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 3cmv_1_E DATA FIRST_RESID 37 DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIXXSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQXX XXXXXXXXXX XXXXGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLXXXXXXXX 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 XXXXXXXXXK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE XXXXXXXXGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQXX XXXXXXXXXX XXXXGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLXXXXXXXX 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 XXXXXXXXXK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE XXXXXXXXGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQXX XXXXXXXXXX XXXXGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLXXXXXXXX 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 XXXXXXXXXK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPXXXXX XXXXXXXXXL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQXX XXXXXXXXXX XXXXGGNALK 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 0.000 176.087 176.094 -0.012 0.000 1.182 37 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 37 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 38 E N 1.264 121.456 120.200 -0.012 0.000 2.331 38 E HA 0.634 4.984 4.350 -0.000 0.000 0.272 38 E C -0.799 175.788 176.600 -0.021 0.000 1.036 38 E CA 0.294 56.684 56.400 -0.017 0.000 0.864 38 E CB 1.566 31.257 29.700 -0.015 0.000 1.035 38 E HN 0.941 nan 8.360 nan 0.000 0.408 39 T N 0.290 114.827 114.554 -0.028 0.000 2.916 39 T HA 0.496 4.846 4.350 -0.000 0.000 0.298 39 T C -0.325 174.347 174.700 -0.047 0.000 1.031 39 T CA -0.884 61.195 62.100 -0.036 0.000 0.993 39 T CB 0.968 69.813 68.868 -0.038 0.000 1.045 39 T HN 0.151 nan 8.240 nan 0.000 0.454 40 I N 2.162 122.701 120.570 -0.052 0.000 2.377 40 I HA 0.380 4.550 4.170 -0.000 0.000 0.293 40 I C 0.912 176.977 176.117 -0.088 0.000 0.987 40 I CA -0.606 60.654 61.300 -0.066 0.000 1.185 40 I CB 1.678 39.645 38.000 -0.056 0.000 1.341 40 I HN 0.845 nan 8.210 nan 0.000 0.455 41 S N 3.295 118.925 115.700 -0.117 0.000 2.537 41 S HA 0.026 4.496 4.470 -0.000 0.000 0.286 41 S C 1.572 176.074 174.600 -0.164 0.000 1.299 41 S CA -0.010 58.092 58.200 -0.163 0.000 1.067 41 S CB 0.346 63.412 63.200 -0.223 0.000 0.864 41 S HN 0.805 nan 8.310 nan 0.000 0.494 42 T N 2.651 117.103 114.554 -0.171 0.000 2.962 42 T HA 0.186 4.536 4.350 -0.000 0.000 0.270 42 T C 1.580 176.165 174.700 -0.191 0.000 1.088 42 T CA 1.130 63.137 62.100 -0.156 0.000 1.127 42 T CB -0.523 68.252 68.868 -0.156 0.000 0.883 42 T HN 1.425 nan 8.240 nan 0.000 0.493 43 G N 0.526 109.169 108.800 -0.262 0.000 2.313 43 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 43 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 43 G C 0.311 175.004 174.900 -0.346 0.000 1.023 43 G CA 0.267 45.198 45.100 -0.282 0.000 0.626 43 G HN 1.089 nan 8.290 nan 0.000 0.503 44 S N 0.615 116.078 115.700 -0.396 0.000 2.565 44 S HA 0.705 5.175 4.470 -0.000 0.000 0.290 44 S C 1.401 175.803 174.600 -0.330 0.000 1.150 44 S CA -0.323 57.603 58.200 -0.456 0.000 1.058 44 S CB 1.280 63.965 63.200 -0.859 0.000 1.032 44 S HN 0.396 nan 8.310 nan 0.000 0.510 45 L N 3.764 124.856 121.223 -0.218 0.000 2.044 45 L HA 0.018 4.358 4.340 -0.000 0.000 0.205 45 L C 2.568 179.381 176.870 -0.095 0.000 1.075 45 L CA 2.460 57.216 54.840 -0.141 0.000 0.747 45 L CB -1.537 40.512 42.059 -0.016 0.000 0.903 45 L HN 0.958 nan 8.230 nan 0.000 0.435 46 S N -1.114 114.549 115.700 -0.062 0.000 2.461 46 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 46 S C 2.024 176.616 174.600 -0.013 0.000 1.005 46 S CA 0.417 58.615 58.200 -0.004 0.000 0.942 46 S CB -0.496 62.742 63.200 0.063 0.000 0.776 46 S HN 0.402 nan 8.310 nan 0.000 0.514 47 L N 1.581 122.757 121.223 -0.078 0.000 2.017 47 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 47 L C 1.833 178.671 176.870 -0.054 0.000 1.073 47 L CA 1.944 56.750 54.840 -0.056 0.000 0.745 47 L CB -0.526 41.456 42.059 -0.129 0.000 0.894 47 L HN 0.194 nan 8.230 nan 0.000 0.432 48 D N 0.002 120.349 120.400 -0.089 0.000 2.149 48 D HA -0.213 4.427 4.640 -0.000 0.000 0.198 48 D C 2.130 178.405 176.300 -0.042 0.000 0.990 48 D CA 1.427 55.381 54.000 -0.076 0.000 0.839 48 D CB -0.147 40.589 40.800 -0.107 0.000 0.948 48 D HN 0.361 nan 8.370 nan 0.000 0.460 49 I N 0.654 121.206 120.570 -0.029 0.000 2.202 49 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 49 I C 2.280 178.402 176.117 0.009 0.000 1.091 49 I CA 1.147 62.444 61.300 -0.005 0.000 1.368 49 I CB -0.127 37.878 38.000 0.008 0.000 1.058 49 I HN -0.042 nan 8.210 nan 0.000 0.410 50 A N 0.098 122.928 122.820 0.016 0.000 2.067 50 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 50 A C 2.232 179.827 177.584 0.018 0.000 1.156 50 A CA 0.724 52.778 52.037 0.029 0.000 0.683 50 A CB -0.571 18.457 19.000 0.046 0.000 0.808 50 A HN 0.357 nan 8.150 nan 0.000 0.455 51 L N -1.299 119.925 121.223 0.003 0.000 2.131 51 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 51 L C 2.124 178.993 176.870 -0.003 0.000 1.092 51 L CA 1.253 56.090 54.840 -0.006 0.000 0.759 51 L CB -0.236 41.811 42.059 -0.020 0.000 0.903 51 L HN 0.592 nan 8.230 nan 0.000 0.435 52 G N -1.623 107.177 108.800 -0.001 0.000 2.199 52 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.254 52 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.254 52 G C 0.822 175.719 174.900 -0.005 0.000 0.982 52 G CA 0.502 45.604 45.100 0.002 0.000 0.632 52 G HN 0.516 nan 8.290 nan 0.000 0.529 53 A N -0.205 122.607 122.820 -0.013 0.000 2.324 53 A HA 0.644 4.964 4.320 -0.000 0.000 0.220 53 A C 2.248 179.815 177.584 -0.028 0.000 1.209 53 A CA 1.620 53.646 52.037 -0.018 0.000 0.918 53 A CB -0.039 18.949 19.000 -0.019 0.000 0.959 53 A HN 2.342 nan 8.150 nan 0.000 0.507 54 G N -1.106 107.673 108.800 -0.035 0.000 2.272 54 G HA2 0.327 4.287 3.960 -0.000 0.000 0.280 54 G HA3 0.327 4.287 3.960 -0.000 0.000 0.280 54 G C 0.951 175.811 174.900 -0.066 0.000 1.067 54 G CA 0.674 45.743 45.100 -0.052 0.000 0.902 54 G HN 2.287 nan 8.290 nan 0.000 0.500 55 G N -1.744 107.018 108.800 -0.062 0.000 2.357 55 G HA2 0.418 4.378 3.960 -0.000 0.000 0.289 55 G HA3 0.418 4.378 3.960 -0.000 0.000 0.289 55 G C -0.816 174.055 174.900 -0.049 0.000 1.302 55 G CA -0.555 44.505 45.100 -0.067 0.000 0.936 55 G HN 0.999 nan 8.290 nan 0.000 0.513 56 L N 1.482 122.678 121.223 -0.046 0.000 2.257 56 L HA 0.380 4.720 4.340 -0.000 0.000 0.290 56 L C -2.074 174.782 176.870 -0.023 0.000 1.044 56 L CA -1.708 53.114 54.840 -0.031 0.000 0.810 56 L CB 1.714 43.758 42.059 -0.027 0.000 1.193 56 L HN 0.200 nan 8.230 nan 0.000 0.425 57 P HA -0.077 nan 4.420 nan 0.000 0.251 57 P C -0.137 177.159 177.300 -0.007 0.000 1.154 57 P CA 0.523 63.615 63.100 -0.012 0.000 0.805 57 P CB 0.142 31.836 31.700 -0.010 0.000 0.759 58 M N 2.799 122.394 119.600 -0.009 0.000 2.248 58 M HA 0.119 4.599 4.480 -0.000 0.000 0.345 58 M C 1.638 177.939 176.300 0.002 0.000 1.243 58 M CA 1.133 56.430 55.300 -0.005 0.000 1.090 58 M CB -0.516 32.079 32.600 -0.009 0.000 1.683 58 M HN 0.783 nan 8.290 nan 0.000 0.450 59 G N 2.873 111.678 108.800 0.008 0.000 2.175 59 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.244 59 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.244 59 G C 0.135 175.050 174.900 0.024 0.000 0.982 59 G CA -0.267 44.842 45.100 0.015 0.000 0.641 59 G HN 0.549 nan 8.290 nan 0.000 0.527 60 R N -0.639 119.876 120.500 0.026 0.000 2.919 60 R HA 0.751 5.091 4.340 -0.000 0.000 0.260 60 R C -0.071 176.265 176.300 0.060 0.000 1.067 60 R CA -1.163 54.959 56.100 0.036 0.000 1.003 60 R CB 0.876 31.187 30.300 0.019 0.000 1.192 60 R HN 0.198 nan 8.270 nan 0.000 0.488 61 I N 0.973 121.592 120.570 0.081 0.000 2.353 61 I HA 0.247 4.417 4.170 -0.000 0.000 0.293 61 I C -0.433 175.739 176.117 0.092 0.000 0.992 61 I CA -0.640 60.737 61.300 0.129 0.000 1.268 61 I CB 1.599 39.699 38.000 0.167 0.000 1.387 61 I HN -0.007 nan 8.210 nan 0.000 0.478 62 V N 6.541 126.525 119.914 0.116 0.000 2.483 62 V HA 0.297 4.417 4.120 -0.000 0.000 0.297 62 V C -0.292 175.861 176.094 0.100 0.000 1.027 62 V CA -0.643 61.696 62.300 0.065 0.000 0.855 62 V CB 1.795 33.640 31.823 0.037 0.000 0.995 62 V HN 0.677 nan 8.190 nan 0.000 0.424 63 E N 4.844 125.063 120.200 0.032 0.000 2.151 63 E HA 0.580 4.930 4.350 -0.000 0.000 0.275 63 E C -1.318 175.284 176.600 0.003 0.000 0.936 63 E CA -0.575 55.841 56.400 0.028 0.000 0.777 63 E CB 1.442 31.087 29.700 -0.092 0.000 1.108 63 E HN 0.631 nan 8.360 nan 0.000 0.401 64 I N 6.745 127.363 120.570 0.080 0.000 2.354 64 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 64 I C -0.627 175.619 176.117 0.215 0.000 1.007 64 I CA -0.708 60.666 61.300 0.124 0.000 1.167 64 I CB 0.678 38.745 38.000 0.112 0.000 1.320 64 I HN 0.510 nan 8.210 nan 0.000 0.458 65 Y N 4.532 124.848 120.300 0.027 0.000 2.562 65 Y HA 0.976 5.526 4.550 0.000 0.000 0.343 65 Y C -0.053 175.856 175.900 0.015 0.000 1.025 65 Y CA -1.081 57.032 58.100 0.020 0.000 1.082 65 Y CB 2.483 40.947 38.460 0.006 0.000 1.264 65 Y HN 0.603 nan 8.280 nan 0.000 0.478 66 G N 1.387 110.149 108.800 -0.063 0.000 2.358 66 G HA2 0.266 4.226 3.960 -0.000 0.000 0.303 66 G HA3 0.266 4.226 3.960 -0.000 0.000 0.303 66 G C -3.513 171.329 174.900 -0.098 0.000 1.537 66 G CA -1.398 43.595 45.100 -0.178 0.000 0.928 66 G HN 0.467 nan 8.290 nan 0.000 0.656 67 P HA 0.098 nan 4.420 nan 0.000 0.265 67 P C 0.629 177.909 177.300 -0.033 0.000 1.167 67 P CA 0.554 63.615 63.100 -0.063 0.000 0.760 67 P CB 0.297 31.960 31.700 -0.062 0.000 0.783 68 E N 1.174 121.361 120.200 -0.022 0.000 2.425 68 E HA 0.111 4.461 4.350 -0.000 0.000 0.258 68 E C -0.304 176.287 176.600 -0.015 0.000 1.151 68 E CA -0.479 55.915 56.400 -0.010 0.000 0.958 68 E CB -0.188 29.507 29.700 -0.008 0.000 0.968 68 E HN 0.253 nan 8.360 nan 0.000 0.451 69 S N 0.229 115.921 115.700 -0.014 0.000 3.550 69 S HA -0.175 4.295 4.470 -0.000 0.000 0.372 69 S C 0.363 174.950 174.600 -0.021 0.000 0.966 69 S CA 0.895 59.079 58.200 -0.027 0.000 1.229 69 S CB -1.775 61.402 63.200 -0.037 0.000 0.917 69 S HN 0.754 nan 8.310 nan 0.000 0.496 70 S N -1.109 114.586 115.700 -0.008 0.000 2.666 70 S HA 0.534 5.004 4.470 -0.000 0.000 0.239 70 S C 1.182 175.787 174.600 0.009 0.000 1.031 70 S CA 0.553 58.748 58.200 -0.009 0.000 1.015 70 S CB 1.114 64.305 63.200 -0.015 0.000 0.981 70 S HN 2.008 nan 8.310 nan 0.000 0.547 71 G N 1.565 110.382 108.800 0.029 0.000 2.148 71 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.203 71 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.203 71 G C 0.617 175.576 174.900 0.098 0.000 0.993 71 G CA 0.283 45.426 45.100 0.071 0.000 0.661 71 G HN 0.437 nan 8.290 nan 0.000 0.518 72 K N -0.257 120.189 120.400 0.078 0.000 2.001 72 K HA -0.079 4.241 4.320 -0.000 0.000 0.214 72 K C 2.656 179.316 176.600 0.100 0.000 1.050 72 K CA 2.427 58.767 56.287 0.089 0.000 0.934 72 K CB -0.352 32.192 32.500 0.073 0.000 0.718 72 K HN 0.271 nan 8.250 nan 0.000 0.443 73 T N 0.010 114.624 114.554 0.101 0.000 2.867 73 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 73 T C 1.559 176.328 174.700 0.116 0.000 1.057 73 T CA 1.654 63.825 62.100 0.117 0.000 1.136 73 T CB -0.241 68.702 68.868 0.126 0.000 0.874 73 T HN 0.385 nan 8.240 nan 0.000 0.466 74 T N 2.462 117.103 114.554 0.146 0.000 2.643 74 T HA -0.034 4.316 4.350 -0.000 0.000 0.264 74 T C 1.893 176.635 174.700 0.071 0.000 1.045 74 T CA 1.021 63.201 62.100 0.134 0.000 1.155 74 T CB -0.651 68.341 68.868 0.206 0.000 0.863 74 T HN 0.230 nan 8.240 nan 0.000 0.420 75 L N 0.487 121.773 121.223 0.104 0.000 2.043 75 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 75 L C 2.653 179.544 176.870 0.036 0.000 1.075 75 L CA 1.631 56.518 54.840 0.079 0.000 0.752 75 L CB -0.780 41.354 42.059 0.126 0.000 0.891 75 L HN 0.310 nan 8.230 nan 0.000 0.432 76 T N 0.111 114.698 114.554 0.055 0.000 2.580 76 T HA -0.252 4.098 4.350 -0.000 0.000 0.265 76 T C 1.693 176.402 174.700 0.013 0.000 1.063 76 T CA 1.890 64.019 62.100 0.048 0.000 1.170 76 T CB -0.345 68.578 68.868 0.092 0.000 0.863 76 T HN 0.180 nan 8.240 nan 0.000 0.418 77 L N 1.302 122.522 121.223 -0.005 0.000 2.447 77 L HA -0.061 4.279 4.340 -0.000 0.000 0.225 77 L C 2.587 179.403 176.870 -0.090 0.000 1.148 77 L CA 1.321 56.115 54.840 -0.076 0.000 0.808 77 L CB -0.529 41.452 42.059 -0.129 0.000 0.928 77 L HN 0.226 nan 8.230 nan 0.000 0.448 78 Q N -1.064 118.696 119.800 -0.066 0.000 2.212 78 Q HA -0.030 4.310 4.340 -0.000 0.000 0.199 78 Q C 2.360 178.309 176.000 -0.085 0.000 0.950 78 Q CA 1.568 57.322 55.803 -0.081 0.000 0.863 78 Q CB -0.002 28.693 28.738 -0.070 0.000 0.944 78 Q HN 0.580 nan 8.270 nan 0.000 0.465 79 V N -2.194 117.680 119.914 -0.066 0.000 2.591 79 V HA -0.084 4.036 4.120 -0.000 0.000 0.249 79 V C 2.093 178.152 176.094 -0.060 0.000 1.053 79 V CA 0.956 63.215 62.300 -0.067 0.000 1.068 79 V CB -0.729 31.064 31.823 -0.050 0.000 0.689 79 V HN 0.137 nan 8.190 nan 0.000 0.462 80 I N 1.230 121.768 120.570 -0.053 0.000 2.493 80 I HA -0.097 4.073 4.170 -0.000 0.000 0.254 80 I C 2.860 178.936 176.117 -0.069 0.000 1.160 80 I CA 1.321 62.589 61.300 -0.053 0.000 1.445 80 I CB -0.644 37.322 38.000 -0.057 0.000 1.086 80 I HN 0.388 nan 8.210 nan 0.000 0.433 81 A N 1.198 123.969 122.820 -0.082 0.000 1.832 81 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 81 A C 2.605 180.143 177.584 -0.076 0.000 1.200 81 A CA 1.649 53.636 52.037 -0.083 0.000 0.610 81 A CB -0.977 17.969 19.000 -0.091 0.000 0.842 81 A HN 0.370 nan 8.150 nan 0.000 0.444 82 A N -0.379 122.388 122.820 -0.089 0.000 1.978 82 A HA 0.107 4.427 4.320 -0.000 0.000 0.220 82 A C 2.388 179.925 177.584 -0.078 0.000 1.170 82 A CA 2.302 54.279 52.037 -0.099 0.000 0.636 82 A CB -0.827 18.092 19.000 -0.134 0.000 0.810 82 A HN 1.083 nan 8.150 nan 0.000 0.448 83 A N -1.688 121.093 122.820 -0.066 0.000 1.975 83 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 83 A C 2.044 179.602 177.584 -0.043 0.000 1.170 83 A CA 1.566 53.572 52.037 -0.051 0.000 0.656 83 A CB -0.307 18.666 19.000 -0.044 0.000 0.821 83 A HN 0.456 nan 8.150 nan 0.000 0.449 84 Q N -0.244 119.528 119.800 -0.046 0.000 2.291 84 Q HA 0.004 4.344 4.340 -0.000 0.000 0.205 84 Q C 1.756 177.734 176.000 -0.037 0.000 0.970 84 Q CA 1.124 56.903 55.803 -0.041 0.000 0.876 84 Q CB -0.213 28.495 28.738 -0.049 0.000 0.935 84 Q HN 0.576 nan 8.270 nan 0.000 0.455 85 R N -0.016 120.460 120.500 -0.040 0.000 2.555 85 R HA 0.118 4.458 4.340 -0.000 0.000 0.272 85 R C -0.288 175.993 176.300 -0.031 0.000 1.089 85 R CA 0.250 56.329 56.100 -0.034 0.000 1.126 85 R CB 0.210 30.488 30.300 -0.036 0.000 1.250 85 R HN 0.109 nan 8.270 nan 0.000 0.551 86 E N -1.526 118.655 120.200 -0.031 0.000 3.293 86 E HA 0.148 4.498 4.350 -0.000 0.000 0.174 86 E C 0.313 176.900 176.600 -0.021 0.000 0.958 86 E CA 0.219 56.603 56.400 -0.027 0.000 1.352 86 E CB 1.273 30.954 29.700 -0.032 0.000 1.066 86 E HN 0.451 nan 8.360 nan 0.000 0.448 87 G N 2.230 111.018 108.800 -0.019 0.000 5.155 87 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.239 87 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.239 87 G C 0.141 175.033 174.900 -0.015 0.000 1.409 87 G CA 0.103 45.194 45.100 -0.015 0.000 0.927 87 G HN 0.207 nan 8.290 nan 0.000 0.710 88 K N 3.288 123.679 120.400 -0.015 0.000 4.321 88 K HA -0.127 4.193 4.320 -0.000 0.000 0.255 88 K C 1.030 177.623 176.600 -0.012 0.000 0.855 88 K CA 1.545 57.824 56.287 -0.014 0.000 0.904 88 K CB -1.911 30.577 32.500 -0.019 0.000 1.921 88 K HN 1.233 nan 8.250 nan 0.000 0.419 89 T N -0.804 113.746 114.554 -0.007 0.000 2.916 89 T HA 0.205 4.555 4.350 -0.000 0.000 0.303 89 T C 0.645 175.345 174.700 0.000 0.000 1.025 89 T CA -0.796 61.302 62.100 -0.003 0.000 1.142 89 T CB 0.802 69.672 68.868 0.002 0.000 0.947 89 T HN 0.452 nan 8.240 nan 0.000 0.544 90 C N 2.383 121.685 119.300 0.002 0.000 2.614 90 C HA 0.887 5.347 4.460 -0.000 0.000 0.320 90 C C 0.502 175.512 174.990 0.033 0.000 1.200 90 C CA -0.633 58.391 59.018 0.010 0.000 1.700 90 C CB 1.159 28.900 27.740 0.003 0.000 2.275 90 C HN 1.220 nan 8.230 nan 0.000 0.492 91 A N 1.774 124.619 122.820 0.042 0.000 2.342 91 A HA 0.825 5.145 4.320 -0.000 0.000 0.323 91 A C -1.212 176.444 177.584 0.120 0.000 1.125 91 A CA -0.232 51.843 52.037 0.063 0.000 0.785 91 A CB 0.663 19.673 19.000 0.016 0.000 1.221 91 A HN 0.800 nan 8.150 nan 0.000 0.463 92 F N 4.717 124.640 119.950 -0.045 0.000 2.434 92 F HA 0.452 4.979 4.527 -0.000 0.000 0.367 92 F C -0.577 175.203 175.800 -0.034 0.000 1.093 92 F CA -1.285 56.684 58.000 -0.052 0.000 1.085 92 F CB 0.893 39.862 39.000 -0.051 0.000 1.322 92 F HN 0.404 nan 8.300 nan 0.000 0.452 93 I N 4.063 124.390 120.570 -0.406 0.000 2.329 93 I HA 0.133 4.303 4.170 -0.000 0.000 0.295 93 I C -0.244 175.552 176.117 -0.536 0.000 1.109 93 I CA -0.043 61.046 61.300 -0.352 0.000 1.297 93 I CB 0.104 37.925 38.000 -0.299 0.000 1.433 93 I HN 0.484 nan 8.210 nan 0.000 0.509 94 D N 5.250 125.445 120.400 -0.343 0.000 2.381 94 D HA 0.606 5.246 4.640 -0.000 0.000 0.235 94 D C 0.363 176.557 176.300 -0.178 0.000 1.068 94 D CA -0.391 53.438 54.000 -0.286 0.000 0.832 94 D CB 1.791 42.658 40.800 0.112 0.000 1.101 94 D HN 0.592 nan 8.370 nan 0.000 0.515 95 A N 3.813 126.498 122.820 -0.225 0.000 2.456 95 A HA 0.120 4.440 4.320 -0.000 0.000 0.237 95 A C 1.495 178.851 177.584 -0.379 0.000 1.217 95 A CA -0.215 51.669 52.037 -0.255 0.000 0.962 95 A CB 0.192 19.186 19.000 -0.009 0.000 1.079 95 A HN 0.528 nan 8.150 nan 0.000 0.536 96 E N 0.129 120.195 120.200 -0.224 0.000 2.158 96 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 96 E C -0.413 176.192 176.600 0.009 0.000 0.982 96 E CA 0.766 57.119 56.400 -0.078 0.000 0.823 96 E CB -0.330 29.390 29.700 0.034 0.000 0.766 96 E HN 0.794 nan 8.360 nan 0.000 0.468 97 H N -1.201 118.004 119.070 0.226 0.000 2.770 97 H HA -0.205 4.351 4.556 -0.000 0.000 0.309 97 H C 0.676 176.243 175.328 0.399 0.000 1.206 97 H CA 0.035 56.252 56.048 0.281 0.000 1.147 97 H CB -1.470 28.325 29.762 0.054 0.000 1.422 97 H HN 0.275 nan 8.280 nan 0.000 0.420 98 A N 0.681 123.799 122.820 0.497 0.000 2.984 98 A HA 0.494 4.814 4.320 -0.000 0.000 0.212 98 A C 0.939 178.688 177.584 0.274 0.000 2.164 98 A CA 0.136 52.368 52.037 0.326 0.000 0.982 98 A CB -0.101 19.015 19.000 0.195 0.000 1.352 98 A HN 0.815 nan 8.150 nan 0.000 0.491 99 L N 0.537 121.814 121.223 0.090 0.000 3.319 99 L HA -0.168 4.172 4.340 -0.000 0.000 0.534 99 L C -1.260 175.533 176.870 -0.128 0.000 1.001 99 L CA 0.660 55.401 54.840 -0.166 0.000 1.233 99 L CB -1.281 40.398 42.059 -0.635 0.000 1.030 99 L HN 0.547 nan 8.230 nan 0.000 0.588 100 D N 8.134 128.516 120.400 -0.029 0.000 2.380 100 D HA 0.362 5.002 4.640 -0.000 0.000 0.230 100 D C -1.362 174.928 176.300 -0.016 0.000 1.154 100 D CA -1.707 52.310 54.000 0.029 0.000 0.859 100 D CB 1.159 42.007 40.800 0.080 0.000 1.045 100 D HN 0.447 nan 8.370 nan 0.000 0.495 101 P HA -0.201 nan 4.420 nan 0.000 0.217 101 P C 1.542 178.826 177.300 -0.026 0.000 1.151 101 P CA 0.911 63.973 63.100 -0.063 0.000 0.849 101 P CB 0.397 32.099 31.700 0.003 0.000 0.787 102 I N -1.476 119.111 120.570 0.028 0.000 2.233 102 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 102 I C 2.739 178.896 176.117 0.067 0.000 1.093 102 I CA 1.229 62.555 61.300 0.044 0.000 1.380 102 I CB -1.946 36.091 38.000 0.062 0.000 1.067 102 I HN -0.065 nan 8.210 nan 0.000 0.413 103 Y N 2.212 122.488 120.300 -0.040 0.000 2.207 103 Y HA -0.262 4.288 4.550 0.000 0.000 0.287 103 Y C 2.676 178.541 175.900 -0.059 0.000 1.156 103 Y CA 1.916 59.990 58.100 -0.043 0.000 1.182 103 Y CB 0.017 38.447 38.460 -0.050 0.000 0.979 103 Y HN 0.138 nan 8.280 nan 0.000 0.521 104 A N 0.514 123.259 122.820 -0.124 0.000 1.877 104 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 104 A C 2.261 179.732 177.584 -0.188 0.000 1.186 104 A CA 1.829 53.732 52.037 -0.224 0.000 0.620 104 A CB -0.820 18.055 19.000 -0.208 0.000 0.822 104 A HN 0.544 nan 8.150 nan 0.000 0.443 105 R N -0.262 120.169 120.500 -0.115 0.000 2.091 105 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 105 R C 1.972 178.221 176.300 -0.085 0.000 1.136 105 R CA 1.950 58.001 56.100 -0.082 0.000 0.959 105 R CB -0.182 30.093 30.300 -0.042 0.000 0.856 105 R HN 0.515 nan 8.270 nan 0.000 0.437 106 K N -0.147 120.197 120.400 -0.093 0.000 2.366 106 K HA -0.010 4.310 4.320 -0.000 0.000 0.198 106 K C 1.825 178.348 176.600 -0.129 0.000 1.044 106 K CA 0.535 56.776 56.287 -0.078 0.000 0.973 106 K CB 0.167 32.651 32.500 -0.028 0.000 0.767 106 K HN 0.197 nan 8.250 nan 0.000 0.475 107 L N -0.477 120.607 121.223 -0.232 0.000 2.240 107 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 107 L C 0.973 177.762 176.870 -0.136 0.000 1.106 107 L CA 0.813 55.513 54.840 -0.232 0.000 0.793 107 L CB 0.099 41.938 42.059 -0.366 0.000 0.927 107 L HN 0.448 nan 8.230 nan 0.000 0.446 108 G N -0.082 108.646 108.800 -0.119 0.000 2.245 108 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.130 108 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.130 108 G C -0.319 174.531 174.900 -0.083 0.000 1.040 108 G CA -0.370 44.682 45.100 -0.079 0.000 0.713 108 G HN -0.001 nan 8.290 nan 0.000 0.488 109 V N 0.585 120.437 119.914 -0.103 0.000 2.439 109 V HA 0.450 4.570 4.120 -0.000 0.000 0.282 109 V C 0.373 176.417 176.094 -0.083 0.000 1.039 109 V CA -0.865 61.374 62.300 -0.102 0.000 0.913 109 V CB 1.846 33.585 31.823 -0.139 0.000 0.983 109 V HN 0.312 nan 8.190 nan 0.000 0.460 110 D N 4.071 124.431 120.400 -0.066 0.000 2.398 110 D HA 0.088 4.728 4.640 -0.000 0.000 0.250 110 D C 1.025 177.291 176.300 -0.057 0.000 1.287 110 D CA -0.072 53.898 54.000 -0.051 0.000 0.992 110 D CB 0.544 41.322 40.800 -0.037 0.000 1.071 110 D HN 0.295 nan 8.370 nan 0.000 0.514 111 I N 2.532 123.065 120.570 -0.063 0.000 2.252 111 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 111 I C 1.404 177.496 176.117 -0.041 0.000 1.102 111 I CA 0.975 62.232 61.300 -0.071 0.000 1.385 111 I CB -0.741 37.215 38.000 -0.074 0.000 1.064 111 I HN 0.297 nan 8.210 nan 0.000 0.414 112 D N 0.371 120.756 120.400 -0.025 0.000 2.354 112 D HA -0.163 4.477 4.640 -0.000 0.000 0.216 112 D C 1.445 177.742 176.300 -0.005 0.000 0.970 112 D CA 0.816 54.810 54.000 -0.009 0.000 0.905 112 D CB -0.277 40.520 40.800 -0.005 0.000 0.903 112 D HN 0.291 nan 8.370 nan 0.000 0.508 113 N N 0.138 118.829 118.700 -0.014 0.000 2.416 113 N HA 0.082 4.822 4.740 -0.000 0.000 0.267 113 N C -1.044 174.460 175.510 -0.010 0.000 1.294 113 N CA -0.128 52.917 53.050 -0.008 0.000 0.891 113 N CB 0.635 39.115 38.487 -0.011 0.000 1.238 113 N HN 0.079 nan 8.380 nan 0.000 0.508 114 L N 1.867 123.082 121.223 -0.012 0.000 2.334 114 L HA 0.561 4.901 4.340 -0.000 0.000 0.276 114 L C -0.734 176.151 176.870 0.024 0.000 1.014 114 L CA -0.542 54.290 54.840 -0.012 0.000 0.815 114 L CB 2.044 44.066 42.059 -0.062 0.000 1.268 114 L HN 0.001 nan 8.230 nan 0.000 0.428 115 L N 4.457 125.710 121.223 0.049 0.000 2.282 115 L HA 0.470 4.810 4.340 -0.000 0.000 0.288 115 L C -0.000 176.955 176.870 0.142 0.000 1.033 115 L CA -0.659 54.228 54.840 0.079 0.000 0.807 115 L CB 1.405 43.501 42.059 0.060 0.000 1.209 115 L HN 0.658 nan 8.230 nan 0.000 0.423 116 C N 0.976 120.381 119.300 0.174 0.000 2.529 116 C HA 0.840 5.300 4.460 -0.000 0.000 0.329 116 C C 0.245 175.343 174.990 0.180 0.000 1.194 116 C CA -0.509 58.676 59.018 0.279 0.000 1.779 116 C CB 1.548 29.532 27.740 0.407 0.000 2.322 116 C HN 0.822 nan 8.230 nan 0.000 0.500 117 S N 3.664 119.445 115.700 0.135 0.000 2.594 117 S HA 0.398 4.868 4.470 -0.000 0.000 0.322 117 S C -0.529 174.118 174.600 0.078 0.000 1.085 117 S CA -0.331 57.901 58.200 0.054 0.000 1.116 117 S CB 0.999 64.179 63.200 -0.033 0.000 0.979 117 S HN 0.821 nan 8.310 nan 0.000 0.465 118 Q N 2.569 122.432 119.800 0.104 0.000 3.091 118 Q HA 0.260 4.600 4.340 -0.000 0.000 0.301 118 Q C -2.445 173.634 176.000 0.133 0.000 1.337 118 Q CA -1.726 54.163 55.803 0.143 0.000 1.083 118 Q CB -0.022 28.796 28.738 0.133 0.000 1.477 118 Q HN 0.443 nan 8.270 nan 0.000 0.537 119 P HA 0.028 nan 4.420 nan 0.000 0.272 119 P C 0.529 177.932 177.300 0.172 0.000 1.240 119 P CA -0.250 62.895 63.100 0.075 0.000 0.791 119 P CB 1.091 32.801 31.700 0.016 0.000 0.978 120 D N -0.850 119.606 120.400 0.093 0.000 2.305 120 D HA -0.010 4.630 4.640 -0.000 0.000 0.206 120 D C 0.116 176.428 176.300 0.019 0.000 0.974 120 D CA 1.034 55.108 54.000 0.122 0.000 0.871 120 D CB 0.611 41.433 40.800 0.037 0.000 0.947 120 D HN 0.531 nan 8.370 nan 0.000 0.516 121 T N -5.442 109.041 114.554 -0.118 0.000 2.769 121 T HA 0.420 4.770 4.350 -0.000 0.000 0.306 121 T C 1.115 175.665 174.700 -0.250 0.000 1.400 121 T CA -0.206 61.700 62.100 -0.324 0.000 1.007 121 T CB 1.021 69.781 68.868 -0.181 0.000 1.392 121 T HN -0.193 nan 8.240 nan 0.000 0.500 122 G N 0.136 108.766 108.800 -0.284 0.000 2.408 122 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.217 122 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.217 122 G C 1.022 175.862 174.900 -0.099 0.000 1.150 122 G CA 1.034 46.041 45.100 -0.156 0.000 0.776 122 G HN 0.797 nan 8.290 nan 0.000 0.542 123 E N 0.089 120.232 120.200 -0.095 0.000 2.000 123 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 123 E C 2.475 179.031 176.600 -0.073 0.000 1.011 123 E CA 1.450 57.815 56.400 -0.059 0.000 0.836 123 E CB -0.473 29.206 29.700 -0.035 0.000 0.778 123 E HN 0.532 nan 8.360 nan 0.000 0.462 124 Q N 0.059 119.808 119.800 -0.084 0.000 2.182 124 Q HA -0.333 4.007 4.340 -0.000 0.000 0.213 124 Q C 1.989 177.848 176.000 -0.236 0.000 1.000 124 Q CA 2.188 57.897 55.803 -0.158 0.000 0.889 124 Q CB -0.310 28.360 28.738 -0.115 0.000 0.932 124 Q HN 0.306 nan 8.270 nan 0.000 0.415 125 A N 0.900 123.627 122.820 -0.155 0.000 1.841 125 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 125 A C 1.935 179.443 177.584 -0.126 0.000 1.199 125 A CA 1.493 53.447 52.037 -0.137 0.000 0.621 125 A CB -0.941 18.007 19.000 -0.086 0.000 0.835 125 A HN 0.509 nan 8.150 nan 0.000 0.445 126 L N -0.742 120.437 121.223 -0.072 0.000 2.786 126 L HA -0.079 4.261 4.340 -0.000 0.000 0.250 126 L C 1.734 178.583 176.870 -0.035 0.000 1.151 126 L CA 0.678 55.505 54.840 -0.022 0.000 0.910 126 L CB -0.289 41.779 42.059 0.014 0.000 1.082 126 L HN 0.575 nan 8.230 nan 0.000 0.433 127 E N -1.205 118.930 120.200 -0.107 0.000 2.467 127 E HA 0.079 4.429 4.350 -0.000 0.000 0.213 127 E C 2.017 178.509 176.600 -0.180 0.000 0.823 127 E CA -0.031 56.313 56.400 -0.093 0.000 1.233 127 E CB 0.464 30.132 29.700 -0.053 0.000 1.233 127 E HN 0.382 nan 8.360 nan 0.000 0.585 128 I N 1.566 121.931 120.570 -0.342 0.000 2.286 128 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 128 I C 2.624 178.665 176.117 -0.127 0.000 1.104 128 I CA 0.840 61.946 61.300 -0.323 0.000 1.397 128 I CB -0.288 37.498 38.000 -0.357 0.000 1.072 128 I HN 0.351 nan 8.210 nan 0.000 0.417 129 C N -0.510 118.721 119.300 -0.115 0.000 2.422 129 C HA -0.161 4.299 4.460 -0.000 0.000 0.279 129 C C 2.485 177.460 174.990 -0.025 0.000 1.305 129 C CA 0.516 59.487 59.018 -0.077 0.000 1.757 129 C CB -1.009 26.666 27.740 -0.108 0.000 1.962 129 C HN 0.504 nan 8.230 nan 0.000 0.499 130 D N 1.660 122.056 120.400 -0.007 0.000 2.097 130 D HA -0.062 4.578 4.640 -0.000 0.000 0.197 130 D C 2.433 178.761 176.300 0.048 0.000 0.984 130 D CA 2.004 56.024 54.000 0.033 0.000 0.826 130 D CB -0.289 40.540 40.800 0.048 0.000 0.973 130 D HN 0.538 nan 8.370 nan 0.000 0.460 131 A N 0.530 123.388 122.820 0.063 0.000 1.978 131 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 131 A C 2.536 180.160 177.584 0.067 0.000 1.170 131 A CA 0.945 53.043 52.037 0.102 0.000 0.636 131 A CB -0.657 18.461 19.000 0.195 0.000 0.810 131 A HN 0.348 nan 8.150 nan 0.000 0.448 132 L N -1.167 120.079 121.223 0.039 0.000 2.179 132 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 132 L C 3.010 179.895 176.870 0.025 0.000 1.096 132 L CA 0.696 55.553 54.840 0.028 0.000 0.779 132 L CB -0.515 41.550 42.059 0.011 0.000 0.922 132 L HN 0.403 nan 8.230 nan 0.000 0.443 133 A N 0.454 123.289 122.820 0.025 0.000 1.908 133 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 133 A C 2.419 180.021 177.584 0.030 0.000 1.181 133 A CA 1.540 53.593 52.037 0.027 0.000 0.627 133 A CB -0.442 18.579 19.000 0.035 0.000 0.818 133 A HN 0.319 nan 8.150 nan 0.000 0.445 134 R N -0.316 120.206 120.500 0.037 0.000 2.092 134 R HA -0.005 4.335 4.340 -0.000 0.000 0.231 134 R C 1.215 177.533 176.300 0.030 0.000 1.119 134 R CA 1.199 57.321 56.100 0.035 0.000 0.970 134 R CB -0.277 30.048 30.300 0.042 0.000 0.864 134 R HN 0.370 nan 8.270 nan 0.000 0.440 135 S N 0.373 116.091 115.700 0.031 0.000 2.967 135 S HA 0.109 4.579 4.470 -0.000 0.000 0.254 135 S C 1.107 175.720 174.600 0.021 0.000 1.089 135 S CA 0.382 58.598 58.200 0.027 0.000 1.183 135 S CB -0.047 63.172 63.200 0.032 0.000 0.848 135 S HN 0.662 nan 8.310 nan 0.000 0.477 136 G N 2.084 110.895 108.800 0.018 0.000 5.001 136 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.306 136 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.306 136 G C 0.577 175.484 174.900 0.011 0.000 1.491 136 G CA 0.238 45.347 45.100 0.014 0.000 1.324 136 G HN 1.047 nan 8.290 nan 0.000 0.829 137 A N 0.108 122.934 122.820 0.010 0.000 3.245 137 A HA 0.676 4.996 4.320 -0.000 0.000 0.282 137 A C -0.199 177.391 177.584 0.009 0.000 1.417 137 A CA 0.380 52.422 52.037 0.008 0.000 1.149 137 A CB 0.384 19.388 19.000 0.006 0.000 1.155 137 A HN 1.212 nan 8.150 nan 0.000 0.602 138 V N 1.260 121.180 119.914 0.009 0.000 2.447 138 V HA 0.206 4.326 4.120 -0.000 0.000 0.292 138 V C 0.020 176.117 176.094 0.004 0.000 1.021 138 V CA -0.471 61.834 62.300 0.009 0.000 0.850 138 V CB 1.555 33.386 31.823 0.012 0.000 1.005 138 V HN 0.734 nan 8.190 nan 0.000 0.426 139 D N 2.297 122.698 120.400 0.001 0.000 2.202 139 D HA 0.056 4.696 4.640 -0.000 0.000 0.214 139 D C 0.428 176.725 176.300 -0.006 0.000 0.967 139 D CA 1.467 55.465 54.000 -0.003 0.000 0.871 139 D CB 1.235 42.031 40.800 -0.007 0.000 1.020 139 D HN 0.384 nan 8.370 nan 0.000 0.474 140 V N 1.230 121.139 119.914 -0.008 0.000 2.577 140 V HA 0.416 4.536 4.120 -0.000 0.000 0.303 140 V C -1.240 174.846 176.094 -0.014 0.000 1.042 140 V CA -0.707 61.585 62.300 -0.012 0.000 0.872 140 V CB 1.937 33.751 31.823 -0.015 0.000 0.998 140 V HN -0.079 nan 8.190 nan 0.000 0.423 141 I N 6.332 126.881 120.570 -0.034 0.000 2.412 141 I HA 0.562 4.732 4.170 -0.000 0.000 0.296 141 I C -0.778 175.273 176.117 -0.110 0.000 0.987 141 I CA -0.877 60.384 61.300 -0.065 0.000 1.180 141 I CB 2.100 40.046 38.000 -0.090 0.000 1.340 141 I HN 0.391 nan 8.210 nan 0.000 0.455 142 V N 6.896 126.743 119.914 -0.111 0.000 2.483 142 V HA 0.339 4.459 4.120 -0.000 0.000 0.297 142 V C -0.343 175.544 176.094 -0.345 0.000 1.027 142 V CA -0.621 61.585 62.300 -0.156 0.000 0.855 142 V CB 2.315 34.160 31.823 0.036 0.000 0.995 142 V HN 0.461 nan 8.190 nan 0.000 0.424 143 V N 1.809 121.460 119.914 -0.439 0.000 2.398 143 V HA 0.747 4.867 4.120 -0.000 0.000 0.286 143 V C -0.689 175.193 176.094 -0.354 0.000 1.026 143 V CA -0.523 61.485 62.300 -0.487 0.000 0.868 143 V CB 1.679 33.097 31.823 -0.675 0.000 0.982 143 V HN 0.848 nan 8.190 nan 0.000 0.443 144 D N 2.674 122.840 120.400 -0.391 0.000 2.336 144 D HA 0.560 5.200 4.640 -0.000 0.000 0.248 144 D C -0.732 175.458 176.300 -0.184 0.000 1.326 144 D CA 0.246 54.082 54.000 -0.274 0.000 0.973 144 D CB 1.784 42.333 40.800 -0.417 0.000 1.255 144 D HN 0.839 nan 8.370 nan 0.000 0.558 145 S N 2.071 117.725 115.700 -0.076 0.000 2.627 145 S HA 0.388 4.858 4.470 -0.000 0.000 0.283 145 S C 1.160 175.784 174.600 0.041 0.000 1.127 145 S CA -0.631 57.559 58.200 -0.018 0.000 0.863 145 S CB 1.373 64.581 63.200 0.014 0.000 1.121 145 S HN 0.055 nan 8.310 nan 0.000 0.479 146 V N 2.707 122.683 119.914 0.103 0.000 2.277 146 V HA -0.259 3.861 4.120 -0.000 0.000 0.253 146 V C 2.895 179.034 176.094 0.075 0.000 1.067 146 V CA 2.840 65.218 62.300 0.131 0.000 1.047 146 V CB -1.543 30.360 31.823 0.133 0.000 0.649 146 V HN 0.935 nan 8.190 nan 0.000 0.447 147 A N -0.409 122.448 122.820 0.062 0.000 1.933 147 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 147 A C 2.217 179.834 177.584 0.055 0.000 1.175 147 A CA 1.928 53.995 52.037 0.049 0.000 0.628 147 A CB -0.584 18.442 19.000 0.042 0.000 0.814 147 A HN 0.668 nan 8.150 nan 0.000 0.444 148 A N -1.345 121.511 122.820 0.060 0.000 2.251 148 A HA 0.404 4.724 4.320 -0.000 0.000 0.209 148 A C 0.597 178.266 177.584 0.141 0.000 1.187 148 A CA 0.014 52.110 52.037 0.098 0.000 0.823 148 A CB -0.205 18.828 19.000 0.055 0.000 0.846 148 A HN 0.274 nan 8.150 nan 0.000 0.486 149 L N 2.651 123.919 121.223 0.075 0.000 2.416 149 L HA 0.113 4.453 4.340 -0.000 0.000 0.243 149 L C 0.847 177.714 176.870 -0.005 0.000 1.373 149 L CA 0.451 55.311 54.840 0.035 0.000 1.227 149 L CB -1.282 40.800 42.059 0.039 0.000 1.428 149 L HN 0.358 nan 8.230 nan 0.000 0.425 150 T N -0.231 114.315 114.554 -0.014 0.000 2.761 150 T HA 0.402 4.752 4.350 -0.000 0.000 0.296 150 T C -2.315 172.291 174.700 -0.156 0.000 0.934 150 T CA -1.856 60.215 62.100 -0.049 0.000 1.091 150 T CB 0.522 69.412 68.868 0.036 0.000 0.896 150 T HN 0.101 nan 8.240 nan 0.000 0.515 151 P HA 0.038 nan 4.420 nan 0.000 0.266 151 P C 0.914 178.138 177.300 -0.127 0.000 1.186 151 P CA -0.297 62.742 63.100 -0.102 0.000 0.767 151 P CB 0.607 32.269 31.700 -0.064 0.000 0.820 152 K N 2.514 122.850 120.400 -0.107 0.000 2.152 152 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 152 K C 1.762 178.324 176.600 -0.064 0.000 1.048 152 K CA 1.617 57.852 56.287 -0.086 0.000 0.933 152 K CB -0.472 32.004 32.500 -0.041 0.000 0.721 152 K HN 0.480 nan 8.250 nan 0.000 0.447 153 A N 1.478 124.266 122.820 -0.054 0.000 1.851 153 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 153 A C 1.916 179.467 177.584 -0.056 0.000 1.195 153 A CA 1.833 53.843 52.037 -0.045 0.000 0.622 153 A CB -0.641 18.337 19.000 -0.036 0.000 0.831 153 A HN 0.438 nan 8.150 nan 0.000 0.444 154 E N -0.535 119.628 120.200 -0.062 0.000 2.118 154 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 154 E C 1.824 178.383 176.600 -0.069 0.000 0.992 154 E CA 1.231 57.596 56.400 -0.058 0.000 0.804 154 E CB -0.321 29.350 29.700 -0.049 0.000 0.741 154 E HN 0.704 nan 8.360 nan 0.000 0.458 155 I N 0.780 121.294 120.570 -0.093 0.000 2.657 155 I HA -0.232 3.938 4.170 -0.000 0.000 0.261 155 I C 1.679 177.699 176.117 -0.160 0.000 1.212 155 I CA 0.974 62.205 61.300 -0.116 0.000 1.453 155 I CB -0.025 37.886 38.000 -0.148 0.000 1.092 155 I HN 0.008 nan 8.210 nan 0.000 0.452 156 E N -0.198 119.932 120.200 -0.117 0.000 2.473 156 E HA 0.153 4.503 4.350 -0.000 0.000 0.204 156 E C 1.550 178.105 176.600 -0.075 0.000 0.994 156 E CA 0.648 56.983 56.400 -0.107 0.000 0.945 156 E CB 0.576 30.230 29.700 -0.077 0.000 0.990 156 E HN 0.363 nan 8.360 nan 0.000 0.493 157 G N 1.091 109.853 108.800 -0.064 0.000 2.435 157 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.245 157 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.245 157 G C 0.214 175.090 174.900 -0.041 0.000 1.073 157 G CA 0.512 45.581 45.100 -0.051 0.000 0.638 157 G HN 0.352 nan 8.290 nan 0.000 0.521 158 E N 0.228 120.405 120.200 -0.038 0.000 5.554 158 E HA -0.132 4.218 4.350 -0.000 0.000 0.416 158 E C 1.240 177.827 176.600 -0.023 0.000 0.455 158 E CA 0.689 57.073 56.400 -0.028 0.000 1.025 158 E CB -0.517 29.168 29.700 -0.024 0.000 0.733 158 E HN 1.075 nan 8.360 nan 0.000 0.361 163 H N 1.403 120.469 119.070 -0.007 0.000 2.610 163 H HA -0.071 4.485 4.556 -0.000 0.000 0.298 163 H C 1.087 176.410 175.328 -0.009 0.000 1.035 163 H CA 2.601 58.645 56.048 -0.007 0.000 1.123 163 H CB 0.012 29.770 29.762 -0.006 0.000 1.447 163 H HN 0.602 nan 8.280 nan 0.000 0.659 164 M N -2.352 117.268 119.600 0.033 0.000 3.112 164 M HA 0.175 4.655 4.480 -0.000 0.000 0.229 164 M C 1.706 178.020 176.300 0.024 0.000 1.673 164 M CA 0.796 56.091 55.300 -0.010 0.000 1.303 164 M CB 0.786 33.357 32.600 -0.048 0.000 1.159 164 M HN 0.585 nan 8.290 nan 0.000 0.588 165 G N 0.964 109.788 108.800 0.040 0.000 2.186 165 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.266 165 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.266 165 G C 0.808 175.710 174.900 0.003 0.000 0.982 165 G CA 0.887 46.004 45.100 0.027 0.000 0.670 165 G HN 0.406 nan 8.290 nan 0.000 0.533 166 L N -0.579 120.641 121.223 -0.006 0.000 2.270 166 L HA 0.258 4.598 4.340 -0.000 0.000 0.210 166 L C 3.113 179.968 176.870 -0.024 0.000 1.104 166 L CA 1.232 56.062 54.840 -0.017 0.000 0.804 166 L CB -0.402 41.644 42.059 -0.022 0.000 0.937 166 L HN 0.356 nan 8.230 nan 0.000 0.450 167 A N 0.198 123.006 122.820 -0.021 0.000 1.898 167 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 167 A C 2.459 180.023 177.584 -0.034 0.000 1.183 167 A CA 1.162 53.183 52.037 -0.026 0.000 0.622 167 A CB -0.559 18.431 19.000 -0.017 0.000 0.824 167 A HN 0.309 nan 8.150 nan 0.000 0.444 168 A N -0.749 122.055 122.820 -0.026 0.000 2.186 168 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 168 A C 2.140 179.695 177.584 -0.048 0.000 1.159 168 A CA 1.411 53.426 52.037 -0.036 0.000 0.680 168 A CB -0.356 18.635 19.000 -0.016 0.000 0.787 168 A HN 0.525 nan 8.150 nan 0.000 0.467 169 R N -2.070 118.405 120.500 -0.042 0.000 2.250 169 R HA 0.252 4.592 4.340 -0.000 0.000 0.194 169 R C 2.074 178.345 176.300 -0.049 0.000 0.927 169 R CA 0.539 56.612 56.100 -0.044 0.000 1.052 169 R CB -0.183 30.099 30.300 -0.030 0.000 1.055 169 R HN 0.634 nan 8.270 nan 0.000 0.537 170 M N 0.379 119.951 119.600 -0.046 0.000 2.229 170 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 170 M C 1.623 177.886 176.300 -0.063 0.000 1.063 170 M CA 1.407 56.679 55.300 -0.046 0.000 1.114 170 M CB 0.156 32.731 32.600 -0.041 0.000 1.387 170 M HN 0.069 nan 8.290 nan 0.000 0.420 171 M N -0.383 119.168 119.600 -0.083 0.000 2.091 171 M HA -0.183 4.297 4.480 -0.000 0.000 0.259 171 M C 2.376 178.576 176.300 -0.167 0.000 1.076 171 M CA 1.730 56.951 55.300 -0.132 0.000 1.111 171 M CB -1.657 30.852 32.600 -0.152 0.000 1.291 171 M HN 0.328 nan 8.290 nan 0.000 0.417 172 S N -0.181 115.425 115.700 -0.155 0.000 2.444 172 S HA -0.228 4.242 4.470 -0.000 0.000 0.244 172 S C 1.634 176.152 174.600 -0.138 0.000 1.025 172 S CA 1.589 59.688 58.200 -0.168 0.000 0.995 172 S CB -0.072 63.065 63.200 -0.105 0.000 0.781 172 S HN 0.395 nan 8.310 nan 0.000 0.496 173 Q N 0.860 120.602 119.800 -0.097 0.000 1.447 173 Q HA 0.370 4.710 4.340 -0.000 0.000 0.583 173 Q C 1.653 177.622 176.000 -0.051 0.000 0.915 173 Q CA 1.306 57.074 55.803 -0.058 0.000 0.902 173 Q CB -0.549 28.166 28.738 -0.038 0.000 0.981 173 Q HN 0.396 nan 8.270 nan 0.000 0.359 174 A N 0.068 122.868 122.820 -0.032 0.000 2.150 174 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 174 A C 1.189 178.766 177.584 -0.011 0.000 1.356 174 A CA 0.381 52.415 52.037 -0.006 0.000 1.145 174 A CB -0.734 18.273 19.000 0.013 0.000 0.826 174 A HN 0.512 nan 8.150 nan 0.000 0.524 175 M N -0.801 118.759 119.600 -0.068 0.000 2.412 175 M HA 0.154 4.634 4.480 -0.000 0.000 0.263 175 M C 1.978 178.295 176.300 0.029 0.000 1.122 175 M CA 1.145 56.371 55.300 -0.124 0.000 1.179 175 M CB -0.255 32.101 32.600 -0.406 0.000 1.335 175 M HN 0.368 nan 8.290 nan 0.000 0.465 176 R N 0.586 121.147 120.500 0.103 0.000 2.094 176 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 176 R C 2.247 178.645 176.300 0.162 0.000 1.137 176 R CA 1.808 58.083 56.100 0.290 0.000 0.943 176 R CB -0.928 29.500 30.300 0.213 0.000 0.850 176 R HN 0.470 nan 8.270 nan 0.000 0.433 177 K N 0.519 120.976 120.400 0.096 0.000 2.160 177 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 177 K C 2.202 178.850 176.600 0.080 0.000 1.047 177 K CA 1.165 57.496 56.287 0.073 0.000 0.930 177 K CB -0.098 32.435 32.500 0.055 0.000 0.720 177 K HN 0.125 nan 8.250 nan 0.000 0.450 178 L N -0.183 121.096 121.223 0.094 0.000 2.127 178 L HA -0.041 4.299 4.340 -0.000 0.000 0.203 178 L C 2.441 179.383 176.870 0.119 0.000 1.080 178 L CA 0.915 55.816 54.840 0.102 0.000 0.768 178 L CB -0.431 41.698 42.059 0.117 0.000 0.924 178 L HN 0.276 nan 8.230 nan 0.000 0.444 179 A N 0.063 122.984 122.820 0.169 0.000 1.985 179 A HA -0.274 4.046 4.320 -0.000 0.000 0.223 179 A C 2.165 179.800 177.584 0.086 0.000 1.189 179 A CA 2.291 54.428 52.037 0.168 0.000 0.658 179 A CB -1.179 17.964 19.000 0.239 0.000 0.820 179 A HN 0.523 nan 8.150 nan 0.000 0.464 180 G N -1.657 107.186 108.800 0.073 0.000 2.656 180 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.211 180 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.211 180 G C 1.116 176.041 174.900 0.041 0.000 1.137 180 G CA 0.538 45.665 45.100 0.044 0.000 0.802 180 G HN 0.638 nan 8.290 nan 0.000 0.527 181 N N -0.094 118.636 118.700 0.050 0.000 2.575 181 N HA 0.155 4.895 4.740 -0.000 0.000 0.192 181 N C 1.520 177.054 175.510 0.040 0.000 1.200 181 N CA 0.048 53.124 53.050 0.044 0.000 0.897 181 N CB 0.091 38.607 38.487 0.049 0.000 0.990 181 N HN 0.296 nan 8.380 nan 0.000 0.449 182 L N -0.602 120.646 121.223 0.042 0.000 2.515 182 L HA 0.151 4.491 4.340 -0.000 0.000 0.202 182 L C 1.604 178.489 176.870 0.026 0.000 1.056 182 L CA 0.216 55.078 54.840 0.037 0.000 0.847 182 L CB -0.088 42.000 42.059 0.050 0.000 1.131 182 L HN -0.118 nan 8.230 nan 0.000 0.484 183 K N 0.436 120.850 120.400 0.024 0.000 2.442 183 K HA -0.238 4.082 4.320 -0.000 0.000 0.199 183 K C 1.928 178.535 176.600 0.013 0.000 1.044 183 K CA 1.108 57.404 56.287 0.014 0.000 0.941 183 K CB -0.026 32.480 32.500 0.010 0.000 0.759 183 K HN 0.184 nan 8.250 nan 0.000 0.472 184 Q N 0.151 119.961 119.800 0.017 0.000 2.062 184 Q HA -0.000 4.340 4.340 -0.000 0.000 0.196 184 Q C 1.253 177.261 176.000 0.013 0.000 0.967 184 Q CA 1.728 57.540 55.803 0.015 0.000 0.832 184 Q CB 0.254 29.003 28.738 0.019 0.000 0.899 184 Q HN 0.057 nan 8.270 nan 0.000 0.442 185 S N 0.086 115.795 115.700 0.015 0.000 2.540 185 S HA 0.184 4.654 4.470 -0.000 0.000 0.218 185 S C 0.058 174.663 174.600 0.008 0.000 0.977 185 S CA 0.248 58.456 58.200 0.012 0.000 0.918 185 S CB 0.217 63.426 63.200 0.015 0.000 0.806 185 S HN 0.503 nan 8.310 nan 0.000 0.496 186 N N 1.609 120.314 118.700 0.008 0.000 2.753 186 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 186 N C -0.804 174.709 175.510 0.005 0.000 1.097 186 N CA 0.918 53.971 53.050 0.005 0.000 0.786 186 N CB -1.870 36.618 38.487 0.001 0.000 1.137 186 N HN 0.320 nan 8.380 nan 0.000 0.566 187 T N 1.108 115.668 114.554 0.010 0.000 2.784 187 T HA 0.226 4.576 4.350 -0.000 0.000 0.291 187 T C 0.514 175.221 174.700 0.012 0.000 0.942 187 T CA -0.341 61.765 62.100 0.009 0.000 1.161 187 T CB 0.553 69.429 68.868 0.013 0.000 0.885 187 T HN 0.214 nan 8.240 nan 0.000 0.534 188 L N 5.941 127.166 121.223 0.004 0.000 2.265 188 L HA 0.582 4.922 4.340 -0.000 0.000 0.288 188 L C -0.846 176.023 176.870 -0.001 0.000 1.058 188 L CA -0.232 54.611 54.840 0.006 0.000 0.809 188 L CB 0.468 42.525 42.059 -0.003 0.000 1.179 188 L HN 0.591 nan 8.230 nan 0.000 0.429 189 L N 6.413 127.646 121.223 0.017 0.000 2.333 189 L HA 0.558 4.898 4.340 -0.000 0.000 0.280 189 L C -0.900 175.977 176.870 0.012 0.000 1.004 189 L CA -0.346 54.487 54.840 -0.013 0.000 0.820 189 L CB 1.470 43.545 42.059 0.027 0.000 1.247 189 L HN 0.652 nan 8.230 nan 0.000 0.416 190 I N 4.318 124.841 120.570 -0.079 0.000 2.382 190 I HA 0.305 4.475 4.170 -0.000 0.000 0.286 190 I C -0.969 175.076 176.117 -0.121 0.000 1.002 190 I CA -0.282 61.002 61.300 -0.027 0.000 1.135 190 I CB 1.344 39.335 38.000 -0.015 0.000 1.288 190 I HN 0.389 nan 8.210 nan 0.000 0.448 191 F N 7.120 127.059 119.950 -0.018 0.000 2.420 191 F HA 0.501 5.028 4.527 -0.000 0.000 0.342 191 F C 0.381 176.179 175.800 -0.003 0.000 1.113 191 F CA -0.699 57.288 58.000 -0.022 0.000 1.059 191 F CB 1.317 40.301 39.000 -0.027 0.000 1.128 191 F HN 0.214 nan 8.300 nan 0.000 0.475 192 I N 1.392 122.053 120.570 0.152 0.000 2.378 192 I HA 0.613 4.783 4.170 -0.000 0.000 0.291 192 I C -0.892 175.307 176.117 0.137 0.000 0.992 192 I CA -0.585 60.790 61.300 0.126 0.000 1.154 192 I CB 1.645 39.691 38.000 0.077 0.000 1.315 192 I HN 0.445 nan 8.210 nan 0.000 0.448 193 N N 3.915 122.706 118.700 0.151 0.000 2.697 193 N HA 0.500 5.240 4.740 -0.000 0.000 0.272 193 N C -1.399 174.185 175.510 0.125 0.000 1.381 193 N CA -0.502 52.635 53.050 0.145 0.000 0.797 193 N CB 2.215 40.804 38.487 0.170 0.000 1.523 193 N HN 0.738 nan 8.380 nan 0.000 0.518 212 G N 0.410 109.207 108.800 -0.005 0.000 2.482 212 G HA2 0.007 3.967 3.960 -0.000 0.000 0.201 212 G HA3 0.007 3.967 3.960 -0.000 0.000 0.201 212 G C 0.184 175.056 174.900 -0.047 0.000 3.137 212 G CA -0.193 44.885 45.100 -0.036 0.000 0.798 212 G HN 0.248 nan 8.290 nan 0.000 0.493 213 N N 0.474 119.163 118.700 -0.018 0.000 2.573 213 N HA -0.053 4.687 4.740 -0.000 0.000 0.187 213 N C 2.223 177.750 175.510 0.029 0.000 1.107 213 N CA 1.097 54.157 53.050 0.018 0.000 0.918 213 N CB 0.212 38.728 38.487 0.049 0.000 0.966 213 N HN 0.651 nan 8.380 nan 0.000 0.448 214 A N 1.132 123.919 122.820 -0.056 0.000 1.841 214 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 214 A C 2.095 179.586 177.584 -0.155 0.000 1.195 214 A CA 0.644 52.602 52.037 -0.132 0.000 0.611 214 A CB -0.852 18.001 19.000 -0.245 0.000 0.835 214 A HN 0.309 nan 8.150 nan 0.000 0.443 215 L N 0.363 121.452 121.223 -0.223 0.000 2.137 215 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 215 L C 2.304 179.100 176.870 -0.122 0.000 1.085 215 L CA 2.658 57.340 54.840 -0.263 0.000 0.760 215 L CB -0.518 41.302 42.059 -0.399 0.000 0.893 215 L HN 0.526 nan 8.230 nan 0.000 0.434 216 K N -1.264 119.090 120.400 -0.076 0.000 2.059 216 K HA -0.260 4.060 4.320 -0.000 0.000 0.212 216 K C 1.947 178.476 176.600 -0.119 0.000 1.050 216 K CA 2.302 58.517 56.287 -0.121 0.000 0.927 216 K CB -0.346 32.088 32.500 -0.110 0.000 0.714 216 K HN 0.381 nan 8.250 nan 0.000 0.447 217 F N -0.998 118.994 119.950 0.071 0.000 2.569 217 F HA 0.049 4.576 4.527 -0.000 0.000 0.295 217 F C 1.288 177.184 175.800 0.161 0.000 1.115 217 F CA 0.413 58.485 58.000 0.120 0.000 1.450 217 F CB 0.238 39.328 39.000 0.149 0.000 1.107 217 F HN 0.042 nan 8.300 nan 0.000 0.563 218 Y N -0.437 119.904 120.300 0.068 0.000 2.482 218 Y HA 0.364 4.914 4.550 -0.000 0.000 0.270 218 Y C 1.288 177.178 175.900 -0.016 0.000 1.152 218 Y CA -0.501 57.612 58.100 0.023 0.000 1.292 218 Y CB -0.124 38.336 38.460 -0.001 0.000 1.070 218 Y HN -0.139 nan 8.280 nan 0.000 0.528 219 A N 0.009 122.881 122.820 0.086 0.000 2.409 219 A HA 0.236 4.556 4.320 -0.000 0.000 0.262 219 A C 0.999 178.573 177.584 -0.017 0.000 1.113 219 A CA -0.122 51.920 52.037 0.009 0.000 0.790 219 A CB 0.414 19.376 19.000 -0.063 0.000 1.046 219 A HN 0.296 nan 8.150 nan 0.000 0.496 220 S N 0.758 116.453 115.700 -0.008 0.000 2.478 220 S HA 0.174 4.644 4.470 -0.000 0.000 0.222 220 S C 0.379 174.953 174.600 -0.043 0.000 1.008 220 S CA 0.442 58.628 58.200 -0.023 0.000 0.928 220 S CB 0.074 63.269 63.200 -0.009 0.000 0.781 220 S HN 0.562 nan 8.310 nan 0.000 0.518 221 V N 1.767 121.654 119.914 -0.046 0.000 2.851 221 V HA 0.463 4.583 4.120 -0.000 0.000 0.307 221 V C -1.123 174.920 176.094 -0.085 0.000 1.129 221 V CA -0.781 61.482 62.300 -0.062 0.000 0.932 221 V CB 2.293 34.094 31.823 -0.037 0.000 1.024 221 V HN 0.122 nan 8.190 nan 0.000 0.426 222 R N 4.521 124.946 120.500 -0.126 0.000 2.628 222 R HA 0.685 5.025 4.340 -0.000 0.000 0.288 222 R C -1.929 174.292 176.300 -0.131 0.000 0.980 222 R CA -0.909 55.081 56.100 -0.183 0.000 0.891 222 R CB 2.305 32.411 30.300 -0.324 0.000 1.188 222 R HN 0.322 nan 8.270 nan 0.000 0.450 223 L N 1.966 123.145 121.223 -0.072 0.000 2.362 223 L HA 0.310 4.650 4.340 -0.000 0.000 0.275 223 L C -0.343 176.670 176.870 0.237 0.000 0.998 223 L CA -0.532 54.342 54.840 0.057 0.000 0.820 223 L CB 1.620 43.726 42.059 0.078 0.000 1.270 223 L HN 0.546 nan 8.230 nan 0.000 0.415 224 D N 3.465 124.023 120.400 0.262 0.000 2.540 224 D HA 0.253 4.893 4.640 -0.000 0.000 0.251 224 D C -0.068 176.304 176.300 0.119 0.000 1.159 224 D CA -0.154 54.020 54.000 0.291 0.000 0.974 224 D CB 0.260 41.213 40.800 0.255 0.000 0.996 224 D HN 0.413 nan 8.370 nan 0.000 0.512 225 I N 2.163 122.800 120.570 0.111 0.000 2.529 225 I HA 0.303 4.473 4.170 -0.000 0.000 0.284 225 I C -0.230 175.885 176.117 -0.002 0.000 1.082 225 I CA -0.262 61.076 61.300 0.063 0.000 1.406 225 I CB 0.301 38.356 38.000 0.092 0.000 1.405 225 I HN 0.179 nan 8.210 nan 0.000 0.548 226 R N 6.630 127.113 120.500 -0.028 0.000 2.566 226 R HA 0.359 4.699 4.340 -0.000 0.000 0.271 226 R C -1.187 175.076 176.300 -0.062 0.000 1.071 226 R CA -0.895 55.176 56.100 -0.048 0.000 0.915 226 R CB 1.405 31.674 30.300 -0.052 0.000 1.228 226 R HN 0.667 nan 8.270 nan 0.000 0.449 227 R N 4.355 124.825 120.500 -0.051 0.000 2.267 227 R HA 0.222 4.562 4.340 -0.000 0.000 0.319 227 R C 0.780 177.055 176.300 -0.042 0.000 1.067 227 R CA 0.144 56.214 56.100 -0.050 0.000 0.936 227 R CB 0.358 30.642 30.300 -0.026 0.000 1.006 227 R HN 0.673 nan 8.270 nan 0.000 0.452 228 I N 0.541 121.082 120.570 -0.049 0.000 4.338 228 I HA 0.493 4.663 4.170 -0.000 0.000 0.329 228 I C 0.336 176.436 176.117 -0.028 0.000 1.378 228 I CA -0.287 60.991 61.300 -0.036 0.000 1.170 228 I CB 1.300 39.276 38.000 -0.039 0.000 1.206 228 I HN 0.630 nan 8.210 nan 0.000 0.432 229 G N 1.251 110.035 108.800 -0.027 0.000 3.111 229 G HA2 0.838 4.798 3.960 -0.000 0.000 0.158 229 G HA3 0.838 4.798 3.960 -0.000 0.000 0.158 229 G C -1.412 173.482 174.900 -0.009 0.000 1.161 229 G CA -0.207 44.883 45.100 -0.017 0.000 1.025 229 G HN 0.726 nan 8.290 nan 0.000 0.619 230 A N -1.878 120.937 122.820 -0.009 0.000 2.592 230 A HA 0.569 4.889 4.320 -0.000 0.000 0.300 230 A C -1.738 175.838 177.584 -0.014 0.000 0.994 230 A CA -0.174 51.859 52.037 -0.006 0.000 0.707 230 A CB 0.696 19.689 19.000 -0.012 0.000 1.273 230 A HN 1.579 nan 8.150 nan 0.000 0.413 231 V N 1.913 121.816 119.914 -0.020 0.000 2.555 231 V HA 0.604 4.724 4.120 -0.000 0.000 0.302 231 V C -0.038 176.029 176.094 -0.046 0.000 1.038 231 V CA -0.613 61.674 62.300 -0.021 0.000 0.887 231 V CB 1.789 33.611 31.823 -0.001 0.000 0.991 231 V HN 0.871 nan 8.190 nan 0.000 0.434 232 K N 2.393 122.770 120.400 -0.038 0.000 2.267 232 K HA 0.606 4.926 4.320 -0.000 0.000 0.246 232 K C -0.546 176.031 176.600 -0.039 0.000 0.954 232 K CA -0.689 55.569 56.287 -0.048 0.000 0.824 232 K CB 2.260 34.737 32.500 -0.039 0.000 1.167 232 K HN 0.610 nan 8.250 nan 0.000 0.431 233 E N 1.232 121.406 120.200 -0.044 0.000 2.698 233 E HA 0.137 4.487 4.350 -0.000 0.000 0.242 233 E C 0.419 177.000 176.600 -0.030 0.000 1.243 233 E CA -0.160 56.219 56.400 -0.035 0.000 1.483 233 E CB 0.402 30.081 29.700 -0.036 0.000 1.495 233 E HN 0.953 nan 8.360 nan 0.000 0.440 234 G N 1.942 110.727 108.800 -0.026 0.000 4.148 234 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.221 234 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.221 234 G C 0.840 175.725 174.900 -0.025 0.000 1.373 234 G CA 0.237 45.324 45.100 -0.022 0.000 0.940 234 G HN 0.446 nan 8.290 nan 0.000 0.610 235 E N 1.873 122.055 120.200 -0.030 0.000 2.812 235 E HA 0.278 4.628 4.350 -0.000 0.000 0.211 235 E C -0.029 176.546 176.600 -0.042 0.000 0.986 235 E CA -0.025 56.356 56.400 -0.031 0.000 1.119 235 E CB 0.222 29.907 29.700 -0.025 0.000 1.046 235 E HN 0.668 nan 8.360 nan 0.000 0.474 236 N N -1.129 117.538 118.700 -0.056 0.000 2.525 236 N HA 0.120 4.860 4.740 -0.000 0.000 0.270 236 N C 1.012 176.453 175.510 -0.116 0.000 1.321 236 N CA -0.370 52.632 53.050 -0.080 0.000 0.797 236 N CB 2.402 40.840 38.487 -0.081 0.000 1.529 236 N HN -0.180 nan 8.380 nan 0.000 0.491 237 V N -1.042 118.772 119.914 -0.167 0.000 2.244 237 V HA -0.127 3.993 4.120 -0.000 0.000 0.244 237 V C 1.812 177.692 176.094 -0.358 0.000 1.042 237 V CA 1.402 63.553 62.300 -0.249 0.000 1.006 237 V CB -0.966 30.683 31.823 -0.291 0.000 0.641 237 V HN 0.581 nan 8.190 nan 0.000 0.446 238 V N 1.303 120.929 119.914 -0.479 0.000 2.045 238 V HA -0.354 3.766 4.120 -0.000 0.000 0.178 238 V C 1.342 177.245 176.094 -0.318 0.000 0.952 238 V CA 2.080 64.094 62.300 -0.475 0.000 1.254 238 V CB -1.437 30.274 31.823 -0.186 0.000 1.417 238 V HN 1.101 nan 8.190 nan 0.000 0.581 239 G N -2.344 106.337 108.800 -0.198 0.000 2.601 239 G HA2 0.611 4.571 3.960 -0.000 0.000 0.317 239 G HA3 0.611 4.571 3.960 -0.000 0.000 0.317 239 G C -0.658 174.289 174.900 0.079 0.000 1.246 239 G CA 0.350 45.446 45.100 -0.007 0.000 1.012 239 G HN 0.571 nan 8.290 nan 0.000 0.494 240 S N -0.325 115.437 115.700 0.103 0.000 2.417 240 S HA 0.143 4.613 4.470 -0.000 0.000 0.189 240 S C -0.729 173.873 174.600 0.004 0.000 1.005 240 S CA -0.667 57.585 58.200 0.086 0.000 1.116 240 S CB 1.216 64.506 63.200 0.149 0.000 1.343 240 S HN 0.740 nan 8.310 nan 0.000 0.406 241 E N 2.246 122.433 120.200 -0.023 0.000 2.406 241 E HA 0.247 4.597 4.350 -0.000 0.000 0.258 241 E C -0.326 176.189 176.600 -0.142 0.000 1.043 241 E CA 0.633 56.991 56.400 -0.071 0.000 0.929 241 E CB 0.346 30.022 29.700 -0.041 0.000 0.969 241 E HN 0.392 nan 8.360 nan 0.000 0.462 242 T N 5.552 119.926 114.554 -0.300 0.000 2.885 242 T HA 0.489 4.839 4.350 -0.000 0.000 0.285 242 T C -0.556 173.872 174.700 -0.452 0.000 1.019 242 T CA -0.843 61.006 62.100 -0.418 0.000 1.010 242 T CB 1.254 69.747 68.868 -0.625 0.000 1.022 242 T HN 0.273 nan 8.240 nan 0.000 0.466 243 R N 2.316 122.663 120.500 -0.255 0.000 2.483 243 R HA 0.544 4.884 4.340 -0.000 0.000 0.303 243 R C -1.985 174.299 176.300 -0.026 0.000 0.987 243 R CA -0.403 55.630 56.100 -0.112 0.000 0.881 243 R CB 1.316 31.582 30.300 -0.055 0.000 1.177 243 R HN 0.485 nan 8.270 nan 0.000 0.451 244 V N 4.882 124.836 119.914 0.066 0.000 2.417 244 V HA 0.403 4.523 4.120 -0.000 0.000 0.291 244 V C -0.041 176.119 176.094 0.110 0.000 1.024 244 V CA -0.711 61.666 62.300 0.129 0.000 0.861 244 V CB 1.921 33.898 31.823 0.257 0.000 0.985 244 V HN 0.561 nan 8.190 nan 0.000 0.436 245 K N 3.476 123.930 120.400 0.091 0.000 2.182 245 K HA 0.650 4.970 4.320 -0.000 0.000 0.262 245 K C -1.129 175.500 176.600 0.048 0.000 0.957 245 K CA -0.584 55.745 56.287 0.070 0.000 0.842 245 K CB 1.949 34.487 32.500 0.063 0.000 1.099 245 K HN 0.458 nan 8.250 nan 0.000 0.438 246 V N 5.796 125.720 119.914 0.017 0.000 2.353 246 V HA 0.042 4.162 4.120 -0.000 0.000 0.264 246 V C 0.864 176.891 176.094 -0.113 0.000 1.049 246 V CA -0.212 62.071 62.300 -0.029 0.000 0.896 246 V CB 1.020 32.835 31.823 -0.014 0.000 1.025 246 V HN 0.724 nan 8.190 nan 0.000 0.475 247 V N 3.824 123.649 119.914 -0.149 0.000 2.575 247 V HA 0.157 4.277 4.120 -0.000 0.000 0.242 247 V C 0.906 176.815 176.094 -0.309 0.000 1.045 247 V CA 0.674 62.814 62.300 -0.267 0.000 1.065 247 V CB -0.157 31.539 31.823 -0.211 0.000 0.717 247 V HN 0.698 nan 8.190 nan 0.000 0.467 248 K N 1.550 121.812 120.400 -0.231 0.000 2.358 248 K HA 0.460 4.780 4.320 -0.000 0.000 0.260 248 K C -1.052 175.471 176.600 -0.128 0.000 0.956 248 K CA -0.323 55.844 56.287 -0.200 0.000 0.834 248 K CB 0.911 33.279 32.500 -0.220 0.000 1.102 248 K HN 0.192 nan 8.250 nan 0.000 0.431 249 N N 3.300 121.942 118.700 -0.097 0.000 2.594 249 N HA 0.181 4.921 4.740 -0.000 0.000 0.280 249 N C -0.925 174.566 175.510 -0.031 0.000 1.156 249 N CA -0.363 52.656 53.050 -0.053 0.000 0.831 249 N CB 1.147 39.614 38.487 -0.034 0.000 1.379 249 N HN 0.534 nan 8.380 nan 0.000 0.536 250 K N 2.152 122.535 120.400 -0.029 0.000 2.358 250 K HA 0.255 4.575 4.320 -0.000 0.000 0.197 250 K C 0.829 177.423 176.600 -0.009 0.000 1.025 250 K CA 0.083 56.361 56.287 -0.015 0.000 1.104 250 K CB 0.690 33.179 32.500 -0.017 0.000 0.855 250 K HN 0.378 nan 8.250 nan 0.000 0.531 251 I N 0.292 120.855 120.570 -0.011 0.000 2.731 251 I HA -0.033 4.137 4.170 -0.000 0.000 0.260 251 I C 1.134 177.250 176.117 -0.002 0.000 1.138 251 I CA 0.581 61.876 61.300 -0.008 0.000 1.461 251 I CB 0.404 38.397 38.000 -0.012 0.000 1.128 251 I HN 0.055 nan 8.210 nan 0.000 0.438 252 A N -0.557 122.264 122.820 0.001 0.000 2.770 252 A HA 0.872 5.192 4.320 -0.000 0.000 0.183 252 A C -0.547 177.050 177.584 0.021 0.000 1.077 252 A CA 0.239 52.281 52.037 0.009 0.000 1.468 252 A CB -0.483 18.522 19.000 0.008 0.000 2.037 252 A HN 0.016 nan 8.150 nan 0.000 0.730 253 A N 0.885 123.723 122.820 0.030 0.000 2.303 253 A HA 0.745 5.065 4.320 -0.000 0.000 0.320 253 A C -2.739 174.883 177.584 0.064 0.000 1.192 253 A CA -1.540 50.529 52.037 0.054 0.000 0.821 253 A CB 0.263 19.297 19.000 0.057 0.000 1.188 253 A HN 0.320 nan 8.150 nan 0.000 0.492 254 P HA 0.540 nan 4.420 nan 0.000 0.293 254 P C 0.172 177.584 177.300 0.186 0.000 1.298 254 P CA -0.207 62.927 63.100 0.056 0.000 0.757 254 P CB 0.082 31.779 31.700 -0.006 0.000 1.262 255 F N -4.546 115.407 119.950 0.005 0.000 2.666 255 F HA -0.250 4.277 4.527 -0.000 0.000 0.458 255 F C 0.703 176.515 175.800 0.019 0.000 0.561 255 F CA 1.216 59.224 58.000 0.013 0.000 1.129 255 F CB -1.570 37.436 39.000 0.010 0.000 1.751 255 F HN 0.191 nan 8.300 nan 0.000 0.275 256 K N 1.836 122.331 120.400 0.158 0.000 2.249 256 K HA 0.372 4.692 4.320 -0.000 0.000 0.280 256 K C 0.334 176.985 176.600 0.085 0.000 1.033 256 K CA -0.277 56.076 56.287 0.111 0.000 0.946 256 K CB 0.951 33.501 32.500 0.083 0.000 1.005 256 K HN 0.368 nan 8.250 nan 0.000 0.469 257 Q N 0.796 120.647 119.800 0.086 0.000 2.351 257 Q HA 0.768 5.108 4.340 -0.000 0.000 0.273 257 Q C -1.463 174.590 176.000 0.088 0.000 1.077 257 Q CA -1.213 54.639 55.803 0.082 0.000 0.843 257 Q CB 2.125 30.910 28.738 0.080 0.000 1.367 257 Q HN 0.523 nan 8.270 nan 0.000 0.449 258 A N 1.601 124.487 122.820 0.111 0.000 2.486 258 A HA 0.571 4.891 4.320 -0.000 0.000 0.300 258 A C -1.412 176.296 177.584 0.207 0.000 1.048 258 A CA -0.784 51.337 52.037 0.141 0.000 0.696 258 A CB 1.787 20.866 19.000 0.132 0.000 1.278 258 A HN 0.794 nan 8.150 nan 0.000 0.405 259 E N 0.596 120.919 120.200 0.204 0.000 2.227 259 E HA 0.775 5.125 4.350 -0.000 0.000 0.268 259 E C -0.906 175.879 176.600 0.308 0.000 0.907 259 E CA -0.459 56.041 56.400 0.167 0.000 0.786 259 E CB 2.120 31.863 29.700 0.072 0.000 1.191 259 E HN 0.699 nan 8.360 nan 0.000 0.411 260 F N -1.395 118.582 119.950 0.045 0.000 3.461 260 F HA 0.450 4.977 4.527 0.000 0.000 0.328 260 F C -1.597 174.235 175.800 0.053 0.000 1.160 260 F CA -1.059 56.972 58.000 0.051 0.000 0.879 260 F CB 1.180 40.214 39.000 0.055 0.000 1.559 260 F HN 0.203 nan 8.300 nan 0.000 0.510 261 Q N 0.763 120.736 119.800 0.288 0.000 2.421 261 Q HA 0.723 5.063 4.340 -0.000 0.000 0.280 261 Q C -1.701 174.447 176.000 0.246 0.000 1.085 261 Q CA -0.919 54.969 55.803 0.142 0.000 0.807 261 Q CB 3.509 32.327 28.738 0.132 0.000 1.405 261 Q HN 0.588 nan 8.270 nan 0.000 0.419 262 I N 2.134 122.798 120.570 0.157 0.000 2.466 262 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 262 I C -1.315 174.929 176.117 0.212 0.000 1.026 262 I CA -0.831 60.590 61.300 0.203 0.000 1.078 262 I CB 1.591 39.697 38.000 0.176 0.000 1.249 262 I HN 0.273 nan 8.210 nan 0.000 0.429 263 L N 6.365 127.722 121.223 0.222 0.000 2.307 263 L HA 0.357 4.697 4.340 -0.000 0.000 0.284 263 L C -0.508 176.558 176.870 0.327 0.000 1.023 263 L CA -0.241 54.745 54.840 0.244 0.000 0.810 263 L CB 0.755 42.913 42.059 0.165 0.000 1.231 263 L HN 0.337 nan 8.230 nan 0.000 0.423 264 Y N 3.708 124.059 120.300 0.084 0.000 2.854 264 Y HA 0.184 4.734 4.550 -0.000 0.000 0.372 264 Y C 1.507 177.476 175.900 0.115 0.000 1.330 264 Y CA 0.707 58.848 58.100 0.068 0.000 1.765 264 Y CB -0.037 38.434 38.460 0.018 0.000 1.277 264 Y HN 0.874 nan 8.280 nan 0.000 0.498 265 G N 2.750 111.752 108.800 0.336 0.000 2.130 265 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 265 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 265 G C 0.302 175.350 174.900 0.247 0.000 0.999 265 G CA 0.332 45.639 45.100 0.346 0.000 0.686 265 G HN 0.662 nan 8.290 nan 0.000 0.515 266 E N -1.671 118.666 120.200 0.229 0.000 2.640 266 E HA 0.427 4.777 4.350 -0.000 0.000 0.197 266 E C 1.240 177.879 176.600 0.065 0.000 0.925 266 E CA 0.834 57.300 56.400 0.109 0.000 1.604 266 E CB 0.830 30.592 29.700 0.104 0.000 1.769 266 E HN 1.773 nan 8.360 nan 0.000 0.965 267 G N 1.373 110.244 108.800 0.119 0.000 2.698 267 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.225 267 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.225 267 G C -0.199 174.780 174.900 0.131 0.000 1.345 267 G CA -0.382 44.768 45.100 0.085 0.000 0.871 267 G HN 0.152 nan 8.290 nan 0.000 0.540 268 I N 0.387 121.035 120.570 0.130 0.000 2.880 268 I HA 0.001 4.171 4.170 -0.000 0.000 0.296 268 I C 0.745 176.957 176.117 0.159 0.000 1.220 268 I CA 0.450 61.852 61.300 0.170 0.000 1.435 268 I CB 0.310 38.344 38.000 0.057 0.000 1.339 268 I HN 0.481 nan 8.210 nan 0.000 0.583 269 N N 5.201 124.011 118.700 0.182 0.000 2.898 269 N HA 0.205 4.945 4.740 -0.000 0.000 0.245 269 N C 0.478 176.041 175.510 0.089 0.000 1.185 269 N CA -0.541 52.583 53.050 0.122 0.000 0.879 269 N CB 0.252 38.811 38.487 0.120 0.000 1.157 269 N HN 0.472 nan 8.380 nan 0.000 0.503 270 F N 0.670 120.549 119.950 -0.118 0.000 2.407 270 F HA 0.074 4.601 4.527 -0.000 0.000 0.299 270 F C 0.758 176.467 175.800 -0.152 0.000 1.097 270 F CA 0.435 58.326 58.000 -0.182 0.000 1.422 270 F CB -0.307 38.530 39.000 -0.272 0.000 1.067 270 F HN 0.175 nan 8.300 nan 0.000 0.539 271 Y N 1.947 121.948 120.300 -0.498 0.000 2.200 271 Y HA 0.045 4.595 4.550 -0.000 0.000 0.290 271 Y C 2.799 178.606 175.900 -0.155 0.000 1.137 271 Y CA 0.968 58.844 58.100 -0.375 0.000 1.163 271 Y CB -1.257 36.958 38.460 -0.409 0.000 0.988 271 Y HN 0.190 nan 8.280 nan 0.000 0.518 272 G N 0.504 109.337 108.800 0.055 0.000 2.491 272 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 272 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 272 G C 1.462 176.396 174.900 0.057 0.000 1.180 272 G CA 1.400 46.529 45.100 0.049 0.000 0.774 272 G HN 0.602 nan 8.290 nan 0.000 0.562 273 E N 0.009 120.260 120.200 0.085 0.000 2.274 273 E HA 0.026 4.376 4.350 -0.000 0.000 0.194 273 E C 2.341 178.993 176.600 0.087 0.000 0.996 273 E CA 0.410 56.869 56.400 0.099 0.000 0.840 273 E CB -0.240 29.536 29.700 0.127 0.000 0.772 273 E HN 0.342 nan 8.360 nan 0.000 0.491 274 L N 1.714 122.982 121.223 0.076 0.000 1.994 274 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 274 L C 2.346 179.264 176.870 0.079 0.000 1.071 274 L CA 1.419 56.307 54.840 0.080 0.000 0.745 274 L CB -0.626 41.474 42.059 0.068 0.000 0.892 274 L HN 0.052 nan 8.230 nan 0.000 0.431 275 V N 0.213 120.161 119.914 0.056 0.000 2.231 275 V HA -0.404 3.716 4.120 -0.000 0.000 0.250 275 V C 2.345 178.500 176.094 0.101 0.000 1.058 275 V CA 2.236 64.564 62.300 0.046 0.000 1.022 275 V CB -1.026 30.753 31.823 -0.073 0.000 0.640 275 V HN 0.467 nan 8.190 nan 0.000 0.445 276 D N -0.260 120.195 120.400 0.091 0.000 2.190 276 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 276 D C 1.903 178.271 176.300 0.112 0.000 0.992 276 D CA 1.147 55.217 54.000 0.116 0.000 0.854 276 D CB -0.196 40.663 40.800 0.099 0.000 0.936 276 D HN 0.278 nan 8.370 nan 0.000 0.462 277 L N 0.251 121.535 121.223 0.101 0.000 2.179 277 L HA 0.087 4.427 4.340 -0.000 0.000 0.208 277 L C 2.551 179.482 176.870 0.101 0.000 1.096 277 L CA 1.198 56.094 54.840 0.093 0.000 0.779 277 L CB -1.228 40.881 42.059 0.083 0.000 0.922 277 L HN 0.029 nan 8.230 nan 0.000 0.443 278 G N -1.250 107.620 108.800 0.116 0.000 2.443 278 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.219 278 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.219 278 G C 1.655 176.641 174.900 0.144 0.000 1.131 278 G CA 0.863 46.044 45.100 0.135 0.000 0.775 278 G HN 0.235 nan 8.290 nan 0.000 0.547 279 V N 0.662 120.667 119.914 0.152 0.000 2.237 279 V HA -0.137 3.983 4.120 -0.000 0.000 0.245 279 V C 2.694 178.848 176.094 0.100 0.000 1.046 279 V CA 2.102 64.488 62.300 0.144 0.000 1.007 279 V CB -0.345 31.578 31.823 0.167 0.000 0.638 279 V HN 0.302 nan 8.190 nan 0.000 0.445 280 K N -0.246 120.208 120.400 0.090 0.000 2.283 280 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 280 K C 1.027 177.666 176.600 0.065 0.000 1.048 280 K CA 0.858 57.187 56.287 0.070 0.000 0.948 280 K CB 0.084 32.623 32.500 0.065 0.000 0.742 280 K HN 0.400 nan 8.250 nan 0.000 0.458 281 E N 1.129 121.374 120.200 0.076 0.000 2.405 281 E HA 0.029 4.379 4.350 -0.000 0.000 0.214 281 E C 0.034 176.680 176.600 0.077 0.000 1.101 281 E CA -0.132 56.311 56.400 0.071 0.000 1.254 281 E CB 0.672 30.415 29.700 0.072 0.000 1.240 281 E HN 0.136 nan 8.360 nan 0.000 0.439 282 K N -0.997 119.447 120.400 0.073 0.000 6.581 282 K HA -0.292 4.028 4.320 -0.000 0.000 0.456 282 K C 1.649 178.305 176.600 0.094 0.000 0.402 282 K CA 1.582 57.910 56.287 0.069 0.000 1.893 282 K CB -1.913 30.618 32.500 0.052 0.000 0.843 282 K HN 0.263 nan 8.250 nan 0.000 0.751 283 L N 0.857 122.150 121.223 0.118 0.000 2.123 283 L HA -0.142 4.198 4.340 -0.000 0.000 0.217 283 L C 1.381 178.397 176.870 0.243 0.000 1.081 283 L CA 1.615 56.559 54.840 0.174 0.000 0.772 283 L CB -0.252 41.927 42.059 0.201 0.000 0.890 283 L HN 0.243 nan 8.230 nan 0.000 0.437 284 I N -0.906 119.795 120.570 0.219 0.000 2.412 284 I HA 0.177 4.347 4.170 -0.000 0.000 0.296 284 I C -0.142 176.077 176.117 0.170 0.000 0.987 284 I CA -0.397 61.052 61.300 0.248 0.000 1.180 284 I CB 1.662 39.821 38.000 0.265 0.000 1.340 284 I HN -0.038 nan 8.210 nan 0.000 0.455 285 E N 5.367 125.654 120.200 0.146 0.000 2.166 285 E HA 0.293 4.643 4.350 -0.000 0.000 0.275 285 E C -0.757 175.843 176.600 -0.001 0.000 0.941 285 E CA -0.843 55.595 56.400 0.064 0.000 0.784 285 E CB 1.953 31.679 29.700 0.043 0.000 1.115 285 E HN 0.293 nan 8.360 nan 0.000 0.399 286 K N 2.152 122.498 120.400 -0.089 0.000 2.268 286 K HA 0.362 4.682 4.320 -0.000 0.000 0.276 286 K C -0.776 175.730 176.600 -0.157 0.000 1.080 286 K CA -0.265 55.862 56.287 -0.266 0.000 0.910 286 K CB 0.836 33.152 32.500 -0.307 0.000 1.163 286 K HN 0.566 nan 8.250 nan 0.000 0.465 287 A N 3.817 126.562 122.820 -0.125 0.000 3.181 287 A HA 0.401 4.721 4.320 -0.000 0.000 0.293 287 A C 0.925 178.488 177.584 -0.035 0.000 1.346 287 A CA 0.298 52.306 52.037 -0.049 0.000 1.018 287 A CB -0.445 18.553 19.000 -0.003 0.000 1.093 287 A HN 1.082 nan 8.150 nan 0.000 0.629 288 G N 0.107 108.859 108.800 -0.080 0.000 5.347 288 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.299 288 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.299 288 G C 1.401 176.274 174.900 -0.046 0.000 1.492 288 G CA 0.870 45.943 45.100 -0.045 0.000 0.991 288 G HN 1.593 nan 8.290 nan 0.000 0.749 289 A N -1.089 121.755 122.820 0.041 0.000 1.969 289 A HA 0.524 4.844 4.320 -0.000 0.000 0.205 289 A C 0.743 178.403 177.584 0.127 0.000 1.364 289 A CA 0.860 52.948 52.037 0.085 0.000 0.756 289 A CB -0.104 18.975 19.000 0.132 0.000 0.988 289 A HN 0.693 nan 8.150 nan 0.000 0.490 290 W N 0.542 121.839 121.300 -0.005 0.000 2.446 290 W HA 0.446 5.106 4.660 -0.000 0.000 0.316 290 W C -0.553 175.971 176.519 0.008 0.000 1.376 290 W CA 0.315 57.679 57.345 0.032 0.000 1.300 290 W CB -0.280 29.177 29.460 -0.003 0.000 1.351 290 W HN 0.270 nan 8.180 nan 0.000 0.530 291 Y N 2.235 122.594 120.300 0.099 0.000 2.301 291 Y HA 0.346 4.896 4.550 -0.000 0.000 0.328 291 Y C 0.912 176.864 175.900 0.087 0.000 1.242 291 Y CA 0.322 58.465 58.100 0.072 0.000 1.323 291 Y CB 1.102 39.572 38.460 0.018 0.000 1.266 291 Y HN 0.172 nan 8.280 nan 0.000 0.527 292 S N 0.875 116.708 115.700 0.222 0.000 2.599 292 S HA 0.377 4.847 4.470 -0.000 0.000 0.294 292 S C -1.844 172.897 174.600 0.234 0.000 1.094 292 S CA -0.607 57.694 58.200 0.168 0.000 0.931 292 S CB 1.093 64.356 63.200 0.103 0.000 1.093 292 S HN 0.488 nan 8.310 nan 0.000 0.488 293 Y N 2.230 122.555 120.300 0.042 0.000 2.470 293 Y HA 0.407 4.957 4.550 -0.000 0.000 0.352 293 Y C -0.558 175.373 175.900 0.051 0.000 0.967 293 Y CA -0.793 57.346 58.100 0.065 0.000 1.121 293 Y CB -0.498 38.017 38.460 0.091 0.000 1.149 293 Y HN 0.792 nan 8.280 nan 0.000 0.641 294 K N 2.285 122.631 120.400 -0.089 0.000 4.868 294 K HA -0.200 4.120 4.320 -0.000 0.000 0.314 294 K C 1.075 177.621 176.600 -0.091 0.000 0.932 294 K CA 1.052 57.261 56.287 -0.130 0.000 0.998 294 K CB -1.208 31.156 32.500 -0.227 0.000 1.704 294 K HN 1.101 nan 8.250 nan 0.000 0.426 295 G N 0.817 109.594 108.800 -0.038 0.000 2.900 295 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.223 295 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.223 295 G C -0.090 174.806 174.900 -0.006 0.000 1.293 295 G CA 0.221 45.305 45.100 -0.026 0.000 0.792 295 G HN 0.484 nan 8.290 nan 0.000 0.527 296 E N 2.788 122.993 120.200 0.009 0.000 2.059 296 E HA 0.198 4.548 4.350 -0.000 0.000 0.262 296 E C 0.453 177.062 176.600 0.016 0.000 1.230 296 E CA 0.245 56.667 56.400 0.037 0.000 0.951 296 E CB 0.135 29.902 29.700 0.112 0.000 1.038 296 E HN 0.472 nan 8.360 nan 0.000 0.425 297 K N 2.969 123.370 120.400 0.002 0.000 2.412 297 K HA 0.055 4.375 4.320 -0.000 0.000 0.281 297 K C 1.497 178.003 176.600 -0.157 0.000 1.027 297 K CA 0.079 56.388 56.287 0.036 0.000 0.989 297 K CB 0.690 33.288 32.500 0.163 0.000 0.935 297 K HN 0.506 nan 8.250 nan 0.000 0.475 298 I N -1.618 118.812 120.570 -0.232 0.000 3.718 298 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 298 I C 0.752 176.553 176.117 -0.526 0.000 1.220 298 I CA -0.170 60.706 61.300 -0.706 0.000 1.381 298 I CB 0.790 38.375 38.000 -0.692 0.000 1.238 298 I HN 0.606 nan 8.210 nan 0.000 0.448 299 G N 1.151 109.776 108.800 -0.293 0.000 2.328 299 G HA2 0.225 4.185 3.960 -0.000 0.000 0.295 299 G HA3 0.225 4.185 3.960 -0.000 0.000 0.295 299 G C -2.104 172.453 174.900 -0.573 0.000 1.413 299 G CA -0.616 44.237 45.100 -0.412 0.000 0.817 299 G HN 0.210 nan 8.290 nan 0.000 0.546 300 Q N 0.288 119.649 119.800 -0.731 0.000 2.340 300 Q HA 0.531 4.871 4.340 -0.000 0.000 0.259 300 Q C 0.534 176.358 176.000 -0.292 0.000 0.964 300 Q CA 0.585 55.943 55.803 -0.741 0.000 0.900 300 Q CB 0.893 29.070 28.738 -0.934 0.000 1.228 300 Q HN 2.318 nan 8.270 nan 0.000 0.449 301 G N 2.962 111.713 108.800 -0.082 0.000 2.698 301 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.225 301 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.225 301 G C -0.120 174.758 174.900 -0.037 0.000 1.345 301 G CA -0.037 45.080 45.100 0.029 0.000 0.871 301 G HN 0.667 nan 8.290 nan 0.000 0.540 302 K N -0.081 120.283 120.400 -0.059 0.000 2.361 302 K HA 0.364 4.684 4.320 -0.000 0.000 0.196 302 K C 2.746 179.242 176.600 -0.174 0.000 1.039 302 K CA 1.435 57.586 56.287 -0.226 0.000 1.001 302 K CB -0.283 32.159 32.500 -0.096 0.000 0.795 302 K HN 0.786 nan 8.250 nan 0.000 0.495 303 A N 1.398 124.150 122.820 -0.112 0.000 1.898 303 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 303 A C 1.702 179.223 177.584 -0.105 0.000 1.181 303 A CA 1.341 53.323 52.037 -0.091 0.000 0.620 303 A CB -0.280 18.679 19.000 -0.068 0.000 0.819 303 A HN 0.266 nan 8.150 nan 0.000 0.442 304 N N -0.380 118.239 118.700 -0.134 0.000 2.405 304 N HA 0.105 4.845 4.740 -0.000 0.000 0.175 304 N C 1.770 177.212 175.510 -0.113 0.000 1.051 304 N CA 1.015 53.989 53.050 -0.127 0.000 0.899 304 N CB -0.152 38.230 38.487 -0.175 0.000 1.000 304 N HN 0.424 nan 8.380 nan 0.000 0.451 305 A N 0.405 123.112 122.820 -0.189 0.000 1.898 305 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 305 A C 2.287 179.813 177.584 -0.097 0.000 1.181 305 A CA 1.653 53.571 52.037 -0.198 0.000 0.620 305 A CB -0.812 17.863 19.000 -0.541 0.000 0.819 305 A HN 0.206 nan 8.150 nan 0.000 0.442 306 T N 0.339 114.813 114.554 -0.133 0.000 2.737 306 T HA 0.040 4.390 4.350 -0.000 0.000 0.265 306 T C 2.135 176.762 174.700 -0.122 0.000 1.038 306 T CA 1.360 63.400 62.100 -0.100 0.000 1.144 306 T CB -0.432 68.388 68.868 -0.080 0.000 0.866 306 T HN 0.558 nan 8.240 nan 0.000 0.434 307 A N -0.278 122.487 122.820 -0.092 0.000 2.225 307 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 307 A C 1.871 179.419 177.584 -0.059 0.000 1.164 307 A CA 0.949 52.931 52.037 -0.093 0.000 0.710 307 A CB -0.804 18.157 19.000 -0.064 0.000 0.780 307 A HN 0.742 nan 8.150 nan 0.000 0.473 308 W N -0.315 120.857 121.300 -0.215 0.000 2.580 308 W HA 0.154 4.814 4.660 -0.000 0.000 0.287 308 W C 1.287 177.658 176.519 -0.247 0.000 1.175 308 W CA 0.811 58.040 57.345 -0.193 0.000 1.409 308 W CB -0.185 29.188 29.460 -0.145 0.000 1.101 308 W HN 0.145 nan 8.180 nan 0.000 0.558 309 L N 1.445 122.454 121.223 -0.357 0.000 2.549 309 L HA -0.140 4.200 4.340 -0.000 0.000 0.230 309 L C 2.275 178.598 176.870 -0.913 0.000 1.162 309 L CA 1.089 55.550 54.840 -0.631 0.000 0.834 309 L CB -0.651 41.227 42.059 -0.301 0.000 0.947 309 L HN 0.002 nan 8.230 nan 0.000 0.452 310 K N -0.175 119.716 120.400 -0.849 0.000 2.076 310 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 310 K C 1.466 177.758 176.600 -0.514 0.000 1.051 310 K CA 0.994 56.792 56.287 -0.815 0.000 0.949 310 K CB 0.175 32.351 32.500 -0.539 0.000 0.726 310 K HN 0.187 nan 8.250 nan 0.000 0.443 311 D N 0.526 120.651 120.400 -0.458 0.000 2.224 311 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 311 D C 0.145 176.202 176.300 -0.406 0.000 0.965 311 D CA 0.845 54.632 54.000 -0.354 0.000 0.852 311 D CB 0.039 40.681 40.800 -0.263 0.000 0.947 311 D HN 0.121 nan 8.370 nan 0.000 0.494 312 N N 0.997 119.325 118.700 -0.621 0.000 2.699 312 N HA 0.122 4.862 4.740 -0.000 0.000 0.232 312 N C -1.943 173.333 175.510 -0.389 0.000 1.027 312 N CA -1.058 51.655 53.050 -0.562 0.000 0.920 312 N CB 2.332 40.256 38.487 -0.938 0.000 1.148 312 N HN -0.023 nan 8.380 nan 0.000 0.509 313 P HA -0.059 nan 4.420 nan 0.000 0.213 313 P C 0.985 178.242 177.300 -0.072 0.000 1.170 313 P CA 1.061 64.095 63.100 -0.110 0.000 0.889 313 P CB 0.556 32.219 31.700 -0.063 0.000 0.782 314 E N -0.440 119.719 120.200 -0.068 0.000 2.097 314 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 314 E C 1.943 178.523 176.600 -0.033 0.000 1.000 314 E CA 2.105 58.485 56.400 -0.033 0.000 0.804 314 E CB -0.740 28.948 29.700 -0.020 0.000 0.740 314 E HN 0.409 nan 8.360 nan 0.000 0.454 315 T N -0.777 113.730 114.554 -0.078 0.000 2.867 315 T HA 0.009 4.359 4.350 -0.000 0.000 0.268 315 T C 2.016 176.659 174.700 -0.094 0.000 1.057 315 T CA 0.870 62.925 62.100 -0.074 0.000 1.136 315 T CB -0.126 68.676 68.868 -0.110 0.000 0.874 315 T HN 0.172 nan 8.240 nan 0.000 0.466 316 A N 2.452 125.209 122.820 -0.106 0.000 1.832 316 A HA -0.011 4.309 4.320 -0.000 0.000 0.214 316 A C 2.382 179.984 177.584 0.030 0.000 1.200 316 A CA 1.650 53.667 52.037 -0.033 0.000 0.610 316 A CB -0.796 18.228 19.000 0.040 0.000 0.842 316 A HN 0.483 nan 8.150 nan 0.000 0.444 317 K N -0.473 119.956 120.400 0.048 0.000 2.207 317 K HA -0.272 4.048 4.320 -0.000 0.000 0.208 317 K C 2.052 178.678 176.600 0.044 0.000 1.046 317 K CA 1.945 58.266 56.287 0.055 0.000 0.929 317 K CB -0.141 32.384 32.500 0.042 0.000 0.720 317 K HN 0.727 nan 8.250 nan 0.000 0.463 318 E N 0.575 120.798 120.200 0.039 0.000 2.028 318 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 318 E C 1.907 178.547 176.600 0.066 0.000 0.988 318 E CA 1.220 57.653 56.400 0.054 0.000 0.799 318 E CB 0.014 29.756 29.700 0.071 0.000 0.755 318 E HN 0.257 nan 8.360 nan 0.000 0.447 319 I N 0.981 121.589 120.570 0.063 0.000 2.315 319 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 319 I C 2.567 178.727 176.117 0.072 0.000 1.117 319 I CA 1.035 62.383 61.300 0.080 0.000 1.404 319 I CB -0.438 37.599 38.000 0.061 0.000 1.071 319 I HN 0.230 nan 8.210 nan 0.000 0.419 320 E N 1.876 122.117 120.200 0.067 0.000 2.082 320 E HA -0.366 3.984 4.350 -0.000 0.000 0.215 320 E C 2.208 178.834 176.600 0.044 0.000 1.048 320 E CA 2.187 58.625 56.400 0.065 0.000 0.869 320 E CB -0.070 29.673 29.700 0.072 0.000 0.773 320 E HN 0.333 nan 8.360 nan 0.000 0.466 321 K N 0.197 120.619 120.400 0.037 0.000 2.009 321 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 321 K C 2.233 178.854 176.600 0.035 0.000 1.049 321 K CA 1.862 58.165 56.287 0.027 0.000 0.929 321 K CB -0.027 32.488 32.500 0.025 0.000 0.714 321 K HN 0.028 nan 8.250 nan 0.000 0.440 322 K N 0.130 120.560 120.400 0.051 0.000 2.281 322 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 322 K C 1.845 178.477 176.600 0.053 0.000 1.046 322 K CA 1.190 57.510 56.287 0.056 0.000 0.938 322 K CB 0.071 32.616 32.500 0.076 0.000 0.737 322 K HN 0.041 nan 8.250 nan 0.000 0.458 323 V N 0.600 120.546 119.914 0.053 0.000 2.346 323 V HA -0.162 3.958 4.120 -0.000 0.000 0.244 323 V C 2.156 178.271 176.094 0.034 0.000 1.037 323 V CA 1.262 63.592 62.300 0.049 0.000 1.029 323 V CB -0.450 31.406 31.823 0.055 0.000 0.663 323 V HN 0.245 nan 8.190 nan 0.000 0.454 324 R N 0.261 120.776 120.500 0.024 0.000 2.113 324 R HA -0.249 4.091 4.340 -0.000 0.000 0.244 324 R C 2.267 178.575 176.300 0.013 0.000 1.142 324 R CA 2.230 58.336 56.100 0.011 0.000 0.953 324 R CB -0.331 29.968 30.300 -0.001 0.000 0.860 324 R HN 0.620 nan 8.270 nan 0.000 0.438 325 E N 0.135 120.346 120.200 0.017 0.000 2.347 325 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 325 E C 1.512 178.125 176.600 0.020 0.000 1.008 325 E CA 0.483 56.893 56.400 0.017 0.000 0.852 325 E CB 0.117 29.828 29.700 0.018 0.000 0.783 325 E HN 0.315 nan 8.360 nan 0.000 0.505 326 L N 0.277 121.515 121.223 0.026 0.000 2.591 326 L HA 0.048 4.388 4.340 -0.000 0.000 0.228 326 L C 1.325 178.210 176.870 0.026 0.000 1.133 326 L CA 0.239 55.096 54.840 0.028 0.000 0.880 326 L CB 0.266 42.346 42.059 0.035 0.000 1.033 326 L HN 0.154 nan 8.230 nan 0.000 0.450 327 L N -2.563 118.674 121.223 0.023 0.000 2.678 327 L HA 0.157 4.497 4.340 -0.000 0.000 0.187 327 L C 0.477 177.357 176.870 0.017 0.000 1.073 327 L CA -0.419 54.434 54.840 0.022 0.000 0.883 327 L CB -0.000 42.074 42.059 0.025 0.000 1.501 327 L HN -0.112 nan 8.230 nan 0.000 0.488 1007 Q N 0.442 120.245 119.800 0.004 0.000 2.403 1007 Q HA 0.177 4.517 4.340 -0.000 0.000 0.203 1007 Q C -0.039 175.965 176.000 0.007 0.000 0.932 1007 Q CA 0.559 56.366 55.803 0.005 0.000 0.945 1007 Q CB 0.331 29.072 28.738 0.004 0.000 1.045 1007 Q HN 0.153 nan 8.270 nan 0.000 0.511 1008 K N -0.778 119.626 120.400 0.007 0.000 2.438 1008 K HA 0.271 4.591 4.320 -0.000 0.000 0.205 1008 K C 0.983 177.588 176.600 0.009 0.000 1.033 1008 K CA 0.031 56.323 56.287 0.008 0.000 1.089 1008 K CB 0.925 33.429 32.500 0.007 0.000 0.857 1008 K HN 0.022 nan 8.250 nan 0.000 0.522 1009 A N 0.721 123.546 122.820 0.009 0.000 2.067 1009 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 1009 A C 1.806 179.398 177.584 0.014 0.000 1.156 1009 A CA 0.780 52.823 52.037 0.011 0.000 0.683 1009 A CB -0.007 18.998 19.000 0.009 0.000 0.808 1009 A HN 0.223 nan 8.150 nan 0.000 0.455 1010 L N -0.724 120.507 121.223 0.013 0.000 2.121 1010 L HA 0.284 4.624 4.340 -0.000 0.000 0.200 1010 L C 2.689 179.570 176.870 0.018 0.000 1.132 1010 L CA 1.656 56.505 54.840 0.016 0.000 0.782 1010 L CB -0.815 41.252 42.059 0.014 0.000 0.940 1010 L HN 0.236 nan 8.230 nan 0.000 0.458 1011 A N -0.283 122.546 122.820 0.016 0.000 1.997 1011 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 1011 A C 2.278 179.872 177.584 0.017 0.000 1.172 1011 A CA 2.353 54.400 52.037 0.016 0.000 0.645 1011 A CB -1.272 17.736 19.000 0.013 0.000 0.813 1011 A HN 0.659 nan 8.150 nan 0.000 0.454 1012 A N -0.635 122.194 122.820 0.015 0.000 1.874 1012 A HA 0.359 4.679 4.320 -0.000 0.000 0.214 1012 A C 2.412 180.007 177.584 0.019 0.000 1.189 1012 A CA 1.528 53.574 52.037 0.015 0.000 0.615 1012 A CB -0.946 18.061 19.000 0.011 0.000 0.830 1012 A HN 1.137 nan 8.150 nan 0.000 0.443 1013 A N -0.699 122.134 122.820 0.021 0.000 2.216 1013 A HA 0.191 4.511 4.320 -0.000 0.000 0.214 1013 A C 1.998 179.604 177.584 0.037 0.000 1.160 1013 A CA 0.829 52.883 52.037 0.028 0.000 0.725 1013 A CB -0.450 18.566 19.000 0.027 0.000 0.784 1013 A HN 0.475 nan 8.150 nan 0.000 0.472 1014 L N -1.139 120.105 121.223 0.035 0.000 2.013 1014 L HA -0.017 4.323 4.340 -0.000 0.000 0.204 1014 L C 2.838 179.736 176.870 0.046 0.000 1.081 1014 L CA 1.098 55.963 54.840 0.042 0.000 0.751 1014 L CB -1.018 41.062 42.059 0.035 0.000 0.901 1014 L HN 0.440 nan 8.230 nan 0.000 0.440 1015 G N -0.899 107.922 108.800 0.035 0.000 2.581 1015 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.223 1015 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.223 1015 G C 1.448 176.367 174.900 0.031 0.000 1.094 1015 G CA 0.507 45.626 45.100 0.031 0.000 0.736 1015 G HN 0.367 nan 8.290 nan 0.000 0.588 1016 Q N -0.186 119.633 119.800 0.032 0.000 2.020 1016 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 1016 Q C 2.730 178.759 176.000 0.049 0.000 0.982 1016 Q CA 1.061 56.881 55.803 0.028 0.000 0.838 1016 Q CB -0.249 28.506 28.738 0.028 0.000 0.899 1016 Q HN 0.498 nan 8.270 nan 0.000 0.423 1017 I N 0.876 121.504 120.570 0.097 0.000 2.493 1017 I HA -0.150 4.020 4.170 -0.000 0.000 0.254 1017 I C 2.034 178.279 176.117 0.214 0.000 1.160 1017 I CA 0.973 62.394 61.300 0.201 0.000 1.445 1017 I CB -1.168 36.949 38.000 0.194 0.000 1.086 1017 I HN 0.218 nan 8.210 nan 0.000 0.433 1018 E N 1.367 121.638 120.200 0.118 0.000 2.015 1018 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 1018 E C 2.158 178.799 176.600 0.068 0.000 0.991 1018 E CA 0.972 57.430 56.400 0.096 0.000 0.802 1018 E CB -0.108 29.628 29.700 0.060 0.000 0.759 1018 E HN 0.380 nan 8.360 nan 0.000 0.447 1019 K N 1.008 121.425 120.400 0.028 0.000 2.152 1019 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 1019 K C 2.148 178.714 176.600 -0.057 0.000 1.048 1019 K CA 1.278 57.560 56.287 -0.009 0.000 0.933 1019 K CB -0.017 32.473 32.500 -0.017 0.000 0.721 1019 K HN 0.073 nan 8.250 nan 0.000 0.447 1020 Q N -1.061 118.678 119.800 -0.101 0.000 2.167 1020 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 1020 Q C 0.298 175.969 176.000 -0.550 0.000 0.970 1020 Q CA 1.207 56.807 55.803 -0.339 0.000 0.855 1020 Q CB 0.228 28.720 28.738 -0.410 0.000 0.911 1020 Q HN 0.241 nan 8.270 nan 0.000 0.438 1021 F N -0.667 119.285 119.950 0.002 0.000 2.764 1021 F HA 0.382 4.909 4.527 -0.000 0.000 0.310 1021 F C 0.269 176.068 175.800 -0.002 0.000 1.124 1021 F CA 0.249 58.250 58.000 0.001 0.000 1.252 1021 F CB 1.373 40.376 39.000 0.005 0.000 1.010 1021 F HN 0.022 nan 8.300 nan 0.000 0.518 1022 G N 1.234 110.097 108.800 0.105 0.000 2.879 1022 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.686 1022 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.686 1022 G C -0.663 174.277 174.900 0.068 0.000 1.115 1022 G CA -1.279 43.862 45.100 0.067 0.000 0.770 1022 G HN 0.114 nan 8.290 nan 0.000 0.601 1023 K N 0.914 121.337 120.400 0.039 0.000 2.402 1023 K HA 0.522 4.842 4.320 -0.000 0.000 0.285 1023 K C 1.002 177.623 176.600 0.036 0.000 1.054 1023 K CA 1.476 57.783 56.287 0.034 0.000 1.001 1023 K CB 0.719 33.231 32.500 0.019 0.000 0.946 1023 K HN 2.275 nan 8.250 nan 0.000 0.473 1024 G N 2.453 111.280 108.800 0.044 0.000 2.905 1024 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.245 1024 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.245 1024 G C -0.005 174.924 174.900 0.050 0.000 1.004 1024 G CA -0.007 45.118 45.100 0.042 0.000 1.089 1024 G HN 0.673 nan 8.290 nan 0.000 0.456 1025 S N 0.564 116.300 115.700 0.060 0.000 3.004 1025 S HA 0.570 5.040 4.470 -0.000 0.000 0.244 1025 S C 0.034 174.663 174.600 0.049 0.000 0.870 1025 S CA 0.334 58.568 58.200 0.055 0.000 1.267 1025 S CB 0.140 63.376 63.200 0.060 0.000 1.208 1025 S HN 2.004 nan 8.310 nan 