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 3eom_1_A DATA FIRST_RESID 4 DATA SEQUENCE ATFHWDDPLL LDQQLADDER MVRDAAHAYA QGKLAPRVTE AFRHETTDAA DATA SEQUENCE IFREMGEIGL LGPTIPEQYG GPGLDYVSYG LIAREVERVD SGYRSMMSVQ DATA SEQUENCE SSLVMVPIFE FGSDAQKEKY LPKLATGEWI GCFGLTEPXX XXDPGSMVTR DATA SEQUENCE ARKVPGGYSL SGSKMWITNS PIADVFVVWA KLDEDGRDEI RGFILEKGCK DATA SEQUENCE GLSAPAIHGK VGLRASITGE IVLDEAFVPE ENILPHVKGL RGPFTCLNSA DATA SEQUENCE RYGIAWGALG AAESCWHIAR QYVLDRKQFG RPLAANQLIQ KKLADMQTEI DATA SEQUENCE TLGLQGVLRL GRMKDEGTAA VEITSIMKRN SCGKALDIAR LARDMLGGNG DATA SEQUENCE XSDEFGVARH LVNLEVVNTY EGTHDIHALI LGRAQTGIQA FF 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.645 177.584 0.101 0.000 1.274 4 A CA 0.000 52.087 52.037 0.083 0.000 0.836 4 A CB 0.000 19.053 19.000 0.088 0.000 0.831 5 T N -0.854 113.771 114.554 0.119 0.000 2.952 5 T HA 0.735 5.099 4.350 0.022 0.000 0.286 5 T C -0.146 174.678 174.700 0.207 0.000 1.024 5 T CA -0.637 61.534 62.100 0.119 0.000 1.029 5 T CB 1.150 70.036 68.868 0.030 0.000 1.094 5 T HN 0.981 nan 8.240 nan 0.000 0.515 6 F N 1.356 121.317 119.950 0.018 0.000 2.412 6 F HA 0.381 4.921 4.527 0.022 0.000 0.348 6 F C -0.012 175.765 175.800 -0.038 0.000 1.102 6 F CA -0.620 57.420 58.000 0.066 0.000 1.196 6 F CB 0.564 39.618 39.000 0.091 0.000 1.144 6 F HN 0.678 nan 8.300 nan 0.000 0.541 7 H N 6.887 125.586 119.070 -0.618 0.000 2.691 7 H HA 0.075 4.645 4.556 0.023 0.000 0.281 7 H C 0.461 175.158 175.328 -1.052 0.000 1.121 7 H CA -0.771 54.885 56.048 -0.654 0.000 1.254 7 H CB 0.250 29.767 29.762 -0.408 0.000 1.390 7 H HN 0.738 nan 8.280 nan 0.000 0.491 8 W N 3.679 124.526 121.300 -0.754 0.000 2.421 8 W HA -0.100 4.574 4.660 0.023 0.000 0.270 8 W C -0.060 176.459 176.519 -0.001 0.000 1.233 8 W CA 1.046 58.139 57.345 -0.420 0.000 1.226 8 W CB -0.002 29.471 29.460 0.023 0.000 1.121 8 W HN 0.531 nan 8.180 nan 0.000 0.579 9 D N -0.241 119.594 120.400 -0.941 0.000 2.354 9 D HA -0.051 4.602 4.640 0.022 0.000 0.209 9 D C -0.195 175.958 176.300 -0.246 0.000 1.015 9 D CA 0.325 53.790 54.000 -0.891 0.000 0.867 9 D CB -0.347 39.555 40.800 -1.497 0.000 0.933 9 D HN 0.069 nan 8.370 nan 0.000 0.520 10 D N -0.178 120.093 120.400 -0.215 0.000 3.118 10 D HA 0.167 4.820 4.640 0.022 0.000 0.259 10 D C -2.170 174.056 176.300 -0.123 0.000 1.292 10 D CA -1.406 52.522 54.000 -0.120 0.000 0.784 10 D CB 1.296 41.990 40.800 -0.176 0.000 1.413 10 D HN -0.230 nan 8.370 nan 0.000 0.583 11 P HA -0.054 nan 4.420 nan 0.000 0.215 11 P C 1.403 178.736 177.300 0.056 0.000 1.153 11 P CA 0.872 63.979 63.100 0.012 0.000 0.853 11 P CB 0.325 32.142 31.700 0.195 0.000 0.788 12 L N -1.423 119.815 121.223 0.024 0.000 2.612 12 L HA 0.141 4.494 4.340 0.022 0.000 0.230 12 L C 0.430 177.283 176.870 -0.029 0.000 1.140 12 L CA -0.132 54.716 54.840 0.014 0.000 0.896 12 L CB -0.677 41.389 42.059 0.011 0.000 1.065 12 L HN -0.069 nan 8.230 nan 0.000 0.447 13 L N 0.444 121.616 121.223 -0.085 0.000 3.795 13 L HA -0.271 4.082 4.340 0.022 0.000 0.489 13 L C 1.558 178.378 176.870 -0.084 0.000 1.259 13 L CA -0.044 54.708 54.840 -0.147 0.000 0.765 13 L CB -1.158 40.792 42.059 -0.181 0.000 1.519 13 L HN 0.367 nan 8.230 nan 0.000 0.842 14 L N 0.184 121.375 121.223 -0.053 0.000 2.129 14 L HA -0.240 4.113 4.340 0.022 0.000 0.212 14 L C 2.022 178.886 176.870 -0.009 0.000 1.087 14 L CA 2.413 57.248 54.840 -0.009 0.000 0.757 14 L CB -0.041 42.029 42.059 0.019 0.000 0.896 14 L HN 0.553 nan 8.230 nan 0.000 0.434 15 D N -0.588 119.782 120.400 -0.050 0.000 2.190 15 D HA -0.258 4.395 4.640 0.022 0.000 0.200 15 D C 2.018 178.289 176.300 -0.048 0.000 0.992 15 D CA 1.550 55.515 54.000 -0.057 0.000 0.854 15 D CB 0.019 40.755 40.800 -0.106 0.000 0.936 15 D HN 0.577 nan 8.370 nan 0.000 0.462 16 Q N -0.855 118.911 119.800 -0.056 0.000 2.425 16 Q HA 0.049 4.403 4.340 0.022 0.000 0.204 16 Q C 1.535 177.526 176.000 -0.014 0.000 0.933 16 Q CA 0.247 56.026 55.803 -0.040 0.000 0.939 16 Q CB 0.238 28.945 28.738 -0.051 0.000 1.044 16 Q HN 0.488 nan 8.270 nan 0.000 0.513 17 Q N 0.162 119.961 119.800 -0.001 0.000 2.360 17 Q HA 0.168 4.522 4.340 0.022 0.000 0.202 17 Q C 0.162 176.182 176.000 0.033 0.000 0.915 17 Q CA 0.075 55.890 55.803 0.019 0.000 0.943 17 Q CB 0.504 29.260 28.738 0.030 0.000 1.064 17 Q HN 0.291 nan 8.270 nan 0.000 0.511 18 L N 0.393 121.631 121.223 0.025 0.000 2.379 18 L HA 0.469 4.822 4.340 0.022 0.000 0.269 18 L C 0.149 177.026 176.870 0.013 0.000 1.084 18 L CA -0.955 53.901 54.840 0.027 0.000 0.802 18 L CB 0.793 42.864 42.059 0.020 0.000 1.175 18 L HN -0.006 nan 8.230 nan 0.000 0.448 19 A N 0.632 123.460 122.820 0.012 0.000 2.304 19 A HA 0.160 4.493 4.320 0.022 0.000 0.271 19 A C 0.676 178.257 177.584 -0.005 0.000 1.091 19 A CA -0.481 51.558 52.037 0.004 0.000 0.812 19 A CB 0.309 19.313 19.000 0.005 0.000 1.056 19 A HN 0.858 nan 8.150 nan 0.000 0.489 20 D N 0.734 121.129 120.400 -0.008 0.000 2.123 20 D HA -0.187 4.467 4.640 0.022 0.000 0.196 20 D C 1.414 177.705 176.300 -0.015 0.000 0.992 20 D CA 1.892 55.885 54.000 -0.012 0.000 0.833 20 D CB -0.142 40.651 40.800 -0.011 0.000 0.954 20 D HN 0.798 nan 8.370 nan 0.000 0.455 21 D N 1.298 121.689 120.400 -0.015 0.000 2.097 21 D HA -0.200 4.453 4.640 0.022 0.000 0.195 21 D C 1.641 177.927 176.300 -0.024 0.000 0.989 21 D CA 0.961 54.949 54.000 -0.020 0.000 0.827 21 D CB -0.690 40.097 40.800 -0.022 0.000 0.966 21 D HN 0.289 nan 8.370 nan 0.000 0.456 22 E N 0.555 120.741 120.200 -0.022 0.000 2.097 22 E HA -0.203 4.161 4.350 0.022 0.000 0.196 22 E C 2.419 178.999 176.600 -0.033 0.000 1.000 22 E CA 0.991 57.373 56.400 -0.031 0.000 0.804 22 E CB -0.149 29.538 29.700 -0.020 0.000 0.740 22 E HN 0.238 nan 8.360 nan 0.000 0.454 23 R N 0.413 120.898 120.500 -0.024 0.000 2.081 23 R HA -0.111 4.242 4.340 0.022 0.000 0.235 23 R C 2.296 178.581 176.300 -0.025 0.000 1.131 23 R CA 1.415 57.500 56.100 -0.026 0.000 0.960 23 R CB -0.041 30.245 30.300 -0.024 0.000 0.856 23 R HN 0.190 nan 8.270 nan 0.000 0.436 24 M N -0.398 119.190 119.600 -0.021 0.000 2.132 24 M HA -0.141 4.353 4.480 0.022 0.000 0.263 24 M C 2.195 178.487 176.300 -0.013 0.000 1.065 24 M CA 1.177 56.468 55.300 -0.015 0.000 1.122 24 M CB -0.009 32.582 32.600 -0.015 0.000 1.365 24 M HN 0.019 nan 8.290 nan 0.000 0.411 25 V N 0.439 120.340 119.914 -0.022 0.000 2.392 25 V HA -0.289 3.844 4.120 0.022 0.000 0.249 25 V C 2.452 178.537 176.094 -0.016 0.000 1.059 25 V CA 1.897 64.182 62.300 -0.025 0.000 1.051 25 V CB -0.864 30.936 31.823 -0.039 0.000 0.658 25 V HN 0.481 nan 8.190 nan 0.000 0.455 26 R N -0.022 120.465 120.500 -0.022 0.000 2.066 26 R HA -0.161 4.193 4.340 0.022 0.000 0.232 26 R C 2.054 178.375 176.300 0.035 0.000 1.131 26 R CA 1.940 58.034 56.100 -0.010 0.000 0.955 26 R CB -0.356 29.925 30.300 -0.032 0.000 0.851 26 R HN 0.481 nan 8.270 nan 0.000 0.432 27 D N 0.491 120.904 120.400 0.021 0.000 2.144 27 D HA -0.128 4.526 4.640 0.022 0.000 0.199 27 D C 1.714 178.072 176.300 0.096 0.000 0.984 27 D CA 1.465 55.495 54.000 0.051 0.000 0.834 27 D CB -0.217 40.591 40.800 0.013 0.000 0.955 27 D HN 0.386 nan 8.370 nan 0.000 0.465 28 A N 0.977 123.833 122.820 0.060 0.000 1.933 28 A HA -0.023 4.310 4.320 0.022 0.000 0.218 28 A C 2.300 179.941 177.584 0.095 0.000 1.175 28 A CA 2.043 54.117 52.037 0.061 0.000 0.628 28 A CB -0.541 18.473 19.000 0.023 0.000 0.814 28 A HN 0.239 nan 8.150 nan 0.000 0.444 29 A N -1.163 121.712 122.820 0.093 0.000 1.929 29 A HA -0.087 4.247 4.320 0.022 0.000 0.216 29 A C 1.974 179.653 177.584 0.158 0.000 1.176 29 A CA 1.888 53.999 52.037 0.122 0.000 0.628 29 A CB -0.798 18.250 19.000 0.080 0.000 0.816 29 A HN 0.737 nan 8.150 nan 0.000 0.444 30 H N 0.176 119.277 119.070 0.050 0.000 2.321 30 H HA -0.013 4.557 4.556 0.022 0.000 0.300 30 H C 2.205 177.551 175.328 0.030 0.000 1.087 30 H CA 2.131 58.200 56.048 0.035 0.000 1.319 30 H CB -0.246 29.527 29.762 0.019 0.000 1.379 30 H HN 0.382 nan 8.280 nan 0.000 0.501 31 A N -0.231 122.641 122.820 0.086 0.000 1.877 31 A HA -0.228 4.105 4.320 0.022 0.000 0.216 31 A C 2.392 179.968 177.584 -0.013 0.000 1.186 31 A CA 1.721 53.771 52.037 0.021 0.000 0.620 31 A CB -1.441 17.605 19.000 0.076 0.000 0.822 31 A HN 0.728 nan 8.150 nan 0.000 0.443 32 Y N 0.397 120.664 120.300 -0.056 0.000 2.145 32 Y HA -0.076 4.488 4.550 0.023 0.000 0.286 32 Y C 2.640 178.480 175.900 -0.099 0.000 1.145 32 Y CA 1.607 59.666 58.100 -0.069 0.000 1.148 32 Y CB -0.395 38.030 38.460 -0.058 0.000 0.981 32 Y HN 0.313 nan 8.280 nan 0.000 0.507 33 A N 0.245 122.901 122.820 -0.274 0.000 1.877 33 A HA -0.201 4.133 4.320 0.022 0.000 0.216 33 A C 2.054 179.434 177.584 -0.341 0.000 1.186 33 A CA 1.769 53.596 52.037 -0.351 0.000 0.620 33 A CB -0.640 18.301 19.000 -0.099 0.000 0.822 33 A HN 0.553 nan 8.150 nan 0.000 0.443 34 Q N -0.508 119.102 119.800 -0.316 0.000 2.119 34 Q HA -0.071 4.282 4.340 0.022 0.000 0.201 34 Q C 2.170 178.039 176.000 -0.218 0.000 0.972 34 Q CA 1.581 57.219 55.803 -0.275 0.000 0.847 34 Q CB -0.926 27.583 28.738 -0.382 0.000 0.903 34 Q HN 0.641 nan 8.270 nan 0.000 0.433 35 G N 0.801 109.464 108.800 -0.229 0.000 2.395 35 G HA2 -0.155 3.819 3.960 0.022 0.000 0.214 35 G HA3 -0.155 3.819 3.960 0.022 0.000 0.214 35 G C 1.570 176.342 174.900 -0.214 0.000 1.177 35 G CA 0.270 45.268 45.100 -0.170 0.000 0.794 35 G HN 0.135 nan 8.290 nan 0.000 0.532 36 K N -0.302 119.865 120.400 -0.389 0.000 2.308 36 K HA 0.343 4.676 4.320 0.022 0.000 0.197 36 K C 2.366 178.715 176.600 -0.418 0.000 1.049 36 K CA 0.095 56.137 56.287 -0.408 0.000 0.991 36 K CB 0.199 32.400 32.500 -0.499 0.000 0.836 36 K HN 0.298 nan 8.250 nan 0.000 0.500 37 L N 0.117 121.037 121.223 -0.505 0.000 2.200 37 L HA 0.124 4.477 4.340 0.022 0.000 0.200 37 L C 2.480 179.274 176.870 -0.126 0.000 1.072 37 L CA 0.674 55.275 54.840 -0.399 0.000 0.787 37 L CB -0.555 41.207 42.059 -0.496 0.000 0.957 37 L HN -0.039 nan 8.230 nan 0.000 0.459 38 A N 1.197 123.950 122.820 -0.111 0.000 1.903 38 A HA -0.167 4.166 4.320 0.022 0.000 0.219 38 A C -0.139 177.438 177.584 -0.011 0.000 1.191 38 A CA 2.056 54.073 52.037 -0.034 0.000 0.638 38 A CB -1.951 17.015 19.000 -0.056 0.000 0.823 38 A HN 0.303 nan 8.150 nan 0.000 0.451 39 P HA -0.049 nan 4.420 nan 0.000 0.226 39 P C 1.373 178.686 177.300 0.022 0.000 1.153 39 P CA 0.834 63.929 63.100 -0.010 0.000 0.777 39 P CB -0.017 31.666 31.700 -0.027 0.000 0.794 40 R N -0.917 119.604 120.500 0.035 0.000 2.140 40 R HA 0.039 4.392 4.340 0.022 0.000 0.213 40 R C 2.126 178.521 176.300 0.159 0.000 1.059 40 R CA 0.477 56.634 56.100 0.094 0.000 1.000 40 R CB -1.004 29.350 30.300 0.089 0.000 0.910 40 R HN 0.069 nan 8.270 nan 0.000 0.455 41 V N 0.972 120.990 119.914 0.174 0.000 2.407 41 V HA -0.227 3.907 4.120 0.022 0.000 0.248 41 V C 1.680 177.842 176.094 0.113 0.000 1.055 41 V CA 2.234 64.641 62.300 0.178 0.000 1.049 41 V CB -0.206 31.701 31.823 0.140 0.000 0.662 41 V HN 0.365 nan 8.190 nan 0.000 0.455 42 T N -0.057 114.544 114.554 0.079 0.000 2.674 42 T HA -0.149 4.214 4.350 0.022 0.000 0.265 42 T C 1.820 176.591 174.700 0.118 0.000 1.039 42 T CA 1.694 63.837 62.100 0.071 0.000 1.150 42 T CB -0.275 68.620 68.868 0.044 0.000 0.864 42 T HN 0.502 nan 8.240 nan 0.000 0.427 43 E N 1.158 121.438 120.200 0.133 0.000 2.107 43 E HA 0.071 4.434 4.350 0.022 0.000 0.191 43 E C 2.596 179.317 176.600 0.202 0.000 0.982 43 E CA 0.943 57.456 56.400 0.188 0.000 0.809 43 E CB -0.576 29.258 29.700 0.222 0.000 0.756 43 E HN 0.486 nan 8.360 nan 0.000 0.459 44 A N 0.957 123.889 122.820 0.187 0.000 1.883 44 A HA -0.205 4.129 4.320 0.022 0.000 0.217 44 A C 2.117 179.783 177.584 0.137 0.000 1.186 44 A CA 1.502 53.647 52.037 0.180 0.000 0.624 44 A CB -0.878 18.253 19.000 0.219 0.000 0.822 44 A HN 0.292 nan 8.150 nan 0.000 0.444 45 F N 0.303 120.245 119.950 -0.012 0.000 2.113 45 F HA -0.095 4.445 4.527 0.022 0.000 0.297 45 F C 2.415 178.176 175.800 -0.065 0.000 1.103 45 F CA 1.899 59.864 58.000 -0.058 0.000 1.248 45 F CB -0.193 38.747 39.000 -0.101 0.000 0.999 45 F HN 0.221 nan 8.300 nan 0.000 0.475 46 R N -0.790 119.751 120.500 0.069 0.000 2.096 46 R HA -0.172 4.181 4.340 0.022 0.000 0.235 46 R C 1.471 177.553 176.300 -0.363 0.000 1.127 46 R CA 1.927 57.928 56.100 -0.164 0.000 0.968 46 R CB -0.546 29.615 30.300 -0.231 0.000 0.861 46 R HN 0.377 nan 8.270 nan 0.000 0.440 47 H N -0.316 118.754 119.070 -0.000 0.000 2.549 47 H HA 0.094 4.664 4.556 0.022 0.000 0.279 47 H C -0.251 175.070 175.328 -0.011 0.000 1.018 47 H CA 0.357 56.402 56.048 -0.004 0.000 1.175 47 H CB 0.365 30.139 29.762 0.020 0.000 1.485 47 H HN 0.373 nan 8.280 nan 0.000 0.543 48 E N 1.942 122.147 120.200 0.008 0.000 2.252 48 E HA -0.159 4.204 4.350 0.022 0.000 0.218 48 E C -0.619 176.040 176.600 0.098 0.000 1.253 48 E CA 0.560 56.962 56.400 0.004 0.000 0.705 48 E CB -0.803 28.907 29.700 0.016 0.000 1.172 48 E HN 0.480 nan 8.360 nan 0.000 0.369 49 T N -0.881 113.742 114.554 0.115 0.000 2.797 49 T HA 0.570 4.933 4.350 0.022 0.000 0.279 49 T C -0.128 174.665 174.700 0.156 0.000 0.991 49 T CA -0.350 61.834 62.100 0.139 0.000 0.979 49 T CB 1.992 70.944 68.868 0.140 0.000 0.943 49 T HN 0.039 nan 8.240 nan 0.000 0.444 50 T N 3.550 118.204 114.554 0.166 0.000 2.786 50 T HA 0.322 4.685 4.350 0.022 0.000 0.283 50 T C -0.726 174.090 174.700 0.195 0.000 0.992 50 T CA -0.575 61.650 62.100 0.208 0.000 0.954 50 T CB 1.176 70.178 68.868 0.223 0.000 0.934 50 T HN 0.755 nan 8.240 nan 0.000 0.440 51 D N 3.003 123.520 