REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3cmt_1_A DATA FIRST_RESID 37 DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE XXXXXXXMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR XXXXXXXXNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 37 V HA 0.000 nan 4.120 nan 0.000 0.244 37 V C 0.000 176.096 176.094 0.003 0.000 1.182 37 V CA 0.000 62.303 62.300 0.005 0.000 1.235 37 V CB 0.000 31.826 31.823 0.005 0.000 1.184 38 E N 2.772 122.973 120.200 0.003 0.000 2.199 38 E HA 0.781 5.120 4.350 -0.019 0.000 0.269 38 E C -0.627 175.972 176.600 -0.002 0.000 0.899 38 E CA -0.270 56.130 56.400 0.000 0.000 0.772 38 E CB 2.395 32.095 29.700 -0.001 0.000 1.155 38 E HN 0.868 nan 8.360 nan 0.000 0.408 39 T N 1.143 115.695 114.554 -0.004 0.000 2.942 39 T HA 0.620 4.959 4.350 -0.019 0.000 0.289 39 T C -0.219 174.475 174.700 -0.011 0.000 1.044 39 T CA -0.858 61.238 62.100 -0.006 0.000 1.023 39 T CB 1.090 69.955 68.868 -0.005 0.000 1.123 39 T HN 0.279 nan 8.240 nan 0.000 0.512 40 I N 1.776 122.337 120.570 -0.015 0.000 2.509 40 I HA 0.414 4.573 4.170 -0.019 0.000 0.293 40 I C 0.727 176.829 176.117 -0.026 0.000 1.020 40 I CA -0.721 60.565 61.300 -0.022 0.000 1.088 40 I CB 1.790 39.776 38.000 -0.024 0.000 1.267 40 I HN 0.957 nan 8.210 nan 0.000 0.430 41 S N 2.867 118.546 115.700 -0.035 0.000 2.560 41 S HA 0.063 4.522 4.470 -0.019 0.000 0.284 41 S C 1.355 175.925 174.600 -0.049 0.000 1.327 41 S CA 0.359 58.534 58.200 -0.040 0.000 1.055 41 S CB 0.433 63.596 63.200 -0.061 0.000 0.868 41 S HN 0.795 nan 8.310 nan 0.000 0.506 42 T N 1.471 115.997 114.554 -0.047 0.000 3.081 42 T HA 0.349 4.688 4.350 -0.019 0.000 0.255 42 T C 1.530 176.174 174.700 -0.093 0.000 1.113 42 T CA 0.665 62.731 62.100 -0.057 0.000 1.082 42 T CB -0.339 68.500 68.868 -0.048 0.000 0.939 42 T HN 1.615 nan 8.240 nan 0.000 0.506 43 G N 0.803 109.539 108.800 -0.106 0.000 2.234 43 G HA2 -0.238 3.711 3.960 -0.019 0.000 0.235 43 G HA3 -0.238 3.711 3.960 -0.019 0.000 0.235 43 G C 0.241 175.074 174.900 -0.112 0.000 0.997 43 G CA 0.186 45.199 45.100 -0.146 0.000 0.623 43 G HN 1.053 nan 8.290 nan 0.000 0.514 44 S N 0.031 115.628 115.700 -0.170 0.000 2.437 44 S HA 0.631 5.090 4.470 -0.019 0.000 0.305 44 S C 1.226 175.791 174.600 -0.059 0.000 1.109 44 S CA 0.105 58.157 58.200 -0.245 0.000 1.099 44 S CB 1.530 64.320 63.200 -0.684 0.000 1.004 44 S HN 1.037 nan 8.310 nan 0.000 0.475 45 L N 5.836 127.044 121.223 -0.026 0.000 2.027 45 L HA 0.029 4.358 4.340 -0.019 0.000 0.206 45 L C 2.564 179.410 176.870 -0.041 0.000 1.074 45 L CA 2.695 57.516 54.840 -0.031 0.000 0.745 45 L CB -1.011 40.897 42.059 -0.252 0.000 0.898 45 L HN 0.897 nan 8.230 nan 0.000 0.433 46 S N -1.043 114.630 115.700 -0.045 0.000 2.423 46 S HA -0.193 4.266 4.470 -0.019 0.000 0.231 46 S C 2.099 176.731 174.600 0.053 0.000 1.014 46 S CA 1.341 59.552 58.200 0.019 0.000 0.965 46 S CB -0.966 62.273 63.200 0.065 0.000 0.785 46 S HN 0.514 nan 8.310 nan 0.000 0.495 47 L N 1.371 122.626 121.223 0.053 0.000 2.044 47 L HA -0.095 4.234 4.340 -0.019 0.000 0.205 47 L C 1.988 178.873 176.870 0.025 0.000 1.075 47 L CA 1.922 56.798 54.840 0.061 0.000 0.747 47 L CB -0.616 41.475 42.059 0.053 0.000 0.903 47 L HN 0.238 nan 8.230 nan 0.000 0.435 48 D N 0.126 120.531 120.400 0.008 0.000 2.182 48 D HA -0.202 4.426 4.640 -0.019 0.000 0.201 48 D C 2.135 178.442 176.300 0.011 0.000 0.986 48 D CA 1.366 55.371 54.000 0.008 0.000 0.847 48 D CB -0.054 40.754 40.800 0.013 0.000 0.942 48 D HN 0.396 nan 8.370 nan 0.000 0.467 49 I N 0.926 121.504 120.570 0.013 0.000 2.233 49 I HA -0.190 3.969 4.170 -0.019 0.000 0.243 49 I C 2.507 178.635 176.117 0.018 0.000 1.093 49 I CA 0.912 62.221 61.300 0.014 0.000 1.380 49 I CB -0.238 37.770 38.000 0.012 0.000 1.067 49 I HN -0.097 nan 8.210 nan 0.000 0.413 50 A N 0.827 123.662 122.820 0.025 0.000 1.940 50 A HA -0.184 4.125 4.320 -0.019 0.000 0.219 50 A C 2.265 179.855 177.584 0.011 0.000 1.176 50 A CA 1.528 53.580 52.037 0.026 0.000 0.631 50 A CB -0.976 18.047 19.000 0.039 0.000 0.814 50 A HN 0.422 nan 8.150 nan 0.000 0.446 51 L N -1.561 119.666 121.223 0.007 0.000 2.456 51 L HA 0.016 4.345 4.340 -0.019 0.000 0.224 51 L C 2.164 179.030 176.870 -0.006 0.000 1.148 51 L CA 0.676 55.513 54.840 -0.005 0.000 0.825 51 L CB -0.352 41.705 42.059 -0.003 0.000 0.937 51 L HN 0.661 nan 8.230 nan 0.000 0.450 52 G N -0.276 108.524 108.800 0.001 0.000 2.990 52 G HA2 -0.436 3.513 3.960 -0.019 0.000 0.225 52 G HA3 -0.436 3.513 3.960 -0.019 0.000 0.225 52 G C 1.028 175.930 174.900 0.004 0.000 1.304 52 G CA 0.448 45.550 45.100 0.003 0.000 0.816 52 G HN 0.464 nan 8.290 nan 0.000 0.528 53 A N 0.623 123.443 122.820 0.000 0.000 2.275 53 A HA 0.583 4.892 4.320 -0.019 0.000 0.212 53 A C 2.430 180.016 177.584 0.003 0.000 1.201 53 A CA 1.756 53.794 52.037 0.002 0.000 0.843 53 A CB -0.528 18.472 19.000 -0.001 0.000 0.873 53 A HN 2.625 nan 8.150 nan 0.000 0.492 54 G N -2.617 106.186 108.800 0.004 0.000 2.141 54 G HA2 0.281 4.230 3.960 -0.019 0.000 0.242 54 G HA3 0.281 4.230 3.960 -0.019 0.000 0.242 54 G C 0.864 175.765 174.900 0.002 0.000 0.982 54 G CA 0.335 45.439 45.100 0.006 0.000 0.662 54 G HN 2.193 nan 8.290 nan 0.000 0.527 55 G N -1.593 107.206 108.800 -0.002 0.000 2.341 55 G HA2 0.506 4.455 3.960 -0.019 0.000 0.293 55 G HA3 0.506 4.455 3.960 -0.019 0.000 0.293 55 G C -0.683 174.213 174.900 -0.007 0.000 1.298 55 G CA -0.496 44.600 45.100 -0.007 0.000 0.868 55 G HN 0.888 nan 8.290 nan 0.000 0.540 56 L N 1.791 123.009 121.223 -0.009 0.000 2.397 56 L HA 0.422 4.751 4.340 -0.019 0.000 0.271 56 L C -1.786 175.081 176.870 -0.005 0.000 1.148 56 L CA -1.595 53.242 54.840 -0.006 0.000 0.825 56 L CB 1.287 43.342 42.059 -0.007 0.000 1.117 56 L HN 0.315 nan 8.230 nan 0.000 0.456 57 P HA 0.199 nan 4.420 nan 0.000 0.290 57 P C -0.804 176.498 177.300 0.004 0.000 1.276 57 P CA -0.596 62.505 63.100 0.003 0.000 0.808 57 P CB 0.984 32.688 31.700 0.007 0.000 0.966 58 M N 1.783 121.384 119.600 0.001 0.000 2.238 58 M HA 0.247 4.715 4.480 -0.019 0.000 0.347 58 M C 1.571 177.875 176.300 0.007 0.000 1.173 58 M CA 0.727 56.028 55.300 0.000 0.000 1.147 58 M CB -0.556 32.043 32.600 -0.002 0.000 1.547 58 M HN 0.844 nan 8.290 nan 0.000 0.455 59 G N 2.384 111.188 108.800 0.007 0.000 2.162 59 G HA2 -0.203 3.745 3.960 -0.019 0.000 0.260 59 G HA3 -0.203 3.745 3.960 -0.019 0.000 0.260 59 G C 0.186 175.104 174.900 0.030 0.000 0.976 59 G CA -0.052 45.058 45.100 0.016 0.000 0.655 59 G HN 0.546 nan 8.290 nan 0.000 0.533 60 R N -0.671 119.847 120.500 0.031 0.000 2.902 60 R HA 0.774 5.103 4.340 -0.019 0.000 0.258 60 R C 0.215 176.552 176.300 0.063 0.000 1.071 60 R CA -1.170 54.961 56.100 0.052 0.000 1.024 60 R CB 0.815 31.141 30.300 0.044 0.000 1.184 60 R HN 0.221 nan 8.270 nan 0.000 0.492 61 I N 0.703 121.337 120.570 0.106 0.000 2.392 61 I HA 0.361 4.520 4.170 -0.019 0.000 0.295 61 I C -0.244 175.954 176.117 0.136 0.000 0.985 61 I CA -0.828 60.560 61.300 0.147 0.000 1.221 61 I CB 1.749 39.895 38.000 0.242 0.000 1.366 61 I HN -0.033 nan 8.210 nan 0.000 0.467 62 V N 5.304 125.298 119.914 0.133 0.000 2.789 62 V HA 0.390 4.499 4.120 -0.019 0.000 0.311 62 V C -0.512 175.678 176.094 0.160 0.000 1.073 62 V CA -0.650 61.714 62.300 0.106 0.000 0.921 62 V CB 2.144 33.996 31.823 0.048 0.000 1.009 62 V HN 0.741 nan 8.190 nan 0.000 0.426 63 E N 3.717 124.002 120.200 0.142 0.000 2.210 63 E HA 0.648 4.987 4.350 -0.019 0.000 0.266 63 E C -1.646 175.017 176.600 0.105 0.000 0.883 63 E CA -0.628 55.875 56.400 0.172 0.000 0.761 63 E CB 1.772 31.587 29.700 0.192 0.000 1.156 63 E HN 0.633 nan 8.360 nan 0.000 0.412 64 I N 5.386 126.016 120.570 0.101 0.000 2.389 64 I HA 0.331 4.490 4.170 -0.019 0.000 0.288 64 I C -0.859 175.319 176.117 0.101 0.000 0.999 64 I CA -0.912 60.404 61.300 0.027 0.000 1.129 64 I CB 0.773 38.794 38.000 0.036 0.000 1.288 64 I HN 0.468 nan 8.210 nan 0.000 0.444 65 Y N 4.090 124.427 120.300 0.062 0.000 2.602 65 Y HA 1.017 5.555 4.550 -0.019 0.000 0.342 65 Y C -0.112 175.841 175.900 0.088 0.000 1.029 65 Y CA -1.358 56.777 58.100 0.059 0.000 1.080 65 Y CB 1.792 40.270 38.460 0.030 0.000 1.284 65 Y HN 0.685 nan 8.280 nan 0.000 0.485 66 G N 0.379 109.409 108.800 0.383 0.000 2.316 66 G HA2 0.442 4.391 3.960 -0.019 0.000 0.296 66 G HA3 0.442 4.391 3.960 -0.019 0.000 0.296 66 G C -3.562 171.578 174.900 0.400 0.000 1.399 66 G CA -1.312 43.976 45.100 0.313 0.000 0.833 66 G HN 0.507 nan 8.290 nan 0.000 0.565 67 P HA 0.317 nan 4.420 nan 0.000 0.274 67 P C -0.290 177.003 177.300 -0.011 0.000 1.260 67 P CA -0.307 62.910 63.100 0.197 0.000 0.793 67 P CB 0.262 32.001 31.700 0.064 0.000 1.048 68 E N -0.580 119.227 120.200 -0.655 0.000 2.442 68 E HA 0.159 4.497 4.350 -0.019 0.000 0.262 68 E C 0.110 176.612 176.600 -0.164 0.000 1.004 68 E CA -0.104 55.951 56.400 -0.575 0.000 0.928 68 E CB -0.714 28.503 29.700 -0.805 0.000 0.937 68 E HN 0.279 nan 8.360 nan 0.000 0.446 69 S N 0.587 116.254 115.700 -0.055 0.000 3.533 69 S HA -0.227 4.232 4.470 -0.019 0.000 0.347 69 S C 0.981 175.624 174.600 0.072 0.000 1.101 69 S CA 0.975 59.179 58.200 0.006 0.000 1.009 69 S CB -1.753 61.424 63.200 -0.038 0.000 0.916 69 S HN 0.732 nan 8.310 nan 0.000 0.496 70 S N -0.337 115.416 115.700 0.087 0.000 2.478 70 S HA 0.430 4.889 4.470 -0.019 0.000 0.222 70 S C 1.548 176.223 174.600 0.124 0.000 1.008 70 S CA 0.818 59.079 58.200 0.101 0.000 0.928 70 S CB 0.496 63.756 63.200 0.099 0.000 0.781 70 S HN 1.923 nan 8.310 nan 0.000 0.518 71 G N 1.090 109.978 108.800 0.147 0.000 2.155 71 G HA2 -0.151 3.798 3.960 -0.019 0.000 0.130 71 G HA3 -0.151 3.798 3.960 -0.019 0.000 0.130 71 G C 0.596 175.600 174.900 0.175 0.000 1.027 71 G CA 0.071 45.279 45.100 0.180 0.000 0.705 71 G HN 0.415 nan 8.290 nan 0.000 0.496 72 K N 0.051 120.546 120.400 0.157 0.000 1.985 72 K HA -0.064 4.245 4.320 -0.019 0.000 0.210 72 K C 2.562 179.256 176.600 0.156 0.000 1.047 72 K CA 2.010 58.385 56.287 0.146 0.000 0.932 72 K CB -0.381 32.207 32.500 0.147 0.000 0.716 72 K HN 0.295 nan 8.250 nan 0.000 0.439 73 T N 0.852 115.511 114.554 0.176 0.000 2.708 73 T HA -0.143 4.196 4.350 -0.019 0.000 0.266 73 T C 2.047 176.865 174.700 0.197 0.000 1.037 73 T CA 1.864 64.093 62.100 0.215 0.000 1.146 73 T CB -0.555 68.443 68.868 0.217 0.000 0.865 73 T HN 0.257 nan 8.240 nan 0.000 0.435 74 T N 2.375 117.049 114.554 0.200 0.000 2.635 74 T HA -0.109 4.230 4.350 -0.019 0.000 0.267 74 T C 1.932 176.711 174.700 0.131 0.000 1.040 74 T CA 1.360 63.576 62.100 0.194 0.000 1.156 74 T CB -0.634 68.386 68.868 0.253 0.000 0.863 74 T HN 0.200 nan 8.240 nan 0.000 0.430 75 L N 0.290 121.598 121.223 0.141 0.000 1.989 75 L HA -0.173 4.156 4.340 -0.019 0.000 0.211 75 L C 2.716 179.628 176.870 0.069 0.000 1.071 75 L CA 1.778 56.677 54.840 0.098 0.000 0.749 75 L CB -0.877 41.261 42.059 0.131 0.000 0.890 75 L HN 0.243 nan 8.230 nan 0.000 0.431 76 T N 0.140 114.754 114.554 0.101 0.000 2.620 76 T HA -0.292 4.047 4.350 -0.019 0.000 0.267 76 T C 1.804 176.568 174.700 0.106 0.000 1.044 76 T CA 2.315 64.481 62.100 0.109 0.000 1.161 76 T CB -0.408 68.562 68.868 0.170 0.000 0.862 76 T HN 0.307 nan 8.240 nan 0.000 0.438 77 L N 0.724 122.012 121.223 0.108 0.000 2.083 77 L HA -0.131 4.197 4.340 -0.019 0.000 0.209 77 L C 3.027 179.889 176.870 -0.013 0.000 1.083 77 L CA 1.103 55.965 54.840 0.038 0.000 0.752 77 L CB -0.552 41.497 42.059 -0.017 0.000 0.899 77 L HN 0.249 nan 8.230 nan 0.000 0.433 78 Q N -0.323 119.466 119.800 -0.020 0.000 2.084 78 Q HA -0.191 4.138 4.340 -0.019 0.000 0.202 78 Q C 2.471 178.432 176.000 -0.064 0.000 0.978 78 Q CA 1.985 57.752 55.803 -0.061 0.000 0.844 78 Q CB -0.683 28.012 28.738 -0.072 0.000 0.898 78 Q HN 0.584 nan 8.270 nan 0.000 0.426 79 V N -0.758 119.134 119.914 -0.036 0.000 2.358 79 V HA -0.198 3.911 4.120 -0.019 0.000 0.246 79 V C 2.119 178.193 176.094 -0.033 0.000 1.047 79 V CA 1.207 63.484 62.300 -0.038 0.000 1.035 79 V CB -0.542 31.268 31.823 -0.022 0.000 0.658 79 V HN 0.219 nan 8.190 nan 0.000 0.452 80 I N 1.182 121.746 120.570 -0.010 0.000 2.127 80 I HA -0.214 3.945 4.170 -0.019 0.000 0.241 80 I C 3.015 179.110 176.117 -0.036 0.000 1.075 80 I CA 1.933 63.229 61.300 -0.007 0.000 1.334 80 I CB -0.843 37.174 38.000 0.028 0.000 1.040 80 I HN 0.437 nan 8.210 nan 0.000 0.405 81 A N 0.759 123.546 122.820 -0.053 0.000 1.892 81 A HA -0.280 4.029 4.320 -0.019 0.000 0.218 81 A C 2.533 180.067 177.584 -0.084 0.000 1.188 81 A CA 2.352 54.344 52.037 -0.075 0.000 0.631 81 A CB -1.066 17.877 19.000 -0.095 0.000 0.822 81 A HN 0.476 nan 8.150 nan 0.000 0.447 82 A N -0.439 122.324 122.820 -0.095 0.000 1.902 82 A HA 0.149 4.458 4.320 -0.019 0.000 0.217 82 A C 2.515 180.052 177.584 -0.078 0.000 1.181 82 A CA 2.242 54.215 52.037 -0.107 0.000 0.623 82 A CB -1.019 17.909 19.000 -0.120 0.000 0.818 82 A HN 1.141 nan 8.150 nan 0.000 0.443 83 A N -0.844 121.941 122.820 -0.059 0.000 1.898 83 A HA -0.190 4.119 4.320 -0.019 0.000 0.216 83 A C 2.123 179.682 177.584 -0.041 0.000 1.181 83 A CA 1.583 53.594 52.037 -0.044 0.000 0.620 83 A CB -0.531 18.449 19.000 -0.033 0.000 0.819 83 A HN 0.649 nan 8.150 nan 0.000 0.442 84 Q N -1.196 118.578 119.800 -0.043 0.000 2.119 84 Q HA -0.147 4.182 4.340 -0.019 0.000 0.201 84 Q C 2.228 178.201 176.000 -0.045 0.000 0.972 84 Q CA 1.343 57.122 55.803 -0.039 0.000 0.847 84 Q CB -0.136 28.578 28.738 -0.040 0.000 0.903 84 Q HN 0.541 nan 8.270 nan 0.000 0.433 85 R N 1.088 121.553 120.500 -0.057 0.000 2.249 85 R HA -0.128 4.201 4.340 -0.019 0.000 0.230 85 R C 0.450 176.719 176.300 -0.052 0.000 1.121 85 R CA 1.065 57.128 56.100 -0.061 0.000 0.997 85 R CB 0.200 30.450 30.300 -0.083 0.000 0.867 85 R HN 0.249 nan 8.270 nan 0.000 0.465 86 E N -1.675 118.498 120.200 -0.046 0.000 2.685 86 E HA 0.197 4.536 4.350 -0.019 0.000 0.208 86 E C 0.141 176.723 176.600 -0.029 0.000 0.996 86 E CA 0.270 56.648 56.400 -0.038 0.000 1.054 86 E CB 1.135 30.811 29.700 -0.038 0.000 1.075 86 E HN 0.389 nan 8.360 nan 0.000 0.460 87 G N 2.257 111.040 108.800 -0.028 0.000 2.160 87 G HA2 -0.324 3.625 3.960 -0.019 0.000 0.251 87 G HA3 -0.324 3.625 3.960 -0.019 0.000 0.251 87 G C 0.069 174.957 174.900 -0.020 0.000 1.008 87 G CA 0.298 45.385 45.100 -0.023 0.000 0.724 87 G HN 0.154 nan 8.290 nan 0.000 0.514 88 K N 0.428 120.815 120.400 -0.022 0.000 2.118 88 K HA 0.506 4.815 4.320 -0.019 0.000 0.267 88 K C 0.136 176.726 176.600 -0.017 0.000 0.991 88 K CA -0.290 55.986 56.287 -0.019 0.000 0.916 88 K CB 1.005 33.493 32.500 -0.021 0.000 1.041 88 K HN 0.117 nan 8.250 nan 0.000 0.455 89 T N 1.725 116.271 114.554 -0.013 0.000 2.806 89 T HA 0.289 4.628 4.350 -0.019 0.000 0.290 89 T C -0.275 174.420 174.700 -0.009 0.000 0.966 89 T CA -0.510 61.584 62.100 -0.010 0.000 1.060 89 T CB 0.261 69.124 68.868 -0.007 0.000 0.927 89 T HN 0.530 nan 8.240 nan 0.000 0.485 90 C N 2.407 121.705 119.300 -0.003 0.000 2.634 90 C HA 0.943 5.392 4.460 -0.019 0.000 0.313 90 C C 0.364 175.366 174.990 0.020 0.000 1.198 90 C CA -0.996 58.025 59.018 0.005 0.000 1.605 90 C CB 0.886 28.634 27.740 0.014 0.000 2.196 90 C HN 1.050 nan 8.230 nan 0.000 0.486 91 A N 1.438 124.269 122.820 0.018 0.000 2.386 91 A HA 0.866 5.175 4.320 -0.019 0.000 0.311 91 A C -1.396 176.227 177.584 0.065 0.000 1.068 91 A CA -0.267 51.789 52.037 0.032 0.000 0.743 91 A CB 0.951 19.944 19.000 -0.011 0.000 1.258 91 A HN 0.833 nan 8.150 nan 0.000 0.429 92 F N 3.482 123.395 119.950 -0.061 0.000 2.460 92 F HA 0.562 5.078 4.527 -0.019 0.000 0.341 92 F C -0.708 175.046 175.800 -0.076 0.000 1.130 92 F CA -0.875 57.084 58.000 -0.067 0.000 0.962 92 F CB 1.276 40.245 39.000 -0.051 0.000 1.171 92 F HN 0.379 nan 8.300 nan 0.000 0.436 93 I N 4.900 125.248 120.570 -0.369 0.000 2.307 93 I HA 0.130 4.289 4.170 -0.019 0.000 0.287 93 I C -0.229 175.721 176.117 -0.277 0.000 1.054 93 I CA -0.334 60.824 61.300 -0.236 0.000 1.218 93 I CB 0.602 38.463 38.000 -0.232 0.000 1.398 93 I HN 0.514 nan 8.210 nan 0.000 0.475 94 D N 5.362 125.747 120.400 -0.026 0.000 2.631 94 D HA 0.364 4.993 4.640 -0.019 0.000 0.227 94 D C 1.241 177.438 176.300 -0.172 0.000 1.146 94 D CA -0.096 53.935 54.000 0.052 0.000 1.009 94 D CB 0.836 41.767 40.800 0.218 0.000 1.057 94 D HN 0.597 nan 8.370 nan 0.000 0.509 95 A N 2.286 125.037 122.820 -0.116 0.000 2.067 95 A HA -0.106 4.203 4.320 -0.019 0.000 0.219 95 A C 1.902 179.572 177.584 0.143 0.000 1.158 95 A CA 0.757 52.772 52.037 -0.036 0.000 0.661 95 A CB -0.206 18.802 19.000 0.013 0.000 0.801 95 A HN 0.523 nan 8.150 nan 0.000 0.452 96 E N -1.124 119.133 120.200 0.095 0.000 2.435 96 E HA -0.073 4.266 4.350 -0.019 0.000 0.195 96 E C -0.493 176.273 176.600 0.276 0.000 1.029 96 E CA 0.003 56.496 56.400 0.154 0.000 0.865 96 E CB -0.117 29.601 29.700 0.031 0.000 0.833 96 E HN 0.686 nan 8.360 nan 0.000 0.510 97 H N -1.982 117.157 119.070 0.115 0.000 2.756 97 H HA -0.206 4.339 4.556 -0.019 0.000 0.315 97 H C 0.010 175.395 175.328 0.095 0.000 1.210 97 H CA 0.614 56.726 56.048 0.106 0.000 1.150 97 H CB -1.382 28.441 29.762 0.102 0.000 1.463 97 H HN 0.266 nan 8.280 nan 0.000 0.427 98 A N 0.303 123.213 122.820 0.151 0.000 2.704 98 A HA 0.223 4.532 4.320 -0.019 0.000 0.260 98 A C 0.457 178.079 177.584 0.062 0.000 1.144 98 A CA -0.381 51.719 52.037 0.106 0.000 0.985 98 A CB 0.731 19.790 19.000 0.098 0.000 1.256 98 A HN 0.141 nan 8.150 nan 0.000 0.598 99 L N 1.414 122.667 121.223 0.050 0.000 2.462 99 L HA 0.405 4.734 4.340 -0.019 0.000 0.272 99 L C -0.540 176.310 176.870 -0.033 0.000 1.166 99 L CA 0.246 55.065 54.840 -0.035 0.000 0.880 99 L CB 0.507 42.470 42.059 -0.161 0.000 1.142 99 L HN 0.221 nan 8.230 nan 0.000 0.473 100 D N 7.271 127.660 120.400 -0.019 0.000 2.412 100 D HA 0.328 4.957 4.640 -0.019 0.000 0.224 100 D C -1.816 174.488 176.300 0.008 0.000 1.093 100 D CA -2.244 51.761 54.000 0.009 0.000 0.850 100 D CB 1.546 42.364 40.800 0.031 0.000 1.046 100 D HN 0.348 nan 8.370 nan 0.000 0.507 101 P HA -0.164 nan 4.420 nan 0.000 0.215 101 P C 1.662 178.953 177.300 -0.015 0.000 1.153 101 P CA 0.669 63.744 63.100 -0.042 0.000 0.853 101 P CB 0.527 32.207 31.700 -0.034 0.000 0.788 102 I N -1.690 118.891 120.570 0.017 0.000 2.286 102 I HA -0.240 3.918 4.170 -0.019 0.000 0.248 102 I C 2.675 178.829 176.117 0.063 0.000 1.115 102 I CA 1.418 62.737 61.300 0.031 0.000 1.392 102 I CB -1.105 36.918 38.000 0.039 0.000 1.065 102 I HN -0.135 nan 8.210 nan 0.000 0.418 103 Y N 1.022 121.299 120.300 -0.039 0.000 2.263 103 Y HA -0.145 4.394 4.550 -0.018 0.000 0.292 103 Y C 2.436 178.311 175.900 -0.042 0.000 1.130 103 Y CA 1.107 59.189 58.100 -0.031 0.000 1.179 103 Y CB -0.488 37.955 38.460 -0.028 0.000 0.998 103 Y HN 0.125 nan 8.280 nan 0.000 0.532 104 A N 0.754 123.535 122.820 -0.064 0.000 1.908 104 A HA -0.228 4.081 4.320 -0.019 0.000 0.218 104 A C 2.432 179.914 177.584 -0.171 0.000 1.181 104 A CA 1.829 53.770 52.037 -0.161 0.000 0.627 104 A CB -0.775 18.132 19.000 -0.155 0.000 0.818 104 A HN 0.473 nan 8.150 nan 0.000 0.445 105 R N -0.126 120.303 120.500 -0.119 0.000 2.081 105 R HA -0.129 4.200 4.340 -0.019 0.000 0.235 105 R C 2.076 178.303 176.300 -0.123 0.000 1.131 105 R CA 1.856 57.896 56.100 -0.099 0.000 0.960 105 R CB -0.308 29.956 30.300 -0.060 0.000 0.856 105 R HN 0.542 nan 8.270 nan 0.000 0.436 106 K N 0.267 120.576 120.400 -0.151 0.000 2.152 106 K HA -0.092 4.217 4.320 -0.019 0.000 0.206 106 K C 1.866 178.333 176.600 -0.221 0.000 1.048 106 K CA 1.164 57.351 56.287 -0.166 0.000 0.933 106 K CB -0.062 32.339 32.500 -0.165 0.000 0.721 106 K HN 0.234 nan 8.250 nan 0.000 0.447 107 L N -0.484 120.548 121.223 -0.318 0.000 2.610 107 L HA 0.067 4.396 4.340 -0.019 0.000 0.232 107 L C 0.996 177.766 176.870 -0.167 0.000 1.149 107 L CA 0.461 55.142 54.840 -0.265 0.000 0.872 107 L CB -0.112 41.755 42.059 -0.319 0.000 0.992 107 L HN 0.462 nan 8.230 nan 0.000 0.447 108 G N 0.094 108.810 108.800 -0.141 0.000 2.131 108 G HA2 -0.225 3.724 3.960 -0.019 0.000 0.223 108 G HA3 -0.225 3.724 3.960 -0.019 0.000 0.223 108 G C 0.112 174.953 174.900 -0.098 0.000 0.990 108 G CA -0.133 44.903 45.100 -0.107 0.000 0.671 108 G HN 0.088 nan 8.290 nan 0.000 0.521 109 V N 1.116 120.967 119.914 -0.106 0.000 2.530 109 V HA 0.365 4.474 4.120 -0.019 0.000 0.282 109 V C 0.677 176.727 176.094 -0.074 0.000 1.048 109 V CA -0.113 62.134 62.300 -0.089 0.000 0.997 109 V CB 1.677 33.438 31.823 -0.102 0.000 0.987 109 V HN 0.375 nan 8.190 nan 0.000 0.477 110 D N 4.640 125.004 120.400 -0.059 0.000 2.383 110 D HA 0.087 4.715 4.640 -0.019 0.000 0.245 110 D C 1.067 177.340 176.300 -0.045 0.000 1.263 110 D CA -0.264 53.708 54.000 -0.048 0.000 0.936 110 D CB 0.484 41.260 40.800 -0.039 0.000 1.053 110 D HN 0.282 nan 8.370 nan 0.000 0.507 111 I N 2.672 123.213 120.570 -0.048 0.000 2.226 111 I HA -0.212 3.946 4.170 -0.019 0.000 0.245 111 I C 1.490 177.588 176.117 -0.033 0.000 1.100 111 I CA 0.987 62.259 61.300 -0.047 0.000 1.374 111 I CB -0.647 37.325 38.000 -0.046 0.000 1.057 111 I HN 0.404 nan 8.210 nan 0.000 0.413 112 D N 0.683 121.068 120.400 -0.026 0.000 2.310 112 D HA -0.110 4.519 4.640 -0.019 0.000 0.212 112 D C 1.450 177.741 176.300 -0.014 0.000 0.965 112 D CA 0.765 54.754 54.000 -0.018 0.000 0.879 112 D CB -0.085 40.706 40.800 -0.016 0.000 0.921 112 D HN 0.400 nan 8.370 nan 0.000 0.510 113 N N -0.121 118.569 118.700 -0.017 0.000 2.181 113 N HA 0.023 4.752 4.740 -0.019 0.000 0.207 113 N C 0.308 175.813 175.510 -0.008 0.000 1.182 113 N CA -0.213 52.830 53.050 -0.012 0.000 0.893 113 N CB 1.312 39.791 38.487 -0.014 0.000 1.032 113 N HN 0.151 nan 8.380 nan 0.000 0.513 114 L N 2.868 124.084 121.223 -0.012 0.000 2.407 114 L HA 0.249 4.578 4.340 -0.019 0.000 0.282 114 L C -0.199 176.677 176.870 0.011 0.000 1.110 114 L CA -0.022 54.817 54.840 -0.002 0.000 0.863 114 L CB -0.103 41.944 42.059 -0.020 0.000 1.207 114 L HN -0.004 nan 8.230 nan 0.000 0.454 115 L N 5.370 126.606 121.223 0.023 0.000 2.490 115 L HA 0.076 4.405 4.340 -0.019 0.000 0.274 115 L C 0.101 177.004 176.870 0.055 0.000 1.201 115 L CA 0.301 55.158 54.840 0.029 0.000 0.869 115 L CB 0.881 42.953 42.059 0.022 0.000 1.123 115 L HN 0.710 nan 8.230 nan 0.000 0.484 116 C N 3.112 122.441 119.300 0.049 0.000 2.701 116 C HA 0.645 5.094 4.460 -0.019 0.000 0.336 116 C C -0.344 174.674 174.990 0.046 0.000 1.123 116 C CA -0.443 58.620 59.018 0.075 0.000 1.326 116 C CB 1.485 29.258 27.740 0.054 0.000 1.833 116 C HN 0.811 nan 8.230 nan 0.000 0.473 117 S N 3.818 119.544 115.700 0.042 0.000 2.536 117 S HA 0.614 5.073 4.470 -0.019 0.000 0.287 117 S C -1.245 173.332 174.600 -0.038 0.000 1.101 117 S CA -0.281 57.917 58.200 -0.002 0.000 0.950 117 S CB 1.519 64.701 63.200 -0.031 0.000 1.056 117 S HN 0.849 nan 8.310 nan 0.000 0.481 118 Q N 4.142 123.907 119.800 -0.057 0.000 2.571 118 Q HA 0.338 4.667 4.340 -0.019 0.000 0.243 118 Q C -2.414 173.557 176.000 -0.049 0.000 1.055 118 Q CA -1.877 53.828 55.803 -0.163 0.000 0.815 118 Q CB 1.541 30.180 28.738 -0.165 0.000 1.151 118 Q HN 0.531 nan 8.270 nan 0.000 0.519 119 P HA 0.064 nan 4.420 nan 0.000 0.274 119 P C -0.283 177.069 177.300 0.087 0.000 1.237 119 P CA -0.152 62.933 63.100 -0.025 0.000 0.793 119 P CB 1.501 33.146 31.700 -0.091 0.000 0.977 120 D N -0.255 120.172 120.400 0.046 0.000 2.146 120 D HA -0.026 4.603 4.640 -0.019 0.000 0.209 120 D C 0.986 177.312 176.300 0.043 0.000 0.973 120 D CA 1.595 55.635 54.000 0.067 0.000 0.860 120 D CB -0.423 40.406 40.800 0.048 0.000 1.015 120 D HN 0.515 nan 8.370 nan 0.000 0.465 121 T N -2.793 111.762 114.554 0.002 0.000 2.952 121 T HA 0.530 4.868 4.350 -0.019 0.000 0.286 121 T C 1.388 176.073 174.700 -0.025 0.000 1.024 121 T CA -0.365 61.730 62.100 -0.008 0.000 1.029 121 T CB 1.907 70.767 68.868 -0.013 0.000 1.094 121 T HN -0.001 nan 8.240 nan 0.000 0.515 122 G N 0.273 109.063 108.800 -0.017 0.000 2.408 122 G HA2 -0.110 3.838 3.960 -0.019 0.000 0.217 122 G HA3 -0.110 3.838 3.960 -0.019 0.000 0.217 122 G C 1.162 176.040 174.900 -0.037 0.000 1.150 122 G CA 0.578 45.667 45.100 -0.019 0.000 0.776 122 G HN 0.792 nan 8.290 nan 0.000 0.542 123 E N 0.003 120.181 120.200 -0.037 0.000 2.058 123 E HA -0.138 4.201 4.350 -0.019 0.000 0.194 123 E C 2.423 178.973 176.600 -0.083 0.000 0.997 123 E CA 1.260 57.640 56.400 -0.034 0.000 0.801 123 E CB -0.252 29.445 29.700 -0.005 0.000 0.746 123 E HN 0.608 nan 8.360 nan 0.000 0.450 124 Q N 0.116 119.824 119.800 -0.153 0.000 2.061 124 Q HA -0.231 4.098 4.340 -0.019 0.000 0.204 124 Q C 2.157 177.928 176.000 -0.381 0.000 0.984 124 Q CA 1.705 57.260 55.803 -0.414 0.000 0.846 124 Q CB -0.225 28.264 28.738 -0.415 0.000 0.902 124 Q HN 0.310 nan 8.270 nan 0.000 0.421 125 A N 0.698 123.393 122.820 -0.208 0.000 1.892 125 A HA -0.202 4.107 4.320 -0.019 0.000 0.218 125 A C 2.031 179.548 177.584 -0.113 0.000 1.188 125 A CA 1.661 53.609 52.037 -0.148 0.000 0.631 125 A CB -0.747 18.206 19.000 -0.077 0.000 0.822 125 A HN 0.463 nan 8.150 nan 0.000 0.447 126 L N -1.206 119.976 121.223 -0.068 0.000 2.179 126 L HA -0.056 4.273 4.340 -0.019 0.000 0.208 126 L C 2.527 179.381 176.870 -0.026 0.000 1.096 126 L CA 0.772 55.601 54.840 -0.018 0.000 0.779 126 L CB -0.425 41.643 42.059 0.014 0.000 0.922 126 L HN 0.262 nan 8.230 nan 0.000 0.443 127 E N 0.537 120.708 120.200 -0.049 0.000 2.153 127 E HA -0.157 4.181 4.350 -0.019 0.000 0.194 127 E C 2.282 178.893 176.600 0.019 0.000 0.988 127 E CA 1.174 57.584 56.400 0.017 0.000 0.811 127 E CB -0.049 29.715 29.700 0.107 0.000 0.746 127 E HN 0.504 nan 8.360 nan 0.000 0.466 128 I N 0.121 120.634 120.570 -0.095 0.000 2.252 128 I HA -0.316 3.843 4.170 -0.019 0.000 0.245 128 I C 2.524 178.624 176.117 -0.028 0.000 1.102 128 I CA 0.659 61.926 61.300 -0.055 0.000 1.385 128 I CB -0.241 37.678 38.000 -0.136 0.000 1.064 128 I HN 0.124 nan 8.210 nan 0.000 0.414 129 C N 0.419 119.687 119.300 -0.053 0.000 2.413 129 C HA -0.230 4.219 4.460 -0.019 0.000 0.276 129 C C 2.587 177.564 174.990 -0.021 0.000 1.236 129 C CA 1.375 60.360 59.018 -0.054 0.000 1.735 129 C CB -0.989 26.711 27.740 -0.067 0.000 2.031 129 C HN 0.542 nan 8.230 nan 0.000 0.474 130 D N 0.358 120.759 120.400 0.001 0.000 2.117 130 D HA -0.081 4.548 4.640 -0.019 0.000 0.197 130 D C 2.190 178.504 176.300 0.024 0.000 0.987 130 D CA 1.619 55.628 54.000 0.016 0.000 0.829 130 D CB -0.219 40.598 40.800 0.027 0.000 0.961 130 D HN 0.411 nan 8.370 nan 0.000 0.460 131 A N 0.097 122.941 122.820 0.040 0.000 1.883 131 A HA -0.129 4.179 4.320 -0.019 0.000 0.217 131 A C 2.431 180.032 177.584 0.027 0.000 1.186 131 A CA 1.233 53.298 52.037 0.048 0.000 0.624 131 A CB -0.858 18.194 19.000 0.086 0.000 0.822 131 A HN 0.348 nan 8.150 nan 0.000 0.444 132 L N -0.928 120.304 121.223 0.015 0.000 2.056 132 L HA -0.156 4.173 4.340 -0.019 0.000 0.207 132 L C 3.114 179.982 176.870 -0.004 0.000 1.078 132 L CA 0.904 55.745 54.840 0.002 0.000 0.749 132 L CB -0.672 41.380 42.059 -0.013 0.000 0.901 132 L HN 0.445 nan 8.230 nan 0.000 0.433 133 A N 0.362 123.178 122.820 -0.007 0.000 1.851 133 A HA -0.244 4.065 4.320 -0.019 0.000 0.216 133 A C 2.409 179.995 177.584 0.003 0.000 1.195 133 A CA 1.752 53.786 52.037 -0.005 0.000 0.622 133 A CB -0.614 18.384 19.000 -0.004 0.000 0.831 133 A HN 0.289 nan 8.150 nan 0.000 0.444 134 R N 0.009 120.514 120.500 0.009 0.000 2.105 134 R HA -0.147 4.182 4.340 -0.019 0.000 0.239 134 R C 2.622 178.928 176.300 0.010 0.000 1.135 134 R CA 1.679 57.786 56.100 0.011 0.000 0.967 134 R CB -0.435 29.874 30.300 0.016 0.000 0.861 134 R HN 0.771 nan 8.270 nan 0.000 0.442 135 S N -0.645 115.060 115.700 0.010 0.000 2.400 135 S HA -0.093 4.366 4.470 -0.019 0.000 0.232 135 S C 1.652 176.255 174.600 0.005 0.000 1.025 135 S CA 1.164 59.369 58.200 0.008 0.000 0.993 135 S CB -0.288 62.917 63.200 0.009 0.000 0.808 135 S HN 0.550 nan 8.310 nan 0.000 0.478 136 G N 0.530 109.332 108.800 0.003 0.000 2.155 136 G HA2 -0.194 3.755 3.960 -0.019 0.000 0.257 136 G HA3 -0.194 3.755 3.960 -0.019 0.000 0.257 136 G C 0.734 175.633 174.900 -0.001 0.000 0.983 136 G CA 0.375 45.476 45.100 0.001 0.000 0.676 136 G HN 1.420 nan 8.290 nan 0.000 0.528 137 A N -1.227 121.593 122.820 -0.001 0.000 2.197 137 A HA 0.679 4.988 4.320 -0.019 0.000 0.210 137 A C 0.998 178.579 177.584 -0.004 0.000 1.180 137 A CA 1.221 53.257 52.037 -0.002 0.000 0.846 137 A CB 0.617 19.618 19.000 0.001 0.000 0.884 137 A HN 0.972 nan 8.150 nan 0.000 0.487 138 V N 1.014 120.924 119.914 -0.007 0.000 2.472 138 V HA 0.232 4.341 4.120 -0.019 0.000 0.290 138 V C 0.138 176.223 176.094 -0.015 0.000 1.037 138 V CA -0.503 61.790 62.300 -0.012 0.000 0.908 138 V CB 1.617 33.431 31.823 -0.015 0.000 0.985 138 V HN 0.392 nan 8.190 nan 0.000 0.454 139 D N 1.795 122.185 120.400 -0.017 0.000 2.338 139 D HA 0.075 4.704 4.640 -0.019 0.000 0.224 139 D C 0.361 176.646 176.300 -0.025 0.000 0.967 139 D CA 1.173 55.162 54.000 -0.018 0.000 0.896 139 D CB 1.463 42.253 40.800 -0.016 0.000 1.028 139 D HN 0.405 nan 8.370 nan 0.000 0.493 140 V N 1.070 120.967 119.914 -0.029 0.000 2.577 140 V HA 0.479 4.588 4.120 -0.019 0.000 0.303 140 V C -1.442 174.620 176.094 -0.054 0.000 1.042 140 V CA -0.723 61.552 62.300 -0.041 0.000 0.872 140 V CB 1.886 33.689 31.823 -0.033 0.000 0.998 140 V HN -0.094 nan 8.190 nan 0.000 0.423 141 I N 6.860 127.373 120.570 -0.095 0.000 2.433 141 I HA 0.646 4.805 4.170 -0.019 0.000 0.292 141 I C -0.408 175.576 176.117 -0.222 0.000 1.001 141 I CA -1.034 60.181 61.300 -0.142 0.000 1.119 141 I CB 1.962 39.864 38.000 -0.165 0.000 1.289 141 I HN 0.628 nan 8.210 nan 0.000 0.438 142 V N 6.962 126.717 119.914 -0.265 0.000 2.495 142 V HA 0.585 4.694 4.120 -0.019 0.000 0.298 142 V C -0.781 174.959 176.094 -0.589 0.000 1.031 142 V CA -0.375 61.689 62.300 -0.395 0.000 0.871 142 V CB 2.041 33.696 31.823 -0.280 0.000 0.988 142 V HN 0.443 nan 8.190 nan 0.000 0.432 143 V N 5.659 125.243 119.914 -0.550 0.000 2.328 143 V HA 0.395 4.504 4.120 -0.019 0.000 0.278 143 V C -0.139 175.758 176.094 -0.330 0.000 1.021 143 V CA -0.348 61.684 62.300 -0.447 0.000 0.838 143 V CB 1.179 32.791 31.823 -0.353 0.000 0.999 143 V HN 0.977 nan 8.190 nan 0.000 0.447 144 D N 3.647 123.803 120.400 -0.407 0.000 2.365 144 D HA 0.297 4.926 4.640 -0.019 0.000 0.237 144 D C 0.049 176.310 176.300 -0.066 0.000 1.190 144 D CA 0.657 54.540 54.000 -0.195 0.000 0.867 144 D CB 0.690 41.435 40.800 -0.091 0.000 1.050 144 D HN 0.641 nan 8.370 nan 0.000 0.491 145 S N 1.346 117.032 115.700 -0.024 0.000 3.392 145 S HA -0.151 4.308 4.470 -0.019 0.000 0.693 145 S C 1.181 175.792 174.600 0.018 0.000 0.620 145 S CA 0.343 58.528 58.200 -0.024 0.000 1.452 145 S CB -1.019 62.126 63.200 -0.091 0.000 0.988 145 S HN 0.535 nan 8.310 nan 0.000 0.932 146 V N 2.430 122.370 119.914 0.043 0.000 2.515 146 V HA -0.014 4.095 4.120 -0.019 0.000 0.250 146 V C 2.333 178.425 176.094 -0.005 0.000 1.058 146 V CA 2.333 64.649 62.300 0.027 0.000 1.064 146 V CB -1.091 30.702 31.823 -0.051 0.000 0.675 146 V HN 1.447 nan 8.190 nan 0.000 0.461 147 A N 0.754 123.554 122.820 -0.032 0.000 1.958 147 A HA -0.061 4.248 4.320 -0.019 0.000 0.221 147 A C 2.365 180.007 177.584 0.097 0.000 1.178 147 A CA 2.542 54.570 52.037 -0.014 0.000 0.642 147 A CB -0.998 17.938 19.000 -0.107 0.000 0.816 147 A HN 1.237 nan 8.150 nan 0.000 0.453 148 A N -1.664 121.216 122.820 0.101 0.000 2.275 148 A HA 0.443 4.752 4.320 -0.019 0.000 0.212 148 A C 0.548 178.209 177.584 0.127 0.000 1.201 148 A CA -0.120 52.037 52.037 0.200 0.000 0.843 148 A CB -0.141 18.980 19.000 0.202 0.000 0.873 148 A HN 0.285 nan 8.150 nan 0.000 0.492 149 L N 2.549 123.815 121.223 0.070 0.000 2.451 149 L HA 0.128 4.457 4.340 -0.019 0.000 0.272 149 L C 0.062 176.946 176.870 0.023 0.000 1.258 149 L CA 0.693 55.558 54.840 0.041 0.000 1.132 149 L CB -1.052 41.022 42.059 0.025 0.000 1.361 149 L HN 0.103 nan 8.230 nan 0.000 0.438 150 T N 4.437 119.008 114.554 0.029 0.000 2.737 150 T HA 0.243 4.582 4.350 -0.019 0.000 0.296 150 T C -2.180 172.502 174.700 -0.030 0.000 0.922 150 T CA -1.182 60.917 62.100 -0.001 0.000 1.079 150 T CB 0.542 69.412 68.868 0.004 0.000 0.892 150 T HN 0.206 nan 8.240 nan 0.000 0.514 151 P HA 0.055 nan 4.420 nan 0.000 0.266 151 P C 0.906 178.151 177.300 -0.093 0.000 1.193 151 P CA -0.258 62.796 63.100 -0.076 0.000 0.770 151 P CB 0.724 32.360 31.700 -0.107 0.000 0.836 152 K N 2.831 123.192 120.400 -0.065 0.000 2.063 152 K HA -0.200 4.109 4.320 -0.019 0.000 0.208 152 K C 1.812 178.366 176.600 -0.078 0.000 1.048 152 K CA 1.804 58.063 56.287 -0.048 0.000 0.928 152 K CB -0.597 31.893 32.500 -0.015 0.000 0.713 152 K HN 0.466 nan 8.250 nan 0.000 0.442 153 A N 0.854 123.604 122.820 -0.117 0.000 1.972 153 A HA -0.207 4.102 4.320 -0.019 0.000 0.219 153 A C 1.957 179.345 177.584 -0.326 0.000 1.169 153 A CA 1.782 53.731 52.037 -0.145 0.000 0.635 153 A CB -0.469 18.467 19.000 -0.107 0.000 0.810 153 A HN 0.562 nan 8.150 nan 0.000 0.446 154 E N -0.309 119.587 120.200 -0.508 0.000 2.107 154 E HA -0.112 4.227 4.350 -0.019 0.000 0.191 154 E C 1.751 178.266 176.600 -0.141 0.000 0.982 154 E CA 1.045 57.125 56.400 -0.534 0.000 0.809 154 E CB -0.179 29.292 29.700 -0.380 0.000 0.756 154 E HN 0.668 nan 8.360 nan 0.000 0.459 155 I N 0.745 121.258 120.570 -0.095 0.000 2.353 155 I HA -0.196 3.963 4.170 -0.019 0.000 0.248 155 I C 2.243 178.358 176.117 -0.003 0.000 1.119 155 I CA 1.038 62.320 61.300 -0.031 0.000 1.417 155 I CB -0.108 37.878 38.000 -0.023 0.000 1.078 155 I HN 0.128 nan 8.210 nan 0.000 0.421 156 E N 0.641 120.838 120.200 -0.005 0.000 2.106 156 E HA -0.047 4.292 4.350 -0.019 0.000 0.192 156 E C 1.315 177.943 176.600 0.047 0.000 0.984 156 E CA 0.664 57.075 56.400 0.020 0.000 0.806 156 E CB -0.103 29.608 29.700 0.018 0.000 0.750 156 E HN 0.489 nan 8.360 nan 0.000 0.458 157 G N 0.619 109.468 108.800 0.082 0.000 2.562 157 G HA2 0.119 4.067 3.960 -0.019 0.000 0.275 157 G HA3 0.119 4.067 3.960 -0.019 0.000 0.275 157 G C -0.453 174.522 174.900 0.124 0.000 1.196 157 G CA -0.575 44.608 45.100 0.137 0.000 0.908 157 G HN 0.021 nan 8.290 nan 0.000 0.524 158 E N -0.864 119.400 120.200 0.106 0.000 2.392 158 E HA 0.098 4.437 4.350 -0.019 0.000 0.259 158 E C -0.055 176.603 176.600 0.097 0.000 1.108 158 E CA -0.022 56.436 56.400 0.097 0.000 0.916 158 E CB 1.292 31.048 29.700 0.092 0.000 0.989 158 E HN 0.256 nan 8.360 nan 0.000 0.432 159 I N 1.356 121.975 120.570 0.081 0.000 2.505 159 I HA 0.153 4.312 4.170 -0.019 0.000 0.287 159 I C 1.014 177.157 176.117 0.043 0.000 1.104 159 I CA 0.682 62.017 61.300 0.057 0.000 1.387 159 I CB 0.244 38.264 38.000 0.035 0.000 1.404 159 I HN 0.780 nan 8.210 nan 0.000 0.528 160 G N 3.550 112.367 108.800 0.028 0.000 2.186 160 G HA2 -0.150 3.798 3.960 -0.019 0.000 0.130 160 G HA3 -0.150 3.798 3.960 -0.019 0.000 0.130 160 G C -0.629 174.255 174.900 -0.026 0.000 1.031 160 G CA -0.813 44.288 45.100 0.003 0.000 0.697 160 G HN 0.543 nan 8.290 nan 0.000 0.494 161 D N 0.303 120.668 120.400 -0.057 0.000 2.375 161 D HA 0.514 5.143 4.640 -0.019 0.000 0.247 161 D C 0.210 176.283 176.300 -0.378 0.000 1.061 161 D CA -0.183 53.690 54.000 -0.211 0.000 0.834 161 D CB 1.718 42.379 40.800 -0.232 0.000 1.247 161 D HN 0.033 nan 8.370 nan 0.000 0.489 162 S N 2.334 117.838 115.700 -0.327 0.000 3.829 162 S HA -0.015 4.444 4.470 -0.019 0.000 0.250 162 S C -0.196 174.240 174.600 -0.272 0.000 1.263 162 S CA -0.445 57.621 58.200 -0.223 0.000 0.955 162 S CB -0.652 62.477 63.200 -0.120 0.000 1.611 162 S HN 0.242 nan 8.310 nan 0.000 0.483 163 H N 4.550 123.622 119.070 0.002 0.000 2.820 163 H HA 0.189 4.734 4.556 -0.018 0.000 0.248 163 H C 0.072 175.400 175.328 -0.000 0.000 1.714 163 H CA -0.051 55.998 56.048 0.001 0.000 1.334 163 H CB -0.166 29.597 29.762 0.001 0.000 1.693 163 H HN 0.491 nan 8.280 nan 0.000 0.548 164 M N 0.851 120.490 119.600 0.066 0.000 2.143 164 M HA 0.144 4.613 4.480 -0.019 0.000 0.348 164 M C 1.022 177.348 176.300 0.043 0.000 1.375 164 M CA 0.447 55.772 55.300 0.042 0.000 1.124 164 M CB 1.100 33.710 32.600 0.018 0.000 1.669 164 M HN 0.875 nan 8.290 nan 0.000 0.469 165 G N 2.711 111.532 108.800 0.036 0.000 2.205 165 G HA2 -0.296 3.653 3.960 -0.019 0.000 0.261 165 G HA3 -0.296 3.653 3.960 -0.019 0.000 0.261 165 G C 0.682 175.596 174.900 0.022 0.000 0.980 165 G CA 0.520 45.635 45.100 0.025 0.000 0.632 165 G HN 0.704 nan 8.290 nan 0.000 0.533 166 L N 0.287 121.532 121.223 0.037 0.000 2.012 166 L HA 0.061 4.390 4.340 -0.019 0.000 0.210 166 L C 3.212 180.080 176.870 -0.003 0.000 1.073 166 L CA 2.630 57.484 54.840 0.024 0.000 0.748 166 L CB -0.402 41.681 42.059 0.039 0.000 0.891 166 L HN 0.485 nan 8.230 nan 0.000 0.431 167 A N -0.919 121.897 122.820 -0.007 0.000 1.968 167 A HA -0.078 4.230 4.320 -0.019 0.000 0.217 167 A C 2.382 179.948 177.584 -0.030 0.000 1.169 167 A CA 1.345 53.368 52.037 -0.023 0.000 0.638 167 A CB -0.652 18.335 19.000 -0.021 0.000 0.812 167 A HN 0.511 nan 8.150 nan 0.000 0.446 168 A N -0.151 122.657 122.820 -0.020 0.000 1.902 168 A HA -0.148 4.161 4.320 -0.019 0.000 0.217 168 A C 2.235 179.805 177.584 -0.024 0.000 1.181 168 A CA 1.693 53.717 52.037 -0.022 0.000 0.623 168 A CB -0.445 18.551 19.000 -0.006 0.000 0.818 168 A HN 0.512 nan 8.150 nan 0.000 0.443 169 R N -1.030 119.461 120.500 -0.015 0.000 2.092 169 R HA -0.046 4.283 4.340 -0.019 0.000 0.231 169 R C 2.252 178.536 176.300 -0.027 0.000 1.119 169 R CA 1.500 57.591 56.100 -0.015 0.000 0.970 169 R CB -0.276 30.021 30.300 -0.004 0.000 0.864 169 R HN 0.655 nan 8.270 nan 0.000 0.440 170 M N -0.407 119.175 119.600 -0.031 0.000 2.099 170 M HA -0.178 4.291 4.480 -0.019 0.000 0.262 170 M C 1.709 177.973 176.300 -0.060 0.000 1.067 170 M CA 1.481 56.758 55.300 -0.038 0.000 1.124 170 M CB 0.051 32.631 32.600 -0.034 0.000 1.353 170 M HN 0.187 nan 8.290 nan 0.000 0.410 171 M N -0.376 119.177 119.600 -0.078 0.000 2.108 171 M HA -0.178 4.291 4.480 -0.019 0.000 0.261 171 M C 2.444 178.660 176.300 -0.139 0.000 1.066 171 M CA 1.599 56.821 55.300 -0.129 0.000 1.107 171 M CB -1.414 31.100 32.600 -0.144 0.000 1.356 171 M HN 0.389 nan 8.290 nan 0.000 0.406 172 S N -0.169 115.477 115.700 -0.090 0.000 2.368 172 S HA -0.212 4.247 4.470 -0.019 0.000 0.225 172 S C 1.895 176.433 174.600 -0.103 0.000 1.030 172 S CA 1.594 59.748 58.200 -0.076 0.000 0.999 172 S CB -0.146 63.040 63.200 -0.024 0.000 0.844 172 S HN 0.548 nan 8.310 nan 0.000 0.459 173 Q N 0.121 119.875 119.800 -0.077 0.000 2.079 173 Q HA -0.060 4.269 4.340 -0.019 0.000 0.200 173 Q C 2.212 178.156 176.000 -0.095 0.000 0.974 173 Q CA 1.356 57.119 55.803 -0.067 0.000 0.840 173 Q CB -0.430 28.285 28.738 -0.038 0.000 0.898 173 Q HN 0.621 nan 8.270 nan 0.000 0.430 174 A N 0.911 123.669 122.820 -0.103 0.000 1.883 174 A HA -0.234 4.075 4.320 -0.019 0.000 0.217 174 A C 2.059 179.545 177.584 -0.164 0.000 1.186 174 A CA 1.829 53.810 52.037 -0.094 0.000 0.624 174 A CB -0.575 18.385 19.000 -0.066 0.000 0.822 174 A HN 0.421 nan 8.150 nan 0.000 0.444 175 M N -0.662 118.744 119.600 -0.323 0.000 2.080 175 M HA -0.155 4.314 4.480 -0.019 0.000 0.260 175 M C 2.168 178.119 176.300 -0.581 0.000 1.068 175 M CA 1.650 56.563 55.300 -0.644 0.000 1.109 175 M CB -1.431 30.375 32.600 -1.324 0.000 1.342 175 M HN 0.419 nan 8.290 nan 0.000 0.405 176 R N 0.289 120.555 120.500 -0.389 0.000 2.094 176 R HA -0.176 4.153 4.340 -0.019 0.000 0.239 176 R C 2.320 178.591 176.300 -0.048 0.000 1.137 176 R CA 1.685 57.720 56.100 -0.109 0.000 0.943 176 R CB -0.267 30.012 30.300 -0.035 0.000 0.850 176 R HN 0.447 nan 8.270 nan 0.000 0.433 177 K N 0.225 120.589 120.400 -0.059 0.000 2.103 177 K HA -0.077 4.232 4.320 -0.019 0.000 0.204 177 K C 2.182 178.776 176.600 -0.011 0.000 1.052 177 K CA 1.022 57.297 56.287 -0.021 0.000 0.945 177 K CB -0.051 32.440 32.500 -0.015 0.000 0.722 177 K HN 0.164 nan 8.250 nan 0.000 0.443 178 L N 0.563 121.769 121.223 -0.028 0.000 2.044 178 L HA -0.097 4.232 4.340 -0.019 0.000 0.205 178 L C 2.636 179.521 176.870 0.025 0.000 1.075 178 L CA 0.871 55.713 54.840 0.002 0.000 0.747 178 L CB -0.666 41.406 42.059 0.020 0.000 0.903 178 L HN 0.149 nan 8.230 nan 0.000 0.435 179 A N 0.716 123.555 122.820 0.033 0.000 1.896 179 A HA -0.281 4.028 4.320 -0.019 0.000 0.220 179 A C 2.356 179.990 177.584 0.084 0.000 1.206 179 A CA 2.423 54.524 52.037 0.107 0.000 0.647 179 A CB -1.560 17.575 19.000 0.226 0.000 0.828 179 A HN 0.481 nan 8.150 nan 0.000 0.455 180 G N -0.938 107.903 108.800 0.068 0.000 2.404 180 G HA2 -0.264 3.685 3.960 -0.019 0.000 0.215 180 G HA3 -0.264 3.685 3.960 -0.019 0.000 0.215 180 G C 1.443 176.365 174.900 0.037 0.000 1.174 180 G CA 1.037 46.167 45.100 0.051 0.000 0.780 180 G HN 0.729 nan 8.290 nan 0.000 0.537 181 N N -0.053 118.664 118.700 0.030 0.000 2.223 181 N HA -0.010 4.719 4.740 -0.019 0.000 0.185 181 N C 2.195 177.717 175.510 0.019 0.000 1.016 181 N CA 0.440 53.503 53.050 0.021 0.000 0.863 181 N CB -0.118 38.379 38.487 0.017 0.000 0.983 181 N HN 0.239 nan 8.380 nan 0.000 0.429 182 L N 0.702 121.940 121.223 0.025 0.000 2.072 182 L HA -0.115 4.214 4.340 -0.019 0.000 0.205 182 L C 2.420 179.303 176.870 0.022 0.000 1.079 182 L CA 0.872 55.724 54.840 0.020 0.000 0.752 182 L CB -0.202 41.873 42.059 0.028 0.000 0.906 182 L HN 0.063 nan 8.230 nan 0.000 0.436 183 K N 0.592 121.011 120.400 0.032 0.000 2.025 183 K HA -0.197 4.112 4.320 -0.019 0.000 0.207 183 K C 2.056 178.669 176.600 0.021 0.000 1.049 183 K CA 1.625 57.930 56.287 0.029 0.000 0.933 183 K CB -0.239 32.283 32.500 0.037 0.000 0.714 183 K HN 0.176 nan 8.250 nan 0.000 0.438 184 Q N -0.545 119.267 119.800 0.020 0.000 2.364 184 Q HA 0.033 4.362 4.340 -0.019 0.000 0.207 184 Q C 1.076 177.083 176.000 0.011 0.000 0.970 184 Q CA 1.362 57.174 55.803 0.015 0.000 0.888 184 Q CB 0.232 28.979 28.738 0.016 0.000 0.951 184 Q HN 0.233 nan 8.270 nan 0.000 0.469 185 S N -0.031 115.675 115.700 0.010 0.000 2.524 185 S HA 0.055 4.514 4.470 -0.019 0.000 0.215 185 S C 0.236 174.838 174.600 0.003 0.000 0.986 185 S CA -0.084 58.119 58.200 0.005 0.000 0.911 185 S CB 0.297 63.499 63.200 0.003 0.000 0.805 185 S HN 0.452 nan 8.310 nan 0.000 0.501 186 N N 2.040 120.743 118.700 0.005 0.000 2.735 186 N HA -0.141 4.588 4.740 -0.019 0.000 0.248 186 N C -1.157 174.352 175.510 -0.002 0.000 1.083 186 N CA 0.887 53.939 53.050 0.003 0.000 0.703 186 N CB -1.507 36.981 38.487 0.002 0.000 1.005 186 N HN 0.258 nan 8.380 nan 0.000 0.550 187 T N 0.782 115.334 114.554 -0.003 0.000 2.767 187 T HA 0.432 4.771 4.350 -0.019 0.000 0.288 187 T C 0.252 174.942 174.700 -0.017 0.000 0.963 187 T CA -0.667 61.425 62.100 -0.014 0.000 1.019 187 T CB 1.433 70.290 68.868 -0.018 0.000 0.923 187 T HN 0.293 nan 8.240 nan 0.000 0.468 188 L N 4.589 125.797 121.223 -0.025 0.000 2.331 188 L HA 0.552 4.880 4.340 -0.019 0.000 0.278 188 L C -0.814 176.017 176.870 -0.065 0.000 1.106 188 L CA -0.253 54.568 54.840 -0.030 0.000 0.824 188 L CB 0.372 42.415 42.059 -0.027 0.000 1.142 188 L HN 0.628 nan 8.230 nan 0.000 0.443 189 L N 6.821 127.998 121.223 -0.077 0.000 2.343 189 L HA 0.535 4.864 4.340 -0.019 0.000 0.278 189 L C -1.019 175.731 176.870 -0.199 0.000 0.996 189 L CA -0.480 54.252 54.840 -0.181 0.000 0.831 189 L CB 1.221 43.159 42.059 -0.201 0.000 1.232 189 L HN 0.667 nan 8.230 nan 0.000 0.413 190 I N 4.571 124.988 120.570 -0.255 0.000 2.321 190 I HA 0.274 4.433 4.170 -0.019 0.000 0.291 190 I C -0.810 175.120 176.117 -0.311 0.000 0.998 190 I CA -0.290 60.903 61.300 -0.178 0.000 1.227 190 I CB 1.228 39.171 38.000 -0.095 0.000 1.368 190 I HN 0.394 nan 8.210 nan 0.000 0.466 191 F N 6.606 126.534 119.950 -0.036 0.000 2.404 191 F HA 0.463 4.979 4.527 -0.018 0.000 0.354 191 F C 0.392 176.179 175.800 -0.022 0.000 1.122 191 F CA -0.430 57.544 58.000 -0.044 0.000 1.080 191 F CB 0.970 39.956 39.000 -0.023 0.000 1.131 191 F HN 0.215 nan 8.300 nan 0.000 0.471 192 I N 3.601 124.248 120.570 0.127 0.000 2.395 192 I HA 0.207 4.366 4.170 -0.019 0.000 0.289 192 I C -0.172 176.005 176.117 0.101 0.000 1.023 192 I CA -0.098 61.262 61.300 0.100 0.000 1.350 192 I CB 1.009 39.040 38.000 0.052 0.000 1.409 192 I HN 0.634 nan 8.210 nan 0.000 0.507 193 N N 4.355 123.118 118.700 0.105 0.000 2.292 193 N HA 0.387 5.116 4.740 -0.019 0.000 0.303 193 N C -1.170 174.325 175.510 -0.025 0.000 1.140 193 N CA -0.692 52.378 53.050 0.034 0.000 0.788 193 N CB 1.684 40.200 38.487 0.049 0.000 1.361 193 N HN 0.540 nan 8.380 nan 0.000 0.489 194 Q N 0.891 120.551 119.800 -0.233 0.000 2.180 194 Q HA 0.490 4.819 4.340 -0.019 0.000 0.241 194 Q C -0.636 175.140 176.000 -0.373 0.000 0.970 194 Q CA -0.620 54.832 55.803 -0.585 0.000 0.919 194 Q CB 1.983 29.974 28.738 -1.244 0.000 1.222 194 Q HN 0.478 nan 8.270 nan 0.000 0.482 195 I N 1.470 121.853 120.570 -0.313 0.000 2.359 195 I HA 0.352 4.511 4.170 -0.019 0.000 0.294 195 I C 0.008 176.097 176.117 -0.047 0.000 0.987 195 I CA -0.656 60.608 61.300 -0.060 0.000 1.225 195 I CB 0.780 38.877 38.000 0.162 0.000 1.366 195 I HN 0.336 nan 8.210 nan 0.000 0.466 196 R N 4.543 125.010 120.500 -0.055 0.000 2.902 196 R HA 0.636 4.965 4.340 -0.019 0.000 0.258 196 R C -0.966 175.333 176.300 -0.003 0.000 1.071 196 R CA -1.332 54.761 56.100 -0.011 0.000 1.024 196 R CB 1.527 31.805 30.300 -0.037 0.000 1.184 196 R HN 0.417 nan 8.270 nan 0.000 0.492 197 M N 1.824 121.428 119.600 0.007 0.000 2.238 197 M HA 0.247 4.715 4.480 -0.019 0.000 0.350 197 M C -0.355 175.932 176.300 -0.021 0.000 1.138 197 M CA -0.310 54.988 55.300 -0.003 0.000 1.040 197 M CB 0.963 33.568 32.600 0.008 0.000 1.639 197 M HN 0.265 nan 8.290 nan 0.000 0.451 198 K N 4.313 124.690 120.400 -0.038 0.000 2.205 198 K HA 0.457 4.766 4.320 -0.019 0.000 0.279 198 K C -0.899 175.666 176.600 -0.058 0.000 1.027 198 K CA -0.384 55.875 56.287 -0.047 0.000 0.932 198 K CB 1.194 33.660 32.500 -0.056 0.000 1.032 198 K HN 0.746 nan 8.250 nan 0.000 0.466 199 I N 1.591 122.132 120.570 -0.048 0.000 2.392 199 I HA 0.233 4.392 4.170 -0.019 0.000 0.295 199 I C 0.643 176.725 176.117 -0.057 0.000 0.985 199 I CA 0.479 61.752 61.300 -0.044 0.000 1.221 199 I CB 1.213 39.199 38.000 -0.023 0.000 1.366 199 I HN 1.043 nan 8.210 nan 0.000 0.467 200 G N 4.996 113.759 108.800 -0.061 0.000 2.249 200 G HA2 -0.214 3.734 3.960 -0.019 0.000 0.273 200 G HA3 -0.214 3.734 3.960 -0.019 0.000 0.273 200 G C -0.098 174.734 174.900 -0.113 0.000 1.036 200 G CA 0.421 45.482 45.100 -0.065 0.000 0.824 200 G HN 0.542 nan 8.290 nan 0.000 0.504 201 V N 0.822 120.625 119.914 -0.184 0.000 2.904 201 V HA 0.783 4.892 4.120 -0.019 0.000 0.305 201 V C 1.252 177.128 176.094 -0.364 0.000 1.067 201 V CA 0.200 62.273 62.300 -0.377 0.000 1.044 201 V CB 1.426 32.965 31.823 -0.472 0.000 1.050 201 V HN 0.564 nan 8.190 nan 0.000 0.475 202 M N 4.631 123.907 119.600 -0.541 0.000 2.848 202 M HA 0.431 4.900 4.480 -0.019 0.000 0.420 202 M C -1.001 175.258 176.300 -0.068 0.000 1.304 202 M CA -0.211 54.964 55.300 -0.208 0.000 0.844 202 M CB 0.435 33.017 32.600 -0.029 0.000 1.451 202 M HN 0.431 nan 8.290 nan 0.000 0.511 203 F N -2.360 117.595 119.950 0.008 0.000 2.686 203 F HA 0.867 5.383 4.527 -0.019 0.000 0.311 203 F C 0.668 176.472 175.800 0.005 0.000 1.128 203 F CA -0.456 57.547 58.000 0.006 0.000 0.946 203 F CB 0.047 39.049 39.000 0.004 0.000 1.336 203 F HN 0.192 nan 8.300 nan 0.000 0.457 204 G N 1.749 110.712 108.800 0.272 0.000 2.686 204 G HA2 -0.238 3.711 3.960 -0.019 0.000 0.329 204 G HA3 -0.238 3.711 3.960 -0.019 0.000 0.329 204 G C -0.439 174.505 174.900 0.073 0.000 1.187 204 G CA 0.858 46.060 45.100 0.170 0.000 0.965 204 G HN 1.768 nan 8.290 nan 0.000 0.549 205 N N 1.211 119.940 118.700 0.049 0.000 2.331 205 N HA 0.489 5.218 4.740 -0.019 0.000 0.280 205 N C -2.302 173.194 175.510 -0.024 0.000 1.155 205 N CA -1.033 52.023 53.050 0.010 0.000 0.822 205 N CB 2.194 40.697 38.487 0.026 0.000 1.619 205 N HN 0.331 nan 8.380 nan 0.000 0.476 206 P HA 0.158 nan 4.420 nan 0.000 0.249 206 P C -0.374 176.904 177.300 -0.037 0.000 1.229 206 P CA 0.402 63.468 63.100 -0.058 0.000 0.788 206 P CB 0.558 32.230 31.700 -0.047 0.000 1.072 207 E N 0.279 120.467 120.200 -0.020 0.000 2.366 207 E HA 0.302 4.641 4.350 -0.019 0.000 0.266 207 E C 0.074 176.633 176.600 -0.069 0.000 1.051 207 E CA 0.321 56.705 56.400 -0.026 0.000 0.884 207 E CB 0.715 30.414 29.700 -0.002 0.000 1.006 207 E HN 0.123 nan 8.360 nan 0.000 0.417 208 T N 0.042 114.538 114.554 -0.096 0.000 2.618 208 T HA 0.450 4.789 4.350 -0.019 0.000 0.293 208 T C -0.519 174.060 174.700 -0.202 0.000 1.093 208 T CA -0.773 61.241 62.100 -0.145 0.000 1.061 208 T CB 1.700 70.513 68.868 -0.092 0.000 1.498 208 T HN 0.315 nan 8.240 nan 0.000 0.494 209 T N 1.632 116.068 114.554 -0.196 0.000 2.909 209 T HA 0.623 4.962 4.350 -0.019 0.000 0.299 209 T C -0.582 174.036 174.700 -0.137 0.000 1.073 209 T CA -0.539 61.433 62.100 -0.213 0.000 0.999 209 T CB 1.560 70.258 68.868 -0.284 0.000 1.098 209 T HN 0.764 nan 8.240 nan 0.000 0.477 210 T N 0.959 115.436 114.554 -0.128 0.000 2.868 210 T HA 0.507 4.846 4.350 -0.019 0.000 0.292 210 T C 1.230 175.879 174.700 -0.086 0.000 1.028 210 T CA 0.300 62.343 62.100 -0.094 0.000 1.059 210 T CB 0.664 69.478 68.868 -0.090 0.000 0.991 210 T HN 1.173 nan 8.240 nan 0.000 0.531 211 G N 0.283 109.044 108.800 -0.065 0.000 2.204 211 G HA2 0.264 4.213 3.960 -0.019 0.000 0.244 211 G HA3 0.264 4.213 3.960 -0.019 0.000 0.244 211 G C 0.702 175.564 174.900 -0.062 0.000 1.062 211 G CA 0.119 45.177 45.100 -0.070 0.000 0.798 211 G HN 1.850 nan 8.290 nan 0.000 0.496 212 G N -0.346 108.432 108.800 -0.037 0.000 2.593 212 G HA2 -0.189 3.760 3.960 -0.019 0.000 0.237 212 G HA3 -0.189 3.760 3.960 -0.019 0.000 0.237 212 G C 0.547 175.454 174.900 0.012 0.000 1.312 212 G CA 0.507 45.602 45.100 -0.009 0.000 0.896 212 G HN 0.960 nan 8.290 nan 0.000 0.574 213 N N 0.380 119.120 118.700 0.066 0.000 2.250 213 N HA 0.240 4.969 4.740 -0.019 0.000 0.190 213 N C 2.376 178.048 175.510 0.270 0.000 1.116 213 N CA 1.146 54.288 53.050 0.152 0.000 0.881 213 N CB 0.301 38.916 38.487 0.214 0.000 1.006 213 N HN 0.843 nan 8.380 nan 0.000 0.491 214 A N 1.611 124.545 122.820 0.191 0.000 1.873 214 A HA -0.152 4.157 4.320 -0.019 0.000 0.218 214 A C 2.167 179.955 177.584 0.340 0.000 1.193 214 A CA 1.162 53.360 52.037 0.269 0.000 0.629 214 A CB -0.745 18.310 19.000 0.091 0.000 0.826 214 A HN 0.196 nan 8.150 nan 0.000 0.447 215 L N 0.034 121.325 121.223 0.113 0.000 2.079 215 L HA -0.181 4.148 4.340 -0.019 0.000 0.210 215 L C 2.255 179.197 176.870 0.121 0.000 1.081 215 L CA 2.269 57.143 54.840 0.056 0.000 0.752 215 L CB -0.574 41.404 42.059 -0.135 0.000 0.896 215 L HN 0.398 nan 8.230 nan 0.000 0.433 216 K N -1.236 119.206 120.400 0.070 0.000 2.089 216 K HA -0.236 4.073 4.320 -0.019 0.000 0.210 216 K C 2.042 178.588 176.600 -0.090 0.000 1.048 216 K CA 2.084 58.337 56.287 -0.057 0.000 0.926 216 K CB -0.475 31.892 32.500 -0.221 0.000 0.714 216 K HN 0.275 nan 8.250 nan 0.000 0.448 217 F N -0.662 119.317 119.950 0.049 0.000 2.149 217 F HA -0.100 4.416 4.527 -0.019 0.000 0.294 217 F C 2.121 177.878 175.800 -0.071 0.000 1.095 217 F CA 1.064 59.043 58.000 -0.036 0.000 1.276 217 F CB -0.389 38.550 39.000 -0.102 0.000 1.023 217 F HN -0.030 nan 8.300 nan 0.000 0.480 218 Y N 0.180 120.596 120.300 0.193 0.000 2.373 218 Y HA 0.172 4.711 4.550 -0.019 0.000 0.293 218 Y C 1.670 177.623 175.900 0.088 0.000 1.129 218 Y CA 0.014 58.185 58.100 0.119 0.000 1.226 218 Y CB -0.792 37.722 38.460 0.090 0.000 1.000 218 Y HN -0.110 nan 8.280 nan 0.000 0.549 219 A N -0.030 122.918 122.820 0.214 0.000 2.546 219 A HA 0.098 4.407 4.320 -0.019 0.000 0.243 219 A C 1.250 178.884 177.584 0.083 0.000 1.063 219 A CA 0.555 52.678 52.037 0.143 0.000 0.757 219 A CB 0.100 19.168 19.000 0.114 0.000 0.991 219 A HN 0.355 nan 8.150 nan 0.000 0.503 220 S N 0.611 116.354 115.700 0.071 0.000 2.486 220 S HA 0.194 4.652 4.470 -0.019 0.000 0.220 220 S C 0.322 174.926 174.600 0.007 0.000 1.011 220 S CA 0.455 58.675 58.200 0.034 0.000 0.921 220 S CB 0.132 63.353 63.200 0.036 0.000 0.785 220 S HN 0.566 nan 8.310 nan 0.000 0.517 221 V N 2.402 122.326 119.914 0.016 0.000 2.733 221 V HA 0.455 4.563 4.120 -0.019 0.000 0.306 221 V C -0.907 175.191 176.094 0.006 0.000 1.084 221 V CA -0.838 61.457 62.300 -0.008 0.000 0.905 221 V CB 2.126 33.944 31.823 -0.009 0.000 1.010 221 V HN 0.141 nan 8.190 nan 0.000 0.424 222 R N 4.298 124.786 120.500 -0.020 0.000 2.480 222 R HA 0.666 4.995 4.340 -0.019 0.000 0.306 222 R C -1.831 174.418 176.300 -0.085 0.000 0.958 222 R CA -0.900 55.198 56.100 -0.003 0.000 0.861 222 R CB 2.237 32.578 30.300 0.069 0.000 1.171 222 R HN 0.339 nan 8.270 nan 0.000 0.445 223 L N 2.457 123.592 121.223 -0.146 0.000 2.313 223 L HA 0.288 4.617 4.340 -0.019 0.000 0.283 223 L C -0.171 176.395 176.870 -0.506 0.000 1.013 223 L CA -0.528 54.185 54.840 -0.212 0.000 0.816 223 L CB 1.394 43.393 42.059 -0.100 0.000 1.236 223 L HN 0.490 nan 8.230 nan 0.000 0.419 224 D N 4.331 124.448 120.400 -0.472 0.000 2.454 224 D HA 0.247 4.876 4.640 -0.019 0.000 0.225 224 D C -0.599 175.572 176.300 -0.214 0.000 1.081 224 D CA -0.211 53.449 54.000 -0.566 0.000 0.864 224 D CB 0.812 41.419 40.800 -0.321 0.000 1.040 224 D HN 0.452 nan 8.370 nan 0.000 0.517 225 I N 3.342 123.822 120.570 -0.150 0.000 2.392 225 I HA 0.471 4.629 4.170 -0.019 0.000 0.295 225 I C -0.631 175.484 176.117 -0.004 0.000 0.985 225 I CA -0.625 60.649 61.300 -0.043 0.000 1.221 225 I CB 0.593 38.604 38.000 0.018 0.000 1.366 225 I HN 0.243 nan 8.210 nan 0.000 0.467 226 R N 5.655 126.139 120.500 -0.026 0.000 2.626 226 R HA 0.377 4.705 4.340 -0.019 0.000 0.274 226 R C -1.087 175.193 176.300 -0.033 0.000 1.031 226 R CA -0.902 55.194 56.100 -0.006 0.000 0.898 226 R CB 2.003 32.300 30.300 -0.004 0.000 1.222 226 R HN 0.568 nan 8.270 nan 0.000 0.455 227 R N 3.971 124.474 120.500 0.004 0.000 2.298 227 R HA 0.180 4.509 4.340 -0.019 0.000 0.310 227 R C 0.688 176.979 176.300 -0.015 0.000 1.068 227 R CA 0.124 56.226 56.100 0.004 0.000 0.957 227 R CB 0.462 30.803 30.300 0.067 0.000 1.003 227 R HN 0.773 nan 8.270 nan 0.000 0.454 228 I N 0.454 120.996 120.570 -0.045 0.000 4.181 228 I HA 0.486 4.645 4.170 -0.019 0.000 0.331 228 I C 0.458 176.547 176.117 -0.047 0.000 1.312 228 I CA -0.203 61.068 61.300 -0.049 0.000 1.146 228 I CB 1.043 39.003 38.000 -0.068 0.000 1.074 228 I HN 0.628 nan 8.210 nan 0.000 0.402 229 G N 1.053 109.823 108.800 -0.051 0.000 2.441 229 G HA2 0.660 4.609 3.960 -0.019 0.000 0.294 229 G HA3 0.660 4.609 3.960 -0.019 0.000 0.294 229 G C -1.982 172.873 174.900 -0.076 0.000 1.393 229 G CA -0.232 44.830 45.100 -0.063 0.000 0.796 229 G HN 0.297 nan 8.290 nan 0.000 0.494 230 A N -0.547 122.211 122.820 -0.103 0.000 2.317 230 A HA 0.725 5.034 4.320 -0.019 0.000 0.327 230 A C -0.259 177.273 177.584 -0.087 0.000 1.178 230 A CA -0.532 51.435 52.037 -0.118 0.000 0.817 230 A CB 1.559 20.440 19.000 -0.198 0.000 1.189 230 A HN 1.339 nan 8.150 nan 0.000 0.489 231 V N 3.768 123.628 119.914 -0.089 0.000 2.389 231 V HA 0.196 4.305 4.120 -0.019 0.000 0.264 231 V C 0.360 176.421 176.094 -0.055 0.000 1.049 231 V CA 0.008 62.262 62.300 -0.077 0.000 0.932 231 V CB 0.336 32.098 31.823 -0.102 0.000 1.011 231 V HN 0.847 nan 8.190 nan 0.000 0.475 232 K N 3.334 123.711 120.400 -0.038 0.000 2.156 232 K HA 0.481 4.790 4.320 -0.019 0.000 0.254 232 K C -0.122 176.473 176.600 -0.008 0.000 0.950 232 K CA -0.714 55.562 56.287 -0.019 0.000 0.849 232 K CB 1.722 34.207 32.500 -0.024 0.000 1.100 232 K HN 0.473 nan 8.250 nan 0.000 0.434 233 E N 1.825 122.028 120.200 0.006 0.000 3.312 233 E HA 0.124 4.463 4.350 -0.019 0.000 0.215 233 E C 0.550 177.157 176.600 0.010 0.000 1.160 233 E CA -0.139 56.267 56.400 0.010 0.000 1.267 233 E CB 0.729 30.442 29.700 0.022 0.000 1.361 233 E HN 1.007 nan 8.360 nan 0.000 0.433 234 G N 2.573 111.375 108.800 0.003 0.000 4.230 234 G HA2 -0.432 3.517 3.960 -0.019 0.000 0.340 234 G HA3 -0.432 3.517 3.960 -0.019 0.000 0.340 234 G C 1.169 176.072 174.900 0.006 0.000 1.315 234 G CA 0.725 45.826 45.100 0.003 0.000 1.033 234 G HN 0.450 nan 8.290 nan 0.000 0.741 235 E N 1.884 122.092 120.200 0.014 0.000 2.021 235 E HA 0.000 4.339 4.350 -0.019 0.000 0.189 235 E C 1.189 177.807 176.600 0.030 0.000 0.980 235 E CA 0.891 57.302 56.400 0.019 0.000 0.803 235 E CB -0.379 29.335 29.700 0.023 0.000 0.766 235 E HN 0.689 nan 8.360 nan 0.000 0.449 236 N N 0.370 119.094 118.700 0.040 0.000 2.525 236 N HA 0.107 4.836 4.740 -0.019 0.000 0.271 236 N C -0.774 174.780 175.510 0.074 0.000 1.194 236 N CA -0.140 52.950 53.050 0.067 0.000 0.964 236 N CB 1.522 40.053 38.487 0.073 0.000 1.126 236 N HN -0.198 nan 8.380 nan 0.000 0.452 237 V N 2.229 122.219 119.914 0.127 0.000 2.320 237 V HA 0.089 4.198 4.120 -0.019 0.000 0.265 237 V C 0.611 176.859 176.094 0.257 0.000 1.048 237 V CA -0.250 62.146 62.300 0.159 0.000 0.865 237 V CB 1.024 32.966 31.823 0.198 0.000 1.043 237 V HN 0.569 nan 8.190 nan 0.000 0.474 238 V N 4.425 124.404 119.914 0.109 0.000 3.621 238 V HA 0.628 4.737 4.120 -0.019 0.000 0.285 238 V C 0.850 176.776 176.094 -0.281 0.000 1.346 238 V CA 1.222 63.565 62.300 0.070 0.000 1.104 238 V CB 0.245 32.093 31.823 0.041 0.000 0.913 238 V HN 0.903 nan 8.190 nan 0.000 0.432 239 G N -1.167 107.315 108.800 -0.530 0.000 2.506 239 G HA2 0.462 4.411 3.960 -0.019 0.000 0.292 239 G HA3 0.462 4.411 3.960 -0.019 0.000 0.292 239 G C -1.441 173.144 174.900 -0.526 0.000 1.425 239 G CA -0.295 44.215 45.100 -0.983 0.000 0.788 239 G HN -0.008 nan 8.290 nan 0.000 0.490 240 S N -0.063 115.433 115.700 -0.340 0.000 2.437 240 S HA 0.489 4.948 4.470 -0.019 0.000 0.305 240 S C -0.309 174.260 174.600 -0.051 0.000 1.109 240 S CA -0.414 57.773 58.200 -0.021 0.000 1.099 240 S CB 1.647 64.951 63.200 0.174 0.000 