0.000 0.624 1026 I N 1.556 122.161 120.570 0.058 0.000 2.771 1026 I HA 0.605 4.775 4.170 -0.000 0.000 0.291 1026 I C -2.272 173.883 176.117 0.064 0.000 1.527 1026 I CA -0.922 60.414 61.300 0.061 0.000 1.024 1026 I CB 1.919 39.946 38.000 0.046 0.000 1.388 1026 I HN 0.378 nan 8.210 nan 0.000 0.447 1027 M N 4.460 124.103 119.600 0.073 0.000 2.790 1027 M HA 0.505 4.985 4.480 -0.000 0.000 0.272 1027 M C -1.649 174.690 176.300 0.065 0.000 1.168 1027 M CA -1.015 54.322 55.300 0.063 0.000 0.829 1027 M CB 1.906 34.540 32.600 0.057 0.000 1.675 1027 M HN 0.511 nan 8.290 nan 0.000 0.505 1028 R N 0.653 121.181 120.500 0.048 0.000 2.643 1028 R HA 0.342 4.682 4.340 -0.000 0.000 0.270 1028 R C 0.661 176.988 176.300 0.044 0.000 1.061 1028 R CA -0.139 55.984 56.100 0.038 0.000 1.107 1028 R CB 0.662 30.977 30.300 0.024 0.000 0.999 1028 R HN 0.620 nan 8.270 nan 0.000 0.460 1029 L N 1.141 122.386 121.223 0.038 0.000 2.068 1029 L HA 0.040 4.380 4.340 -0.000 0.000 0.204 1029 L C 1.595 178.487 176.870 0.037 0.000 1.076 1029 L CA 1.116 55.986 54.840 0.049 0.000 0.753 1029 L CB -0.214 41.867 42.059 0.037 0.000 0.910 1029 L HN 0.788 nan 8.230 nan 0.000 0.439 1030 G N 1.098 109.910 108.800 0.020 0.000 2.916 1030 G HA2 0.213 4.173 3.960 -0.000 0.000 0.280 1030 G HA3 0.213 4.173 3.960 -0.000 0.000 0.280 1030 G C -0.341 174.569 174.900 0.017 0.000 0.758 1030 G CA -0.019 45.090 45.100 0.016 0.000 1.993 1030 G HN 0.203 nan 8.290 nan 0.000 0.564 1031 E N 0.727 120.939 120.200 0.021 0.000 2.292 1031 E HA 0.171 4.521 4.350 -0.000 0.000 0.272 1031 E C -0.588 176.022 176.600 0.016 0.000 0.881 1031 E CA -0.617 55.794 56.400 0.019 0.000 0.754 1031 E CB 1.958 31.672 29.700 0.023 0.000 1.201 1031 E HN 0.247 nan 8.360 nan 0.000 0.425 1032 D N 0.876 121.284 120.400 0.013 0.000 2.340 1032 D HA 0.011 4.651 4.640 -0.000 0.000 0.220 1032 D C -0.011 176.294 176.300 0.009 0.000 1.039 1032 D CA 0.234 54.240 54.000 0.010 0.000 0.866 1032 D CB 0.271 41.077 40.800 0.009 0.000 0.913 1032 D HN -0.081 nan 8.370 nan 0.000 0.523 1033 R N 1.447 121.954 120.500 0.011 0.000 2.309 1033 R HA 0.160 4.500 4.340 -0.000 0.000 0.331 1033 R C -0.519 175.786 176.300 0.009 0.000 1.116 1033 R CA 0.057 56.163 56.100 0.010 0.000 0.970 1033 R CB 0.066 30.374 30.300 0.014 0.000 1.024 1033 R HN 0.080 nan 8.270 nan 0.000 0.472 1034 S N 4.012 119.715 115.700 0.004 0.000 2.530 1034 S HA 0.351 4.821 4.470 -0.000 0.000 0.322 1034 S C 0.406 175.005 174.600 -0.001 0.000 1.085 1034 S CA -1.095 57.105 58.200 -0.000 0.000 1.096 1034 S CB 1.259 64.456 63.200 -0.005 0.000 0.988 1034 S HN 0.423 nan 8.310 nan 0.000 0.466 1035 M N 1.716 121.316 119.600 -0.000 0.000 2.252 1035 M HA 0.190 4.670 4.480 -0.000 0.000 0.329 1035 M C -0.233 176.064 176.300 -0.005 0.000 1.101 1035 M CA 0.079 55.378 55.300 -0.001 0.000 1.117 1035 M CB -0.353 32.247 32.600 0.000 0.000 1.563 1035 M HN 0.515 nan 8.290 nan 0.000 0.445 1036 D N 2.403 122.800 120.400 -0.005 0.000 2.619 1036 D HA 0.310 4.950 4.640 -0.000 0.000 0.224 1036 D C -0.693 175.602 176.300 -0.009 0.000 1.133 1036 D CA -0.051 53.945 54.000 -0.007 0.000 1.017 1036 D CB 0.174 40.971 40.800 -0.005 0.000 1.077 1036 D HN 0.443 nan 8.370 nan 0.000 0.503 1037 V N -0.933 118.974 119.914 -0.012 0.000 2.713 1037 V HA 0.454 4.574 4.120 -0.000 0.000 0.307 1037 V C 0.524 176.607 176.094 -0.019 0.000 1.052 1037 V CA -1.086 61.205 62.300 -0.015 0.000 0.967 1037 V CB 1.861 33.675 31.823 -0.016 0.000 1.019 1037 V HN 0.093 nan 8.190 nan 0.000 0.459 1038 E N 2.056 122.244 120.200 -0.019 0.000 2.415 1038 E HA 0.264 4.614 4.350 -0.000 0.000 0.263 1038 E C -0.006 176.578 176.600 -0.027 0.000 0.995 1038 E CA 0.298 56.685 56.400 -0.022 0.000 0.915 1038 E CB 0.953 30.641 29.700 -0.020 0.000 0.951 1038 E HN 1.000 nan 8.360 nan 0.000 0.449 1039 T N 1.085 115.621 114.554 -0.029 0.000 2.797 1039 T HA 0.527 4.877 4.350 -0.000 0.000 0.279 1039 T C -0.195 174.481 174.700 -0.040 0.000 0.991 1039 T CA -0.903 61.175 62.100 -0.037 0.000 0.979 1039 T CB 0.861 69.707 68.868 -0.037 0.000 0.943 1039 T HN 0.149 nan 8.240 nan 0.000 0.444 1040 I N 2.717 123.258 120.570 -0.048 0.000 2.418 1040 I HA 0.333 4.503 4.170 -0.000 0.000 0.287 1040 I C 0.702 176.778 176.117 -0.068 0.000 1.008 1040 I CA -0.575 60.693 61.300 -0.052 0.000 1.104 1040 I CB 1.711 39.682 38.000 -0.048 0.000 1.264 1040 I HN 0.843 nan 8.210 nan 0.000 0.438 1041 S N 3.526 119.181 115.700 -0.075 0.000 2.537 1041 S HA 0.029 4.499 4.470 -0.000 0.000 0.286 1041 S C 1.583 176.108 174.600 -0.124 0.000 1.299 1041 S CA 0.080 58.216 58.200 -0.108 0.000 1.067 1041 S CB 0.388 63.521 63.200 -0.112 0.000 0.864 1041 S HN 0.782 nan 8.310 nan 0.000 0.494 1042 T N 2.415 116.876 114.554 -0.154 0.000 3.035 1042 T HA 0.235 4.585 4.350 -0.000 0.000 0.268 1042 T C 1.545 176.130 174.700 -0.192 0.000 1.109 1042 T CA 0.935 62.942 62.100 -0.155 0.000 1.119 1042 T CB -0.375 68.393 68.868 -0.167 0.000 0.900 1042 T HN 1.351 nan 8.240 nan 0.000 0.503 1043 G N 0.623 109.268 108.800 -0.259 0.000 2.284 1043 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 1043 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 1043 G C 0.306 174.881 174.900 -0.541 0.000 1.009 1043 G CA 0.167 45.074 45.100 -0.322 0.000 0.625 1043 G HN 1.116 nan 8.290 nan 0.000 0.501 1044 S N 1.351 116.719 115.700 -0.552 0.000 2.433 1044 S HA 0.665 5.135 4.470 -0.000 0.000 0.310 1044 S C 1.761 176.036 174.600 -0.543 0.000 1.097 1044 S CA -0.425 57.348 58.200 -0.711 0.000 1.103 1044 S CB 0.735 63.321 63.200 -1.024 0.000 0.992 1044 S HN 0.341 nan 8.310 nan 0.000 0.469 1045 L N 4.169 125.064 121.223 -0.548 0.000 1.990 1045 L HA -0.130 4.210 4.340 -0.000 0.000 0.213 1045 L C 2.854 179.578 176.870 -0.243 0.000 1.072 1045 L CA 2.377 57.008 54.840 -0.348 0.000 0.755 1045 L CB -1.567 40.325 42.059 -0.279 0.000 0.889 1045 L HN 0.926 nan 8.230 nan 0.000 0.432 1046 S N -0.695 114.860 115.700 -0.241 0.000 2.442 1046 S HA -0.178 4.292 4.470 -0.000 0.000 0.236 1046 S C 1.928 176.454 174.600 -0.123 0.000 1.007 1046 S CA 0.847 58.967 58.200 -0.133 0.000 0.965 1046 S CB -0.518 62.649 63.200 -0.055 0.000 0.773 1046 S HN 0.393 nan 8.310 nan 0.000 0.504 1047 L N 1.406 122.504 121.223 -0.210 0.000 2.034 1047 L HA -0.066 4.274 4.340 -0.000 0.000 0.203 1047 L C 2.111 178.905 176.870 -0.127 0.000 1.074 1047 L CA 1.737 56.487 54.840 -0.150 0.000 0.748 1047 L CB -0.531 41.411 42.059 -0.196 0.000 0.905 1047 L HN 0.156 nan 8.230 nan 0.000 0.439 1048 D N 0.280 120.584 120.400 -0.160 0.000 2.170 1048 D HA -0.269 4.371 4.640 -0.000 0.000 0.193 1048 D C 2.108 178.355 176.300 -0.088 0.000 1.004 1048 D CA 1.701 55.627 54.000 -0.124 0.000 0.860 1048 D CB -0.274 40.442 40.800 -0.140 0.000 0.931 1048 D HN 0.368 nan 8.370 nan 0.000 0.448 1049 I N 0.864 121.384 120.570 -0.084 0.000 2.127 1049 I HA -0.277 3.893 4.170 -0.000 0.000 0.241 1049 I C 2.375 178.470 176.117 -0.036 0.000 1.075 1049 I CA 1.468 62.737 61.300 -0.052 0.000 1.334 1049 I CB -0.154 37.820 38.000 -0.044 0.000 1.040 1049 I HN -0.046 nan 8.210 nan 0.000 0.405 1050 A N -0.041 122.757 122.820 -0.037 0.000 2.119 1050 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 1050 A C 2.252 179.815 177.584 -0.035 0.000 1.152 1050 A CA 0.656 52.680 52.037 -0.022 0.000 0.708 1050 A CB -0.585 18.410 19.000 -0.007 0.000 0.805 1050 A HN 0.366 nan 8.150 nan 0.000 0.460 1051 L N -1.454 119.737 121.223 -0.053 0.000 2.042 1051 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 1051 L C 2.290 179.132 176.870 -0.046 0.000 1.076 1051 L CA 1.524 56.328 54.840 -0.060 0.000 0.749 1051 L CB -0.283 41.734 42.059 -0.070 0.000 0.893 1051 L HN 0.608 nan 8.230 nan 0.000 0.432 1052 G N -1.864 106.913 108.800 -0.037 0.000 2.399 1052 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.216 1052 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.216 1052 G C 1.049 175.933 174.900 -0.027 0.000 1.096 1052 G CA 0.424 45.509 45.100 -0.025 0.000 0.650 1052 G HN 0.447 nan 8.290 nan 0.000 0.512 1053 A N 0.477 123.276 122.820 -0.034 0.000 2.072 1053 A HA 0.540 4.860 4.320 -0.000 0.000 0.216 1053 A C 2.493 180.054 177.584 -0.037 0.000 1.156 1053 A CA 2.179 54.197 52.037 -0.032 0.000 0.701 1053 A CB -0.512 18.467 19.000 -0.035 0.000 0.816 1053 A HN 2.600 nan 8.150 nan 0.000 0.458 1054 G N -2.137 106.634 108.800 -0.048 0.000 2.203 1054 G HA2 0.401 4.361 3.960 -0.000 0.000 0.231 1054 G HA3 0.401 4.361 3.960 -0.000 0.000 0.231 1054 G C 0.763 175.623 174.900 -0.067 0.000 1.058 1054 G CA 0.309 45.374 45.100 -0.058 0.000 0.781 1054 G HN 2.283 nan 8.290 nan 0.000 0.496 1055 G N -1.578 107.179 108.800 -0.072 0.000 2.347 1055 G HA2 0.438 4.398 3.960 -0.000 0.000 0.321 1055 G HA3 0.438 4.398 3.960 -0.000 0.000 0.321 1055 G C -0.526 174.333 174.900 -0.067 0.000 1.412 1055 G CA -0.563 44.491 45.100 -0.075 0.000 0.990 1055 G HN 0.985 nan 8.290 nan 0.000 0.637 1056 L N 1.835 123.018 121.223 -0.067 0.000 2.367 1056 L HA 0.334 4.674 4.340 -0.000 0.000 0.275 1056 L C -1.496 175.343 176.870 -0.052 0.000 1.129 1056 L CA -1.621 53.182 54.840 -0.061 0.000 0.839 1056 L CB 1.172 43.193 42.059 -0.063 0.000 1.133 1056 L HN 0.328 nan 8.230 nan 0.000 0.453 1057 P HA -0.060 nan 4.420 nan 0.000 0.257 1057 P C -0.172 177.106 177.300 -0.038 0.000 1.227 1057 P CA 0.042 63.118 63.100 -0.040 0.000 0.981 1057 P CB 0.235 31.911 31.700 -0.039 0.000 1.044 1058 M N 2.667 122.246 119.600 -0.035 0.000 2.336 1058 M HA 0.013 4.493 4.480 -0.000 0.000 0.371 1058 M C 1.467 177.750 176.300 -0.029 0.000 1.542 1058 M CA 1.490 56.771 55.300 -0.032 0.000 0.959 1058 M CB -0.987 31.596 32.600 -0.027 0.000 2.033 1058 M HN 0.777 nan 8.290 nan 0.000 0.472 1059 G N 3.578 112.360 108.800 -0.031 0.000 2.130 1059 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 1059 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 1059 G C 0.002 174.887 174.900 -0.026 0.000 0.999 1059 G CA -0.418 44.667 45.100 -0.026 0.000 0.686 1059 G HN 0.586 nan 8.290 nan 0.000 0.515 1060 R N -0.990 119.490 120.500 -0.032 0.000 2.922 1060 R HA 0.708 5.048 4.340 -0.000 0.000 0.256 1060 R C -0.267 176.015 176.300 -0.031 0.000 1.138 1060 R CA -1.003 55.081 56.100 -0.027 0.000 0.995 1060 R CB 0.947 31.230 30.300 -0.029 0.000 1.226 1060 R HN 0.183 nan 8.270 nan 0.000 0.481 1061 I N 1.480 122.047 120.570 -0.006 0.000 2.321 1061 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 1061 I C -0.360 175.765 176.117 0.013 0.000 0.998 1061 I CA -0.853 60.453 61.300 0.010 0.000 1.227 1061 I CB 1.758 39.827 38.000 0.116 0.000 1.368 1061 I HN 0.006 nan 8.210 nan 0.000 0.466 1062 V N 6.122 126.026 119.914 -0.017 0.000 2.378 1062 V HA 0.279 4.399 4.120 -0.000 0.000 0.288 1062 V C -0.026 176.091 176.094 0.037 0.000 1.016 1062 V CA -0.655 61.636 62.300 -0.015 0.000 0.840 1062 V CB 1.632 33.425 31.823 -0.050 0.000 0.994 1062 V HN 0.710 nan 8.190 nan 0.000 0.431 1063 E N 5.240 125.468 120.200 0.047 0.000 2.109 1063 E HA 0.488 4.838 4.350 -0.000 0.000 0.278 1063 E C -1.110 175.475 176.600 -0.026 0.000 0.954 1063 E CA -0.579 55.873 56.400 0.086 0.000 0.779 1063 E CB 1.068 30.829 29.700 0.102 0.000 1.093 1063 E HN 0.682 nan 8.360 nan 0.000 0.401 1064 I N 6.574 127.147 120.570 0.004 0.000 2.307 1064 I HA 0.184 4.354 4.170 -0.000 0.000 0.287 1064 I C -0.499 175.644 176.117 0.044 0.000 1.054 1064 I CA -0.970 60.301 61.300 -0.048 0.000 1.218 1064 I CB -0.095 37.897 38.000 -0.013 0.000 1.398 1064 I HN 0.434 nan 8.210 nan 0.000 0.475 1065 Y N 4.319 124.619 120.300 0.001 0.000 2.453 1065 Y HA 0.968 5.518 4.550 -0.000 0.000 0.326 1065 Y C 0.035 175.933 175.900 -0.003 0.000 1.186 1065 Y CA -2.478 55.620 58.100 -0.003 0.000 1.200 1065 Y CB 1.428 39.878 38.460 -0.017 0.000 1.247 1065 Y HN 0.569 nan 8.280 nan 0.000 0.482 1066 G N 1.566 110.568 108.800 0.336 0.000 2.433 1066 G HA2 0.378 4.338 3.960 -0.000 0.000 0.306 1066 G HA3 0.378 4.338 3.960 -0.000 0.000 0.306 1066 G C -3.492 171.455 174.900 0.078 0.000 1.627 1066 G CA -1.356 43.870 45.100 0.210 0.000 0.893 1066 G HN 0.492 nan 8.290 nan 0.000 0.648 1067 P HA -0.048 nan 4.420 nan 0.000 0.263 1067 P C 0.810 178.115 177.300 0.009 0.000 1.145 1067 P CA 0.726 63.831 63.100 0.007 0.000 0.755 1067 P CB 0.248 31.951 31.700 0.006 0.000 0.746 1068 E N 1.934 122.133 120.200 -0.002 0.000 2.534 1068 E HA -0.035 4.315 4.350 -0.000 0.000 0.264 1068 E C -0.193 176.401 176.600 -0.010 0.000 0.981 1068 E CA 0.060 56.458 56.400 -0.004 0.000 0.948 1068 E CB -0.361 29.333 29.700 -0.010 0.000 0.934 1068 E HN 0.343 nan 8.360 nan 0.000 0.459 1069 S N 1.059 116.749 115.700 -0.017 0.000 3.587 1069 S HA -0.216 4.254 4.470 -0.000 0.000 0.337 1069 S C 0.832 175.411 174.600 -0.035 0.000 1.119 1069 S CA 0.949 59.127 58.200 -0.036 0.000 0.976 1069 S CB -2.057 61.120 63.200 -0.038 0.000 0.922 1069 S HN 0.761 nan 8.310 nan 0.000 0.503 1070 S N -0.209 115.480 115.700 -0.019 0.000 2.439 1070 S HA 0.460 4.930 4.470 -0.000 0.000 0.224 1070 S C 1.732 176.313 174.600 -0.031 0.000 1.029 1070 S CA 0.717 58.907 58.200 -0.017 0.000 0.946 1070 S CB 0.353 63.558 63.200 0.008 0.000 0.797 1070 S HN 1.837 nan 8.310 nan 0.000 0.504 1071 G N 2.018 110.805 108.800 -0.022 0.000 2.425 1071 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.177 1071 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.177 1071 G C 0.859 175.775 174.900 0.027 0.000 0.999 1071 G CA 0.155 45.247 45.100 -0.014 0.000 0.723 1071 G HN 0.490 nan 8.290 nan 0.000 0.491 1072 K N -0.091 120.328 120.400 0.032 0.000 2.034 1072 K HA -0.165 4.155 4.320 -0.000 0.000 0.214 1072 K C 1.970 178.607 176.600 0.062 0.000 1.051 1072 K CA 2.040 58.357 56.287 0.050 0.000 0.931 1072 K CB -0.895 31.638 32.500 0.056 0.000 0.715 1072 K HN 0.157 nan 8.250 nan 0.000 0.446 1073 T N 0.761 115.353 114.554 0.063 0.000 2.833 1073 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 1073 T C 1.713 176.474 174.700 0.102 0.000 1.054 1073 T CA 1.816 63.968 62.100 0.087 0.000 1.135 1073 T CB -0.405 68.518 68.868 0.092 0.000 0.869 1073 T HN 0.453 nan 8.240 nan 0.000 0.466 1074 T N 2.276 116.899 114.554 0.116 0.000 2.652 1074 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 1074 T C 1.858 176.619 174.700 0.101 0.000 1.039 1074 T CA 1.262 63.465 62.100 0.172 0.000 1.153 1074 T CB -0.584 68.403 68.868 0.198 0.000 0.863 1074 T HN 0.296 nan 8.240 nan 0.000 0.428 1075 L N 0.507 121.786 121.223 0.093 0.000 2.079 1075 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 1075 L C 2.554 179.442 176.870 0.029 0.000 1.081 1075 L CA 1.488 56.367 54.840 0.064 0.000 0.752 1075 L CB -0.679 41.434 42.059 0.089 0.000 0.896 1075 L HN 0.261 nan 8.230 nan 0.000 0.433 1076 T N -0.014 114.568 114.554 0.046 0.000 2.674 1076 T HA -0.179 4.171 4.350 -0.000 0.000 0.265 1076 T C 1.706 176.423 174.700 0.028 0.000 1.039 1076 T CA 1.649 63.775 62.100 0.044 0.000 1.150 1076 T CB -0.206 68.711 68.868 0.082 0.000 0.864 1076 T HN 0.171 nan 8.240 nan 0.000 0.427 1077 L N 1.228 122.467 121.223 0.026 0.000 2.362 1077 L HA 0.006 4.346 4.340 -0.000 0.000 0.219 1077 L C 2.568 179.409 176.870 -0.048 0.000 1.134 1077 L CA 1.346 56.171 54.840 -0.024 0.000 0.807 1077 L CB -0.546 41.496 42.059 -0.028 0.000 0.927 1077 L HN 0.224 nan 8.230 nan 0.000 0.447 1078 Q N -0.991 118.788 119.800 -0.035 0.000 2.187 1078 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 1078 Q C 2.319 178.282 176.000 -0.063 0.000 0.957 1078 Q CA 1.578 57.346 55.803 -0.058 0.000 0.857 1078 Q CB -0.000 28.703 28.738 -0.058 0.000 0.929 1078 Q HN 0.566 nan 8.270 nan 0.000 0.453 1079 V N -1.355 118.528 119.914 -0.051 0.000 2.307 1079 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 1079 V C 2.257 178.323 176.094 -0.046 0.000 1.045 1079 V CA 1.246 63.515 62.300 -0.053 0.000 1.024 1079 V CB -0.978 30.817 31.823 -0.046 0.000 0.651 1079 V HN 0.153 nan 8.190 nan 0.000 0.449 1080 I N 1.338 121.885 120.570 -0.038 0.000 2.315 1080 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 1080 I C 2.901 178.986 176.117 -0.053 0.000 1.125 1080 I CA 1.645 62.921 61.300 -0.041 0.000 1.392 1080 I CB -0.729 37.242 38.000 -0.049 0.000 1.065 1080 I HN 0.402 nan 8.210 nan 0.000 0.424 1081 A N 1.042 123.826 122.820 -0.060 0.000 1.835 1081 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 1081 A C 2.580 180.136 177.584 -0.048 0.000 1.199 1081 A CA 2.046 54.047 52.037 -0.061 0.000 0.615 1081 A CB -1.073 17.887 19.000 -0.067 0.000 0.838 1081 A HN 0.411 nan 8.150 nan 0.000 0.444 1082 A N -0.597 122.194 122.820 -0.047 0.000 1.972 1082 A HA 0.183 4.503 4.320 -0.000 0.000 0.219 1082 A C 2.403 179.966 177.584 -0.035 0.000 1.169 1082 A CA 2.096 54.110 52.037 -0.039 0.000 0.635 1082 A CB -0.845 18.125 19.000 -0.050 0.000 0.810 1082 A HN 1.098 nan 8.150 nan 0.000 0.446 1083 A N -1.244 121.554 122.820 -0.038 0.000 1.970 1083 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 1083 A C 2.053 179.620 177.584 -0.029 0.000 1.170 1083 A CA 1.242 53.260 52.037 -0.033 0.000 0.645 1083 A CB -0.336 18.644 19.000 -0.033 0.000 0.816 1083 A HN 0.586 nan 8.150 nan 0.000 0.447 1084 Q N -1.136 118.645 119.800 -0.032 0.000 2.378 1084 Q HA 0.032 4.372 4.340 -0.000 0.000 0.205 1084 Q C 1.854 177.837 176.000 -0.027 0.000 0.954 1084 Q CA 0.531 56.316 55.803 -0.031 0.000 0.901 1084 Q CB 0.074 28.789 28.738 -0.039 0.000 0.981 1084 Q HN 0.585 nan 8.270 nan 0.000 0.483 1085 R N 0.355 120.839 120.500 -0.027 0.000 2.317 1085 R HA 0.032 4.372 4.340 -0.000 0.000 0.208 1085 R C 0.235 176.525 176.300 -0.018 0.000 0.914 1085 R CA 0.277 56.364 56.100 -0.023 0.000 1.060 1085 R CB 0.529 30.817 30.300 -0.021 0.000 1.015 1085 R HN 0.090 nan 8.270 nan 0.000 0.498 1086 E N -0.685 119.504 120.200 -0.019 0.000 2.830 1086 E HA 0.148 4.498 4.350 -0.000 0.000 0.225 1086 E C 0.284 176.875 176.600 -0.015 0.000 1.109 1086 E CA 0.066 56.457 56.400 -0.016 0.000 1.392 1086 E CB 1.007 30.697 29.700 -0.017 0.000 1.349 1086 E HN 0.456 nan 8.360 nan 0.000 0.433 1087 G N 1.639 110.430 108.800 -0.015 0.000 2.412 1087 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.252 1087 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.252 1087 G C 0.497 175.389 174.900 -0.013 0.000 1.038 1087 G CA 0.559 45.651 45.100 -0.013 0.000 0.628 1087 G HN 0.323 nan 8.290 nan 0.000 0.531 1088 K N 1.596 121.987 120.400 -0.015 0.000 2.380 1088 K HA 0.441 4.761 4.320 -0.000 0.000 0.267 1088 K C 0.417 177.008 176.600 -0.014 0.000 0.990 1088 K CA 0.926 57.205 56.287 -0.014 0.000 0.946 1088 K CB 0.424 32.914 32.500 -0.017 0.000 0.937 1088 K HN 0.441 nan 8.250 nan 0.000 0.491 1089 T N -1.204 113.344 114.554 -0.010 0.000 2.841 1089 T HA 0.537 4.887 4.350 -0.000 0.000 0.283 1089 T C -0.230 174.468 174.700 -0.004 0.000 1.000 1089 T CA -0.970 61.125 62.100 -0.008 0.000 0.977 1089 T CB 0.616 69.482 68.868 -0.003 0.000 0.979 1089 T HN 0.573 nan 8.240 nan 0.000 0.446 1090 C N 1.658 120.957 119.300 -0.002 0.000 2.667 1090 C HA 0.986 5.446 4.460 -0.000 0.000 0.323 1090 C C 0.566 175.573 174.990 0.028 0.000 1.214 1090 C CA -1.023 57.998 59.018 0.005 0.000 1.721 1090 C CB 1.022 28.762 27.740 -0.001 0.000 2.275 1090 C HN 1.224 nan 8.230 nan 0.000 0.491 1091 A N 0.822 123.665 122.820 0.040 0.000 2.325 1091 A HA 0.858 5.178 4.320 -0.000 0.000 0.333 1091 A C -1.285 176.386 177.584 0.145 0.000 1.155 1091 A CA -0.198 51.879 52.037 0.067 0.000 0.814 1091 A CB 0.707 19.720 19.000 0.022 0.000 1.206 1091 A HN 0.864 nan 8.150 nan 0.000 0.482 1092 F N 3.752 123.679 119.950 -0.038 0.000 2.610 1092 F HA 0.472 4.999 4.527 -0.000 0.000 0.355 1092 F C -0.978 174.812 175.800 -0.016 0.000 1.140 1092 F CA -1.125 56.850 58.000 -0.042 0.000 1.037 1092 F CB 1.044 40.004 39.000 -0.065 0.000 1.287 1092 F HN 0.358 nan 8.300 nan 0.000 0.457 1093 I N 4.283 124.619 120.570 -0.389 0.000 2.301 1093 I HA 0.185 4.355 4.170 -0.000 0.000 0.292 1093 I C -0.443 175.340 176.117 -0.556 0.000 1.046 1093 I CA -0.261 60.849 61.300 -0.316 0.000 1.282 1093 I CB 0.846 38.724 38.000 -0.203 0.000 1.409 1093 I HN 0.516 nan 8.210 nan 0.000 0.484 1094 D N 5.154 125.311 120.400 -0.404 0.000 2.453 1094 D HA 0.577 5.217 4.640 -0.000 0.000 0.238 1094 D C 0.367 176.532 176.300 -0.225 0.000 1.088 1094 D CA -0.406 53.372 54.000 -0.369 0.000 0.854 1094 D CB 1.647 42.388 40.800 -0.098 0.000 1.076 1094 D HN 0.578 nan 8.370 nan 0.000 0.533 1095 A N 3.729 126.412 122.820 -0.228 0.000 2.390 1095 A HA 0.118 4.438 4.320 -0.000 0.000 0.232 1095 A C 1.559 178.940 177.584 -0.338 0.000 1.233 1095 A CA -0.083 51.831 52.037 -0.205 0.000 0.907 1095 A CB 0.138 19.138 19.000 0.000 0.000 0.967 1095 A HN 0.543 nan 8.150 nan 0.000 0.512 1096 E N -0.203 119.841 120.200 -0.259 0.000 2.140 1096 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 1096 E C -0.494 176.097 176.600 -0.014 0.000 0.973 1096 E CA 0.602 56.942 56.400 -0.101 0.000 0.829 1096 E CB -0.244 29.465 29.700 0.014 0.000 0.781 1096 E HN 0.783 nan 8.360 nan 0.000 0.466 1097 H N -1.070 118.110 119.070 0.184 0.000 2.819 1097 H HA -0.182 4.374 4.556 -0.000 0.000 0.315 1097 H C 0.471 175.958 175.328 0.264 0.000 1.242 1097 H CA 0.068 56.239 56.048 0.206 0.000 1.157 1097 H CB -1.458 28.323 29.762 0.032 0.000 1.451 1097 H HN 0.276 nan 8.280 nan 0.000 0.430 1098 A N 0.613 123.690 122.820 0.429 0.000 2.392 1098 A HA 0.515 4.835 4.320 -0.000 0.000 0.217 1098 A C 0.870 178.676 177.584 0.369 0.000 2.391 1098 A CA 0.088 52.319 52.037 0.323 0.000 1.329 1098 A CB -0.029 19.095 19.000 0.207 0.000 1.199 1098 A HN 0.737 nan 8.150 nan 0.000 0.527 1099 L N 1.021 122.392 121.223 0.246 0.000 3.555 1099 L HA -0.175 4.165 4.340 -0.000 0.000 0.538 1099 L C -1.019 175.889 176.870 0.063 0.000 1.001 1099 L CA 0.718 55.582 54.840 0.039 0.000 1.130 1099 L CB -1.074 40.792 42.059 -0.322 0.000 0.876 1099 L HN 0.563 nan 8.230 nan 0.000 0.674 1100 D N 8.079 128.515 120.400 0.060 0.000 2.365 1100 D HA 0.291 4.931 4.640 -0.000 0.000 0.237 1100 D C -1.342 174.992 176.300 0.057 0.000 1.190 1100 D CA -1.765 52.291 54.000 0.092 0.000 0.867 1100 D CB 1.110 41.964 40.800 0.091 0.000 1.050 1100 D HN 0.400 nan 8.370 nan 0.000 0.491 1101 P HA -0.197 nan 4.420 nan 0.000 0.214 1101 P C 1.826 179.137 177.300 0.018 0.000 1.163 1101 P CA 0.650 63.739 63.100 -0.018 0.000 0.889 1101 P CB 0.449 32.166 31.700 0.029 0.000 0.790 1102 I N -1.349 119.260 120.570 0.064 0.000 2.208 1102 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 1102 I C 2.671 178.840 176.117 0.087 0.000 1.097 1102 I CA 1.661 63.002 61.300 0.069 0.000 1.363 1102 I CB -1.406 36.644 38.000 0.082 0.000 1.051 1102 I HN -0.046 nan 8.210 nan 0.000 0.413 1103 Y N 1.769 122.063 120.300 -0.010 0.000 2.242 1103 Y HA -0.193 4.357 4.550 -0.000 0.000 0.291 1103 Y C 2.601 178.480 175.900 -0.035 0.000 1.137 1103 Y CA 1.801 59.892 58.100 -0.015 0.000 1.181 1103 Y CB -0.068 38.382 38.460 -0.016 0.000 0.989 1103 Y HN 0.120 nan 8.280 nan 0.000 0.527 1104 A N 0.495 123.293 122.820 -0.038 0.000 1.933 1104 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 1104 A C 2.308 179.798 177.584 -0.156 0.000 1.175 1104 A CA 1.735 53.685 52.037 -0.145 0.000 0.628 1104 A CB -0.702 18.218 19.000 -0.133 0.000 0.814 1104 A HN 0.525 nan 8.150 nan 0.000 0.444 1105 R N -0.401 120.040 120.500 -0.100 0.000 2.092 1105 R HA -0.067 4.273 4.340 -0.000 0.000 0.231 1105 R C 2.058 178.303 176.300 -0.092 0.000 1.119 1105 R CA 1.479 57.531 56.100 -0.079 0.000 0.970 1105 R CB -0.162 30.113 30.300 -0.041 0.000 0.864 1105 R HN 0.465 nan 8.270 nan 0.000 0.440 1106 K N 0.263 120.596 120.400 -0.111 0.000 2.148 1106 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 1106 K C 2.026 178.518 176.600 -0.179 0.000 1.050 1106 K CA 0.771 56.987 56.287 -0.118 0.000 0.942 1106 K CB 0.012 32.454 32.500 -0.097 0.000 0.724 1106 K HN 0.230 nan 8.250 nan 0.000 0.446 1107 L N -0.676 120.376 121.223 -0.285 0.000 2.141 1107 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 1107 L C 1.368 178.142 176.870 -0.160 0.000 1.094 1107 L CA 1.403 56.068 54.840 -0.291 0.000 0.763 1107 L CB 0.035 41.853 42.059 -0.402 0.000 0.908 1107 L HN 0.534 nan 8.230 nan 0.000 0.437 1108 G N -1.464 107.259 108.800 -0.129 0.000 2.370 1108 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.174 1108 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.174 1108 G C -0.049 174.802 174.900 -0.082 0.000 1.002 1108 G CA -0.202 44.846 45.100 -0.086 0.000 0.730 1108 G HN 0.007 nan 8.290 nan 0.000 0.497 1109 V N 1.721 121.574 119.914 -0.101 0.000 2.530 1109 V HA 0.436 4.556 4.120 -0.000 0.000 0.282 1109 V C 0.144 176.187 176.094 -0.084 0.000 1.048 1109 V CA -0.482 61.759 62.300 -0.098 0.000 0.997 1109 V CB 1.727 33.472 31.823 -0.129 0.000 0.987 1109 V HN 0.260 nan 8.190 nan 0.000 0.477 1110 D N 4.380 124.739 120.400 -0.070 0.000 2.435 1110 D HA 0.160 4.800 4.640 -0.000 0.000 0.230 1110 D C 1.024 177.284 176.300 -0.065 0.000 1.215 1110 D CA -0.273 53.693 54.000 -0.057 0.000 0.947 1110 D CB 0.652 41.427 40.800 -0.042 0.000 1.048 1110 D HN 0.288 nan 8.370 nan 0.000 0.512 1111 I N 2.750 123.276 120.570 -0.073 0.000 2.208 1111 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 1111 I C 1.356 177.439 176.117 -0.057 0.000 1.097 1111 I CA 1.134 62.381 61.300 -0.088 0.000 1.363 1111 I CB -0.671 37.276 38.000 -0.089 0.000 1.051 1111 I HN 0.364 nan 8.210 nan 0.000 0.413 1112 D N 0.813 121.193 120.400 -0.034 0.000 2.190 1112 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 1112 D C 1.536 177.829 176.300 -0.012 0.000 0.992 1112 D CA 1.093 55.084 54.000 -0.015 0.000 0.854 1112 D CB -0.200 40.594 40.800 -0.009 0.000 0.936 1112 D HN 0.302 nan 8.370 nan 0.000 0.462 1113 N N -0.209 118.479 118.700 -0.020 0.000 2.353 1113 N HA 0.050 4.790 4.740 -0.000 0.000 0.185 1113 N C 0.104 175.605 175.510 -0.015 0.000 1.098 1113 N CA -0.080 52.962 53.050 -0.014 0.000 0.872 1113 N CB 0.248 38.726 38.487 -0.016 0.000 0.970 1113 N HN 0.192 nan 8.380 nan 0.000 0.467 1114 L N 1.926 123.129 121.223 -0.032 0.000 2.410 1114 L HA 0.222 4.562 4.340 -0.000 0.000 0.273 1114 L C -0.433 176.436 176.870 -0.001 0.000 1.152 1114 L CA -0.097 54.720 54.840 -0.037 0.000 0.855 1114 L CB 0.340 42.338 42.059 -0.101 0.000 1.129 1114 L HN -0.002 nan 8.230 nan 0.000 0.463 1115 L N 6.049 127.288 121.223 0.028 0.000 2.260 1115 L HA 0.274 4.614 4.340 -0.000 0.000 0.289 1115 L C 0.068 177.005 176.870 0.110 0.000 1.057 1115 L CA -0.263 54.612 54.840 0.060 0.000 0.811 1115 L CB 1.097 43.188 42.059 0.054 0.000 1.184 1115 L HN 0.630 nan 8.230 nan 0.000 0.429 1116 C N 3.067 122.445 119.300 0.130 0.000 2.379 1116 C HA 0.747 5.207 4.460 -0.000 0.000 0.323 1116 C C 0.225 175.334 174.990 0.198 0.000 1.262 1116 C CA -0.388 58.761 59.018 0.219 0.000 1.581 1116 C CB 1.310 29.183 27.740 0.222 0.000 2.221 1116 C HN 0.837 nan 8.230 nan 0.000 0.497 1117 S N 4.339 120.153 115.700 0.189 0.000 2.519 1117 S HA 0.536 5.006 4.470 -0.000 0.000 0.309 1117 S C -0.945 173.733 174.600 0.130 0.000 1.100 1117 S CA -0.279 57.992 58.200 0.119 0.000 1.059 1117 S CB 1.167 64.390 63.200 0.039 0.000 1.008 1117 S HN 0.903 nan 8.310 nan 0.000 0.478 1118 Q N 4.131 124.022 119.800 0.151 0.000 2.788 1118 Q HA 0.346 4.686 4.340 -0.000 0.000 0.261 1118 Q C -2.534 173.560 176.000 0.155 0.000 1.029 1118 Q CA -1.886 54.027 55.803 0.183 0.000 0.848 1118 Q CB 1.301 30.191 28.738 0.254 0.000 1.185 1118 Q HN 0.496 nan 8.270 nan 0.000 0.482 1119 P HA -0.035 nan 4.420 nan 0.000 0.271 1119 P C 0.196 177.560 177.300 0.106 0.000 1.218 1119 P CA -0.175 62.949 63.100 0.041 0.000 0.780 1119 P CB 0.905 32.575 31.700 -0.050 0.000 0.901 1120 D N -0.105 120.326 120.400 0.051 0.000 2.310 1120 D HA -0.063 4.577 4.640 -0.000 0.000 0.212 1120 D C 0.116 176.296 176.300 -0.200 0.000 0.965 1120 D CA 1.208 55.239 54.000 0.052 0.000 0.879 1120 D CB 0.565 41.414 40.800 0.082 0.000 0.921 1120 D HN 0.398 nan 8.370 nan 0.000 0.510 1121 T N -3.455 110.933 114.554 -0.277 0.000 2.774 1121 T HA 0.338 4.688 4.350 -0.000 0.000 0.325 1121 T C 1.022 175.524 174.700 -0.329 0.000 1.753 1121 T CA 0.051 61.862 62.100 -0.481 0.000 1.024 1121 T CB 0.720 69.342 68.868 -0.409 0.000 1.628 1121 T HN -0.061 nan 8.240 nan 0.000 0.497 1122 G N 1.417 110.005 108.800 -0.354 0.000 2.721 1122 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 1122 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 1122 G C 0.982 175.788 174.900 -0.158 0.000 1.265 1122 G CA 1.993 46.962 45.100 -0.218 0.000 0.796 1122 G HN 0.845 nan 8.290 nan 0.000 0.620 1123 E N -0.170 119.945 120.200 -0.143 0.000 2.038 1123 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 1123 E C 2.532 179.049 176.600 -0.138 0.000 1.000 1123 E CA 1.485 57.822 56.400 -0.104 0.000 0.803 1123 E CB -0.315 29.343 29.700 -0.069 0.000 0.750 1123 E HN 0.661 nan 8.360 nan 0.000 0.448 1124 Q N 0.233 119.927 119.800 -0.177 0.000 2.133 1124 Q HA -0.298 4.042 4.340 -0.000 0.000 0.208 1124 Q C 2.055 177.845 176.000 -0.350 0.000 0.991 1124 Q CA 1.895 57.519 55.803 -0.298 0.000 0.867 1124 Q CB -0.240 28.346 28.738 -0.254 0.000 0.911 1124 Q HN 0.305 nan 8.270 nan 0.000 0.417 1125 A N 0.919 123.603 122.820 -0.226 0.000 1.851 1125 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 1125 A C 2.091 179.595 177.584 -0.134 0.000 1.195 1125 A CA 1.691 53.626 52.037 -0.169 0.000 0.622 1125 A CB -1.053 17.881 19.000 -0.111 0.000 0.831 1125 A HN 0.501 nan 8.150 nan 0.000 0.444 1126 L N -0.790 120.382 121.223 -0.084 0.000 2.129 1126 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 1126 L C 2.471 179.319 176.870 -0.036 0.000 1.087 1126 L CA 1.795 56.624 54.840 -0.018 0.000 0.757 1126 L CB -0.502 41.556 42.059 -0.002 0.000 0.896 1126 L HN 0.525 nan 8.230 nan 0.000 0.434 1127 E N -0.361 119.777 120.200 -0.104 0.000 2.371 1127 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 1127 E C 2.152 178.701 176.600 -0.085 0.000 1.012 1127 E CA 0.440 56.804 56.400 -0.061 0.000 0.860 1127 E CB 0.153 29.840 29.700 -0.020 0.000 0.811 1127 E HN 0.520 nan 8.360 nan 0.000 0.502 1128 I N 0.527 120.966 120.570 -0.218 0.000 2.761 1128 I HA -0.225 3.945 4.170 -0.000 0.000 0.261 1128 I C 1.957 178.056 176.117 -0.030 0.000 1.198 1128 I CA 0.297 61.511 61.300 -0.143 0.000 1.482 1128 I CB -0.072 37.804 38.000 -0.207 0.000 1.100 1128 I HN 0.261 nan 8.210 nan 0.000 0.445 1129 C N 0.029 119.308 119.300 -0.035 0.000 2.476 1129 C HA -0.126 4.334 4.460 -0.000 0.000 0.278 1129 C C 2.434 177.433 174.990 0.015 0.000 1.274 1129 C CA 0.038 59.046 59.018 -0.018 0.000 1.713 1129 C CB -0.980 26.743 27.740 -0.029 0.000 2.039 1129 C HN 0.479 nan 8.230 nan 0.000 0.484 1130 D N 1.238 121.660 120.400 0.036 0.000 2.191 1130 D HA -0.183 4.457 4.640 -0.000 0.000 0.190 1130 D C 2.196 178.533 176.300 0.062 0.000 1.007 1130 D CA 2.360 56.395 54.000 0.058 0.000 0.865 1130 D CB -0.316 40.533 40.800 0.082 0.000 0.929 1130 D HN 0.571 nan 8.370 nan 0.000 0.447 1131 A N -0.521 122.349 122.820 0.084 0.000 2.132 1131 A HA 0.101 4.421 4.320 -0.000 0.000 0.213 1131 A C 2.272 179.892 177.584 0.061 0.000 1.154 1131 A CA 0.076 52.166 52.037 0.088 0.000 0.753 1131 A CB -0.164 18.923 19.000 0.145 0.000 0.826 1131 A HN 0.208 nan 8.150 nan 0.000 0.469 1132 L N -1.000 120.250 121.223 0.045 0.000 2.492 1132 L HA 0.019 4.359 4.340 -0.000 0.000 0.223 1132 L C 2.740 179.619 176.870 0.015 0.000 1.132 1132 L CA 0.591 55.447 54.840 0.027 0.000 0.850 1132 L CB -0.175 41.893 42.059 0.015 0.000 0.966 1132 L HN 0.425 nan 8.230 nan 0.000 0.454 1133 A N 0.474 123.303 122.820 0.016 0.000 1.855 1133 A HA -0.062 4.258 4.320 -0.000 0.000 0.213 1133 A C 1.724 179.318 177.584 0.016 0.000 1.195 1133 A CA 0.561 52.604 52.037 0.011 0.000 0.610 1133 A CB -0.243 18.765 19.000 0.014 0.000 0.837 1133 A HN 0.301 nan 8.150 nan 0.000 0.444 1134 R N 0.395 120.910 120.500 0.025 0.000 4.739 1134 R HA 0.138 4.478 4.340 -0.000 0.000 0.203 1134 R C 0.844 177.158 176.300 0.023 0.000 2.125 1134 R CA 0.549 56.664 56.100 0.024 0.000 1.743 1134 R CB -0.282 30.036 30.300 0.029 0.000 1.271 1134 R HN 0.482 nan 8.270 nan 0.000 0.746 1135 S N -1.302 114.409 115.700 0.019 0.000 2.931 1135 S HA 0.208 4.678 4.470 -0.000 0.000 0.251 1135 S C 1.482 176.088 174.600 0.011 0.000 1.078 1135 S CA 0.716 58.926 58.200 0.017 0.000 0.835 1135 S CB 0.510 63.721 63.200 0.019 0.000 0.798 1135 S HN 0.550 nan 8.310 nan 0.000 0.495 1136 G N 1.149 109.954 108.800 0.007 0.000 2.336 1136 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.233 1136 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.233 1136 G C 0.807 175.707 174.900 0.001 0.000 1.053 1136 G CA 0.214 45.316 45.100 0.003 0.000 0.625 1136 G HN 1.437 nan 8.290 nan 0.000 0.511 1137 A N 0.096 122.918 122.820 0.003 0.000 2.507 1137 A HA 0.704 5.024 4.320 -0.000 0.000 0.270 1137 A C 0.478 178.064 177.584 0.003 0.000 1.318 1137 A CA 0.726 52.764 52.037 0.002 0.000 0.924 1137 A CB 0.355 19.357 19.000 0.004 0.000 1.061 1137 A HN 1.001 nan 8.150 nan 0.000 0.516 1138 V N 0.918 120.833 119.914 0.002 0.000 2.328 1138 V HA 0.174 4.294 4.120 -0.000 0.000 0.278 1138 V C -0.007 176.082 176.094 -0.007 0.000 1.021 1138 V CA -0.234 62.067 62.300 0.000 0.000 0.838 1138 V CB 1.024 32.849 31.823 0.004 0.000 0.999 1138 V HN 0.570 nan 8.190 nan 0.000 0.447 1139 D N 2.977 123.371 120.400 -0.010 0.000 2.197 1139 D HA 0.060 4.700 4.640 -0.000 0.000 0.212 1139 D C 0.513 176.798 176.300 -0.024 0.000 0.963 1139 D CA 0.823 54.813 54.000 -0.017 0.000 0.864 1139 D CB 0.382 41.172 40.800 -0.016 0.000 1.009 1139 D HN 0.522 nan 8.370 nan 0.000 0.479 1140 V N -0.839 119.060 119.914 -0.024 0.000 2.638 1140 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 1140 V C -0.830 175.245 176.094 -0.032 0.000 1.052 1140 V CA -0.981 61.298 62.300 -0.034 0.000 0.885 1140 V CB 2.210 34.013 31.823 -0.034 0.000 0.999 1140 V HN -0.043 nan 8.190 nan 0.000 0.424 1141 I N 4.454 124.986 120.570 -0.063 0.000 2.359 1141 I HA 0.539 4.709 4.170 -0.000 0.000 0.294 1141 I C -0.742 175.311 176.117 -0.107 0.000 0.987 1141 I CA -0.825 60.427 61.300 -0.080 0.000 1.225 1141 I CB 2.103 40.031 38.000 -0.122 0.000 1.366 1141 I HN 0.488 nan 8.210 nan 0.000 0.466 1142 V N 7.581 127.458 119.914 -0.063 0.000 2.444 1142 V HA 0.333 4.453 4.120 -0.000 0.000 0.294 1142 V C -0.232 175.751 176.094 -0.186 0.000 1.022 1142 V CA -0.575 61.687 62.300 -0.065 0.000 0.850 1142 V CB 2.132 34.021 31.823 0.111 0.000 0.992 1142 V HN 0.379 nan 8.190 nan 0.000 0.426 1143 V N 3.733 123.532 119.914 -0.193 0.000 2.384 1143 V HA 0.523 4.643 4.120 -0.000 0.000 0.287 1143 V C -0.534 175.505 176.094 -0.092 0.000 1.020 1143 V CA -0.488 61.715 62.300 -0.161 0.000 0.850 1143 V CB 1.760 33.567 31.823 -0.027 0.000 0.987 1143 V HN 0.798 nan 8.190 nan 0.000 0.436 1144 D N 3.574 123.845 120.400 -0.216 0.000 2.408 1144 D HA 0.580 5.220 4.640 -0.000 0.000 0.261 1144 D C -0.524 175.713 176.300 -0.106 0.000 1.190 1144 D CA 0.218 54.127 54.000 -0.152 0.000 0.910 1144 D CB 1.475 42.121 40.800 -0.256 0.000 1.097 1144 D HN 0.786 nan 8.370 nan 0.000 0.522 1145 S N 0.079 115.760 115.700 -0.032 0.000 2.565 1145 S HA 0.263 4.733 4.470 -0.000 0.000 0.274 1145 S C 1.023 175.630 174.600 0.012 0.000 1.144 1145 S CA -0.565 57.647 58.200 0.020 0.000 0.849 1145 S CB 1.130 64.347 63.200 0.028 0.000 1.103 1145 S HN -0.047 nan 8.310 nan 0.000 0.455 1146 V N 1.714 121.634 119.914 0.009 0.000 2.308 1146 V HA -0.430 3.690 4.120 -0.000 0.000 0.251 1146 V C 3.059 179.117 176.094 -0.060 0.000 1.055 1146 V CA 3.371 65.623 62.300 -0.079 0.000 1.105 1146 V CB -1.868 29.888 31.823 -0.111 0.000 0.785 1146 V HN 1.330 nan 8.190 nan 0.000 0.479 1147 A N -0.531 122.266 122.820 -0.039 0.000 1.986 1147 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 1147 A C 2.192 179.772 177.584 -0.007 0.000 1.171 1147 A CA 2.557 54.577 52.037 -0.029 0.000 0.640 1147 A CB -0.733 18.254 19.000 -0.022 0.000 0.811 1147 A HN 0.979 nan 8.150 nan 0.000 0.451 1148 A N -1.242 121.581 122.820 0.006 0.000 2.208 1148 A HA 0.330 4.650 4.320 -0.000 0.000 0.209 1148 A C 0.853 178.485 177.584 0.079 0.000 1.161 1148 A CA 0.224 52.288 52.037 0.044 0.000 0.782 1148 A CB -0.136 18.875 19.000 0.019 0.000 0.816 1148 A HN 0.289 nan 8.150 nan 0.000 0.477 1149 L N 2.741 123.971 121.223 0.011 0.000 2.650 1149 L HA 0.091 4.431 4.340 -0.000 0.000 0.239 1149 L C 0.395 177.222 176.870 -0.072 0.000 1.412 1149 L CA 0.583 55.403 54.840 -0.033 0.000 1.219 1149 L CB -1.847 40.178 42.059 -0.055 0.000 1.534 1149 L HN 0.339 nan 8.230 nan 0.000 0.430 1150 T N -0.281 114.248 114.554 -0.041 0.000 2.769 1150 T HA 0.321 4.671 4.350 -0.000 0.000 0.293 1150 T C -2.154 172.425 174.700 -0.201 0.000 0.931 1150 T CA -1.500 60.561 62.100 -0.066 0.000 1.139 1150 T CB 0.524 69.432 68.868 0.067 0.000 0.881 1150 T HN 0.126 nan 8.240 nan 0.000 0.532 1151 P HA 0.199 nan 4.420 nan 0.000 0.272 1151 P C 0.939 178.136 177.300 -0.172 0.000 1.248 1151 P CA -0.619 62.387 63.100 -0.157 0.000 0.799 1151 P CB 0.698 32.337 31.700 -0.102 0.000 0.997 1152 K N 0.755 121.072 120.400 -0.139 0.000 1.991 1152 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 1152 K C 2.115 178.667 176.600 -0.080 0.000 1.049 1152 K CA 2.219 58.436 56.287 -0.116 0.000 0.932 1152 K CB -1.157 31.303 32.500 -0.067 0.000 0.717 1152 K HN 0.420 nan 8.250 nan 0.000 0.441 1153 A N 1.220 124.006 122.820 -0.056 0.000 1.958 1153 A HA -0.305 4.015 4.320 -0.000 0.000 0.221 1153 A C 1.958 179.523 177.584 -0.032 0.000 1.178 1153 A CA 2.077 54.093 52.037 -0.034 0.000 0.642 1153 A CB -0.548 18.434 19.000 -0.030 0.000 0.816 1153 A HN 0.400 nan 8.150 nan 0.000 0.453 1154 E N -0.614 119.558 120.200 -0.046 0.000 2.046 1154 E HA -0.088 4.262 4.350 -0.000 0.000 0.190 1154 E C 1.860 178.441 176.600 -0.031 0.000 0.982 1154 E CA 1.019 57.400 56.400 -0.033 0.000 0.800 1154 E CB -0.265 29.416 29.700 -0.032 0.000 0.756 1154 E HN 0.710 nan 8.360 nan 0.000 0.449 1155 I N 0.867 121.394 120.570 -0.072 0.000 2.502 1155 I HA -0.230 3.940 4.170 -0.000 0.000 0.258 1155 I C 0.482 176.584 176.117 -0.025 0.000 1.172 1155 I CA 1.043 62.289 61.300 -0.090 0.000 1.430 1155 I CB -0.089 37.765 38.000 -0.243 0.000 1.086 1155 I HN 0.066 nan 8.210 nan 0.000 0.440 1166 L N 0.468 121.668 121.223 -0.039 0.000 2.641 1166 L HA 0.351 4.691 4.340 -0.000 0.000 0.207 1166 L C 2.377 179.219 176.870 -0.046 0.000 1.049 1166 L CA 0.724 55.540 54.840 -0.040 0.000 0.866 1166 L CB 0.271 42.310 42.059 -0.034 0.000 1.264 1166 L HN 0.391 nan 8.230 nan 0.000 0.483 1167 A N 0.601 123.393 122.820 -0.046 0.000 2.081 1167 A HA 0.165 4.485 4.320 -0.000 0.000 0.213 1167 A C 1.810 179.356 177.584 -0.064 0.000 1.374 1167 A CA 0.843 52.849 52.037 -0.053 0.000 1.203 1167 A CB -0.794 18.174 19.000 -0.054 0.000 0.786 1167 A HN 0.371 nan 8.150 nan 0.000 0.535 1168 A N -0.219 122.563 122.820 -0.064 0.000 2.168 1168 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 1168 A C 2.073 179.610 177.584 -0.077 0.000 1.152 1168 A CA 0.887 52.879 52.037 -0.075 0.000 0.716 1168 A CB -0.281 18.677 19.000 -0.069 0.000 0.794 1168 A HN 0.606 nan 8.150 nan 0.000 0.465 1169 R N -0.907 119.553 120.500 -0.066 0.000 2.148 1169 R HA -0.016 4.324 4.340 -0.000 0.000 0.223 1169 R C 2.182 178.442 176.300 -0.067 0.000 1.088 1169 R CA 1.206 57.267 56.100 -0.064 0.000 0.985 1169 R CB -0.344 29.925 30.300 -0.053 0.000 0.880 1169 R HN 0.676 nan 8.270 nan 0.000 0.451 1170 M N -0.016 119.544 119.600 -0.068 0.000 2.202 1170 M HA -0.232 4.248 4.480 -0.000 0.000 0.262 1170 M C 1.649 177.901 176.300 -0.080 0.000 1.063 1170 M CA 1.625 56.884 55.300 -0.069 0.000 1.097 1170 M CB 0.017 32.572 32.600 -0.074 0.000 1.382 1170 M HN 0.187 nan 8.290 nan 0.000 0.413 1171 M N 0.081 119.620 119.600 -0.101 0.000 2.062 1171 M HA -0.135 4.345 4.480 -0.000 0.000 0.259 1171 M C 2.228 178.458 176.300 -0.118 0.000 1.076 1171 M CA 1.792 57.015 55.300 -0.129 0.000 1.122 1171 M CB -1.129 31.370 32.600 -0.169 0.000 1.312 1171 M HN 0.317 nan 8.290 nan 0.000 0.412 1172 S N 0.435 116.064 115.700 -0.118 0.000 2.407 1172 S HA -0.243 4.227 4.470 -0.000 0.000 0.235 1172 S C 1.574 176.101 174.600 -0.123 0.000 1.036 1172 S CA 1.522 59.639 58.200 -0.138 0.000 1.013 1172 S CB -0.447 62.687 63.200 -0.111 0.000 0.820 1172 S HN 0.412 nan 8.310 nan 0.000 0.476 1173 Q N 1.598 121.349 119.800 -0.082 0.000 1.579 1173 Q HA 0.054 4.394 4.340 -0.000 0.000 0.490 1173 Q C 1.948 177.926 176.000 -0.036 0.000 0.970 1173 Q CA 1.551 57.322 55.803 -0.052 0.000 0.898 1173 Q CB -0.597 28.118 28.738 -0.038 0.000 0.936 1173 Q HN 0.442 nan 8.270 nan 0.000 0.385 1174 A N -0.227 122.584 122.820 -0.015 0.000 2.263 1174 A HA -0.056 4.264 4.320 -0.000 0.000 0.205 1174 A C 1.573 179.180 177.584 0.037 0.000 1.226 1174 A CA 0.847 52.894 52.037 0.017 0.000 0.810 1174 A CB -0.710 18.305 19.000 0.025 0.000 0.784 1174 A HN 0.609 nan 8.150 nan 0.000 0.486 1175 M N -0.300 119.301 119.600 0.001 0.000 2.073 1175 M HA -0.010 4.470 4.480 -0.000 0.000 0.259 1175 M C 2.052 178.414 176.300 0.103 0.000 1.079 1175 M CA 1.528 56.841 55.300 0.023 0.000 1.131 1175 M CB -0.479 32.044 32.600 -0.129 0.000 1.316 1175 M HN 0.362 nan 8.290 nan 0.000 0.415 1176 R N 0.613 121.123 120.500 0.016 0.000 2.189 1176 R HA -0.264 4.076 4.340 -0.000 0.000 0.252 1176 R C 2.100 178.544 176.300 0.241 0.000 1.134 1176 R CA 2.557 58.787 56.100 0.218 0.000 0.954 1176 R CB -0.744 29.611 30.300 0.092 0.000 0.890 1176 R HN 0.498 nan 8.270 nan 0.000 0.443 1177 K N -0.001 120.480 120.400 0.136 0.000 2.103 1177 K HA -0.016 4.304 4.320 -0.000 0.000 0.204 1177 K C 2.218 178.882 176.600 0.107 0.000 1.052 1177 K CA 0.764 57.115 56.287 0.106 0.000 0.945 1177 K CB -0.134 32.410 32.500 0.074 0.000 0.722 1177 K HN 0.152 nan 8.250 nan 0.000 0.443 1178 L N 0.674 121.972 121.223 0.124 0.000 2.127 1178 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 1178 L C 2.431 179.364 176.870 0.104 0.000 1.089 1178 L CA 0.878 55.784 54.840 0.110 0.000 0.757 1178 L CB -0.521 41.617 