120.400 0.196 0.000 2.435 51 D HA 0.303 4.956 4.640 0.022 0.000 0.230 51 D C 1.344 177.765 176.300 0.201 0.000 1.215 51 D CA -0.610 53.487 54.000 0.162 0.000 0.947 51 D CB 0.629 41.504 40.800 0.124 0.000 1.048 51 D HN 0.576 nan 8.370 nan 0.000 0.512 52 A N 3.856 126.807 122.820 0.218 0.000 2.093 52 A HA -0.183 4.151 4.320 0.022 0.000 0.222 52 A C 2.118 179.878 177.584 0.294 0.000 1.162 52 A CA 1.847 54.055 52.037 0.286 0.000 0.655 52 A CB -0.398 18.705 19.000 0.171 0.000 0.805 52 A HN 0.629 nan 8.150 nan 0.000 0.461 53 A N -0.175 122.760 122.820 0.191 0.000 2.070 53 A HA -0.032 4.302 4.320 0.022 0.000 0.220 53 A C 1.940 179.614 177.584 0.150 0.000 1.159 53 A CA 1.260 53.389 52.037 0.154 0.000 0.656 53 A CB -0.614 18.449 19.000 0.105 0.000 0.800 53 A HN 0.548 nan 8.150 nan 0.000 0.453 54 I N -1.506 119.145 120.570 0.134 0.000 2.194 54 I HA -0.327 3.857 4.170 0.022 0.000 0.246 54 I C 2.154 178.264 176.117 -0.012 0.000 1.093 54 I CA 1.623 62.943 61.300 0.033 0.000 1.355 54 I CB -0.507 37.437 38.000 -0.094 0.000 1.046 54 I HN 0.350 nan 8.210 nan 0.000 0.413 55 F N 0.649 120.631 119.950 0.054 0.000 2.154 55 F HA -0.228 4.312 4.527 0.022 0.000 0.301 55 F C 2.711 178.515 175.800 0.007 0.000 1.087 55 F CA 1.480 59.502 58.000 0.038 0.000 1.274 55 F CB -0.465 38.571 39.000 0.061 0.000 1.009 55 F HN -0.084 nan 8.300 nan 0.000 0.485 56 R N 0.245 120.854 120.500 0.182 0.000 2.062 56 R HA -0.116 4.237 4.340 0.022 0.000 0.229 56 R C 2.106 178.406 176.300 -0.001 0.000 1.128 56 R CA 1.474 57.625 56.100 0.084 0.000 0.960 56 R CB -0.448 29.899 30.300 0.078 0.000 0.855 56 R HN 0.375 nan 8.270 nan 0.000 0.432 57 E N 0.559 120.750 120.200 -0.015 0.000 2.070 57 E HA -0.256 4.108 4.350 0.022 0.000 0.197 57 E C 2.072 178.469 176.600 -0.338 0.000 1.004 57 E CA 1.585 57.920 56.400 -0.109 0.000 0.805 57 E CB -0.170 29.544 29.700 0.024 0.000 0.744 57 E HN 0.328 nan 8.360 nan 0.000 0.451 58 M N 0.419 119.823 119.600 -0.327 0.000 2.117 58 M HA -0.095 4.398 4.480 0.022 0.000 0.262 58 M C 2.536 178.714 176.300 -0.204 0.000 1.065 58 M CA 1.571 56.651 55.300 -0.365 0.000 1.114 58 M CB -0.679 31.771 32.600 -0.250 0.000 1.361 58 M HN 0.237 nan 8.290 nan 0.000 0.408 59 G N 0.360 109.105 108.800 -0.091 0.000 2.511 59 G HA2 -0.239 3.734 3.960 0.022 0.000 0.216 59 G HA3 -0.239 3.734 3.960 0.022 0.000 0.216 59 G C 1.218 176.074 174.900 -0.074 0.000 1.218 59 G CA 0.974 46.046 45.100 -0.046 0.000 0.788 59 G HN 0.489 nan 8.290 nan 0.000 0.560 60 E N 0.293 120.446 120.200 -0.078 0.000 2.200 60 E HA -0.244 4.119 4.350 0.022 0.000 0.211 60 E C 2.245 178.790 176.600 -0.091 0.000 1.048 60 E CA 1.595 57.948 56.400 -0.078 0.000 0.851 60 E CB -0.327 29.325 29.700 -0.079 0.000 0.747 60 E HN 0.784 nan 8.360 nan 0.000 0.462 61 I N -3.893 116.596 120.570 -0.135 0.000 3.904 61 I HA 0.372 4.556 4.170 0.022 0.000 0.333 61 I C 0.902 176.954 176.117 -0.108 0.000 1.361 61 I CA 0.219 61.444 61.300 -0.125 0.000 1.116 61 I CB 0.400 38.301 38.000 -0.165 0.000 1.028 61 I HN 0.060 nan 8.210 nan 0.000 0.398 62 G N 2.423 111.163 108.800 -0.099 0.000 2.225 62 G HA2 -0.232 3.742 3.960 0.022 0.000 0.264 62 G HA3 -0.232 3.742 3.960 0.022 0.000 0.264 62 G C 0.313 175.160 174.900 -0.087 0.000 1.060 62 G CA 0.372 45.421 45.100 -0.085 0.000 0.833 62 G HN 0.494 nan 8.290 nan 0.000 0.498 63 L N -0.954 120.210 121.223 -0.099 0.000 2.640 63 L HA 0.387 4.740 4.340 0.022 0.000 0.230 63 L C 1.012 177.851 176.870 -0.052 0.000 1.123 63 L CA 0.082 54.876 54.840 -0.076 0.000 0.900 63 L CB 0.111 42.110 42.059 -0.101 0.000 1.146 63 L HN 0.200 nan 8.230 nan 0.000 0.484 64 L N 0.582 121.773 121.223 -0.053 0.000 2.287 64 L HA 0.485 4.838 4.340 0.022 0.000 0.287 64 L C 0.833 177.661 176.870 -0.070 0.000 1.022 64 L CA -0.485 54.341 54.840 -0.023 0.000 0.814 64 L CB 1.441 43.522 42.059 0.037 0.000 1.217 64 L HN 0.208 nan 8.230 nan 0.000 0.420 65 G N 4.217 112.945 108.800 -0.121 0.000 2.371 65 G HA2 -0.189 3.784 3.960 0.022 0.000 0.299 65 G HA3 -0.189 3.784 3.960 0.022 0.000 0.299 65 G C -1.632 173.111 174.900 -0.262 0.000 1.014 65 G CA -0.495 44.477 45.100 -0.213 0.000 1.097 65 G HN 0.575 nan 8.290 nan 0.000 0.512 66 P HA -0.168 nan 4.420 nan 0.000 0.218 66 P C 1.972 179.098 177.300 -0.290 0.000 1.150 66 P CA 2.278 65.231 63.100 -0.245 0.000 0.841 66 P CB -0.028 31.556 31.700 -0.192 0.000 0.784 67 T N -5.198 109.110 114.554 -0.411 0.000 3.122 67 T HA 0.155 4.519 4.350 0.022 0.000 0.250 67 T C 0.721 175.157 174.700 -0.439 0.000 1.067 67 T CA -0.221 61.613 62.100 -0.444 0.000 0.966 67 T CB -0.412 68.085 68.868 -0.619 0.000 1.002 67 T HN -0.181 nan 8.240 nan 0.000 0.542 68 I N 3.307 123.643 120.570 -0.391 0.000 2.441 68 I HA 0.365 4.548 4.170 0.022 0.000 0.287 68 I C -2.345 173.599 176.117 -0.289 0.000 1.049 68 I CA -3.264 57.776 61.300 -0.432 0.000 1.381 68 I CB 0.545 38.364 38.000 -0.302 0.000 1.409 68 I HN -0.013 nan 8.210 nan 0.000 0.523 69 P HA 0.075 nan 4.420 nan 0.000 0.268 69 P C 0.351 177.619 177.300 -0.053 0.000 1.208 69 P CA -0.052 62.981 63.100 -0.111 0.000 0.777 69 P CB 0.624 32.327 31.700 0.004 0.000 0.875 70 E N 0.528 120.687 120.200 -0.068 0.000 2.333 70 E HA -0.231 4.133 4.350 0.022 0.000 0.198 70 E C 1.812 178.353 176.600 -0.098 0.000 1.007 70 E CA 0.859 57.217 56.400 -0.070 0.000 0.845 70 E CB -0.408 29.251 29.700 -0.069 0.000 0.766 70 E HN 0.547 nan 8.360 nan 0.000 0.507 71 Q N -0.299 119.409 119.800 -0.152 0.000 2.135 71 Q HA -0.197 4.157 4.340 0.022 0.000 0.204 71 Q C 0.598 176.333 176.000 -0.443 0.000 0.981 71 Q CA 1.388 56.984 55.803 -0.345 0.000 0.856 71 Q CB 0.022 28.450 28.738 -0.516 0.000 0.902 71 Q HN 0.418 nan 8.270 nan 0.000 0.425 72 Y N -1.642 118.669 120.300 0.018 0.000 2.584 72 Y HA 0.385 4.948 4.550 0.021 0.000 0.254 72 Y C 1.121 177.017 175.900 -0.007 0.000 1.177 72 Y CA 0.165 58.281 58.100 0.028 0.000 1.216 72 Y CB 1.258 39.771 38.460 0.088 0.000 1.172 72 Y HN 0.276 nan 8.280 nan 0.000 0.529 73 G N -0.657 108.177 108.800 0.057 0.000 2.213 73 G HA2 -0.219 3.755 3.960 0.022 0.000 0.226 73 G HA3 -0.219 3.755 3.960 0.022 0.000 0.226 73 G C 0.790 175.683 174.900 -0.012 0.000 0.992 73 G CA -0.257 44.851 45.100 0.013 0.000 0.632 73 G HN 0.712 nan 8.290 nan 0.000 0.511 74 G N 0.363 109.151 108.800 -0.019 0.000 2.606 74 G HA2 0.553 4.527 3.960 0.022 0.000 0.252 74 G HA3 0.553 4.527 3.960 0.022 0.000 0.252 74 G C -0.605 174.245 174.900 -0.083 0.000 1.206 74 G CA -0.185 44.873 45.100 -0.071 0.000 0.861 74 G HN 0.144 nan 8.290 nan 0.000 0.561 75 P HA 0.093 nan 4.420 nan 0.000 0.249 75 P C 1.020 178.259 177.300 -0.101 0.000 1.229 75 P CA 0.751 63.797 63.100 -0.090 0.000 0.788 75 P CB 0.427 32.075 31.700 -0.087 0.000 1.072 76 G N 0.443 109.165 108.800 -0.130 0.000 2.295 76 G HA2 -0.244 3.729 3.960 0.022 0.000 0.287 76 G HA3 -0.244 3.729 3.960 0.022 0.000 0.287 76 G C -0.176 174.640 174.900 -0.140 0.000 1.055 76 G CA -0.051 44.964 45.100 -0.142 0.000 0.922 76 G HN 0.291 nan 8.290 nan 0.000 0.503 77 L N -0.228 120.899 121.223 -0.161 0.000 2.400 77 L HA 0.618 4.972 4.340 0.022 0.000 0.264 77 L C 0.821 177.583 176.870 -0.180 0.000 1.061 77 L CA -1.063 53.695 54.840 -0.137 0.000 0.799 77 L CB 0.601 42.596 42.059 -0.107 0.000 1.240 77 L HN 0.380 nan 8.230 nan 0.000 0.461 78 D N -1.454 118.870 120.400 -0.125 0.000 2.387 78 D HA 0.013 4.666 4.640 0.022 0.000 0.251 78 D C 0.631 176.876 176.300 -0.093 0.000 1.141 78 D CA -0.161 53.762 54.000 -0.128 0.000 0.987 78 D CB 0.533 41.314 40.800 -0.032 0.000 1.116 78 D HN 0.365 nan 8.370 nan 0.000 0.491 79 Y N 0.034 120.337 120.300 0.005 0.000 2.274 79 Y HA -0.143 4.419 4.550 0.021 0.000 0.290 79 Y C 2.390 178.375 175.900 0.143 0.000 1.145 79 Y CA 0.915 59.038 58.100 0.038 0.000 1.203 79 Y CB -0.424 37.917 38.460 -0.199 0.000 0.984 79 Y HN 0.213 nan 8.280 nan 0.000 0.533 80 V N -1.360 118.687 119.914 0.221 0.000 2.343 80 V HA -0.279 3.854 4.120 0.022 0.000 0.247 80 V C 2.247 178.250 176.094 -0.151 0.000 1.051 80 V CA 2.098 64.461 62.300 0.105 0.000 1.036 80 V CB -0.791 31.105 31.823 0.122 0.000 0.654 80 V HN 0.327 nan 8.190 nan 0.000 0.451 81 S N -1.417 114.244 115.700 -0.066 0.000 2.368 81 S HA -0.219 4.265 4.470 0.022 0.000 0.224 81 S C 1.794 176.348 174.600 -0.076 0.000 1.029 81 S CA 1.729 59.868 58.200 -0.100 0.000 0.988 81 S CB -0.491 62.676 63.200 -0.054 0.000 0.838 81 S HN 0.723 nan 8.310 nan 0.000 0.462 82 Y N 2.118 122.341 120.300 -0.128 0.000 2.081 82 Y HA -0.246 4.318 4.550 0.023 0.000 0.280 82 Y C 2.502 178.275 175.900 -0.212 0.000 1.163 82 Y CA 1.203 59.256 58.100 -0.079 0.000 1.135 82 Y CB -0.757 37.745 38.460 0.070 0.000 0.970 82 Y HN 0.324 nan 8.280 nan 0.000 0.498 83 G N 0.669 109.118 108.800 -0.585 0.000 2.459 83 G HA2 -0.286 3.688 3.960 0.022 0.000 0.217 83 G HA3 -0.286 3.688 3.960 0.022 0.000 0.217 83 G C 1.586 175.714 174.900 -1.287 0.000 1.183 83 G CA 1.268 45.466 45.100 -1.502 0.000 0.776 83 G HN 0.450 nan 8.290 nan 0.000 0.552 84 L N 0.140 120.621 121.223 -1.237 0.000 2.021 84 L HA -0.169 4.184 4.340 0.022 0.000 0.215 84 L C 2.909 179.627 176.870 -0.253 0.000 1.074 84 L CA 1.064 55.528 54.840 -0.626 0.000 0.760 84 L CB -0.413 41.395 42.059 -0.419 0.000 0.889 84 L HN 0.231 nan 8.230 nan 0.000 0.433 85 I N -0.414 120.046 120.570 -0.184 0.000 2.163 85 I HA -0.318 3.866 4.170 0.022 0.000 0.243 85 I C 2.777 178.885 176.117 -0.016 0.000 1.085 85 I CA 1.315 62.591 61.300 -0.040 0.000 1.347 85 I CB -0.484 37.537 38.000 0.035 0.000 1.044 85 I HN 0.231 nan 8.210 nan 0.000 0.408 86 A N 0.594 123.366 122.820 -0.081 0.000 1.933 86 A HA -0.246 4.087 4.320 0.022 0.000 0.218 86 A C 2.422 180.020 177.584 0.023 0.000 1.175 86 A CA 1.776 53.789 52.037 -0.040 0.000 0.628 86 A CB -0.653 18.252 19.000 -0.160 0.000 0.814 86 A HN 0.372 nan 8.150 nan 0.000 0.444 87 R N -0.466 120.058 120.500 0.039 0.000 2.081 87 R HA -0.155 4.198 4.340 0.022 0.000 0.235 87 R C 1.816 178.180 176.300 0.106 0.000 1.131 87 R CA 1.696 57.871 56.100 0.125 0.000 0.960 87 R CB -0.163 30.283 30.300 0.243 0.000 0.856 87 R HN 0.427 nan 8.270 nan 0.000 0.436 88 E N 0.008 120.263 120.200 0.093 0.000 2.107 88 E HA -0.105 4.258 4.350 0.022 0.000 0.191 88 E C 2.071 178.739 176.600 0.112 0.000 0.982 88 E CA 1.063 57.537 56.400 0.124 0.000 0.809 88 E CB -0.119 29.661 29.700 0.133 0.000 0.756 88 E HN 0.225 nan 8.360 nan 0.000 0.459 89 V N 1.038 121.016 119.914 0.108 0.000 2.358 89 V HA -0.200 3.933 4.120 0.022 0.000 0.246 89 V C 2.366 178.549 176.094 0.148 0.000 1.047 89 V CA 1.875 64.252 62.300 0.128 0.000 1.035 89 V CB -0.398 31.506 31.823 0.135 0.000 0.658 89 V HN 0.225 nan 8.190 nan 0.000 0.452 90 E N 0.129 120.404 120.200 0.124 0.000 2.274 90 E HA -0.194 4.169 4.350 0.022 0.000 0.194 90 E C 2.331 179.012 176.600 0.135 0.000 0.996 90 E CA 0.489 56.962 56.400 0.123 0.000 0.840 90 E CB -0.093 29.658 29.700 0.085 0.000 0.772 90 E HN 0.433 nan 8.360 nan 0.000 0.491 91 R N -0.206 120.365 120.500 0.117 0.000 2.117 91 R HA -0.177 4.177 4.340 0.022 0.000 0.243 91 R C 1.820 178.234 176.300 0.190 0.000 1.143 91 R CA 1.698 57.864 56.100 0.110 0.000 0.968 91 R CB -0.041 30.332 30.300 0.121 0.000 0.863 91 R HN 0.125 nan 8.270 nan 0.000 0.444 92 V N -0.668 119.356 119.914 0.184 0.000 2.283 92 V HA -0.012 4.121 4.120 0.022 0.000 0.239 92 V C 0.339 176.533 176.094 0.166 0.000 1.035 92 V CA 1.534 63.941 62.300 0.178 0.000 1.018 92 V CB -0.193 31.715 31.823 0.142 0.000 0.658 92 V HN 0.372 nan 8.190 nan 0.000 0.459 93 D N -2.791 117.705 120.400 0.161 0.000 2.886 93 D HA 0.312 4.965 4.640 0.022 0.000 0.216 93 D C 0.478 176.800 176.300 0.036 0.000 1.256 93 D CA -0.050 53.943 54.000 -0.011 0.000 0.844 93 D CB 1.992 42.632 40.800 -0.266 0.000 1.669 93 D HN -0.079 nan 8.370 nan 0.000 0.513 94 S N 1.086 116.802 115.700 0.027 0.000 2.423 94 S HA -0.002 4.482 4.470 0.022 0.000 0.231 94 S C 1.958 176.572 174.600 0.022 0.000 1.014 94 S CA 0.954 59.180 58.200 0.044 0.000 0.965 94 S CB -0.052 63.172 63.200 0.040 0.000 0.785 94 S HN 0.644 nan 8.310 nan 0.000 0.495 95 G N 0.056 108.821 108.800 -0.057 0.000 2.422 95 G HA2 -0.176 3.798 3.960 0.022 0.000 0.218 95 G HA3 -0.176 3.798 3.960 0.022 0.000 0.218 95 G C 1.081 175.978 174.900 -0.005 0.000 1.146 95 G CA 0.474 45.534 45.100 -0.067 0.000 0.769 95 G HN 0.579 nan 8.290 nan 0.000 0.547 96 Y N -0.284 120.051 120.300 0.059 0.000 2.243 96 Y HA 0.051 4.614 4.550 0.022 0.000 0.293 96 Y C 3.028 178.941 175.900 0.023 0.000 1.124 96 Y CA 0.585 58.700 58.100 0.024 0.000 1.159 96 Y CB -0.014 38.458 38.460 0.019 0.000 1.008 96 Y HN -0.005 nan 8.280 nan 0.000 0.527 97 R N 0.689 121.308 120.500 0.198 0.000 2.091 97 R HA -0.173 4.180 4.340 0.022 0.000 0.238 97 R C 2.406 178.782 176.300 0.127 0.000 1.136 97 R CA 1.577 57.760 56.100 0.138 0.000 0.959 97 R CB -0.727 29.637 30.300 0.108 0.000 0.856 97 R HN 0.263 nan 8.270 nan 0.000 0.437 98 S N 0.484 116.258 115.700 0.124 0.000 2.359 98 S HA -0.199 4.285 4.470 0.022 0.000 0.222 98 S C 2.185 176.882 174.600 0.161 0.000 1.038 98 S CA 1.964 60.245 58.200 0.135 0.000 1.051 98 S CB -0.178 63.101 63.200 0.132 0.000 0.944 98 S HN 0.376 nan 8.310 nan 0.000 0.433 99 M N 0.599 120.300 119.600 0.169 0.000 2.103 99 M HA -0.220 4.273 4.480 0.022 0.000 0.255 99 M C 2.475 178.874 176.300 0.165 0.000 1.074 99 M CA 2.401 57.817 55.300 0.194 0.000 1.090 99 M CB -0.463 32.134 32.600 -0.005 0.000 1.325 99 M HN 0.482 nan 8.290 nan 0.000 0.403 100 M N 0.145 119.789 119.600 0.074 0.000 2.132 100 M HA -0.147 4.347 4.480 0.022 