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 1xo6_1_E DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYDVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.244 176.300 -0.094 0.000 2.045 10 D CA 0.000 53.971 54.000 -0.048 0.000 0.868 10 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 11 I N -1.348 119.144 120.570 -0.130 0.000 5.090 11 I HA 0.200 4.370 4.170 -0.000 0.000 0.392 11 I C -0.407 175.603 176.117 -0.178 0.000 0.890 11 I CA 0.399 61.583 61.300 -0.192 0.000 1.597 11 I CB -0.117 37.702 38.000 -0.303 0.000 2.741 11 I HN 0.463 nan 8.210 nan 0.000 0.858 12 H N 0.583 119.648 119.070 -0.009 0.000 2.520 12 H HA 0.424 4.980 4.556 -0.000 0.000 0.284 12 H C 0.236 175.560 175.328 -0.007 0.000 1.037 12 H CA 0.631 56.675 56.048 -0.008 0.000 1.168 12 H CB 0.269 30.027 29.762 -0.007 0.000 1.497 12 H HN 0.349 nan 8.280 nan 0.000 0.547 13 T N -3.770 110.829 114.554 0.075 0.000 2.932 13 T HA 0.160 4.510 4.350 -0.000 0.000 0.289 13 T C 1.299 176.013 174.700 0.022 0.000 1.039 13 T CA -0.692 61.434 62.100 0.044 0.000 1.024 13 T CB 2.074 70.959 68.868 0.028 0.000 1.090 13 T HN -0.083 nan 8.240 nan 0.000 0.496 14 T N 1.662 116.226 114.554 0.017 0.000 2.652 14 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 14 T C 2.421 177.122 174.700 0.002 0.000 1.039 14 T CA 1.757 63.862 62.100 0.009 0.000 1.153 14 T CB -0.894 67.979 68.868 0.008 0.000 0.863 14 T HN 0.855 nan 8.240 nan 0.000 0.428 15 A N 1.338 124.159 122.820 0.002 0.000 1.948 15 A HA 0.006 4.326 4.320 -0.000 0.000 0.220 15 A C 2.609 180.188 177.584 -0.009 0.000 1.177 15 A CA 2.054 54.090 52.037 -0.002 0.000 0.636 15 A CB -1.384 17.616 19.000 -0.000 0.000 0.815 15 A HN 0.538 nan 8.150 nan 0.000 0.449 16 G N -0.603 108.190 108.800 -0.012 0.000 2.408 16 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 16 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 16 G C 1.659 176.539 174.900 -0.033 0.000 1.150 16 G CA 0.978 46.062 45.100 -0.026 0.000 0.776 16 G HN 0.587 nan 8.290 nan 0.000 0.542 17 K N -0.015 120.370 120.400 -0.025 0.000 2.097 17 K HA 0.126 4.446 4.320 -0.000 0.000 0.205 17 K C 2.443 179.025 176.600 -0.029 0.000 1.050 17 K CA 0.503 56.772 56.287 -0.030 0.000 0.938 17 K CB -0.242 32.248 32.500 -0.017 0.000 0.718 17 K HN 0.271 nan 8.250 nan 0.000 0.442 18 L N 0.490 121.703 121.223 -0.018 0.000 2.093 18 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 18 L C 2.618 179.478 176.870 -0.016 0.000 1.085 18 L CA 1.106 55.938 54.840 -0.013 0.000 0.755 18 L CB -0.703 41.353 42.059 -0.006 0.000 0.904 18 L HN 0.187 nan 8.230 nan 0.000 0.435 19 A N 0.206 123.015 122.820 -0.018 0.000 1.898 19 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 19 A C 1.960 179.528 177.584 -0.027 0.000 1.181 19 A CA 1.925 53.951 52.037 -0.018 0.000 0.620 19 A CB -0.605 18.384 19.000 -0.018 0.000 0.819 19 A HN 0.445 nan 8.150 nan 0.000 0.442 20 D N -0.602 119.773 120.400 -0.041 0.000 2.149 20 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 20 D C 1.716 177.969 176.300 -0.078 0.000 0.990 20 D CA 1.315 55.281 54.000 -0.057 0.000 0.839 20 D CB -0.156 40.603 40.800 -0.068 0.000 0.948 20 D HN 0.269 nan 8.370 nan 0.000 0.460 21 L N 0.630 121.810 121.223 -0.073 0.000 2.027 21 L HA 0.012 4.352 4.340 -0.000 0.000 0.206 21 L C 2.211 179.062 176.870 -0.033 0.000 1.074 21 L CA 1.596 56.384 54.840 -0.087 0.000 0.745 21 L CB -0.529 41.507 42.059 -0.038 0.000 0.898 21 L HN -0.076 nan 8.230 nan 0.000 0.433 22 R N -0.768 119.729 120.500 -0.005 0.000 2.127 22 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 22 R C 2.467 178.784 176.300 0.028 0.000 1.134 22 R CA 1.659 57.772 56.100 0.022 0.000 0.975 22 R CB -0.372 29.937 30.300 0.015 0.000 0.865 22 R HN 0.419 nan 8.270 nan 0.000 0.447 23 R N 0.643 121.146 120.500 0.004 0.000 2.073 23 R HA -0.052 4.288 4.340 -0.000 0.000 0.229 23 R C 2.090 178.409 176.300 0.032 0.000 1.120 23 R CA 0.899 57.010 56.100 0.018 0.000 0.967 23 R CB 0.082 30.382 30.300 0.001 0.000 0.862 23 R HN 0.100 nan 8.270 nan 0.000 0.436 24 R N 0.859 121.327 120.500 -0.053 0.000 2.082 24 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 24 R C 2.427 178.759 176.300 0.053 0.000 1.136 24 R CA 1.743 57.730 56.100 -0.187 0.000 0.935 24 R CB -1.013 28.849 30.300 -0.731 0.000 0.842 24 R HN 0.380 nan 8.270 nan 0.000 0.430 25 I N 1.321 122.016 120.570 0.207 0.000 2.194 25 I HA -0.306 3.864 4.170 -0.000 0.000 0.246 25 I C 2.303 178.535 176.117 0.192 0.000 1.093 25 I CA 1.842 63.317 61.300 0.291 0.000 1.355 25 I CB -0.125 37.990 38.000 0.192 0.000 1.046 25 I HN 0.095 nan 8.210 nan 0.000 0.413 26 E N 1.389 121.691 120.200 0.171 0.000 2.085 26 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 26 E C 2.014 178.793 176.600 0.298 0.000 0.994 26 E CA 1.971 58.503 56.400 0.220 0.000 0.801 26 E CB -0.169 29.613 29.700 0.138 0.000 0.743 26 E HN 0.620 nan 8.360 nan 0.000 0.453 27 E N -0.494 119.856 120.200 0.250 0.000 2.072 27 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 27 E C 2.032 178.841 176.600 0.348 0.000 0.985 27 E CA 0.856 57.434 56.400 0.298 0.000 0.801 27 E CB -0.195 29.715 29.700 0.350 0.000 0.750 27 E HN 0.356 nan 8.360 nan 0.000 0.452 28 A N 1.292 124.326 122.820 0.357 0.000 1.902 28 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 28 A C 2.349 179.989 177.584 0.094 0.000 1.181 28 A CA 1.925 54.132 52.037 0.284 0.000 0.623 28 A CB -0.891 18.201 19.000 0.153 0.000 0.818 28 A HN 0.361 nan 8.150 nan 0.000 0.443 29 T N -4.207 110.351 114.554 0.006 0.000 3.252 29 T HA 0.111 4.461 4.350 -0.000 0.000 0.250 29 T C 0.510 174.877 174.700 -0.555 0.000 1.123 29 T CA 0.680 62.648 62.100 -0.221 0.000 1.006 29 T CB -0.390 68.328 68.868 -0.251 0.000 0.992 29 T HN 0.570 nan 8.240 nan 0.000 0.547 30 H N -0.929 118.179 119.070 0.064 0.000 3.043 30 H HA 0.540 5.096 4.556 -0.000 0.000 0.244 30 H C 1.750 177.099 175.328 0.036 0.000 1.199 30 H CA -0.045 56.028 56.048 0.041 0.000 0.956 30 H CB 0.255 30.041 29.762 0.041 0.000 2.305 30 H HN 0.403 nan 8.280 nan 0.000 0.665 31 A N 1.071 123.944 122.820 0.089 0.000 1.927 31 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 31 A C 1.764 179.346 177.584 -0.002 0.000 1.185 31 A CA 1.533 53.604 52.037 0.056 0.000 0.639 31 A CB -0.680 18.349 19.000 0.047 0.000 0.820 31 A HN 0.352 nan 8.150 nan 0.000 0.451 32 G N -0.257 108.539 108.800 -0.006 0.000 2.467 32 G HA2 0.424 4.384 3.960 -0.000 0.000 0.257 32 G HA3 0.424 4.384 3.960 -0.000 0.000 0.257 32 G C 0.300 175.197 174.900 -0.005 0.000 1.227 32 G CA 0.397 45.478 45.100 -0.033 0.000 0.835 32 G HN 0.841 nan 8.290 nan 0.000 0.556 33 S N 0.676 116.359 115.700 -0.027 0.000 2.576 33 S HA 0.404 4.874 4.470 -0.000 0.000 0.276 33 S C 1.654 176.254 174.600 0.000 0.000 1.339 33 S CA 0.172 58.365 58.200 -0.012 0.000 1.039 33 S CB 1.566 64.751 63.200 -0.026 0.000 0.902 33 S HN 1.254 nan 8.310 nan 0.000 0.516 34 A N 2.749 125.575 122.820 0.009 0.000 1.978 34 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 34 A C 2.274 179.861 177.584 0.004 0.000 1.170 34 A CA 1.360 53.405 52.037 0.012 0.000 0.636 34 A CB -0.729 18.279 19.000 0.012 0.000 0.810 34 A HN 0.863 nan 8.150 nan 0.000 0.448 35 R N -0.174 120.328 120.500 0.003 0.000 2.115 35 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 35 R C 2.170 178.473 176.300 0.006 0.000 1.111 35 R CA 1.468 57.572 56.100 0.007 0.000 0.976 35 R CB -0.490 29.813 30.300 0.005 0.000 0.870 35 R HN 0.460 nan 8.270 nan 0.000 0.445 36 A N 0.150 122.969 122.820 -0.003 0.000 1.897 36 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 36 A C 2.344 179.923 177.584 -0.009 0.000 1.181 36 A CA 1.127 53.167 52.037 0.005 0.000 0.620 36 A CB -0.468 18.524 19.000 -0.012 0.000 0.821 36 A HN 0.153 nan 8.150 nan 0.000 0.443 37 V N 0.260 120.145 119.914 -0.049 0.000 2.287 37 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 37 V C 2.531 178.504 176.094 -0.203 0.000 1.053 37 V CA 2.412 64.618 62.300 -0.156 0.000 1.027 37 V CB -0.751 30.991 31.823 -0.134 0.000 0.646 37 V HN 0.770 nan 8.190 nan 0.000 0.447 38 E N 0.148 120.313 120.200 -0.058 0.000 2.110 38 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 38 E C 2.325 178.950 176.600 0.042 0.000 0.988 38 E CA 1.606 58.022 56.400 0.026 0.000 0.804 38 E CB -0.093 29.633 29.700 0.043 0.000 0.745 38 E HN 0.579 nan 8.360 nan 0.000 0.458 39 K N 0.277 120.694 120.400 0.028 0.000 2.097 39 K HA -0.238 4.082 4.320 -0.000 0.000 0.205 39 K C 2.276 178.909 176.600 0.055 0.000 1.050 39 K CA 1.546 57.864 56.287 0.052 0.000 0.938 39 K CB -0.021 32.519 32.500 0.066 0.000 0.718 39 K HN -0.008 nan 8.250 nan 0.000 0.442 40 Q N 0.251 120.066 119.800 0.025 0.000 2.050 40 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 40 Q C 1.581 177.616 176.000 0.058 0.000 0.980 40 Q CA 1.985 57.796 55.803 0.013 0.000 0.840 40 Q CB -0.227 28.490 28.738 -0.036 0.000 0.898 40 Q HN 0.577 nan 8.270 nan 0.000 0.424 41 H N -1.055 118.031 119.070 0.026 0.000 2.387 41 H HA -0.007 4.549 4.556 -0.000 0.000 0.299 41 H C 1.728 177.062 175.328 0.011 0.000 1.090 41 H CA 0.533 56.590 56.048 0.015 0.000 1.332 41 H CB 0.057 29.830 29.762 0.020 0.000 1.386 41 H HN 0.458 nan 8.280 nan 0.000 0.516 42 A N 1.008 123.915 122.820 0.146 0.000 2.125 42 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 42 A C 1.813 179.431 177.584 0.056 0.000 1.156 42 A CA 1.194 53.281 52.037 0.083 0.000 0.671 42 A CB -0.123 18.917 19.000 0.067 0.000 0.794 42 A HN 0.342 nan 8.150 nan 0.000 0.459 43 K N -1.523 118.907 120.400 0.051 0.000 2.374 43 K HA 0.262 4.582 4.320 -0.000 0.000 0.196 43 K C 0.875 177.487 176.600 0.020 0.000 1.023 43 K CA 0.423 56.724 56.287 0.023 0.000 1.103 43 K CB 0.183 32.678 32.500 -0.009 0.000 0.848 43 K HN 0.587 nan 8.250 nan 0.000 0.528 44 G N 2.305 111.127 108.800 0.037 0.000 2.137 44 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.237 44 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.237 44 G C -0.321 174.595 174.900 0.027 0.000 1.002 44 G CA 0.110 45.225 45.100 0.025 0.000 0.702 44 G HN 0.246 nan 8.290 nan 0.000 0.515 45 K N -0.742 119.687 120.400 0.049 0.000 2.185 45 K HA 0.835 5.155 4.320 -0.000 0.000 0.240 45 K C 0.412 177.095 176.600 0.138 0.000 0.983 45 K CA -0.860 55.453 56.287 0.043 0.000 0.873 45 K CB 1.699 34.187 32.500 -0.020 0.000 1.118 45 K HN 0.128 nan 8.250 nan 0.000 0.441 46 L N 0.301 121.587 121.223 0.105 0.000 2.335 46 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 46 L C 0.476 177.406 176.870 0.101 0.000 1.016 46 L CA -0.924 54.015 54.840 0.165 0.000 0.805 46 L CB 1.841 43.949 42.059 0.082 0.000 1.311 46 L HN 0.774 nan 8.230 nan 0.000 0.456 47 T N -2.299 112.314 114.554 0.098 0.000 2.913 47 T HA 0.391 4.741 4.350 -0.000 0.000 0.287 47 T C 1.037 175.740 174.700 0.005 0.000 1.008 47 T CA -0.106 62.007 62.100 0.021 0.000 1.067 47 T CB 1.633 70.496 68.868 -0.009 0.000 0.996 47 T HN 0.652 nan 8.240 nan 0.000 0.513 48 A N 2.034 124.853 122.820 -0.002 0.000 1.927 48 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 48 A C 2.524 180.061 177.584 -0.080 0.000 1.185 48 A CA 1.625 53.648 52.037 -0.025 0.000 0.639 48 A CB -0.746 18.248 19.000 -0.010 0.000 0.820 48 A HN 0.927 nan 8.150 nan 0.000 0.451 49 R N -0.741 119.708 120.500 -0.084 0.000 2.119 49 R HA -0.043 4.297 4.340 -0.000 0.000 0.222 49 R C 2.001 178.230 176.300 -0.117 0.000 1.088 49 R CA 1.227 57.248 56.100 -0.131 0.000 0.984 49 R CB -0.206 30.027 30.300 -0.111 0.000 0.884 49 R HN 0.690 nan 8.270 nan 0.000 0.447 50 E N 0.356 120.523 120.200 -0.054 0.000 2.152 50 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 50 E C 1.986 178.554 176.600 -0.054 0.000 0.983 50 E CA 0.786 57.168 56.400 -0.029 0.000 0.818 50 E CB 0.082 29.804 29.700 0.037 0.000 0.758 50 E HN 0.257 nan 8.360 nan 0.000 0.467 51 R N 0.504 120.967 120.500 -0.062 0.000 2.075 51 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 51 R C 2.371 178.599 176.300 -0.120 0.000 1.126 51 R CA 0.978 57.036 56.100 -0.070 0.000 0.963 51 R CB -0.199 30.067 30.300 -0.057 0.000 0.858 51 R HN 0.161 nan 8.270 nan 0.000 0.435 52 I N 1.057 121.511 120.570 -0.194 0.000 2.226 52 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 52 I C 1.398 177.366 176.117 -0.249 0.000 1.100 52 I CA 1.224 62.342 61.300 -0.303 0.000 1.374 52 I CB -0.317 37.334 38.000 -0.583 0.000 1.057 52 I HN 0.153 nan 8.210 nan 0.000 0.413 53 D N 0.637 120.920 120.400 -0.195 0.000 2.218 53 D HA -0.145 4.495 4.640 -0.000 0.000 0.204 53 D C 2.084 178.337 176.300 -0.077 0.000 0.976 53 D CA 1.237 55.165 54.000 -0.121 0.000 0.853 53 D CB -0.031 40.720 40.800 -0.081 0.000 0.939 53 D HN 0.231 nan 8.370 nan 0.000 0.481 54 L N 0.080 121.261 121.223 -0.071 0.000 2.209 54 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 54 L C 2.111 178.954 176.870 -0.045 0.000 1.094 54 L CA 0.586 55.399 54.840 -0.045 0.000 0.790 54 L CB -0.500 41.540 42.059 -0.033 0.000 0.932 54 L HN 0.030 nan 8.230 nan 0.000 0.447 55 L N -0.928 120.257 121.223 -0.063 0.000 2.007 55 L HA -0.004 4.336 4.340 -0.000 0.000 0.205 55 L C 0.973 177.817 176.870 -0.043 0.000 1.073 55 L CA 1.447 56.254 54.840 -0.055 0.000 0.744 55 L CB -0.290 41.726 42.059 -0.073 0.000 0.898 55 L HN -0.059 nan 8.230 nan 0.000 0.435 56 L N 0.601 121.793 121.223 -0.051 0.000 2.453 56 L HA 0.151 4.491 4.340 -0.000 0.000 0.261 56 L C -0.155 176.714 176.870 -0.002 0.000 1.179 56 L CA -0.791 54.042 54.840 -0.011 0.000 0.813 56 L CB -0.043 42.023 42.059 0.012 0.000 1.110 56 L HN 0.154 nan 8.230 nan 0.000 0.466 57 D N 1.306 121.717 120.400 0.018 0.000 2.389 57 D HA 0.018 4.658 4.640 -0.000 0.000 0.247 57 D C 0.133 176.446 176.300 0.022 0.000 1.128 57 D CA -0.019 53.990 54.000 0.014 0.000 0.884 57 D CB 0.645 41.458 40.800 0.020 0.000 1.194 57 D HN 0.398 nan 8.370 nan 0.000 0.441 58 E N 0.452 120.659 120.200 0.012 0.000 2.820 58 E HA 0.024 4.374 4.350 -0.000 0.000 0.251 58 E C 1.089 177.704 176.600 0.025 0.000 0.944 58 E CA 0.688 57.097 56.400 0.015 0.000 0.955 58 E CB 0.262 29.965 29.700 0.006 0.000 0.904 58 E HN 0.776 nan 8.360 nan 0.000 0.513 59 G N 3.044 111.866 108.800 0.036 0.000 2.155 59 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.257 59 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.257 59 G C 0.871 175.795 174.900 0.040 0.000 0.983 59 G CA 0.874 45.995 45.100 0.035 0.000 0.676 59 G HN 0.623 nan 8.290 nan 0.000 0.528 60 S N -1.274 114.465 115.700 0.065 0.000 2.486 60 S HA 0.413 4.883 4.470 -0.000 0.000 0.220 60 S C 0.892 175.535 174.600 0.072 0.000 1.011 60 S CA 0.273 58.516 58.200 0.071 0.000 0.921 60 S CB 0.181 63.433 63.200 0.086 0.000 0.785 60 S HN 1.014 nan 8.310 nan 0.000 0.517 61 F N 3.305 123.203 119.950 -0.087 0.000 2.538 61 F HA 0.490 5.017 4.527 -0.000 0.000 0.371 61 F C -0.563 175.088 175.800 -0.250 0.000 1.087 61 F CA -0.768 57.135 58.000 -0.163 0.000 1.250 61 F CB 0.816 39.737 39.000 -0.131 0.000 1.110 61 F HN -0.066 nan 8.300 nan 0.000 0.570 62 V N 6.736 125.926 119.914 -1.207 0.000 2.409 62 V HA 0.204 4.324 4.120 -0.000 0.000 0.290 62 V C -0.201 174.956 176.094 -1.561 0.000 1.017 62 V CA -1.012 60.565 62.300 -1.206 0.000 0.841 62 V CB 1.323 32.481 31.823 -1.108 0.000 1.003 62 V HN 0.757 nan 8.190 nan 0.000 0.426 63 E N 4.118 123.517 120.200 -1.335 0.000 2.366 63 E HA 0.544 4.894 4.350 -0.000 0.000 0.266 63 E C -1.223 175.067 176.600 -0.516 0.000 1.051 63 E CA -0.384 55.477 56.400 -0.899 0.000 0.884 63 E CB 1.013 30.416 29.700 -0.495 0.000 1.006 63 E HN 0.557 nan 8.360 nan 0.000 0.417 64 L N 3.311 124.336 121.223 -0.331 0.000 2.346 64 L HA 0.283 4.623 4.340 -0.000 0.000 0.274 64 L C -0.352 176.422 176.870 -0.160 0.000 1.007 64 L CA -0.808 53.898 54.840 -0.223 0.000 0.818 64 L CB 1.654 43.612 42.059 -0.168 0.000 1.284 64 L HN 0.657 nan 8.230 nan 0.000 0.424 65 D N 0.657 120.977 120.400 -0.134 0.000 2.837 65 D HA -0.235 4.405 4.640 -0.000 0.000 0.230 65 D C 1.197 177.417 176.300 -0.134 0.000 1.152 65 D CA 1.379 55.326 54.000 -0.088 0.000 0.736 65 D CB -0.652 40.125 40.800 -0.038 0.000 1.084 65 D HN 0.821 nan 8.370 nan 0.000 0.429 66 E N -0.839 119.180 120.200 -0.302 0.000 2.130 66 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 66 E C 1.092 177.440 176.600 -0.420 0.000 0.998 66 E CA 1.148 57.267 56.400 -0.468 0.000 0.806 66 E CB -0.032 29.169 29.700 -0.832 0.000 0.738 66 E HN 0.343 nan 8.360 nan 0.000 0.459 67 F N 0.161 120.063 119.950 -0.080 0.000 2.639 67 F HA 0.402 4.929 4.527 -0.000 0.000 0.300 67 F C 0.547 176.438 175.800 0.152 0.000 1.109 67 F CA -0.267 57.696 58.000 -0.063 0.000 1.335 67 F CB -0.171 38.676 39.000 -0.255 0.000 1.014 67 F HN -0.049 nan 8.300 nan 0.000 0.537 68 A N 1.373 124.331 122.820 0.230 0.000 2.425 68 A HA 0.630 4.950 4.320 -0.000 0.000 0.242 68 A C 0.570 178.287 177.584 0.221 0.000 1.077 68 A CA -0.160 51.987 52.037 0.184 0.000 0.781 68 A CB 0.435 19.497 19.000 0.103 0.000 1.020 68 A HN 0.350 nan 8.150 nan 0.000 0.494 69 R N 0.805 121.400 120.500 0.159 0.000 2.740 69 R HA 0.310 4.650 4.340 -0.000 0.000 0.273 69 R C -0.564 175.786 176.300 0.082 0.000 0.998 69 R CA -0.789 55.378 56.100 0.112 0.000 0.900 69 R CB 1.442 31.759 30.300 0.028 0.000 1.223 69 R HN 1.051 nan 8.270 nan 0.000 0.466 70 H N 1.007 120.133 119.070 0.094 0.000 2.757 70 H HA 0.203 4.759 4.556 -0.000 0.000 0.370 70 H C -0.307 175.042 175.328 0.034 0.000 1.172 70 H CA -0.005 56.079 56.048 0.060 0.000 1.426 70 H CB 1.296 31.089 29.762 0.052 0.000 1.438 70 H HN 0.535 nan 8.280 nan 0.000 0.612 71 R N 1.093 121.670 120.500 0.128 0.000 2.543 71 R HA 0.128 4.468 4.340 -0.000 0.000 0.323 71 R C 0.197 176.572 176.300 0.124 0.000 1.002 71 R CA -0.227 55.901 56.100 0.047 0.000 1.106 71 R CB 0.670 30.989 30.300 0.032 0.000 1.280 71 R HN 0.484 nan 8.270 nan 0.000 0.549 72 S N 0.360 116.266 115.700 0.344 0.000 2.584 72 S HA 0.137 4.607 4.470 -0.000 0.000 0.273 72 S C 1.105 175.810 174.600 0.175 0.000 1.311 72 S CA -0.181 58.135 58.200 0.193 0.000 1.034 72 S CB 1.039 64.275 63.200 0.061 0.000 0.939 72 S HN 0.367 nan 8.310 nan 0.000 0.513 73 T N 0.438 115.030 114.554 0.063 0.000 3.058 73 T HA 0.295 4.645 4.350 -0.000 0.000 0.278 73 T C 0.037 174.726 174.700 -0.019 0.000 0.974 73 T CA -0.458 61.663 62.100 0.035 0.000 0.893 73 T CB -0.748 68.121 68.868 0.002 0.000 1.138 73 T HN 0.599 nan 8.240 nan 0.000 0.529 74 N N 1.700 120.379 118.700 -0.035 0.000 2.513 74 N HA 0.357 5.097 4.740 -0.000 0.000 0.268 74 N C -0.802 174.700 175.510 -0.012 0.000 1.180 74 N CA -0.600 52.373 53.050 -0.128 0.000 0.948 74 N CB -0.036 38.423 