42.059 0.130 0.000 0.899 1178 L HN 0.252 nan 8.230 nan 0.000 0.434 1179 A N 0.249 123.156 122.820 0.146 0.000 1.869 1179 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 1179 A C 2.320 179.925 177.584 0.035 0.000 1.203 1179 A CA 2.249 54.336 52.037 0.084 0.000 0.638 1179 A CB -1.425 17.603 19.000 0.047 0.000 0.831 1179 A HN 0.470 nan 8.150 nan 0.000 0.450 1180 G N -0.596 108.230 108.800 0.042 0.000 2.464 1180 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.214 1180 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.214 1180 G C 1.326 176.240 174.900 0.024 0.000 1.218 1180 G CA 1.031 46.147 45.100 0.026 0.000 0.794 1180 G HN 0.672 nan 8.290 nan 0.000 0.542 1181 N N 0.183 118.902 118.700 0.033 0.000 2.242 1181 N HA -0.118 4.622 4.740 -0.000 0.000 0.191 1181 N C 2.037 177.557 175.510 0.017 0.000 1.005 1181 N CA 0.977 54.044 53.050 0.027 0.000 0.877 1181 N CB -0.156 38.353 38.487 0.036 0.000 0.983 1181 N HN 0.325 nan 8.380 nan 0.000 0.439 1182 L N -0.260 120.971 121.223 0.013 0.000 2.253 1182 L HA 0.049 4.389 4.340 -0.000 0.000 0.205 1182 L C 2.253 179.120 176.870 -0.005 0.000 1.078 1182 L CA 0.574 55.414 54.840 -0.000 0.000 0.805 1182 L CB -0.119 41.936 42.059 -0.005 0.000 0.963 1182 L HN 0.018 nan 8.230 nan 0.000 0.459 1183 K N 0.556 120.954 120.400 -0.003 0.000 2.097 1183 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 1183 K C 1.358 177.955 176.600 -0.005 0.000 1.050 1183 K CA 1.219 57.502 56.287 -0.007 0.000 0.938 1183 K CB 0.164 32.658 32.500 -0.009 0.000 0.718 1183 K HN 0.202 nan 8.250 nan 0.000 0.442 1184 Q N -0.476 119.324 119.800 -0.001 0.000 2.244 1184 Q HA 0.152 4.492 4.340 -0.000 0.000 0.239 1184 Q C -0.020 175.980 176.000 0.001 0.000 0.890 1184 Q CA -0.107 55.696 55.803 0.001 0.000 0.964 1184 Q CB 0.970 29.710 28.738 0.004 0.000 1.076 1184 Q HN 0.137 nan 8.270 nan 0.000 0.447 1185 S N -0.859 114.840 115.700 -0.002 0.000 2.692 1185 S HA 0.063 4.533 4.470 -0.000 0.000 0.269 1185 S C 0.088 174.684 174.600 -0.007 0.000 1.080 1185 S CA -0.452 57.747 58.200 -0.002 0.000 1.058 1185 S CB 0.461 63.660 63.200 -0.001 0.000 0.982 1185 S HN 0.378 nan 8.310 nan 0.000 0.534 1186 N N 2.288 120.982 118.700 -0.010 0.000 2.725 1186 N HA -0.117 4.623 4.740 -0.000 0.000 0.251 1186 N C -1.220 174.279 175.510 -0.018 0.000 1.031 1186 N CA 0.841 53.882 53.050 -0.014 0.000 0.720 1186 N CB -1.386 37.093 38.487 -0.013 0.000 0.930 1186 N HN 0.339 nan 8.380 nan 0.000 0.543 1187 T N 0.969 115.511 114.554 -0.019 0.000 2.733 1187 T HA 0.411 4.761 4.350 -0.000 0.000 0.294 1187 T C 0.289 174.966 174.700 -0.038 0.000 0.956 1187 T CA -0.591 61.493 62.100 -0.026 0.000 0.987 1187 T CB 1.072 69.927 68.868 -0.022 0.000 0.920 1187 T HN 0.255 nan 8.240 nan 0.000 0.470 1188 L N 5.850 127.046 121.223 -0.045 0.000 2.281 1188 L HA 0.678 5.018 4.340 -0.000 0.000 0.285 1188 L C -0.817 176.000 176.870 -0.088 0.000 1.074 1188 L CA -0.352 54.453 54.840 -0.059 0.000 0.817 1188 L CB 0.401 42.429 42.059 -0.052 0.000 1.168 1188 L HN 0.631 nan 8.230 nan 0.000 0.434 1189 L N 6.031 127.182 121.223 -0.121 0.000 2.346 1189 L HA 0.687 5.027 4.340 -0.000 0.000 0.274 1189 L C -1.254 175.465 176.870 -0.251 0.000 1.007 1189 L CA -0.450 54.264 54.840 -0.211 0.000 0.818 1189 L CB 1.591 43.487 42.059 -0.271 0.000 1.284 1189 L HN 0.698 nan 8.230 nan 0.000 0.424 1190 I N 4.101 124.489 120.570 -0.304 0.000 2.447 1190 I HA 0.370 4.540 4.170 -0.000 0.000 0.287 1190 I C -1.195 174.757 176.117 -0.276 0.000 1.023 1190 I CA -0.289 60.882 61.300 -0.216 0.000 1.083 1190 I CB 1.768 39.711 38.000 -0.096 0.000 1.245 1190 I HN 0.432 nan 8.210 nan 0.000 0.434 1191 F N 6.498 126.437 119.950 -0.019 0.000 2.450 1191 F HA 0.583 5.110 4.527 -0.000 0.000 0.332 1191 F C 0.176 175.971 175.800 -0.008 0.000 1.093 1191 F CA -0.807 57.182 58.000 -0.019 0.000 1.003 1191 F CB 1.442 40.435 39.000 -0.011 0.000 1.151 1191 F HN 0.099 nan 8.300 nan 0.000 0.474 1192 I N 2.711 123.417 120.570 0.227 0.000 2.433 1192 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 1192 I C -0.449 175.732 176.117 0.106 0.000 1.001 1192 I CA -0.713 60.667 61.300 0.133 0.000 1.119 1192 I CB 1.786 39.841 38.000 0.092 0.000 1.289 1192 I HN 0.480 nan 8.210 nan 0.000 0.438 1193 N N 3.915 122.680 118.700 0.108 0.000 3.091 1193 N HA 0.565 5.305 4.740 -0.000 0.000 0.329 1193 N C -1.314 174.229 175.510 0.054 0.000 1.430 1193 N CA -0.478 52.610 53.050 0.063 0.000 0.755 1193 N CB 1.814 40.337 38.487 0.059 0.000 1.626 1193 N HN 0.630 nan 8.380 nan 0.000 0.614 1212 G N -0.434 108.301 108.800 -0.108 0.000 2.420 1212 G HA2 0.439 4.399 3.960 -0.000 0.000 0.331 1212 G HA3 0.439 4.399 3.960 -0.000 0.000 0.331 1212 G C 0.442 175.305 174.900 -0.062 0.000 1.168 1212 G CA 0.089 45.135 45.100 -0.090 0.000 0.936 1212 G HN 0.428 nan 8.290 nan 0.000 0.479 1213 N N 1.075 119.760 118.700 -0.025 0.000 2.192 1213 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 1213 N C 2.412 177.984 175.510 0.104 0.000 1.013 1213 N CA 1.655 54.730 53.050 0.041 0.000 0.863 1213 N CB -0.081 38.444 38.487 0.065 0.000 0.990 1213 N HN 0.568 nan 8.380 nan 0.000 0.430 1214 A N 0.939 123.781 122.820 0.038 0.000 1.835 1214 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 1214 A C 2.175 179.819 177.584 0.101 0.000 1.199 1214 A CA 1.411 53.471 52.037 0.039 0.000 0.615 1214 A CB -1.181 17.743 19.000 -0.127 0.000 0.838 1214 A HN 0.323 nan 8.150 nan 0.000 0.444 1215 L N 0.415 121.637 121.223 -0.000 0.000 2.123 1215 L HA -0.268 4.072 4.340 -0.000 0.000 0.217 1215 L C 2.223 179.125 176.870 0.053 0.000 1.081 1215 L CA 2.727 57.583 54.840 0.028 0.000 0.772 1215 L CB -0.769 41.227 42.059 -0.104 0.000 0.890 1215 L HN 0.547 nan 8.230 nan 0.000 0.437 1216 K N -2.036 118.341 120.400 -0.038 0.000 2.366 1216 K HA -0.232 4.088 4.320 -0.000 0.000 0.202 1216 K C 1.356 177.701 176.600 -0.424 0.000 1.045 1216 K CA 1.950 58.083 56.287 -0.258 0.000 0.934 1216 K CB -0.117 32.126 32.500 -0.429 0.000 0.746 1216 K HN 0.457 nan 8.250 nan 0.000 0.470 1217 F N -2.791 117.265 119.950 0.176 0.000 2.581 1217 F HA 0.120 4.647 4.527 -0.000 0.000 0.278 1217 F C 1.363 177.312 175.800 0.250 0.000 1.000 1217 F CA -0.353 57.778 58.000 0.217 0.000 1.230 1217 F CB -0.108 39.033 39.000 0.236 0.000 1.008 1217 F HN -0.118 nan 8.300 nan 0.000 0.695 1218 Y N 1.174 121.612 120.300 0.230 0.000 2.639 1218 Y HA 0.210 4.760 4.550 -0.000 0.000 0.297 1218 Y C 1.412 177.376 175.900 0.106 0.000 1.151 1218 Y CA -0.187 58.002 58.100 0.148 0.000 1.335 1218 Y CB -0.235 38.305 38.460 0.133 0.000 0.994 1218 Y HN -0.052 nan 8.280 nan 0.000 0.548 1219 A N -0.142 122.798 122.820 0.201 0.000 2.450 1219 A HA 0.147 4.467 4.320 -0.000 0.000 0.255 1219 A C 1.139 178.741 177.584 0.029 0.000 1.096 1219 A CA 0.118 52.213 52.037 0.096 0.000 0.778 1219 A CB 0.328 19.352 19.000 0.041 0.000 1.031 1219 A HN 0.339 nan 8.150 nan 0.000 0.494 1220 S N 1.029 116.731 115.700 0.004 0.000 2.425 1220 S HA 0.115 4.585 4.470 -0.000 0.000 0.225 1220 S C 0.608 175.173 174.600 -0.058 0.000 1.024 1220 S CA 0.788 58.973 58.200 -0.025 0.000 0.951 1220 S CB 0.017 63.201 63.200 -0.027 0.000 0.796 1220 S HN 0.667 nan 8.310 nan 0.000 0.498 1221 V N 1.390 121.260 119.914 -0.073 0.000 2.888 1221 V HA 0.539 4.659 4.120 -0.000 0.000 0.309 1221 V C -1.506 174.501 176.094 -0.145 0.000 1.114 1221 V CA -0.881 61.349 62.300 -0.118 0.000 0.940 1221 V CB 2.200 33.961 31.823 -0.103 0.000 1.021 1221 V HN 0.134 nan 8.190 nan 0.000 0.426 1222 R N 4.307 124.677 120.500 -0.218 0.000 2.575 1222 R HA 0.608 4.948 4.340 -0.000 0.000 0.293 1222 R C -2.014 174.083 176.300 -0.338 0.000 0.983 1222 R CA -0.813 55.122 56.100 -0.275 0.000 0.887 1222 R CB 2.088 32.186 30.300 -0.336 0.000 1.184 1222 R HN 0.414 nan 8.270 nan 0.000 0.445 1223 L N 2.213 123.205 121.223 -0.384 0.000 2.322 1223 L HA 0.313 4.653 4.340 -0.000 0.000 0.281 1223 L C -0.350 176.114 176.870 -0.678 0.000 1.014 1223 L CA -0.367 54.243 54.840 -0.383 0.000 0.815 1223 L CB 1.544 43.477 42.059 -0.210 0.000 1.247 1223 L HN 0.439 nan 8.230 nan 0.000 0.421 1224 D N 4.199 124.303 120.400 -0.493 0.000 2.477 1224 D HA 0.228 4.868 4.640 -0.000 0.000 0.239 1224 D C -0.548 175.724 176.300 -0.047 0.000 1.102 1224 D CA -0.256 53.560 54.000 -0.305 0.000 0.901 1224 D CB 0.575 41.347 40.800 -0.048 0.000 1.026 1224 D HN 0.429 nan 8.370 nan 0.000 0.515 1225 I N 3.105 123.672 120.570 -0.004 0.000 2.428 1225 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 1225 I C 0.081 176.224 176.117 0.044 0.000 1.019 1225 I CA -0.362 60.950 61.300 0.020 0.000 1.351 1225 I CB 0.435 38.450 38.000 0.025 0.000 1.412 1225 I HN 0.216 nan 8.210 nan 0.000 0.513 1226 R N 5.655 126.160 120.500 0.008 0.000 3.121 1226 R HA 0.625 4.965 4.340 -0.000 0.000 0.242 1226 R C -1.069 175.210 176.300 -0.035 0.000 1.402 1226 R CA -1.148 54.955 56.100 0.005 0.000 1.042 1226 R CB 1.580 31.890 30.300 0.016 0.000 1.410 1226 R HN 0.542 nan 8.270 nan 0.000 0.494 1227 R N 0.903 121.386 120.500 -0.029 0.000 2.548 1227 R HA 0.279 4.619 4.340 -0.000 0.000 0.280 1227 R C -0.066 176.218 176.300 -0.027 0.000 1.061 1227 R CA -0.160 55.914 56.100 -0.043 0.000 0.915 1227 R CB 1.213 31.495 30.300 -0.030 0.000 1.210 1227 R HN 0.721 nan 8.270 nan 0.000 0.442 1228 I N 0.083 120.634 120.570 -0.032 0.000 4.607 1228 I HA 0.502 4.672 4.170 -0.000 0.000 0.324 1228 I C 0.813 176.925 176.117 -0.008 0.000 1.279 1228 I CA 0.267 61.557 61.300 -0.016 0.000 1.286 1228 I CB 1.191 39.182 38.000 -0.015 0.000 1.265 1228 I HN 0.609 nan 8.210 nan 0.000 0.446 1229 G N 1.123 109.917 108.800 -0.010 0.000 2.621 1229 G HA2 0.611 4.571 3.960 -0.000 0.000 0.209 1229 G HA3 0.611 4.571 3.960 -0.000 0.000 0.209 1229 G C 0.456 175.363 174.900 0.011 0.000 1.379 1229 G CA 0.387 45.487 45.100 0.000 0.000 0.766 1229 G HN 0.927 nan 8.290 nan 0.000 0.599 1230 A N -1.647 121.185 122.820 0.021 0.000 2.435 1230 A HA 0.241 4.561 4.320 -0.000 0.000 0.686 1230 A C -0.295 177.300 177.584 0.018 0.000 0.138 1230 A CA 0.115 52.176 52.037 0.039 0.000 0.024 1230 A CB -1.489 17.536 19.000 0.041 0.000 3.974 1230 A HN 1.639 nan 8.150 nan 0.000 0.548 1231 V N 0.644 120.568 119.914 0.017 0.000 3.074 1231 V HA 0.908 5.028 4.120 -0.000 0.000 0.314 1231 V C 0.020 176.101 176.094 -0.022 0.000 1.117 1231 V CA -0.886 61.417 62.300 0.005 0.000 1.014 1231 V CB 2.099 33.937 31.823 0.024 0.000 1.057 1231 V HN 1.064 nan 8.190 nan 0.000 0.438 1232 K N 0.727 121.117 120.400 -0.017 0.000 2.316 1232 K HA 0.570 4.890 4.320 -0.000 0.000 0.251 1232 K C -0.885 175.704 176.600 -0.019 0.000 0.934 1232 K CA -0.620 55.649 56.287 -0.030 0.000 0.802 1232 K CB 2.147 34.631 32.500 -0.027 0.000 1.171 1232 K HN 0.522 nan 8.250 nan 0.000 0.426 1233 E N 2.418 122.602 120.200 -0.026 0.000 2.206 1233 E HA 0.180 4.530 4.350 -0.000 0.000 0.244 1233 E C 0.628 177.218 176.600 -0.017 0.000 1.055 1233 E CA 0.116 56.507 56.400 -0.015 0.000 0.970 1233 E CB 0.672 30.363 29.700 -0.015 0.000 1.256 1233 E HN 0.887 nan 8.360 nan 0.000 0.456 1234 G N 3.397 112.188 108.800 -0.014 0.000 2.950 1234 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.299 1234 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.299 1234 G C 0.844 175.733 174.900 -0.019 0.000 1.310 1234 G CA 0.184 45.275 45.100 -0.015 0.000 0.994 1234 G HN 0.445 nan 8.290 nan 0.000 0.575 1235 E N 1.712 121.899 120.200 -0.022 0.000 2.447 1235 E HA 0.137 4.487 4.350 -0.000 0.000 0.204 1235 E C 1.063 177.641 176.600 -0.038 0.000 0.977 1235 E CA -0.026 56.359 56.400 -0.026 0.000 0.950 1235 E CB -0.005 29.682 29.700 -0.021 0.000 0.975 1235 E HN 0.583 nan 8.360 nan 0.000 0.496 1236 N N 0.251 118.924 118.700 -0.044 0.000 2.416 1236 N HA 0.024 4.764 4.740 -0.000 0.000 0.246 1236 N C -0.631 174.822 175.510 -0.094 0.000 1.260 1236 N CA 0.149 53.159 53.050 -0.067 0.000 0.897 1236 N CB 1.126 39.574 38.487 -0.065 0.000 1.110 1236 N HN -0.229 nan 8.380 nan 0.000 0.439 1237 V N 2.681 122.508 119.914 -0.145 0.000 2.294 1237 V HA 0.132 4.252 4.120 -0.000 0.000 0.272 1237 V C 0.342 176.196 176.094 -0.399 0.000 1.027 1237 V CA -0.187 61.990 62.300 -0.206 0.000 0.823 1237 V CB 1.111 32.830 31.823 -0.173 0.000 1.030 1237 V HN 0.525 nan 8.190 nan 0.000 0.457 1238 V N 4.141 123.863 119.914 -0.320 0.000 3.477 1238 V HA 0.562 4.682 4.120 -0.000 0.000 0.297 1238 V C 0.902 176.879 176.094 -0.194 0.000 1.433 1238 V CA 0.929 63.004 62.300 -0.375 0.000 1.052 1238 V CB 0.509 32.248 31.823 -0.141 0.000 0.895 1238 V HN 0.783 nan 8.190 nan 0.000 0.438 1239 G N -0.824 107.924 108.800 -0.086 0.000 2.714 1239 G HA2 0.616 4.576 3.960 -0.000 0.000 0.292 1239 G HA3 0.616 4.576 3.960 -0.000 0.000 0.292 1239 G C -1.161 173.879 174.900 0.233 0.000 1.308 1239 G CA -0.456 44.730 45.100 0.142 0.000 0.964 1239 G HN 0.107 nan 8.290 nan 0.000 0.484 1240 S N -0.354 115.457 115.700 0.185 0.000 2.737 1240 S HA 0.264 4.734 4.470 -0.000 0.000 0.269 1240 S C -0.916 173.680 174.600 -0.008 0.000 1.150 1240 S CA -0.549 57.714 58.200 0.105 0.000 1.077 1240 S CB 1.586 64.848 63.200 0.104 0.000 1.075 1240 S HN 0.642 nan 8.310 nan 0.000 0.476 1241 E N 2.949 123.133 120.200 -0.028 0.000 2.166 1241 E HA 0.330 4.680 4.350 -0.000 0.000 0.279 1241 E C 0.325 176.833 176.600 -0.153 0.000 1.095 1241 E CA -0.028 56.321 56.400 -0.086 0.000 0.888 1241 E CB 0.398 30.074 29.700 -0.040 0.000 1.041 1241 E HN 0.593 nan 8.360 nan 0.000 0.414 1242 T N 2.018 116.382 114.554 -0.317 0.000 2.952 1242 T HA 0.555 4.905 4.350 -0.000 0.000 0.286 1242 T C -0.218 174.278 174.700 -0.340 0.000 1.024 1242 T CA -1.137 60.743 62.100 -0.366 0.000 1.029 1242 T CB 1.466 70.007 68.868 -0.544 0.000 1.094 1242 T HN 0.423 nan 8.240 nan 0.000 0.515 1243 R N 0.996 121.378 120.500 -0.196 0.000 2.518 1243 R HA 0.555 4.895 4.340 -0.000 0.000 0.296 1243 R C -2.126 174.164 176.300 -0.017 0.000 1.080 1243 R CA -0.598 55.456 56.100 -0.077 0.000 0.922 1243 R CB 1.606 31.888 30.300 -0.029 0.000 1.184 1243 R HN 0.573 nan 8.270 nan 0.000 0.445 1244 V N 5.248 125.194 119.914 0.054 0.000 2.370 1244 V HA 0.358 4.478 4.120 -0.000 0.000 0.279 1244 V C -0.110 176.005 176.094 0.035 0.000 1.029 1244 V CA -0.573 61.764 62.300 0.061 0.000 0.870 1244 V CB 1.620 33.526 31.823 0.139 0.000 0.984 1244 V HN 0.579 nan 8.190 nan 0.000 0.451 1245 K N 3.685 124.083 120.400 -0.003 0.000 2.185 1245 K HA 0.514 4.834 4.320 -0.000 0.000 0.269 1245 K C -0.967 175.582 176.600 -0.085 0.000 0.987 1245 K CA -0.523 55.758 56.287 -0.010 0.000 0.865 1245 K CB 2.084 34.599 32.500 0.025 0.000 1.090 1245 K HN 0.408 nan 8.250 nan 0.000 0.450 1246 V N 5.048 124.911 119.914 -0.085 0.000 2.334 1246 V HA 0.047 4.167 4.120 -0.000 0.000 0.267 1246 V C 1.190 177.149 176.094 -0.225 0.000 1.040 1246 V CA -0.246 61.960 62.300 -0.157 0.000 0.866 1246 V CB 0.902 32.650 31.823 -0.125 0.000 1.019 1246 V HN 0.641 nan 8.190 nan 0.000 0.468 1247 V N 2.067 121.808 119.914 -0.289 0.000 3.085 1247 V HA 0.317 4.437 4.120 -0.000 0.000 0.245 1247 V C 0.877 176.644 176.094 -0.546 0.000 1.114 1247 V CA 0.302 62.386 62.300 -0.361 0.000 1.108 1247 V CB -0.186 31.561 31.823 -0.125 0.000 0.798 1247 V HN 0.608 nan 8.190 nan 0.000 0.471 1248 K N 2.204 122.288 120.400 -0.527 0.000 2.316 1248 K HA 0.428 4.748 4.320 -0.000 0.000 0.267 1248 K C -1.108 175.297 176.600 -0.325 0.000 1.025 1248 K CA -0.311 55.636 56.287 -0.566 0.000 0.896 1248 K CB 0.602 32.628 32.500 -0.790 0.000 1.124 1248 K HN 0.357 nan 8.250 nan 0.000 0.451 1249 N N 3.675 122.228 118.700 -0.246 0.000 2.549 1249 N HA 0.170 4.910 4.740 -0.000 0.000 0.281 1249 N C -1.007 174.459 175.510 -0.073 0.000 1.084 1249 N CA -0.430 52.530 53.050 -0.151 0.000 0.862 1249 N CB 1.136 39.534 38.487 -0.150 0.000 1.333 1249 N HN 0.472 nan 8.380 nan 0.000 0.523 1250 K N 3.016 123.386 120.400 -0.051 0.000 2.570 1250 K HA 0.251 4.571 4.320 -0.000 0.000 0.210 1250 K C 0.384 176.974 176.600 -0.017 0.000 1.048 1250 K CA -0.040 56.238 56.287 -0.015 0.000 1.167 1250 K CB 0.586 33.085 32.500 -0.002 0.000 0.892 1250 K HN 0.429 nan 8.250 nan 0.000 0.480 1251 I N -0.049 120.504 120.570 -0.029 0.000 3.194 1251 I HA 0.071 4.241 4.170 -0.000 0.000 0.271 1251 I C 0.887 176.996 176.117 -0.014 0.000 1.150 1251 I CA 0.437 61.723 61.300 -0.024 0.000 1.440 1251 I CB 0.514 38.493 38.000 -0.035 0.000 1.276 1251 I HN 0.098 nan 8.210 nan 0.000 0.457 1252 A N -0.418 122.392 122.820 -0.016 0.000 5.139 1252 A HA 0.810 5.130 4.320 -0.000 0.000 0.164 1252 A C -0.726 176.862 177.584 0.006 0.000 0.803 1252 A CA 0.055 52.091 52.037 -0.002 0.000 1.038 1252 A CB -0.666 18.330 19.000 -0.006 0.000 2.123 1252 A HN 0.012 nan 8.150 nan 0.000 0.998 1253 A N 1.590 124.419 122.820 0.014 0.000 2.505 1253 A HA 0.543 4.863 4.320 -0.000 0.000 0.271 1253 A C -2.474 175.121 177.584 0.018 0.000 1.112 1253 A CA -0.505 51.555 52.037 0.038 0.000 0.781 1253 A CB -1.025 18.000 19.000 0.042 0.000 1.059 1253 A HN 0.297 nan 8.150 nan 0.000 0.508 1254 P HA 0.530 nan 4.420 nan 0.000 0.278 1254 P C 0.010 177.326 177.300 0.026 0.000 1.258 1254 P CA -0.422 62.593 63.100 -0.142 0.000 0.811 1254 P CB 0.095 31.626 31.700 -0.282 0.000 1.063 1255 F N -3.141 116.824 119.950 0.025 0.000 2.794 1255 F HA -0.238 4.289 4.527 -0.000 0.000 0.335 1255 F C 0.671 176.478 175.800 0.011 0.000 0.653 1255 F CA 0.748 58.763 58.000 0.024 0.000 1.266 1255 F CB -1.994 37.023 39.000 0.029 0.000 1.666 1255 F HN 0.237 nan 8.300 nan 0.000 0.314 1256 K N 1.635 122.103 120.400 0.114 0.000 2.202 1256 K HA 0.428 4.748 4.320 -0.000 0.000 0.264 1256 K C 0.476 177.106 176.600 0.051 0.000 1.010 1256 K CA -0.132 56.200 56.287 0.074 0.000 0.940 1256 K CB 0.954 33.478 32.500 0.039 0.000 0.983 1256 K HN 0.477 nan 8.250 nan 0.000 0.475 1257 Q N -0.224 119.607 119.800 0.052 0.000 2.528 1257 Q HA 0.757 5.097 4.340 -0.000 0.000 0.289 1257 Q C -1.739 174.294 176.000 0.056 0.000 1.091 1257 Q CA -1.301 54.533 55.803 0.051 0.000 0.797 1257 Q CB 2.103 30.878 28.738 0.062 0.000 1.466 1257 Q HN 0.496 nan 8.270 nan 0.000 0.436 1258 A N 1.312 124.181 122.820 0.081 0.000 2.497 1258 A HA 0.430 4.750 4.320 -0.000 0.000 0.280 1258 A C -1.385 176.325 177.584 0.210 0.000 1.065 1258 A CA -0.670 51.441 52.037 0.123 0.000 0.781 1258 A CB 1.232 20.293 19.000 0.100 0.000 1.289 1258 A HN 0.692 nan 8.150 nan 0.000 0.415 1259 E N 1.256 121.560 120.200 0.173 0.000 2.231 1259 E HA 0.735 5.085 4.350 -0.000 0.000 0.277 1259 E C -0.622 176.145 176.600 0.279 0.000 0.999 1259 E CA -0.267 56.218 56.400 0.141 0.000 0.827 1259 E CB 1.538 31.276 29.700 0.064 0.000 1.101 1259 E HN 0.712 nan 8.360 nan 0.000 0.393 1260 F N -1.319 118.634 119.950 0.005 0.000 3.122 1260 F HA 0.355 4.882 4.527 -0.000 0.000 0.325 1260 F C -1.583 174.229 175.800 0.020 0.000 1.162 1260 F CA -1.226 56.778 58.000 0.006 0.000 0.876 1260 F CB 1.065 40.054 39.000 -0.018 0.000 1.429 1260 F HN 0.166 nan 8.300 nan 0.000 0.484 1261 Q N 1.308 121.224 119.800 0.193 0.000 2.309 1261 Q HA 0.707 5.047 4.340 -0.000 0.000 0.264 1261 Q C -1.345 174.751 176.000 0.160 0.000 1.008 1261 Q CA -0.928 54.920 55.803 0.075 0.000 0.853 1261 Q CB 3.104 31.914 28.738 0.119 0.000 1.314 1261 Q HN 0.566 nan 8.270 nan 0.000 0.448 1262 I N 2.801 123.412 120.570 0.067 0.000 2.389 1262 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 1262 I C -1.039 175.183 176.117 0.174 0.000 0.999 1262 I CA -0.833 60.548 61.300 0.134 0.000 1.129 1262 I CB 1.217 39.261 38.000 0.074 0.000 1.288 1262 I HN 0.287 nan 8.210 nan 0.000 0.444 1263 L N 6.955 128.302 121.223 0.206 0.000 2.272 1263 L HA 0.372 4.712 4.340 -0.000 0.000 0.289 1263 L C -0.468 176.595 176.870 0.322 0.000 1.032 1263 L CA -0.209 54.788 54.840 0.261 0.000 0.810 1263 L CB 0.597 42.773 42.059 0.195 0.000 1.205 1263 L HN 0.315 nan 8.230 nan 0.000 0.422 1264 Y N 3.341 123.708 120.300 0.112 0.000 2.944 1264 Y HA 0.066 4.616 4.550 -0.000 0.000 0.340 1264 Y C 1.649 177.654 175.900 0.174 0.000 1.275 1264 Y CA 0.969 59.143 58.100 0.122 0.000 1.590 1264 Y CB 0.262 38.758 38.460 0.059 0.000 1.218 1264 Y HN 0.885 nan 8.280 nan 0.000 0.576 1265 G N 2.687 111.740 108.800 0.421 0.000 2.203 1265 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.263 1265 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.263 1265 G C 0.486 175.503 174.900 0.195 0.000 1.012 1265 G CA 0.826 46.134 45.100 0.347 0.000 0.749 1265 G HN 0.775 nan 8.290 nan 0.000 0.512 1266 E N -2.258 118.045 120.200 0.173 0.000 2.583 1266 E HA 0.436 4.786 4.350 -0.000 0.000 0.204 1266 E C 1.379 177.989 176.600 0.017 0.000 0.860 1266 E CA 0.939 57.386 56.400 0.077 0.000 1.473 1266 E CB 0.583 30.348 29.700 0.109 0.000 1.469 1266 E HN 1.544 nan 8.360 nan 0.000 0.788 1267 G N 0.980 109.820 108.800 0.067 0.000 2.341 1267 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.196 1267 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.196 1267 G C -0.749 174.218 174.900 0.111 0.000 1.231 1267 G CA -0.375 44.743 45.100 0.031 0.000 1.155 1267 G HN 0.098 nan 8.290 nan 0.000 0.529 1268 I N 1.288 121.911 120.570 0.089 0.000 2.581 1268 I HA 0.204 4.374 4.170 -0.000 0.000 0.288 1268 I C 0.349 176.537 176.117 0.118 0.000 1.047 1268 I CA -0.555 60.826 61.300 0.135 0.000 1.374 1268 I CB 1.192 39.211 38.000 0.032 0.000 1.423 1268 I HN 0.393 nan 8.210 nan 0.000 0.549 1269 N N 4.770 123.584 118.700 0.190 0.000 3.050 1269 N HA 0.002 4.742 4.740 -0.000 0.000 0.289 1269 N C 0.734 176.309 175.510 0.107 0.000 1.209 1269 N CA 0.099 53.250 53.050 0.169 0.000 1.154 1269 N CB -0.309 38.298 38.487 0.200 0.000 1.444 1269 N HN 0.453 nan 8.380 nan 0.000 0.529 1270 F N 1.620 121.465 119.950 -0.175 0.000 2.043 1270 F HA -0.301 4.226 4.527 -0.000 0.000 0.297 1270 F C 1.114 176.737 175.800 -0.296 0.000 1.118 1270 F CA 1.885 59.670 58.000 -0.359 0.000 1.202 1270 F CB -0.362 38.232 39.000 -0.677 0.000 0.965 1270 F HN 0.410 nan 8.300 nan 0.000 0.482 1271 Y N -0.075 120.400 120.300 0.292 0.000 2.314 1271 Y HA 0.052 4.602 4.550 -0.000 0.000 0.293 1271 Y C 2.632 178.593 175.900 0.102 0.000 1.129 1271 Y CA 0.651 58.840 58.100 0.148 0.000 1.201 1271 Y CB -1.438 37.048 38.460 0.043 0.000 0.999 1271 Y HN 0.101 nan 8.280 nan 0.000 0.541 1272 G N 1.035 109.975 108.800 0.233 0.000 2.739 1272 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.216 1272 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.216 1272 G C 1.471 176.440 174.900 0.114 0.000 1.298 1272 G CA 1.514 46.706 45.100 0.154 0.000 0.804 1272 G HN 0.578 nan 8.290 nan 0.000 0.623 1273 E N 0.193 120.456 120.200 0.104 0.000 2.219 1273 E HA -0.150 4.200 4.350 -0.000 0.000 0.198 1273 E C 2.372 179.005 176.600 0.054 0.000 0.998 1273 E CA 1.097 57.537 56.400 0.067 0.000 0.818 1273 E CB -0.343 29.366 29.700 0.014 0.000 0.741 1273 E HN 0.340 nan 8.360 nan 0.000 0.477 1274 L N 1.489 122.769 121.223 0.094 0.000 2.017 1274 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 1274 L C 2.353 179.268 176.870 0.076 0.000 1.073 1274 L CA 1.359 56.269 54.840 0.116 0.000 0.745 1274 L CB -0.620 41.576 42.059 0.229 0.000 0.894 1274 L HN 0.084 nan 8.230 nan 0.000 0.432 1275 V N 0.138 120.083 119.914 0.051 0.000 2.220 1275 V HA -0.385 3.735 4.120 -0.000 0.000 0.250 1275 V C 2.310 178.383 176.094 -0.034 0.000 1.056 1275 V CA 2.220 64.491 62.300 -0.047 0.000 1.016 1275 V CB -0.919 30.809 31.823 -0.159 0.000 0.639 1275 V HN 0.449 nan 8.190 nan 0.000 0.446 1276 D N -0.438 119.958 120.400 -0.006 0.000 2.280 1276 D HA -0.158 4.482 4.640 -0.000 0.000 0.206 1276 D C 1.789 178.116 176.300 0.045 0.000 0.988 1276 D CA 1.179 55.197 54.000 0.030 0.000 0.886 1276 D CB -0.082 40.748 40.800 0.050 0.000 0.914 1276 D HN 0.273 nan 8.370 nan 0.000 0.473 1277 L N -0.264 120.984 121.223 0.041 0.000 2.168 1277 L HA 0.137 4.477 4.340 -0.000 0.000 0.203 1277 L C 2.500 179.404 176.870 0.057 0.000 1.078 1277 L CA 1.105 55.972 54.840 0.045 0.000 0.780 1277 L CB -1.155 40.925 42.059 0.035 0.000 0.939 1277 L HN -0.017 nan 8.230 nan 0.000 0.451 1278 G N -1.319 107.517 108.800 0.061 0.000 2.807 1278 G HA2 0.027 3.986 3.960 -0.000 0.000 0.207 1278 G HA3 0.027 3.986 3.960 -0.000 0.000 0.207 1278 G C 1.377 176.334 174.900 0.095 0.000 1.151 1278 G CA 0.655 45.804 45.100 0.081 0.000 0.800 1278 G HN 0.223 nan 8.290 nan 0.000 0.523 1279 V N 0.162 120.128 119.914 0.087 0.000 2.283 1279 V HA 0.011 4.131 4.120 -0.000 0.000 0.239 1279 V C 2.599 178.750 176.094 0.094 0.000 1.035 1279 V CA 1.707 64.078 62.300 0.117 0.000 1.018 1279 V CB -0.277 31.624 31.823 0.130 0.000 0.658 1279 V HN 0.290 nan 8.190 nan 0.000 0.459 1280 K N 0.009 120.455 120.400 0.076 0.000 2.155 1280 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 1280 K C 0.422 177.057 176.600 0.057 0.000 1.052 1280 K CA 0.807 57.132 56.287 0.063 0.000 0.948 1280 K CB 0.163 32.695 32.500 0.053 0.000 0.728 1280 K HN 0.363 nan 8.250 nan 0.000 0.448 1281 E N 2.345 122.581 120.200 0.061 0.000 2.136 1281 E HA 0.022 4.372 4.350 -0.000 0.000 0.246 1281 E C -0.850 175.793 176.600 0.071 0.000 1.017 1281 E CA -0.162 56.273 56.400 0.058 0.000 0.883 1281 E CB 0.852 30.584 29.700 0.054 0.000 1.199 1281 E HN 0.106 nan 8.360 nan 0.000 0.447 1282 K N 2.719 123.159 120.400 0.067 0.000 2.210 1282 K HA -0.125 4.195 4.320 -0.000 0.000 0.202 1282 K C 0.652 177.304 176.600 0.087 0.000 0.990 1282 K CA 0.342 56.673 56.287 0.074 0.000 1.322 1282 K CB -0.542 31.991 32.500 0.055 0.000 0.955 1282 K HN 0.385 nan 8.250 nan 0.000 0.258 1283 L N 0.393 121.688 121.223 0.121 0.000 2.425 1283 L HA 0.214 4.554 4.340 -0.000 0.000 0.215 1283 L C 0.751 177.774 176.870 0.254 0.000 1.065 1283 L CA 0.322 55.267 54.840 0.175 0.000 0.842 1283 L CB 0.288 42.468 42.059 0.202 0.000 1.033 1283 L HN 0.326 nan 8.230 nan 0.000 0.474 1284 I N -0.705 119.995 120.570 0.217 0.000 2.406 1284 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 1284 I C -0.519 175.721 176.117 0.205 0.000 0.999 1284 I CA -0.692 60.750 61.300 0.238 0.000 1.124 1284 I CB 1.789 39.900 38.000 0.186 0.000 1.289 1284 I HN -0.166 nan 8.210 nan 0.000 0.441 1285 E N 5.875 126.189 120.200 0.190 0.000 2.130 1285 E HA 0.166 4.516 4.350 -0.000 0.000 0.284 1285 E C -0.594 176.109 176.600 0.173 0.000 1.018 1285 E CA -0.384 56.102 56.400 0.143 0.000 0.817 1285 E CB 0.857 30.604 29.700 0.077 0.000 1.078 1285 E HN 0.318 nan 8.360 nan 0.000 0.396 1286 K N 3.315 123.806 120.400 0.151 0.000 2.292 1286 K HA 0.302 4.622 4.320 -0.000 0.000 0.290 1286 K C -0.698 175.910 176.600 0.014 0.000 1.083 1286 K CA -0.112 56.213 56.287 0.065 0.000 0.918 1286 K CB 0.368 32.921 32.500 0.089 0.000 1.089 1286 K HN 0.536 nan 8.250 nan 0.000 0.473 1287 A N 4.041 126.863 122.820 0.002 0.000 3.258 1287 A HA 0.382 4.702 4.320 -0.000 0.000 0.275 1287 A C 0.956 178.569 177.584 0.049 0.000 1.452 1287 A CA 0.268 52.321 52.037 0.026 0.000 1.120 1287 A CB -0.422 18.590 19.000 0.020 0.000 1.107 1287 A HN 1.066 nan 8.150 nan 0.000 0.651 1288 G N 0.319 109.114 108.800 -0.009 0.000 5.347 1288 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.299 1288 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.299 1288 G C 1.296 176.134 174.900 -0.102 0.000 1.492 1288 G CA 0.607 45.696 45.100 -0.019 0.000 0.991 1288 G HN 1.725 nan 8.290 nan 0.000 0.749 1289 A N -0.799 121.963 122.820 -0.096 0.000 2.382 1289 A HA 0.584 4.904 4.320 -0.000 0.000 0.228 1289 A C 0.441 177.761 177.584 -0.439 0.000 1.217 1289 A CA 0.436 52.315 52.037 -0.264 0.000 0.923 1289 A CB 0.145 19.002 19.000 -0.238 0.000 0.979 1289 A HN 0.554 nan 8.150 nan 0.000 0.515 1290 W N -1.058 120.046 121.300 -0.326 0.000 2.449 1290 W HA 0.588 5.248 4.660 0.000 0.000 0.331 1290 W C -0.683 175.597 176.519 -0.399 0.000 1.119 1290 W CA -0.090 57.090 57.345 -0.274 0.000 1.240 1290 W CB 0.611 29.984 29.460 -0.146 0.000 1.251 1290 W HN 0.182 nan 8.180 nan 0.000 0.576 1291 Y N 2.230 122.657 120.300 0.211 0.000 2.345 1291 Y HA 0.400 4.950 4.550 -0.000 0.000 0.331 1291 Y C 0.156 176.092 175.900 0.061 0.000 0.959 1291 Y CA -0.713 57.447 58.100 0.098 0.000 1.204 1291 Y CB 1.267 39.743 38.460 0.028 0.000 1.135 1291 Y HN 0.148 nan 8.280 nan 0.000 0.477 1292 S N 2.927 118.751 115.700 0.208 0.000 2.501 1292 S HA 0.325 4.795 4.470 -0.000 0.000 0.301 1292 S C -1.597 173.087 174.600 0.139 0.000 1.096 1292 S CA -0.737 57.523 58.200 0.100 0.000 1.063 1292 S CB 1.224 64.449 63.200 0.043 0.000 1.042 1292 S HN 0.531 nan 8.310 nan 0.000 0.494 1293 Y N 2.994 123.251 120.300 -0.071 0.000 2.686 1293 Y HA 0.360 4.910 4.550 -0.000 0.000 0.331 1293 Y C -0.178 175.716 175.900 -0.011 0.000 0.996 1293 Y CA -0.911 57.169 58.100 -0.034 0.000 1.293 1293 Y CB -0.068 38.360 38.460 -0.054 0.000 1.092 1293 Y HN 0.804 nan 8.280 nan 0.000 0.524 1294 K N 4.744 124.957 120.400 -0.313 0.000 4.361 1294 K HA -0.229 4.091 4.320 -0.000 0.000 0.294 1294 K C 1.035 177.546 176.600 -0.147 0.000 0.970 1294 K CA 0.858 56.974 56.287 -0.284 0.000 0.913 1294 K CB -1.305 30.931 32.500 -0.440 0.000 1.583 1294 K HN 1.241 nan 8.250 nan 0.000 0.438 1295 G N 0.704 109.448 108.800 -0.094 0.000 2.855 1295 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.231 1295 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.231 1295 G C 0.009 174.867 174.900 -0.070 0.000 1.242 1295 G CA 0.728 45.783 45.100 -0.076 0.000 0.789 1295 G HN 0.662 nan 8.290 nan 0.000 0.517 1296 E N 2.100 122.268 120.200 -0.054 0.000 2.290 1296 E HA 0.365 4.715 4.350 -0.000 0.000 0.277 1296 E C -0.182 176.386 176.600 -0.053 0.000 1.035 1296 E CA -0.154 56.224 56.400 -0.038 0.000 0.873 1296 E CB 0.332 30.034 29.700 0.003 0.000 1.029 1296 E HN 0.450 nan 8.360 nan 0.000 0.419 1297 K N 4.430 124.792 120.400 -0.064 0.000 2.297 1297 K HA 0.180 4.500 4.320 -0.000 0.000 0.286 1297 K C 0.890 177.415 176.600 -0.125 0.000 1.053 1297 K CA -0.038 56.224 56.287 -0.041 0.000 0.940 1297 K CB 0.850 33.339 32.500 -0.019 0.000 1.019 1297 K HN 0.584 nan 8.250 nan 0.000 0.475 1298 I N -1.447 118.982 120.570 -0.235 0.000 4.032 1298 I HA 0.363 4.533 4.170 -0.000 0.000 0.313 1298 I C 0.554 176.406 176.117 -0.442 0.000 1.272 1298 I CA -0.136 60.720 61.300 -0.739 0.000 1.307 1298 I CB 1.079 38.336 38.000 -1.238 0.000 1.155 1298 I HN 0.504 nan 8.210 nan 0.000 0.431 1299 G N 1.131 109.896 108.800 -0.057 0.000 2.596 1299 G HA2 0.346 4.306 3.960 -0.000 0.000 0.296 1299 G HA3 0.346 4.306 3.960 -0.000 0.000 0.296 1299 G C -2.153 172.758 174.900 0.018 0.000 1.513 1299 G CA -0.567 44.550 45.100 0.027 0.000 0.851 1299 G HN 0.193 nan 8.290 nan 0.000 0.548 1300 Q N 0.500 120.185 119.800 -0.192 0.000 2.333 1300 Q HA 0.566 4.906 4.340 -0.000 0.000 0.265 1300 Q C 0.335 176.202 176.000 -0.221 0.000 0.989 1300 Q CA 0.314 55.828 55.803 -0.482 0.000 0.842 1300 Q CB 1.415 29.603 28.738 -0.918 0.000 1.262 1300 Q HN 2.216 nan 8.270 nan 0.000 0.451 1301 G N 3.152 111.853 108.800 -0.165 0.000 2.854 1301 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.686 1301 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.686 1301 G C 0.198 175.222 174.900 0.207 0.000 1.202 1301 G CA 0.095 45.192 45.100 -0.004 0.000 0.878 1301 G HN 0.841 nan 8.290 nan 0.000 0.583 1302 K N 1.539 122.132 120.400 0.322 0.000 2.189 1302 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 1302 K C 2.881 179.542 176.600 0.102 0.000 1.046 1302 K CA 2.601 59.031 56.287 0.237 0.000 0.928 1302 K CB -0.344 32.252 32.500 0.161 0.000 0.720 1302 K HN 1.287 nan 8.250 nan 0.000 0.458 1303 A N 1.993 124.864 122.820 0.086 0.000 1.863 1303 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 1303 A C 1.793 179.413 177.584 0.060 0.000 1.233 1303 A CA 2.291 54.362 52.037 0.057 0.000 0.655 1303 A CB -0.892 18.128 19.000 0.033 0.000 0.839 1303 A HN 0.529 nan 8.150 nan 0.000 0.454 1304 N N -0.108 118.629 118.700 0.062 0.000 2.354 1304 N HA 0.019 4.759 4.740 -0.000 0.000 0.179 1304 N C 1.916 177.495 175.510 0.115 0.000 1.021 1304 N CA 1.171 54.267 53.050 0.076 0.000 0.887 1304 N CB -0.482 38.034 38.487 0.049 0.000 0.974 1304 N HN 0.529 nan 8.380 nan 0.000 0.437 1305 A N 1.569 124.447 122.820 0.097 0.000 1.841 1305 A HA -0.170 4.151 4.320 -0.000 0.000 0.216 1305 A C 2.356 179.978 177.584 0.064 0.000 1.199 1305 A CA 2.217 54.281 52.037 0.044 0.000 0.621 1305 A CB -1.370 17.513 19.000 -0.196 0.000 0.835 1305 A HN 0.256 nan 8.150 nan 0.000 0.445 1306 T N 0.721 115.290 114.554 0.026 0.000 2.427 1306 T HA -0.284 4.066 4.350 -0.000 0.000 0.244 1306 T C 2.000 176.732 174.700 0.053 0.000 1.325 1306 T CA 2.675 64.815 62.100 0.066 0.000 1.173 1306 T CB -0.921 67.997 68.868 0.083 0.000 0.859 1306 T HN 0.803 nan 8.240 nan 0.000 0.415 1307 A N -0.630 122.221 122.820 0.052 0.000 2.259 1307 A HA -0.009 4.311 4.320 -0.000 0.000 0.212 1307 A C 1.835 179.415 177.584 -0.006 0.000 1.178 1307 A CA 1.059 53.096 52.037 -0.001 0.000 0.734 1307 A CB -1.014 17.999 19.000 0.021 0.000 0.774 1307 A HN 0.740 nan 8.150 nan 0.000 0.481 1308 W N 0.272 121.498 121.300 -0.125 0.000 2.444 1308 W HA -0.043 4.617 4.660 -0.000 0.000 0.308 1308 W C 1.625 178.012 176.519 -0.221 0.000 1.183 1308 W CA 1.546 58.814 57.345 -0.128 0.000 1.340 1308 W CB -0.279 29.137 29.460 -0.073 0.000 1.138 1308 W HN 0.222 nan 8.180 nan 0.000 0.510 1309 L N 1.048 122.204 121.223 -0.111 0.000 2.189 1309 L HA -0.271 4.069 4.340 -0.000 0.000 0.214 1309 L C 2.406 178.767 176.870 -0.849 0.000 1.097 1309 L CA 1.686 56.270 54.840 -0.427 0.000 0.764 1309 L CB -1.083 40.846 42.059 -0.216 0.000 0.900 1309 L HN 0.052 nan 8.230 nan 0.000 0.436 1310 K N 0.097 119.986 120.400 -0.853 0.000 2.152 1310 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 1310 K C 1.277 177.545 176.600 -0.555 0.000 1.048 1310 K CA 1.585 57.354 56.287 -0.863 0.000 0.933 1310 K CB 0.108 32.337 32.500 -0.453 0.000 0.721 1310 K HN 0.302 nan 8.250 nan 0.000 0.447 1311 D N -0.221 119.866 120.400 -0.522 0.000 2.360 1311 D HA 0.010 4.650 4.640 -0.000 0.000 0.210 1311 D C -0.238 175.777 176.300 -0.475 0.000 1.047 1311 D CA 0.435 54.180 54.000 -0.425 0.000 0.854 1311 D CB 0.260 40.845 40.800 -0.358 0.000 0.936 1311 D HN 0.214 nan 8.370 nan 0.000 0.514 1312 N N 1.449 119.769 118.700 -0.634 0.000 2.886 1312 N HA 0.154 4.894 4.740 -0.000 0.000 0.285 1312 N C -2.162 173.103 175.510 -0.409 0.000 1.706 1312 N CA -1.087 51.631 53.050 -0.554 0.000 0.904 1312 N CB 1.958 39.956 38.487 -0.815 0.000 1.224 1312 N HN -0.053 nan 8.380 nan 0.000 0.488 1313 P HA -0.202 nan 4.420 nan 0.000 0.214 1313 P C 1.722 178.932 177.300 -0.150 0.000 1.163 1313 P CA 1.396 64.366 63.100 -0.216 0.000 0.883 1313 P CB 0.287 31.894 31.700 -0.156 0.000 0.788 1314 E N -0.068 120.057 120.200 -0.125 0.000 2.085 1314 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 1314 E C 1.566 178.126 176.600 -0.067 0.000 0.994 1314 E CA 2.115 58.468 56.400 -0.078 0.000 0.801 1314 E CB -2.132 27.534 29.700 -0.056 0.000 0.743 1314 E HN 0.174 nan 8.360 nan 0.000 0.453 1315 T N 1.386 115.879 114.554 -0.101 0.000 2.759 1315 T HA -0.042 4.308 4.350 -0.000 0.000 0.269 1315 T C 1.951 176.591 174.700 -0.100 0.000 1.042 1315 T CA 2.025 64.072 62.100 -0.088 0.000 1.140 1315 T CB -0.360 68.428 68.868 -0.132 0.000 0.864 1315 T HN 0.477 nan 8.240 nan 0.000 0.455 1316 A N 2.117 124.872 122.820 -0.108 0.000 1.826 1316 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 1316 A C 2.164 179.751 177.584 0.004 0.000 1.212 1316 A CA 1.028 53.046 52.037 -0.031 0.000 0.605 1316 A CB -0.423 18.591 19.000 0.023 0.000 0.861 1316 A HN 0.348 nan 8.150 nan 0.000 0.447 1317 K N -0.129 120.256 120.400 -0.025 0.000 2.520 1317 K HA -0.177 4.143 4.320 -0.000 0.000 0.197 1317 K C 1.758 178.367 176.600 0.016 0.000 1.044 1317 K CA 1.252 57.528 56.287 -0.018 0.000 0.938 1317 K CB -0.022 32.442 32.500 -0.060 0.000 0.767 1317 K HN 0.711 nan 8.250 nan 0.000 0.481 1318 E N 1.026 121.236 120.200 0.018 0.000 2.099 1318 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 1318 E C 1.985 178.620 176.600 0.058 0.000 0.962 1318 E CA 0.157 56.581 56.400 0.039 0.000 0.826 1318 E CB 0.143 29.870 29.700 0.045 0.000 0.788 1318 E HN 0.194 nan 8.360 nan 0.000 0.461 1319 I N 1.779 122.383 120.570 0.056 0.000 2.264 1319 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 1319 I C 2.651 178.815 176.117 0.079 0.000 1.111 1319 I CA 1.114 62.459 61.300 0.074 0.000 1.382 1319 I CB -0.336 37.693 38.000 0.048 0.000 1.060 1319 I HN 0.275 nan 8.210 nan 0.000 0.418 1320 E N 1.733 121.987 120.200 0.088 0.000 2.019 1320 E HA -0.373 3.977 4.350 -0.000 0.000 0.208 1320 E C 2.213 178.857 176.600 0.074 0.000 1.030 1320 E CA 2.314 58.780 56.400 0.110 0.000 0.856 1320 E CB -0.182 29.612 29.700 0.156 0.000 0.781 1320 E HN 0.318 nan 8.360 nan 0.000 0.471 1321 K N 0.355 120.793 120.400 0.063 0.000 2.107 1321 K HA -0.238 4.082 4.320 -0.000 0.000 0.211 1321 K C 2.245 178.872 176.600 0.044 0.000 1.049 1321 K CA 1.945 58.260 56.287 0.046 0.000 0.927 1321 K CB -0.049 32.475 32.500 0.040 0.000 0.714 1321 K HN -0.025 nan 8.250 nan 0.000 0.452 1322 K N 0.309 120.742 120.400 0.055 0.000 2.152 1322 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 1322 K C 1.973 178.603 176.600 0.049 0.000 1.048 1322 K CA 1.310 57.631 56.287 0.057 0.000 0.933 1322 K CB -0.040 32.506 32.500 0.077 0.000 0.721 1322 K HN 0.140 nan 8.250 nan 0.000 0.447 1323 V N 0.389 120.332 119.914 0.049 0.000 2.788 1323 V HA -0.055 4.065 4.120 -0.000 0.000 0.251 1323 V C 2.182 178.290 176.094 0.023 0.000 1.068 1323 V CA 0.939 63.262 62.300 0.038 0.000 1.090 1323 V CB -0.384 31.462 31.823 0.038 0.000 0.710 1323 V HN 0.212 nan 8.190 nan 0.000 0.467 1324 R N 0.156 120.669 120.500 0.022 0.000 2.189 1324 R HA -0.100 4.240 4.340 -0.000 0.000 0.223 1324 R C 2.135 178.442 176.300 0.012 0.000 1.092 1324 R CA 1.155 57.261 56.100 0.010 0.000 0.989 1324 R CB -0.058 30.248 30.300 0.010 0.000 0.876 1324 R HN 0.621 nan 8.270 nan 0.000 0.457 1325 E N 0.130 120.342 120.200 0.019 0.000 2.230 1325 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 1325 E C 1.502 178.112 176.600 0.018 0.000 0.987 1325 E CA 0.576 56.987 56.400 0.018 0.000 0.841 1325 E CB 0.246 29.959 29.700 0.023 0.000 0.783 1325 E HN 0.227 nan 8.360 nan 0.000 0.481 1326 L N 0.161 121.397 121.223 0.021 0.000 2.567 1326 L HA 0.116 4.456 4.340 -0.000 0.000 0.225 1326 L C 1.250 178.130 176.870 0.017 0.000 1.119 1326 L CA 0.285 55.139 54.840 0.022 0.000 0.871 1326 L CB 0.565 42.642 42.059 0.029 0.000 1.036 1326 L HN 0.063 nan 8.230 nan 0.000 0.459 1327 L N -0.679 120.551 121.223 0.012 0.000 3.429 1327 L HA 0.298 4.638 4.340 -0.000 0.000 0.311 1327 L C -1.009 175.861 176.870 0.000 0.000 1.274 1327 L CA -0.023 54.821 54.840 0.007 0.000 1.037 1327 L CB 0.926 42.988 42.059 0.006 0.000 1.433 1327 L HN 0.041 nan 8.230 nan 0.000 0.614 2007 Q N 0.561 120.364 119.800 0.003 0.000 2.444 2007 Q HA 0.065 4.405 4.340 -0.000 0.000 0.206 2007 Q C 0.810 176.814 176.000 0.006 0.000 0.948 2007 Q CA 0.520 56.326 55.803 0.005 0.000 0.946 2007 Q CB 0.266 29.007 28.738 0.005 0.000 1.027 2007 Q HN 0.305 nan 8.270 nan 0.000 0.513 2008 K N 0.766 121.169 120.400 0.006 0.000 1.984 2008 K HA -0.098 4.222 4.320 -0.000 0.000 0.209 2008 K C 1.914 178.518 176.600 0.007 0.000 1.046 2008 K CA 1.333 57.624 56.287 0.006 0.000 0.934 2008 K CB -0.037 32.465 32.500 0.004 0.000 0.717 2008 K HN 0.155 nan 8.250 nan 0.000 0.438 2009 A N 0.417 123.241 122.820 0.007 0.000 2.016 2009 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 2009 A C 1.891 179.482 177.584 0.012 0.000 1.162 2009 A CA 0.717 52.760 52.037 0.009 0.000 0.662 2009 A CB -0.248 18.756 19.000 0.007 0.000 0.812 2009 A HN 0.286 nan 8.150 nan 0.000 0.450 2010 L N -0.443 120.786 121.223 0.011 0.000 2.022 2010 L HA 0.163 4.503 4.340 -0.000 0.000 0.204 2010 L C 2.662 179.542 176.870 0.017 0.000 1.076 2010 L CA 1.868 56.717 54.840 0.014 0.000 0.749 2010 L CB -0.690 41.377 42.059 0.012 0.000 0.903 2010 L HN 0.267 nan 8.230 nan 0.000 0.439 2011 A N -0.654 122.176 122.820 0.015 0.000 2.139 2011 A HA -0.144 4.176 4.320 -0.000 0.000 0.221 2011 A C 2.223 179.817 177.584 0.018 0.000 1.159 2011 A CA 1.895 53.942 52.037 0.017 0.000 0.662 2011 A CB -0.952 18.056 19.000 0.014 0.000 0.796 2011 A HN 0.603 nan 8.150 nan 0.000 0.463 2012 A N -0.818 122.012 122.820 0.016 0.000 1.901 2012 A HA 0.486 4.806 4.320 -0.000 0.000 0.210 2012 A C 2.287 179.883 177.584 0.020 0.000 1.208 2012 A CA 1.114 53.160 52.037 0.016 0.000 0.644 2012 A CB -0.765 18.242 19.000 0.013 0.000 0.863 2012 A HN 1.011 nan 8.150 nan 0.000 0.454 2013 A N -0.470 122.363 122.820 0.022 0.000 2.209 2013 A HA 0.244 4.564 4.320 -0.000 0.000 0.212 2013 A C 1.924 179.531 177.584 0.038 0.000 1.158 2013 A CA 0.608 52.662 52.037 0.028 0.000 0.742 2013 A CB -0.478 18.538 19.000 0.027 0.000 0.790 2013 A HN 0.464 nan 8.150 nan 0.000 0.472 2014 L N -1.015 120.230 121.223 0.036 0.000 1.971 2014 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 2014 L C 2.734 179.633 176.870 0.049 0.000 1.083 2014 L CA 1.183 56.050 54.840 0.044 0.000 0.753 2014 L CB -0.951 41.130 42.059 0.038 0.000 0.893 2014 L HN 0.445 nan 8.230 nan 0.000 0.436 2015 G N -1.114 107.710 108.800 0.039 0.000 2.564 2015 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 2015 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 2015 G C 1.403 176.323 174.900 0.034 0.000 1.120 2015 G CA 0.189 45.311 45.100 0.036 0.000 0.752 2015 G HN 0.363 nan 8.290 nan 0.000 0.558 2016 Q N -0.457 119.365 119.800 0.037 0.000 2.297 2016 Q HA 0.009 4.349 4.340 -0.000 0.000 0.204 2016 Q C 2.262 178.289 176.000 0.044 0.000 0.962 2016 Q CA 0.560 56.381 55.803 0.030 0.000 0.879 2016 Q CB 0.073 28.830 28.738 0.031 0.000 0.947 2016 Q HN 0.527 nan 8.270 nan 0.000 0.462 2017 I N -0.869 119.752 120.570 0.086 0.000 3.081 2017 I HA -0.016 4.154 4.170 -0.000 0.000 0.274 2017 I C 1.795 178.004 176.117 0.153 0.000 1.178 2017 I CA 0.506 61.904 61.300 0.164 0.000 1.460 2017 I CB -0.884 37.237 38.000 0.202 0.000 1.137 2017 I HN 0.105 nan 8.210 nan 0.000 0.443 2018 E N 1.514 121.774 120.200 0.101 0.000 