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 3d6b_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 XXXXXXMVTR DATA SEQUENCE ARKVPGGYSL SGSKMWITNS PIADVFVVWA KLDEDXXXEI RGFILEKGCK DATA SEQUENCE GLSAPAIHGK VGLRASITGE IVLDEAFVPE ENILPHVKGL RGPFTCLNSA DATA SEQUENCE RYGIAWGALG AAESCWHIAR QYVLDRKQFG RPLAANQLIQ KKLADMQTEI DATA SEQUENCE TLGLQGVLRL GRMKDEGTAA VEITSIMKRN SCGKALDIAR LARDMLGGNG DATA SEQUENCE ISDEFGVARH LVNLEVVNTY XXXXXIHALI LGRAQTGIQA 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 0.000 177.654 177.584 0.117 0.000 1.274 4 A CA 0.000 52.090 52.037 0.089 0.000 0.836 4 A CB 0.000 19.040 19.000 0.066 0.000 0.831 5 T N 0.794 115.438 114.554 0.150 0.000 2.794 5 T HA 0.549 4.910 4.350 0.017 0.000 0.280 5 T C -0.722 174.133 174.700 0.259 0.000 0.987 5 T CA -0.205 61.984 62.100 0.148 0.000 0.993 5 T CB 0.722 69.620 68.868 0.050 0.000 0.939 5 T HN 0.317 nan 8.240 nan 0.000 0.449 6 F N 3.618 123.615 119.950 0.080 0.000 2.495 6 F HA 0.222 4.759 4.527 0.017 0.000 0.365 6 F C 0.277 176.118 175.800 0.069 0.000 1.090 6 F CA -0.312 57.768 58.000 0.134 0.000 1.235 6 F CB 0.369 39.439 39.000 0.117 0.000 1.119 6 F HN 0.612 nan 8.300 nan 0.000 0.562 7 H N 7.327 126.055 119.070 -0.570 0.000 2.690 7 H HA 0.067 4.633 4.556 0.017 0.000 0.280 7 H C 0.571 175.349 175.328 -0.918 0.000 1.138 7 H CA -0.859 54.844 56.048 -0.576 0.000 1.241 7 H CB 0.157 29.701 29.762 -0.362 0.000 1.394 7 H HN 0.766 nan 8.280 nan 0.000 0.489 8 W N 3.930 124.829 121.300 -0.667 0.000 2.350 8 W HA -0.139 4.531 4.660 0.017 0.000 0.289 8 W C 0.139 176.656 176.519 -0.004 0.000 1.215 8 W CA 1.281 58.389 57.345 -0.395 0.000 1.236 8 W CB -0.055 29.410 29.460 0.009 0.000 1.130 8 W HN 0.532 nan 8.180 nan 0.000 0.541 9 D N -0.289 119.568 120.400 -0.905 0.000 2.348 9 D HA -0.079 4.571 4.640 0.017 0.000 0.211 9 D C -0.140 176.046 176.300 -0.191 0.000 0.998 9 D CA 0.474 53.988 54.000 -0.810 0.000 0.873 9 D CB -0.446 39.506 40.800 -1.413 0.000 0.925 9 D HN 0.075 nan 8.370 nan 0.000 0.524 10 D N -0.153 120.137 120.400 -0.184 0.000 2.978 10 D HA 0.181 4.832 4.640 0.017 0.000 0.268 10 D C -2.138 174.098 176.300 -0.106 0.000 1.252 10 D CA -1.564 52.379 54.000 -0.094 0.000 0.771 10 D CB 1.336 42.056 40.800 -0.133 0.000 1.361 10 D HN -0.204 nan 8.370 nan 0.000 0.558 11 P HA -0.023 nan 4.420 nan 0.000 0.218 11 P C 1.197 178.528 177.300 0.052 0.000 1.148 11 P CA 0.809 63.908 63.100 -0.001 0.000 0.822 11 P CB 0.333 32.160 31.700 0.212 0.000 0.784 12 L N -1.174 120.061 121.223 0.021 0.000 2.685 12 L HA 0.190 4.540 4.340 0.017 0.000 0.233 12 L C 0.261 177.108 176.870 -0.037 0.000 1.173 12 L CA -0.302 54.543 54.840 0.009 0.000 0.961 12 L CB -0.728 41.339 42.059 0.012 0.000 1.217 12 L HN -0.120 nan 8.230 nan 0.000 0.478 13 L N 0.193 121.359 121.223 -0.095 0.000 3.879 13 L HA -0.275 4.075 4.340 0.017 0.000 0.481 13 L C 1.613 178.435 176.870 -0.081 0.000 1.232 13 L CA -0.165 54.585 54.840 -0.150 0.000 0.736 13 L CB -1.095 40.845 42.059 -0.198 0.000 1.511 13 L HN 0.345 nan 8.230 nan 0.000 0.830 14 L N 0.531 121.726 121.223 -0.046 0.000 2.081 14 L HA -0.236 4.114 4.340 0.017 0.000 0.212 14 L C 2.056 178.925 176.870 -0.002 0.000 1.080 14 L CA 2.571 57.411 54.840 -0.001 0.000 0.754 14 L CB -0.209 41.869 42.059 0.030 0.000 0.893 14 L HN 0.550 nan 8.230 nan 0.000 0.433 15 D N -0.799 119.580 120.400 -0.035 0.000 2.192 15 D HA -0.305 4.346 4.640 0.017 0.000 0.189 15 D C 2.101 178.378 176.300 -0.038 0.000 1.007 15 D CA 2.003 55.976 54.000 -0.044 0.000 0.859 15 D CB -0.110 40.639 40.800 -0.085 0.000 0.936 15 D HN 0.559 nan 8.370 nan 0.000 0.447 16 Q N -0.958 118.810 119.800 -0.053 0.000 2.297 16 Q HA -0.067 4.284 4.340 0.017 0.000 0.204 16 Q C 2.007 177.998 176.000 -0.015 0.000 0.962 16 Q CA 0.617 56.395 55.803 -0.041 0.000 0.879 16 Q CB 0.028 28.731 28.738 -0.058 0.000 0.947 16 Q HN 0.534 nan 8.270 nan 0.000 0.462 17 Q N -0.017 119.782 119.800 -0.003 0.000 2.451 17 Q HA 0.094 4.444 4.340 0.017 0.000 0.206 17 Q C 0.053 176.073 176.000 0.033 0.000 0.947 17 Q CA 0.177 55.991 55.803 0.018 0.000 0.937 17 Q CB 0.315 29.070 28.738 0.030 0.000 1.025 17 Q HN 0.296 nan 8.270 nan 0.000 0.511 18 L N 0.691 121.930 121.223 0.026 0.000 2.334 18 L HA 0.427 4.777 4.340 0.017 0.000 0.277 18 L C 0.239 177.118 176.870 0.014 0.000 1.075 18 L CA -1.006 53.851 54.840 0.030 0.000 0.804 18 L CB 0.846 42.920 42.059 0.024 0.000 1.174 18 L HN 0.022 nan 8.230 nan 0.000 0.438 19 A N 1.498 124.327 122.820 0.014 0.000 2.448 19 A HA 0.017 4.348 4.320 0.017 0.000 0.239 19 A C 0.898 178.479 177.584 -0.004 0.000 1.080 19 A CA -0.188 51.852 52.037 0.005 0.000 0.779 19 A CB 0.121 19.125 19.000 0.006 0.000 1.026 19 A HN 0.891 nan 8.150 nan 0.000 0.499 20 D N -0.081 120.315 120.400 -0.007 0.000 2.144 20 D HA -0.148 4.502 4.640 0.017 0.000 0.199 20 D C 1.105 177.396 176.300 -0.015 0.000 0.984 20 D CA 1.806 55.799 54.000 -0.012 0.000 0.834 20 D CB 0.010 40.803 40.800 -0.012 0.000 0.955 20 D HN 0.731 nan 8.370 nan 0.000 0.465 21 D N 1.016 121.407 120.400 -0.015 0.000 2.123 21 D HA -0.150 4.500 4.640 0.017 0.000 0.196 21 D C 1.807 178.092 176.300 -0.025 0.000 0.992 21 D CA 1.111 55.098 54.000 -0.021 0.000 0.833 21 D CB 0.080 40.867 40.800 -0.021 0.000 0.954 21 D HN 0.222 nan 8.370 nan 0.000 0.455 22 E N -0.448 119.739 120.200 -0.022 0.000 2.107 22 E HA -0.096 4.264 4.350 0.017 0.000 0.191 22 E C 2.228 178.809 176.600 -0.031 0.000 0.982 22 E CA 0.373 56.755 56.400 -0.030 0.000 0.809 22 E CB 0.045 29.733 29.700 -0.020 0.000 0.756 22 E HN 0.149 nan 8.360 nan 0.000 0.459 23 R N 0.421 120.908 120.500 -0.022 0.000 2.081 23 R HA -0.093 4.257 4.340 0.017 0.000 0.235 23 R C 2.271 178.557 176.300 -0.023 0.000 1.131 23 R CA 1.270 57.356 56.100 -0.023 0.000 0.960 23 R CB -0.042 30.244 30.300 -0.022 0.000 0.856 23 R HN 0.178 nan 8.270 nan 0.000 0.436 24 M N -0.296 119.291 119.600 -0.021 0.000 2.080 24 M HA -0.197 4.293 4.480 0.017 0.000 0.260 24 M C 2.224 178.515 176.300 -0.015 0.000 1.068 24 M CA 1.564 56.854 55.300 -0.017 0.000 1.109 24 M CB -0.120 32.469 32.600 -0.019 0.000 1.342 24 M HN 0.053 nan 8.290 nan 0.000 0.405 25 V N 0.093 119.993 119.914 -0.023 0.000 2.392 25 V HA -0.300 3.830 4.120 0.017 0.000 0.249 25 V C 2.413 178.499 176.094 -0.014 0.000 1.059 25 V CA 1.883 64.168 62.300 -0.026 0.000 1.051 25 V CB -0.889 30.909 31.823 -0.042 0.000 0.658 25 V HN 0.478 nan 8.190 nan 0.000 0.455 26 R N 0.049 120.538 120.500 -0.018 0.000 2.081 26 R HA -0.179 4.171 4.340 0.017 0.000 0.235 26 R C 2.002 178.326 176.300 0.041 0.000 1.131 26 R CA 2.054 58.153 56.100 -0.001 0.000 0.960 26 R CB -0.361 29.929 30.300 -0.017 0.000 0.856 26 R HN 0.503 nan 8.270 nan 0.000 0.436 27 D N 0.310 120.723 120.400 0.021 0.000 2.144 27 D HA -0.104 4.546 4.640 0.017 0.000 0.200 27 D C 1.671 178.023 176.300 0.087 0.000 0.978 27 D CA 1.399 55.422 54.000 0.039 0.000 0.833 27 D CB -0.193 40.607 40.800 -0.001 0.000 0.961 27 D HN 0.365 nan 8.370 nan 0.000 0.470 28 A N 0.836 123.691 122.820 0.058 0.000 1.930 28 A HA 0.055 4.386 4.320 0.017 0.000 0.217 28 A C 2.274 179.918 177.584 0.099 0.000 1.175 28 A CA 1.830 53.904 52.037 0.062 0.000 0.627 28 A CB -0.539 18.473 19.000 0.020 0.000 0.815 28 A HN 0.224 nan 8.150 nan 0.000 0.443 29 A N -0.927 121.950 122.820 0.094 0.000 1.898 29 A HA -0.113 4.218 4.320 0.017 0.000 0.216 29 A C 1.986 179.664 177.584 0.155 0.000 1.181 29 A CA 1.917 54.029 52.037 0.125 0.000 0.620 29 A CB -0.861 18.186 19.000 0.079 0.000 0.819 29 A HN 0.759 nan 8.150 nan 0.000 0.442 30 H N -0.043 119.058 119.070 0.053 0.000 2.293 30 H HA -0.012 4.554 4.556 0.017 0.000 0.300 30 H C 2.214 177.560 175.328 0.030 0.000 1.082 30 H CA 2.206 58.276 56.048 0.036 0.000 1.308 30 H CB -0.218 29.556 29.762 0.020 0.000 1.375 30 H HN 0.387 nan 8.280 nan 0.000 0.495 31 A N -0.175 122.746 122.820 0.168 0.000 1.908 31 A HA -0.238 4.092 4.320 0.017 0.000 0.218 31 A C 2.367 179.970 177.584 0.032 0.000 1.181 31 A CA 1.768 53.863 52.037 0.097 0.000 0.627 31 A CB -1.391 17.678 19.000 0.114 0.000 0.818 31 A HN 0.756 nan 8.150 nan 0.000 0.445 32 Y N 0.273 120.550 120.300 -0.038 0.000 2.133 32 Y HA -0.017 4.543 4.550 0.017 0.000 0.287 32 Y C 2.646 178.488 175.900 -0.098 0.000 1.134 32 Y CA 1.541 59.605 58.100 -0.061 0.000 1.133 32 Y CB -0.475 37.953 38.460 -0.054 0.000 0.987 32 Y HN 0.300 nan 8.280 nan 0.000 0.502 33 A N 0.419 123.053 122.820 -0.310 0.000 1.877 33 A HA -0.213 4.117 4.320 0.017 0.000 0.216 33 A C 2.059 179.426 177.584 -0.362 0.000 1.186 33 A CA 1.835 53.635 52.037 -0.395 0.000 0.620 33 A CB -0.711 18.209 19.000 -0.133 0.000 0.822 33 A HN 0.573 nan 8.150 nan 0.000 0.443 34 Q N -0.520 119.079 119.800 -0.334 0.000 2.119 34 Q HA -0.098 4.253 4.340 0.017 0.000 0.201 34 Q C 2.177 178.050 176.000 -0.212 0.000 0.972 34 Q CA 1.618 57.252 55.803 -0.281 0.000 0.847 34 Q CB -0.982 27.534 28.738 -0.371 0.000 0.903 34 Q HN 0.654 nan 8.270 nan 0.000 0.433 35 G N 0.773 109.443 108.800 -0.216 0.000 2.394 35 G HA2 -0.164 3.807 3.960 0.017 0.000 0.215 35 G HA3 -0.164 3.807 3.960 0.017 0.000 0.215 35 G C 1.511 176.294 174.900 -0.195 0.000 1.165 35 G CA 0.383 45.391 45.100 -0.154 0.000 0.784 35 G HN 0.162 nan 8.290 nan 0.000 0.535 36 K N -0.593 119.593 120.400 -0.358 0.000 2.399 36 K HA 0.373 4.704 4.320 0.017 0.000 0.196 36 K C 2.189 178.552 176.600 -0.396 0.000 1.117 36 K CA -0.017 56.050 56.287 -0.367 0.000 0.965 36 K CB 0.416 32.646 32.500 -0.450 0.000 0.983 36 K HN 0.291 nan 8.250 nan 0.000 0.531 37 L N 0.318 121.250 121.223 -0.485 0.000 2.286 37 L HA 0.173 4.523 4.340 0.017 0.000 0.203 37 L C 2.443 179.232 176.870 -0.136 0.000 1.068 37 L CA 0.638 55.227 54.840 -0.418 0.000 0.811 37 L CB -0.471 41.242 42.059 -0.576 0.000 0.989 37 L HN -0.033 nan 8.230 nan 0.000 0.467 38 A N 1.324 124.072 122.820 -0.119 0.000 1.903 38 A HA -0.179 4.151 4.320 0.017 0.000 0.219 38 A C -0.128 177.445 177.584 -0.018 0.000 1.191 38 A CA 2.139 54.151 52.037 -0.041 0.000 0.638 38 A CB -1.967 16.994 19.000 -0.065 0.000 0.823 38 A HN 0.297 nan 8.150 nan 0.000 0.451 39 P HA -0.068 nan 4.420 nan 0.000 0.223 39 P C 1.461 178.771 177.300 0.016 0.000 1.151 39 P CA 0.993 64.084 63.100 -0.015 0.000 0.787 39 P CB -0.050 31.631 31.700 -0.032 0.000 0.788 40 R N -0.888 119.627 120.500 0.024 0.000 2.127 40 R HA 0.018 4.368 4.340 0.017 0.000 0.217 40 R C 2.161 178.554 176.300 0.156 0.000 1.074 40 R CA 0.408 56.558 56.100 0.084 0.000 0.991 40 R CB -0.933 29.409 30.300 0.070 0.000 0.895 40 R HN 0.056 nan 8.270 nan 0.000 0.450 41 V N 0.737 120.756 119.914 0.175 0.000 2.295 41 V HA -0.259 3.871 4.120 0.017 0.000 0.246 41 V C 1.690 177.845 176.094 0.101 0.000 1.049 41 V CA 2.412 64.822 62.300 0.183 0.000 1.024 41 V CB -0.263 31.645 31.823 0.142 0.000 0.648 41 V HN 0.390 nan 8.190 nan 0.000 0.447 42 T N -0.253 114.335 