38.487 -0.047 0.000 1.083 74 N HN 0.119 nan 8.380 nan 0.000 0.455 75 F N 0.878 120.807 119.950 -0.035 0.000 3.048 75 F HA -0.225 4.302 4.527 -0.000 0.000 0.269 75 F C 1.559 177.346 175.800 -0.022 0.000 0.960 75 F CA 0.781 58.761 58.000 -0.033 0.000 0.909 75 F CB -2.215 36.754 39.000 -0.052 0.000 0.837 75 F HN 0.866 nan 8.300 nan 0.000 0.768 76 G N -0.321 108.523 108.800 0.072 0.000 2.212 76 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.267 76 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.267 76 G C 1.120 176.079 174.900 0.099 0.000 1.002 76 G CA 0.386 45.530 45.100 0.073 0.000 0.729 76 G HN 0.637 nan 8.290 nan 0.000 0.517 77 L N 0.622 121.900 121.223 0.091 0.000 2.127 77 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 77 L C 2.654 179.673 176.870 0.248 0.000 1.089 77 L CA 2.242 57.117 54.840 0.059 0.000 0.757 77 L CB -0.246 41.732 42.059 -0.135 0.000 0.899 77 L HN 0.564 nan 8.230 nan 0.000 0.434 78 D N -0.399 120.159 120.400 0.263 0.000 2.392 78 D HA -0.153 4.487 4.640 -0.000 0.000 0.228 78 D C 1.716 178.097 176.300 0.135 0.000 1.003 78 D CA 0.890 55.032 54.000 0.236 0.000 0.917 78 D CB 0.070 40.929 40.800 0.098 0.000 0.890 78 D HN 0.372 nan 8.370 nan 0.000 0.532 79 A N 0.486 123.392 122.820 0.142 0.000 2.014 79 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 79 A C 0.951 178.598 177.584 0.106 0.000 1.163 79 A CA 0.476 52.570 52.037 0.095 0.000 0.652 79 A CB -0.063 18.989 19.000 0.086 0.000 0.808 79 A HN 0.130 nan 8.150 nan 0.000 0.449 80 N N 0.477 119.300 118.700 0.205 0.000 2.531 80 N HA 0.297 5.037 4.740 -0.000 0.000 0.268 80 N C -1.135 174.590 175.510 0.358 0.000 1.023 80 N CA -0.215 52.957 53.050 0.203 0.000 0.896 80 N CB 1.292 39.894 38.487 0.191 0.000 1.233 80 N HN 0.262 nan 8.380 nan 0.000 0.512 81 R N 1.993 122.569 120.500 0.127 0.000 3.057 81 R HA 0.265 4.605 4.340 -0.000 0.000 0.291 81 R C -2.311 173.963 176.300 -0.043 0.000 1.394 81 R CA -1.283 54.850 56.100 0.055 0.000 1.630 81 R CB 0.962 31.136 30.300 -0.209 0.000 1.268 81 R HN 0.366 nan 8.270 nan 0.000 0.621 82 P HA -0.083 nan 4.420 nan 0.000 0.268 82 P C -0.454 176.862 177.300 0.026 0.000 1.204 82 P CA 0.170 63.232 63.100 -0.063 0.000 0.768 82 P CB 0.564 32.208 31.700 -0.093 0.000 0.842 83 Y N 0.990 121.348 120.300 0.096 0.000 2.702 83 Y HA 0.186 4.736 4.550 -0.000 0.000 0.336 83 Y C 2.137 178.091 175.900 0.089 0.000 1.235 83 Y CA 1.234 59.416 58.100 0.137 0.000 1.492 83 Y CB 0.049 38.648 38.460 0.232 0.000 1.308 83 Y HN 0.795 nan 8.280 nan 0.000 0.589 84 G N 1.753 110.707 108.800 0.257 0.000 2.253 84 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.251 84 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.251 84 G C 0.440 175.398 174.900 0.098 0.000 0.998 84 G CA 0.390 45.557 45.100 0.112 0.000 0.621 84 G HN 0.858 nan 8.290 nan 0.000 0.524 85 D N -1.228 119.273 120.400 0.170 0.000 2.792 85 D HA 0.120 4.760 4.640 -0.000 0.000 0.231 85 D C 1.869 178.330 176.300 0.269 0.000 1.160 85 D CA 3.240 57.387 54.000 0.246 0.000 0.697 85 D CB -1.249 39.705 40.800 0.255 0.000 1.070 85 D HN 2.193 nan 8.370 nan 0.000 0.426 86 G N -2.632 106.261 108.800 0.154 0.000 2.175 86 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.244 86 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.244 86 G C 0.225 175.044 174.900 -0.134 0.000 0.982 86 G CA 0.346 45.538 45.100 0.152 0.000 0.641 86 G HN 1.317 nan 8.290 nan 0.000 0.527 87 V N 0.007 119.737 119.914 -0.308 0.000 2.932 87 V HA 0.717 4.837 4.120 -0.000 0.000 0.307 87 V C -0.664 175.328 176.094 -0.170 0.000 1.147 87 V CA -0.511 61.552 62.300 -0.395 0.000 0.951 87 V CB 2.361 33.636 31.823 -0.914 0.000 1.031 87 V HN 0.641 nan 8.190 nan 0.000 0.426 88 V N 5.401 125.271 119.914 -0.073 0.000 2.427 88 V HA 0.799 4.919 4.120 -0.000 0.000 0.286 88 V C 0.279 176.411 176.094 0.064 0.000 1.034 88 V CA 0.151 62.447 62.300 -0.007 0.000 0.893 88 V CB 1.663 33.474 31.823 -0.021 0.000 0.982 88 V HN 1.101 nan 8.190 nan 0.000 0.452 89 T N 1.059 115.678 114.554 0.108 0.000 2.903 89 T HA 0.968 5.318 4.350 -0.000 0.000 0.299 89 T C -0.161 174.644 174.700 0.175 0.000 1.093 89 T CA -0.071 62.121 62.100 0.154 0.000 1.002 89 T CB 2.256 71.169 68.868 0.077 0.000 1.127 89 T HN 1.382 nan 8.240 nan 0.000 0.488 90 G N 0.387 109.300 108.800 0.190 0.000 2.336 90 G HA2 0.507 4.467 3.960 -0.000 0.000 0.286 90 G HA3 0.507 4.467 3.960 -0.000 0.000 0.286 90 G C -2.135 172.807 174.900 0.070 0.000 1.269 90 G CA -0.318 44.756 45.100 -0.042 0.000 0.873 90 G HN 1.517 nan 8.290 nan 0.000 0.494 91 Y N -1.624 118.642 120.300 -0.058 0.000 2.588 91 Y HA 0.915 5.465 4.550 -0.000 0.000 0.343 91 Y C 0.299 176.259 175.900 0.100 0.000 1.065 91 Y CA -0.615 57.507 58.100 0.037 0.000 1.038 91 Y CB 1.441 39.853 38.460 -0.079 0.000 1.297 91 Y HN 1.675 nan 8.280 nan 0.000 0.467 92 G N 0.063 109.086 108.800 0.372 0.000 2.588 92 G HA2 0.564 4.524 3.960 -0.000 0.000 0.281 92 G HA3 0.564 4.524 3.960 -0.000 0.000 0.281 92 G C -1.365 173.672 174.900 0.227 0.000 1.223 92 G CA -0.359 44.902 45.100 0.268 0.000 0.871 92 G HN 1.205 nan 8.290 nan 0.000 0.492 93 T N -2.641 111.999 114.554 0.144 0.000 2.906 93 T HA 0.706 5.056 4.350 -0.000 0.000 0.295 93 T C -1.370 173.364 174.700 0.057 0.000 1.075 93 T CA -0.772 61.386 62.100 0.097 0.000 1.005 93 T CB 2.038 70.952 68.868 0.077 0.000 1.136 93 T HN 0.983 nan 8.240 nan 0.000 0.498 94 V N 2.286 122.219 119.914 0.031 0.000 2.419 94 V HA 0.387 4.507 4.120 -0.000 0.000 0.287 94 V C -0.599 175.487 176.094 -0.013 0.000 1.017 94 V CA -0.645 61.656 62.300 0.001 0.000 0.844 94 V CB 0.962 32.776 31.823 -0.014 0.000 1.011 94 V HN 1.140 nan 8.190 nan 0.000 0.429 95 D N 4.168 124.559 120.400 -0.016 0.000 2.800 95 D HA -0.182 4.458 4.640 -0.000 0.000 0.232 95 D C 1.303 177.604 176.300 0.003 0.000 1.137 95 D CA 1.649 55.637 54.000 -0.019 0.000 0.718 95 D CB -1.003 39.773 40.800 -0.040 0.000 1.084 95 D HN 1.441 nan 8.370 nan 0.000 0.432 96 G N -0.208 108.599 108.800 0.012 0.000 2.162 96 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.260 96 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.260 96 G C 0.272 175.187 174.900 0.025 0.000 0.976 96 G CA 0.652 45.765 45.100 0.023 0.000 0.655 96 G HN 0.521 nan 8.290 nan 0.000 0.533 97 R N 0.942 121.453 120.500 0.019 0.000 2.514 97 R HA 0.488 4.828 4.340 -0.000 0.000 0.301 97 R C -2.447 173.873 176.300 0.034 0.000 0.962 97 R CA -2.047 54.061 56.100 0.014 0.000 0.882 97 R CB 1.993 32.286 30.300 -0.011 0.000 1.143 97 R HN 0.110 nan 8.270 nan 0.000 0.452 98 P HA -0.026 nan 4.420 nan 0.000 0.262 98 P C -0.657 176.695 177.300 0.087 0.000 1.182 98 P CA 0.207 63.352 63.100 0.076 0.000 0.761 98 P CB 0.856 32.579 31.700 0.039 0.000 0.795 99 V N 2.086 122.091 119.914 0.151 0.000 3.087 99 V HA 0.678 4.798 4.120 -0.000 0.000 0.306 99 V C -0.251 175.993 176.094 0.250 0.000 1.187 99 V CA -0.950 61.440 62.300 0.149 0.000 0.999 99 V CB 2.194 34.074 31.823 0.095 0.000 1.049 99 V HN 0.754 nan 8.190 nan 0.000 0.431 100 A N 2.094 125.060 122.820 0.243 0.000 2.350 100 A HA 0.977 5.297 4.320 -0.000 0.000 0.324 100 A C -1.072 176.635 177.584 0.205 0.000 1.118 100 A CA -0.698 51.522 52.037 0.306 0.000 0.783 100 A CB 1.925 21.161 19.000 0.393 0.000 1.236 100 A HN 1.299 nan 8.150 nan 0.000 0.457 101 V N 2.430 122.464 119.914 0.201 0.000 3.147 101 V HA 0.886 5.006 4.120 -0.000 0.000 0.306 101 V C -1.915 174.292 176.094 0.189 0.000 1.209 101 V CA -0.855 61.505 62.300 0.100 0.000 1.023 101 V CB 2.140 33.968 31.823 0.007 0.000 1.059 101 V HN 1.345 nan 8.190 nan 0.000 0.435 102 F N 2.335 122.307 119.950 0.037 0.000 2.591 102 F HA 0.877 5.404 4.527 -0.000 0.000 0.309 102 F C -0.645 175.142 175.800 -0.022 0.000 1.098 102 F CA -0.693 57.309 58.000 0.002 0.000 0.937 102 F CB 2.031 41.036 39.000 0.007 0.000 1.250 102 F HN 0.437 nan 8.300 nan 0.000 0.447 103 S N 2.410 118.207 115.700 0.162 0.000 2.789 103 S HA 0.305 4.775 4.470 -0.000 0.000 0.286 103 S C -1.087 173.566 174.600 0.088 0.000 1.153 103 S CA -0.585 57.649 58.200 0.056 0.000 1.084 103 S CB 0.795 63.962 63.200 -0.055 0.000 1.036 103 S HN 0.762 nan 8.310 nan 0.000 0.484 104 Q N 2.501 122.401 119.800 0.166 0.000 2.311 104 Q HA 0.123 4.463 4.340 -0.000 0.000 0.272 104 Q C -0.606 175.474 176.000 0.134 0.000 1.012 104 Q CA 0.055 55.946 55.803 0.146 0.000 0.891 104 Q CB 0.553 29.480 28.738 0.314 0.000 1.201 104 Q HN 0.501 nan 8.270 nan 0.000 0.391 105 D N 2.428 122.892 120.400 0.107 0.000 2.443 105 D HA 0.041 4.681 4.640 -0.000 0.000 0.221 105 D C -0.164 176.243 176.300 0.179 0.000 1.097 105 D CA -0.384 53.684 54.000 0.114 0.000 0.865 105 D CB 0.329 41.154 40.800 0.042 0.000 1.034 105 D HN 0.491 nan 8.370 nan 0.000 0.511 106 F N 2.599 122.583 119.950 0.058 0.000 2.269 106 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 106 F C 2.387 178.205 175.800 0.030 0.000 1.082 106 F CA 1.723 59.757 58.000 0.057 0.000 1.360 106 F CB 0.008 39.030 39.000 0.036 0.000 1.041 106 F HN 0.398 nan 8.300 nan 0.000 0.512 107 T N -2.272 112.333 114.554 0.085 0.000 3.163 107 T HA 0.070 4.420 4.350 -0.000 0.000 0.260 107 T C 0.431 175.065 174.700 -0.110 0.000 1.156 107 T CA 0.452 62.541 62.100 -0.018 0.000 1.072 107 T CB -0.865 68.005 68.868 0.003 0.000 0.937 107 T HN -0.090 nan 8.240 nan 0.000 0.528 108 V N 2.332 122.181 119.914 -0.109 0.000 2.326 108 V HA 0.441 4.561 4.120 -0.000 0.000 0.281 108 V C -0.378 175.654 176.094 -0.104 0.000 1.015 108 V CA -1.046 61.137 62.300 -0.195 0.000 0.823 108 V CB -0.076 31.677 31.823 -0.118 0.000 1.009 108 V HN 0.407 nan 8.190 nan 0.000 0.436 109 F N 3.227 123.119 119.950 -0.097 0.000 3.091 109 F HA -0.224 4.303 4.527 -0.000 0.000 0.288 109 F C 1.686 177.359 175.800 -0.212 0.000 0.907 109 F CA 1.229 59.152 58.000 -0.127 0.000 1.028 109 F CB -1.710 37.234 39.000 -0.093 0.000 1.022 109 F HN 0.934 nan 8.300 nan 0.000 0.665 110 G N -1.008 107.654 108.800 -0.231 0.000 2.212 110 G HA2 0.099 4.059 3.960 -0.000 0.000 0.267 110 G HA3 0.099 4.059 3.960 -0.000 0.000 0.267 110 G C 1.772 176.363 174.900 -0.515 0.000 1.002 110 G CA 1.263 45.975 45.100 -0.646 0.000 0.729 110 G HN 2.228 nan 8.290 nan 0.000 0.517 111 G N -1.565 107.159 108.800 -0.127 0.000 2.184 111 G HA2 0.141 4.100 3.960 -0.000 0.000 0.264 111 G HA3 0.141 4.100 3.960 -0.000 0.000 0.264 111 G C 0.915 175.894 174.900 0.131 0.000 0.975 111 G CA 1.168 46.359 45.100 0.152 0.000 0.642 111 G HN 2.341 nan 8.290 nan 0.000 0.536 112 A N 1.048 123.863 122.820 -0.008 0.000 2.566 112 A HA 0.461 4.781 4.320 -0.000 0.000 0.245 112 A C 0.942 178.258 177.584 -0.446 0.000 1.056 112 A CA 0.264 52.217 52.037 -0.141 0.000 0.757 112 A CB 0.300 19.221 19.000 -0.132 0.000 0.979 112 A HN 1.405 nan 8.150 nan 0.000 0.508 113 L N 4.009 124.857 121.223 -0.626 0.000 2.477 113 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 113 L C 0.610 177.012 176.870 -0.780 0.000 1.157 113 L CA 1.198 55.343 54.840 -1.158 0.000 0.889 113 L CB -0.190 41.337 42.059 -0.886 0.000 1.158 113 L HN 0.783 nan 8.230 nan 0.000 0.473 114 G N 3.808 112.182 108.800 -0.709 0.000 2.932 114 G HA2 0.286 4.246 3.960 -0.000 0.000 0.283 114 G HA3 0.286 4.246 3.960 -0.000 0.000 0.283 114 G C 0.348 175.111 174.900 -0.228 0.000 1.336 114 G CA -0.110 44.780 45.100 -0.351 0.000 1.056 114 G HN 0.754 nan 8.290 nan 0.000 0.522 115 E N -1.202 118.916 120.200 -0.137 0.000 2.017 115 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 115 E C 2.486 179.076 176.600 -0.016 0.000 0.997 115 E CA 1.448 57.798 56.400 -0.084 0.000 0.804 115 E CB -0.096 29.575 29.700 -0.049 0.000 0.757 115 E HN 0.178 nan 8.360 nan 0.000 0.448 116 V N 0.767 120.710 119.914 0.048 0.000 2.427 116 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 116 V C 2.153 178.315 176.094 0.112 0.000 1.051 116 V CA 1.831 64.179 62.300 0.081 0.000 1.048 116 V CB -0.740 31.156 31.823 0.121 0.000 0.666 116 V HN 0.408 nan 8.190 nan 0.000 0.456 117 Y N 2.215 122.494 120.300 -0.034 0.000 2.097 117 Y HA -0.150 4.400 4.550 -0.000 0.000 0.282 117 Y C 2.366 178.192 175.900 -0.124 0.000 1.152 117 Y CA 1.651 59.718 58.100 -0.055 0.000 1.136 117 Y CB -1.026 37.401 38.460 -0.056 0.000 0.975 117 Y HN 0.187 nan 8.280 nan 0.000 0.498 118 G N -0.620 108.272 108.800 0.153 0.000 2.422 118 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 118 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 118 G C 1.534 176.404 174.900 -0.050 0.000 1.146 118 G CA 0.835 45.919 45.100 -0.027 0.000 0.769 118 G HN 0.510 nan 8.290 nan 0.000 0.547 119 Q N -0.089 119.697 119.800 -0.024 0.000 2.167 119 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 119 Q C 2.583 178.571 176.000 -0.020 0.000 0.970 119 Q CA 1.102 56.892 55.803 -0.021 0.000 0.855 119 Q CB -0.045 28.692 28.738 -0.002 0.000 0.911 119 Q HN 0.436 nan 8.270 nan 0.000 0.438 120 K N 0.234 120.620 120.400 -0.022 0.000 2.057 120 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 120 K C 1.937 178.499 176.600 -0.064 0.000 1.049 120 K CA 1.062 57.326 56.287 -0.038 0.000 0.931 120 K CB -0.059 32.405 32.500 -0.060 0.000 0.714 120 K HN 0.231 nan 8.250 nan 0.000 0.440 121 I N 0.719 121.206 120.570 -0.138 0.000 2.394 121 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 121 I C 2.151 178.207 176.117 -0.101 0.000 1.136 121 I CA 0.865 62.017 61.300 -0.247 0.000 1.425 121 I CB -0.167 37.529 38.000 -0.506 0.000 1.079 121 I HN -0.065 nan 8.210 nan 0.000 0.425 122 V N 1.138 121.016 119.914 -0.059 0.000 2.427 122 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 122 V C 2.540 178.660 176.094 0.043 0.000 1.051 122 V CA 1.848 64.145 62.300 -0.006 0.000 1.048 122 V CB -0.632 31.183 31.823 -0.014 0.000 0.666 122 V HN 0.433 nan 8.190 nan 0.000 0.456 123 K N 0.123 120.547 120.400 0.039 0.000 2.026 123 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 123 K C 2.046 178.726 176.600 0.134 0.000 1.048 123 K CA 1.822 58.153 56.287 0.074 0.000 0.929 123 K CB -0.225 32.301 32.500 0.044 0.000 0.713 123 K HN 0.310 nan 8.250 nan 0.000 0.439 124 V N 1.501 121.488 119.914 0.122 0.000 2.407 124 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 124 V C 2.371 178.627 176.094 0.270 0.000 1.055 124 V CA 1.898 64.318 62.300 0.200 0.000 1.049 124 V CB -0.353 31.598 31.823 0.214 0.000 0.662 124 V HN 0.408 nan 8.190 nan 0.000 0.455 125 M N -0.581 119.140 119.600 0.202 0.000 2.156 125 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 125 M C 1.936 178.340 176.300 0.173 0.000 1.067 125 M CA 1.621 57.037 55.300 0.194 0.000 1.131 125 M CB -0.547 32.143 32.600 0.149 0.000 1.368 125 M HN 0.299 nan 8.290 nan 0.000 0.416 126 D N 0.084 120.578 120.400 0.156 0.000 2.178 126 D HA -0.136 4.504 4.640 -0.000 0.000 0.202 126 D C 1.666 178.056 176.300 0.149 0.000 0.974 126 D CA 1.112 55.191 54.000 0.131 0.000 0.841 126 D CB -0.313 40.553 40.800 0.110 0.000 0.953 126 D HN 0.281 nan 8.370 nan 0.000 0.478 127 F N 1.827 121.809 119.950 0.054 0.000 2.102 127 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 127 F C 2.214 178.033 175.800 0.031 0.000 1.105 127 F CA 1.554 59.576 58.000 0.036 0.000 1.239 127 F CB -0.157 38.875 39.000 0.053 0.000 0.991 127 F HN -0.067 nan 8.300 nan 0.000 0.474 128 A N 0.226 123.140 122.820 0.157 0.000 1.930 128 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 128 A C 2.071 179.635 177.584 -0.033 0.000 1.175 128 A CA 1.649 53.711 52.037 0.043 0.000 0.627 128 A CB -1.186 17.922 19.000 0.180 0.000 0.815 128 A HN 0.489 nan 8.150 nan 0.000 0.443 129 L N 0.159 121.395 121.223 0.021 0.000 2.056 129 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 129 L C 2.290 179.138 176.870 -0.037 0.000 1.078 129 L CA 2.526 57.379 54.840 0.021 0.000 0.749 129 L CB -0.561 41.537 42.059 0.065 0.000 0.901 129 L HN 0.487 nan 8.230 nan 0.000 0.433 130 K N -1.109 119.243 120.400 -0.080 0.000 2.097 130 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 130 K C 1.547 178.035 176.600 -0.186 0.000 1.049 130 K CA 1.867 58.084 56.287 -0.117 0.000 0.933 130 K CB -0.135 32.293 32.500 -0.120 0.000 0.717 130 K HN 0.567 nan 8.250 nan 0.000 0.442 131 T N -3.617 110.751 114.554 -0.310 0.000 3.040 131 T HA 0.225 4.575 4.350 -0.000 0.000 0.250 131 T C 0.898 175.484 174.700 -0.190 0.000 1.058 131 T CA 0.289 62.200 62.100 -0.315 0.000 0.988 131 T CB 0.485 69.013 68.868 -0.568 0.000 0.993 131 T HN 0.339 nan 8.240 nan 0.000 0.519 132 G N 1.538 110.260 108.800 -0.129 0.000 2.326 132 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.286 132 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.286 132 G C 0.146 175.022 174.900 -0.039 0.000 1.096 132 G CA -0.129 44.940 45.100 -0.053 0.000 1.003 132 G HN 1.415 nan 8.290 nan 0.000 0.503 133 C N -2.108 117.172 119.300 -0.034 0.000 2.779 133 C HA 0.978 5.438 4.460 -0.000 0.000 0.314 133 C C -2.129 172.883 174.990 0.037 0.000 1.231 133 C CA -2.653 56.364 59.018 -0.001 0.000 1.652 133 C CB 1.911 29.657 27.740 0.010 0.000 2.198 133 C HN 0.261 nan 8.230 nan 0.000 0.483 134 P HA 0.332 nan 4.420 nan 0.000 0.272 134 P C -0.892 176.454 177.300 0.077 0.000 1.230 134 P CA -0.100 63.014 63.100 0.024 0.000 0.788 134 P CB 0.489 32.172 31.700 -0.028 0.000 0.949 135 V N 2.813 122.780 119.914 0.087 0.000 2.409 135 V HA 0.257 4.377 4.120 -0.000 0.000 0.291 135 V C -0.119 176.006 176.094 0.051 0.000 1.020 135 V CA -0.561 61.810 62.300 0.119 0.000 0.848 135 V CB 1.992 33.927 31.823 0.187 0.000 0.990 135 V HN 0.186 nan 8.190 nan 0.000 0.430 136 V N 4.146 124.053 119.914 -0.012 0.000 2.347 136 V HA 0.688 4.808 4.120 -0.000 0.000 0.280 136 V C 0.700 176.567 176.094 -0.378 0.000 1.021 136 V CA -0.278 61.954 62.300 -0.113 0.000 0.847 136 V CB 1.637 33.411 31.823 -0.081 0.000 0.990 136 V HN 0.945 nan 8.190 nan 0.000 0.444 137 G N 5.193 113.683 108.800 -0.518 0.000 2.368 137 G HA2 0.697 4.657 3.960 -0.000 0.000 0.320 137 G HA3 0.697 4.657 3.960 -0.000 0.000 0.320 137 G C -0.737 173.786 174.900 -0.629 0.000 1.158 137 G CA -0.493 43.832 45.100 -1.291 0.000 0.912 137 G HN 0.650 nan 8.290 nan 0.000 0.456 138 I N 2.348 122.575 120.570 -0.571 0.000 2.328 138 I HA 0.181 4.351 4.170 -0.000 0.000 0.287 138 I C -0.641 175.484 176.117 0.013 0.000 1.012 138 I CA -0.781 60.416 61.300 -0.172 0.000 1.195 138 I CB 1.301 39.226 38.000 -0.125 0.000 1.350 138 I HN 0.314 nan 8.210 nan 0.000 0.464 139 N N 4.977 123.723 118.700 0.077 0.000 2.456 139 N HA 0.448 5.187 4.740 -0.000 0.000 0.288 139 N C -0.769 174.817 175.510 0.128 0.000 1.059 139 N CA -0.466 52.688 53.050 0.173 0.000 0.946 139 N CB 1.154 39.748 38.487 