0.000 0.263 100 M C 2.278 178.672 176.300 0.157 0.000 1.065 100 M CA 2.390 57.741 55.300 0.085 0.000 1.122 100 M CB -0.380 32.258 32.600 0.063 0.000 1.365 100 M HN 0.383 nan 8.290 nan 0.000 0.411 101 S N -0.337 115.469 115.700 0.176 0.000 2.423 101 S HA -0.056 4.427 4.470 0.022 0.000 0.231 101 S C 1.804 176.494 174.600 0.150 0.000 1.014 101 S CA 1.098 59.423 58.200 0.210 0.000 0.965 101 S CB -1.096 62.215 63.200 0.185 0.000 0.785 101 S HN 0.376 nan 8.310 nan 0.000 0.495 102 V N 1.971 121.971 119.914 0.145 0.000 2.270 102 V HA -0.184 3.949 4.120 0.022 0.000 0.245 102 V C 2.960 179.134 176.094 0.133 0.000 1.043 102 V CA 2.221 64.595 62.300 0.122 0.000 1.014 102 V CB -1.042 30.883 31.823 0.171 0.000 0.645 102 V HN 0.497 nan 8.190 nan 0.000 0.447 103 Q N 0.274 120.187 119.800 0.188 0.000 2.061 103 Q HA -0.183 4.171 4.340 0.022 0.000 0.204 103 Q C 2.285 178.343 176.000 0.096 0.000 0.984 103 Q CA 2.561 58.469 55.803 0.175 0.000 0.846 103 Q CB -0.277 28.625 28.738 0.273 0.000 0.902 103 Q HN 0.673 nan 8.270 nan 0.000 0.421 104 S N -0.664 115.071 115.700 0.059 0.000 2.325 104 S HA -0.061 4.423 4.470 0.022 0.000 0.213 104 S C 2.062 176.641 174.600 -0.035 0.000 1.031 104 S CA 1.227 59.397 58.200 -0.050 0.000 0.984 104 S CB -0.481 62.617 63.200 -0.169 0.000 0.939 104 S HN 0.354 nan 8.310 nan 0.000 0.438 105 S N 1.163 116.877 115.700 0.024 0.000 2.446 105 S HA 0.245 4.729 4.470 0.022 0.000 0.225 105 S C 1.535 176.141 174.600 0.010 0.000 1.016 105 S CA 0.548 58.773 58.200 0.040 0.000 0.943 105 S CB -0.136 63.137 63.200 0.122 0.000 0.786 105 S HN 0.279 nan 8.310 nan 0.000 0.508 106 L N 0.259 121.470 121.223 -0.019 0.000 2.616 106 L HA 0.259 4.613 4.340 0.022 0.000 0.229 106 L C 1.125 178.148 176.870 0.256 0.000 1.110 106 L CA 0.041 54.826 54.840 -0.092 0.000 0.884 106 L CB 0.299 42.048 42.059 -0.516 0.000 1.115 106 L HN 0.148 nan 8.230 nan 0.000 0.481 107 V N -1.748 118.273 119.914 0.178 0.000 3.161 107 V HA 0.060 4.193 4.120 0.022 0.000 0.221 107 V C 1.961 178.130 176.094 0.124 0.000 1.296 107 V CA 0.348 62.750 62.300 0.170 0.000 1.306 107 V CB 0.158 32.050 31.823 0.115 0.000 1.171 107 V HN 0.128 nan 8.190 nan 0.000 0.513 108 M N 0.177 119.829 119.600 0.088 0.000 2.077 108 M HA -0.131 4.362 4.480 0.022 0.000 0.261 108 M C 2.261 178.602 176.300 0.068 0.000 1.070 108 M CA 1.723 57.061 55.300 0.063 0.000 1.125 108 M CB -0.469 32.139 32.600 0.014 0.000 1.339 108 M HN 0.231 nan 8.290 nan 0.000 0.409 109 V N 1.310 121.250 119.914 0.043 0.000 2.250 109 V HA -0.233 3.901 4.120 0.022 0.000 0.250 109 V C -0.515 175.616 176.094 0.061 0.000 1.060 109 V CA 2.462 64.789 62.300 0.046 0.000 1.030 109 V CB -2.061 29.780 31.823 0.030 0.000 0.643 109 V HN 0.324 nan 8.190 nan 0.000 0.445 110 P HA -0.111 nan 4.420 nan 0.000 0.219 110 P C 1.829 179.232 177.300 0.171 0.000 1.150 110 P CA 1.575 64.833 63.100 0.263 0.000 0.814 110 P CB -0.022 32.042 31.700 0.607 0.000 0.787 111 I N -1.505 119.138 120.570 0.122 0.000 2.252 111 I HA -0.221 3.962 4.170 0.022 0.000 0.245 111 I C 2.515 178.649 176.117 0.028 0.000 1.102 111 I CA 1.290 62.630 61.300 0.067 0.000 1.385 111 I CB -0.653 37.380 38.000 0.054 0.000 1.064 111 I HN -0.168 nan 8.210 nan 0.000 0.414 112 F N 1.942 121.819 119.950 -0.122 0.000 2.102 112 F HA -0.244 4.301 4.527 0.030 0.000 0.298 112 F C 2.426 178.123 175.800 -0.173 0.000 1.105 112 F CA 1.933 59.824 58.000 -0.182 0.000 1.239 112 F CB -0.098 38.805 39.000 -0.161 0.000 0.991 112 F HN -0.069 nan 8.300 nan 0.000 0.474 113 E N -0.888 119.167 120.200 -0.241 0.000 2.158 113 E HA -0.049 4.314 4.350 0.022 0.000 0.191 113 E C 1.434 177.752 176.600 -0.471 0.000 0.982 113 E CA 1.339 57.431 56.400 -0.513 0.000 0.823 113 E CB -0.171 29.078 29.700 -0.752 0.000 0.766 113 E HN 0.436 nan 8.360 nan 0.000 0.468 114 F N -1.627 118.357 119.950 0.058 0.000 2.752 114 F HA 0.408 4.945 4.527 0.017 0.000 0.310 114 F C 1.246 177.091 175.800 0.075 0.000 1.097 114 F CA 0.108 58.169 58.000 0.101 0.000 1.238 114 F CB -0.335 38.746 39.000 0.136 0.000 1.061 114 F HN -0.100 nan 8.300 nan 0.000 0.591 115 G N 0.490 109.377 108.800 0.145 0.000 2.599 115 G HA2 0.387 4.360 3.960 0.022 0.000 0.264 115 G HA3 0.387 4.360 3.960 0.022 0.000 0.264 115 G C 0.062 175.004 174.900 0.070 0.000 1.200 115 G CA -0.173 44.963 45.100 0.060 0.000 0.896 115 G HN 0.202 nan 8.290 nan 0.000 0.536 116 S N -0.319 115.394 115.700 0.022 0.000 2.614 116 S HA 0.131 4.614 4.470 0.022 0.000 0.265 116 S C 0.801 175.432 174.600 0.051 0.000 1.303 116 S CA -0.213 58.018 58.200 0.051 0.000 1.000 116 S CB 1.323 64.534 63.200 0.018 0.000 0.935 116 S HN 0.528 nan 8.310 nan 0.000 0.551 117 D N 1.566 122.010 120.400 0.072 0.000 2.149 117 D HA -0.164 4.490 4.640 0.022 0.000 0.194 117 D C 2.199 178.553 176.300 0.091 0.000 1.001 117 D CA 1.946 55.998 54.000 0.086 0.000 0.849 117 D CB -0.795 40.065 40.800 0.099 0.000 0.939 117 D HN 0.726 nan 8.370 nan 0.000 0.449 118 A N 0.816 123.682 122.820 0.076 0.000 1.877 118 A HA -0.247 4.086 4.320 0.022 0.000 0.216 118 A C 2.198 179.831 177.584 0.081 0.000 1.186 118 A CA 1.692 53.772 52.037 0.071 0.000 0.620 118 A CB -0.700 18.335 19.000 0.058 0.000 0.822 118 A HN 0.227 nan 8.150 nan 0.000 0.443 119 Q N -0.355 119.511 119.800 0.111 0.000 2.050 119 Q HA -0.172 4.182 4.340 0.022 0.000 0.202 119 Q C 2.155 178.278 176.000 0.205 0.000 0.980 119 Q CA 1.775 57.715 55.803 0.228 0.000 0.840 119 Q CB -0.194 28.666 28.738 0.203 0.000 0.898 119 Q HN 0.623 nan 8.270 nan 0.000 0.424 120 K N 0.668 121.092 120.400 0.040 0.000 2.020 120 K HA -0.251 4.082 4.320 0.022 0.000 0.212 120 K C 2.089 178.666 176.600 -0.039 0.000 1.050 120 K CA 1.909 58.096 56.287 -0.167 0.000 0.929 120 K CB -0.136 32.054 32.500 -0.517 0.000 0.714 120 K HN 0.378 nan 8.250 nan 0.000 0.443 121 E N 0.992 121.278 120.200 0.143 0.000 2.152 121 E HA -0.172 4.192 4.350 0.022 0.000 0.192 121 E C 1.948 178.599 176.600 0.086 0.000 0.983 121 E CA 1.067 57.611 56.400 0.241 0.000 0.818 121 E CB -0.044 29.792 29.700 0.227 0.000 0.758 121 E HN 0.125 nan 8.360 nan 0.000 0.467 122 K N -0.530 119.868 120.400 -0.003 0.000 2.097 122 K HA -0.153 4.181 4.320 0.022 0.000 0.206 122 K C 1.137 177.608 176.600 -0.215 0.000 1.049 122 K CA 1.476 57.651 56.287 -0.187 0.000 0.933 122 K CB -0.029 32.245 32.500 -0.377 0.000 0.717 122 K HN 0.227 nan 8.250 nan 0.000 0.442 123 Y N -0.221 120.192 120.300 0.188 0.000 2.539 123 Y HA 0.116 4.678 4.550 0.020 0.000 0.284 123 Y C 1.852 177.867 175.900 0.191 0.000 1.134 123 Y CA 0.086 58.351 58.100 0.275 0.000 1.251 123 Y CB -0.016 38.572 38.460 0.215 0.000 1.260 123 Y HN -0.115 nan 8.280 nan 0.000 0.528 124 L N 0.285 121.663 121.223 0.257 0.000 2.017 124 L HA -0.143 4.210 4.340 0.022 0.000 0.208 124 L C -0.579 176.376 176.870 0.143 0.000 1.073 124 L CA 1.370 56.319 54.840 0.182 0.000 0.745 124 L CB -1.671 40.460 42.059 0.120 0.000 0.894 124 L HN 0.143 nan 8.230 nan 0.000 0.432 125 P HA -0.192 nan 4.420 nan 0.000 0.216 125 P C 1.302 178.584 177.300 -0.030 0.000 1.150 125 P CA 1.500 64.622 63.100 0.036 0.000 0.843 125 P CB 0.039 31.739 31.700 0.000 0.000 0.787 126 K N -1.129 119.218 120.400 -0.088 0.000 2.296 126 K HA 0.056 4.389 4.320 0.022 0.000 0.200 126 K C 1.865 178.492 176.600 0.044 0.000 1.048 126 K CA 0.639 56.814 56.287 -0.187 0.000 0.966 126 K CB -0.341 31.730 32.500 -0.715 0.000 0.754 126 K HN 0.140 nan 8.250 nan 0.000 0.466 127 L N -0.166 121.149 121.223 0.153 0.000 2.209 127 L HA -0.014 4.339 4.340 0.022 0.000 0.207 127 L C 2.379 179.316 176.870 0.112 0.000 1.094 127 L CA 0.608 55.556 54.840 0.180 0.000 0.790 127 L CB -0.309 41.869 42.059 0.198 0.000 0.932 127 L HN 0.123 nan 8.230 nan 0.000 0.447 128 A N 0.271 123.133 122.820 0.069 0.000 1.898 128 A HA -0.192 4.141 4.320 0.022 0.000 0.216 128 A C 2.408 180.002 177.584 0.017 0.000 1.181 128 A CA 2.145 54.200 52.037 0.030 0.000 0.620 128 A CB -0.868 18.140 19.000 0.014 0.000 0.819 128 A HN 0.474 nan 8.150 nan 0.000 0.442 129 T N -4.473 110.087 114.554 0.010 0.000 3.088 129 T HA 0.361 4.725 4.350 0.022 0.000 0.259 129 T C 1.457 176.179 174.700 0.036 0.000 1.122 129 T CA 1.184 63.282 62.100 -0.002 0.000 1.095 129 T CB -0.059 68.790 68.868 -0.032 0.000 0.930 129 T HN 1.732 nan 8.240 nan 0.000 0.508 130 G N 1.390 110.242 108.800 0.086 0.000 2.159 130 G HA2 -0.328 3.645 3.960 0.022 0.000 0.256 130 G HA3 -0.328 3.645 3.960 0.022 0.000 0.256 130 G C 0.541 175.525 174.900 0.139 0.000 0.977 130 G CA 0.667 45.865 45.100 0.164 0.000 0.652 130 G HN 0.661 nan 8.290 nan 0.000 0.531 131 E N -1.308 118.936 120.200 0.072 0.000 2.106 131 E HA -0.042 4.321 4.350 0.022 0.000 0.192 131 E C 0.471 177.204 176.600 0.222 0.000 0.984 131 E CA 0.597 57.025 56.400 0.047 0.000 0.806 131 E CB 0.063 29.681 29.700 -0.136 0.000 0.750 131 E HN 0.450 nan 8.360 nan 0.000 0.458 132 W N 0.865 122.176 121.300 0.017 0.000 2.478 132 W HA 0.456 5.128 4.660 0.021 0.000 0.318 132 W C -0.483 175.989 176.519 -0.078 0.000 1.062 132 W CA -1.263 56.078 57.345 -0.007 0.000 1.210 132 W CB 0.618 30.110 29.460 0.052 0.000 1.325 132 W HN -0.043 nan 8.180 nan 0.000 0.496 133 I N 3.222 123.790 120.570 -0.003 0.000 2.353 133 I HA 0.490 4.674 4.170 0.022 0.000 0.293 133 I C 1.008 176.972 176.117 -0.255 0.000 0.992 133 I CA -0.368 60.745 61.300 -0.313 0.000 1.268 133 I CB 0.913 38.531 38.000 -0.638 0.000 1.387 133 I HN 0.400 nan 8.210 nan 0.000 0.478 134 G N 4.421 113.107 108.800 -0.189 0.000 2.434 134 G HA2 0.631 4.604 3.960 0.022 0.000 0.330 134 G HA3 0.631 4.604 3.960 0.022 0.000 0.330 134 G C -0.908 173.893 174.900 -0.166 0.000 1.155 134 G CA -0.452 44.553 45.100 -0.158 0.000 0.917 134 G HN 0.888 nan 8.290 nan 0.000 0.493 135 C N -0.519 118.664 119.300 -0.194 0.000 3.241 135 C HA 0.858 5.332 4.460 0.022 0.000 0.312 135 C C -1.232 173.818 174.990 0.100 0.000 1.350 135 C CA -1.515 57.464 59.018 -0.065 0.000 1.415 135 C CB 0.923 28.541 27.740 -0.203 0.000 1.770 135 C HN 0.756 nan 8.230 nan 0.000 0.466 136 F N 1.578 121.556 119.950 0.046 0.000 2.499 136 F HA 0.656 5.196 4.527 0.021 0.000 0.333 136 F C 0.310 176.220 175.800 0.183 0.000 1.138 136 F CA -0.058 58.031 58.000 0.148 0.000 0.945 136 F CB 1.454 40.572 39.000 0.197 0.000 1.181 136 F HN 1.087 nan 8.300 nan 0.000 0.435 137 G N 6.744 115.465 108.800 -0.131 0.000 2.922 137 G HA2 0.411 4.385 3.960 0.022 0.000 0.335 137 G HA3 0.411 4.385 3.960 0.022 0.000 0.335 137 G C -0.388 174.457 174.900 -0.092 0.000 1.016 137 G CA -0.227 44.835 45.100 -0.063 0.000 1.306 137 G HN 0.747 nan 8.290 nan 0.000 0.465 138 L N 1.979 123.148 121.223 -0.090 0.000 2.588 138 L HA 0.412 4.766 4.340 0.022 0.000 0.194 138 L C 1.332 178.229 176.870 0.045 0.000 1.070 138 L CA 0.802 55.626 54.840 -0.028 0.000 0.852 138 L CB 0.064 42.069 42.059 -0.090 0.000 1.199 138 L HN 0.215 nan 8.230 nan 0.000 0.486 139 T N 2.337 116.944 114.554 0.088 0.000 2.853 139 T HA 0.184 4.547 4.350 0.022 0.000 0.298 139 T C -0.255 174.486 174.700 0.068 0.000 0.978 139 T CA 0.125 62.275 62.100 0.083 0.000 1.152 139 T CB 0.122 69.052 68.868 0.103 0.000 0.914 139 T HN 0.255 nan 8.240 nan 0.000 0.539 140 E N 3.299 123.531 120.200 0.053 0.000 2.263 140 E HA 0.452 4.815 4.350 0.022 0.000 0.264 140 E C -1.998 174.628 176.600 0.043 0.000 0.923 140 E CA -1.991 54.428 56.400 0.033 0.000 0.802 140 E CB 1.107 30.817 29.700 0.017 0.000 1.228 140 E HN 0.422 nan 8.360 nan 0.000 0.417 147 P HA 0.262 nan 4.420 nan 0.000 0.235 147 P C 1.298 178.573 177.300 -0.041 0.000 1.177 147 P CA 1.190 64.268 63.100 -0.036 0.000 0.785 147 P CB 0.017 31.683 31.700 -0.056 0.000 0.885 148 G N 0.668 109.436 108.800 -0.054 0.000 2.484 148 G HA2 -0.159 3.814 3.960 0.022 0.000 0.218 148 G HA3 -0.159 3.814 3.960 0.022 0.000 0.218 148 G C 1.313 176.183 174.900 -0.051 0.000 1.130 148 G CA 0.811 45.876 45.100 -0.057 0.000 0.784 148 G HN 0.439 nan 8.290 nan 0.000 0.543 149 S N -0.477 115.196 115.700 -0.046 0.000 2.660 149 S HA 0.337 4.820 4.470 0.022 0.000 0.227 149 S C 0.934 175.520 174.600 -0.022 0.000 0.948 149 S CA -0.511 57.666 58.200 -0.039 0.000 0.948 149 S CB -0.264 62.912 63.200 -0.041 0.000 0.779 149 S HN 0.341 nan 8.310 nan 0.000 0.487 150 M N 1.376 120.966 119.600 -0.017 0.000 2.245 150 M HA 0.215 4.709 4.480 0.022 0.000 0.344 150 M C -0.062 176.233 176.300 -0.008 0.000 1.170 150 M CA 0.357 55.654 55.300 -0.005 0.000 1.135 150 M CB 1.042 33.645 32.600 0.005 0.000 1.574 150 M HN 0.092 nan 8.290 nan 0.000 0.452 151 V N 2.573 122.482 119.914 -0.009 0.000 3.556 151 V HA 0.072 4.205 4.120 0.022 0.000 0.287 151 V C 0.482 176.562 176.094 -0.023 0.000 1.422 151 V CA 0.284 62.575 62.300 -0.016 0.000 1.038 151 V CB 0.806 32.620 31.823 -0.016 0.000 0.850 151 V HN 0.962 nan 8.190 nan 0.000 0.437 152 T N 2.717 117.257 114.554 -0.023 0.000 2.853 152 T HA 0.314 4.678 4.350 0.022 0.000 0.298 152 T C 0.023 174.690 174.700 -0.054 0.000 0.978 152 T CA 0.442 62.516 62.100 -0.044 0.000 1.152 152 T CB 0.496 69.337 68.868 -0.044 0.000 0.914 152 T HN 0.353 nan 8.240 nan 0.000 0.539 153 R N 2.068 122.517 120.500 -0.085 0.000 2.532 153 R HA 0.661 5.014 4.340 0.022 0.000 0.297 153 R C -1.279 174.932 176.300 -0.148 0.000 0.984 153 R CA -0.511 55.539 56.100 -0.083 0.000 0.884 153 R CB 1.110 31.379 30.300 -0.051 0.000 1.182 153 R HN 0.652 nan 8.270 nan 0.000 0.442 154 A N 4.196 126.913 122.820 -0.171 0.000 2.317 154 A HA 0.776 5.110 4.320 0.022 0.000 0.327 154 A C -0.827 176.728 177.584 -0.048 0.000 1.178 154 A CA -0.717 51.172 52.037 -0.247 