114.554 0.057 0.000 2.684 42 T HA -0.167 4.193 4.350 0.017 0.000 0.267 42 T C 1.848 176.585 174.700 0.062 0.000 1.036 42 T CA 1.704 63.825 62.100 0.034 0.000 1.148 42 T CB -0.285 68.591 68.868 0.013 0.000 0.863 42 T HN 0.484 nan 8.240 nan 0.000 0.436 43 E N 0.889 121.132 120.200 0.071 0.000 2.112 43 E HA 0.118 4.478 4.350 0.017 0.000 0.190 43 E C 2.553 179.214 176.600 0.101 0.000 0.979 43 E CA 0.850 57.295 56.400 0.075 0.000 0.814 43 E CB -0.425 29.354 29.700 0.132 0.000 0.762 43 E HN 0.487 nan 8.360 nan 0.000 0.460 44 A N 0.537 123.439 122.820 0.136 0.000 1.902 44 A HA -0.168 4.163 4.320 0.017 0.000 0.217 44 A C 2.071 179.715 177.584 0.101 0.000 1.181 44 A CA 1.141 53.266 52.037 0.147 0.000 0.623 44 A CB -0.724 18.400 19.000 0.206 0.000 0.818 44 A HN 0.284 nan 8.150 nan 0.000 0.443 45 F N 0.118 120.036 119.950 -0.053 0.000 2.128 45 F HA -0.049 4.488 4.527 0.017 0.000 0.295 45 F C 2.370 178.113 175.800 -0.095 0.000 1.100 45 F CA 1.733 59.680 58.000 -0.088 0.000 1.260 45 F CB -0.210 38.715 39.000 -0.125 0.000 1.009 45 F HN 0.169 nan 8.300 nan 0.000 0.476 46 R N -0.675 119.848 120.500 0.038 0.000 2.096 46 R HA -0.208 4.143 4.340 0.017 0.000 0.240 46 R C 1.485 177.575 176.300 -0.350 0.000 1.139 46 R CA 2.119 58.090 56.100 -0.214 0.000 0.952 46 R CB -0.486 29.571 30.300 -0.405 0.000 0.854 46 R HN 0.390 nan 8.270 nan 0.000 0.436 47 H N -0.934 118.132 119.070 -0.007 0.000 2.594 47 H HA 0.126 4.692 4.556 0.017 0.000 0.279 47 H C -0.221 175.091 175.328 -0.027 0.000 1.042 47 H CA 0.199 56.236 56.048 -0.018 0.000 1.177 47 H CB 0.494 30.257 29.762 0.002 0.000 1.524 47 H HN 0.343 nan 8.280 nan 0.000 0.537 48 E N 1.791 122.002 120.200 0.018 0.000 2.271 48 E HA -0.162 4.198 4.350 0.017 0.000 0.223 48 E C -0.303 176.366 176.600 0.115 0.000 1.223 48 E CA 0.530 56.947 56.400 0.028 0.000 0.704 48 E CB -0.774 28.970 29.700 0.073 0.000 1.194 48 E HN 0.439 nan 8.360 nan 0.000 0.375 49 T N -0.391 114.234 114.554 0.119 0.000 2.869 49 T HA 0.320 4.681 4.350 0.017 0.000 0.295 49 T C 0.234 175.027 174.700 0.156 0.000 0.987 49 T CA 0.070 62.252 62.100 0.137 0.000 1.109 49 T CB 1.346 70.298 68.868 0.139 0.000 0.932 49 T HN 0.130 nan 8.240 nan 0.000 0.518 50 T N 4.701 119.350 114.554 0.158 0.000 2.743 50 T HA 0.332 4.692 4.350 0.017 0.000 0.293 50 T C -0.572 174.225 174.700 0.163 0.000 0.945 50 T CA -0.474 61.729 62.100 0.172 0.000 1.030 50 T CB 0.600 69.569 68.868 0.170 0.000 0.912 50 T HN 0.670 nan 8.240 nan 0.000 0.483 51 D N 2.013 122.525 120.400 0.187 0.000 2.375 51 D HA 0.485 5.135 4.640 0.017 0.000 0.259 51 D C 0.948 177.374 176.300 0.210 0.000 1.235 51 D CA -0.688 53.413 54.000 0.168 0.000 0.924 51 D CB 0.872 41.755 40.800 0.139 0.000 1.143 51 D HN 0.468 nan 8.370 nan 0.000 0.529 52 A N 2.936 125.891 122.820 0.225 0.000 1.978 52 A HA -0.090 4.240 4.320 0.017 0.000 0.220 52 A C 2.119 179.901 177.584 0.330 0.000 1.170 52 A CA 1.827 54.049 52.037 0.309 0.000 0.636 52 A CB -0.359 18.761 19.000 0.199 0.000 0.810 52 A HN 0.578 nan 8.150 nan 0.000 0.448 53 A N -0.052 122.888 122.820 0.200 0.000 2.084 53 A HA -0.126 4.204 4.320 0.017 0.000 0.221 53 A C 1.968 179.634 177.584 0.136 0.000 1.161 53 A CA 1.479 53.608 52.037 0.153 0.000 0.653 53 A CB -0.711 18.351 19.000 0.104 0.000 0.802 53 A HN 0.564 nan 8.150 nan 0.000 0.457 54 I N -1.786 118.844 120.570 0.099 0.000 2.361 54 I HA -0.268 3.912 4.170 0.017 0.000 0.251 54 I C 2.091 178.168 176.117 -0.067 0.000 1.133 54 I CA 1.227 62.518 61.300 -0.016 0.000 1.413 54 I CB -0.392 37.519 38.000 -0.149 0.000 1.073 54 I HN 0.343 nan 8.210 nan 0.000 0.424 55 F N 0.754 120.736 119.950 0.053 0.000 2.134 55 F HA -0.154 4.383 4.527 0.017 0.000 0.299 55 F C 2.727 178.526 175.800 -0.002 0.000 1.097 55 F CA 1.340 59.359 58.000 0.033 0.000 1.264 55 F CB -0.509 38.524 39.000 0.055 0.000 1.001 55 F HN -0.140 nan 8.300 nan 0.000 0.479 56 R N 0.346 120.960 120.500 0.190 0.000 2.081 56 R HA -0.149 4.202 4.340 0.017 0.000 0.235 56 R C 2.073 178.375 176.300 0.002 0.000 1.131 56 R CA 1.582 57.733 56.100 0.084 0.000 0.960 56 R CB -0.466 29.882 30.300 0.079 0.000 0.856 56 R HN 0.406 nan 8.270 nan 0.000 0.436 57 E N 0.306 120.498 120.200 -0.014 0.000 2.058 57 E HA -0.211 4.149 4.350 0.017 0.000 0.194 57 E C 2.061 178.458 176.600 -0.338 0.000 0.997 57 E CA 1.524 57.863 56.400 -0.102 0.000 0.801 57 E CB -0.071 29.650 29.700 0.036 0.000 0.746 57 E HN 0.300 nan 8.360 nan 0.000 0.450 58 M N 0.075 119.467 119.600 -0.346 0.000 2.132 58 M HA -0.064 4.426 4.480 0.017 0.000 0.263 58 M C 2.470 178.643 176.300 -0.211 0.000 1.065 58 M CA 1.399 56.459 55.300 -0.400 0.000 1.122 58 M CB -0.399 32.048 32.600 -0.256 0.000 1.365 58 M HN 0.211 nan 8.290 nan 0.000 0.411 59 G N 0.373 109.116 108.800 -0.096 0.000 2.491 59 G HA2 -0.240 3.730 3.960 0.017 0.000 0.218 59 G HA3 -0.240 3.730 3.960 0.017 0.000 0.218 59 G C 1.269 176.122 174.900 -0.079 0.000 1.180 59 G CA 1.016 46.086 45.100 -0.050 0.000 0.774 59 G HN 0.482 nan 8.290 nan 0.000 0.562 60 E N 0.056 120.202 120.200 -0.090 0.000 2.333 60 E HA -0.039 4.321 4.350 0.017 0.000 0.198 60 E C 2.138 178.680 176.600 -0.096 0.000 1.007 60 E CA 0.705 57.057 56.400 -0.081 0.000 0.845 60 E CB -0.090 29.571 29.700 -0.065 0.000 0.766 60 E HN 0.789 nan 8.360 nan 0.000 0.507 61 I N -4.727 115.759 120.570 -0.139 0.000 4.025 61 I HA 0.388 4.568 4.170 0.017 0.000 0.336 61 I C 0.835 176.886 176.117 -0.109 0.000 1.390 61 I CA 0.076 61.300 61.300 -0.126 0.000 1.099 61 I CB 0.338 38.241 38.000 -0.162 0.000 1.049 61 I HN -0.008 nan 8.210 nan 0.000 0.394 62 G N 2.872 111.609 108.800 -0.105 0.000 2.324 62 G HA2 -0.221 3.749 3.960 0.017 0.000 0.292 62 G HA3 -0.221 3.749 3.960 0.017 0.000 0.292 62 G C 0.218 175.062 174.900 -0.093 0.000 1.079 62 G CA 0.349 45.395 45.100 -0.090 0.000 1.026 62 G HN 0.485 nan 8.290 nan 0.000 0.506 63 L N -1.187 119.975 121.223 -0.102 0.000 2.664 63 L HA 0.365 4.715 4.340 0.017 0.000 0.233 63 L C 1.245 178.081 176.870 -0.058 0.000 1.113 63 L CA -0.003 54.788 54.840 -0.081 0.000 0.896 63 L CB 0.160 42.154 42.059 -0.109 0.000 1.163 63 L HN 0.246 nan 8.230 nan 0.000 0.497 64 L N 0.716 121.904 121.223 -0.058 0.000 2.275 64 L HA 0.442 4.792 4.340 0.017 0.000 0.288 64 L C 0.864 177.685 176.870 -0.082 0.000 1.046 64 L CA -0.323 54.498 54.840 -0.032 0.000 0.805 64 L CB 1.156 43.231 42.059 0.027 0.000 1.193 64 L HN 0.221 nan 8.230 nan 0.000 0.426 65 G N 4.199 112.920 108.800 -0.131 0.000 2.359 65 G HA2 -0.184 3.786 3.960 0.017 0.000 0.298 65 G HA3 -0.184 3.786 3.960 0.017 0.000 0.298 65 G C -1.823 172.914 174.900 -0.272 0.000 1.030 65 G CA -0.515 44.455 45.100 -0.217 0.000 1.149 65 G HN 0.579 nan 8.290 nan 0.000 0.512 66 P HA -0.125 nan 4.420 nan 0.000 0.218 66 P C 2.131 179.248 177.300 -0.306 0.000 1.148 66 P CA 2.169 65.110 63.100 -0.264 0.000 0.822 66 P CB 0.000 31.576 31.700 -0.208 0.000 0.784 67 T N -4.382 109.918 114.554 -0.424 0.000 3.081 67 T HA 0.061 4.421 4.350 0.017 0.000 0.255 67 T C 0.944 175.378 174.700 -0.443 0.000 1.113 67 T CA -0.016 61.809 62.100 -0.458 0.000 1.082 67 T CB -0.648 67.845 68.868 -0.626 0.000 0.939 67 T HN -0.184 nan 8.240 nan 0.000 0.506 68 I N 3.744 124.058 120.570 -0.427 0.000 2.683 68 I HA 0.224 4.405 4.170 0.017 0.000 0.286 68 I C -2.258 173.656 176.117 -0.337 0.000 1.175 68 I CA -3.000 58.008 61.300 -0.486 0.000 1.429 68 I CB -0.072 37.734 38.000 -0.323 0.000 1.371 68 I HN 0.073 nan 8.210 nan 0.000 0.569 69 P HA 0.113 nan 4.420 nan 0.000 0.272 69 P C 0.586 177.821 177.300 -0.108 0.000 1.223 69 P CA -0.220 62.780 63.100 -0.167 0.000 0.784 69 P CB 0.668 32.321 31.700 -0.079 0.000 0.923 70 E N 0.516 120.652 120.200 -0.108 0.000 2.209 70 E HA -0.277 4.083 4.350 0.017 0.000 0.196 70 E C 1.829 178.356 176.600 -0.122 0.000 0.993 70 E CA 0.999 57.341 56.400 -0.098 0.000 0.819 70 E CB -0.156 29.491 29.700 -0.088 0.000 0.745 70 E HN 0.549 nan 8.360 nan 0.000 0.477 71 Q N -0.153 119.530 119.800 -0.197 0.000 2.112 71 Q HA -0.209 4.141 4.340 0.017 0.000 0.206 71 Q C 0.522 176.298 176.000 -0.373 0.000 0.987 71 Q CA 1.474 57.066 55.803 -0.353 0.000 0.858 71 Q CB 0.036 28.434 28.738 -0.567 0.000 0.905 71 Q HN 0.410 nan 8.270 nan 0.000 0.420 72 Y N -1.435 118.863 120.300 -0.002 0.000 2.708 72 Y HA 0.382 4.941 4.550 0.014 0.000 0.287 72 Y C 1.098 176.980 175.900 -0.030 0.000 1.145 72 Y CA 0.142 58.245 58.100 0.006 0.000 1.249 72 Y CB 0.877 39.374 38.460 0.062 0.000 1.152 72 Y HN 0.281 nan 8.280 nan 0.000 0.532 73 G N -0.650 108.175 108.800 0.042 0.000 2.195 73 G HA2 -0.242 3.728 3.960 0.017 0.000 0.246 73 G HA3 -0.242 3.728 3.960 0.017 0.000 0.246 73 G C 0.808 175.690 174.900 -0.029 0.000 0.984 73 G CA -0.217 44.882 45.100 -0.002 0.000 0.633 73 G HN 0.770 nan 8.290 nan 0.000 0.525 74 G N 0.468 109.247 108.800 -0.036 0.000 2.569 74 G HA2 0.525 4.495 3.960 0.017 0.000 0.249 74 G HA3 0.525 4.495 3.960 0.017 0.000 0.249 74 G C -0.517 174.324 174.900 -0.098 0.000 1.216 74 G CA -0.124 44.923 45.100 -0.088 0.000 0.845 74 G HN 0.168 nan 8.290 nan 0.000 0.568 75 P HA 0.064 nan 4.420 nan 0.000 0.245 75 P C 1.075 178.306 177.300 -0.115 0.000 1.212 75 P CA 0.759 63.797 63.100 -0.103 0.000 0.774 75 P CB 0.281 31.922 31.700 -0.098 0.000 0.999 76 G N 0.553 109.265 108.800 -0.146 0.000 2.371 76 G HA2 -0.247 3.723 3.960 0.017 0.000 0.299 76 G HA3 -0.247 3.723 3.960 0.017 0.000 0.299 76 G C -0.189 174.623 174.900 -0.146 0.000 1.014 76 G CA -0.035 44.972 45.100 -0.155 0.000 1.097 76 G HN 0.298 nan 8.290 nan 0.000 0.512 77 L N -0.208 120.914 121.223 -0.169 0.000 2.365 77 L HA 0.604 4.954 4.340 0.017 0.000 0.267 77 L C 0.806 177.561 176.870 -0.192 0.000 1.033 77 L CA -1.114 53.638 54.840 -0.146 0.000 0.802 77 L CB 0.765 42.752 42.059 -0.121 0.000 1.267 77 L HN 0.404 nan 8.230 nan 0.000 0.457 78 D N -1.445 118.873 120.400 -0.138 0.000 2.451 78 D HA 0.018 4.668 4.640 0.017 0.000 0.259 78 D C 0.576 176.802 176.300 -0.124 0.000 1.201 78 D CA -0.089 53.824 54.000 -0.145 0.000 1.028 78 D CB 0.384 41.166 40.800 -0.031 0.000 1.095 78 D HN 0.349 nan 8.370 nan 0.000 0.539 79 Y N -0.630 119.696 120.300 0.043 0.000 2.352 79 Y HA -0.087 4.472 4.550 0.016 0.000 0.292 79 Y C 2.372 178.392 175.900 0.200 0.000 1.136 79 Y CA 0.667 58.839 58.100 0.120 0.000 1.227 79 Y CB -0.393 37.998 38.460 -0.116 0.000 0.991 79 Y HN 0.164 nan 8.280 nan 0.000 0.545 80 V N -1.146 118.910 119.914 0.236 0.000 2.261 80 V HA -0.315 3.816 4.120 0.017 0.000 0.246 80 V C 2.321 178.291 176.094 -0.207 0.000 1.047 80 V CA 2.165 64.515 62.300 0.083 0.000 1.015 80 V CB -0.979 30.910 31.823 0.111 0.000 0.642 80 V HN 0.324 nan 8.190 nan 0.000 0.446 81 S N -1.409 114.233 115.700 -0.096 0.000 2.365 81 S HA -0.287 4.194 4.470 0.017 0.000 0.225 81 S C 1.823 176.363 174.600 -0.100 0.000 1.039 81 S CA 2.156 60.284 58.200 -0.120 0.000 1.033 81 S CB -0.592 