0.179 0.000 1.150 139 N HN 0.431 nan 8.380 nan 0.000 0.479 140 D N 0.339 120.847 120.400 0.181 0.000 2.881 140 D HA 0.103 4.743 4.640 -0.000 0.000 0.238 140 D C -1.642 174.851 176.300 0.322 0.000 1.368 140 D CA -0.089 54.011 54.000 0.167 0.000 0.871 140 D CB 0.164 41.041 40.800 0.129 0.000 1.516 140 D HN 0.311 nan 8.370 nan 0.000 0.544 141 S N 0.011 115.878 115.700 0.279 0.000 2.538 141 S HA 0.634 5.104 4.470 -0.000 0.000 0.288 141 S C 1.273 176.005 174.600 0.220 0.000 1.108 141 S CA -0.020 58.352 58.200 0.286 0.000 0.971 141 S CB 1.453 64.789 63.200 0.226 0.000 1.041 141 S HN 0.257 nan 8.310 nan 0.000 0.483 142 G N 2.119 111.038 108.800 0.199 0.000 2.471 142 G HA2 0.445 4.405 3.960 -0.000 0.000 0.219 142 G HA3 0.445 4.405 3.960 -0.000 0.000 0.219 142 G C 0.892 175.820 174.900 0.047 0.000 1.125 142 G CA 0.569 45.751 45.100 0.136 0.000 0.775 142 G HN 1.541 nan 8.290 nan 0.000 0.548 143 G N -1.352 107.467 108.800 0.032 0.000 2.260 143 G HA2 0.489 4.449 3.960 -0.000 0.000 0.250 143 G HA3 0.489 4.449 3.960 -0.000 0.000 0.250 143 G C -0.469 174.457 174.900 0.044 0.000 1.340 143 G CA -0.196 44.919 45.100 0.025 0.000 1.056 143 G HN 1.068 nan 8.290 nan 0.000 0.471 144 A N -0.089 122.775 122.820 0.073 0.000 2.388 144 A HA 0.665 4.984 4.320 -0.000 0.000 0.257 144 A C 0.854 178.388 177.584 -0.083 0.000 1.095 144 A CA 0.313 52.381 52.037 0.051 0.000 0.791 144 A CB 0.298 19.380 19.000 0.138 0.000 1.029 144 A HN 0.879 nan 8.150 nan 0.000 0.489 145 R N 3.333 123.724 120.500 -0.182 0.000 2.878 145 R HA 0.178 4.518 4.340 -0.000 0.000 0.239 145 R C 0.578 176.763 176.300 -0.191 0.000 1.515 145 R CA -0.168 55.795 56.100 -0.229 0.000 1.210 145 R CB -0.693 29.406 30.300 -0.336 0.000 1.209 145 R HN 0.843 nan 8.270 nan 0.000 0.610 146 I N 2.173 122.651 120.570 -0.154 0.000 2.231 146 I HA -0.462 3.708 4.170 -0.000 0.000 0.251 146 I C 1.770 177.802 176.117 -0.142 0.000 1.076 146 I CA 1.538 62.752 61.300 -0.142 0.000 1.347 146 I CB -0.219 37.676 38.000 -0.175 0.000 1.038 146 I HN 0.584 nan 8.210 nan 0.000 0.429 147 Q N 0.764 120.458 119.800 -0.177 0.000 2.112 147 Q HA -0.223 4.116 4.340 -0.000 0.000 0.206 147 Q C 1.931 177.962 176.000 0.052 0.000 0.987 147 Q CA 1.639 57.425 55.803 -0.029 0.000 0.858 147 Q CB -0.282 28.399 28.738 -0.095 0.000 0.905 147 Q HN 0.548 nan 8.270 nan 0.000 0.420 148 E N -0.255 119.898 120.200 -0.078 0.000 2.516 148 E HA 0.075 4.425 4.350 -0.000 0.000 0.199 148 E C 0.918 177.502 176.600 -0.027 0.000 1.069 148 E CA 0.127 56.487 56.400 -0.067 0.000 0.876 148 E CB -0.098 29.520 29.700 -0.137 0.000 0.843 148 E HN 0.399 nan 8.360 nan 0.000 0.530 149 G N 1.040 109.839 108.800 -0.002 0.000 2.566 149 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.280 149 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.280 149 G C 1.075 175.970 174.900 -0.008 0.000 1.225 149 G CA 0.685 45.793 45.100 0.014 0.000 0.966 149 G HN 0.445 nan 8.290 nan 0.000 0.560 150 V N -1.465 118.450 119.914 0.002 0.000 2.982 150 V HA 0.199 4.319 4.120 -0.000 0.000 0.265 150 V C 3.032 179.113 176.094 -0.022 0.000 1.122 150 V CA 2.616 64.916 62.300 0.000 0.000 1.143 150 V CB -1.530 30.297 31.823 0.007 0.000 0.726 150 V HN 2.208 nan 8.190 nan 0.000 0.507 151 A N 1.957 124.754 122.820 -0.039 0.000 1.940 151 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 151 A C 2.616 180.132 177.584 -0.112 0.000 1.176 151 A CA 2.578 54.577 52.037 -0.064 0.000 0.631 151 A CB -1.012 17.950 19.000 -0.063 0.000 0.814 151 A HN 0.969 nan 8.150 nan 0.000 0.446 152 S N -0.005 115.614 115.700 -0.135 0.000 2.402 152 S HA -0.053 4.417 4.470 -0.000 0.000 0.229 152 S C 1.866 176.356 174.600 -0.183 0.000 1.021 152 S CA 1.284 59.337 58.200 -0.247 0.000 0.974 152 S CB -0.719 62.346 63.200 -0.226 0.000 0.800 152 S HN 0.461 nan 8.310 nan 0.000 0.484 153 L N 1.435 122.651 121.223 -0.012 0.000 2.046 153 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 153 L C 3.022 179.893 176.870 0.003 0.000 1.077 153 L CA 1.288 56.179 54.840 0.084 0.000 0.747 153 L CB -1.363 40.736 42.059 0.067 0.000 0.896 153 L HN 0.535 nan 8.230 nan 0.000 0.432 154 G N -0.323 108.448 108.800 -0.047 0.000 2.418 154 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 154 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 154 G C 1.794 176.625 174.900 -0.114 0.000 1.158 154 G CA 0.829 45.893 45.100 -0.061 0.000 0.771 154 G HN 0.461 nan 8.290 nan 0.000 0.545 155 A N 0.183 122.893 122.820 -0.183 0.000 1.883 155 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 155 A C 2.237 179.639 177.584 -0.303 0.000 1.186 155 A CA 1.663 53.551 52.037 -0.247 0.000 0.624 155 A CB -0.712 18.088 19.000 -0.333 0.000 0.822 155 A HN 0.365 nan 8.150 nan 0.000 0.444 156 Y N 0.189 120.281 120.300 -0.347 0.000 2.128 156 Y HA -0.130 4.420 4.550 -0.000 0.000 0.284 156 Y C 2.840 178.144 175.900 -0.995 0.000 1.154 156 Y CA 0.913 58.606 58.100 -0.677 0.000 1.149 156 Y CB -1.200 36.861 38.460 -0.666 0.000 0.976 156 Y HN 0.307 nan 8.280 nan 0.000 0.505 157 G N -0.296 108.268 108.800 -0.393 0.000 2.446 157 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 157 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 157 G C 1.615 176.456 174.900 -0.098 0.000 1.168 157 G CA 1.068 46.057 45.100 -0.184 0.000 0.771 157 G HN 0.274 nan 8.290 nan 0.000 0.551 158 E N 0.432 120.565 120.200 -0.112 0.000 2.118 158 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 158 E C 2.585 179.152 176.600 -0.056 0.000 0.992 158 E CA 0.557 56.915 56.400 -0.070 0.000 0.804 158 E CB -0.198 29.459 29.700 -0.071 0.000 0.741 158 E HN 0.542 nan 8.360 nan 0.000 0.458 159 I N 0.291 120.803 120.570 -0.098 0.000 2.286 159 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 159 I C 2.122 178.331 176.117 0.153 0.000 1.104 159 I CA 0.653 61.947 61.300 -0.011 0.000 1.397 159 I CB -0.292 37.681 38.000 -0.045 0.000 1.072 159 I HN -0.028 nan 8.210 nan 0.000 0.417 160 F N 1.070 121.055 119.950 0.058 0.000 2.120 160 F HA -0.226 4.301 4.527 -0.000 0.000 0.300 160 F C 2.674 178.462 175.800 -0.020 0.000 1.095 160 F CA 1.285 59.310 58.000 0.042 0.000 1.249 160 F CB -1.201 37.826 39.000 0.045 0.000 0.995 160 F HN 0.054 nan 8.300 nan 0.000 0.480 161 R N 0.539 121.112 120.500 0.123 0.000 2.081 161 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 161 R C 2.355 178.522 176.300 -0.222 0.000 1.131 161 R CA 1.182 57.212 56.100 -0.117 0.000 0.960 161 R CB -0.055 30.132 30.300 -0.189 0.000 0.856 161 R HN 0.123 nan 8.270 nan 0.000 0.436 162 R N 0.487 120.944 120.500 -0.071 0.000 2.092 162 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 162 R C 1.929 178.283 176.300 0.091 0.000 1.119 162 R CA 1.531 57.635 56.100 0.006 0.000 0.970 162 R CB -1.078 29.255 30.300 0.055 0.000 0.864 162 R HN 0.475 nan 8.270 nan 0.000 0.440 163 N N -0.225 118.550 118.700 0.125 0.000 2.104 163 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 163 N C 1.505 177.090 175.510 0.125 0.000 1.024 163 N CA 1.888 55.028 53.050 0.150 0.000 0.853 163 N CB -0.121 38.475 38.487 0.181 0.000 1.008 163 N HN 0.167 nan 8.380 nan 0.000 0.424 164 T N -0.212 114.404 114.554 0.104 0.000 2.701 164 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 164 T C 1.431 176.257 174.700 0.210 0.000 1.040 164 T CA 1.048 63.219 62.100 0.119 0.000 1.147 164 T CB -0.464 68.469 68.868 0.108 0.000 0.865 164 T HN 0.407 nan 8.240 nan 0.000 0.426 165 H N 0.474 119.578 119.070 0.055 0.000 2.421 165 H HA 0.093 4.649 4.556 -0.000 0.000 0.298 165 H C 2.319 177.679 175.328 0.052 0.000 1.087 165 H CA 0.715 56.792 56.048 0.048 0.000 1.330 165 H CB 0.050 29.844 29.762 0.052 0.000 1.388 165 H HN 0.351 nan 8.280 nan 0.000 0.526 166 A N 0.682 123.622 122.820 0.201 0.000 2.218 166 A HA 0.005 4.325 4.320 -0.000 0.000 0.209 166 A C 1.272 178.943 177.584 0.145 0.000 1.168 166 A CA -0.056 52.075 52.037 0.158 0.000 0.804 166 A CB 0.090 19.187 19.000 0.161 0.000 0.834 166 A HN 0.167 nan 8.150 nan 0.000 0.482 167 S N 0.188 115.960 115.700 0.121 0.000 2.555 167 S HA 0.373 4.843 4.470 -0.000 0.000 0.293 167 S C 1.379 175.989 174.600 0.016 0.000 1.248 167 S CA 0.895 59.147 58.200 0.087 0.000 1.096 167 S CB -0.418 62.814 63.200 0.053 0.000 0.881 167 S HN 1.772 nan 8.310 nan 0.000 0.498 168 G N 2.984 111.775 108.800 -0.014 0.000 2.159 168 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.256 168 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.256 168 G C 0.539 175.219 174.900 -0.367 0.000 0.977 168 G CA 0.307 45.184 45.100 -0.373 0.000 0.652 168 G HN 0.812 nan 8.290 nan 0.000 0.531 169 V N 0.281 120.190 119.914 -0.007 0.000 2.806 169 V HA 0.421 4.541 4.120 -0.000 0.000 0.239 169 V C 1.167 177.448 176.094 0.311 0.000 1.113 169 V CA 1.674 64.019 62.300 0.076 0.000 1.137 169 V CB 0.131 31.998 31.823 0.073 0.000 0.865 169 V HN 0.713 nan 8.190 nan 0.000 0.482 170 I N -1.946 118.857 120.570 0.388 0.000 2.582 170 I HA 0.601 4.770 4.170 -0.000 0.000 0.292 170 I C -3.114 173.154 176.117 0.253 0.000 1.066 170 I CA -2.640 58.849 61.300 0.316 0.000 1.053 170 I CB 2.064 40.154 38.000 0.151 0.000 1.241 170 I HN -0.074 nan 8.210 nan 0.000 0.421 171 P HA 0.079 nan 4.420 nan 0.000 0.265 171 P C -1.275 176.017 177.300 -0.013 0.000 1.187 171 P CA 0.225 63.122 63.100 -0.338 0.000 0.766 171 P CB 0.374 31.783 31.700 -0.486 0.000 0.820 172 Q N 2.351 122.189 119.800 0.062 0.000 2.320 172 Q HA 0.473 4.813 4.340 -0.000 0.000 0.268 172 Q C -1.018 175.053 176.000 0.119 0.000 1.023 172 Q CA -0.624 55.243 55.803 0.107 0.000 0.744 172 Q CB 1.290 30.113 28.738 0.141 0.000 1.246 172 Q HN 0.307 nan 8.270 nan 0.000 0.462 173 I N 1.428 122.062 120.570 0.107 0.000 2.378 173 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 173 I C -0.179 175.990 176.117 0.087 0.000 0.992 173 I CA -0.124 61.258 61.300 0.137 0.000 1.154 173 I CB 2.099 40.173 38.000 0.123 0.000 1.315 173 I HN 0.368 nan 8.210 nan 0.000 0.448 174 S N 6.694 122.465 115.700 0.119 0.000 2.422 174 S HA 0.504 4.974 4.470 -0.000 0.000 0.308 174 S C -0.324 174.322 174.600 0.077 0.000 1.097 174 S CA -0.534 57.716 58.200 0.084 0.000 1.099 174 S CB 0.617 63.889 63.200 0.121 0.000 0.976 174 S HN 0.456 nan 8.310 nan 0.000 0.471 175 L N 5.283 126.517 121.223 0.018 0.000 2.272 175 L HA 0.450 4.790 4.340 -0.000 0.000 0.284 175 L C -1.074 175.809 176.870 0.021 0.000 1.045 175 L CA -0.533 54.323 54.840 0.027 0.000 0.842 175 L CB 0.625 42.681 42.059 -0.005 0.000 1.224 175 L HN 0.374 nan 8.230 nan 0.000 0.430 176 V N 6.118 126.053 119.914 0.035 0.000 2.320 176 V HA 0.103 4.223 4.120 -0.000 0.000 0.265 176 V C 0.674 176.773 176.094 0.008 0.000 1.048 176 V CA -0.383 61.933 62.300 0.026 0.000 0.865 176 V CB 1.170 33.005 31.823 0.020 0.000 1.043 176 V HN 0.635 nan 8.190 nan 0.000 0.474 177 V N 1.906 121.824 119.914 0.006 0.000 2.887 177 V HA 0.922 5.042 4.120 -0.000 0.000 0.370 177 V C 0.549 176.625 176.094 -0.029 0.000 1.322 177 V CA 0.414 62.707 62.300 -0.011 0.000 1.267 177 V CB -0.203 31.615 31.823 -0.008 0.000 1.344 177 V HN 0.890 nan 8.190 nan 0.000 0.573 178 G N 0.299 109.086 108.800 -0.021 0.000 2.364 178 G HA2 0.481 4.441 3.960 -0.000 0.000 0.286 178 G HA3 0.481 4.441 3.960 -0.000 0.000 0.286 178 G C -3.586 171.312 174.900 -0.003 0.000 1.241 178 G CA -0.667 44.398 45.100 -0.057 0.000 0.887 178 G HN 0.166 nan 8.290 nan 0.000 0.484 179 P HA 0.480 nan 4.420 nan 0.000 0.274 179 P C -0.671 176.611 177.300 -0.030 0.000 1.231 179 P CA -0.233 62.859 63.100 -0.014 0.000 0.790 179 P CB 1.489 33.190 31.700 0.001 0.000 0.951 180 C N 3.023 122.227 119.300 -0.160 0.000 3.027 180 C HA 0.761 5.221 4.460 -0.000 0.000 0.350 180 C C -0.685 174.054 174.990 -0.418 0.000 1.042 180 C CA 0.017 58.935 59.018 -0.166 0.000 1.350 180 C CB -1.029 26.653 27.740 -0.097 0.000 1.809 180 C HN 0.667 nan 8.230 nan 0.000 0.513 181 A N 4.016 126.584 122.820 -0.420 0.000 2.384 181 A HA 0.995 5.315 4.320 -0.000 0.000 0.312 181 A C 0.608 177.994 177.584 -0.330 0.000 1.113 181 A CA 0.649 52.329 52.037 -0.595 0.000 0.779 181 A CB 1.022 19.637 19.000 -0.643 0.000 1.307 181 A HN 2.695 nan 8.150 nan 0.000 0.436 182 G N 0.358 108.993 108.800 -0.276 0.000 2.525 182 G HA2 0.133 4.093 3.960 -0.000 0.000 0.248 182 G HA3 0.133 4.093 3.960 -0.000 0.000 0.248 182 G C 1.171 175.875 174.900 -0.326 0.000 1.238 182 G CA 0.570 45.544 45.100 -0.211 0.000 0.926 182 G HN 2.039 nan 8.290 nan 0.000 0.574 183 G N -0.005 108.603 108.800 -0.319 0.000 2.448 183 G HA2 0.256 4.216 3.960 -0.000 0.000 0.219 183 G HA3 0.256 4.216 3.960 -0.000 0.000 0.219 183 G C 2.186 176.920 174.900 -0.277 0.000 1.127 183 G CA 2.813 47.753 45.100 -0.267 0.000 0.766 183 G HN 2.040 nan 8.290 nan 0.000 0.552 184 A N 0.879 123.381 122.820 -0.529 0.000 1.971 184 A HA -0.152 4.168 4.320 -0.000 0.000 0.222 184 A C 2.728 180.266 177.584 -0.076 0.000 1.182 184 A CA 2.802 54.659 52.037 -0.300 0.000 0.649 184 A CB -0.969 17.926 19.000 -0.174 0.000 0.818 184 A HN 1.064 nan 8.150 nan 0.000 0.458 185 V N -4.042 115.719 119.914 -0.254 0.000 2.688 185 V HA -0.252 3.868 4.120 -0.000 0.000 0.256 185 V C 2.142 178.125 176.094 -0.185 0.000 1.084 185 V CA 1.992 64.135 62.300 -0.263 0.000 1.103 185 V CB -1.394 30.187 31.823 -0.403 0.000 0.688 185 V HN 0.528 nan 8.190 nan 0.000 0.480 186 Y N 0.986 121.218 120.300 -0.114 0.000 2.439 186 Y HA 0.053 4.603 4.550 -0.000 0.000 0.292 186 Y C 3.050 178.830 175.900 -0.200 0.000 1.130 186 Y CA 0.791 58.715 58.100 -0.293 0.000 1.254 186 Y CB -0.940 37.095 38.460 -0.707 0.000 1.000 186 Y HN 0.371 nan 8.280 nan 0.000 0.554 187 S N 0.242 116.097 115.700 0.258 0.000 2.343 187 S HA -0.103 4.367 4.470 -0.000 0.000 0.219 187 S C -0.432 174.293 174.600 0.208 0.000 1.033 187 S CA 1.381 59.789 58.200 0.347 0.000 1.014 187 S CB -1.084 62.398 63.200 0.470 0.000 0.915 187 S HN 0.186 nan 8.310 nan 0.000 0.435 188 P HA 0.008 nan 4.420 nan 0.000 0.216 188 P C 1.421 178.780 177.300 0.098 0.000 1.150 188 P CA 1.514 64.693 63.100 0.133 0.000 0.837 188 P CB -0.225 31.530 31.700 0.093 0.000 0.786 189 A N -0.372 122.490 122.820 0.071 0.000 1.940 189 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 189 A C 2.022 179.633 177.584 0.044 0.000 1.176 189 A CA 1.563 53.632 52.037 0.054 0.000 0.631 189 A CB -1.450 17.598 19.000 0.080 0.000 0.814 189 A HN 0.066 nan 8.150 nan 0.000 0.446 190 I N 0.821 121.415 120.570 0.041 0.000 2.439 190 I HA -0.072 4.098 4.170 -0.000 0.000 0.251 190 I C 1.660 177.811 176.117 0.056 0.000 1.139 190 I CA 1.262 62.579 61.300 0.028 0.000 1.438 190 I CB -2.087 35.928 38.000 0.026 0.000 1.085 190 I HN 0.452 nan 8.210 nan 0.000 0.427 191 T N -0.649 113.957 114.554 0.088 0.000 2.795 191 T HA -0.015 4.335 4.350 -0.000 0.000 0.314 191 T C 1.033 175.746 174.700 0.021 0.000 1.069 191 T CA -0.282 61.872 62.100 0.089 0.000 1.071 191 T CB 1.048 69.991 68.868 0.124 0.000 0.988 191 T HN 0.180 nan 8.240 nan 0.000 0.543 192 D N 0.060 120.440 120.400 -0.034 0.000 2.183 192 D HA 0.060 4.700 4.640 -0.000 0.000 0.203 192 D C -0.107 175.745 176.300 -0.746 0.000 0.969 192 D CA 1.234 55.048 54.000 -0.309 0.000 0.842 192 D CB -0.009 40.642 40.800 -0.249 0.000 0.957 192 D HN 0.498 nan 8.370 nan 0.000 0.484 193 F N -0.199 119.678 119.950 -0.121 0.000 2.588 193 F HA 0.261 4.788 4.527 -0.000 0.000 0.314 193 F C -0.241 175.571 175.800 0.019 0.000 1.134 193 F CA -0.745 57.053 58.000 -0.337 0.000 0.961 193 F CB 2.284 41.203 39.000 -0.135 0.000 1.239 193 F HN -0.489 nan 8.300 nan 0.000 0.448 194 T N 3.055 117.892 114.554 0.471 0.000 2.791 194 T HA 0.492 4.842 4.350 -0.000 0.000 0.288 194 T C -1.170 173.712 174.700 0.304 0.000 0.999 194 T CA -0.534 61.773 62.100 0.345 0.000 0.952 194 T CB 1.482 70.506 68.868 0.261 0.000 0.938 194 T HN 0.438 nan 8.240 nan 0.000 0.444 195 V N 6.289 126.324 119.914 0.203 0.000 2.398 195 V HA 0.687 4.807 4.120 -0.000 0.000 0.286 195 V C -0.674 175.453 176.094 0.055 0.000 1.026 195 V CA -0.614 61.765 62.300 0.133 0.000 0.868 195 V CB 1.115 33.041 31.823 0.172 0.000 0.982 195 V HN 0.874 nan 8.190 nan 0.000 0.443 196 M N 5.517 125.109 119.600 -0.013 0.000 2.724 196 M HA 0.626 5.106 4.480 -0.000 0.000 0.310 196 M C -1.148 175.099 176.300 -0.089 0.000 1.217 196 M CA -0.975 54.299 55.300 -0.043 0.000 0.894 196 M CB 2.337 34.908 32.600 -0.047 0.000 1.719 196 M HN 0.367 nan 8.290 nan 0.000 0.479 197 V N 0.686 120.552 119.914 -0.080 0.000 2.459 197 V HA 0.188 4.308 4.120 -0.000 0.000 0.295 197 V C -0.546 175.486 176.094 -0.104 0.000 1.029 197 V CA -0.751 61.498 62.300 -0.086 0.000 0.874 197 V CB 1.682 33.476 31.823 -0.048 0.000 0.985 197 V HN 0.749 nan 8.190 nan 0.000 0.438 198 D N 4.509 124.844 120.400 -0.109 0.000 2.533 198 D HA -0.013 4.627 4.640 -0.000 0.000 0.236 198 D C 0.821 177.077 176.300 -0.074 0.000 1.137 198 D CA 0.787 54.727 54.000 -0.100 0.000 0.867 198 D CB 0.537 41.284 40.800 -0.088 0.000 1.170 198 D HN 0.572 nan 8.370 nan 0.000 0.474 199 Q N 1.896 121.648 119.800 -0.081 0.000 2.461 199 Q HA -0.220 4.120 4.340 -0.000 0.000 0.273 199 Q C 0.594 176.606 176.000 0.019 0.000 1.163 199 Q CA 1.610 57.400 55.803 -0.021 0.000 0.929 199 Q CB -2.703 26.039 28.738 0.007 0.000 1.334 199 Q HN 0.745 nan 8.270 nan 0.000 0.499 200 T N -6.702 107.834 114.554 -0.031 0.000 3.328 200 T HA 0.260 4.610 4.350 -0.000 0.000 0.297 200 T C 0.211 174.905 174.700 -0.010 0.000 0.882 200 T CA 0.241 62.349 62.100 0.013 0.000 0.906 200 T CB 0.495 69.356 68.868 -0.013 0.000 1.210 200 T HN 0.042 nan 8.240 nan 0.000 0.631 201 S N 1.178 116.789 115.700 -0.148 0.000 2.500 201 S HA 0.766 5.236 4.470 -0.000 0.000 0.301 201 S C -1.484 172.884 174.600 -0.388 0.000 1.092 201 S CA -0.589 57.526 58.200 -0.143 0.000 1.030 201 S CB 1.148 64.282 63.200 -0.110 0.000 1.031 201 S HN 0.524 nan 8.310 nan 0.000 0.483 202 H N 0.981 120.083 119.070 0.053 0.000 2.894 202 H HA 0.602 5.158 4.556 -0.000 0.000 0.367 202 H C -0.869 174.523 175.328 0.107 0.000 1.144 202 H CA -0.503 55.642 56.048 0.161 0.000 1.180 202 H CB 1.362 31.257 29.762 0.222 0.000 1.758 202 H HN 0.409 nan 8.280 nan 0.000 0.541 203 M N 3.550 123.347 119.600 0.329 0.000 2.324 203 M HA 0.504 4.984 4.480 -0.000 0.000 0.288 203 M C -1.759 174.726 176.300 0.309 0.000 1.097 203 M CA -0.728 54.609 55.300 0.061 0.000 0.928 203 M CB 2.111 34.636 32.600 -0.125 0.000 1.648 203 M HN 0.605 nan 8.290 nan 0.000 0.460 204 F N 0.206 120.210 119.950 0.089 0.000 2.690 204 F HA 0.494 5.021 4.527 -0.000 0.000 0.311 204 F C -0.580 175.216 175.800 -0.006 0.000 1.111 204 F CA -1.026 57.027 58.000 0.089 0.000 1.003 204 F CB 0.452 