0.000 0.817 154 A CB 0.922 19.579 19.000 -0.571 0.000 1.189 154 A HN 0.749 nan 8.150 nan 0.000 0.489 155 R N 1.409 121.915 120.500 0.010 0.000 2.575 155 R HA 0.338 4.691 4.340 0.022 0.000 0.293 155 R C -0.763 175.617 176.300 0.132 0.000 0.983 155 R CA -0.645 55.497 56.100 0.070 0.000 0.887 155 R CB 1.652 31.966 30.300 0.023 0.000 1.184 155 R HN 0.751 nan 8.270 nan 0.000 0.445 156 K N 2.703 123.189 120.400 0.143 0.000 2.412 156 K HA 0.176 4.509 4.320 0.022 0.000 0.281 156 K C -0.185 176.420 176.600 0.008 0.000 1.027 156 K CA 0.036 56.364 56.287 0.068 0.000 0.989 156 K CB 0.894 33.427 32.500 0.055 0.000 0.935 156 K HN 0.409 nan 8.250 nan 0.000 0.475 157 V N 0.712 120.604 119.914 -0.037 0.000 3.160 157 V HA 0.502 4.635 4.120 0.022 0.000 0.310 157 V C -2.755 173.335 176.094 -0.007 0.000 1.181 157 V CA -2.891 59.415 62.300 0.010 0.000 1.047 157 V CB 1.505 33.379 31.823 0.085 0.000 1.068 157 V HN 0.523 nan 8.190 nan 0.000 0.441 158 P HA 0.342 nan 4.420 nan 0.000 0.262 158 P C 0.887 178.224 177.300 0.062 0.000 1.199 158 P CA 1.899 65.001 63.100 0.002 0.000 0.763 158 P CB 0.485 32.175 31.700 -0.016 0.000 0.790 159 G N 1.934 110.759 108.800 0.041 0.000 2.175 159 G HA2 0.015 3.989 3.960 0.022 0.000 0.244 159 G HA3 0.015 3.989 3.960 0.022 0.000 0.244 159 G C 0.491 175.443 174.900 0.088 0.000 0.982 159 G CA 0.213 45.389 45.100 0.126 0.000 0.641 159 G HN 0.991 nan 8.290 nan 0.000 0.527 160 G N -1.305 107.397 108.800 -0.163 0.000 2.251 160 G HA2 0.506 4.480 3.960 0.022 0.000 0.058 160 G HA3 0.506 4.480 3.960 0.022 0.000 0.058 160 G C -0.858 173.465 174.900 -0.963 0.000 0.922 160 G CA 0.242 44.946 45.100 -0.661 0.000 1.133 160 G HN 1.115 nan 8.290 nan 0.000 0.410 161 Y N -0.225 119.969 120.300 -0.177 0.000 2.562 161 Y HA 0.802 5.363 4.550 0.018 0.000 0.345 161 Y C 0.090 175.884 175.900 -0.175 0.000 1.045 161 Y CA -0.657 57.363 58.100 -0.133 0.000 1.028 161 Y CB 2.347 40.733 38.460 -0.122 0.000 1.297 161 Y HN 0.534 nan 8.280 nan 0.000 0.463 162 S N 1.691 117.413 115.700 0.035 0.000 2.478 162 S HA 0.736 5.219 4.470 0.022 0.000 0.312 162 S C -1.564 172.965 174.600 -0.119 0.000 1.094 162 S CA -0.434 57.757 58.200 -0.014 0.000 1.081 162 S CB 0.329 63.550 63.200 0.034 0.000 1.007 162 S HN 0.488 nan 8.310 nan 0.000 0.475 163 L N 3.905 125.025 121.223 -0.172 0.000 2.325 163 L HA 0.575 4.928 4.340 0.022 0.000 0.281 163 L C -0.373 176.403 176.870 -0.158 0.000 1.004 163 L CA 0.135 54.830 54.840 -0.241 0.000 0.823 163 L CB 1.875 43.715 42.059 -0.364 0.000 1.236 163 L HN 0.558 nan 8.230 nan 0.000 0.415 164 S N 1.535 117.155 115.700 -0.133 0.000 2.557 164 S HA 0.972 5.456 4.470 0.022 0.000 0.291 164 S C -0.076 174.472 174.600 -0.088 0.000 1.116 164 S CA -0.357 57.786 58.200 -0.096 0.000 0.992 164 S CB 1.942 65.101 63.200 -0.068 0.000 1.028 164 S HN 0.955 nan 8.310 nan 0.000 0.484 165 G N 1.167 109.921 108.800 -0.077 0.000 2.343 165 G HA2 0.466 4.440 3.960 0.022 0.000 0.289 165 G HA3 0.466 4.440 3.960 0.022 0.000 0.289 165 G C -1.697 173.167 174.900 -0.059 0.000 1.295 165 G CA -0.605 44.458 45.100 -0.063 0.000 0.869 165 G HN 0.678 nan 8.290 nan 0.000 0.522 166 S N 0.026 115.699 115.700 -0.046 0.000 2.572 166 S HA 0.684 5.167 4.470 0.022 0.000 0.274 166 S C -0.930 173.652 174.600 -0.029 0.000 1.150 166 S CA -0.800 57.374 58.200 -0.042 0.000 0.944 166 S CB 1.792 64.966 63.200 -0.043 0.000 1.071 166 S HN 0.589 nan 8.310 nan 0.000 0.479 167 K N 1.994 122.380 120.400 -0.024 0.000 2.259 167 K HA 0.638 4.971 4.320 0.022 0.000 0.252 167 K C -0.757 175.831 176.600 -0.021 0.000 0.936 167 K CA -0.783 55.504 56.287 -0.001 0.000 0.810 167 K CB 1.948 34.462 32.500 0.023 0.000 1.143 167 K HN 0.557 nan 8.250 nan 0.000 0.427 168 M N 0.695 120.288 119.600 -0.011 0.000 2.591 168 M HA 0.331 4.824 4.480 0.022 0.000 0.306 168 M C -1.351 174.962 176.300 0.022 0.000 1.190 168 M CA -0.060 55.171 55.300 -0.115 0.000 0.889 168 M CB 1.046 33.542 32.600 -0.173 0.000 1.728 168 M HN 0.615 nan 8.290 nan 0.000 0.458 169 W N 4.022 125.350 121.300 0.047 0.000 5.721 169 W HA -0.168 4.505 4.660 0.022 0.000 0.406 169 W C -0.878 175.691 176.519 0.083 0.000 1.576 169 W CA -0.261 57.127 57.345 0.072 0.000 0.977 169 W CB -1.691 27.804 29.460 0.058 0.000 2.771 169 W HN 0.333 nan 8.180 nan 0.000 1.435 170 I N 1.484 122.184 120.570 0.216 0.000 2.306 170 I HA 0.139 4.322 4.170 0.022 0.000 0.288 170 I C 1.261 177.487 176.117 0.182 0.000 1.036 170 I CA -0.350 61.069 61.300 0.198 0.000 1.221 170 I CB 0.144 38.230 38.000 0.143 0.000 1.385 170 I HN 0.058 nan 8.210 nan 0.000 0.472 171 T N 4.278 118.963 114.554 0.218 0.000 2.930 171 T HA 0.127 4.490 4.350 0.022 0.000 0.306 171 T C 0.983 175.768 174.700 0.141 0.000 1.045 171 T CA 0.216 62.435 62.100 0.197 0.000 1.134 171 T CB 0.494 69.498 68.868 0.227 0.000 0.961 171 T HN 0.658 nan 8.240 nan 0.000 0.545 172 N N 0.717 119.489 118.700 0.121 0.000 2.967 172 N HA -0.254 4.499 4.740 0.022 0.000 0.218 172 N C 1.383 176.846 175.510 -0.078 0.000 0.870 172 N CA 1.890 54.959 53.050 0.031 0.000 1.030 172 N CB -2.035 36.446 38.487 -0.011 0.000 1.027 172 N HN 0.893 nan 8.380 nan 0.000 0.603 173 S N 0.320 115.994 115.700 -0.043 0.000 2.370 173 S HA -0.026 4.457 4.470 0.022 0.000 0.226 173 S C -0.839 173.748 174.600 -0.021 0.000 1.033 173 S CA 1.572 59.724 58.200 -0.080 0.000 1.011 173 S CB -0.985 62.246 63.200 0.051 0.000 0.852 173 S HN 0.249 nan 8.310 nan 0.000 0.457 174 P HA 0.086 nan 4.420 nan 0.000 0.228 174 P C 1.050 178.362 177.300 0.021 0.000 1.151 174 P CA 0.875 63.995 63.100 0.034 0.000 0.770 174 P CB -0.338 31.374 31.700 0.020 0.000 0.786 175 I N -6.613 113.937 120.570 -0.034 0.000 3.966 175 I HA 0.526 4.710 4.170 0.022 0.000 0.324 175 I C 0.165 176.184 176.117 -0.164 0.000 1.517 175 I CA -0.927 60.338 61.300 -0.058 0.000 1.117 175 I CB 0.352 38.331 38.000 -0.036 0.000 1.190 175 I HN -0.307 nan 8.210 nan 0.000 0.466 176 A N 1.022 123.691 122.820 -0.251 0.000 2.309 176 A HA 0.418 4.752 4.320 0.022 0.000 0.298 176 A C 0.401 177.788 177.584 -0.328 0.000 1.165 176 A CA -0.392 51.369 52.037 -0.460 0.000 0.821 176 A CB 0.446 18.922 19.000 -0.872 0.000 1.102 176 A HN 0.366 nan 8.150 nan 0.000 0.500 177 D N 0.950 121.171 120.400 -0.297 0.000 2.277 177 D HA 0.070 4.723 4.640 0.022 0.000 0.209 177 D C 0.026 176.155 176.300 -0.284 0.000 0.970 177 D CA 1.134 54.962 54.000 -0.288 0.000 0.874 177 D CB 0.355 40.854 40.800 -0.502 0.000 0.982 177 D HN 0.250 nan 8.370 nan 0.000 0.504 178 V N 1.383 121.098 119.914 -0.332 0.000 2.448 178 V HA 0.332 4.465 4.120 0.022 0.000 0.295 178 V C -0.845 175.078 176.094 -0.285 0.000 1.025 178 V CA -0.675 61.496 62.300 -0.214 0.000 0.859 178 V CB 1.611 33.334 31.823 -0.166 0.000 0.988 178 V HN -0.096 nan 8.190 nan 0.000 0.431 179 F N 3.483 123.313 119.950 -0.199 0.000 2.477 179 F HA 0.579 5.119 4.527 0.021 0.000 0.335 179 F C -0.065 175.612 175.800 -0.204 0.000 1.130 179 F CA -1.056 56.852 58.000 -0.154 0.000 0.948 179 F CB 1.976 40.892 39.000 -0.140 0.000 1.154 179 F HN 0.159 nan 8.300 nan 0.000 0.439 180 V N 4.989 124.877 119.914 -0.044 0.000 2.333 180 V HA 0.395 4.529 4.120 0.022 0.000 0.274 180 V C -0.314 175.559 176.094 -0.367 0.000 1.028 180 V CA -0.639 61.529 62.300 -0.219 0.000 0.851 180 V CB 1.296 33.033 31.823 -0.143 0.000 1.000 180 V HN 0.510 nan 8.190 nan 0.000 0.456 181 V N 4.574 124.228 119.914 -0.434 0.000 2.495 181 V HA 0.482 4.615 4.120 0.022 0.000 0.298 181 V C -0.870 174.957 176.094 -0.444 0.000 1.031 181 V CA -0.786 61.310 62.300 -0.340 0.000 0.871 181 V CB 1.910 33.643 31.823 -0.150 0.000 0.988 181 V HN 0.892 nan 8.190 nan 0.000 0.432 182 W N 3.503 124.731 121.300 -0.121 0.000 2.361 182 W HA 0.773 5.445 4.660 0.019 0.000 0.309 182 W C 0.138 176.642 176.519 -0.025 0.000 1.122 182 W CA -0.235 57.068 57.345 -0.070 0.000 1.208 182 W CB 1.610 30.974 29.460 -0.161 0.000 1.246 182 W HN 0.701 nan 8.180 nan 0.000 0.490 183 A N 2.897 125.867 122.820 0.251 0.000 2.574 183 A HA 0.635 4.969 4.320 0.022 0.000 0.297 183 A C -1.117 176.559 177.584 0.153 0.000 1.062 183 A CA -1.229 50.879 52.037 0.117 0.000 0.686 183 A CB 1.227 20.180 19.000 -0.079 0.000 1.285 183 A HN 0.577 nan 8.150 nan 0.000 0.403 184 K N 0.215 120.655 120.400 0.067 0.000 2.298 184 K HA 0.486 4.819 4.320 0.022 0.000 0.280 184 K C -1.115 175.516 176.600 0.051 0.000 1.032 184 K CA -0.099 56.222 56.287 0.056 0.000 0.958 184 K CB 1.070 33.584 32.500 0.022 0.000 0.978 184 K HN 0.484 nan 8.250 nan 0.000 0.472 185 L N 3.165 124.426 121.223 0.064 0.000 2.406 185 L HA 0.235 4.589 4.340 0.022 0.000 0.270 185 L C -1.236 175.662 176.870 0.048 0.000 0.982 185 L CA -0.548 54.332 54.840 0.067 0.000 0.843 185 L CB 1.431 43.553 42.059 0.105 0.000 1.225 185 L HN 0.490 nan 8.230 nan 0.000 0.412 186 D N 4.323 124.748 120.400 0.041 0.000 2.382 186 D HA 0.202 4.856 4.640 0.022 0.000 0.259 186 D C -0.679 175.648 176.300 0.045 0.000 1.224 186 D CA 0.691 54.711 54.000 0.033 0.000 0.894 186 D CB 0.624 41.438 40.800 0.024 0.000 1.127 186 D HN 0.700 nan 8.370 nan 0.000 0.487 187 E N 3.318 123.540 120.200 0.038 0.000 2.366 187 E HA 0.177 4.541 4.350 0.022 0.000 0.278 187 E C -0.091 176.526 176.600 0.029 0.000 0.923 187 E CA -0.749 55.678 56.400 0.044 0.000 0.761 187 E CB 1.170 30.902 29.700 0.055 0.000 1.231 187 E HN 0.390 nan 8.360 nan 0.000 0.443 188 D N 1.521 121.938 120.400 0.029 0.000 3.630 188 D HA -0.306 4.347 4.640 0.022 0.000 0.154 188 D C 1.053 177.363 176.300 0.017 0.000 0.923 188 D CA 1.792 55.805 54.000 0.021 0.000 0.967 188 D CB -1.027 39.784 40.800 0.018 0.000 0.459 188 D HN 0.712 nan 8.370 nan 0.000 0.425 189 G N 0.365 109.173 108.800 0.012 0.000 2.394 189 G HA2 -0.056 3.917 3.960 0.022 0.000 0.215 189 G HA3 -0.056 3.917 3.960 0.022 0.000 0.215 189 G C 0.681 175.586 174.900 0.007 0.000 1.165 189 G CA 0.739 45.845 45.100 0.009 0.000 0.784 189 G HN 0.326 nan 8.290 nan 0.000 0.535 190 R N 0.181 120.685 120.500 0.007 0.000 2.532 190 R HA 0.402 4.756 4.340 0.022 0.000 0.295 190 R C -1.530 174.774 176.300 0.006 0.000 0.968 190 R CA -0.706 55.396 56.100 0.003 0.000 0.916 190 R CB 1.600 31.899 30.300 -0.001 0.000 1.124 190 R HN -0.035 nan 8.270 nan 0.000 0.463 191 D N 2.128 122.530 120.400 0.003 0.000 2.393 191 D HA 0.088 4.741 4.640 0.022 0.000 0.232 191 D C -0.695 175.606 176.300 0.001 0.000 1.192 191 D CA 0.094 54.097 54.000 0.005 0.000 0.882 191 D CB 0.513 41.314 40.800 0.002 0.000 1.038 191 D HN 0.358 nan 8.370 nan 0.000 0.499 192 E N 1.775 121.979 120.200 0.006 0.000 2.299 192 E HA 0.510 4.873 4.350 0.022 0.000 0.260 192 E C -0.204 176.406 176.600 0.017 0.000 0.944 192 E CA -1.017 55.383 56.400 0.000 0.000 0.815 192 E CB 1.878 31.572 29.700 -0.010 0.000 1.252 192 E HN 0.347 nan 8.360 nan 0.000 0.418 193 I N 2.183 122.763 120.570 0.017 0.000 2.325 193 I HA 0.290 4.474 4.170 0.022 0.000 0.291 193 I C -0.105 176.063 176.117 0.084 0.000 1.019 193 I CA -0.555 60.785 61.300 0.066 0.000 1.302 193 I CB 0.339 38.368 38.000 0.048 0.000 1.401 193 I HN 0.157 nan 8.210 nan 0.000 0.485 194 R N 4.312 124.881 120.500 0.115 0.000 2.803 194 R HA 0.627 4.980 4.340 0.022 0.000 0.276 194 R C -0.246 175.992 176.300 -0.103 0.000 0.978 194 R CA -0.954 55.101 56.100 -0.075 0.000 0.939 194 R CB 1.864 31.967 30.300 -0.327 0.000 1.179 194 R HN 0.737 nan 8.270 nan 0.000 0.472 195 G N 1.327 109.831 108.800 -0.494 0.000 2.379 195 G HA2 0.646 4.619 3.960 0.022 0.000 0.327 195 G HA3 0.646 4.619 3.960 0.022 0.000 0.327 195 G C -1.122 173.206 174.900 -0.953 0.000 1.145 195 G CA -0.303 44.238 45.100 -0.933 0.000 0.905 195 G HN 0.281 nan 8.290 nan 0.000 0.466 196 F N 0.788 120.402 119.950 -0.560 0.000 2.551 196 F HA 0.502 5.045 4.527 0.027 0.000 0.316 196 F C 0.274 175.852 175.800 -0.369 0.000 1.089 196 F CA -0.850 56.912 58.000 -0.397 0.000 0.915 196 F CB 2.428 41.223 39.000 -0.342 0.000 1.186 196 F HN 0.183 nan 8.300 nan 0.000 0.456 197 I N 4.202 124.691 120.570 -0.136 0.000 2.331 197 I HA 0.395 4.578 4.170 0.022 0.000 0.292 197 I C -0.951 175.092 176.117 -0.124 0.000 0.998 197 I CA -0.530 60.646 61.300 -0.206 0.000 1.267 197 I CB 1.165 38.952 38.000 -0.354 0.000 1.386 197 I HN 0.339 nan 8.210 nan 0.000 0.476 198 L N 6.233 127.392 121.223 -0.106 0.000 2.354 198 L HA 0.486 4.839 4.340 0.022 0.000 0.269 198 L C -0.289 176.563 176.870 -0.030 0.000 1.005 198 L CA -0.395 54.384 54.840 -0.101 0.000 0.819 198 L CB 1.899 43.830 42.059 -0.215 0.000 1.311 198 L HN 0.497 nan 8.230 nan 0.000 0.423 199 E N 1.127 121.287 120.200 -0.066 0.000 2.212 199 E HA 0.323 4.687 4.350 0.022 0.000 0.270 199 E C -0.836 175.716 176.600 -0.081 0.000 0.956 199 E CA -0.958 55.413 56.400 -0.049 0.000 0.825 199 E CB 1.591 31.255 29.700 -0.061 0.000 1.167 199 E HN 0.300 nan 8.360 nan 0.000 0.400 200 K N 0.820 121.234 120.400 0.024 0.000 2.489 200 K HA 0.042 4.375 4.320 0.022 0.000 0.278 200 K C 0.649 177.223 176.600 -0.042 0.000 1.000 200 K CA 1.290 57.598 56.287 0.035 0.000 1.012 200 K CB 0.183 32.735 32.500 0.086 0.000 0.903 200 K HN 0.749 nan 8.250 nan 0.000 0.485 201 G N 2.802 111.565 108.800 -0.061 0.000 2.308 201 G HA2 -0.301 3.673 3.960 0.022 0.000 0.221 201 G HA3 -0.301 3.673 3.960 0.022 0.000 0.221 201 G C 0.383 175.245 174.900 -0.063 0.000 1.032 201 G CA -0.124 44.949 45.100 -0.044 0.000 0.623 201 G HN 0.880 nan 8.290 nan 0.000 0.506 202 C N 3.387 122.634 119.300 -0.090 0.000 2.250 202 C HA 0.324 4.797 4.460 0.022 0.000 0.389 202 C C 1.310 176.252 174.990 -0.080 0.000 1.488 202 C CA 0.425 