62.568 63.200 -0.067 0.000 0.887 81 S HN 0.711 nan 8.310 nan 0.000 0.447 82 Y N 1.837 122.042 120.300 -0.159 0.000 2.151 82 Y HA -0.263 4.297 4.550 0.017 0.000 0.284 82 Y C 2.450 178.187 175.900 -0.270 0.000 1.166 82 Y CA 1.088 59.119 58.100 -0.115 0.000 1.163 82 Y CB -0.676 37.812 38.460 0.048 0.000 0.974 82 Y HN 0.346 nan 8.280 nan 0.000 0.511 83 G N 0.485 108.899 108.800 -0.643 0.000 2.433 83 G HA2 -0.266 3.704 3.960 0.017 0.000 0.216 83 G HA3 -0.266 3.704 3.960 0.017 0.000 0.216 83 G C 1.521 175.630 174.900 -1.317 0.000 1.186 83 G CA 1.196 45.274 45.100 -1.703 0.000 0.779 83 G HN 0.428 nan 8.290 nan 0.000 0.543 84 L N 0.170 120.725 121.223 -1.113 0.000 2.127 84 L HA -0.075 4.275 4.340 0.017 0.000 0.211 84 L C 2.807 179.551 176.870 -0.210 0.000 1.089 84 L CA 0.652 55.183 54.840 -0.515 0.000 0.757 84 L CB -0.350 41.508 42.059 -0.335 0.000 0.899 84 L HN 0.220 nan 8.230 nan 0.000 0.434 85 I N -0.335 120.131 120.570 -0.174 0.000 2.163 85 I HA -0.257 3.923 4.170 0.017 0.000 0.240 85 I C 2.809 178.921 176.117 -0.009 0.000 1.081 85 I CA 1.172 62.449 61.300 -0.037 0.000 1.353 85 I CB -0.505 37.510 38.000 0.025 0.000 1.054 85 I HN 0.180 nan 8.210 nan 0.000 0.407 86 A N 0.772 123.556 122.820 -0.060 0.000 1.940 86 A HA -0.270 4.061 4.320 0.017 0.000 0.219 86 A C 2.435 180.036 177.584 0.028 0.000 1.176 86 A CA 1.986 54.010 52.037 -0.022 0.000 0.631 86 A CB -0.721 18.202 19.000 -0.128 0.000 0.814 86 A HN 0.392 nan 8.150 nan 0.000 0.446 87 R N -0.624 119.900 120.500 0.040 0.000 2.092 87 R HA -0.135 4.216 4.340 0.017 0.000 0.231 87 R C 1.733 178.089 176.300 0.094 0.000 1.119 87 R CA 1.574 57.740 56.100 0.110 0.000 0.970 87 R CB -0.152 30.282 30.300 0.225 0.000 0.864 87 R HN 0.416 nan 8.270 nan 0.000 0.440 88 E N 0.077 120.328 120.200 0.084 0.000 2.152 88 E HA -0.091 4.269 4.350 0.017 0.000 0.192 88 E C 2.041 178.689 176.600 0.080 0.000 0.983 88 E CA 0.930 57.390 56.400 0.100 0.000 0.818 88 E CB -0.039 29.730 29.700 0.116 0.000 0.758 88 E HN 0.213 nan 8.360 nan 0.000 0.467 89 V N 0.978 120.946 119.914 0.089 0.000 2.379 89 V HA -0.185 3.945 4.120 0.017 0.000 0.245 89 V C 2.348 178.522 176.094 0.133 0.000 1.044 89 V CA 1.819 64.187 62.300 0.112 0.000 1.036 89 V CB -0.336 31.565 31.823 0.130 0.000 0.664 89 V HN 0.224 nan 8.190 nan 0.000 0.453 90 E N 0.130 120.396 120.200 0.109 0.000 2.285 90 E HA -0.165 4.195 4.350 0.017 0.000 0.194 90 E C 2.359 179.023 176.600 0.107 0.000 0.997 90 E CA 0.344 56.808 56.400 0.107 0.000 0.845 90 E CB -0.067 29.676 29.700 0.072 0.000 0.782 90 E HN 0.409 nan 8.360 nan 0.000 0.491 91 R N 0.033 120.584 120.500 0.084 0.000 2.117 91 R HA -0.165 4.185 4.340 0.017 0.000 0.243 91 R C 1.848 178.239 176.300 0.151 0.000 1.143 91 R CA 1.601 57.744 56.100 0.071 0.000 0.968 91 R CB -0.061 30.284 30.300 0.075 0.000 0.863 91 R HN 0.134 nan 8.270 nan 0.000 0.444 92 V N -0.405 119.599 119.914 0.150 0.000 2.256 92 V HA -0.062 4.069 4.120 0.017 0.000 0.240 92 V C 0.434 176.645 176.094 0.196 0.000 1.036 92 V CA 1.727 64.126 62.300 0.165 0.000 1.008 92 V CB -0.259 31.645 31.823 0.135 0.000 0.648 92 V HN 0.400 nan 8.190 nan 0.000 0.453 93 D N -3.048 117.465 120.400 0.187 0.000 2.836 93 D HA 0.284 4.934 4.640 0.017 0.000 0.215 93 D C 0.445 176.780 176.300 0.059 0.000 1.255 93 D CA -0.052 53.974 54.000 0.044 0.000 0.822 93 D CB 1.879 42.565 40.800 -0.190 0.000 1.656 93 D HN -0.099 nan 8.370 nan 0.000 0.511 94 S N 1.090 116.819 115.700 0.048 0.000 2.419 94 S HA -0.007 4.473 4.470 0.017 0.000 0.233 94 S C 1.884 176.499 174.600 0.026 0.000 1.016 94 S CA 1.086 59.316 58.200 0.050 0.000 0.974 94 S CB -0.074 63.149 63.200 0.039 0.000 0.786 94 S HN 0.624 nan 8.310 nan 0.000 0.492 95 G N 0.108 108.877 108.800 -0.052 0.000 2.402 95 G HA2 -0.168 3.802 3.960 0.017 0.000 0.216 95 G HA3 -0.168 3.802 3.960 0.017 0.000 0.216 95 G C 1.096 175.989 174.900 -0.013 0.000 1.162 95 G CA 0.450 45.508 45.100 -0.071 0.000 0.777 95 G HN 0.569 nan 8.290 nan 0.000 0.539 96 Y N 0.097 120.433 120.300 0.060 0.000 2.181 96 Y HA -0.075 4.485 4.550 0.017 0.000 0.288 96 Y C 3.075 178.992 175.900 0.029 0.000 1.146 96 Y CA 0.953 59.068 58.100 0.024 0.000 1.164 96 Y CB -0.071 38.400 38.460 0.018 0.000 0.982 96 Y HN 0.011 nan 8.280 nan 0.000 0.515 97 R N 0.476 121.095 120.500 0.198 0.000 2.096 97 R HA -0.164 4.186 4.340 0.017 0.000 0.235 97 R C 2.392 178.774 176.300 0.135 0.000 1.127 97 R CA 1.478 57.664 56.100 0.143 0.000 0.968 97 R CB -0.660 29.707 30.300 0.112 0.000 0.861 97 R HN 0.229 nan 8.270 nan 0.000 0.440 98 S N 0.215 115.995 115.700 0.133 0.000 2.382 98 S HA -0.112 4.368 4.470 0.017 0.000 0.228 98 S C 2.060 176.767 174.600 0.177 0.000 1.027 98 S CA 1.362 59.653 58.200 0.151 0.000 0.991 98 S CB -0.034 63.256 63.200 0.149 0.000 0.823 98 S HN 0.323 nan 8.310 nan 0.000 0.469 99 M N 0.443 120.144 119.600 0.169 0.000 2.086 99 M HA -0.092 4.398 4.480 0.017 0.000 0.261 99 M C 2.434 178.847 176.300 0.189 0.000 1.067 99 M CA 1.725 57.138 55.300 0.188 0.000 1.116 99 M CB -0.401 32.183 32.600 -0.026 0.000 1.348 99 M HN 0.422 nan 8.290 nan 0.000 0.407 100 M N 0.370 120.034 119.600 0.107 0.000 2.067 100 M HA -0.191 4.300 4.480 0.017 0.000 0.260 100 M C 2.348 178.753 176.300 0.176 0.000 1.069 100 M CA 2.475 57.846 55.300 0.120 0.000 1.117 100 M CB -0.293 32.369 32.600 0.104 0.000 1.334 100 M HN 0.377 nan 8.290 nan 0.000 0.407 101 S N -0.347 115.466 115.700 0.190 0.000 2.402 101 S HA -0.085 4.395 4.470 0.017 0.000 0.229 101 S C 1.772 176.467 174.600 0.158 0.000 1.021 101 S CA 1.303 59.633 58.200 0.216 0.000 0.974 101 S CB -1.205 62.109 63.200 0.191 0.000 0.800 101 S HN 0.410 nan 8.310 nan 0.000 0.484 102 V N 1.974 121.981 119.914 0.154 0.000 2.261 102 V HA -0.168 3.963 4.120 0.017 0.000 0.246 102 V C 3.123 179.297 176.094 0.133 0.000 1.047 102 V CA 1.959 64.338 62.300 0.131 0.000 1.015 102 V CB -0.810 31.123 31.823 0.183 0.000 0.642 102 V HN 0.483 nan 8.190 nan 0.000 0.446 103 Q N -0.126 119.785 119.800 0.186 0.000 2.061 103 Q HA -0.164 4.186 4.340 0.017 0.000 0.204 103 Q C 2.499 178.551 176.000 0.087 0.000 0.984 103 Q CA 2.231 58.131 55.803 0.162 0.000 0.846 103 Q CB -0.436 28.452 28.738 0.250 0.000 0.902 103 Q HN 0.676 nan 8.270 nan 0.000 0.421 104 S N 0.411 116.147 115.700 0.060 0.000 2.325 104 S HA -0.049 4.431 4.470 0.017 0.000 0.213 104 S C 2.150 176.726 174.600 -0.040 0.000 1.031 104 S CA 1.278 59.446 58.200 -0.053 0.000 0.984 104 S CB -0.233 62.871 63.200 -0.160 0.000 0.939 104 S HN 0.243 nan 8.310 nan 0.000 0.438 105 S N 0.878 116.597 115.700 0.032 0.000 2.446 105 S HA 0.282 4.762 4.470 0.017 0.000 0.225 105 S C 1.509 176.114 174.600 0.009 0.000 1.016 105 S CA 0.428 58.662 58.200 0.058 0.000 0.943 105 S CB -0.076 63.222 63.200 0.165 0.000 0.786 105 S HN 0.277 nan 8.310 nan 0.000 0.508 106 L N 0.080 121.287 121.223 -0.027 0.000 2.638 106 L HA 0.268 4.618 4.340 0.017 0.000 0.232 106 L C 1.182 178.156 176.870 0.173 0.000 1.099 106 L CA 0.149 54.911 54.840 -0.129 0.000 0.883 106 L CB 0.340 42.153 42.059 -0.409 0.000 1.136 106 L HN 0.156 nan 8.230 nan 0.000 0.492 107 V N -1.523 118.472 119.914 0.136 0.000 3.102 107 V HA 0.052 4.182 4.120 0.017 0.000 0.225 107 V C 1.960 178.112 176.094 0.098 0.000 1.301 107 V CA 0.411 62.793 62.300 0.137 0.000 1.308 107 V CB 0.408 32.285 31.823 0.090 0.000 1.129 107 V HN 0.154 nan 8.190 nan 0.000 0.502 108 M N -0.084 119.557 119.600 0.069 0.000 2.132 108 M HA -0.108 4.382 4.480 0.017 0.000 0.263 108 M C 2.179 178.517 176.300 0.063 0.000 1.065 108 M CA 1.532 56.862 55.300 0.050 0.000 1.122 108 M CB -0.313 32.289 32.600 0.003 0.000 1.365 108 M HN 0.227 nan 8.290 nan 0.000 0.411 109 V N 1.243 121.189 119.914 0.055 0.000 2.261 109 V HA -0.166 3.964 4.120 0.017 0.000 0.246 109 V C -0.576 175.541 176.094 0.039 0.000 1.047 109 V CA 2.077 64.414 62.300 0.062 0.000 1.015 109 V CB -1.895 29.958 31.823 0.051 0.000 0.642 109 V HN 0.281 nan 8.190 nan 0.000 0.446 110 P HA -0.154 nan 4.420 nan 0.000 0.216 110 P C 1.775 179.149 177.300 0.122 0.000 1.150 110 P CA 1.709 64.957 63.100 0.248 0.000 0.837 110 P CB -0.031 31.971 31.700 0.502 0.000 0.786 111 I N -1.667 118.952 120.570 0.082 0.000 2.252 111 I HA -0.202 3.978 4.170 0.017 0.000 0.245 111 I C 2.538 178.659 176.117 0.007 0.000 1.102 111 I CA 1.246 62.570 61.300 0.040 0.000 1.385 111 I CB -0.723 37.297 38.000 0.032 0.000 1.064 111 I HN -0.177 nan 8.210 nan 0.000 0.414 112 F N 1.828 121.700 119.950 -0.130 0.000 2.186 112 F HA -0.180 4.362 4.527 0.025 0.000 0.299 112 F C 2.334 178.030 175.800 -0.174 0.000 1.090 112 F CA 1.631 59.527 58.000 -0.173 0.000 1.307 112 F CB -0.006 38.910 39.000 -0.140 0.000 1.019 112 F HN -0.064 nan 8.300 nan 0.000 0.489 113 E N -0.710 119.285 120.200 -0.342 0.000 2.122 113 E HA 0.001 4.361 4.350 0.017 0.000 0.190 113 E C 1.253 177.562 176.600 -0.485 0.000 0.977 113 E CA 1.278 57.305 56.400 -0.622 0.000 0.820 113 E CB -0.165 28.945 29.700 -0.984 0.000 0.770 113 E HN 0.405 nan 8.360 nan 0.000 0.462 114 F N -1.575 118.403 119.950 0.045 0.000 2.767 114 F HA 0.432 4.966 4.527 0.012 0.000 0.323 114 F C 1.095 176.949 175.800 0.089 0.000 1.091 114 F CA -0.038 58.022 58.000 0.101 0.000 1.192 114 F CB -0.049 39.029 39.000 0.130 0.000 1.056 114 F HN -0.102 nan 8.300 nan 0.000 0.571 115 G N 0.428 109.319 108.800 0.152 0.000 2.528 115 G HA2 0.405 4.375 3.960 0.017 0.000 0.289 115 G HA3 0.405 4.375 3.960 0.017 0.000 0.289 115 G C 0.070 175.035 174.900 0.109 0.000 1.192 115 G CA -0.162 44.982 45.100 0.072 0.000 0.921 115 G HN 0.194 nan 8.290 nan 0.000 0.512 116 S N -0.725 115.005 115.700 0.050 0.000 2.624 116 S HA 0.109 4.590 4.470 0.017 0.000 0.263 116 S C 0.713 175.360 174.600 0.078 0.000 1.287 116 S CA 0.246 58.504 58.200 0.096 0.000 0.990 116 S CB 1.366 64.593 63.200 0.044 0.000 0.950 116 S HN 0.506 nan 8.310 nan 0.000 0.561 117 D N 0.896 121.352 120.400 0.092 0.000 2.178 117 D HA 0.071 4.721 4.640 0.017 0.000 0.202 117 D C 2.092 178.443 176.300 0.086 0.000 0.974 117 D CA 1.481 55.532 54.000 0.086 0.000 0.841 117 D CB -0.301 40.562 40.800 0.106 0.000 0.953 117 D HN 0.687 nan 8.370 nan 0.000 0.478 118 A N 0.131 122.998 122.820 0.079 0.000 1.929 118 A HA -0.186 4.144 4.320 0.017 0.000 0.216 118 A C 2.018 179.650 177.584 0.080 0.000 1.176 118 A CA 1.090 53.169 52.037 0.071 0.000 0.628 118 A CB -0.381 18.657 19.000 0.063 0.000 0.816 118 A HN 0.174 nan 8.150 nan 0.000 0.444 119 Q N -0.233 119.638 119.800 0.117 0.000 2.016 119 Q HA -0.146 4.204 4.340 0.017 0.000 0.200 119 Q C 2.065 178.197 176.000 0.220 0.000 0.978 119 Q CA 1.672 57.620 55.803 0.241 0.000 0.833 119 Q CB -0.195 28.659 28.738 0.193 0.000 0.895 119 Q HN 0.600 nan 8.270 nan 0.000 0.427 120 K N 0.705 121.129 120.400 0.040 0.000 2.063 120 K HA -0.223 4.108 4.320 0.017 0.000 0.208 120 K C 1.987 178.539 176.600 -0.081 0.000 