1.004 240 S HN 0.586 nan 8.310 nan 0.000 0.475 241 E N 2.231 122.394 120.200 -0.062 0.000 2.324 241 E HA 0.307 4.646 4.350 -0.019 0.000 0.271 241 E C -0.598 175.921 176.600 -0.135 0.000 1.028 241 E CA 0.344 56.691 56.400 -0.090 0.000 0.890 241 E CB 0.532 30.186 29.700 -0.078 0.000 1.004 241 E HN 0.449 nan 8.360 nan 0.000 0.431 242 T N 5.012 119.405 114.554 -0.269 0.000 2.876 242 T HA 0.503 4.842 4.350 -0.019 0.000 0.289 242 T C -0.743 173.628 174.700 -0.549 0.000 1.014 242 T CA -0.759 61.087 62.100 -0.422 0.000 0.986 242 T CB 1.246 69.759 68.868 -0.591 0.000 1.021 242 T HN 0.322 nan 8.240 nan 0.000 0.458 243 R N 2.132 122.412 120.500 -0.366 0.000 2.532 243 R HA 0.673 5.002 4.340 -0.019 0.000 0.297 243 R C -1.835 174.356 176.300 -0.182 0.000 0.984 243 R CA -0.511 55.429 56.100 -0.267 0.000 0.884 243 R CB 1.356 31.571 30.300 -0.142 0.000 1.182 243 R HN 0.454 nan 8.270 nan 0.000 0.442 244 V N 4.718 124.562 119.914 -0.116 0.000 2.448 244 V HA 0.396 4.505 4.120 -0.019 0.000 0.295 244 V C -0.214 175.875 176.094 -0.008 0.000 1.025 244 V CA -0.817 61.468 62.300 -0.025 0.000 0.859 244 V CB 1.765 33.642 31.823 0.091 0.000 0.988 244 V HN 0.660 nan 8.190 nan 0.000 0.431 245 K N 2.908 123.293 120.400 -0.025 0.000 2.159 245 K HA 0.587 4.895 4.320 -0.019 0.000 0.266 245 K C -0.882 175.702 176.600 -0.027 0.000 0.975 245 K CA -0.685 55.603 56.287 0.002 0.000 0.865 245 K CB 2.206 34.726 32.500 0.033 0.000 1.087 245 K HN 0.462 nan 8.250 nan 0.000 0.446 246 V N 4.636 124.539 119.914 -0.019 0.000 2.338 246 V HA -0.003 4.106 4.120 -0.019 0.000 0.255 246 V C 1.119 177.117 176.094 -0.160 0.000 1.082 246 V CA -0.062 62.190 62.300 -0.081 0.000 0.951 246 V CB 0.716 32.492 31.823 -0.080 0.000 1.102 246 V HN 0.667 nan 8.190 nan 0.000 0.489 247 V N 3.700 123.535 119.914 -0.132 0.000 2.535 247 V HA 0.067 4.176 4.120 -0.019 0.000 0.246 247 V C 0.974 176.890 176.094 -0.296 0.000 1.045 247 V CA 1.331 63.568 62.300 -0.106 0.000 1.058 247 V CB -0.091 31.775 31.823 0.072 0.000 0.689 247 V HN 0.783 nan 8.190 nan 0.000 0.461 248 K N 0.770 121.036 120.400 -0.224 0.000 2.422 248 K HA 0.411 4.720 4.320 -0.019 0.000 0.251 248 K C -1.539 174.948 176.600 -0.188 0.000 0.933 248 K CA -0.591 55.560 56.287 -0.227 0.000 0.798 248 K CB 1.759 34.193 32.500 -0.109 0.000 1.238 248 K HN 0.135 nan 8.250 nan 0.000 0.428 249 N N 2.954 121.539 118.700 -0.191 0.000 2.519 249 N HA 0.217 4.946 4.740 -0.019 0.000 0.291 249 N C -0.938 174.523 175.510 -0.082 0.000 1.107 249 N CA -0.372 52.604 53.050 -0.123 0.000 0.904 249 N CB 1.697 40.102 38.487 -0.136 0.000 1.500 249 N HN 0.633 nan 8.380 nan 0.000 0.510 250 K N 2.371 122.743 120.400 -0.047 0.000 2.358 250 K HA 0.293 4.602 4.320 -0.019 0.000 0.197 250 K C 0.651 177.241 176.600 -0.017 0.000 1.025 250 K CA 0.175 56.446 56.287 -0.026 0.000 1.104 250 K CB 0.537 33.030 32.500 -0.012 0.000 0.855 250 K HN 0.395 nan 8.250 nan 0.000 0.531 251 I N -0.399 120.158 120.570 -0.021 0.000 4.312 251 I HA 0.197 4.356 4.170 -0.019 0.000 0.324 251 I C -0.047 176.063 176.117 -0.012 0.000 1.298 251 I CA -0.078 61.215 61.300 -0.012 0.000 1.231 251 I CB 1.202 39.197 38.000 -0.009 0.000 1.152 251 I HN -0.054 nan 8.210 nan 0.000 0.421 252 A N -0.319 122.489 122.820 -0.021 0.000 2.536 252 A HA 0.841 5.150 4.320 -0.019 0.000 0.293 252 A C -0.912 176.656 177.584 -0.026 0.000 1.119 252 A CA -0.207 51.821 52.037 -0.016 0.000 0.654 252 A CB -0.043 18.950 19.000 -0.011 0.000 1.291 252 A HN 0.062 nan 8.150 nan 0.000 0.439 253 A N 1.343 124.156 122.820 -0.012 0.000 2.540 253 A HA 0.550 4.859 4.320 -0.019 0.000 0.239 253 A C -1.959 175.597 177.584 -0.047 0.000 1.061 253 A CA -0.285 51.747 52.037 -0.008 0.000 0.758 253 A CB -0.767 18.248 19.000 0.024 0.000 0.991 253 A HN 0.548 nan 8.150 nan 0.000 0.502 254 P HA 0.545 nan 4.420 nan 0.000 0.284 254 P C -0.207 176.998 177.300 -0.158 0.000 1.292 254 P CA -0.346 62.564 63.100 -0.316 0.000 0.800 254 P CB 0.200 31.463 31.700 -0.728 0.000 1.188 255 F N -4.460 115.494 119.950 0.006 0.000 2.840 255 F HA -0.198 4.318 4.527 -0.018 0.000 0.310 255 F C 0.641 176.443 175.800 0.004 0.000 0.688 255 F CA 0.693 58.696 58.000 0.005 0.000 1.286 255 F CB -2.406 36.597 39.000 0.005 0.000 1.612 255 F HN 0.223 nan 8.300 nan 0.000 0.335 256 K N 1.203 121.670 120.400 0.111 0.000 2.126 256 K HA 0.546 4.854 4.320 -0.019 0.000 0.257 256 K C 0.431 177.068 176.600 0.062 0.000 1.007 256 K CA -0.422 55.911 56.287 0.077 0.000 0.928 256 K CB 0.988 33.516 32.500 0.047 0.000 1.013 256 K HN 0.422 nan 8.250 nan 0.000 0.473 257 Q N -0.351 119.480 119.800 0.052 0.000 2.456 257 Q HA 0.745 5.074 4.340 -0.019 0.000 0.283 257 Q C -1.721 174.306 176.000 0.046 0.000 1.084 257 Q CA -1.322 54.506 55.803 0.043 0.000 0.801 257 Q CB 2.098 30.855 28.738 0.033 0.000 1.434 257 Q HN 0.525 nan 8.270 nan 0.000 0.419 258 A N 1.370 124.225 122.820 0.057 0.000 2.374 258 A HA 0.574 4.883 4.320 -0.019 0.000 0.305 258 A C -1.216 176.394 177.584 0.044 0.000 1.053 258 A CA -0.676 51.423 52.037 0.104 0.000 0.726 258 A CB 1.487 20.611 19.000 0.206 0.000 1.229 258 A HN 0.717 nan 8.150 nan 0.000 0.431 259 E N 1.238 121.457 120.200 0.032 0.000 2.187 259 E HA 0.669 5.008 4.350 -0.019 0.000 0.268 259 E C -1.226 175.389 176.600 0.024 0.000 0.896 259 E CA -0.335 56.007 56.400 -0.097 0.000 0.766 259 E CB 1.899 31.556 29.700 -0.071 0.000 1.142 259 E HN 0.618 nan 8.360 nan 0.000 0.408 260 F N -1.100 118.841 119.950 -0.015 0.000 2.923 260 F HA 0.436 4.951 4.527 -0.018 0.000 0.323 260 F C -1.181 174.610 175.800 -0.016 0.000 1.189 260 F CA -1.243 56.744 58.000 -0.021 0.000 0.930 260 F CB 1.000 39.989 39.000 -0.018 0.000 1.414 260 F HN 0.133 nan 8.300 nan 0.000 0.496 261 Q N 1.274 121.261 119.800 0.311 0.000 2.282 261 Q HA 0.628 4.957 4.340 -0.019 0.000 0.260 261 Q C -1.191 174.965 176.000 0.260 0.000 0.964 261 Q CA -0.718 55.183 55.803 0.163 0.000 0.880 261 Q CB 2.937 31.713 28.738 0.064 0.000 1.286 261 Q HN 0.570 nan 8.270 nan 0.000 0.445 262 I N 3.932 124.598 120.570 0.160 0.000 2.306 262 I HA 0.216 4.375 4.170 -0.019 0.000 0.288 262 I C -0.563 175.532 176.117 -0.036 0.000 1.036 262 I CA -0.439 60.951 61.300 0.149 0.000 1.221 262 I CB 0.571 38.707 38.000 0.227 0.000 1.385 262 I HN 0.382 nan 8.210 nan 0.000 0.472 263 L N 7.073 128.290 121.223 -0.011 0.000 2.281 263 L HA 0.291 4.619 4.340 -0.019 0.000 0.285 263 L C -0.486 176.413 176.870 0.048 0.000 1.074 263 L CA -0.790 53.999 54.840 -0.085 0.000 0.817 263 L CB 0.065 42.117 42.059 -0.011 0.000 1.168 263 L HN 0.378 nan 8.230 nan 0.000 0.434 264 Y N 2.127 122.522 120.300 0.158 0.000 2.717 264 Y HA 0.173 4.711 4.550 -0.019 0.000 0.330 264 Y C 1.520 177.550 175.900 0.217 0.000 1.217 264 Y CA 0.453 58.678 58.100 0.209 0.000 1.506 264 Y CB -0.058 38.495 38.460 0.154 0.000 1.268 264 Y HN 0.859 nan 8.280 nan 0.000 0.561 265 G N 1.786 110.902 108.800 0.528 0.000 2.184 265 G HA2 -0.372 3.577 3.960 -0.019 0.000 0.264 265 G HA3 -0.372 3.577 3.960 -0.019 0.000 0.264 265 G C 0.942 175.888 174.900 0.077 0.000 0.975 265 G CA 0.780 46.067 45.100 0.313 0.000 0.642 265 G HN 0.656 nan 8.290 nan 0.000 0.536 266 E N -1.096 119.150 120.200 0.076 0.000 2.357 266 E HA 0.464 4.803 4.350 -0.019 0.000 0.202 266 E C 1.379 177.966 176.600 -0.021 0.000 0.855 266 E CA 1.311 57.721 56.400 0.017 0.000 1.048 266 E CB 0.616 30.345 29.700 0.047 0.000 1.037 266 E HN 1.654 nan 8.360 nan 0.000 0.499 267 G N 0.637 109.451 108.800 0.025 0.000 2.342 267 G HA2 -0.134 3.814 3.960 -0.019 0.000 0.220 267 G HA3 -0.134 3.814 3.960 -0.019 0.000 0.220 267 G C -0.783 174.147 174.900 0.050 0.000 1.243 267 G CA -0.454 44.656 45.100 0.017 0.000 1.083 267 G HN 0.159 nan 8.290 nan 0.000 0.500 268 I N 1.664 122.244 120.570 0.016 0.000 2.662 268 I HA 0.004 4.163 4.170 -0.019 0.000 0.285 268 I C 0.812 176.946 176.117 0.029 0.000 1.161 268 I CA -0.153 61.147 61.300 0.000 0.000 1.415 268 I CB 0.473 38.351 38.000 -0.203 0.000 1.385 268 I HN 0.456 nan 8.210 nan 0.000 0.552 269 N N 6.822 125.568 118.700 0.076 0.000 2.543 269 N HA -0.104 4.625 4.740 -0.019 0.000 0.289 269 N C 0.555 176.092 175.510 0.046 0.000 1.223 269 N CA 0.383 53.478 53.050 0.074 0.000 1.080 269 N CB -0.082 38.447 38.487 0.070 0.000 1.450 269 N HN 0.503 nan 8.380 nan 0.000 0.501 270 F N 3.395 123.253 119.950 -0.154 0.000 2.128 270 F HA -0.098 4.418 4.527 -0.019 0.000 0.295 270 F C 0.926 176.576 175.800 -0.250 0.000 1.100 270 F CA 1.354 59.188 58.000 -0.276 0.000 1.260 270 F CB -0.110 38.617 39.000 -0.456 0.000 1.009 270 F HN 0.409 nan 8.300 nan 0.000 0.476 271 Y N 0.406 120.753 120.300 0.078 0.000 2.373 271 Y HA 0.046 4.585 4.550 -0.019 0.000 0.293 271 Y C 2.651 178.492 175.900 -0.097 0.000 1.129 271 Y CA 0.862 58.949 58.100 -0.021 0.000 1.226 271 Y CB -1.336 37.161 38.460 0.061 0.000 1.000 271 Y HN 0.129 nan 8.280 nan 0.000 0.549 272 G N 0.064 108.898 108.800 0.056 0.000 2.446 272 G HA2 -0.271 3.678 3.960 -0.019 0.000 0.217 272 G HA3 -0.271 3.678 3.960 -0.019 0.000 0.217 272 G C 1.509 176.372 174.900 -0.062 0.000 1.168 272 G CA 1.175 46.271 45.100 -0.006 0.000 0.771 272 G HN 0.406 nan 8.290 nan 0.000 0.551 273 E N -0.327 119.799 120.200 -0.124 0.000 2.058 273 E HA -0.137 4.202 4.350 -0.019 0.000 0.194 273 E C 2.421 178.904 176.600 -0.196 0.000 0.997 273 E CA 0.889 57.190 56.400 -0.165 0.000 0.801 273 E CB -0.244 29.294 29.700 -0.270 0.000 0.746 273 E HN 0.295 nan 8.360 nan 0.000 0.450 274 L N 0.752 121.799 121.223 -0.293 0.000 2.042 274 L HA -0.196 4.133 4.340 -0.019 0.000 0.210 274 L C 2.240 179.060 176.870 -0.083 0.000 1.076 274 L CA 1.402 56.113 54.840 -0.215 0.000 0.749 274 L CB -0.426 41.524 42.059 -0.182 0.000 0.893 274 L HN -0.016 nan 8.230 nan 0.000 0.432 275 V N -0.258 119.620 119.914 -0.060 0.000 2.233 275 V HA -0.333 3.775 4.120 -0.019 0.000 0.247 275 V C 2.301 178.393 176.094 -0.002 0.000 1.050 275 V CA 2.113 64.382 62.300 -0.052 0.000 1.010 275 V CB -0.778 30.956 31.823 -0.148 0.000 0.637 275 V HN 0.435 nan 8.190 nan 0.000 0.444 276 D N -0.160 120.233 120.400 -0.011 0.000 2.123 276 D HA -0.126 4.503 4.640 -0.019 0.000 0.196 276 D C 2.074 178.386 176.300 0.020 0.000 0.992 276 D CA 0.980 54.994 54.000 0.024 0.000 0.833 276 D CB -0.279 40.527 40.800 0.011 0.000 0.954 276 D HN 0.174 nan 8.370 nan 0.000 0.455 277 L N 0.538 121.753 121.223 -0.013 0.000 2.093 277 L HA -0.014 4.315 4.340 -0.019 0.000 0.208 277 L C 2.468 179.345 176.870 0.011 0.000 1.085 277 L CA 1.492 56.325 54.840 -0.012 0.000 0.755 277 L CB -1.577 40.453 42.059 -0.048 0.000 0.904 277 L HN 0.074 nan 8.230 nan 0.000 0.435 278 G N -0.876 107.933 108.800 0.015 0.000 2.421 278 G HA2 -0.175 3.774 3.960 -0.019 0.000 0.216 278 G HA3 -0.175 3.774 3.960 -0.019 0.000 0.216 278 G C 1.765 176.712 174.900 0.079 0.000 1.171 278 G CA 0.901 46.029 45.100 0.045 0.000 0.775 278 G HN 0.239 nan 8.290 nan 0.000 0.543 279 V N 0.812 120.784 119.914 0.096 0.000 2.343 279 V HA -0.154 3.955 4.120 -0.019 0.000 0.247 279 V C 2.710 178.847 176.094 0.071 0.000 1.051 279 V CA 2.218 64.585 62.300 0.111 0.000 1.036 279 V CB -0.355 31.566 31.823 0.164 0.000 0.654 279 V HN 0.399 nan 8.190 nan 0.000 0.451 280 K N -0.166 120.267 120.400 0.056 0.000 2.097 280 K HA -0.186 4.123 4.320 -0.019 0.000 0.206 280 K C 1.696 178.318 176.600 0.036 0.000 1.049 280 K CA 1.370 57.680 56.287 0.039 0.000 0.933 280 K CB 0.001 32.519 32.500 0.030 0.000 0.717 280 K HN 0.361 nan 8.250 nan 0.000 0.442 281 E N 0.822 121.047 120.200 0.041 0.000 2.437 281 E HA -0.010 4.329 4.350 -0.019 0.000 0.189 281 E C -0.250 176.380 176.600 0.050 0.000 1.054 281 E CA 0.125 56.550 56.400 0.041 0.000 0.874 281 E CB 0.481 30.205 29.700 0.040 0.000 1.011 281 E HN 0.181 nan 8.360 nan 0.000 0.474 282 K N -0.123 120.310 120.400 0.055 0.000 3.088 282 K HA -0.202 4.107 4.320 -0.019 0.000 0.273 282 K C 0.932 177.580 176.600 0.079 0.000 1.111 282 K CA 0.462 56.783 56.287 0.057 0.000 0.803 282 K CB -2.184 30.339 32.500 0.038 0.000 1.226 282 K HN 0.274 nan 8.250 nan 0.000 0.485 283 L N -0.496 120.793 121.223 0.110 0.000 2.298 283 L HA 0.206 4.535 4.340 -0.019 0.000 0.209 283 L C 1.171 178.199 176.870 0.263 0.000 1.084 283 L CA 0.546 55.493 54.840 0.177 0.000 0.816 283 L CB 0.139 42.304 42.059 0.177 0.000 0.967 283 L HN 0.116 nan 8.230 nan 0.000 0.460 284 I N -0.216 120.475 120.570 0.202 0.000 2.404 284 I HA 0.200 4.359 4.170 -0.019 0.000 0.293 284 I C -0.191 176.018 176.117 0.154 0.000 0.992 284 I CA -0.613 60.824 61.300 0.228 0.000 1.149 284 I CB 2.146 40.270 38.000 0.207 0.000 1.315 284 I HN -0.106 nan 8.210 nan 0.000 0.446 285 E N 5.633 125.908 120.200 0.126 0.000 2.331 285 E HA 0.227 4.566 4.350 -0.019 0.000 0.272 285 E C -0.687 175.918 176.600 0.007 0.000 1.036 285 E CA -0.197 56.234 56.400 0.052 0.000 0.864 285 E CB 0.924 30.639 29.700 0.025 0.000 1.035 285 E HN 0.289 nan 8.360 nan 0.000 0.408 286 K N 2.670 123.027 120.400 -0.072 0.000 2.572 286 K HA 0.492 4.801 4.320 -0.019 0.000 0.244 286 K C -1.610 174.899 176.600 -0.152 0.000 0.965 286 K CA -0.616 55.526 56.287 -0.242 0.000 0.943 286 K CB 1.077 33.380 32.500 -0.328 0.000 1.154 286 K HN 0.506 nan 8.250 nan 0.000 0.447 287 A N 3.435 126.197 122.820 -0.097 0.000 2.880 287 A HA 0.548 4.857 4.320 -0.019 0.000 0.328 287 A C 0.876 178.457 177.584 -0.005 0.000 1.440 287 A CA 0.393 52.414 52.037 -0.027 0.000 1.068 287 A CB -0.231 18.776 19.000 0.013 0.000 1.163 287 A HN 1.045 nan 8.150 nan 0.000 0.510 288 G N 1.568 110.334 108.800 -0.056 0.000 3.274 288 G HA2 -0.122 3.827 3.960 -0.019 0.000 0.313 288 G HA3 -0.122 3.827 3.960 -0.019 0.000 0.313 288 G C 1.323 176.153 174.900 -0.117 0.000 1.295 288 G CA 0.853 45.923 45.100 -0.050 0.000 1.004 288 G HN 1.912 nan 8.290 nan 0.000 0.614 289 A N -0.869 121.892 122.820 -0.099 0.000 2.343 289 A HA 0.527 4.836 4.320 -0.019 0.000 0.223 289 A C 0.568 177.990 177.584 -0.269 0.000 1.214 289 A CA 0.440 52.365 52.037 -0.187 0.000 0.900 289 A CB 0.094 18.984 19.000 -0.182 0.000 0.942 289 A HN 0.573 nan 8.150 nan 0.000 0.507 290 W N 0.048 121.252 121.300 -0.159 0.000 2.358 290 W HA 0.495 5.144 4.660 -0.018 0.000 0.307 290 W C -0.833 175.563 176.519 -0.205 0.000 1.203 290 W CA -0.086 57.197 57.345 -0.104 0.000 1.279 290 W CB 0.314 29.732 29.460 -0.070 0.000 1.264 290 W HN 0.237 nan 8.180 nan 0.000 0.474 291 Y N 2.944 123.364 120.300 0.200 0.000 2.341 291 Y HA 0.369 4.908 4.550 -0.019 0.000 0.340 291 Y C 0.550 176.502 175.900 0.086 0.000 0.997 291 Y CA -0.230 57.929 58.100 0.098 0.000 1.149 291 Y CB 1.015 39.484 38.460 0.015 0.000 1.171 291 Y HN 0.143 nan 8.280 nan 0.000 0.494 292 S N 2.914 118.712 115.700 0.162 0.000 2.532 292 S HA 0.436 4.895 4.470 -0.019 0.000 0.301 292 S C -1.794 172.868 174.600 0.103 0.000 1.083 292 S CA -0.796 57.444 58.200 0.066 0.000 1.025 292 S CB 1.327 64.534 63.200 0.012 0.000 1.056 292 S HN 0.501 nan 8.310 nan 0.000 0.494 293 Y N 2.481 122.708 120.300 -0.122 0.000 2.326 293 Y HA 0.361 4.899 4.550 -0.019 0.000 0.329 293 Y C -0.078 175.793 175.900 -0.049 0.000 0.973 293 Y CA -1.091 56.962 58.100 -0.078 0.000 1.162 293 Y CB 0.491 38.886 38.460 -0.108 0.000 1.147 293 Y HN 0.806 nan 8.280 nan 0.000 0.456 294 K N 5.050 125.155 120.400 -0.491 0.000 3.278 294 K HA -0.263 4.046 4.320 -0.019 0.000 0.270 294 K C 0.988 177.463 176.600 -0.208 0.000 0.955 294 K CA 0.979 57.016 56.287 -0.417 0.000 0.723 294 K CB -1.619 30.516 32.500 -0.608 0.000 1.382 294 K HN 1.325 nan 8.250 nan 0.000 0.461 295 G N 0.229 108.946 108.800 -0.138 0.000 2.417 295 G HA2 -0.400 3.549 3.960 -0.019 0.000 0.233 295 G HA3 -0.400 3.549 3.960 -0.019 0.000 0.233 295 G C 0.007 174.851 174.900 -0.093 0.000 1.103 295 G CA 0.515 45.555 45.100 -0.100 0.000 0.647 295 G HN 0.551 nan 8.290 nan 0.000 0.512 296 E N 1.934 122.081 120.200 -0.089 0.000 2.324 296 E HA 0.334 4.672 4.350 -0.019 0.000 0.271 296 E C 0.124 176.657 176.600 -0.112 0.000 1.028 296 E CA -0.344 56.010 56.400 -0.078 0.000 0.890 296 E CB 0.238 29.921 29.700 -0.028 0.000 1.004 296 E HN 0.384 nan 8.360 nan 0.000 0.431 297 K N 4.978 125.310 120.400 -0.114 0.000 2.322 297 K HA 0.145 4.454 4.320 -0.019 0.000 0.283 297 K C 0.952 177.459 176.600 -0.155 0.000 1.042 297 K CA -0.018 56.223 56.287 -0.076 0.000 0.958 297 K CB 0.776 33.204 32.500 -0.119 0.000 0.984 297 K HN 0.568 nan 8.250 nan 0.000 0.473 298 I N -1.835 118.590 120.570 -0.242 0.000 4.181 298 I HA 0.307 4.466 4.170 -0.019 0.000 0.331 298 I C 0.556 176.515 176.117 -0.264 0.000 1.312 298 I CA -0.313 60.543 61.300 -0.740 0.000 1.146 298 I CB 0.963 38.157 38.000 -1.344 0.000 1.074 298 I HN 0.595 nan 8.210 nan 0.000 0.402 299 G N 1.164 110.002 108.800 0.064 0.000 2.361 299 G HA2 0.207 4.156 3.960 -0.019 0.000 0.299 299 G HA3 0.207 4.156 3.960 -0.019 0.000 0.299 299 G C -2.143 172.704 174.900 -0.089 0.000 1.544 299 G CA -0.698 44.427 45.100 0.041 0.000 0.860 299 G HN 0.196 nan 8.290 nan 0.000 0.610 300 Q N 0.195 119.739 119.800 -0.427 0.000 2.325 300 Q HA 0.558 4.887 4.340 -0.019 0.000 0.262 300 Q C 0.360 176.209 176.000 -0.252 0.000 0.968 300 Q CA 0.420 55.813 55.803 -0.684 0.000 0.877 300 Q CB 1.273 29.282 28.738 -1.216 0.000 1.253 300 Q HN 2.413 nan 8.270 nan 0.000 0.448 301 G N 3.009 111.791 108.800 -0.031 0.000 2.767 301 G HA2 -0.261 3.688 3.960 -0.019 0.000 0.686 301 G HA3 -0.261 3.688 3.960 -0.019 0.000 0.686 301 G C 0.089 174.997 174.900 0.012 0.000 1.213 301 G CA 0.021 45.164 45.100 0.071 0.000 0.803 301 G HN 0.815 nan 8.290 nan 0.000 0.603 302 K N 1.161 121.562 120.400 0.002 0.000 2.127 302 K HA -0.104 4.205 4.320 -0.019 0.000 0.208 302 K C 2.932 179.410 176.600 -0.204 0.000 1.047 302 K CA 2.600 58.721 56.287 -0.276 0.000 0.927 302 K CB -0.325 32.118 32.500 -0.096 0.000 0.716 302 K HN 1.169 nan 8.250 nan 0.000 0.450 303 A N 1.194 123.954 122.820 -0.099 0.000 1.873 303 A HA -0.262 4.046 4.320 -0.019 0.000 0.218 303 A C 1.779 179.323 177.584 -0.066 0.000 1.193 303 A CA 2.234 54.232 52.037 -0.065 0.000 0.629 303 A CB -0.877 18.099 19.000 -0.041 0.000 0.826 303 A HN 0.557 nan 8.150 nan 0.000 0.447 304 N N -0.350 118.303 118.700 -0.077 0.000 2.216 304 N HA 0.056 4.785 4.740 -0.019 0.000 0.183 304 N C 1.915 177.411 175.510 -0.024 0.000 1.017 304 N CA 1.024 54.050 53.050 -0.042 0.000 0.861 304 N CB -0.256 38.199 38.487 -0.053 0.000 0.986 304 N HN 0.486 nan 8.380 nan 0.000 0.428 305 A N 0.415 123.153 122.820 -0.137 0.000 1.940 305 A HA -0.158 4.151 4.320 -0.019 0.000 0.219 305 A C 2.217 179.773 177.584 -0.045 0.000 1.176 305 A CA 1.806 53.748 52.037 -0.158 0.000 0.631 305 A CB -1.060 17.600 19.000 -0.566 0.000 0.814 305 A HN 0.234 nan 8.150 nan 0.000 0.446 306 T N 0.366 114.868 114.554 -0.086 0.000 2.708 306 T HA -0.046 4.293 4.350 -0.019 0.000 0.266 306 T C 2.211 176.898 174.700 -0.022 0.000 1.037 306 T CA 1.649 63.740 62.100 -0.016 0.000 1.146 306 T CB -0.472 68.394 68.868 -0.003 0.000 0.865 306 T HN 0.611 nan 8.240 nan 0.000 0.435 307 A N 0.162 122.977 122.820 -0.007 0.000 1.972 307 A HA -0.094 4.215 4.320 -0.019 0.000 0.219 307 A C 2.038 179.609 177.584 -0.023 0.000 1.169 307 A CA 1.350 53.374 52.037 -0.022 0.000 0.635 307 A CB -1.077 17.927 19.000 0.007 0.000 0.810 307 A HN 0.706 nan 8.150 nan 0.000 0.446 308 W N 0.409 121.635 121.300 -0.122 0.000 2.388 308 W HA -0.091 4.558 4.660 -0.019 0.000 0.294 308 W C 1.708 178.127 176.519 -0.166 0.000 1.212 308 W CA 1.710 58.992 57.345 -0.104 0.000 1.271 308 W CB -0.152 29.277 29.460 -0.051 0.000 1.126 308 W HN 0.251 nan 8.180 nan 0.000 0.535 309 L N 0.424 121.623 121.223 -0.041 0.000 2.156 309 L HA -0.169 4.160 4.340 -0.019 0.000 0.208 309 L C 2.460 178.882 176.870 -0.746 0.000 1.095 309 L CA 1.272 55.935 54.840 -0.295 0.000 0.770 309 L CB -0.739 41.263 42.059 -0.095 0.000 0.914 309 L HN -0.114 nan 8.230 nan 0.000 0.439 310 K N 0.114 120.011 120.400 -0.839 0.000 2.063 310 K HA -0.216 4.093 4.320 -0.019 0.000 0.208 310 K C 1.613 177.941 176.600 -0.454 0.000 1.048 310 K CA 1.895 57.727 56.287 -0.757 0.000 0.928 310 K CB -0.155 32.104 32.500 -0.402 0.000 0.713 310 K HN 0.225 nan 8.250 nan 0.000 0.442 311 D N 0.318 120.465 120.400 -0.422 0.000 2.178 311 D HA -0.067 4.562 4.640 -0.019 0.000 0.202 311 D C -0.183 175.838 176.300 -0.465 0.000 0.974 311 D CA 0.966 54.732 54.000 -0.389 0.000 0.841 311 D CB 0.001 40.570 40.800 -0.384 0.000 0.953 311 D HN 0.141 nan 8.370 nan 0.000 0.478 312 N N 0.036 118.349 118.700 -0.644 0.000 2.976 312 N HA 0.203 4.932 4.740 -0.019 0.000 0.255 312 N C -2.182 173.115 175.510 -0.355 0.000 1.312 312 N CA -1.093 51.610 53.050 -0.579 0.000 0.897 312 N CB 1.700 39.590 38.487 -0.996 0.000 1.184 312 N HN -0.029 nan 8.380 nan 0.000 0.497 313 P HA -0.108 nan 4.420 nan 0.000 0.221 313 P C 0.879 178.157 177.300 -0.037 0.000 1.150 313 P CA 1.010 64.055 63.100 -0.092 0.000 0.800 313 P CB 0.456 32.122 31.700 -0.056 0.000 0.787 314 E N -0.550 119.613 120.200 -0.062 0.000 2.072 314 E HA -0.092 4.246 4.350 -0.019 0.000 0.191 314 E C 1.732 178.337 176.600 0.007 0.000 0.985 314 E CA 1.479 57.868 56.400 -0.018 0.000 0.801 314 E CB -1.782 27.906 29.700 -0.020 0.000 0.750 314 E HN 0.257 nan 8.360 nan 0.000 0.452 315 T N 1.711 116.253 114.554 -0.019 0.000 2.857 315 T HA 0.018 4.357 4.350 -0.019 0.000 0.266 315 T C 2.075 176.779 174.700 0.007 0.000 1.048 315 T CA 1.308 63.426 62.100 0.031 0.000 1.139 315 T CB -0.236 68.668 68.868 0.060 0.000 0.874 315 T HN 0.310 nan 8.240 nan 0.000 0.455 316 A N 2.338 125.162 122.820 0.006 0.000 1.883 316 A HA -0.149 4.159 4.320 -0.019 0.000 0.217 316 A C 2.315 179.972 177.584 0.123 0.000 1.186 316 A CA 1.279 53.376 52.037 0.100 0.000 0.624 316 A CB -0.365 18.773 19.000 0.231 0.000 0.822 316 A HN 0.208 nan 8.150 nan 0.000 0.444 317 K N -0.192 120.269 120.400 0.102 0.000 2.063 317 K HA -0.197 4.111 4.320 -0.019 0.000 0.208 317 K C 1.935 178.580 176.600 0.075 0.000 1.048 317 K CA 1.654 57.994 56.287 0.088 0.000 0.928 317 K CB -0.485 32.049 32.500 0.057 0.000 0.713 317 K HN 0.794 nan 8.250 nan 0.000 0.442 318 E N 0.677 120.918 120.200 0.070 0.000 2.051 318 E HA -0.146 4.193 4.350 -0.019 0.000 0.192 318 E C 2.125 178.773 176.600 0.080 0.000 0.991 318 E CA 0.969 57.419 56.400 0.083 0.000 0.799 318 E CB -0.027 29.742 29.700 0.115 0.000 0.748 318 E HN 0.231 nan 8.360 nan 0.000 0.449 319 I N 0.967 121.564 120.570 0.045 0.000 2.226 319 I HA -0.235 3.924 4.170 -0.019 0.000 0.245 319 I C 2.717 178.858 176.117 0.039 0.000 1.100 319 I CA 1.164 62.477 61.300 0.022 0.000 1.374 319 I CB -0.414 37.536 38.000 -0.084 0.000 1.057 319 I HN 0.247 nan 8.210 nan 0.000 0.413 320 E N 1.680 121.912 120.200 0.054 0.000 2.058 320 E HA -0.311 4.027 4.350 -0.019 0.000 0.194 320 E C 2.245 178.879 176.600 0.056 0.000 0.997 320 E CA 1.565 58.001 56.400 0.060 0.000 0.801 320 E CB -0.014 29.763 29.700 0.129 0.000 0.746 320 E HN 0.326 nan 8.360 nan 0.000 0.450 321 K N 0.633 121.070 120.400 0.061 0.000 2.063 321 K HA -0.216 4.093 4.320 -0.019 0.000 0.208 321 K C 2.124 178.752 176.600 0.048 0.000 1.048 321 K CA 1.719 58.038 56.287 0.052 0.000 0.928 321 K CB 0.035 32.566 32.500 0.052 0.000 0.713 321 K HN -0.039 nan 8.250 nan 0.000 0.442 322 K N -0.042 120.391 120.400 0.055 0.000 2.057 322 K HA -0.070 4.239 4.320 -0.019 0.000 0.206 322 K C 1.968 178.595 176.600 0.044 0.000 1.050 322 K CA 1.114 57.434 56.287 0.056 0.000 0.935 322 K CB 0.062 32.608 32.500 0.076 0.000 0.715 322 K HN -0.038 nan 8.250 nan 0.000 0.439 323 V N 1.327 121.263 119.914 0.037 0.000 2.287 323 V HA -0.280 3.829 4.120 -0.019 0.000 0.248 323 V C 2.189 178.295 176.094 0.020 0.000 1.053 323 V CA 1.755 64.069 62.300 0.023 0.000 1.027 323 V CB -0.434 31.390 31.823 0.002 0.000 0.646 323 V HN 0.281 nan 8.190 nan 0.000 0.447 324 R N -0.245 120.269 120.500 0.023 0.000 2.073 324 R HA -0.186 4.142 4.340 -0.019 0.000 0.234 324 R C 2.353 178.667 176.300 0.023 0.000 1.134 324 R CA 1.833 57.946 56.100 0.023 0.000 0.952 324 R CB -0.353 29.965 30.300 0.029 0.000 0.850 324 R HN 0.604 nan 8.270 nan 0.000 0.433 325 E N 0.603 120.819 120.200 0.027 0.000 2.085 325 E HA -0.206 4.133 4.350 -0.019 0.000 0.194 325 E C 2.024 178.639 176.600 0.024 0.000 0.994 325 E CA 1.171 57.587 56.400 0.026 0.000 0.801 325 E CB -0.101 29.616 29.700 0.029 0.000 0.743 325 E HN 0.282 nan 8.360 nan 0.000 0.453 326 L N 0.010 121.248 121.223 0.026 0.000 2.093 326 L HA -0.142 4.187 4.340 -0.019 0.000 0.208 326 L C 2.054 178.936 176.870 0.020 0.000 1.085 326 L CA 0.884 55.738 54.840 0.024 0.000 0.755 326 L CB 0.017 42.092 42.059 0.027 0.000 0.904 326 L HN 0.168 nan 8.230 nan 0.000 0.435 327 L N -1.438 119.796 121.223 0.019 0.000 2.749 327 L HA 0.187 4.516 4.340 -0.019 0.000 0.242 327 L C 0.375 177.255 176.870 0.015 0.000 1.103 327 L CA -0.281 54.569 54.840 0.016 0.000 0.906 327 L CB 0.546 42.613 42.059 0.014 0.000 1.228 327 L HN 0.056 nan 8.230 nan 0.000 0.517 328 L N 0.988 122.220 121.223 0.016 0.000 2.369 328 L HA 0.067 4.396 4.340 -0.019 0.000 0.279 328 L C 1.573 178.451 176.870 0.014 0.000 1.108 328 L CA -0.133 54.716 54.840 0.014 0.000 0.852 328 L CB 1.362 43.430 42.059 0.014 0.000 1.169 328 L HN 0.209 nan 8.230 nan 0.000 0.452 329 S N 2.062 117.770 115.700 0.013 0.000 2.371 329 S HA -0.057 4.402 4.470 -0.019 0.000 0.224 329 S C 0.720 175.327 174.600 0.012 0.000 1.029 329 S CA 0.323 58.531 58.200 0.013 0.000 0.978 329 S CB -0.165 63.044 63.200 0.014 0.000 0.833 329 S HN 0.657 nan 8.310 nan 0.000 0.466 330 N N 3.274 121.980 118.700 0.010 0.000 2.437 330 N HA 0.528 5.257 4.740 -0.019 0.000 0.259 330 N C -3.054 172.462 175.510 0.009 0.000 0.983 330 N CA -1.665 51.390 53.050 0.009 0.000 0.937 330 N CB 0.980 39.471 38.487 0.006 0.000 1.122 330 N HN 0.242 nan 8.380 nan 0.000 0.499 331 P HA 0.102 nan 4.420 nan 0.000 0.271 331 P C 0.647 177.952 177.300 0.008 0.000 1.216 331 P CA -0.317 62.789 63.100 0.010 0.000 0.776 331 P CB 0.869 32.575 31.700 0.010 0.000 0.881 332 N N 0.536 119.241 118.700 0.008 0.000 2.331 332 N HA -0.058 4.671 4.740 -0.019 0.000 0.180 332 N C 0.093 175.607 175.510 0.006 0.000 1.019 332 N CA 0.803 53.857 53.050 0.006 0.000 0.881 332 N CB 0.342 38.832 38.487 0.006 0.000 0.972 332 N HN 0.571 nan 8.380 nan 0.000 0.435 1002 I N 1.402 121.970 120.570 -0.002 0.000 2.494 1002 I HA 0.009 4.168 4.170 -0.019 0.000 0.250 1002 I C 1.818 177.933 176.117 -0.003 0.000 1.112 1002 I CA 1.514 62.813 61.300 -0.002 0.000 1.438 1002 I CB -0.182 37.816 38.000 -0.003 0.000 1.111 1002 I HN 0.427 nan 8.210 nan 0.000 0.431 1003 D N 0.622 121.020 120.400 -0.004 0.000 2.348 1003 D HA -0.104 4.525 4.640 -0.019 0.000 0.211 1003 D C 1.615 177.913 176.300 -0.003 0.000 0.998 1003 D CA 0.584 54.582 54.000 -0.004 0.000 0.873 1003 D CB -0.278 40.518 40.800 -0.006 0.000 0.925 1003 D HN 0.335 nan 8.370 nan 0.000 0.524 1004 E N 0.082 120.280 120.200 -0.003 0.000 2.158 1004 E HA -0.012 4.327 4.350 -0.019 0.000 0.191 1004 E C 1.640 178.239 176.600 -0.001 0.000 0.982 1004 E CA 0.384 56.783 56.400 -0.002 0.000 0.823 1004 E CB 0.004 29.703 29.700 -0.002 0.000 0.766 1004 E HN 0.163 nan 8.360 nan 0.000 0.468 1005 N N 0.909 119.609 118.700 -0.001 0.000 2.244 1005 N HA -0.123 4.606 4.740 -0.019 0.000 0.183 1005 N C 1.391 176.901 175.510 -0.000 0.000 1.016 1005 N CA 0.941 53.990 53.050 -0.000 0.000 0.866 1005 N CB 0.056 38.543 38.487 -0.000 0.000 0.980 1005 N HN 0.151 nan 8.380 nan 0.000 0.430 1006 K N 0.967 121.366 120.400 -0.001 0.000 2.026 1006 K HA -0.086 4.223 4.320 -0.019 0.000 0.208 1006 K C 2.054 178.654 176.600 -0.000 0.000 1.048 1006 K CA 1.028 57.315 56.287 -0.001 0.000 0.929 1006 K CB -0.061 32.437 32.500 -0.002 0.000 0.713 1006 K HN 0.291 nan 8.250 nan 0.000 0.439 1007 Q N 0.698 120.497 119.800 -0.001 0.000 2.119 1007 Q HA -0.161 4.168 4.340 -0.019 0.000 0.201 1007 Q C 2.112 178.113 176.000 0.001 0.000 0.972 1007 Q CA 1.172 56.975 55.803 -0.000 0.000 0.847 1007 Q CB -0.047 28.690 28.738 -0.001 0.000 0.903 1007 Q HN 0.231 nan 8.270 nan 0.000 0.433 1008 K N 0.741 121.142 120.400 0.001 0.000 2.044 1008 K HA -0.191 4.118 4.320 -0.019 0.000 0.210 1008 K C 1.916 178.517 176.600 0.002 0.000 1.049 1008 K CA 1.457 57.745 56.287 0.001 0.000 0.927 1008 K CB -0.127 32.373 32.500 0.001 0.000 0.713 1008 K HN 0.165 nan 8.250 nan 0.000 0.443 1009 A N 0.796 123.618 122.820 0.002 0.000 2.016 1009 A HA -0.024 4.285 4.320 -0.019 0.000 0.217 1009 A C 1.961 179.548 177.584 0.005 0.000 1.162 1009 A CA 0.728 52.768 52.037 0.004 0.000 0.662 1009 A CB -0.370 18.632 19.000 0.003 0.000 0.812 1009 A HN 0.393 nan 8.150 nan 0.000 0.450 1010 L N -0.060 121.166 121.223 0.004 0.000 1.988 1010 L HA -0.029 4.300 4.340 -0.019 0.000 0.207 1010 L C 2.674 179.549 176.870 0.008 0.000 1.071 1010 L CA 2.261 57.105 54.840 0.006 0.000 0.744 1010 L CB -0.683 41.379 42.059 0.004 0.000 0.893 1010 L HN 0.292 nan 8.230 nan 0.000 0.433 1011 A N -0.294 122.530 122.820 0.007 0.000 1.940 1011 A HA -0.192 4.117 4.320 -0.019 0.000 0.219 1011 A C 2.445 180.034 177.584 0.009 0.000 1.176 1011 A CA 2.021 54.062 52.037 0.008 0.000 0.631 1011 A CB -1.312 17.691 19.000 0.005 0.000 0.814 1011 A HN 0.654 nan 8.150 nan 0.000 0.446 1012 A N -0.277 122.547 122.820 0.007 0.000 1.908 1012 A HA 0.118 4.427 4.320 -0.019 0.000 0.218 1012 A C 2.494 180.085 177.584 0.011 0.000 1.181 1012 A CA 2.252 54.293 52.037 0.007 0.000 0.627 1012 A CB -0.942 18.061 19.000 0.005 0.000 0.818 1012 A HN 1.071 nan 8.150 nan 0.000 0.445 1013 A N -0.906 121.923 122.820 0.014 0.000 1.897 1013 A HA 0.112 4.421 4.320 -0.019 0.000 0.215 1013 A C 2.031 179.634 177.584 0.031 0.000 1.181 1013 A CA 1.448 53.499 52.037 0.022 0.000 0.620 1013 A CB -0.530 18.483 19.000 0.022 0.000 0.821 1013 A HN 0.383 nan 8.150 nan 0.000 0.443 1014 L N 0.071 121.310 121.223 0.027 0.000 2.046 1014 L HA -0.091 4.238 4.340 -0.019 0.000 0.208 1014 L C 2.729 179.618 176.870 0.033 0.000 1.077 1014 L CA 1.880 56.740 54.840 0.033 0.000 0.747 1014 L CB -0.911 41.162 42.059 0.025 0.000 0.896 1014 L HN 0.416 nan 8.230 nan 0.000 0.432 1015 G N -1.369 107.444 108.800 0.021 0.000 2.421 1015 G HA2 -0.353 3.596 3.960 -0.019 0.000 0.216 1015 G HA3 -0.353 3.596 3.960 -0.019 0.000 0.216 1015 G C 1.495 176.401 174.900 0.009 0.000 1.171 1015 G CA 0.892 46.000 45.100 0.014 0.000 0.775 1015 G HN 0.431 nan 8.290 nan 0.000 0.543 1016 Q N 0.637 120.443 119.800 0.009 0.000 2.096 1016 Q HA -0.072 4.257 4.340 -0.019 0.000 0.204 1016 Q C 2.309 178.309 176.000 0.000 0.000 0.982 1016 Q CA 1.589 57.390 55.803 -0.003 0.000 0.850 1016 Q CB -0.491 28.249 28.738 0.004 0.000 0.901 1016 Q HN 0.539 nan 8.270 nan 0.000 0.422 1017 I N 0.384 120.989 120.570 0.058 0.000 2.179 1017 I HA -0.235 3.924 4.170 -0.019 0.000 0.242 1017 I C 2.338 178.538 176.117 0.138 0.000 1.088 1017 I CA 1.636 63.028 61.300 0.153 0.000 1.357 1017 I CB -0.358 37.748 38.000 0.177 0.000 1.051 1017 I HN 0.332 nan 8.210 nan 0.000 0.409 1018 E N 0.618 120.867 120.200 0.082 0.000 2.106 1018 E HA -0.237 4.102 4.350 -0.019 0.000 0.192 1018 E C 2.090 178.702 176.600 0.020 0.000 0.984 1018 E CA 0.856 57.297 56.400 0.068 0.000 0.806 1018 E CB -0.068 29.660 29.700 0.048 0.000 0.750 1018 E HN 0.380 nan 8.360 nan 0.000 0.458 1019 K N 0.672 121.062 120.400 -0.018 0.000 2.217 1019 K HA -0.116 4.193 4.320 -0.019 0.000 0.202 1019 K C 2.077 178.603 176.600 -0.123 0.000 1.051 1019 K CA 0.803 57.058 56.287 -0.053 0.000 0.952 1019 K CB 0.203 32.674 32.500 -0.048 0.000 0.736 1019 K HN 0.095 nan 8.250 nan 0.000 0.453 1020 Q N -1.140 118.528 119.800 -0.221 0.000 2.165 1020 Q HA -0.014 4.315 4.340 -0.019 0.000 0.197 1020 Q C 0.474 176.099 176.000 -0.625 0.000 0.952 1020 Q CA 0.905 56.392 55.803 -0.527 0.000 0.848 1020 Q CB 0.396 28.612 28.738 -0.870 0.000 0.931 1020 Q HN 0.222 nan 8.270 nan 0.000 0.470 1021 F N -0.343 119.613 119.950 0.009 0.000 2.735 1021 F HA 0.379 4.895 4.527 -0.018 0.000 0.304 1021 F C 0.757 176.566 175.800 0.014 0.000 1.119 1021 F CA 0.222 58.229 58.000 0.012 0.000 1.280 1021 F CB 0.972 39.980 39.000 0.013 0.000 0.994 1021 F HN 0.034 nan 8.300 nan 0.000 0.520 1022 G N 0.436 109.301 108.800 0.108 0.000 2.710 1022 G HA2 -0.204 3.745 3.960 -0.019 0.000 0.668 1022 G HA3 -0.204 3.745 3.960 -0.019 0.000 0.668 1022 G C 0.778 175.721 174.900 0.071 0.000 1.320 1022 G CA -0.592 44.554 45.100 0.077 0.000 0.860 1022 G HN -0.008 nan 8.290 nan 0.000 0.538 1023 K N 0.102 120.534 120.400 0.052 0.000 1.976 1023 K HA -0.182 4.127 4.320 -0.019 0.000 0.233 1023 K C 1.971 178.600 176.600 0.048 0.000 1.012 1023 K CA 2.159 58.471 56.287 0.042 0.000 1.049 1023 K CB -0.953 31.568 32.500 0.036 0.000 0.722 1023 K HN 1.497 nan 8.250 nan 0.000 0.465 1024 G N 0.998 109.828 108.800 0.050 0.000 4.420 1024 G HA2 0.202 4.151 3.960 -0.019 0.000 0.299 1024 G HA3 0.202 4.151 3.960 -0.019 0.000 0.299 1024 G C 0.879 175.812 174.900 0.056 0.000 1.343 1024 G CA 0.084 45.213 45.100 0.048 0.000 1.272 1024 G HN 0.322 nan 8.290 nan 0.000 0.610 1025 S N -0.068 115.677 115.700 0.074 0.000 2.423 1025 S HA 0.118 4.577 4.470 -0.019 0.000 0.231 1025 S C 0.804 175.435 174.600 0.051 0.000 1.014 1025 S CA 0.323 58.570 58.200 0.078 0.000 0.965 1025 S CB 0.337 63.623 63.200 0.145 0.000 0.785 1025 S HN 0.443 nan 8.310 nan 0.000 0.495 1026 I N 1.305 121.908 120.570 0.054 0.000 2.607 1026 I HA 0.595 4.753 4.170 -0.019 0.000 0.290 1026 I C -1.260 174.877 176.117 0.034 0.000 1.129 1026 I CA -1.295 60.028 61.300 0.038 0.000 1.042 1026 I CB 1.901 39.924 38.000 0.038 0.000 1.242 1026 I HN 0.377 nan 8.210 nan 0.000 0.421 1027 M N 4.360 123.976 119.600 0.027 0.000 2.880 1027 M HA 0.588 5.056 4.480 -0.019 0.000 0.269 1027 M C -1.265 175.045 176.300 0.017 0.000 1.248 1027 M CA -1.088 54.224 55.300 0.022 0.000 0.821 1027 M CB 1.458 34.070 32.600 0.021 0.000 1.650 1027 M HN 0.295 nan 8.290 nan 0.000 0.479 1028 R N 1.144 121.650 120.500 0.011 0.000 2.442 1028 R HA 0.299 4.628 4.340 -0.019 0.000 0.291 1028 R C 0.965 177.264 176.300 -0.001 0.000 1.069 1028 R CA -0.165 55.937 56.100 0.004 0.000 1.022 1028 R CB 0.357 30.657 30.300 0.000 0.000 0.976 1028 R HN 0.703 nan 8.270 nan 0.000 0.443 1029 L N 2.303 123.520 121.223 -0.010 0.000 2.043 1029 L HA -0.188 4.141 4.340 -0.019 0.000 0.212 1029 L C 1.790 178.647 176.870 -0.021 0.000 1.075 1029 L CA 2.206 57.032 54.840 -0.023 0.000 0.752 1029 L CB -0.495 41.532 42.059 -0.052 0.000 0.891 1029 L HN 0.992 nan 8.230 nan 0.000 0.432 1030 G N -0.340 108.448 108.800 -0.020 0.000 2.470 1030 G HA2 -0.256 3.692 3.960 -0.019 0.000 0.220 1030 G HA3 -0.256 3.692 3.960 -0.019 0.000 0.220 1030 G C 1.188 176.083 174.900 -0.009 0.000 1.121 1030 G CA 0.851 45.941 45.100 -0.017 0.000 0.766 1030 G HN 0.725 nan 8.290 nan 0.000 0.553 1031 E N -0.305 119.892 120.200 -0.005 0.000 2.498 1031 E HA 0.086 4.425 4.350 -0.019 0.000 0.203 1031 E C -0.295 176.308 176.600 0.004 0.000 1.013 1031 E CA -0.439 55.961 56.400 0.000 0.000 0.927 1031 E CB 0.230 29.931 29.700 0.002 0.000 1.012 1031 E HN 0.134 nan 8.360 nan 0.000 0.482 1032 D N 1.816 122.218 120.400 0.004 0.000 2.344 1032 D HA 0.040 4.669 4.640 -0.019 0.000 0.253 1032 D C 0.727 177.033 176.300 0.010 0.000 1.255 1032 D CA -0.128 53.878 54.000 0.009 0.000 0.894 1032 D CB 0.792 41.599 40.800 0.010 0.000 1.067 1032 D HN -0.057 nan 8.370 nan 0.000 0.492 1033 R N 1.699 122.206 120.500 0.012 0.000 2.090 1033 R HA -0.080 4.249 4.340 -0.019 0.000 0.228 1033 R C 1.925 178.235 176.300 0.016 0.000 1.110 1033 R CA 0.773 56.880 56.100 0.012 0.000 0.973 1033 R CB -0.922 29.385 30.300 0.012 0.000 0.869 1033 R HN 0.489 nan 8.270 nan 0.000 0.440 1034 S N -0.379 115.335 115.700 0.023 0.000 2.595 1034 S HA -0.067 4.392 4.470 -0.019 0.000 0.235 1034 S C 1.659 176.279 174.600 0.035 0.000 0.974 1034 S CA 0.629 58.847 58.200 0.030 0.000 0.942 1034 S CB -0.041 63.182 63.200 0.039 0.000 0.766 1034 S HN 0.088 nan 8.310 nan 0.000 0.536 1035 M N 1.662 121.277 119.600 0.025 0.000 2.465 1035 M HA 0.289 4.758 4.480 -0.019 0.000 0.249 1035 M C -0.651 175.659 176.300 0.016 0.000 1.130 1035 M CA 0.123 55.436 55.300 0.022 0.000 1.067 1035 M CB 0.172 32.777 32.600 0.008 0.000 1.394 1035 M HN 0.027 nan 8.290 nan 0.000 0.483 1036 D N 0.901 121.309 120.400 0.014 0.000 2.424 1036 D HA 0.066 4.694 4.640 -0.019 0.000 0.244 1036 D C -0.437 175.870 176.300 0.012 0.000 1.134 1036 D CA 0.193 54.199 54.000 0.010 0.000 0.881 1036 D CB 1.034 41.840 40.800 0.009 0.000 1.191 1036 D HN -0.104 nan 8.370 nan 0.000 0.445 1037 V N 3.074 122.993 119.914 0.009 0.000 2.455 1037 V HA 0.072 4.181 4.120 -0.019 0.000 0.273 1037 V C 0.630 176.726 176.094 0.003 0.000 1.045 1037 V CA 0.022 62.325 62.300 0.006 0.000 0.976 1037 V CB 0.788 32.611 31.823 0.000 0.000 0.993 1037 V HN 0.434 nan 8.190 nan 0.000 0.475 1038 E N 3.813 124.014 120.200 0.002 0.000 2.199 1038 E HA 0.595 4.934 4.350 -0.019 0.000 0.269 1038 E C -0.573 176.024 176.600 -0.006 0.000 0.899 1038 E CA -0.502 55.898 56.400 -0.001 0.000 0.772 1038 E CB 2.175 31.876 29.700 0.000 0.000 1.155 1038 E HN 0.782 nan 8.360 nan 0.000 0.408 1039 T N 1.130 115.679 114.554 -0.009 0.000 2.942 1039 T HA 0.621 4.959 4.350 -0.019 0.000 0.289 1039 T C -0.221 174.469 174.700 -0.018 0.000 1.044 1039 T CA -0.859 61.233 62.100 -0.013 0.000 1.023 1039 T CB 1.093 69.953 68.868 -0.014 0.000 1.123 1039 T HN 0.280 nan 8.240 nan 0.000 0.512 1040 I N 1.765 122.321 120.570 -0.022 0.000 2.509 1040 I HA 0.416 4.575 4.170 -0.019 0.000 0.293 1040 I C 0.730 176.826 176.117 -0.034 0.000 1.020 1040 I CA -0.719 60.563 61.300 -0.030 0.000 1.088 1040 I CB 1.800 39.781 38.000 -0.031 0.000 1.267 1040 I HN 0.958 nan 8.210 nan 0.000 0.430 1041 S N 2.854 118.527 115.700 -0.044 0.000 2.568 1041 S HA 0.065 4.524 4.470 -0.019 0.000 0.282 1041 S C 1.345 175.910 174.600 -0.058 0.000 1.338 1041 S CA 0.366 58.536 58.200 -0.050 0.000 1.045 1041 S CB 0.435 63.590 63.200 -0.074 0.000 0.873 1041 S HN 0.795 nan 8.310 nan 0.000 0.516 1042 T N 1.410 115.931 114.554 -0.055 0.000 3.081 1042 T HA 0.357 4.696 4.350 -0.019 0.000 0.255 1042 T C 1.519 176.159 174.700 -0.100 0.000 1.113 1042 T CA 0.654 62.715 62.100 -0.064 0.000 1.082 1042 T CB -0.307 68.527 68.868 -0.055 0.000 0.939 1042 T HN 1.612 nan 8.240 nan 0.000 0.506 1043 G N 0.806 109.538 108.800 -0.114 0.000 2.234 1043 G HA2 -0.234 3.715 3.960 -0.019 0.000 0.235 1043 G HA3 -0.234 3.715 3.960 -0.019 0.000 0.235 1043 G C 0.236 175.069 174.900 -0.110 0.000 0.997 1043 G CA 0.175 45.181 45.100 -0.157 0.000 0.623 1043 G HN 1.045 nan 8.290 nan 0.000 0.514 1044 S N 0.034 115.637 115.700 -0.163 0.000 2.437 1044 S HA 0.631 5.090 4.470 -0.019 0.000 0.305 1044 S C 1.225 175.797 174.600 -0.045 0.000 1.109 1044 S CA 0.099 58.158 58.200 -0.235 0.000 1.099 1044 S CB 1.526 64.317 63.200 -0.682 0.000 1.004 1044 S HN 1.031 nan 8.310 nan 0.000 0.475 1045 L N 5.836 127.040 121.223 -0.033 0.000 2.027 1045 L HA 0.031 4.359 4.340 -0.019 0.000 0.206 1045 L C 2.561 179.396 176.870 -0.058 0.000 1.074 1045 L CA 2.687 57.494 54.840 -0.056 0.000 0.745 1045 L CB -1.006 40.826 42.059 -0.379 0.000 0.898 1045 L HN 0.896 nan 8.230 nan 0.000 0.433 1046 S N -1.048 114.614 115.700 -0.062 0.000 2.423 1046 S HA -0.192 4.267 4.470 -0.019 0.000 0.231 1046 S C 2.099 176.726 174.600 0.045 0.000 1.014 1046 S CA 1.337 59.542 58.200 0.009 0.000 0.965 1046 S CB -0.966 62.269 63.200 0.058 0.000 0.785 1046 S HN 0.512 nan 8.310 nan 0.000 0.495 1047 L N 1.398 122.648 121.223 0.046 0.000 2.027 1047 L HA -0.098 4.231 4.340 -0.019 0.000 0.206 1047 L C 2.000 178.879 176.870 0.015 0.000 1.074 1047 L CA 1.942 56.813 54.840 0.053 0.000 0.745 1047 L CB -0.627 41.458 42.059 0.044 0.000 0.898 1047 L HN 0.237 nan 8.230 nan 0.000 0.433 1048 D N 0.127 120.528 120.400 0.001 0.000 2.182 1048 D HA -0.206 4.423 4.640 -0.019 0.000 0.201 1048 D C 2.130 178.432 176.300 0.003 0.000 0.986 1048 D CA 1.376 55.377 54.000 0.001 0.000 0.847 1048 D CB -0.065 40.743 40.800 0.012 0.000 0.942 1048 D HN 0.397 nan 8.370 nan 0.000 0.467 1049 I N 0.910 121.484 120.570 0.006 0.000 2.233 1049 I HA -0.191 3.968 4.170 -0.019 0.000 0.243 1049 I C 2.506 178.629 176.117 0.010 0.000 1.093 1049 I CA 0.913 62.218 61.300 0.008 0.000 1.380 1049 I CB -0.235 37.770 38.000 0.008 0.000 1.067 1049 I HN -0.095 nan 8.210 nan 0.000 0.413 1050 A N 0.829 123.659 122.820 0.015 0.000 1.940 1050 A HA -0.184 4.125 4.320 -0.019 0.000 0.219 1050 A C 2.264 179.841 177.584 -0.012 0.000 1.176 1050 A CA 1.525 53.569 52.037 0.013 0.000 0.631 1050 A CB -0.976 18.040 19.000 0.027 0.000 0.814 1050 A HN 0.421 nan 8.150 nan 0.000 0.446 1051 L N -1.551 119.661 121.223 -0.018 0.000 2.456 1051 L HA 0.014 4.342 4.340 -0.019 0.000 0.224 1051 L C 2.164 179.007 176.870 -0.046 0.000 1.148 1051 L CA 0.680 55.495 54.840 -0.040 0.000 0.825 1051 L CB -0.354 41.685 42.059 -0.033 0.000 0.937 1051 L HN 0.662 nan 8.230 nan 0.000 0.450 1052 G N -0.283 108.501 108.800 -0.026 0.000 2.990 1052 G HA2 -0.437 3.512 3.960 -0.019 0.000 0.225 1052 G HA3 -0.437 3.512 3.960 -0.019 0.000 0.225 1052 G C 1.027 175.919 174.900 -0.013 0.000 1.304 1052 G CA 0.446 45.534 45.100 -0.020 0.000 0.816 1052 G HN 0.464 nan 8.290 nan 0.000 0.528 1053 A N 0.636 123.442 122.820 -0.023 0.000 2.275 1053 A HA 0.583 4.892 4.320 -0.019 0.000 0.212 1053 A C 2.431 180.009 177.584 -0.009 0.000 1.201 1053 A CA 1.755 53.783 52.037 -0.015 0.000 0.843 1053 A CB -0.533 18.453 19.000 -0.023 0.000 0.873 1053 A HN 2.628 nan 8.150 nan 0.000 0.492 1054 G N -2.612 106.184 108.800 -0.008 0.000 2.141 1054 G HA2 0.281 4.230 3.960 -0.019 0.000 0.242 1054 G HA3 0.281 4.230 3.960 -0.019 0.000 0.242 1054 G C 0.858 175.754 174.900 -0.007 0.000 0.982 1054 G CA 0.328 45.426 45.100 -0.002 0.000 0.662 1054 G HN 2.195 nan 8.290 nan 0.000 0.527 1055 G N -1.592 107.199 108.800 -0.015 0.000 2.341 1055 G HA2 0.508 4.457 3.960 -0.019 0.000 0.293 1055 G HA3 0.508 4.457 3.960 -0.019 0.000 0.293 1055 G C -0.654 174.232 174.900 -0.024 0.000 1.298 1055 G CA -0.500 44.589 45.100 -0.020 0.000 0.868 1055 G HN 0.887 nan 8.290 nan 0.000 0.540 1056 L N 1.767 122.976 121.223 -0.024 0.000 2.397 1056 L HA 0.412 4.741 4.340 -0.019 0.000 0.271 1056 L C -1.774 175.085 176.870 -0.019 0.000 1.148 1056 L CA -1.559 53.268 54.840 -0.023 0.000 0.825 1056 L CB 1.210 43.256 42.059 -0.021 0.000 1.117 1056 L HN 0.314 nan 8.230 nan 0.000 0.456 1057 P HA 0.202 nan 4.420 nan 0.000 0.290 1057 P C -0.802 176.496 177.300 -0.003 0.000 1.276 1057 P CA -0.605 62.489 63.100 -0.010 0.000 0.808 1057 P CB 0.999 32.693 31.700 -0.009 0.000 0.966 1058 M N 1.756 121.355 119.600 -0.002 0.000 2.238 1058 M HA 0.246 4.715 4.480 -0.019 0.000 0.347 1058 M C 1.569 177.875 176.300 0.010 0.000 1.173 1058 M CA 0.722 56.021 55.300 -0.001 0.000 1.147 1058 M CB -0.560 32.039 32.600 -0.003 0.000 1.547 1058 M HN 0.842 nan 8.290 nan 0.000 0.455 1059 G N 2.362 111.167 108.800 0.008 0.000 2.148 1059 G HA2 -0.205 3.744 3.960 -0.019 0.000 0.254 1059 G HA3 -0.205 3.744 3.960 -0.019 0.000 0.254 1059 G C 0.178 175.099 174.900 0.036 0.000 0.981 1059 G CA -0.037 45.074 45.100 0.019 0.000 0.670 1059 G HN 0.546 nan 8.290 nan 0.000 0.528 1060 R N -0.702 119.818 120.500 0.034 0.000 2.902 1060 R HA 0.773 5.102 4.340 -0.019 0.000 0.258 1060 R C 0.200 176.537 176.300 0.061 0.000 1.071 1060 R CA -1.181 54.953 56.100 0.057 0.000 1.024 1060 R CB 0.825 31.153 30.300 0.047 0.000 1.184 1060 R HN 0.217 nan 8.270 nan 0.000 0.492 1061 I N 0.713 121.347 120.570 0.106 0.000 2.392 1061 I HA 0.362 4.520 4.170 -0.019 0.000 0.295 1061 I C -0.244 175.952 176.117 0.131 0.000 0.985 1061 I CA -0.826 60.561 61.300 0.145 0.000 1.221 1061 I CB 1.753 39.899 38.000 0.242 0.000 1.366 1061 I HN -0.033 nan 8.210 nan 0.000 0.467 1062 V N 5.336 125.325 119.914 0.126 0.000 2.789 1062 V HA 0.394 4.503 4.120 -0.019 0.000 0.311 1062 V C -0.506 175.679 176.094 0.153 0.000 1.073 1062 V CA -0.649 61.709 62.300 0.096 0.000 0.921 1062 V CB 2.147 33.992 31.823 0.036 0.000 1.009 1062 V HN 0.741 nan 8.190 nan 0.000 0.426 1063 E N 3.705 123.986 120.200 0.134 0.000 2.210 1063 E HA 0.642 4.981 4.350 -0.019 0.000 0.266 1063 E C -1.648 175.011 176.600 0.098 0.000 0.883 1063 E CA -0.629 55.871 56.400 0.166 0.000 0.761 1063 E CB 1.776 31.588 29.700 0.187 0.000 1.156 1063 E HN 0.633 nan 8.360 nan 0.000 0.412 1064 I N 5.419 126.047 120.570 0.096 0.000 2.389 1064 I HA 0.327 4.486 4.170 -0.019 0.000 0.288 1064 I C -0.850 175.326 176.117 0.098 0.000 0.999 1064 I CA -0.909 60.403 61.300 0.021 0.000 1.129 1064 I CB 0.750 38.767 38.000 0.029 0.000 1.288 1064 I HN 0.466 nan 8.210 nan 0.000 0.444 1065 Y N 4.137 124.470 120.300 0.054 0.000 2.602 1065 Y HA 1.017 5.556 4.550 -0.019 0.000 0.342 1065 Y C -0.100 175.847 175.900 0.078 0.000 1.029 1065 Y CA -1.338 56.793 58.100 0.052 0.000 1.080 1065 Y CB 1.794 40.269 38.460 0.025 0.000 1.284 1065 Y HN 0.678 nan 8.280 nan 0.000 0.485 1066 G N 0.392 109.412 108.800 0.367 0.000 2.316 1066 G HA2 0.445 4.393 3.960 -0.019 0.000 0.296 1066 G HA3 0.445 4.393 3.960 -0.019 0.000 0.296 1066 G C -3.556 171.566 174.900 0.370 0.000 1.399 1066 G CA -1.321 43.957 45.100 0.296 0.000 0.833 1066 G HN 0.507 nan 8.290 nan 0.000 0.565 1067 P HA 0.318 nan 4.420 nan 0.000 0.274 1067 P C -0.296 177.039 177.300 0.058 0.000 1.260 1067 P CA -0.312 62.918 63.100 0.217 0.000 0.793 1067 P CB 0.266 32.012 31.700 0.077 0.000 1.048 1068 E N -0.591 119.303 120.200 -0.510 0.000 2.413 1068 E HA 0.160 4.499 4.350 -0.019 0.000 0.263 1068 E C 0.106 176.626 176.600 -0.133 0.000 1.015 1068 E CA -0.117 55.999 56.400 -0.474 0.000 0.916 1068 E CB -0.710 28.528 29.700 -0.770 0.000 0.947 1068 E HN 0.279 nan 8.360 nan 0.000 0.440 1069 S N 0.537 116.213 115.700 -0.039 0.000 3.533 1069 S HA -0.227 4.232 4.470 -0.019 0.000 0.347 1069 S C 0.972 175.617 174.600 0.076 0.000 1.101 1069 S CA 0.980 59.188 58.200 0.013 0.000 1.009 1069 S CB -1.767 61.414 63.200 -0.032 0.000 0.916 1069 S HN 0.729 nan 8.310 nan 0.000 0.496 1070 S N -0.351 115.403 115.700 0.090 0.000 2.478 1070 S HA 0.434 4.892 4.470 -0.019 0.000 0.222 1070 S C 1.550 176.222 174.600 0.120 0.000 1.008 1070 S CA 0.807 59.067 58.200 0.099 0.000 0.928 1070 S CB 0.507 63.765 63.200 0.097 0.000 0.781 1070 S HN 1.923 nan 8.310 nan 0.000 0.518 1071 G N 1.125 110.011 108.800 0.143 0.000 2.155 1071 G HA2 -0.155 3.794 3.960 -0.019 0.000 0.130 1071 G HA3 -0.155 3.794 3.960 -0.019 0.000 0.130 1071 G C 0.600 175.602 174.900 0.169 0.000 1.027 1071 G CA 0.075 45.280 45.100 0.176 0.000 0.705 1071 G HN 0.415 nan 8.290 nan 0.000 0.496 1072 K N 0.061 120.552 120.400 0.151 0.000 1.991 1072 K HA -0.073 4.236 4.320 -0.019 0.000 0.212 1072 K C 2.568 179.259 176.600 0.152 0.000 1.049 1072 K CA 2.033 58.404 56.287 0.140 0.000 0.932 1072 K CB -0.403 32.181 32.500 0.140 0.000 0.717 1072 K HN 0.299 nan 8.250 nan 0.000 0.441 1073 T N 0.870 115.527 114.554 0.171 0.000 2.674 1073 T HA -0.150 4.189 4.350 -0.019 0.000 0.265 1073 T C 2.051 176.866 174.700 0.192 0.000 1.039 1073 T CA 1.902 64.128 62.100 0.211 0.000 1.150 1073 T CB -0.580 68.415 68.868 0.212 0.000 0.864 1073 T HN 0.263 nan 8.240 nan 0.000 0.427 1074 T N 2.360 117.032 114.554 0.195 0.000 2.624 1074 T HA -0.118 4.221 4.350 -0.019 0.000 0.268 1074 T C 1.931 176.707 174.700 0.126 0.000 1.041 1074 T CA 1.401 63.615 62.100 0.190 0.000 1.159 1074 T CB -0.648 68.369 68.868 0.249 0.000 0.863 1074 T HN 0.200 nan 8.240 nan 0.000 0.434 1075 L N 0.275 121.580 121.223 0.137 0.000 1.989 1075 L HA -0.176 4.153 4.340 -0.019 0.000 0.211 1075 L C 2.721 179.629 176.870 0.064 0.000 1.071 1075 L CA 1.789 56.685 54.840 0.093 0.000 0.749 1075 L CB -0.873 41.261 42.059 0.125 0.000 0.890 1075 L HN 0.247 nan 8.230 nan 0.000 0.431 1076 T N 0.122 114.733 114.554 0.096 0.000 2.620 1076 T HA -0.290 4.049 4.350 -0.019 0.000 0.267 1076 T C 1.803 176.563 174.700 0.101 0.000 1.044 1076 T CA 2.308 64.470 62.100 0.105 0.000 1.161 1076 T CB -0.403 68.566 68.868 0.168 0.000 0.862 1076 T HN 0.305 nan 8.240 nan 0.000 0.438 1077 L N 0.722 122.006 121.223 0.102 0.000 2.083 1077 L HA -0.131 4.198 4.340 -0.019 0.000 0.209 1077 L C 3.029 179.888 176.870 -0.018 0.000 1.083 1077 L CA 1.106 55.965 54.840 0.032 0.000 0.752 1077 L CB -0.555 41.490 42.059 -0.024 0.000 0.899 1077 L HN 0.246 nan 8.230 nan 0.000 0.433 1078 Q N -0.315 119.470 119.800 -0.024 0.000 2.084 1078 Q HA -0.195 4.134 4.340 -0.019 0.000 0.202 1078 Q C 2.470 178.429 176.000 -0.070 0.000 0.978 1078 Q CA 2.003 57.767 55.803 -0.065 0.000 0.844 1078 Q CB -0.690 28.002 28.738 -0.076 0.000 0.898 1078 Q HN 0.585 nan 8.270 nan 0.000 0.426 1079 V N -0.768 119.121 119.914 -0.043 0.000 2.358 1079 V HA -0.196 3.912 4.120 -0.019 0.000 0.246 1079 V C 2.122 178.192 176.094 -0.039 0.000 1.047 1079 V CA 1.203 63.476 62.300 -0.045 0.000 1.035 1079 V CB -0.543 31.262 31.823 -0.030 0.000 0.658 1079 V HN 0.220 nan 8.190 nan 0.000 0.452 1080 I N 1.192 121.753 120.570 -0.015 0.000 2.127 1080 I HA -0.217 3.942 4.170 -0.019 0.000 0.241 1080 I C 3.012 179.105 176.117 -0.040 0.000 1.075 1080 I CA 1.937 63.230 61.300 -0.012 0.000 1.334 1080 I CB -0.838 37.176 38.000 0.023 0.000 1.040 1080 I HN 0.438 nan 8.210 nan 0.000 0.405 1081 A N 0.752 123.537 122.820 -0.058 0.000 1.892 1081 A HA -0.277 4.032 4.320 -0.019 0.000 0.218 1081 A C 2.535 180.066 177.584 -0.088 0.000 1.188 1081 A CA 2.335 54.325 52.037 -0.078 0.000 0.631 1081 A CB -1.063 17.879 19.000 -0.098 0.000 0.822 1081 A HN 0.474 nan 8.150 nan 0.000 0.447 1082 A N -0.434 122.326 122.820 -0.101 0.000 1.902 1082 A HA 0.146 4.455 4.320 -0.019 0.000 0.217 1082 A C 2.512 180.045 177.584 -0.085 0.000 1.181 1082 A CA 2.245 54.214 52.037 -0.115 0.000 0.623 1082 A CB -1.011 17.910 19.000 -0.132 0.000 0.818 1082 A HN 1.137 nan 8.150 nan 0.000 0.443 1083 A N -0.863 121.918 122.820 -0.065 0.000 1.898 1083 A HA -0.183 4.125 4.320 -0.019 0.000 0.216 1083 A C 2.121 179.678 177.584 -0.045 0.000 1.181 1083 A CA 1.566 53.573 52.037 -0.049 0.000 0.620 1083 A CB -0.524 18.453 19.000 -0.038 0.000 0.819 1083 A HN 0.647 nan 8.150 nan 0.000 0.442 1084 Q N -1.179 118.594 119.800 -0.046 0.000 2.119 1084 Q HA -0.147 4.182 4.340 -0.019 0.000 0.201 1084 Q C 2.225 178.196 176.000 -0.047 0.000 0.972 1084 Q CA 1.342 57.120 55.803 -0.042 0.000 0.847 1084 Q CB -0.136 28.576 28.738 -0.042 0.000 0.903 1084 Q HN 0.537 nan 8.270 nan 0.000 0.433 1085 R N 1.084 121.548 120.500 -0.060 0.000 2.249 1085 R HA -0.128 4.201 4.340 -0.019 0.000 0.230 1085 R C 0.437 176.704 176.300 -0.055 0.000 1.121 1085 R CA 1.067 57.128 56.100 -0.064 0.000 0.997 1085 R CB 0.200 30.449 30.300 -0.086 0.000 0.867 1085 R HN 0.249 nan 8.270 nan 0.000 0.465 1086 E N -1.689 118.482 120.200 -0.049 0.000 2.685 1086 E HA 0.199 4.538 4.350 -0.019 0.000 0.208 1086 E C 0.131 176.712 176.600 -0.031 0.000 0.996 1086 E CA 0.269 56.645 56.400 -0.040 0.000 1.054 1086 E CB 1.141 30.816 29.700 -0.042 0.000 1.075 1086 E HN 0.386 nan 8.360 nan 0.000 0.460 1087 G N 2.241 111.023 108.800 -0.030 0.000 2.160 1087 G HA2 -0.323 3.626 3.960 -0.019 0.000 0.251 1087 G HA3 -0.323 3.626 3.960 -0.019 0.000 0.251 1087 G C 0.071 174.959 174.900 -0.021 0.000 1.008 1087 G CA 0.293 45.379 45.100 -0.024 0.000 0.724 1087 G HN 0.154 nan 8.290 nan 0.000 0.514 1088 K N 0.409 120.795 120.400 -0.024 0.000 2.118 1088 K HA 0.509 4.818 4.320 -0.019 0.000 0.267 1088 K C 0.123 176.712 176.600 -0.019 0.000 0.991 1088 K CA -0.294 55.981 56.287 -0.021 0.000 0.916 1088 K CB 1.010 33.495 32.500 -0.024 0.000 1.041 1088 K HN 0.115 nan 8.250 nan 0.000 0.455 1089 T N 1.711 116.256 114.554 -0.016 0.000 2.806 1089 T HA 0.291 4.630 4.350 -0.019 0.000 0.290 1089 T C -0.284 174.409 174.700 -0.012 0.000 0.966 1089 T CA -0.510 61.583 62.100 -0.012 0.000 1.060 1089 T CB 0.257 69.119 68.868 -0.010 0.000 0.927 1089 T HN 0.530 nan 8.240 nan 0.000 0.485 1090 C N 2.410 121.707 119.300 -0.006 0.000 2.634 1090 C HA 0.944 5.393 4.460 -0.019 0.000 0.313 1090 C C 0.365 175.364 174.990 0.016 0.000 1.198 1090 C CA -0.999 58.020 59.018 0.002 0.000 1.605 1090 C CB 0.888 28.634 27.740 0.010 0.000 2.196 1090 C HN 1.049 nan 8.230 nan 0.000 0.486 1091 A N 1.433 124.262 122.820 0.014 0.000 2.365 1091 A HA 0.867 5.176 4.320 -0.019 0.000 0.318 1091 A C -1.396 176.224 177.584 0.059 0.000 1.091 1091 A CA -0.267 51.787 52.037 0.027 0.000 0.763 1091 A CB 0.952 19.942 19.000 -0.016 0.000 1.248 1091 A HN 0.834 nan 8.150 nan 0.000 0.442 1092 F N 3.469 123.380 119.950 -0.065 0.000 2.460 1092 F HA 0.563 5.079 4.527 -0.019 0.000 0.341 1092 F C -0.719 175.033 175.800 -0.079 0.000 1.130 1092 F CA -0.875 57.083 58.000 -0.070 0.000 0.962 1092 F CB 1.291 40.259 39.000 -0.054 0.000 1.171 1092 F HN 0.379 nan 8.300 nan 0.000 0.436 1093 I N 4.896 125.240 120.570 -0.377 0.000 2.307 1093 I HA 0.131 4.290 4.170 -0.019 0.000 0.287 1093 I C -0.225 175.721 176.117 -0.284 0.000 1.054 1093 I CA -0.340 60.814 61.300 -0.243 0.000 1.218 1093 I CB 0.587 38.444 38.000 -0.238 0.000 1.398 1093 I HN 0.514 nan 8.210 nan 0.000 0.475 1094 D N 5.348 125.727 120.400 -0.034 0.000 2.631 1094 D HA 0.362 4.991 4.640 -0.019 0.000 0.227 1094 D C 1.243 177.438 176.300 -0.176 0.000 1.146 1094 D CA -0.090 53.937 54.000 0.046 0.000 1.009 1094 D CB 0.829 41.755 40.800 0.210 0.000 1.057 1094 D HN 0.596 nan 8.370 nan 0.000 0.509 1095 A N 2.278 125.026 122.820 -0.119 0.000 2.067 1095 A HA -0.103 4.206 4.320 -0.019 0.000 0.219 1095 A C 1.901 179.566 177.584 0.135 0.000 1.158 1095 A CA 0.742 52.754 52.037 -0.040 0.000 0.661 1095 A CB -0.201 18.804 19.000 0.009 0.000 0.801 1095 A HN 0.522 nan 8.150 nan 0.000 0.452 1096 E N -1.115 119.137 120.200 0.087 0.000 2.435 1096 E HA -0.071 4.268 4.350 -0.019 0.000 0.195 1096 E C -0.498 176.260 176.600 0.264 0.000 1.029 1096 E CA -0.003 56.483 56.400 0.143 0.000 0.865 1096 E CB -0.113 29.606 29.700 0.032 0.000 0.833 1096 E HN 0.685 nan 8.360 nan 0.000 0.510 1097 H N -1.962 117.172 119.070 0.107 0.000 2.756 1097 H HA -0.206 4.339 4.556 -0.018 0.000 0.315 1097 H C 0.007 175.389 175.328 0.089 0.000 1.210 1097 H CA 0.615 56.723 56.048 0.100 0.000 1.150 1097 H CB -1.385 28.436 29.762 0.097 0.000 1.463 1097 H HN 0.267 nan 8.280 nan 0.000 0.427 1098 A N 0.303 123.210 122.820 0.145 0.000 2.704 1098 A HA 0.221 4.530 4.320 -0.019 0.000 0.260 1098 A C 0.453 178.072 177.584 0.058 0.000 1.144 1098 A CA -0.379 51.718 52.037 0.101 0.000 0.985 1098 A CB 0.732 19.787 19.000 0.093 0.000 1.256 1098 A HN 0.141 nan 8.150 nan 0.000 0.598 1099 L N 1.423 122.674 121.223 0.047 0.000 2.462 1099 L HA 0.406 4.735 4.340 -0.019 0.000 0.272 1099 L C -0.532 176.317 176.870 -0.035 0.000 1.166 1099 L CA 0.245 55.062 54.840 -0.037 0.000 0.880 1099 L CB 0.506 42.469 42.059 -0.159 0.000 1.142 1099 L HN 0.221 nan 8.230 nan 0.000 0.473 1100 D N 7.279 127.666 120.400 -0.021 0.000 2.412 1100 D HA 0.325 4.954 4.640 -0.019 0.000 0.224 1100 D C -1.806 174.498 176.300 0.007 0.000 1.093 1100 D CA -2.242 51.763 54.000 0.008 0.000 0.850 1100 D CB 1.525 42.342 40.800 0.028 0.000 1.046 1100 D HN 0.351 nan 8.370 nan 0.000 0.507 1101 P HA -0.166 nan 4.420 nan 0.000 0.215 1101 P C 1.652 178.943 177.300 -0.016 0.000 1.153 1101 P CA 0.673 63.748 63.100 -0.043 0.000 0.853 1101 P CB 0.524 32.203 31.700 -0.035 0.000 0.788 1102 I N -1.713 118.867 120.570 0.017 0.000 2.286 1102 I HA -0.237 3.922 4.170 -0.019 0.000 0.248 1102 I C 2.672 178.827 176.117 0.062 0.000 1.115 1102 I CA 1.399 62.717 61.300 0.030 0.000 1.392 1102 I CB -1.101 36.922 38.000 0.039 0.000 1.065 1102 I HN -0.136 nan 8.210 nan 0.000 0.418 1103 Y N 1.027 121.303 120.300 -0.040 0.000 2.263 1103 Y HA -0.143 4.396 4.550 -0.018 0.000 0.292 1103 Y C 2.439 178.312 175.900 -0.044 0.000 1.130 1103 Y CA 1.102 59.183 58.100 -0.032 0.000 1.179 1103 Y CB -0.483 37.959 38.460 -0.030 0.000 0.998 1103 Y HN 0.124 nan 8.280 nan 0.000 0.532 1104 A N 0.775 123.557 122.820 -0.064 0.000 1.908 1104 A HA -0.233 4.076 4.320 -0.019 0.000 0.218 1104 A C 2.432 179.913 177.584 -0.172 0.000 1.181 1104 A CA 1.848 53.789 52.037 -0.161 0.000 0.627 1104 A CB -0.781 18.125 19.000 -0.157 0.000 0.818 1104 A HN 0.474 nan 8.150 nan 0.000 0.445 1105 R N -0.136 120.292 120.500 -0.120 0.000 2.081 1105 R HA -0.130 4.199 4.340 -0.019 0.000 0.235 1105 R C 2.079 178.305 176.300 -0.123 0.000 1.131 1105 R CA 1.865 57.905 56.100 -0.100 0.000 0.960 1105 R CB -0.307 29.957 30.300 -0.060 0.000 0.856 1105 R HN 0.545 nan 8.270 nan 0.000 0.436 1106 K N 0.264 120.572 120.400 -0.152 0.000 2.152 1106 K HA -0.088 4.221 4.320 -0.019 0.000 0.206 1106 K C 1.867 178.334 176.600 -0.222 0.000 1.048 1106 K CA 1.145 57.332 56.287 -0.167 0.000 0.933 1106 K CB -0.058 32.341 32.500 -0.168 0.000 0.721 1106 K HN 0.231 nan 8.250 nan 0.000 0.447 1107 L N -0.465 120.567 121.223 -0.320 0.000 2.610 1107 L HA 0.064 4.393 4.340 -0.019 0.000 0.232 1107 L C 1.000 177.770 176.870 -0.166 0.000 1.149 1107 L CA 0.468 55.148 54.840 -0.266 0.000 0.872 1107 L CB -0.133 41.734 42.059 -0.320 0.000 0.992 1107 L HN 0.462 nan 8.230 nan 0.000 0.447 1108 G N 0.077 108.793 108.800 -0.141 0.000 2.131 1108 G HA2 -0.227 3.722 3.960 -0.019 0.000 0.223 1108 G HA3 -0.227 3.722 3.960 -0.019 0.000 0.223 1108 G C 0.123 174.963 174.900 -0.099 0.000 0.990 1108 G CA -0.121 44.915 45.100 -0.107 0.000 0.671 1108 G HN 0.091 nan 8.290 nan 0.000 0.521 1109 V N 1.110 120.960 119.914 -0.106 0.000 2.530 1109 V HA 0.362 4.471 4.120 -0.019 0.000 0.282 1109 V C 0.686 176.735 176.094 -0.075 0.000 1.048 1109 V CA -0.097 62.149 62.300 -0.090 0.000 0.997 1109 V CB 1.673 33.434 31.823 -0.104 0.000 0.987 1109 V HN 0.374 nan 8.190 nan 0.000 0.477 1110 D N 4.617 124.981 120.400 -0.060 0.000 2.383 1110 D HA 0.089 4.718 4.640 -0.019 0.000 0.245 1110 D C 1.066 177.339 176.300 -0.046 0.000 1.263 1110 D CA -0.267 53.704 54.000 -0.049 0.000 0.936 1110 D CB 0.481 41.257 40.800 -0.040 0.000 1.053 