39.546 39.000 0.156 0.000 1.283 204 F HN 0.498 nan 8.300 nan 0.000 0.442 205 I N 0.331 120.969 120.570 0.113 0.000 2.406 205 I HA 0.022 4.192 4.170 -0.000 0.000 0.249 205 I C 0.333 176.529 176.117 0.131 0.000 1.122 205 I CA 1.146 62.438 61.300 -0.014 0.000 1.431 205 I CB -0.064 37.896 38.000 -0.067 0.000 1.087 205 I HN 0.662 nan 8.210 nan 0.000 0.424 206 T N 0.963 115.672 114.554 0.258 0.000 2.841 206 T HA 0.483 4.833 4.350 -0.000 0.000 0.285 206 T C 0.188 175.043 174.700 0.258 0.000 0.991 206 T CA -0.538 61.696 62.100 0.224 0.000 0.966 206 T CB 1.847 70.780 68.868 0.108 0.000 0.962 206 T HN 0.275 nan 8.240 nan 0.000 0.438 207 G N 2.849 111.789 108.800 0.232 0.000 2.636 207 G HA2 0.315 4.275 3.960 -0.000 0.000 0.246 207 G HA3 0.315 4.275 3.960 -0.000 0.000 0.246 207 G C -1.562 173.255 174.900 -0.138 0.000 1.216 207 G CA -1.209 43.896 45.100 0.008 0.000 0.854 207 G HN 0.409 nan 8.290 nan 0.000 0.572 208 P HA -0.099 nan 4.420 nan 0.000 0.216 208 P C 1.132 178.316 177.300 -0.194 0.000 1.150 208 P CA 1.200 64.112 63.100 -0.314 0.000 0.843 208 P CB 0.243 31.611 31.700 -0.554 0.000 0.787 209 D N -0.835 119.472 120.400 -0.154 0.000 2.092 209 D HA -0.120 4.520 4.640 -0.000 0.000 0.193 209 D C 2.068 178.335 176.300 -0.055 0.000 0.994 209 D CA 1.116 55.062 54.000 -0.091 0.000 0.828 209 D CB -1.062 39.708 40.800 -0.050 0.000 0.963 209 D HN -0.012 nan 8.370 nan 0.000 0.450 210 V N 2.414 122.310 119.914 -0.031 0.000 2.295 210 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 210 V C 2.600 178.681 176.094 -0.021 0.000 1.049 210 V CA 1.604 63.896 62.300 -0.013 0.000 1.024 210 V CB -0.710 31.121 31.823 0.012 0.000 0.648 210 V HN 0.281 nan 8.190 nan 0.000 0.447 211 I N -0.463 120.088 120.570 -0.031 0.000 2.361 211 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 211 I C 2.463 178.555 176.117 -0.042 0.000 1.133 211 I CA 2.202 63.483 61.300 -0.032 0.000 1.413 211 I CB -0.672 37.305 38.000 -0.039 0.000 1.073 211 I HN 0.244 nan 8.210 nan 0.000 0.424 212 K N 2.342 122.706 120.400 -0.059 0.000 2.002 212 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 212 K C 2.215 178.791 176.600 -0.041 0.000 1.048 212 K CA 2.875 59.126 56.287 -0.059 0.000 0.930 212 K CB -0.896 31.557 32.500 -0.078 0.000 0.714 212 K HN 0.612 nan 8.250 nan 0.000 0.438 213 T N -2.007 112.526 114.554 -0.035 0.000 2.777 213 T HA -0.063 4.286 4.350 -0.000 0.000 0.266 213 T C 1.942 176.632 174.700 -0.018 0.000 1.040 213 T CA 1.432 63.518 62.100 -0.024 0.000 1.141 213 T CB -0.603 68.254 68.868 -0.019 0.000 0.868 213 T HN -0.027 nan 8.240 nan 0.000 0.444 214 V N 1.372 121.276 119.914 -0.015 0.000 2.346 214 V HA -0.039 4.081 4.120 -0.000 0.000 0.244 214 V C 2.945 179.032 176.094 -0.011 0.000 1.037 214 V CA 2.047 64.342 62.300 -0.010 0.000 1.029 214 V CB -0.834 30.987 31.823 -0.004 0.000 0.663 214 V HN 0.554 nan 8.190 nan 0.000 0.454 215 T N -1.185 113.360 114.554 -0.015 0.000 3.039 215 T HA 0.295 4.645 4.350 -0.000 0.000 0.250 215 T C 1.525 176.213 174.700 -0.019 0.000 1.052 215 T CA 1.124 63.215 62.100 -0.015 0.000 1.125 215 T CB 0.553 69.412 68.868 -0.016 0.000 0.908 215 T HN 0.715 nan 8.240 nan 0.000 0.473 216 G N 1.778 110.563 108.800 -0.025 0.000 2.195 216 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.246 216 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.246 216 G C 0.009 174.889 174.900 -0.033 0.000 0.984 216 G CA 0.163 45.246 45.100 -0.027 0.000 0.633 216 G HN 0.573 nan 8.290 nan 0.000 0.525 217 E N 0.916 121.094 120.200 -0.036 0.000 2.259 217 E HA 0.460 4.810 4.350 -0.000 0.000 0.281 217 E C -0.895 175.669 176.600 -0.061 0.000 1.037 217 E CA -0.464 55.910 56.400 -0.043 0.000 0.854 217 E CB 0.435 30.112 29.700 -0.038 0.000 1.051 217 E HN 0.230 nan 8.360 nan 0.000 0.409 218 D N 3.910 124.271 120.400 -0.065 0.000 2.349 218 D HA 0.333 4.973 4.640 -0.000 0.000 0.232 218 D C -1.557 174.684 176.300 -0.099 0.000 1.071 218 D CA -0.499 53.449 54.000 -0.088 0.000 0.832 218 D CB 1.355 42.108 40.800 -0.079 0.000 1.086 218 D HN 0.188 nan 8.370 nan 0.000 0.504 219 V N 2.998 122.831 119.914 -0.135 0.000 3.130 219 V HA 0.906 5.026 4.120 -0.000 0.000 0.310 219 V C 0.170 176.136 176.094 -0.214 0.000 1.158 219 V CA -0.347 61.870 62.300 -0.139 0.000 1.029 219 V CB 1.976 33.729 31.823 -0.117 0.000 1.057 219 V HN 0.594 nan 8.190 nan 0.000 0.436 220 G N 1.395 110.085 108.800 -0.183 0.000 2.488 220 G HA2 0.461 4.421 3.960 -0.000 0.000 0.318 220 G HA3 0.461 4.421 3.960 -0.000 0.000 0.318 220 G C 0.021 174.795 174.900 -0.210 0.000 1.188 220 G CA -0.317 44.636 45.100 -0.245 0.000 0.944 220 G HN 0.615 nan 8.290 nan 0.000 0.495 221 F N -0.135 119.725 119.950 -0.151 0.000 2.091 221 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 221 F C 2.604 178.477 175.800 0.121 0.000 1.103 221 F CA 1.799 59.695 58.000 -0.173 0.000 1.228 221 F CB -0.291 38.472 39.000 -0.394 0.000 0.984 221 F HN 0.550 nan 8.300 nan 0.000 0.477 222 E N 0.502 120.918 120.200 0.360 0.000 2.058 222 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 222 E C 2.151 178.823 176.600 0.119 0.000 0.997 222 E CA 1.833 58.424 56.400 0.319 0.000 0.801 222 E CB -0.380 29.451 29.700 0.217 0.000 0.746 222 E HN 0.509 nan 8.360 nan 0.000 0.450 223 E N -0.704 119.527 120.200 0.052 0.000 2.047 223 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 223 E C 2.121 178.703 176.600 -0.030 0.000 0.987 223 E CA 0.963 57.358 56.400 -0.008 0.000 0.799 223 E CB -0.207 29.477 29.700 -0.027 0.000 0.752 223 E HN 0.286 nan 8.360 nan 0.000 0.449 224 L N -0.020 121.192 121.223 -0.019 0.000 1.970 224 L HA -0.059 4.281 4.340 -0.000 0.000 0.212 224 L C 1.471 178.337 176.870 -0.008 0.000 1.071 224 L CA 2.489 57.313 54.840 -0.026 0.000 0.751 224 L CB -0.377 41.637 42.059 -0.074 0.000 0.889 224 L HN 0.175 nan 8.230 nan 0.000 0.432 225 G N -1.128 107.737 108.800 0.109 0.000 4.988 225 G HA2 0.474 4.434 3.960 -0.000 0.000 0.227 225 G HA3 0.474 4.434 3.960 -0.000 0.000 0.227 225 G C 0.169 175.165 174.900 0.159 0.000 0.955 225 G CA 0.043 45.203 45.100 0.100 0.000 0.784 225 G HN 0.669 nan 8.290 nan 0.000 0.537 226 G N -0.536 108.262 108.800 -0.004 0.000 2.588 226 G HA2 0.538 4.498 3.960 -0.000 0.000 0.281 226 G HA3 0.538 4.498 3.960 -0.000 0.000 0.281 226 G C 1.321 176.142 174.900 -0.131 0.000 1.236 226 G CA 0.359 45.348 45.100 -0.186 0.000 0.969 226 G HN 0.589 nan 8.290 nan 0.000 0.504 227 A N -0.212 122.505 122.820 -0.172 0.000 1.851 227 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 227 A C 2.344 179.879 177.584 -0.082 0.000 1.195 227 A CA 2.135 54.111 52.037 -0.100 0.000 0.622 227 A CB -0.638 18.281 19.000 -0.135 0.000 0.831 227 A HN 0.669 nan 8.150 nan 0.000 0.444 228 R N -1.028 119.415 120.500 -0.094 0.000 2.091 228 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 228 R C 2.211 178.469 176.300 -0.070 0.000 1.136 228 R CA 2.102 58.158 56.100 -0.074 0.000 0.959 228 R CB -0.689 29.575 30.300 -0.061 0.000 0.856 228 R HN 0.527 nan 8.270 nan 0.000 0.437 229 T N 0.225 114.711 114.554 -0.113 0.000 2.635 229 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 229 T C 1.480 176.068 174.700 -0.187 0.000 1.040 229 T CA 1.526 63.523 62.100 -0.173 0.000 1.156 229 T CB -0.374 68.323 68.868 -0.285 0.000 0.863 229 T HN 0.417 nan 8.240 nan 0.000 0.430 230 H N 0.570 119.607 119.070 -0.056 0.000 2.529 230 H HA 0.148 4.704 4.556 -0.000 0.000 0.277 230 H C 1.815 177.059 175.328 -0.141 0.000 0.999 230 H CA 0.724 56.715 56.048 -0.096 0.000 1.256 230 H CB -0.199 29.515 29.762 -0.080 0.000 1.402 230 H HN 0.354 nan 8.280 nan 0.000 0.566 231 N N -0.359 118.339 118.700 -0.004 0.000 2.422 231 N HA -0.071 4.668 4.740 -0.000 0.000 0.181 231 N C 1.438 176.968 175.510 0.032 0.000 1.080 231 N CA 0.815 53.846 53.050 -0.031 0.000 0.893 231 N CB 0.475 38.929 38.487 -0.054 0.000 0.973 231 N HN 0.219 nan 8.380 nan 0.000 0.456 232 S N -3.385 112.346 115.700 0.052 0.000 2.628 232 S HA 0.212 4.682 4.470 -0.000 0.000 0.246 232 S C 1.316 176.053 174.600 0.229 0.000 1.062 232 S CA -0.170 58.125 58.200 0.159 0.000 1.028 232 S CB 0.382 63.634 63.200 0.087 0.000 0.985 232 S HN -0.010 nan 8.310 nan 0.000 0.551 233 T N 2.355 116.972 114.554 0.104 0.000 3.114 233 T HA 0.151 4.501 4.350 -0.000 0.000 0.240 233 T C 2.112 176.856 174.700 0.073 0.000 0.983 233 T CA 0.986 63.154 62.100 0.112 0.000 1.151 233 T CB -0.257 68.628 68.868 0.028 0.000 0.974 233 T HN 0.548 nan 8.240 nan 0.000 0.442 234 S N 1.060 116.737 115.700 -0.038 0.000 2.414 234 S HA 0.283 4.753 4.470 -0.000 0.000 0.227 234 S C 1.892 176.273 174.600 -0.366 0.000 1.022 234 S CA 0.783 58.945 58.200 -0.063 0.000 0.958 234 S CB -0.644 62.635 63.200 0.132 0.000 0.797 234 S HN 0.904 nan 8.310 nan 0.000 0.493 235 G N 0.710 109.075 108.800 -0.726 0.000 2.225 235 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.264 235 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.264 235 G C 0.554 175.057 174.900 -0.662 0.000 1.060 235 G CA 0.634 44.883 45.100 -1.419 0.000 0.833 235 G HN 1.498 nan 8.290 nan 0.000 0.498 236 V N -3.999 115.695 119.914 -0.366 0.000 3.621 236 V HA 0.791 4.911 4.120 -0.000 0.000 0.263 236 V C 1.162 177.112 176.094 -0.240 0.000 1.272 236 V CA 1.354 63.496 62.300 -0.262 0.000 1.080 236 V CB 0.449 32.135 31.823 -0.229 0.000 0.816 236 V HN 1.761 nan 8.190 nan 0.000 0.451 237 A N -0.299 122.390 122.820 -0.218 0.000 2.324 237 A HA 0.734 5.054 4.320 -0.000 0.000 0.330 237 A C 0.129 177.606 177.584 -0.177 0.000 1.165 237 A CA -0.340 51.638 52.037 -0.098 0.000 0.813 237 A CB 0.757 19.746 19.000 -0.017 0.000 1.197 237 A HN 0.540 nan 8.150 nan 0.000 0.484 238 H N -0.426 118.711 119.070 0.111 0.000 2.592 238 H HA 0.235 4.791 4.556 -0.000 0.000 0.265 238 H C -0.085 175.300 175.328 0.096 0.000 0.955 238 H CA 1.393 57.547 56.048 0.176 0.000 1.175 238 H CB 0.227 30.228 29.762 0.399 0.000 1.433 238 H HN 0.801 nan 8.280 nan 0.000 0.537 239 H N -0.286 118.745 119.070 -0.064 0.000 3.112 239 H HA 0.295 4.851 4.556 -0.000 0.000 0.347 239 H C -1.562 173.622 175.328 -0.240 0.000 1.188 239 H CA -0.915 54.942 56.048 -0.319 0.000 1.240 239 H CB 0.978 30.163 29.762 -0.960 0.000 1.920 239 H HN 0.076 nan 8.280 nan 0.000 0.535 240 M N 4.779 123.847 119.600 -0.887 0.000 2.043 240 M HA 0.735 5.215 4.480 -0.000 0.000 0.322 240 M C -1.340 174.462 176.300 -0.830 0.000 0.962 240 M CA -0.622 54.311 55.300 -0.612 0.000 0.927 240 M CB 0.628 33.029 32.600 -0.331 0.000 1.466 240 M HN 0.704 nan 8.290 nan 0.000 0.412 241 A N 3.230 125.729 122.820 -0.534 0.000 2.293 241 A HA 0.682 5.002 4.320 -0.000 0.000 0.302 241 A C 0.997 178.510 177.584 -0.118 0.000 1.119 241 A CA -0.198 51.700 52.037 -0.232 0.000 0.823 241 A CB 0.830 19.842 19.000 0.020 0.000 1.097 241 A HN 1.050 nan 8.150 nan 0.000 0.491 242 G N 0.100 108.871 108.800 -0.049 0.000 2.422 242 G HA2 0.204 4.164 3.960 -0.000 0.000 0.218 242 G HA3 0.204 4.164 3.960 -0.000 0.000 0.218 242 G C 0.186 175.074 174.900 -0.020 0.000 1.140 242 G CA 1.351 46.431 45.100 -0.034 0.000 0.775 242 G HN 0.991 nan 8.290 nan 0.000 0.545 243 D N -3.282 117.117 120.400 -0.003 0.000 2.643 243 D HA 0.288 4.928 4.640 -0.000 0.000 0.283 243 D C 0.560 176.868 176.300 0.013 0.000 1.242 243 D CA -0.753 53.248 54.000 0.001 0.000 0.863 243 D CB 0.476 41.279 40.800 0.005 0.000 1.382 243 D HN -0.029 nan 8.370 nan 0.000 0.444 244 E N -0.346 119.860 120.200 0.010 0.000 2.110 244 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 244 E C 1.493 178.109 176.600 0.028 0.000 0.988 244 E CA 0.884 57.294 56.400 0.017 0.000 0.804 244 E CB 0.022 29.727 29.700 0.009 0.000 0.745 244 E HN 0.459 nan 8.360 nan 0.000 0.458 245 K N 0.994 121.409 120.400 0.024 0.000 2.057 245 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 245 K C 1.430 178.062 176.600 0.054 0.000 1.049 245 K CA 1.715 58.018 56.287 0.028 0.000 0.931 245 K CB 0.136 32.647 32.500 0.017 0.000 0.714 245 K HN -0.043 nan 8.250 nan 0.000 0.440 246 D N 0.270 120.712 120.400 0.070 0.000 2.183 246 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 246 D C 1.734 178.139 176.300 0.174 0.000 0.969 246 D CA 1.166 55.236 54.000 0.116 0.000 0.842 246 D CB -0.110 40.761 40.800 0.117 0.000 0.957 246 D HN 0.366 nan 8.370 nan 0.000 0.484 247 A N 0.570 123.475 122.820 0.142 0.000 1.873 247 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 247 A C 2.498 180.188 177.584 0.177 0.000 1.186 247 A CA 1.030 53.173 52.037 0.177 0.000 0.616 247 A CB -0.761 18.298 19.000 0.099 0.000 0.823 247 A HN 0.122 nan 8.150 nan 0.000 0.442 248 V N 0.333 120.308 119.914 0.102 0.000 2.287 248 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 248 V C 2.649 178.788 176.094 0.075 0.000 1.053 248 V CA 2.528 64.868 62.300 0.067 0.000 1.027 248 V CB -0.732 31.106 31.823 0.025 0.000 0.646 248 V HN 0.755 nan 8.190 nan 0.000 0.447 249 E N -0.418 119.835 120.200 0.088 0.000 2.153 249 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 249 E C 1.991 178.651 176.600 0.099 0.000 0.988 249 E CA 1.578 58.019 56.400 0.069 0.000 0.811 249 E CB -0.517 29.229 29.700 0.077 0.000 0.746 249 E HN 0.689 nan 8.360 nan 0.000 0.466 250 Y N 0.243 120.585 120.300 0.070 0.000 2.200 250 Y HA -0.176 4.374 4.550 -0.000 0.000 0.290 250 Y C 2.226 178.191 175.900 0.108 0.000 1.137 250 Y CA 1.950 60.125 58.100 0.124 0.000 1.163 250 Y CB -0.236 38.240 38.460 0.027 0.000 0.988 250 Y HN 0.104 nan 8.280 nan 0.000 0.518 251 V N -1.334 118.689 119.914 0.181 0.000 2.427 251 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 251 V C 2.053 178.105 176.094 -0.070 0.000 1.051 251 V CA 2.005 64.347 62.300 0.069 0.000 1.048 251 V CB -0.669 31.202 31.823 0.081 0.000 0.666 251 V HN 0.288 nan 8.190 nan 0.000 0.456 252 K N -0.330 120.022 120.400 -0.079 0.000 2.063 252 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 252 K C 2.476 178.921 176.600 -0.258 0.000 1.048 252 K CA 1.900 58.106 56.287 -0.135 0.000 0.928 252 K CB -0.332 32.106 32.500 -0.103 0.000 0.713 252 K HN 0.505 nan 8.250 nan 0.000 0.442 253 Q N 0.679 120.264 119.800 -0.358 0.000 2.050 253 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 253 Q C 2.254 177.841 176.000 -0.688 0.000 0.980 253 Q CA 0.996 56.405 55.803 -0.656 0.000 0.840 253 Q CB -0.389 27.736 28.738 -1.021 0.000 0.898 253 Q HN 0.179 nan 8.270 nan 0.000 0.424 254 L N 0.739 121.641 121.223 -0.536 0.000 1.990 254 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 254 L C 2.325 179.001 176.870 -0.323 0.000 1.072 254 L CA 1.546 56.173 54.840 -0.356 0.000 0.755 254 L CB -0.976 40.936 42.059 -0.246 0.000 0.889 254 L HN 0.187 nan 8.230 nan 0.000 0.432 255 L N -0.958 120.108 121.223 -0.261 0.000 2.131 255 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 255 L C 2.502 179.208 176.870 -0.273 0.000 1.092 255 L CA 1.360 56.065 54.840 -0.224 0.000 0.759 255 L CB -0.655 41.311 42.059 -0.156 0.000 0.903 255 L HN 0.467 nan 8.230 nan 0.000 0.435 256 S N -1.468 114.011 115.700 -0.368 0.000 2.474 256 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 256 S C 1.527 175.809 174.600 -0.530 0.000 0.997 256 S CA 0.675 58.616 58.200 -0.432 0.000 0.949 256 S CB -0.441 62.440 63.200 -0.531 0.000 0.766 256 S HN 0.438 nan 8.310 nan 0.000 0.517 257 Y N 1.106 121.154 120.300 -0.420 0.000 2.462 257 Y HA 0.525 5.075 4.550 -0.000 0.000 0.261 257 Y C 0.655 176.306 175.900 -0.415 0.000 1.146 257 Y CA -0.488 57.333 58.100 -0.465 0.000 1.283 257 Y CB 0.150 38.091 38.460 -0.865 0.000 1.090 257 Y HN 0.196 nan 8.280 nan 0.000 0.526 258 L N 2.132 123.204 121.223 -0.251 0.000 2.334 258 L HA 0.461 4.801 4.340 -0.000 0.000 0.273 258 L C -2.306 174.467 176.870 -0.161 0.000 1.013 258 L CA -2.285 52.429 54.840 -0.210 0.000 0.816 258 L CB 1.897 43.773 42.059 -0.304 0.000 1.278 258 L HN -0.227 nan 8.230 nan 0.000 0.431 259 P HA 0.152 nan 4.420 nan 0.000 0.276 259 P C -0.073 177.180 177.300 -0.079 0.000 1.261 259 P CA -0.429 62.639 63.100 -0.054 0.000 0.800 259 P CB 1.047 32.768 31.700 0.035 0.000 1.066 260 S N -0.234 115.438 115.700 -0.046 0.000 2.453 260 S HA -0.058 4.412 4.470 -0.000 0.000 0.231 260 S C 0.836 175.439 174.600 0.004 0.000 1.005 260 S CA 1.043 59.219 58.200 -0.040 0.000 0.949 260 S CB -0.718 62.464 63.200 -0.029 0.000 0.774 260 S HN 0.752 nan 8.310 nan 0.000 0.510 261 N N -0.242 118.499 118.700 0.067 0.000 3.116 261 N HA 0.158 4.898 4.740 -0.000 0.000 0.244 261 N C -0.542 175.106 175.510 0.231 0.000 1.485 261 N CA -0.663 52.488 53.050 0.169 0.000 0.884 261 N CB -0.013 38.529 38.487 0.092 0.000 1.415 261 N HN -0.080 nan 8.380 nan 0.000 0.524 262 N N -0.331 118.505 118.700 0.226 0.000 2.609 262 N HA -0.049 4.691 4.740 -0.000 0.000 0.190 262 N C 0.290 175.832 175.510 0.053 0.000 1.157 262 N CA 0.672 53.791 53.050 0.114 0.000 0.918 262 N CB -0.100 38.353 38.487 -0.056 0.000 0.978 262 N HN 0.521 nan 8.380 nan 0.000 0.448 263 L N -0.741 120.511 121.223 0.049 0.000 2.446 263 L HA 0.238 4.578 4.340 -0.000 0.000 0.219 263 L C 0.180 177.062 176.870 0.019 0.000 1.116 263 L CA 0.453 55.305 54.840 0.021 0.000 0.844 263 L CB -1.066 40.999 42.059 0.010 0.000 0.970 263 L HN 0.087 nan 8.230 nan 0.000 0.457 264 S N -0.729 114.990 115.700 0.033 0.000 2.568 264 S HA 0.402 4.872 4.470 -0.000 0.000 0.302 264 S C 0.024 174.642 174.600 0.030 0.000 1.082 264 S CA -0.736 57.475 58.200 0.017 0.000 1.009 264 S CB 2.390 65.590 63.200 0.000 0.000 1.069 264 S HN 0.108 nan 8.310 nan 0.000 0.500 265 E N 2.296 122.503 120.200 0.012 0.000 2.371 265 E HA 0.229 4.579 4.350 -0.000 0.000 0.257 265 E C -2.263 174.339 176.600 0.003 0.000 1.134 265 E CA -1.857 54.554 56.400 0.019 0.000 0.919 265 E CB 0.001 29.705 29.700 0.007 0.000 1.025 265 E HN 0.318 nan 8.360 nan 0.000 0.438 266 P HA 0.009 nan 4.420 nan 0.000 0.267 266 P C -2.434 174.817 177.300 -0.082 0.000 1.200 266 P CA -0.960 62.129 63.100 -0.018 0.000 0.772 266 P CB -0.493 31.221 31.700 0.023 0.000 0.855 267 P HA 0.116 nan 4.420 nan 0.000 0.263 267 P C -0.752 176.341 177.300 -0.345 0.000 1.195 267 P CA 0.455 63.400 63.100 -0.258 0.000 0.762 267 P CB 0.328 31.878 31.700 -0.250 0.000 0.799 268 A N 3.231 125.760 122.820 -0.485 0.000 2.469 268 A HA 0.761 5.081 4.320 -0.000 0.000 0.299 268 A C -1.276 175.857 177.584 -0.750 0.000 1.098 268 A CA -0.548 51.222 52.037 -0.446 0.000 0.737 268 A CB 1.094 19.985 19.000 -0.183 0.000 1.312 268 A HN 0.341 nan 8.150 nan 0.000 0.414 269 F N 1.684 121.625 119.950 -0.015 0.000 2.710 269 F HA 0.299 4.826 4.527 -0.000 0.000 0.345 269 F C -2.150 173.650 175.800 -0.001 0.000 1.362 269 F CA -2.139 55.852 