1.048 120 K CA 1.753 57.950 56.287 -0.150 0.000 0.928 120 K CB -0.061 32.125 32.500 -0.523 0.000 0.713 120 K HN 0.402 nan 8.250 nan 0.000 0.442 121 E N 0.547 120.776 120.200 0.048 0.000 2.318 121 E HA -0.118 4.242 4.350 0.017 0.000 0.193 121 E C 1.874 178.491 176.600 0.028 0.000 0.998 121 E CA 0.569 57.051 56.400 0.137 0.000 0.859 121 E CB 0.081 29.893 29.700 0.187 0.000 0.812 121 E HN 0.126 nan 8.360 nan 0.000 0.492 122 K N -0.060 120.316 120.400 -0.039 0.000 2.062 122 K HA -0.114 4.216 4.320 0.017 0.000 0.205 122 K C 1.086 177.542 176.600 -0.239 0.000 1.051 122 K CA 1.279 57.433 56.287 -0.221 0.000 0.941 122 K CB 0.036 32.275 32.500 -0.436 0.000 0.719 122 K HN 0.161 nan 8.250 nan 0.000 0.440 123 Y N 0.007 120.401 120.300 0.157 0.000 2.422 123 Y HA 0.112 4.671 4.550 0.015 0.000 0.291 123 Y C 1.900 177.878 175.900 0.129 0.000 1.144 123 Y CA 0.152 58.394 58.100 0.237 0.000 1.208 123 Y CB -0.101 38.480 38.460 0.202 0.000 1.195 123 Y HN -0.127 nan 8.280 nan 0.000 0.535 124 L N 0.287 121.632 121.223 0.204 0.000 2.046 124 L HA -0.148 4.202 4.340 0.017 0.000 0.208 124 L C -0.661 176.260 176.870 0.084 0.000 1.077 124 L CA 1.368 56.284 54.840 0.128 0.000 0.747 124 L CB -1.661 40.444 42.059 0.077 0.000 0.896 124 L HN 0.185 nan 8.230 nan 0.000 0.432 125 P HA -0.145 nan 4.420 nan 0.000 0.217 125 P C 1.347 178.601 177.300 -0.076 0.000 1.150 125 P CA 1.300 64.397 63.100 -0.005 0.000 0.832 125 P CB 0.037 31.723 31.700 -0.024 0.000 0.787 126 K N -0.555 119.748 120.400 -0.160 0.000 2.103 126 K HA -0.005 4.325 4.320 0.017 0.000 0.204 126 K C 2.055 178.626 176.600 -0.048 0.000 1.052 126 K CA 1.002 57.123 56.287 -0.277 0.000 0.945 126 K CB -0.674 31.326 32.500 -0.834 0.000 0.722 126 K HN 0.157 nan 8.250 nan 0.000 0.443 127 L N 0.591 121.870 121.223 0.094 0.000 2.083 127 L HA -0.192 4.158 4.340 0.017 0.000 0.209 127 L C 2.529 179.444 176.870 0.076 0.000 1.083 127 L CA 1.138 56.059 54.840 0.136 0.000 0.752 127 L CB -0.527 41.628 42.059 0.160 0.000 0.899 127 L HN 0.189 nan 8.230 nan 0.000 0.433 128 A N -0.071 122.770 122.820 0.035 0.000 1.929 128 A HA -0.170 4.160 4.320 0.017 0.000 0.216 128 A C 2.398 179.980 177.584 -0.004 0.000 1.176 128 A CA 1.922 53.963 52.037 0.006 0.000 0.628 128 A CB -0.807 18.186 19.000 -0.011 0.000 0.816 128 A HN 0.500 nan 8.150 nan 0.000 0.444 129 T N -4.332 110.214 114.554 -0.015 0.000 3.088 129 T HA 0.350 4.710 4.350 0.017 0.000 0.259 129 T C 1.468 176.178 174.700 0.018 0.000 1.122 129 T CA 1.188 63.275 62.100 -0.021 0.000 1.095 129 T CB -0.122 68.716 68.868 -0.051 0.000 0.930 129 T HN 1.693 nan 8.240 nan 0.000 0.508 130 G N 1.292 110.128 108.800 0.060 0.000 2.143 130 G HA2 -0.322 3.648 3.960 0.017 0.000 0.249 130 G HA3 -0.322 3.648 3.960 0.017 0.000 0.249 130 G C 0.516 175.478 174.900 0.105 0.000 0.981 130 G CA 0.637 45.818 45.100 0.134 0.000 0.665 130 G HN 0.640 nan 8.290 nan 0.000 0.528 131 E N -1.288 118.934 120.200 0.038 0.000 2.072 131 E HA -0.043 4.317 4.350 0.017 0.000 0.191 131 E C 0.498 177.209 176.600 0.186 0.000 0.985 131 E CA 0.644 57.056 56.400 0.020 0.000 0.801 131 E CB 0.065 29.672 29.700 -0.155 0.000 0.750 131 E HN 0.454 nan 8.360 nan 0.000 0.452 132 W N 0.856 122.149 121.300 -0.012 0.000 2.433 132 W HA 0.448 5.117 4.660 0.015 0.000 0.315 132 W C -0.387 176.057 176.519 -0.127 0.000 1.087 132 W CA -1.169 56.151 57.345 -0.041 0.000 1.205 132 W CB 0.498 29.968 29.460 0.017 0.000 1.288 132 W HN -0.023 nan 8.180 nan 0.000 0.504 133 I N 3.004 123.546 120.570 -0.045 0.000 2.353 133 I HA 0.528 4.708 4.170 0.017 0.000 0.293 133 I C 0.955 176.891 176.117 -0.302 0.000 0.992 133 I CA -0.353 60.720 61.300 -0.379 0.000 1.268 133 I CB 0.997 38.580 38.000 -0.694 0.000 1.387 133 I HN 0.399 nan 8.210 nan 0.000 0.478 134 G N 4.404 113.053 108.800 -0.252 0.000 2.454 134 G HA2 0.644 4.614 3.960 0.017 0.000 0.329 134 G HA3 0.644 4.614 3.960 0.017 0.000 0.329 134 G C -0.927 173.857 174.900 -0.193 0.000 1.177 134 G CA -0.496 44.480 45.100 -0.207 0.000 0.951 134 G HN 0.874 nan 8.290 nan 0.000 0.485 135 C N -0.630 118.535 119.300 -0.226 0.000 3.080 135 C HA 0.873 5.343 4.460 0.017 0.000 0.307 135 C C -1.017 174.035 174.990 0.103 0.000 1.311 135 C CA -1.519 57.456 59.018 -0.071 0.000 1.533 135 C CB 1.004 28.635 27.740 -0.183 0.000 1.970 135 C HN 0.711 nan 8.230 nan 0.000 0.467 136 F N 1.485 121.462 119.950 0.045 0.000 2.500 136 F HA 0.630 5.167 4.527 0.016 0.000 0.349 136 F C 0.402 176.305 175.800 0.172 0.000 1.127 136 F CA -0.151 57.927 58.000 0.130 0.000 0.998 136 F CB 1.134 40.239 39.000 0.175 0.000 1.237 136 F HN 1.057 nan 8.300 nan 0.000 0.439 137 G N 6.618 115.317 108.800 -0.167 0.000 2.857 137 G HA2 0.391 4.361 3.960 0.017 0.000 0.326 137 G HA3 0.391 4.361 3.960 0.017 0.000 0.326 137 G C -0.276 174.551 174.900 -0.121 0.000 0.950 137 G CA -0.185 44.861 45.100 -0.090 0.000 1.400 137 G HN 0.721 nan 8.290 nan 0.000 0.473 138 L N 1.882 123.025 121.223 -0.134 0.000 2.588 138 L HA 0.392 4.742 4.340 0.017 0.000 0.194 138 L C 1.391 178.278 176.870 0.028 0.000 1.070 138 L CA 0.857 55.664 54.840 -0.055 0.000 0.852 138 L CB -0.002 41.972 42.059 -0.142 0.000 1.199 138 L HN 0.220 nan 8.230 nan 0.000 0.486 139 T N 1.741 116.334 114.554 0.066 0.000 2.916 139 T HA 0.230 4.590 4.350 0.017 0.000 0.303 139 T C -0.230 174.516 174.700 0.077 0.000 1.025 139 T CA 0.136 62.284 62.100 0.080 0.000 1.142 139 T CB 0.434 69.363 68.868 0.103 0.000 0.947 139 T HN 0.215 nan 8.240 nan 0.000 0.544 140 E N 2.193 122.435 120.200 0.071 0.000 2.320 140 E HA 0.492 4.853 4.350 0.017 0.000 0.264 140 E C -2.126 174.517 176.600 0.072 0.000 0.923 140 E CA -1.886 54.547 56.400 0.055 0.000 0.796 140 E CB 1.064 30.785 29.700 0.034 0.000 1.262 140 E HN 0.407 nan 8.360 nan 0.000 0.428 151 V N 0.619 120.541 119.914 0.013 0.000 3.307 151 V HA 0.108 4.238 4.120 0.017 0.000 0.244 151 V C 0.719 176.813 176.094 0.000 0.000 1.196 151 V CA 0.876 63.179 62.300 0.006 0.000 1.132 151 V CB 1.091 32.916 31.823 0.003 0.000 0.875 151 V HN 0.922 nan 8.190 nan 0.000 0.468 152 T N 3.000 117.553 114.554 -0.001 0.000 2.849 152 T HA 0.112 4.473 4.350 0.017 0.000 0.289 152 T C 0.081 174.768 174.700 -0.022 0.000 1.010 152 T CA 0.734 62.822 62.100 -0.020 0.000 1.161 152 T CB 0.144 69.001 68.868 -0.019 0.000 0.989 152 T HN 0.304 nan 8.240 nan 0.000 0.523 153 R N 2.059 122.529 120.500 -0.050 0.000 2.480 153 R HA 0.632 4.983 4.340 0.017 0.000 0.306 153 R C -1.067 175.172 176.300 -0.102 0.000 0.958 153 R CA -0.521 55.553 56.100 -0.044 0.000 0.861 153 R CB 1.077 31.363 30.300 -0.023 0.000 1.171 153 R HN 0.666 nan 8.270 nan 0.000 0.445 154 A N 4.791 127.551 122.820 -0.100 0.000 2.292 154 A HA 0.716 5.046 4.320 0.017 0.000 0.319 154 A C -0.669 176.935 177.584 0.033 0.000 1.206 154 A CA -0.687 51.259 52.037 -0.152 0.000 0.835 154 A CB 0.657 19.459 19.000 -0.330 0.000 1.164 154 A HN 0.770 nan 8.150 nan 0.000 0.505 155 R N 1.552 122.091 120.500 0.065 0.000 2.686 155 R HA 0.349 4.699 4.340 0.017 0.000 0.286 155 R C -0.919 175.460 176.300 0.133 0.000 0.969 155 R CA -0.814 55.346 56.100 0.100 0.000 0.898 155 R CB 2.338 32.664 30.300 0.043 0.000 1.183 155 R HN 0.722 nan 8.270 nan 0.000 0.456 156 K N 1.988 122.450 120.400 0.103 0.000 2.379 156 K HA 0.187 4.517 4.320 0.017 0.000 0.284 156 K C -0.089 176.497 176.600 -0.023 0.000 1.044 156 K CA -0.150 56.130 56.287 -0.011 0.000 0.974 156 K CB 0.759 33.250 32.500 -0.015 0.000 0.962 156 K HN 0.350 nan 8.250 nan 0.000 0.474 157 V N 0.874 120.760 119.914 -0.048 0.000 3.102 157 V HA 0.550 4.680 4.120 0.017 0.000 0.312 157 V C -2.711 173.374 176.094 -0.015 0.000 1.135 157 V CA -3.005 59.292 62.300 -0.006 0.000 1.022 157 V CB 1.476 33.327 31.823 0.047 0.000 1.056 157 V HN 0.521 nan 8.190 nan 0.000 0.436 158 P HA 0.330 nan 4.420 nan 0.000 0.261 158 P C 0.971 178.298 177.300 0.044 0.000 1.183 158 P CA 1.962 65.055 63.100 -0.013 0.000 0.761 158 P CB 0.501 32.181 31.700 -0.035 0.000 0.785 159 G N 1.744 110.576 108.800 0.052 0.000 2.241 159 G HA2 -0.041 3.929 3.960 0.017 0.000 0.244 159 G HA3 -0.041 3.929 3.960 0.017 0.000 0.244 159 G C 0.507 175.504 174.900 0.162 0.000 0.998 159 G CA 0.293 45.487 45.100 0.156 0.000 0.621 159 G HN 1.001 nan 8.290 nan 0.000 0.519 160 G N -1.331 107.484 108.800 0.026 0.000 2.492 160 G HA2 0.523 4.493 3.960 0.017 0.000 0.065 160 G HA3 0.523 4.493 3.960 0.017 0.000 0.065 160 G C -1.186 173.371 174.900 -0.572 0.000 0.956 160 G CA 0.207 45.123 45.100 -0.307 0.000 1.223 160 G HN 0.947 nan 8.290 nan 0.000 0.511 161 Y N 0.027 120.281 120.300 -0.076 0.000 2.492 161 Y HA 0.780 5.338 4.550 0.014 0.000 0.346 161 Y C 0.097 175.929 175.900 -0.113 0.000 0.997 161 Y CA -0.701 57.355 58.100 -0.074 0.000 1.025 161 Y CB 2.597 41.004 38.460 -0.088 0.000 1.263 161 Y HN 0.459 nan 8.280 nan 0.000 0.454 162 S N 2.488 118.234 115.700 0.076 0.000 2.449 162 S HA 0.710 5.190 4.470 0.017 0.000 0.310 162 S C -1.352 173.191 174.600 -0.094 0.000 1.096 162 S CA -0.439 57.771 58.200 0.017 0.000 1.095 162 S CB 0.228 63.457 63.200 0.049 0.000 1.007 162 S HN 0.474 nan 8.310 nan 0.000 0.474 163 L N 3.757 124.885 121.223 -0.159 0.000 2.322 163 L HA 0.596 4.946 4.340 0.017 0.000 0.281 163 L C -0.244 176.539 176.870 -0.145 0.000 1.014 163 L CA 0.117 54.820 54.840 -0.227 0.000 0.815 163 L CB 1.979 43.824 42.059 -0.356 0.000 1.247 163 L HN 0.554 nan 8.230 nan 0.000 0.421 164 S N 1.394 117.021 115.700 -0.122 0.000 2.672 164 S HA 0.935 5.415 4.470 0.017 0.000 0.291 164 S C -0.196 174.357 174.600 -0.079 0.000 1.145 164 S CA -0.419 57.729 58.200 -0.087 0.000 1.013 164 S CB 1.775 64.940 63.200 -0.059 0.000 1.017 164 S HN 0.963 nan 8.310 nan 0.000 0.487 165 G N 1.068 109.824 108.800 -0.074 0.000 2.315 165 G HA2 0.540 4.510 3.960 0.017 0.000 0.294 165 G HA3 0.540 4.510 3.960 0.017 0.000 0.294 165 G C -1.692 173.174 174.900 -0.057 0.000 1.300 165 G CA -0.476 44.589 45.100 -0.058 0.000 0.843 165 G HN 0.671 nan 8.290 nan 0.000 0.527 166 S N -0.448 115.227 115.700 -0.042 0.000 2.649 166 S HA 0.632 5.113 4.470 0.017 0.000 0.274 166 S C -1.140 173.446 174.600 -0.023 0.000 1.176 166 S CA -0.726 57.450 58.200 -0.040 0.000 0.988 166 S CB 1.123 64.300 63.200 -0.038 0.000 1.071 166 S HN 0.572 nan 8.310 nan 0.000 0.478 167 K N 2.657 123.045 120.400 -0.021 0.000 2.259 167 K HA 0.588 4.918 4.320 0.017 0.000 0.252 167 K C -0.733 175.862 176.600 -0.009 0.000 0.936 167 K CA -0.816 55.474 56.287 0.004 0.000 0.810 167 K CB 1.779 34.292 32.500 0.021 0.000 1.143 167 K HN 0.571 nan 8.250 nan 0.000 0.427 168 M N 0.810 120.419 119.600 0.015 0.000 2.598 168 M HA 0.314 4.804 4.480 0.017 0.000 0.317 168 M C -1.263 175.095 176.300 0.097 0.000 1.179 168 M CA -0.149 55.120 55.300 -0.052 0.000 0.936 168 M CB 0.843 33.417 32.600 -0.043 0.000 1.713 168 M HN 0.618 nan 8.290 nan 0.000 0.460 169 W N 4.235 125.563 