1110 D HN 0.283 nan 8.370 nan 0.000 0.507 1111 I N 2.653 123.194 120.570 -0.049 0.000 2.226 1111 I HA -0.213 3.946 4.170 -0.019 0.000 0.245 1111 I C 1.487 177.584 176.117 -0.033 0.000 1.100 1111 I CA 0.985 62.257 61.300 -0.048 0.000 1.374 1111 I CB -0.650 37.322 38.000 -0.047 0.000 1.057 1111 I HN 0.401 nan 8.210 nan 0.000 0.413 1112 D N 0.692 121.076 120.400 -0.027 0.000 2.310 1112 D HA -0.111 4.518 4.640 -0.019 0.000 0.212 1112 D C 1.447 177.738 176.300 -0.015 0.000 0.965 1112 D CA 0.767 54.756 54.000 -0.019 0.000 0.879 1112 D CB -0.087 40.703 40.800 -0.017 0.000 0.921 1112 D HN 0.399 nan 8.370 nan 0.000 0.510 1113 N N -0.139 118.550 118.700 -0.018 0.000 2.181 1113 N HA 0.024 4.753 4.740 -0.019 0.000 0.207 1113 N C 0.289 175.793 175.510 -0.010 0.000 1.182 1113 N CA -0.214 52.828 53.050 -0.013 0.000 0.893 1113 N CB 1.319 39.797 38.487 -0.016 0.000 1.032 1113 N HN 0.150 nan 8.380 nan 0.000 0.513 1114 L N 2.868 124.083 121.223 -0.013 0.000 2.407 1114 L HA 0.253 4.582 4.340 -0.019 0.000 0.282 1114 L C -0.198 176.677 176.870 0.010 0.000 1.110 1114 L CA -0.027 54.811 54.840 -0.004 0.000 0.863 1114 L CB -0.102 41.944 42.059 -0.021 0.000 1.207 1114 L HN -0.005 nan 8.230 nan 0.000 0.454 1115 L N 5.333 126.568 121.223 0.020 0.000 2.490 1115 L HA 0.077 4.406 4.340 -0.019 0.000 0.274 1115 L C 0.101 177.003 176.870 0.053 0.000 1.201 1115 L CA 0.310 55.165 54.840 0.026 0.000 0.869 1115 L CB 0.887 42.957 42.059 0.019 0.000 1.123 1115 L HN 0.708 nan 8.230 nan 0.000 0.484 1116 C N 3.046 122.374 119.300 0.047 0.000 2.701 1116 C HA 0.645 5.093 4.460 -0.019 0.000 0.336 1116 C C -0.358 174.659 174.990 0.045 0.000 1.123 1116 C CA -0.444 58.618 59.018 0.074 0.000 1.326 1116 C CB 1.506 29.278 27.740 0.054 0.000 1.833 1116 C HN 0.812 nan 8.230 nan 0.000 0.473 1117 S N 3.773 119.497 115.700 0.040 0.000 2.536 1117 S HA 0.617 5.076 4.470 -0.019 0.000 0.287 1117 S C -1.271 173.305 174.600 -0.040 0.000 1.101 1117 S CA -0.282 57.916 58.200 -0.004 0.000 0.950 1117 S CB 1.540 64.722 63.200 -0.031 0.000 1.056 1117 S HN 0.847 nan 8.310 nan 0.000 0.481 1118 Q N 4.100 123.865 119.800 -0.058 0.000 2.571 1118 Q HA 0.338 4.667 4.340 -0.019 0.000 0.243 1118 Q C -2.418 173.551 176.000 -0.051 0.000 1.055 1118 Q CA -1.880 53.824 55.803 -0.165 0.000 0.815 1118 Q CB 1.553 30.190 28.738 -0.169 0.000 1.151 1118 Q HN 0.530 nan 8.270 nan 0.000 0.519 1119 P HA 0.064 nan 4.420 nan 0.000 0.274 1119 P C -0.284 177.068 177.300 0.085 0.000 1.237 1119 P CA -0.149 62.935 63.100 -0.026 0.000 0.793 1119 P CB 1.498 33.141 31.700 -0.095 0.000 0.977 1120 D N -0.283 120.144 120.400 0.045 0.000 2.146 1120 D HA -0.025 4.604 4.640 -0.019 0.000 0.209 1120 D C 0.986 177.313 176.300 0.044 0.000 0.973 1120 D CA 1.591 55.632 54.000 0.067 0.000 0.860 1120 D CB -0.425 40.404 40.800 0.050 0.000 1.015 1120 D HN 0.515 nan 8.370 nan 0.000 0.465 1121 T N -2.798 111.755 114.554 -0.000 0.000 2.952 1121 T HA 0.531 4.870 4.350 -0.019 0.000 0.286 1121 T C 1.385 176.067 174.700 -0.030 0.000 1.024 1121 T CA -0.365 61.729 62.100 -0.010 0.000 1.029 1121 T CB 1.906 70.765 68.868 -0.014 0.000 1.094 1121 T HN -0.002 nan 8.240 nan 0.000 0.515 1122 G N 0.245 109.034 108.800 -0.019 0.000 2.408 1122 G HA2 -0.105 3.843 3.960 -0.019 0.000 0.217 1122 G HA3 -0.105 3.843 3.960 -0.019 0.000 0.217 1122 G C 1.161 176.036 174.900 -0.042 0.000 1.150 1122 G CA 0.558 45.645 45.100 -0.021 0.000 0.776 1122 G HN 0.791 nan 8.290 nan 0.000 0.542 1123 E N -0.002 120.173 120.200 -0.042 0.000 2.085 1123 E HA -0.135 4.204 4.350 -0.019 0.000 0.194 1123 E C 2.420 178.962 176.600 -0.098 0.000 0.994 1123 E CA 1.244 57.621 56.400 -0.038 0.000 0.801 1123 E CB -0.241 29.456 29.700 -0.005 0.000 0.743 1123 E HN 0.608 nan 8.360 nan 0.000 0.453 1124 Q N 0.116 119.804 119.800 -0.185 0.000 2.061 1124 Q HA -0.223 4.105 4.340 -0.019 0.000 0.204 1124 Q C 2.158 177.900 176.000 -0.430 0.000 0.984 1124 Q CA 1.677 57.177 55.803 -0.506 0.000 0.846 1124 Q CB -0.221 28.216 28.738 -0.502 0.000 0.902 1124 Q HN 0.308 nan 8.270 nan 0.000 0.421 1125 A N 0.708 123.389 122.820 -0.231 0.000 1.892 1125 A HA -0.201 4.108 4.320 -0.019 0.000 0.218 1125 A C 2.028 179.540 177.584 -0.121 0.000 1.188 1125 A CA 1.651 53.593 52.037 -0.159 0.000 0.631 1125 A CB -0.738 18.212 19.000 -0.084 0.000 0.822 1125 A HN 0.463 nan 8.150 nan 0.000 0.447 1126 L N -1.226 119.951 121.223 -0.076 0.000 2.179 1126 L HA -0.051 4.277 4.340 -0.019 0.000 0.208 1126 L C 2.525 179.377 176.870 -0.029 0.000 1.096 1126 L CA 0.752 55.578 54.840 -0.022 0.000 0.779 1126 L CB -0.419 41.648 42.059 0.014 0.000 0.922 1126 L HN 0.259 nan 8.230 nan 0.000 0.443 1127 E N 0.548 120.717 120.200 -0.052 0.000 2.110 1127 E HA -0.160 4.179 4.350 -0.019 0.000 0.193 1127 E C 2.282 178.896 176.600 0.023 0.000 0.988 1127 E CA 1.183 57.596 56.400 0.022 0.000 0.804 1127 E CB -0.054 29.724 29.700 0.130 0.000 0.745 1127 E HN 0.503 nan 8.360 nan 0.000 0.458 1128 I N 0.140 120.656 120.570 -0.090 0.000 2.226 1128 I HA -0.318 3.840 4.170 -0.019 0.000 0.245 1128 I C 2.524 178.622 176.117 -0.032 0.000 1.100 1128 I CA 0.674 61.944 61.300 -0.051 0.000 1.374 1128 I CB -0.240 37.685 38.000 -0.125 0.000 1.057 1128 I HN 0.125 nan 8.210 nan 0.000 0.413 1129 C N 0.401 119.666 119.300 -0.057 0.000 2.413 1129 C HA -0.228 4.221 4.460 -0.019 0.000 0.276 1129 C C 2.583 177.555 174.990 -0.031 0.000 1.236 1129 C CA 1.362 60.343 59.018 -0.062 0.000 1.735 1129 C CB -0.990 26.705 27.740 -0.076 0.000 2.031 1129 C HN 0.542 nan 8.230 nan 0.000 0.474 1130 D N 0.360 120.756 120.400 -0.007 0.000 2.117 1130 D HA -0.075 4.554 4.640 -0.019 0.000 0.197 1130 D C 2.190 178.499 176.300 0.014 0.000 0.987 1130 D CA 1.593 55.596 54.000 0.005 0.000 0.829 1130 D CB -0.215 40.597 40.800 0.020 0.000 0.961 1130 D HN 0.407 nan 8.370 nan 0.000 0.460 1131 A N 0.134 122.974 122.820 0.033 0.000 1.883 1131 A HA -0.134 4.175 4.320 -0.019 0.000 0.217 1131 A C 2.431 180.027 177.584 0.020 0.000 1.186 1131 A CA 1.257 53.319 52.037 0.041 0.000 0.624 1131 A CB -0.882 18.165 19.000 0.077 0.000 0.822 1131 A HN 0.347 nan 8.150 nan 0.000 0.444 1132 L N -0.905 120.322 121.223 0.007 0.000 2.056 1132 L HA -0.169 4.160 4.340 -0.019 0.000 0.207 1132 L C 3.122 179.984 176.870 -0.013 0.000 1.078 1132 L CA 0.945 55.782 54.840 -0.006 0.000 0.749 1132 L CB -0.688 41.359 42.059 -0.020 0.000 0.901 1132 L HN 0.448 nan 8.230 nan 0.000 0.433 1133 A N 0.333 123.141 122.820 -0.020 0.000 1.851 1133 A HA -0.247 4.062 4.320 -0.019 0.000 0.216 1133 A C 2.411 179.987 177.584 -0.013 0.000 1.195 1133 A CA 1.780 53.803 52.037 -0.023 0.000 0.622 1133 A CB -0.619 18.364 19.000 -0.028 0.000 0.831 1133 A HN 0.293 nan 8.150 nan 0.000 0.444 1134 R N -0.008 120.489 120.500 -0.006 0.000 2.105 1134 R HA -0.144 4.185 4.340 -0.019 0.000 0.239 1134 R C 2.623 178.925 176.300 0.003 0.000 1.135 1134 R CA 1.665 57.764 56.100 -0.000 0.000 0.967 1134 R CB -0.426 29.878 30.300 0.007 0.000 0.861 1134 R HN 0.772 nan 8.270 nan 0.000 0.442 1135 S N -0.651 115.051 115.700 0.004 0.000 2.400 1135 S HA -0.091 4.368 4.470 -0.019 0.000 0.232 1135 S C 1.651 176.252 174.600 0.002 0.000 1.025 1135 S CA 1.158 59.361 58.200 0.005 0.000 0.993 1135 S CB -0.278 62.926 63.200 0.006 0.000 0.808 1135 S HN 0.547 nan 8.310 nan 0.000 0.478 1136 G N 0.535 109.334 108.800 -0.001 0.000 2.155 1136 G HA2 -0.196 3.753 3.960 -0.019 0.000 0.257 1136 G HA3 -0.196 3.753 3.960 -0.019 0.000 0.257 1136 G C 0.738 175.637 174.900 -0.003 0.000 0.983 1136 G CA 0.375 45.474 45.100 -0.002 0.000 0.676 1136 G HN 1.417 nan 8.290 nan 0.000 0.528 1137 A N -1.216 121.602 122.820 -0.003 0.000 2.197 1137 A HA 0.677 4.986 4.320 -0.019 0.000 0.210 1137 A C 1.007 178.587 177.584 -0.007 0.000 1.180 1137 A CA 1.224 53.259 52.037 -0.003 0.000 0.846 1137 A CB 0.606 19.606 19.000 -0.001 0.000 0.884 1137 A HN 0.972 nan 8.150 nan 0.000 0.487 1138 V N 1.032 120.940 119.914 -0.011 0.000 2.472 1138 V HA 0.227 4.336 4.120 -0.019 0.000 0.290 1138 V C 0.148 176.230 176.094 -0.020 0.000 1.037 1138 V CA -0.502 61.788 62.300 -0.016 0.000 0.908 1138 V CB 1.607 33.417 31.823 -0.021 0.000 0.985 1138 V HN 0.393 nan 8.190 nan 0.000 0.454 1139 D N 1.806 122.194 120.400 -0.021 0.000 2.338 1139 D HA 0.072 4.701 4.640 -0.019 0.000 0.224 1139 D C 0.371 176.653 176.300 -0.030 0.000 0.967 1139 D CA 1.179 55.166 54.000 -0.022 0.000 0.896 1139 D CB 1.437 42.225 40.800 -0.020 0.000 1.028 1139 D HN 0.406 nan 8.370 nan 0.000 0.493 1140 V N 1.030 120.923 119.914 -0.034 0.000 2.638 1140 V HA 0.483 4.592 4.120 -0.019 0.000 0.306 1140 V C -1.449 174.610 176.094 -0.060 0.000 1.052 1140 V CA -0.723 61.549 62.300 -0.047 0.000 0.885 1140 V CB 1.916 33.717 31.823 -0.038 0.000 0.999 1140 V HN -0.094 nan 8.190 nan 0.000 0.424 1141 I N 6.844 127.353 120.570 -0.102 0.000 2.433 1141 I HA 0.644 4.803 4.170 -0.019 0.000 0.292 1141 I C -0.425 175.555 176.117 -0.228 0.000 1.001 1141 I CA -1.035 60.176 61.300 -0.148 0.000 1.119 1141 I CB 1.974 39.871 38.000 -0.173 0.000 1.289 1141 I HN 0.632 nan 8.210 nan 0.000 0.438 1142 V N 6.947 126.699 119.914 -0.270 0.000 2.495 1142 V HA 0.588 4.697 4.120 -0.019 0.000 0.298 1142 V C -0.790 174.947 176.094 -0.595 0.000 1.031 1142 V CA -0.373 61.688 62.300 -0.399 0.000 0.871 1142 V CB 2.043 33.698 31.823 -0.280 0.000 0.988 1142 V HN 0.442 nan 8.190 nan 0.000 0.432 1143 V N 5.636 125.217 119.914 -0.556 0.000 2.328 1143 V HA 0.395 4.503 4.120 -0.019 0.000 0.278 1143 V C -0.138 175.755 176.094 -0.334 0.000 1.021 1143 V CA -0.343 61.686 62.300 -0.452 0.000 0.838 1143 V CB 1.172 32.780 31.823 -0.360 0.000 0.999 1143 V HN 0.977 nan 8.190 nan 0.000 0.447 1144 D N 3.658 123.811 120.400 -0.411 0.000 2.365 1144 D HA 0.302 4.931 4.640 -0.019 0.000 0.237 1144 D C 0.040 176.301 176.300 -0.065 0.000 1.190 1144 D CA 0.668 54.552 54.000 -0.194 0.000 0.867 1144 D CB 0.667 41.414 40.800 -0.088 0.000 1.050 1144 D HN 0.642 nan 8.370 nan 0.000 0.491 1145 S N 1.295 116.982 115.700 -0.021 0.000 3.392 1145 S HA -0.150 4.309 4.470 -0.019 0.000 0.693 1145 S C 1.168 175.779 174.600 0.019 0.000 0.620 1145 S CA 0.334 58.522 58.200 -0.020 0.000 1.452 1145 S CB -1.007 62.143 63.200 -0.083 0.000 0.988 1145 S HN 0.529 nan 8.310 nan 0.000 0.932 1146 V N 2.439 122.379 119.914 0.043 0.000 2.515 1146 V HA 0.000 4.109 4.120 -0.019 0.000 0.250 1146 V C 2.332 178.424 176.094 -0.005 0.000 1.058 1146 V CA 2.312 64.629 62.300 0.028 0.000 1.064 1146 V CB -1.088 30.705 31.823 -0.051 0.000 0.675 1146 V HN 1.458 nan 8.190 nan 0.000 0.461 1147 A N 0.778 123.578 122.820 -0.033 0.000 1.958 1147 A HA -0.062 4.247 4.320 -0.019 0.000 0.221 1147 A C 2.359 179.996 177.584 0.089 0.000 1.178 1147 A CA 2.540 54.566 52.037 -0.018 0.000 0.642 1147 A CB -1.000 17.931 19.000 -0.115 0.000 0.816 1147 A HN 1.240 nan 8.150 nan 0.000 0.453 1148 A N -1.666 121.208 122.820 0.089 0.000 2.275 1148 A HA 0.446 4.755 4.320 -0.019 0.000 0.212 1148 A C 0.535 178.194 177.584 0.126 0.000 1.201 1148 A CA -0.125 52.024 52.037 0.187 0.000 0.843 1148 A CB -0.141 18.966 19.000 0.178 0.000 0.873 1148 A HN 0.283 nan 8.150 nan 0.000 0.492 1149 L N 2.514 123.779 121.223 0.070 0.000 2.451 1149 L HA 0.135 4.464 4.340 -0.019 0.000 0.272 1149 L C 0.063 176.950 176.870 0.027 0.000 1.258 1149 L CA 0.690 55.556 54.840 0.042 0.000 1.132 1149 L CB -1.024 41.050 42.059 0.026 0.000 1.361 1149 L HN 0.099 nan 8.230 nan 0.000 0.438 1150 T N 4.434 119.010 114.554 0.035 0.000 2.737 1150 T HA 0.246 4.585 4.350 -0.019 0.000 0.296 1150 T C -2.183 172.505 174.700 -0.020 0.000 0.922 1150 T CA -1.176 60.931 62.100 0.011 0.000 1.079 1150 T CB 0.565 69.444 68.868 0.018 0.000 0.892 1150 T HN 0.205 nan 8.240 nan 0.000 0.514 1151 P HA 0.055 nan 4.420 nan 0.000 0.266 1151 P C 0.902 178.150 177.300 -0.088 0.000 1.193 1151 P CA -0.253 62.803 63.100 -0.073 0.000 0.770 1151 P CB 0.719 32.352 31.700 -0.110 0.000 0.836 1152 K N 2.851 123.210 120.400 -0.068 0.000 2.063 1152 K HA -0.200 4.109 4.320 -0.019 0.000 0.208 1152 K C 1.799 178.349 176.600 -0.083 0.000 1.048 1152 K CA 1.805 58.061 56.287 -0.052 0.000 0.928 1152 K CB -0.580 31.906 32.500 -0.023 0.000 0.713 1152 K HN 0.468 nan 8.250 nan 0.000 0.442 1153 A N 0.831 123.569 122.820 -0.136 0.000 1.972 1153 A HA -0.199 4.110 4.320 -0.019 0.000 0.219 1153 A C 1.953 179.354 177.584 -0.305 0.000 1.169 1153 A CA 1.744 53.672 52.037 -0.181 0.000 0.635 1153 A CB -0.459 18.422 19.000 -0.197 0.000 0.810 1153 A HN 0.559 nan 8.150 nan 0.000 0.446 1154 E N -0.337 119.609 120.200 -0.424 0.000 2.106 1154 E HA -0.113 4.226 4.350 -0.019 0.000 0.192 1154 E C 1.777 178.337 176.600 -0.066 0.000 0.984 1154 E CA 0.966 57.157 56.400 -0.348 0.000 0.806 1154 E CB -0.183 29.374 29.700 -0.238 0.000 0.750 1154 E HN 0.650 nan 8.360 nan 0.000 0.458 1155 I N 0.834 121.366 120.570 -0.062 0.000 2.252 1155 I HA -0.231 3.927 4.170 -0.019 0.000 0.245 1155 I C 2.081 178.199 176.117 0.002 0.000 1.102 1155 I CA 1.295 62.585 61.300 -0.016 0.000 1.385 1155 I CB -0.043 37.948 38.000 -0.015 0.000 1.064 1155 I HN 0.142 nan 8.210 nan 0.000 0.414 1156 E N 0.368 120.564 120.200 -0.006 0.000 2.216 1156 E HA -0.006 4.333 4.350 -0.019 0.000 0.192 1156 E C 1.299 177.921 176.600 0.037 0.000 0.988 1156 E CA 0.421 56.829 56.400 0.012 0.000 0.834 1156 E CB -0.106 29.596 29.700 0.004 0.000 0.772 1156 E HN 0.494 nan 8.360 nan 0.000 0.479 1157 G N 0.754 109.592 108.800 0.064 0.000 2.653 1157 G HA2 0.058 4.007 3.960 -0.019 0.000 0.265 1157 G HA3 0.058 4.007 3.960 -0.019 0.000 0.265 1157 G C -0.205 174.760 174.900 0.109 0.000 1.237 1157 G CA -0.514 44.663 45.100 0.128 0.000 0.946 1157 G HN 0.004 nan 8.290 nan 0.000 0.522 1158 E N -1.266 118.993 120.200 0.099 0.000 2.280 1158 E HA 0.255 4.594 4.350 -0.019 0.000 0.261 1158 E C -0.132 176.515 176.600 0.078 0.000 1.088 1158 E CA -0.493 55.957 56.400 0.084 0.000 0.915 1158 E CB 1.726 31.472 29.700 0.077 0.000 1.141 1158 E HN 0.231 nan 8.360 nan 0.000 0.433 1159 I N 1.268 121.879 120.570 0.068 0.000 2.452 1159 I HA 0.091 4.250 4.170 -0.019 0.000 0.287 1159 I C 1.141 177.274 176.117 0.025 0.000 1.079 1159 I CA 0.982 62.308 61.300 0.042 0.000 1.387 1159 I CB 0.386 38.403 38.000 0.029 0.000 1.404 1159 I HN 0.879 nan 8.210 nan 0.000 0.522 1160 G N 4.029 112.829 108.800 -0.001 0.000 2.253 1160 G HA2 -0.197 3.752 3.960 -0.019 0.000 0.209 1160 G HA3 -0.197 3.752 3.960 -0.019 0.000 0.209 1160 G C -0.013 174.849 174.900 -0.063 0.000 0.997 1160 G CA -0.655 44.430 45.100 -0.024 0.000 0.640 1160 G HN 0.527 nan 8.290 nan 0.000 0.496 1161 D N 1.087 121.436 120.400 -0.085 0.000 2.443 1161 D HA 0.459 5.088 4.640 -0.019 0.000 0.239 1161 D C 0.358 176.412 176.300 -0.409 0.000 1.136 1161 D CA 0.743 54.612 54.000 -0.218 0.000 0.879 1161 D CB 1.515 42.196 40.800 -0.199 0.000 1.195 1161 D HN 0.155 nan 8.370 nan 0.000 0.443 1162 S N 1.707 117.163 115.700 -0.407 0.000 2.438 1162 S HA 0.192 4.651 4.470 -0.019 0.000 0.293 1162 S C -0.616 173.706 174.600 -0.464 0.000 1.141 1162 S CA -0.660 57.342 58.200 -0.329 0.000 1.080 1162 S CB 0.136 63.245 63.200 -0.153 0.000 0.978 1162 S HN 0.316 nan 8.310 nan 0.000 0.479 1163 H N 5.107 124.173 119.070 -0.005 0.000 2.317 1163 H HA 0.237 4.782 4.556 -0.018 0.000 0.231 1163 H C -0.339 174.984 175.328 -0.008 0.000 1.442 1163 H CA -0.334 55.711 56.048 -0.006 0.000 1.336 1163 H CB -0.053 29.705 29.762 -0.006 0.000 1.533 1163 H HN 0.558 nan 8.280 nan 0.000 0.522 1164 M N 0.455 120.089 119.600 0.057 0.000 2.338 1164 M HA -0.020 4.449 4.480 -0.019 0.000 0.360 1164 M C 1.285 177.607 176.300 0.036 0.000 1.547 1164 M CA 1.167 56.486 55.300 0.031 0.000 1.001 1164 M CB 0.375 32.981 32.600 0.010 0.000 2.008 1164 M HN 0.841 nan 8.290 nan 0.000 0.464 1165 G N 3.047 111.862 108.800 0.026 0.000 2.244 1165 G HA2 -0.289 3.659 3.960 -0.019 0.000 0.274 1165 G HA3 -0.289 3.659 3.960 -0.019 0.000 0.274 1165 G C 0.712 175.621 174.900 0.016 0.000 1.002 1165 G CA 0.591 45.700 45.100 0.015 0.000 0.740 1165 G HN 0.774 nan 8.290 nan 0.000 0.516 1166 L N -0.550 120.692 121.223 0.031 0.000 2.005 1166 L HA 0.084 4.412 4.340 -0.019 0.000 0.207 1166 L C 3.164 180.029 176.870 -0.008 0.000 1.072 1166 L CA 2.199 57.047 54.840 0.014 0.000 0.744 1166 L CB -0.572 41.496 42.059 0.015 0.000 0.895 1166 L HN 0.417 nan 8.230 nan 0.000 0.433 1167 A N -0.391 122.425 122.820 -0.008 0.000 1.933 1167 A HA -0.184 4.125 4.320 -0.019 0.000 0.218 1167 A C 2.396 179.962 177.584 -0.030 0.000 1.175 1167 A CA 1.652 53.676 52.037 -0.022 0.000 0.628 1167 A CB -0.739 18.251 19.000 -0.017 0.000 0.814 1167 A HN 0.546 nan 8.150 nan 0.000 0.444 1168 A N -0.418 122.389 122.820 -0.021 0.000 1.902 1168 A HA -0.159 4.150 4.320 -0.019 0.000 0.217 1168 A C 2.249 179.819 177.584 -0.023 0.000 1.181 1168 A CA 1.751 53.774 52.037 -0.023 0.000 0.623 1168 A CB -0.449 18.545 19.000 -0.010 0.000 0.818 1168 A HN 0.529 nan 8.150 nan 0.000 0.443 1169 R N -1.050 119.441 120.500 -0.015 0.000 2.092 1169 R HA -0.040 4.289 4.340 -0.019 0.000 0.231 1169 R C 2.254 178.542 176.300 -0.020 0.000 1.119 1169 R CA 1.474 57.567 56.100 -0.012 0.000 0.970 1169 R CB -0.277 30.020 30.300 -0.004 0.000 0.864 1169 R HN 0.655 nan 8.270 nan 0.000 0.440 1170 M N -0.373 119.211 119.600 -0.027 0.000 2.099 1170 M HA -0.184 4.285 4.480 -0.019 0.000 0.262 1170 M C 1.727 177.995 176.300 -0.052 0.000 1.067 1170 M CA 1.503 56.784 55.300 -0.032 0.000 1.124 1170 M CB 0.039 32.620 32.600 -0.033 0.000 1.353 1170 M HN 0.188 nan 8.290 nan 0.000 0.410 1171 M N -0.363 119.194 119.600 -0.073 0.000 2.108 1171 M HA -0.183 4.286 4.480 -0.019 0.000 0.261 1171 M C 2.448 178.669 176.300 -0.130 0.000 1.066 1171 M CA 1.634 56.860 55.300 -0.123 0.000 1.107 1171 M CB -1.427 31.089 32.600 -0.140 0.000 1.356 1171 M HN 0.395 nan 8.290 nan 0.000 0.406 1172 S N -0.202 115.450 115.700 -0.080 0.000 2.368 1172 S HA -0.210 4.249 4.470 -0.019 0.000 0.225 1172 S C 1.893 176.440 174.600 -0.088 0.000 1.030 1172 S CA 1.577 59.740 58.200 -0.063 0.000 0.999 1172 S CB -0.139 63.052 63.200 -0.014 0.000 0.844 1172 S HN 0.549 nan 8.310 nan 0.000 0.459 1173 Q N 0.113 119.877 119.800 -0.060 0.000 2.079 1173 Q HA -0.055 4.274 4.340 -0.019 0.000 0.200 1173 Q C 2.219 178.173 176.000 -0.077 0.000 0.974 1173 Q CA 1.343 57.120 55.803 -0.043 0.000 0.840 1173 Q CB -0.430 28.307 28.738 -0.001 0.000 0.898 1173 Q HN 0.622 nan 8.270 nan 0.000 0.430 1174 A N 0.930 123.696 122.820 -0.090 0.000 1.883 1174 A HA -0.236 4.073 4.320 -0.019 0.000 0.217 1174 A C 2.060 179.546 177.584 -0.163 0.000 1.186 1174 A CA 1.839 53.824 52.037 -0.087 0.000 0.624 1174 A CB -0.587 18.376 19.000 -0.062 0.000 0.822 1174 A HN 0.421 nan 8.150 nan 0.000 0.444 1175 M N -0.642 118.766 119.600 -0.320 0.000 2.082 1175 M HA -0.167 4.301 4.480 -0.019 0.000 0.258 1175 M C 2.166 178.113 176.300 -0.589 0.000 1.069 1175 M CA 1.695 56.605 55.300 -0.651 0.000 1.102 1175 M CB -1.453 30.345 32.600 -1.336 0.000 1.336 1175 M HN 0.421 nan 8.290 nan 0.000 0.404 1176 R N 0.262 120.529 120.500 -0.390 0.000 2.112 1176 R HA -0.179 4.150 4.340 -0.019 0.000 0.242 1176 R C 2.319 178.583 176.300 -0.061 0.000 1.137 1176 R CA 1.712 57.748 56.100 -0.107 0.000 0.944 1176 R CB -0.277 30.005 30.300 -0.030 0.000 0.857 1176 R HN 0.453 nan 8.270 nan 0.000 0.435 1177 K N 0.213 120.569 120.400 -0.073 0.000 2.103 1177 K HA -0.071 4.238 4.320 -0.019 0.000 0.204 1177 K C 2.183 178.751 176.600 -0.053 0.000 1.052 1177 K CA 1.000 57.260 56.287 -0.044 0.000 0.945 1177 K CB -0.042 32.443 32.500 -0.025 0.000 0.722 1177 K HN 0.163 nan 8.250 nan 0.000 0.443 1178 L N 0.575 121.758 121.223 -0.066 0.000 2.044 1178 L HA -0.098 4.231 4.340 -0.019 0.000 0.205 1178 L C 2.637 179.472 176.870 -0.057 0.000 1.075 1178 L CA 0.877 55.689 54.840 -0.046 0.000 0.747 1178 L CB -0.670 41.383 42.059 -0.009 0.000 0.903 1178 L HN 0.147 nan 8.230 nan 0.000 0.435 1179 A N 0.730 123.522 122.820 -0.045 0.000 1.896 1179 A HA -0.280 4.029 4.320 -0.019 0.000 0.220 1179 A C 2.360 179.818 177.584 -0.210 0.000 1.206 1179 A CA 2.420 54.459 52.037 0.003 0.000 0.647 1179 A CB -1.561 17.558 19.000 0.200 0.000 0.828 1179 A HN 0.480 nan 8.150 nan 0.000 0.455 1180 G N -0.926 107.657 108.800 -0.362 0.000 2.404 1180 G HA2 -0.266 3.683 3.960 -0.019 0.000 0.215 1180 G HA3 -0.266 3.683 3.960 -0.019 0.000 0.215 1180 G C 1.442 176.140 174.900 -0.336 0.000 1.174 1180 G CA 1.041 45.717 45.100 -0.707 0.000 0.780 1180 G HN 0.731 nan 8.290 nan 0.000 0.537 1181 N N -0.056 118.545 118.700 -0.164 0.000 2.223 1181 N HA -0.009 4.719 4.740 -0.019 0.000 0.185 1181 N C 2.191 177.661 175.510 -0.067 0.000 1.016 1181 N CA 0.438 53.438 53.050 -0.084 0.000 0.863 1181 N CB -0.117 38.340 38.487 -0.049 0.000 0.983 1181 N HN 0.240 nan 8.380 nan 0.000 0.429 1182 L N 0.692 121.872 121.223 -0.071 0.000 2.072 1182 L HA -0.111 4.218 4.340 -0.019 0.000 0.205 1182 L C 2.417 179.272 176.870 -0.025 0.000 1.079 1182 L CA 0.863 55.679 54.840 -0.039 0.000 0.752 1182 L CB -0.198 41.848 42.059 -0.021 0.000 0.906 1182 L HN 0.061 nan 8.230 nan 0.000 0.436 1183 K N 0.595 120.971 120.400 -0.041 0.000 2.025 1183 K HA -0.197 4.112 4.320 -0.019 0.000 0.207 1183 K C 2.058 178.675 176.600 0.029 0.000 1.049 1183 K CA 1.624 57.924 56.287 0.021 0.000 0.933 1183 K CB -0.239 32.320 32.500 0.098 0.000 0.714 1183 K HN 0.174 nan 8.250 nan 0.000 0.438 1184 Q N -0.533 119.269 119.800 0.005 0.000 2.364 1184 Q HA 0.030 4.359 4.340 -0.019 0.000 0.207 1184 Q C 1.093 177.102 176.000 0.014 0.000 0.970 1184 Q CA 1.390 57.207 55.803 0.023 0.000 0.888 1184 Q CB 0.225 28.975 28.738 0.021 0.000 0.951 1184 Q HN 0.236 nan 8.270 nan 0.000 0.469 1185 S N -0.018 115.683 115.700 0.001 0.000 2.524 1185 S HA 0.054 4.513 4.470 -0.019 0.000 0.215 1185 S C 0.237 174.837 174.600 0.001 0.000 0.986 1185 S CA -0.079 58.121 58.200 -0.000 0.000 0.911 1185 S CB 0.288 63.483 63.200 -0.009 0.000 0.805 1185 S HN 0.453 nan 8.310 nan 0.000 0.501 1186 N N 2.045 120.748 118.700 0.006 0.000 2.735 1186 N HA -0.141 4.588 4.740 -0.019 0.000 0.248 1186 N C -1.165 174.343 175.510 -0.004 0.000 1.083 1186 N CA 0.879 53.933 53.050 0.006 0.000 0.703 1186 N CB -1.497 36.994 38.487 0.008 0.000 1.005 1186 N HN 0.256 nan 8.380 nan 0.000 0.550 1187 T N 0.789 115.337 114.554 -0.010 0.000 2.767 1187 T HA 0.435 4.774 4.350 -0.019 0.000 0.288 1187 T C 0.249 174.934 174.700 -0.025 0.000 0.963 1187 T CA -0.669 61.418 62.100 -0.022 0.000 1.019 1187 T CB 1.431 70.281 68.868 -0.030 0.000 0.923 1187 T HN 0.295 nan 8.240 nan 0.000 0.468 1188 L N 4.564 125.768 121.223 -0.032 0.000 2.331 1188 L HA 0.553 4.882 4.340 -0.019 0.000 0.278 1188 L C -0.818 176.008 176.870 -0.073 0.000 1.106 1188 L CA -0.248 54.570 54.840 -0.037 0.000 0.824 1188 L CB 0.375 42.414 42.059 -0.033 0.000 1.142 1188 L HN 0.628 nan 8.230 nan 0.000 0.443 1189 L N 6.799 127.971 121.223 -0.085 0.000 2.343 1189 L HA 0.535 4.864 4.340 -0.019 0.000 0.278 1189 L C -1.016 175.731 176.870 -0.206 0.000 0.996 1189 L CA -0.475 54.252 54.840 -0.189 0.000 0.831 1189 L CB 1.210 43.143 42.059 -0.210 0.000 1.232 1189 L HN 0.668 nan 8.230 nan 0.000 0.413 1190 I N 4.577 124.990 120.570 -0.262 0.000 2.321 1190 I HA 0.276 4.435 4.170 -0.019 0.000 0.291 1190 I C -0.816 175.115 176.117 -0.310 0.000 0.998 1190 I CA -0.291 60.899 61.300 -0.182 0.000 1.227 1190 I CB 1.235 39.174 38.000 -0.101 0.000 1.368 1190 I HN 0.394 nan 8.210 nan 0.000 0.466 1191 F N 6.603 126.529 119.950 -0.041 0.000 2.415 1191 F HA 0.466 4.982 4.527 -0.019 0.000 0.348 1191 F C 0.386 176.171 175.800 -0.025 0.000 1.119 1191 F CA -0.434 57.538 58.000 -0.047 0.000 1.069 1191 F CB 0.996 39.981 39.000 -0.025 0.000 1.124 1191 F HN 0.214 nan 8.300 nan 0.000 0.472 1192 I N 3.603 124.249 120.570 0.127 0.000 2.365 1192 I HA 0.209 4.368 4.170 -0.019 0.000 0.291 1192 I C -0.175 176.004 176.117 0.102 0.000 1.004 1192 I CA -0.100 61.260 61.300 0.100 0.000 1.311 1192 I CB 1.011 39.042 38.000 0.053 0.000 1.401 1192 I HN 0.636 nan 8.210 nan 0.000 0.491 1193 N N 4.367 123.132 118.700 0.108 0.000 2.292 1193 N HA 0.394 5.123 4.740 -0.019 0.000 0.303 1193 N C -1.165 174.339 175.510 -0.010 0.000 1.140 1193 N CA -0.690 52.384 53.050 0.040 0.000 0.788 1193 N CB 1.692 40.209 38.487 0.051 0.000 1.361 1193 N HN 0.541 nan 8.380 nan 0.000 0.489 1194 Q N 0.848 120.527 119.800 -0.203 0.000 2.180 1194 Q HA 0.495 4.824 4.340 -0.019 0.000 0.241 1194 Q C -0.652 175.140 176.000 -0.347 0.000 0.970 1194 Q CA -0.647 54.856 55.803 -0.500 0.000 0.919 1194 Q CB 1.999 30.058 28.738 -1.132 0.000 1.222 1194 Q HN 0.479 nan 8.270 nan 0.000 0.482 1195 I N 1.458 121.844 120.570 -0.307 0.000 2.359 1195 I HA 0.353 4.512 4.170 -0.019 0.000 0.294 1195 I C -0.038 176.034 176.117 -0.075 0.000 0.987 1195 I CA -0.672 60.583 61.300 -0.076 0.000 1.225 1195 I CB 0.802 38.889 38.000 0.145 0.000 1.366 1195 I HN 0.324 nan 8.210 nan 0.000 0.466 1196 R N 4.591 125.049 120.500 -0.071 0.000 2.873 1196 R HA 0.616 4.945 4.340 -0.019 0.000 0.264 1196 R C -0.913 175.382 176.300 -0.009 0.000 1.026 1196 R CA -1.339 54.748 56.100 -0.022 0.000 1.002 1196 R CB 1.549 31.821 30.300 -0.046 0.000 1.174 1196 R HN 0.398 nan 8.270 nan 0.000 0.488 1197 M N 2.059 121.662 119.600 0.005 0.000 2.209 1197 M HA 0.230 4.698 4.480 -0.019 0.000 0.355 1197 M C -0.099 176.187 176.300 -0.023 0.000 1.171 1197 M CA -0.281 55.015 55.300 -0.006 0.000 1.069 1197 M CB 0.856 33.459 32.600 0.006 0.000 1.622 1197 M HN 0.288 nan 8.290 nan 0.000 0.459 1198 K N 4.795 125.172 120.400 -0.038 0.000 2.144 1198 K HA 0.577 4.886 4.320 -0.019 0.000 0.270 1198 K C -0.900 175.669 176.600 -0.052 0.000 1.005 1198 K CA -0.566 55.696 56.287 -0.042 0.000 0.932 1198 K CB 1.518 33.990 32.500 -0.046 0.000 1.021 1198 K HN 0.849 nan 8.250 nan 0.000 0.462 1199 I N -0.231 120.313 120.570 -0.043 0.000 2.465 1199 I HA 0.428 4.587 4.170 -0.019 0.000 0.291 1199 I C -0.188 175.902 176.117 -0.045 0.000 1.014 1199 I CA 0.140 61.414 61.300 -0.043 0.000 1.093 1199 I CB 1.524 39.509 38.000 -0.026 0.000 1.267 1199 I HN 1.020 nan 8.210 nan 0.000 0.431 1200 G N 5.126 113.891 108.800 -0.058 0.000 2.288 1200 G HA2 -0.113 3.836 3.960 -0.019 0.000 0.205 1200 G HA3 -0.113 3.836 3.960 -0.019 0.000 0.205 1200 G C -0.881 173.962 174.900 -0.096 0.000 1.071 1200 G CA 0.039 45.110 45.100 -0.049 0.000 0.788 1200 G HN 1.000 nan 8.290 nan 0.000 0.491 1201 V N 2.058 121.856 119.914 -0.193 0.000 2.524 1201 V HA 0.696 4.805 4.120 -0.019 0.000 0.297 1201 V C 1.016 176.848 176.094 -0.436 0.000 1.035 1201 V CA -0.236 61.785 62.300 -0.464 0.000 0.867 1201 V CB 1.204 32.702 31.823 -0.542 0.000 1.004 1201 V HN 0.369 nan 8.190 nan 0.000 0.426 1202 M N 6.008 125.354 119.600 -0.422 0.000 2.615 1202 M HA 0.284 4.753 4.480 -0.019 0.000 0.262 1202 M C 0.746 176.968 176.300 -0.130 0.000 1.198 1202 M CA 0.610 55.806 55.300 -0.175 0.000 1.165 1202 M CB -0.473 32.120 32.600 -0.012 0.000 1.310 1202 M HN 0.612 nan 8.290 nan 0.000 0.494 1203 F N 1.595 121.549 119.950 0.007 0.000 2.390 1203 F HA 0.682 5.198 4.527 -0.018 0.000 0.307 1203 F C 1.314 177.117 175.800 0.005 0.000 1.227 1203 F CA -0.403 57.600 58.000 0.005 0.000 1.179 1203 F CB -0.920 38.083 39.000 0.004 0.000 1.280 1203 F HN 0.414 nan 8.300 nan 0.000 0.548 1204 G N 1.126 110.071 108.800 0.242 0.000 2.602 1204 G HA2 -0.306 3.643 3.960 -0.019 0.000 0.306 1204 G HA3 -0.306 3.643 3.960 -0.019 0.000 0.306 1204 G C -0.625 174.283 174.900 0.013 0.000 1.301 1204 G CA 0.444 45.634 45.100 0.149 0.000 0.974 1204 G HN 1.462 nan 8.290 nan 0.000 0.547 1205 N N 1.119 119.819 118.700 -0.000 0.000 2.240 1205 N HA 0.529 5.258 4.740 -0.019 0.000 0.302 1205 N C -1.806 173.664 175.510 -0.066 0.000 1.106 1205 N CA -1.359 51.673 53.050 -0.031 0.000 0.778 1205 N CB 2.484 40.973 38.487 0.003 0.000 1.431 1205 N HN 0.324 nan 8.380 nan 0.000 0.479 1206 P HA 0.148 nan 4.420 nan 0.000 0.249 1206 P C -0.373 176.895 177.300 -0.053 0.000 1.229 1206 P CA 0.380 63.428 63.100 -0.087 0.000 0.788 1206 P CB 0.533 32.187 31.700 -0.076 0.000 1.072 1207 E N 0.255 120.434 120.200 -0.035 0.000 2.366 1207 E HA 0.311 4.650 4.350 -0.019 0.000 0.266 1207 E C 0.068 176.622 176.600 -0.077 0.000 1.051 1207 E CA 0.301 56.680 56.400 -0.036 0.000 0.884 1207 E CB 0.724 30.417 29.700 -0.011 0.000 1.006 1207 E HN 0.116 nan 8.360 nan 0.000 0.417 1208 T N 0.008 114.500 114.554 -0.103 0.000 2.618 1208 T HA 0.443 4.781 4.350 -0.019 0.000 0.293 1208 T C -0.543 174.032 174.700 -0.207 0.000 1.093 1208 T CA -0.773 61.237 62.100 -0.150 0.000 1.061 1208 T CB 1.700 70.509 68.868 -0.097 0.000 1.498 1208 T HN 0.314 nan 8.240 nan 0.000 0.494 1209 T N 1.656 116.089 114.554 -0.202 0.000 2.912 1209 T HA 0.624 4.963 4.350 -0.019 0.000 0.299 1209 T C -0.549 174.066 174.700 -0.142 0.000 1.052 1209 T CA -0.536 61.433 62.100 -0.219 0.000 0.996 1209 T CB 1.545 70.239 68.868 -0.290 0.000 1.070 1209 T HN 0.765 nan 8.240 nan 0.000 0.465 1210 T N 0.965 115.441 114.554 -0.131 0.000 2.868 1210 T HA 0.503 4.841 4.350 -0.019 0.000 0.292 1210 T C 1.238 175.886 174.700 -0.087 0.000 1.028 1210 T CA 0.297 62.338 62.100 -0.097 0.000 1.059 1210 T CB 0.624 69.436 68.868 -0.093 0.000 0.991 1210 T HN 1.170 nan 8.240 nan 0.000 0.531 1211 G N 0.277 109.037 108.800 -0.067 0.000 2.212 1211 G HA2 0.257 4.206 3.960 -0.019 0.000 0.255 1211 G HA3 0.257 4.206 3.960 -0.019 0.000 0.255 1211 G C 0.712 175.575 174.900 -0.063 0.000 1.062 1211 G CA 0.137 45.196 45.100 -0.070 0.000 0.815 1211 G HN 1.851 nan 8.290 nan 0.000 0.497 1212 G N -0.334 108.442 108.800 -0.040 0.000 2.593 1212 G HA2 -0.196 3.753 3.960 -0.019 0.000 0.237 1212 G HA3 -0.196 3.753 3.960 -0.019 0.000 0.237 1212 G C 0.554 175.460 174.900 0.010 0.000 1.312 1212 G CA 0.515 45.608 45.100 -0.012 0.000 0.896 1212 G HN 0.969 nan 8.290 nan 0.000 0.574 1213 N N 0.394 119.133 118.700 0.065 0.000 2.250 1213 N HA 0.244 4.973 4.740 -0.019 0.000 0.190 1213 N C 2.360 178.037 175.510 0.277 0.000 1.116 1213 N CA 1.134 54.277 53.050 0.154 0.000 0.881 1213 N CB 0.325 38.941 38.487 0.214 0.000 1.006 1213 N HN 0.837 nan 8.380 nan 0.000 0.491 1214 A N 1.588 124.526 122.820 0.198 0.000 1.865 1214 A HA -0.147 4.162 4.320 -0.019 0.000 0.217 1214 A C 2.164 179.961 177.584 0.355 0.000 1.191 1214 A CA 1.146 53.353 52.037 0.283 0.000 0.623 1214 A CB -0.729 18.335 19.000 0.107 0.000 0.826 1214 A HN 0.195 nan 8.150 nan 0.000 0.444 1215 L N 0.033 121.330 121.223 0.124 0.000 2.079 1215 L HA -0.176 4.153 4.340 -0.019 0.000 0.210 1215 L C 2.244 179.190 176.870 0.128 0.000 1.081 1215 L CA 2.247 57.126 54.840 0.065 0.000 0.752 1215 L CB -0.573 41.407 42.059 -0.132 0.000 0.896 1215 L HN 0.393 nan 8.230 nan 0.000 0.433 1216 K N -1.232 119.213 120.400 0.076 0.000 2.089 1216 K HA -0.234 4.075 4.320 -0.019 0.000 0.210 1216 K C 2.040 178.591 176.600 -0.082 0.000 1.048 1216 K CA 2.075 58.331 56.287 -0.051 0.000 0.926 1216 K CB -0.464 31.909 32.500 -0.212 0.000 0.714 1216 K HN 0.277 nan 8.250 nan 0.000 0.448 1217 F N -0.685 119.303 119.950 0.064 0.000 2.149 1217 F HA -0.099 4.417 4.527 -0.019 0.000 0.294 1217 F C 2.114 177.885 175.800 -0.049 0.000 1.095 1217 F CA 1.056 59.048 58.000 -0.013 0.000 1.276 1217 F CB -0.379 38.576 39.000 -0.076 0.000 1.023 1217 F HN -0.032 nan 8.300 nan 0.000 0.480 1218 Y N 0.190 120.620 120.300 0.217 0.000 2.373 1218 Y HA 0.171 4.710 4.550 -0.019 0.000 0.293 1218 Y C 1.672 177.636 175.900 0.106 0.000 1.129 1218 Y CA 0.021 58.208 58.100 0.145 0.000 1.226 1218 Y CB -0.804 37.723 38.460 0.113 0.000 1.000 1218 Y HN -0.111 nan 8.280 nan 0.000 0.549 1219 A N -0.035 122.918 122.820 0.222 0.000 2.546 1219 A HA 0.099 4.408 4.320 -0.019 0.000 0.243 1219 A C 1.250 178.881 177.584 0.078 0.000 1.063 1219 A CA 0.565 52.688 52.037 0.143 0.000 0.757 1219 A CB 0.095 19.161 19.000 0.109 0.000 0.991 1219 A HN 0.356 nan 8.150 nan 0.000 0.503 1220 S N 0.587 116.323 115.700 0.061 0.000 2.486 1220 S HA 0.198 4.657 4.470 -0.019 0.000 0.220 1220 S C 0.312 174.891 174.600 -0.035 0.000 1.011 1220 S CA 0.442 58.648 58.200 0.010 0.000 0.921 1220 S CB 0.133 63.343 63.200 0.017 0.000 0.785 1220 S HN 0.566 nan 8.310 nan 0.000 0.517 1221 V N 2.399 122.302 119.914 -0.018 0.000 2.733 1221 V HA 0.454 4.563 4.120 -0.019 0.000 0.306 1221 V C -0.905 175.175 176.094 -0.023 0.000 1.084 1221 V CA -0.841 61.430 62.300 -0.049 0.000 0.905 1221 V CB 2.132 33.926 31.823 -0.048 0.000 1.010 1221 V HN 0.141 nan 8.190 nan 0.000 0.424 1222 R N 4.273 124.742 120.500 -0.051 0.000 2.480 1222 R HA 0.672 5.001 4.340 -0.019 0.000 0.306 1222 R C -1.831 174.405 176.300 -0.107 0.000 0.958 1222 R CA -0.901 55.184 56.100 -0.024 0.000 0.861 1222 R CB 2.242 32.573 30.300 0.052 0.000 1.171 1222 R HN 0.339 nan 8.270 nan 0.000 0.445 1223 L N 2.434 123.558 121.223 -0.164 0.000 2.313 1223 L HA 0.289 4.618 4.340 -0.019 0.000 0.283 1223 L C -0.195 176.365 176.870 -0.518 0.000 1.013 1223 L CA -0.536 54.167 54.840 -0.229 0.000 0.816 1223 L CB 1.420 43.410 42.059 -0.115 0.000 1.236 1223 L HN 0.492 nan 8.230 nan 0.000 0.419 1224 D N 4.329 124.439 120.400 -0.484 0.000 2.454 1224 D HA 0.248 4.877 4.640 -0.019 0.000 0.225 1224 D C -0.607 175.557 176.300 -0.225 0.000 1.081 1224 D CA -0.208 53.444 54.000 -0.579 0.000 0.864 1224 D CB 0.813 41.411 40.800 -0.336 0.000 1.040 1224 D HN 0.453 nan 8.370 nan 0.000 0.517 1225 I N 3.329 123.803 120.570 -0.159 0.000 2.392 1225 I HA 0.470 4.629 4.170 -0.019 0.000 0.295 1225 I C -0.636 175.474 176.117 -0.012 0.000 0.985 1225 I CA -0.631 60.639 61.300 -0.051 0.000 1.221 1225 I CB 0.602 38.608 38.000 0.010 0.000 1.366 1225 I HN 0.240 nan 8.210 nan 0.000 0.467 1226 R N 5.667 126.148 120.500 -0.031 0.000 2.626 1226 R HA 0.378 4.707 4.340 -0.019 0.000 0.274 1226 R C -1.072 175.206 176.300 -0.036 0.000 1.031 1226 R CA -0.905 55.189 56.100 -0.011 0.000 0.898 1226 R CB 2.010 32.306 30.300 -0.008 0.000 1.222 1226 R HN 0.570 nan 8.270 nan 0.000 0.455 1227 R N 3.950 124.450 120.500 0.001 0.000 2.347 1227 R HA 0.171 4.500 4.340 -0.019 0.000 0.304 1227 R C 0.699 176.988 176.300 -0.019 0.000 1.072 1227 R CA 0.142 56.242 56.100 -0.000 0.000 0.980 1227 R CB 0.457 30.794 30.300 0.061 0.000 0.986 1227 R HN 0.771 nan 8.270 nan 0.000 0.448 1228 I N 0.460 121.001 120.570 -0.047 0.000 4.181 1228 I HA 0.484 4.643 4.170 -0.019 0.000 0.331 1228 I C 0.463 176.552 176.117 -0.046 0.000 1.312 1228 I CA -0.194 61.076 61.300 -0.050 0.000 1.146 1228 I CB 1.038 38.998 38.000 -0.068 0.000 1.074 1228 I HN 0.627 nan 8.210 nan 0.000 0.402 1229 G N 1.049 109.820 108.800 -0.048 0.000 2.441 1229 G HA2 0.661 4.610 3.960 -0.019 0.000 0.294 1229 G HA3 0.661 4.610 3.960 -0.019 0.000 0.294 1229 G C -1.976 172.884 174.900 -0.065 0.000 1.393 1229 G CA -0.235 44.831 45.100 -0.057 0.000 0.796 1229 G HN 0.297 nan 8.290 nan 0.000 0.494 1230 A N -0.553 122.215 122.820 -0.088 0.000 2.317 1230 A HA 0.725 5.034 4.320 -0.019 0.000 0.327 1230 A C -0.255 177.282 177.584 -0.078 0.000 1.178 1230 A CA -0.529 51.449 52.037 -0.098 0.000 0.817 1230 A CB 1.546 20.449 19.000 -0.162 0.000 1.189 1230 A HN 1.336 nan 8.150 nan 0.000 0.489 1231 V N 3.759 123.622 119.914 -0.084 0.000 2.389 1231 V HA 0.197 4.306 4.120 -0.019 0.000 0.264 1231 V C 0.359 176.420 176.094 -0.054 0.000 1.049 1231 V CA -0.005 62.249 62.300 -0.076 0.000 0.932 1231 V CB 0.358 32.120 31.823 -0.102 0.000 1.011 1231 V HN 0.846 nan 8.190 nan 0.000 0.475 1232 K N 3.346 123.724 120.400 -0.037 0.000 2.156 1232 K HA 0.479 4.788 4.320 -0.019 0.000 0.254 1232 K C -0.128 176.467 176.600 -0.009 0.000 0.950 1232 K CA -0.708 55.568 56.287 -0.019 0.000 0.849 1232 K CB 1.719 34.205 32.500 -0.023 0.000 1.100 1232 K HN 0.477 nan 8.250 nan 0.000 0.434 1233 E N 1.844 122.047 120.200 0.005 0.000 3.312 1233 E HA 0.124 4.463 4.350 -0.019 0.000 0.215 1233 E C 0.550 177.156 176.600 0.010 0.000 1.160 1233 E CA -0.141 56.264 56.400 0.009 0.000 1.267 1233 E CB 0.737 30.449 29.700 0.021 0.000 1.361 1233 E HN 1.008 nan 8.360 nan 0.000 0.433 1234 G N 2.587 111.389 108.800 0.003 0.000 4.230 1234 G HA2 -0.432 3.517 3.960 -0.019 0.000 0.340 1234 G HA3 -0.432 3.517 3.960 -0.019 0.000 0.340 1234 G C 1.167 176.070 174.900 0.005 0.000 1.315 1234 G CA 0.720 45.821 45.100 0.002 0.000 1.033 1234 G HN 0.451 nan 8.290 nan 0.000 0.741 1235 E N 1.885 122.093 120.200 0.012 0.000 2.021 1235 E HA -0.001 4.338 4.350 -0.019 0.000 0.189 1235 E C 1.187 177.804 176.600 0.027 0.000 0.980 1235 E CA 0.901 57.311 56.400 0.018 0.000 0.803 1235 E CB -0.379 29.334 29.700 0.022 0.000 0.766 1235 E HN 0.688 nan 8.360 nan 0.000 0.449 1236 N N 0.370 119.093 118.700 0.038 0.000 2.525 1236 N HA 0.108 4.837 4.740 -0.019 0.000 0.271 1236 N C -0.774 174.777 175.510 0.068 0.000 1.194 1236 N CA -0.140 52.948 53.050 0.063 0.000 0.964 1236 N CB 1.523 40.052 38.487 0.071 0.000 1.126 1236 N HN -0.198 nan 8.380 nan 0.000 0.452 1237 V N 2.224 122.208 119.914 0.117 0.000 2.320 1237 V HA 0.090 4.199 4.120 -0.019 0.000 0.265 1237 V C 0.609 176.850 176.094 0.244 0.000 1.048 1237 V CA -0.249 62.139 62.300 0.146 0.000 0.865 1237 V CB 1.022 32.946 31.823 0.169 0.000 1.043 1237 V HN 0.569 nan 8.190 nan 0.000 0.474 1238 V N 4.421 124.396 119.914 0.101 0.000 3.621 1238 V HA 0.628 4.737 4.120 -0.019 0.000 0.285 1238 V C 0.849 176.771 176.094 -0.287 0.000 1.346 1238 V CA 1.222 63.561 62.300 0.064 0.000 1.104 1238 V CB 0.252 32.097 31.823 0.037 0.000 0.913 1238 V HN 0.900 nan 8.190 nan 0.000 0.432 1239 G N -1.164 107.313 108.800 -0.539 0.000 2.506 1239 G HA2 0.461 4.410 3.960 -0.019 0.000 0.292 1239 G HA3 0.461 4.410 3.960 -0.019 0.000 0.292 1239 G C -1.437 173.141 174.900 -0.536 0.000 1.425 1239 G CA -0.297 44.213 45.100 -0.984 0.000 0.788 1239 G HN -0.007 nan 8.290 nan 0.000 0.490 1240 S N -0.051 115.438 115.700 -0.352 0.000 2.437 1240 S HA 0.486 4.945 4.470 -0.019 0.000 0.305 1240 S C -0.292 174.275 174.600 -0.055 0.000 1.109 1240 S CA -0.412 57.769 58.200 -0.031 0.000 1.099 1240 S CB 1.640 64.937 63.200 0.161 0.000 1.004 1240 S HN 0.585 nan 8.310 nan 0.000 0.475 1241 E N 2.233 122.395 120.200 -0.063 0.000 2.324 1241 E HA 0.307 4.646 4.350 -0.019 0.000 0.271 1241 E C -0.592 175.925 176.600 -0.137 0.000 1.028 1241 E CA 0.346 56.691 56.400 -0.090 0.000 0.890 1241 E CB 0.534 30.188 29.700 -0.077 0.000 1.004 1241 E HN 0.451 nan 8.360 nan 0.000 0.431 1242 T N 4.987 119.378 114.554 -0.272 0.000 2.876 1242 T HA 0.503 4.842 4.350 -0.019 0.000 0.289 1242 T C -0.748 173.621 174.700 -0.551 0.000 1.014 1242 T CA -0.759 61.086 62.100 -0.426 0.000 0.986 1242 T CB 1.249 69.758 68.868 -0.598 0.000 1.021 1242 T HN 0.323 nan 8.240 nan 0.000 0.458 1243 R N 2.124 122.403 120.500 -0.369 0.000 2.532 1243 R HA 0.675 5.004 4.340 -0.019 0.000 0.297 1243 R C -1.843 174.345 176.300 -0.187 0.000 0.984 1243 R CA -0.509 55.428 56.100 -0.270 0.000 0.884 1243 R CB 1.347 31.561 30.300 -0.144 0.000 1.182 1243 R HN 0.454 nan 8.270 nan 0.000 0.442 1244 V N 4.717 124.559 119.914 -0.121 0.000 2.448 1244 V HA 0.396 4.505 4.120 -0.019 0.000 0.295 1244 V C -0.229 175.856 176.094 -0.015 0.000 1.025 1244 V CA -0.824 61.456 62.300 -0.032 0.000 0.859 1244 V CB 1.776 33.648 31.823 0.081 0.000 0.988 1244 V HN 0.661 nan 8.190 nan 0.000 0.431 1245 K N 2.916 123.295 120.400 -0.034 0.000 2.159 1245 K HA 0.583 4.892 4.320 -0.019 0.000 0.266 1245 K C -0.871 175.704 176.600 -0.042 0.000 0.975 1245 K CA -0.680 55.602 56.287 -0.007 0.000 0.865 1245 K CB 2.196 34.713 32.500 0.028 0.000 1.087 1245 K HN 0.463 nan 8.250 nan 0.000 0.446 1246 V N 4.673 124.564 119.914 -0.039 0.000 2.338 1246 V HA -0.005 4.104 4.120 -0.019 0.000 0.255 1246 V C 1.135 177.112 176.094 -0.195 0.000 1.082 1246 V CA -0.058 62.174 62.300 -0.114 0.000 0.951 1246 V CB 0.696 32.444 31.823 -0.124 0.000 1.102 1246 V HN 0.668 nan 8.190 nan 0.000 0.489 1247 V N 3.677 123.495 119.914 -0.160 0.000 2.535 1247 V HA 0.057 4.166 4.120 -0.019 0.000 0.246 1247 V C 0.988 176.884 176.094 -0.330 0.000 1.045 1247 V CA 1.352 63.576 62.300 -0.128 0.000 1.058 1247 V CB -0.105 31.752 31.823 0.057 0.000 0.689 1247 V HN 0.782 nan 8.190 nan 0.000 0.461 1248 K N 0.760 120.998 120.400 -0.270 0.000 2.422 1248 K HA 0.414 4.723 4.320 -0.019 0.000 0.251 1248 K C -1.515 174.918 176.600 -0.278 0.000 0.933 1248 K CA -0.594 55.520 56.287 -0.289 0.000 0.798 1248 K CB 1.740 34.151 32.500 -0.149 0.000 1.238 1248 K HN 0.138 nan 8.250 nan 0.000 0.428 1249 N N 2.937 121.441 118.700 -0.325 0.000 2.519 1249 N HA 0.218 4.947 4.740 -0.019 0.000 0.291 1249 N C -0.944 174.395 175.510 -0.285 0.000 1.107 1249 N CA -0.377 52.504 53.050 -0.281 0.000 0.904 1249 N CB 1.709 40.005 38.487 -0.318 0.000 1.500 1249 N HN 0.634 nan 8.380 nan 0.000 0.510 1250 K N 2.382 122.655 120.400 -0.211 0.000 2.358 1250 K HA 0.295 4.604 4.320 -0.019 0.000 0.197 1250 K C 0.640 177.094 176.600 -0.244 0.000 1.025 1250 K CA 0.163 56.321 56.287 -0.214 0.000 1.104 1250 K CB 0.537 32.970 32.500 -0.111 0.000 0.855 1250 K HN 0.394 nan 8.250 nan 0.000 0.531 1251 I N -0.378 120.059 120.570 -0.220 0.000 4.312 1251 I HA 0.199 4.358 4.170 -0.019 0.000 0.324 1251 I C -0.053 175.963 176.117 -0.169 0.000 1.298 1251 I CA -0.083 61.121 61.300 -0.160 0.000 1.231 1251 I CB 1.209 39.152 38.000 -0.096 0.000 1.152 1251 I HN -0.055 nan 8.210 nan 0.000 0.421 1252 A N -0.319 122.371 122.820 -0.216 0.000 2.536 1252 A HA 0.840 5.149 4.320 -0.019 0.000 0.293 1252 A C -0.904 176.524 177.584 -0.261 0.000 1.119 1252 A CA -0.209 51.722 52.037 -0.177 0.000 0.654 1252 A CB -0.029 18.911 19.000 -0.100 0.000 1.291 1252 A HN 0.064 nan 8.150 nan 0.000 0.439 1253 A N 1.363 124.069 122.820 -0.191 0.000 2.540 1253 A HA 0.549 4.857 4.320 -0.019 0.000 0.239 1253 A C -1.988 175.395 177.584 -0.336 0.000 1.061 1253 A CA -0.285 51.576 52.037 -0.295 0.000 0.758 1253 A CB -0.746 18.243 19.000 -0.018 0.000 0.991 1253 A HN 0.543 nan 8.150 nan 0.000 0.502 1254 P HA 0.535 nan 4.420 nan 0.000 0.284 1254 P C -0.200 176.937 177.300 -0.270 0.000 1.292 1254 P CA -0.322 62.437 63.100 -0.568 0.000 0.800 1254 P CB 0.209 31.300 31.700 -1.016 0.000 1.188 1255 F N -4.473 115.448 119.950 -0.049 0.000 2.840 1255 F HA -0.197 4.319 4.527 -0.019 0.000 0.310 1255 F C 0.643 176.451 175.800 0.013 0.000 0.688 1255 F CA 0.699 58.701 58.000 0.004 0.000 1.286 1255 F CB -2.410 36.621 39.000 0.051 0.000 1.612 1255 F HN 0.225 nan 8.300 nan 0.000 0.335 1256 K N 1.209 121.672 120.400 0.104 0.000 2.126 1256 K HA 0.544 4.852 4.320 -0.019 0.000 0.257 1256 K C 0.433 177.067 176.600 0.057 0.000 1.007 1256 K CA -0.425 55.908 56.287 0.078 0.000 0.928 1256 K CB 0.990 33.516 32.500 0.043 0.000 1.013 1256 K HN 0.422 nan 8.250 nan 0.000 0.473 1257 Q N -0.328 119.503 119.800 0.052 0.000 2.451 1257 Q HA 0.745 5.074 4.340 -0.019 0.000 0.281 1257 Q C -1.712 174.314 176.000 0.043 0.000 1.099 1257 Q CA -1.320 54.507 55.803 0.040 0.000 0.806 1257 Q CB 2.099 30.857 28.738 0.033 0.000 1.419 1257 Q HN 0.524 nan 8.270 nan 0.000 0.427 1258 A N 1.388 124.240 122.820 0.053 0.000 2.374 1258 A HA 0.569 4.878 4.320 -0.019 0.000 0.305 1258 A C -1.208 176.401 177.584 0.042 0.000 1.053 1258 A CA -0.681 51.417 52.037 0.101 0.000 0.726 1258 A CB 1.473 20.593 19.000 0.201 0.000 1.229 1258 A HN 0.719 nan 8.150 nan 0.000 0.431 1259 E N 1.249 121.467 120.200 0.030 0.000 2.171 1259 E HA 0.669 5.008 4.350 -0.019 0.000 0.271 1259 E C -1.215 175.398 176.600 0.021 0.000 0.916 1259 E CA -0.332 56.009 56.400 -0.099 0.000 0.774 1259 E CB 1.885 31.542 29.700 -0.071 0.000 1.128 1259 E HN 0.617 nan 8.360 nan 0.000 0.403 1260 F N -1.111 118.829 119.950 -0.016 0.000 2.923 1260 F HA 0.433 4.949 4.527 -0.018 0.000 0.323 1260 F C -1.183 174.607 175.800 -0.017 0.000 1.189 1260 F CA -1.247 56.740 58.000 -0.022 0.000 0.930 1260 F CB 0.994 39.981 39.000 -0.020 0.000 1.414 1260 F HN 0.134 nan 8.300 nan 0.000 0.496 1261 Q N 1.272 121.257 119.800 0.309 0.000 2.282 1261 Q HA 0.629 4.958 4.340 -0.019 0.000 0.260 1261 Q C -1.192 174.962 176.000 0.256 0.000 0.964 1261 Q CA -0.717 55.183 55.803 0.161 0.000 0.880 1261 Q CB 2.936 31.712 28.738 0.063 0.000 1.286 1261 Q HN 0.570 nan 8.270 nan 0.000 0.445 1262 I N 3.923 124.586 120.570 0.156 0.000 2.306 1262 I HA 0.217 4.376 4.170 -0.019 0.000 0.288 1262 I C -0.572 175.522 176.117 -0.039 0.000 1.036 1262 I CA -0.443 60.944 61.300 0.145 0.000 1.221 1262 I CB 0.585 38.718 38.000 0.222 0.000 1.385 1262 I HN 0.383 nan 8.210 nan 0.000 0.472 1263 L N 7.083 128.298 121.223 -0.014 0.000 2.281 1263 L HA 0.292 4.621 4.340 -0.019 0.000 0.285 1263 L C -0.494 176.403 176.870 0.045 0.000 1.074 1263 L CA -0.793 53.994 54.840 -0.088 0.000 0.817 1263 L CB 0.078 42.129 42.059 -0.014 0.000 1.168 1263 L HN 0.378 nan 8.230 nan 0.000 0.434 1264 Y N 2.129 122.522 120.300 0.155 0.000 2.717 1264 Y HA 0.176 4.715 4.550 -0.018 0.000 0.330 1264 Y C 1.516 177.545 175.900 0.215 0.000 1.217 1264 Y CA 0.452 58.676 58.100 0.206 0.000 1.506 1264 Y CB -0.048 38.504 38.460 0.153 0.000 1.268 1264 Y HN 0.858 nan 8.280 nan 0.000 0.561 1265 G N 1.801 110.915 108.800 0.524 0.000 2.184 1265 G HA2 -0.370 3.579 3.960 -0.019 0.000 0.264 1265 G HA3 -0.370 3.579 3.960 -0.019 0.000 0.264 1265 G C 0.937 175.882 174.900 0.075 0.000 0.975 1265 G CA 0.768 46.054 45.100 0.310 0.000 0.642 1265 G HN 0.655 nan 8.290 nan 0.000 0.536 1266 E N -1.102 119.142 120.200 0.073 0.000 2.357 1266 E HA 0.464 4.803 4.350 -0.019 0.000 0.202 1266 E C 1.383 177.970 176.600 -0.023 0.000 0.855 1266 E CA 1.310 57.718 56.400 0.014 0.000 1.048 1266 E CB 0.617 30.343 29.700 0.044 0.000 1.037 1266 E HN 1.654 nan 8.360 nan 0.000 0.499 1267 G N 0.638 109.451 108.800 0.022 0.000 2.342 1267 G HA2 -0.132 3.817 3.960 -0.019 0.000 0.220 1267 G HA3 -0.132 3.817 3.960 -0.019 0.000 0.220 1267 G C -0.764 174.165 174.900 0.048 0.000 1.243 1267 G CA -0.447 44.662 45.100 0.016 0.000 1.083 1267 G HN 0.158 nan 8.290 nan 0.000 0.500 1268 I N 1.527 122.105 120.570 0.014 0.000 2.668 1268 I HA 0.033 4.192 4.170 -0.019 0.000 0.285 1268 I C 0.711 176.841 176.117 0.021 0.000 1.168 1268 I CA -0.176 61.122 61.300 -0.004 0.000 1.424 1268 I CB 0.607 38.482 38.000 -0.207 0.000 1.377 1268 I HN 0.454 nan 8.210 nan 0.000 0.560 1269 N N 6.655 125.396 118.700 0.068 0.000 2.549 1269 N HA -0.051 4.677 4.740 -0.019 0.000 0.267 1269 N C 0.495 176.027 175.510 0.037 0.000 1.182 1269 N CA 0.266 53.357 53.050 0.069 0.000 1.019 1269 N CB -0.053 38.476 38.487 0.070 0.000 1.380 1269 N HN 0.505 nan 8.380 nan 0.000 0.505 1270 F N 3.355 123.209 119.950 -0.161 0.000 2.128 1270 F HA -0.089 4.426 4.527 -0.019 0.000 0.295 1270 F C 0.901 176.549 175.800 -0.253 0.000 1.100 1270 F CA 1.367 59.197 58.000 -0.284 0.000 1.260 1270 F CB -0.086 38.635 39.000 -0.465 0.000 1.009 1270 F HN 0.412 nan 8.300 nan 0.000 0.476 1271 Y N 0.406 120.750 120.300 0.074 0.000 2.373 1271 Y HA 0.046 4.585 4.550 -0.019 0.000 0.293 1271 Y C 2.649 178.490 175.900 -0.099 0.000 1.129 1271 Y CA 0.865 58.951 58.100 -0.023 0.000 1.226 1271 Y CB -1.331 37.165 38.460 0.060 0.000 1.000 1271 Y HN 0.130 nan 8.280 nan 0.000 0.549 1272 G N 0.065 108.898 108.800 0.055 0.000 2.446 1272 G HA2 -0.271 3.678 3.960 -0.019 0.000 0.217 1272 G HA3 -0.271 3.678 3.960 -0.019 0.000 0.217 1272 G C 1.508 176.371 174.900 -0.062 0.000 1.168 1272 G CA 1.173 46.270 45.100 -0.006 0.000 0.771 1272 G HN 0.406 nan 8.290 nan 0.000 0.551 1273 E N -0.326 119.799 120.200 -0.125 0.000 2.058 1273 E HA -0.135 4.204 4.350 -0.019 0.000 0.194 1273 E C 2.420 178.902 176.600 -0.198 0.000 0.997 1273 E CA 0.879 57.179 56.400 -0.167 0.000 0.801 1273 E CB -0.241 29.295 29.700 -0.274 0.000 0.746 1273 E HN 0.296 nan 8.360 nan 0.000 0.450 1274 L N 0.749 121.795 121.223 -0.295 0.000 2.042 1274 L HA -0.195 4.133 4.340 -0.019 0.000 0.210 1274 L C 2.240 179.060 176.870 -0.083 0.000 1.076 1274 L CA 1.399 56.110 54.840 -0.215 0.000 0.749 1274 L CB -0.427 41.523 42.059 -0.183 0.000 0.893 1274 L HN -0.017 nan 8.230 nan 0.000 0.432 1275 V N -0.246 119.633 119.914 -0.059 0.000 2.233 1275 V HA -0.337 3.772 4.120 -0.019 0.000 0.247 1275 V C 2.302 178.396 176.094 -0.001 0.000 1.050 1275 V CA 2.121 64.390 62.300 -0.051 0.000 1.010 1275 V CB -0.785 30.950 31.823 -0.147 0.000 0.637 1275 V HN 0.435 nan 8.190 nan 0.000 0.444 1276 D N -0.169 120.225 120.400 -0.009 0.000 2.123 1276 D HA -0.126 4.503 4.640 -0.019 0.000 0.196 1276 D C 2.071 178.384 176.300 0.023 0.000 0.992 1276 D CA 0.980 54.996 54.000 0.026 0.000 0.833 1276 D CB -0.280 40.528 40.800 0.013 0.000 0.954 1276 D HN 0.174 nan 8.370 nan 0.000 0.455 1277 L N 0.528 121.745 121.223 -0.011 0.000 2.093 1277 L HA -0.012 4.317 4.340 -0.019 0.000 0.208 1277 L C 2.466 179.345 176.870 0.014 0.000 1.085 1277 L CA 1.489 56.324 54.840 -0.009 0.000 0.755 1277 L CB -1.573 40.458 42.059 -0.046 0.000 0.904 1277 L HN 0.074 nan 8.230 nan 0.000 0.435 1278 G N -0.883 107.927 108.800 0.017 0.000 2.421 1278 G HA2 -0.174 3.775 3.960 -0.019 0.000 0.216 1278 G HA3 -0.174 3.775 3.960 -0.019 0.000 0.216 1278 G C 1.764 176.713 174.900 0.082 0.000 1.171 1278 G CA 0.900 46.028 45.100 0.048 0.000 0.775 1278 G HN 0.239 nan 8.290 nan 0.000 0.543 1279 V N 0.814 120.787 119.914 0.099 0.000 2.343 1279 V HA -0.155 3.954 4.120 -0.019 0.000 0.247 1279 V C 2.710 178.848 176.094 0.074 0.000 1.051 1279 V CA 2.218 64.587 62.300 0.114 0.000 1.036 1279 V CB -0.357 31.567 31.823 0.167 0.000 0.654 1279 V HN 0.399 nan 8.190 nan 0.000 0.451 1280 K N -0.168 120.268 120.400 0.059 0.000 2.097 1280 K HA -0.186 4.123 4.320 -0.019 0.000 0.206 1280 K C 1.684 178.308 176.600 0.041 0.000 1.049 1280 K CA 1.369 57.682 56.287 0.043 0.000 0.933 1280 K CB 0.004 32.524 32.500 0.034 0.000 0.717 1280 K HN 0.361 nan 8.250 nan 0.000 0.442 1281 E N 0.818 121.045 120.200 0.045 0.000 2.437 1281 E HA -0.007 4.332 4.350 -0.019 0.000 0.189 1281 E C -0.265 176.367 176.600 0.054 0.000 1.054 1281 E CA 0.116 56.543 56.400 0.045 0.000 0.874 1281 E CB 0.497 30.223 29.700 0.044 0.000 1.011 1281 E HN 0.180 nan 8.360 nan 0.000 0.474 1282 K N -0.110 120.325 120.400 0.058 0.000 3.088 1282 K HA -0.201 4.107 4.320 -0.019 0.000 0.273 1282 K C 0.927 177.577 176.600 0.083 0.000 1.111 1282 K CA 0.460 56.783 56.287 0.060 0.000 0.803 1282 K CB -2.186 30.340 32.500 0.042 0.000 1.226 1282 K HN 0.275 nan 8.250 nan 0.000 0.485 1283 L N -0.507 120.784 121.223 0.113 0.000 2.298 1283 L HA 0.209 4.538 4.340 -0.019 0.000 0.209 1283 L C 1.168 178.198 176.870 0.266 0.000 1.084 1283 L CA 0.539 55.487 54.840 0.180 0.000 0.816 1283 L CB 0.143 42.309 42.059 0.180 0.000 0.967 1283 L HN 0.117 nan 8.230 nan 0.000 0.460 1284 I N -0.226 120.467 120.570 0.205 0.000 2.404 1284 I HA 0.201 4.360 4.170 -0.019 0.000 0.293 1284 I C -0.195 176.016 176.117 0.157 0.000 0.992 1284 I CA -0.617 60.822 61.300 0.231 0.000 1.149 1284 I CB 2.167 40.293 38.000 0.210 0.000 1.315 1284 I HN -0.108 nan 8.210 nan 0.000 0.446 1285 E N 5.626 125.903 120.200 0.129 0.000 2.331 1285 E HA 0.227 4.565 4.350 -0.019 0.000 0.272 1285 E C -0.689 175.918 176.600 0.011 0.000 1.036 1285 E CA -0.193 56.240 56.400 0.055 0.000 0.864 1285 E CB 0.922 30.639 29.700 0.028 0.000 1.035 1285 E HN 0.288 nan 8.360 nan 0.000 0.408 1286 K N 2.668 123.027 120.400 -0.069 0.000 2.572 1286 K HA 0.493 4.801 4.320 -0.019 0.000 0.244 1286 K C -1.612 174.898 176.600 -0.150 0.000 0.965 1286 K CA -0.616 55.528 56.287 -0.238 0.000 0.943 1286 K CB 1.080 33.385 32.500 -0.326 0.000 1.154 1286 K HN 0.505 nan 8.250 nan 0.000 0.447 1287 A N 3.436 126.199 122.820 -0.095 0.000 2.880 1287 A HA 0.549 4.858 4.320 -0.019 0.000 0.328 1287 A C 0.873 178.455 177.584 -0.003 0.000 1.440 1287 A CA 0.391 52.413 52.037 -0.025 0.000 1.068 1287 A CB -0.223 18.785 19.000 0.015 0.000 1.163 1287 A HN 1.044 nan 8.150 nan 0.000 0.510 1288 G N 1.568 110.335 108.800 -0.054 0.000 3.274 1288 G HA2 -0.120 3.829 3.960 -0.019 0.000 0.313 1288 G HA3 -0.120 3.829 3.960 -0.019 0.000 0.313 1288 G C 1.322 176.152 174.900 -0.115 0.000 1.295 1288 G CA 0.851 45.922 45.100 -0.049 0.000 1.004 1288 G HN 1.913 nan 8.290 nan 0.000 0.614 1289 A N -0.868 121.893 122.820 -0.097 0.000 2.343 1289 A HA 0.528 4.837 4.320 -0.019 0.000 0.223 1289 A C 0.566 177.991 177.584 -0.266 0.000 1.214 1289 A CA 0.438 52.364 52.037 -0.185 0.000 0.900 1289 A CB 0.094 18.986 19.000 -0.181 0.000 0.942 1289 A HN 0.573 nan 8.150 nan 0.000 0.507 1290 W N 0.035 121.241 121.300 -0.157 0.000 2.358 1290 W HA 0.497 5.146 4.660 -0.018 0.000 0.307 1290 W C -0.831 175.568 176.519 -0.201 0.000 1.203 1290 W CA -0.080 57.204 57.345 -0.101 0.000 1.279 1290 W CB 0.322 29.741 29.460 -0.068 0.000 1.264 1290 W HN 0.237 nan 8.180 nan 0.000 0.474 1291 Y N 2.929 123.350 120.300 0.203 0.000 2.341 1291 Y HA 0.373 4.912 4.550 -0.019 0.000 0.340 1291 Y C 0.542 176.495 175.900 0.088 0.000 0.997 1291 Y CA -0.248 57.912 58.100 0.100 0.000 1.149 1291 Y CB 1.037 39.508 38.460 0.018 0.000 1.171 1291 Y HN 0.143 nan 8.280 nan 0.000 0.494 1292 S N 2.901 118.701 115.700 0.166 0.000 2.532 1292 S HA 0.435 4.894 4.470 -0.019 0.000 0.301 1292 S C -1.798 172.866 174.600 0.106 0.000 1.083 1292 S CA -0.795 57.446 58.200 0.069 0.000 1.025 1292 S CB 1.324 64.532 63.200 0.014 0.000 1.056 1292 S HN 0.501 nan 8.310 nan 0.000 0.494 1293 Y N 2.489 122.716 120.300 -0.120 0.000 2.326 1293 Y HA 0.361 4.900 4.550 -0.018 0.000 0.329 1293 Y C -0.073 175.799 175.900 -0.047 0.000 0.973 1293 Y CA -1.087 56.967 58.100 -0.077 0.000 1.162 1293 Y CB 0.488 38.884 38.460 -0.107 0.000 1.147 1293 Y HN 0.807 nan 8.280 nan 0.000 0.456 1294 K N 5.046 125.150 120.400 -0.493 0.000 3.278 1294 K HA -0.262 4.047 4.320 -0.019 0.000 0.270 1294 K C 0.985 177.460 176.600 -0.208 0.000 0.955 1294 K CA 0.976 57.011 56.287 -0.419 0.000 0.723 1294 K CB -1.619 30.514 32.500 -0.612 0.000 1.382 1294 K HN 1.325 nan 8.250 nan 0.000 0.461 1295 G N 0.232 108.949 108.800 -0.137 0.000 2.417 1295 G HA2 -0.399 3.550 3.960 -0.019 0.000 0.233 1295 G HA3 -0.399 3.550 3.960 -0.019 0.000 0.233 1295 G C 0.005 174.849 174.900 -0.093 0.000 1.103 1295 G CA 0.515 45.555 45.100 -0.099 0.000 0.647 1295 G HN 0.550 nan 8.290 nan 0.000 0.512 1296 E N 1.939 122.086 120.200 -0.089 0.000 2.324 1296 E HA 0.334 4.673 4.350 -0.019 0.000 0.271 1296 E C 0.123 176.656 176.600 -0.112 0.000 1.028 1296 E CA -0.345 56.008 56.400 -0.078 0.000 0.890 1296 E CB 0.238 29.921 29.700 -0.029 0.000 1.004 1296 E HN 0.385 nan 8.360 nan 0.000 0.431 1297 K N 4.973 125.305 120.400 -0.114 0.000 2.322 1297 K HA 0.145 4.454 4.320 -0.019 0.000 0.283 1297 K C 0.951 177.459 176.600 -0.154 0.000 1.042 1297 K CA -0.017 56.224 56.287 -0.076 0.000 0.958 1297 K CB 0.776 33.204 32.500 -0.119 0.000 0.984 1297 K HN 0.568 nan 8.250 nan 0.000 0.473 1298 I N -1.844 118.582 120.570 -0.240 0.000 4.181 1298 I HA 0.308 4.467 4.170 -0.019 0.000 0.331 1298 I C 0.553 176.514 176.117 -0.259 0.000 1.312 1298 I CA -0.316 60.544 61.300 -0.734 0.000 1.146 1298 I CB 0.971 38.171 38.000 -1.333 0.000 1.074 1298 I HN 0.595 nan 8.210 nan 0.000 0.402 1299 G N 1.164 110.004 108.800 0.067 0.000 2.361 1299 G HA2 0.210 4.159 3.960 -0.019 0.000 0.299 1299 G HA3 0.210 4.159 3.960 -0.019 0.000 0.299 1299 G C -2.147 172.702 174.900 -0.085 0.000 1.544 1299 G CA -0.696 44.430 45.100 0.044 0.000 0.860 1299 G HN 0.196 nan 8.290 nan 0.000 0.610 1300 Q N 0.194 119.740 119.800 -0.423 0.000 2.325 1300 Q HA 0.559 4.888 4.340 -0.019 0.000 0.262 1300 Q C 0.358 176.208 176.000 -0.250 0.000 0.968 1300 Q CA 0.418 55.813 55.803 -0.681 0.000 0.877 1300 Q CB 1.278 29.288 28.738 -1.214 0.000 1.253 1300 Q HN 2.413 nan 8.270 nan 0.000 0.448 1301 G N 3.006 111.789 108.800 -0.028 0.000 2.767 1301 G HA2 -0.261 3.688 3.960 -0.019 0.000 0.686 1301 G HA3 -0.261 3.688 3.960 -0.019 0.000 0.686 1301 G C 0.086 174.997 174.900 0.018 0.000 1.213 1301 G CA 0.021 45.166 45.100 0.074 0.000 0.803 1301 G HN 0.815 nan 8.290 nan 0.000 0.603 1302 K N 1.154 121.560 120.400 0.010 0.000 2.127 1302 K HA -0.099 4.210 4.320 -0.019 0.000 0.208 1302 K C 2.928 179.408 176.600 -0.200 0.000 1.047 1302 K CA 2.587 58.712 56.287 -0.269 0.000 0.927 1302 K CB -0.324 32.121 32.500 -0.091 0.000 0.716 1302 K HN 1.166 nan 8.250 nan 0.000 0.450 1303 A N 1.206 123.968 122.820 -0.097 0.000 1.873 1303 A HA -0.262 4.047 4.320 -0.019 0.000 0.218 1303 A C 1.777 179.323 177.584 -0.065 0.000 1.193 1303 A CA 2.230 54.229 52.037 -0.064 0.000 0.629 1303 A CB -0.877 18.099 19.000 -0.040 0.000 0.826 1303 A HN 0.556 nan 8.150 nan 0.000 0.447 1304 N N -0.344 118.310 118.700 -0.076 0.000 2.216 1304 N HA 0.055 4.784 4.740 -0.019 0.000 0.183 1304 N C 1.914 177.409 175.510 -0.024 0.000 1.017 1304 N CA 1.023 54.048 53.050 -0.041 0.000 0.861 1304 N CB -0.255 38.201 38.487 -0.052 0.000 0.986 1304 N HN 0.487 nan 8.380 nan 0.000 0.428 1305 A N 0.419 123.157 122.820 -0.137 0.000 1.940 1305 A HA -0.157 4.152 4.320 -0.019 0.000 0.219 1305 A C 2.217 179.773 177.584 -0.047 0.000 1.176 1305 A CA 1.800 53.741 52.037 -0.159 0.000 0.631 1305 A CB -1.056 17.602 19.000 -0.570 0.000 0.814 1305 A HN 0.233 nan 8.150 nan 0.000 0.446 1306 T N 0.374 114.876 114.554 -0.086 0.000 2.708 1306 T HA -0.046 4.293 4.350 -0.019 0.000 0.266 1306 T C 2.213 176.898 174.700 -0.024 0.000 1.037 1306 T CA 1.649 63.739 62.100 -0.017 0.000 1.146 1306 T CB -0.476 68.390 68.868 -0.003 0.000 0.865 1306 T HN 0.610 nan 8.240 nan 0.000 0.435 1307 A N 0.179 122.993 122.820 -0.009 0.000 1.972 1307 A HA -0.096 4.213 4.320 -0.019 0.000 0.219 1307 A C 2.039 179.608 177.584 -0.026 0.000 1.169 1307 A CA 1.364 53.386 52.037 -0.024 0.000 0.635 1307 A CB -1.085 17.918 19.000 0.005 0.000 0.810 1307 A HN 0.705 nan 8.150 nan 0.000 0.446 1308 W N 0.418 121.644 121.300 -0.123 0.000 2.388 1308 W HA -0.097 4.552 4.660 -0.019 0.000 0.294 1308 W C 1.714 178.133 176.519 -0.167 0.000 1.212 1308 W CA 1.731 59.014 57.345 -0.104 0.000 1.271 1308 W CB -0.159 29.270 29.460 -0.051 0.000 