2.150 2018 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 2018 E C 2.074 178.706 176.600 0.054 0.000 0.985 2018 E CA 0.918 57.369 56.400 0.084 0.000 0.814 2018 E CB 0.126 29.864 29.700 0.064 0.000 0.752 2018 E HN 0.365 nan 8.360 nan 0.000 0.466 2019 K N 0.652 121.068 120.400 0.026 0.000 2.062 2019 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 2019 K C 2.142 178.714 176.600 -0.045 0.000 1.051 2019 K CA 1.119 57.403 56.287 -0.006 0.000 0.941 2019 K CB 0.131 32.623 32.500 -0.015 0.000 0.719 2019 K HN 0.026 nan 8.250 nan 0.000 0.440 2020 Q N -1.172 118.574 119.800 -0.089 0.000 2.297 2020 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 2020 Q C -0.121 175.656 176.000 -0.371 0.000 0.931 2020 Q CA 0.591 56.226 55.803 -0.280 0.000 0.885 2020 Q CB 0.509 28.997 28.738 -0.417 0.000 0.991 2020 Q HN 0.154 nan 8.270 nan 0.000 0.498 2021 F N 0.417 120.380 119.950 0.023 0.000 2.893 2021 F HA 0.399 4.926 4.527 -0.000 0.000 0.340 2021 F C 0.187 176.007 175.800 0.033 0.000 1.300 2021 F CA 0.058 58.074 58.000 0.027 0.000 1.227 2021 F CB 1.119 40.135 39.000 0.027 0.000 1.044 2021 F HN 0.065 nan 8.300 nan 0.000 0.512 2022 G N 1.376 110.278 108.800 0.171 0.000 2.977 2022 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.686 2022 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.686 2022 G C -0.464 174.502 174.900 0.110 0.000 1.088 2022 G CA -1.129 44.047 45.100 0.127 0.000 0.845 2022 G HN 0.255 nan 8.290 nan 0.000 0.565 2023 K N 1.172 121.619 120.400 0.078 0.000 2.419 2023 K HA 0.489 4.809 4.320 -0.000 0.000 0.282 2023 K C 1.215 177.858 176.600 0.071 0.000 1.056 2023 K CA 1.251 57.577 56.287 0.065 0.000 1.035 2023 K CB 0.676 33.204 32.500 0.046 0.000 0.921 2023 K HN 2.227 nan 8.250 nan 0.000 0.472 2024 G N 2.104 110.949 108.800 0.075 0.000 2.401 2024 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.283 2024 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.283 2024 G C 0.151 175.104 174.900 0.088 0.000 1.117 2024 G CA -0.062 45.083 45.100 0.075 0.000 1.051 2024 G HN 0.474 nan 8.290 nan 0.000 0.510 2025 S N -0.287 115.473 115.700 0.100 0.000 2.552 2025 S HA 0.633 5.103 4.470 -0.000 0.000 0.246 2025 S C 0.291 174.945 174.600 0.091 0.000 1.019 2025 S CA 0.417 58.676 58.200 0.099 0.000 1.045 2025 S CB -0.225 63.038 63.200 0.105 0.000 0.784 2025 S HN 1.141 nan 8.310 nan 0.000 0.453 2026 I N 1.212 121.839 120.570 0.094 0.000 2.614 2026 I HA 0.329 4.499 4.170 -0.000 0.000 0.300 2026 I C -2.170 174.001 176.117 0.090 0.000 1.825 2026 I CA -0.669 60.688 61.300 0.095 0.000 0.951 2026 I CB 1.461 39.509 38.000 0.081 0.000 1.487 2026 I HN 0.262 nan 8.210 nan 0.000 0.581 2027 M N 4.032 123.689 119.600 0.095 0.000 2.853 2027 M HA 0.477 4.957 4.480 -0.000 0.000 0.273 2027 M C -1.691 174.654 176.300 0.075 0.000 1.128 2027 M CA -1.025 54.323 55.300 0.079 0.000 0.814 2027 M CB 1.763 34.409 32.600 0.077 0.000 1.667 2027 M HN 0.544 nan 8.290 nan 0.000 0.519 2028 R N 0.784 121.317 120.500 0.055 0.000 2.537 2028 R HA 0.310 4.650 4.340 -0.000 0.000 0.280 2028 R C 0.749 177.079 176.300 0.049 0.000 1.058 2028 R CA -0.075 56.049 56.100 0.041 0.000 1.057 2028 R CB 0.674 30.990 30.300 0.027 0.000 0.973 2028 R HN 0.639 nan 8.270 nan 0.000 0.438 2029 L N 1.655 122.901 121.223 0.039 0.000 2.291 2029 L HA -0.023 4.317 4.340 -0.000 0.000 0.214 2029 L C 1.941 178.839 176.870 0.047 0.000 1.120 2029 L CA 1.102 55.975 54.840 0.056 0.000 0.799 2029 L CB -0.027 42.045 42.059 0.023 0.000 0.925 2029 L HN 0.852 nan 8.230 nan 0.000 0.446 2030 G N -0.865 107.951 108.800 0.027 0.000 3.181 2030 G HA2 0.003 3.963 3.960 -0.000 0.000 0.219 2030 G HA3 0.003 3.963 3.960 -0.000 0.000 0.219 2030 G C 0.349 175.264 174.900 0.025 0.000 1.182 2030 G CA -0.304 44.809 45.100 0.022 0.000 0.791 2030 G HN 0.231 nan 8.290 nan 0.000 0.537 2031 E N 0.129 120.349 120.200 0.032 0.000 2.313 2031 E HA 0.128 4.478 4.350 -0.000 0.000 0.276 2031 E C 0.008 176.624 176.600 0.028 0.000 1.031 2031 E CA -0.262 56.156 56.400 0.030 0.000 0.857 2031 E CB 1.106 30.827 29.700 0.035 0.000 1.040 2031 E HN 0.078 nan 8.360 nan 0.000 0.408 2032 D N 1.317 121.730 120.400 0.022 0.000 2.277 2032 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 2032 D C 0.368 176.679 176.300 0.019 0.000 0.962 2032 D CA 0.513 54.524 54.000 0.018 0.000 0.865 2032 D CB 0.210 41.019 40.800 0.015 0.000 0.939 2032 D HN 0.089 nan 8.370 nan 0.000 0.510 2033 R N 1.436 121.949 120.500 0.022 0.000 2.446 2033 R HA 0.082 4.422 4.340 -0.000 0.000 0.314 2033 R C -0.570 175.744 176.300 0.023 0.000 1.003 2033 R CA 0.181 56.294 56.100 0.022 0.000 1.018 2033 R CB 0.069 30.384 30.300 0.025 0.000 0.945 2033 R HN 0.087 nan 8.270 nan 0.000 0.419 2034 S N 4.756 120.466 115.700 0.018 0.000 2.449 2034 S HA 0.341 4.811 4.470 -0.000 0.000 0.310 2034 S C 0.331 174.941 174.600 0.016 0.000 1.096 2034 S CA -1.032 57.178 58.200 0.016 0.000 1.095 2034 S CB 1.412 64.618 63.200 0.009 0.000 1.007 2034 S HN 0.516 nan 8.310 nan 0.000 0.474 2035 M N 2.643 122.254 119.600 0.019 0.000 2.327 2035 M HA 0.087 4.567 4.480 -0.000 0.000 0.353 2035 M C -0.357 175.951 176.300 0.012 0.000 1.539 2035 M CA 0.145 55.455 55.300 0.018 0.000 1.039 2035 M CB -0.441 32.172 32.600 0.022 0.000 1.967 2035 M HN 0.611 nan 8.290 nan 0.000 0.459 2036 D N 3.993 124.399 120.400 0.011 0.000 2.455 2036 D HA 0.314 4.954 4.640 -0.000 0.000 0.234 2036 D C -0.941 175.362 176.300 0.006 0.000 1.224 2036 D CA 0.184 54.188 54.000 0.007 0.000 0.999 2036 D CB 0.277 41.081 40.800 0.007 0.000 1.072 2036 D HN 0.234 nan 8.370 nan 0.000 0.514 2037 V N 2.020 121.936 119.914 0.004 0.000 2.815 2037 V HA 0.358 4.478 4.120 -0.000 0.000 0.314 2037 V C 0.553 176.646 176.094 -0.002 0.000 1.064 2037 V CA -1.076 61.226 62.300 0.002 0.000 0.952 2037 V CB 2.150 33.975 31.823 0.003 0.000 1.020 2037 V HN 0.262 nan 8.190 nan 0.000 0.439 2038 E N 1.217 121.415 120.200 -0.003 0.000 2.373 2038 E HA 0.490 4.840 4.350 -0.000 0.000 0.263 2038 E C -0.314 176.280 176.600 -0.009 0.000 1.073 2038 E CA -0.097 56.300 56.400 -0.005 0.000 0.894 2038 E CB 1.047 30.745 29.700 -0.004 0.000 1.008 2038 E HN 0.903 nan 8.360 nan 0.000 0.420 2039 T N -0.184 114.363 114.554 -0.011 0.000 2.886 2039 T HA 0.550 4.900 4.350 -0.000 0.000 0.292 2039 T C -0.478 174.212 174.700 -0.017 0.000 1.012 2039 T CA -0.914 61.176 62.100 -0.017 0.000 0.982 2039 T CB 0.770 69.626 68.868 -0.020 0.000 1.018 2039 T HN 0.135 nan 8.240 nan 0.000 0.451 2040 I N 2.397 122.954 120.570 -0.021 0.000 2.354 2040 I HA 0.352 4.522 4.170 -0.000 0.000 0.292 2040 I C 0.905 177.005 176.117 -0.029 0.000 0.989 2040 I CA -0.604 60.684 61.300 -0.020 0.000 1.188 2040 I CB 1.521 39.511 38.000 -0.016 0.000 1.342 2040 I HN 0.857 nan 8.210 nan 0.000 0.457 2041 S N 3.624 119.307 115.700 -0.029 0.000 2.546 2041 S HA 0.013 4.483 4.470 -0.000 0.000 0.290 2041 S C 1.613 176.182 174.600 -0.052 0.000 1.290 2041 S CA 0.150 58.322 58.200 -0.046 0.000 1.069 2041 S CB 0.383 63.561 63.200 -0.036 0.000 0.846 2041 S HN 0.810 nan 8.310 nan 0.000 0.495 2042 T N 2.669 117.174 114.554 -0.082 0.000 2.951 2042 T HA 0.225 4.575 4.350 -0.000 0.000 0.268 2042 T C 1.546 176.201 174.700 -0.076 0.000 1.073 2042 T CA 1.156 63.207 62.100 -0.081 0.000 1.134 2042 T CB -0.466 68.328 68.868 -0.123 0.000 0.884 2042 T HN 1.401 nan 8.240 nan 0.000 0.479 2043 G N 0.441 109.178 108.800 -0.105 0.000 2.436 2043 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.204 2043 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.204 2043 G C 0.376 175.145 174.900 -0.217 0.000 1.026 2043 G CA 0.174 45.224 45.100 -0.083 0.000 0.658 2043 G HN 0.983 nan 8.290 nan 0.000 0.499 2044 S N 2.083 117.589 115.700 -0.323 0.000 2.404 2044 S HA 0.586 5.056 4.470 -0.000 0.000 0.309 2044 S C 1.858 176.192 174.600 -0.443 0.000 1.076 2044 S CA -0.433 57.462 58.200 -0.510 0.000 1.095 2044 S CB 0.238 62.819 63.200 -1.032 0.000 0.972 2044 S HN 0.348 nan 8.310 nan 0.000 0.484 2045 L N 4.406 125.357 121.223 -0.453 0.000 2.034 2045 L HA -0.160 4.180 4.340 -0.000 0.000 0.217 2045 L C 2.777 179.495 176.870 -0.253 0.000 1.077 2045 L CA 2.580 57.208 54.840 -0.354 0.000 0.769 2045 L CB -1.676 40.151 42.059 -0.388 0.000 0.890 2045 L HN 0.890 nan 8.230 nan 0.000 0.435 2046 S N -0.924 114.625 115.700 -0.252 0.000 2.423 2046 S HA -0.183 4.287 4.470 -0.000 0.000 0.231 2046 S C 1.988 176.480 174.600 -0.181 0.000 1.014 2046 S CA 0.822 58.920 58.200 -0.169 0.000 0.965 2046 S CB -0.572 62.566 63.200 -0.103 0.000 0.785 2046 S HN 0.428 nan 8.310 nan 0.000 0.495 2047 L N 1.565 122.615 121.223 -0.289 0.000 2.005 2047 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 2047 L C 2.102 178.878 176.870 -0.158 0.000 1.072 2047 L CA 1.966 56.667 54.840 -0.232 0.000 0.744 2047 L CB -0.621 41.247 42.059 -0.319 0.000 0.895 2047 L HN 0.181 nan 8.230 nan 0.000 0.433 2048 D N 0.356 120.653 120.400 -0.171 0.000 2.160 2048 D HA -0.289 4.351 4.640 -0.000 0.000 0.189 2048 D C 2.093 178.339 176.300 -0.090 0.000 1.003 2048 D CA 1.968 55.896 54.000 -0.121 0.000 0.846 2048 D CB -0.449 40.274 40.800 -0.128 0.000 0.949 2048 D HN 0.356 nan 8.370 nan 0.000 0.446 2049 I N 1.132 121.647 120.570 -0.092 0.000 2.087 2049 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 2049 I C 2.416 178.507 176.117 -0.042 0.000 1.054 2049 I CA 1.810 63.074 61.300 -0.060 0.000 1.311 2049 I CB -0.268 37.697 38.000 -0.058 0.000 1.024 2049 I HN -0.025 nan 8.210 nan 0.000 0.402 2050 A N -0.143 122.650 122.820 -0.045 0.000 2.119 2050 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 2050 A C 2.281 179.848 177.584 -0.028 0.000 1.153 2050 A CA 0.855 52.878 52.037 -0.023 0.000 0.692 2050 A CB -0.705 18.287 19.000 -0.013 0.000 0.799 2050 A HN 0.439 nan 8.150 nan 0.000 0.458 2051 L N -1.636 119.558 121.223 -0.048 0.000 2.191 2051 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 2051 L C 2.179 179.030 176.870 -0.031 0.000 1.103 2051 L CA 1.229 56.040 54.840 -0.049 0.000 0.769 2051 L CB -0.217 41.806 42.059 -0.060 0.000 0.908 2051 L HN 0.624 nan 8.230 nan 0.000 0.438 2052 G N -1.508 107.278 108.800 -0.024 0.000 2.420 2052 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.221 2052 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.221 2052 G C 1.002 175.895 174.900 -0.011 0.000 1.117 2052 G CA 0.426 45.520 45.100 -0.009 0.000 0.657 2052 G HN 0.462 nan 8.290 nan 0.000 0.512 2053 A N 0.365 123.174 122.820 -0.018 0.000 2.147 2053 A HA 0.584 4.904 4.320 -0.000 0.000 0.211 2053 A C 2.368 179.938 177.584 -0.023 0.000 1.160 2053 A CA 1.925 53.953 52.037 -0.016 0.000 0.781 2053 A CB -0.312 18.680 19.000 -0.014 0.000 0.842 2053 A HN 2.561 nan 8.150 nan 0.000 0.475 2054 G N -1.865 106.915 108.800 -0.034 0.000 2.203 2054 G HA2 0.398 4.358 3.960 -0.000 0.000 0.231 2054 G HA3 0.398 4.358 3.960 -0.000 0.000 0.231 2054 G C 0.799 175.669 174.900 -0.050 0.000 1.058 2054 G CA 0.278 45.351 45.100 -0.045 0.000 0.781 2054 G HN 2.311 nan 8.290 nan 0.000 0.496 2055 G N -1.623 107.145 108.800 -0.054 0.000 2.339 2055 G HA2 0.412 4.372 3.960 -0.000 0.000 0.381 2055 G HA3 0.412 4.372 3.960 -0.000 0.000 0.381 2055 G C -0.448 174.425 174.900 -0.044 0.000 1.400 2055 G CA -0.519 44.549 45.100 -0.052 0.000 1.002 2055 G HN 1.022 nan 8.290 nan 0.000 0.633 2056 L N 1.990 123.188 121.223 -0.042 0.000 2.380 2056 L HA 0.351 4.691 4.340 -0.000 0.000 0.273 2056 L C -1.469 175.384 176.870 -0.029 0.000 1.138 2056 L CA -1.591 53.227 54.840 -0.038 0.000 0.832 2056 L CB 0.991 43.028 42.059 -0.038 0.000 1.124 2056 L HN 0.352 nan 8.230 nan 0.000 0.454 2057 P HA -0.005 nan 4.420 nan 0.000 0.264 2057 P C -0.608 176.681 177.300 -0.018 0.000 1.193 2057 P CA -0.056 63.034 63.100 -0.018 0.000 0.763 2057 P CB 0.511 32.202 31.700 -0.014 0.000 0.810 2058 M N 2.180 121.772 119.600 -0.014 0.000 2.200 2058 M HA 0.190 4.670 4.480 -0.000 0.000 0.355 2058 M C 1.549 177.840 176.300 -0.014 0.000 1.283 2058 M CA 0.647 55.938 55.300 -0.015 0.000 1.124 2058 M CB -0.388 32.205 32.600 -0.011 0.000 1.625 2058 M HN 0.810 nan 8.290 nan 0.000 0.463 2059 G N 3.126 111.914 108.800 -0.019 0.000 2.179 2059 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.257 2059 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.257 2059 G C 0.124 175.012 174.900 -0.019 0.000 1.010 2059 G CA 0.023 45.111 45.100 -0.020 0.000 0.736 2059 G HN 0.578 nan 8.290 nan 0.000 0.513 2060 R N -0.824 119.666 120.500 -0.017 0.000 2.892 2060 R HA 0.668 5.008 4.340 -0.000 0.000 0.265 2060 R C 0.268 176.563 176.300 -0.009 0.000 1.025 2060 R CA -1.183 54.913 56.100 -0.007 0.000 0.982 2060 R CB 1.100 31.401 30.300 0.001 0.000 1.185 2060 R HN 0.196 nan 8.270 nan 0.000 0.484 2061 I N 1.433 122.015 120.570 0.020 0.000 2.365 2061 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 2061 I C -0.167 175.971 176.117 0.035 0.000 1.004 2061 I CA -0.715 60.608 61.300 0.039 0.000 1.311 2061 I CB 1.511 39.589 38.000 0.131 0.000 1.401 2061 I HN 0.002 nan 8.210 nan 0.000 0.491 2062 V N 6.399 126.322 119.914 0.013 0.000 2.487 2062 V HA 0.272 4.392 4.120 -0.000 0.000 0.298 2062 V C -0.107 176.010 176.094 0.039 0.000 1.028 2062 V CA -0.637 61.660 62.300 -0.005 0.000 0.860 2062 V CB 1.868 33.668 31.823 -0.037 0.000 0.991 2062 V HN 0.686 nan 8.190 nan 0.000 0.427 2063 E N 4.981 125.177 120.200 -0.007 0.000 2.113 2063 E HA 0.519 4.869 4.350 -0.000 0.000 0.273 2063 E C -1.294 175.229 176.600 -0.128 0.000 0.924 2063 E CA -0.490 55.904 56.400 -0.011 0.000 0.764 2063 E CB 1.232 30.890 29.700 -0.071 0.000 1.104 2063 E HN 0.612 nan 8.360 nan 0.000 0.406 2064 I N 6.237 126.780 120.570 -0.045 0.000 2.339 2064 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 2064 I C -0.697 175.457 176.117 0.062 0.000 0.994 2064 I CA -0.894 60.375 61.300 -0.052 0.000 1.191 2064 I CB 0.494 38.502 38.000 0.012 0.000 1.343 2064 I HN 0.464 nan 8.210 nan 0.000 0.458 2065 Y N 4.612 124.915 120.300 0.004 0.000 2.662 2065 Y HA 1.005 5.555 4.550 -0.000 0.000 0.335 2065 Y C -0.150 175.750 175.900 0.000 0.000 1.066 2065 Y CA -2.487 55.612 58.100 -0.002 0.000 1.116 2065 Y CB 1.091 39.539 38.460 -0.020 0.000 1.308 2065 Y HN 0.639 nan 8.280 nan 0.000 0.502 2066 G N -0.248 108.663 108.800 0.186 0.000 2.313 2066 G HA2 0.433 4.393 3.960 -0.000 0.000 0.296 2066 G HA3 0.433 4.393 3.960 -0.000 0.000 0.296 2066 G C -3.507 171.372 174.900 -0.034 0.000 1.356 2066 G CA -1.158 43.966 45.100 0.040 0.000 0.833 2066 G HN 0.564 nan 8.290 nan 0.000 0.552 2067 P HA 0.217 nan 4.420 nan 0.000 0.271 2067 P C 0.292 177.577 177.300 -0.025 0.000 1.233 2067 P CA -0.120 62.954 63.100 -0.044 0.000 0.789 2067 P CB 0.399 32.075 31.700 -0.041 0.000 0.951 2068 E N -0.149 120.033 120.200 -0.029 0.000 2.459 2068 E HA 0.029 4.379 4.350 -0.000 0.000 0.264 2068 E C -0.345 176.235 176.600 -0.033 0.000 1.055 2068 E CA -0.385 55.998 56.400 -0.028 0.000 0.957 2068 E CB -0.508 29.172 29.700 -0.033 0.000 0.952 2068 E HN 0.309 nan 8.360 nan 0.000 0.448 2069 S N 0.695 116.369 115.700 -0.043 0.000 3.550 2069 S HA -0.200 4.270 4.470 -0.000 0.000 0.372 2069 S C 0.678 175.249 174.600 -0.048 0.000 0.966 2069 S CA 0.823 58.987 58.200 -0.060 0.000 1.229 2069 S CB -1.913 61.248 63.200 -0.064 0.000 0.917 2069 S HN 0.747 nan 8.310 nan 0.000 0.496 2070 S N -0.314 115.366 115.700 -0.033 0.000 2.510 2070 S HA 0.541 5.011 4.470 -0.000 0.000 0.230 2070 S C 1.591 176.175 174.600 -0.028 0.000 1.066 2070 S CA 0.617 58.804 58.200 -0.021 0.000 0.941 2070 S CB 0.645 63.848 63.200 0.005 0.000 0.829 2070 S HN 1.749 nan 8.310 nan 0.000 0.530 2071 G N 1.911 110.702 108.800 -0.015 0.000 3.272 2071 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.219 2071 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.219 2071 G C 0.861 175.788 174.900 0.046 0.000 0.952 2071 G CA 0.182 45.282 45.100 -0.001 0.000 0.833 2071 G HN 0.492 nan 8.290 nan 0.000 0.608 2072 K N 0.052 120.481 120.400 0.049 0.000 2.113 2072 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 2072 K C 1.936 178.582 176.600 0.076 0.000 1.047 2072 K CA 1.925 58.256 56.287 0.073 0.000 0.928 2072 K CB -0.535 32.011 32.500 0.077 0.000 0.716 2072 K HN 0.162 nan 8.250 nan 0.000 0.446 2073 T N 0.970 115.559 114.554 0.058 0.000 2.851 2073 T HA -0.058 4.292 4.350 -0.000 0.000 0.262 2073 T C 1.757 176.516 174.700 0.098 0.000 1.043 2073 T CA 1.713 63.859 62.100 0.075 0.000 1.140 2073 T CB -0.325 68.575 68.868 0.054 0.000 0.872 2073 T HN 0.400 nan 8.240 nan 0.000 0.446 2074 T N 2.602 117.217 114.554 0.101 0.000 2.624 2074 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 2074 T C 1.865 176.661 174.700 0.161 0.000 1.041 2074 T CA 1.272 63.483 62.100 0.186 0.000 1.159 2074 T CB -0.585 68.400 68.868 0.196 0.000 0.863 2074 T HN 0.204 nan 8.240 nan 0.000 0.434 2075 L N 0.202 121.514 121.223 0.149 0.000 1.994 2075 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 2075 L C 2.825 179.752 176.870 0.095 0.000 1.071 2075 L CA 1.587 56.509 54.840 0.137 0.000 0.745 2075 L CB -0.735 41.414 42.059 0.150 0.000 0.892 2075 L HN 0.263 nan 8.230 nan 0.000 0.431 2076 T N -0.145 114.465 114.554 0.095 0.000 2.653 2076 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 2076 T C 1.703 176.457 174.700 0.091 0.000 1.035 2076 T CA 1.898 64.053 62.100 0.092 0.000 1.154 2076 T CB -0.206 68.731 68.868 0.115 0.000 0.862 2076 T HN 0.127 nan 8.240 nan 0.000 0.441 2077 L N 0.841 122.119 121.223 0.091 0.000 2.217 2077 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 2077 L C 2.655 179.548 176.870 0.039 0.000 1.107 2077 L CA 1.301 56.174 54.840 0.056 0.000 0.783 2077 L CB -0.491 41.602 42.059 0.056 0.000 0.919 2077 L HN 0.194 nan 8.230 nan 0.000 0.442 2078 Q N -0.663 119.171 119.800 0.056 0.000 2.119 2078 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 2078 Q C 2.313 178.329 176.000 0.027 0.000 0.972 2078 Q CA 1.832 57.661 55.803 0.043 0.000 0.847 2078 Q CB -0.131 28.646 28.738 0.065 0.000 0.903 2078 Q HN 0.568 nan 8.270 nan 0.000 0.433 2079 V N -1.771 118.159 119.914 0.027 0.000 2.379 2079 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 2079 V C 2.225 178.327 176.094 0.014 0.000 1.044 2079 V CA 1.153 63.461 62.300 0.014 0.000 1.036 2079 V CB -0.874 30.954 31.823 0.008 0.000 0.664 2079 V HN 0.145 nan 8.190 nan 0.000 0.453 2080 I N 1.185 121.769 120.570 0.023 0.000 2.423 2080 I HA -0.204 3.966 4.170 -0.000 0.000 0.254 2080 I C 2.781 178.901 176.117 0.005 0.000 1.151 2080 I CA 1.486 62.798 61.300 0.020 0.000 1.421 2080 I CB -0.543 37.474 38.000 0.028 0.000 1.079 2080 I HN 0.395 nan 8.210 nan 0.000 0.431 2081 A N 0.804 123.625 122.820 0.002 0.000 1.832 2081 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 2081 A C 2.572 180.157 177.584 0.002 0.000 1.204 2081 A CA 1.405 53.440 52.037 -0.004 0.000 0.606 2081 A CB -1.051 17.945 19.000 -0.006 0.000 0.849 2081 A HN 0.359 nan 8.150 nan 0.000 0.445 2082 A N -0.275 122.550 122.820 0.009 0.000 2.032 2082 A HA 0.065 4.385 4.320 -0.000 0.000 0.221 2082 A C 2.368 179.956 177.584 0.006 0.000 1.165 2082 A CA 2.335 54.379 52.037 0.011 0.000 0.645 2082 A CB -0.861 18.146 19.000 0.012 0.000 0.807 2082 A HN 1.065 nan 8.150 nan 0.000 0.453 2083 A N -1.262 121.560 122.820 0.004 0.000 1.874 2083 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 2083 A C 2.070 179.656 177.584 0.002 0.000 1.189 2083 A CA 1.341 53.379 52.037 0.002 0.000 0.615 2083 A CB -0.447 18.555 19.000 0.003 0.000 0.830 2083 A HN 0.581 nan 8.150 nan 0.000 0.443 2084 Q N -0.949 118.853 119.800 0.002 0.000 2.364 2084 Q HA -0.011 4.329 4.340 -0.000 0.000 0.207 2084 Q C 1.417 177.416 176.000 -0.001 0.000 0.970 2084 Q CA 0.665 56.468 55.803 0.000 0.000 0.888 2084 Q CB 0.002 28.739 28.738 -0.003 0.000 0.951 2084 Q HN 0.508 nan 8.270 nan 0.000 0.469 2085 R N -0.122 120.378 120.500 -0.001 0.000 2.426 2085 R HA 0.069 4.409 4.340 -0.000 0.000 0.263 2085 R C 0.459 176.759 176.300 -0.000 0.000 0.961 2085 R CA 0.125 56.224 56.100 -0.002 0.000 1.086 2085 R CB 0.484 30.782 30.300 -0.003 0.000 1.186 2085 R HN 0.170 nan 8.270 nan 0.000 0.537 2086 E N -1.513 118.687 120.200 0.001 0.000 2.601 2086 E HA 0.156 4.506 4.350 -0.000 0.000 0.219 2086 E C 0.695 177.296 176.600 0.001 0.000 0.964 2086 E CA 0.330 56.730 56.400 0.001 0.000 1.050 2086 E CB 1.448 31.149 29.700 0.001 0.000 1.068 2086 E HN 0.422 nan 8.360 nan 0.000 0.496 2087 G N 2.115 110.916 108.800 0.001 0.000 2.611 2087 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.208 2087 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.208 2087 G C 0.105 175.007 174.900 0.004 0.000 1.201 2087 G CA -0.303 44.798 45.100 0.002 0.000 0.739 2087 G HN 0.127 nan 8.290 nan 0.000 0.528 2088 K N 2.947 123.349 120.400 0.003 0.000 2.477 2088 K HA 0.286 4.606 4.320 -0.000 0.000 0.275 2088 K C 0.512 177.115 176.600 0.006 0.000 1.054 2088 K CA 1.186 57.476 56.287 0.004 0.000 1.135 2088 K CB 0.084 32.585 32.500 0.002 0.000 0.854 2088 K HN 0.601 nan 8.250 nan 0.000 0.484 2089 T N 0.164 114.723 114.554 0.009 0.000 2.907 2089 T HA 0.516 4.866 4.350 -0.000 0.000 0.284 2089 T C 0.291 175.001 174.700 0.018 0.000 1.004 2089 T CA -1.091 61.017 62.100 0.014 0.000 1.063 2089 T CB 0.716 69.593 68.868 0.016 0.000 0.992 2089 T HN 0.635 nan 8.240 nan 0.000 0.483 2090 C N 0.764 120.079 119.300 0.025 0.000 2.719 2090 C HA 1.011 5.471 4.460 -0.000 0.000 0.327 2090 C C 0.242 175.267 174.990 0.058 0.000 1.238 2090 C CA -1.177 57.862 59.018 0.035 0.000 1.727 2090 C CB 0.676 28.439 27.740 0.038 0.000 2.256 2090 C HN 1.249 nan 8.230 nan 0.000 0.489 2091 A N 0.644 123.505 122.820 0.068 0.000 2.414 2091 A HA 0.853 5.173 4.320 -0.000 0.000 0.306 2091 A C -1.452 176.224 177.584 0.153 0.000 1.054 2091 A CA -0.244 51.852 52.037 0.099 0.000 0.724 2091 A CB 1.157 20.189 19.000 0.054 0.000 1.267 2091 A HN 1.019 nan 8.150 nan 0.000 0.418 2092 F N 4.049 124.006 119.950 0.011 0.000 2.496 2092 F HA 0.567 5.094 4.527 -0.000 0.000 0.341 2092 F C -0.967 174.861 175.800 0.046 0.000 1.134 2092 F CA -0.989 57.021 58.000 0.015 0.000 0.968 2092 F CB 1.021 40.028 39.000 0.012 0.000 1.205 2092 F HN 0.388 nan 8.300 nan 0.000 0.436 2093 I N 4.516 124.884 120.570 -0.335 0.000 2.325 2093 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 2093 I C -0.506 175.369 176.117 -0.404 0.000 1.019 2093 I CA -0.411 60.754 61.300 -0.225 0.000 1.302 2093 I CB 0.864 38.768 38.000 -0.160 0.000 1.401 2093 I HN 0.483 nan 8.210 nan 0.000 0.485 2094 D N 5.067 125.398 120.400 -0.115 0.000 2.414 2094 D HA 0.590 5.230 4.640 -0.000 0.000 0.232 2094 D C 0.445 176.768 176.300 0.039 0.000 1.070 2094 D CA -0.318 53.669 54.000 -0.022 0.000 0.839 2094 D CB 1.869 42.929 40.800 0.433 0.000 1.079 2094 D HN 0.631 nan 8.370 nan 0.000 0.521 2095 A N 3.739 126.512 122.820 -0.078 0.000 2.303 2095 A HA 0.102 4.422 4.320 -0.000 0.000 0.217 2095 A C 1.541 178.850 177.584 -0.458 0.000 1.205 2095 A CA 0.102 52.070 52.037 -0.114 0.000 0.875 2095 A CB 0.224 19.279 19.000 0.092 0.000 0.910 2095 A HN 0.473 nan 8.150 nan 0.000 0.501 2096 E N -0.213 119.786 120.200 -0.335 0.000 2.166 2096 E HA 0.022 4.372 4.350 -0.000 0.000 0.192 2096 E C -0.615 175.888 176.600 -0.161 0.000 0.967 2096 E CA 0.496 56.763 56.400 -0.221 0.000 0.840 2096 E CB -0.247 29.437 29.700 -0.027 0.000 0.795 2096 E HN 0.803 nan 8.360 nan 0.000 0.470 2097 H N -0.625 118.584 119.070 0.232 0.000 2.765 2097 H HA -0.178 4.378 4.556 0.000 0.000 0.332 2097 H C 0.432 175.963 175.328 0.339 0.000 1.180 2097 H CA -0.068 56.184 56.048 0.339 0.000 1.142 2097 H CB -1.350 28.500 29.762 0.145 0.000 1.576 2097 H HN 0.279 nan 8.280 nan 0.000 0.420 2098 A N 1.396 124.458 122.820 0.403 0.000 2.084 2098 A HA 0.436 4.756 4.320 -0.000 0.000 0.211 2098 A C 0.852 178.508 177.584 0.120 0.000 2.280 2098 A CA 0.094 52.262 52.037 0.217 0.000 1.128 2098 A CB 0.030 19.107 19.000 0.129 0.000 1.248 2098 A HN 0.713 nan 8.150 nan 0.000 0.624 2099 L N 1.437 122.638 121.223 -0.037 0.000 4.639 2099 L HA -0.166 4.174 4.340 -0.000 0.000 0.580 2099 L C -0.945 175.788 176.870 -0.228 0.000 0.983 2099 L CA 0.698 55.360 54.840 -0.296 0.000 0.510 2099 L CB -0.987 40.586 42.059 -0.809 0.000 0.381 2099 L HN 0.522 nan 8.230 nan 0.000 1.152 2100 D N 8.253 128.580 120.400 -0.121 0.000 2.380 2100 D HA 0.295 4.935 4.640 -0.000 0.000 0.230 2100 D C -1.470 174.809 176.300 -0.036 0.000 1.154 2100 D CA -1.852 52.128 54.000 -0.034 0.000 0.859 2100 D CB 1.198 42.003 40.800 0.009 0.000 1.045 2100 D HN 0.434 nan 8.370 nan 0.000 0.495 2101 P HA -0.206 nan 4.420 nan 0.000 0.214 2101 P C 1.821 179.119 177.300 -0.004 0.000 1.163 2101 P CA 0.746 63.815 63.100 -0.051 0.000 0.889 2101 P CB 0.436 32.142 31.700 0.010 0.000 0.790 2102 I N -1.437 119.155 120.570 0.036 0.000 2.163 2102 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 2102 I C 2.684 178.837 176.117 0.059 0.000 1.085 2102 I CA 1.580 62.907 61.300 0.046 0.000 1.347 2102 I CB -1.790 36.247 38.000 0.061 0.000 1.044 2102 I HN -0.064 nan 8.210 nan 0.000 0.408 2103 Y N 1.871 122.150 120.300 -0.034 0.000 2.181 2103 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 2103 Y C 2.633 178.507 175.900 -0.044 0.000 1.146 2103 Y CA 1.911 59.990 58.100 -0.034 0.000 1.164 2103 Y CB -0.222 38.211 38.460 -0.046 0.000 0.982 2103 Y HN 0.129 nan 8.280 nan 0.000 0.515 2104 A N 0.273 123.106 122.820 0.021 0.000 1.877 2104 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 2104 A C 2.332 179.855 177.584 -0.102 0.000 1.186 2104 A CA 1.754 53.752 52.037 -0.065 0.000 0.620 2104 A CB -0.769 18.177 19.000 -0.089 0.000 0.822 2104 A HN 0.507 nan 8.150 nan 0.000 0.443 2105 R N -0.261 120.195 120.500 -0.073 0.000 2.091 2105 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 2105 R C 1.959 178.210 176.300 -0.082 0.000 1.136 2105 R CA 1.950 58.014 56.100 -0.061 0.000 0.959 2105 R CB -0.185 30.095 30.300 -0.033 0.000 0.856 2105 R HN 0.509 nan 8.270 nan 0.000 0.437 2106 K N -0.069 120.261 120.400 -0.118 0.000 2.366 2106 K HA -0.009 4.311 4.320 -0.000 0.000 0.198 2106 K C 1.852 178.338 176.600 -0.189 0.000 1.044 2106 K CA 0.458 56.663 56.287 -0.136 0.000 0.973 2106 K CB 0.170 32.591 32.500 -0.131 0.000 0.767 2106 K HN 0.212 nan 8.250 nan 0.000 0.475 2107 L N -0.507 120.563 121.223 -0.255 0.000 2.240 2107 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 2107 L C 0.970 177.778 176.870 -0.103 0.000 1.106 2107 L CA 0.894 55.601 54.840 -0.221 0.000 0.793 2107 L CB 0.189 42.094 42.059 -0.256 0.000 0.927 2107 L HN 0.485 nan 8.230 nan 0.000 0.446 2108 G N -0.363 108.385 108.800 -0.087 0.000 2.157 2108 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.118 2108 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.118 2108 G C -0.276 174.598 174.900 -0.043 0.000 1.032 2108 G CA -0.355 44.714 45.100 -0.052 0.000 0.697 2108 G HN -0.001 nan 8.290 nan 0.000 0.495 2109 V N 0.989 120.871 119.914 -0.054 0.000 2.407 2109 V HA 0.443 4.563 4.120 -0.000 0.000 0.278 2109 V C 0.226 176.295 176.094 -0.042 0.000 1.037 2109 V CA -0.745 61.525 62.300 -0.049 0.000 0.900 2109 V CB 1.809 33.590 31.823 -0.070 0.000 0.983 2109 V HN 0.284 nan 8.190 nan 0.000 0.459 2110 D N 4.412 124.794 120.400 -0.030 0.000 2.455 2110 D HA 0.117 4.757 4.640 -0.000 0.000 0.234 2110 D C 1.094 177.379 176.300 -0.025 0.000 1.224 2110 D CA -0.155 53.833 54.000 -0.021 0.000 0.999 2110 D CB 0.527 41.320 40.800 -0.012 0.000 1.072 2110 D HN 0.299 nan 8.370 nan 0.000 0.514 2111 I N 2.531 123.082 120.570 -0.032 0.000 2.208 2111 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 2111 I C 1.367 177.478 176.117 -0.010 0.000 1.097 2111 I CA 1.115 62.392 61.300 -0.039 0.000 1.363 2111 I CB -0.618 37.357 38.000 -0.042 0.000 1.051 2111 I HN 0.324 nan 8.210 nan 0.000 0.413 2112 D N 0.938 121.339 120.400 0.002 0.000 2.133 2112 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 2112 D C 1.306 177.617 176.300 0.018 0.000 0.997 2112 D CA 1.150 55.159 54.000 0.015 0.000 0.840 2112 D CB -0.261 40.547 40.800 0.013 0.000 0.947 2112 D HN 0.304 nan 8.370 nan 0.000 0.452 2113 N N 0.117 118.824 118.700 0.012 0.000 2.251 2113 N HA 0.077 4.817 4.740 -0.000 0.000 0.217 2113 N C -0.136 175.386 175.510 0.020 0.000 1.124 2113 N CA -0.102 52.958 53.050 0.017 0.000 0.843 2113 N CB 0.597 39.091 38.487 0.012 0.000 1.024 2113 N HN 0.211 nan 8.380 nan 0.000 0.501 2114 L N 1.161 122.394 121.223 0.017 0.000 2.379 2114 L HA 0.430 4.770 4.340 -0.000 0.000 0.269 2114 L C -0.518 176.385 176.870 0.055 0.000 1.084 2114 L CA -0.341 54.513 54.840 0.023 0.000 0.802 2114 L CB 1.090 43.140 42.059 -0.015 0.000 1.175 2114 L HN -0.077 nan 8.230 nan 0.000 0.448 2115 L N 4.523 125.795 121.223 0.082 0.000 2.282 2115 L HA 0.364 4.704 4.340 -0.000 0.000 0.288 2115 L C -0.263 176.712 176.870 0.175 0.000 1.033 2115 L CA -0.406 54.499 54.840 0.109 0.000 0.807 2115 L CB 1.605 43.718 42.059 0.090 0.000 1.209 2115 L HN 0.634 nan 8.230 nan 0.000 0.423 2116 C N 2.322 121.739 119.300 0.195 0.000 2.456 2116 C HA 0.772 5.232 4.460 -0.000 0.000 0.325 2116 C C -0.031 175.095 174.990 0.227 0.000 1.217 2116 C CA -0.184 59.013 59.018 0.298 0.000 1.687 2116 C CB 1.533 29.496 27.740 0.371 0.000 2.270 2116 C HN 0.824 nan 8.230 nan 0.000 0.499 2117 S N 4.133 119.970 115.700 0.229 0.000 2.779 2117 S HA 0.372 4.842 4.470 -0.000 0.000 0.293 2117 S C -1.018 173.678 174.600 0.160 0.000 1.150 2117 S CA -0.317 57.970 58.200 0.145 0.000 1.057 2117 S CB 1.228 64.472 63.200 0.073 0.000 1.021 2117 S HN 0.840 nan 8.310 nan 0.000 0.485 2118 Q N 3.099 123.000 119.800 0.168 0.000 2.569 2118 Q HA 0.283 4.623 4.340 -0.000 0.000 0.226 2118 Q C -2.488 173.627 176.000 0.191 0.000 1.136 2118 Q CA -1.797 54.137 55.803 0.219 0.000 0.947 2118 Q CB 0.552 29.392 28.738 0.170 0.000 1.218 2118 Q HN 0.330 nan 8.270 nan 0.000 0.547 2119 P HA 0.025 nan 4.420 nan 0.000 0.276 2119 P C 0.122 177.540 177.300 0.196 0.000 1.252 2119 P CA -0.369 62.792 63.100 0.103 0.000 0.802 2119 P CB 1.150 32.855 31.700 0.007 0.000 1.035 2120 D N -1.056 119.400 120.400 0.093 0.000 2.201 2120 D HA -0.032 4.608 4.640 -0.000 0.000 0.209 2120 D C 0.030 176.204 176.300 -0.210 0.000 0.961 2120 D CA 1.304 55.365 54.000 0.103 0.000 0.861 2120 D CB 0.584 41.459 40.800 0.124 0.000 0.997 2120 D HN 0.311 nan 8.370 nan 0.000 0.486 2121 T N -1.791 112.620 114.554 -0.239 0.000 2.900 2121 T HA 0.468 4.818 4.350 -0.000 0.000 0.295 2121 T C 1.126 175.653 174.700 -0.289 0.000 1.044 2121 T CA -0.096 61.782 62.100 -0.370 0.000 0.995 2121 T CB 1.600 70.335 68.868 -0.222 0.000 1.072 2121 T HN -0.007 nan 8.240 nan 0.000 0.473 2122 G N 2.576 111.184 108.800 -0.319 0.000 2.553 2122 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 2122 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 2122 G C 1.050 175.881 174.900 -0.114 0.000 1.195 2122 G CA 1.706 46.704 45.100 -0.171 0.000 0.779 2122 G HN 0.843 nan 8.290 nan 0.000 0.577 2123 E N -0.146 119.989 120.200 -0.109 0.000 2.045 2123 E HA -0.279 4.071 4.350 -0.000 0.000 0.212 2123 E C 2.476 179.023 176.600 -0.088 0.000 1.039 2123 E CA 1.884 58.244 56.400 -0.067 0.000 0.860 2123 E CB -0.422 29.251 29.700 -0.046 0.000 0.776 2123 E HN 0.651 nan 8.360 nan 0.000 0.467 2124 Q N 0.249 119.971 119.800 -0.130 0.000 2.118 2124 Q HA -0.331 4.009 4.340 -0.000 0.000 0.211 2124 Q C 2.124 177.946 176.000 -0.297 0.000 0.998 2124 Q CA 2.103 57.751 55.803 -0.258 0.000 0.872 2124 Q CB -0.317 28.269 28.738 -0.253 0.000 0.925 2124 Q HN 0.320 nan 8.270 nan 0.000 0.414 2125 A N 0.823 123.533 122.820 -0.183 0.000 1.869 2125 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 2125 A C 2.122 179.649 177.584 -0.095 0.000 1.203 2125 A CA 1.954 53.916 52.037 -0.125 0.000 0.638 2125 A CB -1.092 17.873 19.000 -0.059 0.000 0.831 2125 A HN 0.494 nan 8.150 nan 0.000 0.450 2126 L N -0.784 120.413 121.223 -0.044 0.000 1.990 2126 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 2126 L C 2.607 179.469 176.870 -0.013 0.000 1.072 2126 L CA 1.990 56.838 54.840 0.012 0.000 0.755 2126 L CB -0.778 41.309 42.059 0.046 0.000 0.889 2126 L HN 0.484 nan 8.230 nan 0.000 0.432 2127 E N 0.027 120.204 120.200 -0.039 0.000 2.267 2127 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 2127 E C 2.192 178.796 176.600 0.006 0.000 0.998 2127 E CA 1.103 57.514 56.400 0.017 0.000 0.830 2127 E CB -0.171 29.575 29.700 0.075 0.000 0.751 2127 E HN 0.554 nan 8.360 nan 0.000 0.491 2128 I N 0.456 120.938 120.570 -0.146 0.000 2.233 2128 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 2128 I C 2.426 178.539 176.117 -0.007 0.000 1.093 2128 I CA 0.590 61.829 61.300 -0.102 0.000 1.380 2128 I CB -0.316 37.570 38.000 -0.189 0.000 1.067 2128 I HN 0.213 nan 8.210 nan 0.000 0.413 2129 C N 0.351 119.635 119.300 -0.026 0.000 2.401 2129 C HA -0.223 4.237 4.460 -0.000 0.000 0.276 2129 C C 2.493 177.488 174.990 0.008 0.000 1.233 2129 C CA 0.476 59.482 59.018 -0.020 0.000 1.753 2129 C CB -1.106 26.609 27.740 -0.042 0.000 2.029 2129 C HN 0.539 nan 8.230 nan 0.000 0.478 2130 D N 0.838 121.256 120.400 0.030 0.000 2.230 2130 D HA -0.201 4.439 4.640 -0.000 0.000 0.189 2130 D C 2.249 178.579 176.300 0.049 0.000 1.006 2130 D CA 2.437 56.464 54.000 0.046 0.000 0.853 2130 D CB -0.351 40.494 40.800 0.074 0.000 0.959 2130 D HN 0.518 nan 8.370 nan 0.000 0.449 2131 A N -0.118 122.749 122.820 0.079 0.000 2.119 2131 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 2131 A C 2.421 180.038 177.584 0.054 0.000 1.152 2131 A CA 0.293 52.374 52.037 0.074 0.000 0.708 2131 A CB -0.354 18.711 19.000 0.108 0.000 0.805 2131 A HN 0.253 nan 8.150 nan 0.000 0.460 2132 L N -1.113 120.137 121.223 0.045 0.000 2.217 2132 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 2132 L C 2.929 179.807 176.870 0.013 0.000 1.107 2132 L CA 0.753 55.610 54.840 0.028 0.000 0.783 2132 L CB -0.306 41.763 42.059 0.016 0.000 0.919 2132 L HN 0.434 nan 8.230 nan 0.000 0.442 2133 A N 0.190 123.015 122.820 0.008 0.000 1.854 2133 A HA -0.094 4.226 4.320 -0.000 0.000 0.214 2133 A C 1.564 179.151 177.584 0.006 0.000 1.192 2133 A CA 0.721 52.758 52.037 -0.000 0.000 0.611 2133 A CB -0.311 18.686 19.000 -0.005 0.000 0.832 2133 A HN 0.275 nan 8.150 nan 0.000 0.442 2134 R N 0.826 121.334 120.500 0.013 0.000 3.641 2134 R HA 0.139 4.479 4.340 -0.000 0.000 0.189 2134 R C 0.527 176.836 176.300 0.016 0.000 1.706 2134 R CA 0.520 56.628 56.100 0.013 0.000 1.311 2134 R CB -0.217 30.093 30.300 0.016 0.000 1.330 2134 R HN 0.699 nan 8.270 nan 0.000 0.727 2135 S N -1.935 113.772 115.700 0.013 0.000 3.050 2135 S HA 0.126 4.596 4.470 -0.000 0.000 0.261 2135 S C 1.397 176.002 174.600 0.009 0.000 1.057 2135 S CA 0.238 58.446 58.200 0.014 0.000 1.012 2135 S CB 0.538 63.749 63.200 0.018 0.000 0.919 2135 S HN 0.492 nan 8.310 nan 0.000 0.429 2136 G N 1.700 110.503 108.800 0.006 0.000 2.184 2136 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.264 2136 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.264 2136 G C 0.848 175.751 174.900 0.004 0.000 0.975 2136 G CA 0.536 45.638 45.100 0.003 0.000 0.642 2136 G HN 1.623 nan 8.290 nan 0.000 0.536 2137 A N -0.886 121.939 122.820 0.008 0.000 2.288 2137 A HA 0.675 4.995 4.320 -0.000 0.000 0.216 2137 A C 0.885 178.475 177.584 0.011 0.000 1.199 2137 A CA 1.058 53.101 52.037 0.010 0.000 0.891 2137 A CB 0.646 19.654 19.000 0.013 0.000 0.923 2137 A HN 0.989 nan 8.150 nan 0.000 0.500 2138 V N 1.662 121.582 119.914 0.009 0.000 2.364 2138 V HA 0.207 4.327 4.120 -0.000 0.000 0.272 2138 V C -0.067 176.027 176.094 -0.000 0.000 1.036 2138 V CA -0.328 61.977 62.300 0.008 0.000 0.880 2138 V CB 1.153 32.981 31.823 0.009 0.000 0.991 2138 V HN 0.374 nan 8.190 nan 0.000 0.460 2139 D N 2.684 123.084 120.400 -0.000 0.000 2.389 2139 D HA 0.126 4.766 4.640 -0.000 0.000 0.206 2139 D C 0.199 176.492 176.300 -0.012 0.000 1.055 2139 D CA 0.841 54.837 54.000 -0.006 0.000 0.856 2139 D CB 1.905 42.703 40.800 -0.002 0.000 0.957 2139 D HN 0.417 nan 8.370 nan 0.000 0.509 2140 V N 1.263 121.170 119.914 -0.011 0.000 2.653 2140 V HA 0.341 4.461 4.120 -0.000 0.000 0.298 2140 V C -1.721 174.362 176.094 -0.018 0.000 1.097 2140 V CA -0.702 61.587 62.300 -0.018 0.000 0.908 2140 V CB 1.640 33.459 31.823 -0.007 0.000 1.024 2140 V HN -0.136 nan 8.190 nan 0.000 0.435 2141 I N 6.532 127.069 120.570 -0.055 0.000 2.412 2141 I HA 0.629 4.799 4.170 -0.000 0.000 0.296 2141 I C -0.558 175.491 176.117 -0.114 0.000 0.987 2141 I CA -1.006 60.248 61.300 -0.076 0.000 1.180 2141 I CB 2.055 39.983 38.000 -0.119 0.000 1.340 2141 I HN 0.379 nan 8.210 nan 0.000 0.455 2142 V N 6.697 126.558 119.914 -0.088 0.000 2.540 2142 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 2142 V C -0.371 175.563 176.094 -0.266 0.000 1.035 2142 V CA -0.614 61.613 62.300 -0.121 0.000 0.873 2142 V CB 2.431 34.281 31.823 0.045 0.000 0.992 2142 V HN 0.417 nan 8.190 nan 0.000 0.428 2143 V N 3.048 122.810 119.914 -0.253 0.000 2.350 2143 V HA 0.511 4.631 4.120 -0.000 0.000 0.285 2143 V C -0.737 175.282 176.094 -0.125 0.000 1.014 2143 V CA -0.548 61.625 62.300 -0.211 0.000 0.831 2143 V CB 1.619 33.390 31.823 -0.087 0.000 1.000 2143 V HN 0.804 nan 8.190 nan 0.000 0.433 2144 D N 3.644 123.892 120.400 -0.253 0.000 2.461 2144 D HA 0.613 5.253 4.640 -0.000 0.000 0.240 2144 D C -0.306 175.939 176.300 -0.092 0.000 1.094 2144 D CA 0.278 54.193 54.000 -0.141 0.000 0.868 2144 D CB 1.765 42.458 40.800 -0.177 0.000 1.062 2144 D HN 0.768 nan 8.370 nan 0.000 0.530 2145 S N 1.014 116.703 115.700 -0.019 0.000 2.607 2145 S HA 0.309 4.779 4.470 -0.000 0.000 0.273 2145 S C 1.039 175.662 174.600 0.039 0.000 1.148 2145 S CA -0.667 57.549 58.200 0.026 0.000 0.833 2145 S CB 1.266 64.479 63.200 0.021 0.000 1.130 2145 S HN -0.015 nan 8.310 nan 0.000 0.470 2146 V N 1.831 121.772 119.914 0.046 0.000 2.233 2146 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 2146 V C 3.116 179.191 176.094 -0.033 0.000 1.063 2146 V CA 2.991 65.271 62.300 -0.033 0.000 1.032 2146 V CB -1.692 30.068 31.823 -0.105 0.000 0.645 2146 V HN 1.073 nan 8.190 nan 0.000 0.446 2147 A N -0.430 122.378 122.820 -0.019 0.000 1.940 2147 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 2147 A C 2.274 179.860 177.584 0.003 0.000 1.176 2147 A CA 2.163 54.189 52.037 -0.017 0.000 0.631 2147 A CB -0.672 18.319 19.000 -0.016 0.000 0.814 2147 A HN 0.684 nan 8.150 nan 0.000 0.446 2148 A N -1.152 121.679 122.820 0.019 0.000 2.169 2148 A HA 0.291 4.611 4.320 -0.000 0.000 0.212 2148 A C 1.007 178.673 177.584 0.135 0.000 1.153 2148 A CA 0.268 52.343 52.037 0.063 0.000 0.756 2148 A CB -0.200 18.813 19.000 0.021 0.000 0.813 2148 A HN 0.300 nan 8.150 nan 0.000 0.471 2149 L N 2.789 124.048 121.223 0.061 0.000 3.168 2149 L HA 0.032 4.372 4.340 -0.000 0.000 0.253 2149 L C 0.638 177.483 176.870 -0.043 0.000 1.384 2149 L CA 0.720 55.571 54.840 0.018 0.000 1.131 2149 L CB -2.272 39.783 42.059 -0.006 0.000 1.552 2149 L HN 0.411 nan 8.230 nan 0.000 0.431 2150 T N -0.026 114.518 114.554 -0.016 0.000 2.834 2150 T HA 0.274 4.624 4.350 -0.000 0.000 0.298 2150 T C -2.054 172.528 174.700 -0.197 0.000 0.966 2150 T CA -1.373 60.690 62.100 -0.062 0.000 1.141 2150 T CB 0.641 69.530 68.868 0.035 0.000 0.905 2150 T HN 0.185 nan 8.240 nan 0.000 0.535 2151 P HA 0.129 nan 4.420 nan 0.000 0.273 2151 P C 0.830 178.027 177.300 -0.173 0.000 1.250 2151 P CA -0.635 62.375 63.100 -0.150 0.000 0.793 2151 P CB 1.041 32.686 31.700 -0.091 0.000 1.011 2152 K N 0.656 120.971 120.400 -0.142 0.000 2.057 2152 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 2152 K C 1.992 178.536 176.600 -0.093 0.000 1.050 2152 K CA 1.593 57.805 56.287 -0.124 0.000 0.935 2152 K CB -0.750 31.708 32.500 -0.070 0.000 0.715 2152 K HN 0.455 nan 8.250 nan 0.000 0.439 2153 A N 1.341 124.120 122.820 -0.069 0.000 1.927 2153 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 2153 A C 1.970 179.519 177.584 -0.057 0.000 1.185 2153 A CA 2.086 54.093 52.037 -0.050 0.000 0.639 2153 A CB -0.507 18.469 19.000 -0.039 0.000 0.820 2153 A HN 0.536 nan 8.150 nan 0.000 0.451 2154 E N -0.816 119.340 120.200 -0.074 0.000 2.230 2154 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 2154 E C 1.726 178.272 176.600 -0.091 0.000 0.987 2154 E CA 0.396 56.756 56.400 -0.068 0.000 0.841 2154 E CB -0.113 29.552 29.700 -0.059 0.000 0.783 2154 E HN 0.682 nan 8.360 nan 0.000 0.481 2155 I N 0.805 121.291 120.570 -0.141 0.000 2.614 2155 I HA -0.144 4.026 4.170 -0.000 0.000 0.258 2155 I C 1.182 177.194 176.117 -0.175 0.000 1.189 2155 I CA 0.785 61.957 61.300 -0.213 0.000 1.462 2155 I CB 0.039 37.837 38.000 -0.336 0.000 1.092 2155 I HN 0.094 nan 8.210 nan 0.000 0.442 2166 L N -0.284 120.925 121.223 -0.023 0.000 2.253 2166 L HA 0.656 4.996 4.340 -0.000 0.000 0.205 2166 L C 2.158 179.013 176.870 -0.024 0.000 1.078 2166 L CA 1.100 55.928 54.840 -0.022 0.000 0.805 2166 L CB -0.291 41.757 42.059 -0.018 0.000 0.963 2166 L HN 0.319 nan 8.230 nan 0.000 0.459 2167 A N 0.990 123.793 122.820 -0.027 0.000 2.900 2167 A HA 0.533 4.853 4.320 -0.000 0.000 0.246 2167 A C 1.738 179.300 177.584 -0.036 0.000 1.725 2167 A CA 0.497 52.516 52.037 -0.030 0.000 1.400 2167 A CB -0.838 18.142 19.000 -0.034 0.000 0.973 2167 A HN 0.472 nan 8.150 nan 0.000 0.635 2168 A N 0.083 122.882 122.820 -0.034 0.000 2.235 2168 A HA 0.005 4.325 4.320 -0.000 0.000 0.208 2168 A C 2.031 179.595 177.584 -0.034 0.000 1.172 2168 A CA 0.640 52.653 52.037 -0.041 0.000 0.786 2168 A CB -0.276 18.701 19.000 -0.039 0.000 0.804 2168 A HN 0.690 nan 8.150 nan 0.000 0.479 2169 R N -0.879 119.606 120.500 -0.025 0.000 2.092 2169 R HA -0.061 4.279 4.340 -0.000 0.000 0.231 2169 R C 2.209 178.502 176.300 -0.012 0.000 1.119 2169 R CA 1.488 57.580 56.100 -0.014 0.000 0.970 2169 R CB -0.445 29.848 30.300 -0.012 0.000 0.864 2169 R HN 0.654 nan 8.270 nan 0.000 0.440 2170 M N 0.146 119.733 119.600 -0.022 0.000 2.080 2170 M HA -0.233 4.247 4.480 -0.000 0.000 0.260 2170 M C 1.917 178.206 176.300 -0.019 0.000 1.068 