121.300 0.048 0.000 5.563 169 W HA -0.170 4.500 4.660 0.016 0.000 0.396 169 W C -0.838 175.724 176.519 0.072 0.000 1.519 169 W CA -0.255 57.131 57.345 0.068 0.000 0.953 169 W CB -1.630 27.873 29.460 0.071 0.000 2.691 169 W HN 0.341 nan 8.180 nan 0.000 1.444 170 I N 1.430 122.127 120.570 0.213 0.000 2.291 170 I HA 0.137 4.317 4.170 0.017 0.000 0.290 170 I C 1.186 177.417 176.117 0.191 0.000 1.050 170 I CA -0.190 61.226 61.300 0.194 0.000 1.245 170 I CB 0.241 38.328 38.000 0.146 0.000 1.405 170 I HN 0.026 nan 8.210 nan 0.000 0.478 171 T N 4.949 119.639 114.554 0.227 0.000 2.901 171 T HA 0.142 4.503 4.350 0.017 0.000 0.301 171 T C 0.967 175.768 174.700 0.169 0.000 1.012 171 T CA 0.318 62.548 62.100 0.217 0.000 1.135 171 T CB 0.377 69.400 68.868 0.258 0.000 0.936 171 T HN 0.681 nan 8.240 nan 0.000 0.539 172 N N 1.179 119.971 118.700 0.153 0.000 2.946 172 N HA -0.240 4.510 4.740 0.017 0.000 0.207 172 N C 1.390 176.887 175.510 -0.023 0.000 0.906 172 N CA 1.827 54.929 53.050 0.087 0.000 1.035 172 N CB -2.013 36.501 38.487 0.044 0.000 0.998 172 N HN 0.828 nan 8.380 nan 0.000 0.595 173 S N 0.733 116.439 115.700 0.009 0.000 2.374 173 S HA -0.053 4.427 4.470 0.017 0.000 0.227 173 S C -0.826 173.812 174.600 0.065 0.000 1.037 173 S CA 1.825 60.032 58.200 0.012 0.000 1.024 173 S CB -0.825 62.451 63.200 0.127 0.000 0.861 173 S HN 0.295 nan 8.310 nan 0.000 0.456 174 P HA 0.132 nan 4.420 nan 0.000 0.226 174 P C 1.209 178.546 177.300 0.061 0.000 1.153 174 P CA 0.810 63.954 63.100 0.073 0.000 0.777 174 P CB -0.271 31.460 31.700 0.052 0.000 0.794 175 I N -6.268 114.312 120.570 0.017 0.000 4.082 175 I HA 0.461 4.642 4.170 0.017 0.000 0.337 175 I C 0.538 176.584 176.117 -0.119 0.000 1.352 175 I CA -0.703 60.590 61.300 -0.011 0.000 1.097 175 I CB 0.053 38.070 38.000 0.027 0.000 1.048 175 I HN -0.294 nan 8.210 nan 0.000 0.393 176 A N 1.435 124.127 122.820 -0.215 0.000 2.388 176 A HA 0.291 4.621 4.320 0.017 0.000 0.257 176 A C 0.425 177.796 177.584 -0.356 0.000 1.095 176 A CA -0.217 51.552 52.037 -0.445 0.000 0.791 176 A CB 0.321 18.821 19.000 -0.833 0.000 1.029 176 A HN 0.352 nan 8.150 nan 0.000 0.489 177 D N 0.402 120.600 120.400 -0.337 0.000 2.338 177 D HA 0.132 4.782 4.640 0.017 0.000 0.208 177 D C -0.183 175.932 176.300 -0.309 0.000 0.997 177 D CA 1.019 54.843 54.000 -0.293 0.000 0.880 177 D CB 0.595 41.147 40.800 -0.413 0.000 0.980 177 D HN 0.235 nan 8.370 nan 0.000 0.509 178 V N 1.260 120.950 119.914 -0.374 0.000 2.588 178 V HA 0.358 4.488 4.120 0.017 0.000 0.304 178 V C -1.025 174.831 176.094 -0.396 0.000 1.042 178 V CA -0.728 61.418 62.300 -0.257 0.000 0.877 178 V CB 1.948 33.672 31.823 -0.165 0.000 0.996 178 V HN -0.122 nan 8.190 nan 0.000 0.425 179 F N 3.127 122.970 119.950 -0.179 0.000 2.445 179 F HA 0.510 5.046 4.527 0.016 0.000 0.348 179 F C 0.045 175.729 175.800 -0.194 0.000 1.125 179 F CA -0.897 57.017 58.000 -0.144 0.000 0.983 179 F CB 1.969 40.888 39.000 -0.136 0.000 1.198 179 F HN 0.182 nan 8.300 nan 0.000 0.436 180 V N 5.191 125.071 119.914 -0.058 0.000 2.339 180 V HA 0.233 4.363 4.120 0.017 0.000 0.261 180 V C -0.136 175.750 176.094 -0.346 0.000 1.058 180 V CA -0.517 61.652 62.300 -0.218 0.000 0.897 180 V CB 0.694 32.427 31.823 -0.150 0.000 1.052 180 V HN 0.461 nan 8.190 nan 0.000 0.480 181 V N 4.805 124.522 119.914 -0.328 0.000 2.370 181 V HA 0.384 4.514 4.120 0.017 0.000 0.283 181 V C -0.503 175.412 176.094 -0.299 0.000 1.023 181 V CA -0.778 61.370 62.300 -0.253 0.000 0.857 181 V CB 1.321 33.078 31.823 -0.110 0.000 0.985 181 V HN 0.870 nan 8.190 nan 0.000 0.443 182 W N 3.954 125.208 121.300 -0.076 0.000 2.335 182 W HA 0.696 5.364 4.660 0.013 0.000 0.306 182 W C 0.282 176.814 176.519 0.022 0.000 1.216 182 W CA -0.101 57.229 57.345 -0.026 0.000 1.237 182 W CB 1.093 30.481 29.460 -0.120 0.000 1.243 182 W HN 0.664 nan 8.180 nan 0.000 0.493 183 A N 3.168 126.187 122.820 0.332 0.000 2.498 183 A HA 0.681 5.012 4.320 0.017 0.000 0.298 183 A C -0.999 176.719 177.584 0.223 0.000 1.075 183 A CA -1.236 50.918 52.037 0.195 0.000 0.714 183 A CB 1.310 20.312 19.000 0.004 0.000 1.299 183 A HN 0.560 nan 8.150 nan 0.000 0.407 184 K N 0.552 121.022 120.400 0.117 0.000 2.312 184 K HA 0.447 4.777 4.320 0.017 0.000 0.287 184 K C -1.148 175.510 176.600 0.097 0.000 1.062 184 K CA -0.149 56.195 56.287 0.096 0.000 0.934 184 K CB 0.992 33.525 32.500 0.055 0.000 1.027 184 K HN 0.505 nan 8.250 nan 0.000 0.478 185 L N 2.749 124.040 121.223 0.114 0.000 2.346 185 L HA 0.323 4.674 4.340 0.017 0.000 0.276 185 L C -1.100 175.820 176.870 0.084 0.000 1.006 185 L CA -0.369 54.542 54.840 0.119 0.000 0.817 185 L CB 1.840 44.001 42.059 0.170 0.000 1.272 185 L HN 0.529 nan 8.230 nan 0.000 0.421 186 D N 3.461 123.910 120.400 0.080 0.000 2.396 186 D HA 0.360 5.010 4.640 0.017 0.000 0.225 186 D C -0.880 175.458 176.300 0.063 0.000 1.121 186 D CA 0.071 54.106 54.000 0.058 0.000 0.853 186 D CB 0.635 41.462 40.800 0.046 0.000 1.043 186 D HN 0.625 nan 8.370 nan 0.000 0.500 187 E N 2.816 123.047 120.200 0.052 0.000 2.343 187 E HA 0.430 4.791 4.350 0.017 0.000 0.270 187 E C -1.046 175.573 176.600 0.032 0.000 0.895 187 E CA -0.963 55.466 56.400 0.049 0.000 0.767 187 E CB 1.865 31.600 29.700 0.057 0.000 1.248 187 E HN 0.456 nan 8.360 nan 0.000 0.440 193 I N 3.770 124.354 120.570 0.023 0.000 2.452 193 I HA 0.275 4.456 4.170 0.017 0.000 0.287 193 I C 0.113 176.282 176.117 0.087 0.000 1.079 193 I CA -0.143 61.197 61.300 0.066 0.000 1.387 193 I CB 0.247 38.263 38.000 0.027 0.000 1.404 193 I HN 0.146 nan 8.210 nan 0.000 0.522 194 R N 4.537 125.112 120.500 0.124 0.000 2.740 194 R HA 0.571 4.921 4.340 0.017 0.000 0.282 194 R C -0.217 176.004 176.300 -0.133 0.000 0.969 194 R CA -0.978 55.079 56.100 -0.071 0.000 0.918 194 R CB 1.858 31.950 30.300 -0.346 0.000 1.175 194 R HN 0.733 nan 8.270 nan 0.000 0.464 195 G N 1.795 110.331 108.800 -0.439 0.000 2.332 195 G HA2 0.593 4.563 3.960 0.017 0.000 0.310 195 G HA3 0.593 4.563 3.960 0.017 0.000 0.310 195 G C -0.992 173.303 174.900 -1.008 0.000 1.123 195 G CA -0.222 44.293 45.100 -0.975 0.000 0.873 195 G HN 0.292 nan 8.290 nan 0.000 0.460 196 F N 0.723 120.340 119.950 -0.555 0.000 2.532 196 F HA 0.512 5.052 4.527 0.021 0.000 0.321 196 F C 0.254 175.830 175.800 -0.373 0.000 1.089 196 F CA -0.860 56.900 58.000 -0.400 0.000 0.926 196 F CB 2.432 41.230 39.000 -0.336 0.000 1.168 196 F HN 0.184 nan 8.300 nan 0.000 0.459 197 I N 4.080 124.568 120.570 -0.138 0.000 2.321 197 I HA 0.372 4.552 4.170 0.017 0.000 0.291 197 I C -0.929 175.111 176.117 -0.128 0.000 0.998 197 I CA -0.428 60.741 61.300 -0.218 0.000 1.227 197 I CB 1.074 38.830 38.000 -0.408 0.000 1.368 197 I HN 0.339 nan 8.210 nan 0.000 0.466 198 L N 6.547 127.717 121.223 -0.088 0.000 2.319 198 L HA 0.531 4.882 4.340 0.017 0.000 0.267 198 L C -0.232 176.654 176.870 0.026 0.000 1.011 198 L CA -0.403 54.400 54.840 -0.062 0.000 0.818 198 L CB 1.665 43.635 42.059 -0.149 0.000 1.316 198 L HN 0.500 nan 8.230 nan 0.000 0.432 199 E N 0.553 120.745 120.200 -0.013 0.000 2.227 199 E HA 0.320 4.681 4.350 0.017 0.000 0.268 199 E C -1.107 175.491 176.600 -0.002 0.000 0.907 199 E CA -1.144 55.253 56.400 -0.006 0.000 0.786 199 E CB 2.119 31.772 29.700 -0.079 0.000 1.191 199 E HN 0.316 nan 8.360 nan 0.000 0.411 200 K N 0.388 120.832 120.400 0.073 0.000 2.550 200 K HA -0.038 4.292 4.320 0.017 0.000 0.280 200 K C 0.749 177.335 176.600 -0.023 0.000 0.987 200 K CA 1.520 57.855 56.287 0.080 0.000 1.048 200 K CB -0.014 32.526 32.500 0.067 0.000 0.879 200 K HN 0.769 nan 8.250 nan 0.000 0.491 201 G N 2.539 111.313 108.800 -0.044 0.000 2.175 201 G HA2 -0.301 3.669 3.960 0.017 0.000 0.244 201 G HA3 -0.301 3.669 3.960 0.017 0.000 0.244 201 G C 0.302 175.171 174.900 -0.053 0.000 0.982 201 G CA -0.022 45.054 45.100 -0.039 0.000 0.641 201 G HN 0.837 nan 8.290 nan 0.000 0.527 202 C N 2.228 121.475 119.300 -0.087 0.000 2.596 202 C HA 0.440 4.911 4.460 0.017 0.000 0.414 202 C C 1.364 176.309 174.990 -0.075 0.000 1.396 202 C CA -0.291 58.680 59.018 -0.078 0.000 1.698 202 C CB -0.487 27.176 27.740 -0.128 0.000 2.572 202 C HN 0.440 nan 8.230 nan 0.000 0.604 203 K N 3.888 124.269 120.400 -0.031 0.000 2.412 203 K HA 0.333 4.663 4.320 0.017 0.000 0.281 203 K C 1.198 177.771 176.600 -0.045 0.000 1.027 203 K CA 1.157 57.426 56.287 -0.030 0.000 0.989 203 K CB 0.422 32.918 32.500 -0.007 0.000 0.935 203 K HN 1.199 nan 8.250 nan 0.000 0.475 204 G N 2.191 110.955 108.800 -0.060 0.000 2.136 204 G HA2 -0.245 3.725 3.960 0.017 0.000 0.242 204 G HA3 -0.245 3.725 3.960 0.017 0.000 0.242 204 G C -0.503 174.329 174.900 -0.113 0.000 0.989 204 G CA 0.129 45.187 45.100 -0.072 0.000 0.682 204 G HN 0.480 nan 8.290 nan 0.000 0.522 205 L N 1.568 122.704 121.223 -0.145 0.000 2.356 205 L HA 0.865 5.215 4.340 0.017 0.000 0.277 205 L C 0.012 176.764 176.870 -0.196 0.000 0.996 205 L CA -0.210 54.495 54.840 -0.225 0.000 0.822 205 L CB 2.088 43.939 42.059 -0.347 0.000 1.256 205 L HN 0.660 nan 8.230 nan 0.000 0.413 206 S N 3.363 118.959 115.700 -0.174 0.000 2.570 206 S HA 0.931 5.411 4.470 0.017 0.000 0.286 206 S C -0.422 174.123 174.600 -0.091 0.000 1.099 206 S CA -0.247 57.886 58.200 -0.113 0.000 0.913 206 S CB 1.893 65.049 63.200 -0.072 0.000 1.085 206 S HN 1.116 nan 8.310 nan 0.000 0.480 207 A N 2.057 124.862 122.820 -0.025 0.000 3.297 207 A HA 0.589 4.919 4.320 0.017 0.000 0.304 207 A C -2.770 174.832 177.584 0.030 0.000 0.963 207 A CA -1.401 50.662 52.037 0.043 0.000 0.935 207 A CB -0.086 19.027 19.000 0.188 0.000 1.093 207 A HN 0.624 nan 8.150 nan 0.000 0.480 208 P HA 0.313 nan 4.420 nan 0.000 0.268 208 P C 0.218 177.498 177.300 -0.034 0.000 1.205 208 P CA 0.358 63.451 63.100 -0.012 0.000 0.771 208 P CB 1.101 32.784 31.700 -0.028 0.000 0.858 209 A N 3.856 126.661 122.820 -0.026 0.000 2.322 209 A HA 0.468 4.798 4.320 0.017 0.000 0.269 209 A C 0.240 177.715 177.584 -0.182 0.000 1.094 209 A CA -0.606 51.367 52.037 -0.107 0.000 0.807 209 A CB -0.123 18.816 19.000 -0.102 0.000 1.047 209 A HN 0.520 nan 8.150 nan 0.000 0.487 210 I N 1.380 121.777 120.570 -0.289 0.000 2.354 210 I HA 0.353 4.533 4.170 0.017 0.000 0.292 210 I C -0.240 175.655 176.117 -0.370 0.000 0.989 210 I CA -0.062 61.074 61.300 -0.272 0.000 1.188 210 I CB 1.152 38.956 38.000 -0.327 0.000 1.342 210 I HN 0.754 nan 8.210 nan 0.000 0.457 211 H N 2.761 121.838 119.070 0.013 0.000 2.771 211 H HA 0.629 5.196 4.556 0.017 0.000 0.367 211 H C 0.577 175.933 175.328 0.047 0.000 1.172 211 H CA -0.156 55.913 56.048 0.034 0.000 1.186 211 H CB 1.978 31.753 29.762 0.021 0.000 1.790 211 H HN 0.755 nan 8.280 nan 0.000 0.556 212 G N 1.274 110.185 108.800 0.184 0.000 2.165 212 G HA2 -0.247 3.723 3.960 0.017 0.000 0.226 212 G HA3 -0.247 3.723 3.960 0.017 0.000 0.226 212 G C -0.266 174.694 174.900 0.100 0.000 