1.126 1308 W HN 0.252 nan 8.180 nan 0.000 0.535 1309 L N 0.424 121.620 121.223 -0.044 0.000 2.156 1309 L HA -0.171 4.158 4.340 -0.019 0.000 0.208 1309 L C 2.461 178.885 176.870 -0.744 0.000 1.095 1309 L CA 1.280 55.943 54.840 -0.296 0.000 0.770 1309 L CB -0.741 41.260 42.059 -0.096 0.000 0.914 1309 L HN -0.112 nan 8.230 nan 0.000 0.439 1310 K N 0.105 120.002 120.400 -0.838 0.000 2.063 1310 K HA -0.215 4.094 4.320 -0.019 0.000 0.208 1310 K C 1.611 177.938 176.600 -0.455 0.000 1.048 1310 K CA 1.886 57.718 56.287 -0.759 0.000 0.928 1310 K CB -0.151 32.105 32.500 -0.405 0.000 0.713 1310 K HN 0.226 nan 8.250 nan 0.000 0.442 1311 D N 0.314 120.459 120.400 -0.424 0.000 2.178 1311 D HA -0.066 4.562 4.640 -0.019 0.000 0.202 1311 D C -0.181 175.840 176.300 -0.465 0.000 0.974 1311 D CA 0.963 54.729 54.000 -0.391 0.000 0.841 1311 D CB 0.004 40.573 40.800 -0.385 0.000 0.953 1311 D HN 0.139 nan 8.370 nan 0.000 0.478 1312 N N 0.044 118.357 118.700 -0.644 0.000 2.976 1312 N HA 0.203 4.931 4.740 -0.019 0.000 0.255 1312 N C -2.180 173.117 175.510 -0.354 0.000 1.312 1312 N CA -1.091 51.612 53.050 -0.578 0.000 0.897 1312 N CB 1.694 39.584 38.487 -0.995 0.000 1.184 1312 N HN -0.029 nan 8.380 nan 0.000 0.497 1313 P HA -0.110 nan 4.420 nan 0.000 0.221 1313 P C 0.879 178.157 177.300 -0.037 0.000 1.150 1313 P CA 1.019 64.064 63.100 -0.092 0.000 0.800 1313 P CB 0.455 32.121 31.700 -0.057 0.000 0.787 1314 E N -0.570 119.593 120.200 -0.062 0.000 2.072 1314 E HA -0.091 4.248 4.350 -0.019 0.000 0.190 1314 E C 1.735 178.340 176.600 0.008 0.000 0.982 1314 E CA 1.472 57.861 56.400 -0.018 0.000 0.803 1314 E CB -1.777 27.911 29.700 -0.020 0.000 0.755 1314 E HN 0.257 nan 8.360 nan 0.000 0.453 1315 T N 1.714 116.257 114.554 -0.019 0.000 2.857 1315 T HA 0.017 4.356 4.350 -0.019 0.000 0.266 1315 T C 2.074 176.778 174.700 0.007 0.000 1.048 1315 T CA 1.306 63.425 62.100 0.032 0.000 1.139 1315 T CB -0.234 68.671 68.868 0.062 0.000 0.874 1315 T HN 0.309 nan 8.240 nan 0.000 0.455 1316 A N 2.335 125.159 122.820 0.006 0.000 1.883 1316 A HA -0.150 4.159 4.320 -0.019 0.000 0.217 1316 A C 2.316 179.973 177.584 0.122 0.000 1.186 1316 A CA 1.280 53.377 52.037 0.100 0.000 0.624 1316 A CB -0.365 18.774 19.000 0.232 0.000 0.822 1316 A HN 0.207 nan 8.150 nan 0.000 0.444 1317 K N -0.198 120.263 120.400 0.102 0.000 2.063 1317 K HA -0.197 4.111 4.320 -0.019 0.000 0.208 1317 K C 1.937 178.582 176.600 0.075 0.000 1.048 1317 K CA 1.658 57.998 56.287 0.087 0.000 0.928 1317 K CB -0.487 32.047 32.500 0.056 0.000 0.713 1317 K HN 0.794 nan 8.250 nan 0.000 0.442 1318 E N 0.674 120.916 120.200 0.070 0.000 2.051 1318 E HA -0.146 4.193 4.350 -0.019 0.000 0.192 1318 E C 2.125 178.774 176.600 0.081 0.000 0.991 1318 E CA 0.971 57.421 56.400 0.083 0.000 0.799 1318 E CB -0.027 29.742 29.700 0.116 0.000 0.748 1318 E HN 0.231 nan 8.360 nan 0.000 0.449 1319 I N 0.967 121.564 120.570 0.045 0.000 2.226 1319 I HA -0.236 3.923 4.170 -0.019 0.000 0.245 1319 I C 2.719 178.860 176.117 0.040 0.000 1.100 1319 I CA 1.179 62.492 61.300 0.022 0.000 1.374 1319 I CB -0.420 37.529 38.000 -0.085 0.000 1.057 1319 I HN 0.247 nan 8.210 nan 0.000 0.413 1320 E N 1.688 121.921 120.200 0.055 0.000 2.058 1320 E HA -0.314 4.025 4.350 -0.019 0.000 0.194 1320 E C 2.246 178.880 176.600 0.057 0.000 0.997 1320 E CA 1.590 58.027 56.400 0.062 0.000 0.801 1320 E CB -0.019 29.760 29.700 0.131 0.000 0.746 1320 E HN 0.326 nan 8.360 nan 0.000 0.450 1321 K N 0.624 121.061 120.400 0.062 0.000 2.063 1321 K HA -0.218 4.091 4.320 -0.019 0.000 0.208 1321 K C 2.128 178.758 176.600 0.050 0.000 1.048 1321 K CA 1.745 58.064 56.287 0.053 0.000 0.928 1321 K CB 0.031 32.563 32.500 0.053 0.000 0.713 1321 K HN -0.037 nan 8.250 nan 0.000 0.442 1322 K N -0.050 120.385 120.400 0.057 0.000 2.057 1322 K HA -0.069 4.240 4.320 -0.019 0.000 0.206 1322 K C 1.970 178.598 176.600 0.047 0.000 1.050 1322 K CA 1.106 57.428 56.287 0.058 0.000 0.935 1322 K CB 0.064 32.611 32.500 0.079 0.000 0.715 1322 K HN -0.037 nan 8.250 nan 0.000 0.439 1323 V N 1.323 121.261 119.914 0.040 0.000 2.287 1323 V HA -0.280 3.829 4.120 -0.019 0.000 0.248 1323 V C 2.189 178.297 176.094 0.023 0.000 1.053 1323 V CA 1.756 64.072 62.300 0.026 0.000 1.027 1323 V CB -0.431 31.395 31.823 0.005 0.000 0.646 1323 V HN 0.281 nan 8.190 nan 0.000 0.447 1324 R N -0.247 120.269 120.500 0.026 0.000 2.073 1324 R HA -0.187 4.142 4.340 -0.019 0.000 0.234 1324 R C 2.351 178.667 176.300 0.026 0.000 1.134 1324 R CA 1.834 57.949 56.100 0.025 0.000 0.952 1324 R CB -0.356 29.962 30.300 0.030 0.000 0.850 1324 R HN 0.604 nan 8.270 nan 0.000 0.433 1325 E N 0.605 120.823 120.200 0.030 0.000 2.085 1325 E HA -0.208 4.131 4.350 -0.019 0.000 0.194 1325 E C 2.023 178.640 176.600 0.029 0.000 0.994 1325 E CA 1.182 57.600 56.400 0.030 0.000 0.801 1325 E CB -0.106 29.614 29.700 0.033 0.000 0.743 1325 E HN 0.282 nan 8.360 nan 0.000 0.453 1326 L N -0.004 121.238 121.223 0.031 0.000 2.093 1326 L HA -0.141 4.187 4.340 -0.019 0.000 0.208 1326 L C 2.046 178.933 176.870 0.028 0.000 1.085 1326 L CA 0.883 55.741 54.840 0.030 0.000 0.755 1326 L CB 0.025 42.104 42.059 0.033 0.000 0.904 1326 L HN 0.167 nan 8.230 nan 0.000 0.435 1327 L N -1.455 119.783 121.223 0.025 0.000 2.781 1327 L HA 0.195 4.524 4.340 -0.019 0.000 0.245 1327 L C 0.356 177.239 176.870 0.023 0.000 1.118 1327 L CA -0.289 54.565 54.840 0.024 0.000 0.918 1327 L CB 0.556 42.627 42.059 0.020 0.000 1.246 1327 L HN 0.053 nan 8.230 nan 0.000 0.526 1328 L N 0.832 122.068 121.223 0.022 0.000 2.361 1328 L HA 0.080 4.409 4.340 -0.019 0.000 0.278 1328 L C 1.469 178.353 176.870 0.023 0.000 1.113 1328 L CA -0.091 54.761 54.840 0.020 0.000 0.849 1328 L CB 1.425 43.495 42.059 0.018 0.000 1.155 1328 L HN 0.184 nan 8.230 nan 0.000 0.452 1329 S N 1.243 116.958 115.700 0.024 0.000 2.446 1329 S HA -0.004 4.455 4.470 -0.019 0.000 0.225 1329 S C 0.605 175.224 174.600 0.032 0.000 1.016 1329 S CA 0.058 58.277 58.200 0.032 0.000 0.943 1329 S CB -0.090 63.133 63.200 0.039 0.000 0.786 1329 S HN 0.710 nan 8.310 nan 0.000 0.508 1330 N N 2.612 121.325 118.700 0.022 0.000 2.904 1330 N HA 0.480 5.209 4.740 -0.019 0.000 0.257 1330 N C -3.137 172.382 175.510 0.016 0.000 1.363 1330 N CA -1.374 51.689 53.050 0.021 0.000 0.856 1330 N CB 1.249 39.745 38.487 0.014 0.000 1.166 1330 N HN 0.250 nan 8.380 nan 0.000 0.499 1331 P HA 0.083 nan 4.420 nan 0.000 0.272 1331 P C -0.616 176.692 177.300 0.014 0.000 1.240 1331 P CA -0.264 62.846 63.100 0.016 0.000 0.791 1331 P CB 0.811 32.522 31.700 0.018 0.000 0.978 1332 N N -0.006 118.701 118.700 0.011 0.000 2.310 1332 N HA 0.480 5.209 4.740 -0.019 0.000 0.292 1332 N C -1.413 174.102 175.510 0.008 0.000 1.049 1332 N CA -0.326 52.729 53.050 0.009 0.000 0.849 1332 N CB 1.247 39.737 38.487 0.005 0.000 1.532 1332 N HN 0.523 nan 8.380 nan 0.000 0.479 2002 I N 1.393 121.963 120.570 -0.000 0.000 2.494 2002 I HA 0.010 4.169 4.170 -0.019 0.000 0.250 2002 I C 1.822 177.938 176.117 -0.001 0.000 1.112 2002 I CA 1.512 62.812 61.300 -0.000 0.000 1.438 2002 I CB -0.184 37.816 38.000 -0.000 0.000 1.111 2002 I HN 0.425 nan 8.210 nan 0.000 0.431 2003 D N 0.624 121.023 120.400 -0.002 0.000 2.348 2003 D HA -0.104 4.525 4.640 -0.019 0.000 0.211 2003 D C 1.617 177.916 176.300 -0.002 0.000 0.998 2003 D CA 0.587 54.585 54.000 -0.003 0.000 0.873 2003 D CB -0.274 40.524 40.800 -0.004 0.000 0.925 2003 D HN 0.333 nan 8.370 nan 0.000 0.524 2004 E N 0.074 120.273 120.200 -0.001 0.000 2.158 2004 E HA -0.011 4.327 4.350 -0.019 0.000 0.191 2004 E C 1.642 178.242 176.600 0.000 0.000 0.982 2004 E CA 0.389 56.788 56.400 -0.001 0.000 0.823 2004 E CB 0.006 29.706 29.700 -0.001 0.000 0.766 2004 E HN 0.164 nan 8.360 nan 0.000 0.468 2005 N N 0.886 119.586 118.700 0.001 0.000 2.244 2005 N HA -0.121 4.608 4.740 -0.019 0.000 0.183 2005 N C 1.388 176.899 175.510 0.002 0.000 1.016 2005 N CA 0.935 53.986 53.050 0.002 0.000 0.866 2005 N CB 0.059 38.547 38.487 0.002 0.000 0.980 2005 N HN 0.149 nan 8.380 nan 0.000 0.430 2006 K N 0.971 121.372 120.400 0.001 0.000 2.026 2006 K HA -0.087 4.222 4.320 -0.019 0.000 0.208 2006 K C 2.054 178.654 176.600 0.001 0.000 1.048 2006 K CA 1.033 57.321 56.287 0.000 0.000 0.929 2006 K CB -0.063 32.436 32.500 -0.001 0.000 0.713 2006 K HN 0.290 nan 8.250 nan 0.000 0.439 2007 Q N 0.702 120.502 119.800 0.000 0.000 2.119 2007 Q HA -0.162 4.167 4.340 -0.019 0.000 0.201 2007 Q C 2.114 178.116 176.000 0.002 0.000 0.972 2007 Q CA 1.178 56.981 55.803 0.001 0.000 0.847 2007 Q CB -0.050 28.688 28.738 -0.000 0.000 0.903 2007 Q HN 0.232 nan 8.270 nan 0.000 0.433 2008 K N 0.748 121.149 120.400 0.002 0.000 2.044 2008 K HA -0.193 4.116 4.320 -0.019 0.000 0.210 2008 K C 1.921 178.524 176.600 0.004 0.000 1.049 2008 K CA 1.464 57.752 56.287 0.003 0.000 0.927 2008 K CB -0.132 32.370 32.500 0.003 0.000 0.713 2008 K HN 0.166 nan 8.250 nan 0.000 0.443 2009 A N 0.803 123.626 122.820 0.004 0.000 2.016 2009 A HA -0.027 4.281 4.320 -0.019 0.000 0.217 2009 A C 1.963 179.551 177.584 0.006 0.000 1.162 2009 A CA 0.749 52.789 52.037 0.005 0.000 0.662 2009 A CB -0.374 18.629 19.000 0.005 0.000 0.812 2009 A HN 0.395 nan 8.150 nan 0.000 0.450 2010 L N -0.068 121.158 121.223 0.005 0.000 1.988 2010 L HA -0.029 4.300 4.340 -0.019 0.000 0.207 2010 L C 2.677 179.552 176.870 0.009 0.000 1.071 2010 L CA 2.261 57.104 54.840 0.006 0.000 0.744 2010 L CB -0.688 41.373 42.059 0.004 0.000 0.893 2010 L HN 0.293 nan 8.230 nan 0.000 0.433 2011 A N -0.284 122.541 122.820 0.007 0.000 1.940 2011 A HA -0.195 4.114 4.320 -0.019 0.000 0.219 2011 A C 2.448 180.037 177.584 0.009 0.000 1.176 2011 A CA 2.039 54.081 52.037 0.008 0.000 0.631 2011 A CB -1.324 17.680 19.000 0.006 0.000 0.814 2011 A HN 0.655 nan 8.150 nan 0.000 0.446 2012 A N -0.269 122.556 122.820 0.008 0.000 1.908 2012 A HA 0.108 4.417 4.320 -0.019 0.000 0.218 2012 A C 2.498 180.089 177.584 0.012 0.000 1.181 2012 A CA 2.288 54.330 52.037 0.008 0.000 0.627 2012 A CB -0.956 18.048 19.000 0.007 0.000 0.818 2012 A HN 1.080 nan 8.150 nan 0.000 0.445 2013 A N -0.917 121.912 122.820 0.015 0.000 1.897 2013 A HA 0.108 4.417 4.320 -0.019 0.000 0.215 2013 A C 2.036 179.638 177.584 0.031 0.000 1.181 2013 A CA 1.464 53.515 52.037 0.022 0.000 0.620 2013 A CB -0.535 18.478 19.000 0.021 0.000 0.821 2013 A HN 0.385 nan 8.150 nan 0.000 0.443 2014 L N 0.065 121.304 121.223 0.027 0.000 2.046 2014 L HA -0.088 4.241 4.340 -0.019 0.000 0.208 2014 L C 2.730 179.620 176.870 0.033 0.000 1.077 2014 L CA 1.877 56.737 54.840 0.033 0.000 0.747 2014 L CB -0.914 41.159 42.059 0.024 0.000 0.896 2014 L HN 0.416 nan 8.230 nan 0.000 0.432 2015 G N -1.363 107.449 108.800 0.021 0.000 2.421 2015 G HA2 -0.354 3.595 3.960 -0.019 0.000 0.216 2015 G HA3 -0.354 3.595 3.960 -0.019 0.000 0.216 2015 G C 1.495 176.402 174.900 0.011 0.000 1.171 2015 G CA 0.895 46.004 45.100 0.015 0.000 0.775 2015 G HN 0.431 nan 8.290 nan 0.000 0.543 2016 Q N 0.637 120.444 119.800 0.011 0.000 2.096 2016 Q HA -0.072 4.257 4.340 -0.019 0.000 0.204 2016 Q C 2.310 178.312 176.000 0.003 0.000 0.982 2016 Q CA 1.589 57.391 55.803 -0.001 0.000 0.850 2016 Q CB -0.491 28.250 28.738 0.006 0.000 0.901 2016 Q HN 0.539 nan 8.270 nan 0.000 0.422 2017 I N 0.385 120.990 120.570 0.059 0.000 2.179 2017 I HA -0.235 3.924 4.170 -0.019 0.000 0.242 2017 I C 2.335 178.536 176.117 0.140 0.000 1.088 2017 I CA 1.633 63.025 61.300 0.154 0.000 1.357 2017 I CB -0.359 37.747 38.000 0.176 0.000 1.051 2017 I HN 0.333 nan 8.210 nan 0.000 0.409 2018 E N 0.620 120.870 120.200 0.083 0.000 2.106 2018 E HA -0.235 4.104 4.350 -0.019 0.000 0.192 2018 E C 2.091 178.703 176.600 0.020 0.000 0.984 2018 E CA 0.851 57.292 56.400 0.069 0.000 0.806 2018 E CB -0.066 29.663 29.700 0.048 0.000 0.750 2018 E HN 0.381 nan 8.360 nan 0.000 0.458 2019 K N 0.679 121.069 120.400 -0.017 0.000 2.217 2019 K HA -0.117 4.192 4.320 -0.019 0.000 0.202 2019 K C 2.082 178.608 176.600 -0.123 0.000 1.051 2019 K CA 0.808 57.064 56.287 -0.052 0.000 0.952 2019 K CB 0.202 32.673 32.500 -0.047 0.000 0.736 2019 K HN 0.095 nan 8.250 nan 0.000 0.453 2020 Q N -1.135 118.534 119.800 -0.219 0.000 2.165 2020 Q HA -0.017 4.312 4.340 -0.019 0.000 0.197 2020 Q C 0.479 176.104 176.000 -0.624 0.000 0.952 2020 Q CA 0.917 56.405 55.803 -0.526 0.000 0.848 2020 Q CB 0.391 28.610 28.738 -0.865 0.000 0.931 2020 Q HN 0.222 nan 8.270 nan 0.000 0.470 2021 F N -0.346 119.609 119.950 0.009 0.000 2.735 2021 F HA 0.379 4.894 4.527 -0.019 0.000 0.304 2021 F C 0.751 176.559 175.800 0.014 0.000 1.119 2021 F CA 0.221 58.228 58.000 0.012 0.000 1.280 2021 F CB 0.977 39.985 39.000 0.013 0.000 0.994 2021 F HN 0.035 nan 8.300 nan 0.000 0.520 2022 G N 0.436 109.301 108.800 0.107 0.000 2.710 2022 G HA2 -0.204 3.745 3.960 -0.019 0.000 0.668 2022 G HA3 -0.204 3.745 3.960 -0.019 0.000 0.668 2022 G C 0.777 175.719 174.900 0.071 0.000 1.320 2022 G CA -0.598 44.548 45.100 0.077 0.000 0.860 2022 G HN -0.007 nan 8.290 nan 0.000 0.538 2023 K N 0.095 120.526 120.400 0.052 0.000 1.976 2023 K HA -0.187 4.122 4.320 -0.019 0.000 0.233 2023 K C 1.972 178.600 176.600 0.048 0.000 1.012 2023 K CA 2.168 58.481 56.287 0.042 0.000 1.049 2023 K CB -0.960 31.562 32.500 0.036 0.000 0.722 2023 K HN 1.506 nan 8.250 nan 0.000 0.465 2024 G N 0.985 109.816 108.800 0.050 0.000 4.420 2024 G HA2 0.202 4.150 3.960 -0.019 0.000 0.299 2024 G HA3 0.202 4.150 3.960 -0.019 0.000 0.299 2024 G C 0.890 175.824 174.900 0.056 0.000 1.343 2024 G CA 0.107 45.236 45.100 0.048 0.000 1.272 2024 G HN 0.326 nan 8.290 nan 0.000 0.610 2025 S N -0.070 115.674 115.700 0.074 0.000 2.402 2025 S HA 0.111 4.570 4.470 -0.019 0.000 0.229 2025 S C 0.810 175.440 174.600 0.050 0.000 1.021 2025 S CA 0.339 58.586 58.200 0.078 0.000 0.974 2025 S CB 0.327 63.614 63.200 0.145 0.000 0.800 2025 S HN 0.442 nan 8.310 nan 0.000 0.484 2026 I N 1.297 121.899 120.570 0.053 0.000 2.569 2026 I HA 0.598 4.757 4.170 -0.019 0.000 0.290 2026 I C -1.258 174.879 176.117 0.033 0.000 1.088 2026 I CA -1.304 60.018 61.300 0.036 0.000 1.047 2026 I CB 1.904 39.926 38.000 0.036 0.000 1.237 2026 I HN 0.386 nan 8.210 nan 0.000 0.421 2027 M N 4.349 123.965 119.600 0.026 0.000 2.880 2027 M HA 0.586 5.055 4.480 -0.019 0.000 0.269 2027 M C -1.278 175.032 176.300 0.016 0.000 1.248 2027 M CA -1.083 54.230 55.300 0.021 0.000 0.821 2027 M CB 1.468 34.081 32.600 0.020 0.000 1.650 2027 M HN 0.298 nan 8.290 nan 0.000 0.479 2028 R N 1.131 121.637 120.500 0.011 0.000 2.442 2028 R HA 0.301 4.629 4.340 -0.019 0.000 0.291 2028 R C 0.964 177.263 176.300 -0.000 0.000 1.069 2028 R CA -0.163 55.940 56.100 0.004 0.000 1.022 2028 R CB 0.364 30.664 30.300 0.001 0.000 0.976 2028 R HN 0.707 nan 8.270 nan 0.000 0.443 2029 L N 2.293 123.512 121.223 -0.008 0.000 2.043 2029 L HA -0.188 4.141 4.340 -0.019 0.000 0.212 2029 L C 1.796 178.655 176.870 -0.019 0.000 1.075 2029 L CA 2.199 57.027 54.840 -0.020 0.000 0.752 2029 L CB -0.497 41.535 42.059 -0.046 0.000 0.891 2029 L HN 0.993 nan 8.230 nan 0.000 0.432 2030 G N -0.335 108.454 108.800 -0.019 0.000 2.470 2030 G HA2 -0.257 3.692 3.960 -0.019 0.000 0.220 2030 G HA3 -0.257 3.692 3.960 -0.019 0.000 0.220 2030 G C 1.186 176.081 174.900 -0.008 0.000 1.121 2030 G CA 0.857 45.947 45.100 -0.016 0.000 0.766 2030 G HN 0.724 nan 8.290 nan 0.000 0.553 2031 E N -0.307 119.890 120.200 -0.004 0.000 2.498 2031 E HA 0.087 4.426 4.350 -0.019 0.000 0.203 2031 E C -0.303 176.300 176.600 0.004 0.000 1.013 2031 E CA -0.439 55.961 56.400 0.001 0.000 0.927 2031 E CB 0.235 29.936 29.700 0.002 0.000 1.012 2031 E HN 0.134 nan 8.360 nan 0.000 0.482 2032 D N 1.809 122.211 120.400 0.004 0.000 2.344 2032 D HA 0.042 4.671 4.640 -0.019 0.000 0.253 2032 D C 0.728 177.034 176.300 0.010 0.000 1.255 2032 D CA -0.134 53.872 54.000 0.010 0.000 0.894 2032 D CB 0.795 41.602 40.800 0.011 0.000 1.067 2032 D HN -0.058 nan 8.370 nan 0.000 0.492 2033 R N 1.693 122.200 120.500 0.013 0.000 2.090 2033 R HA -0.080 4.249 4.340 -0.019 0.000 0.228 2033 R C 1.923 178.233 176.300 0.016 0.000 1.110 2033 R CA 0.780 56.887 56.100 0.012 0.000 0.973 2033 R CB -0.929 29.378 30.300 0.012 0.000 0.869 2033 R HN 0.489 nan 8.270 nan 0.000 0.440 2034 S N -0.373 115.341 115.700 0.023 0.000 2.595 2034 S HA -0.068 4.391 4.470 -0.019 0.000 0.235 2034 S C 1.656 176.277 174.600 0.035 0.000 0.974 2034 S CA 0.635 58.854 58.200 0.031 0.000 0.942 2034 S CB -0.042 63.182 63.200 0.040 0.000 0.766 2034 S HN 0.090 nan 8.310 nan 0.000 0.536 2035 M N 1.644 121.259 119.600 0.025 0.000 2.465 2035 M HA 0.292 4.761 4.480 -0.019 0.000 0.249 2035 M C -0.678 175.631 176.300 0.015 0.000 1.130 2035 M CA 0.129 55.443 55.300 0.022 0.000 1.067 2035 M CB 0.197 32.802 32.600 0.008 0.000 1.394 2035 M HN 0.025 nan 8.290 nan 0.000 0.483 2036 D N 0.889 121.297 120.400 0.013 0.000 2.425 2036 D HA 0.079 4.708 4.640 -0.019 0.000 0.247 2036 D C -0.441 175.865 176.300 0.011 0.000 1.147 2036 D CA 0.174 54.180 54.000 0.010 0.000 0.879 2036 D CB 1.068 41.873 40.800 0.008 0.000 1.179 2036 D HN -0.104 nan 8.370 nan 0.000 0.456 2037 V N 2.959 122.878 119.914 0.008 0.000 2.455 2037 V HA 0.079 4.188 4.120 -0.019 0.000 0.273 2037 V C 0.622 176.718 176.094 0.003 0.000 1.045 2037 V CA -0.015 62.289 62.300 0.006 0.000 0.976 2037 V CB 0.925 32.748 31.823 0.000 0.000 0.993 2037 V HN 0.440 nan 8.190 nan 0.000 0.475 2038 E N 3.677 123.878 120.200 0.002 0.000 2.199 2038 E HA 0.584 4.923 4.350 -0.019 0.000 0.269 2038 E C -0.589 176.008 176.600 -0.006 0.000 0.899 2038 E CA -0.499 55.900 56.400 -0.001 0.000 0.772 2038 E CB 2.143 31.843 29.700 -0.000 0.000 1.155 2038 E HN 0.797 nan 8.360 nan 0.000 0.408 2039 T N 1.150 115.699 114.554 -0.009 0.000 2.942 2039 T HA 0.618 4.957 4.350 -0.019 0.000 0.289 2039 T C -0.197 174.492 174.700 -0.019 0.000 1.044 2039 T CA -0.860 61.232 62.100 -0.014 0.000 1.023 2039 T CB 1.092 69.951 68.868 -0.014 0.000 1.123 2039 T HN 0.279 nan 8.240 nan 0.000 0.512 2040 I N 1.765 122.320 120.570 -0.024 0.000 2.509 2040 I HA 0.412 4.571 4.170 -0.019 0.000 0.293 2040 I C 0.737 176.832 176.117 -0.037 0.000 1.020 2040 I CA -0.716 60.564 61.300 -0.032 0.000 1.088 2040 I CB 1.794 39.773 38.000 -0.034 0.000 1.267 2040 I HN 0.958 nan 8.210 nan 0.000 0.430 2041 S N 2.875 118.545 115.700 -0.049 0.000 2.568 2041 S HA 0.059 4.518 4.470 -0.019 0.000 0.282 2041 S C 1.351 175.913 174.600 -0.064 0.000 1.338 2041 S CA 0.374 58.541 58.200 -0.056 0.000 1.045 2041 S CB 0.428 63.574 63.200 -0.090 0.000 0.873 2041 S HN 0.796 nan 8.310 nan 0.000 0.516 2042 T N 1.430 115.950 114.554 -0.056 0.000 3.081 2042 T HA 0.356 4.695 4.350 -0.019 0.000 0.255 2042 T C 1.521 176.160 174.700 -0.102 0.000 1.113 2042 T CA 0.660 62.721 62.100 -0.065 0.000 1.082 2042 T CB -0.315 68.521 68.868 -0.053 0.000 0.939 2042 T HN 1.615 nan 8.240 nan 0.000 0.506 2043 G N 0.822 109.550 108.800 -0.120 0.000 2.234 2043 G HA2 -0.236 3.713 3.960 -0.019 0.000 0.235 2043 G HA3 -0.236 3.713 3.960 -0.019 0.000 0.235 2043 G C 0.239 175.088 174.900 -0.086 0.000 0.997 2043 G CA 0.182 45.182 45.100 -0.166 0.000 0.623 2043 G HN 1.060 nan 8.290 nan 0.000 0.514 2044 S N 0.042 115.658 115.700 -0.140 0.000 2.437 2044 S HA 0.632 5.091 4.470 -0.019 0.000 0.305 2044 S C 1.235 175.821 174.600 -0.024 0.000 1.109 2044 S CA 0.106 58.179 58.200 -0.213 0.000 1.099 2044 S CB 1.546 64.333 63.200 -0.687 0.000 1.004 2044 S HN 1.041 nan 8.310 nan 0.000 0.475 2045 L N 5.806 127.000 121.223 -0.048 0.000 2.027 2045 L HA 0.029 4.358 4.340 -0.019 0.000 0.206 2045 L C 2.564 179.395 176.870 -0.066 0.000 1.074 2045 L CA 2.692 57.482 54.840 -0.083 0.000 0.745 2045 L CB -1.010 40.770 42.059 -0.465 0.000 0.898 2045 L HN 0.901 nan 8.230 nan 0.000 0.433 2046 S N -1.077 114.581 115.700 -0.070 0.000 2.423 2046 S HA -0.188 4.271 4.470 -0.019 0.000 0.231 2046 S C 2.096 176.723 174.600 0.043 0.000 1.014 2046 S CA 1.319 59.522 58.200 0.005 0.000 0.965 2046 S CB -0.949 62.284 63.200 0.055 0.000 0.785 2046 S HN 0.513 nan 8.310 nan 0.000 0.495 2047 L N 1.367 122.617 121.223 0.044 0.000 2.044 2047 L HA -0.091 4.238 4.340 -0.019 0.000 0.205 2047 L C 1.972 178.852 176.870 0.017 0.000 1.075 2047 L CA 1.890 56.762 54.840 0.053 0.000 0.747 2047 L CB -0.605 41.481 42.059 0.046 0.000 0.903 2047 L HN 0.238 nan 8.230 nan 0.000 0.435 2048 D N 0.136 120.538 120.400 0.005 0.000 2.182 2048 D HA -0.202 4.427 4.640 -0.019 0.000 0.201 2048 D C 2.137 178.441 176.300 0.005 0.000 0.986 2048 D CA 1.362 55.365 54.000 0.005 0.000 0.847 2048 D CB -0.051 40.761 40.800 0.020 0.000 0.942 2048 D HN 0.396 nan 8.370 nan 0.000 0.467 2049 I N 0.968 121.542 120.570 0.008 0.000 2.233 2049 I HA -0.195 3.964 4.170 -0.019 0.000 0.243 2049 I C 2.513 178.635 176.117 0.009 0.000 1.093 2049 I CA 0.931 62.236 61.300 0.009 0.000 1.380 2049 I CB -0.240 37.765 38.000 0.008 0.000 1.067 2049 I HN -0.096 nan 8.210 nan 0.000 0.413 2050 A N 0.792 123.621 122.820 0.015 0.000 1.940 2050 A HA -0.182 4.127 4.320 -0.019 0.000 0.219 2050 A C 2.261 179.838 177.584 -0.012 0.000 1.176 2050 A CA 1.523 53.568 52.037 0.012 0.000 0.631 2050 A CB -0.967 18.049 19.000 0.026 0.000 0.814 2050 A HN 0.424 nan 8.150 nan 0.000 0.446 2051 L N -1.573 119.640 121.223 -0.017 0.000 2.456 2051 L HA 0.029 4.357 4.340 -0.019 0.000 0.224 2051 L C 2.152 178.996 176.870 -0.044 0.000 1.148 2051 L CA 0.661 55.477 54.840 -0.039 0.000 0.825 2051 L CB -0.336 41.704 42.059 -0.031 0.000 0.937 2051 L HN 0.658 nan 8.230 nan 0.000 0.450 2052 G N -0.240 108.545 108.800 -0.025 0.000 2.990 2052 G HA2 -0.435 3.514 3.960 -0.019 0.000 0.225 2052 G HA3 -0.435 3.514 3.960 -0.019 0.000 0.225 2052 G C 1.023 175.915 174.900 -0.013 0.000 1.304 2052 G CA 0.437 45.525 45.100 -0.020 0.000 0.816 2052 G HN 0.460 nan 8.290 nan 0.000 0.528 2053 A N 0.636 123.443 122.820 -0.022 0.000 2.275 2053 A HA 0.585 4.894 4.320 -0.019 0.000 0.212 2053 A C 2.421 180.000 177.584 -0.008 0.000 1.201 2053 A CA 1.748 53.776 52.037 -0.015 0.000 0.843 2053 A CB -0.528 18.458 19.000 -0.023 0.000 0.873 2053 A HN 2.627 nan 8.150 nan 0.000 0.492 2054 G N -2.605 106.191 108.800 -0.007 0.000 2.141 2054 G HA2 0.282 4.231 3.960 -0.019 0.000 0.242 2054 G HA3 0.282 4.231 3.960 -0.019 0.000 0.242 2054 G C 0.874 175.771 174.900 -0.005 0.000 0.982 2054 G CA 0.337 45.437 45.100 -0.000 0.000 0.662 2054 G HN 2.204 nan 8.290 nan 0.000 0.527 2055 G N -1.595 107.197 108.800 -0.013 0.000 2.341 2055 G HA2 0.502 4.451 3.960 -0.019 0.000 0.293 2055 G HA3 0.502 4.451 3.960 -0.019 0.000 0.293 2055 G C -0.680 174.207 174.900 -0.023 0.000 1.298 2055 G CA -0.494 44.595 45.100 -0.018 0.000 0.868 2055 G HN 0.889 nan 8.290 nan 0.000 0.540 2056 L N 1.773 122.982 121.223 -0.024 0.000 2.397 2056 L HA 0.426 4.755 4.340 -0.019 0.000 0.271 2056 L C -1.791 175.068 176.870 -0.019 0.000 1.148 2056 L CA -1.606 53.221 54.840 -0.022 0.000 0.825 2056 L CB 1.310 43.357 42.059 -0.021 0.000 1.117 2056 L HN 0.316 nan 8.230 nan 0.000 0.456 2057 P HA 0.200 nan 4.420 nan 0.000 0.290 2057 P C -0.804 176.494 177.300 -0.003 0.000 1.276 2057 P CA -0.599 62.496 63.100 -0.009 0.000 0.808 2057 P CB 0.983 32.678 31.700 -0.008 0.000 0.966 2058 M N 1.776 121.375 119.600 -0.003 0.000 2.238 2058 M HA 0.245 4.714 4.480 -0.019 0.000 0.347 2058 M C 1.571 177.877 176.300 0.009 0.000 1.173 2058 M CA 0.730 56.029 55.300 -0.001 0.000 1.147 2058 M CB -0.576 32.022 32.600 -0.003 0.000 1.547 2058 M HN 0.843 nan 8.290 nan 0.000 0.455 2059 G N 2.366 111.171 108.800 0.007 0.000 2.162 2059 G HA2 -0.204 3.745 3.960 -0.019 0.000 0.260 2059 G HA3 -0.204 3.745 3.960 -0.019 0.000 0.260 2059 G C 0.184 175.104 174.900 0.033 0.000 0.976 2059 G CA -0.048 45.062 45.100 0.017 0.000 0.655 2059 G HN 0.546 nan 8.290 nan 0.000 0.533 2060 R N -0.684 119.836 120.500 0.033 0.000 2.902 2060 R HA 0.773 5.102 4.340 -0.019 0.000 0.258 2060 R C 0.200 176.536 176.300 0.060 0.000 1.071 2060 R CA -1.170 54.963 56.100 0.056 0.000 1.024 2060 R CB 0.822 31.150 30.300 0.046 0.000 1.184 2060 R HN 0.219 nan 8.270 nan 0.000 0.492 2061 I N 0.719 121.352 120.570 0.106 0.000 2.392 2061 I HA 0.361 4.520 4.170 -0.019 0.000 0.295 2061 I C -0.243 175.953 176.117 0.131 0.000 0.985 2061 I CA -0.829 60.558 61.300 0.145 0.000 1.221 2061 I CB 1.753 39.897 38.000 0.239 0.000 1.366 2061 I HN -0.034 nan 8.210 nan 0.000 0.467 2062 V N 5.327 125.318 119.914 0.128 0.000 2.789 2062 V HA 0.394 4.503 4.120 -0.019 0.000 0.311 2062 V C -0.507 175.679 176.094 0.153 0.000 1.073 2062 V CA -0.648 61.710 62.300 0.097 0.000 0.921 2062 V CB 2.149 33.994 31.823 0.037 0.000 1.009 2062 V HN 0.742 nan 8.190 nan 0.000 0.426 2063 E N 3.689 123.969 120.200 0.132 0.000 2.210 2063 E HA 0.644 4.983 4.350 -0.019 0.000 0.266 2063 E C -1.648 175.010 176.600 0.096 0.000 0.883 2063 E CA -0.631 55.867 56.400 0.164 0.000 0.761 2063 E CB 1.783 31.593 29.700 0.183 0.000 1.156 2063 E HN 0.633 nan 8.360 nan 0.000 0.412 2064 I N 5.410 126.036 120.570 0.093 0.000 2.389 2064 I HA 0.328 4.487 4.170 -0.019 0.000 0.288 2064 I C -0.851 175.322 176.117 0.093 0.000 0.999 2064 I CA -0.904 60.407 61.300 0.018 0.000 1.129 2064 I CB 0.750 38.767 38.000 0.028 0.000 1.288 2064 I HN 0.468 nan 8.210 nan 0.000 0.444 2065 Y N 4.132 124.464 120.300 0.053 0.000 2.602 2065 Y HA 1.017 5.556 4.550 -0.019 0.000 0.342 2065 Y C -0.091 175.855 175.900 0.077 0.000 1.029 2065 Y CA -1.338 56.792 58.100 0.051 0.000 1.080 2065 Y CB 1.780 40.254 38.460 0.023 0.000 1.284 2065 Y HN 0.680 nan 8.280 nan 0.000 0.485 2066 G N 0.343 109.361 108.800 0.364 0.000 2.313 2066 G HA2 0.441 4.390 3.960 -0.019 0.000 0.296 2066 G HA3 0.441 4.390 3.960 -0.019 0.000 0.296 2066 G C -3.556 171.567 174.900 0.370 0.000 1.356 2066 G CA -1.313 43.964 45.100 0.295 0.000 0.833 2066 G HN 0.507 nan 8.290 nan 0.000 0.552 2067 P HA 0.320 nan 4.420 nan 0.000 0.274 2067 P C -0.306 177.025 177.300 0.052 0.000 1.260 2067 P CA -0.311 62.921 63.100 0.219 0.000 0.793 2067 P CB 0.264 32.010 31.700 0.076 0.000 1.048 2068 E N -0.589 119.273 120.200 -0.564 0.000 2.413 2068 E HA 0.163 4.502 4.350 -0.019 0.000 0.263 2068 E C 0.100 176.607 176.600 -0.155 0.000 1.015 2068 E CA -0.116 55.951 56.400 -0.556 0.000 0.916 2068 E CB -0.702 28.479 29.700 -0.865 0.000 0.947 2068 E HN 0.277 nan 8.360 nan 0.000 0.440 2069 S N 0.594 116.264 115.700 -0.050 0.000 3.533 2069 S HA -0.225 4.234 4.470 -0.019 0.000 0.347 2069 S C 0.962 175.606 174.600 0.074 0.000 1.101 2069 S CA 0.974 59.179 58.200 0.009 0.000 1.009 2069 S CB -1.757 61.423 63.200 -0.033 0.000 0.916 2069 S HN 0.728 nan 8.310 nan 0.000 0.496 2070 S N -0.386 115.368 115.700 0.090 0.000 2.478 2070 S HA 0.436 4.895 4.470 -0.019 0.000 0.222 2070 S C 1.555 176.227 174.600 0.122 0.000 1.008 2070 S CA 0.795 59.055 58.200 0.100 0.000 0.928 2070 S CB 0.527 63.785 63.200 0.097 0.000 0.781 2070 S HN 1.911 nan 8.310 nan 0.000 0.518 2071 G N 1.138 110.025 108.800 0.144 0.000 2.173 2071 G HA2 -0.156 3.793 3.960 -0.019 0.000 0.142 2071 G HA3 -0.156 3.793 3.960 -0.019 0.000 0.142 2071 G C 0.613 175.615 174.900 0.171 0.000 1.019 2071 G CA 0.072 45.278 45.100 0.177 0.000 0.699 2071 G HN 0.414 nan 8.290 nan 0.000 0.495 2072 K N 0.077 120.569 120.400 0.153 0.000 1.991 2072 K HA -0.074 4.235 4.320 -0.019 0.000 0.212 2072 K C 2.555 179.246 176.600 0.152 0.000 1.049 2072 K CA 2.030 58.402 56.287 0.141 0.000 0.932 2072 K CB -0.398 32.186 32.500 0.141 0.000 0.717 2072 K HN 0.298 nan 8.250 nan 0.000 0.441 2073 T N 0.844 115.501 114.554 0.172 0.000 2.708 2073 T HA -0.142 4.197 4.350 -0.019 0.000 0.266 2073 T C 2.050 176.866 174.700 0.193 0.000 1.037 2073 T CA 1.863 64.090 62.100 0.211 0.000 1.146 2073 T CB -0.550 68.446 68.868 0.214 0.000 0.865 2073 T HN 0.261 nan 8.240 nan 0.000 0.435 2074 T N 2.371 117.044 114.554 0.197 0.000 2.624 2074 T HA -0.111 4.228 4.350 -0.019 0.000 0.268 2074 T C 1.932 176.708 174.700 0.128 0.000 1.041 2074 T CA 1.362 63.578 62.100 0.192 0.000 1.159 2074 T CB -0.633 68.386 68.868 0.252 0.000 0.863 2074 T HN 0.198 nan 8.240 nan 0.000 0.434 2075 L N 0.293 121.598 121.223 0.138 0.000 1.989 2075 L HA -0.174 4.155 4.340 -0.019 0.000 0.211 2075 L C 2.715 179.624 176.870 0.064 0.000 1.071 2075 L CA 1.785 56.681 54.840 0.094 0.000 0.749 2075 L CB -0.885 41.250 42.059 0.126 0.000 0.890 2075 L HN 0.244 nan 8.230 nan 0.000 0.431 2076 T N 0.142 114.754 114.554 0.096 0.000 2.620 2076 T HA -0.296 4.043 4.350 -0.019 0.000 0.267 2076 T C 1.801 176.561 174.700 0.101 0.000 1.044 2076 T CA 2.334 64.497 62.100 0.104 0.000 1.161 2076 T CB -0.414 68.555 68.868 0.168 0.000 0.862 2076 T HN 0.308 nan 8.240 nan 0.000 0.438 2077 L N 0.712 121.996 121.223 0.102 0.000 2.083 2077 L HA -0.129 4.200 4.340 -0.019 0.000 0.209 2077 L C 3.027 179.886 176.870 -0.019 0.000 1.083 2077 L CA 1.095 55.953 54.840 0.031 0.000 0.752 2077 L CB -0.550 41.495 42.059 -0.024 0.000 0.899 2077 L HN 0.250 nan 8.230 nan 0.000 0.433 2078 Q N -0.319 119.466 119.800 -0.025 0.000 2.084 2078 Q HA -0.193 4.136 4.340 -0.019 0.000 0.202 2078 Q C 2.469 178.424 176.000 -0.074 0.000 0.978 2078 Q CA 1.988 57.751 55.803 -0.067 0.000 0.844 2078 Q CB -0.696 27.996 28.738 -0.077 0.000 0.898 2078 Q HN 0.581 nan 8.270 nan 0.000 0.426 2079 V N -0.704 119.182 119.914 -0.046 0.000 2.358 2079 V HA -0.198 3.911 4.120 -0.019 0.000 0.246 2079 V C 2.119 178.187 176.094 -0.043 0.000 1.047 2079 V CA 1.209 63.480 62.300 -0.049 0.000 1.035 2079 V CB -0.537 31.267 31.823 -0.033 0.000 0.658 2079 V HN 0.222 nan 8.190 nan 0.000 0.452 2080 I N 1.172 121.730 120.570 -0.019 0.000 2.127 2080 I HA -0.215 3.944 4.170 -0.019 0.000 0.241 2080 I C 3.010 179.100 176.117 -0.044 0.000 1.075 2080 I CA 1.927 63.218 61.300 -0.015 0.000 1.334 2080 I CB -0.836 37.176 38.000 0.021 0.000 1.040 2080 I HN 0.438 nan 8.210 nan 0.000 0.405 2081 A N 0.742 123.525 122.820 -0.061 0.000 1.892 2081 A HA -0.276 4.033 4.320 -0.019 0.000 0.218 2081 A C 2.529 180.057 177.584 -0.093 0.000 1.188 2081 A CA 2.333 54.321 52.037 -0.082 0.000 0.631 2081 A CB -1.045 17.895 19.000 -0.100 0.000 0.822 2081 A HN 0.476 nan 8.150 nan 0.000 0.447 2082 A N -0.452 122.303 122.820 -0.108 0.000 1.902 2082 A HA 0.166 4.475 4.320 -0.019 0.000 0.217 2082 A C 2.511 180.039 177.584 -0.093 0.000 1.181 2082 A CA 2.180 54.142 52.037 -0.126 0.000 0.623 2082 A CB -1.001 17.909 19.000 -0.149 0.000 0.818 2082 A HN 1.125 nan 8.150 nan 0.000 0.443 2083 A N -0.808 121.970 122.820 -0.071 0.000 1.898 2083 A HA -0.186 4.123 4.320 -0.019 0.000 0.216 2083 A C 2.119 179.674 177.584 -0.049 0.000 1.181 2083 A CA 1.572 53.577 52.037 -0.054 0.000 0.620 2083 A CB -0.528 18.447 19.000 -0.042 0.000 0.819 2083 A HN 0.646 nan 8.150 nan 0.000 0.442 2084 Q N -1.187 118.583 119.800 -0.049 0.000 2.119 2084 Q HA -0.145 4.184 4.340 -0.019 0.000 0.201 2084 Q C 2.222 178.192 176.000 -0.049 0.000 0.972 2084 Q CA 1.339 57.115 55.803 -0.044 0.000 0.847 2084 Q CB -0.136 28.576 28.738 -0.044 0.000 0.903 2084 Q HN 0.540 nan 8.270 nan 0.000 0.433 2085 R N 1.096 121.559 120.500 -0.062 0.000 2.249 2085 R HA -0.125 4.204 4.340 -0.019 0.000 0.230 2085 R C 0.443 176.709 176.300 -0.057 0.000 1.121 2085 R CA 1.053 57.113 56.100 -0.066 0.000 0.997 2085 R CB 0.206 30.453 30.300 -0.089 0.000 0.867 2085 R HN 0.247 nan 8.270 nan 0.000 0.465 2086 E N -1.648 118.520 120.200 -0.052 0.000 2.685 2086 E HA 0.197 4.536 4.350 -0.019 0.000 0.208 2086 E C 0.139 176.720 176.600 -0.033 0.000 0.996 2086 E CA 0.268 56.643 56.400 -0.042 0.000 1.054 2086 E CB 1.123 30.796 29.700 -0.045 0.000 1.075 2086 E HN 0.391 nan 8.360 nan 0.000 0.460 2087 G N 2.248 111.029 108.800 -0.032 0.000 2.160 2087 G HA2 -0.325 3.624 3.960 -0.019 0.000 0.251 2087 G HA3 -0.325 3.624 3.960 -0.019 0.000 0.251 2087 G C 0.077 174.963 174.900 -0.023 0.000 1.008 2087 G CA 0.311 45.395 45.100 -0.025 0.000 0.724 2087 G HN 0.158 nan 8.290 nan 0.000 0.514 2088 K N 0.408 120.792 120.400 -0.026 0.000 2.118 2088 K HA 0.509 4.818 4.320 -0.019 0.000 0.267 2088 K C 0.117 176.704 176.600 -0.020 0.000 0.991 2088 K CA -0.284 55.990 56.287 -0.023 0.000 0.916 2088 K CB 1.007 33.492 32.500 -0.026 0.000 1.041 2088 K HN 0.114 nan 8.250 nan 0.000 0.455 2089 T N 1.708 116.252 114.554 -0.017 0.000 2.799 2089 T HA 0.299 4.638 4.350 -0.019 0.000 0.286 2089 T C -0.296 174.397 174.700 -0.013 0.000 0.973 2089 T CA -0.515 61.577 62.100 -0.013 0.000 1.035 2089 T CB 0.273 69.135 68.868 -0.011 0.000 0.932 2089 T HN 0.534 nan 8.240 nan 0.000 0.469 2090 C N 2.362 121.658 119.300 -0.007 0.000 2.634 2090 C HA 0.949 5.398 4.460 -0.019 0.000 0.313 2090 C C 0.331 175.330 174.990 0.015 0.000 1.198 2090 C CA -0.999 58.020 59.018 0.000 0.000 1.605 2090 C CB 0.929 28.674 27.740 0.009 0.000 2.196 2090 C HN 1.050 nan 8.230 nan 0.000 0.486 2091 A N 1.372 124.200 122.820 0.014 0.000 2.386 2091 A HA 0.867 5.176 4.320 -0.019 0.000 0.311 2091 A C -1.412 176.208 177.584 0.060 0.000 1.068 2091 A CA -0.264 51.789 52.037 0.027 0.000 0.743 2091 A CB 0.969 19.959 19.000 -0.016 0.000 1.258 2091 A HN 0.834 nan 8.150 nan 0.000 0.429 2092 F N 3.457 123.368 119.950 -0.066 0.000 2.460 2092 F HA 0.568 5.084 4.527 -0.018 0.000 0.341 2092 F C -0.730 175.021 175.800 -0.081 0.000 1.130 2092 F CA -0.874 57.083 58.000 -0.072 0.000 0.962 2092 F CB 1.292 40.259 39.000 -0.055 0.000 1.171 2092 F HN 0.378 nan 8.300 nan 0.000 0.436 2093 I N 4.905 125.245 120.570 -0.384 0.000 2.307 2093 I HA 0.132 4.291 4.170 -0.019 0.000 0.287 2093 I C -0.240 175.701 176.117 -0.294 0.000 1.054 2093 I CA -0.348 60.802 61.300 -0.250 0.000 1.218 2093 I CB 0.611 38.465 38.000 -0.243 0.000 1.398 2093 I HN 0.514 nan 8.210 nan 0.000 0.475 2094 D N 5.342 125.714 120.400 -0.047 0.000 2.631 2094 D HA 0.365 4.994 4.640 -0.019 0.000 0.227 2094 D C 1.242 177.432 176.300 -0.183 0.000 1.146 2094 D CA -0.098 53.921 54.000 0.033 0.000 1.009 2094 D CB 0.836 41.760 40.800 0.208 0.000 1.057 2094 D HN 0.595 nan 8.370 nan 0.000 0.509 2095 A N 2.297 125.039 122.820 -0.130 0.000 2.067 2095 A HA -0.105 4.204 4.320 -0.019 0.000 0.219 2095 A C 1.901 179.557 177.584 0.121 0.000 1.158 2095 A CA 0.752 52.758 52.037 -0.052 0.000 0.661 2095 A CB -0.206 18.793 19.000 -0.001 0.000 0.801 2095 A HN 0.525 nan 8.150 nan 0.000 0.452 2096 E N -1.127 119.119 120.200 0.076 0.000 2.435 2096 E HA -0.070 4.269 4.350 -0.019 0.000 0.195 2096 E C -0.499 176.254 176.600 0.255 0.000 1.029 2096 E CA -0.004 56.476 56.400 0.132 0.000 0.865 2096 E CB -0.112 29.598 29.700 0.016 0.000 0.833 2096 E HN 0.685 nan 8.360 nan 0.000 0.510 2097 H N -1.978 117.155 119.070 0.104 0.000 2.756 2097 H HA -0.205 4.340 4.556 -0.019 0.000 0.315 2097 H C 0.000 175.382 175.328 0.089 0.000 1.210 2097 H CA 0.621 56.729 56.048 0.100 0.000 1.150 2097 H CB -1.396 28.424 29.762 0.098 0.000 1.463 2097 H HN 0.267 nan 8.280 nan 0.000 0.427 2098 A N 0.289 123.195 122.820 0.144 0.000 2.704 2098 A HA 0.223 4.532 4.320 -0.019 0.000 0.260 2098 A C 0.443 178.063 177.584 0.060 0.000 1.144 2098 A CA -0.379 51.718 52.037 0.101 0.000 0.985 2098 A CB 0.732 19.787 19.000 0.091 0.000 1.256 2098 A HN 0.139 nan 8.150 nan 0.000 0.598 2099 L N 1.387 122.640 121.223 0.050 0.000 2.462 2099 L HA 0.414 4.743 4.340 -0.019 0.000 0.272 2099 L C -0.543 176.308 176.870 -0.032 0.000 1.166 2099 L CA 0.258 55.079 54.840 -0.032 0.000 0.880 2099 L CB 0.529 42.497 42.059 -0.151 0.000 1.142 2099 L HN 0.220 nan 8.230 nan 0.000 0.473 2100 D N 7.219 127.608 120.400 -0.019 0.000 2.412 2100 D HA 0.331 4.960 4.640 -0.019 0.000 0.224 2100 D C -1.818 174.487 176.300 0.008 0.000 1.093 2100 D CA -2.240 51.766 54.000 0.009 0.000 0.850 2100 D CB 1.544 42.362 40.800 0.030 0.000 1.046 2100 D HN 0.347 nan 8.370 nan 0.000 0.507 2101 P HA -0.166 nan 4.420 nan 0.000 0.215 2101 P C 1.661 178.951 177.300 -0.016 0.000 1.153 2101 P CA 0.680 63.754 63.100 -0.043 0.000 0.853 2101 P CB 0.525 32.204 31.700 -0.034 0.000 0.788 2102 I N -1.735 118.845 120.570 0.017 0.000 2.286 2102 I HA -0.239 3.920 4.170 -0.019 0.000 0.248 2102 I C 2.671 178.826 176.117 0.063 0.000 1.115 2102 I CA 1.412 62.731 61.300 0.031 0.000 1.392 2102 I CB -1.087 36.937 38.000 0.040 0.000 1.065 2102 I HN -0.133 nan 8.210 nan 0.000 0.418 2103 Y N 1.001 121.277 120.300 -0.040 0.000 2.263 2103 Y HA -0.128 4.411 4.550 -0.018 0.000 0.292 2103 Y C 2.437 178.311 175.900 -0.044 0.000 1.130 2103 Y CA 1.080 59.161 58.100 -0.032 0.000 1.179 2103 Y CB -0.486 37.956 38.460 -0.029 0.000 0.998 2103 Y HN 0.121 nan 8.280 nan 0.000 0.532 2104 A N 0.793 123.573 122.820 -0.065 0.000 1.908 2104 A HA -0.231 4.078 4.320 -0.019 0.000 0.218 2104 A C 2.432 179.911 177.584 -0.175 0.000 1.181 2104 A CA 1.843 53.781 52.037 -0.165 0.000 0.627 2104 A CB -0.781 18.123 19.000 -0.160 0.000 0.818 2104 A HN 0.474 nan 8.150 nan 0.000 0.445 2105 R N -0.132 120.295 120.500 -0.121 0.000 2.081 2105 R HA -0.133 4.195 4.340 -0.019 0.000 0.235 2105 R C 2.083 178.308 176.300 -0.125 0.000 1.131 2105 R CA 1.875 57.914 56.100 -0.101 0.000 0.960 2105 R CB -0.310 29.953 30.300 -0.061 0.000 0.856 2105 R HN 0.544 nan 8.270 nan 0.000 0.436 2106 K N 0.260 120.568 120.400 -0.154 0.000 2.152 2106 K HA -0.093 4.216 4.320 -0.019 0.000 0.206 2106 K C 1.860 178.326 176.600 -0.224 0.000 1.048 2106 K CA 1.162 57.348 56.287 -0.169 0.000 0.933 2106 K CB -0.062 32.337 32.500 -0.170 0.000 0.721 2106 K HN 0.234 nan 8.250 nan 0.000 0.447 2107 L N -0.484 120.546 121.223 -0.322 0.000 2.599 2107 L HA 0.070 4.399 4.340 -0.019 0.000 0.230 2107 L C 0.990 177.761 176.870 -0.166 0.000 1.141 2107 L CA 0.449 55.129 54.840 -0.266 0.000 0.877 2107 L CB -0.106 41.760 42.059 -0.321 0.000 1.009 2107 L HN 0.459 nan 8.230 nan 0.000 0.447 2108 G N 0.106 108.822 108.800 -0.140 0.000 2.131 2108 G HA2 -0.225 3.724 3.960 -0.019 0.000 0.223 2108 G HA3 -0.225 3.724 3.960 -0.019 0.000 0.223 2108 G C 0.111 174.952 174.900 -0.099 0.000 0.990 2108 G CA -0.130 44.906 45.100 -0.105 0.000 0.671 2108 G HN 0.089 nan 8.290 nan 0.000 0.521 2109 V N 1.091 120.940 119.914 -0.107 0.000 2.530 2109 V HA 0.367 4.476 4.120 -0.019 0.000 0.282 2109 V C 0.675 176.723 176.094 -0.076 0.000 1.048 2109 V CA -0.118 62.127 62.300 -0.092 0.000 0.997 2109 V CB 1.682 33.441 31.823 -0.106 0.000 0.987 2109 V HN 0.371 nan 8.190 nan 0.000 0.477 2110 D N 4.628 124.991 120.400 -0.061 0.000 2.416 2110 D HA 0.089 4.718 4.640 -0.019 0.000 0.240 2110 D C 1.076 177.348 176.300 -0.047 0.000 1.250 2110 D CA -0.271 53.700 54.000 -0.049 0.000 0.967 2110 D CB 0.468 41.243 40.800 -0.041 0.000 1.059 2110 D HN 0.283 nan 8.370 nan 0.000 0.512 2111 I N 2.627 123.167 120.570 -0.050 0.000 2.208 2111 I HA -0.218 3.941 4.170 -0.019 0.000 0.245 2111 I C 1.500 177.596 176.117 -0.034 0.000 1.097 2111 I CA 1.009 62.279 61.300 -0.049 0.000 1.363 2111 I CB -0.656 37.315 38.000 -0.048 0.000 1.051 2111 I HN 0.401 nan 8.210 nan 0.000 0.413 2112 D N 0.668 121.052 120.400 -0.028 0.000 2.310 2112 D HA -0.110 4.519 4.640 -0.019 0.000 0.212 2112 D C 1.436 177.727 176.300 -0.016 0.000 0.965 2112 D CA 0.759 54.748 54.000 -0.019 0.000 0.879 2112 D CB -0.088 40.702 40.800 -0.017 0.000 0.921 2112 D HN 0.403 nan 8.370 nan 0.000 0.510 2113 N N -0.136 118.553 118.700 -0.019 0.000 2.181 2113 N HA 0.025 4.754 4.740 -0.019 0.000 0.207 2113 N C 0.282 175.785 175.510 -0.011 0.000 1.182 2113 N CA -0.215 52.827 53.050 -0.014 0.000 0.893 2113 N CB 1.334 39.811 38.487 -0.016 0.000 1.032 2113 N HN 0.150 nan 8.380 nan 0.000 0.513 2114 L N 2.852 124.066 121.223 -0.015 0.000 2.407 2114 L HA 0.256 4.585 4.340 -0.019 0.000 0.282 2114 L C -0.201 176.674 176.870 0.009 0.000 1.110 2114 L CA -0.037 54.800 54.840 -0.005 0.000 0.863 2114 L CB -0.081 41.965 42.059 -0.023 0.000 1.207 2114 L HN -0.005 nan 8.230 nan 0.000 0.454 2115 L N 5.362 126.597 121.223 0.019 0.000 2.490 2115 L HA 0.071 4.400 4.340 -0.019 0.000 0.274 2115 L C 0.101 177.002 176.870 0.052 0.000 1.201 2115 L CA 0.308 55.164 54.840 0.026 0.000 0.869 2115 L CB 0.865 42.935 42.059 0.018 0.000 1.123 2115 L HN 0.708 nan 8.230 nan 0.000 0.484 2116 C N 3.138 122.466 119.300 0.046 0.000 2.701 2116 C HA 0.650 5.099 4.460 -0.019 0.000 0.336 2116 C C -0.339 174.677 174.990 0.044 0.000 1.123 2116 C CA -0.440 58.621 59.018 0.073 0.000 1.326 2116 C CB 1.503 29.275 27.740 0.054 0.000 1.833 2116 C HN 0.812 nan 8.230 nan 0.000 0.473 2117 S N 3.792 119.515 115.700 0.039 0.000 2.536 2117 S HA 0.613 5.072 4.470 -0.019 0.000 0.287 2117 S C -1.254 173.321 174.600 -0.042 0.000 1.101 2117 S CA -0.281 57.916 58.200 -0.005 0.000 0.950 2117 S CB 1.527 64.707 63.200 -0.032 0.000 1.056 2117 S HN 0.850 nan 8.310 nan 0.000 0.481 2118 Q N 4.124 123.887 119.800 -0.060 0.000 2.571 2118 Q HA 0.339 4.668 4.340 -0.019 0.000 0.243 2118 Q C -2.416 173.551 176.000 -0.056 0.000 1.055 2118 Q CA -1.872 53.831 55.803 -0.166 0.000 0.815 2118 Q CB 1.552 30.191 28.738 -0.164 0.000 1.151 2118 Q HN 0.531 nan 8.270 nan 0.000 0.519 2119 P HA 0.071 nan 4.420 nan 0.000 0.274 2119 P C -0.286 177.058 177.300 0.074 0.000 1.237 2119 P CA -0.162 62.915 63.100 -0.039 0.000 0.793 2119 P CB 1.511 33.144 31.700 -0.112 0.000 0.977 2120 D N -0.287 120.132 120.400 0.033 0.000 2.146 2120 D HA -0.024 4.604 4.640 -0.019 0.000 0.209 2120 D C 0.978 177.299 176.300 0.035 0.000 0.973 2120 D CA 1.590 55.626 54.000 0.060 0.000 0.860 2120 D CB -0.423 40.404 40.800 0.046 0.000 1.015 2120 D HN 0.514 nan 8.370 nan 0.000 0.465 2121 T N -2.775 111.771 114.554 -0.012 0.000 2.952 2121 T HA 0.531 4.870 4.350 -0.019 0.000 0.286 2121 T C 1.386 176.060 174.700 -0.043 0.000 1.024 2121 T CA -0.366 61.721 62.100 -0.021 0.000 1.029 2121 T CB 1.911 70.766 68.868 -0.022 0.000 1.094 2121 T HN -0.002 nan 8.240 nan 0.000 0.515 2122 G N 0.284 109.066 108.800 -0.030 0.000 2.408 2122 G HA2 -0.112 3.837 3.960 -0.019 0.000 0.217 2122 G HA3 -0.112 3.837 3.960 -0.019 0.000 0.217 2122 G C 1.163 176.032 174.900 -0.052 0.000 1.150 2122 G CA 0.584 45.665 45.100 -0.031 0.000 0.776 2122 G HN 0.794 nan 8.290 nan 0.000 0.542 2123 E N 0.008 120.177 120.200 -0.051 0.000 2.085 2123 E HA -0.147 4.192 4.350 -0.019 0.000 0.194 2123 E C 2.421 178.958 176.600 -0.105 0.000 0.994 2123 E CA 1.293 57.667 56.400 -0.044 0.000 0.801 2123 E CB -0.248 29.447 29.700 -0.009 0.000 0.743 2123 E HN 0.615 nan 8.360 nan 0.000 0.453 2124 Q N 0.101 119.777 119.800 -0.207 0.000 2.061 2124 Q HA -0.228 4.101 4.340 -0.019 0.000 0.204 2124 Q C 2.159 177.879 176.000 -0.466 0.000 0.984 2124 Q CA 1.691 57.148 55.803 -0.577 0.000 0.846 2124 Q CB -0.223 28.147 28.738 -0.613 0.000 0.902 2124 Q HN 0.311 nan 8.270 nan 0.000 0.421 2125 A N 0.699 123.367 122.820 -0.253 0.000 1.892 2125 A HA -0.201 4.108 4.320 -0.019 0.000 0.218 2125 A C 2.028 179.537 177.584 -0.124 0.000 1.188 2125 A CA 1.658 53.593 52.037 -0.170 0.000 0.631 2125 A CB -0.740 18.203 19.000 -0.094 0.000 0.822 2125 A HN 0.463 nan 8.150 nan 0.000 0.447 2126 L N -1.223 119.953 121.223 -0.079 0.000 2.179 2126 L HA -0.050 4.279 4.340 -0.019 0.000 0.208 2126 L C 2.518 179.373 176.870 -0.025 0.000 1.096 2126 L CA 0.746 55.573 54.840 -0.022 0.000 0.779 2126 L CB -0.415 41.651 42.059 0.012 0.000 0.922 2126 L HN 0.259 nan 8.230 nan 0.000 0.443 2127 E N 0.546 120.721 120.200 -0.042 0.000 2.153 2127 E HA -0.156 4.183 4.350 -0.019 0.000 0.194 2127 E C 2.280 178.905 176.600 0.042 0.000 0.988 2127 E CA 1.166 57.590 56.400 0.039 0.000 0.811 2127 E CB -0.042 29.756 29.700 0.164 0.000 0.746 2127 E HN 0.504 nan 8.360 nan 0.000 0.466 2128 I N 0.114 120.647 120.570 -0.061 0.000 2.202 2128 I HA -0.317 3.842 4.170 -0.019 0.000 0.242 2128 I C 2.520 178.622 176.117 -0.025 0.000 1.091 2128 I CA 0.671 61.952 61.300 -0.031 0.000 1.368 2128 I CB -0.240 37.696 38.000 -0.107 0.000 1.058 2128 I HN 0.125 nan 8.210 nan 0.000 0.410 2129 C N 0.404 119.672 119.300 -0.053 0.000 2.413 2129 C HA -0.227 4.222 4.460 -0.019 0.000 0.276 2129 C C 2.584 177.556 174.990 -0.029 0.000 1.236 2129 C CA 1.351 60.333 59.018 -0.060 0.000 1.735 2129 C CB -0.989 26.705 27.740 -0.076 0.000 2.031 2129 C HN 0.542 nan 8.230 nan 0.000 0.474 2130 D N 0.372 120.769 120.400 -0.006 0.000 2.117 2130 D HA -0.076 4.553 4.640 -0.019 0.000 0.197 2130 D C 2.188 178.496 176.300 0.013 0.000 0.987 2130 D CA 1.595 55.598 54.000 0.005 0.000 0.829 2130 D CB -0.212 40.600 40.800 0.021 0.000 0.961 2130 D HN 0.408 nan 8.370 nan 0.000 0.460 2131 A N 0.131 122.970 122.820 0.031 0.000 1.883 2131 A HA -0.130 4.178 4.320 -0.019 0.000 0.217 2131 A C 2.433 180.028 177.584 0.017 0.000 1.186 2131 A CA 1.248 53.307 52.037 0.037 0.000 0.624 2131 A CB -0.878 18.163 19.000 0.069 0.000 0.822 2131 A HN 0.346 nan 8.150 nan 0.000 0.444 2132 L N -0.881 120.345 121.223 0.005 0.000 2.056 2132 L HA -0.172 4.157 4.340 -0.019 0.000 0.207 2132 L C 3.120 179.982 176.870 -0.014 0.000 1.078 2132 L CA 0.950 55.786 54.840 -0.007 0.000 0.749 2132 L CB -0.695 41.351 42.059 -0.021 0.000 0.901 2132 L HN 0.447 nan 8.230 nan 0.000 0.433 2133 A N 0.339 123.147 122.820 -0.020 0.000 1.851 2133 A HA -0.249 4.060 4.320 -0.019 0.000 0.216 2133 A C 2.413 179.989 177.584 -0.013 0.000 1.195 2133 A CA 1.796 53.819 52.037 -0.023 0.000 0.622 2133 A CB -0.621 18.362 19.000 -0.028 0.000 0.831 2133 A HN 0.295 nan 8.150 nan 0.000 0.444 2134 R N -0.018 120.479 120.500 -0.006 0.000 2.105 2134 R HA -0.145 4.184 4.340 -0.019 0.000 0.239 2134 R C 2.629 178.930 176.300 0.002 0.000 1.135 2134 R CA 1.672 57.771 56.100 -0.001 0.000 0.967 2134 R CB -0.429 29.874 30.300 0.005 0.000 0.861 2134 R HN 0.773 nan 8.270 nan 0.000 0.442 2135 S N -0.658 115.043 115.700 0.002 0.000 2.400 2135 S HA -0.092 4.367 4.470 -0.019 0.000 0.232 2135 S C 1.651 176.252 174.600 0.001 0.000 1.025 2135 S CA 1.169 59.371 58.200 0.003 0.000 0.993 2135 S CB -0.283 62.919 63.200 0.004 0.000 0.808 2135 S HN 0.549 nan 8.310 nan 0.000 0.478 2136 G N 0.526 109.324 108.800 -0.002 0.000 2.155 2136 G HA2 -0.193 3.756 3.960 -0.019 0.000 0.257 2136 G HA3 -0.193 3.756 3.960 -0.019 0.000 0.257 2136 G C 0.735 175.633 174.900 -0.004 0.000 0.983 2136 G CA 0.374 45.473 45.100 -0.003 0.000 0.676 2136 G HN 1.421 nan 8.290 nan 0.000 0.528 2137 A N -1.211 121.606 122.820 -0.004 0.000 2.197 2137 A HA 0.680 4.989 4.320 -0.019 0.000 0.210 2137 A C 1.001 178.581 177.584 -0.008 0.000 1.180 2137 A CA 1.218 53.253 52.037 -0.005 0.000 0.846 2137 A CB 0.613 19.612 19.000 -0.002 0.000 0.884 2137 A HN 0.971 nan 8.150 nan 0.000 0.487 2138 V N 1.037 120.944 119.914 -0.012 0.000 2.472 2138 V HA 0.228 4.337 4.120 -0.019 0.000 0.290 2138 V C 0.144 176.226 176.094 -0.021 0.000 1.037 2138 V CA -0.498 61.792 62.300 -0.017 0.000 0.908 2138 V CB 1.611 33.421 31.823 -0.021 0.000 0.985 2138 V HN 0.393 nan 8.190 nan 0.000 0.454 2139 D N 1.810 122.197 120.400 -0.022 0.000 2.338 2139 D HA 0.074 4.703 4.640 -0.019 0.000 0.224 2139 D C 0.367 176.648 176.300 -0.031 0.000 0.967 2139 D CA 1.172 55.158 54.000 -0.023 0.000 0.896 2139 D CB 1.441 42.229 40.800 -0.021 0.000 1.028 2139 D HN 0.404 nan 8.370 nan 0.000 0.493 2140 V N 1.064 120.957 119.914 -0.035 0.000 2.577 2140 V HA 0.478 4.587 4.120 -0.019 0.000 0.303 2140 V C -1.437 174.621 176.094 -0.060 0.000 1.042 2140 V CA -0.726 61.546 62.300 -0.047 0.000 0.872 2140 V CB 1.884 33.683 31.823 -0.039 0.000 0.998 2140 V HN -0.094 nan 8.190 nan 0.000 0.423 2141 I N 6.867 127.376 120.570 -0.102 0.000 2.433 2141 I HA 0.642 4.800 4.170 -0.019 0.000 0.292 2141 I C -0.407 175.573 176.117 -0.228 0.000 1.001 2141 I CA -1.028 60.183 61.300 -0.148 0.000 1.119 2141 I CB 1.958 39.854 38.000 -0.173 0.000 1.289 2141 I HN 0.627 nan 8.210 nan 0.000 0.438 2142 V N 7.005 126.758 119.914 -0.269 0.000 2.495 2142 V HA 0.579 4.688 4.120 -0.019 0.000 0.298 2142 V C -0.775 174.963 176.094 -0.594 0.000 1.031 2142 V CA -0.373 61.688 62.300 -0.398 0.000 0.871 2142 V CB 2.038 33.691 31.823 -0.282 0.000 0.988 2142 V HN 0.442 nan 8.190 nan 0.000 0.432 2143 V N 5.709 125.289 119.914 -0.557 0.000 2.328 2143 V HA 0.390 4.499 4.120 -0.019 0.000 0.278 2143 V C -0.114 175.777 176.094 -0.338 0.000 1.021 2143 V CA -0.346 61.680 62.300 -0.457 0.000 0.838 2143 V CB 1.162 32.759 31.823 -0.377 0.000 0.999 2143 V HN 0.974 nan 8.190 nan 0.000 0.447 2144 D N 3.675 123.825 120.400 -0.417 0.000 2.365 2144 D HA 0.293 4.922 4.640 -0.019 0.000 0.237 2144 D C 0.045 176.300 176.300 -0.075 0.000 1.190 2144 D CA 0.672 54.549 54.000 -0.204 0.000 0.867 2144 D CB 0.653 41.390 40.800 -0.104 0.000 1.050 2144 D HN 0.643 nan 8.370 nan 0.000 0.491 2145 S N 1.299 116.981 115.700 -0.030 0.000 3.392 2145 S HA -0.151 4.308 4.470 -0.019 0.000 0.693 2145 S C 1.175 175.782 174.600 0.013 0.000 0.620 2145 S CA 0.332 58.515 58.200 -0.028 0.000 1.452 2145 S CB -1.028 62.118 63.200 -0.090 0.000 0.988 2145 S HN 0.526 nan 8.310 nan 0.000 0.932 2146 V N 2.476 122.414 119.914 0.040 0.000 2.515 2146 V HA -0.021 4.087 4.120 -0.019 0.000 0.250 2146 V C 2.351 178.439 176.094 -0.009 0.000 1.058 2146 V CA 2.363 64.679 62.300 0.026 0.000 1.064 2146 V CB -1.119 30.675 31.823 -0.049 0.000 0.675 2146 V HN 1.476 nan 8.190 nan 0.000 0.461 2147 A N 0.766 123.563 122.820 -0.037 0.000 1.958 2147 A HA -0.087 4.222 4.320 -0.019 0.000 0.221 2147 A C 2.370 180.000 177.584 0.077 0.000 1.178 2147 A CA 2.624 54.646 52.037 -0.024 0.000 0.642 2147 A CB -1.026 17.905 19.000 -0.115 0.000 0.816 2147 A HN 1.252 nan 8.150 nan 0.000 0.453 2148 A N -1.698 121.171 122.820 0.081 0.000 2.275 2148 A HA 0.443 4.752 4.320 -0.019 0.000 0.212 2148 A C 0.558 178.212 177.584 0.115 0.000 1.201 2148 A CA -0.119 52.023 52.037 0.175 0.000 0.843 2148 A CB -0.140 18.962 19.000 0.171 0.000 0.873 2148 A HN 0.289 nan 8.150 nan 0.000 0.492 2149 L N 2.552 123.812 121.223 0.062 0.000 2.451 2149 L HA 0.124 4.453 4.340 -0.019 0.000 0.272 2149 L C 0.062 176.944 176.870 0.020 0.000 1.258 2149 L CA 0.704 55.565 54.840 0.035 0.000 1.132 2149 L CB -1.064 41.007 42.059 0.020 0.000 1.361 2149 L HN 0.102 nan 8.230 nan 0.000 0.438 2150 T N 4.537 119.108 114.554 0.027 0.000 2.737 2150 T HA 0.242 4.581 4.350 -0.019 0.000 0.296 2150 T C -2.174 172.508 174.700 -0.029 0.000 0.922 2150 T CA -1.177 60.924 62.100 0.003 0.000 1.079 2150 T CB 0.539 69.414 68.868 0.011 0.000 0.892 2150 T HN 0.210 nan 8.240 nan 0.000 0.514 2151 P HA 0.049 nan 4.420 nan 0.000 0.266 2151 P C 0.907 178.147 177.300 -0.100 0.000 1.193 2151 P CA -0.242 62.807 63.100 -0.084 0.000 0.770 2151 P CB 0.718 32.345 31.700 -0.122 0.000 0.836 2152 K N 2.855 123.209 120.400 -0.077 0.000 2.063 2152 K HA -0.200 4.109 4.320 -0.019 0.000 0.208 2152 K C 1.804 178.349 176.600 -0.091 0.000 1.048 2152 K CA 1.800 58.052 56.287 -0.059 0.000 0.928 2152 K CB -0.585 31.899 32.500 -0.027 0.000 0.713 2152 K HN 0.468 nan 8.250 nan 0.000 0.442 2153 A N 0.826 123.560 122.820 -0.144 0.000 1.972 2153 A HA -0.202 4.107 4.320 -0.019 0.000 0.219 2153 A C 1.957 179.348 177.584 -0.323 0.000 1.169 2153 A CA 1.756 53.682 52.037 -0.186 0.000 0.635 2153 A CB -0.454 18.433 19.000 -0.189 0.000 0.810 2153 A HN 0.560 nan 8.150 nan 0.000 0.446 2154 E N -0.307 119.612 120.200 -0.469 0.000 2.072 2154 E HA -0.112 4.226 4.350 -0.019 0.000 0.190 2154 E C 1.801 178.353 176.600 -0.079 0.000 0.982 2154 E CA 0.996 57.153 56.400 -0.405 0.000 0.803 2154 E CB -0.194 29.334 29.700 -0.287 0.000 0.755 2154 E HN 0.631 nan 8.360 nan 0.000 0.453 2155 I N 0.951 121.479 120.570 -0.070 0.000 2.226 2155 I HA -0.253 3.906 4.170 -0.019 0.000 0.245 2155 I C 2.109 178.226 176.117 -0.001 0.000 1.100 2155 I CA 1.384 62.672 61.300 -0.020 0.000 1.374 2155 I CB -0.068 37.922 38.000 -0.018 0.000 1.057 2155 I HN 0.162 nan 8.210 nan 0.000 0.413 2156 E N 0.320 120.515 120.200 -0.008 0.000 2.216 2156 E HA -0.005 4.334 4.350 -0.019 0.000 0.192 2156 E C 1.314 177.935 176.600 0.035 0.000 0.988 2156 E CA 0.424 56.830 56.400 0.011 0.000 0.834 2156 E CB -0.113 29.590 29.700 0.004 0.000 0.772 2156 E HN 0.504 nan 8.360 nan 0.000 0.479 2157 G N 0.770 109.607 108.800 0.061 0.000 2.653 2157 G HA2 0.051 4.000 3.960 -0.019 0.000 0.265 2157 G HA3 0.051 4.000 3.960 -0.019 0.000 0.265 2157 G C -0.195 174.769 174.900 0.106 0.000 1.237 2157 G CA -0.509 44.666 45.100 0.125 0.000 0.946 2157 G HN 0.006 nan 8.290 nan 0.000 0.522 2158 E N -1.276 118.982 120.200 0.097 0.000 2.280 2158 E HA 0.255 4.594 4.350 -0.019 0.000 0.261 2158 E C -0.126 176.519 176.600 0.076 0.000 1.088 2158 E CA -0.500 55.948 56.400 0.080 0.000 0.915 2158 E CB 1.716 31.459 29.700 0.072 0.000 1.141 2158 E HN 0.231 nan 8.360 nan 0.000 0.433 2159 I N 1.266 121.875 120.570 0.064 0.000 2.452 2159 I HA 0.090 4.249 4.170 -0.019 0.000 0.287 2159 I C 1.137 177.268 176.117 0.023 0.000 1.079 2159 I CA 0.982 62.306 61.300 0.039 0.000 1.387 2159 I CB 0.381 38.397 38.000 0.026 0.000 1.404 2159 I HN 0.879 nan 8.210 nan 0.000 0.522 2160 G N 4.037 112.836 108.800 -0.002 0.000 2.253 2160 G HA2 -0.196 3.753 3.960 -0.019 0.000 0.209 2160 G HA3 -0.196 3.753 3.960 -0.019 0.000 0.209 2160 G C -0.014 174.848 174.900 -0.064 0.000 0.997 2160 G CA -0.658 44.426 45.100 -0.026 0.000 0.640 2160 G HN 0.526 nan 8.290 nan 0.000 0.496 2161 D N 1.085 121.435 120.400 -0.084 0.000 2.443 2161 D HA 0.458 5.087 4.640 -0.019 0.000 0.239 2161 D C 0.354 176.412 176.300 -0.404 0.000 1.136 2161 D CA 0.740 54.611 54.000 -0.214 0.000 0.879 2161 D CB 1.517 42.200 40.800 -0.195 0.000 1.195 2161 D HN 0.154 nan 8.370 nan 0.000 0.443 2162 S N 1.681 117.137 115.700 -0.407 0.000 2.438 2162 S HA 0.191 4.650 4.470 -0.019 0.000 0.293 2162 S C -0.618 173.701 174.600 -0.469 0.000 1.141 2162 S CA -0.656 57.346 58.200 -0.331 0.000 1.080 2162 S CB 0.132 63.238 63.200 -0.156 0.000 0.978 2162 S HN 0.316 nan 8.310 nan 0.000 0.479 2163 H N 5.100 124.165 119.070 -0.008 0.000 2.336 2163 H HA 0.237 4.782 4.556 -0.019 0.000 0.230 2163 H C -0.343 174.979 175.328 -0.011 0.000 1.426 2163 H CA -0.334 55.709 56.048 -0.009 0.000 1.359 2163 H CB -0.042 29.714 29.762 -0.009 0.000 1.555 2163 H HN 0.558 nan 8.280 nan 0.000 0.512 2164 M N 0.441 120.072 119.600 0.052 0.000 2.338 2164 M HA -0.021 4.448 4.480 -0.019 0.000 0.360 2164 M C 1.292 177.611 176.300 0.032 0.000 1.547 2164 M CA 1.175 56.492 55.300 0.028 0.000 1.001 2164 M CB 0.376 32.980 32.600 0.007 0.000 2.008 2164 M HN 0.839 nan 8.290 nan 0.000 0.464 2165 G N 3.055 111.868 108.800 0.021 0.000 2.244 2165 G HA2 -0.289 3.660 3.960 -0.019 0.000 0.274 2165 G HA3 -0.289 3.660 3.960 -0.019 0.000 0.274 2165 G C 0.714 175.620 174.900 0.010 0.000 1.002 2165 G CA 0.593 45.700 45.100 0.011 0.000 0.740 2165 G HN 0.775 nan 8.290 nan 0.000 0.516 2166 L N -0.552 120.686 121.223 0.026 0.000 2.005 2166 L HA 0.085 4.413 4.340 -0.019 0.000 0.207 2166 L C 3.155 180.016 176.870 -0.015 0.000 1.072 2166 L CA 2.182 57.026 54.840 0.007 0.000 0.744 2166 L CB -0.560 41.505 42.059 0.011 0.000 0.895 2166 L HN 0.416 nan 8.230 nan 0.000 0.433 2167 A N -0.444 122.368 122.820 -0.014 0.000 1.933 2167 A HA -0.166 4.142 4.320 -0.019 0.000 0.218 2167 A C 2.379 179.942 177.584 -0.036 0.000 1.175 2167 A CA 1.607 53.627 52.037 -0.028 0.000 0.628 2167 A CB -0.679 18.308 19.000 -0.022 0.000 0.814 2167 A HN 0.547 nan 8.150 nan 0.000 0.444 2168 A N -0.398 122.407 122.820 -0.026 0.000 1.898 2168 A HA -0.130 4.179 4.320 -0.019 0.000 0.216 2168 A C 2.245 179.812 177.584 -0.029 0.000 1.181 2168 A CA 1.664 53.684 52.037 -0.028 0.000 0.620 2168 A CB -0.438 18.553 19.000 -0.015 0.000 0.819 2168 A HN 0.518 nan 8.150 nan 0.000 0.442 2169 R N -1.016 119.470 120.500 -0.022 0.000 2.115 2169 R HA -0.036 4.293 4.340 -0.019 0.000 0.230 2169 R C 2.244 178.526 176.300 -0.030 0.000 1.111 2169 R CA 1.468 57.556 56.100 -0.021 0.000 0.976 2169 R CB -0.272 30.020 30.300 -0.014 0.000 0.870 2169 R HN 0.650 nan 8.270 nan 0.000 0.445 2170 M N -0.401 119.177 119.600 -0.036 0.000 2.099 2170 M HA -0.174 4.295 4.480 -0.019 0.000 0.262 2170 M C 1.701 177.965 176.300 -0.060 0.000 1.067 2170 M CA 1.474 56.749 55.300 -0.042 0.000 1.124 2170 M CB 0.058 32.633 32.600 -0.042 0.000 1.353 2170 M HN 0.185 nan 8.290 nan 0.000 0.410 2171 M N -0.401 119.152 119.600 -0.078 0.000 2.117 2171 M HA -0.171 4.298 4.480 -0.019 0.000 0.262 2171 M C 2.440 178.659 176.300 -0.135 0.000 1.065 2171 M CA 1.564 56.788 55.300 -0.127 0.000 1.114 2171 M CB -1.388 31.126 32.600 -0.144 0.000 1.361 2171 M HN 0.388 nan 8.290 nan 0.000 0.408 2172 S N -0.158 115.491 115.700 -0.086 0.000 2.368 2172 S HA -0.208 4.250 4.470 -0.019 0.000 0.225 2172 S C 1.893 176.438 174.600 -0.091 0.000 1.030 2172 S CA 1.551 59.710 58.200 -0.069 0.000 0.999 2172 S CB -0.137 63.052 63.200 -0.019 0.000 0.844 2172 S HN 0.544 nan 8.310 nan 0.000 0.459 2173 Q N 0.127 119.889 119.800 -0.063 0.000 2.079 2173 Q HA -0.063 4.266 4.340 -0.019 0.000 0.200 2173 Q C 2.210 178.165 176.000 -0.076 0.000 0.974 2173 Q CA 1.371 57.148 55.803 -0.043 0.000 0.840 2173 Q CB -0.428 28.306 28.738 -0.007 0.000 0.898 2173 Q HN 0.626 nan 8.270 nan 0.000 0.430 2174 A N 0.866 123.631 122.820 -0.092 0.000 1.883 2174 A HA -0.230 4.079 4.320 -0.019 0.000 0.217 2174 A C 2.056 179.544 177.584 -0.161 0.000 1.186 2174 A CA 1.803 53.787 52.037 -0.088 0.000 0.624 2174 A CB -0.567 18.395 19.000 -0.063 0.000 0.822 2174 A HN 0.419 nan 8.150 nan 0.000 0.444 2175 M N -0.641 118.767 119.600 -0.319 0.000 2.080 2175 M HA -0.155 4.314 4.480 -0.019 0.000 0.260 2175 M C 2.168 178.118 176.300 -0.583 0.000 1.068 2175 M CA 1.641 56.553 55.300 -0.646 0.000 1.109 2175 M CB -1.423 30.373 32.600 -1.339 0.000 1.342 2175 M HN 0.418 nan 8.290 nan 0.000 0.405 2176 R N 0.288 120.560 120.500 -0.379 0.000 2.094 2176 R HA -0.173 4.156 4.340 -0.019 0.000 0.239 2176 R C 2.320 178.590 176.300 -0.051 0.000 1.137 2176 R CA 1.661 57.703 56.100 -0.098 0.000 0.943 2176 R CB -0.259 30.029 30.300 -0.021 0.000 0.850 2176 R HN 0.448 nan 8.270 nan 0.000 0.433 2177 K N 0.231 120.593 120.400 -0.063 0.000 2.062 