58.000 -0.015 0.000 1.175 269 F CB 1.102 40.085 39.000 -0.028 0.000 1.561 269 F HN 0.291 nan 8.300 nan 0.000 0.593 270 P HA -0.043 nan 4.420 nan 0.000 0.259 270 P C -0.635 176.715 177.300 0.083 0.000 1.163 270 P CA 0.546 63.690 63.100 0.073 0.000 0.760 270 P CB 0.584 32.308 31.700 0.039 0.000 0.762 271 E N 1.399 121.644 120.200 0.075 0.000 2.281 271 E HA 0.309 4.659 4.350 -0.000 0.000 0.266 271 E C -0.804 175.827 176.600 0.052 0.000 0.893 271 E CA -1.028 55.409 56.400 0.062 0.000 0.798 271 E CB 1.485 31.224 29.700 0.065 0.000 1.245 271 E HN 0.378 nan 8.360 nan 0.000 0.410 272 E N 2.879 123.103 120.200 0.041 0.000 2.366 272 E HA 0.285 4.635 4.350 -0.000 0.000 0.266 272 E C -0.697 175.924 176.600 0.035 0.000 1.015 272 E CA -0.225 56.197 56.400 0.036 0.000 0.906 272 E CB 0.704 30.420 29.700 0.027 0.000 0.979 272 E HN 0.607 nan 8.360 nan 0.000 0.443 273 A N 4.654 127.497 122.820 0.038 0.000 2.316 273 A HA 0.113 4.433 4.320 -0.000 0.000 0.284 273 A C -0.136 177.464 177.584 0.028 0.000 1.115 273 A CA -0.579 51.480 52.037 0.037 0.000 0.812 273 A CB 0.745 19.773 19.000 0.047 0.000 1.064 273 A HN 0.830 nan 8.150 nan 0.000 0.489 274 D N 2.462 122.877 120.400 0.025 0.000 2.325 274 D HA 0.168 4.808 4.640 -0.000 0.000 0.251 274 D C 0.160 176.471 176.300 0.018 0.000 1.196 274 D CA -0.180 53.830 54.000 0.018 0.000 0.866 274 D CB 0.603 41.412 40.800 0.015 0.000 1.101 274 D HN 0.487 nan 8.370 nan 0.000 0.476 275 L N 3.008 124.238 121.223 0.012 0.000 2.645 275 L HA 0.189 4.529 4.340 -0.000 0.000 0.234 275 L C 1.095 177.967 176.870 0.003 0.000 1.165 275 L CA -0.340 54.504 54.840 0.007 0.000 0.944 275 L CB -0.290 41.768 42.059 -0.003 0.000 1.149 275 L HN 0.330 nan 8.230 nan 0.000 0.446 276 A N 0.367 123.191 122.820 0.006 0.000 2.363 276 A HA 0.415 4.735 4.320 -0.000 0.000 0.270 276 A C 0.255 177.843 177.584 0.007 0.000 1.121 276 A CA -0.354 51.685 52.037 0.003 0.000 0.800 276 A CB 0.506 19.508 19.000 0.004 0.000 1.052 276 A HN -0.012 nan 8.150 nan 0.000 0.493 277 V N 3.741 123.657 119.914 0.005 0.000 2.458 277 V HA 0.177 4.297 4.120 -0.000 0.000 0.287 277 V C 1.249 177.348 176.094 0.009 0.000 1.009 277 V CA 0.717 63.022 62.300 0.008 0.000 1.091 277 V CB -0.272 31.551 31.823 0.000 0.000 0.960 277 V HN 1.082 nan 8.190 nan 0.000 0.476 278 T N 0.774 115.337 114.554 0.016 0.000 2.897 278 T HA 0.260 4.610 4.350 -0.000 0.000 0.278 278 T C 0.876 175.586 174.700 0.017 0.000 0.981 278 T CA -0.709 61.399 62.100 0.013 0.000 0.973 278 T CB 1.218 70.093 68.868 0.011 0.000 1.092 278 T HN 0.524 nan 8.240 nan 0.000 0.543 279 D N 0.444 120.852 120.400 0.014 0.000 2.123 279 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 279 D C 1.915 178.238 176.300 0.038 0.000 0.992 279 D CA 1.429 55.440 54.000 0.019 0.000 0.833 279 D CB -0.083 40.726 40.800 0.014 0.000 0.954 279 D HN 0.653 nan 8.370 nan 0.000 0.455 280 E N 0.971 121.192 120.200 0.034 0.000 2.031 280 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 280 E C 1.740 178.447 176.600 0.179 0.000 0.994 280 E CA 0.921 57.361 56.400 0.067 0.000 0.800 280 E CB -0.236 29.409 29.700 -0.091 0.000 0.752 280 E HN 0.222 nan 8.360 nan 0.000 0.447 281 D N 0.203 120.673 120.400 0.116 0.000 2.149 281 D HA -0.218 4.421 4.640 -0.000 0.000 0.194 281 D C 1.796 178.126 176.300 0.051 0.000 1.001 281 D CA 1.657 55.725 54.000 0.113 0.000 0.849 281 D CB -0.370 40.465 40.800 0.058 0.000 0.939 281 D HN 0.235 nan 8.370 nan 0.000 0.449 282 A N 0.910 123.746 122.820 0.026 0.000 2.019 282 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 282 A C 2.038 179.604 177.584 -0.031 0.000 1.164 282 A CA 1.394 53.421 52.037 -0.016 0.000 0.644 282 A CB -0.476 18.519 19.000 -0.008 0.000 0.805 282 A HN 0.258 nan 8.150 nan 0.000 0.449 283 E N -0.591 119.620 120.200 0.018 0.000 2.110 283 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 283 E C 1.641 178.176 176.600 -0.108 0.000 0.988 283 E CA 0.915 57.312 56.400 -0.004 0.000 0.804 283 E CB -0.246 29.515 29.700 0.102 0.000 0.745 283 E HN 0.422 nan 8.360 nan 0.000 0.458 284 L N 1.544 122.672 121.223 -0.159 0.000 2.127 284 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 284 L C 1.556 178.194 176.870 -0.387 0.000 1.089 284 L CA 1.669 56.335 54.840 -0.289 0.000 0.757 284 L CB -0.516 41.371 42.059 -0.287 0.000 0.899 284 L HN 0.048 nan 8.230 nan 0.000 0.434 285 D N -1.417 118.805 120.400 -0.296 0.000 2.310 285 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 285 D C 1.750 177.934 176.300 -0.194 0.000 0.965 285 D CA 1.503 55.336 54.000 -0.279 0.000 0.879 285 D CB 0.085 40.773 40.800 -0.187 0.000 0.921 285 D HN 0.474 nan 8.370 nan 0.000 0.510 286 T N -2.757 111.708 114.554 -0.148 0.000 3.084 286 T HA 0.229 4.578 4.350 -0.000 0.000 0.270 286 T C 1.730 176.375 174.700 -0.091 0.000 1.008 286 T CA -0.369 61.672 62.100 -0.097 0.000 0.900 286 T CB -0.104 68.729 68.868 -0.058 0.000 1.084 286 T HN 0.057 nan 8.240 nan 0.000 0.538 287 I N 1.582 122.075 120.570 -0.130 0.000 2.439 287 I HA 0.086 4.256 4.170 -0.000 0.000 0.251 287 I C 0.081 176.091 176.117 -0.178 0.000 1.139 287 I CA 0.636 61.861 61.300 -0.124 0.000 1.438 287 I CB 0.280 38.195 38.000 -0.142 0.000 1.085 287 I HN 0.054 nan 8.210 nan 0.000 0.427 288 V N 4.840 124.637 119.914 -0.195 0.000 2.439 288 V HA 0.156 4.276 4.120 -0.000 0.000 0.271 288 V C -1.836 174.227 176.094 -0.051 0.000 1.040 288 V CA -1.196 60.988 62.300 -0.193 0.000 1.002 288 V CB 0.077 31.845 31.823 -0.090 0.000 1.000 288 V HN 0.238 nan 8.190 nan 0.000 0.477 289 P HA 0.222 nan 4.420 nan 0.000 0.274 289 P C 0.086 177.413 177.300 0.044 0.000 1.231 289 P CA -0.380 62.744 63.100 0.041 0.000 0.790 289 P CB 1.200 32.947 31.700 0.077 0.000 0.951 290 D N -0.457 119.965 120.400 0.035 0.000 2.123 290 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 290 D C 0.932 177.261 176.300 0.049 0.000 0.992 290 D CA 1.402 55.424 54.000 0.037 0.000 0.833 290 D CB -0.376 40.441 40.800 0.028 0.000 0.954 290 D HN 0.290 nan 8.370 nan 0.000 0.455 291 S N -0.571 115.159 115.700 0.051 0.000 2.505 291 S HA 0.390 4.860 4.470 -0.000 0.000 0.276 291 S C 1.124 175.767 174.600 0.071 0.000 1.274 291 S CA -0.167 58.066 58.200 0.053 0.000 1.053 291 S CB 1.322 64.549 63.200 0.044 0.000 0.919 291 S HN 0.164 nan 8.310 nan 0.000 0.490 292 A N 5.116 127.980 122.820 0.072 0.000 2.070 292 A HA -0.052 4.268 4.320 -0.000 0.000 0.220 292 A C 1.777 179.407 177.584 0.077 0.000 1.159 292 A CA 1.136 53.226 52.037 0.089 0.000 0.656 292 A CB -0.372 18.681 19.000 0.089 0.000 0.800 292 A HN 0.877 nan 8.150 nan 0.000 0.453 293 N N -0.449 118.284 118.700 0.054 0.000 2.412 293 N HA -0.014 4.726 4.740 -0.000 0.000 0.184 293 N C 0.522 176.056 175.510 0.040 0.000 1.101 293 N CA 0.198 53.271 53.050 0.037 0.000 0.881 293 N CB 0.100 38.600 38.487 0.021 0.000 0.969 293 N HN 0.666 nan 8.380 nan 0.000 0.459 294 Q N 1.680 121.516 119.800 0.061 0.000 2.296 294 Q HA 0.274 4.614 4.340 -0.000 0.000 0.257 294 Q C -2.470 173.593 176.000 0.106 0.000 0.942 294 Q CA -1.701 54.142 55.803 0.067 0.000 0.939 294 Q CB 1.401 30.180 28.738 0.069 0.000 1.198 294 Q HN 0.024 nan 8.270 nan 0.000 0.429 295 P HA 0.269 nan 4.420 nan 0.000 0.281 295 P C -1.684 175.703 177.300 0.144 0.000 1.281 295 P CA -0.230 62.901 63.100 0.052 0.000 0.811 295 P CB 0.495 32.166 31.700 -0.049 0.000 1.154 296 Y N -3.333 116.980 120.300 0.022 0.000 2.597 296 Y HA 0.606 5.156 4.550 -0.000 0.000 0.340 296 Y C -1.174 174.741 175.900 0.025 0.000 1.097 296 Y CA -1.541 56.575 58.100 0.026 0.000 1.037 296 Y CB 0.363 38.844 38.460 0.034 0.000 1.305 296 Y HN 0.076 nan 8.280 nan 0.000 0.463 297 D N 2.277 122.741 120.400 0.107 0.000 2.336 297 D HA 0.106 4.745 4.640 -0.000 0.000 0.249 297 D C 0.721 177.073 176.300 0.087 0.000 1.213 297 D CA -0.170 53.865 54.000 0.058 0.000 0.870 297 D CB 1.428 42.305 40.800 0.128 0.000 1.076 297 D HN 0.771 nan 8.370 nan 0.000 0.483 298 M N 4.247 123.794 119.600 -0.089 0.000 2.358 298 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 298 M C 1.405 177.612 176.300 -0.154 0.000 1.064 298 M CA 1.485 56.719 55.300 -0.109 0.000 1.093 298 M CB -0.299 32.168 32.600 -0.223 0.000 1.401 298 M HN 0.476 nan 8.290 nan 0.000 0.440 299 H N -1.050 117.978 119.070 -0.069 0.000 2.352 299 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 299 H C 2.067 177.372 175.328 -0.039 0.000 1.097 299 H CA 1.981 57.998 56.048 -0.051 0.000 1.311 299 H CB -0.368 29.432 29.762 0.064 0.000 1.377 299 H HN 0.432 nan 8.280 nan 0.000 0.504 300 S N 0.231 116.023 115.700 0.154 0.000 2.356 300 S HA -0.121 4.349 4.470 -0.000 0.000 0.223 300 S C 2.609 177.245 174.600 0.061 0.000 1.032 300 S CA 1.219 59.510 58.200 0.151 0.000 1.005 300 S CB -0.572 62.687 63.200 0.098 0.000 0.867 300 S HN 0.114 nan 8.310 nan 0.000 0.449 301 V N 2.478 122.355 119.914 -0.063 0.000 2.252 301 V HA -0.233 3.887 4.120 -0.000 0.000 0.249 301 V C 2.151 178.064 176.094 -0.301 0.000 1.056 301 V CA 1.864 64.079 62.300 -0.143 0.000 1.022 301 V CB -0.825 30.901 31.823 -0.162 0.000 0.641 301 V HN 0.431 nan 8.190 nan 0.000 0.445 302 I N -0.180 120.052 120.570 -0.564 0.000 2.099 302 I HA -0.302 3.867 4.170 -0.000 0.000 0.239 302 I C 2.567 178.526 176.117 -0.264 0.000 1.066 302 I CA 1.998 62.870 61.300 -0.713 0.000 1.324 302 I CB -0.580 36.862 38.000 -0.929 0.000 1.037 302 I HN 0.357 nan 8.210 nan 0.000 0.401 303 E N -0.219 119.928 120.200 -0.088 0.000 2.209 303 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 303 E C 1.946 178.607 176.600 0.102 0.000 0.993 303 E CA 1.204 57.648 56.400 0.073 0.000 0.819 303 E CB -0.174 29.616 29.700 0.150 0.000 0.745 303 E HN 0.558 nan 8.360 nan 0.000 0.477 304 H N -1.254 117.815 119.070 -0.001 0.000 2.546 304 H HA -0.048 4.508 4.556 -0.000 0.000 0.277 304 H C 1.786 177.155 175.328 0.069 0.000 1.004 304 H CA 1.167 57.240 56.048 0.042 0.000 1.231 304 H CB 0.327 30.122 29.762 0.056 0.000 1.382 304 H HN 0.135 nan 8.280 nan 0.000 0.580 305 V N -2.820 117.195 119.914 0.169 0.000 3.605 305 V HA 0.258 4.378 4.120 -0.000 0.000 0.284 305 V C 0.551 176.738 176.094 0.154 0.000 1.386 305 V CA -0.107 62.302 62.300 0.181 0.000 1.053 305 V CB -0.021 31.959 31.823 0.261 0.000 0.857 305 V HN 0.010 nan 8.190 nan 0.000 0.436 306 L N 1.414 122.715 121.223 0.129 0.000 2.357 306 L HA 0.526 4.866 4.340 -0.000 0.000 0.273 306 L C -0.178 176.770 176.870 0.130 0.000 1.080 306 L CA -0.716 54.213 54.840 0.149 0.000 0.803 306 L CB 0.784 42.946 42.059 0.172 0.000 1.174 306 L HN 0.091 nan 8.230 nan 0.000 0.443 307 D N 1.979 122.463 120.400 0.141 0.000 2.525 307 D HA -0.058 4.582 4.640 -0.000 0.000 0.235 307 D C 0.376 176.739 176.300 0.106 0.000 1.137 307 D CA 0.643 54.712 54.000 0.115 0.000 0.868 307 D CB 0.403 41.276 40.800 0.123 0.000 1.180 307 D HN 0.501 nan 8.370 nan 0.000 0.465 308 D N 1.609 122.052 120.400 0.072 0.000 3.018 308 D HA -0.288 4.352 4.640 -0.000 0.000 0.224 308 D C 0.610 176.950 176.300 0.066 0.000 1.185 308 D CA 1.146 55.181 54.000 0.058 0.000 0.858 308 D CB -1.225 39.612 40.800 0.062 0.000 1.112 308 D HN 0.714 nan 8.370 nan 0.000 0.415 309 A N -0.703 122.159 122.820 0.069 0.000 2.798 309 A HA -0.306 4.014 4.320 -0.000 0.000 0.282 309 A C 0.346 178.016 177.584 0.143 0.000 1.464 309 A CA 1.863 53.946 52.037 0.076 0.000 0.844 309 A CB -1.557 17.453 19.000 0.016 0.000 1.006 309 A HN 0.371 nan 8.150 nan 0.000 0.577 310 E N -0.834 119.473 120.200 0.178 0.000 2.152 310 E HA 0.605 4.955 4.350 -0.000 0.000 0.285 310 E C -0.625 176.190 176.600 0.358 0.000 1.043 310 E CA -0.198 56.344 56.400 0.238 0.000 0.839 310 E CB 0.351 30.180 29.700 0.215 0.000 1.069 310 E HN 0.545 nan 8.360 nan 0.000 0.399 311 F N 5.969 126.023 119.950 0.173 0.000 2.500 311 F HA 0.363 4.890 4.527 -0.000 0.000 0.349 311 F C -1.706 174.217 175.800 0.205 0.000 1.127 311 F CA -1.680 56.420 58.000 0.167 0.000 0.998 311 F CB 0.391 39.470 39.000 0.131 0.000 1.237 311 F HN 0.338 nan 8.300 nan 0.000 0.439 312 F N 6.397 126.215 119.950 -0.220 0.000 2.423 312 F HA 0.317 4.844 4.527 -0.000 0.000 0.356 312 F C 0.309 175.708 175.800 -0.668 0.000 1.170 312 F CA -0.272 57.531 58.000 -0.328 0.000 1.163 312 F CB 0.123 39.046 39.000 -0.129 0.000 1.318 312 F HN 0.595 nan 8.300 nan 0.000 0.569 313 E N 3.592 123.177 120.200 -1.025 0.000 2.313 313 E HA 0.362 4.712 4.350 -0.000 0.000 0.272 313 E C -0.629 175.653 176.600 -0.529 0.000 1.038 313 E CA -0.479 55.376 56.400 -0.908 0.000 0.863 313 E CB 0.946 30.246 29.700 -0.668 0.000 1.060 313 E HN 0.608 nan 8.360 nan 0.000 0.402 314 T N 0.963 115.317 114.554 -0.333 0.000 2.887 314 T HA 0.246 4.596 4.350 -0.000 0.000 0.288 314 T C -0.371 174.330 174.700 0.002 0.000 1.021 314 T CA -0.819 61.240 62.100 -0.068 0.000 1.000 314 T CB 1.422 70.327 68.868 0.061 0.000 1.034 314 T HN 0.657 nan 8.240 nan 0.000 0.467 315 Q N 0.167 120.031 119.800 0.107 0.000 2.439 315 Q HA -0.137 4.203 4.340 -0.000 0.000 0.325 315 Q C -1.943 174.109 176.000 0.086 0.000 1.372 315 Q CA 0.243 56.113 55.803 0.110 0.000 0.909 315 Q CB -1.547 27.289 28.738 0.163 0.000 1.167 315 Q HN 0.621 nan 8.270 nan 0.000 0.418 316 P HA -0.151 nan 4.420 nan 0.000 0.217 316 P C 1.097 178.440 177.300 0.071 0.000 1.151 316 P CA 0.975 64.107 63.100 0.053 0.000 0.828 316 P CB 0.159 31.881 31.700 0.037 0.000 0.788 317 L N -3.164 118.104 121.223 0.075 0.000 2.395 317 L HA 0.063 4.403 4.340 -0.000 0.000 0.218 317 L C 0.926 177.887 176.870 0.152 0.000 1.130 317 L CA 0.078 54.969 54.840 0.086 0.000 0.826 317 L CB -0.397 41.693 42.059 0.051 0.000 0.941 317 L HN -0.036 nan 8.230 nan 0.000 0.451 318 F N 1.097 121.041 119.950 -0.009 0.000 2.420 318 F HA 0.569 5.095 4.527 -0.000 0.000 0.342 318 F C 0.761 176.553 175.800 -0.013 0.000 1.113 318 F CA -1.149 56.841 58.000 -0.016 0.000 1.059 318 F CB 0.887 39.867 39.000 -0.033 0.000 1.128 318 F HN 0.000 nan 8.300 nan 0.000 0.475 319 A N 5.865 128.251 122.820 -0.724 0.000 2.251 319 A HA -0.187 4.133 4.320 -0.000 0.000 0.283 319 A C -2.111 175.333 177.584 -0.233 0.000 1.415 319 A CA 0.405 52.077 52.037 -0.609 0.000 0.742 319 A CB -1.879 16.626 19.000 -0.824 0.000 1.151 319 A HN 0.665 nan 8.150 nan 0.000 0.354 320 P HA -0.150 nan 4.420 nan 0.000 0.228 320 P C 1.344 178.681 177.300 0.061 0.000 1.151 320 P CA 1.249 64.377 63.100 0.046 0.000 0.770 320 P CB -0.090 31.689 31.700 0.132 0.000 0.786 321 N N -0.539 118.193 118.700 0.053 0.000 2.520 321 N HA -0.083 4.657 4.740 -0.000 0.000 0.185 321 N C 0.494 175.995 175.510 -0.016 0.000 1.068 321 N CA 0.648 53.734 53.050 0.061 0.000 0.911 321 N CB -0.076 38.442 38.487 0.051 0.000 0.961 321 N HN 0.252 nan 8.380 nan 0.000 0.446 322 I N 0.254 120.799 120.570 -0.042 0.000 2.686 322 I HA 0.341 4.511 4.170 -0.000 0.000 0.295 322 I C -1.388 174.705 176.117 -0.040 0.000 1.114 322 I CA -0.981 60.295 61.300 -0.041 0.000 1.038 322 I CB 2.093 40.073 38.000 -0.034 0.000 1.238 322 I HN -0.175 nan 8.210 nan 0.000 0.420 323 L N 5.812 127.009 121.223 -0.043 0.000 2.329 323 L HA 0.662 5.002 4.340 -0.000 0.000 0.279 323 L C -0.438 176.414 176.870 -0.030 0.000 1.014 323 L CA -0.525 54.296 54.840 -0.032 0.000 0.814 323 L CB 1.900 43.907 42.059 -0.087 0.000 1.257 323 L HN 0.580 nan 8.230 nan 0.000 0.424 324 T N -0.786 113.706 114.554 -0.103 0.000 2.912 324 T HA 0.918 5.268 4.350 -0.000 0.000 0.299 324 T C -0.264 174.128 174.700 -0.513 0.000 1.052 324 T CA -0.497 61.337 62.100 -0.444 0.000 0.996 324 T CB 2.455 70.858 68.868 -0.775 0.000 1.070 324 T HN 0.971 nan 8.240 nan 0.000 0.465 325 G N 0.826 109.220 108.800 -0.676 0.000 2.321 325 G HA2 0.508 4.468 3.960 -0.000 0.000 0.296 325 G HA3 0.508 4.468 3.960 -0.000 0.000 0.296 325 G C -2.200 172.565 174.900 -0.225 0.000 1.287 325 G CA -0.925 43.891 45.100 -0.475 0.000 0.846 325 G HN 0.627 nan 8.290 nan 0.000 0.508 326 F N -0.328 119.662 119.950 0.068 0.000 2.575 326 F HA 0.915 5.442 4.527 -0.000 0.000 0.330 326 F C 0.941 176.667 175.800 -0.122 0.000 1.056 326 F CA 0.384 58.285 58.000 -0.164 0.000 0.964 326 F CB 2.380 40.801 39.000 -0.965 0.000 1.258 326 F HN 0.974 nan 8.300 nan 0.000 0.484 327 G N 0.358 109.245 108.800 0.146 0.000 2.554 327 G HA2 0.666 4.626 3.960 -0.000 0.000 0.306 327 G HA3 0.666 4.626 3.960 -0.000 0.000 0.306 327 G C -1.897 173.243 174.900 0.399 0.000 1.320 327 G CA -1.056 44.236 45.100 0.321 0.000 0.800 327 G HN 0.486 nan 8.290 nan 0.000 0.481 328 R N -1.258 119.447 120.500 0.342 0.000 2.725 328 R HA 0.661 5.001 4.340 -0.000 0.000 0.277 328 R C -1.682 174.743 176.300 0.208 0.000 0.987 328 R CA -0.774 55.494 56.100 0.281 0.000 0.901 328 R CB 2.803 33.261 30.300 0.262 0.000 1.207 328 R HN 0.347 nan 8.270 nan 0.000 0.463 329 V N 2.174 122.193 119.914 0.175 0.000 2.482 329 V HA 0.187 4.307 4.120 -0.000 0.000 0.295 329 V C 0.136 176.301 176.094 0.117 0.000 1.026 329 V CA -0.570 61.816 62.300 0.143 0.000 0.856 329 V CB 1.320 33.227 31.823 0.141 0.000 1.001 329 V HN 0.905 nan 8.190 nan 0.000 0.424 330 E N 3.531 123.793 120.200 0.103 0.000 2.476 330 E HA -0.296 4.054 4.350 -0.000 0.000 0.251 330 E C 1.277 177.933 176.600 0.093 0.000 1.130 330 E CA 0.709 57.160 56.400 0.086 0.000 0.736 330 E CB -1.120 28.622 29.700 0.071 0.000 1.298 330 E HN 1.544 nan 8.360 nan 0.000 0.400 331 G N -0.004 108.865 108.800 0.115 0.000 2.205 331 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.261 331 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.261 331 G C 0.224 175.190 174.900 0.109 0.000 0.980 331 G CA 0.529 45.709 45.100 0.134 0.000 0.632 331 G HN 0.269 nan 8.290 nan 0.000 0.533 332 R N 1.012 121.573 120.500 0.103 0.000 2.294 332 R HA 0.459 4.799 4.340 -0.000 0.000 0.319 332 R C -2.654 173.739 176.300 0.155 0.000 0.984 332 R CA -1.920 54.235 56.100 0.091 0.000 0.861 332 R CB 1.276 31.620 30.300 0.073 0.000 1.104 332 R HN 0.099 nan 8.270 nan 0.000 0.451 333 P HA -0.011 nan 4.420 nan 0.000 0.269 333 P C -0.841 176.622 177.300 0.271 0.000 1.209 333 P CA -0.185 63.092 63.100 0.294 0.000 0.776 333 P CB 0.769 32.632 31.700 0.271 0.000 0.876 334 V N -0.855 119.261 119.914 0.337 0.000 3.087 334 V HA 0.903 5.023 4.120 -0.000 0.000 0.306 334 V C -0.193 176.140 176.094 0.398 0.000 1.187 334 V CA -0.970 61.514 62.300 0.307 0.000 0.999 334 V CB 1.753 33.723 31.823 0.244 0.000 1.049 334 V HN 0.634 nan 8.190 nan 0.000 0.431 335 G N 1.382 110.386 108.800 0.340 0.000 2.434 335 G HA2 0.775 4.735 3.960 -0.000 0.000 0.330 335 G HA3 0.775 4.735 3.960 -0.000 0.000 0.330 335 G C -1.372 173.739 174.900 0.351 0.000 1.155 335 G CA -0.751 44.556 45.100 0.345 0.000 0.917 335 G HN 0.714 nan 8.290 nan 