1.035 212 G CA -0.406 44.760 45.100 0.109 0.000 0.744 212 G HN 0.445 nan 8.290 nan 0.000 0.501 213 K N -0.414 120.041 120.400 0.092 0.000 2.258 213 K HA 0.437 4.767 4.320 0.017 0.000 0.264 213 K C 1.532 178.123 176.600 -0.015 0.000 1.007 213 K CA -0.088 56.248 56.287 0.082 0.000 0.941 213 K CB 1.624 34.171 32.500 0.078 0.000 0.966 213 K HN 0.018 nan 8.250 nan 0.000 0.480 214 V N 1.245 121.148 119.914 -0.018 0.000 2.300 214 V HA -0.030 4.100 4.120 0.017 0.000 0.241 214 V C 1.165 177.247 176.094 -0.020 0.000 1.034 214 V CA 1.535 63.821 62.300 -0.024 0.000 1.021 214 V CB -0.196 31.620 31.823 -0.012 0.000 0.662 214 V HN 0.937 nan 8.190 nan 0.000 0.458 215 G N -1.544 107.234 108.800 -0.037 0.000 2.491 215 G HA2 0.520 4.490 3.960 0.017 0.000 0.327 215 G HA3 0.520 4.490 3.960 0.017 0.000 0.327 215 G C -0.126 174.760 174.900 -0.023 0.000 1.189 215 G CA -0.687 44.421 45.100 0.013 0.000 0.956 215 G HN 0.369 nan 8.290 nan 0.000 0.491 216 L N -0.932 120.332 121.223 0.069 0.000 3.717 216 L HA -0.235 4.115 4.340 0.017 0.000 0.414 216 L C 2.148 178.999 176.870 -0.033 0.000 1.228 216 L CA 0.098 54.958 54.840 0.034 0.000 0.918 216 L CB -1.023 41.023 42.059 -0.021 0.000 1.865 216 L HN 0.682 nan 8.230 nan 0.000 0.922 217 R N 0.462 120.835 120.500 -0.212 0.000 2.193 217 R HA -0.050 4.300 4.340 0.017 0.000 0.229 217 R C 2.119 178.309 176.300 -0.183 0.000 1.110 217 R CA 1.281 57.155 56.100 -0.375 0.000 0.988 217 R CB -0.135 29.577 30.300 -0.979 0.000 0.871 217 R HN 0.587 nan 8.270 nan 0.000 0.458 218 A N 1.181 123.947 122.820 -0.090 0.000 2.235 218 A HA -0.014 4.316 4.320 0.017 0.000 0.208 218 A C 0.830 178.387 177.584 -0.046 0.000 1.172 218 A CA 0.423 52.398 52.037 -0.104 0.000 0.786 218 A CB -0.016 18.768 19.000 -0.360 0.000 0.804 218 A HN 0.286 nan 8.150 nan 0.000 0.479 219 S N -0.753 114.952 115.700 0.008 0.000 2.482 219 S HA 0.666 5.147 4.470 0.017 0.000 0.303 219 S C -0.448 174.218 174.600 0.111 0.000 1.091 219 S CA -0.739 57.517 58.200 0.095 0.000 1.057 219 S CB 1.204 64.471 63.200 0.112 0.000 1.031 219 S HN 0.334 nan 8.310 nan 0.000 0.485 220 I N 2.971 123.628 120.570 0.145 0.000 2.474 220 I HA 0.469 4.649 4.170 0.017 0.000 0.287 220 I C -0.603 175.582 176.117 0.112 0.000 1.048 220 I CA 0.395 61.759 61.300 0.107 0.000 1.383 220 I CB 1.144 39.218 38.000 0.122 0.000 1.412 220 I HN 0.848 nan 8.210 nan 0.000 0.531 221 T N 4.931 119.522 114.554 0.063 0.000 2.900 221 T HA 0.774 5.134 4.350 0.017 0.000 0.303 221 T C -0.246 174.456 174.700 0.003 0.000 1.142 221 T CA -0.534 61.631 62.100 0.108 0.000 1.007 221 T CB 1.830 70.844 68.868 0.244 0.000 1.156 221 T HN 0.883 nan 8.240 nan 0.000 0.490 222 G N 0.659 109.464 108.800 0.008 0.000 2.664 222 G HA2 0.644 4.614 3.960 0.017 0.000 0.303 222 G HA3 0.644 4.614 3.960 0.017 0.000 0.303 222 G C -1.695 173.160 174.900 -0.075 0.000 1.243 222 G CA -0.695 44.362 45.100 -0.072 0.000 0.826 222 G HN 0.625 nan 8.290 nan 0.000 0.498 223 E N -0.945 119.213 120.200 -0.071 0.000 2.232 223 E HA 0.623 4.983 4.350 0.017 0.000 0.265 223 E C -0.864 175.742 176.600 0.010 0.000 1.001 223 E CA -0.571 55.792 56.400 -0.062 0.000 0.870 223 E CB 2.473 32.115 29.700 -0.096 0.000 1.175 223 E HN 0.263 nan 8.360 nan 0.000 0.407 224 I N 1.789 122.362 120.570 0.004 0.000 2.410 224 I HA 0.253 4.433 4.170 0.017 0.000 0.286 224 I C -1.059 175.021 176.117 -0.061 0.000 1.009 224 I CA -0.777 60.517 61.300 -0.009 0.000 1.111 224 I CB 1.635 39.654 38.000 0.031 0.000 1.262 224 I HN 0.113 nan 8.210 nan 0.000 0.443 225 V N 7.600 127.460 119.914 -0.090 0.000 2.378 225 V HA 0.440 4.570 4.120 0.017 0.000 0.288 225 V C -0.139 175.886 176.094 -0.116 0.000 1.016 225 V CA -0.461 61.785 62.300 -0.089 0.000 0.840 225 V CB 1.732 33.511 31.823 -0.074 0.000 0.994 225 V HN 0.481 nan 8.190 nan 0.000 0.431 226 L N 4.393 125.549 121.223 -0.111 0.000 2.298 226 L HA 0.595 4.945 4.340 0.017 0.000 0.284 226 L C -0.645 176.168 176.870 -0.095 0.000 1.013 226 L CA -0.293 54.471 54.840 -0.126 0.000 0.824 226 L CB 1.684 43.654 42.059 -0.148 0.000 1.221 226 L HN 0.549 nan 8.230 nan 0.000 0.418 227 D N 3.980 124.328 120.400 -0.086 0.000 2.438 227 D HA 0.167 4.817 4.640 0.017 0.000 0.257 227 D C 0.127 176.396 176.300 -0.053 0.000 1.148 227 D CA -0.334 53.629 54.000 -0.063 0.000 0.902 227 D CB 0.600 41.368 40.800 -0.053 0.000 1.062 227 D HN 0.567 nan 8.370 nan 0.000 0.518 228 E N 1.318 121.488 120.200 -0.050 0.000 2.416 228 E HA -0.216 4.144 4.350 0.017 0.000 0.249 228 E C -0.931 175.662 176.600 -0.013 0.000 1.124 228 E CA 0.599 56.983 56.400 -0.028 0.000 0.732 228 E CB -1.012 28.678 29.700 -0.018 0.000 1.286 228 E HN 0.512 nan 8.360 nan 0.000 0.394 229 A N 1.344 124.134 122.820 -0.050 0.000 2.396 229 A HA 0.373 4.704 4.320 0.017 0.000 0.279 229 A C -0.207 177.373 177.584 -0.007 0.000 1.165 229 A CA -0.126 51.882 52.037 -0.049 0.000 0.824 229 A CB 0.031 18.954 19.000 -0.128 0.000 1.100 229 A HN 0.368 nan 8.150 nan 0.000 0.516 230 F N 4.292 124.195 119.950 -0.078 0.000 2.467 230 F HA 0.468 5.005 4.527 0.018 0.000 0.362 230 F C -0.281 175.500 175.800 -0.032 0.000 1.090 230 F CA -0.136 57.835 58.000 -0.050 0.000 1.202 230 F CB 0.833 39.810 39.000 -0.038 0.000 1.113 230 F HN 0.278 nan 8.300 nan 0.000 0.541 231 V N 8.614 128.032 119.914 -0.828 0.000 2.409 231 V HA 0.349 4.479 4.120 0.017 0.000 0.291 231 V C -2.074 173.500 176.094 -0.867 0.000 1.020 231 V CA -2.047 59.879 62.300 -0.624 0.000 0.848 231 V CB 1.470 33.150 31.823 -0.239 0.000 0.990 231 V HN 0.673 nan 8.190 nan 0.000 0.430 232 P HA 0.029 nan 4.420 nan 0.000 0.270 232 P C 0.883 178.150 177.300 -0.055 0.000 1.221 232 P CA 0.057 62.983 63.100 -0.289 0.000 0.788 232 P CB 0.808 32.471 31.700 -0.061 0.000 0.904 233 E N 1.463 121.675 120.200 0.021 0.000 2.150 233 E HA -0.178 4.183 4.350 0.017 0.000 0.193 233 E C 1.314 177.988 176.600 0.124 0.000 0.985 233 E CA 1.064 57.529 56.400 0.108 0.000 0.814 233 E CB -0.077 29.649 29.700 0.045 0.000 0.752 233 E HN 0.551 nan 8.360 nan 0.000 0.466 234 E N -0.068 120.177 120.200 0.075 0.000 2.463 234 E HA -0.065 4.296 4.350 0.017 0.000 0.191 234 E C 0.466 177.104 176.600 0.064 0.000 1.083 234 E CA 0.242 56.681 56.400 0.064 0.000 0.872 234 E CB -0.143 29.596 29.700 0.065 0.000 0.966 234 E HN 0.029 nan 8.360 nan 0.000 0.491 235 N N 0.692 119.426 118.700 0.058 0.000 2.282 235 N HA 0.195 4.946 4.740 0.017 0.000 0.185 235 N C 0.253 175.733 175.510 -0.050 0.000 1.099 235 N CA -0.125 52.943 53.050 0.029 0.000 0.878 235 N CB 0.692 39.194 38.487 0.025 0.000 0.993 235 N HN 0.293 nan 8.380 nan 0.000 0.481 236 I N 1.278 121.802 120.570 -0.078 0.000 2.474 236 I HA 0.059 4.240 4.170 0.017 0.000 0.287 236 I C -0.612 175.313 176.117 -0.320 0.000 1.048 236 I CA -0.685 60.403 61.300 -0.354 0.000 1.383 236 I CB 0.627 38.339 38.000 -0.481 0.000 1.412 236 I HN -0.198 nan 8.210 nan 0.000 0.531 237 L N 10.566 131.537 121.223 -0.420 0.000 2.433 237 L HA 0.209 4.559 4.340 0.017 0.000 0.275 237 L C -1.677 175.019 176.870 -0.290 0.000 1.128 237 L CA -1.020 53.652 54.840 -0.280 0.000 0.875 237 L CB 0.104 42.022 42.059 -0.234 0.000 1.171 237 L HN 0.500 nan 8.230 nan 0.000 0.463 238 P HA -0.005 nan 4.420 nan 0.000 0.230 238 P C 0.115 177.153 177.300 -0.437 0.000 1.168 238 P CA 0.986 63.803 63.100 -0.472 0.000 0.793 238 P CB 0.227 31.509 31.700 -0.696 0.000 0.851 239 H N -1.700 117.382 119.070 0.020 0.000 2.472 239 H HA 0.514 5.076 4.556 0.011 0.000 0.287 239 H C -0.526 174.819 175.328 0.028 0.000 1.112 239 H CA -0.496 55.583 56.048 0.052 0.000 1.021 239 H CB 0.461 30.283 29.762 0.101 0.000 1.635 239 H HN -0.130 nan 8.280 nan 0.000 0.559 240 V N 0.929 120.820 119.914 -0.038 0.000 2.924 240 V HA 0.350 4.481 4.120 0.017 0.000 0.300 240 V C -1.676 174.321 176.094 -0.160 0.000 1.227 240 V CA -0.708 61.455 62.300 -0.229 0.000 0.954 240 V CB 2.295 33.652 31.823 -0.777 0.000 1.055 240 V HN 0.256 nan 8.190 nan 0.000 0.429 241 K N 3.806 124.122 120.400 -0.141 0.000 2.464 241 K HA 0.799 5.129 4.320 0.017 0.000 0.253 241 K C 0.243 176.782 176.600 -0.101 0.000 0.933 241 K CA 0.006 56.236 56.287 -0.094 0.000 0.801 241 K CB 2.065 34.528 32.500 -0.062 0.000 1.271 241 K HN 1.422 nan 8.250 nan 0.000 0.430 242 G N 1.409 110.163 108.800 -0.077 0.000 2.528 242 G HA2 -0.287 3.683 3.960 0.017 0.000 0.262 242 G HA3 -0.287 3.683 3.960 0.017 0.000 0.262 242 G C 0.425 175.241 174.900 -0.139 0.000 1.200 242 G CA -0.221 44.827 45.100 -0.086 0.000 0.951 242 G HN 0.366 nan 8.290 nan 0.000 0.566 243 L N 0.926 122.068 121.223 -0.136 0.000 2.109 243 L HA 0.093 4.444 4.340 0.017 0.000 0.207 243 L C 2.951 179.738 176.870 -0.140 0.000 1.086 243 L CA 2.375 57.127 54.840 -0.147 0.000 0.760 243 L CB -1.566 40.408 42.059 -0.141 0.000 0.910 243 L HN 0.746 nan 8.230 nan 0.000 0.437 244 R N 0.336 120.752 120.500 -0.140 0.000 2.159 244 R HA -0.145 4.205 4.340 0.017 0.000 0.237 244 R C 2.180 178.449 176.300 -0.051 0.000 1.131 244 R CA 1.327 57.399 56.100 -0.048 0.000 0.982 244 R CB -0.281 29.985 30.300 -0.057 0.000 0.868 244 R HN 0.364 nan 8.270 nan 0.000 0.453 245 G N 1.279 109.882 108.800 -0.329 0.000 2.604 245 G HA2 -0.215 3.755 3.960 0.017 0.000 0.216 245 G HA3 -0.215 3.755 3.960 0.017 0.000 0.216 245 G C -0.993 173.661 174.900 -0.410 0.000 1.265 245 G CA 0.732 45.524 45.100 -0.514 0.000 0.804 245 G HN 0.343 nan 8.290 nan 0.000 0.579 246 P HA -0.092 nan 4.420 nan 0.000 0.218 246 P C 1.613 178.891 177.300 -0.037 0.000 1.148 246 P CA 0.732 63.456 63.100 -0.627 0.000 0.822 246 P CB -0.129 31.111 31.700 -0.767 0.000 0.784 247 F N 0.411 120.282 119.950 -0.131 0.000 2.134 247 F HA -0.179 4.358 4.527 0.016 0.000 0.299 247 F C 1.855 177.695 175.800 0.067 0.000 1.097 247 F CA 1.744 59.733 58.000 -0.018 0.000 1.264 247 F CB -1.001 37.980 39.000 -0.032 0.000 1.001 247 F HN -0.152 nan 8.300 nan 0.000 0.479 248 T N -0.047 114.644 114.554 0.229 0.000 2.821 248 T HA -0.199 4.161 4.350 0.017 0.000 0.267 248 T C 2.108 176.862 174.700 0.089 0.000 1.046 248 T CA 1.503 63.726 62.100 0.205 0.000 1.139 248 T CB -1.031 68.156 68.868 0.530 0.000 0.871 248 T HN 0.429 nan 8.240 nan 0.000 0.454 249 C N 1.257 120.652 119.300 0.159 0.000 2.436 249 C HA 0.058 4.528 4.460 0.017 0.000 0.277 249 C C 2.698 177.633 174.990 -0.091 0.000 1.241 249 C CA 0.285 59.343 59.018 0.067 0.000 1.721 249 C CB -1.491 26.324 27.740 0.125 0.000 2.043 249 C HN 0.493 nan 8.230 nan 0.000 0.472 250 L N 1.291 122.430 121.223 -0.140 0.000 2.083 250 L HA -0.144 4.206 4.340 0.017 0.000 0.209 250 L C 2.410 179.181 176.870 -0.165 0.000 1.083 250 L CA 1.763 56.509 54.840 -0.157 0.000 0.752 250 L CB -0.804 41.193 42.059 -0.104 0.000 0.899 250 L HN 0.436 nan 8.230 nan 0.000 0.433 251 N N -0.610 117.905 118.700 -0.309 0.000 2.120 251 N HA -0.211 4.539 4.740 0.017 0.000 0.188 251 N C 2.052 177.523 175.510 -0.066 0.000 1.024 251 N CA 1.454 54.334 53.050 -0.284 0.000 0.852 251 N CB -0.015 38.183 38.487 -0.482 0.000 1.003 251 N HN 0.133 nan 8.380 nan 0.000 0.424 252 S N -0.766 114.935 115.700 0.001 0.000 2.356 252 S HA -0.051 4.429 4.470 0.017 0.000 0.223 252 S C 1.963 176.708 174.600 0.241 0.000 1.032 252 S CA 1.319 59.618 58.200 0.166 0.000 1.005 252 S CB -0.678 62.633 63.200 0.184 0.000 0.867 252 S HN 0.507 nan 8.310 nan 0.000 0.449 253 A N 1.716 124.608 122.820 0.120 0.000 1.902 253 A HA -0.086 4.244 4.320 0.017 0.000 0.217 253 A C 2.213 179.843 177.584 0.076 0.000 1.181 253 A CA 1.494 53.596 52.037 0.108 0.000 0.623 253 A CB -0.664 18.340 19.000 0.007 0.000 0.818 253 A HN 0.619 nan 8.150 nan 0.000 0.443 254 R N -2.128 118.398 120.500 0.044 0.000 2.105 254 R HA -0.198 4.152 4.340 0.017 0.000 0.239 254 R C 2.154 178.468 176.300 0.024 0.000 1.135 254 R CA 1.818 57.927 56.100 0.016 0.000 0.967 254 R CB -0.578 29.713 30.300 -0.015 0.000 0.861 254 R HN 0.759 nan 8.270 nan 0.000 0.442 255 Y N 0.753 121.031 120.300 -0.037 0.000 2.181 255 Y HA -0.170 4.391 4.550 0.018 0.000 0.288 255 Y C 2.319 178.208 175.900 -0.019 0.000 1.146 255 Y CA 1.686 59.775 58.100 -0.018 0.000 1.164 255 Y CB -0.526 37.932 38.460 -0.003 0.000 0.982 255 Y HN 0.051 nan 8.280 nan 0.000 0.515 256 G N 0.495 109.141 108.800 -0.258 0.000 2.418 256 G HA2 -0.257 3.713 3.960 0.017 0.000 0.217 256 G HA3 -0.257 3.713 3.960 0.017 0.000 0.217 256 G C 1.635 176.410 174.900 -0.209 0.000 1.158 256 G CA 1.310 46.118 45.100 -0.486 0.000 0.771 256 G HN 0.513 nan 8.290 nan 0.000 0.545 257 I N 1.480 121.992 120.570 -0.096 0.000 2.361 257 I HA -0.173 4.007 4.170 0.017 0.000 0.251 257 I C 3.221 179.290 176.117 -0.080 0.000 1.133 257 I CA 0.895 62.167 61.300 -0.048 0.000 1.413 257 I CB -0.113 37.884 38.000 -0.006 0.000 1.073 257 I HN 0.238 nan 8.210 nan 0.000 0.424 258 A N -0.006 122.733 122.820 -0.136 0.000 1.933 258 A HA -0.211 4.119 4.320 0.017 0.000 0.218 258 A C 1.978 179.424 177.584 -0.231 0.000 1.175 258 A CA 1.322 53.242 52.037 -0.196 0.000 0.628 258 A CB -0.927 17.928 19.000 -0.241 0.000 0.814 258 A HN 0.521 nan 8.150 nan 0.000 0.444 259 W N -0.304 120.795 121.300 -0.336 0.000 2.407 259 W HA 0.100 4.769 4.660 0.016 0.000 0.305 259 W C 2.590 179.002 176.519 -0.179 0.000 1.196 259 W CA 1.208 58.388 57.345 -0.275 0.000 1.311 259 W CB -0.721 28.521 29.460 -0.364 0.000 1.135 259 W HN 0.350 nan 8.180 nan 0.000 0.514 260 G N 0.314 109.164 108.800 0.082 0.000 2.446 260 G HA2 -0.294 3.676 3.960 0.017 0.000 0.217 260 G HA3 -0.294 3.676 3.960 0.017 0.000 0.217 260 G C 1.666 176.573 174.900 0.011 0.000 1.168 260 G CA 1.770 46.897 45.100 0.045 0.000 0.771 260 G HN 0.316 nan 8.290 nan 0.000 0.551 261 A N 0.523 123.330 122.820 -0.023 0.000 1.958 261 A HA -0.042 4.288 4.320 0.017 0.000 0.221 261 A C 2.416 179.959 177.584 -0.068 0.000 1.178 261 A CA 1.617 53.625 52.037 -0.048 0.000 0.642 261 A CB -0.415 18.546 19.000 -0.065 0.000 0.816 261 A HN 0.399 nan 8.150 nan 0.000 0.453 262 L N -1.122 120.059 121.223 -0.070 0.000 2.313 262 L HA -0.005 4.345 4.340 0.017 0.000 0.214 262 L C 2.710 179.556 176.870 -0.040 0.000 1.119 262 L CA 0.570 55.363 54.840 -0.078 0.000 0.809 262 L CB -0.593 41.394 42.059 -0.119 0.000 0.933 262 L HN 0.479 nan 8.230 nan 0.000 0.449 263 G N 0.003 108.798 108.800 -0.007 0.000 2.414 263 G HA2 -0.240 3.730 3.960 0.017 0.000 0.215 263 G HA3 -0.240 3.730 3.960 0.017 0.000 0.215 263 G C 1.816 176.662 174.900 -0.089 0.000 1.188 263 G CA 0.780 45.879 45.100 -0.001 0.000 0.783 263 G HN 0.415 nan 8.290 nan 0.000 0.537 264 A N 1.374 124.114 122.820 -0.133 0.000 1.873 264 A HA 0.090 4.420 4.320 0.017 0.000 0.218 264 A C 2.842 180.215 177.584 -0.353 0.000 1.193 264 A CA 2.794 54.628 52.037 -0.338 0.000 0.629 264 A CB -1.014 17.877 19.000 -0.183 0.000 0.826 264 A HN 0.943 nan 8.150 nan 0.000 0.447 265 A N -0.667 122.045 122.820 -0.179 0.000 1.933 265 A HA -0.182 4.148 4.320 0.017 0.000 0.218 265 A C 1.941 179.487 177.584 -0.063 0.000 1.175 265 A CA 1.712 53.678 52.037 -0.118 0.000 0.628 265 A CB -0.522 18.421 19.000 -0.095 0.000 0.814 265 A HN 0.672 nan 8.150 nan 0.000 0.444 266 E N -0.278 119.878 120.200 -0.072 0.000 2.072 266 E HA -0.106 4.254 4.350 0.017 0.000 0.191 266 E C 2.322 178.754 176.600 -0.280 0.000 0.985 266 E CA 1.172 57.518 56.400 -0.090 0.000 0.801 266 E CB -0.126 29.521 29.700 -0.088 0.000 0.750 266 E HN 0.590 nan 8.360 nan 0.000 0.452 267 S N 0.440 116.016 115.700 -0.205 0.000 2.359 267 S HA -0.185 4.295 4.470 0.017 0.000 0.224 267 S C 2.204 176.763 174.600 -0.068 0.000 1.035 267 S CA 1.107 59.228 58.200 -0.132 0.000 1.018 267 S CB -0.326 62.755 63.200 -0.200 0.000 0.876 267 S HN 0.406 nan 8.310 nan 0.000 0.448 268 C N 0.184 119.415 119.300 -0.114 0.000 2.429 268 C HA -0.079 4.391 4.460 0.017 0.000 0.277 268 C C 2.253 177.301 174.990 0.097 0.000 1.262 268 C CA 0.104 59.118 59.018 -0.006 0.000 1.733 268 C CB -1.516 26.205 27.740 -0.032 0.000 2.010 268 C HN 0.852 nan 8.230 nan 0.000 0.483 269 W N 1.477 122.719 121.300 -0.097 0.000 2.355 269 W HA -0.131 4.539 4.660 0.017 0.000 0.309 269 W C 2.414 178.986 176.519 0.089 0.000 1.206 269 W CA 1.796 59.121 57.345 -0.034 0.000 1.284 269 W CB -1.220 28.199 29.460 -0.068 0.000 1.145 269 W HN 0.521 nan 8.180 nan 0.000 0.502 270 H N -0.698 118.331 119.070 -0.068 0.000 2.321 270 H HA -0.165 4.402 4.556 0.017 0.000 0.300 270 H C 2.321 177.605 175.328 -0.074 0.000 1.087 270 H CA 1.924 57.863 56.048 -0.182 0.000 1.319 270 H CB -0.281 29.423 29.762 -0.097 0.000 1.379 270 H HN 0.110 nan 8.280 nan 0.000 0.501 271 I N 0.712 121.352 120.570 0.116 0.000 2.208 271 I HA -0.285 3.895 4.170 0.017 0.000 0.245 271 I C 2.778 178.934 176.117 0.065 0.000 1.097 271 I CA 0.963 62.306 61.300 0.070 0.000 1.363 271 I CB -0.265 37.761 38.000 0.043 0.000 1.051 271 I HN 0.309 nan 8.210 nan 0.000 0.413 272 A N 0.503 123.364 122.820 0.067 0.000 1.930 272 A HA -0.216 4.114 4.320 0.017 0.000 0.217 272 A C 2.463 180.116 177.584 0.115 0.000 1.175 272 A CA 1.496 53.582 52.037 0.082 0.000 0.627 272 A CB -0.590 18.465 19.000 0.090 0.000 0.815 272 A HN 0.339 nan 8.150 nan 0.000 0.443 273 R N -0.890 119.646 120.500 0.061 0.000 2.073 273 R HA -0.202 4.148 4.340 0.017 0.000 0.234 273 R C 2.378 178.645 176.300 -0.055 0.000 1.134 273 R CA 1.944 58.022 56.100 -0.038 0.000 0.952 273 R CB -0.253 29.910 30.300 -0.227 0.000 0.850 273 R HN 0.520 nan 8.270 nan 0.000 0.433 274 Q N -0.367 119.415 119.800 -0.030 0.000 2.079 274 Q HA -0.203 4.147 4.340 0.017 0.000 0.200 274 Q C 1.726 177.731 176.000 0.009 0.000 0.974 274 Q CA 1.828 57.616 55.803 -0.026 0.000 0.840 274 Q CB -0.575 28.159 28.738 -0.005 0.000 0.898 274 Q HN 0.455 nan 8.270 nan 0.000 0.430 275 Y N 0.200 120.468 120.300 -0.054 0.000 2.069 275 Y HA -0.290 4.270 4.550 0.017 0.000 0.278 275 Y C 2.037 177.911 175.900 -0.044 0.000 1.175 275 Y CA 2.395 60.465 58.100 -0.051 0.000 1.134 275 Y CB -0.536 37.885 38.460 -0.064 0.000 0.965 275 Y HN 0.126 nan 8.280 nan 0.000 0.498 276 V N -2.378 117.554 119.914 0.030 0.000 2.759 276 V HA -0.162 3.968 4.120 0.017 0.000 0.256 276 V C 2.072 178.105 176.094 -0.103 0.000 1.080 276 V CA 1.367 63.642 62.300 -0.043 0.000 1.101 276 V CB -0.898 30.956 31.823 0.051 0.000 0.698 276 V HN 0.346 nan 8.190 nan 0.000 0.477 277 L N 1.446 122.608 121.223 -0.102 0.000 2.056 277 L HA -0.005 4.346 4.340 0.017 0.000 0.207 277 L C 2.166 178.963 176.870 -0.122 0.000 1.078 277 L CA 1.989 56.766 54.840 -0.106 0.000 0.749 277 L CB -1.177 40.820 42.059 -0.104 0.000 0.901 277 L HN 0.396 nan 8.230 nan 0.000 0.433 278 D N -1.364 118.942 120.400 -0.158 0.000 2.347 278 D HA -0.010 4.640 4.640 0.017 0.000 0.213 278 D C 0.983 177.159 176.300 -0.207 0.000 0.985 278 D CA 0.281 54.185 54.000 -0.159 0.000 0.879 278 D CB 0.106 40.819 40.800 -0.144 0.000 0.919 278 D HN 0.072 nan 8.370 nan 0.000 0.526 279 R N 0.670 120.999 120.500 -0.285 0.000 2.460 279 R HA 0.426 4.776 4.340 0.017 0.000 0.303 279 R C -0.856 175.339 176.300 -0.175 0.000 0.968 279 R CA -0.465 55.449 56.100 -0.310 0.000 0.889 279 R CB 0.927 30.868 30.300 -0.598 0.000 1.123 279 R HN -0.360 nan 8.270 nan 0.000 0.455 280 K N 1.782 122.105 120.400 -0.129 0.000 2.221 280 K HA 0.466 4.796 4.320 0.017 0.000 0.243 280 K C -1.297 175.261 176.600 -0.071 0.000 0.968 280 K CA -0.663 55.577 56.287 -0.078 0.000 0.846 280 K CB 2.027 34.489 32.500 -0.064 0.000 1.141 280 K HN 0.538 nan 8.250 nan 0.000 0.434 281 Q N 1.573 121.356 119.800 -0.028 0.000 2.313 281 Q HA 0.310 4.660 4.340 0.017 0.000 0.255 281 Q C -1.286 174.776 176.000 0.104 0.000 0.944 281 Q CA -0.379 55.401 55.803 -0.038 0.000 0.881 281 Q CB 0.586 29.361 28.738 0.062 0.000 1.375 281 Q HN 0.575 nan 8.270 nan 0.000 0.422 282 F N 2.431 122.377 119.950 -0.007 0.000 3.091 282 F HA -0.297 4.240 4.527 0.017 0.000 0.288 282 F C 1.136 176.930 175.800 -0.010 0.000 0.907 282 F CA 1.525 59.521 58.000 -0.006 0.000 1.028 282 F CB -1.681 37.317 39.000 -0.004 0.000 1.022 282 F HN 0.948 nan 8.300 nan 0.000 0.665 283 G N -1.000 107.845 108.800 0.075 0.000 2.317 283 G HA2 -0.331 3.639 3.960 0.017 0.000 0.227 283 G HA3 -0.331 3.639 3.960 0.017 0.000 0.227 283 G C 0.511 175.430 174.900 0.033 0.000 1.042 283 G CA 0.066 45.194 45.100 0.046 0.000 0.623 283 G HN 0.536 nan 8.290 nan 0.000 0.509 284 R N 1.904 122.437 120.500 0.054 0.000 2.536 284 R HA 0.536 4.886 4.340 0.017 0.000 0.279 284 R C -2.228 174.080 176.300 0.014 0.000 1.001 284 R CA -1.664 54.454 56.100 0.031 0.000 1.027 284 R CB 1.122 31.446 30.300 0.039 0.000 1.096 284 R HN 0.171 nan 8.270 nan 0.000 0.502 285 P HA -0.080 nan 4.420 nan 0.000 0.269 285 P C 0.347 177.639 177.300 -0.013 0.000 1.215 285 P CA -0.137 62.946 63.100 -0.028 0.000 0.780 285 P CB 0.645 32.321 31.700 -0.039 0.000 0.898 286 L N 3.163 124.369 121.223 -0.028 0.000 2.127 286 L HA -0.174 4.176 4.340 0.017 0.000 0.211 286 L C 2.514 179.389 176.870 0.008 0.000 1.089 286 L CA 2.177 57.018 54.840 0.001 0.000 0.757 286 L CB -1.717 40.334 42.059 -0.014 0.000 0.899 286 L HN 0.492 nan 8.230 nan 0.000 0.434 287 A N -0.786 122.026 122.820 -0.014 0.000 2.032 287 A HA -0.172 4.158 4.320 0.017 0.000 0.221 287 A C 2.315 179.895 177.584 -0.007 0.000 1.165 287 A CA 1.620 53.648 52.037 -0.015 0.000 0.645 287 A CB -0.913 18.062 19.000 -0.041 0.000 0.807 287 A HN 0.489 nan 8.150 nan 0.000 0.453 288 A N -0.483 122.336 122.820 -0.003 0.000 2.206 288 A HA 0.012 4.342 4.320 0.017 0.000 0.211 288 A C 1.084 178.672 177.584 0.007 0.000 1.158 288 A CA 0.178 52.215 52.037 0.000 0.000 0.761 288 A CB -0.489 18.512 19.000 0.002 0.000 0.801 288 A HN 0.579 nan 8.150 nan 0.000 0.473 289 N N 0.364 119.074 118.700 0.016 0.000 2.497 289 N HA 0.045 4.795 4.740 0.017 0.000 0.271 289 N C 0.627 176.144 175.510 0.012 0.000 1.142 289 N CA -0.078 