2177 K HA -0.076 4.233 4.320 -0.019 0.000 0.205 2177 K C 2.183 178.757 176.600 -0.044 0.000 1.051 2177 K CA 1.026 57.292 56.287 -0.034 0.000 0.941 2177 K CB -0.054 32.436 32.500 -0.015 0.000 0.719 2177 K HN 0.161 nan 8.250 nan 0.000 0.440 2178 L N 0.593 121.781 121.223 -0.059 0.000 2.044 2178 L HA -0.099 4.230 4.340 -0.019 0.000 0.205 2178 L C 2.642 179.482 176.870 -0.050 0.000 1.075 2178 L CA 0.883 55.699 54.840 -0.040 0.000 0.747 2178 L CB -0.671 41.384 42.059 -0.006 0.000 0.903 2178 L HN 0.150 nan 8.230 nan 0.000 0.435 2179 A N 0.717 123.513 122.820 -0.039 0.000 1.896 2179 A HA -0.277 4.032 4.320 -0.019 0.000 0.220 2179 A C 2.361 179.826 177.584 -0.198 0.000 1.206 2179 A CA 2.408 54.448 52.037 0.004 0.000 0.647 2179 A CB -1.552 17.565 19.000 0.194 0.000 0.828 2179 A HN 0.480 nan 8.150 nan 0.000 0.455 2180 G N -0.935 107.678 108.800 -0.313 0.000 2.404 2180 G HA2 -0.261 3.688 3.960 -0.019 0.000 0.215 2180 G HA3 -0.261 3.688 3.960 -0.019 0.000 0.215 2180 G C 1.444 176.160 174.900 -0.306 0.000 1.174 2180 G CA 1.030 45.768 45.100 -0.604 0.000 0.780 2180 G HN 0.728 nan 8.290 nan 0.000 0.537 2181 N N -0.050 118.561 118.700 -0.148 0.000 2.223 2181 N HA -0.011 4.718 4.740 -0.019 0.000 0.185 2181 N C 2.195 177.666 175.510 -0.065 0.000 1.016 2181 N CA 0.441 53.444 53.050 -0.078 0.000 0.863 2181 N CB -0.120 38.340 38.487 -0.045 0.000 0.983 2181 N HN 0.238 nan 8.380 nan 0.000 0.429 2182 L N 0.717 121.898 121.223 -0.070 0.000 2.072 2182 L HA -0.121 4.208 4.340 -0.019 0.000 0.205 2182 L C 2.421 179.273 176.870 -0.030 0.000 1.079 2182 L CA 0.890 55.706 54.840 -0.041 0.000 0.752 2182 L CB -0.203 41.842 42.059 -0.022 0.000 0.906 2182 L HN 0.068 nan 8.230 nan 0.000 0.436 2183 K N 0.565 120.934 120.400 -0.052 0.000 2.025 2183 K HA -0.191 4.118 4.320 -0.019 0.000 0.207 2183 K C 2.056 178.669 176.600 0.021 0.000 1.049 2183 K CA 1.604 57.895 56.287 0.007 0.000 0.933 2183 K CB -0.231 32.308 32.500 0.065 0.000 0.714 2183 K HN 0.172 nan 8.250 nan 0.000 0.438 2184 Q N -0.522 119.276 119.800 -0.003 0.000 2.364 2184 Q HA 0.034 4.363 4.340 -0.019 0.000 0.207 2184 Q C 1.071 177.078 176.000 0.012 0.000 0.970 2184 Q CA 1.372 57.187 55.803 0.020 0.000 0.888 2184 Q CB 0.230 28.979 28.738 0.018 0.000 0.951 2184 Q HN 0.233 nan 8.270 nan 0.000 0.469 2185 S N -0.028 115.672 115.700 -0.001 0.000 2.524 2185 S HA 0.055 4.514 4.470 -0.019 0.000 0.215 2185 S C 0.238 174.838 174.600 -0.001 0.000 0.986 2185 S CA -0.082 58.117 58.200 -0.002 0.000 0.911 2185 S CB 0.293 63.487 63.200 -0.010 0.000 0.805 2185 S HN 0.453 nan 8.310 nan 0.000 0.501 2186 N N 2.042 120.744 118.700 0.004 0.000 2.735 2186 N HA -0.141 4.588 4.740 -0.019 0.000 0.248 2186 N C -1.148 174.359 175.510 -0.005 0.000 1.083 2186 N CA 0.892 53.945 53.050 0.005 0.000 0.703 2186 N CB -1.506 36.985 38.487 0.007 0.000 1.005 2186 N HN 0.259 nan 8.380 nan 0.000 0.550 2187 T N 0.780 115.327 114.554 -0.012 0.000 2.767 2187 T HA 0.431 4.770 4.350 -0.019 0.000 0.288 2187 T C 0.257 174.942 174.700 -0.026 0.000 0.963 2187 T CA -0.667 61.419 62.100 -0.023 0.000 1.019 2187 T CB 1.430 70.280 68.868 -0.031 0.000 0.923 2187 T HN 0.294 nan 8.240 nan 0.000 0.468 2188 L N 4.597 125.801 121.223 -0.032 0.000 2.331 2188 L HA 0.546 4.875 4.340 -0.019 0.000 0.278 2188 L C -0.804 176.022 176.870 -0.073 0.000 1.106 2188 L CA -0.246 54.572 54.840 -0.037 0.000 0.824 2188 L CB 0.364 42.403 42.059 -0.033 0.000 1.142 2188 L HN 0.627 nan 8.230 nan 0.000 0.443 2189 L N 6.834 128.007 121.223 -0.083 0.000 2.319 2189 L HA 0.534 4.863 4.340 -0.019 0.000 0.281 2189 L C -1.002 175.747 176.870 -0.202 0.000 1.005 2189 L CA -0.477 54.252 54.840 -0.186 0.000 0.828 2189 L CB 1.193 43.129 42.059 -0.205 0.000 1.227 2189 L HN 0.669 nan 8.230 nan 0.000 0.415 2190 I N 4.581 124.996 120.570 -0.259 0.000 2.321 2190 I HA 0.273 4.432 4.170 -0.019 0.000 0.291 2190 I C -0.810 175.121 176.117 -0.310 0.000 0.998 2190 I CA -0.291 60.902 61.300 -0.178 0.000 1.227 2190 I CB 1.239 39.180 38.000 -0.099 0.000 1.368 2190 I HN 0.395 nan 8.210 nan 0.000 0.466 2191 F N 6.612 126.536 119.950 -0.043 0.000 2.404 2191 F HA 0.462 4.978 4.527 -0.019 0.000 0.354 2191 F C 0.393 176.177 175.800 -0.027 0.000 1.122 2191 F CA -0.427 57.543 58.000 -0.049 0.000 1.080 2191 F CB 0.965 39.949 39.000 -0.028 0.000 1.131 2191 F HN 0.213 nan 8.300 nan 0.000 0.471 2192 I N 3.610 124.255 120.570 0.124 0.000 2.395 2192 I HA 0.206 4.365 4.170 -0.019 0.000 0.289 2192 I C -0.168 176.008 176.117 0.098 0.000 1.023 2192 I CA -0.097 61.260 61.300 0.095 0.000 1.350 2192 I CB 1.017 39.046 38.000 0.047 0.000 1.409 2192 I HN 0.638 nan 8.210 nan 0.000 0.507 2193 N N 4.343 123.104 118.700 0.103 0.000 2.292 2193 N HA 0.389 5.118 4.740 -0.019 0.000 0.303 2193 N C -1.176 174.323 175.510 -0.017 0.000 1.140 2193 N CA -0.693 52.378 53.050 0.035 0.000 0.788 2193 N CB 1.701 40.217 38.487 0.049 0.000 1.361 2193 N HN 0.540 nan 8.380 nan 0.000 0.489 2194 Q N 0.867 120.542 119.800 -0.208 0.000 2.180 2194 Q HA 0.490 4.819 4.340 -0.019 0.000 0.241 2194 Q C -0.634 175.179 176.000 -0.312 0.000 0.970 2194 Q CA -0.628 54.875 55.803 -0.500 0.000 0.919 2194 Q CB 1.985 30.048 28.738 -1.125 0.000 1.222 2194 Q HN 0.479 nan 8.270 nan 0.000 0.482 2195 I N 1.483 121.909 120.570 -0.240 0.000 2.359 2195 I HA 0.349 4.508 4.170 -0.019 0.000 0.294 2195 I C -0.011 176.080 176.117 -0.044 0.000 0.987 2195 I CA -0.661 60.608 61.300 -0.050 0.000 1.225 2195 I CB 0.768 38.853 38.000 0.142 0.000 1.366 2195 I HN 0.322 nan 8.210 nan 0.000 0.466 2196 R N 4.580 125.046 120.500 -0.057 0.000 2.873 2196 R HA 0.617 4.946 4.340 -0.019 0.000 0.264 2196 R C -0.910 175.384 176.300 -0.010 0.000 1.026 2196 R CA -1.341 54.749 56.100 -0.017 0.000 1.002 2196 R CB 1.585 31.860 30.300 -0.042 0.000 1.174 2196 R HN 0.400 nan 8.270 nan 0.000 0.488 2197 M N 2.033 121.634 119.600 0.001 0.000 2.209 2197 M HA 0.232 4.701 4.480 -0.019 0.000 0.355 2197 M C -0.098 176.186 176.300 -0.027 0.000 1.171 2197 M CA -0.293 55.001 55.300 -0.011 0.000 1.069 2197 M CB 0.868 33.468 32.600 -0.000 0.000 1.622 2197 M HN 0.291 nan 8.290 nan 0.000 0.459 2198 K N 4.761 125.136 120.400 -0.043 0.000 2.144 2198 K HA 0.574 4.883 4.320 -0.019 0.000 0.270 2198 K C -0.913 175.653 176.600 -0.057 0.000 1.005 2198 K CA -0.562 55.696 56.287 -0.047 0.000 0.932 2198 K CB 1.495 33.964 32.500 -0.051 0.000 1.021 2198 K HN 0.852 nan 8.250 nan 0.000 0.462 2199 I N -0.220 120.321 120.570 -0.049 0.000 2.465 2199 I HA 0.427 4.586 4.170 -0.019 0.000 0.291 2199 I C -0.189 175.897 176.117 -0.052 0.000 1.014 2199 I CA 0.141 61.411 61.300 -0.050 0.000 1.093 2199 I CB 1.524 39.505 38.000 -0.032 0.000 1.267 2199 I HN 1.021 nan 8.210 nan 0.000 0.431 2200 G N 5.123 113.884 108.800 -0.066 0.000 2.288 2200 G HA2 -0.112 3.837 3.960 -0.019 0.000 0.205 2200 G HA3 -0.112 3.837 3.960 -0.019 0.000 0.205 2200 G C -0.884 173.955 174.900 -0.103 0.000 1.071 2200 G CA 0.037 45.103 45.100 -0.057 0.000 0.788 2200 G HN 0.996 nan 8.290 nan 0.000 0.491 2201 V N 2.052 121.846 119.914 -0.200 0.000 2.524 2201 V HA 0.698 4.807 4.120 -0.019 0.000 0.297 2201 V C 1.009 176.837 176.094 -0.443 0.000 1.035 2201 V CA -0.235 61.782 62.300 -0.471 0.000 0.867 2201 V CB 1.211 32.705 31.823 -0.548 0.000 1.004 2201 V HN 0.368 nan 8.190 nan 0.000 0.426 2202 M N 6.013 125.354 119.600 -0.432 0.000 2.615 2202 M HA 0.286 4.755 4.480 -0.019 0.000 0.262 2202 M C 0.742 176.962 176.300 -0.133 0.000 1.198 2202 M CA 0.605 55.798 55.300 -0.179 0.000 1.165 2202 M CB -0.469 32.122 32.600 -0.016 0.000 1.310 2202 M HN 0.610 nan 8.290 nan 0.000 0.494 2203 F N 1.612 121.564 119.950 0.003 0.000 2.426 2203 F HA 0.681 5.197 4.527 -0.018 0.000 0.309 2203 F C 1.306 177.108 175.800 0.003 0.000 1.246 2203 F CA -0.387 57.614 58.000 0.002 0.000 1.229 2203 F CB -0.909 38.092 39.000 0.001 0.000 1.255 2203 F HN 0.419 nan 8.300 nan 0.000 0.558 2204 G N 1.138 110.078 108.800 0.234 0.000 2.602 2204 G HA2 -0.301 3.647 3.960 -0.019 0.000 0.306 2204 G HA3 -0.301 3.647 3.960 -0.019 0.000 0.306 2204 G C -0.642 174.263 174.900 0.008 0.000 1.301 2204 G CA 0.430 45.617 45.100 0.144 0.000 0.974 2204 G HN 1.474 nan 8.290 nan 0.000 0.547 2205 N N 1.097 119.792 118.700 -0.007 0.000 2.240 2205 N HA 0.534 5.263 4.740 -0.019 0.000 0.302 2205 N C -1.823 173.645 175.510 -0.071 0.000 1.106 2205 N CA -1.349 51.680 53.050 -0.036 0.000 0.778 2205 N CB 2.480 40.966 38.487 -0.001 0.000 1.431 2205 N HN 0.328 nan 8.380 nan 0.000 0.479 2206 P HA 0.149 nan 4.420 nan 0.000 0.249 2206 P C -0.377 176.889 177.300 -0.057 0.000 1.229 2206 P CA 0.381 63.426 63.100 -0.090 0.000 0.788 2206 P CB 0.536 32.189 31.700 -0.079 0.000 1.072 2207 E N 0.252 120.429 120.200 -0.039 0.000 2.366 2207 E HA 0.310 4.649 4.350 -0.019 0.000 0.266 2207 E C 0.082 176.634 176.600 -0.080 0.000 1.051 2207 E CA 0.295 56.671 56.400 -0.039 0.000 0.884 2207 E CB 0.720 30.411 29.700 -0.015 0.000 1.006 2207 E HN 0.116 nan 8.360 nan 0.000 0.417 2208 T N -0.022 114.469 114.554 -0.105 0.000 2.618 2208 T HA 0.449 4.788 4.350 -0.019 0.000 0.293 2208 T C -0.536 174.040 174.700 -0.206 0.000 1.093 2208 T CA -0.773 61.236 62.100 -0.152 0.000 1.061 2208 T CB 1.693 70.502 68.868 -0.099 0.000 1.498 2208 T HN 0.319 nan 8.240 nan 0.000 0.494 2209 T N 1.617 116.051 114.554 -0.200 0.000 2.909 2209 T HA 0.625 4.963 4.350 -0.019 0.000 0.299 2209 T C -0.603 174.013 174.700 -0.139 0.000 1.073 2209 T CA -0.539 61.432 62.100 -0.215 0.000 0.999 2209 T CB 1.577 70.272 68.868 -0.288 0.000 1.098 2209 T HN 0.765 nan 8.240 nan 0.000 0.477 2210 T N 0.954 115.431 114.554 -0.128 0.000 2.868 2210 T HA 0.510 4.848 4.350 -0.019 0.000 0.292 2210 T C 1.222 175.869 174.700 -0.088 0.000 1.028 2210 T CA 0.304 62.347 62.100 -0.096 0.000 1.059 2210 T CB 0.683 69.496 68.868 -0.092 0.000 0.991 2210 T HN 1.176 nan 8.240 nan 0.000 0.531 2211 G N 0.296 109.054 108.800 -0.069 0.000 2.204 2211 G HA2 0.269 4.218 3.960 -0.019 0.000 0.244 2211 G HA3 0.269 4.218 3.960 -0.019 0.000 0.244 2211 G C 0.693 175.553 174.900 -0.066 0.000 1.062 2211 G CA 0.105 45.161 45.100 -0.073 0.000 0.798 2211 G HN 1.848 nan 8.290 nan 0.000 0.496 2212 G N -0.355 108.419 108.800 -0.043 0.000 2.593 2212 G HA2 -0.180 3.768 3.960 -0.019 0.000 0.237 2212 G HA3 -0.180 3.768 3.960 -0.019 0.000 0.237 2212 G C 0.532 175.436 174.900 0.007 0.000 1.312 2212 G CA 0.496 45.587 45.100 -0.015 0.000 0.896 2212 G HN 0.958 nan 8.290 nan 0.000 0.574 2213 N N 0.366 119.103 118.700 0.061 0.000 2.250 2213 N HA 0.240 4.969 4.740 -0.019 0.000 0.190 2213 N C 2.367 178.041 175.510 0.274 0.000 1.116 2213 N CA 1.136 54.276 53.050 0.150 0.000 0.881 2213 N CB 0.323 38.936 38.487 0.211 0.000 1.006 2213 N HN 0.843 nan 8.380 nan 0.000 0.491 2214 A N 1.578 124.514 122.820 0.194 0.000 1.865 2214 A HA -0.148 4.161 4.320 -0.019 0.000 0.217 2214 A C 2.160 179.952 177.584 0.346 0.000 1.191 2214 A CA 1.154 53.356 52.037 0.277 0.000 0.623 2214 A CB -0.724 18.334 19.000 0.098 0.000 0.826 2214 A HN 0.196 nan 8.150 nan 0.000 0.444 2215 L N 0.012 121.306 121.223 0.117 0.000 2.083 2215 L HA -0.166 4.163 4.340 -0.019 0.000 0.209 2215 L C 2.232 179.175 176.870 0.123 0.000 1.083 2215 L CA 2.216 57.091 54.840 0.059 0.000 0.752 2215 L CB -0.568 41.408 42.059 -0.138 0.000 0.899 2215 L HN 0.391 nan 8.230 nan 0.000 0.433 2216 K N -1.211 119.233 120.400 0.074 0.000 2.074 2216 K HA -0.232 4.077 4.320 -0.019 0.000 0.209 2216 K C 2.035 178.584 176.600 -0.084 0.000 1.048 2216 K CA 2.067 58.322 56.287 -0.054 0.000 0.926 2216 K CB -0.460 31.910 32.500 -0.217 0.000 0.713 2216 K HN 0.276 nan 8.250 nan 0.000 0.444 2217 F N -0.689 119.299 119.950 0.062 0.000 2.149 2217 F HA -0.095 4.421 4.527 -0.019 0.000 0.294 2217 F C 2.108 177.880 175.800 -0.047 0.000 1.095 2217 F CA 1.044 59.036 58.000 -0.013 0.000 1.276 2217 F CB -0.381 38.575 39.000 -0.073 0.000 1.023 2217 F HN -0.032 nan 8.300 nan 0.000 0.480 2218 Y N 0.196 120.623 120.300 0.213 0.000 2.373 2218 Y HA 0.171 4.710 4.550 -0.018 0.000 0.293 2218 Y C 1.677 177.639 175.900 0.103 0.000 1.129 2218 Y CA 0.020 58.205 58.100 0.141 0.000 1.226 2218 Y CB -0.794 37.731 38.460 0.108 0.000 1.000 2218 Y HN -0.111 nan 8.280 nan 0.000 0.549 2219 A N -0.037 122.914 122.820 0.218 0.000 2.546 2219 A HA 0.100 4.409 4.320 -0.019 0.000 0.243 2219 A C 1.242 178.873 177.584 0.077 0.000 1.063 2219 A CA 0.565 52.685 52.037 0.140 0.000 0.757 2219 A CB 0.098 19.162 19.000 0.106 0.000 0.991 2219 A HN 0.355 nan 8.150 nan 0.000 0.503 2220 S N 0.571 116.307 115.700 0.060 0.000 2.486 2220 S HA 0.201 4.660 4.470 -0.019 0.000 0.220 2220 S C 0.305 174.886 174.600 -0.033 0.000 1.011 2220 S CA 0.430 58.637 58.200 0.011 0.000 0.921 2220 S CB 0.145 63.356 63.200 0.018 0.000 0.785 2220 S HN 0.565 nan 8.310 nan 0.000 0.517 2221 V N 2.439 122.343 119.914 -0.017 0.000 2.733 2221 V HA 0.455 4.563 4.120 -0.019 0.000 0.306 2221 V C -0.900 175.181 176.094 -0.023 0.000 1.084 2221 V CA -0.842 61.430 62.300 -0.047 0.000 0.905 2221 V CB 2.126 33.921 31.823 -0.046 0.000 1.010 2221 V HN 0.143 nan 8.190 nan 0.000 0.424 2222 R N 4.275 124.744 120.500 -0.051 0.000 2.480 2222 R HA 0.679 5.008 4.340 -0.019 0.000 0.306 2222 R C -1.831 174.404 176.300 -0.107 0.000 0.958 2222 R CA -0.907 55.179 56.100 -0.024 0.000 0.861 2222 R CB 2.255 32.586 30.300 0.052 0.000 1.171 2222 R HN 0.338 nan 8.270 nan 0.000 0.445 2223 L N 2.427 123.550 121.223 -0.166 0.000 2.313 2223 L HA 0.285 4.614 4.340 -0.019 0.000 0.283 2223 L C -0.208 176.350 176.870 -0.520 0.000 1.013 2223 L CA -0.545 54.157 54.840 -0.230 0.000 0.816 2223 L CB 1.425 43.414 42.059 -0.116 0.000 1.236 2223 L HN 0.496 nan 8.230 nan 0.000 0.419 2224 D N 4.352 124.460 120.400 -0.488 0.000 2.443 2224 D HA 0.243 4.872 4.640 -0.019 0.000 0.221 2224 D C -0.583 175.581 176.300 -0.227 0.000 1.097 2224 D CA -0.208 53.442 54.000 -0.583 0.000 0.865 2224 D CB 0.799 41.398 40.800 -0.334 0.000 1.034 2224 D HN 0.453 nan 8.370 nan 0.000 0.511 2225 I N 3.341 123.815 120.570 -0.161 0.000 2.385 2225 I HA 0.463 4.622 4.170 -0.019 0.000 0.294 2225 I C -0.610 175.500 176.117 -0.011 0.000 0.988 2225 I CA -0.619 60.650 61.300 -0.051 0.000 1.265 2225 I CB 0.577 38.583 38.000 0.010 0.000 1.388 2225 I HN 0.242 nan 8.210 nan 0.000 0.480 2226 R N 5.689 126.170 120.500 -0.031 0.000 2.584 2226 R HA 0.373 4.702 4.340 -0.019 0.000 0.276 2226 R C -1.084 175.194 176.300 -0.036 0.000 1.046 2226 R CA -0.902 55.191 56.100 -0.011 0.000 0.906 2226 R CB 2.000 32.294 30.300 -0.009 0.000 1.215 2226 R HN 0.570 nan 8.270 nan 0.000 0.449 2227 R N 4.004 124.505 120.500 0.001 0.000 2.298 2227 R HA 0.179 4.507 4.340 -0.019 0.000 0.310 2227 R C 0.695 176.985 176.300 -0.017 0.000 1.068 2227 R CA 0.124 56.225 56.100 0.001 0.000 0.957 2227 R CB 0.465 30.803 30.300 0.063 0.000 1.003 2227 R HN 0.772 nan 8.270 nan 0.000 0.454 2228 I N 0.455 120.997 120.570 -0.045 0.000 4.181 2228 I HA 0.485 4.644 4.170 -0.019 0.000 0.331 2228 I C 0.461 176.552 176.117 -0.044 0.000 1.312 2228 I CA -0.205 61.066 61.300 -0.048 0.000 1.146 2228 I CB 1.036 38.995 38.000 -0.067 0.000 1.074 2228 I HN 0.629 nan 8.210 nan 0.000 0.402 2229 G N 1.054 109.826 108.800 -0.046 0.000 2.441 2229 G HA2 0.658 4.607 3.960 -0.019 0.000 0.294 2229 G HA3 0.658 4.607 3.960 -0.019 0.000 0.294 2229 G C -1.981 172.879 174.900 -0.067 0.000 1.393 2229 G CA -0.231 44.836 45.100 -0.056 0.000 0.796 2229 G HN 0.296 nan 8.290 nan 0.000 0.494 2230 A N -0.543 122.222 122.820 -0.092 0.000 2.317 2230 A HA 0.726 5.035 4.320 -0.019 0.000 0.327 2230 A C -0.252 177.282 177.584 -0.084 0.000 1.178 2230 A CA -0.531 51.441 52.037 -0.109 0.000 0.817 2230 A CB 1.552 20.444 19.000 -0.180 0.000 1.189 2230 A HN 1.342 nan 8.150 nan 0.000 0.489 2231 V N 3.785 123.645 119.914 -0.090 0.000 2.389 2231 V HA 0.195 4.304 4.120 -0.019 0.000 0.264 2231 V C 0.358 176.418 176.094 -0.058 0.000 1.049 2231 V CA 0.000 62.253 62.300 -0.079 0.000 0.932 2231 V CB 0.345 32.105 31.823 -0.104 0.000 1.011 2231 V HN 0.846 nan 8.190 nan 0.000 0.475 2232 K N 3.358 123.735 120.400 -0.039 0.000 2.156 2232 K HA 0.481 4.790 4.320 -0.019 0.000 0.254 2232 K C -0.126 176.469 176.600 -0.008 0.000 0.950 2232 K CA -0.708 55.567 56.287 -0.020 0.000 0.849 2232 K CB 1.720 34.206 32.500 -0.023 0.000 1.100 2232 K HN 0.475 nan 8.250 nan 0.000 0.434 2233 E N 1.830 122.033 120.200 0.006 0.000 3.312 2233 E HA 0.125 4.464 4.350 -0.019 0.000 0.215 2233 E C 0.543 177.151 176.600 0.012 0.000 1.160 2233 E CA -0.141 56.265 56.400 0.010 0.000 1.267 2233 E CB 0.742 30.456 29.700 0.022 0.000 1.361 2233 E HN 1.007 nan 8.360 nan 0.000 0.433 2234 G N 2.593 111.396 108.800 0.005 0.000 4.230 2234 G HA2 -0.432 3.517 3.960 -0.019 0.000 0.340 2234 G HA3 -0.432 3.517 3.960 -0.019 0.000 0.340 2234 G C 1.165 176.071 174.900 0.009 0.000 1.315 2234 G CA 0.716 45.819 45.100 0.005 0.000 1.033 2234 G HN 0.451 nan 8.290 nan 0.000 0.741 2235 E N 1.889 122.099 120.200 0.016 0.000 2.021 2235 E HA -0.001 4.338 4.350 -0.019 0.000 0.189 2235 E C 1.186 177.806 176.600 0.032 0.000 0.980 2235 E CA 0.910 57.324 56.400 0.022 0.000 0.803 2235 E CB -0.376 29.340 29.700 0.026 0.000 0.766 2235 E HN 0.688 nan 8.360 nan 0.000 0.449 2236 N N 0.351 119.077 118.700 0.042 0.000 2.525 2236 N HA 0.111 4.840 4.740 -0.019 0.000 0.271 2236 N C -0.777 174.776 175.510 0.072 0.000 1.194 2236 N CA -0.142 52.949 53.050 0.068 0.000 0.964 2236 N CB 1.537 40.069 38.487 0.075 0.000 1.126 2236 N HN -0.199 nan 8.380 nan 0.000 0.452 2237 V N 2.209 122.197 119.914 0.124 0.000 2.320 2237 V HA 0.092 4.201 4.120 -0.019 0.000 0.265 2237 V C 0.601 176.846 176.094 0.251 0.000 1.048 2237 V CA -0.257 62.133 62.300 0.149 0.000 0.865 2237 V CB 1.023 32.946 31.823 0.167 0.000 1.043 2237 V HN 0.570 nan 8.190 nan 0.000 0.474 2238 V N 4.422 124.397 119.914 0.101 0.000 3.660 2238 V HA 0.624 4.733 4.120 -0.019 0.000 0.276 2238 V C 0.857 176.770 176.094 -0.302 0.000 1.317 2238 V CA 1.238 63.574 62.300 0.061 0.000 1.097 2238 V CB 0.249 32.094 31.823 0.036 0.000 0.863 2238 V HN 0.898 nan 8.190 nan 0.000 0.438 2239 G N -1.181 107.287 108.800 -0.553 0.000 2.506 2239 G HA2 0.462 4.411 3.960 -0.019 0.000 0.292 2239 G HA3 0.462 4.411 3.960 -0.019 0.000 0.292 2239 G C -1.442 173.139 174.900 -0.532 0.000 1.425 2239 G CA -0.295 44.208 45.100 -0.996 0.000 0.788 2239 G HN -0.009 nan 8.290 nan 0.000 0.490 2240 S N -0.063 115.434 115.700 -0.339 0.000 2.437 2240 S HA 0.490 4.949 4.470 -0.019 0.000 0.305 2240 S C -0.316 174.254 174.600 -0.051 0.000 1.109 2240 S CA -0.412 57.775 58.200 -0.022 0.000 1.099 2240 S CB 1.644 64.949 63.200 0.175 0.000 1.004 2240 S HN 0.583 nan 8.310 nan 0.000 0.475 2241 E N 2.221 122.384 120.200 -0.061 0.000 2.290 2241 E HA 0.314 4.653 4.350 -0.019 0.000 0.277 2241 E C -0.599 175.920 176.600 -0.134 0.000 1.035 2241 E CA 0.336 56.683 56.400 -0.089 0.000 0.873 2241 E CB 0.545 30.199 29.700 -0.076 0.000 1.029 2241 E HN 0.450 nan 8.360 nan 0.000 0.419 2242 T N 4.989 119.382 114.554 -0.268 0.000 2.876 2242 T HA 0.503 4.842 4.350 -0.019 0.000 0.289 2242 T C -0.743 173.630 174.700 -0.545 0.000 1.014 2242 T CA -0.756 61.092 62.100 -0.420 0.000 0.986 2242 T CB 1.241 69.754 68.868 -0.591 0.000 1.021 2242 T HN 0.321 nan 8.240 nan 0.000 0.458 2243 R N 2.146 122.427 120.500 -0.365 0.000 2.532 2243 R HA 0.670 4.999 4.340 -0.019 0.000 0.297 2243 R C -1.820 174.369 176.300 -0.185 0.000 0.984 2243 R CA -0.507 55.433 56.100 -0.267 0.000 0.884 2243 R CB 1.342 31.557 30.300 -0.143 0.000 1.182 2243 R HN 0.453 nan 8.270 nan 0.000 0.442 2244 V N 4.732 124.574 119.914 -0.120 0.000 2.448 2244 V HA 0.395 4.504 4.120 -0.019 0.000 0.295 2244 V C -0.200 175.885 176.094 -0.016 0.000 1.025 2244 V CA -0.812 61.469 62.300 -0.032 0.000 0.859 2244 V CB 1.759 33.630 31.823 0.081 0.000 0.988 2244 V HN 0.658 nan 8.190 nan 0.000 0.431 2245 K N 2.921 123.300 120.400 -0.034 0.000 2.159 2245 K HA 0.585 4.894 4.320 -0.019 0.000 0.266 2245 K C -0.890 175.684 176.600 -0.042 0.000 0.975 2245 K CA -0.682 55.600 56.287 -0.008 0.000 0.865 2245 K CB 2.206 34.722 32.500 0.026 0.000 1.087 2245 K HN 0.459 nan 8.250 nan 0.000 0.446 2246 V N 4.644 124.534 119.914 -0.039 0.000 2.338 2246 V HA -0.003 4.106 4.120 -0.019 0.000 0.255 2246 V C 1.119 177.097 176.094 -0.194 0.000 1.082 2246 V CA -0.062 62.170 62.300 -0.113 0.000 0.951 2246 V CB 0.742 32.492 31.823 -0.121 0.000 1.102 2246 V HN 0.667 nan 8.190 nan 0.000 0.489 2247 V N 3.741 123.559 119.914 -0.160 0.000 2.649 2247 V HA 0.065 4.174 4.120 -0.019 0.000 0.248 2247 V C 0.968 176.862 176.094 -0.334 0.000 1.054 2247 V CA 1.338 63.561 62.300 -0.129 0.000 1.073 2247 V CB -0.100 31.757 31.823 0.056 0.000 0.699 2247 V HN 0.783 nan 8.190 nan 0.000 0.463 2248 K N 0.753 120.989 120.400 -0.274 0.000 2.464 2248 K HA 0.411 4.720 4.320 -0.019 0.000 0.253 2248 K C -1.542 174.894 176.600 -0.274 0.000 0.933 2248 K CA -0.594 55.519 56.287 -0.291 0.000 0.801 2248 K CB 1.769 34.179 32.500 -0.150 0.000 1.271 2248 K HN 0.131 nan 8.250 nan 0.000 0.430 2249 N N 2.948 121.457 118.700 -0.317 0.000 2.519 2249 N HA 0.220 4.949 4.740 -0.019 0.000 0.291 2249 N C -0.943 174.405 175.510 -0.270 0.000 1.107 2249 N CA -0.377 52.511 53.050 -0.270 0.000 0.904 2249 N CB 1.721 40.025 38.487 -0.304 0.000 1.500 2249 N HN 0.640 nan 8.380 nan 0.000 0.510 2250 K N 2.381 122.662 120.400 -0.199 0.000 2.358 2250 K HA 0.295 4.604 4.320 -0.019 0.000 0.197 2250 K C 0.651 177.119 176.600 -0.221 0.000 1.025 2250 K CA 0.158 56.327 56.287 -0.198 0.000 1.104 2250 K CB 0.544 32.982 32.500 -0.103 0.000 0.855 2250 K HN 0.394 nan 8.250 nan 0.000 0.531 2251 I N -0.348 120.101 120.570 -0.202 0.000 4.312 2251 I HA 0.197 4.356 4.170 -0.019 0.000 0.324 2251 I C -0.056 175.965 176.117 -0.159 0.000 1.298 2251 I CA -0.077 61.134 61.300 -0.148 0.000 1.231 2251 I CB 1.206 39.151 38.000 -0.090 0.000 1.152 2251 I HN -0.057 nan 8.210 nan 0.000 0.421 2252 A N -0.329 122.369 122.820 -0.204 0.000 2.536 2252 A HA 0.839 5.148 4.320 -0.019 0.000 0.293 2252 A C -0.888 176.544 177.584 -0.254 0.000 1.119 2252 A CA -0.213 51.720 52.037 -0.174 0.000 0.654 2252 A CB -0.018 18.922 19.000 -0.099 0.000 1.291 2252 A HN 0.067 nan 8.150 nan 0.000 0.439 2253 A N 1.355 124.057 122.820 -0.195 0.000 2.540 2253 A HA 0.546 4.855 4.320 -0.019 0.000 0.239 2253 A C -1.989 175.406 177.584 -0.315 0.000 1.061 2253 A CA -0.250 51.613 52.037 -0.290 0.000 0.758 2253 A CB -0.749 18.218 19.000 -0.056 0.000 0.991 2253 A HN 0.546 nan 8.150 nan 0.000 0.502 2254 P HA 0.544 nan 4.420 nan 0.000 0.284 2254 P C -0.214 176.927 177.300 -0.265 0.000 1.292 2254 P CA -0.329 62.447 63.100 -0.540 0.000 0.800 2254 P CB 0.223 31.332 31.700 -0.985 0.000 1.188 2255 F N -4.421 115.498 119.950 -0.052 0.000 2.795 2255 F HA -0.195 4.321 4.527 -0.019 0.000 0.297 2255 F C 0.643 176.447 175.800 0.006 0.000 0.699 2255 F CA 0.682 58.679 58.000 -0.004 0.000 1.384 2255 F CB -2.402 36.620 39.000 0.037 0.000 1.672 2255 F HN 0.225 nan 8.300 nan 0.000 0.345 2256 K N 1.196 121.656 120.400 0.100 0.000 2.126 2256 K HA 0.546 4.855 4.320 -0.019 0.000 0.257 2256 K C 0.431 177.065 176.600 0.055 0.000 1.007 2256 K CA -0.415 55.916 56.287 0.074 0.000 0.928 2256 K CB 0.968 33.492 32.500 0.040 0.000 1.013 2256 K HN 0.422 nan 8.250 nan 0.000 0.473 2257 Q N -0.368 119.462 119.800 0.050 0.000 2.456 2257 Q HA 0.744 5.073 4.340 -0.019 0.000 0.283 2257 Q C -1.724 174.302 176.000 0.042 0.000 1.084 2257 Q CA -1.320 54.506 55.803 0.039 0.000 0.801 2257 Q CB 2.100 30.857 28.738 0.032 0.000 1.434 2257 Q HN 0.526 nan 8.270 nan 0.000 0.419 2258 A N 1.371 124.222 122.820 0.053 0.000 2.374 2258 A HA 0.578 4.887 4.320 -0.019 0.000 0.305 2258 A C -1.219 176.391 177.584 0.043 0.000 1.053 2258 A CA -0.678 51.419 52.037 0.100 0.000 0.726 2258 A CB 1.501 20.620 19.000 0.198 0.000 1.229 2258 A HN 0.718 nan 8.150 nan 0.000 0.431 2259 E N 1.237 121.456 120.200 0.032 0.000 2.187 2259 E HA 0.663 5.001 4.350 -0.019 0.000 0.268 2259 E C -1.237 175.376 176.600 0.021 0.000 0.896 2259 E CA -0.330 56.012 56.400 -0.098 0.000 0.766 2259 E CB 1.887 31.545 29.700 -0.071 0.000 1.142 2259 E HN 0.615 nan 8.360 nan 0.000 0.408 2260 F N -1.074 118.867 119.950 -0.016 0.000 2.923 2260 F HA 0.443 4.959 4.527 -0.019 0.000 0.323 2260 F C -1.129 174.661 175.800 -0.017 0.000 1.189 2260 F CA -1.250 56.737 58.000 -0.022 0.000 0.930 2260 F CB 0.998 39.985 39.000 -0.020 0.000 1.414 2260 F HN 0.130 nan 8.300 nan 0.000 0.496 2261 Q N 1.267 121.251 119.800 0.306 0.000 2.282 2261 Q HA 0.624 4.953 4.340 -0.019 0.000 0.260 2261 Q C -1.186 174.968 176.000 0.257 0.000 0.964 2261 Q CA -0.713 55.185 55.803 0.159 0.000 0.880 2261 Q CB 2.929 31.705 28.738 0.062 0.000 1.286 2261 Q HN 0.567 nan 8.270 nan 0.000 0.445 2262 I N 3.904 124.569 120.570 0.159 0.000 2.306 2262 I HA 0.217 4.376 4.170 -0.019 0.000 0.288 2262 I C -0.559 175.539 176.117 -0.031 0.000 1.036 2262 I CA -0.437 60.954 61.300 0.151 0.000 1.221 2262 I CB 0.574 38.712 38.000 0.229 0.000 1.385 2262 I HN 0.382 nan 8.210 nan 0.000 0.472 2263 L N 7.084 128.302 121.223 -0.008 0.000 2.281 2263 L HA 0.297 4.626 4.340 -0.019 0.000 0.285 2263 L C -0.491 176.410 176.870 0.052 0.000 1.074 2263 L CA -0.799 53.990 54.840 -0.084 0.000 0.817 2263 L CB 0.116 42.168 42.059 -0.012 0.000 1.168 2263 L HN 0.378 nan 8.230 nan 0.000 0.434 2264 Y N 2.104 122.500 120.300 0.160 0.000 2.717 2264 Y HA 0.173 4.712 4.550 -0.018 0.000 0.330 2264 Y C 1.515 177.549 175.900 0.222 0.000 1.217 2264 Y CA 0.434 58.660 58.100 0.211 0.000 1.506 2264 Y CB -0.041 38.513 38.460 0.157 0.000 1.268 2264 Y HN 0.858 nan 8.280 nan 0.000 0.561 2265 G N 1.803 110.927 108.800 0.539 0.000 2.184 2265 G HA2 -0.373 3.576 3.960 -0.019 0.000 0.264 2265 G HA3 -0.373 3.576 3.960 -0.019 0.000 0.264 2265 G C 0.942 175.891 174.900 0.081 0.000 0.975 2265 G CA 0.779 46.072 45.100 0.323 0.000 0.642 2265 G HN 0.658 nan 8.290 nan 0.000 0.536 2266 E N -1.095 119.152 120.200 0.080 0.000 2.357 2266 E HA 0.463 4.801 4.350 -0.019 0.000 0.202 2266 E C 1.386 177.976 176.600 -0.017 0.000 0.855 2266 E CA 1.308 57.719 56.400 0.019 0.000 1.048 2266 E CB 0.609 30.338 29.700 0.048 0.000 1.037 2266 E HN 1.664 nan 8.360 nan 0.000 0.499 2267 G N 0.640 109.457 108.800 0.029 0.000 2.342 2267 G HA2 -0.136 3.813 3.960 -0.019 0.000 0.220 2267 G HA3 -0.136 3.813 3.960 -0.019 0.000 0.220 2267 G C -0.739 174.194 174.900 0.055 0.000 1.243 2267 G CA -0.441 44.672 45.100 0.022 0.000 1.083 2267 G HN 0.158 nan 8.290 nan 0.000 0.500 2268 I N 1.458 122.040 120.570 0.020 0.000 2.683 2268 I HA 0.056 4.215 4.170 -0.019 0.000 0.286 2268 I C 0.656 176.786 176.117 0.021 0.000 1.175 2268 I CA -0.194 61.106 61.300 0.001 0.000 1.429 2268 I CB 0.664 38.544 38.000 -0.201 0.000 1.371 2268 I HN 0.453 nan 8.210 nan 0.000 0.569 2269 N N 6.518 125.257 118.700 0.064 0.000 2.605 2269 N HA -0.022 4.707 4.740 -0.019 0.000 0.258 2269 N C 0.462 175.988 175.510 0.027 0.000 1.156 2269 N CA 0.188 53.277 53.050 0.064 0.000 1.008 2269 N CB 0.000 38.529 38.487 0.070 0.000 1.354 2269 N HN 0.506 nan 8.380 nan 0.000 0.509 2270 F N 3.492 123.340 119.950 -0.171 0.000 2.128 2270 F HA -0.092 4.424 4.527 -0.019 0.000 0.295 2270 F C 0.887 176.533 175.800 -0.258 0.000 1.100 2270 F CA 1.399 59.223 58.000 -0.294 0.000 1.260 2270 F CB -0.082 38.634 39.000 -0.474 0.000 1.009 2270 F HN 0.425 nan 8.300 nan 0.000 0.476 2271 Y N 0.420 120.762 120.300 0.070 0.000 2.373 2271 Y HA 0.045 4.583 4.550 -0.019 0.000 0.293 2271 Y C 2.655 178.495 175.900 -0.101 0.000 1.129 2271 Y CA 0.862 58.947 58.100 -0.025 0.000 1.226 2271 Y CB -1.342 37.153 38.460 0.059 0.000 1.000 2271 Y HN 0.131 nan 8.280 nan 0.000 0.549 2272 G N 0.070 108.903 108.800 0.054 0.000 2.446 2272 G HA2 -0.274 3.674 3.960 -0.019 0.000 0.217 2272 G HA3 -0.274 3.674 3.960 -0.019 0.000 0.217 2272 G C 1.511 176.373 174.900 -0.063 0.000 1.168 2272 G CA 1.193 46.289 45.100 -0.007 0.000 0.771 2272 G HN 0.408 nan 8.290 nan 0.000 0.551 2273 E N -0.340 119.784 120.200 -0.128 0.000 2.058 2273 E HA -0.128 4.211 4.350 -0.019 0.000 0.194 2273 E C 2.421 178.902 176.600 -0.197 0.000 0.997 2273 E CA 0.849 57.149 56.400 -0.167 0.000 0.801 2273 E CB -0.235 29.299 29.700 -0.276 0.000 0.746 2273 E HN 0.296 nan 8.360 nan 0.000 0.450 2274 L N 0.752 121.799 121.223 -0.294 0.000 2.042 2274 L HA -0.195 4.133 4.340 -0.019 0.000 0.210 2274 L C 2.236 179.057 176.870 -0.083 0.000 1.076 2274 L CA 1.404 56.115 54.840 -0.214 0.000 0.749 2274 L CB -0.434 41.518 42.059 -0.179 0.000 0.893 2274 L HN -0.018 nan 8.230 nan 0.000 0.432 2275 V N -0.230 119.649 119.914 -0.059 0.000 2.233 2275 V HA -0.339 3.770 4.120 -0.019 0.000 0.247 2275 V C 2.308 178.402 176.094 -0.000 0.000 1.050 2275 V CA 2.123 64.393 62.300 -0.050 0.000 1.010 2275 V CB -0.789 30.946 31.823 -0.147 0.000 0.637 2275 V HN 0.436 nan 8.190 nan 0.000 0.444 2276 D N -0.157 120.238 120.400 -0.009 0.000 2.123 2276 D HA -0.129 4.500 4.640 -0.019 0.000 0.196 2276 D C 2.077 178.390 176.300 0.022 0.000 0.992 2276 D CA 0.997 55.012 54.000 0.026 0.000 0.833 2276 D CB -0.292 40.516 40.800 0.013 0.000 0.954 2276 D HN 0.173 nan 8.370 nan 0.000 0.455 2277 L N 0.549 121.765 121.223 -0.011 0.000 2.093 2277 L HA -0.020 4.309 4.340 -0.019 0.000 0.208 2277 L C 2.477 179.355 176.870 0.014 0.000 1.085 2277 L CA 1.520 56.354 54.840 -0.009 0.000 0.755 2277 L CB -1.593 40.438 42.059 -0.046 0.000 0.904 2277 L HN 0.076 nan 8.230 nan 0.000 0.435 2278 G N -0.888 107.923 108.800 0.018 0.000 2.421 2278 G HA2 -0.176 3.773 3.960 -0.019 0.000 0.216 2278 G HA3 -0.176 3.773 3.960 -0.019 0.000 0.216 2278 G C 1.767 176.717 174.900 0.082 0.000 1.171 2278 G CA 0.906 46.035 45.100 0.048 0.000 0.775 2278 G HN 0.241 nan 8.290 nan 0.000 0.543 2279 V N 0.799 120.772 119.914 0.099 0.000 2.343 2279 V HA -0.152 3.957 4.120 -0.019 0.000 0.247 2279 V C 2.711 178.849 176.094 0.074 0.000 1.051 2279 V CA 2.219 64.587 62.300 0.114 0.000 1.036 2279 V CB -0.349 31.574 31.823 0.167 0.000 0.654 2279 V HN 0.399 nan 8.190 nan 0.000 0.451 2280 K N -0.176 120.260 120.400 0.059 0.000 2.097 2280 K HA -0.181 4.128 4.320 -0.019 0.000 0.206 2280 K C 1.687 178.311 176.600 0.040 0.000 1.049 2280 K CA 1.336 57.649 56.287 0.043 0.000 0.933 2280 K CB 0.007 32.527 32.500 0.034 0.000 0.717 2280 K HN 0.358 nan 8.250 nan 0.000 0.442 2281 E N 0.846 121.073 120.200 0.045 0.000 2.437 2281 E HA -0.009 4.330 4.350 -0.019 0.000 0.189 2281 E C -0.255 176.377 176.600 0.054 0.000 1.054 2281 E CA 0.121 56.548 56.400 0.045 0.000 0.874 2281 E CB 0.480 30.207 29.700 0.044 0.000 1.011 2281 E HN 0.180 nan 8.360 nan 0.000 0.474 2282 K N -0.126 120.309 120.400 0.058 0.000 3.088 2282 K HA -0.202 4.107 4.320 -0.019 0.000 0.273 2282 K C 0.935 177.585 176.600 0.082 0.000 1.111 2282 K CA 0.467 56.790 56.287 0.060 0.000 0.803 2282 K CB -2.187 30.338 32.500 0.041 0.000 1.226 2282 K HN 0.275 nan 8.250 nan 0.000 0.485 2283 L N -0.497 120.794 121.223 0.113 0.000 2.298 2283 L HA 0.204 4.533 4.340 -0.019 0.000 0.209 2283 L C 1.178 178.207 176.870 0.266 0.000 1.084 2283 L CA 0.545 55.493 54.840 0.180 0.000 0.816 2283 L CB 0.131 42.299 42.059 0.181 0.000 0.967 2283 L HN 0.116 nan 8.230 nan 0.000 0.460 2284 I N -0.207 120.486 120.570 0.205 0.000 2.404 2284 I HA 0.200 4.359 4.170 -0.019 0.000 0.293 2284 I C -0.180 176.031 176.117 0.157 0.000 0.992 2284 I CA -0.611 60.827 61.300 0.231 0.000 1.149 2284 I CB 2.131 40.257 38.000 0.210 0.000 1.315 2284 I HN -0.105 nan 8.210 nan 0.000 0.446 2285 E N 5.651 125.927 120.200 0.127 0.000 2.331 2285 E HA 0.227 4.566 4.350 -0.019 0.000 0.272 2285 E C -0.690 175.916 176.600 0.009 0.000 1.036 2285 E CA -0.199 56.234 56.400 0.054 0.000 0.864 2285 E CB 0.924 30.641 29.700 0.027 0.000 1.035 2285 E HN 0.290 nan 8.360 nan 0.000 0.408 2286 K N 2.659 123.018 120.400 -0.069 0.000 2.572 2286 K HA 0.494 4.803 4.320 -0.019 0.000 0.244 2286 K C -1.610 174.900 176.600 -0.149 0.000 0.965 2286 K CA -0.618 55.527 56.287 -0.237 0.000 0.943 2286 K CB 1.085 33.392 32.500 -0.322 0.000 1.154 2286 K HN 0.506 nan 8.250 nan 0.000 0.447 2287 A N 3.446 126.209 122.820 -0.095 0.000 2.880 2287 A HA 0.549 4.858 4.320 -0.019 0.000 0.328 2287 A C 0.871 178.453 177.584 -0.003 0.000 1.440 2287 A CA 0.390 52.412 52.037 -0.025 0.000 1.068 2287 A CB -0.226 18.783 19.000 0.015 0.000 1.163 2287 A HN 1.044 nan 8.150 nan 0.000 0.510 2288 G N 1.565 110.333 108.800 -0.054 0.000 3.274 2288 G HA2 -0.120 3.829 3.960 -0.019 0.000 0.313 2288 G HA3 -0.120 3.829 3.960 -0.019 0.000 0.313 2288 G C 1.321 176.152 174.900 -0.115 0.000 1.295 2288 G CA 0.850 45.922 45.100 -0.048 0.000 1.004 2288 G HN 1.913 nan 8.290 nan 0.000 0.614 2289 A N -0.871 121.891 122.820 -0.098 0.000 2.343 2289 A HA 0.528 4.837 4.320 -0.019 0.000 0.223 2289 A C 0.569 177.992 177.584 -0.268 0.000 1.214 2289 A CA 0.439 52.365 52.037 -0.186 0.000 0.900 2289 A CB 0.095 18.985 19.000 -0.183 0.000 0.942 2289 A HN 0.573 nan 8.150 nan 0.000 0.507 2290 W N 0.046 121.251 121.300 -0.158 0.000 2.358 2290 W HA 0.495 5.144 4.660 -0.018 0.000 0.307 2290 W C -0.832 175.564 176.519 -0.206 0.000 1.203 2290 W CA -0.093 57.191 57.345 -0.103 0.000 1.279 2290 W CB 0.324 29.742 29.460 -0.069 0.000 1.264 2290 W HN 0.238 nan 8.180 nan 0.000 0.474 2291 Y N 2.951 123.374 120.300 0.206 0.000 2.341 2291 Y HA 0.368 4.907 4.550 -0.019 0.000 0.340 2291 Y C 0.551 176.504 175.900 0.089 0.000 0.997 2291 Y CA -0.233 57.928 58.100 0.102 0.000 1.149 2291 Y CB 1.004 39.475 38.460 0.019 0.000 1.171 2291 Y HN 0.144 nan 8.280 nan 0.000 0.494 2292 S N 2.899 118.698 115.700 0.164 0.000 2.532 2292 S HA 0.437 4.896 4.470 -0.019 0.000 0.301 2292 S C -1.790 172.873 174.600 0.106 0.000 1.083 2292 S CA -0.798 57.443 58.200 0.068 0.000 1.025 2292 S CB 1.329 64.537 63.200 0.013 0.000 1.056 2292 S HN 0.502 nan 8.310 nan 0.000 0.494 2293 Y N 2.463 122.690 120.300 -0.121 0.000 2.326 2293 Y HA 0.360 4.899 4.550 -0.018 0.000 0.329 2293 Y C -0.069 175.803 175.900 -0.047 0.000 0.973 2293 Y CA -1.077 56.977 58.100 -0.076 0.000 1.162 2293 Y CB 0.496 38.892 38.460 -0.105 0.000 1.147 2293 Y HN 0.806 nan 8.280 nan 0.000 0.456 2294 K N 5.042 125.142 120.400 -0.500 0.000 3.278 2294 K HA -0.263 4.046 4.320 -0.019 0.000 0.270 2294 K C 0.987 177.461 176.600 -0.209 0.000 0.955 2294 K CA 0.983 57.016 56.287 -0.422 0.000 0.723 2294 K CB -1.626 30.506 32.500 -0.614 0.000 1.382 2294 K HN 1.325 nan 8.250 nan 0.000 0.461 2295 G N 0.211 108.928 108.800 -0.138 0.000 2.417 2295 G HA2 -0.398 3.551 3.960 -0.019 0.000 0.233 2295 G HA3 -0.398 3.551 3.960 -0.019 0.000 0.233 2295 G C 0.002 174.846 174.900 -0.093 0.000 1.103 2295 G CA 0.517 45.557 45.100 -0.099 0.000 0.647 2295 G HN 0.550 nan 8.290 nan 0.000 0.512 2296 E N 1.894 122.041 120.200 -0.088 0.000 2.316 2296 E HA 0.339 4.678 4.350 -0.019 0.000 0.275 2296 E C 0.116 176.649 176.600 -0.112 0.000 1.029 2296 E CA -0.361 55.992 56.400 -0.077 0.000 0.871 2296 E CB 0.244 29.927 29.700 -0.028 0.000 1.022 2296 E HN 0.379 nan 8.360 nan 0.000 0.418 2297 K N 4.971 125.302 120.400 -0.115 0.000 2.322 2297 K HA 0.148 4.457 4.320 -0.019 0.000 0.283 2297 K C 0.949 177.455 176.600 -0.156 0.000 1.042 2297 K CA -0.024 56.216 56.287 -0.078 0.000 0.958 2297 K CB 0.790 33.215 32.500 -0.125 0.000 0.984 2297 K HN 0.568 nan 8.250 nan 0.000 0.473 2298 I N -1.843 118.583 120.570 -0.241 0.000 4.181 2298 I HA 0.307 4.466 4.170 -0.019 0.000 0.331 2298 I C 0.552 176.516 176.117 -0.255 0.000 1.312 2298 I CA -0.310 60.552 61.300 -0.730 0.000 1.146 2298 I CB 0.969 38.171 38.000 -1.331 0.000 1.074 2298 I HN 0.593 nan 8.210 nan 0.000 0.402 2299 G N 1.159 110.002 108.800 0.072 0.000 2.361 2299 G HA2 0.211 4.160 3.960 -0.019 0.000 0.299 2299 G HA3 0.211 4.160 3.960 -0.019 0.000 0.299 2299 G C -2.146 172.707 174.900 -0.079 0.000 1.544 2299 G CA -0.694 44.436 45.100 0.049 0.000 0.860 2299 G HN 0.194 nan 8.290 nan 0.000 0.610 2300 Q N 0.195 119.742 119.800 -0.421 0.000 2.325 2300 Q HA 0.557 4.886 4.340 -0.019 0.000 0.262 2300 Q C 0.358 176.208 176.000 -0.250 0.000 0.968 2300 Q CA 0.424 55.818 55.803 -0.682 0.000 0.877 2300 Q CB 1.261 29.268 28.738 -1.218 0.000 1.253 2300 Q HN 2.404 nan 8.270 nan 0.000 0.448 2301 G N 3.010 111.793 108.800 -0.028 0.000 2.767 2301 G HA2 -0.260 3.689 3.960 -0.019 0.000 0.686 2301 G HA3 -0.260 3.689 3.960 -0.019 0.000 0.686 2301 G C 0.086 174.996 174.900 0.017 0.000 1.213 2301 G CA 0.017 45.161 45.100 0.074 0.000 0.803 2301 G HN 0.814 nan 8.290 nan 0.000 0.603 2302 K N 1.151 121.555 120.400 0.006 0.000 2.127 2302 K HA -0.103 4.206 4.320 -0.019 0.000 0.208 2302 K C 2.931 179.409 176.600 -0.203 0.000 1.047 2302 K CA 2.596 58.719 56.287 -0.274 0.000 0.927 2302 K CB -0.324 32.119 32.500 -0.094 0.000 0.716 2302 K HN 1.168 nan 8.250 nan 0.000 0.450 2303 A N 1.198 123.959 122.820 -0.098 0.000 1.873 2303 A HA -0.263 4.046 4.320 -0.019 0.000 0.218 2303 A C 1.779 179.324 177.584 -0.064 0.000 1.193 2303 A CA 2.234 54.233 52.037 -0.064 0.000 0.629 2303 A CB -0.878 18.098 19.000 -0.039 0.000 0.826 2303 A HN 0.556 nan 8.150 nan 0.000 0.447 2304 N N -0.347 118.308 118.700 -0.075 0.000 2.216 2304 N HA 0.054 4.782 4.740 -0.019 0.000 0.183 2304 N C 1.915 177.411 175.510 -0.023 0.000 1.017 2304 N CA 1.034 54.060 53.050 -0.040 0.000 0.861 2304 N CB -0.257 38.199 38.487 -0.051 0.000 0.986 2304 N HN 0.486 nan 8.380 nan 0.000 0.428 2305 A N 0.393 123.132 122.820 -0.135 0.000 1.933 2305 A HA -0.155 4.154 4.320 -0.019 0.000 0.218 2305 A C 2.214 179.770 177.584 -0.046 0.000 1.175 2305 A CA 1.787 53.731 52.037 -0.155 0.000 0.628 2305 A CB -1.041 17.623 19.000 -0.560 0.000 0.814 2305 A HN 0.234 nan 8.150 nan 0.000 0.444 2306 T N 0.339 114.842 114.554 -0.085 0.000 2.746 2306 T HA -0.034 4.305 4.350 -0.019 0.000 0.267 2306 T C 2.212 176.898 174.700 -0.023 0.000 1.039 2306 T CA 1.605 63.695 62.100 -0.017 0.000 1.142 2306 T CB -0.457 68.408 68.868 -0.004 0.000 0.866 2306 T HN 0.607 nan 8.240 nan 0.000 0.444 2307 A N 0.187 123.003 122.820 -0.007 0.000 1.972 2307 A HA -0.093 4.216 4.320 -0.019 0.000 0.219 2307 A C 2.038 179.609 177.584 -0.022 0.000 1.169 2307 A CA 1.339 53.362 52.037 -0.022 0.000 0.635 2307 A CB -1.078 17.927 19.000 0.007 0.000 0.810 2307 A HN 0.703 nan 8.150 nan 0.000 0.446 2308 W N 0.434 121.661 121.300 -0.121 0.000 2.388 2308 W HA -0.099 4.550 4.660 -0.019 0.000 0.294 2308 W C 1.715 178.135 176.519 -0.166 0.000 1.212 2308 W CA 1.736 59.019 57.345 -0.103 0.000 1.271 2308 W CB -0.161 29.268 29.460 -0.050 0.000 1.126 2308 W HN 0.253 nan 8.180 nan 0.000 0.535 2309 L N 0.425 121.623 121.223 -0.042 0.000 2.156 2309 L HA -0.175 4.154 4.340 -0.019 0.000 0.208 2309 L C 2.467 178.892 176.870 -0.741 0.000 1.095 2309 L CA 1.301 55.962 54.840 -0.298 0.000 0.770 2309 L CB -0.752 41.245 42.059 -0.103 0.000 0.914 2309 L HN -0.113 nan 8.230 nan 0.000 0.439 2310 K N 0.100 119.999 120.400 -0.835 0.000 2.063 2310 K HA -0.216 4.092 4.320 -0.019 0.000 0.208 2310 K C 1.615 177.944 176.600 -0.452 0.000 1.048 2310 K CA 1.893 57.729 56.287 -0.753 0.000 0.928 2310 K CB -0.156 32.103 32.500 -0.401 0.000 0.713 2310 K HN 0.227 nan 8.250 nan 0.000 0.442 2311 D N 0.309 120.456 120.400 -0.422 0.000 2.178 2311 D HA -0.066 4.563 4.640 -0.019 0.000 0.202 2311 D C -0.184 175.837 176.300 -0.464 0.000 0.974 2311 D CA 0.963 54.730 54.000 -0.389 0.000 0.841 2311 D CB 0.005 40.576 40.800 -0.382 0.000 0.953 2311 D HN 0.139 nan 8.370 nan 0.000 0.478 2312 N N 0.033 118.346 118.700 -0.644 0.000 2.976 2312 N HA 0.203 4.932 4.740 -0.019 0.000 0.255 2312 N C -2.180 173.115 175.510 -0.357 0.000 1.312 2312 N CA -1.091 51.612 53.050 -0.579 0.000 0.897 2312 N CB 1.711 39.600 38.487 -0.997 0.000 1.184 2312 N HN -0.031 nan 8.380 nan 0.000 0.497 2313 P HA -0.110 nan 4.420 nan 0.000 0.221 2313 P C 0.883 178.159 177.300 -0.040 0.000 1.150 2313 P CA 1.015 64.058 63.100 -0.095 0.000 0.800 2313 P CB 0.454 32.118 31.700 -0.059 0.000 0.787 2314 E N -0.546 119.616 120.200 -0.064 0.000 2.072 2314 E HA -0.094 4.245 4.350 -0.019 0.000 0.191 2314 E C 1.733 178.336 176.600 0.006 0.000 0.985 2314 E CA 1.482 57.870 56.400 -0.020 0.000 0.801 2314 E CB -1.786 27.901 29.700 -0.021 0.000 0.750 2314 E HN 0.258 nan 8.360 nan 0.000 0.452 2315 T N 1.707 116.248 114.554 -0.021 0.000 2.857 2315 T HA 0.018 4.357 4.350 -0.019 0.000 0.266 2315 T C 2.075 176.777 174.700 0.004 0.000 1.048 2315 T CA 1.306 63.423 62.100 0.028 0.000 1.139 2315 T CB -0.235 68.667 68.868 0.057 0.000 0.874 2315 T HN 0.311 nan 8.240 nan 0.000 0.455 2316 A N 2.341 125.162 122.820 0.002 0.000 1.883 2316 A HA -0.150 4.159 4.320 -0.019 0.000 0.217 2316 A C 2.315 179.970 177.584 0.120 0.000 1.186 2316 A CA 1.282 53.376 52.037 0.096 0.000 0.624 2316 A CB -0.368 18.765 19.000 0.222 0.000 0.822 2316 A HN 0.206 nan 8.150 nan 0.000 0.444 2317 K N -0.194 120.266 120.400 0.100 0.000 2.063 2317 K HA -0.198 4.110 4.320 -0.019 0.000 0.208 2317 K C 1.935 178.579 176.600 0.074 0.000 1.048 2317 K CA 1.663 58.002 56.287 0.087 0.000 0.928 2317 K CB -0.484 32.050 32.500 0.056 0.000 0.713 2317 K HN 0.794 nan 8.250 nan 0.000 0.442 2318 E N 0.658 120.900 120.200 0.069 0.000 2.051 2318 E HA -0.143 4.196 4.350 -0.019 0.000 0.192 2318 E C 2.123 178.771 176.600 0.080 0.000 0.991 2318 E CA 0.957 57.406 56.400 0.083 0.000 0.799 2318 E CB -0.024 29.745 29.700 0.114 0.000 0.748 2318 E HN 0.232 nan 8.360 nan 0.000 0.449 2319 I N 0.963 121.559 120.570 0.044 0.000 2.252 2319 I HA -0.231 3.927 4.170 -0.019 0.000 0.245 2319 I C 2.709 178.851 176.117 0.041 0.000 1.102 2319 I CA 1.140 62.454 61.300 0.023 0.000 1.385 2319 I CB -0.409 37.541 38.000 -0.084 0.000 1.064 2319 I HN 0.246 nan 8.210 nan 0.000 0.414 2320 E N 1.693 121.926 120.200 0.056 0.000 2.058 2320 E HA -0.312 4.027 4.350 -0.019 0.000 0.194 2320 E C 2.245 178.880 176.600 0.058 0.000 0.997 2320 E CA 1.568 58.005 56.400 0.062 0.000 0.801 2320 E CB -0.012 29.767 29.700 0.132 0.000 0.746 2320 E HN 0.326 nan 8.360 nan 0.000 0.450 2321 K N 0.634 121.072 120.400 0.063 0.000 2.063 2321 K HA -0.217 4.092 4.320 -0.019 0.000 0.208 2321 K C 2.128 178.758 176.600 0.050 0.000 1.048 2321 K CA 1.737 58.056 56.287 0.054 0.000 0.928 2321 K CB 0.032 32.563 32.500 0.053 0.000 0.713 2321 K HN -0.039 nan 8.250 nan 0.000 0.442 2322 K N -0.031 120.404 120.400 0.057 0.000 2.057 2322 K HA -0.073 4.235 4.320 -0.019 0.000 0.206 2322 K C 1.970 178.598 176.600 0.047 0.000 1.050 2322 K CA 1.141 57.463 56.287 0.058 0.000 0.935 2322 K CB 0.052 32.599 32.500 0.079 0.000 0.715 2322 K HN -0.036 nan 8.250 nan 0.000 0.439 2323 V N 1.318 121.256 119.914 0.040 0.000 2.287 2323 V HA -0.281 3.828 4.120 -0.019 0.000 0.248 2323 V C 2.191 178.299 176.094 0.023 0.000 1.053 2323 V CA 1.762 64.078 62.300 0.026 0.000 1.027 2323 V CB -0.436 31.390 31.823 0.005 0.000 0.646 2323 V HN 0.281 nan 8.190 nan 0.000 0.447 2324 R N -0.250 120.265 120.500 0.026 0.000 2.073 2324 R HA -0.184 4.145 4.340 -0.019 0.000 0.234 2324 R C 2.354 178.670 176.300 0.027 0.000 1.134 2324 R CA 1.815 57.930 56.100 0.026 0.000 0.952 2324 R CB -0.350 29.969 30.300 0.031 0.000 0.850 2324 R HN 0.604 nan 8.270 nan 0.000 0.433 2325 E N 0.603 120.821 120.200 0.031 0.000 2.085 2325 E HA -0.205 4.134 4.350 -0.019 0.000 0.194 2325 E C 2.019 178.636 176.600 0.029 0.000 0.994 2325 E CA 1.159 57.577 56.400 0.030 0.000 0.801 2325 E CB -0.097 29.622 29.700 0.033 0.000 0.743 2325 E HN 0.281 nan 8.360 nan 0.000 0.453 2326 L N 0.006 121.247 121.223 0.031 0.000 2.093 2326 L HA -0.142 4.187 4.340 -0.019 0.000 0.208 2326 L C 2.050 178.936 176.870 0.028 0.000 1.085 2326 L CA 0.883 55.742 54.840 0.030 0.000 0.755 2326 L CB 0.023 42.101 42.059 0.033 0.000 0.904 2326 L HN 0.167 nan 8.230 nan 0.000 0.435 2327 L N -1.477 119.761 121.223 0.025 0.000 2.749 2327 L HA 0.196 4.525 4.340 -0.019 0.000 0.242 2327 L C 0.381 177.264 176.870 0.023 0.000 1.103 2327 L CA -0.286 54.568 54.840 0.024 0.000 0.906 2327 L CB 0.540 42.611 42.059 0.020 0.000 1.228 2327 L HN 0.054 nan 8.230 nan 0.000 0.517 2328 L N 1.400 122.636 121.223 0.022 0.000 2.360 2328 L HA 0.145 4.474 4.340 -0.019 0.000 0.276 2328 L C 0.366 177.250 176.870 0.024 0.000 1.121 2328 L CA -0.076 54.776 54.840 0.020 0.000 0.845 2328 L CB 1.030 43.100 42.059 0.018 0.000 1.143 2328 L HN 0.159 nan 8.230 nan 0.000 0.452 2329 S N 3.480 119.194 115.700 0.024 0.000 2.488 2329 S HA 0.424 4.883 4.470 -0.019 0.000 0.310 2329 S C -0.099 174.517 174.600 0.026 0.000 1.093 2329 S CA -0.695 57.524 58.200 0.031 0.000 1.129 2329 S CB 0.452 63.676 63.200 0.041 0.000 0.989 2329 S HN 0.773 nan 8.310 nan 0.000 0.479 2330 N N 1.114 119.829 118.700 0.026 0.000 4.977 2330 N HA -0.043 4.686 4.740 -0.019 0.000 0.292 2330 N C -3.217 172.302 175.510 0.015 0.000 0.885 2330 N CA -0.201 52.862 53.050 0.022 0.000 0.656 2330 N CB -0.917 37.577 38.487 0.013 0.000 1.689 2330 N HN 0.430 nan 8.380 nan 0.000 0.687 2331 P HA 0.273 nan 4.420 nan 0.000 0.272 2331 P C 0.581 177.888 177.300 0.012 0.000 1.230 2331 P CA 0.070 63.179 63.100 0.015 0.000 0.788 2331 P CB 1.045 32.755 31.700 0.017 0.000 0.949 2332 N N -0.548 118.158 118.700 0.010 0.000 3.225 2332 N HA 0.057 4.786 4.740 -0.019 0.000 0.250 2332 N C -0.431 175.082 175.510 0.006 0.000 0.980 2332 N CA 1.105 54.160 53.050 0.007 0.000 1.117 2332 N CB 0.008 38.497 38.487 0.003 0.000 1.488 2332 N HN 0.552 nan 8.380 nan 0.000 0.833 3002 I N 1.397 121.967 120.570 -0.001 0.000 2.494 3002 I HA 0.010 4.169 4.170 -0.019 0.000 0.250 3002 I C 1.822 177.938 176.117 -0.001 0.000 1.112 3002 I CA 1.508 62.807 61.300 -0.000 0.000 1.438 3002 I CB -0.185 37.815 38.000 -0.001 0.000 1.111 3002 I HN 0.425 nan 8.210 nan 0.000 0.431 3003 D N 0.638 121.037 120.400 -0.002 0.000 2.348 3003 D HA -0.105 4.524 4.640 -0.019 0.000 0.211 3003 D C 1.618 177.916 176.300 -0.002 0.000 0.998 3003 D CA 0.595 54.593 54.000 -0.003 0.000 0.873 3003 D CB -0.274 40.523 40.800 -0.005 0.000 0.925 3003 D HN 0.335 nan 8.370 nan 0.000 0.524 3004 E N 0.072 120.271 120.200 -0.002 0.000 2.158 3004 E HA -0.011 4.328 4.350 -0.019 0.000 0.191 3004 E C 1.644 178.244 176.600 -0.000 0.000 0.982 3004 E CA 0.385 56.784 56.400 -0.001 0.000 0.823 3004 E CB 0.006 29.705 29.700 -0.001 0.000 0.766 3004 E HN 0.164 nan 8.360 nan 0.000 0.468 3005 N N 0.893 119.594 118.700 0.000 0.000 2.244 3005 N HA -0.123 4.606 4.740 -0.019 0.000 0.183 3005 N C 1.389 176.900 175.510 0.001 0.000 1.016 3005 N CA 0.940 53.990 53.050 0.001 0.000 0.866 3005 N CB 0.057 38.545 38.487 0.002 0.000 0.980 3005 N HN 0.150 nan 8.380 nan 0.000 0.430 3006 K N 0.964 121.364 120.400 0.000 0.000 2.026 3006 K HA -0.085 4.224 4.320 -0.019 0.000 0.208 3006 K C 2.053 178.653 176.600 -0.000 0.000 1.048 3006 K CA 1.026 57.313 56.287 -0.000 0.000 0.929 3006 K CB -0.060 32.439 32.500 -0.002 0.000 0.713 3006 K HN 0.290 nan 8.250 nan 0.000 0.439 3007 Q N 0.693 120.493 119.800 -0.000 0.000 2.119 3007 Q HA -0.160 4.168 4.340 -0.019 0.000 0.201 3007 Q C 2.111 178.112 176.000 0.001 0.000 0.972 3007 Q CA 1.169 56.972 55.803 0.000 0.000 0.847 3007 Q CB -0.044 28.694 28.738 -0.001 0.000 0.903 3007 Q HN 0.230 nan 8.270 nan 0.000 0.433 3008 K N 0.735 121.136 120.400 0.001 0.000 2.044 3008 K HA -0.191 4.118 4.320 -0.019 0.000 0.210 3008 K C 1.909 178.511 176.600 0.003 0.000 1.049 3008 K CA 1.461 57.749 56.287 0.002 0.000 0.927 3008 K CB -0.126 32.375 32.500 0.002 0.000 0.713 3008 K HN 0.164 nan 8.250 nan 0.000 0.443 3009 A N 0.779 123.601 122.820 0.003 0.000 2.016 3009 A HA -0.020 4.289 4.320 -0.019 0.000 0.217 3009 A C 1.955 179.542 177.584 0.005 0.000 1.162 3009 A CA 0.708 52.747 52.037 0.004 0.000 0.662 3009 A CB -0.361 18.641 19.000 0.004 0.000 0.812 3009 A HN 0.393 nan 8.150 nan 0.000 0.450 3010 L N -0.068 121.157 121.223 0.004 0.000 1.988 3010 L HA -0.022 4.307 4.340 -0.019 0.000 0.207 3010 L C 2.669 179.544 176.870 0.008 0.000 1.071 3010 L CA 2.252 57.095 54.840 0.005 0.000 0.744 3010 L CB -0.684 41.377 42.059 0.003 0.000 0.893 3010 L HN 0.290 nan 8.230 nan 0.000 0.433 3011 A N -0.278 122.546 122.820 0.006 0.000 1.940 3011 A HA -0.193 4.116 4.320 -0.019 0.000 0.219 3011 A C 2.446 180.035 177.584 0.008 0.000 1.176 3011 A CA 2.026 54.067 52.037 0.007 0.000 0.631 3011 A CB -1.315 17.689 19.000 0.005 0.000 0.814 3011 A HN 0.654 nan 8.150 nan 0.000 0.446 3012 A N -0.275 122.549 122.820 0.007 0.000 1.908 3012 A HA 0.117 4.426 4.320 -0.019 0.000 0.218 3012 A C 2.495 180.086 177.584 0.010 0.000 1.181 3012 A CA 2.259 54.300 52.037 0.007 0.000 0.627 3012 A CB -0.947 18.057 19.000 0.005 0.000 0.818 3012 A HN 1.075 nan 8.150 nan 0.000 0.445 3013 A N -0.924 121.904 122.820 0.014 0.000 1.897 3013 A HA 0.113 4.422 4.320 -0.019 0.000 0.215 3013 A C 2.033 179.634 177.584 0.030 0.000 1.181 3013 A CA 1.448 53.498 52.037 0.021 0.000 0.620 3013 A CB -0.524 18.488 19.000 0.020 0.000 0.821 3013 A HN 0.383 nan 8.150 nan 0.000 0.443 3014 L N 0.052 121.291 121.223 0.026 0.000 2.046 3014 L HA -0.085 4.244 4.340 -0.019 0.000 0.208 3014 L C 2.727 179.616 176.870 0.032 0.000 1.077 3014 L CA 1.870 56.729 54.840 0.032 0.000 0.747 3014 L CB -0.901 41.172 42.059 0.023 0.000 0.896 3014 L HN 0.415 nan 8.230 nan 0.000 0.432 3015 G N -1.364 107.448 108.800 0.020 0.000 2.421 3015 G HA2 -0.351 3.598 3.960 -0.019 0.000 0.216 3015 G HA3 -0.351 3.598 3.960 -0.019 0.000 0.216 3015 G C 1.497 176.402 174.900 0.009 0.000 1.171 3015 G CA 0.888 45.996 45.100 0.013 0.000 0.775 3015 G HN 0.431 nan 8.290 nan 0.000 0.543 3016 Q N 0.626 120.431 119.800 0.009 0.000 2.096 3016 Q HA -0.065 4.264 4.340 -0.019 0.000 0.204 3016 Q C 2.306 178.306 176.000 -0.001 0.000 0.982 3016 Q CA 1.565 57.366 55.803 -0.004 0.000 0.850 3016 Q CB -0.486 28.254 28.738 0.004 0.000 0.901 3016 Q HN 0.538 nan 8.270 nan 0.000 0.422 3017 I N 0.379 120.983 120.570 0.056 0.000 2.179 3017 I HA -0.231 3.928 4.170 -0.019 0.000 0.242 3017 I C 2.325 178.524 176.117 0.136 0.000 1.088 3017 I CA 1.611 63.001 61.300 0.151 0.000 1.357 3017 I CB -0.352 37.753 38.000 0.175 0.000 1.051 3017 I HN 0.332 nan 8.210 nan 0.000 0.409 3018 E N 0.627 120.875 120.200 0.081 0.000 2.106 3018 E HA -0.236 4.103 4.350 -0.019 0.000 0.192 3018 E C 2.088 178.698 176.600 0.018 0.000 0.984 3018 E CA 0.855 57.295 56.400 0.066 0.000 0.806 3018 E CB -0.066 29.662 29.700 0.047 0.000 0.750 3018 E HN 0.379 nan 8.360 nan 0.000 0.458 3019 K N 0.670 121.058 120.400 -0.020 0.000 2.217 3019 K HA -0.116 4.192 4.320 -0.019 0.000 0.202 3019 K C 2.079 178.604 176.600 -0.126 0.000 1.051 3019 K CA 0.809 57.063 56.287 -0.054 0.000 0.952 3019 K CB 0.203 32.673 32.500 -0.050 0.000 0.736 3019 K HN 0.095 nan 8.250 nan 0.000 0.453 3020 Q N -1.149 118.516 119.800 -0.224 0.000 2.165 3020 Q HA -0.013 4.316 4.340 -0.019 0.000 0.197 3020 Q C 0.479 176.103 176.000 -0.627 0.000 0.952 3020 Q CA 0.903 56.388 55.803 -0.531 0.000 0.848 3020 Q CB 0.399 28.612 28.738 -0.875 0.000 0.931 3020 Q HN 0.221 nan 8.270 nan 0.000 0.470 3021 F N -0.353 119.602 119.950 0.008 0.000 2.735 3021 F HA 0.378 4.894 4.527 -0.019 0.000 0.304 3021 F C 0.756 176.563 175.800 0.013 0.000 1.119 3021 F CA 0.225 58.231 58.000 0.010 0.000 1.280 3021 F CB 0.981 39.988 39.000 0.012 0.000 0.994 3021 F HN 0.035 nan 8.300 nan 0.000 0.520 3022 G N 0.445 109.309 108.800 0.107 0.000 2.710 3022 G HA2 -0.204 3.745 3.960 -0.019 0.000 0.668 3022 G HA3 -0.204 3.745 3.960 -0.019 0.000 0.668 3022 G C 0.778 175.720 174.900 0.070 0.000 1.320 3022 G CA -0.592 44.554 45.100 0.076 0.000 0.860 3022 G HN -0.008 nan 8.290 nan 0.000 0.538 3023 K N 0.091 120.522 120.400 0.051 0.000 1.976 3023 K HA -0.187 4.122 4.320 -0.019 0.000 0.233 3023 K C 1.965 178.594 176.600 0.048 0.000 1.012 3023 K CA 2.167 58.479 56.287 0.042 0.000 1.049 3023 K CB -0.964 31.557 32.500 0.035 0.000 0.722 3023 K HN 1.511 nan 8.250 nan 0.000 0.465 3024 G N 0.979 109.809 108.800 0.050 0.000 4.420 3024 G HA2 0.204 4.153 3.960 -0.019 0.000 0.299 3024 G HA3 0.204 4.153 3.960 -0.019 0.000 0.299 3024 G C 0.875 175.808 174.900 0.056 0.000 1.343 3024 G CA 0.087 45.216 45.100 0.048 0.000 1.272 3024 G HN 0.325 nan 8.290 nan 0.000 0.610 3025 S N -0.076 115.669 115.700 0.075 0.000 2.423 3025 S HA 0.120 4.579 4.470 -0.019 0.000 0.231 3025 S C 0.796 175.426 174.600 0.050 0.000 1.014 3025 S CA 0.316 58.564 58.200 0.079 0.000 0.965 3025 S CB 0.340 63.627 63.200 0.145 0.000 0.785 3025 S HN 0.444 nan 8.310 nan 0.000 0.495 3026 I N 1.304 121.905 120.570 0.053 0.000 2.607 3026 I HA 0.594 4.752 4.170 -0.019 0.000 0.290 3026 I C -1.274 174.863 176.117 0.033 0.000 1.129 3026 I CA -1.283 60.039 61.300 0.036 0.000 1.042 3026 I CB 1.896 39.918 38.000 0.036 0.000 1.242 3026 I HN 0.376 nan 8.210 nan 0.000 0.421 3027 M N 4.362 123.978 119.600 0.026 0.000 2.880 3027 M HA 0.587 5.056 4.480 -0.019 0.000 0.269 3027 M C -1.278 175.031 176.300 0.016 0.000 1.248 3027 M CA -1.084 54.228 55.300 0.021 0.000 0.821 3027 M CB 1.467 34.079 32.600 0.020 0.000 1.650 3027 M HN 0.298 nan 8.290 nan 0.000 0.479 3028 R N 1.124 121.630 120.500 0.010 0.000 2.442 3028 R HA 0.303 4.632 4.340 -0.019 0.000 0.291 3028 R C 0.957 177.256 176.300 -0.001 0.000 1.069 3028 R CA -0.170 55.933 56.100 0.004 0.000 1.022 3028 R CB 0.380 30.680 30.300 0.000 0.000 0.976 3028 R HN 0.709 nan 8.270 nan 0.000 0.443 3029 L N 2.287 123.505 121.223 -0.008 0.000 2.043 3029 L HA -0.176 4.153 4.340 -0.019 0.000 0.212 3029 L C 1.776 178.634 176.870 -0.019 0.000 1.075 3029 L CA 2.184 57.012 54.840 -0.020 0.000 0.752 3029 L CB -0.486 41.545 42.059 -0.047 0.000 0.891 3029 L HN 0.990 nan 8.230 nan 0.000 0.432 3030 G N -0.327 108.462 108.800 -0.019 0.000 2.470 3030 G HA2 -0.255 3.694 3.960 -0.019 0.000 0.220 3030 G HA3 -0.255 3.694 3.960 -0.019 0.000 0.220 3030 G C 1.186 176.081 174.900 -0.008 0.000 1.121 3030 G CA 0.842 45.932 45.100 -0.016 0.000 0.766 3030 G HN 0.723 nan 8.290 nan 0.000 0.553 3031 E N -0.312 119.886 120.200 -0.004 0.000 2.498 3031 E HA 0.086 4.425 4.350 -0.019 0.000 0.203 3031 E C -0.305 176.298 176.600 0.005 0.000 1.013 3031 E CA -0.443 55.957 56.400 0.001 0.000 0.927 3031 E CB 0.231 29.932 29.700 0.002 0.000 1.012 3031 E HN 0.130 nan 8.360 nan 0.000 0.482 3032 D N 1.828 122.231 120.400 0.004 0.000 2.344 3032 D HA 0.040 4.669 4.640 -0.019 0.000 0.253 3032 D C 0.729 177.035 176.300 0.010 0.000 1.255 3032 D CA -0.121 53.885 54.000 0.010 0.000 0.894 3032 D CB 0.788 41.595 40.800 0.011 0.000 1.067 3032 D HN -0.054 nan 8.370 nan 0.000 0.492 3033 R N 1.687 122.195 120.500 0.013 0.000 2.090 3033 R HA -0.080 4.248 4.340 -0.019 0.000 0.228 3033 R C 1.924 178.234 176.300 0.017 0.000 1.110 3033 R CA 0.777 56.885 56.100 0.012 0.000 0.973 3033 R CB -0.928 29.379 30.300 0.012 0.000 0.869 3033 R HN 0.489 nan 8.270 nan 0.000 0.440 3034 S N -0.357 115.357 115.700 0.023 0.000 2.595 3034 S HA -0.069 4.389 4.470 -0.019 0.000 0.235 3034 S C 1.651 176.272 174.600 0.034 0.000 0.974 3034 S CA 0.640 58.858 58.200 0.030 0.000 0.942 3034 S CB -0.046 63.178 63.200 0.039 0.000 0.766 3034 S HN 0.093 nan 8.310 nan 0.000 0.536 3035 M N 1.633 121.248 119.600 0.025 0.000 2.465 3035 M HA 0.294 4.763 4.480 -0.019 0.000 0.249 3035 M C -0.656 175.654 176.300 0.016 0.000 1.130 3035 M CA 0.125 55.438 55.300 0.022 0.000 1.067 3035 M CB 0.205 32.810 32.600 0.009 0.000 1.394 3035 M HN 0.032 nan 8.290 nan 0.000 0.483 3036 D N 0.802 121.210 120.400 0.014 0.000 2.424 3036 D HA 0.087 4.716 4.640 -0.019 0.000 0.244 3036 D C -0.456 175.851 176.300 0.012 0.000 1.134 3036 D CA 0.173 54.179 54.000 0.010 0.000 0.881 3036 D CB 1.117 41.922 40.800 0.009 0.000 1.191 3036 D HN -0.107 nan 8.370 nan 0.000 0.445 3037 V N 2.773 122.692 119.914 0.009 0.000 2.461 3037 V HA 0.105 4.214 4.120 -0.019 0.000 0.275 3037 V C 0.576 176.672 176.094 0.004 0.000 1.047 3037 V CA -0.105 62.199 62.300 0.006 0.000 0.955 3037 V CB 1.040 32.864 31.823 0.001 0.000 0.988 3037 V HN 0.439 nan 8.190 nan 0.000 0.471 3038 E N 3.611 123.813 120.200 0.003 0.000 2.222 3038 E HA 0.595 4.934 4.350 -0.019 0.000 0.267 3038 E C -0.625 175.973 176.600 -0.005 0.000 0.884 3038 E CA -0.489 55.911 56.400 -0.000 0.000 0.764 3038 E CB 2.188 31.888 29.700 0.001 0.000 1.169 3038 E HN 0.797 nan 8.360 nan 0.000 0.413 3039 T N 1.107 115.656 114.554 -0.008 0.000 2.942 3039 T HA 0.624 4.963 4.350 -0.019 0.000 0.289 3039 T C -0.220 174.471 174.700 -0.016 0.000 1.044 3039 T CA -0.853 61.239 62.100 -0.012 0.000 1.023 3039 T CB 1.098 69.959 68.868 -0.012 0.000 1.123 3039 T HN 0.281 nan 8.240 nan 0.000 0.512 3040 I N 1.713 122.270 120.570 -0.021 0.000 2.509 3040 I HA 0.420 4.579 4.170 -0.019 0.000 0.293 3040 I C 0.707 176.805 176.117 -0.032 0.000 1.020 3040 I CA -0.721 60.561 61.300 -0.029 0.000 1.088 3040 I CB 1.826 39.807 38.000 -0.031 0.000 1.267 3040 I HN 0.957 nan 8.210 nan 0.000 0.430 3041 S N 2.789 118.464 115.700 -0.042 0.000 2.568 3041 S HA 0.074 4.533 4.470 -0.019 0.000 0.282 3041 S C 1.332 175.899 174.600 -0.054 0.000 1.338 3041 S CA 0.356 58.529 58.200 -0.045 0.000 1.045 3041 S CB 0.441 63.599 63.200 -0.070 0.000 0.873 3041 S HN 0.793 nan 8.310 nan 0.000 0.516 3042 T N 1.367 115.892 114.554 -0.049 0.000 3.081 3042 T HA 0.356 4.695 4.350 -0.019 0.000 0.255 3042 T C 1.519 176.162 174.700 -0.094 0.000 1.113 3042 T CA 0.639 62.703 62.100 -0.060 0.000 1.082 3042 T CB -0.312 68.525 68.868 -0.051 0.000 0.939 3042 T HN 1.613 nan 8.240 nan 0.000 0.506 3043 G N 0.832 109.570 108.800 -0.103 0.000 2.241 3043 G HA2 -0.238 3.710 3.960 -0.019 0.000 0.244 3043 G HA3 -0.238 3.710 3.960 -0.019 0.000 0.244 3043 G C 0.233 175.084 174.900 -0.082 0.000 0.998 3043 G CA 0.187 45.203 45.100 -0.140 0.000 0.621 3043 G HN 1.060 nan 8.290 nan 0.000 0.519 3044 S N -0.021 115.589 115.700 -0.151 0.000 2.437 3044 S HA 0.633 5.092 4.470 -0.019 0.000 0.305 3044 S C 1.219 175.784 174.600 -0.058 0.000 1.109 3044 S CA 