2170 M CA 1.686 56.973 55.300 -0.021 0.000 1.109 2170 M CB -0.014 32.563 32.600 -0.038 0.000 1.342 2170 M HN 0.176 nan 8.290 nan 0.000 0.405 2171 M N 0.188 119.763 119.600 -0.040 0.000 2.149 2171 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 2171 M C 2.132 178.424 176.300 -0.013 0.000 1.064 2171 M CA 1.719 56.984 55.300 -0.060 0.000 1.102 2171 M CB -1.098 31.433 32.600 -0.115 0.000 1.369 2171 M HN 0.342 nan 8.290 nan 0.000 0.408 2172 S N -0.247 115.454 115.700 0.003 0.000 2.423 2172 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 2172 S C 1.558 176.196 174.600 0.063 0.000 1.014 2172 S CA 0.755 58.977 58.200 0.037 0.000 0.965 2172 S CB -0.099 63.115 63.200 0.023 0.000 0.785 2172 S HN 0.413 nan 8.310 nan 0.000 0.495 2173 Q N 2.107 121.933 119.800 0.043 0.000 1.596 2173 Q HA 0.162 4.502 4.340 -0.000 0.000 0.476 2173 Q C 1.993 178.031 176.000 0.063 0.000 0.959 2173 Q CA 1.601 57.432 55.803 0.047 0.000 0.901 2173 Q CB -0.768 27.987 28.738 0.029 0.000 0.932 2173 Q HN 0.406 nan 8.270 nan 0.000 0.389 2174 A N -0.023 122.830 122.820 0.056 0.000 2.277 2174 A HA -0.108 4.212 4.320 -0.000 0.000 0.208 2174 A C 1.692 179.322 177.584 0.076 0.000 1.202 2174 A CA 1.131 53.204 52.037 0.059 0.000 0.762 2174 A CB -0.806 18.227 19.000 0.055 0.000 0.770 2174 A HN 0.604 nan 8.150 nan 0.000 0.487 2175 M N 0.303 119.964 119.600 0.102 0.000 2.066 2175 M HA -0.144 4.336 4.480 -0.000 0.000 0.259 2175 M C 2.108 178.459 176.300 0.085 0.000 1.074 2175 M CA 2.180 57.568 55.300 0.146 0.000 1.114 2175 M CB -0.474 32.254 32.600 0.212 0.000 1.306 2175 M HN 0.441 nan 8.290 nan 0.000 0.411 2176 R N 0.117 120.671 120.500 0.089 0.000 2.096 2176 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 2176 R C 2.277 178.509 176.300 -0.113 0.000 1.127 2176 R CA 1.672 57.720 56.100 -0.086 0.000 0.968 2176 R CB -0.496 29.858 30.300 0.089 0.000 0.861 2176 R HN 0.501 nan 8.270 nan 0.000 0.440 2177 K N 0.580 120.964 120.400 -0.026 0.000 2.097 2177 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 2177 K C 2.204 178.787 176.600 -0.028 0.000 1.050 2177 K CA 0.913 57.188 56.287 -0.021 0.000 0.938 2177 K CB -0.123 32.383 32.500 0.010 0.000 0.718 2177 K HN 0.213 nan 8.250 nan 0.000 0.442 2178 L N 0.607 121.822 121.223 -0.013 0.000 2.156 2178 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 2178 L C 2.268 179.115 176.870 -0.040 0.000 1.095 2178 L CA 1.177 56.013 54.840 -0.006 0.000 0.770 2178 L CB -0.271 41.809 42.059 0.035 0.000 0.914 2178 L HN 0.168 nan 8.230 nan 0.000 0.439 2179 A N -0.068 122.694 122.820 -0.096 0.000 1.884 2179 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 2179 A C 2.286 179.805 177.584 -0.109 0.000 1.197 2179 A CA 2.070 54.015 52.037 -0.154 0.000 0.637 2179 A CB -1.574 17.187 19.000 -0.397 0.000 0.827 2179 A HN 0.511 nan 8.150 nan 0.000 0.450 2180 G N -0.555 108.184 108.800 -0.101 0.000 2.404 2180 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.215 2180 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.215 2180 G C 1.328 176.205 174.900 -0.039 0.000 1.174 2180 G CA 0.913 45.975 45.100 -0.064 0.000 0.780 2180 G HN 0.721 nan 8.290 nan 0.000 0.537 2181 N N 0.200 118.881 118.700 -0.031 0.000 2.417 2181 N HA -0.064 4.676 4.740 -0.000 0.000 0.187 2181 N C 1.939 177.439 175.510 -0.018 0.000 1.027 2181 N CA 0.391 53.430 53.050 -0.018 0.000 0.891 2181 N CB -0.125 38.356 38.487 -0.009 0.000 0.956 2181 N HN 0.320 nan 8.380 nan 0.000 0.442 2182 L N 0.155 121.363 121.223 -0.025 0.000 2.249 2182 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 2182 L C 2.011 178.869 176.870 -0.020 0.000 1.090 2182 L CA 0.674 55.499 54.840 -0.024 0.000 0.802 2182 L CB -0.127 41.913 42.059 -0.032 0.000 0.947 2182 L HN -0.041 nan 8.230 nan 0.000 0.453 2183 K N 0.401 120.789 120.400 -0.020 0.000 2.209 2183 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 2183 K C 1.514 178.108 176.600 -0.010 0.000 1.048 2183 K CA 1.103 57.382 56.287 -0.014 0.000 0.940 2183 K CB 0.019 32.511 32.500 -0.013 0.000 0.729 2183 K HN 0.313 nan 8.250 nan 0.000 0.451 2184 Q N -0.748 119.046 119.800 -0.010 0.000 2.228 2184 Q HA 0.146 4.486 4.340 -0.000 0.000 0.211 2184 Q C 0.185 176.182 176.000 -0.005 0.000 0.890 2184 Q CA 0.056 55.855 55.803 -0.007 0.000 0.953 2184 Q CB 0.865 29.599 28.738 -0.006 0.000 1.053 2184 Q HN 0.089 nan 8.270 nan 0.000 0.471 2185 S N -0.852 114.843 115.700 -0.007 0.000 2.560 2185 S HA 0.060 4.530 4.470 -0.000 0.000 0.281 2185 S C 0.333 174.929 174.600 -0.007 0.000 1.075 2185 S CA -0.356 57.841 58.200 -0.006 0.000 1.295 2185 S CB 0.525 63.721 63.200 -0.007 0.000 1.156 2185 S HN 0.302 nan 8.310 nan 0.000 0.627 2186 N N 1.556 120.250 118.700 -0.009 0.000 2.857 2186 N HA -0.130 4.610 4.740 -0.000 0.000 0.242 2186 N C -0.592 174.909 175.510 -0.015 0.000 0.983 2186 N CA 1.414 54.457 53.050 -0.011 0.000 0.934 2186 N CB -1.830 36.653 38.487 -0.007 0.000 1.115 2186 N HN 0.427 nan 8.380 nan 0.000 0.593 2187 T N 1.367 115.910 114.554 -0.017 0.000 2.734 2187 T HA 0.095 4.445 4.350 -0.000 0.000 0.269 2187 T C 0.582 175.260 174.700 -0.037 0.000 0.964 2187 T CA -0.227 61.858 62.100 -0.025 0.000 1.226 2187 T CB -0.062 68.791 68.868 -0.024 0.000 0.910 2187 T HN 0.221 nan 8.240 nan 0.000 0.534 2188 L N 6.055 127.255 121.223 -0.038 0.000 2.315 2188 L HA 0.526 4.866 4.340 -0.000 0.000 0.283 2188 L C -0.536 176.286 176.870 -0.080 0.000 1.089 2188 L CA -0.189 54.621 54.840 -0.049 0.000 0.833 2188 L CB 0.253 42.289 42.059 -0.037 0.000 1.170 2188 L HN 0.573 nan 8.230 nan 0.000 0.442 2189 L N 6.339 127.493 121.223 -0.114 0.000 2.307 2189 L HA 0.602 4.942 4.340 -0.000 0.000 0.284 2189 L C -0.861 175.869 176.870 -0.233 0.000 1.023 2189 L CA -0.313 54.401 54.840 -0.209 0.000 0.810 2189 L CB 1.186 43.076 42.059 -0.283 0.000 1.231 2189 L HN 0.653 nan 8.230 nan 0.000 0.423 2190 I N 4.624 125.038 120.570 -0.259 0.000 2.378 2190 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 2190 I C -0.838 175.121 176.117 -0.263 0.000 0.992 2190 I CA -0.358 60.832 61.300 -0.183 0.000 1.154 2190 I CB 1.429 39.382 38.000 -0.079 0.000 1.315 2190 I HN 0.415 nan 8.210 nan 0.000 0.448 2191 F N 6.225 126.155 119.950 -0.033 0.000 2.440 2191 F HA 0.607 5.134 4.527 -0.000 0.000 0.328 2191 F C 0.199 175.984 175.800 -0.024 0.000 1.070 2191 F CA -0.694 57.286 58.000 -0.034 0.000 1.011 2191 F CB 1.369 40.352 39.000 -0.028 0.000 1.226 2191 F HN 0.119 nan 8.300 nan 0.000 0.491 2192 I N 2.113 122.821 120.570 0.230 0.000 2.499 2192 I HA 0.356 4.526 4.170 -0.000 0.000 0.288 2192 I C -0.657 175.524 176.117 0.107 0.000 1.048 2192 I CA -0.673 60.706 61.300 0.133 0.000 1.062 2192 I CB 1.856 39.910 38.000 0.090 0.000 1.238 2192 I HN 0.470 nan 8.210 nan 0.000 0.426 2193 N N 3.926 122.696 118.700 0.117 0.000 2.890 2193 N HA 0.590 5.330 4.740 -0.000 0.000 0.317 2193 N C -1.280 174.271 175.510 0.068 0.000 1.355 2193 N CA -0.487 52.614 53.050 0.084 0.000 0.803 2193 N CB 1.745 40.296 38.487 0.107 0.000 1.465 2193 N HN 0.585 nan 8.380 nan 0.000 0.591 2212 G N -0.832 107.912 108.800 -0.094 0.000 2.417 2212 G HA2 0.436 4.396 3.960 -0.000 0.000 0.334 2212 G HA3 0.436 4.396 3.960 -0.000 0.000 0.334 2212 G C 0.579 175.440 174.900 -0.066 0.000 1.150 2212 G CA -0.275 44.782 45.100 -0.072 0.000 0.923 2212 G HN 0.522 nan 8.290 nan 0.000 0.485 2213 N N 0.817 119.498 118.700 -0.032 0.000 2.272 2213 N HA -0.143 4.597 4.740 -0.000 0.000 0.185 2213 N C 2.419 177.937 175.510 0.014 0.000 1.014 2213 N CA 1.506 54.551 53.050 -0.008 0.000 0.870 2213 N CB -0.058 38.457 38.487 0.047 0.000 0.975 2213 N HN 0.537 nan 8.380 nan 0.000 0.433 2214 A N 0.509 123.339 122.820 0.016 0.000 1.877 2214 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 2214 A C 2.153 179.743 177.584 0.011 0.000 1.186 2214 A CA 1.202 53.261 52.037 0.035 0.000 0.620 2214 A CB -0.883 18.138 19.000 0.035 0.000 0.822 2214 A HN 0.339 nan 8.150 nan 0.000 0.443 2215 L N 0.261 121.456 121.223 -0.046 0.000 2.043 2215 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 2215 L C 2.235 179.052 176.870 -0.089 0.000 1.075 2215 L CA 2.701 57.507 54.840 -0.057 0.000 0.752 2215 L CB -0.773 41.182 42.059 -0.173 0.000 0.891 2215 L HN 0.494 nan 8.230 nan 0.000 0.432 2216 K N -1.778 118.492 120.400 -0.215 0.000 2.189 2216 K HA -0.255 4.065 4.320 -0.000 0.000 0.207 2216 K C 1.726 178.046 176.600 -0.468 0.000 1.046 2216 K CA 2.185 58.222 56.287 -0.417 0.000 0.928 2216 K CB -0.185 31.927 32.500 -0.646 0.000 0.720 2216 K HN 0.386 nan 8.250 nan 0.000 0.458 2217 F N -1.769 118.154 119.950 -0.046 0.000 2.399 2217 F HA 0.085 4.612 4.527 -0.000 0.000 0.282 2217 F C 1.778 177.578 175.800 0.000 0.000 1.027 2217 F CA 0.233 58.193 58.000 -0.066 0.000 1.333 2217 F CB -0.619 38.259 39.000 -0.204 0.000 1.132 2217 F HN -0.071 nan 8.300 nan 0.000 0.590 2218 Y N 0.824 121.246 120.300 0.204 0.000 2.569 2218 Y HA 0.102 4.652 4.550 -0.000 0.000 0.293 2218 Y C 1.505 177.456 175.900 0.084 0.000 1.144 2218 Y CA -0.292 57.886 58.100 0.129 0.000 1.321 2218 Y CB -0.394 38.134 38.460 0.114 0.000 0.982 2218 Y HN -0.047 nan 8.280 nan 0.000 0.558 2219 A N -0.072 122.863 122.820 0.192 0.000 2.498 2219 A HA 0.103 4.423 4.320 -0.000 0.000 0.239 2219 A C 1.099 178.721 177.584 0.062 0.000 1.068 2219 A CA 0.307 52.397 52.037 0.089 0.000 0.766 2219 A CB 0.305 19.297 19.000 -0.012 0.000 1.003 2219 A HN 0.312 nan 8.150 nan 0.000 0.497 2220 S N 0.316 116.038 115.700 0.037 0.000 2.483 2220 S HA 0.207 4.677 4.470 -0.000 0.000 0.221 2220 S C 0.273 174.856 174.600 -0.028 0.000 1.030 2220 S CA 0.348 58.562 58.200 0.023 0.000 0.925 2220 S CB 0.273 63.489 63.200 0.026 0.000 0.795 2220 S HN 0.541 nan 8.310 nan 0.000 0.511 2221 V N 2.492 122.371 119.914 -0.058 0.000 2.623 2221 V HA 0.443 4.563 4.120 -0.000 0.000 0.304 2221 V C -1.050 174.948 176.094 -0.159 0.000 1.054 2221 V CA -0.730 61.506 62.300 -0.106 0.000 0.882 2221 V CB 2.058 33.832 31.823 -0.082 0.000 1.002 2221 V HN 0.157 nan 8.190 nan 0.000 0.424 2222 R N 4.490 124.842 120.500 -0.247 0.000 2.439 2222 R HA 0.628 4.968 4.340 -0.000 0.000 0.310 2222 R C -1.629 174.449 176.300 -0.370 0.000 0.955 2222 R CA -0.882 55.006 56.100 -0.352 0.000 0.853 2222 R CB 2.090 32.101 30.300 -0.482 0.000 1.171 2222 R HN 0.349 nan 8.270 nan 0.000 0.449 2223 L N 2.111 123.116 121.223 -0.363 0.000 2.309 2223 L HA 0.310 4.650 4.340 -0.000 0.000 0.282 2223 L C -0.253 176.442 176.870 -0.291 0.000 1.036 2223 L CA -0.281 54.408 54.840 -0.252 0.000 0.806 2223 L CB 1.431 43.415 42.059 -0.125 0.000 1.220 2223 L HN 0.458 nan 8.230 nan 0.000 0.429 2224 D N 3.752 124.121 120.400 -0.053 0.000 2.461 2224 D HA 0.286 4.926 4.640 -0.000 0.000 0.240 2224 D C -0.776 175.638 176.300 0.191 0.000 1.094 2224 D CA -0.185 53.961 54.000 0.242 0.000 0.868 2224 D CB 0.744 41.749 40.800 0.341 0.000 1.062 2224 D HN 0.400 nan 8.370 nan 0.000 0.530 2225 I N 3.362 124.051 120.570 0.198 0.000 2.385 2225 I HA 0.471 4.641 4.170 -0.000 0.000 0.294 2225 I C -0.580 175.598 176.117 0.102 0.000 0.988 2225 I CA -0.542 60.842 61.300 0.139 0.000 1.265 2225 I CB 0.406 38.483 38.000 0.128 0.000 1.388 2225 I HN 0.219 nan 8.210 nan 0.000 0.480 2226 R N 6.395 126.933 120.500 0.063 0.000 2.725 2226 R HA 0.479 4.819 4.340 -0.000 0.000 0.277 2226 R C -1.109 175.192 176.300 0.001 0.000 0.987 2226 R CA -1.036 55.080 56.100 0.028 0.000 0.901 2226 R CB 1.972 32.288 30.300 0.027 0.000 1.207 2226 R HN 0.564 nan 8.270 nan 0.000 0.463 2227 R N 2.521 123.014 120.500 -0.012 0.000 2.312 2227 R HA 0.254 4.594 4.340 -0.000 0.000 0.311 2227 R C 0.555 176.847 176.300 -0.013 0.000 1.004 2227 R CA -0.169 55.915 56.100 -0.026 0.000 0.902 2227 R CB 0.784 31.070 30.300 -0.025 0.000 1.073 2227 R HN 0.852 nan 8.270 nan 0.000 0.457 2228 I N 0.970 121.531 120.570 -0.015 0.000 3.565 2228 I HA 0.457 4.627 4.170 -0.000 0.000 0.287 2228 I C 0.757 176.874 176.117 0.000 0.000 1.193 2228 I CA 0.272 61.571 61.300 -0.002 0.000 1.402 2228 I CB 0.603 38.606 38.000 0.006 0.000 1.284 2228 I HN 0.621 nan 8.210 nan 0.000 0.454 2229 G N 0.936 109.734 108.800 -0.003 0.000 3.069 2229 G HA2 0.794 4.754 3.960 -0.000 0.000 0.205 2229 G HA3 0.794 4.754 3.960 -0.000 0.000 0.205 2229 G C -0.558 174.344 174.900 0.003 0.000 1.771 2229 G CA -0.015 45.085 45.100 0.001 0.000 0.739 2229 G HN 0.863 nan 8.290 nan 0.000 0.784 2230 A N -2.256 120.565 122.820 0.001 0.000 2.613 2230 A HA 0.468 4.788 4.320 -0.000 0.000 0.303 2230 A C -1.799 175.776 177.584 -0.015 0.000 0.915 2230 A CA -0.272 51.765 52.037 0.000 0.000 0.654 2230 A CB 0.197 19.195 19.000 -0.004 0.000 1.280 2230 A HN 1.386 nan 8.150 nan 0.000 0.407 2231 V N 2.008 121.903 119.914 -0.032 0.000 2.444 2231 V HA 0.539 4.659 4.120 -0.000 0.000 0.294 2231 V C -0.058 175.994 176.094 -0.070 0.000 1.022 2231 V CA -0.531 61.745 62.300 -0.040 0.000 0.850 2231 V CB 1.716 33.524 31.823 -0.026 0.000 0.992 2231 V HN 0.771 nan 8.190 nan 0.000 0.426 2232 K N 3.341 123.707 120.400 -0.056 0.000 2.235 2232 K HA 0.475 4.795 4.320 -0.000 0.000 0.266 2232 K C -0.480 176.086 176.600 -0.056 0.000 0.980 2232 K CA -0.570 55.679 56.287 -0.063 0.000 0.849 2232 K CB 1.742 34.212 32.500 -0.050 0.000 1.098 2232 K HN 0.589 nan 8.250 nan 0.000 0.445 2233 E N 2.416 122.578 120.200 -0.064 0.000 1.993 2233 E HA 0.116 4.466 4.350 -0.000 0.000 0.271 2233 E C 0.705 177.278 176.600 -0.046 0.000 1.008 2233 E CA -0.040 56.328 56.400 -0.052 0.000 0.814 2233 E CB 1.225 30.893 29.700 -0.054 0.000 1.098 2233 E HN 0.957 nan 8.360 nan 0.000 0.407 2234 G N 4.237 113.013 108.800 -0.040 0.000 5.206 2234 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.328 2234 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.328 2234 G C 0.437 175.316 174.900 -0.035 0.000 1.382 2234 G CA 0.462 45.541 45.100 -0.035 0.000 0.994 2234 G HN 0.501 nan 8.290 nan 0.000 0.800 2235 E N 1.623 121.801 120.200 -0.037 0.000 2.934 2235 E HA 0.344 4.694 4.350 -0.000 0.000 0.343 2235 E C -1.300 175.273 176.600 -0.044 0.000 1.148 2235 E CA -0.191 56.187 56.400 -0.037 0.000 0.803 2235 E CB -0.357 29.326 29.700 -0.028 0.000 1.541 2235 E HN 0.570 nan 8.360 nan 0.000 0.380 2236 N N 1.518 120.183 118.700 -0.059 0.000 2.777 2236 N HA 0.062 4.802 4.740 -0.000 0.000 0.260 2236 N C -0.815 174.624 175.510 -0.119 0.000 1.113 2236 N CA -0.271 52.732 53.050 -0.077 0.000 0.996 2236 N CB 1.874 40.318 38.487 -0.072 0.000 1.584 2236 N HN -0.082 nan 8.380 nan 0.000 0.573 2237 V N 3.363 123.195 119.914 -0.136 0.000 2.415 2237 V HA 0.002 4.122 4.120 -0.000 0.000 0.252 2237 V C 1.043 176.883 176.094 -0.422 0.000 1.043 2237 V CA 0.386 62.565 62.300 -0.202 0.000 1.149 2237 V CB 0.458 32.199 31.823 -0.136 0.000 1.143 2237 V HN 0.531 nan 8.190 nan 0.000 0.478 2238 V N 4.011 123.675 119.914 -0.417 0.000 3.380 2238 V HA 0.632 4.752 4.120 -0.000 0.000 0.307 2238 V C 0.845 176.611 176.094 -0.548 0.000 1.434 2238 V CA 0.912 62.860 62.300 -0.587 0.000 1.075 2238 V CB 0.389 32.053 31.823 -0.265 0.000 0.954 2238 V HN 0.866 nan 8.190 nan 0.000 0.444 2239 G N -0.859 107.737 108.800 -0.339 0.000 2.703 2239 G HA2 0.516 4.476 3.960 -0.000 0.000 0.294 2239 G HA3 0.516 4.476 3.960 -0.000 0.000 0.294 2239 G C -1.340 173.635 174.900 0.126 0.000 1.451 2239 G CA -0.315 44.806 45.100 0.035 0.000 0.869 2239 G HN 0.029 nan 8.290 nan 0.000 0.516 2240 S N 0.079 115.889 115.700 0.183 0.000 2.456 2240 S HA 0.425 4.895 4.470 -0.000 0.000 0.316 2240 S C -0.357 174.233 174.600 -0.017 0.000 1.089 2240 S CA -0.506 57.743 58.200 0.083 0.000 1.101 2240 S CB 1.752 64.997 63.200 0.075 0.000 0.995 2240 S HN 0.650 nan 8.310 nan 0.000 0.468 2241 E N 2.957 123.138 120.200 -0.032 0.000 2.129 2241 E HA 0.284 4.634 4.350 -0.000 0.000 0.283 2241 E C 0.113 176.645 176.600 -0.113 0.000 1.080 2241 E CA -0.203 56.154 56.400 -0.072 0.000 0.867 2241 E CB 0.334 30.016 29.700 -0.029 0.000 1.056 2241 E HN 0.627 nan 8.360 nan 0.000 0.404 2242 T N 2.148 116.556 114.554 -0.244 0.000 2.948 2242 T HA 0.577 4.927 4.350 -0.000 0.000 0.285 2242 T C -0.243 174.363 174.700 -0.158 0.000 1.019 2242 T CA -1.133 60.811 62.100 -0.259 0.000 1.013 2242 T CB 1.449 70.047 68.868 -0.448 0.000 1.117 2242 T HN 0.444 nan 8.240 nan 0.000 0.533 2243 R N 0.620 121.107 120.500 -0.022 0.000 2.515 2243 R HA 0.587 4.927 4.340 -0.000 0.000 0.291 2243 R C -2.230 174.162 176.300 0.154 0.000 1.046 2243 R CA -0.638 55.522 56.100 0.100 0.000 0.914 2243 R CB 1.726 32.069 30.300 0.073 0.000 1.191 2243 R HN 0.565 nan 8.270 nan 0.000 0.435 2244 V N 4.762 124.817 119.914 0.234 0.000 2.417 2244 V HA 0.397 4.517 4.120 -0.000 0.000 0.291 2244 V C -0.325 175.835 176.094 0.110 0.000 1.024 2244 V CA -0.628 61.782 62.300 0.184 0.000 0.861 2244 V CB 1.730 33.689 31.823 0.226 0.000 0.985 2244 V HN 0.657 nan 8.190 nan 0.000 0.436 2245 K N 3.766 124.215 120.400 0.081 0.000 2.358 2245 K HA 0.570 4.890 4.320 -0.000 0.000 0.260 2245 K C -1.061 175.529 176.600 -0.015 0.000 0.956 2245 K CA -0.590 55.730 56.287 0.054 0.000 0.834 2245 K CB 1.870 34.422 32.500 0.086 0.000 1.102 2245 K HN 0.487 nan 8.250 nan 0.000 0.431 2246 V N 6.195 126.078 119.914 -0.052 0.000 2.338 2246 V HA 0.005 4.125 4.120 -0.000 0.000 0.255 2246 V C 1.185 177.131 176.094 -0.247 0.000 1.082 2246 V CA -0.234 61.986 62.300 -0.134 0.000 0.951 2246 V CB 0.378 32.135 31.823 -0.109 0.000 1.102 2246 V HN 0.704 nan 8.190 nan 0.000 0.489 2247 V N 1.545 121.285 119.914 -0.290 0.000 3.052 2247 V HA 0.239 4.359 4.120 -0.000 0.000 0.254 2247 V C 0.837 176.583 176.094 -0.579 0.000 1.100 2247 V CA 0.618 62.664 62.300 -0.423 0.000 1.112 2247 V CB -0.366 31.355 31.823 -0.169 0.000 0.738 2247 V HN 0.662 nan 8.190 nan 0.000 0.469 2248 K N 1.602 121.726 120.400 -0.459 0.000 2.426 2248 K HA 0.482 4.802 4.320 -0.000 0.000 0.254 2248 K C -1.449 175.001 176.600 -0.251 0.000 0.936 2248 K CA -0.482 55.563 56.287 -0.402 0.000 0.801 2248 K CB 1.349 33.492 32.500 -0.595 0.000 1.139 2248 K HN 0.256 nan 8.250 nan 0.000 0.424 2249 N N 3.820 122.429 118.700 -0.152 0.000 2.653 2249 N HA 0.157 4.897 4.740 -0.000 0.000 0.261 2249 N C -1.389 174.119 175.510 -0.003 0.000 1.216 2249 N CA -0.372 52.631 53.050 -0.077 0.000 0.784 2249 N CB 0.997 39.440 38.487 -0.074 0.000 1.327 2249 N HN 0.520 nan 8.380 nan 0.000 0.539 2250 K N 2.944 123.349 120.400 0.009 0.000 2.994 2250 K HA 0.276 4.596 4.320 -0.000 0.000 0.231 2250 K C 0.272 176.892 176.600 0.032 0.000 1.174 2250 K CA -0.033 56.280 56.287 0.043 0.000 1.221 2250 K CB 0.396 32.934 32.500 0.064 0.000 1.166 2250 K HN 0.426 nan 8.250 nan 0.000 0.453 2251 I N -0.890 119.691 120.570 0.019 0.000 4.607 2251 I HA 0.171 4.341 4.170 -0.000 0.000 0.324 2251 I C 0.200 176.328 176.117 0.018 0.000 1.279 2251 I CA 0.111 61.420 61.300 0.015 0.000 1.286 2251 I CB 1.037 39.037 38.000 -0.001 0.000 1.265 2251 I HN 0.146 nan 8.210 nan 0.000 0.446 2252 A N -0.087 122.745 122.820 0.021 0.000 5.450 2252 A HA 0.829 5.149 4.320 -0.000 0.000 0.198 2252 A C -0.935 176.675 177.584 0.043 0.000 0.883 2252 A CA 0.010 52.064 52.037 0.028 0.000 0.784 2252 A CB -0.573 18.437 19.000 0.016 0.000 2.043 2252 A HN 0.095 nan 8.150 nan 0.000 0.994 2253 A N 1.463 124.310 122.820 0.045 0.000 2.451 2253 A HA 0.614 4.934 4.320 -0.000 0.000 0.266 2253 A C -2.518 175.111 177.584 0.074 0.000 1.119 2253 A CA -0.902 51.178 52.037 0.071 0.000 0.786 2253 A CB -0.720 18.319 19.000 0.064 0.000 1.061 2253 A HN 0.352 nan 8.150 nan 0.000 0.503 2254 P HA 0.647 nan 4.420 nan 0.000 0.285 2254 P C -0.047 177.402 177.300 0.250 0.000 1.269 2254 P CA -0.439 62.702 63.100 0.069 0.000 0.844 2254 P CB 0.350 32.085 31.700 0.057 0.000 1.094 2255 F N -3.204 116.772 119.950 0.044 0.000 2.397 2255 F HA -0.207 4.320 4.527 0.000 0.000 0.438 2255 F C 0.673 176.492 175.800 0.032 0.000 0.555 2255 F CA 0.730 58.757 58.000 0.045 0.000 1.561 2255 F CB -1.625 37.402 39.000 0.044 0.000 2.188 2255 F HN 0.227 nan 8.300 nan 0.000 0.267 2256 K N 2.089 122.573 120.400 0.141 0.000 2.258 2256 K HA 0.414 4.734 4.320 -0.000 0.000 0.264 2256 K C 0.383 177.019 176.600 0.060 0.000 1.007 2256 K CA -0.049 56.292 56.287 0.090 0.000 0.941 2256 K CB 0.848 33.384 32.500 0.060 0.000 0.966 2256 K HN 0.429 nan 8.250 nan 0.000 0.480 2257 Q N -0.213 119.623 119.800 0.060 0.000 2.484 2257 Q HA 0.768 5.108 4.340 -0.000 0.000 0.285 2257 Q C -1.724 174.308 176.000 0.053 0.000 1.097 2257 Q CA -1.298 54.541 55.803 0.060 0.000 0.802 2257 Q CB 2.206 30.993 28.738 0.081 0.000 1.444 2257 Q HN 0.538 nan 8.270 nan 0.000 0.429 2258 A N 1.300 124.164 122.820 0.072 0.000 2.465 2258 A HA 0.525 4.845 4.320 -0.000 0.000 0.292 2258 A C -1.514 176.186 177.584 0.194 0.000 1.041 2258 A CA -0.697 51.386 52.037 0.077 0.000 0.718 2258 A CB 1.687 20.680 19.000 -0.011 0.000 1.266 2258 A HN 0.734 nan 8.150 nan 0.000 0.403 2259 E N 1.064 121.390 120.200 0.210 0.000 2.183 2259 E HA 0.764 5.114 4.350 -0.000 0.000 0.271 2259 E C -0.950 175.885 176.600 0.391 0.000 0.919 2259 E CA -0.471 56.094 56.400 0.275 0.000 0.781 2259 E CB 2.043 31.828 29.700 0.142 0.000 1.140 2259 E HN 0.678 nan 8.360 nan 0.000 0.402 2260 F N -1.350 118.618 119.950 0.029 0.000 2.817 2260 F HA 0.405 4.932 4.527 -0.000 0.000 0.317 2260 F C -1.232 174.596 175.800 0.047 0.000 1.168 2260 F CA -1.307 56.712 58.000 0.031 0.000 0.911 2260 F CB 1.188 40.196 39.000 0.014 0.000 1.337 2260 F HN 0.160 nan 8.300 nan 0.000 0.464 2261 Q N 1.651 121.474 119.800 0.038 0.000 2.230 2261 Q HA 0.649 4.989 4.340 -0.000 0.000 0.253 2261 Q C -1.195 174.784 176.000 -0.035 0.000 0.919 2261 Q CA -0.853 54.926 55.803 -0.040 0.000 0.908 2261 Q CB 2.811 31.584 28.738 0.059 0.000 1.245 2261 Q HN 0.568 nan 8.270 nan 0.000 0.437 2262 I N 2.983 123.519 120.570 -0.056 0.000 2.389 2262 I HA 0.278 4.448 4.170 -0.000 0.000 0.288 2262 I C -1.072 175.137 176.117 0.155 0.000 0.999 2262 I CA -0.772 60.560 61.300 0.053 0.000 1.129 2262 I CB 1.265 39.268 38.000 0.005 0.000 1.288 2262 I HN 0.289 nan 8.210 nan 0.000 0.444 2263 L N 6.881 128.223 121.223 0.200 0.000 2.313 2263 L HA 0.387 4.727 4.340 -0.000 0.000 0.283 2263 L C -0.566 176.527 176.870 0.372 0.000 1.013 2263 L CA -0.241 54.754 54.840 0.259 0.000 0.816 2263 L CB 0.905 43.059 42.059 0.160 0.000 1.236 2263 L HN 0.316 nan 8.230 nan 0.000 0.419 2264 Y N 3.625 123.996 120.300 0.117 0.000 2.852 2264 Y HA 0.141 4.691 4.550 -0.000 0.000 0.343 2264 Y C 1.594 177.605 175.900 0.184 0.000 1.280 2264 Y CA 0.589 58.789 58.100 0.167 0.000 1.604 2264 Y CB 0.177 38.688 38.460 0.085 0.000 1.216 2264 Y HN 0.887 nan 8.280 nan 0.000 0.541 2265 G N 2.695 111.753 108.800 0.430 0.000 2.143 2265 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 2265 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 2265 G C 0.402 175.313 174.900 0.018 0.000 0.991 2265 G CA 0.562 45.776 45.100 0.190 0.000 0.689 2265 G HN 0.733 nan 8.290 nan 0.000 0.522 2266 E N -1.785 118.419 120.200 0.007 0.000 2.652 2266 E HA 0.411 4.761 4.350 -0.000 0.000 0.197 2266 E C 1.352 177.931 176.600 -0.034 0.000 0.936 2266 E CA 0.952 57.339 56.400 -0.021 0.000 1.638 2266 E CB 0.468 30.195 29.700 0.046 0.000 1.884 2266 E HN 1.759 nan 8.360 nan 0.000 1.005 2267 G N 1.484 110.303 108.800 0.031 0.000 2.545 2267 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 2267 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 2267 G C -0.221 174.773 174.900 0.157 0.000 1.314 2267 G CA -0.324 44.825 45.100 0.082 0.000 0.906 2267 G HN 0.175 nan 8.290 nan 0.000 0.563 2268 I N 1.159 121.845 120.570 0.193 0.000 2.919 2268 I HA -0.060 4.110 4.170 -0.000 0.000 0.303 2268 I C 0.730 177.000 176.117 0.256 0.000 1.221 2268 I CA 0.262 61.730 61.300 0.278 0.000 1.444 2268 I CB 0.289 38.467 38.000 0.297 0.000 1.331 2268 I HN 0.471 nan 8.210 nan 0.000 0.572 2269 N N 6.470 125.339 118.700 0.282 0.000 2.868 2269 N HA 0.076 4.816 4.740 -0.000 0.000 0.252 2269 N C 0.616 176.299 175.510 0.288 0.000 1.130 2269 N CA -0.042 53.169 53.050 0.269 0.000 1.026 2269 N CB -0.075 38.544 38.487 0.219 0.000 1.335 2269 N HN 0.496 nan 8.380 nan 0.000 0.516 2270 F N 2.149 122.164 119.950 0.109 0.000 2.063 2270 F HA -0.362 4.165 4.527 -0.000 0.000 0.298 2270 F C 0.972 176.741 175.800 -0.052 0.000 1.105 2270 F CA 1.843 59.818 58.000 -0.043 0.000 1.215 2270 F CB -0.027 38.845 39.000 -0.213 0.000 0.972 2270 F HN 0.503 nan 8.300 nan 0.000 0.483 2271 Y N -0.316 120.213 120.300 0.382 0.000 2.314 2271 Y HA -0.027 4.523 4.550 -0.000 0.000 0.293 2271 Y C 2.609 178.609 175.900 0.167 0.000 1.129 2271 Y CA 0.898 59.155 58.100 0.261 0.000 1.201 2271 Y CB -1.228 37.326 38.460 0.155 0.000 0.999 2271 Y HN 0.120 nan 8.280 nan 0.000 0.541 2272 G N 0.701 109.681 108.800 0.302 0.000 2.446 2272 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 2272 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 2272 G C 1.379 176.372 174.900 0.154 0.000 1.168 2272 G CA 1.330 46.546 45.100 0.193 0.000 0.771 2272 G HN 0.603 nan 8.290 nan 0.000 0.551 2273 E N -0.110 120.171 120.200 0.135 0.000 2.216 2273 E HA 0.085 4.435 4.350 -0.000 0.000 0.192 2273 E C 2.295 178.932 176.600 0.062 0.000 0.988 2273 E CA 0.257 56.708 56.400 0.085 0.000 0.834 2273 E CB -0.260 29.462 29.700 0.036 0.000 0.772 2273 E HN 0.337 nan 8.360 nan 0.000 0.479 2274 L N 1.211 122.481 121.223 0.077 0.000 2.046 2274 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 2274 L C 2.271 179.222 176.870 0.135 0.000 1.077 2274 L CA 1.149 56.040 54.840 0.086 0.000 0.747 2274 L CB -0.164 41.981 42.059 0.144 0.000 0.896 2274 L HN 0.050 nan 8.230 nan 0.000 0.432 2275 V N -0.398 119.621 119.914 0.174 0.000 2.233 2275 V HA -0.334 3.785 4.120 -0.000 0.000 0.247 2275 V C 2.285 178.499 176.094 0.199 0.000 1.050 2275 V CA 2.093 64.513 62.300 0.200 0.000 1.010 2275 V CB -0.759 31.171 31.823 0.178 0.000 0.637 2275 V HN 0.448 nan 8.190 nan 0.000 0.444 2276 D N -0.203 120.297 120.400 0.167 0.000 2.149 2276 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 2276 D C 1.985 178.353 176.300 0.113 0.000 1.001 2276 D CA 1.276 55.366 54.000 0.149 0.000 0.849 2276 D CB -0.191 40.680 40.800 0.119 0.000 0.939 2276 D HN 0.220 nan 8.370 nan 0.000 0.449 2277 L N 0.455 121.731 121.223 0.090 0.000 2.046 2277 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 2277 L C 2.542 179.459 176.870 0.078 0.000 1.077 2277 L CA 1.668 56.546 54.840 0.063 0.000 0.747 2277 L CB -1.216 40.863 42.059 0.033 0.000 0.896 2277 L HN 0.055 nan 8.230 nan 0.000 0.432 2278 G N -1.889 106.976 108.800 0.108 0.000 2.598 2278 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.215 2278 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.215 2278 G C 1.505 176.472 174.900 0.113 0.000 1.131 2278 G CA 0.793 45.967 45.100 0.123 0.000 0.785 2278 G HN 0.287 nan 8.290 nan 0.000 0.539 2279 V N 0.040 120.017 119.914 0.105 0.000 2.446 2279 V HA 0.058 4.178 4.120 -0.000 0.000 0.244 2279 V C 2.480 178.598 176.094 0.041 0.000 1.039 2279 V CA 1.424 63.761 62.300 0.062 0.000 1.045 2279 V CB -0.078 31.785 31.823 0.067 0.000 0.681 2279 V HN 0.259 nan 8.190 nan 0.000 0.459 2280 K N -0.304 120.126 120.400 0.051 0.000 2.418 2280 K HA -0.018 4.302 4.320 -0.000 0.000 0.195 2280 K C 1.127 177.748 176.600 0.034 0.000 1.035 2280 K CA 0.554 56.864 56.287 0.038 0.000 1.003 2280 K CB 0.270 32.794 32.500 0.040 0.000 0.793 2280 K HN 0.295 nan 8.250 nan 0.000 0.494 2281 E N 0.504 120.730 120.200 0.044 0.000 2.558 2281 E HA 0.050 4.400 4.350 -0.000 0.000 0.205 2281 E C -0.358 176.269 176.600 0.045 0.000 1.006 2281 E CA -0.014 56.411 56.400 0.041 0.000 0.961 2281 E CB 0.752 30.478 29.700 0.044 0.000 1.044 2281 E HN 0.086 nan 8.360 nan 0.000 0.465 2282 K N -0.338 120.087 120.400 0.041 0.000 3.349 2282 K HA -0.209 4.111 4.320 -0.000 0.000 0.310 2282 K C 1.070 177.697 176.600 0.045 0.000 1.267 2282 K CA 0.522 56.827 56.287 0.031 0.000 0.920 2282 K CB -2.144 30.366 32.500 0.016 0.000 1.240 2282 K HN 0.221 nan 8.250 nan 0.000 0.453 2283 L N -0.051 121.224 121.223 0.086 0.000 2.179 2283 L HA 0.124 4.464 4.340 -0.000 0.000 0.208 2283 L C 1.147 178.132 176.870 0.192 0.000 1.096 2283 L CA 0.946 55.871 54.840 0.142 0.000 0.779 2283 L CB 0.086 42.265 42.059 0.200 0.000 0.922 2283 L HN 0.140 nan 8.230 nan 0.000 0.443 2284 I N -1.049 119.619 120.570 0.164 0.000 2.509 2284 I HA 0.247 4.417 4.170 -0.000 0.000 0.293 2284 I C -0.589 175.550 176.117 0.037 0.000 1.020 2284 I CA -0.497 60.902 61.300 0.164 0.000 1.088 2284 I CB 2.005 40.139 38.000 0.224 0.000 1.267 2284 I HN -0.101 nan 8.210 nan 0.000 0.430 2285 E N 4.933 125.127 120.200 -0.009 0.000 2.133 2285 E HA 0.289 4.639 4.350 -0.000 0.000 0.274 2285 E C -0.796 175.707 176.600 -0.163 0.000 0.930 2285 E CA -0.834 55.524 56.400 -0.070 0.000 0.770 2285 E CB 1.815 31.487 29.700 -0.047 0.000 1.104 2285 E HN 0.307 nan 8.360 nan 0.000 0.403 2286 K N 2.220 122.492 120.400 -0.213 0.000 2.273 2286 K HA 0.307 4.627 4.320 -0.000 0.000 0.287 2286 K C -0.518 176.010 176.600 -0.119 0.000 1.089 2286 K CA -0.212 55.895 56.287 -0.299 0.000 0.909 2286 K CB 0.511 32.833 32.500 -0.297 0.000 1.123 2286 K HN 0.573 nan 8.250 nan 0.000 0.473 2287 A N 4.172 126.968 122.820 -0.040 0.000 3.258 2287 A HA 0.365 4.685 4.320 -0.000 0.000 0.275 2287 A C 1.035 178.683 177.584 0.107 0.000 1.452 2287 A CA 0.255 52.319 52.037 0.044 0.000 1.120 2287 A CB -0.618 18.422 19.000 0.068 0.000 1.107 2287 A HN 1.100 nan 8.150 nan 0.000 0.651 2288 G N 0.300 109.129 108.800 0.048 0.000 5.155 2288 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.239 2288 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.239 2288 G C 1.337 176.283 174.900 0.077 0.000 1.409 2288 G CA 0.812 45.951 45.100 0.065 0.000 0.927 2288 G HN 1.759 nan 8.290 nan 0.000 0.710 2289 A N -1.058 121.837 122.820 0.125 0.000 2.358 2289 A HA 0.575 4.895 4.320 -0.000 0.000 0.223 2289 A C 0.523 178.147 177.584 0.066 0.000 1.218 2289 A CA 0.498 52.575 52.037 0.066 0.000 0.942 2289 A CB 0.198 19.175 19.000 -0.039 0.000 1.005 2289 A HN 0.558 nan 8.150 nan 0.000 0.514 2290 W N -1.062 120.290 121.300 0.086 0.000 2.376 2290 W HA 0.579 5.239 4.660 -0.000 0.000 0.322 2290 W C -0.781 175.780 176.519 0.070 0.000 1.160 2290 W CA -0.001 57.408 57.345 0.107 0.000 1.218 2290 W CB 0.548 30.023 29.460 0.026 0.000 1.205 2290 W HN 0.174 nan 8.180 nan 0.000 0.559 2291 Y N 2.242 122.668 120.300 0.209 0.000 2.388 2291 Y HA 0.388 4.938 4.550 0.000 0.000 0.328 2291 Y C 0.063 176.010 175.900 0.077 0.000 0.963 2291 Y CA -0.740 57.423 58.100 0.104 0.000 1.240 2291 Y CB 1.130 39.611 38.460 0.034 0.000 1.118 2291 Y HN 0.134 nan 8.280 nan 0.000 0.484 2292 S N 2.941 118.711 115.700 0.117 0.000 2.472 2292 S HA 0.287 4.757 4.470 -0.000 0.000 0.303 2292 S C -1.406 173.259 174.600 0.109 0.000 1.099 2292 S CA -0.692 57.551 58.200 0.071 0.000 1.077 2292 S CB 0.955 64.163 63.200 0.014 0.000 1.031 2292 S HN 0.500 nan 8.310 nan 0.000 0.487 2293 Y N 3.244 123.522 120.300 -0.036 0.000 2.944 2293 Y HA 0.377 4.927 4.550 0.000 0.000 0.335 2293 Y C -0.248 175.659 175.900 0.012 0.000 1.075 2293 Y CA -0.818 57.285 58.100 0.005 0.000 1.240 2293 Y CB -0.417 38.062 38.460 0.031 0.000 1.167 2293 Y HN 0.781 nan 8.280 nan 0.000 0.555 2294 K N 4.018 124.226 120.400 -0.321 0.000 5.617 2294 K HA -0.225 4.095 4.320 -0.000 0.000 0.401 2294 K C 1.066 177.566 176.600 -0.167 0.000 0.978 2294 K CA 1.063 57.172 56.287 -0.298 0.000 1.200 2294 K CB -1.134 31.096 32.500 -0.449 0.000 1.863 2294 K HN 1.164 nan 8.250 nan 0.000 0.382 2295 G N 1.445 110.184 108.800 -0.101 0.000 3.444 2295 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.222 2295 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.222 2295 G C -0.043 174.829 174.900 -0.046 0.000 1.358 2295 G CA 0.320 45.380 45.100 -0.066 0.000 0.880 2295 G HN 0.548 nan 8.290 nan 0.000 0.555 2296 E N 2.241 122.429 120.200 -0.019 0.000 2.417 2296 E HA 0.247 4.597 4.350 -0.000 0.000 0.261 2296 E C 0.054 176.639 176.600 -0.026 0.000 1.000 2296 E CA 0.385 56.789 56.400 0.006 0.000 0.919 2296 E CB 0.392 30.143 29.700 0.085 0.000 0.955 2296 E HN 0.450 nan 8.360 nan 0.000 0.455 2297 K N 3.823 124.197 120.400 -0.043 0.000 2.253 2297 K HA 0.200 4.520 4.320 -0.000 0.000 0.277 2297 K C 1.053 177.581 176.600 -0.119 0.000 1.053 2297 K CA -0.109 56.166 56.287 -0.020 0.000 0.892 2297 K CB 0.621 33.124 32.500 0.005 0.000 1.102 2297 K HN 0.506 nan 8.250 nan 0.000 0.469 2298 I N -1.555 118.871 120.570 -0.240 0.000 4.057 2298 I HA 0.333 4.503 4.170 -0.000 0.000 0.334 2298 I C 0.500 176.326 176.117 -0.485 0.000 1.308 2298 I CA -0.295 60.555 61.300 -0.751 0.000 1.125 2298 I CB 0.922 38.131 38.000 -1.319 0.000 1.034 2298 I HN 0.526 nan 8.210 nan 0.000 0.401 2299 G N 0.983 109.723 108.800 -0.100 0.000 2.387 2299 G HA2 0.381 4.341 3.960 -0.000 0.000 0.294 2299 G HA3 0.381 4.341 3.960 -0.000 0.000 0.294 2299 G C -2.198 172.659 174.900 -0.072 0.000 1.509 2299 G CA -0.614 44.440 45.100 -0.077 0.000 0.806 2299 G HN 0.219 nan 8.290 nan 0.000 0.546 2300 Q N -0.026 119.612 119.800 -0.270 0.000 2.274 2300 Q HA 0.553 4.893 4.340 -0.000 0.000 0.268 2300 Q C -0.037 175.768 176.000 -0.324 0.000 1.015 2300 Q CA 0.143 55.654 55.803 -0.486 0.000 0.775 2300 Q CB 1.595 29.774 28.738 -0.931 0.000 1.256 2300 Q HN 2.465 nan 8.270 nan 0.000 0.442 2301 G N 3.548 112.208 108.800 -0.234 0.000 3.285 2301 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.685 2301 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.685 2301 G C 0.223 174.936 174.900 -0.313 0.000 0.938 2301 G CA 0.135 45.120 45.100 -0.192 0.000 0.778 2301 G HN 0.846 nan 8.290 nan 0.000 0.515 2302 K N 1.706 121.907 120.400 -0.332 0.000 2.117 2302 K HA -0.267 4.053 4.320 -0.000 0.000 0.215 2302 K C 2.903 179.319 176.600 -0.306 0.000 1.053 2302 K CA 3.054 59.071 56.287 -0.450 0.000 0.935 2302 K CB -0.332 32.067 32.500 -0.169 0.000 0.719 2302 K HN 1.348 nan 8.250 nan 0.000 0.460 2303 A N 1.653 124.367 122.820 -0.178 0.000 1.842 2303 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 2303 A C 1.855 179.375 177.584 -0.106 0.000 1.206 2303 A CA 2.155 54.126 52.037 -0.110 0.000 0.630 2303 A CB -0.981 17.970 19.000 -0.081 0.000 0.839 2303 A HN 0.496 nan 8.150 nan 0.000 0.447 2304 N N 0.103 118.731 118.700 -0.121 0.000 2.348 2304 N HA -0.102 4.638 4.740 -0.000 0.000 0.185 2304 N C 1.688 177.168 175.510 -0.050 0.000 1.019 2304 N CA 1.388 54.391 53.050 -0.079 0.000 0.880 2304 N CB -0.458 37.970 38.487 -0.098 0.000 0.965 2304 N HN 0.547 nan 8.380 nan 0.000 0.437 2305 A N 0.206 122.940 122.820 -0.143 0.000 1.878 2305 A HA -0.020 4.300 4.320 -0.000 0.000 0.213 2305 A C 2.335 179.939 177.584 0.033 0.000 1.192 2305 A CA 1.427 53.405 52.037 -0.099 0.000 0.619 2305 A CB -0.923 17.860 19.000 -0.362 0.000 0.837 2305 A HN 0.219 nan 8.150 nan 0.000 0.446 2306 T N 1.031 115.565 114.554 -0.034 0.000 2.565 2306 T HA -0.201 4.149 4.350 -0.000 0.000 0.265 2306 T C 1.831 176.567 174.700 0.059 0.000 1.082 2306 T CA 2.059 64.187 62.100 0.047 0.000 1.173 2306 T CB -0.615 68.266 68.868 0.023 0.000 0.864 2306 T HN 0.616 nan 8.240 nan 0.000 0.425 2307 A N -0.830 121.998 122.820 0.014 0.000 2.236 2307 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 2307 A C 1.511 179.104 177.584 0.016 0.000 1.287 2307 A CA 0.225 52.237 52.037 -0.041 0.000 0.909 2307 A CB -1.048 17.924 19.000 -0.047 0.000 0.839 2307 A HN 0.773 nan 8.150 nan 0.000 0.486 2308 W N -0.768 120.474 121.300 -0.096 0.000 2.735 2308 W HA 0.178 4.838 4.660 0.000 0.000 0.264 2308 W C 1.267 177.743 176.519 -0.072 0.000 1.233 2308 W CA 0.497 57.802 57.345 -0.067 0.000 1.408 2308 W CB 0.154 29.601 29.460 -0.021 0.000 1.038 2308 W HN 0.222 nan 8.180 nan 0.000 0.603 2309 L N 1.006 122.298 121.223 0.114 0.000 2.201 2309 L HA -0.121 4.219 4.340 -0.000 0.000 0.212 2309 L C 2.318 179.017 176.870 -0.285 0.000 1.105 2309 L CA 1.218 56.066 54.840 0.012 0.000 0.775 2309 L CB -0.841 41.427 42.059 0.348 0.000 0.913 2309 L HN -0.075 nan 8.230 nan 0.000 0.440 2310 K N 0.219 120.277 120.400 -0.571 0.000 2.362 2310 K HA -0.185 4.135 4.320 -0.000 0.000 0.200 2310 K C 1.294 177.629 176.600 -0.441 0.000 1.046 2310 K CA 1.159 56.972 56.287 -0.790 0.000 0.952 2310 K CB 0.156 32.249 32.500 -0.677 0.000 0.753 2310 K HN 0.195 nan 8.250 nan 0.000 0.466 2311 D N 0.230 120.375 120.400 -0.424 0.000 2.277 2311 D HA -0.018 4.622 4.640 -0.000 0.000 0.209 2311 D C -0.305 175.747 176.300 -0.413 0.000 0.970 2311 D CA 0.545 54.308 54.000 -0.394 0.000 0.874 2311 D CB 0.353 40.897 40.800 -0.427 0.000 0.982 2311 D HN 0.267 nan 8.370 nan 0.000 0.504 2312 N N -0.146 118.236 118.700 -0.530 0.000 2.664 2312 N HA 0.201 4.941 4.740 -0.000 0.000 0.257 2312 N C -2.535 172.816 175.510 -0.265 0.000 1.108 2312 N CA -1.299 51.516 53.050 -0.392 0.000 0.822 2312 N CB 2.071 40.294 38.487 -0.441 0.000 1.199 2312 N HN -0.161 nan 8.380 nan 0.000 0.529 2313 P HA -0.070 nan 4.420 nan 0.000 0.236 2313 P C 1.018 178.281 177.300 -0.061 0.000 1.172 2313 P CA 0.679 63.747 63.100 -0.053 0.000 0.759 2313 P CB 0.361 32.039 31.700 -0.036 0.000 0.843 2314 E N -0.267 119.881 120.200 -0.086 0.000 2.017 2314 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 2314 E C 1.644 178.220 176.600 -0.040 0.000 0.997 2314 E CA 1.731 58.098 56.400 -0.055 0.000 0.804 2314 E CB -1.136 28.533 29.700 -0.052 0.000 0.757 2314 E HN 0.282 nan 8.360 nan 0.000 0.448 2315 T N 1.309 115.825 114.554 -0.065 0.000 2.995 2315 T HA 0.060 4.410 4.350 -0.000 0.000 0.269 2315 T C 1.916 176.579 174.700 -0.062 0.000 1.091 2315 T CA 0.861 62.919 62.100 -0.070 0.000 1.128 2315 T CB -0.056 68.740 68.868 -0.120 0.000 0.891 2315 T HN 0.213 nan 8.240 nan 0.000 0.492 2316 A N 2.724 125.526 122.820 -0.029 0.000 1.835 2316 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 2316 A C 2.226 179.818 177.584 0.014 0.000 1.199 2316 A CA 1.362 53.416 52.037 0.028 0.000 0.615 2316 A CB -0.535 18.518 19.000 0.089 0.000 0.838 2316 A HN 0.409 nan 8.150 nan 0.000 0.444 2317 K N -0.419 119.974 120.400 -0.012 0.000 2.362 2317 K HA -0.188 4.132 4.320 -0.000 0.000 0.202 2317 K C 1.960 178.571 176.600 0.018 0.000 1.045 2317 K CA 1.426 57.706 56.287 -0.010 0.000 0.936 2317 K CB -0.070 32.411 32.500 -0.031 0.000 0.747 2317 K HN 0.721 nan 8.250 nan 0.000 0.467 2318 E N 0.911 121.125 120.200 0.023 0.000 2.033 2318 E HA -0.087 4.263 4.350 -0.000 0.000 0.189 2318 E C 1.906 178.544 176.600 0.063 0.000 0.979 2318 E CA 0.597 57.025 56.400 0.046 0.000 0.802 2318 E CB 0.125 29.861 29.700 0.059 0.000 0.763 2318 E HN 0.207 nan 8.360 nan 0.000 0.449 2319 I N 1.199 121.805 120.570 0.060 0.000 2.353 2319 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 2319 I C 2.570 178.734 176.117 0.079 0.000 1.119 2319 I CA 0.825 62.175 61.300 0.084 0.000 1.417 2319 I CB -0.328 37.719 38.000 0.079 0.000 1.078 2319 I HN 0.243 nan 8.210 nan 0.000 0.421 2320 E N 1.770 122.017 120.200 0.078 0.000 2.068 2320 E HA -0.358 3.992 4.350 -0.000 0.000 0.207 2320 E C 2.178 178.815 176.600 0.063 0.000 1.032 2320 E CA 2.082 58.538 56.400 0.092 0.000 0.839 2320 E CB -0.023 29.753 29.700 0.127 0.000 0.758 2320 E HN 0.345 nan 8.360 nan 0.000 0.457 2321 K N 0.265 120.699 120.400 0.056 0.000 2.057 2321 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 2321 K C 2.165 178.790 176.600 0.042 0.000 1.050 2321 K CA 1.391 57.704 56.287 0.043 0.000 0.935 2321 K CB 0.073 32.596 32.500 0.039 0.000 0.715 2321 K HN -0.009 nan 8.250 nan 0.000 0.439 2322 K N 0.061 120.494 120.400 0.054 0.000 2.360 2322 K HA -0.096 4.224 4.320 -0.000 0.000 0.201 2322 K C 1.704 178.333 176.600 0.049 0.000 1.046 2322 K CA 0.918 57.239 56.287 0.056 0.000 0.945 2322 K CB 0.191 32.738 32.500 0.079 0.000 0.750 2322 K HN 0.038 nan 8.250 nan 0.000 0.464 2323 V N 0.564 120.504 119.914 0.044 0.000 2.599 2323 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 2323 V C 2.052 178.154 176.094 0.014 0.000 1.046 2323 V CA 0.976 63.295 62.300 0.031 0.000 1.065 2323 V CB -0.299 31.541 31.823 0.028 0.000 0.703 2323 V HN 0.224 nan 8.190 nan 0.000 0.464 2324 R N 0.344 120.850 120.500 0.011 0.000 2.103 2324 R HA -0.221 4.119 4.340 -0.000 0.000 0.242 2324 R C 2.248 178.553 176.300 0.007 0.000 1.142 2324 R CA 1.937 58.038 56.100 0.001 0.000 0.960 2324 R CB -0.297 30.006 30.300 0.005 0.000 0.858 2324 R HN 0.595 nan 8.270 nan 0.000 0.439 2325 E N 0.346 120.556 120.200 0.016 0.000 2.153 2325 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 2325 E C 1.750 178.359 176.600 0.016 0.000 0.988 2325 E CA 0.809 57.219 56.400 0.017 0.000 0.811 2325 E CB 0.057 29.771 29.700 0.023 0.000 0.746 2325 E HN 0.277 nan 8.360 nan 0.000 0.466 2326 L N -0.146 121.087 121.223 0.017 0.000 2.509 2326 L HA 0.039 4.379 4.340 -0.000 0.000 0.222 2326 L C 1.584 178.461 176.870 0.011 0.000 1.123 2326 L CA 0.332 55.182 54.840 0.017 0.000 0.856 2326 L CB 0.436 42.508 42.059 0.023 0.000 0.985 2326 L HN 0.100 nan 8.230 nan 0.000 0.456 2327 L N -1.936 119.290 121.223 0.006 0.000 3.128 2327 L HA 0.213 4.553 4.340 -0.000 0.000 0.277 2327 L C -0.200 176.668 176.870 -0.003 0.000 1.171 2327 L CA -0.170 54.671 54.840 0.001 0.000 1.008 2327 L CB 0.937 42.993 42.059 -0.003 0.000 1.442 2327 L HN 0.019 nan 8.230 nan 0.000 0.584 3007 Q N 0.843 120.648 119.800 0.008 0.000 2.329 3007 Q HA 0.068 4.408 4.340 -0.000 0.000 0.208 3007 Q C 0.694 176.700 176.000 0.010 0.000 0.934 3007 Q CA 0.515 56.324 55.803 0.009 0.000 0.951 3007 Q CB 0.158 28.902 28.738 0.010 0.000 1.017 3007 Q HN 0.392 nan 8.270 nan 0.000 0.490 3008 K N -0.531 119.874 120.400 0.009 0.000 2.021 3008 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 3008 K C 1.733 178.338 176.600 0.010 0.000 1.047 3008 K CA 1.104 57.396 56.287 0.008 0.000 0.943 3008 K CB -0.037 32.467 32.500 0.007 0.000 0.725 3008 K HN 0.239 nan 8.250 nan 0.000 0.439 3009 A N 0.974 123.799 122.820 0.010 0.000 2.014 3009 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 3009 A C 1.892 179.484 177.584 0.015 0.000 1.163 3009 A CA 0.863 52.907 52.037 0.011 0.000 0.652 3009 A CB -0.319 18.687 19.000 0.010 0.000 0.808 3009 A HN 0.361 nan 8.150 nan 0.000 0.449 3010 L N -0.517 120.715 121.223 0.015 0.000 2.051 3010 L HA 0.260 4.600 4.340 -0.000 0.000 0.202 3010 L C 2.440 179.322 176.870 0.020 0.000 1.097 3010 L CA 1.921 56.772 54.840 0.019 0.000 0.762 3010 L CB -0.814 41.256 42.059 0.018 0.000 0.913 3010 L HN 0.217 nan 8.230 nan 0.000 0.447 3011 A N -0.937 121.893 122.820 0.018 0.000 2.272 3011 A HA 0.147 4.467 4.320 -0.000 0.000 0.213 3011 A C 1.867 179.461 177.584 0.017 0.000 1.183 3011 A CA 1.536 53.583 52.037 0.018 0.000 0.719 3011 A CB -0.957 18.052 19.000 0.015 0.000 0.771 3011 A HN 0.637 nan 8.150 nan 0.000 0.484 3012 A N -1.133 121.697 122.820 0.017 0.000 2.016 3012 A HA 0.563 4.883 4.320 -0.000 0.000 0.202 3012 A C 2.221 179.816 177.584 0.020 0.000 1.632 3012 A CA 0.932 52.979 52.037 0.016 0.000 0.891 3012 A CB -0.944 18.063 19.000 0.012 0.000 1.103 3012 A HN 0.985 nan 8.150 nan 0.000 0.547 3013 A N 0.294 123.127 122.820 0.022 0.000 2.131 3013 A HA 0.016 4.336 4.320 -0.000 0.000 0.220 3013 A C 1.993 179.600 177.584 0.038 0.000 1.158 3013 A CA 1.270 53.323 52.037 0.027 0.000 0.665 3013 A CB -0.767 18.250 19.000 0.028 0.000 0.795 3013 A HN 0.487 nan 8.150 nan 0.000 0.460 3014 L N -0.802 120.444 121.223 0.038 0.000 1.924 3014 L HA -0.193 4.147 4.340 -0.000 0.000 0.222 3014 L C 2.869 179.770 176.870 0.052 0.000 1.081 3014 L CA 1.534 56.402 54.840 0.047 0.000 0.780 3014 L CB -1.274 40.809 42.059 0.041 0.000 0.891 3014 L HN 0.442 nan 8.230 nan 0.000 0.434 3015 G N -1.254 107.570 108.800 0.041 0.000 2.499 3015 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.221 3015 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.221 3015 G C 1.475 176.397 174.900 0.037 0.000 1.109 3015 G CA 0.305 45.428 45.100 0.039 0.000 0.749 3015 G HN 0.367 nan 8.290 nan 0.000 0.568 3016 Q N -0.078 119.741 119.800 0.031 0.000 2.152 3016 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 3016 Q C 2.637 178.651 176.000 0.024 0.000 0.985 3016 Q CA 0.970 56.783 55.803 0.016 0.000 0.863 3016 Q CB -0.225 28.522 28.738 0.016 0.000 0.904 3016 Q HN 0.508 nan 8.270 nan 0.000 0.422 3017 I N 0.162 120.782 120.570 0.084 0.000 2.406 3017 I HA -0.119 4.051 4.170 -0.000 0.000 0.249 3017 I C 2.040 178.285 176.117 0.214 0.000 1.122 3017 I CA 0.802 62.215 61.300 0.190 0.000 1.431 3017 I CB -1.177 36.963 38.000 0.233 0.000 1.087 3017 I HN 0.201 nan 8.210 nan 0.000 0.424 3018 E N 1.165 121.444 120.200 0.132 0.000 2.077 3018 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 3018 E C 2.196 178.838 176.600 0.070 0.000 0.989 3018 E CA 1.209 57.677 56.400 0.112 0.000 0.800 3018 E CB 0.011 29.755 29.700 0.073 0.000 0.746 3018 E HN 0.374 nan 8.360 nan 0.000 0.452 3019 K N 0.651 121.063 120.400 0.021 0.000 2.057 3019 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 3019 K C 2.158 178.705 176.600 -0.089 0.000 1.050 3019 K CA 1.146 57.420 56.287 -0.023 0.000 0.935 3019 K CB 0.089 32.570 32.500 -0.031 0.000 0.715 3019 K HN 0.075 nan 8.250 nan 0.000 0.439 3020 Q N -1.095 118.591 119.800 -0.191 0.000 2.167 3020 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 3020 Q C 1.061 176.692 176.000 -0.615 0.000 0.970 3020 Q CA 1.462 56.968 55.803 -0.495 0.000 0.855 3020 Q CB 0.155 28.416 28.738 -0.796 0.000 0.911 3020 Q HN 0.231 nan 8.270 nan 0.000 0.438 3021 F N -1.635 118.325 119.950 0.017 0.000 2.294 3021 F HA 0.384 4.911 4.527 -0.000 0.000 0.241 3021 F C 0.975 176.787 175.800 0.020 0.000 1.009 3021 F CA 0.046 58.057 58.000 0.019 0.000 1.165 3021 F CB -0.150 38.865 39.000 0.024 0.000 1.445 3021 F HN -0.151 nan 8.300 nan 0.000 0.632 3022 G N 0.168 109.123 108.800 0.259 0.000 2.638 3022 G HA2 0.431 4.391 3.960 -0.000 0.000 0.302 3022 G HA3 0.431 4.391 3.960 -0.000 0.000 0.302 3022 G C -1.591 173.374 174.900 0.110 0.000 1.365 3022 G CA -0.747 44.437 45.100 0.139 0.000 0.987 3022 G HN 0.013 nan 8.290 nan 0.000 0.495 3023 K N 0.865 121.306 120.400 0.069 0.000 2.336 3023 K HA 0.444 4.764 4.320 -0.000 0.000 0.290 3023 K C 0.939 177.569 176.600 0.051 0.000 1.067 3023 K CA 1.039 57.359 56.287 0.054 0.000 0.962 3023 K CB 0.087 32.607 32.500 0.034 0.000 1.008 3023 K HN 1.310 nan 8.250 nan 0.000 0.467 3024 G N 2.664 111.499 108.800 0.059 0.000 2.288 3024 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.205 3024 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.205 3024 G C 0.047 174.981 174.900 0.057 0.000 1.071 3024 G CA 0.136 45.266 45.100 0.051 0.000 0.788 3024 G HN 0.624 nan 8.290 nan 0.000 0.491 3025 S N -0.928 114.817 115.700 0.075 0.000 2.651 3025 S HA 0.694 5.164 4.470 -0.000 0.000 0.246 3025 S C 0.229 174.873 174.600 0.074 0.000 1.039 3025 S CA 0.160 58.403 58.200 0.072 0.000 1.013 3025 S CB 0.583 63.826 63.200 0.071 0.000 0.861 3025 S HN 1.577 nan 8.310 nan 0.000 0.485 3026 I N 0.945 121.563 120.570 0.079 0.000 2.787 3026 I HA 0.642 4.812 4.170 -0.000 0.000 0.294 3026 I C -1.867 174.298 176.117 0.079 0.000 1.365 3026 I CA -1.079 60.272 61.300 0.084 0.000 1.029 3026 I CB 1.992 40.041 38.000 0.081 0.000 1.313 3026 I HN 0.417 nan 8.210 nan 0.000 0.431 3027 M N 4.559 124.211 119.600 0.086 0.000 2.895 3027 M HA 0.504 4.984 4.480 -0.000 0.000 0.271 3027 M C -1.726 174.621 176.300 0.079 0.000 1.174 3027 M CA -1.049 54.295 55.300 0.073 0.000 0.816 3027 M CB 1.769 34.406 32.600 0.061 0.000 1.647 3027 M HN 0.451 nan 8.290 nan 0.000 0.506 3028 R N 0.773 121.311 120.500 0.063 0.000 2.543 3028 R HA 0.381 4.721 4.340 -0.000 0.000 0.277 3028 R C 0.536 176.874 176.300 0.063 0.000 1.074 3028 R CA -0.223 55.912 56.100 0.058 0.000 1.076 3028 R CB 0.861 31.187 30.300 0.043 0.000 0.993 3028 R HN 0.664 nan 8.270 nan 0.000 0.459 3029 L N 1.182 122.445 121.223 0.067 0.000 2.418 3029 L HA 0.044 4.384 4.340 -0.000 0.000 0.218 3029 L C 1.581 178.486 176.870 0.059 0.000 1.125 3029 L CA 0.799 55.687 54.840 0.079 0.000 0.835 3029 L CB 0.118 42.231 42.059 0.090 0.000 0.953 3029 L HN 0.790 nan 8.230 nan 0.000 0.454 3030 G N -0.041 108.785 108.800 0.043 0.000 3.943 3030 G HA2 0.147 4.107 3.960 -0.000 0.000 0.275 3030 G HA3 0.147 4.107 3.960 -0.000 0.000 0.275 3030 G C -0.060 174.858 174.900 0.031 0.000 1.234 3030 G CA -0.210 44.911 45.100 0.034 0.000 1.522 3030 G HN -0.049 nan 8.290 nan 0.000 0.636 3031 E N 0.228 120.448 120.200 0.033 0.000 2.171 3031 E HA 0.192 4.542 4.350 -0.000 0.000 0.271 3031 E C -0.113 176.501 176.600 0.023 0.000 0.916 3031 E CA -0.492 55.925 56.400 0.028 0.000 0.774 3031 E CB 2.055 31.774 29.700 0.031 0.000 1.128 3031 E HN 0.115 nan 8.360 nan 0.000 0.403 3032 D N 1.455 121.867 120.400 0.020 0.000 2.117 3032 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 3032 D C 0.326 176.634 176.300 0.014 0.000 0.982 3032 D CA 0.828 54.837 54.000 0.016 0.000 0.828 3032 D CB 0.067 40.875 40.800 0.015 0.000 0.967 3032 D HN 0.094 nan 8.370 nan 0.000 0.464 3033 R N 1.523 122.032 120.500 0.016 0.000 3.253 3033 R HA 0.018 4.358 4.340 -0.000 0.000 0.319 3033 R C 0.057 176.364 176.300 0.012 0.000 1.047 3033 R CA 0.001 56.110 56.100 0.014 0.000 0.970 3033 R CB -0.555 29.756 30.300 0.018 0.000 1.000 3033 R HN 0.222 nan 8.270 nan 0.000 0.423 3034 S N 2.344 118.049 115.700 0.007 0.000 2.713 3034 S HA 0.572 5.042 4.470 -0.000 0.000 0.283 3034 S C 0.381 174.983 174.600 0.003 0.000 1.161 3034 S CA -0.977 57.225 58.200 0.003 0.000 0.999 3034 S CB 1.701 64.900 63.200 -0.002 0.000 1.039 3034 S HN 0.320 nan 8.310 nan 0.000 0.548 3035 M N 0.493 120.093 119.600 -0.000 0.000 2.799 3035 M HA 0.484 4.964 4.480 -0.000 0.000 0.274 3035 M C -1.152 175.146 176.300 -0.003 0.000 1.137 3035 M CA -0.820 54.480 55.300 0.000 0.000 0.897 3035 M CB 0.424 33.026 32.600 0.002 0.000 1.567 3035 M HN 0.473 nan 8.290 nan 0.000 0.536 3036 D N 1.128 121.526 120.400 -0.003 0.000 2.396 3036 D HA 0.529 5.169 4.640 -0.000 0.000 0.225 3036 D C -1.306 174.989 176.300 -0.008 0.000 1.121 3036 D CA 0.172 54.169 54.000 -0.006 0.000 0.853 3036 D CB 0.888 41.686 40.800 -0.004 0.000 1.043 3036 D HN 0.237 nan 8.370 nan 0.000 0.500 3037 V N 1.370 121.276 119.914 -0.012 0.000 3.087 3037 V HA 0.269 4.389 4.120 -0.000 0.000 0.306 3037 V C 0.141 176.224 176.094 -0.018 0.000 1.187 3037 V CA -1.179 61.112 62.300 -0.015 0.000 0.999 3037 V CB 2.236 34.049 31.823 -0.017 0.000 1.049 3037 V HN 0.322 nan 8.190 nan 0.000 0.431 3038 E N 2.269 122.457 120.200 -0.019 0.000 2.493 3038 E HA 0.225 4.575 4.350 -0.000 0.000 0.255 3038 E C -0.316 176.268 176.600 -0.028 0.000 0.999 3038 E CA 0.298 56.685 56.400 -0.023 0.000 0.934 3038 E CB 0.693 30.380 29.700 -0.022 0.000 0.940 3038 E HN 0.840 nan 8.360 nan 0.000 0.473 3039 T N 1.527 116.062 114.554 -0.032 0.000 2.815 3039 T HA 0.398 4.748 4.350 -0.000 0.000 0.289 3039 T C 0.096 174.768 174.700 -0.047 0.000 1.000 3039 T CA -0.975 61.101 62.100 -0.039 0.000 0.958 3039 T CB 0.674 69.519 68.868 -0.038 0.000 0.944 3039 T HN 0.124 nan 8.240 nan 0.000 0.442 3040 I N 2.402 122.940 120.570 -0.052 0.000 2.519 3040 I HA 0.277 4.447 4.170 -0.000 0.000 0.287 3040 I C 1.139 177.208 176.117 -0.080 0.000 1.047 3040 I CA -0.454 60.808 61.300 -0.064 0.000 1.381 3040 I CB 1.117 39.079 38.000 -0.062 0.000 1.417 3040 I HN 0.719 nan 8.210 nan 0.000 0.540 3041 S N 2.768 118.408 115.700 -0.099 0.000 2.564 3041 S HA 0.088 4.558 4.470 -0.000 0.000 0.278 3041 S C 1.410 175.926 174.600 -0.140 0.000 1.333 3041 S CA -0.135 57.988 58.200 -0.129 0.000 1.048 3041 S CB 0.409 63.511 63.200 -0.164 0.000 0.900 3041 S HN 0.808 nan 8.310 nan 0.000 0.505 3042 T N 1.672 116.137 114.554 -0.149 0.000 3.088 3042 T HA 0.305 4.655 4.350 -0.000 0.000 0.259 3042 T C 1.454 176.042 174.700 -0.187 0.000 1.122 3042 T CA 0.858 62.873 62.100 -0.142 0.000 1.095 3042 T CB -0.229 68.565 68.868 -0.122 0.000 0.930 3042 T HN 1.248 nan 8.240 nan 0.000 0.508 3043 G N 0.859 109.512 108.800 -0.246 0.000 2.349 3043 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.213 3043 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.213 3043 G C 0.547 175.199 174.900 -0.413 0.000 1.044 3043 G CA 0.426 45.342 45.100 -0.307 0.000 0.633 3043 G HN 0.993 nan 8.290 nan 0.000 0.506 3044 S N -0.385 115.042 115.700 -0.455 0.000 2.625 3044 S HA 0.679 5.149 4.470 -0.000 0.000 0.258 3044 S C 1.217 175.594 174.600 -0.371 0.000 1.256 3044 S CA 0.566 58.420 58.200 -0.578 0.000 0.983 3044 S CB 1.074 63.838 63.200 -0.726 0.000 1.032 3044 S HN 0.756 nan 8.310 nan 0.000 0.572 3045 L N 0.398 121.452 121.223 -0.281 0.000 2.688 3045 L HA 0.229 4.569 4.340 -0.000 0.000 0.216 3045 L C 2.387 179.204 176.870 -0.089 0.000 1.036 3045 L CA 1.502 56.246 54.840 -0.159 0.000 0.906 3045 L CB -1.014 40.986 42.059 -0.098 0.000 1.501 3045 L HN 0.890 nan 8.230 nan 0.000 0.489 3046 S N -0.350 115.316 115.700 -0.056 0.000 2.453 3046 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 3046 S C 1.923 176.535 174.600 0.020 0.000 1.005 3046 S CA 0.710 58.918 58.200 0.013 0.000 0.949 3046 S CB -0.466 62.780 63.200 0.077 0.000 0.774 3046 S HN 0.387 nan 8.310 nan 0.000 0.510 3047 L N 1.751 122.967 121.223 -0.012 0.000 2.017 3047 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 3047 L C 1.304 178.156 176.870 -0.030 0.000 1.073 3047 L CA 1.971 56.812 54.840 0.002 0.000 0.745 3047 L CB -0.496 41.545 42.059 -0.029 0.000 0.894 3047 L HN 0.219 nan 8.230 nan 0.000 0.432 3048 D N -0.504 119.857 120.400 -0.065 0.000 2.371 3048 D HA -0.078 4.562 4.640 -0.000 0.000 0.221 3048 D C 1.866 178.143 176.300 -0.038 0.000 0.986 3048 D CA 0.848 54.811 54.000 -0.062 0.000 0.899 3048 D CB 0.122 40.869 40.800 -0.088 0.000 0.902 3048 D HN 0.393 nan 8.370 nan 0.000 0.530 3049 I N 0.094 120.650 120.570 -0.024 0.000 3.081 3049 I HA 0.033 4.203 4.170 -0.000 0.000 0.274 3049 I C 2.137 178.255 176.117 0.002 0.000 1.178 3049 I CA 0.267 61.563 61.300 -0.007 0.000 1.460 3049 I CB 0.211 38.214 38.000 0.004 0.000 1.137 3049 I HN -0.055 nan 8.210 nan 0.000 0.443 3050 A N 0.482 123.305 122.820 0.006 0.000 2.072 3050 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 3050 A C 2.188 179.767 177.584 -0.008 0.000 1.156 3050 A CA 0.697 52.741 52.037 0.012 0.000 0.701 3050 A CB -0.456 18.562 19.000 0.030 0.000 0.816 3050 A HN 0.306 nan 8.150 nan 0.000 0.458 3051 L N -1.332 119.879 121.223 -0.020 0.000 2.017 3051 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 3051 L C 2.252 179.105 176.870 -0.029 0.000 1.073 3051 L CA 1.467 56.285 54.840 -0.036 0.000 0.745 3051 L CB -0.407 41.627 42.059 -0.042 0.000 0.894 3051 L HN 0.589 nan 8.230 nan 0.000 0.432 3052 G N -1.802 106.986 108.800 -0.019 0.000 2.234 3052 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.235 3052 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.235 3052 G C 0.959 175.851 174.900 -0.014 0.000 0.997 3052 G CA 0.548 45.641 45.100 -0.012 0.000 0.623 3052 G HN 0.488 nan 8.290 nan 0.000 0.514 3053 A N -0.539 122.267 122.820 -0.022 0.000 2.063 3053 A HA 0.612 4.932 4.320 -0.000 0.000 0.211 3053 A C 2.528 180.097 177.584 -0.026 0.000 1.177 3053 A CA 2.204 54.227 52.037 -0.023 0.000 0.759 3053 A CB -0.123 18.860 19.000 -0.028 0.000 0.857 3053 A HN 2.414 nan 8.150 nan 0.000 0.468 3054 G N -3.109 105.672 108.800 -0.032 0.000 2.229 3054 G HA2 0.392 4.352 3.960 -0.000 0.000 0.189 3054 G HA3 0.392 4.352 3.960 -0.000 0.000 0.189 3054 G C 0.947 175.815 174.900 -0.053 0.000 1.000 3054 G CA 0.373 45.450 45.100 -0.039 0.000 0.663 3054 G HN 2.152 nan 8.290 nan 0.000 0.493 3055 G N -1.078 107.691 108.800 -0.053 0.000 2.352 3055 G HA2 0.455 4.415 3.960 -0.000 0.000 0.283 3055 G HA3 0.455 4.415 3.960 -0.000 0.000 0.283 3055 G C -0.836 174.032 174.900 -0.054 0.000 1.308 3055 G CA -0.448 44.615 45.100 -0.062 0.000 0.892 3055 G HN 0.926 nan 8.290 nan 0.000 0.504 3056 L N 1.412 122.602 121.223 -0.055 0.000 2.367 3056 L HA 0.341 4.681 4.340 -0.000 0.000 0.275 3056 L C -2.082 174.764 176.870 -0.041 0.000 1.129 3056 L CA -1.477 53.335 54.840 -0.048 0.000 0.839 3056 L CB 0.965 42.997 42.059 -0.046 0.000 1.133 3056 L HN 0.187 nan 8.230 nan 0.000 0.453 3057 P HA 0.036 nan 4.420 nan 0.000 0.265 3057 P C -0.211 177.073 177.300 -0.026 0.000 1.222 3057 P CA 0.039 63.121 63.100 -0.030 0.000 0.767 3057 P CB 0.367 32.050 31.700 -0.028 0.000 0.801 3058 M N 3.137 122.721 119.600 -0.026 0.000 2.268 3058 M HA 0.153 4.633 4.480 -0.000 0.000 0.349 3058 M C 1.348 177.636 176.300 -0.021 0.000 1.485 3058 M CA 0.904 56.189 55.300 -0.024 0.000 1.094 3058 M CB -0.739 31.846 32.600 -0.025 0.000 1.843 3058 M HN 0.780 nan 8.290 nan 0.000 0.460 3059 G N 3.800 112.588 108.800 -0.020 0.000 2.212 3059 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.255 3059 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.255 3059 G C 0.142 175.031 174.900 -0.019 0.000 1.062 3059 G CA -0.200 44.889 45.100 -0.018 0.000 0.815 3059 G HN 0.609 nan 8.290 nan 0.000 0.497 3060 R N -1.206 119.286 120.500 -0.014 0.000 3.150 3060 R HA 0.758 5.098 4.340 -0.000 0.000 0.236 3060 R C 0.121 176.428 176.300 0.013 0.000 1.469 3060 R CA -0.926 55.166 56.100 -0.012 0.000 1.045 3060 R CB 0.718 31.009 30.300 -0.014 0.000 1.481 3060 R HN 0.208 nan 8.270 nan 0.000 0.506 3061 I N 0.876 121.464 120.570 0.030 0.000 2.530 3061 I HA 0.401 4.571 4.170 -0.000 0.000 0.297 3061 I C -0.689 175.470 176.117 0.069 0.000 1.011 3061 I CA -1.027 60.326 61.300 0.089 0.000 1.107 3061 I CB 2.288 40.377 38.000 0.149 0.000 1.285 3061 I HN 0.002 nan 8.210 nan 0.000 0.436 3062 V N 5.319 125.292 119.914 0.098 0.000 2.577 3062 V HA 0.290 4.410 4.120 -0.000 0.000 0.303 3062 V C -0.466 175.683 176.094 0.092 0.000 1.042 3062 V CA -0.553 61.776 62.300 0.048 0.000 0.872 3062 V CB 2.086 33.914 31.823 0.009 0.000 0.998 3062 V HN 0.722 nan 8.190 nan 0.000 0.423 3063 E N 5.286 125.502 120.200 0.027 0.000 2.158 3063 E HA 0.591 4.941 4.350 -0.000 0.000 0.271 3063 E C -1.435 175.124 176.600 -0.068 0.000 0.911 3063 E CA -0.557 55.863 56.400 0.034 0.000 0.767 3063 E CB 1.618 31.317 29.700 -0.002 0.000 1.120 3063 E HN 0.624 nan 8.360 nan 0.000 0.405 3064 I N 6.252 126.818 120.570 -0.006 0.000 2.404 3064 I HA 0.376 4.546 4.170 -0.000 0.000 0.293 3064 I C -0.644 175.515 176.117 0.071 0.000 0.992 3064 I CA -0.742 60.533 61.300 -0.041 0.000 1.149 3064 I CB 1.017 39.024 38.000 0.012 0.000 1.315 3064 I HN 0.573 nan 8.210 nan 0.000 0.446 3065 Y N 3.897 124.218 120.300 0.035 0.000 2.638 3065 Y HA 0.948 5.498 4.550 -0.000 0.000 0.339 3065 Y C -0.194 175.721 175.900 0.026 0.000 1.084 3065 Y CA -1.130 56.988 58.100 0.031 0.000 1.068 3065 Y CB 2.317 40.792 38.460 0.024 0.000 1.294 3065 Y HN 0.665 nan 8.280 nan 0.000 0.480 3066 G N 0.763 109.740 108.800 0.295 0.000 2.321 3066 G HA2 0.251 4.211 3.960 -0.000 0.000 0.339 3066 G HA3 0.251 4.211 3.960 -0.000 0.000 0.339 3066 G C -3.486 171.449 174.900 0.058 0.000 1.518 3066 G CA -1.218 43.966 45.100 0.139 0.000 0.994 3066 G HN 0.498 nan 8.290 nan 0.000 0.668 3067 P HA 0.136 nan 4.420 nan 0.000 0.271 3067 P C 0.330 177.648 177.300 0.031 0.000 1.212 3067 P CA 0.269 63.377 63.100 0.014 0.000 0.788 3067 P CB 0.355 32.060 31.700 0.010 0.000 0.865 3068 E N -0.065 120.151 120.200 0.026 0.000 2.373 3068 E HA 0.159 4.509 4.350 -0.000 0.000 0.267 3068 E C -0.401 176.222 176.600 0.037 0.000 1.032 3068 E CA -0.554 55.867 56.400 0.034 0.000 0.889 3068 E CB -0.156 29.562 29.700 0.030 0.000 0.984 3068 E HN 0.295 nan 8.360 nan 0.000 0.425 3069 S N 1.478 117.203 115.700 0.043 0.000 3.711 3069 S HA -0.184 4.286 4.470 -0.000 0.000 0.374 3069 S C 0.622 175.246 174.600 0.040 0.000 0.969 3069 S CA 0.825 59.051 58.200 0.043 0.000 1.198 3069 S CB -1.872 61.358 63.200 0.050 0.000 0.903 3069 S HN 0.767 nan 8.310 nan 0.000 0.493 3070 S N -0.542 115.181 115.700 0.038 0.000 2.497 3070 S HA 0.506 4.976 4.470 -0.000 0.000 0.221 3070 S C 1.529 176.145 174.600 0.026 0.000 1.037 3070 S CA 0.684 58.905 58.200 0.035 0.000 0.920 3070 S CB 0.869 64.095 63.200 0.043 0.000 0.800 3070 S HN 1.956 nan 8.310 nan 0.000 0.505 3071 G N 1.240 110.057 108.800 0.029 0.000 2.198 3071 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.156 3071 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.156 3071 G C 0.553 175.477 174.900 0.041 0.000 1.012 3071 G CA 0.215 45.328 45.100 0.022 0.000 0.692 3071 G HN 0.376 nan 8.290 nan 0.000 0.492 3072 K N 0.051 120.484 120.400 0.054 0.000 1.986 3072 K HA -0.184 4.136 4.320 -0.000 0.000 0.230 3072 K C 2.623 179.260 176.600 0.061 0.000 1.048 3072 K CA 2.739 59.067 56.287 0.067 0.000 1.008 3072 K CB -0.527 32.019 32.500 0.077 0.000 0.737 3072 K HN 0.257 nan 8.250 nan 0.000 0.447 3073 T N 0.125 114.721 114.554 0.070 0.000 2.565 3073 T HA -0.246 4.104 4.350 -0.000 0.000 0.265 3073 T C 1.846 176.544 174.700 -0.003 0.000 1.082 3073 T CA 2.384 64.532 62.100 0.081 0.000 1.173 3073 T CB -0.690 68.244 68.868 0.110 0.000 0.864 3073 T HN 0.423 nan 8.240 nan 0.000 0.425 3074 T N 2.045 116.572 114.554 -0.045 0.000 2.649 3074 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 3074 T C 1.857 176.508 174.700 -0.082 0.000 1.036 3074 T CA 1.571 63.601 62.100 -0.116 0.000 1.157 3074 T CB -0.618 68.204 68.868 -0.078 0.000 0.861 3074 T HN 0.247 nan 8.240 nan 0.000 0.445 3075 L N 0.645 121.861 121.223 -0.013 0.000 1.989 3075 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 3075 L C 2.889 179.736 176.870 -0.039 0.000 1.071 3075 L CA 2.166 57.007 54.840 0.003 0.000 0.749 3075 L CB -0.893 41.199 42.059 0.055 0.000 0.890 3075 L HN 0.498 nan 8.230 nan 0.000 0.431 3076 T N -1.519 113.024 114.554 -0.017 0.000 2.635 3076 T HA -0.295 4.055 4.350 -0.000 0.000 0.267 3076 T C 1.792 176.439 174.700 -0.088 0.000 1.040 3076 T CA 1.796 63.886 62.100 -0.016 0.000 1.156 3076 T CB -0.925 67.986 68.868 0.072 0.000 0.863 3076 T HN 0.262 nan 8.240 nan 0.000 0.430 3077 L N 0.955 122.085 121.223 -0.155 0.000 2.127 3077 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 3077 L C 3.125 179.870 176.870 -0.208 0.000 1.089 3077 L CA 1.410 56.095 54.840 -0.257 0.000 0.757 3077 L CB -0.661 41.190 42.059 -0.346 0.000 0.899 3077 L HN 0.245 nan 8.230 nan 0.000 0.434 3078 Q N -0.816 118.882 119.800 -0.170 0.000 2.291 3078 Q HA -0.095 4.245 4.340 -0.000 0.000 0.205 3078 Q C 2.279 178.186 176.000 -0.154 0.000 0.970 3078 Q CA 1.237 56.944 55.803 -0.161 0.000 0.876 3078 Q CB 0.020 28.668 28.738 -0.150 0.000 0.935 3078 Q HN 0.457 nan 8.270 nan 0.000 0.455 3079 V N 0.312 120.147 119.914 -0.131 0.000 2.446 3079 V HA -0.170 3.950 4.120 -0.000 0.000 0.244 3079 V C 2.233 178.259 176.094 -0.113 0.000 1.039 3079 V CA 0.979 63.209 62.300 -0.117 0.000 1.045 3079 V CB -0.506 31.264 31.823 -0.088 0.000 0.681 3079 V HN 0.214 nan 8.190 nan 0.000 0.459 3080 I N 1.285 121.784 120.570 -0.118 0.000 2.264 3080 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 3080 I C 2.721 178.764 176.117 -0.123 0.000 1.111 3080 I CA 1.508 62.736 61.300 -0.119 0.000 1.382 3080 I CB -0.691 37.212 38.000 -0.162 0.000 1.060 3080 I HN 0.281 nan 8.210 nan 0.000 0.418 3081 A N 0.985 123.721 122.820 -0.139 0.000 1.865 3081 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 3081 A C 2.282 179.798 177.584 -0.113 0.000 1.191 3081 A CA 1.927 53.887 52.037 -0.128 0.000 0.623 3081 A CB -0.825 18.092 19.000 -0.139 0.000 0.826 3081 A HN 0.432 nan 8.150 nan 0.000 0.444 3082 A N -1.319 121.426 122.820 -0.126 0.000 2.359 3082 A HA 0.604 4.924 4.320 -0.000 0.000 0.240 3082 A C 1.678 179.202 177.584 -0.099 0.000 1.306 3082 A CA 0.995 52.958 52.037 -0.123 0.000 0.898 3082 A CB -0.627 18.274 19.000 -0.166 0.000 0.956 3082 A HN 0.837 nan 8.150 nan 0.000 0.497 3083 A N -1.166 121.601 122.820 -0.087 0.000 1.944 3083 A HA 0.131 4.451 4.320 -0.000 0.000 0.207 3083 A C 1.898 179.445 177.584 -0.061 0.000 1.265 3083 A CA 0.970 52.966 52.037 -0.069 0.000 0.712 3083 A CB -0.310 18.651 19.000 -0.065 0.000 0.915 3083 A HN 0.364 nan 8.150 nan 0.000 0.470 3084 Q N -0.080 119.680 119.800 -0.066 0.000 2.268 3084 Q HA -0.158 4.182 4.340 -0.000 0.000 0.210 3084 Q C 1.958 177.928 176.000 -0.050 0.000 0.988 3084 Q CA 1.664 57.433 55.803 -0.057 0.000 0.883 3084 Q CB -0.315 28.383 28.738 -0.067 0.000 0.911 3084 Q HN 0.504 nan 8.270 nan 0.000 0.430 3085 R N -0.133 120.333 120.500 -0.056 0.000 2.280 3085 R HA 0.038 4.378 4.340 -0.000 0.000 0.207 3085 R C -0.004 176.273 176.300 -0.039 0.000 1.043 3085 R CA 0.791 56.862 56.100 -0.048 0.000 1.006 3085 R CB 0.339 30.602 30.300 -0.061 0.000 0.885 3085 R HN 0.117 nan 8.270 nan 0.000 0.467 3086 E N -1.636 118.539 120.200 -0.040 0.000 3.832 3086 E HA 0.213 4.563 4.350 -0.000 0.000 0.250 3086 E C 0.035 176.617 176.600 -0.030 0.000 1.215 3086 E CA 0.207 56.588 56.400 -0.033 0.000 1.179 3086 E CB 0.770 30.450 29.700 -0.033 0.000 1.270 3086 E HN 0.292 nan 8.360 nan 0.000 0.405 3087 G N 1.829 110.612 108.800 -0.029 0.000 4.236 3087 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.222 3087 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.222 3087 G C 0.212 175.095 174.900 -0.028 0.000 1.354 3087 G CA 0.220 45.305 45.100 -0.025 0.000 0.966 3087 G HN 0.328 nan 8.290 nan 0.000 0.624 3088 K N 3.301 123.683 120.400 -0.030 0.000 2.392 3088 K HA 0.021 4.341 4.320 -0.000 0.000 0.259 3088 K C 0.901 177.482 176.600 -0.032 0.000 1.141 3088 K CA 1.553 57.822 56.287 -0.031 0.000 1.208 3088 K CB -0.785 31.694 32.500 -0.035 0.000 0.786 3088 K HN 0.871 nan 8.250 nan 0.000 0.498 3089 T N -0.076 114.462 114.554 -0.027 0.000 2.913 3089 T HA 0.411 4.761 4.350 -0.000 0.000 0.287 3089 T C 0.322 175.008 174.700 -0.024 0.000 1.008 3089 T CA -0.918 61.167 62.100 -0.025 0.000 1.067 3089 T CB 1.203 70.059 68.868 -0.020 0.000 0.996 3089 T HN 0.560 nan 8.240 nan 0.000 0.513 3090 C N 1.605 120.892 119.300 -0.022 0.000 2.547 3090 C HA 0.897 5.357 4.460 -0.000 0.000 0.313 3090 C C 0.261 175.255 174.990 0.006 0.000 1.191 3090 C CA -0.550 58.460 59.018 -0.014 0.000 1.474 3090 C CB 0.755 28.479 27.740 -0.027 0.000 2.081 3090 C HN 1.230 nan 8.230 nan 0.000 0.476 3091 A N 2.204 125.037 122.820 0.021 0.000 2.401 3091 A HA 0.905 5.225 4.320 -0.000 0.000 0.310 3091 A C -1.370 176.278 177.584 0.106 0.000 1.075 3091 A CA -0.301 51.764 52.037 0.047 0.000 0.746 3091 A CB 1.103 20.107 19.000 0.007 0.000 1.277 3091 A HN 0.883 nan 8.150 nan 0.000 0.425 3092 F N 3.804 123.708 119.950 -0.077 0.000 2.716 3092 F HA 0.463 4.990 4.527 0.000 0.000 0.354 3092 F C -0.833 174.914 175.800 -0.088 0.000 1.168 3092 F CA -1.146 56.802 58.000 -0.086 0.000 1.045 3092 F CB 0.915 39.870 39.000 -0.076 0.000 1.311 3092 F HN 0.398 nan 8.300 nan 0.000 0.477 3093 I N 4.322 124.653 120.570 -0.399 0.000 2.406 3093 I HA 0.062 4.232 4.170 -0.000 0.000 0.293 3093 I C 0.233 176.014 176.117 -0.559 0.000 1.101 3093 I CA 0.230 61.311 61.300 -0.365 0.000 1.334 3093 I CB 0.163 37.996 38.000 -0.278 0.000 1.421 3093 I HN 0.543 nan 8.210 nan 0.000 0.513 3094 D N 5.381 125.499 120.400 -0.470 0.000 3.110 3094 D HA 0.375 5.015 4.640 -0.000 0.000 0.254 3094 D C 1.409 177.483 176.300 -0.375 0.000 1.283 3094 D CA -0.107 53.604 54.000 -0.482 0.000 0.944 3094 D CB 0.707 41.340 40.800 -0.278 0.000 1.066 3094 D HN 0.596 nan 8.370 nan 0.000 0.496 3095 A N 1.234 123.866 122.820 -0.313 0.000 1.958 3095 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 3095 A C 1.976 179.438 177.584 -0.203 0.000 1.178 3095 A CA 1.223 53.114 52.037 -0.242 0.000 0.642 3095 A CB -0.290 18.634 19.000 -0.127 0.000 0.816 3095 A HN 0.470 nan 8.150 nan 0.000 0.453 3096 E N -1.595 118.526 120.200 -0.132 0.000 2.338 3096 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 3096 E C -0.220 176.441 176.600 0.102 0.000 1.007 3096 E CA 0.853 57.254 56.400 0.001 0.000 0.849 3096 E CB -0.246 29.457 29.700 0.006 0.000 0.774 3096 E HN 0.830 nan 8.360 nan 0.000 0.506 3097 H N -1.904 117.164 119.070 -0.004 0.000 2.862 3097 H HA -0.201 4.355 4.556 -0.000 0.000 0.290 3097 H C 0.501 175.855 175.328 0.043 0.000 1.211 3097 H CA 0.265 56.325 56.048 0.019 0.000 1.140 3097 H CB -1.641 28.129 29.762 0.015 0.000 1.341 3097 H HN 0.294 nan 8.280 nan 0.000 0.392 3098 A N 0.647 123.537 122.820 0.118 0.000 3.293 3098 A HA 0.640 4.960 4.320 -0.000 0.000 0.163 3098 A C 0.809 178.485 177.584 0.153 0.000 2.052 3098 A CA -0.100 52.014 52.037 0.129 0.000 1.062 3098 A CB -0.156 18.917 19.000 0.122 0.000 1.908 3098 A HN 1.198 nan 8.150 nan 0.000 0.790 3099 L N -1.684 119.647 121.223 0.181 0.000 3.089 3099 L HA -0.147 4.193 4.340 -0.000 0.000 0.511 3099 L C -1.154 175.794 176.870 0.130 0.000 1.002 3099 L CA 0.809 55.749 54.840 0.167 0.000 1.246 3099 L CB -1.367 40.833 42.059 0.235 0.000 1.087 3099 L HN 0.636 nan 8.230 nan 0.000 0.591 3100 D N 7.481 127.967 120.400 0.144 0.000 2.456 3100 D HA 0.413 5.053 4.640 -0.000 0.000 0.219 3100 D C -1.276 175.086 176.300 0.103 0.000 1.126 3100 D CA -1.819 52.263 54.000 0.136 0.000 0.890 3100 D CB 1.076 41.982 40.800 0.177 0.000 1.025 3100 D HN 0.497 nan 8.370 nan 0.000 0.511 3101 P HA -0.247 nan 4.420 nan 0.000 0.217 3101 P C 1.796 179.114 177.300 0.030 0.000 1.158 3101 P CA 0.894 64.007 63.100 0.021 0.000 0.887 3101 P CB 0.300 32.015 31.700 0.024 0.000 0.792 3102 I N -0.644 119.962 120.570 0.059 0.000 2.065 3102 I HA -0.315 3.855 4.170 -0.000 0.000 0.236 3102 I C 2.678 178.867 176.117 0.120 0.000 1.028 3102 I CA 1.783 63.126 61.300 0.072 0.000 1.299 3102 I CB -2.092 35.950 38.000 0.071 0.000 1.015 3102 I HN 0.010 nan 8.210 nan 0.000 0.396 3103 Y N 1.582 121.875 120.300 -0.010 0.000 2.096 3103 Y HA -0.369 4.181 4.550 -0.000 0.000 0.278 3103 Y C 2.704 178.580 175.900 -0.039 0.000 1.192 3103 Y CA 1.921 60.011 58.100 -0.017 0.000 1.143 3103 Y CB -0.053 38.398 38.460 -0.014 0.000 0.963 3103 Y HN 0.233 nan 8.280 nan 0.000 0.505 3104 A N 0.542 123.318 122.820 -0.073 0.000 1.892 3104 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 3104 A C 2.252 179.752 177.584 -0.140 0.000 1.188 3104 A CA 2.026 53.936 52.037 -0.212 0.000 0.631 3104 A CB -0.945 17.939 19.000 -0.193 0.000 0.822 3104 A HN 0.587 nan 8.150 nan 0.000 0.447 3105 R N -0.186 120.279 120.500 -0.057 0.000 2.083 3105 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 3105 R C 2.105 178.390 176.300 -0.025 0.000 1.137 3105 R CA 1.908 57.985 56.100 -0.038 0.000 0.951 3105 R CB -0.265 30.031 30.300 -0.006 0.000 0.851 3105 R HN 0.540 nan 8.270 nan 0.000 0.434 3106 K N 0.125 120.536 120.400 0.019 0.000 2.281 3106 K HA -0.152 4.168 4.320 -0.000 0.000 0.203 3106 K C 1.951 178.560 176.600 0.014 0.000 1.046 3106 K CA 1.006 57.324 56.287 0.053 0.000 0.938 3106 K CB -0.041 32.548 32.500 0.147 0.000 0.737 3106 K HN 0.235 nan 8.250 nan 0.000 0.458 3107 L N -0.967 120.213 121.223 -0.072 0.000 2.270 3107 L HA 0.018 4.358 4.340 -0.000 0.000 0.210 3107 L C 1.117 177.928 176.870 -0.098 0.000 1.104 3107 L CA 0.762 55.530 54.840 -0.120 0.000 0.804 3107 L CB 0.380 42.281 42.059 -0.263 0.000 0.937 3107 L HN 0.433 nan 8.230 nan 0.000 0.450 3108 G N -0.674 108.072 108.800 -0.091 0.000 2.157 3108 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.114 3108 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.114 3108 G C -0.210 174.637 174.900 -0.088 0.000 1.041 3108 G CA -0.295 44.762 45.100 -0.072 0.000 0.714 3108 G HN -0.017 nan 8.290 nan 0.000 0.492 3109 V N 0.344 120.193 119.914 -0.108 0.000 2.863 3109 V HA 0.526 4.646 4.120 -0.000 0.000 0.307 3109 V C 0.342 176.387 176.094 -0.083 0.000 1.061 3109 V CA -0.829 61.402 62.300 -0.115 0.000 1.024 3109 V CB 1.840 33.566 31.823 -0.162 0.000 1.049 3109 V HN 0.259 nan 8.190 nan 0.000 0.471 3110 D N 2.078 122.434 120.400 -0.073 0.000 2.374 3110 D HA 0.156 4.796 4.640 -0.000 0.000 0.240 3110 D C 0.921 177.188 176.300 -0.054 0.000 1.229 3110 D CA -0.275 53.694 54.000 -0.053 0.000 0.895 3110 D CB 0.971 41.745 40.800 -0.043 0.000 1.046 3110 D HN 0.282 nan 8.370 nan 0.000 0.498 3111 I N 3.046 123.587 120.570 -0.048 0.000 2.361 3111 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 3111 I C 1.305 177.404 176.117 -0.030 0.000 1.133 3111 I CA 1.169 62.442 61.300 -0.045 0.000 1.413 3111 I CB -0.690 37.291 38.000 -0.032 0.000 1.073 3111 I HN 0.346 nan 8.210 nan 0.000 0.424 3112 D N -0.332 120.055 120.400 -0.023 0.000 2.333 3112 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 3112 D C 1.295 177.586 176.300 -0.015 0.000 0.984 3112 D CA 0.462 54.453 54.000 -0.014 0.000 0.873 3112 D CB -0.158 40.635 40.800 -0.011 0.000 0.935 3112 D HN 0.308 nan 8.370 nan 0.000 0.521 3113 N N 0.627 119.314 118.700 -0.022 0.000 2.321 3113 N HA 0.086 4.826 4.740 -0.000 0.000 0.242 3113 N C -0.437 175.058 175.510 -0.025 0.000 1.141 3113 N CA 0.026 53.063 53.050 -0.021 0.000 0.864 3113 N CB 1.065 39.538 38.487 -0.023 0.000 1.100 3113 N HN 0.123 nan 8.380 nan 0.000 0.510 3114 L N 2.098 123.306 121.223 -0.025 0.000 2.581 3114 L HA 0.425 4.765 4.340 -0.000 0.000 0.241 3114 L C -0.982 175.891 176.870 0.004 0.000 1.265 3114 L CA -0.286 54.541 54.840 -0.022 0.000 0.954 3114 L CB 0.008 42.033 42.059 -0.057 0.000 1.269 3114 L HN -0.008 nan 8.230 nan 0.000 0.475 3115 L N 3.472 124.699 121.223 0.007 0.000 2.361 3115 L HA 0.293 4.633 4.340 -0.000 0.000 0.278 3115 L C 0.305 177.191 176.870 0.026 0.000 1.113 3115 L CA -0.118 54.730 54.840 0.013 0.000 0.849 3115 L CB 0.566 42.627 42.059 0.004 0.000 1.155 3115 L HN 0.616 nan 8.230 nan 0.000 0.452 3116 C N 0.575 119.897 119.300 0.036 0.000 3.171 3116 C HA 0.921 5.381 4.460 -0.000 0.000 0.308 3116 C C 0.006 175.006 174.990 0.017 0.000 1.334 3116 C CA -0.934 58.114 59.018 0.051 0.000 1.473 3116 C CB 1.435 29.258 27.740 0.138 0.000 1.866 3116 C HN 0.776 nan 8.230 nan 0.000 0.465 3117 S N 0.436 116.125 115.700 -0.018 0.000 2.566 3117 S HA 0.679 5.149 4.470 -0.000 0.000 0.298 3117 S C -1.046 173.501 174.600 -0.089 0.000 1.083 3117 S CA -0.473 57.699 58.200 -0.046 0.000 0.978 3117 S CB 1.436 64.598 63.200 -0.063 0.000 1.073 3117 S HN 0.850 nan 8.310 nan 0.000 0.491 3118 Q N 1.129 120.880 119.800 -0.081 0.000 2.851 3118 Q HA 0.312 4.652 4.340 -0.000 0.000 0.331 3118 Q C -2.564 173.364 176.000 -0.120 0.000 0.979 3118 Q CA -1.554 54.154 55.803 -0.158 0.000 0.955 3118 Q CB 0.613 29.311 28.738 -0.066 0.000 1.298 3118 Q HN 0.510 nan 8.270 nan 0.000 0.432 3119 P HA -0.019 nan 4.420 nan 0.000 0.269 3119 P C 0.245 177.552 177.300 0.012 0.000 1.217 3119 P CA 0.004 63.073 63.100 -0.051 0.000 0.783 3119 P CB 1.031 32.691 31.700 -0.066 0.000 0.898 3120 D N -0.962 119.462 120.400 0.040 0.000 2.290 3120 D HA -0.012 4.628 4.640 -0.000 0.000 0.224 3120 D C 0.708 177.040 176.300 0.053 0.000 0.967 3120 D CA 1.372 55.414 54.000 0.070 0.000 0.893 3120 D CB -0.128 40.702 40.800 0.049 0.000 1.037 3120 D HN 0.493 nan 8.370 nan 0.000 0.477 3121 T N -2.721 111.851 114.554 0.029 0.000 2.918 3121 T HA 0.525 4.875 4.350 -0.000 0.000 0.286 3121 T C 1.423 176.133 174.700 0.017 0.000 1.026 3121 T CA -0.360 61.755 62.100 0.025 0.000 1.031 3121 T CB 1.977 70.856 68.868 0.020 0.000 1.046 3121 T HN -0.018 nan 8.240 nan 0.000 0.479 3122 G N 0.521 109.334 108.800 0.021 0.000 2.476 3122 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 3122 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 3122 G C 1.227 176.142 174.900 0.024 0.000 1.164 3122 G CA 0.788 45.902 45.100 0.023 0.000 0.768 3122 G HN 0.858 nan 8.290 nan 0.000 0.560 3123 E N -0.204 120.009 120.200 0.022 0.000 2.031 3123 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 3123 E C 2.480 179.089 176.600 0.016 0.000 0.994 3123 E CA 1.111 57.524 56.400 0.023 0.000 0.800 3123 E CB -0.265 29.447 29.700 0.020 0.000 0.752 3123 E HN 0.595 nan 8.360 nan 0.000 0.447 3124 Q N 0.421 120.228 119.800 0.011 0.000 2.047 3124 Q HA -0.288 4.052 4.340 -0.000 0.000 0.211 3124 Q C 2.143 178.141 176.000 -0.004 0.000 1.005 3124 Q CA 2.145 57.950 55.803 0.004 0.000 0.866 3124 Q CB -0.233 28.506 28.738 0.002 0.000 0.938 3124 Q HN 0.253 nan 8.270 nan 0.000 0.414 3125 A N 0.648 123.461 122.820 -0.012 0.000 1.873 3125 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 3125 A C 2.104 179.680 177.584 -0.012 0.000 1.193 3125 A CA 1.742 53.762 52.037 -0.029 0.000 0.629 3125 A CB -1.029 17.948 19.000 -0.038 0.000 0.826 3125 A HN 0.492 nan 8.150 nan 0.000 0.447 3126 L N -1.257 119.978 121.223 0.020 0.000 1.956 3126 L HA -0.239 4.101 4.340 -0.000 0.000 0.216 3126 L C 2.639 179.527 176.870 0.030 0.000 1.073 3126 L CA 2.053 56.920 54.840 0.046 0.000 0.762 3126 L CB -0.498 41.600 42.059 0.066 0.000 0.889 3126 L HN 0.369 nan 8.230 nan 0.000 0.433 3127 E N -0.337 119.876 120.200 0.022 0.000 2.401 3127 E HA -0.142 4.208 4.350 -0.000 0.000 0.199 3127 E C 1.928 178.531 176.600 0.005 0.000 1.023 3127 E CA 0.582 56.992 56.400 0.016 0.000 0.859 3127 E CB -0.026 29.683 29.700 0.015 0.000 0.780 3127 E HN 0.432 nan 8.360 nan 0.000 0.523 3128 I N -0.201 120.366 120.570 -0.005 0.000 2.162 3128 I HA -0.277 3.893 4.170 -0.000 0.000 0.238 3128 I C 2.271 178.375 176.117 -0.020 0.000 1.076 3128 I CA 1.006 62.297 61.300 -0.015 0.000 1.353 3128 I CB -0.243 37.741 38.000 -0.027 0.000 1.063 3128 I HN 0.346 nan 8.210 nan 0.000 0.408 3129 C N -0.602 118.681 119.300 -0.029 0.000 2.448 3129 C HA -0.095 4.365 4.460 -0.000 0.000 0.280 3129 C C 2.441 177.423 174.990 -0.014 0.000 1.398 3129 C CA 0.138 59.133 59.018 -0.038 0.000 1.774 3129 C CB -0.945 26.748 27.740 -0.078 0.000 1.888 3129 C HN 0.498 nan 8.230 nan 0.000 0.519 3130 D N 2.177 122.580 120.400 0.006 0.000 2.106 3130 D HA -0.121 4.519 4.640 -0.000 0.000 0.191 3130 D C 2.304 178.607 176.300 0.005 0.000 0.997 3130 D CA 2.416 56.426 54.000 0.016 0.000 0.834 3130 D CB -0.399 40.415 40.800 0.024 0.000 0.956 3130 D HN 0.538 nan 8.370 nan 0.000 0.448 3131 A N -0.238 122.582 122.820 0.001 0.000 2.216 3131 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 3131 A C 2.251 179.831 177.584 -0.007 0.000 1.160 3131 A CA 0.557 52.593 52.037 -0.002 0.000 0.725 3131 A CB -0.393 18.606 19.000 -0.002 0.000 0.784 3131 A HN 0.392 nan 8.150 nan 0.000 0.472 3132 L N -2.033 119.183 121.223 -0.012 0.000 2.513 3132 L HA 0.123 4.463 4.340 -0.000 0.000 0.222 3132 L C 2.685 179.546 176.870 -0.016 0.000 1.096 3132 L CA 0.703 55.533 54.840 -0.016 0.000 0.857 3132 L CB -0.351 41.693 42.059 -0.024 0.000 1.026 3132 L HN 0.370 nan 8.230 nan 0.000 0.469 3133 A N 0.796 123.609 122.820 -0.012 0.000 1.929 3133 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 3133 A C 2.347 179.927 177.584 -0.008 0.000 1.176 3133 A CA 0.978 53.009 52.037 -0.010 0.000 0.628 3133 A CB -0.225 18.774 19.000 -0.002 0.000 0.816 3133 A HN 0.303 nan 8.150 nan 0.000 0.444 3134 R N -0.276 120.221 120.500 -0.005 0.000 2.153 3134 R HA 0.081 4.421 4.340 -0.000 0.000 0.218 3134 R C 0.815 177.111 176.300 -0.006 0.000 1.072 3134 R CA 0.740 56.838 56.100 -0.005 0.000 0.990 3134 R CB -0.234 30.065 30.300 -0.002 0.000 0.889 3134 R HN 0.279 nan 8.270 nan 0.000 0.452 3135 S N 1.349 117.044 115.700 -0.008 0.000 3.613 3135 S HA 0.122 4.592 4.470 -0.000 0.000 0.220 3135 S C 0.883 175.477 174.600 -0.009 0.000 1.261 3135 S CA 0.336 58.531 58.200 -0.008 0.000 1.143 3135 S CB -0.666 62.528 63.200 -0.009 0.000 1.315 3135 S HN 0.635 nan 8.310 nan 0.000 0.450 3136 G N 2.126 110.921 108.800 -0.009 0.000 2.672 3136 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.324 3136 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.324 3136 G C 0.371 175.264 174.900 -0.012 0.000 1.286 3136 G CA -0.010 45.084 45.100 -0.010 0.000 1.004 3136 G HN 1.147 nan 8.290 nan 0.000 0.548 3137 A N -0.316 122.496 122.820 -0.012 0.000 3.078 3137 A HA 0.599 4.919 4.320 -0.000 0.000 0.279 3137 A C 0.101 177.675 177.584 -0.015 0.000 1.594 3137 A CA 0.302 52.331 52.037 -0.014 0.000 1.301 3137 A CB 0.015 19.007 19.000 -0.014 0.000 1.162 3137 A HN 1.407 nan 8.150 nan 0.000 0.585 3138 V N 1.955 121.860 119.914 -0.016 0.000 2.318 3138 V HA 0.147 4.267 4.120 -0.000 0.000 0.271 3138 V C 0.305 176.386 176.094 -0.021 0.000 1.030 3138 V CA -0.283 62.007 62.300 -0.018 0.000 0.844 3138 V CB 1.041 32.854 31.823 -0.017 0.000 1.015 3138 V HN 0.720 nan 8.190 nan 0.000 0.460 3139 D N 2.570 122.956 120.400 -0.023 0.000 2.333 3139 D HA 0.111 4.751 4.640 -0.000 0.000 0.208 3139 D C 0.194 176.476 176.300 -0.029 0.000 0.984 3139 D CA 0.990 54.975 54.000 -0.025 0.000 0.873 3139 D CB 1.435 42.220 40.800 -0.026 0.000 0.935 3139 D HN 0.363 nan 8.370 nan 0.000 0.521 3140 V N 0.699 120.595 119.914 -0.030 0.000 2.950 3140 V HA 0.332 4.452 4.120 -0.000 0.000 0.295 3140 V C -1.785 174.289 176.094 -0.033 0.000 1.297 3140 V CA -0.717 61.562 62.300 -0.034 0.000 0.962 3140 V CB 2.360 34.161 31.823 -0.037 0.000 1.081 3140 V HN -0.177 nan 8.190 nan 0.000 0.432 3141 I N 5.903 126.442 120.570 -0.051 0.000 2.466 3141 I HA 0.596 4.766 4.170 -0.000 0.000 0.289 3141 I C -0.753 175.304 176.117 -0.099 0.000 1.026 3141 I CA -0.956 60.302 61.300 -0.070 0.000 1.078 3141 I CB 2.145 40.081 38.000 -0.107 0.000 1.249 3141 I HN 0.312 nan 8.210 nan 0.000 0.429 3142 V N 6.595 126.480 119.914 -0.048 0.000 2.417 3142 V HA 0.365 4.485 4.120 -0.000 0.000 0.291 3142 V C -0.185 175.761 176.094 -0.247 0.000 1.024 3142 V CA -0.728 61.535 62.300 -0.063 0.000 0.861 3142 V CB 2.020 33.960 31.823 0.194 0.000 0.985 3142 V HN 0.479 nan 8.190 nan 0.000 0.436 3143 V N 1.248 120.956 119.914 -0.343 0.000 2.311 3143 V HA 0.609 4.729 4.120 -0.000 0.000 0.275 3143 V C -0.644 175.290 176.094 -0.266 0.000 1.022 3143 V CA -0.480 61.589 62.300 -0.385 0.000 0.830 3143 V CB 1.282 32.791 31.823 -0.523 0.000 1.012 3143 V HN 0.805 nan 8.190 nan 0.000 0.452 3144 D N 3.381 123.566 120.400 -0.359 0.000 2.454 3144 D HA 0.624 5.264 4.640 -0.000 0.000 0.247 3144 D C -0.581 175.602 176.300 -0.195 0.000 1.129 3144 D CA 0.338 54.189 54.000 -0.248 0.000 0.877 3144 D CB 1.755 42.346 40.800 -0.348 0.000 1.082 3144 D HN 0.739 nan 8.370 nan 0.000 0.537 3145 S N 2.227 117.879 115.700 -0.080 0.000 2.579 3145 S HA 0.254 4.724 4.470 -0.000 0.000 0.272 3145 S C 1.074 175.700 174.600 0.044 0.000 1.141 3145 S CA -0.713 57.483 58.200 -0.007 0.000 0.843 3145 S CB 1.369 64.582 63.200 0.023 0.000 1.122 3145 S HN 0.092 nan 8.310 nan 0.000 0.468 3146 V N 3.166 123.147 119.914 0.111 0.000 2.495 3146 V HA -0.302 3.818 4.120 -0.000 0.000 0.260 3146 V C 2.714 178.846 176.094 0.064 0.000 1.097 3146 V CA 2.678 65.050 62.300 0.119 0.000 1.105 3146 V CB -1.776 30.120 31.823 0.122 0.000 0.678 3146 V HN 0.909 nan 8.190 nan 0.000 0.469 3147 A N 0.494 123.345 122.820 0.051 0.000 1.859 3147 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 3147 A C 2.232 179.835 177.584 0.032 0.000 1.242 3147 A CA 2.593 54.651 52.037 0.036 0.000 0.661 3147 A CB -1.157 17.864 19.000 0.034 0.000 0.842 3147 A HN 0.855 nan 8.150 nan 0.000 0.455 3148 A N -1.807 121.032 122.820 0.031 0.000 2.247 3148 A HA 0.345 4.665 4.320 -0.000 0.000 0.205 3148 A C 0.794 178.396 177.584 0.031 0.000 1.261 3148 A CA 0.580 52.638 52.037 0.034 0.000 0.853 3148 A CB -0.493 18.534 19.000 0.045 0.000 0.793 3148 A HN 0.350 nan 8.150 nan 0.000 0.487 3149 L N 0.806 122.048 121.223 0.032 0.000 2.984 3149 L HA 0.151 4.491 4.340 -0.000 0.000 0.246 3149 L C 0.984 177.869 176.870 0.025 0.000 1.268 3149 L CA 0.391 55.251 54.840 0.033 0.000 1.054 3149 L CB -0.144 41.944 42.059 0.048 0.000 1.393 3149 L HN 0.343 nan 8.230 nan 0.000 0.532 3150 T N -2.131 112.436 114.554 0.021 0.000 2.729 3150 T HA 0.551 4.901 4.350 -0.000 0.000 0.296 3150 T C -1.593 173.116 174.700 0.016 0.000 0.928 3150 T CA -1.429 60.680 62.100 0.015 0.000 1.045 3150 T CB 0.338 69.212 68.868 0.010 0.000 0.902 3150 T HN -0.001 nan 8.240 nan 0.000 0.500 3167 A N 0.179 122.998 122.820 -0.003 0.000 2.247 3167 A HA 0.624 4.944 4.320 -0.000 0.000 0.205 3167 A C 1.656 179.236 177.584 -0.007 0.000 1.261 3167 A CA 1.424 53.460 52.037 -0.001 0.000 0.853 3167 A CB -0.225 18.775 19.000 0.000 0.000 0.793 3167 A HN 1.085 nan 8.150 nan 0.000 0.487 3168 A N -1.479 121.334 122.820 -0.012 0.000 2.533 3168 A HA 0.247 4.567 