59.394 59.018 -0.081 0.000 1.514 202 C CB -0.636 27.026 27.740 -0.129 0.000 2.546 202 C HN 0.492 nan 8.230 nan 0.000 0.579 203 K N 3.780 124.157 120.400 -0.039 0.000 2.368 203 K HA 0.376 4.710 4.320 0.022 0.000 0.282 203 K C 1.195 177.766 176.600 -0.048 0.000 1.035 203 K CA 1.081 57.345 56.287 -0.038 0.000 0.973 203 K CB 0.618 33.106 32.500 -0.020 0.000 0.957 203 K HN 1.254 nan 8.250 nan 0.000 0.474 204 G N 2.276 111.039 108.800 -0.062 0.000 2.175 204 G HA2 -0.230 3.744 3.960 0.022 0.000 0.244 204 G HA3 -0.230 3.744 3.960 0.022 0.000 0.244 204 G C -0.549 174.286 174.900 -0.109 0.000 0.982 204 G CA -0.097 44.961 45.100 -0.071 0.000 0.641 204 G HN 0.477 nan 8.290 nan 0.000 0.527 205 L N 2.344 123.482 121.223 -0.143 0.000 2.325 205 L HA 0.837 5.190 4.340 0.022 0.000 0.281 205 L C 0.037 176.797 176.870 -0.183 0.000 1.004 205 L CA -0.439 54.271 54.840 -0.217 0.000 0.823 205 L CB 1.875 43.723 42.059 -0.351 0.000 1.236 205 L HN 0.540 nan 8.230 nan 0.000 0.415 206 S N 3.488 119.102 115.700 -0.144 0.000 2.536 206 S HA 0.912 5.395 4.470 0.022 0.000 0.287 206 S C -0.395 174.181 174.600 -0.040 0.000 1.101 206 S CA -0.327 57.824 58.200 -0.082 0.000 0.950 206 S CB 1.866 65.033 63.200 -0.054 0.000 1.056 206 S HN 0.963 nan 8.310 nan 0.000 0.481 207 A N 2.752 125.585 122.820 0.021 0.000 3.105 207 A HA 0.607 4.941 4.320 0.022 0.000 0.336 207 A C -2.697 174.912 177.584 0.042 0.000 1.042 207 A CA -1.516 50.569 52.037 0.080 0.000 0.851 207 A CB -0.095 19.044 19.000 0.232 0.000 1.068 207 A HN 0.617 nan 8.150 nan 0.000 0.477 208 P HA 0.304 nan 4.420 nan 0.000 0.271 208 P C 0.260 177.539 177.300 -0.036 0.000 1.216 208 P CA 0.283 63.380 63.100 -0.005 0.000 0.776 208 P CB 1.097 32.786 31.700 -0.018 0.000 0.881 209 A N 4.014 126.806 122.820 -0.047 0.000 2.386 209 A HA 0.359 4.692 4.320 0.022 0.000 0.248 209 A C 0.319 177.754 177.584 -0.248 0.000 1.082 209 A CA -0.383 51.553 52.037 -0.168 0.000 0.789 209 A CB -0.288 18.560 19.000 -0.254 0.000 1.025 209 A HN 0.534 nan 8.150 nan 0.000 0.490 210 I N 1.054 121.448 120.570 -0.294 0.000 2.359 210 I HA 0.351 4.535 4.170 0.022 0.000 0.294 210 I C -0.163 175.766 176.117 -0.313 0.000 0.987 210 I CA -0.021 61.135 61.300 -0.240 0.000 1.225 210 I CB 1.262 39.134 38.000 -0.213 0.000 1.366 210 I HN 0.756 nan 8.210 nan 0.000 0.466 211 H N 2.806 121.894 119.070 0.029 0.000 2.679 211 H HA 0.575 5.145 4.556 0.023 0.000 0.367 211 H C 0.352 175.710 175.328 0.050 0.000 1.162 211 H CA -0.278 55.794 56.048 0.039 0.000 1.181 211 H CB 2.015 31.791 29.762 0.024 0.000 1.693 211 H HN 0.777 nan 8.280 nan 0.000 0.538 212 G N 2.110 111.018 108.800 0.180 0.000 2.341 212 G HA2 -0.256 3.717 3.960 0.022 0.000 0.278 212 G HA3 -0.256 3.717 3.960 0.022 0.000 0.278 212 G C -0.388 174.567 174.900 0.092 0.000 1.111 212 G CA -0.352 44.807 45.100 0.098 0.000 0.982 212 G HN 0.481 nan 8.290 nan 0.000 0.502 213 K N -0.709 119.734 120.400 0.071 0.000 2.202 213 K HA 0.471 4.804 4.320 0.022 0.000 0.264 213 K C 1.429 178.013 176.600 -0.026 0.000 1.010 213 K CA -0.400 55.924 56.287 0.062 0.000 0.940 213 K CB 1.723 34.261 32.500 0.063 0.000 0.983 213 K HN 0.026 nan 8.250 nan 0.000 0.475 214 V N 1.068 120.970 119.914 -0.020 0.000 2.500 214 V HA -0.009 4.124 4.120 0.022 0.000 0.243 214 V C 1.013 177.103 176.094 -0.008 0.000 1.039 214 V CA 1.501 63.788 62.300 -0.022 0.000 1.053 214 V CB 0.207 32.025 31.823 -0.008 0.000 0.695 214 V HN 0.939 nan 8.190 nan 0.000 0.463 215 G N -1.832 106.952 108.800 -0.027 0.000 2.568 215 G HA2 0.531 4.505 3.960 0.022 0.000 0.313 215 G HA3 0.531 4.505 3.960 0.022 0.000 0.313 215 G C -0.163 174.741 174.900 0.007 0.000 1.227 215 G CA -0.756 44.364 45.100 0.035 0.000 0.979 215 G HN 0.230 nan 8.290 nan 0.000 0.486 216 L N -1.034 120.246 121.223 0.094 0.000 3.839 216 L HA -0.244 4.109 4.340 0.022 0.000 0.416 216 L C 2.103 178.975 176.870 0.003 0.000 1.195 216 L CA 0.140 55.014 54.840 0.058 0.000 0.946 216 L CB -0.940 41.126 42.059 0.010 0.000 1.891 216 L HN 0.653 nan 8.230 nan 0.000 0.963 217 R N 0.303 120.724 120.500 -0.132 0.000 2.237 217 R HA -0.041 4.313 4.340 0.022 0.000 0.219 217 R C 2.199 178.408 176.300 -0.152 0.000 1.080 217 R CA 1.189 57.100 56.100 -0.314 0.000 0.995 217 R CB -0.105 29.661 30.300 -0.890 0.000 0.875 217 R HN 0.598 nan 8.270 nan 0.000 0.462 218 A N 0.732 123.527 122.820 -0.041 0.000 2.167 218 A HA -0.022 4.311 4.320 0.022 0.000 0.214 218 A C 0.949 178.525 177.584 -0.013 0.000 1.151 218 A CA 0.597 52.596 52.037 -0.064 0.000 0.735 218 A CB 0.087 18.895 19.000 -0.321 0.000 0.802 218 A HN 0.227 nan 8.150 nan 0.000 0.467 219 S N -0.241 115.474 115.700 0.024 0.000 2.498 219 S HA 0.570 5.054 4.470 0.022 0.000 0.317 219 S C -0.303 174.369 174.600 0.120 0.000 1.090 219 S CA -0.699 57.568 58.200 0.112 0.000 1.089 219 S CB 0.606 63.883 63.200 0.129 0.000 0.997 219 S HN 0.345 nan 8.310 nan 0.000 0.470 220 I N 4.542 125.198 120.570 0.144 0.000 2.683 220 I HA 0.216 4.400 4.170 0.022 0.000 0.286 220 I C -0.408 175.774 176.117 0.108 0.000 1.175 220 I CA 0.778 62.141 61.300 0.105 0.000 1.429 220 I CB 0.591 38.653 38.000 0.103 0.000 1.371 220 I HN 0.794 nan 8.210 nan 0.000 0.569 221 T N 5.267 119.865 114.554 0.074 0.000 2.909 221 T HA 0.750 5.113 4.350 0.022 0.000 0.299 221 T C -0.114 174.603 174.700 0.028 0.000 1.073 221 T CA -0.514 61.653 62.100 0.111 0.000 0.999 221 T CB 1.849 70.852 68.868 0.225 0.000 1.098 221 T HN 0.859 nan 8.240 nan 0.000 0.477 222 G N 0.744 109.562 108.800 0.029 0.000 2.753 222 G HA2 0.667 4.640 3.960 0.022 0.000 0.303 222 G HA3 0.667 4.640 3.960 0.022 0.000 0.303 222 G C -1.578 173.294 174.900 -0.047 0.000 1.242 222 G CA -0.757 44.318 45.100 -0.042 0.000 0.810 222 G HN 0.631 nan 8.290 nan 0.000 0.515 223 E N -1.072 119.095 120.200 -0.056 0.000 2.239 223 E HA 0.647 5.011 4.350 0.022 0.000 0.261 223 E C -0.916 175.701 176.600 0.028 0.000 1.016 223 E CA -0.598 55.775 56.400 -0.046 0.000 0.882 223 E CB 2.408 32.058 29.700 -0.084 0.000 1.190 223 E HN 0.256 nan 8.360 nan 0.000 0.415 224 I N 1.389 121.973 120.570 0.024 0.000 2.468 224 I HA 0.228 4.412 4.170 0.022 0.000 0.285 224 I C -1.165 174.934 176.117 -0.030 0.000 1.039 224 I CA -0.785 60.536 61.300 0.035 0.000 1.074 224 I CB 1.787 39.843 38.000 0.093 0.000 1.228 224 I HN 0.119 nan 8.210 nan 0.000 0.436 225 V N 7.377 127.257 119.914 -0.057 0.000 2.334 225 V HA 0.423 4.557 4.120 0.022 0.000 0.281 225 V C -0.131 175.906 176.094 -0.096 0.000 1.016 225 V CA -0.477 61.781 62.300 -0.069 0.000 0.832 225 V CB 1.439 33.227 31.823 -0.059 0.000 0.999 225 V HN 0.461 nan 8.190 nan 0.000 0.439 226 L N 4.326 125.490 121.223 -0.099 0.000 2.265 226 L HA 0.583 4.936 4.340 0.022 0.000 0.289 226 L C -0.278 176.536 176.870 -0.093 0.000 1.033 226 L CA -0.164 54.606 54.840 -0.117 0.000 0.814 226 L CB 1.292 43.266 42.059 -0.142 0.000 1.203 226 L HN 0.514 nan 8.230 nan 0.000 0.423 227 D N 4.033 124.383 120.400 -0.084 0.000 2.458 227 D HA 0.173 4.827 4.640 0.022 0.000 0.258 227 D C -0.014 176.253 176.300 -0.054 0.000 1.134 227 D CA -0.415 53.547 54.000 -0.063 0.000 0.915 227 D CB 0.423 41.191 40.800 -0.053 0.000 1.028 227 D HN 0.577 nan 8.370 nan 0.000 0.508 228 E N 0.862 121.030 120.200 -0.053 0.000 2.269 228 E HA -0.228 4.135 4.350 0.022 0.000 0.223 228 E C -0.448 176.140 176.600 -0.020 0.000 1.244 228 E CA 0.571 56.950 56.400 -0.035 0.000 0.713 228 E CB -1.146 28.543 29.700 -0.018 0.000 1.178 228 E HN 0.519 nan 8.360 nan 0.000 0.370 229 A N 0.988 123.775 122.820 -0.056 0.000 2.454 229 A HA 0.343 4.676 4.320 0.022 0.000 0.260 229 A C -0.131 177.450 177.584 -0.006 0.000 1.106 229 A CA -0.211 51.798 52.037 -0.047 0.000 0.780 229 A CB 0.140 19.069 19.000 -0.119 0.000 1.044 229 A HN 0.326 nan 8.150 nan 0.000 0.498 230 F N 3.863 123.765 119.950 -0.080 0.000 2.467 230 F HA 0.474 5.015 4.527 0.023 0.000 0.362 230 F C -0.263 175.519 175.800 -0.029 0.000 1.090 230 F CA -0.081 57.888 58.000 -0.052 0.000 1.202 230 F CB 0.892 39.867 39.000 -0.042 0.000 1.113 230 F HN 0.269 nan 8.300 nan 0.000 0.541 231 V N 8.374 127.782 119.914 -0.842 0.000 2.407 231 V HA 0.343 4.477 4.120 0.022 0.000 0.291 231 V C -2.243 173.344 176.094 -0.845 0.000 1.018 231 V CA -1.966 59.977 62.300 -0.596 0.000 0.842 231 V CB 1.463 33.186 31.823 -0.167 0.000 0.996 231 V HN 0.645 nan 8.190 nan 0.000 0.426 232 P HA 0.163 nan 4.420 nan 0.000 0.271 232 P C 0.931 178.199 177.300 -0.054 0.000 1.218 232 P CA -0.125 62.792 63.100 -0.305 0.000 0.780 232 P CB 0.830 32.528 31.700 -0.004 0.000 0.901 233 E N 2.257 122.433 120.200 -0.040 0.000 2.187 233 E HA -0.251 4.112 4.350 0.022 0.000 0.199 233 E C 1.449 178.106 176.600 0.096 0.000 1.004 233 E CA 1.413 57.852 56.400 0.066 0.000 0.813 233 E CB -0.030 29.662 29.700 -0.014 0.000 0.736 233 E HN 0.633 nan 8.360 nan 0.000 0.468 234 E N -0.027 120.209 120.200 0.061 0.000 2.347 234 E HA -0.127 4.236 4.350 0.022 0.000 0.196 234 E C 0.879 177.517 176.600 0.063 0.000 1.008 234 E CA 0.635 57.069 56.400 0.058 0.000 0.852 234 E CB -0.172 29.566 29.700 0.063 0.000 0.783 234 E HN 0.099 nan 8.360 nan 0.000 0.505 235 N N 0.729 119.467 118.700 0.064 0.000 2.280 235 N HA 0.176 4.930 4.740 0.022 0.000 0.192 235 N C 0.059 175.540 175.510 -0.048 0.000 1.109 235 N CA 0.002 53.077 53.050 0.042 0.000 0.855 235 N CB 0.681 39.195 38.487 0.044 0.000 0.974 235 N HN 0.267 nan 8.380 nan 0.000 0.482 236 I N 1.730 122.245 120.570 -0.092 0.000 2.325 236 I HA 0.067 4.250 4.170 0.022 0.000 0.291 236 I C -0.544 175.369 176.117 -0.340 0.000 1.019 236 I CA -0.789 60.277 61.300 -0.391 0.000 1.302 236 I CB 0.583 38.266 38.000 -0.527 0.000 1.401 236 I HN -0.229 nan 8.210 nan 0.000 0.485 237 L N 11.364 132.347 121.223 -0.400 0.000 2.780 237 L HA 0.011 4.365 4.340 0.022 0.000 0.275 237 L C -1.363 175.335 176.870 -0.287 0.000 1.153 237 L CA -0.575 54.105 54.840 -0.267 0.000 0.993 237 L CB -0.408 41.514 42.059 -0.227 0.000 1.319 237 L HN 0.500 nan 8.230 nan 0.000 0.479 238 P HA -0.070 nan 4.420 nan 0.000 0.227 238 P C 0.463 177.564 177.300 -0.332 0.000 1.161 238 P CA 1.093 63.952 63.100 -0.402 0.000 0.788 238 P CB 0.187 31.520 31.700 -0.612 0.000 0.822 239 H N -1.308 117.769 119.070 0.011 0.000 2.488 239 H HA 0.478 5.040 4.556 0.010 0.000 0.294 239 H C -0.309 175.038 175.328 0.033 0.000 1.088 239 H CA -0.502 55.580 56.048 0.056 0.000 1.086 239 H CB 0.571 30.401 29.762 0.113 0.000 1.569 239 H HN -0.120 nan 8.280 nan 0.000 0.548 240 V N 0.681 120.575 119.914 -0.034 0.000 3.000 240 V HA 0.333 4.466 4.120 0.022 0.000 0.300 240 V C -1.683 174.316 176.094 -0.158 0.000 1.251 240 V CA -0.767 61.404 62.300 -0.214 0.000 0.972 240 V CB 2.475 33.812 31.823 -0.811 0.000 1.065 240 V HN 0.195 nan 8.190 nan 0.000 0.431 241 K N 3.269 123.593 120.400 -0.126 0.000 2.464 241 K HA 0.811 5.145 4.320 0.022 0.000 0.253 241 K C -0.013 176.538 176.600 -0.081 0.000 0.933 241 K CA 0.208 56.446 56.287 -0.082 0.000 0.801 241 K CB 2.005 34.473 32.500 -0.053 0.000 1.271 241 K HN 1.583 nan 8.250 nan 0.000 0.430 242 G N 1.273 110.037 108.800 -0.061 0.000 2.681 242 G HA2 -0.253 3.721 3.960 0.022 0.000 0.220 242 G HA3 -0.253 3.721 3.960 0.022 0.000 0.220 242 G C 0.254 175.090 174.900 -0.108 0.000 1.353 242 G CA -0.586 44.473 45.100 -0.068 0.000 0.872 242 G HN 0.368 nan 8.290 nan 0.000 0.557 243 L N 0.478 121.638 121.223 -0.105 0.000 2.081 243 L HA -0.064 4.289 4.340 0.022 0.000 0.212 243 L C 3.004 179.821 176.870 -0.087 0.000 1.080 243 L CA 2.628 57.399 54.840 -0.115 0.000 0.754 243 L CB -1.534 40.452 42.059 -0.121 0.000 0.893 243 L HN 0.769 nan 8.230 nan 0.000 0.433 244 R N -0.138 120.316 120.500 -0.076 0.000 2.140 244 R HA -0.229 4.124 4.340 0.022 0.000 0.250 244 R C 2.217 178.486 176.300 -0.052 0.000 1.150 244 R CA 1.789 57.890 56.100 0.001 0.000 0.966 244 R CB -0.490 29.793 30.300 -0.028 0.000 0.869 244 R HN 0.457 nan 8.270 nan 0.000 0.445 245 G N 0.594 109.214 108.800 -0.301 0.000 2.604 245 G HA2 -0.207 3.767 3.960 0.022 0.000 0.216 245 G HA3 -0.207 3.767 3.960 0.022 0.000 0.216 245 G C -1.021 173.506 174.900 -0.622 0.000 1.265 245 G CA 0.817 45.590 45.100 -0.545 0.000 0.804 245 G HN 0.345 nan 8.290 nan 0.000 0.579 246 P HA -0.128 nan 4.420 nan 0.000 0.216 246 P C 1.646 178.877 177.300 -0.116 0.000 1.153 246 P CA 0.872 63.542 63.100 -0.716 0.000 0.858 246 P CB -0.145 31.181 31.700 -0.625 0.000 0.789 247 F N 0.350 120.204 119.950 -0.160 0.000 2.134 247 F HA -0.180 4.360 4.527 0.021 0.000 0.299 247 F C 1.940 177.765 175.800 0.042 0.000 1.097 247 F CA 1.811 59.786 58.000 -0.041 0.000 1.264 247 F CB -1.173 37.800 39.000 -0.046 0.000 1.001 247 F HN -0.154 nan 8.300 nan 0.000 0.479 248 T N 0.148 114.729 114.554 0.045 0.000 2.720 248 T HA -0.254 4.110 4.350 0.022 0.000 0.268 248 T C 2.121 176.802 174.700 -0.031 0.000 1.037 248 T CA 1.684 63.807 62.100 0.038 0.000 1.144 248 T CB -1.143 67.967 68.868 0.403 0.000 0.864 248 T HN 0.451 nan 8.240 nan 0.000 0.444 249 C N 1.043 120.383 119.300 0.067 0.000 2.432 249 C HA 0.072 4.545 4.460 0.022 0.000 0.277 249 C C 2.727 177.644 174.990 -0.122 0.000 1.249 249 C CA 0.226 59.262 59.018 0.030 0.000 1.725 249 C CB -1.475 26.353 27.740 0.147 0.000 2.028 249 C HN 0.505 nan 8.230 nan 0.000 0.477 250 L N 1.232 122.348 121.223 -0.178 0.000 2.046 250 L HA -0.153 4.200 4.340 0.022 0.000 0.208 250 L C 2.458 179.207 176.870 -0.201 0.000 1.077 250 L CA 1.873 56.606 54.840 -0.179 0.000 0.747 250 L CB -0.865 41.126 42.059 -0.112 0.000 0.896 250 L HN 0.426 nan 8.230 nan 0.000 0.432 251 N N -0.480 117.976 118.700 -0.408 0.000 2.149 251 N HA -0.221 4.532 4.740 0.022 0.000 0.188 251 N C 2.020 177.469 175.510 -0.102 0.000 1.019 251 N CA 1.594 54.441 53.050 -0.339 0.000 0.857 251 N CB -0.028 38.115 38.487 -0.573 0.000 0.997 251 N HN 0.110 nan 8.380 nan 0.000 0.426 252 S N -0.977 114.695 115.700 -0.047 0.000 2.368 252 S HA 0.008 4.492 4.470 0.022 0.000 0.224 252 S C 1.920 176.649 174.600 0.214 0.000 1.029 252 S CA 1.158 59.431 58.200 0.123 0.000 0.988 252 S CB -0.594 62.686 63.200 0.132 0.000 0.838 252 S HN 0.525 nan 8.310 nan 0.000 0.462 253 A N 1.617 124.493 122.820 0.094 0.000 1.902 253 A HA -0.066 4.267 4.320 0.022 0.000 0.217 253 A C 2.179 179.804 177.584 0.068 0.000 1.181 253 A CA 1.388 53.479 52.037 0.089 0.000 0.623 253 A CB -0.561 18.431 19.000 -0.014 0.000 0.818 253 A HN 0.597 nan 8.150 nan 0.000 0.443 254 R N -2.189 118.332 120.500 0.035 0.000 2.120 254 R HA -0.133 4.221 4.340 0.022 0.000 0.234 254 R C 2.097 178.403 176.300 0.010 0.000 1.123 254 R CA 1.511 57.613 56.100 0.003 0.000 0.975 254 R CB -0.494 29.787 30.300 -0.031 0.000 0.866 254 R HN 0.758 nan 8.270 nan 0.000 0.446 255 Y N 0.671 120.950 120.300 -0.035 0.000 2.145 255 Y HA -0.139 4.426 4.550 0.024 0.000 0.286 255 Y C 2.312 178.201 175.900 -0.018 0.000 1.145 255 Y CA 1.779 59.869 58.100 -0.017 0.000 1.148 255 Y CB -0.499 37.957 38.460 -0.007 0.000 0.981 255 Y HN 0.018 nan 8.280 nan 0.000 0.507 256 G N 0.212 108.853 108.800 -0.265 0.000 2.421 256 G HA2 -0.183 3.790 3.960 0.022 0.000 0.217 256 G HA3 -0.183 3.790 3.960 0.022 0.000 0.217 256 G C 1.639 176.415 174.900 -0.206 0.000 1.143 256 G CA 1.013 45.822 45.100 -0.486 0.000 0.784 256 G HN 0.510 nan 8.290 nan 0.000 0.541 257 I N 1.308 121.819 120.570 -0.098 0.000 2.286 257 I HA -0.153 4.031 4.170 0.022 0.000 0.248 257 I C 3.222 179.293 176.117 -0.076 0.000 1.115 257 I CA 0.913 62.184 61.300 -0.048 0.000 1.392 257 I CB -0.105 37.889 38.000 -0.009 0.000 1.065 257 I HN 0.234 nan 8.210 nan 0.000 0.418 258 A N -0.192 122.550 122.820 -0.130 0.000 1.972 258 A HA -0.218 4.115 4.320 0.022 0.000 0.219 258 A C 1.976 179.432 177.584 -0.214 0.000 1.169 258 A CA 1.229 53.159 52.037 -0.178 0.000 0.635 258 A CB -0.865 18.006 19.000 -0.217 0.000 0.810 258 A HN 0.536 nan 8.150 nan 0.000 0.446 259 W N -0.332 120.759 121.300 -0.349 0.000 2.441 259 W HA 0.120 4.794 4.660 0.022 0.000 0.302 259 W C 2.568 178.975 176.519 -0.187 0.000 1.191 259 W CA 1.179 58.347 57.345 -0.295 0.000 1.327 259 W CB -0.634 28.581 29.460 -0.409 0.000 1.128 259 W HN 0.347 nan 8.180 nan 0.000 0.522 260 G N 0.401 109.250 108.800 0.081 0.000 2.491 260 G HA2 -0.340 3.633 3.960 0.022 0.000 0.218 260 G HA3 -0.340 3.633 3.960 0.022 0.000 0.218 260 G C 1.620 176.534 174.900 0.022 0.000 1.180 260 G CA 1.814 46.944 45.100 0.050 0.000 0.774 260 G HN 0.331 nan 8.290 nan 0.000 0.562 261 A N 0.458 123.270 122.820 -0.013 0.000 1.978 261 A HA 0.029 4.362 4.320 0.022 0.000 0.220 261 A C 2.429 179.980 177.584 -0.056 0.000 1.170 261 A CA 1.499 53.516 52.037 -0.034 0.000 0.636 261 A CB -0.381 18.592 19.000 -0.045 0.000 0.810 261 A HN 0.399 nan 8.150 nan 0.000 0.448 262 L N -0.837 120.347 121.223 -0.065 0.000 2.201 262 L HA -0.074 4.279 4.340 0.022 0.000 0.212 262 L C 2.739 179.588 176.870 -0.035 0.000 1.105 262 L CA 0.757 55.552 54.840 -0.075 0.000 0.775 262 L CB -0.711 41.273 42.059 -0.124 0.000 0.913 262 L HN 0.468 nan 8.230 nan 0.000 0.440 263 G N -0.069 108.733 108.800 0.003 0.000 2.433 263 G HA2 -0.252 3.721 3.960 0.022 0.000 0.216 263 G HA3 -0.252 3.721 3.960 0.022 0.000 0.216 263 G C 1.803 176.658 174.900 -0.075 0.000 1.186 263 G CA 0.798 45.904 45.100 0.010 0.000 0.779 263 G HN 0.441 nan 8.290 nan 0.000 0.543 264 A N 1.186 123.941 122.820 -0.109 0.000 1.902 264 A HA 0.221 4.554 4.320 0.022 0.000 0.217 264 A C 2.830 180.213 177.584 -0.336 0.000 1.181 264 A CA 2.384 54.234 52.037 -0.312 0.000 0.623 264 A CB -0.857 18.059 19.000 -0.139 0.000 0.818 264 A HN 0.838 nan 8.150 nan 0.000 0.443 265 A N -0.223 122.495 122.820 -0.170 0.000 1.883 265 A HA -0.226 4.108 4.320 0.022 0.000 0.217 265 A C 1.926 179.463 177.584 -0.079 0.000 1.186 265 A CA 1.842 53.807 52.037 -0.120 0.000 0.624 265 A CB -0.659 18.284 19.000 -0.095 0.000 0.822 265 A HN 0.632 nan 8.150 nan 0.000 0.444 266 E N -0.172 119.981 120.200 -0.077 0.000 2.085 266 E HA -0.148 4.215 4.350 0.022 0.000 0.194 266 E C 2.387 178.776 176.600 -0.352 0.000 0.994 266 E CA 1.448 57.771 56.400 -0.128 0.000 0.801 266 E CB -0.155 29.471 29.700 -0.123 0.000 0.743 266 E HN 0.616 nan 8.360 nan 0.000 0.453 267 S N 0.297 115.849 115.700 -0.247 0.000 2.353 267 S HA -0.195 4.288 4.470 0.022 0.000 0.222 267 S C 2.190 176.722 174.600 -0.113 0.000 1.035 267 S CA 1.195 59.293 58.200 -0.171 0.000 1.025 267 S CB -0.400 62.668 63.200 -0.220 0.000 0.902 267 S HN 0.422 nan 8.310 nan 0.000 0.440 268 C N 0.315 119.515 119.300 -0.167 0.000 2.411 268 C HA -0.080 4.393 4.460 0.022 0.000 0.279 268 C C 2.227 177.257 174.990 0.067 0.000 1.288 268 C CA 0.062 59.048 59.018 -0.052 0.000 1.764 268 C CB -1.496 26.199 27.740 -0.075 0.000 1.974 268 C HN 0.848 nan 8.230 nan 0.000 0.498 269 W N 1.378 122.597 121.300 -0.136 0.000 2.407 269 W HA -0.056 4.617 4.660 0.022 0.000 0.305 269 W C 2.391 178.954 176.519 0.073 0.000 1.196 269 W CA 1.627 58.936 57.345 -0.060 0.000 1.311 269 W CB -1.212 28.190 29.460 -0.095 0.000 1.135 269 W HN 0.494 nan 8.180 nan 0.000 0.514 270 H N -0.348 118.653 119.070 -0.114 0.000 2.319 270 H HA -0.182 4.387 4.556 0.023 0.000 0.299 270 H C 2.298 177.576 175.328 -0.083 0.000 1.092 270 H CA 2.037 57.958 56.048 -0.211 0.000 1.302 270 H CB -0.310 29.368 29.762 -0.139 0.000 1.373 270 H HN 0.106 nan 8.280 nan 0.000 0.497 271 I N 0.868 121.498 120.570 0.101 0.000 2.151 271 I HA -0.322 3.861 4.170 0.022 0.000 0.243 271 I C 2.857 179.001 176.117 0.045 0.000 1.080 271 I CA 1.020 62.352 61.300 0.054 0.000 1.339 271 I CB -0.371 37.641 38.000 0.020 0.000 1.039 271 I HN 0.316 nan 8.210 nan 0.000 0.409 272 A N 0.632 123.477 122.820 0.041 0.000 1.883 272 A HA -0.274 4.060 4.320 0.022 0.000 0.217 272 A C 2.482 180.128 177.584 0.102 0.000 1.186 272 A CA 1.996 54.063 52.037 0.049 0.000 0.624 272 A CB -0.726 18.318 19.000 0.074 0.000 0.822 272 A HN 0.376 nan 8.150 nan 0.000 0.444 273 R N -1.061 119.481 120.500 0.070 0.000 2.081 273 R HA -0.207 4.146 4.340 0.022 0.000 0.235 273 R C 2.379 178.660 176.300 -0.032 0.000 1.131 273 R CA 1.950 58.046 56.100 -0.008 0.000 0.960 273 R CB -0.272 29.938 30.300 -0.149 0.000 0.856 273 R HN 0.527 nan 8.270 nan 0.000 0.436 274 Q N -0.271 119.522 119.800 -0.012 0.000 2.084 274 Q HA -0.203 4.151 4.340 0.022 0.000 0.202 274 Q C 1.712 177.729 176.000 0.027 0.000 0.978 274 Q CA 1.822 57.618 55.803 -0.011 0.000 0.844 274 Q CB -0.593 28.148 28.738 0.005 0.000 0.898 274 Q HN 0.483 nan 8.270 nan 0.000 0.426 275 Y N 0.065 120.333 120.300 -0.054 0.000 2.114 275 Y HA -0.249 4.315 4.550 0.023 0.000 0.282 275 Y C 2.008 177.878 175.900 -0.050 0.000 1.165 275 Y CA 2.217 60.285 58.100 -0.053 0.000 1.148 275 Y CB -0.332 38.090 38.460 -0.065 0.000 0.972 275 Y HN 0.114 nan 8.280 nan 0.000 0.504 276 V N -2.212 117.746 119.914 0.073 0.000 2.809 276 V HA -0.141 3.992 4.120 0.022 0.000 0.256 276 V C 1.956 178.003 176.094 -0.077 0.000 1.080 276 V CA 1.299 63.592 62.300 -0.011 0.000 1.102 276 V CB -0.823 31.036 31.823 0.059 0.000 0.705 276 V HN 0.333 nan 8.190 nan 0.000 0.475 277 L N 1.218 122.393 121.223 -0.080 0.000 2.093 277 L HA 0.002 4.355 4.340 0.022 0.000 0.208 277 L C 2.218 179.023 176.870 -0.109 0.000 1.085 277 L CA 1.966 56.750 54.840 -0.093 0.000 0.755 277 L CB -0.898 41.105 42.059 -0.095 0.000 0.904 277 L HN 0.387 nan 8.230 nan 0.000 0.435 278 D N -1.542 118.770 120.400 -0.147 0.000 2.197 278 D HA -0.004 4.650 4.640 0.022 0.000 0.212 278 D C 1.077 177.253 176.300 -0.206 0.000 0.963 278 D CA 0.316 54.219 54.000 -0.162 0.000 0.864 278 D CB -0.004 40.699 40.800 -0.162 0.000 1.009 278 D HN -0.018 nan 8.370 nan 0.000 0.479 279 R N 1.233 121.535 120.500 -0.330 0.000 2.643 279 R HA 0.272 4.625 4.340 0.022 0.000 0.270 279 R C -0.127 176.058 176.300 -0.191 0.000 1.061 279 R CA 0.233 56.139 56.100 -0.322 0.000 1.107 279 R CB 0.356 30.341 30.300 -0.525 0.000 0.999 279 R HN -0.128 nan 8.270 nan 0.000 0.460 280 K N 1.221 121.529 120.400 -0.153 0.000 2.208 280 K HA 0.455 4.789 4.320 0.022 0.000 0.247 280 K C -0.996 175.521 176.600 -0.139 0.000 0.953 280 K CA -0.631 55.588 56.287 -0.113 0.000 0.837 280 K CB 1.850 34.298 32.500 -0.086 0.000 1.131 280 K HN 0.406 nan 8.250 nan 0.000 0.431 281 Q N 1.800 121.522 119.800 -0.131 0.000 2.280 281 Q HA 0.300 4.653 4.340 0.022 0.000 0.259 281 Q C -1.279 174.618 176.000 -0.172 0.000 0.964 281 Q CA -0.433 55.205 55.803 -0.276 0.000 0.844 281 Q CB 0.619 29.182 28.738 -0.291 0.000 1.334 281 Q HN 0.551 nan 8.270 nan 0.000 0.423 282 F N 2.245 122.191 119.950 -0.007 0.000 3.091 282 F HA -0.253 4.287 4.527 0.022 0.000 0.288 282 F C 1.098 176.892 175.800 -0.010 0.000 0.907 282 F CA 1.505 59.501 58.000 -0.006 0.000 1.028 282 F CB -1.902 37.096 39.000 -0.004 0.000 1.022 282 F HN 0.941 nan 8.300 nan 0.000 0.665 283 G N -1.088 107.758 108.800 0.077 0.000 2.176 283 G HA2 -0.306 3.667 3.960 0.022 0.000 0.253 283 G HA3 -0.306 3.667 3.960 0.022 0.000 0.253 283 G C 0.229 175.146 174.900 0.029 0.000 0.979 283 G CA 0.165 45.292 45.100 0.045 0.000 0.641 283 G HN 0.607 nan 8.290 nan 0.000 0.530 284 R N 1.233 121.754 120.500 0.036 0.000 2.589 284 R HA 0.642 4.996 4.340 0.022 0.000 0.293 284 R C -2.362 173.933 176.300 -0.009 0.000 0.963 284 R CA -2.125 53.989 56.100 0.023 0.000 0.905 284 R CB 1.578 31.910 30.300 0.053 0.000 1.144 284 R HN 0.069 nan 8.270 nan 0.000 0.459 285 P HA -0.044 nan 4.420 nan 0.000 0.268 285 P C 0.337 177.618 177.300 -0.033 0.000 1.204 285 P CA -0.221 62.854 63.100 -0.042 0.000 0.768 285 P CB 0.755 32.429 31.700 -0.043 0.000 0.842 286 L N 4.117 125.309 121.223 -0.051 0.000 2.187 286 L HA -0.187 4.167 4.340 0.022 0.000 0.213 286 L C 2.506 179.373 176.870 -0.005 0.000 1.100 286 L CA 1.980 56.805 54.840 -0.025 0.000 0.765 286 L CB -1.705 40.330 42.059 -0.040 0.000 0.904 286 L HN 0.479 nan 8.230 nan 0.000 0.437 287 A N -0.949 121.857 122.820 -0.022 0.000 1.978 287 A HA -0.157 4.177 4.320 0.022 0.000 0.220 287 A C 2.341 179.919 177.584 -0.010 0.000 1.170 287 A CA 1.707 53.731 52.037 -0.021 0.000 0.636 287 A CB -0.766 18.207 19.000 -0.046 0.000 0.810 287 A HN 0.458 nan 8.150 nan 0.000 0.448 288 A N -0.525 122.291 122.820 -0.006 0.000 2.169 288 A HA 0.057 4.391 4.320 0.022 0.000 0.212 288 A C 1.151 178.742 177.584 0.012 0.000 1.153 288 A CA 0.125 52.163 52.037 0.000 0.000 0.756 288 A CB -0.448 18.552 19.000 0.000 0.000 0.813 288 A HN 0.552 nan 8.150 nan 0.000 0.471 289 N N 0.426 119.139 118.700 0.021 0.000 2.458 289 N HA -0.017 4.736 4.740 0.022 0.000 0.258 289 N C 0.663 176.187 175.510 0.023 0.000 1.219 289 N CA 0.304 53.373 53.050 0.031 0.000 0.902 289 N CB 0.640 39.154 38.487 0.044 0.000 1.076 289 N HN 0.490 nan 8.380 nan 0.000 0.455 290 Q N 1.889 121.701 119.800 0.020 0.000 2.016 290 Q HA -0.147 4.207 4.340 0.022 0.000 0.200 290 Q C 1.802 177.811 176.000 0.015 0.000 0.978 290 Q CA 1.199 57.011 55.803 0.014 0.000 0.833 290 Q CB -0.060 28.684 28.738 0.010 0.000 0.895 290 Q HN 0.651 nan 8.270 nan 0.000 0.427 291 L N 0.781 122.015 121.223 0.019 0.000 2.042 291 L HA -0.210 4.143 4.340 0.022 0.000 0.210 291 L C 1.960 178.842 176.870 0.021 0.000 1.076 291 L CA 1.542 56.392 54.840 0.018 0.000 0.749 291 L CB -0.420 41.652 42.059 0.021 0.000 0.893 291 L HN 0.236 nan 8.230 nan 0.000 0.432 292 I N -0.379 120.208 120.570 0.029 0.000 2.208 292 I HA -0.312 3.872 4.170 0.022 0.000 0.245 292 I C 2.542 178.678 176.117 0.033 0.000 1.097 292 I CA 1.513 62.834 61.300 0.035 0.000 1.363 292 I CB -1.255 36.770 38.000 0.042 0.000 1.051 292 I HN 0.513 nan 8.210 nan 0.000 0.413 293 Q N 0.330 120.146 119.800 0.026 0.000 2.170 293 Q HA -0.229 4.124 4.340 0.022 0.000 0.203 293 Q C 2.244 178.258 176.000 0.024 0.000 0.976 293 Q CA 1.206 57.025 55.803 0.026 0.000 0.858 293 Q CB -0.185 28.564 28.738 0.017 0.000 0.907 293 Q HN 0.492 nan 8.270 nan 0.000 0.433 294 K N 1.646 122.055 120.400 0.014 0.000 2.026 294 K HA -0.184 4.150 4.320 0.022 0.000 0.208 294 K C 1.784 178.382 176.600 -0.003 0.000 1.048 294 K CA 1.329 57.618 56.287 0.003 0.000 0.929 294 K CB 0.104 32.603 32.500 -0.001 0.000 0.713 294 K HN 0.029 nan 8.250 nan 0.000 0.439 295 K N 0.675 121.077 120.400 0.003 0.000 2.026 295 K HA -0.094 4.240 4.320 0.022 0.000 0.208 295 K C 2.220 178.817 176.600 -0.004 0.000 1.048 295 K CA 1.397 57.681 56.287 -0.005 0.000 0.929 295 K CB -0.157 32.347 32.500 0.007 0.000 0.713 295 K HN 0.155 nan 8.250 nan 0.000 0.439 296 L N 0.479 121.726 121.223 0.041 0.000 2.083 296 L HA -0.195 4.159 4.340 0.022 0.000 0.209 296 L C 2.519 179.409 176.870 0.033 0.000 1.083 296 L CA 1.063 55.962 54.840 0.098 0.000 0.752 296 L CB -0.499 41.651 42.059 0.152 0.000 0.899 296 L HN 0.256 nan 8.230 nan 0.000 0.433 297 A N -0.597 122.232 122.820 0.014 0.000 1.968 297 A HA -0.175 4.158 4.320 0.022 0.000 0.217 297 A C 1.884 179.420 177.584 -0.080 0.000 1.169 297 A CA 1.464 53.498 52.037 -0.006 0.000 0.638 297 A CB -0.310 18.695 19.000 0.010 0.000 0.812 297 A HN 0.315 nan 8.150 nan 0.000 0.446 298 D N -0.148 120.199 120.400 -0.090 0.000 2.117 298 D HA -0.125 4.528 4.640 0.022 0.000 0.198 298 D C 2.050 178.227 176.300 -0.206 0.000 