0.100 58.156 58.200 -0.241 0.000 1.099 3044 S CB 1.546 64.332 63.200 -0.690 0.000 1.004 3044 S HN 1.042 nan 8.310 nan 0.000 0.475 3045 L N 5.804 126.980 121.223 -0.079 0.000 2.027 3045 L HA 0.033 4.361 4.340 -0.019 0.000 0.206 3045 L C 2.553 179.384 176.870 -0.066 0.000 1.074 3045 L CA 2.688 57.470 54.840 -0.098 0.000 0.745 3045 L CB -0.990 40.820 42.059 -0.416 0.000 0.898 3045 L HN 0.897 nan 8.230 nan 0.000 0.433 3046 S N -1.069 114.595 115.700 -0.060 0.000 2.423 3046 S HA -0.184 4.274 4.470 -0.019 0.000 0.231 3046 S C 2.099 176.728 174.600 0.050 0.000 1.014 3046 S CA 1.289 59.497 58.200 0.014 0.000 0.965 3046 S CB -0.955 62.284 63.200 0.065 0.000 0.785 3046 S HN 0.510 nan 8.310 nan 0.000 0.495 3047 L N 1.416 122.670 121.223 0.052 0.000 2.027 3047 L HA -0.103 4.226 4.340 -0.019 0.000 0.206 3047 L C 2.005 178.887 176.870 0.019 0.000 1.074 3047 L CA 1.955 56.830 54.840 0.058 0.000 0.745 3047 L CB -0.630 41.460 42.059 0.051 0.000 0.898 3047 L HN 0.240 nan 8.230 nan 0.000 0.433 3048 D N 0.117 120.520 120.400 0.004 0.000 2.182 3048 D HA -0.206 4.422 4.640 -0.019 0.000 0.201 3048 D C 2.135 178.438 176.300 0.006 0.000 0.986 3048 D CA 1.378 55.381 54.000 0.004 0.000 0.847 3048 D CB -0.065 40.744 40.800 0.016 0.000 0.942 3048 D HN 0.397 nan 8.370 nan 0.000 0.467 3049 I N 0.930 121.505 120.570 0.008 0.000 2.233 3049 I HA -0.195 3.963 4.170 -0.019 0.000 0.243 3049 I C 2.508 178.632 176.117 0.012 0.000 1.093 3049 I CA 0.925 62.231 61.300 0.011 0.000 1.380 3049 I CB -0.236 37.770 38.000 0.010 0.000 1.067 3049 I HN -0.095 nan 8.210 nan 0.000 0.413 3050 A N 0.807 123.639 122.820 0.019 0.000 1.940 3050 A HA -0.184 4.124 4.320 -0.019 0.000 0.219 3050 A C 2.260 179.839 177.584 -0.008 0.000 1.176 3050 A CA 1.530 53.577 52.037 0.017 0.000 0.631 3050 A CB -0.972 18.047 19.000 0.031 0.000 0.814 3050 A HN 0.423 nan 8.150 nan 0.000 0.446 3051 L N -1.552 119.663 121.223 -0.013 0.000 2.456 3051 L HA 0.024 4.353 4.340 -0.019 0.000 0.224 3051 L C 2.156 179.002 176.870 -0.041 0.000 1.148 3051 L CA 0.666 55.485 54.840 -0.036 0.000 0.825 3051 L CB -0.343 41.699 42.059 -0.029 0.000 0.937 3051 L HN 0.659 nan 8.230 nan 0.000 0.450 3052 G N -0.263 108.524 108.800 -0.022 0.000 2.708 3052 G HA2 -0.436 3.512 3.960 -0.019 0.000 0.229 3052 G HA3 -0.436 3.512 3.960 -0.019 0.000 0.229 3052 G C 1.033 175.926 174.900 -0.010 0.000 1.236 3052 G CA 0.455 45.545 45.100 -0.016 0.000 0.749 3052 G HN 0.463 nan 8.290 nan 0.000 0.515 3053 A N 0.578 123.386 122.820 -0.019 0.000 2.275 3053 A HA 0.584 4.892 4.320 -0.019 0.000 0.212 3053 A C 2.434 180.015 177.584 -0.006 0.000 1.201 3053 A CA 1.765 53.795 52.037 -0.012 0.000 0.843 3053 A CB -0.503 18.485 19.000 -0.020 0.000 0.873 3053 A HN 2.621 nan 8.150 nan 0.000 0.492 3054 G N -2.641 106.156 108.800 -0.005 0.000 2.141 3054 G HA2 0.286 4.235 3.960 -0.019 0.000 0.231 3054 G HA3 0.286 4.235 3.960 -0.019 0.000 0.231 3054 G C 0.854 175.752 174.900 -0.003 0.000 0.984 3054 G CA 0.315 45.416 45.100 0.001 0.000 0.660 3054 G HN 2.186 nan 8.290 nan 0.000 0.525 3055 G N -1.568 107.225 108.800 -0.011 0.000 2.341 3055 G HA2 0.509 4.458 3.960 -0.019 0.000 0.293 3055 G HA3 0.509 4.458 3.960 -0.019 0.000 0.293 3055 G C -0.658 174.230 174.900 -0.021 0.000 1.298 3055 G CA -0.497 44.593 45.100 -0.016 0.000 0.868 3055 G HN 0.883 nan 8.290 nan 0.000 0.540 3056 L N 1.768 122.978 121.223 -0.021 0.000 2.397 3056 L HA 0.411 4.739 4.340 -0.019 0.000 0.271 3056 L C -1.775 175.085 176.870 -0.018 0.000 1.148 3056 L CA -1.556 53.272 54.840 -0.021 0.000 0.825 3056 L CB 1.207 43.254 42.059 -0.019 0.000 1.117 3056 L HN 0.314 nan 8.230 nan 0.000 0.456 3057 P HA 0.202 nan 4.420 nan 0.000 0.290 3057 P C -0.806 176.492 177.300 -0.003 0.000 1.276 3057 P CA -0.608 62.487 63.100 -0.009 0.000 0.808 3057 P CB 0.996 32.691 31.700 -0.008 0.000 0.966 3058 M N 1.758 121.357 119.600 -0.002 0.000 2.238 3058 M HA 0.247 4.716 4.480 -0.019 0.000 0.347 3058 M C 1.572 177.878 176.300 0.009 0.000 1.173 3058 M CA 0.720 56.019 55.300 -0.002 0.000 1.147 3058 M CB -0.564 32.034 32.600 -0.003 0.000 1.547 3058 M HN 0.844 nan 8.290 nan 0.000 0.455 3059 G N 2.377 111.181 108.800 0.006 0.000 2.162 3059 G HA2 -0.204 3.744 3.960 -0.019 0.000 0.260 3059 G HA3 -0.204 3.744 3.960 -0.019 0.000 0.260 3059 G C 0.194 175.113 174.900 0.033 0.000 0.976 3059 G CA -0.040 45.070 45.100 0.017 0.000 0.655 3059 G HN 0.546 nan 8.290 nan 0.000 0.533 3060 R N -0.679 119.840 120.500 0.032 0.000 2.902 3060 R HA 0.774 5.103 4.340 -0.019 0.000 0.258 3060 R C 0.214 176.549 176.300 0.059 0.000 1.071 3060 R CA -1.166 54.967 56.100 0.055 0.000 1.024 3060 R CB 0.814 31.142 30.300 0.045 0.000 1.184 3060 R HN 0.221 nan 8.270 nan 0.000 0.492 3061 I N 0.698 121.331 120.570 0.104 0.000 2.392 3061 I HA 0.369 4.527 4.170 -0.019 0.000 0.295 3061 I C -0.245 175.950 176.117 0.130 0.000 0.985 3061 I CA -0.832 60.554 61.300 0.143 0.000 1.221 3061 I CB 1.754 39.898 38.000 0.240 0.000 1.366 3061 I HN -0.034 nan 8.210 nan 0.000 0.467 3062 V N 5.269 125.259 119.914 0.126 0.000 2.789 3062 V HA 0.395 4.504 4.120 -0.019 0.000 0.311 3062 V C -0.533 175.653 176.094 0.153 0.000 1.073 3062 V CA -0.649 61.709 62.300 0.097 0.000 0.921 3062 V CB 2.175 34.020 31.823 0.037 0.000 1.009 3062 V HN 0.746 nan 8.190 nan 0.000 0.426 3063 E N 3.640 123.921 120.200 0.134 0.000 2.210 3063 E HA 0.649 4.988 4.350 -0.019 0.000 0.266 3063 E C -1.662 174.997 176.600 0.099 0.000 0.883 3063 E CA -0.631 55.869 56.400 0.167 0.000 0.761 3063 E CB 1.807 31.619 29.700 0.186 0.000 1.156 3063 E HN 0.633 nan 8.360 nan 0.000 0.412 3064 I N 5.367 125.995 120.570 0.096 0.000 2.389 3064 I HA 0.333 4.492 4.170 -0.019 0.000 0.288 3064 I C -0.866 175.308 176.117 0.095 0.000 0.999 3064 I CA -0.906 60.406 61.300 0.021 0.000 1.129 3064 I CB 0.782 38.800 38.000 0.029 0.000 1.288 3064 I HN 0.470 nan 8.210 nan 0.000 0.444 3065 Y N 4.107 124.439 120.300 0.053 0.000 2.602 3065 Y HA 1.015 5.555 4.550 -0.018 0.000 0.342 3065 Y C -0.120 175.826 175.900 0.077 0.000 1.029 3065 Y CA -1.354 56.776 58.100 0.049 0.000 1.080 3065 Y CB 1.788 40.260 38.460 0.021 0.000 1.284 3065 Y HN 0.682 nan 8.280 nan 0.000 0.485 3066 G N 0.374 109.396 108.800 0.370 0.000 2.316 3066 G HA2 0.444 4.392 3.960 -0.019 0.000 0.296 3066 G HA3 0.444 4.392 3.960 -0.019 0.000 0.296 3066 G C -3.566 171.562 174.900 0.380 0.000 1.399 3066 G CA -1.309 43.971 45.100 0.300 0.000 0.833 3066 G HN 0.507 nan 8.290 nan 0.000 0.565 3067 P HA 0.323 nan 4.420 nan 0.000 0.274 3067 P C -0.314 177.028 177.300 0.070 0.000 1.260 3067 P CA -0.323 62.920 63.100 0.238 0.000 0.793 3067 P CB 0.278 32.025 31.700 0.078 0.000 1.048 3068 E N -0.592 119.276 120.200 -0.553 0.000 2.413 3068 E HA 0.167 4.506 4.350 -0.019 0.000 0.263 3068 E C 0.113 176.628 176.600 -0.143 0.000 1.015 3068 E CA -0.121 55.975 56.400 -0.506 0.000 0.916 3068 E CB -0.695 28.519 29.700 -0.810 0.000 0.947 3068 E HN 0.277 nan 8.360 nan 0.000 0.440 3069 S N 0.527 116.202 115.700 -0.041 0.000 3.533 3069 S HA -0.228 4.231 4.470 -0.019 0.000 0.347 3069 S C 0.989 175.632 174.600 0.071 0.000 1.101 3069 S CA 0.979 59.184 58.200 0.008 0.000 1.009 3069 S CB -1.755 61.422 63.200 -0.038 0.000 0.916 3069 S HN 0.730 nan 8.310 nan 0.000 0.496 3070 S N -0.313 115.440 115.700 0.089 0.000 2.478 3070 S HA 0.429 4.887 4.470 -0.019 0.000 0.222 3070 S C 1.549 176.222 174.600 0.122 0.000 1.008 3070 S CA 0.828 59.088 58.200 0.100 0.000 0.928 3070 S CB 0.479 63.740 63.200 0.100 0.000 0.781 3070 S HN 1.933 nan 8.310 nan 0.000 0.518 3071 G N 1.107 109.993 108.800 0.144 0.000 2.155 3071 G HA2 -0.153 3.796 3.960 -0.019 0.000 0.130 3071 G HA3 -0.153 3.796 3.960 -0.019 0.000 0.130 3071 G C 0.588 175.590 174.900 0.169 0.000 1.027 3071 G CA 0.073 45.279 45.100 0.176 0.000 0.705 3071 G HN 0.419 nan 8.290 nan 0.000 0.496 3072 K N 0.043 120.533 120.400 0.151 0.000 1.985 3072 K HA -0.066 4.243 4.320 -0.019 0.000 0.210 3072 K C 2.566 179.256 176.600 0.150 0.000 1.047 3072 K CA 2.016 58.386 56.287 0.139 0.000 0.932 3072 K CB -0.399 32.183 32.500 0.137 0.000 0.716 3072 K HN 0.293 nan 8.250 nan 0.000 0.439 3073 T N 0.889 115.544 114.554 0.168 0.000 2.674 3073 T HA -0.150 4.189 4.350 -0.019 0.000 0.265 3073 T C 2.051 176.863 174.700 0.188 0.000 1.039 3073 T CA 1.900 64.124 62.100 0.206 0.000 1.150 3073 T CB -0.577 68.414 68.868 0.206 0.000 0.864 3073 T HN 0.262 nan 8.240 nan 0.000 0.427 3074 T N 2.358 117.027 114.554 0.193 0.000 2.624 3074 T HA -0.117 4.222 4.350 -0.019 0.000 0.268 3074 T C 1.933 176.708 174.700 0.125 0.000 1.041 3074 T CA 1.403 63.616 62.100 0.189 0.000 1.159 3074 T CB -0.647 68.370 68.868 0.248 0.000 0.863 3074 T HN 0.204 nan 8.240 nan 0.000 0.434 3075 L N 0.277 121.581 121.223 0.135 0.000 1.989 3075 L HA -0.173 4.156 4.340 -0.019 0.000 0.211 3075 L C 2.716 179.624 176.870 0.063 0.000 1.071 3075 L CA 1.773 56.668 54.840 0.091 0.000 0.749 3075 L CB -0.860 41.274 42.059 0.125 0.000 0.890 3075 L HN 0.247 nan 8.230 nan 0.000 0.431 3076 T N 0.109 114.720 114.554 0.095 0.000 2.620 3076 T HA -0.284 4.055 4.350 -0.019 0.000 0.267 3076 T C 1.804 176.563 174.700 0.099 0.000 1.044 3076 T CA 2.285 64.447 62.100 0.104 0.000 1.161 3076 T CB -0.387 68.582 68.868 0.169 0.000 0.862 3076 T HN 0.307 nan 8.240 nan 0.000 0.438 3077 L N 0.721 122.003 121.223 0.098 0.000 2.083 3077 L HA -0.123 4.206 4.340 -0.019 0.000 0.209 3077 L C 3.021 179.878 176.870 -0.021 0.000 1.083 3077 L CA 1.069 55.926 54.840 0.027 0.000 0.752 3077 L CB -0.541 41.502 42.059 -0.027 0.000 0.899 3077 L HN 0.244 nan 8.230 nan 0.000 0.433 3078 Q N -0.319 119.466 119.800 -0.026 0.000 2.084 3078 Q HA -0.192 4.137 4.340 -0.019 0.000 0.202 3078 Q C 2.472 178.430 176.000 -0.071 0.000 0.978 3078 Q CA 1.981 57.744 55.803 -0.066 0.000 0.844 3078 Q CB -0.688 28.005 28.738 -0.076 0.000 0.898 3078 Q HN 0.580 nan 8.270 nan 0.000 0.426 3079 V N -0.622 119.266 119.914 -0.043 0.000 2.358 3079 V HA -0.208 3.901 4.120 -0.019 0.000 0.246 3079 V C 2.130 178.200 176.094 -0.040 0.000 1.047 3079 V CA 1.247 63.520 62.300 -0.045 0.000 1.035 3079 V CB -0.558 31.248 31.823 -0.029 0.000 0.658 3079 V HN 0.225 nan 8.190 nan 0.000 0.452 3080 I N 1.196 121.756 120.570 -0.017 0.000 2.127 3080 I HA -0.234 3.925 4.170 -0.019 0.000 0.241 3080 I C 3.014 179.105 176.117 -0.043 0.000 1.075 3080 I CA 2.016 63.307 61.300 -0.014 0.000 1.334 3080 I CB -0.861 37.152 38.000 0.021 0.000 1.040 3080 I HN 0.443 nan 8.210 nan 0.000 0.405 3081 A N 0.706 123.490 122.820 -0.061 0.000 1.892 3081 A HA -0.267 4.042 4.320 -0.019 0.000 0.218 3081 A C 2.528 180.057 177.584 -0.093 0.000 1.188 3081 A CA 2.306 54.294 52.037 -0.082 0.000 0.631 3081 A CB -1.034 17.906 19.000 -0.101 0.000 0.822 3081 A HN 0.479 nan 8.150 nan 0.000 0.447 3082 A N -0.424 122.332 122.820 -0.106 0.000 1.902 3082 A HA 0.166 4.475 4.320 -0.019 0.000 0.217 3082 A C 2.510 180.039 177.584 -0.091 0.000 1.181 3082 A CA 2.164 54.127 52.037 -0.123 0.000 0.623 3082 A CB -0.998 17.917 19.000 -0.141 0.000 0.818 3082 A HN 1.117 nan 8.150 nan 0.000 0.443 3083 A N -0.783 121.995 122.820 -0.069 0.000 1.898 3083 A HA -0.192 4.117 4.320 -0.019 0.000 0.216 3083 A C 2.120 179.675 177.584 -0.048 0.000 1.181 3083 A CA 1.585 53.591 52.037 -0.052 0.000 0.620 3083 A CB -0.539 18.437 19.000 -0.040 0.000 0.819 3083 A HN 0.647 nan 8.150 nan 0.000 0.442 3084 Q N -1.195 118.576 119.800 -0.049 0.000 2.119 3084 Q HA -0.151 4.178 4.340 -0.019 0.000 0.201 3084 Q C 2.228 178.198 176.000 -0.050 0.000 0.972 3084 Q CA 1.363 57.139 55.803 -0.045 0.000 0.847 3084 Q CB -0.139 28.572 28.738 -0.045 0.000 0.903 3084 Q HN 0.541 nan 8.270 nan 0.000 0.433 3085 R N 1.086 121.548 120.500 -0.063 0.000 2.249 3085 R HA -0.125 4.204 4.340 -0.019 0.000 0.230 3085 R C 0.467 176.733 176.300 -0.058 0.000 1.121 3085 R CA 1.059 57.118 56.100 -0.068 0.000 0.997 3085 R CB 0.207 30.452 30.300 -0.092 0.000 0.867 3085 R HN 0.249 nan 8.270 nan 0.000 0.465 3086 E N -1.665 118.503 120.200 -0.052 0.000 2.685 3086 E HA 0.197 4.536 4.350 -0.019 0.000 0.208 3086 E C 0.139 176.719 176.600 -0.033 0.000 0.996 3086 E CA 0.274 56.648 56.400 -0.043 0.000 1.054 3086 E CB 1.131 30.805 29.700 -0.044 0.000 1.075 3086 E HN 0.393 nan 8.360 nan 0.000 0.460 3087 G N 2.252 111.033 108.800 -0.032 0.000 2.160 3087 G HA2 -0.320 3.628 3.960 -0.019 0.000 0.251 3087 G HA3 -0.320 3.628 3.960 -0.019 0.000 0.251 3087 G C 0.070 174.956 174.900 -0.023 0.000 1.008 3087 G CA 0.268 45.353 45.100 -0.025 0.000 0.724 3087 G HN 0.151 nan 8.290 nan 0.000 0.514 3088 K N 0.431 120.815 120.400 -0.026 0.000 2.118 3088 K HA 0.507 4.816 4.320 -0.019 0.000 0.267 3088 K C 0.135 176.723 176.600 -0.021 0.000 0.991 3088 K CA -0.288 55.986 56.287 -0.023 0.000 0.916 3088 K CB 1.000 33.485 32.500 -0.025 0.000 1.041 3088 K HN 0.117 nan 8.250 nan 0.000 0.455 3089 T N 1.729 116.273 114.554 -0.017 0.000 2.806 3089 T HA 0.289 4.628 4.350 -0.019 0.000 0.290 3089 T C -0.276 174.416 174.700 -0.013 0.000 0.966 3089 T CA -0.503 61.589 62.100 -0.014 0.000 1.060 3089 T CB 0.264 69.126 68.868 -0.011 0.000 0.927 3089 T HN 0.530 nan 8.240 nan 0.000 0.485 3090 C N 2.398 121.694 119.300 -0.007 0.000 2.634 3090 C HA 0.945 5.394 4.460 -0.019 0.000 0.313 3090 C C 0.350 175.348 174.990 0.015 0.000 1.198 3090 C CA -0.986 58.032 59.018 0.000 0.000 1.605 3090 C CB 0.915 28.660 27.740 0.009 0.000 2.196 3090 C HN 1.050 nan 8.230 nan 0.000 0.486 3091 A N 1.400 124.228 122.820 0.013 0.000 2.386 3091 A HA 0.867 5.176 4.320 -0.019 0.000 0.311 3091 A C -1.410 176.208 177.584 0.057 0.000 1.068 3091 A CA -0.265 51.787 52.037 0.025 0.000 0.743 3091 A CB 0.960 19.950 19.000 -0.018 0.000 1.258 3091 A HN 0.828 nan 8.150 nan 0.000 0.429 3092 F N 3.459 123.369 119.950 -0.067 0.000 2.460 3092 F HA 0.561 5.077 4.527 -0.017 0.000 0.341 3092 F C -0.713 175.038 175.800 -0.082 0.000 1.130 3092 F CA -0.877 57.079 58.000 -0.072 0.000 0.962 3092 F CB 1.286 40.253 39.000 -0.056 0.000 1.171 3092 F HN 0.377 nan 8.300 nan 0.000 0.436 3093 I N 4.891 125.221 120.570 -0.399 0.000 2.307 3093 I HA 0.131 4.290 4.170 -0.019 0.000 0.287 3093 I C -0.219 175.715 176.117 -0.305 0.000 1.054 3093 I CA -0.337 60.806 61.300 -0.261 0.000 1.218 3093 I CB 0.582 38.433 38.000 -0.248 0.000 1.398 3093 I HN 0.511 nan 8.210 nan 0.000 0.475 3094 D N 5.334 125.701 120.400 -0.055 0.000 2.631 3094 D HA 0.368 4.997 4.640 -0.019 0.000 0.227 3094 D C 1.251 177.437 176.300 -0.190 0.000 1.146 3094 D CA -0.104 53.914 54.000 0.029 0.000 1.009 3094 D CB 0.842 41.768 40.800 0.210 0.000 1.057 3094 D HN 0.594 nan 8.370 nan 0.000 0.509 3095 A N 2.285 125.025 122.820 -0.133 0.000 2.067 3095 A HA -0.113 4.196 4.320 -0.019 0.000 0.219 3095 A C 1.904 179.565 177.584 0.128 0.000 1.158 3095 A CA 0.790 52.796 52.037 -0.052 0.000 0.661 3095 A CB -0.207 18.794 19.000 0.002 0.000 0.801 3095 A HN 0.527 nan 8.150 nan 0.000 0.452 3096 E N -1.185 119.065 120.200 0.083 0.000 2.435 3096 E HA -0.069 4.270 4.350 -0.019 0.000 0.195 3096 E C -0.498 176.261 176.600 0.264 0.000 1.029 3096 E CA -0.001 56.486 56.400 0.146 0.000 0.865 3096 E CB -0.103 29.613 29.700 0.026 0.000 0.833 3096 E HN 0.684 nan 8.360 nan 0.000 0.510 3097 H N -1.957 117.178 119.070 0.108 0.000 2.756 3097 H HA -0.204 4.341 4.556 -0.018 0.000 0.315 3097 H C -0.010 175.372 175.328 0.090 0.000 1.210 3097 H CA 0.631 56.740 56.048 0.101 0.000 1.150 3097 H CB -1.396 28.424 29.762 0.097 0.000 1.463 3097 H HN 0.265 nan 8.280 nan 0.000 0.427 3098 A N 0.302 123.209 122.820 0.146 0.000 2.704 3098 A HA 0.226 4.535 4.320 -0.019 0.000 0.260 3098 A C 0.434 178.053 177.584 0.058 0.000 1.144 3098 A CA -0.382 51.716 52.037 0.102 0.000 0.985 3098 A CB 0.731 19.787 19.000 0.092 0.000 1.256 3098 A HN 0.138 nan 8.150 nan 0.000 0.598 3099 L N 1.380 122.631 121.223 0.048 0.000 2.410 3099 L HA 0.419 4.748 4.340 -0.019 0.000 0.273 3099 L C -0.540 176.311 176.870 -0.033 0.000 1.144 3099 L CA 0.228 55.047 54.840 -0.035 0.000 0.863 3099 L CB 0.547 42.514 42.059 -0.153 0.000 1.140 3099 L HN 0.220 nan 8.230 nan 0.000 0.463 3100 D N 7.240 127.628 120.400 -0.020 0.000 2.412 3100 D HA 0.327 4.956 4.640 -0.019 0.000 0.224 3100 D C -1.813 174.491 176.300 0.007 0.000 1.093 3100 D CA -2.248 51.757 54.000 0.008 0.000 0.850 3100 D CB 1.539 42.356 40.800 0.028 0.000 1.046 3100 D HN 0.348 nan 8.370 nan 0.000 0.507 3101 P HA -0.168 nan 4.420 nan 0.000 0.215 3101 P C 1.660 178.950 177.300 -0.017 0.000 1.153 3101 P CA 0.684 63.758 63.100 -0.043 0.000 0.853 3101 P CB 0.521 32.200 31.700 -0.035 0.000 0.788 3102 I N -1.738 118.842 120.570 0.015 0.000 2.286 3102 I HA -0.239 3.920 4.170 -0.019 0.000 0.248 3102 I C 2.672 178.824 176.117 0.058 0.000 1.115 3102 I CA 1.412 62.729 61.300 0.028 0.000 1.392 3102 I CB -1.087 36.935 38.000 0.037 0.000 1.065 3102 I HN -0.135 nan 8.210 nan 0.000 0.418 3103 Y N 1.013 121.287 120.300 -0.042 0.000 2.263 3103 Y HA -0.142 4.398 4.550 -0.017 0.000 0.292 3103 Y C 2.442 178.314 175.900 -0.046 0.000 1.130 3103 Y CA 1.113 59.193 58.100 -0.034 0.000 1.179 3103 Y CB -0.490 37.951 38.460 -0.032 0.000 0.998 3103 Y HN 0.124 nan 8.280 nan 0.000 0.532 3104 A N 0.773 123.553 122.820 -0.067 0.000 1.908 3104 A HA -0.234 4.075 4.320 -0.019 0.000 0.218 3104 A C 2.430 179.910 177.584 -0.174 0.000 1.181 3104 A CA 1.855 53.794 52.037 -0.164 0.000 0.627 3104 A CB -0.780 18.125 19.000 -0.159 0.000 0.818 3104 A HN 0.476 nan 8.150 nan 0.000 0.445 3105 R N -0.146 120.281 120.500 -0.122 0.000 2.081 3105 R HA -0.128 4.201 4.340 -0.019 0.000 0.235 3105 R C 2.081 178.305 176.300 -0.126 0.000 1.131 3105 R CA 1.860 57.898 56.100 -0.102 0.000 0.960 3105 R CB -0.306 29.956 30.300 -0.063 0.000 0.856 3105 R HN 0.545 nan 8.270 nan 0.000 0.436 3106 K N 0.267 120.574 120.400 -0.155 0.000 2.152 3106 K HA -0.088 4.221 4.320 -0.019 0.000 0.206 3106 K C 1.864 178.329 176.600 -0.226 0.000 1.048 3106 K CA 1.137 57.322 56.287 -0.171 0.000 0.933 3106 K CB -0.058 32.338 32.500 -0.174 0.000 0.721 3106 K HN 0.231 nan 8.250 nan 0.000 0.447 3107 L N -0.469 120.561 121.223 -0.323 0.000 2.610 3107 L HA 0.065 4.394 4.340 -0.019 0.000 0.232 3107 L C 0.996 177.766 176.870 -0.168 0.000 1.149 3107 L CA 0.465 55.145 54.840 -0.267 0.000 0.872 3107 L CB -0.131 41.736 42.059 -0.320 0.000 0.992 3107 L HN 0.459 nan 8.230 nan 0.000 0.447 3108 G N 0.091 108.806 108.800 -0.142 0.000 2.131 3108 G HA2 -0.225 3.724 3.960 -0.019 0.000 0.223 3108 G HA3 -0.225 3.724 3.960 -0.019 0.000 0.223 3108 G C 0.111 174.950 174.900 -0.101 0.000 0.990 3108 G CA -0.132 44.903 45.100 -0.108 0.000 0.671 3108 G HN 0.089 nan 8.290 nan 0.000 0.521 3109 V N 1.108 120.957 119.914 -0.109 0.000 2.530 3109 V HA 0.365 4.474 4.120 -0.019 0.000 0.282 3109 V C 0.680 176.728 176.094 -0.077 0.000 1.048 3109 V CA -0.110 62.135 62.300 -0.093 0.000 0.997 3109 V CB 1.677 33.436 31.823 -0.107 0.000 0.987 3109 V HN 0.375 nan 8.190 nan 0.000 0.477 3110 D N 4.666 125.029 120.400 -0.062 0.000 2.416 3110 D HA 0.084 4.713 4.640 -0.019 0.000 0.240 3110 D C 1.073 177.344 176.300 -0.048 0.000 1.250 3110 D CA -0.263 53.707 54.000 -0.050 0.000 0.967 3110 D CB 0.465 41.239 40.800 -0.042 0.000 1.059 3110 D HN 0.281 nan 8.370 nan 0.000 0.512 3111 I N 2.669 123.209 120.570 -0.051 0.000 2.208 3111 I HA -0.220 3.939 4.170 -0.019 0.000 0.245 3111 I C 1.512 177.608 176.117 -0.035 0.000 1.097 3111 I CA 1.017 62.287 61.300 -0.050 0.000 1.363 3111 I CB -0.672 37.299 38.000 -0.048 0.000 1.051 3111 I HN 0.405 nan 8.210 nan 0.000 0.413 3112 D N 0.674 121.057 120.400 -0.028 0.000 2.310 3112 D HA -0.116 4.513 4.640 -0.019 0.000 0.212 3112 D C 1.444 177.734 176.300 -0.016 0.000 0.965 3112 D CA 0.775 54.763 54.000 -0.020 0.000 0.879 3112 D CB -0.102 40.688 40.800 -0.018 0.000 0.921 3112 D HN 0.404 nan 8.370 nan 0.000 0.510 3113 N N -0.140 118.549 118.700 -0.019 0.000 2.181 3113 N HA 0.024 4.753 4.740 -0.019 0.000 0.207 3113 N C 0.293 175.796 175.510 -0.011 0.000 1.182 3113 N CA -0.215 52.827 53.050 -0.015 0.000 0.893 3113 N CB 1.310 39.787 38.487 -0.017 0.000 1.032 3113 N HN 0.152 nan 8.380 nan 0.000 0.513 3114 L N 2.844 124.058 121.223 -0.015 0.000 2.407 3114 L HA 0.254 4.582 4.340 -0.019 0.000 0.282 3114 L C -0.202 176.673 176.870 0.009 0.000 1.110 3114 L CA -0.031 54.806 54.840 -0.005 0.000 0.863 3114 L CB -0.084 41.961 42.059 -0.023 0.000 1.207 3114 L HN -0.006 nan 8.230 nan 0.000 0.454 3115 L N 5.371 126.606 121.223 0.020 0.000 2.490 3115 L HA 0.080 4.409 4.340 -0.019 0.000 0.274 3115 L C 0.098 176.999 176.870 0.052 0.000 1.201 3115 L CA 0.302 55.158 54.840 0.025 0.000 0.869 3115 L CB 0.892 42.962 42.059 0.018 0.000 1.123 3115 L HN 0.711 nan 8.230 nan 0.000 0.484 3116 C N 3.085 122.413 119.300 0.046 0.000 2.701 3116 C HA 0.647 5.096 4.460 -0.019 0.000 0.336 3116 C C -0.357 174.659 174.990 0.044 0.000 1.123 3116 C CA -0.445 58.617 59.018 0.073 0.000 1.326 3116 C CB 1.485 29.259 27.740 0.055 0.000 1.833 3116 C HN 0.810 nan 8.230 nan 0.000 0.473 3117 S N 3.804 119.526 115.700 0.037 0.000 2.536 3117 S HA 0.616 5.075 4.470 -0.019 0.000 0.287 3117 S C -1.254 173.320 174.600 -0.044 0.000 1.101 3117 S CA -0.280 57.916 58.200 -0.007 0.000 0.950 3117 S CB 1.524 64.703 63.200 -0.036 0.000 1.056 3117 S HN 0.850 nan 8.310 nan 0.000 0.481 3118 Q N 4.141 123.904 119.800 -0.061 0.000 2.607 3118 Q HA 0.339 4.668 4.340 -0.019 0.000 0.247 3118 Q C -2.424 173.545 176.000 -0.052 0.000 1.033 3118 Q CA -1.881 53.822 55.803 -0.167 0.000 0.769 3118 Q CB 1.568 30.209 28.738 -0.163 0.000 1.169 3118 Q HN 0.529 nan 8.270 nan 0.000 0.508 3119 P HA 0.066 nan 4.420 nan 0.000 0.274 3119 P C -0.292 177.055 177.300 0.079 0.000 1.237 3119 P CA -0.152 62.928 63.100 -0.033 0.000 0.793 3119 P CB 1.510 33.146 31.700 -0.107 0.000 0.977 3120 D N -0.279 120.145 120.400 0.041 0.000 2.146 3120 D HA -0.024 4.605 4.640 -0.019 0.000 0.209 3120 D C 0.980 177.304 176.300 0.040 0.000 0.973 3120 D CA 1.589 55.627 54.000 0.064 0.000 0.860 3120 D CB -0.396 40.433 40.800 0.049 0.000 1.015 3120 D HN 0.513 nan 8.370 nan 0.000 0.465 3121 T N -2.792 111.760 114.554 -0.002 0.000 2.952 3121 T HA 0.531 4.869 4.350 -0.019 0.000 0.286 3121 T C 1.381 176.060 174.700 -0.035 0.000 1.024 3121 T CA -0.371 61.721 62.100 -0.014 0.000 1.029 3121 T CB 1.924 70.782 68.868 -0.017 0.000 1.094 3121 T HN -0.005 nan 8.240 nan 0.000 0.515 3122 G N 0.293 109.077 108.800 -0.026 0.000 2.408 3122 G HA2 -0.108 3.841 3.960 -0.019 0.000 0.217 3122 G HA3 -0.108 3.841 3.960 -0.019 0.000 0.217 3122 G C 1.156 176.027 174.900 -0.049 0.000 1.150 3122 G CA 0.572 45.654 45.100 -0.028 0.000 0.776 3122 G HN 0.794 nan 8.290 nan 0.000 0.542 3123 E N 0.011 120.183 120.200 -0.047 0.000 2.085 3123 E HA -0.141 4.198 4.350 -0.019 0.000 0.194 3123 E C 2.420 178.962 176.600 -0.096 0.000 0.994 3123 E CA 1.263 57.639 56.400 -0.041 0.000 0.801 3123 E CB -0.250 29.445 29.700 -0.009 0.000 0.743 3123 E HN 0.608 nan 8.360 nan 0.000 0.453 3124 Q N 0.132 119.825 119.800 -0.178 0.000 2.061 3124 Q HA -0.236 4.092 4.340 -0.019 0.000 0.204 3124 Q C 2.162 177.883 176.000 -0.465 0.000 0.984 3124 Q CA 1.724 57.220 55.803 -0.511 0.000 0.846 3124 Q CB -0.230 28.212 28.738 -0.492 0.000 0.902 3124 Q HN 0.311 nan 8.270 nan 0.000 0.421 3125 A N 0.669 123.338 122.820 -0.251 0.000 1.892 3125 A HA -0.203 4.106 4.320 -0.019 0.000 0.218 3125 A C 2.024 179.527 177.584 -0.135 0.000 1.188 3125 A CA 1.678 53.609 52.037 -0.176 0.000 0.631 3125 A CB -0.734 18.209 19.000 -0.095 0.000 0.822 3125 A HN 0.464 nan 8.150 nan 0.000 0.447 3126 L N -1.247 119.924 121.223 -0.086 0.000 2.209 3126 L HA -0.041 4.288 4.340 -0.019 0.000 0.207 3126 L C 2.503 179.353 176.870 -0.033 0.000 1.094 3126 L CA 0.706 55.529 54.840 -0.028 0.000 0.790 3126 L CB -0.401 41.663 42.059 0.009 0.000 0.932 3126 L HN 0.255 nan 8.230 nan 0.000 0.447 3127 E N 0.547 120.715 120.200 -0.053 0.000 2.150 3127 E HA -0.153 4.186 4.350 -0.019 0.000 0.193 3127 E C 2.280 178.898 176.600 0.029 0.000 0.985 3127 E CA 1.164 57.582 56.400 0.029 0.000 0.814 3127 E CB -0.034 29.764 29.700 0.163 0.000 0.752 3127 E HN 0.503 nan 8.360 nan 0.000 0.466 3128 I N 0.125 120.637 120.570 -0.097 0.000 2.202 3128 I HA -0.316 3.843 4.170 -0.019 0.000 0.242 3128 I C 2.518 178.615 176.117 -0.033 0.000 1.091 3128 I CA 0.662 61.929 61.300 -0.054 0.000 1.368 3128 I CB -0.239 37.675 38.000 -0.143 0.000 1.058 3128 I HN 0.124 nan 8.210 nan 0.000 0.410 3129 C N 0.417 119.680 119.300 -0.061 0.000 2.413 3129 C HA -0.232 4.217 4.460 -0.019 0.000 0.276 3129 C C 2.583 177.554 174.990 -0.031 0.000 1.236 3129 C CA 1.377 60.357 59.018 -0.064 0.000 1.735 3129 C CB -0.995 26.697 27.740 -0.079 0.000 2.031 3129 C HN 0.543 nan 8.230 nan 0.000 0.474 3130 D N 0.346 120.741 120.400 -0.007 0.000 2.117 3130 D HA -0.074 4.555 4.640 -0.019 0.000 0.197 3130 D C 2.191 178.499 176.300 0.014 0.000 0.987 3130 D CA 1.592 55.595 54.000 0.005 0.000 0.829 3130 D CB -0.218 40.595 40.800 0.021 0.000 0.961 3130 D HN 0.408 nan 8.370 nan 0.000 0.460 3131 A N 0.136 122.977 122.820 0.034 0.000 1.883 3131 A HA -0.131 4.178 4.320 -0.019 0.000 0.217 3131 A C 2.432 180.029 177.584 0.020 0.000 1.186 3131 A CA 1.247 53.309 52.037 0.042 0.000 0.624 3131 A CB -0.876 18.172 19.000 0.080 0.000 0.822 3131 A HN 0.347 nan 8.150 nan 0.000 0.444 3132 L N -0.895 120.333 121.223 0.007 0.000 2.056 3132 L HA -0.170 4.159 4.340 -0.019 0.000 0.207 3132 L C 3.119 179.981 176.870 -0.013 0.000 1.078 3132 L CA 0.945 55.782 54.840 -0.006 0.000 0.749 3132 L CB -0.691 41.356 42.059 -0.021 0.000 0.901 3132 L HN 0.447 nan 8.230 nan 0.000 0.433 3133 A N 0.345 123.153 122.820 -0.020 0.000 1.851 3133 A HA -0.245 4.064 4.320 -0.019 0.000 0.216 3133 A C 2.412 179.988 177.584 -0.013 0.000 1.195 3133 A CA 1.774 53.797 52.037 -0.022 0.000 0.622 3133 A CB -0.614 18.369 19.000 -0.028 0.000 0.831 3133 A HN 0.294 nan 8.150 nan 0.000 0.444 3134 R N 0.001 120.497 120.500 -0.006 0.000 2.127 3134 R HA -0.140 4.189 4.340 -0.019 0.000 0.238 3134 R C 2.619 178.920 176.300 0.002 0.000 1.134 3134 R CA 1.642 57.741 56.100 -0.001 0.000 0.975 3134 R CB -0.419 29.885 30.300 0.006 0.000 0.865 3134 R HN 0.772 nan 8.270 nan 0.000 0.447 3135 S N -0.667 115.035 115.700 0.003 0.000 2.399 3135 S HA -0.088 4.370 4.470 -0.019 0.000 0.231 3135 S C 1.648 176.249 174.600 0.001 0.000 1.022 3135 S CA 1.154 59.356 58.200 0.004 0.000 0.983 3135 S CB -0.254 62.949 63.200 0.005 0.000 0.803 3135 S HN 0.544 nan 8.310 nan 0.000 0.480 3136 G N 0.501 109.300 108.800 -0.002 0.000 2.155 3136 G HA2 -0.188 3.760 3.960 -0.019 0.000 0.257 3136 G HA3 -0.188 3.760 3.960 -0.019 0.000 0.257 3136 G C 0.733 175.630 174.900 -0.004 0.000 0.983 3136 G CA 0.362 45.461 45.100 -0.003 0.000 0.676 3136 G HN 1.417 nan 8.290 nan 0.000 0.528 3137 A N -1.196 121.621 122.820 -0.004 0.000 2.197 3137 A HA 0.683 4.992 4.320 -0.019 0.000 0.210 3137 A C 1.000 178.579 177.584 -0.008 0.000 1.180 3137 A CA 1.223 53.257 52.037 -0.005 0.000 0.846 3137 A CB 0.614 19.613 19.000 -0.002 0.000 0.884 3137 A HN 0.976 nan 8.150 nan 0.000 0.487 3138 V N 1.033 120.940 119.914 -0.012 0.000 2.472 3138 V HA 0.229 4.338 4.120 -0.019 0.000 0.290 3138 V C 0.151 176.233 176.094 -0.021 0.000 1.037 3138 V CA -0.495 61.795 62.300 -0.017 0.000 0.908 3138 V CB 1.610 33.420 31.823 -0.022 0.000 0.985 3138 V HN 0.395 nan 8.190 nan 0.000 0.454 3139 D N 1.776 122.163 120.400 -0.022 0.000 2.338 3139 D HA 0.075 4.704 4.640 -0.019 0.000 0.224 3139 D C 0.362 176.643 176.300 -0.031 0.000 0.967 3139 D CA 1.168 55.154 54.000 -0.023 0.000 0.896 3139 D CB 1.441 42.228 40.800 -0.021 0.000 1.028 3139 D HN 0.404 nan 8.370 nan 0.000 0.493 3140 V N 1.093 120.986 119.914 -0.035 0.000 2.577 3140 V HA 0.480 4.589 4.120 -0.019 0.000 0.303 3140 V C -1.419 174.638 176.094 -0.061 0.000 1.042 3140 V CA -0.721 61.550 62.300 -0.048 0.000 0.872 3140 V CB 1.885 33.685 31.823 -0.039 0.000 0.998 3140 V HN -0.091 nan 8.190 nan 0.000 0.423 3141 I N 6.865 127.374 120.570 -0.102 0.000 2.433 3141 I HA 0.638 4.797 4.170 -0.019 0.000 0.292 3141 I C -0.406 175.573 176.117 -0.229 0.000 1.001 3141 I CA -1.026 60.185 61.300 -0.149 0.000 1.119 3141 I CB 1.957 39.852 38.000 -0.174 0.000 1.289 3141 I HN 0.627 nan 8.210 nan 0.000 0.438 3142 V N 7.000 126.752 119.914 -0.269 0.000 2.495 3142 V HA 0.579 4.688 4.120 -0.019 0.000 0.298 3142 V C -0.764 174.975 176.094 -0.593 0.000 1.031 3142 V CA -0.373 61.689 62.300 -0.396 0.000 0.871 3142 V CB 2.035 33.693 31.823 -0.274 0.000 0.988 3142 V HN 0.443 nan 8.190 nan 0.000 0.432 3143 V N 5.684 125.266 119.914 -0.553 0.000 2.328 3143 V HA 0.391 4.500 4.120 -0.019 0.000 0.278 3143 V C -0.113 175.780 176.094 -0.335 0.000 1.021 3143 V CA -0.343 61.685 62.300 -0.452 0.000 0.838 3143 V CB 1.171 32.776 31.823 -0.363 0.000 0.999 3143 V HN 0.974 nan 8.190 nan 0.000 0.447 3144 D N 3.677 123.828 120.400 -0.415 0.000 2.365 3144 D HA 0.299 4.928 4.640 -0.019 0.000 0.237 3144 D C 0.033 176.291 176.300 -0.070 0.000 1.190 3144 D CA 0.666 54.547 54.000 -0.199 0.000 0.867 3144 D CB 0.651 41.394 40.800 -0.095 0.000 1.050 3144 D HN 0.642 nan 8.370 nan 0.000 0.491 3145 S N 1.281 116.965 115.700 -0.025 0.000 3.373 3145 S HA -0.150 4.309 4.470 -0.019 0.000 0.728 3145 S C 1.162 175.773 174.600 0.019 0.000 0.612 3145 S CA 0.328 58.514 58.200 -0.023 0.000 1.473 3145 S CB -1.012 62.137 63.200 -0.085 0.000 0.990 3145 S HN 0.523 nan 8.310 nan 0.000 0.936 3146 V N 2.493 122.433 119.914 0.043 0.000 2.515 3146 V HA -0.009 4.100 4.120 -0.019 0.000 0.250 3146 V C 2.341 178.432 176.094 -0.005 0.000 1.058 3146 V CA 2.346 64.662 62.300 0.026 0.000 1.064 3146 V CB -1.099 30.693 31.823 -0.052 0.000 0.675 3146 V HN 1.474 nan 8.190 nan 0.000 0.461 3147 A N 0.751 123.553 122.820 -0.030 0.000 1.958 3147 A HA -0.066 4.243 4.320 -0.019 0.000 0.221 3147 A C 2.361 180.001 177.584 0.094 0.000 1.178 3147 A CA 2.555 54.585 52.037 -0.011 0.000 0.642 3147 A CB -1.002 17.941 19.000 -0.095 0.000 0.816 3147 A HN 1.244 nan 8.150 nan 0.000 0.453 3148 A N -1.673 121.206 122.820 0.099 0.000 2.275 3148 A HA 0.446 4.755 4.320 -0.019 0.000 0.212 3148 A C 0.538 178.195 177.584 0.121 0.000 1.201 3148 A CA -0.128 52.025 52.037 0.193 0.000 0.843 3148 A CB -0.136 18.983 19.000 0.200 0.000 0.873 3148 A HN 0.284 nan 8.150 nan 0.000 0.492 3149 L N 2.547 123.809 121.223 0.066 0.000 2.451 3149 L HA 0.131 4.460 4.340 -0.019 0.000 0.272 3149 L C 0.060 176.942 176.870 0.021 0.000 1.258 3149 L CA 0.691 55.553 54.840 0.037 0.000 1.132 3149 L CB -1.024 41.047 42.059 0.020 0.000 1.361 3149 L HN 0.104 nan 8.230 nan 0.000 0.438 3150 T N 4.515 119.086 114.554 0.028 0.000 2.737 3150 T HA 0.243 4.582 4.350 -0.019 0.000 0.296 3150 T C -2.178 172.505 174.700 -0.029 0.000 0.922 3150 T CA -1.181 60.920 62.100 0.002 0.000 1.079 3150 T CB 0.537 69.411 68.868 0.009 0.000 0.892 3150 T HN 0.210 nan 8.240 nan 0.000 0.514 3151 P HA 0.055 nan 4.420 nan 0.000 0.266 3151 P C 0.912 178.151 177.300 -0.102 0.000 1.193 3151 P CA -0.262 62.786 63.100 -0.086 0.000 0.770 3151 P CB 0.725 32.349 31.700 -0.125 0.000 0.836 3152 K N 2.804 123.156 120.400 -0.081 0.000 2.063 3152 K HA -0.202 4.107 4.320 -0.019 0.000 0.208 3152 K C 1.812 178.354 176.600 -0.097 0.000 1.048 3152 K CA 1.816 58.065 56.287 -0.063 0.000 0.928 3152 K CB -0.598 31.883 32.500 -0.032 0.000 0.713 3152 K HN 0.467 nan 8.250 nan 0.000 0.442 3153 A N 0.846 123.574 122.820 -0.154 0.000 1.972 3153 A HA -0.206 4.102 4.320 -0.019 0.000 0.219 3153 A C 1.963 179.346 177.584 -0.336 0.000 1.169 3153 A CA 1.783 53.699 52.037 -0.201 0.000 0.635 3153 A CB -0.470 18.402 19.000 -0.213 0.000 0.810 3153 A HN 0.561 nan 8.150 nan 0.000 0.446 3154 E N -0.340 119.572 120.200 -0.480 0.000 2.072 3154 E HA -0.113 4.226 4.350 -0.019 0.000 0.190 3154 E C 1.805 178.362 176.600 -0.072 0.000 0.982 3154 E CA 0.976 57.152 56.400 -0.373 0.000 0.803 3154 E CB -0.187 29.360 29.700 -0.255 0.000 0.755 3154 E HN 0.644 nan 8.360 nan 0.000 0.453 3155 I N 0.885 121.411 120.570 -0.073 0.000 2.226 3155 I HA -0.248 3.911 4.170 -0.019 0.000 0.245 3155 I C 2.116 178.227 176.117 -0.009 0.000 1.100 3155 I CA 1.373 62.657 61.300 -0.027 0.000 1.374 3155 I CB -0.063 37.923 38.000 -0.023 0.000 1.057 3155 I HN 0.153 nan 8.210 nan 0.000 0.413 3156 E N 0.337 120.528 120.200 -0.016 0.000 2.216 3156 E HA -0.006 4.333 4.350 -0.019 0.000 0.192 3156 E C 1.291 177.907 176.600 0.027 0.000 0.988 3156 E CA 0.417 56.819 56.400 0.004 0.000 0.834 3156 E CB -0.114 29.586 29.700 -0.001 0.000 0.772 3156 E HN 0.498 nan 8.360 nan 0.000 0.479 3157 G N 0.782 109.613 108.800 0.051 0.000 2.651 3157 G HA2 0.047 3.996 3.960 -0.019 0.000 0.260 3157 G HA3 0.047 3.996 3.960 -0.019 0.000 0.260 3157 G C -0.193 174.760 174.900 0.088 0.000 1.216 3157 G CA -0.508 44.661 45.100 0.114 0.000 0.913 3157 G HN 0.008 nan 8.290 nan 0.000 0.535 3158 E N -1.262 118.982 120.200 0.073 0.000 2.280 3158 E HA 0.252 4.591 4.350 -0.019 0.000 0.261 3158 E C -0.121 176.503 176.600 0.040 0.000 1.088 3158 E CA -0.491 55.934 56.400 0.041 0.000 0.915 3158 E CB 1.685 31.397 29.700 0.020 0.000 1.141 3158 E HN 0.233 nan 8.360 nan 0.000 0.433 3159 I N 1.232 121.815 120.570 0.022 0.000 2.452 3159 I HA 0.094 4.253 4.170 -0.019 0.000 0.287 3159 I C 1.136 177.251 176.117 -0.004 0.000 1.079 3159 I CA 0.973 62.281 61.300 0.012 0.000 1.387 3159 I CB 0.403 38.408 38.000 0.007 0.000 1.404 3159 I HN 0.876 nan 8.210 nan 0.000 0.522 3160 G N 4.029 112.818 108.800 -0.018 0.000 2.253 3160 G HA2 -0.198 3.751 3.960 -0.019 0.000 0.209 3160 G HA3 -0.198 3.751 3.960 -0.019 0.000 0.209 3160 G C -0.014 174.839 174.900 -0.077 0.000 0.997 3160 G CA -0.655 44.422 45.100 -0.038 0.000 0.640 3160 G HN 0.528 nan 8.290 nan 0.000 0.496 3161 D N 1.090 121.429 120.400 -0.101 0.000 2.443 3161 D HA 0.455 5.084 4.640 -0.019 0.000 0.239 3161 D C 0.367 176.415 176.300 -0.420 0.000 1.136 3161 D CA 0.753 54.615 54.000 -0.229 0.000 0.879 3161 D CB 1.510 42.185 40.800 -0.208 0.000 1.195 3161 D HN 0.158 nan 8.370 nan 0.000 0.443 3162 S N 1.700 117.149 115.700 -0.419 0.000 2.438 3162 S HA 0.189 4.648 4.470 -0.019 0.000 0.293 3162 S C -0.606 173.706 174.600 -0.481 0.000 1.141 3162 S CA -0.659 57.335 58.200 -0.342 0.000 1.080 3162 S CB 0.133 63.235 63.200 -0.164 0.000 0.978 3162 S HN 0.316 nan 8.310 nan 0.000 0.479 3163 H N 5.098 124.159 119.070 -0.014 0.000 2.317 3163 H HA 0.238 4.782 4.556 -0.018 0.000 0.231 3163 H C -0.325 174.993 175.328 -0.017 0.000 1.442 3163 H CA -0.335 55.704 56.048 -0.015 0.000 1.336 3163 H CB -0.060 29.693 29.762 -0.015 0.000 1.533 3163 H HN 0.558 nan 8.280 nan 0.000 0.522 3164 M N 0.412 120.040 119.600 0.047 0.000 2.336 3164 M HA -0.024 4.445 4.480 -0.019 0.000 0.371 3164 M C 1.300 177.616 176.300 0.027 0.000 1.542 3164 M CA 1.194 56.508 55.300 0.022 0.000 0.959 3164 M CB 0.381 32.981 32.600 0.001 0.000 2.033 3164 M HN 0.838 nan 8.290 nan 0.000 0.472 3165 G N 3.063 111.872 108.800 0.016 0.000 2.244 3165 G HA2 -0.290 3.659 3.960 -0.019 0.000 0.274 3165 G HA3 -0.290 3.659 3.960 -0.019 0.000 0.274 3165 G C 0.718 175.622 174.900 0.006 0.000 1.002 3165 G CA 0.610 45.714 45.100 0.006 0.000 0.740 3165 G HN 0.776 nan 8.290 nan 0.000 0.516 3166 L N -0.586 120.650 121.223 0.021 0.000 2.005 3166 L HA 0.085 4.414 4.340 -0.019 0.000 0.207 3166 L C 3.157 180.016 176.870 -0.019 0.000 1.072 3166 L CA 2.188 57.031 54.840 0.003 0.000 0.744 3166 L CB -0.557 41.506 42.059 0.006 0.000 0.895 3166 L HN 0.416 nan 8.230 nan 0.000 0.433 3167 A N -0.420 122.390 122.820 -0.017 0.000 1.933 3167 A HA -0.168 4.141 4.320 -0.019 0.000 0.218 3167 A C 2.400 179.960 177.584 -0.039 0.000 1.175 3167 A CA 1.602 53.621 52.037 -0.031 0.000 0.628 3167 A CB -0.727 18.258 19.000 -0.025 0.000 0.814 3167 A HN 0.539 nan 8.150 nan 0.000 0.444 3168 A N -0.362 122.440 122.820 -0.029 0.000 1.877 3168 A HA -0.168 4.141 4.320 -0.019 0.000 0.216 3168 A C 2.255 179.820 177.584 -0.031 0.000 1.186 3168 A CA 1.773 53.791 52.037 -0.031 0.000 0.620 3168 A CB -0.461 18.529 19.000 -0.018 0.000 0.822 3168 A HN 0.526 nan 8.150 nan 0.000 0.443 3169 R N -1.053 119.433 120.500 -0.025 0.000 2.115 3169 R HA -0.044 4.285 4.340 -0.019 0.000 0.230 3169 R C 2.260 178.541 176.300 -0.032 0.000 1.111 3169 R CA 1.481 57.567 56.100 -0.023 0.000 0.976 3169 R CB -0.276 30.014 30.300 -0.017 0.000 0.870 3169 R HN 0.661 nan 8.270 nan 0.000 0.445 3170 M N -0.403 119.174 119.600 -0.038 0.000 2.099 3170 M HA -0.178 4.291 4.480 -0.019 0.000 0.262 3170 M C 1.706 177.969 176.300 -0.062 0.000 1.067 3170 M CA 1.488 56.761 55.300 -0.044 0.000 1.124 3170 M CB 0.051 32.625 32.600 -0.044 0.000 1.353 3170 M HN 0.185 nan 8.290 nan 0.000 0.410 3171 M N -0.373 119.179 119.600 -0.081 0.000 2.117 3171 M HA -0.172 4.297 4.480 -0.019 0.000 0.262 3171 M C 2.440 178.658 176.300 -0.137 0.000 1.065 3171 M CA 1.560 56.782 55.300 -0.130 0.000 1.114 3171 M CB -1.383 31.129 32.600 -0.146 0.000 1.361 3171 M HN 0.392 nan 8.290 nan 0.000 0.408 3172 S N -0.154 115.493 115.700 -0.087 0.000 2.368 3172 S HA -0.210 4.249 4.470 -0.019 0.000 0.225 3172 S C 1.892 176.436 174.600 -0.094 0.000 1.030 3172 S CA 1.578 59.736 58.200 -0.069 0.000 0.999 3172 S CB -0.136 63.052 63.200 -0.020 0.000 0.844 3172 S HN 0.551 nan 8.310 nan 0.000 0.459 3173 Q N 0.118 119.879 119.800 -0.065 0.000 2.079 3173 Q HA -0.054 4.275 4.340 -0.019 0.000 0.200 3173 Q C 2.210 178.164 176.000 -0.077 0.000 0.974 3173 Q CA 1.341 57.117 55.803 -0.045 0.000 0.840 3173 Q CB -0.428 28.304 28.738 -0.010 0.000 0.898 3173 Q HN 0.620 nan 8.270 nan 0.000 0.430 3174 A N 0.929 123.693 122.820 -0.093 0.000 1.883 3174 A HA -0.233 4.076 4.320 -0.019 0.000 0.217 3174 A C 2.063 179.549 177.584 -0.163 0.000 1.186 3174 A CA 1.827 53.810 52.037 -0.089 0.000 0.624 3174 A CB -0.574 18.387 19.000 -0.065 0.000 0.822 3174 A HN 0.423 nan 8.150 nan 0.000 0.444 3175 M N -0.674 118.734 119.600 -0.321 0.000 2.080 3175 M HA -0.154 4.314 4.480 -0.019 0.000 0.260 3175 M C 2.174 178.126 176.300 -0.580 0.000 1.068 3175 M CA 1.651 56.566 55.300 -0.642 0.000 1.109 3175 M CB -1.417 30.394 32.600 -1.316 0.000 1.342 3175 M HN 0.418 nan 8.290 nan 0.000 0.405 3176 R N 0.318 120.590 120.500 -0.380 0.000 2.094 3176 R HA -0.170 4.159 4.340 -0.019 0.000 0.239 3176 R C 2.322 178.587 176.300 -0.057 0.000 1.137 3176 R CA 1.648 57.685 56.100 -0.105 0.000 0.943 3176 R CB -0.253 30.032 30.300 -0.025 0.000 0.850 3176 R HN 0.449 nan 8.270 nan 0.000 0.433 3177 K N 0.234 120.594 120.400 -0.067 0.000 2.103 3177 K HA -0.079 4.230 4.320 -0.019 0.000 0.204 3177 K C 2.178 178.748 176.600 -0.049 0.000 1.052 3177 K CA 1.027 57.291 56.287 -0.039 0.000 0.945 3177 K CB -0.054 32.434 32.500 -0.019 0.000 0.722 3177 K HN 0.163 nan 8.250 nan 0.000 0.443 3178 L N 0.585 121.770 121.223 -0.063 0.000 2.044 3178 L HA -0.096 4.233 4.340 -0.019 0.000 0.205 3178 L C 2.642 179.480 176.870 -0.053 0.000 1.075 3178 L CA 0.864 55.679 54.840 -0.043 0.000 0.747 3178 L CB -0.660 41.394 42.059 -0.008 0.000 0.903 3178 L HN 0.150 nan 8.230 nan 0.000 0.435 3179 A N 0.703 123.497 122.820 -0.043 0.000 1.896 3179 A HA -0.274 4.035 4.320 -0.019 0.000 0.220 3179 A C 2.359 179.828 177.584 -0.192 0.000 1.206 3179 A CA 2.391 54.429 52.037 0.003 0.000 0.647 3179 A CB -1.538 17.576 19.000 0.190 0.000 0.828 3179 A HN 0.479 nan 8.150 nan 0.000 0.455 3180 G N -0.904 107.698 108.800 -0.329 0.000 2.404 3180 G HA2 -0.260 3.688 3.960 -0.019 0.000 0.215 3180 G HA3 -0.260 3.688 3.960 -0.019 0.000 0.215 3180 G C 1.440 176.167 174.900 -0.289 0.000 1.174 3180 G CA 1.023 45.757 45.100 -0.611 0.000 0.780 3180 G HN 0.728 nan 8.290 nan 0.000 0.537 3181 N N -0.046 118.567 118.700 -0.145 0.000 2.223 3181 N HA -0.011 4.718 4.740 -0.019 0.000 0.185 3181 N C 2.184 177.658 175.510 -0.060 0.000 1.016 3181 N CA 0.433 53.438 53.050 -0.075 0.000 0.863 3181 N CB -0.117 38.344 38.487 -0.044 0.000 0.983 3181 N HN 0.240 nan 8.380 nan 0.000 0.429 3182 L N 0.671 121.856 121.223 -0.064 0.000 2.109 3182 L HA -0.108 4.221 4.340 -0.019 0.000 0.207 3182 L C 2.411 179.266 176.870 -0.024 0.000 1.086 3182 L CA 0.858 55.677 54.840 -0.036 0.000 0.760 3182 L CB -0.186 41.862 42.059 -0.019 0.000 0.910 3182 L HN 0.062 nan 8.230 nan 0.000 0.437 3183 K N 0.570 120.947 120.400 -0.039 0.000 2.025 3183 K HA -0.188 4.121 4.320 -0.019 0.000 0.207 3183 K C 2.053 178.666 176.600 0.021 0.000 1.049 3183 K CA 1.597 57.892 56.287 0.014 0.000 0.933 3183 K CB -0.217 32.325 32.500 0.069 0.000 0.714 3183 K HN 0.170 nan 8.250 nan 0.000 0.438 3184 Q N -0.524 119.275 119.800 -0.001 0.000 2.364 3184 Q HA 0.038 4.367 4.340 -0.019 0.000 0.207 3184 Q C 1.056 177.062 176.000 0.011 0.000 0.970 3184 Q CA 1.359 57.173 55.803 0.018 0.000 0.888 3184 Q CB 0.237 28.985 28.738 0.015 0.000 0.951 3184 Q HN 0.233 nan 8.270 nan 0.000 0.469 3185 S N -0.023 115.677 115.700 -0.000 0.000 2.524 3185 S HA 0.056 4.515 4.470 -0.019 0.000 0.215 3185 S C 0.234 174.834 174.600 -0.001 0.000 0.986 3185 S CA -0.080 58.119 58.200 -0.002 0.000 0.911 3185 S CB 0.295 63.489 63.200 -0.009 0.000 0.805 3185 S HN 0.453 nan 8.310 nan 0.000 0.501 3186 N N 2.028 120.730 118.700 0.004 0.000 2.735 3186 N HA -0.141 4.588 4.740 -0.019 0.000 0.248 3186 N C -1.148 174.359 175.510 -0.005 0.000 1.083 3186 N CA 0.894 53.946 53.050 0.004 0.000 0.703 3186 N CB -1.515 36.975 38.487 0.006 0.000 1.005 3186 N HN 0.261 nan 8.380 nan 0.000 0.550 3187 T N 0.777 115.324 114.554 -0.011 0.000 2.767 3187 T HA 0.429 4.768 4.350 -0.019 0.000 0.288 3187 T C 0.258 174.942 174.700 -0.026 0.000 0.963 3187 T CA -0.664 61.422 62.100 -0.023 0.000 1.019 3187 T CB 1.432 70.281 68.868 -0.031 0.000 0.923 3187 T HN 0.293 nan 8.240 nan 0.000 0.468 3188 L N 4.624 125.827 121.223 -0.033 0.000 2.331 3188 L HA 0.544 4.873 4.340 -0.019 0.000 0.278 3188 L C -0.799 176.026 176.870 -0.074 0.000 1.106 3188 L CA -0.257 54.560 54.840 -0.038 0.000 0.824 3188 L CB 0.368 42.406 42.059 -0.034 0.000 1.142 3188 L HN 0.629 nan 8.230 nan 0.000 0.443 3189 L N 6.869 128.040 121.223 -0.087 0.000 2.319 3189 L HA 0.534 4.863 4.340 -0.019 0.000 0.281 3189 L C -0.998 175.746 176.870 -0.210 0.000 1.005 3189 L CA -0.470 54.255 54.840 -0.191 0.000 0.828 3189 L CB 1.163 43.095 42.059 -0.212 0.000 1.227 3189 L HN 0.670 nan 8.230 nan 0.000 0.415 3190 I N 4.569 124.982 120.570 -0.263 0.000 2.321 3190 I HA 0.274 4.433 4.170 -0.019 0.000 0.291 3190 I C -0.809 175.122 176.117 -0.310 0.000 0.998 3190 I CA -0.291 60.901 61.300 -0.181 0.000 1.227 3190 I CB 1.250 39.190 38.000 -0.100 0.000 1.368 3190 I HN 0.396 nan 8.210 nan 0.000 0.466 3191 F N 6.609 126.534 119.950 -0.041 0.000 2.404 3191 F HA 0.462 4.978 4.527 -0.018 0.000 0.354 3191 F C 0.388 176.172 175.800 -0.025 0.000 1.122 3191 F CA -0.431 57.541 58.000 -0.047 0.000 1.080 3191 F CB 0.966 39.949 39.000 -0.027 0.000 1.131 3191 F HN 0.215 nan 8.300 nan 0.000 0.471 3192 I N 3.642 124.287 120.570 0.125 0.000 2.395 3192 I HA 0.200 4.358 4.170 -0.019 0.000 0.289 3192 I C -0.145 176.032 176.117 0.099 0.000 1.023 3192 I CA -0.065 61.293 61.300 0.097 0.000 1.350 3192 I CB 0.969 38.998 38.000 0.050 0.000 1.409 3192 I HN 0.639 nan 8.210 nan 0.000 0.507 3193 N N 4.358 123.121 118.700 0.104 0.000 2.328 3193 N HA 0.397 5.126 4.740 -0.019 0.000 0.299 3193 N C -1.177 174.321 175.510 -0.021 0.000 1.179 3193 N CA -0.693 52.378 53.050 0.035 0.000 0.793 3193 N CB 1.686 40.201 38.487 0.047 0.000 1.366 3193 N HN 0.540 nan 8.380 nan 0.000 0.493 3194 Q N 0.823 120.497 119.800 -0.209 0.000 2.180 3194 Q HA 0.497 4.825 4.340 -0.019 0.000 0.241 3194 Q C -0.670 175.119 176.000 -0.352 0.000 0.970 3194 Q CA -0.662 54.835 55.803 -0.511 0.000 0.919 3194 Q CB 2.037 30.128 28.738 -1.077 0.000 1.222 3194 Q HN 0.478 nan 8.270 nan 0.000 0.482 3195 I N 1.481 121.857 120.570 -0.322 0.000 2.359 3195 I HA 0.353 4.511 4.170 -0.019 0.000 0.294 3195 I C -0.010 176.059 176.117 -0.081 0.000 0.987 3195 I CA -0.647 60.599 61.300 -0.089 0.000 1.225 3195 I CB 0.774 38.851 38.000 0.128 0.000 1.366 3195 I HN 0.329 nan 8.210 nan 0.000 0.466 3196 R N 4.561 125.014 120.500 -0.077 0.000 2.902 3196 R HA 0.630 4.959 4.340 -0.019 0.000 0.258 3196 R C -0.943 175.344 176.300 -0.022 0.000 1.071 3196 R CA -1.338 54.743 56.100 -0.031 0.000 1.024 3196 R CB 1.512 31.780 30.300 -0.053 0.000 1.184 3196 R HN 0.390 nan 8.270 nan 0.000 0.492 3197 M N 1.917 121.511 119.600 -0.011 0.000 2.238 3197 M HA 0.244 4.713 4.480 -0.019 0.000 0.350 3197 M C -0.174 176.103 176.300 -0.039 0.000 1.138 3197 M CA -0.356 54.931 55.300 -0.023 0.000 1.040 3197 M CB 0.947 33.539 32.600 -0.014 0.000 1.639 3197 M HN 0.289 nan 8.290 nan 0.000 0.451 3198 K N 4.709 125.077 120.400 -0.053 0.000 2.144 3198 K HA 0.577 4.886 4.320 -0.019 0.000 0.270 3198 K C -0.898 175.661 176.600 -0.068 0.000 1.005 3198 K CA -0.552 55.701 56.287 -0.057 0.000 0.932 3198 K CB 1.510 33.974 32.500 -0.059 0.000 1.021 3198 K HN 0.852 nan 8.250 nan 0.000 0.462 3199 I N -0.200 120.335 120.570 -0.058 0.000 2.465 3199 I HA 0.429 4.588 4.170 -0.019 0.000 0.291 3199 I C -0.173 175.908 176.117 -0.060 0.000 1.014 3199 I CA 0.141 61.405 61.300 -0.059 0.000 1.093 3199 I CB 1.527 39.501 38.000 -0.042 0.000 1.267 3199 I HN 1.020 nan 8.210 nan 0.000 0.431 3200 G N 5.125 113.881 108.800 -0.073 0.000 2.288 3200 G HA2 -0.114 3.835 3.960 -0.019 0.000 0.205 3200 G HA3 -0.114 3.835 3.960 -0.019 0.000 0.205 3200 G C -0.877 173.958 174.900 -0.109 0.000 1.071 3200 G CA 0.041 45.103 45.100 -0.063 0.000 0.788 3200 G HN 0.999 nan 8.290 nan 0.000 0.491 3201 V N 2.040 121.830 119.914 -0.207 0.000 2.524 3201 V HA 0.700 4.808 4.120 -0.019 0.000 0.297 3201 V C 1.009 176.834 176.094 -0.448 0.000 1.035 3201 V CA -0.239 61.775 62.300 -0.476 0.000 0.867 3201 V CB 1.215 32.707 31.823 -0.553 0.000 1.004 3201 V HN 0.368 nan 8.190 nan 0.000 0.426 3202 M N 6.015 125.354 119.600 -0.435 0.000 2.615 3202 M HA 0.285 4.754 4.480 -0.019 0.000 0.262 3202 M C 0.741 176.956 176.300 -0.142 0.000 1.198 3202 M CA 0.604 55.792 55.300 -0.188 0.000 1.165 3202 M CB -0.471 32.115 32.600 -0.024 0.000 1.310 3202 M HN 0.611 nan 8.290 nan 0.000 0.494 3203 F N 1.633 121.581 119.950 -0.003 0.000 2.390 3203 F HA 0.684 5.200 4.527 -0.019 0.000 0.307 3203 F C 1.286 177.084 175.800 -0.003 0.000 1.227 3203 F CA -0.404 57.594 58.000 -0.003 0.000 1.179 3203 F CB -0.916 38.083 39.000 -0.003 0.000 1.280 3203 F HN 0.418 nan 8.300 nan 0.000 0.548 3204 G N 1.108 110.047 108.800 0.233 0.000 2.602 3204 G HA2 -0.294 3.655 3.960 -0.019 0.000 0.306 3204 G HA3 -0.294 3.655 3.960 -0.019 0.000 0.306 3204 G C -0.671 174.232 174.900 0.006 0.000 1.301 3204 G CA 0.353 45.538 45.100 0.141 0.000 0.974 3204 G HN 1.462 nan 8.290 nan 0.000 0.547 3205 N N 1.087 119.783 118.700 -0.006 0.000 2.272 3205 N HA 0.539 5.268 4.740 -0.019 0.000 0.305 3205 N C -1.719 173.748 175.510 -0.072 0.000 1.103 3205 N CA -1.369 51.661 53.050 -0.035 0.000 0.791 3205 N CB 2.473 40.962 38.487 0.005 0.000 1.356 3205 N HN 0.332 nan 8.380 nan 0.000 0.486 3206 P HA 0.148 nan 4.420 nan 0.000 0.249 3206 P C -0.383 176.878 177.300 -0.065 0.000 1.229 3206 P CA 0.364 63.404 63.100 -0.099 0.000 0.788 3206 P CB 0.532 32.175 31.700 -0.094 0.000 1.072 3207 E N 0.292 120.465 120.200 -0.045 0.000 2.366 3207 E HA 0.301 4.640 4.350 -0.019 0.000 0.266 3207 E C 0.065 176.613 176.600 -0.086 0.000 1.051 3207 E CA 0.332 56.705 56.400 -0.045 0.000 0.884 3207 E CB 0.706 30.396 29.700 -0.017 0.000 1.006 3207 E HN 0.122 nan 8.360 nan 0.000 0.417 3208 T N 0.104 114.591 114.554 -0.112 0.000 2.618 3208 T HA 0.446 4.785 4.350 -0.019 0.000 0.293 3208 T C -0.523 174.049 174.700 -0.214 0.000 1.093 3208 T CA -0.772 61.233 62.100 -0.158 0.000 1.061 3208 T CB 1.710 70.514 68.868 -0.106 0.000 1.498 3208 T HN 0.312 nan 8.240 nan 0.000 0.494 3209 T N 1.654 116.083 114.554 -0.208 0.000 2.912 3209 T HA 0.623 4.962 4.350 -0.019 0.000 0.299 3209 T C -0.554 174.058 174.700 -0.146 0.000 1.052 3209 T CA -0.538 61.428 62.100 -0.223 0.000 0.996 3209 T CB 1.546 70.237 68.868 -0.296 0.000 1.070 3209 T HN 0.762 nan 8.240 nan 0.000 0.465 3210 T N 0.965 115.438 114.554 -0.134 0.000 2.868 3210 T HA 0.504 4.843 4.350 -0.019 0.000 0.292 3210 T C 1.232 175.877 174.700 -0.092 0.000 1.028 3210 T CA 0.298 62.338 62.100 -0.100 0.000 1.059 3210 T CB 0.643 69.455 68.868 -0.093 0.000 0.991 3210 T HN 1.169 nan 8.240 nan 0.000 0.531 3211 G N 0.288 109.044 108.800 -0.072 0.000 2.204 3211 G HA2 0.265 4.214 3.960 -0.019 0.000 0.244 3211 G HA3 0.265 4.214 3.960 -0.019 0.000 0.244 3211 G C 0.699 175.558 174.900 -0.069 0.000 1.062 3211 G CA 0.118 45.172 45.100 -0.076 0.000 0.798 3211 G HN 1.853 nan 8.290 nan 0.000 0.496 3212 G N -0.361 108.412 108.800 -0.046 0.000 2.593 3212 G HA2 -0.188 3.761 3.960 -0.019 0.000 0.237 3212 G HA3 -0.188 3.761 3.960 -0.019 0.000 0.237 3212 G C 0.549 175.451 174.900 0.004 0.000 1.312 3212 G CA 0.501 45.590 45.100 -0.019 0.000 0.896 3212 G HN 0.951 nan 8.290 nan 0.000 0.574 3213 N N 0.362 119.097 118.700 0.059 0.000 2.250 3213 N HA 0.234 4.963 4.740 -0.019 0.000 0.190 3213 N C 2.389 178.059 175.510 0.267 0.000 1.116 3213 N CA 1.153 54.290 53.050 0.145 0.000 0.881 3213 N CB 0.283 38.894 38.487 0.206 0.000 1.006 3213 N HN 0.842 nan 8.380 nan 0.000 0.491 3214 A N 1.596 124.531 122.820 0.191 0.000 1.865 3214 A HA -0.150 4.159 4.320 -0.019 0.000 0.217 3214 A C 2.168 179.960 177.584 0.346 0.000 1.191 3214 A CA 1.155 53.358 52.037 0.276 0.000 0.623 3214 A CB -0.741 18.320 19.000 0.100 0.000 0.826 3214 A HN 0.199 nan 8.150 nan 0.000 0.444 3215 L N 0.030 121.323 121.223 0.117 0.000 2.079 3215 L HA -0.175 4.154 4.340 -0.019 0.000 0.210 3215 L C 2.243 179.187 176.870 0.123 0.000 1.081 3215 L CA 2.265 57.141 54.840 0.060 0.000 0.752 3215 L CB -0.568 41.408 42.059 -0.139 0.000 0.896 3215 L HN 0.397 nan 8.230 nan 0.000 0.433 3216 K N -1.224 119.218 120.400 0.070 0.000 2.074 3216 K HA -0.233 4.076 4.320 -0.019 0.000 0.209 3216 K C 2.033 178.583 176.600 -0.083 0.000 1.048 3216 K CA 2.068 58.322 56.287 -0.055 0.000 0.926 3216 K CB -0.464 31.904 32.500 -0.220 0.000 0.713 3216 K HN 0.279 nan 8.250 nan 0.000 0.444 3217 F N -0.686 119.301 119.950 0.061 0.000 2.149 3217 F HA -0.095 4.421 4.527 -0.018 0.000 0.294 3217 F C 2.108 177.879 175.800 -0.048 0.000 1.095 3217 F CA 1.040 59.031 58.000 -0.014 0.000 1.276 3217 F CB -0.379 38.577 39.000 -0.074 0.000 1.023 3217 F HN -0.037 nan 8.300 nan 0.000 0.480 3218 Y N 0.213 120.642 120.300 0.215 0.000 2.373 3218 Y HA 0.164 4.703 4.550 -0.019 0.000 0.293 3218 Y C 1.676 177.639 175.900 0.104 0.000 1.129 3218 Y CA 0.021 58.207 58.100 0.142 0.000 1.226 3218 Y CB -0.805 37.721 38.460 0.109 0.000 1.000 3218 Y HN -0.110 nan 8.280 nan 0.000 0.549 3219 A N -0.013 122.939 122.820 0.220 0.000 2.546 3219 A HA 0.093 4.402 4.320 -0.019 0.000 0.243 3219 A C 1.248 178.878 177.584 0.077 0.000 1.063 3219 A CA 0.573 52.695 52.037 0.141 0.000 0.757 3219 A CB 0.088 19.153 19.000 0.108 0.000 0.991 3219 A HN 0.359 nan 8.150 nan 0.000 0.503 3220 S N 0.626 116.361 115.700 0.060 0.000 2.486 3220 S HA 0.197 4.656 4.470 -0.019 0.000 0.220 3220 S C 0.321 174.901 174.600 -0.034 0.000 1.011 3220 S CA 0.442 58.648 58.200 0.010 0.000 0.921 3220 S CB 0.132 63.341 63.200 0.016 0.000 0.785 3220 S HN 0.566 nan 8.310 nan 0.000 0.517 3221 V N 2.393 122.297 119.914 -0.017 0.000 2.733 3221 V HA 0.457 4.566 4.120 -0.019 0.000 0.306 3221 V C -0.901 175.179 176.094 -0.022 0.000 1.084 3221 V CA -0.843 61.429 62.300 -0.047 0.000 0.905 3221 V CB 2.137 33.933 31.823 -0.045 0.000 1.010 3221 V HN 0.141 nan 8.190 nan 0.000 0.424 3222 R N 4.251 124.721 120.500 -0.050 0.000 2.480 3222 R HA 0.669 4.998 4.340 -0.019 0.000 0.306 3222 R C -1.842 174.395 176.300 -0.105 0.000 0.958 3222 R CA -0.903 55.183 56.100 -0.023 0.000 0.861 3222 R CB 2.250 32.582 30.300 0.053 0.000 1.171 3222 R HN 0.340 nan 8.270 nan 0.000 0.445 3223 L N 2.446 123.573 121.223 -0.161 0.000 2.313 3223 L HA 0.284 4.613 4.340 -0.019 0.000 0.283 3223 L C -0.174 176.386 176.870 -0.517 0.000 1.013 3223 L CA -0.532 54.172 54.840 -0.226 0.000 0.816 3223 L CB 1.401 43.392 42.059 -0.113 0.000 1.236 3223 L HN 0.490 nan 8.230 nan 0.000 0.419 3224 D N 4.357 124.464 120.400 -0.489 0.000 2.443 3224 D HA 0.242 4.871 4.640 -0.019 0.000 0.221 3224 D C -0.580 175.588 176.300 -0.221 0.000 1.097 3224 D CA -0.202 53.449 54.000 -0.582 0.000 0.865 3224 D CB 0.798 41.401 40.800 -0.329 0.000 1.034 3224 D HN 0.452 nan 8.370 nan 0.000 0.511 3225 I N 3.364 123.841 120.570 -0.155 0.000 2.392 3225 I HA 0.469 4.628 4.170 -0.019 0.000 0.295 3225 I C -0.626 175.490 176.117 -0.003 0.000 0.985 3225 I CA -0.633 60.641 61.300 -0.044 0.000 1.221 3225 I CB 0.600 38.610 38.000 0.016 0.000 1.366 3225 I HN 0.246 nan 8.210 nan 0.000 0.467 3226 R N 5.647 126.134 120.500 -0.022 0.000 2.584 3226 R HA 0.372 4.701 4.340 -0.019 0.000 0.276 3226 R C -1.099 175.185 176.300 -0.027 0.000 1.046 3226 R CA -0.895 55.204 56.100 -0.000 0.000 0.906 3226 R CB 1.995 32.300 30.300 0.008 0.000 1.215 3226 R HN 0.569 nan 8.270 nan 0.000 0.449 3227 R N 3.990 124.494 120.500 0.007 0.000 2.298 3227 R HA 0.185 4.514 4.340 -0.019 0.000 0.310 3227 R C 0.689 176.983 176.300 -0.010 0.000 1.068 3227 R CA 0.119 56.223 56.100 0.006 0.000 0.957 3227 R CB 0.474 30.812 30.300 0.063 0.000 1.003 3227 R HN 0.776 nan 8.270 nan 0.000 0.454 3228 I N 0.423 120.970 120.570 -0.038 0.000 4.181 3228 I HA 0.486 4.645 4.170 -0.019 0.000 0.331 3228 I C 0.453 176.547 176.117 -0.039 0.000 1.312 3228 I CA -0.202 61.075 61.300 -0.039 0.000 1.146 3228 I CB 1.054 39.022 38.000 -0.054 0.000 1.074 3228 I HN 0.626 nan 8.210 nan 0.000 0.402 3229 G N 1.059 109.833 108.800 -0.043 0.000 2.441 3229 G HA2 0.666 4.615 3.960 -0.019 0.000 0.294 3229 G HA3 0.666 4.615 3.960 -0.019 0.000 0.294 3229 G C -1.978 172.886 174.900 -0.059 0.000 1.393 3229 G CA -0.232 44.835 45.100 -0.054 0.000 0.796 3229 G HN 0.297 nan 8.290 nan 0.000 0.494 3230 A N -0.548 122.222 122.820 -0.083 0.000 2.317 3230 A HA 0.723 5.032 4.320 -0.019 0.000 0.327 3230 A C -0.265 177.275 177.584 -0.072 0.000 1.178 3230 A CA -0.530 51.454 52.037 -0.089 0.000 0.817 3230 A CB 1.556 20.462 19.000 -0.156 0.000 1.189 3230 A HN 1.327 nan 8.150 nan 0.000 0.489 3231 V N 3.778 123.646 119.914 -0.078 0.000 2.389 3231 V HA 0.194 4.303 4.120 -0.019 0.000 0.264 3231 V C 0.361 176.424 176.094 -0.051 0.000 1.049 3231 V CA 0.005 62.261 62.300 -0.072 0.000 0.932 3231 V CB 0.323 32.087 31.823 -0.100 0.000 1.011 3231 V HN 0.845 nan 8.190 nan 0.000 0.475 3232 K N 3.343 123.723 120.400 -0.034 0.000 2.156 3232 K HA 0.481 4.790 4.320 -0.019 0.000 0.254 3232 K C -0.121 176.475 176.600 -0.007 0.000 0.950 3232 K CA -0.711 55.567 56.287 -0.016 0.000 0.849 3232 K CB 1.721 34.209 32.500 -0.021 0.000 1.100 3232 K HN 0.474 nan 8.250 nan 0.000 0.434 3233 E N 1.822 122.026 120.200 0.007 0.000 3.312 3233 E HA 0.124 4.463 4.350 -0.019 0.000 0.215 3233 E C 0.551 177.158 176.600 0.012 0.000 1.160 3233 E CA -0.142 56.265 56.400 0.011 0.000 1.267 3233 E CB 0.735 30.448 29.700 0.022 0.000 1.361 3233 E HN 1.008 nan 8.360 nan 0.000 0.433 3234 G N 2.579 111.382 108.800 0.005 0.000 4.230 3234 G HA2 -0.432 3.516 3.960 -0.019 0.000 0.340 3234 G HA3 -0.432 3.516 3.960 -0.019 0.000 0.340 3234 G C 1.169 176.074 174.900 0.008 0.000 1.315 3234 G CA 0.725 45.828 45.100 0.004 0.000 1.033 3234 G HN 0.450 nan 8.290 nan 0.000 0.741 3235 E N 1.882 122.091 120.200 0.015 0.000 2.021 3235 E HA -0.000 4.339 4.350 -0.019 0.000 0.189 3235 E C 1.190 177.809 176.600 0.031 0.000 0.980 3235 E CA 0.909 57.322 56.400 0.021 0.000 0.803 3235 E CB -0.375 29.340 29.700 0.025 0.000 0.766 3235 E HN 0.688 nan 8.360 nan 0.000 0.449 3236 N N 0.331 119.056 118.700 0.041 0.000 2.525 3236 N HA 0.115 4.844 4.740 -0.019 0.000 0.271 3236 N C -0.783 174.771 175.510 0.074 0.000 1.194 3236 N CA -0.147 52.943 53.050 0.067 0.000 0.964 3236 N CB 1.547 40.078 38.487 0.074 0.000 1.126 3236 N HN -0.199 nan 8.380 nan 0.000 0.452 3237 V N 2.172 122.162 119.914 0.127 0.000 2.334 3237 V HA 0.097 4.206 4.120 -0.019 0.000 0.267 3237 V C 0.586 176.830 176.094 0.249 0.000 1.040 3237 V CA -0.264 62.132 62.300 0.159 0.000 0.866 3237 V CB 1.052 32.997 31.823 0.203 0.000 1.019 3237 V HN 0.568 nan 8.190 nan 0.000 0.468 3238 V N 4.427 124.402 119.914 0.103 0.000 3.660 3238 V HA 0.628 4.737 4.120 -0.019 0.000 0.276 3238 V C 0.848 176.763 176.094 -0.298 0.000 1.317 3238 V CA 1.228 63.565 62.300 0.061 0.000 1.097 3238 V CB 0.259 32.104 31.823 0.036 0.000 0.863 3238 V HN 0.901 nan 8.190 nan 0.000 0.438 3239 G N -1.171 107.300 108.800 -0.550 0.000 2.559 3239 G HA2 0.467 4.416 3.960 -0.019 0.000 0.291 3239 G HA3 0.467 4.416 3.960 -0.019 0.000 0.291 3239 G C -1.450 173.130 174.900 -0.534 0.000 1.424 3239 G CA -0.291 44.213 45.100 -0.992 0.000 0.786 3239 G HN -0.008 nan 8.290 nan 0.000 0.485 3240 S N -0.089 115.405 115.700 -0.342 0.000 2.437 3240 S HA 0.492 4.951 4.470 -0.019 0.000 0.305 3240 S C -0.334 174.236 174.600 -0.048 0.000 1.109 3240 S CA -0.417 57.770 58.200 -0.023 0.000 1.099 3240 S CB 1.658 64.957 63.200 0.166 0.000 1.004 3240 S HN 0.586 nan 8.310 nan 0.000 0.475 3241 E N 2.198 122.365 120.200 -0.056 0.000 2.290 3241 E HA 0.314 4.653 4.350 -0.019 0.000 0.277 3241 E C -0.611 175.911 176.600 -0.130 0.000 1.035 3241 E CA 0.341 56.691 56.400 -0.084 0.000 0.873 3241 E CB 0.545 30.202 29.700 -0.071 0.000 1.029 3241 E HN 0.446 nan 8.360 nan 0.000 0.419 3242 T N 5.008 119.404 114.554 -0.264 0.000 2.876 3242 T HA 0.499 4.837 4.350 -0.019 0.000 0.289 3242 T C -0.761 173.610 174.700 -0.550 0.000 1.014 3242 T CA -0.753 61.097 62.100 -0.416 0.000 0.986 3242 T CB 1.229 69.751 68.868 -0.577 0.000 1.021 3242 T HN 0.325 nan 8.240 nan 0.000 0.458 3243 R N 2.191 122.474 120.500 -0.361 0.000 2.513 3243 R HA 0.674 