4.320 -0.000 0.000 0.180 3168 A C 1.747 179.319 177.584 -0.019 0.000 1.566 3168 A CA 0.141 52.166 52.037 -0.021 0.000 1.153 3168 A CB 0.158 19.143 19.000 -0.025 0.000 1.462 3168 A HN 0.354 nan 8.150 nan 0.000 0.523 3169 R N -0.443 120.050 120.500 -0.012 0.000 2.119 3169 R HA 0.088 4.428 4.340 -0.000 0.000 0.222 3169 R C 2.141 178.440 176.300 -0.002 0.000 1.088 3169 R CA 1.389 57.484 56.100 -0.010 0.000 0.984 3169 R CB -0.278 30.017 30.300 -0.008 0.000 0.884 3169 R HN 0.625 nan 8.270 nan 0.000 0.447 3170 M N 0.181 119.783 119.600 0.002 0.000 2.117 3170 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 3170 M C 1.840 178.149 176.300 0.016 0.000 1.065 3170 M CA 1.521 56.828 55.300 0.011 0.000 1.114 3170 M CB 0.142 32.751 32.600 0.013 0.000 1.361 3170 M HN 0.099 nan 8.290 nan 0.000 0.408 3171 M N -0.669 118.934 119.600 0.004 0.000 2.062 3171 M HA -0.145 4.335 4.480 -0.000 0.000 0.259 3171 M C 2.435 178.739 176.300 0.006 0.000 1.076 3171 M CA 1.781 57.079 55.300 -0.002 0.000 1.122 3171 M CB -1.556 31.018 32.600 -0.043 0.000 1.312 3171 M HN 0.394 nan 8.290 nan 0.000 0.412 3172 S N -0.036 115.656 115.700 -0.014 0.000 2.461 3172 S HA -0.242 4.228 4.470 -0.000 0.000 0.246 3172 S C 1.725 176.340 174.600 0.025 0.000 1.007 3172 S CA 1.662 59.852 58.200 -0.017 0.000 0.976 3172 S CB -0.104 63.069 63.200 -0.044 0.000 0.763 3172 S HN 0.419 nan 8.310 nan 0.000 0.508 3173 Q N 1.006 120.824 119.800 0.030 0.000 1.858 3173 Q HA 0.214 4.554 4.340 -0.000 0.000 0.224 3173 Q C 2.323 178.363 176.000 0.066 0.000 0.980 3173 Q CA 1.845 57.673 55.803 0.042 0.000 0.868 3173 Q CB -0.731 28.026 28.738 0.032 0.000 0.920 3173 Q HN 0.553 nan 8.270 nan 0.000 0.427 3174 A N -0.446 122.415 122.820 0.069 0.000 2.209 3174 A HA -0.085 4.235 4.320 -0.000 0.000 0.212 3174 A C 1.851 179.505 177.584 0.118 0.000 1.158 3174 A CA 1.059 53.147 52.037 0.084 0.000 0.742 3174 A CB -0.505 18.544 19.000 0.083 0.000 0.790 3174 A HN 0.516 nan 8.150 nan 0.000 0.472 3175 M N -0.573 119.108 119.600 0.134 0.000 2.229 3175 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 3175 M C 2.022 178.511 176.300 0.314 0.000 1.063 3175 M CA 1.312 56.740 55.300 0.215 0.000 1.114 3175 M CB -0.355 32.358 32.600 0.189 0.000 1.387 3175 M HN 0.356 nan 8.290 nan 0.000 0.420 3176 R N -0.286 120.386 120.500 0.286 0.000 2.115 3176 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 3176 R C 2.077 178.429 176.300 0.088 0.000 1.111 3176 R CA 1.326 57.584 56.100 0.263 0.000 0.976 3176 R CB -0.174 30.245 30.300 0.198 0.000 0.870 3176 R HN 0.395 nan 8.270 nan 0.000 0.445 3177 K N -0.109 120.339 120.400 0.079 0.000 2.098 3177 K HA 0.032 4.352 4.320 -0.000 0.000 0.203 3177 K C 2.062 178.679 176.600 0.028 0.000 1.051 3177 K CA 0.591 56.905 56.287 0.045 0.000 0.957 3177 K CB 0.077 32.606 32.500 0.049 0.000 0.738 3177 K HN 0.060 nan 8.250 nan 0.000 0.447 3178 L N 0.346 121.597 121.223 0.047 0.000 2.376 3178 L HA -0.036 4.304 4.340 -0.000 0.000 0.219 3178 L C 2.168 179.035 176.870 -0.004 0.000 1.133 3178 L CA 0.606 55.471 54.840 0.042 0.000 0.816 3178 L CB -0.193 41.927 42.059 0.102 0.000 0.933 3178 L HN 0.185 nan 8.230 nan 0.000 0.449 3179 A N -0.065 122.717 122.820 -0.063 0.000 1.930 3179 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 3179 A C 2.216 179.727 177.584 -0.122 0.000 1.175 3179 A CA 1.719 53.645 52.037 -0.183 0.000 0.627 3179 A CB -0.733 18.009 19.000 -0.431 0.000 0.815 3179 A HN 0.412 nan 8.150 nan 0.000 0.443 3180 G N -1.618 107.138 108.800 -0.072 0.000 3.159 3180 G HA2 0.089 4.049 3.960 -0.000 0.000 0.232 3180 G HA3 0.089 4.049 3.960 -0.000 0.000 0.232 3180 G C 0.919 175.804 174.900 -0.026 0.000 1.116 3180 G CA 0.399 45.471 45.100 -0.047 0.000 0.767 3180 G HN 0.599 nan 8.290 nan 0.000 0.547 3181 N N -0.299 118.390 118.700 -0.019 0.000 2.373 3181 N HA 0.231 4.971 4.740 -0.000 0.000 0.181 3181 N C 1.741 177.243 175.510 -0.013 0.000 1.082 3181 N CA -0.059 52.985 53.050 -0.010 0.000 0.885 3181 N CB 0.272 38.758 38.487 -0.001 0.000 0.977 3181 N HN 0.193 nan 8.380 nan 0.000 0.462 3182 L N 0.272 121.484 121.223 -0.018 0.000 2.200 3182 L HA 0.100 4.440 4.340 -0.000 0.000 0.200 3182 L C 1.819 178.676 176.870 -0.021 0.000 1.072 3182 L CA 0.627 55.456 54.840 -0.018 0.000 0.787 3182 L CB -0.145 41.905 42.059 -0.015 0.000 0.957 3182 L HN -0.057 nan 8.230 nan 0.000 0.459 3183 K N 0.056 120.439 120.400 -0.028 0.000 2.442 3183 K HA -0.251 4.069 4.320 -0.000 0.000 0.199 3183 K C 1.964 178.552 176.600 -0.019 0.000 1.044 3183 K CA 1.077 57.349 56.287 -0.025 0.000 0.941 3183 K CB 0.077 32.558 32.500 -0.031 0.000 0.759 3183 K HN 0.182 nan 8.250 nan 0.000 0.472 3184 Q N -0.695 119.095 119.800 -0.017 0.000 2.107 3184 Q HA 0.057 4.397 4.340 -0.000 0.000 0.195 3184 Q C 1.245 177.238 176.000 -0.013 0.000 0.964 3184 Q CA 1.472 57.267 55.803 -0.014 0.000 0.833 3184 Q CB 0.340 29.071 28.738 -0.012 0.000 0.910 3184 Q HN 0.029 nan 8.270 nan 0.000 0.465 3185 S N 0.405 116.097 115.700 -0.014 0.000 2.575 3185 S HA 0.152 4.622 4.470 -0.000 0.000 0.215 3185 S C 0.265 174.856 174.600 -0.015 0.000 0.966 3185 S CA 0.396 58.587 58.200 -0.013 0.000 0.911 3185 S CB 0.026 63.218 63.200 -0.013 0.000 0.780 3185 S HN 0.515 nan 8.310 nan 0.000 0.514 3186 N N 0.838 119.528 118.700 -0.016 0.000 2.909 3186 N HA -0.157 4.583 4.740 -0.000 0.000 0.230 3186 N C -0.384 175.114 175.510 -0.020 0.000 0.869 3186 N CA 1.587 54.626 53.050 -0.018 0.000 1.071 3186 N CB -1.923 36.554 38.487 -0.018 0.000 1.040 3186 N HN 0.368 nan 8.380 nan 0.000 0.620 3187 T N 1.112 115.654 114.554 -0.019 0.000 2.718 3187 T HA 0.078 4.428 4.350 -0.000 0.000 0.265 3187 T C 0.392 175.079 174.700 -0.022 0.000 1.014 3187 T CA 0.186 62.273 62.100 -0.022 0.000 1.172 3187 T CB 0.231 69.087 68.868 -0.021 0.000 1.007 3187 T HN 0.264 nan 8.240 nan 0.000 0.500 3188 L N 4.981 126.188 121.223 -0.027 0.000 2.322 3188 L HA 0.721 5.061 4.340 -0.000 0.000 0.279 3188 L C -0.866 175.982 176.870 -0.036 0.000 1.036 3188 L CA -0.562 54.263 54.840 -0.025 0.000 0.807 3188 L CB 1.227 43.270 42.059 -0.028 0.000 1.226 3188 L HN 0.640 nan 8.230 nan 0.000 0.433 3189 L N 5.855 127.062 121.223 -0.026 0.000 2.381 3189 L HA 0.561 4.901 4.340 -0.000 0.000 0.274 3189 L C -1.180 175.663 176.870 -0.046 0.000 0.988 3189 L CA -0.405 54.393 54.840 -0.070 0.000 0.824 3189 L CB 1.779 43.804 42.059 -0.056 0.000 1.263 3189 L HN 0.618 nan 8.230 nan 0.000 0.410 3190 I N 4.092 124.587 120.570 -0.125 0.000 2.382 3190 I HA 0.316 4.486 4.170 -0.000 0.000 0.285 3190 I C -0.861 175.174 176.117 -0.137 0.000 1.007 3190 I CA -0.288 60.980 61.300 -0.054 0.000 1.142 3190 I CB 1.361 39.344 38.000 -0.028 0.000 1.289 3190 I HN 0.349 nan 8.210 nan 0.000 0.453 3191 F N 6.809 126.756 119.950 -0.005 0.000 2.399 3191 F HA 0.557 5.084 4.527 0.000 0.000 0.334 3191 F C 0.496 176.301 175.800 0.008 0.000 1.097 3191 F CA -0.633 57.367 58.000 -0.001 0.000 1.076 3191 F CB 1.322 40.328 39.000 0.009 0.000 1.162 3191 F HN 0.230 nan 8.300 nan 0.000 0.495 3192 I N 0.436 121.122 120.570 0.193 0.000 2.603 3192 I HA 0.659 4.829 4.170 -0.000 0.000 0.300 3192 I C -0.946 175.264 176.117 0.155 0.000 1.017 3192 I CA -0.753 60.635 61.300 0.147 0.000 1.098 3192 I CB 2.089 40.147 38.000 0.096 0.000 1.279 3192 I HN 0.450 nan 8.210 nan 0.000 0.437 3193 N N 2.201 120.997 118.700 0.161 0.000 2.902 3193 N HA 0.452 5.192 4.740 -0.000 0.000 0.268 3193 N C -1.466 174.113 175.510 0.114 0.000 1.450 3193 N CA -0.477 52.657 53.050 0.139 0.000 0.819 3193 N CB 2.283 40.869 38.487 0.166 0.000 1.540 3193 N HN 0.725 nan 8.380 nan 0.000 0.545 3212 G N 0.747 109.534 108.800 -0.022 0.000 2.880 3212 G HA2 0.360 4.320 3.960 -0.000 0.000 0.303 3212 G HA3 0.360 4.320 3.960 -0.000 0.000 0.303 3212 G C 0.066 174.940 174.900 -0.044 0.000 2.853 3212 G CA 0.610 45.691 45.100 -0.031 0.000 0.748 3212 G HN 0.368 nan 8.290 nan 0.000 0.349 3213 N N 1.910 120.590 118.700 -0.032 0.000 2.016 3213 N HA -0.289 4.451 4.740 -0.000 0.000 0.194 3213 N C 2.697 178.189 175.510 -0.030 0.000 1.078 3213 N CA 2.622 55.657 53.050 -0.024 0.000 0.894 3213 N CB -0.182 38.312 38.487 0.011 0.000 1.073 3213 N HN 1.016 nan 8.380 nan 0.000 0.480 3214 A N 1.295 124.111 122.820 -0.007 0.000 1.698 3214 A HA -0.337 3.983 4.320 -0.000 0.000 0.315 3214 A C 2.244 179.810 177.584 -0.031 0.000 3.574 3214 A CA 3.214 55.229 52.037 -0.036 0.000 0.952 3214 A CB -1.873 17.051 19.000 -0.126 0.000 0.759 3214 A HN 0.702 nan 8.150 nan 0.000 0.516 3215 L N -0.112 121.062 121.223 -0.083 0.000 2.119 3215 L HA -0.339 4.001 4.340 -0.000 0.000 0.226 3215 L C 2.304 179.157 176.870 -0.028 0.000 1.093 3215 L CA 3.497 58.282 54.840 -0.091 0.000 0.806 3215 L CB -0.743 41.164 42.059 -0.254 0.000 0.902 3215 L HN 0.647 nan 8.230 nan 0.000 0.444 3216 K N -1.648 118.704 120.400 -0.079 0.000 2.148 3216 K HA -0.281 4.039 4.320 -0.000 0.000 0.213 3216 K C 1.837 178.322 176.600 -0.191 0.000 1.050 3216 K CA 2.597 58.786 56.287 -0.163 0.000 0.932 3216 K CB -0.349 31.954 32.500 -0.328 0.000 0.717 3216 K HN 0.493 nan 8.250 nan 0.000 0.462 3217 F N -1.536 118.456 119.950 0.071 0.000 2.505 3217 F HA 0.070 4.597 4.527 -0.000 0.000 0.289 3217 F C 1.709 177.633 175.800 0.208 0.000 1.101 3217 F CA 0.235 58.299 58.000 0.107 0.000 1.446 3217 F CB -0.193 38.815 39.000 0.013 0.000 1.123 3217 F HN -0.002 nan 8.300 nan 0.000 0.564 3218 Y N 0.432 120.830 120.300 0.164 0.000 2.632 3218 Y HA 0.244 4.794 4.550 -0.000 0.000 0.301 3218 Y C 1.310 177.234 175.900 0.041 0.000 1.172 3218 Y CA -0.522 57.627 58.100 0.082 0.000 1.328 3218 Y CB -0.213 38.273 38.460 0.043 0.000 1.016 3218 Y HN -0.056 nan 8.280 nan 0.000 0.529 3219 A N -0.415 122.501 122.820 0.161 0.000 2.304 3219 A HA 0.285 4.605 4.320 -0.000 0.000 0.271 3219 A C 0.952 178.554 177.584 0.030 0.000 1.091 3219 A CA -0.201 51.872 52.037 0.061 0.000 0.812 3219 A CB 0.636 19.634 19.000 -0.003 0.000 1.056 3219 A HN 0.217 nan 8.150 nan 0.000 0.489 3220 S N -0.784 114.915 115.700 -0.003 0.000 2.512 3220 S HA 0.302 4.772 4.470 -0.000 0.000 0.216 3220 S C -0.015 174.544 174.600 -0.069 0.000 1.006 3220 S CA 0.127 58.312 58.200 -0.025 0.000 0.915 3220 S CB 0.303 63.493 63.200 -0.017 0.000 0.824 3220 S HN 0.518 nan 8.310 nan 0.000 0.497 3221 V N 2.171 122.037 119.914 -0.080 0.000 2.851 3221 V HA 0.467 4.587 4.120 -0.000 0.000 0.307 3221 V C -1.194 174.812 176.094 -0.146 0.000 1.129 3221 V CA -0.758 61.468 62.300 -0.123 0.000 0.932 3221 V CB 2.282 34.047 31.823 -0.097 0.000 1.024 3221 V HN 0.128 nan 8.190 nan 0.000 0.426 3222 R N 4.362 124.730 120.500 -0.220 0.000 2.670 3222 R HA 0.712 5.052 4.340 -0.000 0.000 0.289 3222 R C -1.844 174.276 176.300 -0.302 0.000 0.965 3222 R CA -0.943 54.990 56.100 -0.278 0.000 0.899 3222 R CB 2.288 32.379 30.300 -0.349 0.000 1.173 3222 R HN 0.312 nan 8.270 nan 0.000 0.456 3223 L N 1.807 122.817 121.223 -0.355 0.000 2.362 3223 L HA 0.320 4.660 4.340 -0.000 0.000 0.275 3223 L C -0.439 176.173 176.870 -0.430 0.000 0.998 3223 L CA -0.521 54.148 54.840 -0.285 0.000 0.820 3223 L CB 1.644 43.622 42.059 -0.134 0.000 1.270 3223 L HN 0.536 nan 8.230 nan 0.000 0.415 3224 D N 3.896 124.179 120.400 -0.195 0.000 2.473 3224 D HA 0.294 4.934 4.640 -0.000 0.000 0.226 3224 D C -0.341 176.028 176.300 0.115 0.000 1.089 3224 D CA -0.144 53.914 54.000 0.097 0.000 0.883 3224 D CB 0.832 41.798 40.800 0.276 0.000 1.029 3224 D HN 0.418 nan 8.370 nan 0.000 0.517 3225 I N 2.977 123.627 120.570 0.134 0.000 2.499 3225 I HA 0.453 4.623 4.170 -0.000 0.000 0.296 3225 I C -0.335 175.829 176.117 0.077 0.000 0.992 3225 I CA -0.588 60.761 61.300 0.080 0.000 1.297 3225 I CB 0.720 38.764 38.000 0.073 0.000 1.410 3225 I HN 0.270 nan 8.210 nan 0.000 0.507 3226 R N 5.733 126.246 120.500 0.022 0.000 2.579 3226 R HA 0.301 4.641 4.340 -0.000 0.000 0.260 3226 R C -1.394 174.895 176.300 -0.018 0.000 1.103 3226 R CA -0.822 55.287 56.100 0.015 0.000 0.942 3226 R CB 1.287 31.602 30.300 0.024 0.000 1.251 3226 R HN 0.664 nan 8.270 nan 0.000 0.450 3227 R N 4.858 125.357 120.500 -0.002 0.000 2.254 3227 R HA 0.288 4.628 4.340 -0.000 0.000 0.318 3227 R C 0.478 176.779 176.300 0.002 0.000 1.031 3227 R CA -0.045 56.053 56.100 -0.003 0.000 0.905 3227 R CB 0.513 30.830 30.300 0.028 0.000 1.050 3227 R HN 0.714 nan 8.270 nan 0.000 0.456 3228 I N 0.771 121.336 120.570 -0.009 0.000 4.338 3228 I HA 0.470 4.640 4.170 -0.000 0.000 0.329 3228 I C 0.394 176.515 176.117 0.006 0.000 1.378 3228 I CA -0.188 61.111 61.300 -0.001 0.000 1.170 3228 I CB 1.431 39.426 38.000 -0.008 0.000 1.206 3228 I HN 0.669 nan 8.210 nan 0.000 0.432 3229 G N 1.326 110.133 108.800 0.012 0.000 2.691 3229 G HA2 0.718 4.678 3.960 -0.000 0.000 0.169 3229 G HA3 0.718 4.678 3.960 -0.000 0.000 0.169 3229 G C -0.192 174.723 174.900 0.024 0.000 1.638 3229 G CA 0.125 45.235 45.100 0.016 0.000 0.822 3229 G HN 1.060 nan 8.290 nan 0.000 0.768 3230 A N -1.622 121.218 122.820 0.034 0.000 2.425 3230 A HA 0.357 4.677 4.320 -0.000 0.000 0.683 3230 A C -0.939 176.657 177.584 0.019 0.000 0.139 3230 A CA -0.210 51.845 52.037 0.031 0.000 0.044 3230 A CB -0.936 18.069 19.000 0.009 0.000 3.957 3230 A HN 1.554 nan 8.150 nan 0.000 0.546 3231 V N 3.454 123.380 119.914 0.019 0.000 2.370 3231 V HA 0.554 4.674 4.120 -0.000 0.000 0.283 3231 V C 0.486 176.569 176.094 -0.017 0.000 1.023 3231 V CA -0.348 61.962 62.300 0.017 0.000 0.857 3231 V CB 1.420 33.273 31.823 0.049 0.000 0.985 3231 V HN 0.820 nan 8.190 nan 0.000 0.443 3232 K N 2.863 123.255 120.400 -0.013 0.000 2.118 3232 K HA 0.584 4.904 4.320 -0.000 0.000 0.254 3232 K C -0.281 176.311 176.600 -0.013 0.000 0.961 3232 K CA -0.612 55.660 56.287 -0.025 0.000 0.876 3232 K CB 1.880 34.367 32.500 -0.022 0.000 1.077 3232 K HN 0.640 nan 8.250 nan 0.000 0.440 3233 E N 1.009 121.198 120.200 -0.018 0.000 3.406 3233 E HA 0.169 4.519 4.350 -0.000 0.000 0.210 3233 E C 0.176 176.770 176.600 -0.011 0.000 1.167 3233 E CA -0.188 56.207 56.400 -0.008 0.000 1.132 3233 E CB 0.717 30.415 29.700 -0.005 0.000 1.309 3233 E HN 0.946 nan 8.360 nan 0.000 0.424 3234 G N 1.779 110.572 108.800 -0.012 0.000 4.365 3234 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.214 3234 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.214 3234 G C 0.848 175.738 174.900 -0.017 0.000 1.450 3234 G CA 0.291 45.384 45.100 -0.013 0.000 0.937 3234 G HN 0.446 nan 8.290 nan 0.000 0.625 3235 E N 0.937 121.124 120.200 -0.021 0.000 2.665 3235 E HA 0.109 4.459 4.350 -0.000 0.000 0.225 3235 E C -0.095 176.484 176.600 -0.035 0.000 0.922 3235 E CA 0.012 56.398 56.400 -0.024 0.000 1.242 3235 E CB 0.529 30.217 29.700 -0.020 0.000 1.197 3235 E HN 0.690 nan 8.360 nan 0.000 0.581 3236 N N 1.287 119.962 118.700 -0.041 0.000 2.419 3236 N HA 0.162 4.902 4.740 -0.000 0.000 0.277 3236 N C -0.064 175.391 175.510 -0.092 0.000 1.006 3236 N CA -0.406 52.607 53.050 -0.061 0.000 0.923 3236 N CB 2.188 40.642 38.487 -0.055 0.000 1.140 3236 N HN -0.200 nan 8.380 nan 0.000 0.488 3237 V N 0.616 120.453 119.914 -0.128 0.000 2.266 3237 V HA 0.072 4.192 4.120 -0.000 0.000 0.240 3237 V C 0.684 176.566 176.094 -0.353 0.000 1.225 3237 V CA -0.142 62.034 62.300 -0.205 0.000 1.237 3237 V CB -0.031 31.673 31.823 -0.199 0.000 1.343 3237 V HN 0.592 nan 8.190 nan 0.000 0.496 3238 V N 3.713 123.463 119.914 -0.274 0.000 3.483 3238 V HA 0.674 4.794 4.120 -0.000 0.000 0.301 3238 V C 1.031 176.996 176.094 -0.215 0.000 1.389 3238 V CA 0.974 63.108 62.300 -0.278 0.000 1.101 3238 V CB 0.067 31.837 31.823 -0.089 0.000 0.971 3238 V HN 0.959 nan 8.190 nan 0.000 0.434 3239 G N -0.997 107.674 108.800 -0.215 0.000 2.727 3239 G HA2 0.603 4.563 3.960 -0.000 0.000 0.289 3239 G HA3 0.603 4.563 3.960 -0.000 0.000 0.289 3239 G C -1.366 173.693 174.900 0.265 0.000 1.418 3239 G CA -0.396 44.783 45.100 0.131 0.000 0.818 3239 G HN 0.079 nan 8.290 nan 0.000 0.486 3240 S N -0.244 115.640 115.700 0.308 0.000 2.750 3240 S HA 0.356 4.826 4.470 -0.000 0.000 0.276 3240 S C -0.919 173.735 174.600 0.090 0.000 1.165 3240 S CA -0.544 57.781 58.200 0.209 0.000 1.047 3240 S CB 1.734 65.078 63.200 0.239 0.000 1.056 3240 S HN 0.640 nan 8.310 nan 0.000 0.481 3241 E N 2.161 122.386 120.200 0.042 0.000 2.324 3241 E HA 0.397 4.747 4.350 -0.000 0.000 0.271 3241 E C -0.601 175.943 176.600 -0.093 0.000 1.028 3241 E CA 0.335 56.725 56.400 -0.017 0.000 0.890 3241 E CB 0.541 30.241 29.700 -0.000 0.000 1.004 3241 E HN 0.457 nan 8.360 nan 0.000 0.431 3242 T N 5.262 119.671 114.554 -0.241 0.000 2.861 3242 T HA 0.519 4.869 4.350 -0.000 0.000 0.287 3242 T C -0.462 173.972 174.700 -0.443 0.000 1.003 3242 T CA -0.838 61.041 62.100 -0.369 0.000 0.977 3242 T CB 1.190 69.722 68.868 -0.560 0.000 0.996 3242 T HN 0.296 nan 8.240 nan 0.000 0.448 3243 R N 1.752 122.101 120.500 -0.253 0.000 2.439 3243 R HA 0.649 4.989 4.340 -0.000 0.000 0.310 3243 R C -1.476 174.772 176.300 -0.086 0.000 0.955 3243 R CA -0.652 55.358 56.100 -0.152 0.000 0.853 3243 R CB 2.083 32.349 30.300 -0.056 0.000 1.171 3243 R HN 0.378 nan 8.270 nan 0.000 0.449 3244 V N 4.412 124.304 119.914 -0.036 0.000 2.409 3244 V HA 0.303 4.423 4.120 -0.000 0.000 0.291 3244 V C -0.145 175.979 176.094 0.049 0.000 1.020 3244 V CA -0.716 61.605 62.300 0.034 0.000 0.848 3244 V CB 1.837 33.725 31.823 0.110 0.000 0.990 3244 V HN 0.545 nan 8.190 nan 0.000 0.430 3245 K N 3.327 123.754 120.400 0.045 0.000 2.183 3245 K HA 0.514 4.834 4.320 -0.000 0.000 0.274 3245 K C -0.740 175.860 176.600 -0.001 0.000 1.009 3245 K CA -0.607 55.710 56.287 0.050 0.000 0.888 3245 K CB 2.149 34.703 32.500 0.090 0.000 1.078 3245 K HN 0.409 nan 8.250 nan 0.000 0.459 3246 V N 5.324 125.227 119.914 -0.018 0.000 2.370 3246 V HA -0.031 4.089 4.120 -0.000 0.000 0.257 3246 V C 1.146 177.142 176.094 -0.163 0.000 1.064 3246 V CA 0.120 62.362 62.300 -0.098 0.000 0.975 3246 V CB 0.726 32.494 31.823 -0.092 0.000 1.067 3246 V HN 0.618 nan 8.190 nan 0.000 0.485 3247 V N 3.732 123.527 119.914 -0.199 0.000 2.436 3247 V HA 0.144 4.264 4.120 -0.000 0.000 0.240 3247 V C 0.993 176.813 176.094 -0.458 0.000 1.040 3247 V CA 0.668 62.852 62.300 -0.193 0.000 1.052 3247 V CB -0.278 31.512 31.823 -0.055 0.000 0.707 3247 V HN 0.660 nan 8.190 nan 0.000 0.469 3248 K N 1.747 121.869 120.400 -0.464 0.000 2.307 3248 K HA 0.376 4.696 4.320 -0.000 0.000 0.263 3248 K C -1.073 175.304 176.600 -0.371 0.000 0.973 3248 K CA -0.378 55.568 56.287 -0.568 0.000 0.846 3248 K CB 0.798 32.869 32.500 -0.715 0.000 1.100 3248 K HN 0.219 nan 8.250 nan 0.000 0.438 3249 N N 4.002 122.504 118.700 -0.329 0.000 2.690 3249 N HA 0.130 4.870 4.740 -0.000 0.000 0.255 3249 N C -1.076 174.358 175.510 -0.127 0.000 1.195 3249 N CA -0.299 52.628 53.050 -0.205 0.000 0.790 3249 N CB 0.919 39.286 38.487 -0.201 0.000 1.216 3249 N HN 0.512 nan 8.380 nan 0.000 0.528 3250 K N 2.396 122.743 120.400 -0.088 0.000 2.862 3250 K HA 0.215 4.535 4.320 -0.000 0.000 0.229 3250 K C 0.426 177.011 176.600 -0.025 0.000 1.107 3250 K CA -0.009 56.257 56.287 -0.034 0.000 1.222 3250 K CB 0.450 32.946 32.500 -0.006 0.000 1.067 3250 K HN 0.413 nan 8.250 nan 0.000 0.464 3251 I N -0.921 119.627 120.570 -0.037 0.000 4.338 3251 I HA 0.141 4.311 4.170 -0.000 0.000 0.315 3251 I C 0.312 176.418 176.117 -0.019 0.000 1.262 3251 I CA 0.162 61.446 61.300 -0.026 0.000 1.298 3251 I CB 0.915 38.894 38.000 -0.034 0.000 1.257 3251 I HN 0.087 nan 8.210 nan 0.000 0.444 3252 A N -0.185 122.620 122.820 -0.026 0.000 4.642 3252 A HA 0.840 5.160 4.320 -0.000 0.000 0.248 3252 A C -0.913 176.662 177.584 -0.016 0.000 0.987 3252 A CA -0.028 52.001 52.037 -0.014 0.000 0.622 3252 A CB -0.506 18.486 19.000 -0.013 0.000 1.769 3252 A HN 0.093 nan 8.150 nan 0.000 0.864 3253 A N 1.266 124.083 122.820 -0.005 0.000 2.492 3253 A HA 0.596 4.916 4.320 -0.000 0.000 0.254 3253 A C -2.408 175.159 177.584 -0.029 0.000 1.091 3253 A CA -0.761 51.281 52.037 0.009 0.000 0.768 3253 A CB -0.791 18.227 19.000 0.030 0.000 1.028 3253 A HN 0.376 nan 8.150 nan 0.000 0.498 3254 P HA 0.558 nan 4.420 nan 0.000 0.284 3254 P C -0.114 177.122 177.300 -0.106 0.000 1.292 3254 P CA -0.553 62.390 63.100 -0.261 0.000 0.800 3254 P CB 0.049 31.411 31.700 -0.563 0.000 1.188 3255 F N -4.177 115.779 119.950 0.011 0.000 3.006 3255 F HA -0.242 4.285 4.527 -0.000 0.000 0.289 3255 F C 0.527 176.334 175.800 0.012 0.000 0.772 3255 F CA 0.896 58.905 58.000 0.014 0.000 1.162 3255 F CB -2.257 36.749 39.000 0.010 0.000 1.382 3255 F HN 0.185 nan 8.300 nan 0.000 0.406 3256 K N 1.159 121.622 120.400 0.106 0.000 2.098 3256 K HA 0.568 4.888 4.320 -0.000 0.000 0.261 3256 K C 0.362 177.001 176.600 0.066 0.000 0.987 3256 K CA -0.613 55.723 56.287 0.081 0.000 0.916 3256 K CB 1.561 34.092 32.500 0.052 0.000 1.039 3256 K HN 0.430 nan 8.250 nan 0.000 0.455 3257 Q N -0.106 119.735 119.800 0.068 0.000 2.484 3257 Q HA 0.775 5.115 4.340 -0.000 0.000 0.285 3257 Q C -1.755 174.289 176.000 0.073 0.000 1.097 3257 Q CA -1.234 54.609 55.803 0.067 0.000 0.802 3257 Q CB 2.230 31.009 28.738 0.069 0.000 1.444 3257 Q HN 0.556 nan 8.270 nan 0.000 0.429 3258 A N 1.393 124.267 122.820 0.090 0.000 2.455 3258 A HA 0.599 4.919 4.320 -0.000 0.000 0.300 3258 A C -1.421 176.245 177.584 0.137 0.000 1.040 3258 A CA -0.766 51.351 52.037 0.132 0.000 0.697 3258 A CB 1.767 20.871 19.000 0.173 0.000 1.265 3258 A HN 0.761 nan 8.150 nan 0.000 0.407 3259 E N 0.770 121.052 120.200 0.137 0.000 2.227 3259 E HA 0.786 5.136 4.350 -0.000 0.000 0.268 3259 E C -1.230 175.481 176.600 0.185 0.000 0.907 3259 E CA -0.548 55.874 56.400 0.037 0.000 0.786 3259 E CB 2.273 31.983 29.700 0.018 0.000 1.191 3259 E HN 0.724 nan 8.360 nan 0.000 0.411 3260 F N -2.136 117.836 119.950 0.037 0.000 2.807 3260 F HA 0.305 4.832 4.527 -0.000 0.000 0.316 3260 F C -1.387 174.445 175.800 0.052 0.000 1.162 3260 F CA -1.275 56.750 58.000 0.041 0.000 0.910 3260 F CB 0.912 39.929 39.000 0.028 0.000 1.314 3260 F HN 0.173 nan 8.300 nan 0.000 0.454 3261 Q N 1.860 121.852 119.800 0.320 0.000 2.261 3261 Q HA 0.616 4.956 4.340 -0.000 0.000 0.252 3261 Q C -0.971 175.222 176.000 0.322 0.000 0.915 3261 Q CA -0.518 55.423 55.803 0.230 0.000 0.915 3261 Q CB 2.306 31.156 28.738 0.187 0.000 1.204 3261 Q HN 0.586 nan 8.270 nan 0.000 0.421 3262 I N 3.793 124.509 120.570 0.243 0.000 2.354 3262 I HA 0.182 4.352 4.170 -0.000 0.000 0.286 3262 I C -0.907 175.358 176.117 0.246 0.000 1.007 3262 I CA -0.745 60.697 61.300 0.237 0.000 1.167 3262 I CB 0.892 38.999 38.000 0.179 0.000 1.320 3262 I HN 0.328 nan 8.210 nan 0.000 0.458 3263 L N 7.233 128.595 121.223 0.230 0.000 2.265 3263 L HA 0.269 4.609 4.340 -0.000 0.000 0.288 3263 L C -0.368 176.693 176.870 0.318 0.000 1.058 3263 L CA -0.074 54.931 54.840 0.275 0.000 0.809 3263 L CB 0.229 42.408 42.059 0.199 0.000 1.179 3263 L HN 0.330 nan 8.230 nan 0.000 0.429 3264 Y N 3.786 124.155 120.300 0.114 0.000 2.802 3264 Y HA 0.191 4.741 4.550 -0.000 0.000 0.351 3264 Y C 1.536 177.518 175.900 0.136 0.000 1.237 3264 Y CA 0.703 58.878 58.100 0.124 0.000 1.599 3264 Y CB 0.094 38.578 38.460 0.039 0.000 1.214 3264 Y HN 0.870 nan 8.280 nan 0.000 0.520 3265 G N 2.586 111.613 108.800 0.379 0.000 2.132 3265 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.234 3265 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.234 3265 G C 0.418 175.446 174.900 0.214 0.000 0.989 3265 G CA 0.436 45.735 45.100 0.332 0.000 0.676 3265 G HN 0.658 nan 8.290 nan 0.000 0.522 3266 E N -1.542 118.771 120.200 0.188 0.000 2.879 3266 E HA 0.454 4.804 4.350 -0.000 0.000 0.206 3266 E C 1.250 177.903 176.600 0.089 0.000 0.969 3266 E CA 1.151 57.626 56.400 0.126 0.000 1.496 3266 E CB 0.645 30.422 29.700 0.129 0.000 1.454 3266 E HN 1.693 nan 8.360 nan 0.000 0.750 3267 G N 1.054 109.915 108.800 0.101 0.000 2.342 3267 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.220 3267 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.220 3267 G C -0.455 174.490 174.900 0.074 0.000 1.243 3267 G CA -0.375 44.754 45.100 0.048 0.000 1.083 3267 G HN 0.151 nan 8.290 nan 0.000 0.500 3268 I N 0.716 121.297 120.570 0.018 0.000 3.112 3268 I HA 0.066 4.236 4.170 -0.000 0.000 0.284 3268 I C 0.585 176.728 176.117 0.044 0.000 1.227 3268 I CA -0.055 61.252 61.300 0.011 0.000 1.369 3268 I CB 0.352 38.241 38.000 -0.186 0.000 1.376 3268 I HN 0.416 nan 8.210 nan 0.000 0.608 3269 N N 3.266 122.013 118.700 0.078 0.000 3.194 3269 N HA 0.098 4.838 4.740 -0.000 0.000 0.271 3269 N C 0.655 176.245 175.510 0.132 0.000 1.308 3269 N CA -0.280 52.855 53.050 0.143 0.000 1.042 3269 N CB -0.099 38.502 38.487 0.190 0.000 1.310 3269 N HN 0.461 nan 8.380 nan 0.000 0.502 3270 F N 1.626 121.499 119.950 -0.130 0.000 2.060 3270 F HA -0.376 4.151 4.527 0.000 0.000 0.293 3270 F C 0.950 176.580 175.800 -0.284 0.000 1.096 3270 F CA 2.096 59.905 58.000 -0.318 0.000 1.241 3270 F CB -0.460 38.174 39.000 -0.611 0.000 0.959 3270 F HN 0.483 nan 8.300 nan 0.000 0.499 3271 Y N -0.946 119.476 120.300 0.204 0.000 2.365 3271 Y HA 0.147 4.697 4.550 -0.000 0.000 0.293 3271 Y C 2.579 178.520 175.900 0.067 0.000 1.119 3271 Y CA 0.619 58.758 58.100 0.065 0.000 1.203 3271 Y CB -1.269 37.194 38.460 0.006 0.000 1.026 3271 Y HN 0.070 nan 8.280 nan 0.000 0.549 3272 G N 1.176 110.121 108.800 0.242 0.000 2.639 3272 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.216 3272 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.216 3272 G C 1.448 176.426 174.900 0.129 0.000 1.267 3272 G CA 1.419 46.622 45.100 0.172 0.000 0.801 3272 G HN 0.576 nan 8.290 nan 0.000 0.592 3273 E N 0.199 120.474 120.200 0.126 0.000 2.265 3273 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 3273 E C 2.340 178.982 176.600 0.070 0.000 0.996 3273 E CA 0.742 57.202 56.400 0.100 0.000 0.832 3273 E CB -0.241 29.510 29.700 0.084 0.000 0.756 3273 E HN 0.349 nan 8.360 nan 0.000 0.491 3274 L N 1.682 122.953 121.223 0.080 0.000 2.005 3274 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 3274 L C 2.333 179.219 176.870 0.027 0.000 1.072 3274 L CA 1.268 56.144 54.840 0.060 0.000 0.744 3274 L CB -0.760 41.341 42.059 0.069 0.000 0.895 3274 L HN 0.051 nan 8.230 nan 0.000 0.433 3275 V N 0.494 120.417 119.914 0.016 0.000 2.222 3275 V HA -0.414 3.706 4.120 -0.000 0.000 0.252 3275 V C 2.420 178.458 176.094 -0.093 0.000 1.060 3275 V CA 2.270 64.521 62.300 -0.082 0.000 1.027 3275 V CB -0.984 30.752 31.823 -0.145 0.000 0.644 3275 V HN 0.443 nan 8.190 nan 0.000 0.448 3276 D N -0.358 120.015 120.400 -0.045 0.000 2.133 3276 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 3276 D C 1.988 178.297 176.300 0.015 0.000 0.997 3276 D CA 1.321 55.318 54.000 -0.006 0.000 0.840 3276 D CB -0.301 40.523 40.800 0.040 0.000 0.947 3276 D HN 0.259 nan 8.370 nan 0.000 0.452 3277 L N 0.655 121.892 121.223 0.023 0.000 1.994 3277 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 3277 L C 2.630 179.516 176.870 0.026 0.000 1.071 3277 L CA 1.773 56.630 54.840 0.030 0.000 0.745 3277 L CB -1.393 40.686 42.059 0.032 0.000 0.892 3277 L HN 0.073 nan 8.230 nan 0.000 0.431 3278 G N -1.389 107.420 108.800 0.015 0.000 2.501 3278 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 3278 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 3278 G C 1.591 176.510 174.900 0.031 0.000 1.114 3278 G CA 1.031 46.144 45.100 0.022 0.000 0.757 3278 G HN 0.292 nan 8.290 nan 0.000 0.559 3279 V N 0.189 120.114 119.914 0.018 0.000 2.302 3279 V HA -0.005 4.115 4.120 -0.000 0.000 0.243 3279 V C 2.504 178.636 176.094 0.062 0.000 1.036 3279 V CA 1.920 64.249 62.300 0.049 0.000 1.020 3279 V CB -0.244 31.612 31.823 0.055 0.000 0.657 3279 V HN 0.352 nan 8.190 nan 0.000 0.453 3280 K N -0.124 120.308 120.400 0.052 0.000 2.486 3280 K HA -0.052 4.268 4.320 -0.000 0.000 0.194 3280 K C 0.731 177.359 176.600 0.046 0.000 1.033 3280 K CA 0.612 56.930 56.287 0.051 0.000 1.004 3280 K CB 0.213 32.742 32.500 0.047 0.000 0.798 3280 K HN 0.327 nan 8.250 nan 0.000 0.495 3281 E N 1.174 121.402 120.200 0.047 0.000 2.723 3281 E HA 0.039 4.389 4.350 -0.000 0.000 0.219 3281 E C -0.431 176.202 176.600 0.056 0.000 1.060 3281 E CA -0.123 56.306 56.400 0.047 0.000 1.291 3281 E CB 0.790 30.517 29.700 0.044 0.000 1.265 3281 E HN 0.115 nan 8.360 nan 0.000 0.438 3282 K N -0.462 119.972 120.400 0.058 0.000 3.184 3282 K HA -0.234 4.086 4.320 -0.000 0.000 0.301 3282 K C 1.138 177.783 176.600 0.076 0.000 1.170 3282 K CA 0.679 57.002 56.287 0.060 0.000 0.897 3282 K CB -1.966 30.561 32.500 0.045 0.000 1.218 3282 K HN 0.303 nan 8.250 nan 0.000 0.441 3283 L N -0.236 121.045 121.223 0.097 0.000 2.162 3283 L HA 0.131 4.471 4.340 -0.000 0.000 0.205 3283 L C 1.131 178.136 176.870 0.225 0.000 1.086 3283 L CA 0.796 55.729 54.840 0.155 0.000 0.778 3283 L CB 0.109 42.265 42.059 0.162 0.000 0.928 3283 L HN 0.103 nan 8.230 nan 0.000 0.446 3284 I N -0.883 119.780 120.570 0.154 0.000 2.509 3284 I HA 0.246 4.416 4.170 -0.000 0.000 0.293 3284 I C -0.683 175.521 176.117 0.145 0.000 1.020 3284 I CA -0.518 60.874 61.300 0.154 0.000 1.088 3284 I CB 1.951 39.977 38.000 0.044 0.000 1.267 3284 I HN -0.078 nan 8.210 nan 0.000 0.430 3285 E N 4.919 125.220 120.200 0.167 0.000 2.151 3285 E HA 0.322 4.672 4.350 -0.000 0.000 0.275 3285 E C -0.833 175.890 176.600 0.205 0.000 0.936 3285 E CA -0.925 55.565 56.400 0.151 0.000 0.777 3285 E CB 1.970 31.727 29.700 0.094 0.000 1.108 3285 E HN 0.319 nan 8.360 nan 0.000 0.401 3286 K N 2.055 122.568 120.400 0.188 0.000 2.284 3286 K HA 0.310 4.630 4.320 -0.000 0.000 0.287 3286 K C -0.655 175.982 176.600 0.062 0.000 1.081 3286 K CA -0.185 56.189 56.287 0.144 0.000 0.910 3286 K CB 0.529 33.122 32.500 0.155 0.000 1.088 3286 K HN 0.597 nan 8.250 nan 0.000 0.478 3287 A N 4.195 127.042 122.820 0.045 0.000 3.293 3287 A HA 0.403 4.723 4.320 -0.000 0.000 0.282 3287 A C 0.907 178.526 177.584 0.059 0.000 1.394 3287 A CA 0.191 52.272 52.037 0.073 0.000 1.118 3287 A CB -0.388 18.682 19.000 0.118 0.000 1.133 3287 A HN 1.073 nan 8.150 nan 0.000 0.627 3288 G N 0.705 109.498 108.800 -0.011 0.000 4.026 3288 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.309 3288 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.309 3288 G C 1.440 176.238 174.900 -0.170 0.000 1.411 3288 G CA 0.894 45.959 45.100 -0.058 0.000 1.037 3288 G HN 1.730 nan 8.290 nan 0.000 0.687 3289 A N -0.709 121.971 122.820 -0.233 0.000 2.197 3289 A HA 0.527 4.847 4.320 -0.000 0.000 0.210 3289 A C 0.793 178.052 177.584 -0.542 0.000 1.180 3289 A CA 0.556 52.347 52.037 -0.410 0.000 0.846 3289 A CB 0.035 18.771 19.000 -0.440 0.000 0.884 3289 A HN 0.582 nan 8.150 nan 0.000 0.487 3290 W N -0.707 120.403 121.300 -0.316 0.000 2.315 3290 W HA 0.508 5.168 4.660 -0.000 0.000 0.316 3290 W C -0.569 175.741 176.519 -0.348 0.000 1.211 3290 W CA -0.114 57.072 57.345 -0.265 0.000 1.201 3290 W CB 0.395 29.774 29.460 -0.136 0.000 1.184 3290 W HN 0.210 nan 8.180 nan 0.000 0.544 3291 Y N 2.252 122.684 120.300 0.221 0.000 2.335 3291 Y HA 0.412 4.962 4.550 -0.000 0.000 0.338 3291 Y C 0.403 176.316 175.900 0.022 0.000 0.977 3291 Y CA -0.728 57.418 58.100 0.077 0.000 1.114 3291 Y CB 1.553 40.011 38.460 -0.003 0.000 1.182 3291 Y HN 0.180 nan 8.280 nan 0.000 0.463 3292 S N 2.628 118.444 115.700 0.194 0.000 2.532 3292 S HA 0.457 4.927 4.470 -0.000 0.000 0.301 3292 S C -1.896 172.784 174.600 0.132 0.000 1.083 3292 S CA -0.740 57.511 58.200 0.084 0.000 1.025 3292 S CB 1.510 64.736 63.200 0.043 0.000 1.056 3292 S HN 0.518 nan 8.310 nan 0.000 0.494 3293 Y N 2.013 122.265 120.300 -0.079 0.000 2.344 3293 Y HA 0.356 4.906 4.550 -0.000 0.000 0.328 3293 Y C -0.125 175.765 175.900 -0.016 0.000 1.067 3293 Y CA -0.876 57.195 58.100 -0.048 0.000 1.247 3293 Y CB 0.353 38.769 38.460 -0.074 0.000 1.113 3293 Y HN 0.839 nan 8.280 nan 0.000 0.465 3294 K N 4.444 124.613 120.400 -0.383 0.000 3.125 3294 K HA -0.205 4.115 4.320 -0.000 0.000 0.268 3294 K C 0.918 177.428 176.600 -0.149 0.000 1.078 3294 K CA 0.989 57.084 56.287 -0.320 0.000 0.775 3294 K CB -1.397 30.840 32.500 -0.437 0.000 1.253 3294 K HN 1.400 nan 8.250 nan 0.000 0.486 3295 G N -0.322 108.419 108.800 -0.098 0.000 2.220 3295 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.269 3295 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.269 3295 G C -0.073 174.784 174.900 -0.072 0.000 0.977 3295 G CA 0.807 45.862 45.100 -0.075 0.000 0.634 3295 G HN 0.477 nan 8.290 nan 0.000 0.539 3296 E N 1.001 121.168 120.200 -0.055 0.000 2.249 3296 E HA 0.302 4.652 4.350 -0.000 0.000 0.280 3296 E C 0.100 176.667 176.600 -0.054 0.000 1.016 3296 E CA -0.641 55.738 56.400 -0.035 0.000 0.830 3296 E CB 0.576 30.290 29.700 0.025 0.000 1.081 3296 E HN 0.116 nan 8.360 nan 0.000 0.395 3297 K N 3.728 124.074 120.400 -0.089 0.000 2.339 3297 K HA 0.141 4.461 4.320 -0.000 0.000 0.286 3297 K C 0.955 177.473 176.600 -0.137 0.000 1.050 3297 K CA 0.156 56.376 56.287 -0.113 0.000 0.956 3297 K CB 0.615 33.008 32.500 -0.178 0.000 0.990 3297 K HN 0.548 nan 8.250 nan 0.000 0.475 3298 I N -1.980 118.446 120.570 -0.241 0.000 4.530 3298 I HA 0.338 4.508 4.170 -0.000 0.000 0.318 3298 I C 0.643 176.451 176.117 -0.514 0.000 1.257 3298 I CA -0.276 60.582 61.300 -0.738 0.000 1.301 3298 I CB 1.217 38.400 38.000 -1.361 0.000 1.297 3298 I HN 0.450 nan 8.210 nan 0.000 0.451 3299 G N 1.198 109.950 108.800 -0.081 0.000 2.702 3299 G HA2 0.452 4.412 3.960 -0.000 0.000 0.296 3299 G HA3 0.452 4.412 3.960 -0.000 0.000 0.296 3299 G C -2.194 172.812 174.900 0.177 0.000 1.463 3299 G CA -0.454 44.697 45.100 0.086 0.000 0.890 3299 G HN 0.158 nan 8.290 nan 0.000 0.534 3300 Q N 0.417 120.226 119.800 0.015 0.000 2.333 3300 Q HA 0.562 4.902 4.340 -0.000 0.000 0.268 3300 Q C 0.215 176.105 176.000 -0.183 0.000 1.007 3300 Q CA 0.173 55.798 55.803 -0.296 0.000 0.810 3300 Q CB 1.494 29.815 28.738 -0.695 0.000 1.264 3300 Q HN 2.117 nan 8.270 nan 0.000 0.452 3301 G N 3.450 112.127 108.800 -0.206 0.000 3.285 3301 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.685 3301 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.685 3301 G C 0.247 175.236 174.900 0.149 0.000 0.938 3301 G CA 0.150 45.211 45.100 -0.065 0.000 0.778 3301 G HN 0.844 nan 8.290 nan 0.000 0.515 3302 K N 2.006 122.578 120.400 0.286 0.000 2.127 3302 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 3302 K C 2.905 179.606 176.600 0.169 0.000 1.050 3302 K CA 2.788 59.280 56.287 0.342 0.000 0.929 3302 K CB -0.359 32.277 32.500 0.226 0.000 0.715 3302 K HN 1.486 nan 8.250 nan 0.000 0.457 3303 A N 1.936 124.826 122.820 0.116 0.000 1.891 3303 A HA -0.316 4.004 4.320 -0.000 0.000 0.221 3303 A C 1.804 179.442 177.584 0.091 0.000 1.394 3303 A CA 2.429 54.515 52.037 0.083 0.000 0.730 3303 A CB -1.300 17.730 19.000 0.051 0.000 0.845 3303 A HN 0.634 nan 8.150 nan 0.000 0.471 3304 N N 0.078 118.832 118.700 0.089 0.000 2.364 3304 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 3304 N C 1.898 177.497 175.510 0.147 0.000 1.022 3304 N CA 1.130 54.241 53.050 0.103 0.000 0.883 3304 N CB -0.309 38.227 38.487 0.081 0.000 0.965 3304 N HN 0.584 nan 8.380 nan 0.000 0.438 3305 A N 1.341 124.251 122.820 0.150 0.000 1.877 3305 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 3305 A C 2.392 180.053 177.584 0.127 0.000 1.186 3305 A CA 1.744 53.851 52.037 0.117 0.000 0.620 3305 A CB -0.990 18.048 19.000 0.063 0.000 0.822 3305 A HN 0.241 nan 8.150 nan 0.000 0.443 3306 T N 0.857 115.467 114.554 0.094 0.000 2.474 3306 T HA -0.102 4.248 4.350 -0.000 0.000 0.254 3306 T C 2.096 176.833 174.700 0.062 0.000 1.191 3306 T CA 1.895 64.048 62.100 0.089 0.000 1.231 3306 T CB -0.922 68.002 68.868 0.094 0.000 0.865 3306 T HN 0.701 nan 8.240 nan 0.000 0.398 3307 A N -0.212 122.633 122.820 0.042 0.000 2.285 3307 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 3307 A C 1.826 179.406 177.584 -0.006 0.000 1.188 3307 A CA 1.296 53.318 52.037 -0.025 0.000 0.707 3307 A CB -1.232 17.770 19.000 0.002 0.000 0.771 3307 A HN 0.738 nan 8.150 nan 0.000 0.488 3308 W N -0.166 121.069 121.300 -0.108 0.000 2.463 3308 W HA -0.026 4.634 4.660 -0.000 0.000 0.316 3308 W C 1.680 178.096 176.519 -0.172 0.000 1.170 3308 W CA 1.594 58.879 57.345 -0.100 0.000 1.355 3308 W CB -0.402 29.033 29.460 -0.043 0.000 1.159 3308 W HN 0.210 nan 8.180 nan 0.000 0.487 3309 L N 1.215 122.504 121.223 0.110 0.000 2.263 3309 L HA -0.271 4.069 4.340 -0.000 0.000 0.216 3309 L C 2.438 178.970 176.870 -0.564 0.000 1.111 3309 L CA 1.602 56.353 54.840 -0.148 0.000 0.773 3309 L CB -0.792 41.320 42.059 0.088 0.000 0.906 3309 L HN 0.058 nan 8.230 nan 0.000 0.439 3310 K N 0.033 119.987 120.400 -0.744 0.000 2.209 3310 K HA -0.188 4.132 4.320 -0.000 0.000 0.204 3310 K C 0.882 177.157 176.600 -0.541 0.000 1.048 3310 K CA 1.528 57.240 56.287 -0.958 0.000 0.940 3310 K CB 0.109 32.233 32.500 -0.627 0.000 0.729 3310 K HN 0.225 nan 8.250 nan 0.000 0.451 3311 D N -0.436 119.677 120.400 -0.479 0.000 2.363 3311 D HA 0.069 4.709 4.640 -0.000 0.000 0.214 3311 D C -0.560 175.464 176.300 -0.460 0.000 1.093 3311 D CA 0.177 53.937 54.000 -0.401 0.000 0.837 3311 D CB 0.419 41.008 40.800 -0.352 0.000 0.948 3311 D HN 0.112 nan 8.370 nan 0.000 0.507 3312 N N 0.391 118.768 118.700 -0.539 0.000 2.642 3312 N HA 0.109 4.849 4.740 -0.000 0.000 0.308 3312 N C -2.117 173.216 175.510 -0.295 0.000 1.914 3312 N CA -0.905 51.855 53.050 -0.483 0.000 0.893 3312 N CB 1.560 39.562 38.487 -0.808 0.000 1.322 3312 N HN -0.005 nan 8.380 nan 0.000 0.490 3313 P HA -0.188 nan 4.420 nan 0.000 0.216 3313 P C 1.465 178.707 177.300 -0.097 0.000 1.154 3313 P CA 1.358 64.386 63.100 -0.121 0.000 0.865 3313 P CB 0.483 32.129 31.700 -0.090 0.000 0.789 3314 E N -0.549 119.596 120.200 -0.092 0.000 2.026 3314 E HA -0.197 4.153 4.350 -0.000 0.000 0.206 3314 E C 1.860 178.438 176.600 -0.035 0.000 1.028 3314 E CA 2.356 58.724 56.400 -0.053 0.000 0.845 3314 E CB -1.536 28.138 29.700 -0.044 0.000 0.772 3314 E HN 0.378 nan 8.360 nan 0.000 0.462 3315 T N -1.192 113.338 114.554 -0.040 0.000 3.163 3315 T HA 0.249 4.599 4.350 -0.000 0.000 0.260 3315 T C 1.609 176.283 174.700 -0.043 0.000 1.156 3315 T CA 0.779 62.885 62.100 0.011 0.000 1.072 3315 T CB 0.158 69.083 68.868 0.095 0.000 0.937 3315 T HN 0.212 nan 8.240 nan 0.000 0.528 3316 A N 2.426 125.207 122.820 -0.066 0.000 1.884 3316 A HA 0.251 4.571 4.320 -0.000 0.000 0.212 3316 A C 2.276 179.827 177.584 -0.055 0.000 1.265 3316 A CA 0.600 52.606 52.037 -0.051 0.000 0.626 3316 A CB -0.448 18.541 19.000 -0.019 0.000 0.943 3316 A HN 0.385 nan 8.150 nan 0.000 0.466 3317 K N 0.015 120.372 120.400 -0.073 0.000 2.189 3317 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 3317 K C 1.938 178.526 176.600 -0.020 0.000 1.046 3317 K CA 1.836 58.083 56.287 -0.067 0.000 0.928 3317 K CB -0.108 32.358 32.500 -0.056 0.000 0.720 3317 K HN 0.663 nan 8.250 nan 0.000 0.458 3318 E N 0.435 120.634 120.200 -0.001 0.000 2.208 3318 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 3318 E C 1.789 178.416 176.600 0.045 0.000 0.988 3318 E CA 0.655 57.074 56.400 0.032 0.000 0.828 3318 E CB 0.134 29.870 29.700 0.061 0.000 0.763 3318 E HN 0.311 nan 8.360 nan 0.000 0.478 3319 I N 0.629 121.214 120.570 0.026 0.000 2.333 3319 I HA -0.176 3.994 4.170 -0.000 0.000 0.246 3319 I C 2.485 178.617 176.117 0.025 0.000 1.106 3319 I CA 0.657 61.976 61.300 0.032 0.000 1.411 3319 I CB -0.233 37.761 38.000 -0.009 0.000 1.082 3319 I HN 0.164 nan 8.210 nan 0.000 0.420 3320 E N 1.908 122.112 120.200 0.007 0.000 2.045 3320 E HA -0.387 3.963 4.350 -0.000 0.000 0.212 3320 E C 2.133 178.752 176.600 0.032 0.000 1.039 3320 E CA 2.376 58.789 56.400 0.022 0.000 0.860 3320 E CB -0.087 29.620 29.700 0.012 0.000 0.776 3320 E HN 0.223 nan 8.360 nan 0.000 0.467 3321 K N 0.453 120.870 120.400 0.028 0.000 2.034 3321 K HA -0.186 4.134 4.320 -0.000 0.000 0.214 3321 K C 1.987 178.606 176.600 0.031 0.000 1.051 3321 K CA 2.204 58.508 56.287 0.028 0.000 0.931 3321 K CB -0.006 32.509 32.500 0.025 0.000 0.715 3321 K HN 0.050 nan 8.250 nan 0.000 0.446 3322 K N 0.004 120.427 120.400 0.038 0.000 2.574 3322 K HA -0.040 4.280 4.320 -0.000 0.000 0.193 3322 K C 1.567 178.190 176.600 0.039 0.000 1.035 3322 K CA 0.693 57.005 56.287 0.042 0.000 0.982 3322 K CB 0.326 32.859 32.500 0.056 0.000 0.795 3322 K HN 0.077 nan 8.250 nan 0.000 0.491 3323 V N 0.314 120.250 119.914 0.036 0.000 2.672 3323 V HA -0.048 4.072 4.120 -0.000 0.000 0.242 3323 V C 2.040 178.149 176.094 0.025 0.000 1.059 3323 V CA 0.690 63.009 62.300 0.032 0.000 1.081 3323 V CB -0.271 31.572 31.823 0.033 0.000 0.752 3323 V HN 0.196 nan 8.190 nan 0.000 0.472 3324 R N 0.360 120.874 120.500 0.023 0.000 2.139 3324 R HA -0.207 4.133 4.340 -0.000 0.000 0.243 3324 R C 2.199 178.508 176.300 0.015 0.000 1.145 3324 R CA 1.759 57.868 56.100 0.016 0.000 0.976 3324 R CB -0.208 30.102 30.300 0.016 0.000 0.866 3324 R HN 0.595 nan 8.270 nan 0.000 0.449 3325 E N 0.195 120.406 120.200 0.019 0.000 2.208 3325 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 3325 E C 1.455 178.066 176.600 0.017 0.000 0.988 3325 E CA 0.658 57.068 56.400 0.017 0.000 0.828 3325 E CB 0.179 29.891 29.700 0.020 0.000 0.763 3325 E HN 0.257 nan 8.360 nan 0.000 0.478 3326 L N 0.022 121.257 121.223 0.020 0.000 2.607 3326 L HA 0.119 4.459 4.340 -0.000 0.000 0.228 3326 L C 0.917 177.798 176.870 0.019 0.000 1.123 3326 L CA 0.190 55.042 54.840 0.021 0.000 0.890 3326 L CB 0.602 42.676 42.059 0.026 0.000 1.103 3326 L HN 0.057 nan 8.230 nan 0.000 0.468 3327 L N -1.088 120.144 121.223 0.015 0.000 3.521 3327 L HA 0.296 4.636 4.340 -0.000 0.000 0.323 3327 L C -0.864 176.010 176.870 0.006 0.000 1.268 3327 L CA 0.015 54.863 54.840 0.012 0.000 1.064 3327 L CB 0.898 42.965 42.059 0.014 0.000 1.455 3327 L HN -0.000 nan 8.230 nan 0.000 0.622 3328 L N 0.000 121.226 121.223 0.005 0.000 2.949 3328 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 3328 L CA 0.000 54.840 54.840 0.001 0.000 0.813 3328 L CB 0.000 42.056 42.059 -0.004 0.000 0.961 3328 L HN 0.000 nan 8.230 nan 0.000 0.502