0.000 0.493 336 I N -0.247 120.559 120.570 0.394 0.000 2.689 336 I HA 0.523 4.693 4.170 -0.000 0.000 0.299 336 I C -0.481 175.773 176.117 0.228 0.000 1.059 336 I CA -0.831 60.640 61.300 0.285 0.000 1.055 336 I CB 2.590 40.696 38.000 0.177 0.000 1.243 336 I HN 0.220 nan 8.210 nan 0.000 0.425 337 V N 3.990 124.037 119.914 0.221 0.000 2.668 337 V HA 0.932 5.052 4.120 -0.000 0.000 0.304 337 V C -0.779 175.415 176.094 0.166 0.000 1.071 337 V CA -0.495 61.909 62.300 0.175 0.000 0.894 337 V CB 1.634 33.607 31.823 0.250 0.000 1.008 337 V HN 0.914 nan 8.190 nan 0.000 0.425 338 A N 3.946 126.821 122.820 0.092 0.000 2.566 338 A HA 0.739 5.059 4.320 -0.000 0.000 0.297 338 A C -0.924 176.658 177.584 -0.003 0.000 1.059 338 A CA -0.815 51.268 52.037 0.076 0.000 0.691 338 A CB 1.289 20.334 19.000 0.075 0.000 1.282 338 A HN 0.829 nan 8.150 nan 0.000 0.401 339 N N 1.090 119.782 118.700 -0.012 0.000 2.530 339 N HA 0.411 5.151 4.740 -0.000 0.000 0.273 339 N C -0.267 175.187 175.510 -0.093 0.000 1.173 339 N CA -0.054 52.968 53.050 -0.045 0.000 0.967 339 N CB 0.703 39.164 38.487 -0.043 0.000 1.109 339 N HN 0.603 nan 8.380 nan 0.000 0.453 340 Q N 3.115 122.859 119.800 -0.093 0.000 2.431 340 Q HA 0.355 4.695 4.340 -0.000 0.000 0.249 340 Q C -2.316 173.601 176.000 -0.138 0.000 1.025 340 Q CA -2.244 53.481 55.803 -0.129 0.000 0.835 340 Q CB 1.422 30.117 28.738 -0.072 0.000 1.207 340 Q HN 0.339 nan 8.270 nan 0.000 0.490 341 P HA -0.159 nan 4.420 nan 0.000 0.219 341 P C 0.833 178.034 177.300 -0.165 0.000 1.146 341 P CA 1.333 64.291 63.100 -0.237 0.000 0.808 341 P CB 0.162 31.581 31.700 -0.469 0.000 0.779 342 M N -1.819 117.685 119.600 -0.159 0.000 2.374 342 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 342 M C 0.437 176.679 176.300 -0.096 0.000 1.067 342 M CA 1.374 56.612 55.300 -0.103 0.000 1.103 342 M CB -0.544 32.018 32.600 -0.064 0.000 1.402 342 M HN 0.042 nan 8.290 nan 0.000 0.444 343 Q N 0.085 119.850 119.800 -0.059 0.000 2.333 343 Q HA 0.284 4.624 4.340 -0.000 0.000 0.268 343 Q C -0.475 175.571 176.000 0.077 0.000 1.007 343 Q CA -0.485 55.292 55.803 -0.044 0.000 0.810 343 Q CB 1.315 30.124 28.738 0.119 0.000 1.264 343 Q HN 0.324 nan 8.270 nan 0.000 0.452 344 F N 0.986 120.907 119.950 -0.048 0.000 3.079 344 F HA -0.348 4.179 4.527 -0.000 0.000 0.274 344 F C 1.085 176.857 175.800 -0.048 0.000 0.940 344 F CA 0.790 58.763 58.000 -0.045 0.000 0.932 344 F CB -2.176 36.795 39.000 -0.048 0.000 0.891 344 F HN 0.829 nan 8.300 nan 0.000 0.722 345 A N -1.468 121.367 122.820 0.024 0.000 2.910 345 A HA 0.090 4.410 4.320 -0.000 0.000 0.267 345 A C 2.203 179.790 177.584 0.005 0.000 1.310 345 A CA 1.607 53.646 52.037 0.004 0.000 0.934 345 A CB -1.859 17.150 19.000 0.014 0.000 1.057 345 A HN 2.601 nan 8.150 nan 0.000 0.742 346 G N -2.892 105.921 108.800 0.020 0.000 2.198 346 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.260 346 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.260 346 G C 0.533 175.425 174.900 -0.014 0.000 1.025 346 G CA 0.672 45.766 45.100 -0.009 0.000 0.769 346 G HN 1.654 nan 8.290 nan 0.000 0.507 347 C N -0.334 118.972 119.300 0.011 0.000 2.595 347 C HA 0.639 5.099 4.460 -0.000 0.000 0.384 347 C C 1.328 176.278 174.990 -0.067 0.000 1.289 347 C CA -0.603 58.396 59.018 -0.032 0.000 2.372 347 C CB 0.509 28.256 27.740 0.012 0.000 2.593 347 C HN 0.512 nan 8.230 nan 0.000 0.639 348 L N 2.931 124.067 121.223 -0.145 0.000 2.343 348 L HA 0.507 4.847 4.340 -0.000 0.000 0.275 348 L C 0.090 177.017 176.870 0.095 0.000 1.056 348 L CA 0.219 55.003 54.840 -0.093 0.000 0.804 348 L CB 1.063 42.937 42.059 -0.309 0.000 1.203 348 L HN 0.829 nan 8.230 nan 0.000 0.440 349 D N 1.444 121.907 120.400 0.105 0.000 2.825 349 D HA 0.190 4.830 4.640 -0.000 0.000 0.327 349 D C 0.797 177.137 176.300 0.066 0.000 1.277 349 D CA -0.597 53.458 54.000 0.091 0.000 0.950 349 D CB 0.942 41.708 40.800 -0.056 0.000 1.438 349 D HN 0.307 nan 8.370 nan 0.000 0.526 350 I N 0.298 120.879 120.570 0.017 0.000 2.142 350 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 350 I C 2.635 178.760 176.117 0.014 0.000 1.078 350 I CA 2.394 63.707 61.300 0.022 0.000 1.343 350 I CB -0.386 37.623 38.000 0.015 0.000 1.046 350 I HN 0.652 nan 8.210 nan 0.000 0.405 351 T N -0.567 113.950 114.554 -0.061 0.000 2.708 351 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 351 T C 2.000 176.583 174.700 -0.195 0.000 1.037 351 T CA 1.148 63.164 62.100 -0.140 0.000 1.146 351 T CB -0.628 67.933 68.868 -0.513 0.000 0.865 351 T HN 0.338 nan 8.240 nan 0.000 0.435 352 A N 1.633 124.329 122.820 -0.206 0.000 1.902 352 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 352 A C 2.751 180.338 177.584 0.006 0.000 1.181 352 A CA 2.089 54.051 52.037 -0.124 0.000 0.623 352 A CB -1.210 17.727 19.000 -0.105 0.000 0.818 352 A HN 0.559 nan 8.150 nan 0.000 0.443 353 S N -0.202 115.529 115.700 0.051 0.000 2.359 353 S HA -0.199 4.271 4.470 -0.000 0.000 0.224 353 S C 1.838 176.498 174.600 0.099 0.000 1.035 353 S CA 1.720 59.982 58.200 0.103 0.000 1.018 353 S CB -0.350 62.930 63.200 0.133 0.000 0.876 353 S HN 0.720 nan 8.310 nan 0.000 0.448 354 E N 0.703 120.966 120.200 0.105 0.000 2.208 354 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 354 E C 2.116 178.817 176.600 0.169 0.000 0.988 354 E CA 0.634 57.109 56.400 0.125 0.000 0.828 354 E CB -0.037 29.747 29.700 0.138 0.000 0.763 354 E HN 0.415 nan 8.360 nan 0.000 0.478 355 K N 1.005 121.530 120.400 0.207 0.000 2.001 355 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 355 K C 2.148 178.864 176.600 0.194 0.000 1.048 355 K CA 1.227 57.662 56.287 0.247 0.000 0.932 355 K CB -0.093 32.538 32.500 0.219 0.000 0.715 355 K HN 0.063 nan 8.250 nan 0.000 0.437 356 A N 1.028 123.932 122.820 0.139 0.000 1.930 356 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 356 A C 2.305 179.959 177.584 0.118 0.000 1.175 356 A CA 1.602 53.727 52.037 0.147 0.000 0.627 356 A CB -0.691 18.375 19.000 0.110 0.000 0.815 356 A HN 0.500 nan 8.150 nan 0.000 0.443 357 A N -0.340 122.527 122.820 0.078 0.000 1.865 357 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 357 A C 2.285 179.891 177.584 0.037 0.000 1.191 357 A CA 1.760 53.812 52.037 0.027 0.000 0.623 357 A CB -0.533 18.495 19.000 0.047 0.000 0.826 357 A HN 0.347 nan 8.150 nan 0.000 0.444 358 R N -1.573 118.979 120.500 0.086 0.000 2.096 358 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 358 R C 1.890 178.252 176.300 0.103 0.000 1.127 358 R CA 1.535 57.683 56.100 0.079 0.000 0.968 358 R CB -0.887 29.478 30.300 0.109 0.000 0.861 358 R HN 0.584 nan 8.270 nan 0.000 0.440 359 F N 0.629 120.604 119.950 0.041 0.000 2.146 359 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 359 F C 2.181 177.994 175.800 0.021 0.000 1.096 359 F CA 1.093 59.129 58.000 0.059 0.000 1.275 359 F CB -0.367 38.677 39.000 0.073 0.000 1.008 359 F HN -0.256 nan 8.300 nan 0.000 0.480 360 V N 1.195 121.079 119.914 -0.049 0.000 2.343 360 V HA -0.285 3.834 4.120 -0.000 0.000 0.247 360 V C 2.561 178.549 176.094 -0.176 0.000 1.051 360 V CA 2.078 64.263 62.300 -0.191 0.000 1.036 360 V CB -0.615 31.003 31.823 -0.342 0.000 0.654 360 V HN 0.282 nan 8.190 nan 0.000 0.451 361 R N -0.460 119.971 120.500 -0.114 0.000 2.092 361 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 361 R C 2.351 178.593 176.300 -0.096 0.000 1.119 361 R CA 1.747 57.798 56.100 -0.081 0.000 0.970 361 R CB -0.859 29.418 30.300 -0.038 0.000 0.864 361 R HN 0.496 nan 8.270 nan 0.000 0.440 362 T N 0.896 115.386 114.554 -0.107 0.000 2.684 362 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 362 T C 2.150 176.879 174.700 0.047 0.000 1.036 362 T CA 1.463 63.543 62.100 -0.035 0.000 1.148 362 T CB -0.352 68.461 68.868 -0.091 0.000 0.863 362 T HN 0.319 nan 8.240 nan 0.000 0.436 363 C N 1.221 120.458 119.300 -0.105 0.000 2.413 363 C HA -0.105 4.355 4.460 -0.000 0.000 0.277 363 C C 2.675 177.681 174.990 0.027 0.000 1.228 363 C CA 0.855 59.867 59.018 -0.009 0.000 1.731 363 C CB -1.116 26.529 27.740 -0.158 0.000 2.042 363 C HN 0.683 nan 8.230 nan 0.000 0.468 364 D N 0.683 121.058 120.400 -0.041 0.000 2.123 364 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 364 D C 2.106 178.361 176.300 -0.075 0.000 0.992 364 D CA 1.784 55.761 54.000 -0.038 0.000 0.833 364 D CB -0.172 40.598 40.800 -0.049 0.000 0.954 364 D HN 0.411 nan 8.370 nan 0.000 0.455 365 A N -0.780 121.948 122.820 -0.154 0.000 1.972 365 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 365 A C 1.422 178.723 177.584 -0.472 0.000 1.169 365 A CA 0.923 52.749 52.037 -0.351 0.000 0.635 365 A CB -0.675 18.015 19.000 -0.518 0.000 0.810 365 A HN 0.343 nan 8.150 nan 0.000 0.446 366 F N 0.111 120.068 119.950 0.010 0.000 2.684 366 F HA 0.243 4.770 4.527 -0.000 0.000 0.298 366 F C 0.482 176.295 175.800 0.022 0.000 1.120 366 F CA -0.576 57.436 58.000 0.020 0.000 1.332 366 F CB -0.207 38.815 39.000 0.037 0.000 0.986 366 F HN 0.253 nan 8.300 nan 0.000 0.524 367 N N -0.403 118.362 118.700 0.110 0.000 2.747 367 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 367 N C -0.655 174.918 175.510 0.104 0.000 1.107 367 N CA 0.440 53.540 53.050 0.083 0.000 0.707 367 N CB -1.727 36.801 38.487 0.069 0.000 1.054 367 N HN 0.084 nan 8.380 nan 0.000 0.555 368 V N 0.979 120.975 119.914 0.135 0.000 2.407 368 V HA 0.329 4.449 4.120 -0.000 0.000 0.278 368 V C -1.771 174.401 176.094 0.131 0.000 1.037 368 V CA -1.276 61.122 62.300 0.162 0.000 0.900 368 V CB 1.546 33.523 31.823 0.258 0.000 0.983 368 V HN -0.082 nan 8.190 nan 0.000 0.459 369 P HA 0.227 nan 4.420 nan 0.000 0.272 369 P C -0.882 176.496 177.300 0.131 0.000 1.223 369 P CA -0.113 63.052 63.100 0.109 0.000 0.784 369 P CB 0.690 32.451 31.700 0.102 0.000 0.923 370 V N 3.698 123.679 119.914 0.113 0.000 2.448 370 V HA 0.342 4.462 4.120 -0.000 0.000 0.295 370 V C 0.013 176.173 176.094 0.109 0.000 1.025 370 V CA -0.512 61.871 62.300 0.139 0.000 0.859 370 V CB 1.179 33.089 31.823 0.145 0.000 0.988 370 V HN 0.329 nan 8.190 nan 0.000 0.431 371 L N 4.925 126.212 121.223 0.107 0.000 2.296 371 L HA 0.731 5.071 4.340 -0.000 0.000 0.286 371 L C 0.261 177.076 176.870 -0.092 0.000 1.023 371 L CA -0.278 54.541 54.840 -0.035 0.000 0.812 371 L CB 2.000 44.075 42.059 0.026 0.000 1.223 371 L HN 0.799 nan 8.230 nan 0.000 0.421 372 T N -0.749 113.624 114.554 -0.300 0.000 2.824 372 T HA 0.662 5.012 4.350 -0.000 0.000 0.282 372 T C -0.756 173.616 174.700 -0.547 0.000 0.993 372 T CA -0.533 61.436 62.100 -0.219 0.000 0.967 372 T CB 1.083 69.918 68.868 -0.055 0.000 0.960 372 T HN 0.140 nan 8.240 nan 0.000 0.441 373 F N 2.077 121.972 119.950 -0.090 0.000 2.426 373 F HA 0.597 5.124 4.527 -0.000 0.000 0.348 373 F C -0.124 175.589 175.800 -0.145 0.000 1.124 373 F CA -1.075 56.832 58.000 -0.155 0.000 1.008 373 F CB 1.931 40.827 39.000 -0.172 0.000 1.139 373 F HN 0.403 nan 8.300 nan 0.000 0.452 374 V N 2.522 122.394 119.914 -0.069 0.000 2.435 374 V HA 0.484 4.604 4.120 -0.000 0.000 0.290 374 V C -0.790 175.272 176.094 -0.053 0.000 1.030 374 V CA -0.498 61.762 62.300 -0.067 0.000 0.881 374 V CB 1.668 33.433 31.823 -0.097 0.000 0.983 374 V HN 0.705 nan 8.190 nan 0.000 0.445 375 D N 3.407 123.795 120.400 -0.019 0.000 2.826 375 D HA 0.172 4.812 4.640 -0.000 0.000 0.239 375 D C -1.603 174.706 176.300 0.015 0.000 1.329 375 D CA 0.012 54.022 54.000 0.017 0.000 0.854 375 D CB 1.552 42.383 40.800 0.053 0.000 1.494 375 D HN 0.371 nan 8.370 nan 0.000 0.540 376 V N 4.205 124.136 119.914 0.029 0.000 2.531 376 V HA 0.570 4.690 4.120 -0.000 0.000 0.301 376 V C -1.847 174.322 176.094 0.125 0.000 1.034 376 V CA -1.999 60.313 62.300 0.020 0.000 0.865 376 V CB 2.519 34.306 31.823 -0.059 0.000 0.995 376 V HN 0.143 nan 8.190 nan 0.000 0.424 377 P HA 0.281 nan 4.420 nan 0.000 0.227 377 P C 0.597 177.933 177.300 0.060 0.000 1.161 377 P CA 1.483 64.663 63.100 0.133 0.000 0.788 377 P CB 0.649 32.356 31.700 0.011 0.000 0.822 378 G N -0.847 107.926 108.800 -0.044 0.000 2.332 378 G HA2 0.172 4.132 3.960 -0.000 0.000 0.265 378 G HA3 0.172 4.132 3.960 -0.000 0.000 0.265 378 G C -1.746 172.982 174.900 -0.286 0.000 1.329 378 G CA -0.898 44.127 45.100 -0.124 0.000 0.949 378 G HN -0.023 nan 8.290 nan 0.000 0.476 379 F N 0.704 120.677 119.950 0.039 0.000 2.399 379 F HA 0.598 5.125 4.527 -0.000 0.000 0.334 379 F C 1.062 176.866 175.800 0.006 0.000 1.097 379 F CA -0.619 57.393 58.000 0.020 0.000 1.076 379 F CB 1.790 40.800 39.000 0.017 0.000 1.162 379 F HN 0.404 nan 8.300 nan 0.000 0.495 380 L N 5.483 126.808 121.223 0.168 0.000 2.615 380 L HA 0.129 4.469 4.340 -0.000 0.000 0.271 380 L C -2.207 174.713 176.870 0.083 0.000 1.183 380 L CA -1.373 53.521 54.840 0.089 0.000 0.933 380 L CB 0.298 42.381 42.059 0.039 0.000 1.199 380 L HN 0.359 nan 8.230 nan 0.000 0.487 381 P HA 0.414 nan 4.420 nan 0.000 0.271 381 P C -0.667 176.638 177.300 0.008 0.000 1.218 381 P CA -0.214 62.906 63.100 0.033 0.000 0.780 381 P CB 1.212 32.926 31.700 0.023 0.000 0.901 382 G N 0.137 108.927 108.800 -0.015 0.000 2.351 382 G HA2 0.117 4.077 3.960 -0.000 0.000 0.296 382 G HA3 0.117 4.077 3.960 -0.000 0.000 0.296 382 G C 0.233 175.081 174.900 -0.087 0.000 1.685 382 G CA -0.734 44.341 45.100 -0.041 0.000 0.936 382 G HN 0.226 nan 8.290 nan 0.000 0.714 383 V N 1.542 121.376 119.914 -0.133 0.000 2.515 383 V HA -0.106 4.014 4.120 -0.000 0.000 0.250 383 V C 2.762 178.668 176.094 -0.314 0.000 1.058 383 V CA 2.598 64.733 62.300 -0.276 0.000 1.064 383 V CB -0.435 31.200 31.823 -0.313 0.000 0.675 383 V HN 0.913 nan 8.190 nan 0.000 0.461 384 D N -0.308 119.999 120.400 -0.155 0.000 2.117 384 D HA -0.245 4.395 4.640 -0.000 0.000 0.197 384 D C 1.929 178.209 176.300 -0.033 0.000 0.987 384 D CA 1.191 55.149 54.000 -0.070 0.000 0.829 384 D CB -0.373 40.409 40.800 -0.031 0.000 0.961 384 D HN 0.382 nan 8.370 nan 0.000 0.460 385 Q N 0.428 120.202 119.800 -0.042 0.000 2.061 385 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 385 Q C 2.165 178.155 176.000 -0.016 0.000 0.984 385 Q CA 1.049 56.839 55.803 -0.023 0.000 0.846 385 Q CB -0.275 28.451 28.738 -0.020 0.000 0.902 385 Q HN 0.427 nan 8.270 nan 0.000 0.421 386 E N 0.266 120.443 120.200 -0.037 0.000 2.038 386 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 386 E C 1.956 178.630 176.600 0.124 0.000 1.000 386 E CA 1.189 57.593 56.400 0.007 0.000 0.803 386 E CB -0.307 29.381 29.700 -0.020 0.000 0.750 386 E HN 0.448 nan 8.360 nan 0.000 0.448 387 H N 0.686 119.746 119.070 -0.017 0.000 2.489 387 H HA -0.045 4.511 4.556 -0.000 0.000 0.293 387 H C 1.109 176.429 175.328 -0.013 0.000 1.066 387 H CA 0.966 57.005 56.048 -0.014 0.000 1.305 387 H CB -0.086 29.670 29.762 -0.009 0.000 1.386 387 H HN 0.135 nan 8.280 nan 0.000 0.551 388 D N -0.632 119.833 120.400 0.108 0.000 2.340 388 D HA 0.116 4.756 4.640 -0.000 0.000 0.220 388 D C 1.068 177.386 176.300 0.030 0.000 1.039 388 D CA 0.767 54.801 54.000 0.055 0.000 0.866 388 D CB 0.177 41.001 40.800 0.039 0.000 0.913 388 D HN 0.499 nan 8.370 nan 0.000 0.523 389 G N 1.753 110.570 108.800 0.029 0.000 2.203 389 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.231 389 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.231 389 G C 0.985 175.875 174.900 -0.016 0.000 1.058 389 G CA 0.260 45.362 45.100 0.004 0.000 0.781 389 G HN 0.332 nan 8.290 nan 0.000 0.496 390 I N 0.233 120.786 120.570 -0.028 0.000 2.315 390 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 390 I C 2.473 178.529 176.117 -0.103 0.000 1.125 390 I CA 1.900 63.161 61.300 -0.066 0.000 1.392 390 I CB -0.219 37.722 38.000 -0.100 0.000 1.065 390 I HN 0.521 nan 8.210 nan 0.000 0.424 391 I N 0.911 121.428 120.570 -0.089 0.000 2.127 391 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 391 I C 2.643 178.725 176.117 -0.058 0.000 1.075 391 I CA 2.126 63.372 61.300 -0.089 0.000 1.334 391 I CB -0.518 37.448 38.000 -0.057 0.000 1.040 391 I HN 0.352 nan 8.210 nan 0.000 0.405 392 R N 0.784 121.261 120.500 -0.038 0.000 2.210 392 R HA 0.026 4.366 4.340 -0.000 0.000 0.203 392 R C 2.110 178.396 176.300 -0.024 0.000 1.010 392 R CA 0.465 56.548 56.100 -0.028 0.000 1.008 392 R CB -0.253 30.031 30.300 -0.027 0.000 0.923 392 R HN 0.274 nan 8.270 nan 0.000 0.469 393 R N 0.674 121.162 120.500 -0.020 0.000 2.112 393 R HA 0.112 4.452 4.340 -0.000 0.000 0.216 393 R C 2.346 178.656 176.300 0.017 0.000 1.080 393 R CA 1.032 57.130 56.100 -0.002 0.000 0.996 393 R CB -0.158 30.146 30.300 0.007 0.000 0.902 393 R HN 0.385 nan 8.270 nan 0.000 0.449 394 G N 0.718 109.518 108.800 0.000 0.000 2.484 394 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 394 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 394 G C 1.441 176.382 174.900 0.067 0.000 1.130 394 G CA 0.590 45.713 45.100 0.038 0.000 0.784 394 G HN 0.354 nan 8.290 nan 0.000 0.543 395 A N 0.803 123.644 122.820 0.035 0.000 2.067 395 A HA 0.084 4.404 4.320 -0.000 0.000 0.219 395 A C 2.215 179.869 177.584 0.117 0.000 1.158 395 A CA 1.506 53.587 52.037 0.074 0.000 0.661 395 A CB -0.244 18.787 19.000 0.051 0.000 0.801 395 A HN 0.381 nan 8.150 nan 0.000 0.452 396 K N -0.447 119.997 120.400 0.073 0.000 2.152 396 K HA -0.047 4.273 4.320 -0.000 0.000 0.206 396 K C 1.771 178.445 176.600 0.124 0.000 1.048 396 K CA 1.155 57.480 56.287 0.063 0.000 0.933 396 K CB -0.276 32.234 32.500 0.016 0.000 0.721 396 K HN 0.479 nan 8.250 nan 0.000 0.447 397 L N 1.422 122.725 121.223 0.134 0.000 2.109 397 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 397 L C 2.370 179.368 176.870 0.214 0.000 1.086 397 L CA 0.944 55.868 54.840 0.140 0.000 0.760 397 L CB -0.247 41.922 42.059 0.183 0.000 0.910 397 L HN 0.241 nan 8.230 nan 0.000 0.437 398 I N -3.980 116.728 120.570 0.229 0.000 2.252 398 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 398 I C 2.536 178.772 176.117 0.198 0.000 1.102 398 I CA 1.482 62.914 61.300 0.220 0.000 1.385 398 I CB -0.833 37.258 38.000 0.152 0.000 1.064 398 I HN 0.058 nan 8.210 nan 0.000 0.414 399 F N 2.357 122.342 119.950 0.058 0.000 2.095 399 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 399 F C 2.677 178.485 175.800 0.014 0.000 1.104 399 F CA 2.063 60.082 58.000 0.030 0.000 1.232 399 F CB -0.232 38.776 39.000 0.014 0.000 0.987 399 F HN 0.140 nan 8.300 nan 0.000 0.475 400 A N -0.496 122.483 122.820 0.264 0.000 1.883 400 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 400 A C 1.998 179.563 177.584 -0.032 0.000 1.186 400 A CA 1.971 54.054 52.037 0.076 0.000 0.624 400 A CB -1.525 17.434 19.000 -0.069 0.000 0.822 