5.003 4.340 -0.019 0.000 0.301 3243 R C -1.822 174.370 176.300 -0.179 0.000 0.968 3243 R CA -0.507 55.436 56.100 -0.262 0.000 0.872 3243 R CB 1.327 31.548 30.300 -0.132 0.000 1.177 3243 R HN 0.452 nan 8.270 nan 0.000 0.444 3244 V N 4.725 124.569 119.914 -0.116 0.000 2.448 3244 V HA 0.398 4.507 4.120 -0.019 0.000 0.295 3244 V C -0.209 175.879 176.094 -0.009 0.000 1.025 3244 V CA -0.815 61.469 62.300 -0.027 0.000 0.859 3244 V CB 1.772 33.646 31.823 0.085 0.000 0.988 3244 V HN 0.661 nan 8.190 nan 0.000 0.431 3245 K N 2.899 123.283 120.400 -0.026 0.000 2.159 3245 K HA 0.592 4.901 4.320 -0.019 0.000 0.266 3245 K C -0.911 175.668 176.600 -0.035 0.000 0.975 3245 K CA -0.685 55.603 56.287 0.001 0.000 0.865 3245 K CB 2.218 34.740 32.500 0.036 0.000 1.087 3245 K HN 0.459 nan 8.250 nan 0.000 0.446 3246 V N 4.617 124.512 119.914 -0.032 0.000 2.338 3246 V HA 0.002 4.111 4.120 -0.019 0.000 0.255 3246 V C 1.098 177.079 176.094 -0.188 0.000 1.082 3246 V CA -0.075 62.161 62.300 -0.108 0.000 0.951 3246 V CB 0.766 32.518 31.823 -0.118 0.000 1.102 3246 V HN 0.667 nan 8.190 nan 0.000 0.489 3247 V N 3.748 123.568 119.914 -0.156 0.000 2.649 3247 V HA 0.075 4.184 4.120 -0.019 0.000 0.248 3247 V C 0.966 176.867 176.094 -0.321 0.000 1.054 3247 V CA 1.315 63.543 62.300 -0.120 0.000 1.073 3247 V CB -0.069 31.791 31.823 0.063 0.000 0.699 3247 V HN 0.780 nan 8.190 nan 0.000 0.463 3248 K N 0.776 121.017 120.400 -0.265 0.000 2.422 3248 K HA 0.414 4.723 4.320 -0.019 0.000 0.251 3248 K C -1.530 174.905 176.600 -0.276 0.000 0.933 3248 K CA -0.592 55.521 56.287 -0.289 0.000 0.798 3248 K CB 1.763 34.173 32.500 -0.149 0.000 1.238 3248 K HN 0.135 nan 8.250 nan 0.000 0.428 3249 N N 2.916 121.422 118.700 -0.323 0.000 2.519 3249 N HA 0.219 4.948 4.740 -0.019 0.000 0.291 3249 N C -0.958 174.384 175.510 -0.280 0.000 1.107 3249 N CA -0.377 52.507 53.050 -0.276 0.000 0.904 3249 N CB 1.696 39.998 38.487 -0.309 0.000 1.500 3249 N HN 0.633 nan 8.380 nan 0.000 0.510 3250 K N 2.385 122.661 120.400 -0.206 0.000 2.358 3250 K HA 0.298 4.607 4.320 -0.019 0.000 0.197 3250 K C 0.627 177.091 176.600 -0.227 0.000 1.025 3250 K CA 0.167 56.330 56.287 -0.208 0.000 1.104 3250 K CB 0.541 32.975 32.500 -0.110 0.000 0.855 3250 K HN 0.395 nan 8.250 nan 0.000 0.531 3251 I N -0.419 120.029 120.570 -0.204 0.000 4.312 3251 I HA 0.203 4.361 4.170 -0.019 0.000 0.324 3251 I C -0.092 175.935 176.117 -0.151 0.000 1.298 3251 I CA -0.088 61.125 61.300 -0.145 0.000 1.231 3251 I CB 1.233 39.180 38.000 -0.088 0.000 1.152 3251 I HN -0.055 nan 8.210 nan 0.000 0.421 3252 A N -0.296 122.405 122.820 -0.198 0.000 2.536 3252 A HA 0.839 5.148 4.320 -0.019 0.000 0.293 3252 A C -0.901 176.538 177.584 -0.242 0.000 1.119 3252 A CA -0.209 51.730 52.037 -0.163 0.000 0.654 3252 A CB -0.027 18.918 19.000 -0.092 0.000 1.291 3252 A HN 0.070 nan 8.150 nan 0.000 0.439 3253 A N 1.373 124.088 122.820 -0.175 0.000 2.540 3253 A HA 0.545 4.854 4.320 -0.019 0.000 0.239 3253 A C -1.983 175.421 177.584 -0.299 0.000 1.061 3253 A CA -0.246 51.638 52.037 -0.254 0.000 0.758 3253 A CB -0.754 18.237 19.000 -0.015 0.000 0.991 3253 A HN 0.544 nan 8.150 nan 0.000 0.502 3254 P HA 0.541 nan 4.420 nan 0.000 0.284 3254 P C -0.202 176.937 177.300 -0.268 0.000 1.292 3254 P CA -0.326 62.443 63.100 -0.553 0.000 0.800 3254 P CB 0.221 31.311 31.700 -1.018 0.000 1.188 3255 F N -4.432 115.491 119.950 -0.046 0.000 2.746 3255 F HA -0.196 4.320 4.527 -0.019 0.000 0.315 3255 F C 0.642 176.452 175.800 0.017 0.000 0.666 3255 F CA 0.688 58.692 58.000 0.006 0.000 1.381 3255 F CB -2.406 36.625 39.000 0.052 0.000 1.739 3255 F HN 0.227 nan 8.300 nan 0.000 0.322 3256 K N 1.206 121.671 120.400 0.109 0.000 2.126 3256 K HA 0.544 4.853 4.320 -0.019 0.000 0.257 3256 K C 0.434 177.072 176.600 0.063 0.000 1.007 3256 K CA -0.416 55.921 56.287 0.083 0.000 0.928 3256 K CB 0.987 33.515 32.500 0.047 0.000 1.013 3256 K HN 0.423 nan 8.250 nan 0.000 0.473 3257 Q N -0.349 119.486 119.800 0.058 0.000 2.456 3257 Q HA 0.748 5.077 4.340 -0.019 0.000 0.283 3257 Q C -1.716 174.313 176.000 0.049 0.000 1.084 3257 Q CA -1.326 54.505 55.803 0.047 0.000 0.801 3257 Q CB 2.096 30.859 28.738 0.041 0.000 1.434 3257 Q HN 0.524 nan 8.270 nan 0.000 0.419 3258 A N 1.345 124.200 122.820 0.057 0.000 2.374 3258 A HA 0.571 4.880 4.320 -0.019 0.000 0.305 3258 A C -1.229 176.379 177.584 0.040 0.000 1.053 3258 A CA -0.680 51.419 52.037 0.103 0.000 0.726 3258 A CB 1.493 20.615 19.000 0.204 0.000 1.229 3258 A HN 0.715 nan 8.150 nan 0.000 0.431 3259 E N 1.263 121.480 120.200 0.029 0.000 2.171 3259 E HA 0.668 5.007 4.350 -0.019 0.000 0.271 3259 E C -1.227 175.384 176.600 0.019 0.000 0.916 3259 E CA -0.337 56.003 56.400 -0.100 0.000 0.774 3259 E CB 1.897 31.557 29.700 -0.068 0.000 1.128 3259 E HN 0.617 nan 8.360 nan 0.000 0.403 3260 F N -1.101 118.843 119.950 -0.011 0.000 2.789 3260 F HA 0.434 4.950 4.527 -0.018 0.000 0.319 3260 F C -1.194 174.598 175.800 -0.013 0.000 1.168 3260 F CA -1.244 56.746 58.000 -0.017 0.000 0.934 3260 F CB 1.001 39.991 39.000 -0.017 0.000 1.375 3260 F HN 0.133 nan 8.300 nan 0.000 0.480 3261 Q N 1.292 121.282 119.800 0.315 0.000 2.282 3261 Q HA 0.626 4.955 4.340 -0.019 0.000 0.260 3261 Q C -1.186 174.969 176.000 0.258 0.000 0.964 3261 Q CA -0.711 55.191 55.803 0.165 0.000 0.880 3261 Q CB 2.928 31.706 28.738 0.066 0.000 1.286 3261 Q HN 0.574 nan 8.270 nan 0.000 0.445 3262 I N 3.965 124.632 120.570 0.161 0.000 2.306 3262 I HA 0.212 4.371 4.170 -0.019 0.000 0.288 3262 I C -0.557 175.539 176.117 -0.036 0.000 1.036 3262 I CA -0.439 60.950 61.300 0.149 0.000 1.221 3262 I CB 0.573 38.709 38.000 0.226 0.000 1.385 3262 I HN 0.383 nan 8.210 nan 0.000 0.472 3263 L N 7.122 128.337 121.223 -0.014 0.000 2.281 3263 L HA 0.288 4.617 4.340 -0.019 0.000 0.285 3263 L C -0.491 176.407 176.870 0.046 0.000 1.074 3263 L CA -0.788 53.999 54.840 -0.089 0.000 0.817 3263 L CB 0.045 42.094 42.059 -0.016 0.000 1.168 3263 L HN 0.378 nan 8.230 nan 0.000 0.434 3264 Y N 2.147 122.538 120.300 0.152 0.000 2.717 3264 Y HA 0.176 4.715 4.550 -0.019 0.000 0.330 3264 Y C 1.515 177.543 175.900 0.213 0.000 1.217 3264 Y CA 0.458 58.680 58.100 0.203 0.000 1.506 3264 Y CB -0.053 38.496 38.460 0.148 0.000 1.268 3264 Y HN 0.858 nan 8.280 nan 0.000 0.561 3265 G N 1.798 110.910 108.800 0.521 0.000 2.184 3265 G HA2 -0.368 3.581 3.960 -0.019 0.000 0.264 3265 G HA3 -0.368 3.581 3.960 -0.019 0.000 0.264 3265 G C 0.929 175.872 174.900 0.071 0.000 0.975 3265 G CA 0.757 46.040 45.100 0.304 0.000 0.642 3265 G HN 0.656 nan 8.290 nan 0.000 0.536 3266 E N -1.105 119.137 120.200 0.070 0.000 2.357 3266 E HA 0.463 4.802 4.350 -0.019 0.000 0.202 3266 E C 1.365 177.951 176.600 -0.023 0.000 0.855 3266 E CA 1.302 57.709 56.400 0.012 0.000 1.048 3266 E CB 0.631 30.356 29.700 0.041 0.000 1.037 3266 E HN 1.669 nan 8.360 nan 0.000 0.499 3267 G N 0.661 109.474 108.800 0.022 0.000 2.352 3267 G HA2 -0.132 3.817 3.960 -0.019 0.000 0.324 3267 G HA3 -0.132 3.817 3.960 -0.019 0.000 0.324 3267 G C -0.755 174.173 174.900 0.047 0.000 1.249 3267 G CA -0.444 44.665 45.100 0.016 0.000 1.053 3267 G HN 0.158 nan 8.290 nan 0.000 0.492 3268 I N 1.516 122.093 120.570 0.012 0.000 2.668 3268 I HA 0.039 4.198 4.170 -0.019 0.000 0.285 3268 I C 0.699 176.824 176.117 0.015 0.000 1.168 3268 I CA -0.200 61.094 61.300 -0.010 0.000 1.424 3268 I CB 0.624 38.496 38.000 -0.212 0.000 1.377 3268 I HN 0.460 nan 8.210 nan 0.000 0.560 3269 N N 6.646 125.380 118.700 0.056 0.000 2.549 3269 N HA -0.049 4.680 4.740 -0.019 0.000 0.267 3269 N C 0.459 175.988 175.510 0.031 0.000 1.182 3269 N CA 0.260 53.347 53.050 0.061 0.000 1.019 3269 N CB 0.014 38.539 38.487 0.064 0.000 1.380 3269 N HN 0.505 nan 8.380 nan 0.000 0.505 3270 F N 3.752 123.602 119.950 -0.165 0.000 2.163 3270 F HA -0.076 4.438 4.527 -0.022 0.000 0.297 3270 F C 0.872 176.517 175.800 -0.259 0.000 1.094 3270 F CA 1.333 59.161 58.000 -0.285 0.000 1.290 3270 F CB -0.073 38.651 39.000 -0.460 0.000 1.017 3270 F HN 0.437 nan 8.300 nan 0.000 0.483 3271 Y N 0.406 120.754 120.300 0.079 0.000 2.373 3271 Y HA 0.054 4.599 4.550 -0.009 0.000 0.293 3271 Y C 2.646 178.488 175.900 -0.098 0.000 1.129 3271 Y CA 0.855 58.943 58.100 -0.020 0.000 1.226 3271 Y CB -1.320 37.177 38.460 0.061 0.000 1.000 3271 Y HN 0.128 nan 8.280 nan 0.000 0.549 3272 G N 0.086 108.918 108.800 0.054 0.000 2.459 3272 G HA2 -0.273 3.676 3.960 -0.019 0.000 0.217 3272 G HA3 -0.273 3.676 3.960 -0.019 0.000 0.217 3272 G C 1.507 176.369 174.900 -0.063 0.000 1.183 3272 G CA 1.185 46.281 45.100 -0.007 0.000 0.776 3272 G HN 0.406 nan 8.290 nan 0.000 0.552 3273 E N -0.320 119.803 120.200 -0.128 0.000 2.058 3273 E HA -0.138 4.201 4.350 -0.019 0.000 0.194 3273 E C 2.420 178.900 176.600 -0.200 0.000 0.997 3273 E CA 0.888 57.186 56.400 -0.170 0.000 0.801 3273 E CB -0.239 29.294 29.700 -0.279 0.000 0.746 3273 E HN 0.299 nan 8.360 nan 0.000 0.450 3274 L N 0.741 121.785 121.223 -0.297 0.000 2.042 3274 L HA -0.193 4.136 4.340 -0.019 0.000 0.210 3274 L C 2.239 179.059 176.870 -0.083 0.000 1.076 3274 L CA 1.389 56.098 54.840 -0.218 0.000 0.749 3274 L CB -0.424 41.522 42.059 -0.187 0.000 0.893 3274 L HN -0.018 nan 8.230 nan 0.000 0.432 3275 V N -0.203 119.676 119.914 -0.058 0.000 2.233 3275 V HA -0.345 3.764 4.120 -0.019 0.000 0.247 3275 V C 2.307 178.402 176.094 0.002 0.000 1.050 3275 V CA 2.143 64.414 62.300 -0.048 0.000 1.010 3275 V CB -0.798 30.939 31.823 -0.143 0.000 0.637 3275 V HN 0.438 nan 8.190 nan 0.000 0.444 3276 D N -0.186 120.210 120.400 -0.007 0.000 2.123 3276 D HA -0.126 4.503 4.640 -0.019 0.000 0.196 3276 D C 2.066 178.381 176.300 0.024 0.000 0.992 3276 D CA 0.984 55.001 54.000 0.028 0.000 0.833 3276 D CB -0.276 40.534 40.800 0.016 0.000 0.954 3276 D HN 0.179 nan 8.370 nan 0.000 0.455 3277 L N 0.514 121.731 121.223 -0.010 0.000 2.093 3277 L HA -0.004 4.325 4.340 -0.019 0.000 0.208 3277 L C 2.465 179.344 176.870 0.015 0.000 1.085 3277 L CA 1.452 56.287 54.840 -0.008 0.000 0.755 3277 L CB -1.561 40.471 42.059 -0.046 0.000 0.904 3277 L HN 0.070 nan 8.230 nan 0.000 0.435 3278 G N -0.889 107.922 108.800 0.019 0.000 2.421 3278 G HA2 -0.170 3.778 3.960 -0.019 0.000 0.216 3278 G HA3 -0.170 3.778 3.960 -0.019 0.000 0.216 3278 G C 1.762 176.712 174.900 0.083 0.000 1.171 3278 G CA 0.886 46.016 45.100 0.049 0.000 0.775 3278 G HN 0.237 nan 8.290 nan 0.000 0.543 3279 V N 0.802 120.776 119.914 0.101 0.000 2.343 3279 V HA -0.151 3.958 4.120 -0.019 0.000 0.247 3279 V C 2.709 178.848 176.094 0.075 0.000 1.051 3279 V CA 2.209 64.578 62.300 0.115 0.000 1.036 3279 V CB -0.350 31.573 31.823 0.167 0.000 0.654 3279 V HN 0.396 nan 8.190 nan 0.000 0.451 3280 K N -0.161 120.275 120.400 0.060 0.000 2.097 3280 K HA -0.185 4.124 4.320 -0.019 0.000 0.206 3280 K C 1.683 178.308 176.600 0.042 0.000 1.049 3280 K CA 1.359 57.672 56.287 0.044 0.000 0.933 3280 K CB 0.003 32.525 32.500 0.036 0.000 0.717 3280 K HN 0.360 nan 8.250 nan 0.000 0.442 3281 E N 0.842 121.070 120.200 0.046 0.000 2.437 3281 E HA -0.009 4.330 4.350 -0.019 0.000 0.189 3281 E C -0.260 176.373 176.600 0.055 0.000 1.054 3281 E CA 0.120 56.548 56.400 0.046 0.000 0.874 3281 E CB 0.477 30.204 29.700 0.045 0.000 1.011 3281 E HN 0.180 nan 8.360 nan 0.000 0.474 3282 K N -0.101 120.334 120.400 0.059 0.000 3.088 3282 K HA -0.202 4.107 4.320 -0.019 0.000 0.273 3282 K C 0.924 177.574 176.600 0.083 0.000 1.111 3282 K CA 0.464 56.788 56.287 0.061 0.000 0.803 3282 K CB -2.185 30.341 32.500 0.042 0.000 1.226 3282 K HN 0.276 nan 8.250 nan 0.000 0.485 3283 L N -0.515 120.776 121.223 0.114 0.000 2.298 3283 L HA 0.209 4.538 4.340 -0.019 0.000 0.209 3283 L C 1.164 178.193 176.870 0.265 0.000 1.084 3283 L CA 0.532 55.480 54.840 0.181 0.000 0.816 3283 L CB 0.144 42.312 42.059 0.182 0.000 0.967 3283 L HN 0.116 nan 8.230 nan 0.000 0.460 3284 I N -0.217 120.476 120.570 0.206 0.000 2.404 3284 I HA 0.200 4.359 4.170 -0.019 0.000 0.293 3284 I C -0.187 176.024 176.117 0.157 0.000 0.992 3284 I CA -0.613 60.826 61.300 0.231 0.000 1.149 3284 I CB 2.155 40.282 38.000 0.212 0.000 1.315 3284 I HN -0.107 nan 8.210 nan 0.000 0.446 3285 E N 5.654 125.931 120.200 0.128 0.000 2.331 3285 E HA 0.225 4.564 4.350 -0.019 0.000 0.272 3285 E C -0.686 175.920 176.600 0.011 0.000 1.036 3285 E CA -0.182 56.251 56.400 0.055 0.000 0.864 3285 E CB 0.912 30.628 29.700 0.028 0.000 1.035 3285 E HN 0.289 nan 8.360 nan 0.000 0.408 3286 K N 2.663 123.022 120.400 -0.069 0.000 2.616 3286 K HA 0.493 4.802 4.320 -0.019 0.000 0.241 3286 K C -1.617 174.894 176.600 -0.149 0.000 0.961 3286 K CA -0.617 55.528 56.287 -0.237 0.000 0.942 3286 K CB 1.089 33.394 32.500 -0.325 0.000 1.153 3286 K HN 0.504 nan 8.250 nan 0.000 0.452 3287 A N 3.440 126.204 122.820 -0.094 0.000 2.880 3287 A HA 0.550 4.859 4.320 -0.019 0.000 0.328 3287 A C 0.869 178.451 177.584 -0.002 0.000 1.440 3287 A CA 0.386 52.410 52.037 -0.023 0.000 1.068 3287 A CB -0.218 18.792 19.000 0.016 0.000 1.163 3287 A HN 1.044 nan 8.150 nan 0.000 0.510 3288 G N 1.555 110.323 108.800 -0.053 0.000 3.274 3288 G HA2 -0.119 3.830 3.960 -0.019 0.000 0.313 3288 G HA3 -0.119 3.830 3.960 -0.019 0.000 0.313 3288 G C 1.320 176.151 174.900 -0.115 0.000 1.295 3288 G CA 0.848 45.920 45.100 -0.048 0.000 1.004 3288 G HN 1.913 nan 8.290 nan 0.000 0.614 3289 A N -0.868 121.894 122.820 -0.097 0.000 2.343 3289 A HA 0.529 4.838 4.320 -0.019 0.000 0.223 3289 A C 0.565 177.990 177.584 -0.264 0.000 1.214 3289 A CA 0.436 52.362 52.037 -0.185 0.000 0.900 3289 A CB 0.095 18.986 19.000 -0.182 0.000 0.942 3289 A HN 0.573 nan 8.150 nan 0.000 0.507 3290 W N 0.030 121.237 121.300 -0.155 0.000 2.335 3290 W HA 0.496 5.143 4.660 -0.022 0.000 0.306 3290 W C -0.829 175.571 176.519 -0.199 0.000 1.216 3290 W CA -0.083 57.203 57.345 -0.100 0.000 1.237 3290 W CB 0.326 29.746 29.460 -0.067 0.000 1.243 3290 W HN 0.238 nan 8.180 nan 0.000 0.493 3291 Y N 2.934 123.358 120.300 0.208 0.000 2.341 3291 Y HA 0.371 4.912 4.550 -0.015 0.000 0.340 3291 Y C 0.540 176.494 175.900 0.090 0.000 0.997 3291 Y CA -0.247 57.915 58.100 0.103 0.000 1.149 3291 Y CB 1.038 39.510 38.460 0.020 0.000 1.171 3291 Y HN 0.144 nan 8.280 nan 0.000 0.494 3292 S N 2.912 118.711 115.700 0.165 0.000 2.532 3292 S HA 0.437 4.896 4.470 -0.019 0.000 0.301 3292 S C -1.795 172.868 174.600 0.105 0.000 1.083 3292 S CA -0.796 57.445 58.200 0.068 0.000 1.025 3292 S CB 1.329 64.536 63.200 0.013 0.000 1.056 3292 S HN 0.501 nan 8.310 nan 0.000 0.494 3293 Y N 2.466 122.693 120.300 -0.121 0.000 2.326 3293 Y HA 0.361 4.900 4.550 -0.018 0.000 0.329 3293 Y C -0.071 175.800 175.900 -0.048 0.000 0.973 3293 Y CA -1.088 56.966 58.100 -0.077 0.000 1.162 3293 Y CB 0.502 38.898 38.460 -0.106 0.000 1.147 3293 Y HN 0.807 nan 8.280 nan 0.000 0.456 3294 K N 5.035 125.143 120.400 -0.487 0.000 3.278 3294 K HA -0.262 4.046 4.320 -0.019 0.000 0.270 3294 K C 0.983 177.458 176.600 -0.208 0.000 0.955 3294 K CA 0.980 57.016 56.287 -0.418 0.000 0.723 3294 K CB -1.625 30.510 32.500 -0.608 0.000 1.382 3294 K HN 1.326 nan 8.250 nan 0.000 0.461 3295 G N 0.220 108.938 108.800 -0.137 0.000 2.417 3295 G HA2 -0.397 3.552 3.960 -0.019 0.000 0.233 3295 G HA3 -0.397 3.552 3.960 -0.019 0.000 0.233 3295 G C 0.001 174.846 174.900 -0.092 0.000 1.103 3295 G CA 0.506 45.547 45.100 -0.099 0.000 0.647 3295 G HN 0.547 nan 8.290 nan 0.000 0.512 3296 E N 1.934 122.081 120.200 -0.088 0.000 2.290 3296 E HA 0.335 4.673 4.350 -0.019 0.000 0.277 3296 E C 0.125 176.657 176.600 -0.113 0.000 1.035 3296 E CA -0.354 55.999 56.400 -0.078 0.000 0.873 3296 E CB 0.240 29.922 29.700 -0.029 0.000 1.029 3296 E HN 0.383 nan 8.360 nan 0.000 0.419 3297 K N 4.983 125.313 120.400 -0.117 0.000 2.322 3297 K HA 0.143 4.451 4.320 -0.019 0.000 0.283 3297 K C 0.954 177.459 176.600 -0.158 0.000 1.042 3297 K CA -0.012 56.227 56.287 -0.080 0.000 0.958 3297 K CB 0.765 33.188 32.500 -0.128 0.000 0.984 3297 K HN 0.569 nan 8.250 nan 0.000 0.473 3298 I N -1.834 118.590 120.570 -0.243 0.000 4.181 3298 I HA 0.307 4.466 4.170 -0.019 0.000 0.331 3298 I C 0.549 176.511 176.117 -0.258 0.000 1.312 3298 I CA -0.321 60.537 61.300 -0.736 0.000 1.146 3298 I CB 0.956 38.149 38.000 -1.345 0.000 1.074 3298 I HN 0.599 nan 8.210 nan 0.000 0.402 3299 G N 1.177 110.021 108.800 0.073 0.000 2.361 3299 G HA2 0.199 4.148 3.960 -0.019 0.000 0.299 3299 G HA3 0.199 4.148 3.960 -0.019 0.000 0.299 3299 G C -2.137 172.715 174.900 -0.080 0.000 1.544 3299 G CA -0.704 44.426 45.100 0.050 0.000 0.860 3299 G HN 0.197 nan 8.290 nan 0.000 0.610 3300 Q N 0.190 119.736 119.800 -0.424 0.000 2.325 3300 Q HA 0.559 4.888 4.340 -0.019 0.000 0.262 3300 Q C 0.353 176.202 176.000 -0.251 0.000 0.968 3300 Q CA 0.420 55.813 55.803 -0.683 0.000 0.877 3300 Q CB 1.265 29.269 28.738 -1.223 0.000 1.253 3300 Q HN 2.420 nan 8.270 nan 0.000 0.448 3301 G N 3.015 111.799 108.800 -0.027 0.000 2.767 3301 G HA2 -0.258 3.690 3.960 -0.019 0.000 0.686 3301 G HA3 -0.258 3.690 3.960 -0.019 0.000 0.686 3301 G C 0.087 174.996 174.900 0.016 0.000 1.213 3301 G CA 0.013 45.158 45.100 0.074 0.000 0.803 3301 G HN 0.813 nan 8.290 nan 0.000 0.603 3302 K N 1.163 121.567 120.400 0.007 0.000 2.127 3302 K HA -0.112 4.197 4.320 -0.019 0.000 0.208 3302 K C 2.934 179.413 176.600 -0.202 0.000 1.047 3302 K CA 2.631 58.754 56.287 -0.274 0.000 0.927 3302 K CB -0.326 32.120 32.500 -0.089 0.000 0.716 3302 K HN 1.184 nan 8.250 nan 0.000 0.450 3303 A N 1.182 123.944 122.820 -0.097 0.000 1.873 3303 A HA -0.265 4.044 4.320 -0.019 0.000 0.218 3303 A C 1.784 179.329 177.584 -0.065 0.000 1.193 3303 A CA 2.246 54.245 52.037 -0.064 0.000 0.629 3303 A CB -0.888 18.088 19.000 -0.040 0.000 0.826 3303 A HN 0.561 nan 8.150 nan 0.000 0.447 3304 N N -0.368 118.286 118.700 -0.076 0.000 2.216 3304 N HA 0.058 4.787 4.740 -0.019 0.000 0.183 3304 N C 1.919 177.415 175.510 -0.023 0.000 1.017 3304 N CA 1.023 54.049 53.050 -0.040 0.000 0.861 3304 N CB -0.256 38.200 38.487 -0.051 0.000 0.986 3304 N HN 0.486 nan 8.380 nan 0.000 0.428 3305 A N 0.416 123.155 122.820 -0.135 0.000 1.908 3305 A HA -0.160 4.149 4.320 -0.019 0.000 0.218 3305 A C 2.217 179.775 177.584 -0.043 0.000 1.181 3305 A CA 1.812 53.756 52.037 -0.155 0.000 0.627 3305 A CB -1.066 17.596 19.000 -0.564 0.000 0.818 3305 A HN 0.234 nan 8.150 nan 0.000 0.445 3306 T N 0.354 114.858 114.554 -0.084 0.000 2.708 3306 T HA -0.046 4.293 4.350 -0.019 0.000 0.266 3306 T C 2.205 176.892 174.700 -0.022 0.000 1.037 3306 T CA 1.644 63.735 62.100 -0.015 0.000 1.146 3306 T CB -0.464 68.403 68.868 -0.003 0.000 0.865 3306 T HN 0.611 nan 8.240 nan 0.000 0.435 3307 A N 0.145 122.960 122.820 -0.007 0.000 1.972 3307 A HA -0.088 4.221 4.320 -0.019 0.000 0.219 3307 A C 2.035 179.605 177.584 -0.023 0.000 1.169 3307 A CA 1.319 53.343 52.037 -0.023 0.000 0.635 3307 A CB -1.066 17.937 19.000 0.006 0.000 0.810 3307 A HN 0.702 nan 8.150 nan 0.000 0.446 3308 W N 0.439 121.666 121.300 -0.121 0.000 2.388 3308 W HA -0.098 4.558 4.660 -0.007 0.000 0.294 3308 W C 1.715 178.135 176.519 -0.165 0.000 1.212 3308 W CA 1.734 59.017 57.345 -0.103 0.000 1.271 3308 W CB -0.164 29.266 29.460 -0.051 0.000 1.126 3308 W HN 0.252 nan 8.180 nan 0.000 0.535 3309 L N 0.427 121.624 121.223 -0.043 0.000 2.141 3309 L HA -0.177 4.152 4.340 -0.019 0.000 0.209 3309 L C 2.465 178.893 176.870 -0.737 0.000 1.094 3309 L CA 1.307 55.968 54.840 -0.298 0.000 0.763 3309 L CB -0.754 41.249 42.059 -0.094 0.000 0.908 3309 L HN -0.111 nan 8.230 nan 0.000 0.437 3310 K N 0.100 120.001 120.400 -0.831 0.000 2.063 3310 K HA -0.216 4.093 4.320 -0.019 0.000 0.208 3310 K C 1.619 177.945 176.600 -0.457 0.000 1.048 3310 K CA 1.894 57.726 56.287 -0.757 0.000 0.928 3310 K CB -0.155 32.101 32.500 -0.407 0.000 0.713 3310 K HN 0.227 nan 8.250 nan 0.000 0.442 3311 D N 0.317 120.462 120.400 -0.425 0.000 2.178 3311 D HA -0.067 4.562 4.640 -0.019 0.000 0.202 3311 D C -0.181 175.840 176.300 -0.465 0.000 0.974 3311 D CA 0.966 54.732 54.000 -0.391 0.000 0.841 3311 D CB 0.004 40.573 40.800 -0.385 0.000 0.953 3311 D HN 0.139 nan 8.370 nan 0.000 0.478 3312 N N 0.033 118.346 118.700 -0.646 0.000 2.976 3312 N HA 0.203 4.932 4.740 -0.019 0.000 0.255 3312 N C -2.180 173.116 175.510 -0.357 0.000 1.312 3312 N CA -1.091 51.611 53.050 -0.580 0.000 0.897 3312 N CB 1.700 39.590 38.487 -0.995 0.000 1.184 3312 N HN -0.028 nan 8.380 nan 0.000 0.497 3313 P HA -0.110 nan 4.420 nan 0.000 0.221 3313 P C 0.883 178.159 177.300 -0.040 0.000 1.150 3313 P CA 1.014 64.057 63.100 -0.095 0.000 0.800 3313 P CB 0.452 32.116 31.700 -0.060 0.000 0.787 3314 E N -0.573 119.589 120.200 -0.064 0.000 2.072 3314 E HA -0.092 4.247 4.350 -0.019 0.000 0.191 3314 E C 1.727 178.330 176.600 0.006 0.000 0.985 3314 E CA 1.472 57.861 56.400 -0.019 0.000 0.801 3314 E CB -1.771 27.917 29.700 -0.021 0.000 0.750 3314 E HN 0.258 nan 8.360 nan 0.000 0.452 3315 T N 1.685 116.227 114.554 -0.021 0.000 2.857 3315 T HA 0.024 4.362 4.350 -0.019 0.000 0.266 3315 T C 2.073 176.776 174.700 0.005 0.000 1.048 3315 T CA 1.290 63.407 62.100 0.028 0.000 1.139 3315 T CB -0.224 68.677 68.868 0.055 0.000 0.874 3315 T HN 0.310 nan 8.240 nan 0.000 0.455 3316 A N 2.300 125.122 122.820 0.003 0.000 1.877 3316 A HA -0.142 4.167 4.320 -0.019 0.000 0.216 3316 A C 2.314 179.971 177.584 0.122 0.000 1.186 3316 A CA 1.255 53.351 52.037 0.098 0.000 0.620 3316 A CB -0.355 18.782 19.000 0.227 0.000 0.822 3316 A HN 0.203 nan 8.150 nan 0.000 0.443 3317 K N -0.177 120.284 120.400 0.101 0.000 2.063 3317 K HA -0.196 4.113 4.320 -0.019 0.000 0.208 3317 K C 1.935 178.580 176.600 0.075 0.000 1.048 3317 K CA 1.654 57.993 56.287 0.088 0.000 0.928 3317 K CB -0.481 32.053 32.500 0.056 0.000 0.713 3317 K HN 0.793 nan 8.250 nan 0.000 0.442 3318 E N 0.675 120.917 120.200 0.070 0.000 2.051 3318 E HA -0.146 4.193 4.350 -0.019 0.000 0.192 3318 E C 2.126 178.776 176.600 0.082 0.000 0.991 3318 E CA 0.969 57.419 56.400 0.084 0.000 0.799 3318 E CB -0.028 29.742 29.700 0.116 0.000 0.748 3318 E HN 0.229 nan 8.360 nan 0.000 0.449 3319 I N 0.976 121.574 120.570 0.047 0.000 2.226 3319 I HA -0.237 3.922 4.170 -0.019 0.000 0.245 3319 I C 2.719 178.861 176.117 0.042 0.000 1.100 3319 I CA 1.180 62.495 61.300 0.025 0.000 1.374 3319 I CB -0.417 37.535 38.000 -0.080 0.000 1.057 3319 I HN 0.249 nan 8.210 nan 0.000 0.413 3320 E N 1.672 121.905 120.200 0.056 0.000 2.058 3320 E HA -0.312 4.027 4.350 -0.019 0.000 0.194 3320 E C 2.246 178.881 176.600 0.058 0.000 0.997 3320 E CA 1.570 58.007 56.400 0.062 0.000 0.801 3320 E CB -0.016 29.762 29.700 0.131 0.000 0.746 3320 E HN 0.325 nan 8.360 nan 0.000 0.450 3321 K N 0.624 121.062 120.400 0.063 0.000 2.063 3321 K HA -0.217 4.092 4.320 -0.019 0.000 0.208 3321 K C 2.123 178.754 176.600 0.050 0.000 1.048 3321 K CA 1.728 58.047 56.287 0.054 0.000 0.928 3321 K CB 0.034 32.567 32.500 0.054 0.000 0.713 3321 K HN -0.039 nan 8.250 nan 0.000 0.442 3322 K N -0.056 120.379 120.400 0.058 0.000 2.057 3322 K HA -0.068 4.241 4.320 -0.019 0.000 0.206 3322 K C 1.967 178.596 176.600 0.048 0.000 1.050 3322 K CA 1.092 57.414 56.287 0.059 0.000 0.935 3322 K CB 0.067 32.614 32.500 0.079 0.000 0.715 3322 K HN -0.039 nan 8.250 nan 0.000 0.439 3323 V N 1.335 121.274 119.914 0.041 0.000 2.287 3323 V HA -0.282 3.826 4.120 -0.019 0.000 0.248 3323 V C 2.185 178.293 176.094 0.024 0.000 1.053 3323 V CA 1.764 64.080 62.300 0.026 0.000 1.027 3323 V CB -0.434 31.392 31.823 0.005 0.000 0.646 3323 V HN 0.281 nan 8.190 nan 0.000 0.447 3324 R N -0.256 120.260 120.500 0.026 0.000 2.073 3324 R HA -0.188 4.141 4.340 -0.019 0.000 0.234 3324 R C 2.350 178.666 176.300 0.027 0.000 1.134 3324 R CA 1.832 57.948 56.100 0.026 0.000 0.952 3324 R CB -0.351 29.968 30.300 0.031 0.000 0.850 3324 R HN 0.605 nan 8.270 nan 0.000 0.433 3325 E N 0.599 120.818 120.200 0.031 0.000 2.085 3325 E HA -0.203 4.136 4.350 -0.019 0.000 0.194 3325 E C 2.024 178.642 176.600 0.030 0.000 0.994 3325 E CA 1.162 57.580 56.400 0.031 0.000 0.801 3325 E CB -0.096 29.624 29.700 0.034 0.000 0.743 3325 E HN 0.279 nan 8.360 nan 0.000 0.453 3326 L N 0.012 121.254 121.223 0.032 0.000 2.093 3326 L HA -0.145 4.184 4.340 -0.019 0.000 0.208 3326 L C 2.042 178.929 176.870 0.029 0.000 1.085 3326 L CA 0.897 55.756 54.840 0.031 0.000 0.755 3326 L CB 0.018 42.097 42.059 0.034 0.000 0.904 3326 L HN 0.169 nan 8.230 nan 0.000 0.435 3327 L N -1.435 119.804 121.223 0.026 0.000 2.781 3327 L HA 0.194 4.523 4.340 -0.019 0.000 0.245 3327 L C 0.350 177.234 176.870 0.024 0.000 1.118 3327 L CA -0.291 54.564 54.840 0.025 0.000 0.918 3327 L CB 0.539 42.611 42.059 0.021 0.000 1.246 3327 L HN 0.055 nan 8.230 nan 0.000 0.526 3328 L N 0.937 122.174 121.223 0.022 0.000 2.361 3328 L HA 0.076 4.405 4.340 -0.019 0.000 0.278 3328 L C 1.476 178.360 176.870 0.024 0.000 1.113 3328 L CA -0.081 54.771 54.840 0.020 0.000 0.849 3328 L CB 1.394 43.464 42.059 0.018 0.000 1.155 3328 L HN 0.174 nan 8.230 nan 0.000 0.452 3329 S N 1.195 116.910 115.700 0.025 0.000 2.527 3329 S HA -0.002 4.457 4.470 -0.019 0.000 0.222 3329 S C 0.630 175.249 174.600 0.031 0.000 0.985 3329 S CA 0.055 58.274 58.200 0.032 0.000 0.921 3329 S CB -0.171 63.051 63.200 0.037 0.000 0.772 3329 S HN 0.782 nan 8.310 nan 0.000 0.529 3330 N N 1.891 120.604 118.700 0.022 0.000 2.697 3330 N HA 0.387 5.116 4.740 -0.019 0.000 0.253 3330 N C -3.261 172.258 175.510 0.015 0.000 1.604 3330 N CA -0.957 52.106 53.050 0.020 0.000 0.772 3330 N CB 1.629 40.123 38.487 0.012 0.000 1.267 3330 N HN 0.228 nan 8.380 nan 0.000 0.510 3331 P HA 0.179 nan 4.420 nan 0.000 0.274 3331 P C -0.078 177.230 177.300 0.012 0.000 1.231 3331 P CA -0.349 62.760 63.100 0.015 0.000 0.790 3331 P CB 0.900 32.611 31.700 0.018 0.000 0.951 3332 N N -0.241 118.465 118.700 0.010 0.000 2.318 3332 N HA 0.222 4.951 4.740 -0.019 0.000 0.283 3332 N C 0.335 175.850 175.510 0.008 0.000 1.306 3332 N CA 0.100 53.155 53.050 0.007 0.000 0.941 3332 N CB -0.085 38.405 38.487 0.005 0.000 1.059 3332 N HN 0.366 nan 8.380 nan 0.000 0.496 4002 I N 1.405 121.974 120.570 -0.001 0.000 2.494 4002 I HA 0.008 4.167 4.170 -0.019 0.000 0.250 4002 I C 1.823 177.939 176.117 -0.002 0.000 1.112 4002 I CA 1.519 62.818 61.300 -0.001 0.000 1.438 4002 I CB -0.188 37.811 38.000 -0.001 0.000 1.111 4002 I HN 0.427 nan 8.210 nan 0.000 0.431 4003 D N 0.625 121.023 120.400 -0.003 0.000 2.348 4003 D HA -0.104 4.525 4.640 -0.019 0.000 0.211 4003 D C 1.617 177.915 176.300 -0.003 0.000 0.998 4003 D CA 0.587 54.585 54.000 -0.004 0.000 0.873 4003 D CB -0.276 40.521 40.800 -0.005 0.000 0.925 4003 D HN 0.334 nan 8.370 nan 0.000 0.524 4004 E N 0.067 120.265 120.200 -0.002 0.000 2.216 4004 E HA -0.009 4.330 4.350 -0.019 0.000 0.192 4004 E C 1.638 178.237 176.600 -0.001 0.000 0.988 4004 E CA 0.380 56.779 56.400 -0.002 0.000 0.834 4004 E CB 0.008 29.707 29.700 -0.002 0.000 0.772 4004 E HN 0.164 nan 8.360 nan 0.000 0.479 4005 N N 0.882 119.582 118.700 -0.000 0.000 2.244 4005 N HA -0.119 4.610 4.740 -0.019 0.000 0.183 4005 N C 1.384 176.895 175.510 0.000 0.000 1.016 4005 N CA 0.929 53.979 53.050 0.001 0.000 0.866 4005 N CB 0.062 38.550 38.487 0.001 0.000 0.980 4005 N HN 0.148 nan 8.380 nan 0.000 0.430 4006 K N 0.969 121.369 120.400 -0.000 0.000 2.026 4006 K HA -0.086 4.223 4.320 -0.019 0.000 0.208 4006 K C 2.052 178.652 176.600 -0.001 0.000 1.048 4006 K CA 1.031 57.317 56.287 -0.001 0.000 0.929 4006 K CB -0.060 32.439 32.500 -0.002 0.000 0.713 4006 K HN 0.289 nan 8.250 nan 0.000 0.439 4007 Q N 0.699 120.498 119.800 -0.001 0.000 2.119 4007 Q HA -0.162 4.167 4.340 -0.019 0.000 0.201 4007 Q C 2.113 178.113 176.000 0.001 0.000 0.972 4007 Q CA 1.175 56.978 55.803 -0.001 0.000 0.847 4007 Q CB -0.048 28.689 28.738 -0.001 0.000 0.903 4007 Q HN 0.231 nan 8.270 nan 0.000 0.433 4008 K N 0.731 121.131 120.400 0.001 0.000 2.044 4008 K HA -0.192 4.117 4.320 -0.019 0.000 0.210 4008 K C 1.909 178.510 176.600 0.002 0.000 1.049 4008 K CA 1.463 57.751 56.287 0.001 0.000 0.927 4008 K CB -0.126 32.375 32.500 0.001 0.000 0.713 4008 K HN 0.165 nan 8.250 nan 0.000 0.443 4009 A N 0.776 123.598 122.820 0.002 0.000 2.016 4009 A HA -0.020 4.289 4.320 -0.019 0.000 0.217 4009 A C 1.956 179.543 177.584 0.004 0.000 1.162 4009 A CA 0.705 52.745 52.037 0.004 0.000 0.662 4009 A CB -0.361 18.641 19.000 0.003 0.000 0.812 4009 A HN 0.393 nan 8.150 nan 0.000 0.450 4010 L N -0.070 121.155 121.223 0.003 0.000 1.988 4010 L HA -0.024 4.305 4.340 -0.019 0.000 0.207 4010 L C 2.671 179.545 176.870 0.007 0.000 1.071 4010 L CA 2.246 57.089 54.840 0.004 0.000 0.744 4010 L CB -0.673 41.387 42.059 0.002 0.000 0.893 4010 L HN 0.291 nan 8.230 nan 0.000 0.433 4011 A N -0.271 122.553 122.820 0.006 0.000 1.940 4011 A HA -0.194 4.115 4.320 -0.019 0.000 0.219 4011 A C 2.448 180.036 177.584 0.008 0.000 1.176 4011 A CA 2.027 54.069 52.037 0.007 0.000 0.631 4011 A CB -1.318 17.685 19.000 0.005 0.000 0.814 4011 A HN 0.654 nan 8.150 nan 0.000 0.446 4012 A N -0.283 122.540 122.820 0.006 0.000 1.908 4012 A HA 0.114 4.423 4.320 -0.019 0.000 0.218 4012 A C 2.493 180.083 177.584 0.010 0.000 1.181 4012 A CA 2.269 54.310 52.037 0.006 0.000 0.627 4012 A CB -0.941 18.062 19.000 0.005 0.000 0.818 4012 A HN 1.075 nan 8.150 nan 0.000 0.445 4013 A N -0.931 121.897 122.820 0.013 0.000 1.897 4013 A HA 0.119 4.428 4.320 -0.019 0.000 0.215 4013 A C 2.028 179.629 177.584 0.029 0.000 1.181 4013 A CA 1.435 53.484 52.037 0.020 0.000 0.620 4013 A CB -0.524 18.487 19.000 0.019 0.000 0.821 4013 A HN 0.382 nan 8.150 nan 0.000 0.443 4014 L N 0.076 121.314 121.223 0.025 0.000 2.046 4014 L HA -0.090 4.239 4.340 -0.019 0.000 0.208 4014 L C 2.725 179.614 176.870 0.031 0.000 1.077 4014 L CA 1.879 56.737 54.840 0.031 0.000 0.747 4014 L CB -0.909 41.164 42.059 0.022 0.000 0.896 4014 L HN 0.415 nan 8.230 nan 0.000 0.432 4015 G N -1.369 107.443 108.800 0.019 0.000 2.421 4015 G HA2 -0.351 3.598 3.960 -0.019 0.000 0.216 4015 G HA3 -0.351 3.598 3.960 -0.019 0.000 0.216 4015 G C 1.496 176.400 174.900 0.008 0.000 1.171 4015 G CA 0.886 45.994 45.100 0.012 0.000 0.775 4015 G HN 0.432 nan 8.290 nan 0.000 0.543 4016 Q N 0.630 120.434 119.800 0.008 0.000 2.096 4016 Q HA -0.069 4.260 4.340 -0.019 0.000 0.204 4016 Q C 2.301 178.300 176.000 -0.003 0.000 0.982 4016 Q CA 1.576 57.376 55.803 -0.005 0.000 0.850 4016 Q CB -0.485 28.255 28.738 0.003 0.000 0.901 4016 Q HN 0.539 nan 8.270 nan 0.000 0.422 4017 I N 0.358 120.960 120.570 0.054 0.000 2.202 4017 I HA -0.227 3.932 4.170 -0.019 0.000 0.242 4017 I C 2.326 178.523 176.117 0.132 0.000 1.091 4017 I CA 1.593 62.981 61.300 0.147 0.000 1.368 4017 I CB -0.350 37.754 38.000 0.173 0.000 1.058 4017 I HN 0.328 nan 8.210 nan 0.000 0.410 4018 E N 0.639 120.886 120.200 0.079 0.000 2.106 4018 E HA -0.237 4.102 4.350 -0.019 0.000 0.192 4018 E C 2.086 178.696 176.600 0.017 0.000 0.984 4018 E CA 0.860 57.299 56.400 0.065 0.000 0.806 4018 E CB -0.067 29.661 29.700 0.046 0.000 0.750 4018 E HN 0.378 nan 8.360 nan 0.000 0.458 4019 K N 0.673 121.061 120.400 -0.020 0.000 2.217 4019 K HA -0.116 4.193 4.320 -0.019 0.000 0.202 4019 K C 2.079 178.604 176.600 -0.125 0.000 1.051 4019 K CA 0.806 57.060 56.287 -0.054 0.000 0.952 4019 K CB 0.202 32.672 32.500 -0.050 0.000 0.736 4019 K HN 0.095 nan 8.250 nan 0.000 0.453 4020 Q N -1.147 118.519 119.800 -0.223 0.000 2.165 4020 Q HA -0.015 4.314 4.340 -0.019 0.000 0.197 4020 Q C 0.459 176.084 176.000 -0.625 0.000 0.952 4020 Q CA 0.906 56.392 55.803 -0.527 0.000 0.848 4020 Q CB 0.400 28.616 28.738 -0.869 0.000 0.931 4020 Q HN 0.221 nan 8.270 nan 0.000 0.470 4021 F N -0.368 119.586 119.950 0.007 0.000 2.735 4021 F HA 0.380 4.896 4.527 -0.018 0.000 0.304 4021 F C 0.742 176.549 175.800 0.012 0.000 1.119 4021 F CA 0.216 58.221 58.000 0.009 0.000 1.280 4021 F CB 0.999 40.005 39.000 0.010 0.000 0.994 4021 F HN 0.033 nan 8.300 nan 0.000 0.520 4022 G N 0.431 109.294 108.800 0.106 0.000 2.710 4022 G HA2 -0.202 3.747 3.960 -0.019 0.000 0.668 4022 G HA3 -0.202 3.747 3.960 -0.019 0.000 0.668 4022 G C 0.774 175.716 174.900 0.069 0.000 1.320 4022 G CA -0.597 44.548 45.100 0.075 0.000 0.860 4022 G HN -0.011 nan 8.290 nan 0.000 0.538 4023 K N 0.106 120.536 120.400 0.050 0.000 1.976 4023 K HA -0.180 4.129 4.320 -0.019 0.000 0.233 4023 K C 1.963 178.591 176.600 0.046 0.000 1.012 4023 K CA 2.158 58.469 56.287 0.041 0.000 1.049 4023 K CB -0.947 31.574 32.500 0.034 0.000 0.722 4023 K HN 1.496 nan 8.250 nan 0.000 0.465 4024 G N 0.996 109.825 108.800 0.049 0.000 4.637 4024 G HA2 0.205 4.154 3.960 -0.019 0.000 0.308 4024 G HA3 0.205 4.154 3.960 -0.019 0.000 0.308 4024 G C 0.860 175.793 174.900 0.054 0.000 1.377 4024 G CA 0.064 45.192 45.100 0.046 0.000 1.176 4024 G HN 0.319 nan 8.290 nan 0.000 0.601 4025 S N -0.064 115.680 115.700 0.073 0.000 2.423 4025 S HA 0.127 4.586 4.470 -0.019 0.000 0.231 4025 S C 0.796 175.425 174.600 0.048 0.000 1.014 4025 S CA 0.300 58.545 58.200 0.076 0.000 0.965 4025 S CB 0.345 63.630 63.200 0.143 0.000 0.785 4025 S HN 0.445 nan 8.310 nan 0.000 0.495 4026 I N 1.312 121.913 120.570 0.051 0.000 2.607 4026 I HA 0.595 4.754 4.170 -0.019 0.000 0.290 4026 I C -1.261 174.875 176.117 0.031 0.000 1.129 4026 I CA -1.289 60.032 61.300 0.035 0.000 1.042 4026 I CB 1.897 39.918 38.000 0.035 0.000 1.242 4026 I HN 0.374 nan 8.210 nan 0.000 0.421 4027 M N 4.382 123.996 119.600 0.025 0.000 2.880 4027 M HA 0.589 5.058 4.480 -0.019 0.000 0.269 4027 M C -1.265 175.044 176.300 0.015 0.000 1.248 4027 M CA -1.087 54.224 55.300 0.020 0.000 0.821 4027 M CB 1.456 34.067 32.600 0.019 0.000 1.650 4027 M HN 0.294 nan 8.290 nan 0.000 0.479 4028 R N 1.139 121.644 120.500 0.009 0.000 2.442 4028 R HA 0.305 4.634 4.340 -0.019 0.000 0.291 4028 R C 0.958 177.257 176.300 -0.002 0.000 1.069 4028 R CA -0.173 55.929 56.100 0.003 0.000 1.022 4028 R CB 0.377 30.676 30.300 -0.001 0.000 0.976 4028 R HN 0.705 nan 8.270 nan 0.000 0.443 4029 L N 2.296 123.513 121.223 -0.010 0.000 2.043 4029 L HA -0.187 4.141 4.340 -0.019 0.000 0.212 4029 L C 1.776 178.634 176.870 -0.020 0.000 1.075 4029 L CA 2.201 57.028 54.840 -0.022 0.000 0.752 4029 L CB -0.481 41.550 42.059 -0.048 0.000 0.891 4029 L HN 0.990 nan 8.230 nan 0.000 0.432 4030 G N -0.357 108.431 108.800 -0.020 0.000 2.470 4030 G HA2 -0.253 3.696 3.960 -0.019 0.000 0.220 4030 G HA3 -0.253 3.696 3.960 -0.019 0.000 0.220 4030 G C 1.182 176.076 174.900 -0.010 0.000 1.121 4030 G CA 0.834 45.923 45.100 -0.017 0.000 0.766 4030 G HN 0.724 nan 8.290 nan 0.000 0.553 4031 E N -0.300 119.896 120.200 -0.006 0.000 2.498 4031 E HA 0.087 4.426 4.350 -0.019 0.000 0.203 4031 E C -0.316 176.286 176.600 0.003 0.000 1.013 4031 E CA -0.445 55.954 56.400 -0.001 0.000 0.927 4031 E CB 0.240 29.940 29.700 0.000 0.000 1.012 4031 E HN 0.130 nan 8.360 nan 0.000 0.482 4032 D N 1.809 122.211 120.400 0.003 0.000 2.344 4032 D HA 0.043 4.672 4.640 -0.019 0.000 0.253 4032 D C 0.721 177.026 176.300 0.008 0.000 1.255 4032 D CA -0.136 53.869 54.000 0.008 0.000 0.894 4032 D CB 0.794 41.600 40.800 0.009 0.000 1.067 4032 D HN -0.058 nan 8.370 nan 0.000 0.492 4033 R N 1.683 122.189 120.500 0.011 0.000 2.090 4033 R HA -0.076 4.252 4.340 -0.019 0.000 0.228 4033 R C 1.908 178.217 176.300 0.015 0.000 1.110 4033 R CA 0.740 56.847 56.100 0.011 0.000 0.973 4033 R CB -0.891 29.415 30.300 0.010 0.000 0.869 4033 R HN 0.486 nan 8.270 nan 0.000 0.440 4034 S N -0.392 115.321 115.700 0.021 0.000 2.595 4034 S HA -0.064 4.395 4.470 -0.019 0.000 0.235 4034 S C 1.645 176.264 174.600 0.033 0.000 0.974 4034 S CA 0.613 58.830 58.200 0.029 0.000 0.942 4034 S CB -0.039 63.184 63.200 0.038 0.000 0.766 4034 S HN 0.087 nan 8.310 nan 0.000 0.536 4035 M N 1.648 121.262 119.600 0.023 0.000 2.465 4035 M HA 0.295 4.764 4.480 -0.019 0.000 0.249 4035 M C -0.667 175.642 176.300 0.014 0.000 1.130 4035 M CA 0.111 55.423 55.300 0.020 0.000 1.067 4035 M CB 0.199 32.803 32.600 0.006 0.000 1.394 4035 M HN 0.028 nan 8.290 nan 0.000 0.483 4036 D N 0.820 121.227 120.400 0.012 0.000 2.424 4036 D HA 0.081 4.710 4.640 -0.019 0.000 0.244 4036 D C -0.442 175.864 176.300 0.010 0.000 1.134 4036 D CA 0.173 54.178 54.000 0.008 0.000 0.881 4036 D CB 1.099 41.903 40.800 0.007 0.000 1.191 4036 D HN -0.109 nan 8.370 nan 0.000 0.445 4037 V N 2.896 122.814 119.914 0.007 0.000 2.455 4037 V HA 0.086 4.195 4.120 -0.019 0.000 0.273 4037 V C 0.605 176.700 176.094 0.001 0.000 1.045 4037 V CA -0.034 62.269 62.300 0.004 0.000 0.976 4037 V CB 0.905 32.727 31.823 -0.002 0.000 0.993 4037 V HN 0.436 nan 8.190 nan 0.000 0.475 4038 E N 3.726 123.926 120.200 0.001 0.000 2.199 4038 E HA 0.589 4.928 4.350 -0.019 0.000 0.269 4038 E C -0.590 176.006 176.600 -0.006 0.000 0.899 4038 E CA -0.491 55.908 56.400 -0.002 0.000 0.772 4038 E CB 2.165 31.864 29.700 -0.001 0.000 1.155 4038 E HN 0.793 nan 8.360 nan 0.000 0.408 4039 T N 1.134 115.683 114.554 -0.009 0.000 2.942 4039 T HA 0.623 4.962 4.350 -0.019 0.000 0.289 4039 T C -0.215 174.475 174.700 -0.017 0.000 1.044 4039 T CA -0.855 61.237 62.100 -0.014 0.000 1.023 4039 T CB 1.102 69.961 68.868 -0.015 0.000 1.123 4039 T HN 0.280 nan 8.240 nan 0.000 0.512 4040 I N 1.735 122.293 120.570 -0.021 0.000 2.509 4040 I HA 0.414 4.573 4.170 -0.019 0.000 0.293 4040 I C 0.723 176.822 176.117 -0.029 0.000 1.020 4040 I CA -0.720 60.564 61.300 -0.026 0.000 1.088 4040 I CB 1.801 39.785 38.000 -0.027 0.000 1.267 4040 I HN 0.961 nan 8.210 nan 0.000 0.430 4041 S N 2.857 118.536 115.700 -0.035 0.000 2.568 4041 S HA 0.058 4.517 4.470 -0.019 0.000 0.282 4041 S C 1.350 175.921 174.600 -0.048 0.000 1.338 4041 S CA 0.386 58.562 58.200 -0.040 0.000 1.045 4041 S CB 0.425 63.595 63.200 -0.050 0.000 0.873 4041 S HN 0.795 nan 8.310 nan 0.000 0.516 4042 T N 1.440 115.964 114.554 -0.051 0.000 3.081 4042 T HA 0.355 4.694 4.350 -0.019 0.000 0.255 4042 T C 1.528 176.172 174.700 -0.094 0.000 1.113 4042 T CA 0.651 62.714 62.100 -0.062 0.000 1.082 4042 T CB -0.328 68.505 68.868 -0.059 0.000 0.939 4042 T HN 1.616 nan 8.240 nan 0.000 0.506 4043 G N 0.826 109.567 108.800 -0.098 0.000 2.234 4043 G HA2 -0.240 3.709 3.960 -0.019 0.000 0.235 4043 G HA3 -0.240 3.709 3.960 -0.019 0.000 0.235 4043 G C 0.244 175.070 174.900 -0.125 0.000 0.997 4043 G CA 0.183 45.208 45.100 -0.125 0.000 0.623 4043 G HN 1.051 nan 8.290 nan 0.000 0.514 4044 S N 0.047 115.627 115.700 -0.199 0.000 2.437 4044 S HA 0.629 5.088 4.470 -0.019 0.000 0.305 4044 S C 1.234 175.771 174.600 -0.105 0.000 1.109 4044 S CA 0.108 58.136 58.200 -0.287 0.000 1.099 4044 S CB 1.523 64.299 63.200 -0.706 0.000 1.004 4044 S HN 1.040 nan 8.310 nan 0.000 0.475 4045 L N 5.847 127.029 121.223 -0.068 0.000 2.027 4045 L HA 0.026 4.355 4.340 -0.019 0.000 0.206 4045 L C 2.561 179.399 176.870 -0.053 0.000 1.074 4045 L CA 2.689 57.499 54.840 -0.051 0.000 0.745 4045 L CB -0.999 40.938 42.059 -0.205 0.000 0.898 4045 L HN 0.897 nan 8.230 nan 0.000 0.433 4046 S N -1.048 114.620 115.700 -0.054 0.000 2.423 4046 S HA -0.193 4.266 4.470 -0.019 0.000 0.231 4046 S C 2.099 176.723 174.600 0.041 0.000 1.014 4046 S CA 1.339 59.545 58.200 0.010 0.000 0.965 4046 S CB -0.967 62.268 63.200 0.057 0.000 0.785 4046 S HN 0.514 nan 8.310 nan 0.000 0.495 4047 L N 1.398 122.643 121.223 0.037 0.000 2.027 4047 L HA -0.097 4.232 4.340 -0.019 0.000 0.206 4047 L C 1.978 178.852 176.870 0.007 0.000 1.074 4047 L CA 1.932 56.799 54.840 0.044 0.000 0.745 4047 L CB -0.628 41.452 42.059 0.034 0.000 0.898 4047 L HN 0.238 nan 8.230 nan 0.000 0.433 4048 D N 0.134 120.527 120.400 -0.010 0.000 2.182 4048 D HA -0.205 4.424 4.640 -0.019 0.000 0.201 4048 D C 2.131 178.428 176.300 -0.004 0.000 0.986 4048 D CA 1.373 55.367 54.000 -0.009 0.000 0.847 4048 D CB -0.062 40.735 40.800 -0.005 0.000 0.942 4048 D HN 0.399 nan 8.370 nan 0.000 0.467 4049 I N 0.932 121.503 120.570 0.001 0.000 2.233 4049 I HA -0.191 3.968 4.170 -0.019 0.000 0.243 4049 I C 2.512 178.633 176.117 0.007 0.000 1.093 4049 I CA 0.913 62.217 61.300 0.005 0.000 1.380 4049 I CB -0.241 37.763 38.000 0.007 0.000 1.067 4049 I HN -0.096 nan 8.210 nan 0.000 0.413 4050 A N 0.838 123.665 122.820 0.012 0.000 1.948 4050 A HA -0.187 4.122 4.320 -0.019 0.000 0.220 4050 A C 2.264 179.840 177.584 -0.014 0.000 1.177 4050 A CA 1.542 53.585 52.037 0.010 0.000 0.636 4050 A CB -0.990 18.024 19.000 0.024 0.000 0.815 4050 A HN 0.422 nan 8.150 nan 0.000 0.449 4051 L N -1.549 119.662 121.223 -0.020 0.000 2.456 4051 L HA 0.016 4.345 4.340 -0.019 0.000 0.224 4051 L C 2.156 178.998 176.870 -0.046 0.000 1.148 4051 L CA 0.669 55.484 54.840 -0.041 0.000 0.825 4051 L CB -0.356 41.682 42.059 -0.035 0.000 0.937 4051 L HN 0.667 nan 8.230 nan 0.000 0.450 4052 G N -0.270 108.514 108.800 -0.027 0.000 2.990 4052 G HA2 -0.436 3.513 3.960 -0.019 0.000 0.225 4052 G HA3 -0.436 3.513 3.960 -0.019 0.000 0.225 4052 G C 1.025 175.915 174.900 -0.016 0.000 1.304 4052 G CA 0.438 45.525 45.100 -0.022 0.000 0.816 4052 G HN 0.461 nan 8.290 nan 0.000 0.528 4053 A N 0.653 123.458 122.820 -0.025 0.000 2.275 4053 A HA 0.582 4.891 4.320 -0.019 0.000 0.212 4053 A C 2.429 180.006 177.584 -0.012 0.000 1.201 4053 A CA 1.760 53.787 52.037 -0.018 0.000 0.843 4053 A CB -0.536 18.449 19.000 -0.025 0.000 0.873 4053 A HN 2.634 nan 8.150 nan 0.000 0.492 4054 G N -2.624 106.169 108.800 -0.012 0.000 2.141 4054 G HA2 0.284 4.233 3.960 -0.019 0.000 0.242 4054 G HA3 0.284 4.233 3.960 -0.019 0.000 0.242 4054 G C 0.862 175.755 174.900 -0.012 0.000 0.982 4054 G CA 0.326 45.421 45.100 -0.007 0.000 0.662 4054 G HN 2.200 nan 8.290 nan 0.000 0.527 4055 G N -1.591 107.198 108.800 -0.018 0.000 2.341 4055 G HA2 0.505 4.454 3.960 -0.019 0.000 0.293 4055 G HA3 0.505 4.454 3.960 -0.019 0.000 0.293 4055 G C -0.650 174.235 174.900 -0.025 0.000 1.298 4055 G CA -0.494 44.593 45.100 -0.022 0.000 0.868 4055 G HN 0.890 nan 8.290 nan 0.000 0.540 4056 L N 1.752 122.960 121.223 -0.024 0.000 2.397 4056 L HA 0.418 4.746 4.340 -0.019 0.000 0.271 4056 L C -1.775 175.084 176.870 -0.019 0.000 1.148 4056 L CA -1.577 53.250 54.840 -0.022 0.000 0.825 4056 L CB 1.230 43.277 42.059 -0.020 0.000 1.117 4056 L HN 0.316 nan 8.230 nan 0.000 0.456 4057 P HA 0.200 nan 4.420 nan 0.000 0.290 4057 P C -0.808 176.490 177.300 -0.003 0.000 1.276 4057 P CA -0.597 62.498 63.100 -0.010 0.000 0.808 4057 P CB 0.997 32.691 31.700 -0.010 0.000 0.966 4058 M N 1.789 121.387 119.600 -0.002 0.000 2.238 4058 M HA 0.246 4.715 4.480 -0.019 0.000 0.347 4058 M C 1.572 177.877 176.300 0.009 0.000 1.173 4058 M CA 0.729 56.029 55.300 -0.001 0.000 1.147 4058 M CB -0.552 32.046 32.600 -0.003 0.000 1.547 4058 M HN 0.843 nan 8.290 nan 0.000 0.455 4059 G N 2.357 111.161 108.800 0.008 0.000 2.162 4059 G HA2 -0.204 3.745 3.960 -0.019 0.000 0.260 4059 G HA3 -0.204 3.745 3.960 -0.019 0.000 0.260 4059 G C 0.195 175.116 174.900 0.035 0.000 0.976 4059 G CA -0.048 45.063 45.100 0.018 0.000 0.655 4059 G HN 0.544 nan 8.290 nan 0.000 0.533 4060 R N -0.656 119.864 120.500 0.034 0.000 2.902 4060 R HA 0.778 5.107 4.340 -0.019 0.000 0.258 4060 R C 0.265 176.603 176.300 0.063 0.000 1.071 4060 R CA -1.168 54.966 56.100 0.057 0.000 1.024 4060 R CB 0.787 31.114 30.300 0.046 0.000 1.184 4060 R HN 0.226 nan 8.270 nan 0.000 0.492 4061 I N 0.662 121.297 120.570 0.109 0.000 2.392 4061 I HA 0.363 4.521 4.170 -0.019 0.000 0.295 4061 I C -0.244 175.953 176.117 0.134 0.000 0.985 4061 I CA -0.841 60.549 61.300 0.149 0.000 1.221 4061 I CB 1.766 39.913 38.000 0.244 0.000 1.366 4061 I HN -0.036 nan 8.210 nan 0.000 0.467 4062 V N 5.232 125.225 119.914 0.132 0.000 2.789 4062 V HA 0.388 4.497 4.120 -0.019 0.000 0.311 4062 V C -0.509 175.681 176.094 0.160 0.000 1.073 4062 V CA -0.649 61.712 62.300 0.102 0.000 0.921 4062 V CB 2.140 33.988 31.823 0.041 0.000 1.009 4062 V HN 0.741 nan 8.190 nan 0.000 0.426 4063 E N 3.718 124.002 120.200 0.140 0.000 2.210 4063 E HA 0.645 4.984 4.350 -0.019 0.000 0.266 4063 E C -1.641 175.021 176.600 0.104 0.000 0.883 4063 E CA -0.628 55.877 56.400 0.174 0.000 0.761 4063 E CB 1.771 31.588 29.700 0.196 0.000 1.156 4063 E HN 0.632 nan 8.360 nan 0.000 0.412 4064 I N 5.393 126.025 120.570 0.102 0.000 2.389 4064 I HA 0.329 4.488 4.170 -0.019 0.000 0.288 4064 I C -0.868 175.308 176.117 0.099 0.000 0.999 4064 I CA -0.917 60.397 61.300 0.022 0.000 1.129 4064 I CB 0.774 38.790 38.000 0.027 0.000 1.288 4064 I HN 0.469 nan 8.210 nan 0.000 0.444 4065 Y N 4.094 124.424 120.300 0.050 0.000 2.602 4065 Y HA 1.015 5.554 4.550 -0.019 0.000 0.342 4065 Y C -0.120 175.805 175.900 0.042 0.000 1.029 4065 Y CA -1.359 56.768 58.100 0.045 0.000 1.080 4065 Y CB 1.803 40.282 38.460 0.033 0.000 1.284 4065 Y HN 0.681 nan 8.280 nan 0.000 0.485 4066 G N 0.454 109.430 108.800 0.293 0.000 2.316 4066 G HA2 0.445 4.393 3.960 -0.019 0.000 0.296 4066 G HA3 0.445 4.393 3.960 -0.019 0.000 0.296 4066 G C -3.541 171.444 174.900 0.142 0.000 1.399 4066 G CA -1.308 43.904 45.100 0.186 0.000 0.833 4066 G HN 0.512 nan 8.290 nan 0.000 0.565 4067 P HA 0.317 nan 4.420 nan 0.000 0.274 4067 P C -0.283 177.055 177.300 0.063 0.000 1.260 4067 P CA -0.309 62.834 63.100 0.072 0.000 0.793 4067 P CB 0.262 31.995 31.700 0.055 0.000 1.048 4068 E N -0.666 119.564 120.200 0.049 0.000 2.413 4068 E HA 0.175 4.513 4.350 -0.019 0.000 0.263 4068 E C 0.104 176.728 176.600 0.040 0.000 1.015 4068 E CA -0.160 56.266 56.400 0.043 0.000 0.916 4068 E CB -0.677 29.041 29.700 0.030 0.000 0.947 4068 E HN 0.279 nan 8.360 nan 0.000 0.440 4069 S N 0.519 116.243 115.700 0.041 0.000 3.533 4069 S HA -0.227 4.232 4.470 -0.019 0.000 0.347 4069 S C 0.979 175.618 174.600 0.065 0.000 1.101 4069 S CA 0.985 59.209 58.200 0.041 0.000 1.009 4069 S CB -1.772 61.436 63.200 0.013 0.000 0.916 4069 S HN 0.728 nan 8.310 nan 0.000 0.496 4070 S N -0.329 115.413 115.700 0.068 0.000 2.478 4070 S HA 0.429 4.888 4.470 -0.019 0.000 0.222 4070 S C 1.550 176.202 174.600 0.085 0.000 1.008 4070 S CA 0.816 59.055 58.200 0.065 0.000 0.928 4070 S CB 0.487 63.719 63.200 0.053 0.000 0.781 4070 S HN 1.926 nan 8.310 nan 0.000 0.518 4071 G N 1.114 109.980 108.800 0.110 0.000 2.155 4071 G HA2 -0.155 3.794 3.960 -0.019 0.000 0.130 4071 G HA3 -0.155 3.794 3.960 -0.019 0.000 0.130 4071 G C 0.600 175.587 174.900 0.145 0.000 1.027 4071 G CA 0.073 45.262 45.100 0.149 0.000 0.705 4071 G HN 0.415 nan 8.290 nan 0.000 0.496 4072 K N 0.049 120.522 120.400 0.121 0.000 2.009 4072 K HA -0.072 4.237 4.320 -0.019 0.000 0.210 4072 K C 2.564 179.247 176.600 0.138 0.000 1.049 4072 K CA 2.021 58.378 56.287 0.116 0.000 0.929 4072 K CB -0.390 32.174 32.500 0.106 0.000 0.714 4072 K HN 0.301 nan 8.250 nan 0.000 0.440 4073 T N 0.859 115.509 114.554 0.159 0.000 2.674 4073 T HA -0.146 4.193 4.350 -0.019 0.000 0.265 4073 T C 2.049 176.862 174.700 0.189 0.000 1.039 4073 T CA 1.882 64.105 62.100 0.206 0.000 1.150 4073 T CB -0.564 68.430 68.868 0.211 0.000 0.864 4073 T HN 0.261 nan 8.240 nan 0.000 0.427 4074 T N 2.376 117.043 114.554 0.189 0.000 2.624 4074 T HA -0.114 4.225 4.350 -0.019 0.000 0.268 4074 T C 1.933 176.706 174.700 0.122 0.000 1.041 4074 T CA 1.386 63.597 62.100 0.185 0.000 1.159 4074 T CB -0.647 68.364 68.868 0.238 0.000 0.863 4074 T HN 0.200 nan 8.240 nan 0.000 0.434 4075 L N 0.297 121.598 121.223 0.129 0.000 1.989 4075 L HA -0.178 4.151 4.340 -0.019 0.000 0.211 4075 L C 2.714 179.621 176.870 0.062 0.000 1.071 4075 L CA 1.793 56.685 54.840 0.087 0.000 0.749 4075 L CB -0.879 41.250 42.059 0.117 0.000 0.890 4075 L HN 0.248 nan 8.230 nan 0.000 0.431 4076 T N 0.123 114.733 114.554 0.094 0.000 2.620 4076 T HA -0.291 4.048 4.350 -0.019 0.000 0.267 4076 T C 1.803 176.565 174.700 0.104 0.000 1.044 4076 T CA 2.310 64.473 62.100 0.106 0.000 1.161 4076 T CB -0.402 68.566 68.868 0.168 0.000 0.862 4076 T HN 0.306 nan 8.240 nan 0.000 0.438 4077 L N 0.709 121.996 121.223 0.106 0.000 2.083 4077 L HA -0.129 4.200 4.340 -0.019 0.000 0.209 4077 L C 3.034 179.896 176.870 -0.013 0.000 1.083 4077 L CA 1.102 55.965 54.840 0.038 0.000 0.752 4077 L CB -0.555 41.495 42.059 -0.016 0.000 0.899 4077 L HN 0.246 nan 8.230 nan 0.000 0.433 4078 Q N -0.307 119.481 119.800 -0.020 0.000 2.096 4078 Q HA -0.200 4.129 4.340 -0.019 0.000 0.204 4078 Q C 2.467 178.431 176.000 -0.059 0.000 0.982 4078 Q CA 2.008 57.776 55.803 -0.058 0.000 0.850 4078 Q CB -0.735 27.960 28.738 -0.070 0.000 0.901 4078 Q HN 0.581 nan 8.270 nan 0.000 0.422 4079 V N -0.642 119.251 119.914 -0.034 0.000 2.358 4079 V HA -0.209 3.900 4.120 -0.019 0.000 0.246 4079 V C 2.123 178.199 176.094 -0.030 0.000 1.047 4079 V CA 1.280 63.558 62.300 -0.036 0.000 1.035 4079 V CB -0.550 31.259 31.823 -0.023 0.000 0.658 4079 V HN 0.229 nan 8.190 nan 0.000 0.452 4080 I N 1.119 121.684 120.570 -0.009 0.000 2.127 4080 I HA -0.210 3.948 4.170 -0.019 0.000 0.241 4080 I C 3.005 179.102 176.117 -0.034 0.000 1.075 4080 I CA 1.907 63.203 61.300 -0.007 0.000 1.334 4080 I CB -0.833 37.184 38.000 0.028 0.000 1.040 4080 I HN 0.441 nan 8.210 nan 0.000 0.405 4081 A N 0.754 123.543 122.820 -0.051 0.000 1.892 4081 A HA -0.275 4.034 4.320 -0.019 0.000 0.218 4081 A C 2.535 180.072 177.584 -0.080 0.000 1.188 4081 A CA 2.325 54.318 52.037 -0.073 0.000 0.631 4081 A CB -1.061 17.883 19.000 -0.093 0.000 0.822 4081 A HN 0.472 nan 8.150 nan 0.000 0.447 4082 A N -0.402 122.367 122.820 -0.086 0.000 1.902 4082 A HA 0.142 4.450 4.320 -0.019 0.000 0.217 4082 A C 2.521 180.062 177.584 -0.071 0.000 1.181 4082 A CA 2.269 54.250 52.037 -0.094 0.000 0.623 4082 A CB -1.042 17.898 19.000 -0.101 0.000 0.818 4082 A HN 1.149 nan 8.150 nan 0.000 0.443 4083 A N -0.861 121.926 122.820 -0.055 0.000 1.902 4083 A HA -0.197 4.112 4.320 -0.019 0.000 0.217 4083 A C 2.121 179.681 177.584 -0.041 0.000 1.181 4083 A CA 1.608 53.619 52.037 -0.043 0.000 0.623 4083 A CB -0.532 18.448 19.000 -0.033 0.000 0.818 4083 A HN 0.654 nan 8.150 nan 0.000 0.443 4084 Q N -1.240 118.534 119.800 -0.043 0.000 2.119 4084 Q HA -0.138 4.191 4.340 -0.019 0.000 0.201 4084 Q C 2.227 178.199 176.000 -0.047 0.000 0.972 4084 Q CA 1.305 57.083 55.803 -0.041 0.000 0.847 4084 Q CB -0.125 28.588 28.738 -0.042 0.000 0.903 4084 Q HN 0.543 nan 8.270 nan 0.000 0.433 4085 R N 1.095 121.561 120.500 -0.058 0.000 2.249 4085 R HA -0.123 4.206 4.340 -0.019 0.000 0.230 4085 R C 0.429 176.696 176.300 -0.054 0.000 1.121 4085 R CA 1.051 57.113 56.100 -0.063 0.000 0.997 4085 R CB 0.214 30.464 30.300 -0.083 0.000 0.867 4085 R HN 0.242 nan 8.270 nan 0.000 0.465 4086 E N -1.611 118.560 120.200 -0.048 0.000 2.685 4086 E HA 0.199 4.538 4.350 -0.019 0.000 0.208 4086 E C 0.121 176.702 176.600 -0.032 0.000 0.996 4086 E CA 0.264 56.640 56.400 -0.039 0.000 1.054 4086 E CB 1.115 30.792 29.700 -0.039 0.000 1.075 4086 E HN 0.388 nan 8.360 nan 0.000 0.460 4087 G N 2.247 111.028 108.800 -0.031 0.000 2.179 4087 G HA2 -0.326 3.623 3.960 -0.019 0.000 0.257 4087 G HA3 -0.326 3.623 3.960 -0.019 0.000 0.257 4087 G C 0.066 174.952 174.900 -0.023 0.000 1.010 4087 G CA 0.305 45.389 45.100 -0.026 0.000 0.736 4087 G HN 0.161 nan 8.290 nan 0.000 0.513 4088 K N 0.418 120.803 120.400 -0.025 0.000 2.118 4088 K HA 0.506 4.815 4.320 -0.019 0.000 0.267 4088 K C 0.143 176.731 176.600 -0.020 0.000 0.991 4088 K CA -0.289 55.984 56.287 -0.022 0.000 0.916 4088 K CB 1.007 33.493 32.500 -0.024 0.000 1.041 4088 K HN 0.118 nan 8.250 nan 0.000 0.455 4089 T N 1.703 116.246 114.554 -0.018 0.000 2.806 4089 T HA 0.292 4.631 4.350 -0.019 0.000 0.290 4089 T C -0.267 174.425 174.700 -0.014 0.000 0.966 4089 T CA -0.518 61.573 62.100 -0.015 0.000 1.060 4089 T CB 0.276 69.136 68.868 -0.014 0.000 0.927 4089 T HN 0.532 nan 8.240 nan 0.000 0.485 4090 C N 2.374 121.670 119.300 -0.007 0.000 2.634 4090 C HA 0.946 5.395 4.460 -0.019 0.000 0.313 4090 C C 0.365 175.364 174.990 0.015 0.000 1.198 4090 C CA -0.991 58.028 59.018 0.001 0.000 1.605 4090 C CB 0.900 28.647 27.740 0.011 0.000 2.196 4090 C HN 1.052 nan 8.230 nan 0.000 0.486 4091 A N 1.390 124.218 122.820 0.015 0.000 2.386 4091 A HA 0.865 5.174 4.320 -0.019 0.000 0.311 4091 A C -1.400 176.224 177.584 0.066 0.000 1.068 4091 A CA -0.268 51.787 52.037 0.029 0.000 0.743 4091 A CB 0.951 19.942 19.000 -0.014 0.000 1.258 4091 A HN 0.832 nan 8.150 nan 0.000 0.429 4092 F N 3.477 123.392 119.950 -0.058 0.000 2.460 4092 F HA 0.554 5.070 4.527 -0.019 0.000 0.341 4092 F C -0.676 175.084 175.800 -0.067 0.000 1.130 4092 F CA -0.879 57.084 58.000 -0.061 0.000 0.962 4092 F CB 1.266 40.238 39.000 -0.047 0.000 1.171 4092 F HN 0.379 nan 8.300 nan 0.000 0.436 4093 I N 4.879 125.240 120.570 -0.348 0.000 2.287 4093 I HA 0.123 4.282 4.170 -0.019 0.000 0.290 4093 I C -0.182 175.783 176.117 -0.253 0.000 1.069 4093 I CA -0.319 60.853 61.300 -0.213 0.000 1.237 4093 I CB 0.512 38.392 38.000 -0.200 0.000 1.418 4093 I HN 0.514 nan 8.210 nan 0.000 0.481 4094 D N 5.353 125.748 120.400 -0.009 0.000 2.619 4094 D HA 0.356 4.985 4.640 -0.019 0.000 0.224 4094 D C 1.252 177.457 176.300 -0.157 0.000 1.133 4094 D CA -0.080 53.958 54.000 0.064 0.000 1.017 4094 D CB 0.822 41.755 40.800 0.221 0.000 1.077 4094 D HN 0.597 nan 8.370 nan 0.000 0.503 4095 A N 2.327 125.091 122.820 -0.094 0.000 2.067 4095 A HA -0.107 4.202 4.320 -0.019 0.000 0.219 4095 A C 1.903 179.569 177.584 0.137 0.000 1.158 4095 A CA 0.754 52.779 52.037 -0.020 0.000 0.661 4095 A CB -0.206 18.812 19.000 0.031 0.000 0.801 4095 A HN 0.525 nan 8.150 nan 0.000 0.452 4096 E N -1.089 119.172 120.200 0.102 0.000 2.435 4096 E HA -0.072 4.267 4.350 -0.019 0.000 0.195 4096 E C -0.500 176.240 176.600 0.233 0.000 1.029 4096 E CA -0.012 56.484 56.400 0.160 0.000 0.865 4096 E CB -0.126 29.645 29.700 0.120 0.000 0.833 4096 E HN 0.687 nan 8.360 nan 0.000 0.510 4097 H N -1.935 117.182 119.070 0.078 0.000 2.692 4097 H HA -0.208 4.337 4.556 -0.018 0.000 0.316 4097 H C 0.018 175.379 175.328 0.054 0.000 1.176 4097 H CA 0.597 56.684 56.048 0.065 0.000 1.142 4097 H CB -1.350 28.437 29.762 0.042 0.000 1.475 4097 H HN 0.266 nan 8.280 nan 0.000 0.423 4098 A N 0.334 123.231 122.820 0.128 0.000 2.704 4098 A HA 0.220 4.529 4.320 -0.019 0.000 0.260 4098 A C 0.446 178.060 177.584 0.050 0.000 1.144 4098 A CA -0.385 51.703 52.037 0.085 0.000 0.985 4098 A CB 0.734 19.782 19.000 0.080 0.000 1.256 4098 A HN 0.143 nan 8.150 nan 0.000 0.598 4099 L N 1.397 122.645 121.223 0.041 0.000 2.410 4099 L HA 0.410 4.739 4.340 -0.019 0.000 0.273 4099 L C -0.548 176.298 176.870 -0.041 0.000 1.144 4099 L CA 0.232 55.047 54.840 -0.041 0.000 0.863 4099 L CB 0.524 42.485 42.059 -0.163 0.000 1.140 4099 L HN 0.216 nan 8.230 nan 0.000 0.463 4100 D N 7.252 127.636 120.400 -0.025 0.000 2.412 4100 D HA 0.323 4.952 4.640 -0.019 0.000 0.224 4100 D C -1.774 174.527 176.300 0.002 0.000 1.093 4100 D CA -2.215 51.787 54.000 0.003 0.000 0.850 4100 D CB 1.508 42.323 40.800 0.026 0.000 1.046 4100 D HN 0.357 nan 8.370 nan 0.000 0.507 4101 P HA -0.168 nan 4.420 nan 0.000 0.215 4101 P C 1.656 178.942 177.300 -0.022 0.000 1.153 4101 P CA 0.673 63.744 63.100 -0.049 0.000 0.853 4101 P CB 0.524 32.199 31.700 -0.041 0.000 0.788 4102 I N -1.709 118.868 120.570 0.011 0.000 2.286 4102 I HA -0.239 3.920 4.170 -0.019 0.000 0.248 4102 I C 2.676 178.825 176.117 0.054 0.000 1.115 4102 I CA 1.407 62.721 61.300 0.024 0.000 1.392 4102 I CB -1.091 36.928 38.000 0.033 0.000 1.065 4102 I HN -0.133 nan 8.210 nan 0.000 0.418 4103 Y N 0.992 121.265 120.300 -0.045 0.000 2.263 4103 Y HA -0.135 4.404 4.550 -0.019 0.000 0.292 4103 Y C 2.435 178.305 175.900 -0.049 0.000 1.130 4103 Y CA 1.108 59.186 58.100 -0.037 0.000 1.179 4103 Y CB -0.460 37.980 38.460 -0.033 0.000 0.998 4103 Y HN 0.122 nan 8.280 nan 0.000 0.532 4104 A N 0.757 123.538 122.820 -0.065 0.000 1.908 4104 A HA -0.223 4.086 4.320 -0.019 0.000 0.218 4104 A C 2.426 179.906 177.584 -0.174 0.000 1.181 4104 A CA 1.805 53.745 52.037 -0.161 0.000 0.627 4104 A CB -0.765 18.141 19.000 -0.157 0.000 0.818 4104 A HN 0.471 nan 8.150 nan 0.000 0.445 4105 R N -0.112 120.313 120.500 -0.125 0.000 2.081 4105 R HA -0.129 4.200 4.340 -0.019 0.000 0.235 4105 R C 2.074 178.295 176.300 -0.131 0.000 1.131 4105 R CA 1.856 57.892 56.100 -0.106 0.000 0.960 4105 R CB -0.311 29.948 30.300 -0.068 0.000 0.856 4105 R HN 0.542 nan 8.270 nan 0.000 0.436 4106 K N 0.270 120.574 120.400 -0.161 0.000 2.152 4106 K HA -0.096 4.213 4.320 -0.019 0.000 0.206 4106 K C 1.875 178.335 176.600 -0.234 0.000 1.048 4106 K CA 1.189 57.368 56.287 -0.180 0.000 0.933 4106 K CB -0.070 32.317 32.500 -0.187 0.000 0.721 4106 K HN 0.233 nan 8.250 nan 0.000 0.447 4107 L N -0.491 120.537 121.223 -0.326 0.000 2.610 4107 L HA 0.063 4.392 4.340 -0.019 0.000 0.232 4107 L C 0.991 177.757 176.870 -0.173 0.000 1.149 4107 L CA 0.471 55.149 54.840 -0.271 0.000 0.872 4107 L CB -0.122 41.745 42.059 -0.320 0.000 0.992 4107 L HN 0.468 nan 8.230 nan 0.000 0.447 4108 G N 0.116 108.827 108.800 -0.149 0.000 2.131 4108 G HA2 -0.222 3.727 3.960 -0.019 0.000 0.223 4108 G HA3 -0.222 3.727 3.960 -0.019 0.000 0.223 4108 G C 0.090 174.928 174.900 -0.103 0.000 0.990 4108 G CA -0.147 44.884 45.100 -0.115 0.000 0.671 4108 G HN 0.086 nan 8.290 nan 0.000 0.521 4109 V N 1.077 120.925 119.914 -0.110 0.000 2.530 4109 V HA 0.378 4.487 4.120 -0.019 0.000 0.282 4109 V C 0.652 176.699 176.094 -0.078 0.000 1.048 4109 V CA -0.149 62.095 62.300 -0.092 0.000 0.997 4109 V CB 1.698 33.458 31.823 -0.105 0.000 0.987 4109 V HN 0.372 nan 8.190 nan 0.000 0.477 4110 D N 4.612 124.973 120.400 -0.064 0.000 2.416 4110 D HA 0.089 4.718 4.640 -0.019 0.000 0.240 4110 D C 1.078 177.348 176.300 -0.050 0.000 1.250 4110 D CA -0.262 53.706 54.000 -0.053 0.000 0.967 4110 D CB 0.472 41.245 40.800 -0.044 0.000 1.059 4110 D HN 0.283 nan 8.370 nan 0.000 0.512 4111 I N 2.641 123.179 120.570 -0.054 0.000 2.208 4111 I HA -0.215 3.944 4.170 -0.019 0.000 0.245 