0.982 298 D CA 1.386 55.315 54.000 -0.117 0.000 0.828 298 D CB -0.337 40.411 40.800 -0.086 0.000 0.967 298 D HN 0.480 nan 8.370 nan 0.000 0.464 299 M N 0.346 119.777 119.600 -0.281 0.000 2.067 299 M HA -0.199 4.295 4.480 0.022 0.000 0.260 299 M C 2.397 178.224 176.300 -0.787 0.000 1.069 299 M CA 1.385 56.399 55.300 -0.477 0.000 1.117 299 M CB -0.390 31.896 32.600 -0.524 0.000 1.334 299 M HN -0.040 nan 8.290 nan 0.000 0.407 300 Q N -0.075 119.143 119.800 -0.971 0.000 2.077 300 Q HA -0.200 4.154 4.340 0.022 0.000 0.206 300 Q C 1.772 177.515 176.000 -0.430 0.000 0.989 300 Q CA 2.446 57.697 55.803 -0.921 0.000 0.853 300 Q CB -0.068 28.487 28.738 -0.305 0.000 0.907 300 Q HN 0.497 nan 8.270 nan 0.000 0.418 301 T N 1.034 115.431 114.554 -0.260 0.000 2.643 301 T HA -0.130 4.233 4.350 0.022 0.000 0.264 301 T C 1.552 176.152 174.700 -0.166 0.000 1.045 301 T CA 1.337 63.348 62.100 -0.149 0.000 1.155 301 T CB -0.220 68.588 68.868 -0.099 0.000 0.863 301 T HN 0.316 nan 8.240 nan 0.000 0.420 302 E N 0.857 120.942 120.200 -0.192 0.000 2.110 302 E HA -0.036 4.328 4.350 0.022 0.000 0.193 302 E C 2.243 178.733 176.600 -0.183 0.000 0.988 302 E CA 0.733 57.033 56.400 -0.167 0.000 0.804 302 E CB -0.428 29.178 29.700 -0.156 0.000 0.745 302 E HN 0.523 nan 8.360 nan 0.000 0.458 303 I N 0.810 121.233 120.570 -0.246 0.000 2.163 303 I HA -0.242 3.942 4.170 0.022 0.000 0.240 303 I C 2.311 178.329 176.117 -0.165 0.000 1.081 303 I CA 1.325 62.497 61.300 -0.214 0.000 1.353 303 I CB -0.462 37.379 38.000 -0.267 0.000 1.054 303 I HN 0.062 nan 8.210 nan 0.000 0.407 304 T N 1.471 115.930 114.554 -0.158 0.000 2.720 304 T HA -0.158 4.205 4.350 0.022 0.000 0.268 304 T C 1.907 176.551 174.700 -0.094 0.000 1.037 304 T CA 1.397 63.442 62.100 -0.092 0.000 1.144 304 T CB -0.299 68.537 68.868 -0.053 0.000 0.864 304 T HN 0.238 nan 8.240 nan 0.000 0.444 305 L N 0.359 121.520 121.223 -0.104 0.000 2.131 305 L HA 0.110 4.463 4.340 0.022 0.000 0.206 305 L C 3.073 179.865 176.870 -0.130 0.000 1.087 305 L CA 1.100 55.882 54.840 -0.098 0.000 0.767 305 L CB -1.010 40.999 42.059 -0.084 0.000 0.917 305 L HN 0.333 nan 8.230 nan 0.000 0.441 306 G N 0.495 109.202 108.800 -0.155 0.000 2.440 306 G HA2 -0.226 3.748 3.960 0.022 0.000 0.218 306 G HA3 -0.226 3.748 3.960 0.022 0.000 0.218 306 G C 1.648 176.379 174.900 -0.282 0.000 1.154 306 G CA 0.620 45.601 45.100 -0.198 0.000 0.767 306 G HN 0.206 nan 8.290 nan 0.000 0.552 307 L N -0.175 120.885 121.223 -0.272 0.000 2.046 307 L HA -0.105 4.248 4.340 0.022 0.000 0.208 307 L C 3.199 179.889 176.870 -0.301 0.000 1.077 307 L CA 0.889 55.516 54.840 -0.355 0.000 0.747 307 L CB -0.343 41.588 42.059 -0.213 0.000 0.896 307 L HN 0.142 nan 8.230 nan 0.000 0.432 308 Q N -0.066 119.628 119.800 -0.176 0.000 2.096 308 Q HA -0.155 4.199 4.340 0.022 0.000 0.204 308 Q C 2.270 178.192 176.000 -0.130 0.000 0.982 308 Q CA 1.774 57.508 55.803 -0.116 0.000 0.850 308 Q CB -0.776 27.918 28.738 -0.073 0.000 0.901 308 Q HN 0.575 nan 8.270 nan 0.000 0.422 309 G N 0.701 109.400 108.800 -0.167 0.000 2.433 309 G HA2 -0.180 3.794 3.960 0.022 0.000 0.216 309 G HA3 -0.180 3.794 3.960 0.022 0.000 0.216 309 G C 1.584 176.371 174.900 -0.188 0.000 1.186 309 G CA 1.635 46.644 45.100 -0.153 0.000 0.779 309 G HN 0.377 nan 8.290 nan 0.000 0.543 310 V N -0.632 119.055 119.914 -0.379 0.000 2.548 310 V HA -0.000 4.133 4.120 0.022 0.000 0.249 310 V C 2.595 178.568 176.094 -0.202 0.000 1.055 310 V CA 1.569 63.560 62.300 -0.514 0.000 1.065 310 V CB -0.639 30.420 31.823 -1.274 0.000 0.681 310 V HN 0.221 nan 8.190 nan 0.000 0.462 311 L N 0.996 122.107 121.223 -0.187 0.000 2.017 311 L HA -0.015 4.338 4.340 0.022 0.000 0.208 311 L C 2.646 179.628 176.870 0.187 0.000 1.073 311 L CA 2.461 57.432 54.840 0.219 0.000 0.745 311 L CB -0.914 41.237 42.059 0.153 0.000 0.894 311 L HN 0.388 nan 8.230 nan 0.000 0.432 312 R N -0.133 120.409 120.500 0.070 0.000 2.081 312 R HA -0.131 4.222 4.340 0.022 0.000 0.235 312 R C 2.266 178.614 176.300 0.080 0.000 1.131 312 R CA 1.966 58.103 56.100 0.061 0.000 0.960 312 R CB -1.144 29.166 30.300 0.016 0.000 0.856 312 R HN 0.537 nan 8.270 nan 0.000 0.436 313 L N -0.228 121.047 121.223 0.086 0.000 2.042 313 L HA -0.122 4.232 4.340 0.022 0.000 0.210 313 L C 2.031 178.996 176.870 0.158 0.000 1.076 313 L CA 2.038 56.945 54.840 0.111 0.000 0.749 313 L CB -1.030 41.119 42.059 0.151 0.000 0.893 313 L HN 0.550 nan 8.230 nan 0.000 0.432 314 G N -0.545 108.464 108.800 0.348 0.000 2.446 314 G HA2 -0.272 3.702 3.960 0.022 0.000 0.217 314 G HA3 -0.272 3.702 3.960 0.022 0.000 0.217 314 G C 1.580 176.584 174.900 0.173 0.000 1.168 314 G CA 0.293 45.609 45.100 0.360 0.000 0.771 314 G HN 0.241 nan 8.290 nan 0.000 0.551 315 R N -0.009 120.587 120.500 0.160 0.000 2.083 315 R HA 0.030 4.383 4.340 0.022 0.000 0.237 315 R C 2.698 179.036 176.300 0.063 0.000 1.137 315 R CA 1.249 57.412 56.100 0.105 0.000 0.951 315 R CB -0.825 29.527 30.300 0.088 0.000 0.851 315 R HN 0.435 nan 8.270 nan 0.000 0.434 316 M N 0.357 119.981 119.600 0.040 0.000 2.229 316 M HA -0.134 4.360 4.480 0.022 0.000 0.264 316 M C 2.102 178.391 176.300 -0.019 0.000 1.063 316 M CA 1.600 56.906 55.300 0.011 0.000 1.114 316 M CB -0.221 32.381 32.600 0.003 0.000 1.387 316 M HN 0.033 nan 8.290 nan 0.000 0.420 317 K N 0.240 120.592 120.400 -0.080 0.000 2.057 317 K HA -0.128 4.205 4.320 0.022 0.000 0.206 317 K C 1.550 178.165 176.600 0.025 0.000 1.050 317 K CA 1.188 57.364 56.287 -0.185 0.000 0.935 317 K CB -0.100 32.022 32.500 -0.630 0.000 0.715 317 K HN 0.211 nan 8.250 nan 0.000 0.439 318 D N 1.072 121.552 120.400 0.134 0.000 2.149 318 D HA -0.174 4.479 4.640 0.022 0.000 0.198 318 D C 1.420 177.778 176.300 0.098 0.000 0.990 318 D CA 1.276 55.382 54.000 0.177 0.000 0.839 318 D CB -0.014 40.868 40.800 0.137 0.000 0.948 318 D HN 0.501 nan 8.370 nan 0.000 0.460 319 E N -0.309 119.929 120.200 0.064 0.000 2.465 319 E HA 0.214 4.577 4.350 0.022 0.000 0.191 319 E C 1.063 177.687 176.600 0.039 0.000 1.053 319 E CA 0.448 56.875 56.400 0.046 0.000 0.869 319 E CB -0.088 29.634 29.700 0.037 0.000 0.977 319 E HN 0.085 nan 8.360 nan 0.000 0.483 320 G N 1.964 110.788 108.800 0.040 0.000 2.258 320 G HA2 -0.370 3.604 3.960 0.022 0.000 0.274 320 G HA3 -0.370 3.604 3.960 0.022 0.000 0.274 320 G C 0.813 175.724 174.900 0.018 0.000 1.021 320 G CA 1.020 46.139 45.100 0.030 0.000 0.798 320 G HN 0.515 nan 8.290 nan 0.000 0.507 321 T N -3.473 111.088 114.554 0.011 0.000 3.069 321 T HA 0.652 5.016 4.350 0.022 0.000 0.252 321 T C 1.011 175.713 174.700 0.003 0.000 1.053 321 T CA 1.009 63.115 62.100 0.010 0.000 0.964 321 T CB 0.884 69.760 68.868 0.013 0.000 1.005 321 T HN 1.519 nan 8.240 nan 0.000 0.532 322 A N 1.380 124.193 122.820 -0.013 0.000 2.276 322 A HA 0.825 5.158 4.320 0.022 0.000 0.300 322 A C 0.583 178.163 177.584 -0.007 0.000 1.235 322 A CA -0.674 51.351 52.037 -0.021 0.000 0.867 322 A CB 0.096 19.059 19.000 -0.063 0.000 1.137 322 A HN 0.670 nan 8.150 nan 0.000 0.527 323 A N 2.294 125.121 122.820 0.012 0.000 2.322 323 A HA 0.474 4.808 4.320 0.022 0.000 0.269 323 A C 1.306 178.919 177.584 0.050 0.000 1.094 323 A CA -0.240 51.818 52.037 0.035 0.000 0.807 323 A CB 0.240 19.264 19.000 0.039 0.000 1.047 323 A HN 1.192 nan 8.150 nan 0.000 0.487 324 V N 1.339 121.311 119.914 0.097 0.000 2.527 324 V HA -0.259 3.874 4.120 0.022 0.000 0.255 324 V C 2.279 178.461 176.094 0.147 0.000 1.081 324 V CA 2.672 65.067 62.300 0.160 0.000 1.092 324 V CB -1.018 31.005 31.823 0.333 0.000 0.673 324 V HN 0.987 nan 8.190 nan 0.000 0.470 325 E N -0.114 120.154 120.200 0.113 0.000 2.150 325 E HA -0.113 4.250 4.350 0.022 0.000 0.193 325 E C 1.935 178.570 176.600 0.060 0.000 0.985 325 E CA 1.006 57.464 56.400 0.097 0.000 0.814 325 E CB -0.294 29.450 29.700 0.073 0.000 0.752 325 E HN 0.632 nan 8.360 nan 0.000 0.466 326 I N 0.587 121.180 120.570 0.038 0.000 2.454 326 I HA -0.240 3.943 4.170 0.022 0.000 0.254 326 I C 1.842 177.961 176.117 0.004 0.000 1.156 326 I CA 1.100 62.408 61.300 0.014 0.000 1.433 326 I CB -0.496 37.509 38.000 0.008 0.000 1.082 326 I HN 0.084 nan 8.210 nan 0.000 0.432 327 T N -0.093 114.471 114.554 0.018 0.000 2.746 327 T HA -0.149 4.215 4.350 0.022 0.000 0.267 327 T C 2.185 176.844 174.700 -0.069 0.000 1.039 327 T CA 1.661 63.761 62.100 0.000 0.000 1.142 327 T CB -0.185 68.692 68.868 0.015 0.000 0.866 327 T HN 0.264 nan 8.240 nan 0.000 0.444 328 S N 1.000 116.686 115.700 -0.023 0.000 2.370 328 S HA -0.056 4.428 4.470 0.022 0.000 0.226 328 S C 2.025 176.555 174.600 -0.118 0.000 1.033 328 S CA 0.986 59.146 58.200 -0.066 0.000 1.011 328 S CB -0.475 62.827 63.200 0.169 0.000 0.852 328 S HN 0.435 nan 8.310 nan 0.000 0.457 329 I N 1.071 121.605 120.570 -0.060 0.000 2.127 329 I HA -0.226 3.957 4.170 0.022 0.000 0.241 329 I C 2.249 178.299 176.117 -0.112 0.000 1.075 329 I CA 1.158 62.415 61.300 -0.072 0.000 1.334 329 I CB -0.358 37.614 38.000 -0.047 0.000 1.040 329 I HN 0.324 nan 8.210 nan 0.000 0.405 330 M N -0.078 119.453 119.600 -0.116 0.000 2.334 330 M HA -0.063 4.430 4.480 0.022 0.000 0.266 330 M C 2.161 178.360 176.300 -0.168 0.000 1.082 330 M CA 1.224 56.441 55.300 -0.139 0.000 1.141 330 M CB -1.041 31.480 32.600 -0.132 0.000 1.380 330 M HN 0.149 nan 8.290 nan 0.000 0.440 331 K N 0.940 121.221 120.400 -0.199 0.000 2.001 331 K HA -0.128 4.205 4.320 0.022 0.000 0.208 331 K C 2.149 178.626 176.600 -0.205 0.000 1.048 331 K CA 1.253 57.404 56.287 -0.227 0.000 0.932 331 K CB -0.206 32.088 32.500 -0.343 0.000 0.715 331 K HN 0.222 nan 8.250 nan 0.000 0.437 332 R N 0.714 121.056 120.500 -0.264 0.000 2.083 332 R HA -0.190 4.163 4.340 0.022 0.000 0.237 332 R C 2.155 178.391 176.300 -0.107 0.000 1.137 332 R CA 2.219 58.178 56.100 -0.235 0.000 0.951 332 R CB -0.327 29.787 30.300 -0.310 0.000 0.851 332 R HN 0.227 nan 8.270 nan 0.000 0.434 333 N N -0.359 118.280 118.700 -0.102 0.000 2.084 333 N HA -0.114 4.640 4.740 0.022 0.000 0.190 333 N C 1.594 177.075 175.510 -0.049 0.000 1.030 333 N CA 2.079 55.099 53.050 -0.051 0.000 0.849 333 N CB -0.086 38.353 38.487 -0.080 0.000 1.012 333 N HN 0.072 nan 8.380 nan 0.000 0.423 334 S N -0.707 114.936 115.700 -0.095 0.000 2.359 334 S HA -0.152 4.332 4.470 0.022 0.000 0.224 334 S C 2.230 176.796 174.600 -0.057 0.000 1.035 334 S CA 1.242 59.380 58.200 -0.104 0.000 1.018 334 S CB -0.576 62.535 63.200 -0.148 0.000 0.876 334 S HN 0.543 nan 8.310 nan 0.000 0.448 335 C N 1.243 120.530 119.300 -0.022 0.000 2.462 335 C HA 0.051 4.524 4.460 0.022 0.000 0.278 335 C C 3.002 178.016 174.990 0.041 0.000 1.253 335 C CA 0.373 59.400 59.018 0.016 0.000 1.713 335 C CB -1.779 25.990 27.740 0.049 0.000 2.049 335 C HN 0.712 nan 8.230 nan 0.000 0.477 336 G N 0.888 109.766 108.800 0.130 0.000 2.491 336 G HA2 -0.229 3.744 3.960 0.022 0.000 0.218 336 G HA3 -0.229 3.744 3.960 0.022 0.000 0.218 336 G C 1.689 176.581 174.900 -0.014 0.000 1.180 336 G CA 0.934 46.078 45.100 0.073 0.000 0.774 336 G HN 0.444 nan 8.290 nan 0.000 0.562 337 K N 0.886 121.280 120.400 -0.010 0.000 2.097 337 K HA 0.119 4.453 4.320 0.022 0.000 0.205 337 K C 2.895 179.453 176.600 -0.071 0.000 1.050 337 K CA 1.094 57.349 56.287 -0.053 0.000 0.938 337 K CB -0.793 31.664 32.500 -0.071 0.000 0.718 337 K HN 0.274 nan 8.250 nan 0.000 0.442 338 A N 1.575 124.356 122.820 -0.066 0.000 1.902 338 A HA -0.158 4.176 4.320 0.022 0.000 0.217 338 A C 2.214 179.761 177.584 -0.063 0.000 1.181 338 A CA 1.282 53.276 52.037 -0.071 0.000 0.623 338 A CB -0.598 18.363 19.000 -0.065 0.000 0.818 338 A HN 0.209 nan 8.150 nan 0.000 0.443 339 L N 0.339 121.530 121.223 -0.053 0.000 2.017 339 L HA -0.181 4.173 4.340 0.022 0.000 0.208 339 L C 1.697 178.530 176.870 -0.061 0.000 1.073 339 L CA 2.568 57.375 54.840 -0.054 0.000 0.745 339 L CB -0.844 41.180 42.059 -0.058 0.000 0.894 339 L HN 0.372 nan 8.230 nan 0.000 0.432 340 D N -0.243 120.115 120.400 -0.070 0.000 2.104 340 D HA -0.231 4.423 4.640 0.022 0.000 0.194 340 D C 2.337 178.599 176.300 -0.064 0.000 0.994 340 D CA 2.036 55.995 54.000 -0.068 0.000 0.830 340 D CB -0.219 40.538 40.800 -0.071 0.000 0.959 340 D HN 0.446 nan 8.370 nan 0.000 0.452 341 I N 1.222 121.749 120.570 -0.072 0.000 2.226 341 I HA -0.263 3.920 4.170 0.022 0.000 0.245 341 I C 2.525 178.610 176.117 -0.054 0.000 1.100 341 I CA 1.070 62.328 61.300 -0.070 0.000 1.374 341 I CB -0.208 37.740 38.000 -0.087 0.000 1.057 341 I HN -0.075 nan 8.210 nan 0.000 0.413 342 A N 0.807 123.594 122.820 -0.055 0.000 1.908 342 A HA -0.228 4.106 4.320 0.022 0.000 0.218 342 A C 2.388 179.945 177.584 -0.046 0.000 1.181 342 A CA 1.650 53.659 52.037 -0.046 0.000 0.627 342 A CB -0.591 18.389 19.000 -0.035 0.000 0.818 342 A HN 0.329 nan 8.150 nan 0.000 0.445 343 R N -1.424 119.049 120.500 -0.045 0.000 2.092 343 R HA -0.044 4.309 4.340 0.022 0.000 0.231 343 R C 1.982 178.255 176.300 -0.045 0.000 1.119 343 R CA 1.126 57.201 56.100 -0.042 0.000 0.970 343 R CB -0.413 29.863 30.300 -0.041 0.000 0.864 343 R HN 0.421 nan 8.270 nan 0.000 0.440 344 L N 0.520 121.716 121.223 -0.046 0.000 2.027 344 L HA -0.070 4.283 4.340 0.022 0.000 0.206 344 L C 2.310 179.151 176.870 -0.049 0.000 1.074 344 L CA 1.848 56.663 54.840 -0.042 0.000 0.745 344 L CB -0.803 41.232 42.059 -0.040 0.000 0.898 344 L HN 0.128 nan 8.230 nan 0.000 0.433 345 A N -0.670 122.117 122.820 -0.055 0.000 1.902 345 A HA -0.266 4.067 4.320 0.022 0.000 0.217 345 A C 2.439 179.932 177.584 -0.151 0.000 1.181 345 A CA 1.875 53.860 52.037 -0.086 0.000 0.623 345 A CB -0.545 18.414 19.000 -0.069 0.000 0.818 345 A HN 0.410 nan 8.150 nan 0.000 0.443 346 R N 0.428 120.855 120.500 -0.122 0.000 2.081 346 R HA -0.125 4.229 4.340 0.022 0.000 0.235 346 R C 1.142 177.377 176.300 -0.108 0.000 1.131 346 R CA 2.054 58.076 56.100 -0.130 0.000 0.960 346 R CB -0.598 29.666 30.300 -0.060 0.000 0.856 346 R HN 0.441 nan 8.270 nan 0.000 0.436 347 D N -0.189 120.169 120.400 -0.070 0.000 2.264 347 D HA -0.117 4.536 4.640 0.022 0.000 0.208 347 D C 1.599 177.866 176.300 -0.055 0.000 0.966 347 D CA 1.202 55.175 54.000 -0.044 0.000 0.864 347 D CB -0.059 40.725 40.800 -0.026 0.000 0.933 347 D HN 0.381 nan 8.370 nan 0.000 0.499 348 M N -0.167 119.376 119.600 -0.095 0.000 2.447 348 M HA 0.059 4.552 4.480 0.022 0.000 0.264 348 M C 0.322 176.516 176.300 -0.176 0.000 1.095 348 M CA 0.468 55.714 55.300 -0.090 0.000 1.125 348 M CB 0.242 32.797 32.600 -0.075 0.000 1.389 348 M HN -0.136 nan 8.290 nan 0.000 0.459 349 L N -0.617 120.403 121.223 -0.339 0.000 2.312 349 L HA 0.471 4.824 4.340 0.022 0.000 0.281 349 L C 1.071 177.883 176.870 -0.098 0.000 1.070 349 L CA -0.910 53.633 54.840 -0.495 0.000 0.805 349 L CB 0.659 42.205 42.059 -0.855 0.000 1.174 349 L HN 0.045 nan 8.230 nan 0.000 0.434 350 G N 1.286 110.135 108.800 0.082 0.000 3.048 350 G HA2 0.455 4.428 3.960 0.022 0.000 0.151 350 G HA3 0.455 4.428 3.960 0.022 0.000 0.151 350 G C 0.590 175.679 174.900 0.315 0.000 1.803 350 G CA 0.116 45.316 45.100 0.167 0.000 1.047 350 G HN 1.029 nan 8.290 nan 0.000 0.513 351 G N -0.083 108.887 108.800 0.283 0.000 2.574 351 G HA2 -0.098 3.875 3.960 0.022 0.000 0.295 351 G HA3 -0.098 3.875 3.960 0.022 0.000 0.295 351 G C 0.147 175.079 174.900 0.055 0.000 1.300 351 G CA 0.841 46.099 45.100 0.264 0.000 0.944 351 G HN 1.659 nan 8.290 nan 0.000 0.551 352 N N 0.110 118.521 118.700 -0.482 0.000 3.771 352 N HA 0.611 5.364 4.740 0.022 0.000 0.143 352 N C 0.086 175.038 175.510 -0.929 0.000 1.391 352 N CA 1.833 54.448 53.050 -0.725 0.000 1.233 352 N CB -0.059 38.268 38.487 -0.267 0.000 1.721 352 N HN 2.590 nan 8.380 nan 0.000 0.698 356 D N 1.338 121.830 120.400 0.152 0.000 2.263 356 D HA -0.187 4.466 4.640 0.022 0.000 0.193 356 D C 1.434 177.765 176.300 0.052 0.000 1.013 356 D CA 2.044 56.095 54.000 0.086 0.000 0.892 356 D CB -0.203 40.637 40.800 0.066 0.000 0.909 356 D HN 0.503 nan 8.370 nan 0.000 0.449 357 E N -0.832 119.384 120.200 0.027 0.000 2.208 357 E HA -0.070 4.294 4.350 0.022 0.000 0.193 357 E C 1.423 177.828 176.600 -0.326 0.000 0.988 357 E CA 0.339 56.635 56.400 -0.174 0.000 0.828 357 E CB -0.203 29.310 29.700 -0.311 0.000 0.763 357 E HN 0.351 nan 8.360 nan 0.000 0.478 358 F N 0.198 120.119 119.950 -0.048 0.000 2.795 358 F HA 0.163 4.703 4.527 0.022 0.000 0.303 358 F C 2.038 177.779 175.800 -0.099 0.000 1.186 358 F CA 0.195 58.155 58.000 -0.066 0.000 1.415 358 F CB -0.138 38.832 39.000 -0.049 0.000 1.106 358 F HN 0.044 nan 8.300 nan 0.000 0.558 359 G N -0.024 108.772 108.800 -0.008 0.000 2.432 359 G HA2 -0.193 3.781 3.960 0.022 0.000 0.219 359 G HA3 -0.193 3.781 3.960 0.022 0.000 0.219 359 G C 1.822 176.665 174.900 -0.096 0.000 1.135 359 G CA 0.932 45.970 45.100 -0.103 0.000 0.767 359 G HN 0.269 nan 8.290 nan 0.000 0.550 360 V N 1.421 121.304 119.914 -0.053 0.000 2.332 360 V HA -0.177 3.956 4.120 0.022 0.000 0.248 360 V C 3.303 179.375 176.094 -0.036 0.000 1.055 360 V CA 2.055 64.339 62.300 -0.026 0.000 1.038 360 V CB -0.736 31.007 31.823 -0.133 0.000 0.651 360 V HN 0.475 nan 8.190 nan 0.000 0.450 361 A N -0.249 122.550 122.820 -0.035 0.000 1.972 361 A HA -0.243 4.091 4.320 0.022 0.000 0.219 361 A C 2.380 179.910 177.584 -0.091 0.000 1.169 361 A CA 1.953 53.992 52.037 0.003 0.000 0.635 361 A CB -0.529 18.547 19.000 0.126 0.000 0.810 361 A HN 0.525 nan 8.150 nan 0.000 0.446 362 R N -1.165 119.176 120.500 -0.265 0.000 2.062 362 R HA -0.172 4.182 4.340 0.022 0.000 0.231 362 R C 2.019 178.069 176.300 -0.417 0.000 1.136 362 R CA 1.911 57.628 56.100 -0.638 0.000 0.948 362 R CB -0.498 29.222 30.300 -0.967 0.000 0.845 362 R HN 0.708 nan 8.270 nan 0.000 0.430 363 H N -0.369 118.557 119.070 -0.240 0.000 2.387 363 H HA -0.148 4.421 4.556 0.022 0.000 0.299 363 H C 1.847 177.112 175.328 -0.105 0.000 1.099 363 H CA 1.369 57.326 56.048 -0.151 0.000 1.315 363 H CB 0.118 29.812 29.762 -0.112 0.000 1.380 363 H HN 0.136 nan 8.280 nan 0.000 0.513 364 L N 0.840 122.078 121.223 0.025 0.000 1.976 364 L HA -0.138 4.216 4.340 0.022 0.000 0.209 364 L C 2.439 179.307 176.870 -0.003 0.000 1.071 364 L CA 1.553 56.394 54.840 0.002 0.000 0.746 364 L CB -0.840 41.217 42.059 -0.004 0.000 0.890 364 L HN 0.289 nan 8.230 nan 0.000 0.432 365 V N -2.617 117.301 119.914 0.005 0.000 2.515 365 V HA -0.221 3.912 4.120 0.022 0.000 0.250 365 V C 2.110 178.215 176.094 0.018 0.000 1.058 365 V CA 2.023 64.341 62.300 0.031 0.000 1.064 365 V CB -1.456 30.430 31.823 0.105 0.000 0.675 365 V HN 0.559 nan 8.190 nan 0.000 0.461 366 N N 0.985 119.696 118.700 0.019 0.000 2.043 366 N HA -0.089 4.664 4.740 0.022 0.000 0.193 366 N C 1.853 177.345 175.510 -0.030 0.000 1.037 366 N CA 1.809 54.863 53.050 0.007 0.000 0.851 366 N CB -0.352 38.138 38.487 0.005 0.000 1.027 366 N HN 0.424 nan 8.380 nan 0.000 0.422 367 L N 1.103 122.317 121.223 -0.015 0.000 2.201 367 L HA -0.118 4.236 4.340 0.022 0.000 0.212 367 L C 2.012 178.854 176.870 -0.047 0.000 1.105 367 L CA 0.982 55.807 54.840 -0.025 0.000 0.775 367 L CB -0.259 41.790 42.059 -0.017 0.000 0.913 367 L HN 0.227 nan 8.230 nan 0.000 0.440 368 E N -0.476 119.692 120.200 -0.054 0.000 2.106 368 E HA -0.171 4.192 4.350 0.022 0.000 0.192 368 E C 2.240 178.768 176.600 -0.120 0.000 0.984 368 E CA 1.134 57.493 56.400 -0.068 0.000 0.806 368 E CB 0.060 29.727 29.700 -0.054 0.000 0.750 368 E HN 0.280 nan 8.360 nan 0.000 0.458 369 V N 0.468 120.268 119.914 -0.189 0.000 2.323 369 V HA -0.200 3.934 4.120 0.022 0.000 0.244 369 V C 2.290 178.166 176.094 -0.363 0.000 1.041 369 V CA 1.113 63.176 62.300 -0.396 0.000 1.025 369 V CB -0.305 31.210 31.823 -0.515 0.000 0.656 369 V HN 0.126 nan 8.190 nan 0.000 0.451 370 V N 0.832 120.631 119.914 -0.190 0.000 2.287 370 V HA -0.316 3.818 4.120 0.022 0.000 0.248 370 V C 2.387 178.490 176.094 0.014 0.000 1.053 370 V CA 2.532 64.794 62.300 -0.065 0.000 1.027 370 V CB -1.060 30.748 31.823 -0.024 0.000 0.646 370 V HN 0.616 nan 8.190 nan 0.000 0.447 371 N N -0.189 118.516 118.700 0.008 0.000 2.258 371 N HA -0.168 4.586 4.740 0.022 0.000 0.187 371 N C 1.685 177.260 175.510 0.109 0.000 1.012 371 N CA 1.969 55.059 53.050 0.066 0.000 0.870 371 N CB -0.210 38.297 38.487 0.034 0.000 0.977 371 N HN 0.459 nan 8.380 nan 0.000 0.434 372 T N -0.440 114.157 114.554 0.070 0.000 3.057 372 T HA 0.091 4.455 4.350 0.022 0.000 0.254 372 T C -0.442 174.461 174.700 0.338 0.000 1.094 372 T CA 0.204 62.387 62.100 0.137 0.000 1.088 372 T CB 0.030 68.925 68.868 0.046 0.000 0.934 372 T HN 0.050 nan 8.240 nan 0.000 0.497 373 Y N 1.861 122.179 120.300 0.029 0.000 2.488 373 Y HA 0.346 4.910 4.550 0.023 0.000 0.325 373 Y C 0.561 176.510 175.900 0.081 0.000 1.204 373 Y CA -2.358 55.766 58.100 0.040 0.000 1.229 373 Y CB 0.682 39.156 38.460 0.023 0.000 1.274 373 Y HN 0.162 nan 8.280 nan 0.000 0.493 374 E N -0.291 120.026 120.200 0.195 0.000 2.228 374 E HA -0.177 4.186 4.350 0.022 0.000 0.213 374 E C 0.242 176.994 176.600 0.253 0.000 1.282 374 E CA 1.024 57.522 56.400 0.163 0.000 0.707 374 E CB -2.192 27.587 29.700 0.132 0.000 1.150 374 E HN 1.123 nan 8.360 nan 0.000 0.362 375 G N -0.064 108.839 108.800 0.172 0.000 3.307 375 G HA2 -0.028 3.945 3.960 0.022 0.000 0.686 375 G HA3 -0.028 3.945 3.960 0.022 0.000 0.686 375 G C 0.269 175.267 174.900 0.163 0.000 0.983 375 G CA 0.170 45.308 45.100 0.063 0.000 0.804 375 G HN 1.055 nan 8.290 nan 0.000 0.531 376 T N 0.214 114.824 114.554 0.094 0.000 2.748 376 T HA 0.308 4.672 4.350 0.022 0.000 0.304 376 T C 1.410 176.241 174.700 0.218 0.000 1.041 376 T CA 1.047 63.243 62.100 0.159 0.000 1.033 376 T CB 0.985 69.926 68.868 0.121 0.000 0.995 376 T HN 0.919 nan 8.240 nan 0.000 0.536 377 H N 0.586 119.733 119.070 0.129 0.000 2.289 377 H HA -0.119 4.451 4.556 0.023 0.000 0.294 377 H C 1.786 177.175 175.328 0.102 0.000 1.095 377 H CA 2.796 58.915 56.048 0.119 0.000 1.256 377 H CB -0.242 29.558 29.762 0.062 0.000 1.359 377 H HN 0.721 nan 8.280 nan 0.000 0.487 378 D N -0.206 120.297 120.400 0.172 0.000 2.117 378 D HA -0.136 4.518 4.640 0.022 0.000 0.197 378 D C 2.424 178.747 176.300 0.037 0.000 0.987 378 D CA 1.155 55.207 54.000 0.086 0.000 0.829 378 D CB -0.352 40.495 40.800 0.079 0.000 0.961 378 D HN 0.417 nan 8.370 nan 0.000 0.460 379 I N 0.918 121.510 120.570 0.037 0.000 2.208 379 I HA -0.275 3.908 4.170 0.022 0.000 0.245 379 I C 2.291 178.395 176.117 -0.023 0.000 1.097 379 I CA 1.185 62.506 61.300 0.035 0.000 1.363 379 I CB -0.096 37.893 38.000 -0.018 0.000 1.051 379 I HN 0.125 nan 8.210 nan 0.000 0.413 380 H N -0.044 119.071 119.070 0.075 0.000 2.457 380 H HA 0.000 4.569 4.556 0.022 0.000 0.294 380 H C 2.287 177.604 175.328 -0.019 0.000 1.064 380 H CA 1.304 57.370 56.048 0.030 0.000 1.330 380 H CB -0.252 29.490 29.762 -0.033 0.000 1.395 380 H HN 0.392 nan 8.280 nan 0.000 0.541 381 A N 1.161 123.995 122.820 0.025 0.000 1.898 381 A HA -0.085 4.249 4.320 0.022 0.000 0.216 381 A C 2.613 180.159 177.584 -0.064 0.000 1.181 381 A CA 0.890 52.910 52.037 -0.028 0.000 0.620 381 A CB -0.728 18.252 19.000 -0.033 0.000 0.819 381 A HN 0.274 nan 8.150 nan 0.000 0.442 382 L N -0.694 120.458 121.223 -0.117 0.000 2.217 382 L HA -0.076 4.278 4.340 0.022 0.000 0.211 382 L C 2.328 179.043 176.870 -0.259 0.000 1.107 382 L CA 0.681 55.312 54.840 -0.348 0.000 0.783 382 L CB -0.487 41.159 42.059 -0.688 0.000 0.919 382 L HN 0.354 nan 8.230 nan 0.000 0.442 383 I N -0.089 120.540 120.570 0.098 0.000 2.226 383 I HA -0.303 3.881 4.170 0.022 0.000 0.245 383 I C 2.372 178.546 176.117 0.096 0.000 1.100 383 I CA 1.391 62.836 61.300 0.242 0.000 1.374 383 I CB -0.177 37.991 38.000 0.280 0.000 1.057 383 I HN 0.220 nan 8.210 nan 0.000 0.413 384 L N 0.162 121.414 121.223 0.048 0.000 2.072 384 L HA -0.072 4.281 4.340 0.022 0.000 0.205 384 L C 2.682 179.541 176.870 -0.019 0.000 1.079 384 L CA 1.416 56.266 54.840 0.018 0.000 0.752 384 L CB -1.063 41.001 42.059 0.008 0.000 0.906 384 L HN 0.293 nan 8.230 nan 0.000 0.436 385 G N -0.467 108.297 108.800 -0.061 0.000 2.422 385 G HA2 -0.252 3.721 3.960 0.022 0.000 0.218 385 G HA3 -0.252 3.721 3.960 0.022 0.000 0.218 385 G C 1.771 176.622 174.900 -0.083 0.000 1.146 385 G CA 0.376 45.425 45.100 -0.085 0.000 0.769 385 G HN 0.197 nan 8.290 nan 0.000 0.547 386 R N 0.484 120.929 120.500 -0.090 0.000 2.075 386 R HA 0.034 4.387 4.340 0.022 0.000 0.232 386 R C 2.833 179.126 176.300 -0.012 0.000 1.126 386 R CA 1.313 57.381 56.100 -0.053 0.000 0.963 386 R CB -0.331 29.972 30.300 0.005 0.000 0.858 386 R HN 0.294 nan 8.270 nan 0.000 0.435 387 A N 0.438 123.263 122.820 0.007 0.000 2.015 387 A HA -0.153 4.180 4.320 0.022 0.000 0.219 387 A C 1.925 179.508 177.584 -0.002 0.000 1.163 387 A CA 1.060 53.105 52.037 0.012 0.000 0.646 387 A CB -0.222 18.794 19.000 0.027 0.000 0.806 387 A HN 0.440 nan 8.150 nan 0.000 0.448 388 Q N -1.207 118.585 119.800 -0.013 0.000 2.269 388 Q HA -0.067 4.287 4.340 0.022 0.000 0.201 388 Q C 1.971 177.959 176.000 -0.021 0.000 0.946 388 Q CA 1.612 57.405 55.803 -0.017 0.000 0.877 388 Q CB 0.084 28.809 28.738 -0.022 0.000 0.963 388 Q HN 0.856 nan 8.270 nan 0.000 0.472 389 T N -5.645 108.892 114.554 -0.028 0.000 2.971 389 T HA 0.277 4.641 4.350 0.022 0.000 0.252 389 T C 1.427 176.110 174.700 -0.028 0.000 1.022 389 T CA 0.568 62.649 62.100 -0.032 0.000 0.980 389 T CB 0.828 69.668 68.868 -0.046 0.000 1.044 389 T HN 0.326 nan 8.240 nan 0.000 0.501 390 G N 1.830 110.615 108.800 -0.024 0.000 2.189 390 G HA2 -0.240 3.734 3.960 0.022 0.000 0.267 390 G HA3 -0.240 3.734 3.960 0.022 0.000 0.267 390 G C 0.026 174.909 174.900 -0.029 0.000 0.975 390 G CA 0.488 45.576 45.100 -0.020 0.000 0.644 390 G HN 0.693 nan 8.290 nan 0.000 0.537 391 I N 1.287 121.829 120.570 -0.046 0.000 2.321 391 I HA 0.301 4.484 4.170 0.022 0.000 0.291 391 I C 0.614 176.671 176.117 -0.099 0.000 0.998 391 I CA -0.819 60.442 61.300 -0.066 0.000 1.227 391 I CB 1.672 39.630 38.000 -0.070 0.000 1.368 391 I HN 0.112 nan 8.210 nan 0.000 0.466 392 Q N 6.029 125.769 119.800 -0.101 0.000 2.332 392 Q HA 0.278 4.632 4.340 0.022 0.000 0.263 392 Q C -0.164 175.682 176.000 -0.258 0.000 0.979 392 Q CA 0.023 55.745 55.803 -0.135 0.000 0.885 392 Q CB 1.663 30.360 28.738 -0.068 0.000 1.218 392 Q HN 0.846 nan 8.270 nan 0.000 0.405 393 A N 4.329 126.903 122.820 -0.410 0.000 2.571 393 A HA 0.217 4.551 4.320 0.022 0.000 0.274 393 A C 0.606 177.959 177.584 -0.386 0.000 1.196 393 A CA -0.419 51.394 52.037 -0.374 0.000 0.957 393 A CB 0.018 18.827 19.000 -0.317 0.000 1.150 393 A HN 0.707 nan 8.150 nan 0.000 0.539 394 F N 0.354 120.151 119.950 -0.255 0.000 2.171 394 F HA 0.097 4.638 4.527 0.024 0.000 0.300 394 F C 0.910 176.721 175.800 0.018 0.000 1.090 394 F CA 1.347 59.277 58.000 -0.117 0.000 1.293 394 F CB -0.318 38.656 39.000 -0.042 0.000 1.013 394 F HN 0.434 nan 8.300 nan 0.000 0.486 395 F N 0.000 120.044 119.950 0.157 0.000 2.286 395 F HA 0.000 4.540 4.527 0.022 0.000 0.279 395 F CA 0.000 58.052 58.000 0.087 0.000 1.383 395 F CB 0.000 39.049 39.000 0.082 0.000 1.145 395 F HN 0.000 nan 8.300 nan 0.000 0.574