400 A HN 0.521 nan 8.150 nan 0.000 0.444 401 Y N -0.325 119.994 120.300 0.031 0.000 2.163 401 Y HA -0.039 4.511 4.550 -0.000 0.000 0.288 401 Y C 2.930 178.791 175.900 -0.064 0.000 1.136 401 Y CA 0.831 58.920 58.100 -0.018 0.000 1.147 401 Y CB -0.749 37.694 38.460 -0.028 0.000 0.987 401 Y HN 0.311 nan 8.280 nan 0.000 0.509 402 A N -0.465 122.395 122.820 0.066 0.000 2.121 402 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 402 A C 2.134 179.639 177.584 -0.132 0.000 1.154 402 A CA 1.678 53.679 52.037 -0.061 0.000 0.679 402 A CB -0.562 18.361 19.000 -0.128 0.000 0.795 402 A HN 0.568 nan 8.150 nan 0.000 0.458 403 E N -0.024 120.088 120.200 -0.147 0.000 2.140 403 E HA 0.219 4.569 4.350 -0.000 0.000 0.191 403 E C 0.978 177.544 176.600 -0.058 0.000 0.973 403 E CA 0.380 56.693 56.400 -0.146 0.000 0.829 403 E CB -0.110 29.520 29.700 -0.117 0.000 0.781 403 E HN 0.511 nan 8.360 nan 0.000 0.466 404 A N 0.892 123.698 122.820 -0.023 0.000 2.540 404 A HA 0.035 4.355 4.320 -0.000 0.000 0.239 404 A C 0.945 178.525 177.584 -0.006 0.000 1.061 404 A CA 0.777 52.809 52.037 -0.008 0.000 0.758 404 A CB 0.228 19.237 19.000 0.015 0.000 0.991 404 A HN 0.390 nan 8.150 nan 0.000 0.502 405 T N -0.174 114.374 114.554 -0.010 0.000 2.985 405 T HA 0.284 4.634 4.350 -0.000 0.000 0.254 405 T C 0.692 175.394 174.700 0.003 0.000 1.021 405 T CA 0.471 62.566 62.100 -0.008 0.000 0.957 405 T CB -1.153 67.706 68.868 -0.016 0.000 1.047 405 T HN 1.102 nan 8.240 nan 0.000 0.511 406 V N -0.363 119.557 119.914 0.010 0.000 3.376 406 V HA 0.406 4.526 4.120 -0.000 0.000 0.303 406 V C -2.741 173.371 176.094 0.030 0.000 1.100 406 V CA -2.334 59.980 62.300 0.024 0.000 1.126 406 V CB -0.432 31.413 31.823 0.036 0.000 1.085 406 V HN -0.027 nan 8.190 nan 0.000 0.480 407 P HA 0.338 nan 4.420 nan 0.000 0.268 407 P C -0.848 176.476 177.300 0.039 0.000 1.204 407 P CA 0.307 63.427 63.100 0.033 0.000 0.768 407 P CB 0.218 31.941 31.700 0.039 0.000 0.842 408 L N 4.633 125.870 121.223 0.022 0.000 2.372 408 L HA 0.516 4.856 4.340 -0.000 0.000 0.274 408 L C -0.249 176.603 176.870 -0.030 0.000 0.988 408 L CA -0.377 54.474 54.840 0.018 0.000 0.833 408 L CB 1.217 43.293 42.059 0.028 0.000 1.236 408 L HN 0.232 nan 8.230 nan 0.000 0.410 409 I N 2.228 122.770 120.570 -0.047 0.000 2.406 409 I HA 0.457 4.627 4.170 -0.000 0.000 0.290 409 I C -0.317 175.686 176.117 -0.190 0.000 0.999 409 I CA -0.264 60.978 61.300 -0.096 0.000 1.124 409 I CB 2.312 40.275 38.000 -0.062 0.000 1.289 409 I HN 0.484 nan 8.210 nan 0.000 0.441 410 T N 5.357 119.777 114.554 -0.223 0.000 2.863 410 T HA 0.572 4.922 4.350 -0.000 0.000 0.285 410 T C -0.544 173.972 174.700 -0.306 0.000 1.009 410 T CA -0.501 61.418 62.100 -0.303 0.000 0.989 410 T CB 2.319 71.016 68.868 -0.284 0.000 1.004 410 T HN 0.199 nan 8.240 nan 0.000 0.455 411 V N 4.229 123.897 119.914 -0.409 0.000 2.482 411 V HA 0.449 4.568 4.120 -0.000 0.000 0.295 411 V C -0.397 175.487 176.094 -0.350 0.000 1.026 411 V CA -0.783 61.304 62.300 -0.356 0.000 0.856 411 V CB 1.473 33.068 31.823 -0.379 0.000 1.001 411 V HN 0.809 nan 8.190 nan 0.000 0.424 412 I N 4.704 125.099 120.570 -0.292 0.000 2.301 412 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 412 I C 1.613 177.491 176.117 -0.399 0.000 1.046 412 I CA -0.032 61.113 61.300 -0.258 0.000 1.282 412 I CB 1.659 39.568 38.000 -0.151 0.000 1.409 412 I HN 0.817 nan 8.210 nan 0.000 0.484 413 T N 2.558 116.820 114.554 -0.486 0.000 3.009 413 T HA 0.066 4.416 4.350 -0.000 0.000 0.258 413 T C 1.520 176.134 174.700 -0.144 0.000 1.063 413 T CA 0.561 62.257 62.100 -0.673 0.000 1.139 413 T CB 0.384 68.726 68.868 -0.878 0.000 0.890 413 T HN 0.637 nan 8.240 nan 0.000 0.471 414 R N 0.164 120.629 120.500 -0.058 0.000 5.324 414 R HA 0.374 4.714 4.340 -0.000 0.000 0.103 414 R C -0.663 175.640 176.300 0.005 0.000 0.980 414 R CA -0.352 55.769 56.100 0.035 0.000 0.877 414 R CB 0.609 31.000 30.300 0.152 0.000 1.354 414 R HN 0.044 nan 8.270 nan 0.000 0.391 415 K N 0.571 121.000 120.400 0.048 0.000 2.156 415 K HA 0.600 4.919 4.320 -0.000 0.000 0.271 415 K C -1.395 175.161 176.600 -0.073 0.000 0.995 415 K CA -0.157 56.161 56.287 0.051 0.000 0.890 415 K CB 2.009 34.690 32.500 0.302 0.000 1.073 415 K HN 0.377 nan 8.250 nan 0.000 0.454 416 A N 3.855 126.470 122.820 -0.341 0.000 2.839 416 A HA 0.424 4.744 4.320 -0.000 0.000 0.303 416 A C -1.539 175.798 177.584 -0.412 0.000 1.181 416 A CA -0.672 51.238 52.037 -0.211 0.000 0.808 416 A CB 0.004 18.919 19.000 -0.142 0.000 1.391 416 A HN 0.556 nan 8.150 nan 0.000 0.433 417 F N 1.207 121.183 119.950 0.043 0.000 2.495 417 F HA 0.666 5.193 4.527 -0.000 0.000 0.327 417 F C 1.284 177.136 175.800 0.086 0.000 1.103 417 F CA 0.606 58.633 58.000 0.045 0.000 0.949 417 F CB 1.987 41.002 39.000 0.025 0.000 1.142 417 F HN 1.054 nan 8.300 nan 0.000 0.457 418 G N 1.972 110.946 108.800 0.290 0.000 2.614 418 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.303 418 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.303 418 G C 1.302 176.357 174.900 0.259 0.000 1.270 418 G CA 0.234 45.483 45.100 0.247 0.000 0.988 418 G HN 1.252 nan 8.290 nan 0.000 0.551 419 G N -0.202 108.758 108.800 0.267 0.000 2.462 419 G HA2 0.205 4.165 3.960 -0.000 0.000 0.220 419 G HA3 0.205 4.165 3.960 -0.000 0.000 0.220 419 G C 2.136 177.191 174.900 0.258 0.000 1.121 419 G CA 2.809 48.083 45.100 0.290 0.000 0.758 419 G HN 1.847 nan 8.290 nan 0.000 0.559 420 A N 0.296 123.197 122.820 0.134 0.000 1.940 420 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 420 A C 2.158 179.742 177.584 0.000 0.000 1.176 420 A CA 1.798 53.759 52.037 -0.126 0.000 0.631 420 A CB -0.689 18.137 19.000 -0.290 0.000 0.814 420 A HN 0.551 nan 8.150 nan 0.000 0.446 421 Y N 1.283 121.569 120.300 -0.023 0.000 2.097 421 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 421 Y C 1.934 177.817 175.900 -0.028 0.000 1.152 421 Y CA 1.994 60.068 58.100 -0.044 0.000 1.136 421 Y CB -0.439 38.000 38.460 -0.034 0.000 0.975 421 Y HN 0.369 nan 8.280 nan 0.000 0.498 422 D N -0.213 120.017 120.400 -0.282 0.000 2.104 422 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 422 D C 2.402 178.564 176.300 -0.230 0.000 0.994 422 D CA 1.971 55.774 54.000 -0.328 0.000 0.830 422 D CB -0.276 40.481 40.800 -0.072 0.000 0.959 422 D HN 0.366 nan 8.370 nan 0.000 0.452 423 V N 1.484 121.356 119.914 -0.069 0.000 2.287 423 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 423 V C 1.539 177.583 176.094 -0.083 0.000 1.053 423 V CA 0.993 63.304 62.300 0.020 0.000 1.027 423 V CB -0.291 31.625 31.823 0.155 0.000 0.646 423 V HN 0.241 nan 8.190 nan 0.000 0.447 424 M N 1.028 120.521 119.600 -0.178 0.000 3.442 424 M HA 0.235 4.715 4.480 -0.000 0.000 0.232 424 M C 1.319 177.278 176.300 -0.568 0.000 1.508 424 M CA 0.583 55.728 55.300 -0.259 0.000 1.647 424 M CB -1.228 31.284 32.600 -0.147 0.000 1.126 424 M HN 0.495 nan 8.290 nan 0.000 0.557 425 G N 2.190 110.280 108.800 -1.183 0.000 2.341 425 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.292 425 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.292 425 G C 0.466 174.983 174.900 -0.637 0.000 1.021 425 G CA 0.622 44.996 45.100 -1.211 0.000 0.905 425 G HN 0.768 nan 8.290 nan 0.000 0.508 426 S N -1.314 114.035 115.700 -0.584 0.000 2.584 426 S HA 0.334 4.804 4.470 -0.000 0.000 0.270 426 S C 1.437 175.747 174.600 -0.483 0.000 1.346 426 S CA 0.421 58.272 58.200 -0.583 0.000 1.018 426 S CB 1.583 64.324 63.200 -0.765 0.000 0.899 426 S HN 0.536 nan 8.310 nan 0.000 0.542 427 K N 0.134 120.205 120.400 -0.548 0.000 2.283 427 K HA -0.134 4.186 4.320 -0.000 0.000 0.202 427 K C 1.398 177.745 176.600 -0.422 0.000 1.048 427 K CA 1.141 57.166 56.287 -0.437 0.000 0.948 427 K CB -0.281 31.985 32.500 -0.390 0.000 0.742 427 K HN 0.757 nan 8.250 nan 0.000 0.458 428 H N -0.237 118.689 119.070 -0.239 0.000 2.521 428 H HA -0.064 4.492 4.556 -0.000 0.000 0.286 428 H C 1.458 176.688 175.328 -0.163 0.000 1.034 428 H CA 0.744 56.664 56.048 -0.213 0.000 1.278 428 H CB 0.254 29.857 29.762 -0.264 0.000 1.386 428 H HN 0.142 nan 8.280 nan 0.000 0.567 429 L N -0.605 120.552 121.223 -0.109 0.000 2.509 429 L HA 0.188 4.527 4.340 -0.000 0.000 0.222 429 L C 1.732 178.559 176.870 -0.072 0.000 1.123 429 L CA 1.160 55.951 54.840 -0.081 0.000 0.856 429 L CB 0.163 42.167 42.059 -0.091 0.000 0.985 429 L HN 0.506 nan 8.230 nan 0.000 0.456 430 G N -1.964 106.777 108.800 -0.098 0.000 2.227 430 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.168 430 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.168 430 G C 0.547 175.399 174.900 -0.080 0.000 1.006 430 G CA -0.182 44.874 45.100 -0.072 0.000 0.684 430 G HN 0.525 nan 8.290 nan 0.000 0.489 431 A N 0.499 123.242 122.820 -0.129 0.000 2.561 431 A HA 0.446 4.766 4.320 -0.000 0.000 0.234 431 A C 1.253 178.777 177.584 -0.100 0.000 1.055 431 A CA 1.237 53.196 52.037 -0.130 0.000 0.756 431 A CB 0.269 19.140 19.000 -0.216 0.000 0.986 431 A HN 0.252 nan 8.150 nan 0.000 0.505 432 D N 0.162 120.521 120.400 -0.068 0.000 2.197 432 D HA 0.064 4.704 4.640 -0.000 0.000 0.212 432 D C -0.034 176.237 176.300 -0.049 0.000 0.963 432 D CA 1.042 55.014 54.000 -0.046 0.000 0.864 432 D CB 0.069 40.856 40.800 -0.022 0.000 1.009 432 D HN 0.332 nan 8.370 nan 0.000 0.479 433 L N 1.197 122.386 121.223 -0.057 0.000 2.376 433 L HA 0.338 4.678 4.340 -0.000 0.000 0.275 433 L C -1.552 175.261 176.870 -0.094 0.000 0.987 433 L CA -0.483 54.324 54.840 -0.054 0.000 0.828 433 L CB 1.701 43.746 42.059 -0.024 0.000 1.249 433 L HN -0.261 nan 8.230 nan 0.000 0.409 434 N N 5.608 124.250 118.700 -0.097 0.000 2.524 434 N HA 0.588 5.328 4.740 -0.000 0.000 0.261 434 N C -1.445 174.001 175.510 -0.107 0.000 0.998 434 N CA -0.557 52.421 53.050 -0.120 0.000 0.915 434 N CB 1.516 39.931 38.487 -0.120 0.000 1.187 434 N HN 0.292 nan 8.380 nan 0.000 0.507 435 L N 1.377 122.523 121.223 -0.128 0.000 2.334 435 L HA 0.871 5.211 4.340 -0.000 0.000 0.275 435 L C 0.151 176.961 176.870 -0.100 0.000 1.036 435 L CA -0.948 53.821 54.840 -0.119 0.000 0.807 435 L CB 1.122 43.113 42.059 -0.114 0.000 1.231 435 L HN 0.522 nan 8.230 nan 0.000 0.438 436 A N 1.670 124.457 122.820 -0.055 0.000 2.422 436 A HA 0.674 4.994 4.320 -0.000 0.000 0.302 436 A C -1.372 176.282 177.584 0.117 0.000 1.041 436 A CA -0.547 51.462 52.037 -0.046 0.000 0.708 436 A CB 0.974 19.906 19.000 -0.113 0.000 1.257 436 A HN 0.555 nan 8.150 nan 0.000 0.414 437 W N 1.846 123.085 121.300 -0.102 0.000 2.183 437 W HA 0.449 5.109 4.660 -0.000 0.000 0.348 437 W C -1.950 174.500 176.519 -0.114 0.000 1.257 437 W CA -1.744 55.552 57.345 -0.083 0.000 1.324 437 W CB -0.063 29.362 29.460 -0.058 0.000 1.144 437 W HN 0.496 nan 8.180 nan 0.000 0.622 438 P HA -0.124 nan 4.420 nan 0.000 0.222 438 P C 1.317 178.654 177.300 0.062 0.000 1.147 438 P CA 2.117 65.252 63.100 0.058 0.000 0.790 438 P CB 0.010 31.763 31.700 0.088 0.000 0.780 439 T N -3.886 110.739 114.554 0.119 0.000 3.113 439 T HA 0.290 4.640 4.350 -0.000 0.000 0.256 439 T C 0.986 175.722 174.700 0.060 0.000 1.131 439 T CA -0.078 62.083 62.100 0.102 0.000 1.074 439 T CB -0.676 68.277 68.868 0.140 0.000 0.944 439 T HN 0.021 nan 8.240 nan 0.000 0.516 440 A N 1.543 124.374 122.820 0.019 0.000 2.483 440 A HA 0.389 4.709 4.320 -0.000 0.000 0.238 440 A C 0.143 177.656 177.584 -0.117 0.000 1.070 440 A CA -0.276 51.720 52.037 -0.068 0.000 0.770 440 A CB 0.090 19.020 19.000 -0.117 0.000 1.008 440 A HN 0.600 nan 8.150 nan 0.000 0.497 441 Q N 1.235 120.923 119.800 -0.186 0.000 2.347 441 Q HA 0.482 4.822 4.340 -0.000 0.000 0.265 441 Q C -1.434 174.229 176.000 -0.562 0.000 1.024 441 Q CA 0.053 55.690 55.803 -0.277 0.000 0.731 441 Q CB 1.723 30.367 28.738 -0.157 0.000 1.245 441 Q HN 0.690 nan 8.270 nan 0.000 0.472 442 I N 2.150 122.451 120.570 -0.448 0.000 2.359 442 I HA 0.733 4.903 4.170 -0.000 0.000 0.284 442 I C -0.332 175.538 176.117 -0.413 0.000 1.018 442 I CA -0.481 60.500 61.300 -0.532 0.000 1.173 442 I CB 1.193 38.901 38.000 -0.488 0.000 1.326 442 I HN 0.566 nan 8.210 nan 0.000 0.462 443 A N 4.716 127.293 122.820 -0.405 0.000 2.602 443 A HA 0.605 4.925 4.320 -0.000 0.000 0.290 443 A C 0.476 178.110 177.584 0.085 0.000 1.114 443 A CA -0.520 51.475 52.037 -0.070 0.000 0.683 443 A CB 1.171 20.262 19.000 0.151 0.000 1.281 443 A HN 0.308 nan 8.150 nan 0.000 0.416 444 V N 0.282 120.288 119.914 0.152 0.000 2.343 444 V HA -0.040 4.080 4.120 -0.000 0.000 0.247 444 V C 1.058 177.289 176.094 0.228 0.000 1.051 444 V CA 2.603 65.004 62.300 0.168 0.000 1.036 444 V CB -1.210 30.696 31.823 0.138 0.000 0.654 444 V HN 0.881 nan 8.190 nan 0.000 0.451 445 M N -2.008 117.751 119.600 0.265 0.000 2.924 445 M HA 0.697 5.177 4.480 -0.000 0.000 0.271 445 M C -0.013 176.365 176.300 0.130 0.000 1.280 445 M CA -0.506 54.903 55.300 0.182 0.000 0.813 445 M CB 1.430 34.063 32.600 0.055 0.000 1.658 445 M HN -0.013 nan 8.290 nan 0.000 0.467 446 G N -0.034 108.683 108.800 -0.138 0.000 2.544 446 G HA2 0.451 4.411 3.960 -0.000 0.000 0.242 446 G HA3 0.451 4.411 3.960 -0.000 0.000 0.242 446 G C 0.769 175.582 174.900 -0.145 0.000 1.247 446 G CA -0.066 44.887 45.100 -0.245 0.000 0.840 446 G HN 1.006 nan 8.290 nan 0.000 0.578 447 A N 0.844 123.613 122.820 -0.085 0.000 1.873 447 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 447 A C 2.259 179.696 177.584 -0.246 0.000 1.193 447 A CA 2.308 54.248 52.037 -0.162 0.000 0.629 447 A CB -0.851 18.182 19.000 0.055 0.000 0.826 447 A HN 0.785 nan 8.150 nan 0.000 0.447 448 Q N -0.831 118.888 119.800 -0.135 0.000 2.030 448 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 448 Q C 2.113 178.039 176.000 -0.124 0.000 0.986 448 Q CA 2.133 57.873 55.803 -0.105 0.000 0.843 448 Q CB -0.697 27.998 28.738 -0.071 0.000 0.904 448 Q HN 0.555 nan 8.270 nan 0.000 0.420 449 G N 0.236 108.959 108.800 -0.129 0.000 2.440 449 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 449 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 449 G C 1.481 176.296 174.900 -0.141 0.000 1.154 449 G CA 1.109 46.143 45.100 -0.109 0.000 0.767 449 G HN 0.548 nan 8.290 nan 0.000 0.552 450 A N 0.541 123.219 122.820 -0.237 0.000 1.877 450 A HA 0.009 4.328 4.320 -0.000 0.000 0.216 450 A C 2.737 180.152 177.584 -0.283 0.000 1.186 450 A CA 2.817 54.663 52.037 -0.318 0.000 0.620 450 A CB -0.921 17.680 19.000 -0.665 0.000 0.822 450 A HN 0.945 nan 8.150 nan 0.000 0.443 451 V N -1.613 118.142 119.914 -0.265 0.000 2.515 451 V HA -0.210 3.910 4.120 -0.000 0.000 0.250 451 V C 1.808 177.911 176.094 0.016 0.000 1.058 451 V CA 2.169 64.458 62.300 -0.019 0.000 1.064 451 V CB -1.166 30.711 31.823 0.091 0.000 0.675 451 V HN 0.464 nan 8.190 nan 0.000 0.461 452 N N 0.840 119.520 118.700 -0.033 0.000 2.289 452 N HA 0.001 4.741 4.740 -0.000 0.000 0.184 452 N C 1.736 177.231 175.510 -0.025 0.000 1.016 452 N CA 2.087 55.129 53.050 -0.013 0.000 0.872 452 N CB -0.180 38.292 38.487 -0.026 0.000 0.973 452 N HN 0.592 nan 8.380 nan 0.000 0.433 453 I N 0.384 120.916 120.570 -0.063 0.000 2.364 453 I HA -0.088 4.082 4.170 -0.000 0.000 0.241 453 I C 1.898 177.952 176.117 -0.105 0.000 1.082 453 I CA 0.448 61.709 61.300 -0.065 0.000 1.401 453 I CB -0.263 37.699 38.000 -0.063 0.000 1.126 453 I HN -0.062 nan 8.210 nan 0.000 0.429 454 L N 0.609 121.714 121.223 -0.198 0.000 2.353 454 L HA -0.169 4.170 4.340 -0.000 0.000 0.220 454 L C 1.106 177.647 176.870 -0.549 0.000 1.133 454 L CA 1.055 55.670 54.840 -0.375 0.000 0.798 454 L CB -0.518 41.247 42.059 -0.491 0.000 0.922 454 L HN 0.438 nan 8.230 nan 0.000 0.445 455 H N -1.708 117.367 119.070 0.009 0.000 2.637 455 H HA 0.174 4.730 4.556 -0.000 0.000 0.245 455 H C 1.314 176.644 175.328 0.004 0.000 1.190 455 H CA -0.207 55.848 56.048 0.012 0.000 0.934 455 H CB 0.271 30.043 29.762 0.016 0.000 1.950 455 H HN 0.193 nan 8.280 nan 0.000 0.614 456 R N 1.064 121.599 120.500 0.058 0.000 2.103 456 R HA -0.170 4.170 4.340 -0.000 0.000 0.242 456 R C 1.288 177.615 176.300 0.045 0.000 1.142 456 R CA 1.709 57.832 56.100 0.038 0.000 0.960 456 R CB 0.344 30.651 30.300 0.012 0.000 0.858 456 R HN 0.059 nan 8.270 nan 0.000 0.439 457 R N -1.084 119.446 120.500 0.052 0.000 2.112 457 R HA 0.091 4.431 4.340 -0.000 0.000 0.216 457 R C 2.189 178.519 176.300 0.051 0.000 1.080 457 R CA 1.531 57.657 56.100 0.044 0.000 0.996 457 R CB -0.545 29.777 30.300 0.037 0.000 0.902 457 R HN 0.176 nan 8.270 nan 0.000 0.449 458 T N 0.907 115.509 114.554 0.081 0.000 2.803 458 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 458 T C 1.469 176.189 174.700 0.033 0.000 1.052 458 T CA 1.237 63.374 62.100 0.061 0.000 1.136 458 T CB -0.158 68.758 68.868 0.080 0.000 0.864 458 T HN -0.010 nan 8.240 nan 0.000 0.467 459 I N 1.056 121.653 120.570 0.046 0.000 2.400 459 I HA 0.125 4.295 4.170 -0.000 0.000 0.248 459 I C 2.581 178.710 176.117 0.019 0.000 1.109 459 I CA 0.446 61.761 61.300 0.026 0.000 1.425 459 I CB -0.847 37.173 38.000 0.034 0.000 1.094 459 I HN 0.140 nan 8.210 nan 0.000 0.425 460 A N -0.130 122.704 122.820 0.023 0.000 1.841 460 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 460 A C 1.172 178.764 177.584 0.013 0.000 1.199 460 A CA 1.293 53.340 52.037 0.016 0.000 0.621 460 A CB -0.896 18.114 19.000 0.017 0.000 0.835 460 A HN 0.322 nan 8.150 nan 0.000 0.445 461 D N -1.263 119.147 120.400 0.016 0.000 2.390 461 D HA 0.320 4.959 4.640 -0.000 0.000 0.236 461 D C 0.870 177.175 176.300 0.008 0.000 1.189 461 D CA 1.430 55.437 54.000 0.012 0.000 0.887 461 D CB 0.284 41.093 40.800 0.015 0.000 1.198 461 D HN 0.945 nan 8.370 nan 0.000 0.444 462 A N 1.160 123.984 122.820 0.006 0.000 2.822 462 A HA -0.182 4.138 4.320 -0.000 0.000 0.287 462 A C 1.768 179.354 177.584 0.002 0.000 1.479 462 A CA 1.291 53.330 52.037 0.002 0.000 0.779 462 A CB -2.052 16.948 19.000 -0.000 0.000 1.022 462 A HN 0.740 nan 8.150 nan 0.000 0.532 463 G N -0.325 108.477 108.800 0.003 0.000 2.517 463 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.222 463 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.222 463 G C 0.438 175.339 174.900 0.001 0.000 1.109 463 G CA 0.812 45.914 45.100 0.003 0.000 0.746 463 G HN 0.789 nan 8.290 nan 0.000 0.576 464 D N 1.417 121.817 120.400 0.001 0.000 2.383 464 D HA 0.134 4.774 4.640 -0.000 0.000 0.275 464 D C 0.451 176.750 176.300 -0.001 0.000 1.344 464 D CA 0.875 54.875 54.000 0.000 0.000 0.984 464 D CB 0.285 41.085 40.800 -0.000 0.000 1.104 464 D HN 0.324 nan 8.370 nan 0.000 0.524 465 D N 1.772 122.172 120.400 -0.001 0.000 2.716 465 D HA -0.243 4.397 4.640 -0.000 0.000 0.239 465 D C 1.042 177.340 176.300 -0.003 0.000 1.125 465 D CA 0.755 54.754 54.000 -0.002 0.000 0.681 465 D CB -0.872 39.926 40.800 -0.002 0.000 1.070 465 D HN 0.404 nan 8.370 nan 0.000 0.432 466 A N -0.096 122.724 122.820 -0.001 0.000 1.940 466 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 466 A C 1.376 178.959 177.584 -0.002 0.000 1.176 466 A CA 1.821 53.857 52.037 -0.001 0.000 0.631 466 A CB -0.169 18.832 19.000 0.002 0.000 0.814 466 A HN 0.522 nan 8.150 nan 0.000 0.446 467 E N -1.918 118.281 120.200 -0.002 0.000 2.605 467 E HA 0.437 4.787 4.350 -0.000 0.000 0.255 467 E C 0.849 177.447 176.600 -0.004 0.000 1.369 467 E CA 0.772 57.171 56.400 -0.002 0.000 1.017 467 E CB 0.167 29.866 29.700 -0.002 0.000 1.086 467 E HN 1.101 nan 8.360 nan 0.000 0.605 468 A N 0.012 122.830 122.820 -0.004 0.000 2.798 468 A HA -0.266 4.054 4.320 -0.000 0.000 0.282 468 A C 1.051 178.630 177.584 -0.009 0.000 1.464 468 A CA 1.982 54.017 52.037 -0.004 0.000 0.844 468 A CB -2.181 16.817 19.000 -0.004 0.000 1.006 468 A HN 0.502 nan 8.150 nan 0.000 0.577 469 T N -1.806 112.740 114.554 -0.013 0.000 3.250 469 T HA 0.109 4.459 4.350 -0.000 0.000 0.265 469 T C 1.758 176.439 174.700 -0.032 0.000 0.973 469 T CA 0.682 62.768 62.100 -0.024 0.000 1.040 469 T CB -0.023 68.830 68.868 -0.024 0.000 1.167 469 T HN 0.829 nan 8.240 nan 0.000 0.471 470 R N 1.861 122.351 120.500 -0.018 0.000 2.115 470 R HA 0.293 4.633 4.340 -0.000 0.000 0.226 470 R C 2.370 178.669 176.300 -0.002 0.000 1.100 470 R CA 1.379 57.474 56.100 -0.010 0.000 0.980 470 R CB -0.476 29.827 30.300 0.005 0.000 0.875 470 R HN 0.250 nan 8.270 nan 0.000 0.445 471 A N 1.861 124.681 122.820 -0.001 0.000 1.902 471 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 471 A C 2.324 179.914 177.584 0.010 0.000 1.181 471 A CA 1.532 53.573 52.037 0.006 0.000 0.623 471 A CB -0.614 18.388 19.000 0.003 0.000 0.818 471 A HN 0.474 nan 8.150 nan 0.000 0.443 472 R N -0.967 119.532 120.500 -0.001 0.000 2.062 472 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 472 R C 1.903 178.205 176.300 0.004 0.000 1.136 472 R CA 1.527 57.627 56.100 -0.001 0.000 0.948 472 R CB -0.444 29.847 30.300 -0.015 0.000 0.845 472 R HN 0.350 nan 8.270 nan 0.000 0.430 473 L N 1.132 122.342 121.223 -0.022 0.000 2.081 473 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 473 L C 2.254 179.175 176.870 0.085 0.000 1.080 473 L CA 1.603 56.429 54.840 -0.024 0.000 0.754 473 L CB -0.478 41.495 42.059 -0.143 0.000 0.893 473 L HN 0.311 nan 8.230 nan 0.000 0.433 474 I N -1.100 119.511 120.570 0.069 0.000 2.252 474 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 474 I C 2.583 178.775 176.117 0.125 0.000 1.102 474 I CA 1.138 62.493 61.300 0.092 0.000 1.385 474 I CB -0.328 37.697 38.000 0.040 0.000 1.064 474 I HN 0.437 nan 8.210 nan 0.000 0.414 475 Q N 1.483 121.332 119.800 0.083 0.000 2.119 475 Q HA -0.229 4.111 4.340 -0.000 0.000 0.201 475 Q C 1.738 177.792 176.000 0.090 0.000 0.972 475 Q CA 1.695 57.545 55.803 0.078 0.000 0.847 475 Q CB -0.059 28.707 28.738 0.047 0.000 0.903 475 Q HN 0.582 nan 8.270 nan 0.000 0.433 476 E N -0.690 119.562 120.200 0.088 0.000 2.107 476 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 476 E C 1.826 178.488 176.600 0.103 0.000 0.982 476 E CA 0.960 57.405 56.400 0.074 0.000 0.809 476 E CB -0.256 29.475 29.700 0.052 0.000 0.756 476 E HN 0.368 nan 8.360 nan 0.000 0.459 477 Y N 2.693 123.027 120.300 0.057 0.000 2.163 477 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 477 Y C 2.241 178.184 175.900 0.072 0.000 1.136 477 Y CA 1.946 60.092 58.100 0.076 0.000 1.147 477 Y CB 0.068 38.586 38.460 0.097 0.000 0.987 477 Y HN 0.039 nan 8.280 nan 0.000 0.509 478 E N -1.203 119.181 120.200 0.305 0.000 2.150 478 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 478 E C 1.270 177.937 176.600 0.111 0.000 0.985 478 E CA 1.432 57.968 56.400 0.227 0.000 0.814 478 E CB -0.387 29.430 29.700 0.194 0.000 0.752 478 E HN 0.453 nan 8.360 nan 0.000 0.466 479 D N 0.976 121.421 120.400 0.076 0.000 2.277 479 D HA 0.018 4.658 4.640 -0.000 0.000 0.208 479 D C 1.774 178.081 176.300 0.011 0.000 0.962 479 D CA 1.194 55.221 54.000 0.045 0.000 0.865 479 D CB 0.239 41.060 40.800 0.036 0.000 0.939 479 D HN 0.329 nan 8.370 nan 0.000 0.510 480 A N 0.100 122.900 122.820 -0.034 0.000 1.924 480 A HA 0.034 4.354 4.320 -0.000 0.000 0.211 480 A C 1.840 179.359 177.584 -0.107 0.000 1.198 480 A CA 0.507 52.498 52.037 -0.078 0.000 0.657 480 A CB 0.116 19.044 19.000 -0.119 0.000 0.852 480 A HN 0.090 nan 8.150 nan 0.000 0.454 481 L N -1.253 119.859 121.223 -0.185 0.000 2.575 481 L HA 0.291 4.631 4.340 -0.000 0.000 0.228 481 L C 0.116 176.961 176.870 -0.041 0.000 1.075 481 L CA 0.576 55.313 54.840 -0.171 0.000 0.867 481 L CB -0.899 40.920 42.059 -0.399 0.000 1.097 481 L HN 0.201 nan 8.230 nan 0.000 0.485 482 L N 2.957 124.204 121.223 0.040 0.000 2.437 482 L HA 0.205 4.545 4.340 -0.000 0.000 0.243 482 L C 0.524 177.411 176.870 0.028 0.000 1.346 482 L CA 0.240 55.127 54.840 0.078 0.000 1.233 482 L CB -1.167 41.012 42.059 0.201 0.000 1.436 482 L HN 0.420 nan 8.230 nan 0.000 0.416 483 N N -0.077 118.607 118.700 -0.027 0.000 3.316 483 N HA 0.515 5.255 4.740 -0.000 0.000 0.300 483 N C -2.826 172.571 175.510 -0.189 0.000 1.567 483 N CA -1.112 51.906 53.050 -0.053 0.000 0.821 483 N CB 1.841 40.398 38.487 0.115 0.000 1.748 483 N HN -0.215 nan 8.380 nan 0.000 0.603 484 P HA 0.209 nan 4.420 nan 0.000 0.282 484 P C 0.221 177.278 177.300 -0.406 0.000 1.373 484 P CA 0.179 63.038 63.100 -0.401 0.000 1.001 484 P CB -0.028 31.416 31.700 -0.427 0.000 1.489 485 Y N 0.357 120.618 120.300 -0.065 0.000 2.439 485 Y HA -0.039 4.511 4.550 -0.000 0.000 0.292 485 Y C 2.469 178.316 175.900 -0.089 0.000 1.130 485 Y CA 1.425 59.486 58.100 -0.066 0.000 1.254 485 Y CB -1.437 36.991 38.460 -0.053 0.000 1.000 485 Y HN -0.056 nan 8.280 nan 0.000 0.554 486 T N -0.589 113.966 114.554 0.001 0.000 2.942 486 T HA -0.028 4.322 4.350 -0.000 0.000 0.265 486 T C 2.228 176.842 174.700 -0.143 0.000 1.062 486 T CA 0.968 63.031 62.100 -0.063 0.000 1.139 486 T CB -0.325 68.498 68.868 -0.077 0.000 0.883 486 T HN 0.404 nan 8.240 nan 0.000 0.468 487 A N 1.482 124.218 122.820 -0.141 0.000 1.930 487 A HA 0.251 4.571 4.320 -0.000 0.000 0.217 487 A C 2.589 180.088 177.584 -0.141 0.000 1.175 487 A CA 1.587 53.535 52.037 -0.147 0.000 0.627 487 A CB -0.937 18.023 19.000 -0.067 0.000 0.815 487 A HN 0.476 nan 8.150 nan 0.000 0.443 488 A N -0.100 122.666 122.820 -0.090 0.000 1.969 488 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 488 A C 1.881 179.435 177.584 -0.050 0.000 1.169 488 A CA 1.524 53.535 52.037 -0.044 0.000 0.635 488 A CB -0.472 18.530 19.000 0.005 0.000 0.810 488 A HN 0.636 nan 8.150 nan 0.000 0.445 489 E N -0.409 119.750 120.200 -0.069 0.000 2.077 489 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 489 E C 1.872 178.394 176.600 -0.130 0.000 0.989 489 E CA 0.951 57.305 56.400 -0.077 0.000 0.800 489 E CB -0.125 29.529 29.700 -0.078 0.000 0.746 489 E HN 0.406 nan 8.360 nan 0.000 0.452 490 R N -0.448 119.894 120.500 -0.264 0.000 2.299 490 R HA 0.054 4.394 4.340 -0.000 0.000 0.197 490 R C 1.319 177.498 176.300 -0.201 0.000 0.971 490 R CA 0.781 56.655 56.100 -0.377 0.000 1.030 490 R CB 0.057 29.752 30.300 -1.008 0.000 0.932 490 R HN 0.305 nan 8.270 nan 0.000 0.477 491 G N 1.005 109.742 108.800 -0.104 0.000 2.160 491 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.251 491 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.251 491 G C 0.629 175.628 174.900 0.165 0.000 1.008 491 G CA 0.373 45.489 45.100 0.027 0.000 0.724 491 G HN 0.503 nan 8.290 nan 0.000 0.514 492 Y N -0.589 119.726 120.300 0.024 0.000 2.421 492 Y HA 0.108 4.658 4.550 -0.000 0.000 0.292 492 Y C 1.790 177.662 175.900 -0.046 0.000 1.136 492 Y CA 0.882 58.994 58.100 0.020 0.000 1.255 492 Y CB 0.281 38.833 38.460 0.154 0.000 0.991 492 Y HN 0.476 nan 8.280 nan 0.000 0.552 493 V N -3.316 116.667 119.914 0.116 0.000 2.680 493 V HA 0.255 4.375 4.120 -0.000 0.000 0.309 493 V C -0.040 176.053 176.094 -0.002 0.000 1.052 493 V CA -1.022 61.289 62.300 0.018 0.000 0.908 493 V CB 2.014 33.826 31.823 -0.019 0.000 1.001 493 V HN 0.025 nan 8.190 nan 0.000 0.431 494 D N 2.487 122.871 120.400 -0.026 0.000 2.317 494 D HA 0.333 4.973 4.640 -0.000 0.000 0.211 494 D C 0.691 176.974 176.300 -0.029 0.000 0.966 494 D CA 1.708 55.696 54.000 -0.019 0.000 0.876 494 D CB 1.072 41.859 40.800 -0.022 0.000 0.927 494 D HN 1.001 nan 8.370 nan 0.000 0.519 495 A N -0.006 122.778 122.820 -0.059 0.000 2.590 495 A HA 0.417 4.737 4.320 -0.000 0.000 0.296 495 A C -1.339 176.198 177.584 -0.078 0.000 1.050 495 A CA -0.644 51.354 52.037 -0.065 0.000 0.697 495 A CB 1.276 20.209 19.000 -0.111 0.000 1.277 495 A HN -0.105 nan 8.150 nan 0.000 0.411 496 V N 3.122 123.014 119.914 -0.036 0.000 2.370 496 V HA 0.602 4.722 4.120 -0.000 0.000 0.279 496 V C 0.161 176.263 176.094 0.013 0.000 1.029 496 V CA -0.071 62.208 62.300 -0.035 0.000 0.870 496 V CB 0.694 32.486 31.823 -0.052 0.000 0.984 496 V HN 0.901 nan 8.190 nan 0.000 0.451 497 I N 1.683 122.271 120.570 0.030 0.000 3.002 497 I HA 0.662 4.832 4.170 -0.000 0.000 0.310 497 I C -0.307 175.805 176.117 -0.009 0.000 1.087 497 I CA -1.142 60.180 61.300 0.037 0.000 1.017 497 I CB 2.075 40.088 38.000 0.021 0.000 1.226 497 I HN 0.295 nan 8.210 nan 0.000 0.443 498 M N 3.242 122.817 119.600 -0.042 0.000 2.219 498 M HA 0.230 4.710 4.480 -0.000 0.000 0.353 498 M C -1.727 174.355 176.300 -0.363 0.000 1.304 498 M CA -1.876 53.325 55.300 -0.165 0.000 1.115 498 M CB 0.215 32.757 32.600 -0.097 0.000 1.664 498 M HN 0.441 nan 8.290 nan 0.000 0.459 499 P HA -0.169 nan 4.420 nan 0.000 0.217 499 P C 1.256 178.190 177.300 -0.611 0.000 1.151 499 P CA 1.643 63.856 63.100 -1.478 0.000 0.849 499 P CB 0.050 30.633 31.700 -1.862 0.000 0.787 500 S N -2.095 113.393 115.700 -0.352 0.000 2.474 500 S HA -0.097 4.373 4.470 -0.000 0.000 0.235 500 S C 1.412 175.993 174.600 -0.032 0.000 0.997 500 S CA 1.009 59.124 58.200 -0.142 0.000 0.949 500 S CB -0.817 62.319 63.200 -0.106 0.000 0.766 500 S HN 0.096 nan 8.310 nan 0.000 0.517 501 D N 1.202 121.596 120.400 -0.010 0.000 2.339 501 D HA 0.146 4.786 4.640 -0.000 0.000 0.217 501 D C 1.184 177.610 176.300 0.210 0.000 1.050 501 D CA 0.323 54.378 54.000 0.092 0.000 0.856 501 D CB 0.062 40.941 40.800 0.132 0.000 0.922 501 D HN 0.384 nan 8.370 nan 0.000 0.518 502 T N 0.465 115.153 114.554 0.222 0.000 2.684 502 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 502 T C 1.967 176.841 174.700 0.289 0.000 1.036 502 T CA 0.991 63.301 62.100 0.351 0.000 1.148 502 T CB 0.135 69.314 68.868 0.517 0.000 0.863 502 T HN 0.186 nan 8.240 nan 0.000 0.436 503 R N 0.739 121.372 120.500 0.223 0.000 2.081 503 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 503 R C 2.632 179.011 176.300 0.132 0.000 1.131 503 R CA 1.352 57.560 56.100 0.180 0.000 0.960 503 R CB -0.139 30.248 30.300 0.145 0.000 0.856 503 R HN 0.282 nan 8.270 nan 0.000 0.436 504 R N -0.595 119.958 120.500 0.090 0.000 2.080 504 R HA -0.183 4.157 4.340 -0.000 0.000 0.236 504 R C 2.150 178.443 176.300 -0.011 0.000 1.137 504 R CA 1.875 57.979 56.100 0.006 0.000 0.943 504 R CB -0.382 29.877 30.300 -0.068 0.000 0.846 504 R HN 0.422 nan 8.270 nan 0.000 0.431 505 H N 0.271 119.387 119.070 0.076 0.000 2.353 505 H HA -0.102 4.454 4.556 -0.000 0.000 0.300 505 H C 2.233 177.600 175.328 0.066 0.000 1.090 505 H CA 1.866 57.955 56.048 0.068 0.000 1.327 505 H CB -0.066 29.743 29.762 0.077 0.000 1.383 505 H HN 0.295 nan 8.280 nan 0.000 0.508 506 I N -0.115 120.577 120.570 0.203 0.000 2.252 506 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 506 I C 2.544 178.729 176.117 0.113 0.000 1.102 506 I CA 0.648 62.036 61.300 0.146 0.000 1.385 506 I CB -0.197 37.903 38.000 0.165 0.000 1.064 506 I HN 0.006 nan 8.210 nan 0.000 0.414 507 V N 1.896 121.871 119.914 0.101 0.000 2.261 507 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 507 V C 2.760 178.888 176.094 0.056 0.000 1.047 507 V CA 2.153 64.499 62.300 0.076 0.000 1.015 507 V CB -0.851 31.009 31.823 0.063 0.000 0.642 507 V HN 0.528 nan 8.190 nan 0.000 0.446 508 R N 1.252 121.776 120.500 0.039 0.000 2.115 508 R HA -0.071 4.269 4.340 -0.000 0.000 0.230 508 R C 2.108 178.435 176.300 0.046 0.000 1.111 508 R CA 2.093 58.208 56.100 0.025 0.000 0.976 508 R CB -1.285 29.007 30.300 -0.014 0.000 0.870 508 R HN 0.450 nan 8.270 nan 0.000 0.445 509 G N 1.702 110.544 108.800 0.071 0.000 2.394 509 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.214 509 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.214 509 G C 1.776 176.708 174.900 0.054 0.000 1.176 509 G CA 0.565 45.707 45.100 0.070 0.000 0.786 509 G HN 0.257 nan 8.290 nan 0.000 0.533 510 L N -0.112 121.147 121.223 0.060 0.000 2.131 510 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 510 L C 3.178 180.077 176.870 0.047 0.000 1.092 510 L CA 0.858 55.732 54.840 0.057 0.000 0.759 510 L CB -0.320 41.781 42.059 0.071 0.000 0.903 510 L HN 0.183 nan 8.230 nan 0.000 0.435 511 R N -0.462 120.064 120.500 0.044 0.000 2.083 511 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 511 R C 2.343 178.660 176.300 0.029 0.000 1.137 511 R CA 1.362 57.482 56.100 0.034 0.000 0.951 511 R CB -0.250 30.068 30.300 0.030 0.000 0.851 511 R HN 0.458 nan 8.270 nan 0.000 0.434 512 Q N 0.029 119.846 119.800 0.029 0.000 2.137 512 Q HA -0.063 4.277 4.340 -0.000 0.000 0.198 512 Q C 2.004 178.018 176.000 0.023 0.000 0.960 512 Q CA 0.919 56.736 55.803 0.025 0.000 0.847 512 Q CB 0.084 28.838 28.738 0.026 0.000 0.915 512 Q HN 0.214 nan 8.270 nan 0.000 0.448 513 L N 0.950 122.190 121.223 0.027 0.000 2.313 513 L HA -0.085 4.255 4.340 -0.000 0.000 0.214 513 L C 2.295 179.179 176.870 0.024 0.000 1.119 513 L CA 1.217 56.071 54.840 0.024 0.000 0.809 513 L CB -0.620 41.455 42.059 0.026 0.000 0.933 513 L HN 0.233 nan 8.230 nan 0.000 0.449 514 R N -0.376 120.140 120.500 0.028 0.000 2.249 514 R HA -0.112 4.228 4.340 -0.000 0.000 0.230 514 R C 1.194 177.506 176.300 0.019 0.000 1.121 514 R CA 1.598 57.714 56.100 0.027 0.000 0.997 514 R CB -1.184 29.134 30.300 0.029 0.000 0.867 514 R HN 0.446 nan 8.270 nan 0.000 0.465 515 T N -1.881 112.682 114.554 0.016 0.000 3.163 515 T HA 0.115 4.465 4.350 -0.000 0.000 0.252 515 T C 0.425 175.130 174.700 0.009 0.000 1.056 515 T CA -0.611 61.496 62.100 0.011 0.000 0.947 515 T CB 0.131 69.005 68.868 0.009 0.000 1.016 515 T HN 0.232 nan 8.240 nan 0.000 0.554 516 K N 2.041 122.448 120.400 0.011 0.000 2.472 516 K HA 0.059 4.379 4.320 -0.000 0.000 0.280 516 K C -0.523 176.079 176.600 0.004 0.000 1.028 516 K CA 0.084 56.375 56.287 0.007 0.000 1.045 516 K CB 0.350 32.855 32.500 0.009 0.000 0.902 516 K HN 0.313 nan 8.250 nan 0.000 0.478 517 R N 3.872 124.372 120.500 0.000 0.000 2.473 517 R HA 0.261 4.601 4.340 -0.000 0.000 0.303 517 R C -1.013 175.283 176.300 -0.006 0.000 1.002 517 R CA -0.737 55.361 56.100 -0.003 0.000 0.884 517 R CB 1.567 31.865 30.300 -0.003 0.000 1.173 517 R HN 0.636 nan 8.270 nan 0.000 0.464 518 E N 1.152 121.347 120.200 -0.009 0.000 2.408 518 E HA 0.428 4.778 4.350 -0.000 0.000 0.275 518 E C -1.162 175.428 176.600 -0.017 0.000 0.935 518 E CA -0.638 55.754 56.400 -0.013 0.000 0.775 518 E CB 2.602 32.293 29.700 -0.014 0.000 1.277 518 E HN 0.620 nan 8.360 nan 0.000 0.455 519 S N 0.477 116.165 115.700 -0.020 0.000 2.533 519 S HA 0.614 5.084 4.470 -0.000 0.000 0.271 519 S C -0.749 173.836 174.600 -0.027 0.000 1.143 519 S CA -0.829 57.357 58.200 -0.022 0.000 0.891 519 S CB 0.981 64.169 63.200 -0.019 0.000 1.105 519 S HN 0.215 nan 8.310 nan 0.000 0.468 520 L N 1.473 122.678 121.223 -0.031 0.000 2.479 520 L HA 0.589 4.929 4.340 -0.000 0.000 0.249 520 L C -2.076 174.777 176.870 -0.029 0.000 1.178 520 L CA -1.679 53.140 54.840 -0.036 0.000 0.811 520 L CB -0.824 41.208 42.059 -0.045 0.000 1.187 520 L HN 0.516 nan 8.230 nan 0.000 0.480 521 P HA 0.136 nan 4.420 nan 0.000 0.269 521 P C -2.497 174.789 177.300 -0.023 0.000 1.209 521 P CA -0.813 62.272 63.100 -0.025 0.000 0.776 521 P CB -0.357 31.328 31.700 -0.025 0.000 0.876 522 P HA 0.099 nan 4.420 nan 0.000 0.268 522 P C -0.684 176.597 177.300 -0.032 0.000 1.204 522 P CA 0.267 63.352 63.100 -0.026 0.000 0.768 522 P CB 0.559 32.244 31.700 -0.025 0.000 0.842 523 K N 0.341 120.718 120.400 -0.038 0.000 2.642 523 K HA 0.299 4.619 4.320 -0.000 0.000 0.290 523 K C 0.115 176.666 176.600 -0.083 0.000 1.006 523 K CA -1.054 55.196 56.287 -0.062 0.000 0.869 523 K CB 1.021 33.493 32.500 -0.048 0.000 1.499 523 K HN -0.062 nan 8.250 nan 0.000 0.403 524 K N -0.155 120.148 120.400 -0.163 0.000 2.031 524 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 524 K C -0.026 176.500 176.600 -0.122 0.000 1.049 524 K CA 1.998 58.172 56.287 -0.187 0.000 0.939 524 K CB -0.229 32.071 32.500 -0.333 0.000 0.717 524 K HN 0.806 nan 8.250 nan 0.000 0.438 525 H N -4.039 115.035 119.070 0.007 0.000 2.969 525 H HA 0.380 4.936 4.556 -0.000 0.000 0.304 525 H C -0.305 175.052 175.328 0.047 0.000 1.400 525 H CA -0.711 55.348 56.048 0.019 0.000 1.182 525 H CB 0.238 30.002 29.762 0.003 0.000 1.865 525 H HN 0.067 nan 8.280 nan 0.000 0.512 526 G N -0.776 108.219 108.800 0.325 0.000 2.588 526 G HA2 0.199 4.159 3.960 -0.000 0.000 0.278 526 G HA3 0.199 4.159 3.960 -0.000 0.000 0.278 526 G C -0.373 174.710 174.900 0.305 0.000 1.307 526 G CA -0.507 44.797 45.100 0.340 0.000 1.016 526 G HN 0.904 nan 8.290 nan 0.000 0.503 527 N N -0.566 118.253 118.700 0.199 0.000 2.644 527 N HA 0.134 4.874 4.740 -0.000 0.000 0.313 527 N C 0.164 175.573 175.510 -0.169 0.000 1.863 527 N CA -0.466 52.611 53.050 0.045 0.000 0.918 527 N CB 0.283 38.823 38.487 0.089 0.000 1.320 527 N HN 0.431 nan 8.380 nan 0.000 0.490 528 I N 1.579 121.815 120.570 -0.557 0.000 2.880 528 I HA 0.015 4.185 4.170 -0.000 0.000 0.296 528 I C -1.986 173.865 176.117 -0.444 0.000 1.220 528 I CA -0.972 59.706 61.300 -1.036 0.000 1.435 528 I CB 0.772 38.034 38.000 -1.231 0.000 1.339 528 I HN 0.201 nan 8.210 nan 0.000 0.583 529 P HA 0.112 nan 4.420 nan 0.000 0.268 529 P C -0.896 176.312 177.300 -0.154 0.000 1.205 529 P CA -0.112 62.894 63.100 -0.156 0.000 0.771 529 P CB 0.633 32.280 31.700 -0.089 0.000 0.858 530 L N 0.000 121.157 121.223 -0.111 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.782 54.840 -0.096 0.000 0.813 530 L CB 0.000 41.998 42.059 -0.102 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502