4111 I C 1.481 177.575 176.117 -0.039 0.000 1.097 4111 I CA 0.993 62.261 61.300 -0.053 0.000 1.363 4111 I CB -0.650 37.319 38.000 -0.053 0.000 1.051 4111 I HN 0.403 nan 8.210 nan 0.000 0.413 4112 D N 0.687 121.067 120.400 -0.033 0.000 2.310 4112 D HA -0.112 4.517 4.640 -0.019 0.000 0.212 4112 D C 1.452 177.739 176.300 -0.021 0.000 0.965 4112 D CA 0.774 54.759 54.000 -0.025 0.000 0.879 4112 D CB -0.087 40.699 40.800 -0.023 0.000 0.921 4112 D HN 0.401 nan 8.370 nan 0.000 0.510 4113 N N -0.150 118.536 118.700 -0.023 0.000 2.181 4113 N HA 0.024 4.753 4.740 -0.019 0.000 0.207 4113 N C 0.287 175.789 175.510 -0.015 0.000 1.182 4113 N CA -0.215 52.824 53.050 -0.018 0.000 0.893 4113 N CB 1.323 39.798 38.487 -0.020 0.000 1.032 4113 N HN 0.149 nan 8.380 nan 0.000 0.513 4114 L N 2.880 124.093 121.223 -0.018 0.000 2.407 4114 L HA 0.252 4.581 4.340 -0.019 0.000 0.282 4114 L C -0.211 176.662 176.870 0.006 0.000 1.110 4114 L CA -0.036 54.800 54.840 -0.007 0.000 0.863 4114 L CB -0.104 41.941 42.059 -0.023 0.000 1.207 4114 L HN -0.003 nan 8.230 nan 0.000 0.454 4115 L N 5.388 126.621 121.223 0.016 0.000 2.490 4115 L HA 0.059 4.388 4.340 -0.019 0.000 0.274 4115 L C 0.117 177.017 176.870 0.050 0.000 1.201 4115 L CA 0.326 55.179 54.840 0.021 0.000 0.869 4115 L CB 0.817 42.884 42.059 0.013 0.000 1.123 4115 L HN 0.703 nan 8.230 nan 0.000 0.484 4116 C N 3.175 122.501 119.300 0.043 0.000 2.701 4116 C HA 0.653 5.102 4.460 -0.019 0.000 0.336 4116 C C -0.315 174.701 174.990 0.044 0.000 1.123 4116 C CA -0.437 58.624 59.018 0.072 0.000 1.326 4116 C CB 1.504 29.273 27.740 0.049 0.000 1.833 4116 C HN 0.811 nan 8.230 nan 0.000 0.473 4117 S N 3.821 119.549 115.700 0.047 0.000 2.538 4117 S HA 0.608 5.066 4.470 -0.019 0.000 0.288 4117 S C -1.247 173.338 174.600 -0.024 0.000 1.108 4117 S CA -0.284 57.921 58.200 0.009 0.000 0.971 4117 S CB 1.506 64.704 63.200 -0.004 0.000 1.041 4117 S HN 0.849 nan 8.310 nan 0.000 0.483 4118 Q N 4.138 123.909 119.800 -0.048 0.000 2.571 4118 Q HA 0.341 4.670 4.340 -0.019 0.000 0.243 4118 Q C -2.366 173.616 176.000 -0.031 0.000 1.055 4118 Q CA -1.837 53.871 55.803 -0.160 0.000 0.815 4118 Q CB 1.456 30.081 28.738 -0.189 0.000 1.151 4118 Q HN 0.538 nan 8.270 nan 0.000 0.519 4119 P HA 0.079 nan 4.420 nan 0.000 0.274 4119 P C -0.288 177.095 177.300 0.138 0.000 1.237 4119 P CA -0.174 62.959 63.100 0.054 0.000 0.793 4119 P CB 1.504 33.221 31.700 0.028 0.000 0.977 4120 D N -0.293 120.166 120.400 0.098 0.000 2.146 4120 D HA -0.027 4.602 4.640 -0.019 0.000 0.209 4120 D C 0.979 177.322 176.300 0.071 0.000 0.973 4120 D CA 1.560 55.613 54.000 0.090 0.000 0.860 4120 D CB -0.416 40.416 40.800 0.052 0.000 1.015 4120 D HN 0.524 nan 8.370 nan 0.000 0.465 4121 T N -2.763 111.821 114.554 0.050 0.000 2.952 4121 T HA 0.528 4.867 4.350 -0.019 0.000 0.286 4121 T C 1.395 176.118 174.700 0.039 0.000 1.024 4121 T CA -0.359 61.763 62.100 0.037 0.000 1.029 4121 T CB 1.908 70.789 68.868 0.021 0.000 1.094 4121 T HN -0.001 nan 8.240 nan 0.000 0.515 4122 G N 0.310 109.129 108.800 0.033 0.000 2.422 4122 G HA2 -0.116 3.833 3.960 -0.019 0.000 0.218 4122 G HA3 -0.116 3.833 3.960 -0.019 0.000 0.218 4122 G C 1.164 176.079 174.900 0.025 0.000 1.146 4122 G CA 0.597 45.716 45.100 0.032 0.000 0.769 4122 G HN 0.793 nan 8.290 nan 0.000 0.547 4123 E N -0.006 120.204 120.200 0.016 0.000 2.085 4123 E HA -0.135 4.204 4.350 -0.019 0.000 0.194 4123 E C 2.424 179.032 176.600 0.014 0.000 0.994 4123 E CA 1.250 57.656 56.400 0.010 0.000 0.801 4123 E CB -0.254 29.448 29.700 0.003 0.000 0.743 4123 E HN 0.609 nan 8.360 nan 0.000 0.453 4124 Q N 0.123 119.933 119.800 0.016 0.000 2.061 4124 Q HA -0.233 4.096 4.340 -0.019 0.000 0.204 4124 Q C 2.156 178.164 176.000 0.013 0.000 0.984 4124 Q CA 1.707 57.519 55.803 0.015 0.000 0.846 4124 Q CB -0.226 28.524 28.738 0.020 0.000 0.902 4124 Q HN 0.310 nan 8.270 nan 0.000 0.421 4125 A N 0.700 123.531 122.820 0.018 0.000 1.892 4125 A HA -0.205 4.104 4.320 -0.019 0.000 0.218 4125 A C 2.030 179.620 177.584 0.009 0.000 1.188 4125 A CA 1.683 53.726 52.037 0.010 0.000 0.631 4125 A CB -0.756 18.256 19.000 0.020 0.000 0.822 4125 A HN 0.464 nan 8.150 nan 0.000 0.447 4126 L N -1.225 120.014 121.223 0.027 0.000 2.179 4126 L HA -0.054 4.275 4.340 -0.019 0.000 0.208 4126 L C 2.525 179.405 176.870 0.015 0.000 1.096 4126 L CA 0.767 55.629 54.840 0.036 0.000 0.779 4126 L CB -0.430 41.659 42.059 0.050 0.000 0.922 4126 L HN 0.262 nan 8.230 nan 0.000 0.443 4127 E N 0.547 120.753 120.200 0.010 0.000 2.153 4127 E HA -0.160 4.179 4.350 -0.019 0.000 0.194 4127 E C 2.280 178.878 176.600 -0.002 0.000 0.988 4127 E CA 1.177 57.580 56.400 0.005 0.000 0.811 4127 E CB -0.050 29.653 29.700 0.006 0.000 0.746 4127 E HN 0.506 nan 8.360 nan 0.000 0.466 4128 I N 0.108 120.674 120.570 -0.006 0.000 2.252 4128 I HA -0.316 3.843 4.170 -0.019 0.000 0.245 4128 I C 2.524 178.626 176.117 -0.025 0.000 1.102 4128 I CA 0.651 61.943 61.300 -0.014 0.000 1.385 4128 I CB -0.234 37.756 38.000 -0.016 0.000 1.064 4128 I HN 0.126 nan 8.210 nan 0.000 0.414 4129 C N 0.418 119.698 119.300 -0.032 0.000 2.413 4129 C HA -0.232 4.217 4.460 -0.019 0.000 0.276 4129 C C 2.589 177.558 174.990 -0.035 0.000 1.236 4129 C CA 1.391 60.380 59.018 -0.049 0.000 1.735 4129 C CB -0.984 26.724 27.740 -0.054 0.000 2.031 4129 C HN 0.541 nan 8.230 nan 0.000 0.474 4130 D N 0.334 120.723 120.400 -0.019 0.000 2.117 4130 D HA -0.079 4.550 4.640 -0.019 0.000 0.197 4130 D C 2.187 178.477 176.300 -0.017 0.000 0.987 4130 D CA 1.603 55.593 54.000 -0.016 0.000 0.829 4130 D CB -0.217 40.578 40.800 -0.008 0.000 0.961 4130 D HN 0.411 nan 8.370 nan 0.000 0.460 4131 A N 0.102 122.914 122.820 -0.014 0.000 1.883 4131 A HA -0.132 4.177 4.320 -0.019 0.000 0.217 4131 A C 2.429 180.004 177.584 -0.016 0.000 1.186 4131 A CA 1.233 53.263 52.037 -0.012 0.000 0.624 4131 A CB -0.862 18.133 19.000 -0.008 0.000 0.822 4131 A HN 0.347 nan 8.150 nan 0.000 0.444 4132 L N -0.920 120.290 121.223 -0.022 0.000 2.056 4132 L HA -0.162 4.167 4.340 -0.019 0.000 0.207 4132 L C 3.120 179.973 176.870 -0.027 0.000 1.078 4132 L CA 0.925 55.750 54.840 -0.025 0.000 0.749 4132 L CB -0.676 41.363 42.059 -0.034 0.000 0.901 4132 L HN 0.446 nan 8.230 nan 0.000 0.433 4133 A N 0.353 123.154 122.820 -0.032 0.000 1.851 4133 A HA -0.246 4.063 4.320 -0.019 0.000 0.216 4133 A C 2.407 179.976 177.584 -0.024 0.000 1.195 4133 A CA 1.773 53.791 52.037 -0.032 0.000 0.622 4133 A CB -0.620 18.358 19.000 -0.036 0.000 0.831 4133 A HN 0.292 nan 8.150 nan 0.000 0.444 4134 R N -0.003 120.485 120.500 -0.020 0.000 2.105 4134 R HA -0.148 4.181 4.340 -0.019 0.000 0.239 4134 R C 2.627 178.921 176.300 -0.010 0.000 1.135 4134 R CA 1.689 57.781 56.100 -0.014 0.000 0.967 4134 R CB -0.440 29.854 30.300 -0.011 0.000 0.861 4134 R HN 0.771 nan 8.270 nan 0.000 0.442 4135 S N -0.650 115.043 115.700 -0.011 0.000 2.399 4135 S HA -0.090 4.369 4.470 -0.019 0.000 0.231 4135 S C 1.652 176.247 174.600 -0.008 0.000 1.022 4135 S CA 1.164 59.359 58.200 -0.008 0.000 0.983 4135 S CB -0.272 62.922 63.200 -0.010 0.000 0.803 4135 S HN 0.550 nan 8.310 nan 0.000 0.480 4136 G N 0.524 109.318 108.800 -0.010 0.000 2.155 4136 G HA2 -0.193 3.756 3.960 -0.019 0.000 0.257 4136 G HA3 -0.193 3.756 3.960 -0.019 0.000 0.257 4136 G C 0.734 175.629 174.900 -0.009 0.000 0.983 4136 G CA 0.370 45.464 45.100 -0.009 0.000 0.676 4136 G HN 1.420 nan 8.290 nan 0.000 0.528 4137 A N -1.223 121.591 122.820 -0.011 0.000 2.197 4137 A HA 0.681 4.990 4.320 -0.019 0.000 0.210 4137 A C 1.000 178.576 177.584 -0.014 0.000 1.180 4137 A CA 1.231 53.261 52.037 -0.011 0.000 0.846 4137 A CB 0.613 19.607 19.000 -0.009 0.000 0.884 4137 A HN 0.974 nan 8.150 nan 0.000 0.487 4138 V N 0.943 120.846 119.914 -0.017 0.000 2.483 4138 V HA 0.236 4.345 4.120 -0.019 0.000 0.295 4138 V C 0.135 176.215 176.094 -0.023 0.000 1.035 4138 V CA -0.512 61.776 62.300 -0.021 0.000 0.896 4138 V CB 1.643 33.451 31.823 -0.026 0.000 0.986 4138 V HN 0.392 nan 8.190 nan 0.000 0.447 4139 D N 1.699 122.085 120.400 -0.023 0.000 2.338 4139 D HA 0.078 4.707 4.640 -0.019 0.000 0.224 4139 D C 0.351 176.633 176.300 -0.030 0.000 0.967 4139 D CA 1.160 55.146 54.000 -0.023 0.000 0.896 4139 D CB 1.475 42.262 40.800 -0.020 0.000 1.028 4139 D HN 0.400 nan 8.370 nan 0.000 0.493 4140 V N 1.100 120.994 119.914 -0.033 0.000 2.577 4140 V HA 0.479 4.588 4.120 -0.019 0.000 0.303 4140 V C -1.426 174.634 176.094 -0.057 0.000 1.042 4140 V CA -0.723 61.551 62.300 -0.044 0.000 0.872 4140 V CB 1.880 33.682 31.823 -0.035 0.000 0.998 4140 V HN -0.094 nan 8.190 nan 0.000 0.423 4141 I N 6.869 127.381 120.570 -0.097 0.000 2.433 4141 I HA 0.641 4.800 4.170 -0.019 0.000 0.292 4141 I C -0.395 175.590 176.117 -0.220 0.000 1.001 4141 I CA -1.029 60.186 61.300 -0.142 0.000 1.119 4141 I CB 1.958 39.859 38.000 -0.164 0.000 1.289 4141 I HN 0.628 nan 8.210 nan 0.000 0.438 4142 V N 6.963 126.721 119.914 -0.261 0.000 2.495 4142 V HA 0.583 4.692 4.120 -0.019 0.000 0.298 4142 V C -0.759 174.989 176.094 -0.576 0.000 1.031 4142 V CA -0.376 61.691 62.300 -0.389 0.000 0.871 4142 V CB 2.033 33.689 31.823 -0.278 0.000 0.988 4142 V HN 0.443 nan 8.190 nan 0.000 0.432 4143 V N 5.626 125.217 119.914 -0.538 0.000 2.328 4143 V HA 0.393 4.502 4.120 -0.019 0.000 0.278 4143 V C -0.127 175.782 176.094 -0.309 0.000 1.021 4143 V CA -0.341 61.701 62.300 -0.430 0.000 0.838 4143 V CB 1.186 32.801 31.823 -0.346 0.000 0.999 4143 V HN 0.978 nan 8.190 nan 0.000 0.447 4144 D N 3.667 123.839 120.400 -0.380 0.000 2.365 4144 D HA 0.302 4.931 4.640 -0.019 0.000 0.237 4144 D C 0.033 176.327 176.300 -0.011 0.000 1.190 4144 D CA 0.654 54.560 54.000 -0.158 0.000 0.867 4144 D CB 0.654 41.417 40.800 -0.061 0.000 1.050 4144 D HN 0.644 nan 8.370 nan 0.000 0.491 4145 S N 1.312 117.040 115.700 0.047 0.000 3.392 4145 S HA -0.150 4.309 4.470 -0.019 0.000 0.693 4145 S C 1.175 175.830 174.600 0.091 0.000 0.620 4145 S CA 0.334 58.581 58.200 0.078 0.000 1.452 4145 S CB -1.030 62.215 63.200 0.075 0.000 0.988 4145 S HN 0.531 nan 8.310 nan 0.000 0.932 4146 V N 2.430 122.412 119.914 0.113 0.000 2.515 4146 V HA -0.020 4.089 4.120 -0.019 0.000 0.250 4146 V C 2.335 178.453 176.094 0.040 0.000 1.058 4146 V CA 2.350 64.698 62.300 0.080 0.000 1.064 4146 V CB -1.094 30.730 31.823 0.001 0.000 0.675 4146 V HN 1.458 nan 8.190 nan 0.000 0.461 4147 A N 0.724 123.568 122.820 0.041 0.000 1.997 4147 A HA -0.048 4.261 4.320 -0.019 0.000 0.221 4147 A C 2.360 179.966 177.584 0.037 0.000 1.172 4147 A CA 2.511 54.566 52.037 0.031 0.000 0.645 4147 A CB -0.984 18.038 19.000 0.036 0.000 0.813 4147 A HN 1.236 nan 8.150 nan 0.000 0.454 4148 A N -1.649 121.203 122.820 0.054 0.000 2.275 4148 A HA 0.445 4.754 4.320 -0.019 0.000 0.212 4148 A C 0.541 178.164 177.584 0.065 0.000 1.201 4148 A CA -0.136 51.941 52.037 0.065 0.000 0.843 4148 A CB -0.139 18.917 19.000 0.093 0.000 0.873 4148 A HN 0.283 nan 8.150 nan 0.000 0.492 4149 L N 2.554 123.809 121.223 0.053 0.000 2.451 4149 L HA 0.126 4.455 4.340 -0.019 0.000 0.272 4149 L C 0.061 176.949 176.870 0.031 0.000 1.258 4149 L CA 0.710 55.578 54.840 0.047 0.000 1.132 4149 L CB -1.068 41.019 42.059 0.046 0.000 1.361 4149 L HN 0.104 nan 8.230 nan 0.000 0.438 4150 T N 4.441 119.015 114.554 0.034 0.000 2.737 4150 T HA 0.251 4.590 4.350 -0.019 0.000 0.296 4150 T C -2.183 172.526 174.700 0.014 0.000 0.922 4150 T CA -1.192 60.920 62.100 0.020 0.000 1.079 4150 T CB 0.586 69.466 68.868 0.020 0.000 0.892 4150 T HN 0.205 nan 8.240 nan 0.000 0.514 4151 P HA 0.060 nan 4.420 nan 0.000 0.266 4151 P C 0.901 178.201 177.300 0.000 0.000 1.193 4151 P CA -0.266 62.834 63.100 -0.000 0.000 0.770 4151 P CB 0.722 32.418 31.700 -0.007 0.000 0.836 4152 K N 2.850 123.249 120.400 -0.001 0.000 2.063 4152 K HA -0.200 4.109 4.320 -0.019 0.000 0.208 4152 K C 1.800 178.397 176.600 -0.004 0.000 1.048 4152 K CA 1.799 58.085 56.287 -0.001 0.000 0.928 4152 K CB -0.583 31.915 32.500 -0.003 0.000 0.713 4152 K HN 0.468 nan 8.250 nan 0.000 0.442 4153 A N 0.839 123.655 122.820 -0.008 0.000 1.972 4153 A HA -0.202 4.107 4.320 -0.019 0.000 0.219 4153 A C 1.959 179.539 177.584 -0.007 0.000 1.169 4153 A CA 1.750 53.782 52.037 -0.009 0.000 0.635 4153 A CB -0.461 18.532 19.000 -0.012 0.000 0.810 4153 A HN 0.559 nan 8.150 nan 0.000 0.446 4154 E N 0.097 120.293 120.200 -0.006 0.000 2.072 4154 E HA -0.091 4.247 4.350 -0.019 0.000 0.191 4154 E C 1.218 177.815 176.600 -0.005 0.000 0.985 4154 E CA 1.019 57.416 56.400 -0.006 0.000 0.801 4154 E CB -0.207 29.490 29.700 -0.005 0.000 0.750 4154 E HN 0.690 nan 8.360 nan 0.000 0.452 4155 I N 0.965 121.533 120.570 -0.004 0.000 3.555 4155 I HA 0.025 4.184 4.170 -0.019 0.000 0.304 4155 I C 0.242 176.356 176.117 -0.005 0.000 1.246 4155 I CA 0.429 61.727 61.300 -0.005 0.000 1.220 4155 I CB -0.470 37.529 38.000 -0.002 0.000 1.001 4155 I HN 0.056 nan 8.210 nan 0.000 0.513 4165 G N 0.551 109.339 108.800 -0.020 0.000 2.225 4165 G HA2 -0.265 3.684 3.960 -0.019 0.000 0.264 4165 G HA3 -0.265 3.684 3.960 -0.019 0.000 0.264 4165 G C 0.333 175.220 174.900 -0.021 0.000 1.060 4165 G CA 0.492 45.579 45.100 -0.021 0.000 0.833 4165 G HN 0.618 nan 8.290 nan 0.000 0.498 4166 L N -0.693 120.518 121.223 -0.020 0.000 2.179 4166 L HA 0.329 4.658 4.340 -0.019 0.000 0.208 4166 L C 2.917 179.774 176.870 -0.022 0.000 1.096 4166 L CA 2.049 56.877 54.840 -0.020 0.000 0.779 4166 L CB -0.180 41.869 42.059 -0.018 0.000 0.922 4166 L HN 0.475 nan 8.230 nan 0.000 0.443 4167 A N -0.705 122.102 122.820 -0.022 0.000 1.970 4167 A HA -0.017 4.292 4.320 -0.019 0.000 0.216 4167 A C 2.401 179.964 177.584 -0.034 0.000 1.170 4167 A CA 1.175 53.197 52.037 -0.025 0.000 0.645 4167 A CB -0.603 18.384 19.000 -0.022 0.000 0.816 4167 A HN 0.431 nan 8.150 nan 0.000 0.447 4168 A N -0.026 122.775 122.820 -0.031 0.000 1.902 4168 A HA -0.170 4.139 4.320 -0.019 0.000 0.217 4168 A C 2.236 179.800 177.584 -0.033 0.000 1.181 4168 A CA 1.759 53.776 52.037 -0.032 0.000 0.623 4168 A CB -0.458 18.528 19.000 -0.023 0.000 0.818 4168 A HN 0.509 nan 8.150 nan 0.000 0.443 4169 R N -1.062 119.421 120.500 -0.029 0.000 2.092 4169 R HA -0.047 4.282 4.340 -0.019 0.000 0.231 4169 R C 2.259 178.540 176.300 -0.032 0.000 1.119 4169 R CA 1.502 57.585 56.100 -0.027 0.000 0.970 4169 R CB -0.276 30.009 30.300 -0.025 0.000 0.864 4169 R HN 0.659 nan 8.270 nan 0.000 0.440 4170 M N -0.416 119.163 119.600 -0.035 0.000 2.099 4170 M HA -0.177 4.292 4.480 -0.019 0.000 0.262 4170 M C 1.708 177.975 176.300 -0.054 0.000 1.067 4170 M CA 1.479 56.757 55.300 -0.036 0.000 1.124 4170 M CB 0.054 32.636 32.600 -0.029 0.000 1.353 4170 M HN 0.188 nan 8.290 nan 0.000 0.410 4171 M N -0.387 119.170 119.600 -0.071 0.000 2.117 4171 M HA -0.175 4.294 4.480 -0.019 0.000 0.262 4171 M C 2.442 178.663 176.300 -0.131 0.000 1.065 4171 M CA 1.585 56.813 55.300 -0.119 0.000 1.114 4171 M CB -1.398 31.121 32.600 -0.134 0.000 1.361 4171 M HN 0.390 nan 8.290 nan 0.000 0.408 4172 S N -0.159 115.490 115.700 -0.085 0.000 2.368 4172 S HA -0.212 4.247 4.470 -0.019 0.000 0.225 4172 S C 1.895 176.439 174.600 -0.094 0.000 1.030 4172 S CA 1.587 59.745 58.200 -0.071 0.000 0.999 4172 S CB -0.148 63.038 63.200 -0.024 0.000 0.844 4172 S HN 0.547 nan 8.310 nan 0.000 0.459 4173 Q N 0.118 119.879 119.800 -0.065 0.000 2.079 4173 Q HA -0.067 4.262 4.340 -0.019 0.000 0.200 4173 Q C 2.206 178.159 176.000 -0.079 0.000 0.974 4173 Q CA 1.378 57.153 55.803 -0.047 0.000 0.840 4173 Q CB -0.427 28.304 28.738 -0.012 0.000 0.898 4173 Q HN 0.626 nan 8.270 nan 0.000 0.430 4174 A N 0.862 123.626 122.820 -0.092 0.000 1.883 4174 A HA -0.228 4.081 4.320 -0.019 0.000 0.217 4174 A C 2.056 179.543 177.584 -0.162 0.000 1.186 4174 A CA 1.791 53.776 52.037 -0.087 0.000 0.624 4174 A CB -0.556 18.409 19.000 -0.058 0.000 0.822 4174 A HN 0.418 nan 8.150 nan 0.000 0.444 4175 M N -0.627 118.781 119.600 -0.320 0.000 2.080 4175 M HA -0.152 4.316 4.480 -0.019 0.000 0.260 4175 M C 2.169 178.124 176.300 -0.576 0.000 1.068 4175 M CA 1.633 56.548 55.300 -0.643 0.000 1.109 4175 M CB -1.422 30.384 32.600 -1.324 0.000 1.342 4175 M HN 0.416 nan 8.290 nan 0.000 0.405 4176 R N 0.309 120.586 120.500 -0.373 0.000 2.094 4176 R HA -0.168 4.161 4.340 -0.019 0.000 0.239 4176 R C 2.320 178.589 176.300 -0.052 0.000 1.137 4176 R CA 1.628 57.671 56.100 -0.096 0.000 0.943 4176 R CB -0.251 30.035 30.300 -0.023 0.000 0.850 4176 R HN 0.450 nan 8.270 nan 0.000 0.433 4177 K N 0.226 120.586 120.400 -0.067 0.000 2.103 4177 K HA -0.073 4.236 4.320 -0.019 0.000 0.204 4177 K C 2.176 178.744 176.600 -0.052 0.000 1.052 4177 K CA 1.005 57.267 56.287 -0.042 0.000 0.945 4177 K CB -0.042 32.442 32.500 -0.026 0.000 0.722 4177 K HN 0.159 nan 8.250 nan 0.000 0.443 4178 L N 0.586 121.770 121.223 -0.064 0.000 2.044 4178 L HA -0.095 4.234 4.340 -0.019 0.000 0.205 4178 L C 2.637 179.474 176.870 -0.056 0.000 1.075 4178 L CA 0.877 55.690 54.840 -0.045 0.000 0.747 4178 L CB -0.672 41.384 42.059 -0.006 0.000 0.903 4178 L HN 0.147 nan 8.230 nan 0.000 0.435 4179 A N 0.721 123.517 122.820 -0.040 0.000 1.909 4179 A HA -0.284 4.025 4.320 -0.019 0.000 0.221 4179 A C 2.355 179.811 177.584 -0.213 0.000 1.223 4179 A CA 2.438 54.480 52.037 0.008 0.000 0.658 4179 A CB -1.566 17.561 19.000 0.211 0.000 0.831 4179 A HN 0.483 nan 8.150 nan 0.000 0.462 4180 G N -0.964 107.610 108.800 -0.376 0.000 2.404 4180 G HA2 -0.260 3.689 3.960 -0.019 0.000 0.215 4180 G HA3 -0.260 3.689 3.960 -0.019 0.000 0.215 4180 G C 1.443 176.122 174.900 -0.367 0.000 1.174 4180 G CA 1.029 45.666 45.100 -0.772 0.000 0.780 4180 G HN 0.730 nan 8.290 nan 0.000 0.537 4181 N N -0.035 118.558 118.700 -0.178 0.000 2.166 4181 N HA -0.010 4.719 4.740 -0.019 0.000 0.186 4181 N C 2.197 177.661 175.510 -0.076 0.000 1.019 4181 N CA 0.445 53.438 53.050 -0.094 0.000 0.856 4181 N CB -0.122 38.330 38.487 -0.058 0.000 0.993 4181 N HN 0.236 nan 8.380 nan 0.000 0.426 4182 L N 0.724 121.900 121.223 -0.078 0.000 2.109 4182 L HA -0.120 4.209 4.340 -0.019 0.000 0.207 4182 L C 2.423 179.275 176.870 -0.029 0.000 1.086 4182 L CA 0.880 55.695 54.840 -0.043 0.000 0.760 4182 L CB -0.206 41.840 42.059 -0.022 0.000 0.910 4182 L HN 0.069 nan 8.230 nan 0.000 0.437 4183 K N 0.596 120.968 120.400 -0.046 0.000 2.025 4183 K HA -0.196 4.113 4.320 -0.019 0.000 0.207 4183 K C 2.055 178.671 176.600 0.026 0.000 1.049 4183 K CA 1.618 57.916 56.287 0.018 0.000 0.933 4183 K CB -0.233 32.326 32.500 0.099 0.000 0.714 4183 K HN 0.176 nan 8.250 nan 0.000 0.438 4184 Q N -0.548 119.253 119.800 0.000 0.000 2.364 4184 Q HA 0.039 4.368 4.340 -0.019 0.000 0.207 4184 Q C 1.054 177.060 176.000 0.010 0.000 0.970 4184 Q CA 1.333 57.148 55.803 0.021 0.000 0.888 4184 Q CB 0.242 28.991 28.738 0.019 0.000 0.951 4184 Q HN 0.230 nan 8.270 nan 0.000 0.469 4185 S N -0.047 115.651 115.700 -0.003 0.000 2.524 4185 S HA 0.057 4.516 4.470 -0.019 0.000 0.215 4185 S C 0.230 174.829 174.600 -0.003 0.000 0.986 4185 S CA -0.089 58.108 58.200 -0.005 0.000 0.911 4185 S CB 0.302 63.494 63.200 -0.014 0.000 0.805 4185 S HN 0.452 nan 8.310 nan 0.000 0.501 4186 N N 2.034 120.735 118.700 0.003 0.000 2.735 4186 N HA -0.141 4.588 4.740 -0.019 0.000 0.248 4186 N C -1.150 174.356 175.510 -0.006 0.000 1.083 4186 N CA 0.892 53.944 53.050 0.004 0.000 0.703 4186 N CB -1.505 36.985 38.487 0.006 0.000 1.005 4186 N HN 0.260 nan 8.380 nan 0.000 0.550 4187 T N 0.757 115.304 114.554 -0.012 0.000 2.767 4187 T HA 0.441 4.780 4.350 -0.019 0.000 0.288 4187 T C 0.240 174.926 174.700 -0.025 0.000 0.963 4187 T CA -0.666 61.420 62.100 -0.023 0.000 1.019 4187 T CB 1.471 70.320 68.868 -0.032 0.000 0.923 4187 T HN 0.293 nan 8.240 nan 0.000 0.468 4188 L N 4.545 125.750 121.223 -0.031 0.000 2.331 4188 L HA 0.562 4.890 4.340 -0.019 0.000 0.278 4188 L C -0.828 176.001 176.870 -0.068 0.000 1.106 4188 L CA -0.286 54.533 54.840 -0.034 0.000 0.824 4188 L CB 0.406 42.447 42.059 -0.030 0.000 1.142 4188 L HN 0.628 nan 8.230 nan 0.000 0.443 4189 L N 6.809 127.986 121.223 -0.077 0.000 2.319 4189 L HA 0.535 4.864 4.340 -0.019 0.000 0.281 4189 L C -1.011 175.744 176.870 -0.192 0.000 1.005 4189 L CA -0.487 54.247 54.840 -0.177 0.000 0.828 4189 L CB 1.210 43.152 42.059 -0.194 0.000 1.227 4189 L HN 0.670 nan 8.230 nan 0.000 0.415 4190 I N 4.651 125.072 120.570 -0.249 0.000 2.321 4190 I HA 0.265 4.424 4.170 -0.019 0.000 0.291 4190 I C -0.793 175.145 176.117 -0.298 0.000 0.998 4190 I CA -0.277 60.920 61.300 -0.171 0.000 1.227 4190 I CB 1.171 39.115 38.000 -0.093 0.000 1.368 4190 I HN 0.397 nan 8.210 nan 0.000 0.466 4191 F N 6.645 126.580 119.950 -0.026 0.000 2.405 4191 F HA 0.458 4.974 4.527 -0.019 0.000 0.355 4191 F C 0.407 176.206 175.800 -0.002 0.000 1.121 4191 F CA -0.421 57.564 58.000 -0.026 0.000 1.112 4191 F CB 0.947 39.945 39.000 -0.003 0.000 1.126 4191 F HN 0.219 nan 8.300 nan 0.000 0.481 4192 I N 3.616 124.277 120.570 0.152 0.000 2.395 4192 I HA 0.204 4.363 4.170 -0.019 0.000 0.289 4192 I C -0.167 176.044 176.117 0.157 0.000 1.023 4192 I CA -0.089 61.290 61.300 0.132 0.000 1.350 4192 I CB 0.989 39.037 38.000 0.080 0.000 1.409 4192 I HN 0.635 nan 8.210 nan 0.000 0.507 4193 N N 4.370 123.171 118.700 0.168 0.000 2.292 4193 N HA 0.389 5.118 4.740 -0.019 0.000 0.303 4193 N C -1.159 174.435 175.510 0.139 0.000 1.140 4193 N CA -0.690 52.444 53.050 0.140 0.000 0.788 4193 N CB 1.684 40.248 38.487 0.127 0.000 1.361 4193 N HN 0.542 nan 8.380 nan 0.000 0.489 4194 Q N 0.879 120.731 119.800 0.088 0.000 2.180 4194 Q HA 0.492 4.821 4.340 -0.019 0.000 0.241 4194 Q C -0.635 175.391 176.000 0.042 0.000 0.970 4194 Q CA -0.628 55.221 55.803 0.076 0.000 0.919 4194 Q CB 1.967 30.737 28.738 0.053 0.000 1.222 4194 Q HN 0.478 nan 8.270 nan 0.000 0.482 4195 I N 1.357 121.951 120.570 0.041 0.000 2.359 4195 I HA 0.352 4.511 4.170 -0.019 0.000 0.294 4195 I C 0.101 176.213 176.117 -0.008 0.000 0.987 4195 I CA -0.636 60.663 61.300 -0.002 0.000 1.225 4195 I CB 0.801 38.818 38.000 0.029 0.000 1.366 4195 I HN 0.366 nan 8.210 nan 0.000 0.466 4206 P HA 0.227 nan 4.420 nan 0.000 0.249 4206 P C -0.419 176.869 177.300 -0.021 0.000 1.229 4206 P CA 0.358 63.451 63.100 -0.012 0.000 0.788 4206 P CB 0.587 32.282 31.700 -0.008 0.000 1.072 4207 E N 0.427 120.614 120.200 -0.023 0.000 2.366 4207 E HA 0.321 4.660 4.350 -0.019 0.000 0.266 4207 E C -0.047 176.505 176.600 -0.081 0.000 1.051 4207 E CA 0.263 56.639 56.400 -0.041 0.000 0.884 4207 E CB 0.828 30.512 29.700 -0.026 0.000 1.006 4207 E HN 0.160 nan 8.360 nan 0.000 0.417 4208 T N 0.081 114.572 114.554 -0.106 0.000 2.618 4208 T HA 0.449 4.788 4.350 -0.019 0.000 0.293 4208 T C -0.511 174.076 174.700 -0.189 0.000 1.093 4208 T CA -0.772 61.240 62.100 -0.147 0.000 1.061 4208 T CB 1.706 70.517 68.868 -0.095 0.000 1.498 4208 T HN 0.312 nan 8.240 nan 0.000 0.494 4209 T N 1.628 116.076 114.554 -0.176 0.000 2.909 4209 T HA 0.623 4.962 4.350 -0.019 0.000 0.299 4209 T C -0.578 174.066 174.700 -0.093 0.000 1.073 4209 T CA -0.536 61.461 62.100 -0.172 0.000 0.999 4209 T CB 1.554 70.266 68.868 -0.260 0.000 1.098 4209 T HN 0.761 nan 8.240 nan 0.000 0.477 4210 T N 0.982 115.501 114.554 -0.060 0.000 2.868 4210 T HA 0.506 4.844 4.350 -0.019 0.000 0.292 4210 T C 1.231 175.900 174.700 -0.051 0.000 1.028 4210 T CA 0.308 62.382 62.100 -0.042 0.000 1.059 4210 T CB 0.670 69.526 68.868 -0.020 0.000 0.991 4210 T HN 1.168 nan 8.240 nan 0.000 0.531 4211 G N 0.302 109.074 108.800 -0.046 0.000 2.204 4211 G HA2 0.267 4.216 3.960 -0.019 0.000 0.244 4211 G HA3 0.267 4.216 3.960 -0.019 0.000 0.244 4211 G C 0.693 175.560 174.900 -0.055 0.000 1.062 4211 G CA 0.111 45.177 45.100 -0.057 0.000 0.798 4211 G HN 1.854 nan 8.290 nan 0.000 0.496 4212 G N -0.388 108.390 108.800 -0.037 0.000 2.593 4212 G HA2 -0.172 3.777 3.960 -0.019 0.000 0.237 4212 G HA3 -0.172 3.777 3.960 -0.019 0.000 0.237 4212 G C 0.522 175.426 174.900 0.007 0.000 1.312 4212 G CA 0.493 45.584 45.100 -0.015 0.000 0.896 4212 G HN 0.950 nan 8.290 nan 0.000 0.574 4213 N N 0.345 119.080 118.700 0.058 0.000 2.250 4213 N HA 0.238 4.967 4.740 -0.019 0.000 0.190 4213 N C 2.382 178.053 175.510 0.269 0.000 1.116 4213 N CA 1.150 54.287 53.050 0.145 0.000 0.881 4213 N CB 0.300 38.908 38.487 0.202 0.000 1.006 4213 N HN 0.851 nan 8.380 nan 0.000 0.491 4214 A N 1.619 124.554 122.820 0.192 0.000 1.873 4214 A HA -0.155 4.153 4.320 -0.019 0.000 0.218 4214 A C 2.166 179.957 177.584 0.346 0.000 1.193 4214 A CA 1.184 53.385 52.037 0.274 0.000 0.629 4214 A CB -0.748 18.309 19.000 0.095 0.000 0.826 4214 A HN 0.199 nan 8.150 nan 0.000 0.447 4215 L N 0.001 121.296 121.223 0.120 0.000 2.079 4215 L HA -0.172 4.157 4.340 -0.019 0.000 0.210 4215 L C 2.246 179.192 176.870 0.127 0.000 1.081 4215 L CA 2.256 57.135 54.840 0.065 0.000 0.752 4215 L CB -0.570 41.414 42.059 -0.125 0.000 0.896 4215 L HN 0.396 nan 8.230 nan 0.000 0.433 4216 K N -1.231 119.214 120.400 0.076 0.000 2.074 4216 K HA -0.233 4.076 4.320 -0.019 0.000 0.209 4216 K C 2.037 178.590 176.600 -0.078 0.000 1.048 4216 K CA 2.068 58.325 56.287 -0.050 0.000 0.926 4216 K CB -0.459 31.913 32.500 -0.212 0.000 0.713 4216 K HN 0.276 nan 8.250 nan 0.000 0.444 4217 F N -0.688 119.300 119.950 0.064 0.000 2.149 4217 F HA -0.100 4.416 4.527 -0.019 0.000 0.294 4217 F C 2.116 177.890 175.800 -0.044 0.000 1.095 4217 F CA 1.065 59.059 58.000 -0.011 0.000 1.276 4217 F CB -0.381 38.578 39.000 -0.069 0.000 1.023 4217 F HN -0.034 nan 8.300 nan 0.000 0.480 4218 Y N 0.181 120.608 120.300 0.211 0.000 2.373 4218 Y HA 0.174 4.713 4.550 -0.018 0.000 0.293 4218 Y C 1.669 177.631 175.900 0.103 0.000 1.129 4218 Y CA 0.017 58.202 58.100 0.141 0.000 1.226 4218 Y CB -0.792 37.733 38.460 0.109 0.000 1.000 4218 Y HN -0.110 nan 8.280 nan 0.000 0.549 4219 A N -0.021 122.931 122.820 0.220 0.000 2.546 4219 A HA 0.093 4.402 4.320 -0.019 0.000 0.243 4219 A C 1.248 178.878 177.584 0.077 0.000 1.063 4219 A CA 0.579 52.701 52.037 0.142 0.000 0.757 4219 A CB 0.094 19.160 19.000 0.109 0.000 0.991 4219 A HN 0.359 nan 8.150 nan 0.000 0.503 4220 S N 0.595 116.330 115.700 0.059 0.000 2.486 4220 S HA 0.195 4.654 4.470 -0.019 0.000 0.220 4220 S C 0.324 174.903 174.600 -0.036 0.000 1.011 4220 S CA 0.444 58.649 58.200 0.008 0.000 0.921 4220 S CB 0.142 63.350 63.200 0.014 0.000 0.785 4220 S HN 0.563 nan 8.310 nan 0.000 0.517 4221 V N 2.417 122.321 119.914 -0.018 0.000 2.733 4221 V HA 0.458 4.567 4.120 -0.019 0.000 0.306 4221 V C -0.886 175.195 176.094 -0.022 0.000 1.084 4221 V CA -0.837 61.435 62.300 -0.047 0.000 0.905 4221 V CB 2.122 33.918 31.823 -0.046 0.000 1.010 4221 V HN 0.143 nan 8.190 nan 0.000 0.424 4222 R N 4.261 124.731 120.500 -0.050 0.000 2.480 4222 R HA 0.663 4.992 4.340 -0.019 0.000 0.306 4222 R C -1.830 174.406 176.300 -0.107 0.000 0.958 4222 R CA -0.902 55.184 56.100 -0.023 0.000 0.861 4222 R CB 2.231 32.563 30.300 0.053 0.000 1.171 4222 R HN 0.340 nan 8.270 nan 0.000 0.445 4223 L N 2.474 123.598 121.223 -0.163 0.000 2.313 4223 L HA 0.284 4.612 4.340 -0.019 0.000 0.283 4223 L C -0.174 176.383 176.870 -0.522 0.000 1.013 4223 L CA -0.523 54.178 54.840 -0.231 0.000 0.816 4223 L CB 1.393 43.380 42.059 -0.119 0.000 1.236 4223 L HN 0.489 nan 8.230 nan 0.000 0.419 4224 D N 4.371 124.474 120.400 -0.496 0.000 2.443 4224 D HA 0.240 4.869 4.640 -0.019 0.000 0.221 4224 D C -0.573 175.582 176.300 -0.242 0.000 1.097 4224 D CA -0.214 53.428 54.000 -0.597 0.000 0.865 4224 D CB 0.796 41.385 40.800 -0.352 0.000 1.034 4224 D HN 0.451 nan 8.370 nan 0.000 0.511 4225 I N 3.351 123.812 120.570 -0.182 0.000 2.385 4225 I HA 0.465 4.624 4.170 -0.019 0.000 0.294 4225 I C -0.608 175.486 176.117 -0.038 0.000 0.988 4225 I CA -0.614 60.642 61.300 -0.073 0.000 1.265 4225 I CB 0.574 38.566 38.000 -0.014 0.000 1.388 4225 I HN 0.246 nan 8.210 nan 0.000 0.480 4226 R N 5.650 126.119 120.500 -0.051 0.000 2.626 4226 R HA 0.373 4.702 4.340 -0.019 0.000 0.274 4226 R C -1.089 175.179 176.300 -0.053 0.000 1.031 4226 R CA -0.903 55.179 56.100 -0.029 0.000 0.898 4226 R CB 1.983 32.273 30.300 -0.017 0.000 1.222 4226 R HN 0.569 nan 8.270 nan 0.000 0.455 4227 R N 3.976 124.464 120.500 -0.020 0.000 2.298 4227 R HA 0.177 4.505 4.340 -0.019 0.000 0.310 4227 R C 0.683 176.968 176.300 -0.025 0.000 1.068 4227 R CA 0.131 56.218 56.100 -0.022 0.000 0.957 4227 R CB 0.460 30.772 30.300 0.020 0.000 1.003 4227 R HN 0.773 nan 8.270 nan 0.000 0.454 4228 I N 0.465 121.008 120.570 -0.045 0.000 4.181 4228 I HA 0.485 4.644 4.170 -0.019 0.000 0.331 4228 I C 0.454 176.556 176.117 -0.025 0.000 1.312 4228 I CA -0.198 61.080 61.300 -0.036 0.000 1.146 4228 I CB 1.042 39.010 38.000 -0.053 0.000 1.074 4228 I HN 0.628 nan 8.210 nan 0.000 0.402 4229 G N 1.047 109.833 108.800 -0.022 0.000 2.441 4229 G HA2 0.659 4.608 3.960 -0.019 0.000 0.294 4229 G HA3 0.659 4.608 3.960 -0.019 0.000 0.294 4229 G C -1.977 172.919 174.900 -0.006 0.000 1.393 4229 G CA -0.235 44.858 45.100 -0.012 0.000 0.796 4229 G HN 0.299 nan 8.290 nan 0.000 0.494 4230 A N -0.556 122.264 122.820 0.001 0.000 2.317 4230 A HA 0.729 5.038 4.320 -0.019 0.000 0.327 4230 A C -0.258 177.314 177.584 -0.020 0.000 1.178 4230 A CA -0.533 51.508 52.037 0.005 0.000 0.817 4230 A CB 1.557 20.575 19.000 0.031 0.000 1.189 4230 A HN 1.343 nan 8.150 nan 0.000 0.489 4231 V N 3.728 123.610 119.914 -0.053 0.000 2.368 4231 V HA 0.201 4.309 4.120 -0.019 0.000 0.266 4231 V C 0.353 176.423 176.094 -0.039 0.000 1.045 4231 V CA -0.021 62.243 62.300 -0.060 0.000 0.899 4231 V CB 0.375 32.136 31.823 -0.103 0.000 1.006 4231 V HN 0.847 nan 8.190 nan 0.000 0.470 4232 K N 3.337 123.727 120.400 -0.017 0.000 2.156 4232 K HA 0.479 4.788 4.320 -0.019 0.000 0.254 4232 K C -0.127 176.472 176.600 -0.002 0.000 0.950 4232 K CA -0.707 55.579 56.287 -0.001 0.000 0.849 4232 K CB 1.717 34.221 32.500 0.006 0.000 1.100 4232 K HN 0.478 nan 8.250 nan 0.000 0.434 4233 E N 1.848 122.052 120.200 0.007 0.000 3.312 4233 E HA 0.124 4.463 4.350 -0.019 0.000 0.215 4233 E C 0.552 177.158 176.600 0.009 0.000 1.160 4233 E CA -0.141 56.263 56.400 0.007 0.000 1.267 4233 E CB 0.731 30.439 29.700 0.013 0.000 1.361 4233 E HN 1.008 nan 8.360 nan 0.000 0.433 4234 G N 2.588 111.391 108.800 0.006 0.000 4.230 4234 G HA2 -0.432 3.517 3.960 -0.019 0.000 0.340 4234 G HA3 -0.432 3.517 3.960 -0.019 0.000 0.340 4234 G C 1.167 176.073 174.900 0.011 0.000 1.315 4234 G CA 0.714 45.818 45.100 0.006 0.000 1.033 4234 G HN 0.451 nan 8.290 nan 0.000 0.741 4235 E N 1.892 122.099 120.200 0.013 0.000 2.021 4235 E HA -0.001 4.338 4.350 -0.019 0.000 0.189 4235 E C 1.191 177.805 176.600 0.023 0.000 0.980 4235 E CA 0.911 57.321 56.400 0.016 0.000 0.803 4235 E CB -0.375 29.334 29.700 0.016 0.000 0.766 4235 E HN 0.689 nan 8.360 nan 0.000 0.449 4236 N N 0.344 119.060 118.700 0.028 0.000 2.525 4236 N HA 0.112 4.841 4.740 -0.019 0.000 0.271 4236 N C -0.778 174.763 175.510 0.051 0.000 1.194 4236 N CA -0.145 52.930 53.050 0.041 0.000 0.964 4236 N CB 1.536 40.050 38.487 0.045 0.000 1.126 4236 N HN -0.199 nan 8.380 nan 0.000 0.452 4237 V N 2.194 122.156 119.914 0.080 0.000 2.320 4237 V HA 0.094 4.202 4.120 -0.019 0.000 0.265 4237 V C 0.594 176.792 176.094 0.173 0.000 1.048 4237 V CA -0.258 62.109 62.300 0.111 0.000 0.865 4237 V CB 1.037 32.946 31.823 0.143 0.000 1.043 4237 V HN 0.569 nan 8.190 nan 0.000 0.474 4238 V N 4.434 124.382 119.914 0.056 0.000 3.621 4238 V HA 0.630 4.739 4.120 -0.019 0.000 0.285 4238 V C 0.847 176.743 176.094 -0.330 0.000 1.346 4238 V CA 1.228 63.540 62.300 0.021 0.000 1.104 4238 V CB 0.244 32.073 31.823 0.010 0.000 0.913 4238 V HN 0.903 nan 8.190 nan 0.000 0.432 4239 G N -1.162 107.283 108.800 -0.591 0.000 2.506 4239 G HA2 0.460 4.409 3.960 -0.019 0.000 0.292 4239 G HA3 0.460 4.409 3.960 -0.019 0.000 0.292 4239 G C -1.443 173.101 174.900 -0.594 0.000 1.425 4239 G CA -0.289 44.177 45.100 -1.056 0.000 0.788 4239 G HN -0.004 nan 8.290 nan 0.000 0.490 4240 S N -0.063 115.390 115.700 -0.412 0.000 2.437 4240 S HA 0.493 4.952 4.470 -0.019 0.000 0.305 4240 S C -0.323 174.229 174.600 -0.080 0.000 1.109 4240 S CA -0.420 57.732 58.200 -0.081 0.000 1.099 4240 S CB 1.660 64.911 63.200 0.086 0.000 1.004 4240 S HN 0.588 nan 8.310 nan 0.000 0.475 4241 E N 2.225 122.382 120.200 -0.070 0.000 2.324 4241 E HA 0.311 4.650 4.350 -0.019 0.000 0.271 4241 E C -0.604 175.910 176.600 -0.143 0.000 1.028 4241 E CA 0.342 56.686 56.400 -0.092 0.000 0.890 4241 E CB 0.531 30.191 29.700 -0.067 0.000 1.004 4241 E HN 0.450 nan 8.360 nan 0.000 0.431 4242 T N 4.991 119.378 114.554 -0.279 0.000 2.876 4242 T HA 0.497 4.836 4.350 -0.019 0.000 0.289 4242 T C -0.746 173.623 174.700 -0.553 0.000 1.014 4242 T CA -0.756 61.085 62.100 -0.432 0.000 0.986 4242 T CB 1.246 69.748 68.868 -0.609 0.000 1.021 4242 T HN 0.321 nan 8.240 nan 0.000 0.458 4243 R N 2.143 122.422 120.500 -0.369 0.000 2.513 4243 R HA 0.678 5.007 4.340 -0.019 0.000 0.301 4243 R C -1.809 174.376 176.300 -0.191 0.000 0.968 4243 R CA -0.514 55.425 56.100 -0.269 0.000 0.872 4243 R CB 1.336 31.552 30.300 -0.139 0.000 1.177 4243 R HN 0.451 nan 8.270 nan 0.000 0.444 4244 V N 4.750 124.589 119.914 -0.125 0.000 2.448 4244 V HA 0.392 4.501 4.120 -0.019 0.000 0.295 4244 V C -0.216 175.866 176.094 -0.019 0.000 1.025 4244 V CA -0.811 61.467 62.300 -0.038 0.000 0.859 4244 V CB 1.755 33.623 31.823 0.076 0.000 0.988 4244 V HN 0.663 nan 8.190 nan 0.000 0.431 4245 K N 2.932 123.310 120.400 -0.037 0.000 2.159 4245 K HA 0.586 4.894 4.320 -0.019 0.000 0.266 4245 K C -0.879 175.694 176.600 -0.044 0.000 0.975 4245 K CA -0.684 55.597 56.287 -0.009 0.000 0.865 4245 K CB 2.206 34.721 32.500 0.026 0.000 1.087 4245 K HN 0.461 nan 8.250 nan 0.000 0.446 4246 V N 4.644 124.534 119.914 -0.040 0.000 2.338 4246 V HA -0.003 4.106 4.120 -0.019 0.000 0.255 4246 V C 1.116 177.094 176.094 -0.193 0.000 1.082 4246 V CA -0.060 62.172 62.300 -0.113 0.000 0.951 4246 V CB 0.716 32.467 31.823 -0.121 0.000 1.102 4246 V HN 0.668 nan 8.190 nan 0.000 0.489 4247 V N 3.698 123.516 119.914 -0.160 0.000 2.535 4247 V HA 0.069 4.178 4.120 -0.019 0.000 0.246 4247 V C 0.983 176.879 176.094 -0.329 0.000 1.045 4247 V CA 1.329 63.553 62.300 -0.127 0.000 1.058 4247 V CB -0.072 31.784 31.823 0.055 0.000 0.689 4247 V HN 0.780 nan 8.190 nan 0.000 0.461 4248 K N 0.794 121.035 120.400 -0.266 0.000 2.422 4248 K HA 0.409 4.718 4.320 -0.019 0.000 0.251 4248 K C -1.525 174.912 176.600 -0.272 0.000 0.933 4248 K CA -0.587 55.528 56.287 -0.287 0.000 0.798 4248 K CB 1.742 34.152 32.500 -0.150 0.000 1.238 4248 K HN 0.140 nan 8.250 nan 0.000 0.428 4249 N N 2.966 121.475 118.700 -0.318 0.000 2.519 4249 N HA 0.216 4.945 4.740 -0.019 0.000 0.291 4249 N C -0.937 174.405 175.510 -0.279 0.000 1.107 4249 N CA -0.372 52.514 53.050 -0.274 0.000 0.904 4249 N CB 1.706 40.009 38.487 -0.307 0.000 1.500 4249 N HN 0.634 nan 8.380 nan 0.000 0.510 4250 K N 2.391 122.666 120.400 -0.208 0.000 2.358 4250 K HA 0.296 4.605 4.320 -0.019 0.000 0.197 4250 K C 0.633 177.091 176.600 -0.238 0.000 1.025 4250 K CA 0.164 56.323 56.287 -0.213 0.000 1.104 4250 K CB 0.533 32.963 32.500 -0.116 0.000 0.855 4250 K HN 0.394 nan 8.250 nan 0.000 0.531 4251 I N -0.392 120.050 120.570 -0.213 0.000 4.312 4251 I HA 0.203 4.361 4.170 -0.019 0.000 0.324 4251 I C -0.094 175.925 176.117 -0.163 0.000 1.298 4251 I CA -0.093 61.113 61.300 -0.157 0.000 1.231 4251 I CB 1.233 39.176 38.000 -0.095 0.000 1.152 4251 I HN -0.054 nan 8.210 nan 0.000 0.421 4252 A N -0.303 122.393 122.820 -0.206 0.000 2.536 4252 A HA 0.836 5.145 4.320 -0.019 0.000 0.293 4252 A C -0.895 176.539 177.584 -0.250 0.000 1.119 4252 A CA -0.214 51.721 52.037 -0.171 0.000 0.654 4252 A CB -0.037 18.904 19.000 -0.099 0.000 1.291 4252 A HN 0.070 nan 8.150 nan 0.000 0.439 4253 A N 1.364 124.071 122.820 -0.189 0.000 2.540 4253 A HA 0.543 4.852 4.320 -0.019 0.000 0.239 4253 A C -1.970 175.433 177.584 -0.302 0.000 1.061 4253 A CA -0.207 51.662 52.037 -0.279 0.000 0.758 4253 A CB -0.761 18.220 19.000 -0.032 0.000 0.991 4253 A HN 0.548 nan 8.150 nan 0.000 0.502 4254 P HA 0.544 nan 4.420 nan 0.000 0.284 4254 P C -0.205 176.944 177.300 -0.252 0.000 1.292 4254 P CA -0.333 62.450 63.100 -0.529 0.000 0.800 4254 P CB 0.211 31.325 31.700 -0.976 0.000 1.188 4255 F N -4.460 115.465 119.950 -0.042 0.000 2.795 4255 F HA -0.195 4.321 4.527 -0.020 0.000 0.297 4255 F C 0.632 176.437 175.800 0.009 0.000 0.699 4255 F CA 0.683 58.683 58.000 0.001 0.000 1.384 4255 F CB -2.405 36.619 39.000 0.039 0.000 1.672 4255 F HN 0.225 nan 8.300 nan 0.000 0.345 4256 K N 1.172 121.633 120.400 0.103 0.000 2.098 4256 K HA 0.557 4.866 4.320 -0.019 0.000 0.257 4256 K C 0.417 177.051 176.600 0.057 0.000 0.999 4256 K CA -0.446 55.887 56.287 0.076 0.000 0.924 4256 K CB 1.028 33.553 32.500 0.041 0.000 1.028 4256 K HN 0.418 nan 8.250 nan 0.000 0.466 4257 Q N -0.334 119.497 119.800 0.052 0.000 2.456 4257 Q HA 0.744 5.073 4.340 -0.019 0.000 0.283 4257 Q C -1.722 174.303 176.000 0.043 0.000 1.084 4257 Q CA -1.318 54.509 55.803 0.040 0.000 0.801 4257 Q CB 2.098 30.857 28.738 0.034 0.000 1.434 4257 Q HN 0.524 nan 8.270 nan 0.000 0.419 4258 A N 1.402 124.253 122.820 0.052 0.000 2.356 4258 A HA 0.573 4.882 4.320 -0.019 0.000 0.310 4258 A C -1.199 176.409 177.584 0.041 0.000 1.075 4258 A CA -0.677 51.419 52.037 0.098 0.000 0.746 4258 A CB 1.472 20.589 19.000 0.194 0.000 1.221 4258 A HN 0.718 nan 8.150 nan 0.000 0.443 4259 E N 1.245 121.463 120.200 0.029 0.000 2.171 4259 E HA 0.667 5.006 4.350 -0.019 0.000 0.271 4259 E C -1.228 175.382 176.600 0.017 0.000 0.916 4259 E CA -0.331 56.010 56.400 -0.099 0.000 0.774 4259 E CB 1.893 31.552 29.700 -0.069 0.000 1.128 4259 E HN 0.616 nan 8.360 nan 0.000 0.403 4260 F N -1.105 118.831 119.950 -0.022 0.000 2.923 4260 F HA 0.436 4.951 4.527 -0.019 0.000 0.323 4260 F C -1.169 174.615 175.800 -0.026 0.000 1.189 4260 F CA -1.244 56.738 58.000 -0.030 0.000 0.930 4260 F CB 0.999 39.981 39.000 -0.031 0.000 1.414 4260 F HN 0.133 nan 8.300 nan 0.000 0.496 4261 Q N 1.290 121.267 119.800 0.296 0.000 2.282 4261 Q HA 0.623 4.952 4.340 -0.019 0.000 0.260 4261 Q C -1.180 174.963 176.000 0.238 0.000 0.964 4261 Q CA -0.713 55.177 55.803 0.146 0.000 0.880 4261 Q CB 2.929 31.699 28.738 0.053 0.000 1.286 4261 Q HN 0.569 nan 8.270 nan 0.000 0.445 4262 I N 3.959 124.609 120.570 0.134 0.000 2.306 4262 I HA 0.213 4.372 4.170 -0.019 0.000 0.288 4262 I C -0.550 175.525 176.117 -0.069 0.000 1.036 4262 I CA -0.434 60.938 61.300 0.121 0.000 1.221 4262 I CB 0.558 38.673 38.000 0.192 0.000 1.385 4262 I HN 0.382 nan 8.210 nan 0.000 0.472 4263 L N 7.093 128.294 121.223 -0.037 0.000 2.281 4263 L HA 0.292 4.621 4.340 -0.019 0.000 0.285 4263 L C -0.493 176.389 176.870 0.019 0.000 1.074 4263 L CA -0.799 53.973 54.840 -0.114 0.000 0.817 4263 L CB 0.090 42.130 42.059 -0.032 0.000 1.168 4263 L HN 0.377 nan 8.230 nan 0.000 0.434 4264 Y N 2.141 122.513 120.300 0.121 0.000 2.717 4264 Y HA 0.175 4.714 4.550 -0.018 0.000 0.330 4264 Y C 1.513 177.527 175.900 0.191 0.000 1.217 4264 Y CA 0.450 58.656 58.100 0.176 0.000 1.506 4264 Y CB -0.065 38.464 38.460 0.115 0.000 1.268 4264 Y HN 0.859 nan 8.280 nan 0.000 0.561 4265 G N 1.816 110.916 108.800 0.499 0.000 2.184 4265 G HA2 -0.369 3.580 3.960 -0.019 0.000 0.264 4265 G HA3 -0.369 3.580 3.960 -0.019 0.000 0.264 4265 G C 0.932 175.862 174.900 0.049 0.000 0.975 4265 G CA 0.763 46.030 45.100 0.279 0.000 0.642 4265 G HN 0.654 nan 8.290 nan 0.000 0.536 4266 E N -1.115 119.115 120.200 0.050 0.000 2.357 4266 E HA 0.464 4.803 4.350 -0.019 0.000 0.202 4266 E C 1.378 177.954 176.600 -0.039 0.000 0.855 4266 E CA 1.308 57.705 56.400 -0.004 0.000 1.048 4266 E CB 0.623 30.340 29.700 0.028 0.000 1.037 4266 E HN 1.655 nan 8.360 nan 0.000 0.499 4267 G N 0.657 109.461 108.800 0.006 0.000 2.342 4267 G HA2 -0.134 3.815 3.960 -0.019 0.000 0.220 4267 G HA3 -0.134 3.815 3.960 -0.019 0.000 0.220 4267 G C -0.789 174.132 174.900 0.035 0.000 1.243 4267 G CA -0.449 44.652 45.100 0.002 0.000 1.083 4267 G HN 0.157 nan 8.290 nan 0.000 0.500 4268 I N 1.710 122.282 120.570 0.003 0.000 2.664 4268 I HA 0.010 4.169 4.170 -0.019 0.000 0.284 4268 I C 0.827 176.955 176.117 0.018 0.000 1.154 4268 I CA -0.176 61.117 61.300 -0.012 0.000 1.402 4268 I CB 0.481 38.351 38.000 -0.216 0.000 1.395 4268 I HN 0.462 nan 8.210 nan 0.000 0.545 4269 N N 6.797 125.537 118.700 0.066 0.000 2.416 4269 N HA -0.120 4.609 4.740 -0.019 0.000 0.291 4269 N C 0.545 176.080 175.510 0.042 0.000 1.257 4269 N CA 0.428 53.520 53.050 0.068 0.000 1.043 4269 N CB -0.063 38.463 38.487 0.065 0.000 1.441 4269 N HN 0.502 nan 8.380 nan 0.000 0.490 4270 F N 3.644 123.501 119.950 -0.155 0.000 2.128 4270 F HA -0.092 4.424 4.527 -0.019 0.000 0.295 4270 F C 0.932 176.583 175.800 -0.249 0.000 1.100 4270 F CA 1.334 59.169 58.000 -0.275 0.000 1.260 4270 F CB -0.123 38.605 39.000 -0.453 0.000 1.009 4270 F HN 0.422 nan 8.300 nan 0.000 0.476 4271 Y N 0.432 120.774 120.300 0.070 0.000 2.373 4271 Y HA 0.045 4.584 4.550 -0.019 0.000 0.293 4271 Y C 2.652 178.490 175.900 -0.103 0.000 1.129 4271 Y CA 0.861 58.945 58.100 -0.028 0.000 1.226 4271 Y CB -1.335 37.159 38.460 0.057 0.000 1.000 4271 Y HN 0.131 nan 8.280 nan 0.000 0.549 4272 G N 0.072 108.903 108.800 0.053 0.000 2.459 4272 G HA2 -0.276 3.673 3.960 -0.019 0.000 0.217 4272 G HA3 -0.276 3.673 3.960 -0.019 0.000 0.217 4272 G C 1.512 176.375 174.900 -0.062 0.000 1.183 4272 G CA 1.194 46.289 45.100 -0.008 0.000 0.776 4272 G HN 0.407 nan 8.290 nan 0.000 0.552 4273 E N -0.331 119.795 120.200 -0.124 0.000 2.058 4273 E HA -0.138 4.201 4.350 -0.019 0.000 0.194 4273 E C 2.422 178.903 176.600 -0.198 0.000 0.997 4273 E CA 0.896 57.197 56.400 -0.165 0.000 0.801 4273 E CB -0.243 29.293 29.700 -0.273 0.000 0.746 4273 E HN 0.296 nan 8.360 nan 0.000 0.450 4274 L N 0.732 121.777 121.223 -0.298 0.000 2.042 4274 L HA -0.193 4.136 4.340 -0.019 0.000 0.210 4274 L C 2.232 179.051 176.870 -0.085 0.000 1.076 4274 L CA 1.391 56.099 54.840 -0.219 0.000 0.749 4274 L CB -0.410 41.534 42.059 -0.192 0.000 0.893 4274 L HN -0.017 nan 8.230 nan 0.000 0.432 4275 V N -0.271 119.606 119.914 -0.062 0.000 2.233 4275 V HA -0.329 3.780 4.120 -0.019 0.000 0.247 4275 V C 2.300 178.393 176.094 -0.001 0.000 1.050 4275 V CA 2.100 64.369 62.300 -0.052 0.000 1.010 4275 V CB -0.774 30.960 31.823 -0.148 0.000 0.637 4275 V HN 0.431 nan 8.190 nan 0.000 0.444 4276 D N -0.134 120.261 120.400 -0.009 0.000 2.123 4276 D HA -0.127 4.502 4.640 -0.019 0.000 0.196 4276 D C 2.072 178.386 176.300 0.023 0.000 0.992 4276 D CA 0.990 55.006 54.000 0.027 0.000 0.833 4276 D CB -0.282 40.527 40.800 0.015 0.000 0.954 4276 D HN 0.173 nan 8.370 nan 0.000 0.455 4277 L N 0.536 121.753 121.223 -0.010 0.000 2.093 4277 L HA -0.013 4.316 4.340 -0.019 0.000 0.208 4277 L C 2.459 179.337 176.870 0.014 0.000 1.085 4277 L CA 1.465 56.300 54.840 -0.008 0.000 0.755 4277 L CB -1.563 40.468 42.059 -0.046 0.000 0.904 4277 L HN 0.073 nan 8.230 nan 0.000 0.435 4278 G N -0.924 107.886 108.800 0.017 0.000 2.404 4278 G HA2 -0.168 3.781 3.960 -0.019 0.000 0.215 4278 G HA3 -0.168 3.781 3.960 -0.019 0.000 0.215 4278 G C 1.763 176.712 174.900 0.081 0.000 1.174 4278 G CA 0.870 45.999 45.100 0.047 0.000 0.780 4278 G HN 0.237 nan 8.290 nan 0.000 0.537 4279 V N 0.791 120.763 119.914 0.098 0.000 2.343 4279 V HA -0.147 3.962 4.120 -0.019 0.000 0.247 4279 V C 2.709 178.847 176.094 0.074 0.000 1.051 4279 V CA 2.202 64.570 62.300 0.114 0.000 1.036 4279 V CB -0.341 31.581 31.823 0.166 0.000 0.654 4279 V HN 0.395 nan 8.190 nan 0.000 0.451 4280 K N -0.174 120.262 120.400 0.059 0.000 2.097 4280 K HA -0.184 4.125 4.320 -0.019 0.000 0.206 4280 K C 1.686 178.311 176.600 0.041 0.000 1.049 4280 K CA 1.351 57.664 56.287 0.043 0.000 0.933 4280 K CB 0.008 32.529 32.500 0.035 0.000 0.717 4280 K HN 0.358 nan 8.250 nan 0.000 0.442 4281 E N 0.814 121.041 120.200 0.045 0.000 2.437 4281 E HA -0.007 4.331 4.350 -0.019 0.000 0.189 4281 E C -0.259 176.373 176.600 0.054 0.000 1.054 4281 E CA 0.119 56.546 56.400 0.045 0.000 0.874 4281 E CB 0.492 30.218 29.700 0.044 0.000 1.011 4281 E HN 0.180 nan 8.360 nan 0.000 0.474 4282 K N -0.106 120.329 120.400 0.058 0.000 3.088 4282 K HA -0.202 4.107 4.320 -0.019 0.000 0.273 4282 K C 0.938 177.588 176.600 0.083 0.000 1.111 4282 K CA 0.462 56.785 56.287 0.060 0.000 0.803 4282 K CB -2.188 30.337 32.500 0.042 0.000 1.226 4282 K HN 0.273 nan 8.250 nan 0.000 0.485 4283 L N -0.487 120.804 121.223 0.113 0.000 2.249 4283 L HA 0.200 4.529 4.340 -0.019 0.000 0.207 4283 L C 1.187 178.217 176.870 0.266 0.000 1.090 4283 L CA 0.571 55.519 54.840 0.180 0.000 0.802 4283 L CB 0.126 42.293 42.059 0.179 0.000 0.947 4283 L HN 0.119 nan 8.230 nan 0.000 0.453 4284 I N -0.205 120.488 120.570 0.205 0.000 2.404 4284 I HA 0.201 4.360 4.170 -0.019 0.000 0.293 4284 I C -0.187 176.024 176.117 0.157 0.000 0.992 4284 I CA -0.612 60.826 61.300 0.230 0.000 1.149 4284 I CB 2.132 40.257 38.000 0.208 0.000 1.315 4284 I HN -0.104 nan 8.210 nan 0.000 0.446 4285 E N 5.648 125.925 120.200 0.128 0.000 2.331 4285 E HA 0.230 4.569 4.350 -0.019 0.000 0.272 4285 E C -0.691 175.915 176.600 0.010 0.000 1.036 4285 E CA -0.208 56.225 56.400 0.055 0.000 0.864 4285 E CB 0.933 30.650 29.700 0.028 0.000 1.035 4285 E HN 0.293 nan 8.360 nan 0.000 0.408 4286 K N 2.659 123.017 120.400 -0.070 0.000 2.616 4286 K HA 0.493 4.802 4.320 -0.019 0.000 0.241 4286 K C -1.617 174.894 176.600 -0.149 0.000 0.961 4286 K CA -0.616 55.528 56.287 -0.238 0.000 0.942 4286 K CB 1.074 33.379 32.500 -0.325 0.000 1.153 4286 K HN 0.505 nan 8.250 nan 0.000 0.452 4287 A N 3.439 126.203 122.820 -0.094 0.000 2.880 4287 A HA 0.549 4.858 4.320 -0.019 0.000 0.328 4287 A C 0.876 178.459 177.584 -0.002 0.000 1.440 4287 A CA 0.396 52.419 52.037 -0.024 0.000 1.068 4287 A CB -0.229 18.781 19.000 0.016 0.000 1.163 4287 A HN 1.046 nan 8.150 nan 0.000 0.510 4288 G N 1.590 110.358 108.800 -0.053 0.000 3.274 4288 G HA2 -0.122 3.827 3.960 -0.019 0.000 0.313 4288 G HA3 -0.122 3.827 3.960 -0.019 0.000 0.313 4288 G C 1.324 176.156 174.900 -0.115 0.000 1.295 4288 G CA 0.855 45.926 45.100 -0.048 0.000 1.004 4288 G HN 1.915 nan 8.290 nan 0.000 0.614 4289 A N -0.863 121.900 122.820 -0.097 0.000 2.343 4289 A HA 0.527 4.835 4.320 -0.019 0.000 0.223 4289 A C 0.568 177.990 177.584 -0.269 0.000 1.214 4289 A CA 0.440 52.366 52.037 -0.185 0.000 0.900 4289 A CB 0.090 18.981 19.000 -0.181 0.000 0.942 4289 A HN 0.572 nan 8.150 nan 0.000 0.507 4290 W N 0.046 121.252 121.300 -0.157 0.000 2.358 4290 W HA 0.496 5.145 4.660 -0.019 0.000 0.307 4290 W C -0.834 175.564 176.519 -0.202 0.000 1.203 4290 W CA -0.088 57.196 57.345 -0.103 0.000 1.279 4290 W CB 0.316 29.735 29.460 -0.069 0.000 1.264 4290 W HN 0.237 nan 8.180 nan 0.000 0.474 4291 Y N 2.938 123.357 120.300 0.199 0.000 2.341 4291 Y HA 0.372 4.911 4.550 -0.019 0.000 0.340 4291 Y C 0.554 176.506 175.900 0.086 0.000 0.997 4291 Y CA -0.235 57.923 58.100 0.098 0.000 1.149 4291 Y CB 1.020 39.489 38.460 0.015 0.000 1.171 4291 Y HN 0.144 nan 8.280 nan 0.000 0.494 4292 S N 2.879 118.677 115.700 0.164 0.000 2.532 4292 S HA 0.440 4.899 4.470 -0.019 0.000 0.301 4292 S C -1.802 172.861 174.600 0.105 0.000 1.083 4292 S CA -0.798 57.443 58.200 0.069 0.000 1.025 4292 S CB 1.345 64.554 63.200 0.014 0.000 1.056 4292 S HN 0.501 nan 8.310 nan 0.000 0.494 4293 Y N 2.454 122.681 120.300 -0.121 0.000 2.326 4293 Y HA 0.360 4.898 4.550 -0.019 0.000 0.329 4293 Y C -0.085 175.786 175.900 -0.048 0.000 0.973 4293 Y CA -1.087 56.967 58.100 -0.077 0.000 1.162 4293 Y CB 0.490 38.886 38.460 -0.107 0.000 1.147 4293 Y HN 0.807 nan 8.280 nan 0.000 0.456 4294 K N 5.027 125.136 120.400 -0.486 0.000 3.278 4294 K HA -0.262 4.047 4.320 -0.019 0.000 0.270 4294 K C 0.982 177.458 176.600 -0.205 0.000 0.955 4294 K CA 0.978 57.018 56.287 -0.412 0.000 0.723 4294 K CB -1.633 30.510 32.500 -0.596 0.000 1.382 4294 K HN 1.328 nan 8.250 nan 0.000 0.461 4295 G N 0.221 108.940 108.800 -0.135 0.000 2.417 4295 G HA2 -0.397 3.552 3.960 -0.019 0.000 0.233 4295 G HA3 -0.397 3.552 3.960 -0.019 0.000 0.233 4295 G C 0.004 174.849 174.900 -0.091 0.000 1.103 4295 G CA 0.504 45.546 45.100 -0.098 0.000 0.647 4295 G HN 0.548 nan 8.290 nan 0.000 0.512 4296 E N 1.923 122.071 120.200 -0.087 0.000 2.344 4296 E HA 0.338 4.677 4.350 -0.019 0.000 0.270 4296 E C 0.113 176.647 176.600 -0.110 0.000 1.021 4296 E CA -0.347 56.008 56.400 -0.076 0.000 0.887 4296 E CB 0.243 29.927 29.700 -0.027 0.000 0.997 4296 E HN 0.382 nan 8.360 nan 0.000 0.429 4297 K N 4.964 125.297 120.400 -0.112 0.000 2.322 4297 K HA 0.149 4.458 4.320 -0.019 0.000 0.283 4297 K C 0.947 177.455 176.600 -0.153 0.000 1.042 4297 K CA -0.026 56.217 56.287 -0.074 0.000 0.958 4297 K CB 0.787 33.217 32.500 -0.117 0.000 0.984 4297 K HN 0.567 nan 8.250 nan 0.000 0.473 4298 I N -1.845 118.581 120.570 -0.240 0.000 4.181 4298 I HA 0.308 4.466 4.170 -0.019 0.000 0.331 4298 I C 0.560 176.518 176.117 -0.264 0.000 1.312 4298 I CA -0.314 60.544 61.300 -0.737 0.000 1.146 4298 I CB 0.962 38.155 38.000 -1.343 0.000 1.074 4298 I HN 0.596 nan 8.210 nan 0.000 0.402 4299 G N 1.142 109.981 108.800 0.065 0.000 2.340 4299 G HA2 0.212 4.161 3.960 -0.019 0.000 0.298 4299 G HA3 0.212 4.161 3.960 -0.019 0.000 0.298 4299 G C -2.152 172.693 174.900 -0.092 0.000 1.498 4299 G CA -0.695 44.430 45.100 0.041 0.000 0.847 4299 G HN 0.193 nan 8.290 nan 0.000 0.594 4300 Q N 0.165 119.708 119.800 -0.429 0.000 2.325 4300 Q HA 0.558 4.887 4.340 -0.019 0.000 0.262 4300 Q C 0.351 176.201 176.000 -0.250 0.000 0.968 4300 Q CA 0.415 55.809 55.803 -0.682 0.000 0.877 4300 Q CB 1.284 29.294 28.738 -1.213 0.000 1.253 4300 Q HN 2.410 nan 8.270 nan 0.000 0.448 4301 G N 3.001 111.784 108.800 -0.029 0.000 2.767 4301 G HA2 -0.261 3.688 3.960 -0.019 0.000 0.686 4301 G HA3 -0.261 3.688 3.960 -0.019 0.000 0.686 4301 G C 0.090 175.000 174.900 0.018 0.000 1.213 4301 G CA 0.023 45.168 45.100 0.074 0.000 0.803 4301 G HN 0.816 nan 8.290 nan 0.000 0.603 4302 K N 1.171 121.577 120.400 0.010 0.000 2.127 4302 K HA -0.106 4.203 4.320 -0.019 0.000 0.208 4302 K C 2.942 179.419 176.600 -0.204 0.000 1.047 4302 K CA 2.609 58.733 56.287 -0.272 0.000 0.927 4302 K CB -0.329 32.116 32.500 -0.091 0.000 0.716 4302 K HN 1.179 nan 8.250 nan 0.000 0.450 4303 A N 1.200 123.960 122.820 -0.100 0.000 1.873 4303 A HA -0.268 4.041 4.320 -0.019 0.000 0.218 4303 A C 1.782 179.325 177.584 -0.068 0.000 1.193 4303 A CA 2.255 54.252 52.037 -0.067 0.000 0.629 4303 A CB -0.896 18.078 19.000 -0.043 0.000 0.826 4303 A HN 0.561 nan 8.150 nan 0.000 0.447 4304 N N -0.355 118.298 118.700 -0.079 0.000 2.216 4304 N HA 0.056 4.785 4.740 -0.019 0.000 0.183 4304 N C 1.917 177.411 175.510 -0.027 0.000 1.017 4304 N CA 1.034 54.058 53.050 -0.044 0.000 0.861 4304 N CB -0.259 38.195 38.487 -0.054 0.000 0.986 4304 N HN 0.488 nan 8.380 nan 0.000 0.428 4305 A N 0.411 123.147 122.820 -0.139 0.000 1.940 4305 A HA -0.157 4.152 4.320 -0.019 0.000 0.219 4305 A C 2.215 179.770 177.584 -0.049 0.000 1.176 4305 A CA 1.797 53.738 52.037 -0.160 0.000 0.631 4305 A CB -1.054 17.607 19.000 -0.566 0.000 0.814 4305 A HN 0.234 nan 8.150 nan 0.000 0.446 4306 T N 0.352 114.853 114.554 -0.089 0.000 2.708 4306 T HA -0.043 4.296 4.350 -0.019 0.000 0.266 4306 T C 2.205 176.890 174.700 -0.026 0.000 1.037 4306 T CA 1.633 63.721 62.100 -0.020 0.000 1.146 4306 T CB -0.459 68.404 68.868 -0.007 0.000 0.865 4306 T HN 0.609 nan 8.240 nan 0.000 0.435 4307 A N 0.128 122.942 122.820 -0.011 0.000 1.972 4307 A HA -0.084 4.224 4.320 -0.019 0.000 0.219 4307 A C 2.034 179.602 177.584 -0.026 0.000 1.169 4307 A CA 1.295 53.317 52.037 -0.026 0.000 0.635 4307 A CB -1.056 17.946 19.000 0.003 0.000 0.810 4307 A HN 0.703 nan 8.150 nan 0.000 0.446 4308 W N 0.426 121.651 121.300 -0.125 0.000 2.388 4308 W HA -0.093 4.555 4.660 -0.019 0.000 0.294 4308 W C 1.710 178.128 176.519 -0.169 0.000 1.212 4308 W CA 1.723 59.004 57.345 -0.106 0.000 1.271 4308 W CB -0.159 29.269 29.460 -0.054 0.000 1.126 4308 W HN 0.251 nan 8.180 nan 0.000 0.535 4309 L N 0.438 121.636 121.223 -0.042 0.000 2.156 4309 L HA -0.174 4.155 4.340 -0.019 0.000 0.208 4309 L C 2.462 178.887 176.870 -0.742 0.000 1.095 4309 L CA 1.297 55.959 54.840 -0.297 0.000 0.770 4309 L CB -0.754 41.244 42.059 -0.101 0.000 0.914 4309 L HN -0.113 nan 8.230 nan 0.000 0.439 4310 K N 0.110 120.005 120.400 -0.842 0.000 2.063 4310 K HA -0.219 4.090 4.320 -0.019 0.000 0.208 4310 K C 1.614 177.941 176.600 -0.455 0.000 1.048 4310 K CA 1.912 57.743 56.287 -0.759 0.000 0.928 4310 K CB -0.160 32.098 32.500 -0.403 0.000 0.713 4310 K HN 0.228 nan 8.250 nan 0.000 0.442 4311 D N 0.281 120.426 120.400 -0.424 0.000 2.178 4311 D HA -0.065 4.564 4.640 -0.019 0.000 0.202 4311 D C -0.195 175.826 176.300 -0.465 0.000 0.974 4311 D CA 0.954 54.720 54.000 -0.390 0.000 0.841 4311 D CB 0.009 40.578 40.800 -0.384 0.000 0.953 4311 D HN 0.140 nan 8.370 nan 0.000 0.478 4312 N N 0.020 118.336 118.700 -0.641 0.000 2.976 4312 N HA 0.203 4.932 4.740 -0.019 0.000 0.255 4312 N C -2.182 173.116 175.510 -0.354 0.000 1.312 4312 N CA -1.095 51.609 53.050 -0.576 0.000 0.897 4312 N CB 1.714 39.606 38.487 -0.993 0.000 1.184 4312 N HN -0.032 nan 8.380 nan 0.000 0.497 4313 P HA -0.108 nan 4.420 nan 0.000 0.221 4313 P C 0.882 178.159 177.300 -0.038 0.000 1.150 4313 P CA 1.009 64.054 63.100 -0.092 0.000 0.800 4313 P CB 0.457 32.123 31.700 -0.057 0.000 0.787 4314 E N -0.528 119.634 120.200 -0.062 0.000 2.072 4314 E HA -0.095 4.244 4.350 -0.019 0.000 0.191 4314 E C 1.734 178.338 176.600 0.007 0.000 0.985 4314 E CA 1.483 57.872 56.400 -0.019 0.000 0.801 4314 E CB -1.792 27.895 29.700 -0.020 0.000 0.750 4314 E HN 0.256 nan 8.360 nan 0.000 0.452 4315 T N 1.700 116.243 114.554 -0.018 0.000 2.857 4315 T HA 0.016 4.355 4.350 -0.019 0.000 0.266 4315 T C 2.070 176.774 174.700 0.007 0.000 1.048 4315 T CA 1.308 63.428 62.100 0.032 0.000 1.139 4315 T CB -0.229 68.675 68.868 0.060 0.000 0.874 4315 T HN 0.312 nan 8.240 nan 0.000 0.455 4316 A N 2.296 125.119 122.820 0.006 0.000 1.877 4316 A HA -0.142 4.167 4.320 -0.019 0.000 0.216 4316 A C 2.315 179.973 177.584 0.123 0.000 1.186 4316 A CA 1.253 53.350 52.037 0.100 0.000 0.620 4316 A CB -0.353 18.784 19.000 0.229 0.000 0.822 4316 A HN 0.204 nan 8.150 nan 0.000 0.443 4317 K N -0.176 120.285 120.400 0.102 0.000 2.063 4317 K HA -0.196 4.113 4.320 -0.019 0.000 0.208 4317 K C 1.935 178.580 176.600 0.075 0.000 1.048 4317 K CA 1.658 57.997 56.287 0.087 0.000 0.928 4317 K CB -0.486 32.048 32.500 0.056 0.000 0.713 4317 K HN 0.792 nan 8.250 nan 0.000 0.442 4318 E N 0.677 120.920 120.200 0.070 0.000 2.051 4318 E HA -0.145 4.194 4.350 -0.019 0.000 0.192 4318 E C 2.123 178.772 176.600 0.082 0.000 0.991 4318 E CA 0.958 57.409 56.400 0.084 0.000 0.799 4318 E CB -0.026 29.744 29.700 0.117 0.000 0.748 4318 E HN 0.231 nan 8.360 nan 0.000 0.449 4319 I N 0.965 121.562 120.570 0.046 0.000 2.226 4319 I HA -0.236 3.923 4.170 -0.019 0.000 0.245 4319 I C 2.715 178.857 176.117 0.041 0.000 1.100 4319 I CA 1.182 62.495 61.300 0.023 0.000 1.374 4319 I CB -0.419 37.531 38.000 -0.083 0.000 1.057 4319 I HN 0.246 nan 8.210 nan 0.000 0.413 4320 E N 1.676 121.909 120.200 0.056 0.000 2.058 4320 E HA -0.310 4.029 4.350 -0.019 0.000 0.194 4320 E C 2.246 178.881 176.600 0.058 0.000 0.997 4320 E CA 1.551 57.988 56.400 0.063 0.000 0.801 4320 E CB -0.013 29.767 29.700 0.132 0.000 0.746 4320 E HN 0.324 nan 8.360 nan 0.000 0.450 4321 K N 0.628 121.066 120.400 0.062 0.000 2.063 4321 K HA -0.217 4.092 4.320 -0.019 0.000 0.208 4321 K C 2.117 178.747 176.600 0.049 0.000 1.048 4321 K CA 1.709 58.028 56.287 0.053 0.000 0.928 4321 K CB 0.037 32.569 32.500 0.052 0.000 0.713 4321 K HN -0.039 nan 8.250 nan 0.000 0.442 4322 K N -0.062 120.372 120.400 0.057 0.000 2.057 4322 K HA -0.067 4.242 4.320 -0.019 0.000 0.206 4322 K C 1.966 178.594 176.600 0.046 0.000 1.050 4322 K CA 1.091 57.413 56.287 0.058 0.000 0.935 4322 K CB 0.072 32.619 32.500 0.079 0.000 0.715 4322 K HN -0.039 nan 8.250 nan 0.000 0.439 4323 V N 1.313 121.251 119.914 0.040 0.000 2.295 4323 V HA -0.277 3.832 4.120 -0.019 0.000 0.246 4323 V C 2.188 178.295 176.094 0.022 0.000 1.049 4323 V CA 1.750 64.065 62.300 0.025 0.000 1.024 4323 V CB -0.429 31.397 31.823 0.005 0.000 0.648 4323 V HN 0.279 nan 8.190 nan 0.000 0.447 4324 R N -0.252 120.263 120.500 0.025 0.000 2.073 4324 R HA -0.186 4.143 4.340 -0.019 0.000 0.234 4324 R C 2.352 178.666 176.300 0.025 0.000 1.134 4324 R CA 1.824 57.938 56.100 0.024 0.000 0.952 4324 R CB -0.346 29.971 30.300 0.029 0.000 0.850 4324 R HN 0.604 nan 8.270 nan 0.000 0.433 4325 E N 0.592 120.810 120.200 0.029 0.000 2.085 4325 E HA -0.204 4.135 4.350 -0.019 0.000 0.194 4325 E C 2.021 178.638 176.600 0.027 0.000 0.994 4325 E CA 1.155 57.572 56.400 0.028 0.000 0.801 4325 E CB -0.096 29.623 29.700 0.032 0.000 0.743 4325 E HN 0.281 nan 8.360 nan 0.000 0.453 4326 L N 0.016 121.256 121.223 0.029 0.000 2.093 4326 L HA -0.144 4.185 4.340 -0.019 0.000 0.208 4326 L C 2.055 178.941 176.870 0.026 0.000 1.085 4326 L CA 0.889 55.747 54.840 0.029 0.000 0.755 4326 L CB 0.019 42.097 42.059 0.032 0.000 0.904 4326 L HN 0.167 nan 8.230 nan 0.000 0.435 4327 L N -1.747 119.490 121.223 0.023 0.000 2.781 4327 L HA 0.198 4.526 4.340 -0.019 0.000 0.245 4327 L C 0.798 177.680 176.870 0.019 0.000 1.118 4327 L CA -0.308 54.545 54.840 0.021 0.000 0.918 4327 L CB 0.473 42.543 42.059 0.018 0.000 1.246 4327 L HN 0.081 nan 8.230 nan 0.000 0.526 4328 L N 0.000 121.234 121.223 0.018 0.000 2.949 4328 L HA 0.000 4.329 4.340 -0.019 0.000 0.249 4328 L CA 0.000 54.850 54.840 0.016 0.000 0.813 4328 L CB 0.000 42.068 42.059 0.014 0.000 0.961 4328 L HN 0.000 nan 8.230 nan 0.000 0.502