52.983 53.050 0.019 0.000 0.965 289 N CB 0.632 39.141 38.487 0.037 0.000 1.077 289 N HN 0.450 nan 8.380 nan 0.000 0.462 290 Q N 1.951 121.753 119.800 0.004 0.000 2.096 290 Q HA -0.190 4.160 4.340 0.017 0.000 0.204 290 Q C 1.643 177.646 176.000 0.005 0.000 0.982 290 Q CA 1.316 57.120 55.803 0.001 0.000 0.850 290 Q CB -0.006 28.729 28.738 -0.006 0.000 0.901 290 Q HN 0.588 nan 8.270 nan 0.000 0.422 291 L N 0.661 121.889 121.223 0.008 0.000 2.093 291 L HA -0.141 4.210 4.340 0.017 0.000 0.208 291 L C 1.965 178.846 176.870 0.018 0.000 1.085 291 L CA 1.315 56.161 54.840 0.010 0.000 0.755 291 L CB -0.387 41.679 42.059 0.011 0.000 0.904 291 L HN 0.190 nan 8.230 nan 0.000 0.435 292 I N -0.442 120.145 120.570 0.027 0.000 2.208 292 I HA -0.297 3.884 4.170 0.017 0.000 0.245 292 I C 2.502 178.640 176.117 0.035 0.000 1.097 292 I CA 1.325 62.647 61.300 0.038 0.000 1.363 292 I CB -1.276 36.751 38.000 0.046 0.000 1.051 292 I HN 0.467 nan 8.210 nan 0.000 0.413 293 Q N 0.407 120.221 119.800 0.025 0.000 2.050 293 Q HA -0.201 4.149 4.340 0.017 0.000 0.202 293 Q C 2.260 178.273 176.000 0.022 0.000 0.980 293 Q CA 1.194 57.012 55.803 0.024 0.000 0.840 293 Q CB -0.177 28.569 28.738 0.013 0.000 0.898 293 Q HN 0.493 nan 8.270 nan 0.000 0.424 294 K N 1.167 121.573 120.400 0.010 0.000 2.020 294 K HA -0.195 4.136 4.320 0.017 0.000 0.212 294 K C 2.082 178.680 176.600 -0.004 0.000 1.050 294 K CA 1.489 57.776 56.287 0.000 0.000 0.929 294 K CB -0.067 32.430 32.500 -0.004 0.000 0.714 294 K HN 0.111 nan 8.250 nan 0.000 0.443 295 K N 0.676 121.079 120.400 0.004 0.000 2.057 295 K HA -0.114 4.216 4.320 0.017 0.000 0.207 295 K C 2.168 178.767 176.600 -0.002 0.000 1.049 295 K CA 1.181 57.467 56.287 -0.002 0.000 0.931 295 K CB -0.151 32.357 32.500 0.012 0.000 0.714 295 K HN 0.084 nan 8.250 nan 0.000 0.440 296 L N 0.440 121.688 121.223 0.042 0.000 2.093 296 L HA -0.156 4.194 4.340 0.017 0.000 0.208 296 L C 2.564 179.451 176.870 0.029 0.000 1.085 296 L CA 0.951 55.850 54.840 0.099 0.000 0.755 296 L CB -0.531 41.630 42.059 0.169 0.000 0.904 296 L HN 0.213 nan 8.230 nan 0.000 0.435 297 A N -0.089 122.740 122.820 0.015 0.000 1.902 297 A HA -0.218 4.112 4.320 0.017 0.000 0.217 297 A C 1.947 179.479 177.584 -0.086 0.000 1.181 297 A CA 1.848 53.879 52.037 -0.010 0.000 0.623 297 A CB -0.471 18.530 19.000 0.002 0.000 0.818 297 A HN 0.342 nan 8.150 nan 0.000 0.443 298 D N -0.120 120.226 120.400 -0.090 0.000 2.104 298 D HA -0.167 4.483 4.640 0.017 0.000 0.194 298 D C 2.071 178.243 176.300 -0.213 0.000 0.994 298 D CA 1.613 55.540 54.000 -0.121 0.000 0.830 298 D CB -0.392 40.356 40.800 -0.087 0.000 0.959 298 D HN 0.519 nan 8.370 nan 0.000 0.452 299 M N 0.303 119.730 119.600 -0.288 0.000 2.086 299 M HA -0.187 4.304 4.480 0.017 0.000 0.261 299 M C 2.408 178.208 176.300 -0.834 0.000 1.067 299 M CA 1.307 56.310 55.300 -0.495 0.000 1.116 299 M CB -0.385 31.892 32.600 -0.537 0.000 1.348 299 M HN -0.022 nan 8.290 nan 0.000 0.407 300 Q N 0.036 119.268 119.800 -0.946 0.000 2.061 300 Q HA -0.171 4.180 4.340 0.017 0.000 0.204 300 Q C 1.809 177.546 176.000 -0.437 0.000 0.984 300 Q CA 2.181 57.424 55.803 -0.933 0.000 0.846 300 Q CB -0.008 28.548 28.738 -0.303 0.000 0.902 300 Q HN 0.457 nan 8.270 nan 0.000 0.421 301 T N 1.182 115.579 114.554 -0.263 0.000 2.708 301 T HA -0.128 4.232 4.350 0.017 0.000 0.266 301 T C 1.496 176.095 174.700 -0.169 0.000 1.037 301 T CA 1.401 63.409 62.100 -0.153 0.000 1.146 301 T CB -0.141 68.664 68.868 -0.105 0.000 0.865 301 T HN 0.331 nan 8.240 nan 0.000 0.435 302 E N 0.653 120.732 120.200 -0.202 0.000 2.152 302 E HA 0.045 4.406 4.350 0.017 0.000 0.192 302 E C 2.224 178.713 176.600 -0.184 0.000 0.983 302 E CA 0.552 56.850 56.400 -0.171 0.000 0.818 302 E CB -0.260 29.345 29.700 -0.158 0.000 0.758 302 E HN 0.525 nan 8.360 nan 0.000 0.467 303 I N 0.918 121.342 120.570 -0.242 0.000 2.233 303 I HA -0.209 3.971 4.170 0.017 0.000 0.243 303 I C 2.293 178.318 176.117 -0.153 0.000 1.093 303 I CA 1.160 62.338 61.300 -0.203 0.000 1.380 303 I CB -0.407 37.453 38.000 -0.235 0.000 1.067 303 I HN 0.036 nan 8.210 nan 0.000 0.413 304 T N 1.662 116.129 114.554 -0.146 0.000 2.652 304 T HA -0.179 4.181 4.350 0.017 0.000 0.267 304 T C 1.936 176.582 174.700 -0.089 0.000 1.039 304 T CA 1.483 63.534 62.100 -0.081 0.000 1.153 304 T CB -0.466 68.375 68.868 -0.044 0.000 0.863 304 T HN 0.226 nan 8.240 nan 0.000 0.428 305 L N 0.660 121.824 121.223 -0.098 0.000 2.083 305 L HA 0.016 4.366 4.340 0.017 0.000 0.209 305 L C 3.060 179.853 176.870 -0.129 0.000 1.083 305 L CA 1.269 56.051 54.840 -0.096 0.000 0.752 305 L CB -1.082 40.926 42.059 -0.084 0.000 0.899 305 L HN 0.368 nan 8.230 nan 0.000 0.433 306 G N 0.317 109.025 108.800 -0.154 0.000 2.418 306 G HA2 -0.209 3.761 3.960 0.017 0.000 0.217 306 G HA3 -0.209 3.761 3.960 0.017 0.000 0.217 306 G C 1.648 176.384 174.900 -0.273 0.000 1.158 306 G CA 0.577 45.558 45.100 -0.198 0.000 0.771 306 G HN 0.205 nan 8.290 nan 0.000 0.545 307 L N -0.191 120.882 121.223 -0.250 0.000 1.994 307 L HA -0.127 4.223 4.340 0.017 0.000 0.208 307 L C 3.227 179.933 176.870 -0.273 0.000 1.071 307 L CA 1.062 55.715 54.840 -0.310 0.000 0.745 307 L CB -0.439 41.519 42.059 -0.169 0.000 0.892 307 L HN 0.145 nan 8.230 nan 0.000 0.431 308 Q N -0.015 119.691 119.800 -0.158 0.000 2.112 308 Q HA -0.188 4.162 4.340 0.017 0.000 0.206 308 Q C 2.242 178.168 176.000 -0.123 0.000 0.987 308 Q CA 1.861 57.601 55.803 -0.106 0.000 0.858 308 Q CB -0.860 27.839 28.738 -0.066 0.000 0.905 308 Q HN 0.607 nan 8.270 nan 0.000 0.420 309 G N 0.626 109.329 108.800 -0.161 0.000 2.421 309 G HA2 -0.179 3.791 3.960 0.017 0.000 0.216 309 G HA3 -0.179 3.791 3.960 0.017 0.000 0.216 309 G C 1.589 176.376 174.900 -0.189 0.000 1.171 309 G CA 1.612 46.620 45.100 -0.152 0.000 0.775 309 G HN 0.387 nan 8.290 nan 0.000 0.543 310 V N -0.789 118.897 119.914 -0.379 0.000 2.548 310 V HA 0.020 4.150 4.120 0.017 0.000 0.249 310 V C 2.574 178.529 176.094 -0.231 0.000 1.055 310 V CA 1.447 63.423 62.300 -0.539 0.000 1.065 310 V CB -0.653 30.356 31.823 -1.358 0.000 0.681 310 V HN 0.208 nan 8.190 nan 0.000 0.462 311 L N 1.188 122.287 121.223 -0.206 0.000 1.970 311 L HA -0.105 4.245 4.340 0.017 0.000 0.212 311 L C 2.691 179.670 176.870 0.182 0.000 1.071 311 L CA 2.693 57.647 54.840 0.189 0.000 0.751 311 L CB -0.983 41.143 42.059 0.112 0.000 0.889 311 L HN 0.415 nan 8.230 nan 0.000 0.432 312 R N -0.244 120.297 120.500 0.068 0.000 2.091 312 R HA -0.159 4.192 4.340 0.017 0.000 0.238 312 R C 2.288 178.634 176.300 0.077 0.000 1.136 312 R CA 1.982 58.117 56.100 0.059 0.000 0.959 312 R CB -1.127 29.182 30.300 0.015 0.000 0.856 312 R HN 0.566 nan 8.270 nan 0.000 0.437 313 L N -0.429 120.847 121.223 0.088 0.000 2.042 313 L HA -0.094 4.256 4.340 0.017 0.000 0.210 313 L C 2.023 178.960 176.870 0.112 0.000 1.076 313 L CA 1.992 56.891 54.840 0.098 0.000 0.749 313 L CB -1.003 41.142 42.059 0.144 0.000 0.893 313 L HN 0.542 nan 8.230 nan 0.000 0.432 314 G N -0.520 108.465 108.800 0.308 0.000 2.433 314 G HA2 -0.258 3.712 3.960 0.017 0.000 0.216 314 G HA3 -0.258 3.712 3.960 0.017 0.000 0.216 314 G C 1.564 176.563 174.900 0.165 0.000 1.186 314 G CA 0.255 45.533 45.100 0.297 0.000 0.779 314 G HN 0.239 nan 8.290 nan 0.000 0.543 315 R N 0.033 120.632 120.500 0.165 0.000 2.096 315 R HA -0.062 4.288 4.340 0.017 0.000 0.240 315 R C 2.694 179.033 176.300 0.065 0.000 1.139 315 R CA 1.499 57.664 56.100 0.109 0.000 0.952 315 R CB -0.843 29.514 30.300 0.094 0.000 0.854 315 R HN 0.430 nan 8.270 nan 0.000 0.436 316 M N 0.449 120.073 119.600 0.039 0.000 2.159 316 M HA -0.154 4.336 4.480 0.017 0.000 0.263 316 M C 2.169 178.455 176.300 -0.023 0.000 1.063 316 M CA 1.680 56.985 55.300 0.008 0.000 1.110 316 M CB -0.285 32.312 32.600 -0.004 0.000 1.374 316 M HN 0.052 nan 8.290 nan 0.000 0.411 317 K N 0.126 120.475 120.400 -0.085 0.000 2.097 317 K HA -0.128 4.202 4.320 0.017 0.000 0.205 317 K C 1.502 178.117 176.600 0.026 0.000 1.050 317 K CA 1.096 57.265 56.287 -0.197 0.000 0.938 317 K CB -0.064 32.044 32.500 -0.654 0.000 0.718 317 K HN 0.258 nan 8.250 nan 0.000 0.442 318 D N 0.849 121.329 120.400 0.135 0.000 2.117 318 D HA -0.167 4.483 4.640 0.017 0.000 0.198 318 D C 1.673 178.031 176.300 0.097 0.000 0.982 318 D CA 1.197 55.301 54.000 0.173 0.000 0.828 318 D CB -0.027 40.858 40.800 0.141 0.000 0.967 318 D HN 0.457 nan 8.370 nan 0.000 0.464 319 E N 0.199 120.438 120.200 0.064 0.000 2.502 319 E HA 0.081 4.442 4.350 0.017 0.000 0.194 319 E C 0.939 177.563 176.600 0.039 0.000 1.062 319 E CA 0.694 57.121 56.400 0.045 0.000 0.867 319 E CB -0.124 29.597 29.700 0.036 0.000 0.888 319 E HN 0.124 nan 8.360 nan 0.000 0.510 320 G N 1.329 110.152 108.800 0.038 0.000 2.225 320 G HA2 -0.304 3.666 3.960 0.017 0.000 0.264 320 G HA3 -0.304 3.666 3.960 0.017 0.000 0.264 320 G C 0.632 175.541 174.900 0.016 0.000 1.060 320 G CA 0.724 45.842 45.100 0.030 0.000 0.833 320 G HN 0.514 nan 8.290 nan 0.000 0.498 321 T N -3.922 110.635 114.554 0.005 0.000 3.043 321 T HA 0.673 5.033 4.350 0.017 0.000 0.272 321 T C 1.004 175.701 174.700 -0.005 0.000 0.990 321 T CA 1.158 63.260 62.100 0.004 0.000 0.897 321 T CB 0.909 69.782 68.868 0.009 0.000 1.111 321 T HN 1.640 nan 8.240 nan 0.000 0.529 322 A N 1.578 124.383 122.820 -0.025 0.000 2.309 322 A HA 0.828 5.158 4.320 0.017 0.000 0.290 322 A C 0.725 178.298 177.584 -0.019 0.000 1.206 322 A CA -0.481 51.536 52.037 -0.035 0.000 0.850 322 A CB -0.095 18.856 19.000 -0.082 0.000 1.118 322 A HN 0.746 nan 8.150 nan 0.000 0.523 323 A N 2.358 125.179 122.820 0.002 0.000 2.332 323 A HA 0.448 4.778 4.320 0.017 0.000 0.258 323 A C 1.363 178.969 177.584 0.037 0.000 1.087 323 A CA -0.120 51.933 52.037 0.026 0.000 0.802 323 A CB 0.109 19.128 19.000 0.031 0.000 1.042 323 A HN 1.179 nan 8.150 nan 0.000 0.489 324 V N 1.050 121.016 119.914 0.086 0.000 2.453 324 V HA -0.250 3.880 4.120 0.017 0.000 0.252 324 V C 2.341 178.499 176.094 0.107 0.000 1.068 324 V CA 2.637 65.016 62.300 0.133 0.000 1.070 324 V CB -1.097 30.920 31.823 0.322 0.000 0.664 324 V HN 0.977 nan 8.190 nan 0.000 0.461 325 E N 0.062 120.316 120.200 0.091 0.000 2.160 325 E HA -0.171 4.189 4.350 0.017 0.000 0.195 325 E C 1.940 178.564 176.600 0.040 0.000 0.991 325 E CA 1.301 57.746 56.400 0.075 0.000 0.810 325 E CB -0.329 29.404 29.700 0.056 0.000 0.742 325 E HN 0.644 nan 8.360 nan 0.000 0.466 326 I N 0.126 120.709 120.570 0.021 0.000 2.439 326 I HA -0.192 3.989 4.170 0.017 0.000 0.251 326 I C 1.827 177.936 176.117 -0.013 0.000 1.139 326 I CA 1.081 62.380 61.300 -0.001 0.000 1.438 326 I CB -0.409 37.588 38.000 -0.005 0.000 1.085 326 I HN 0.049 nan 8.210 nan 0.000 0.427 327 T N 0.001 114.551 114.554 -0.007 0.000 2.867 327 T HA -0.104 4.257 4.350 0.017 0.000 0.268 327 T C 2.179 176.818 174.700 -0.101 0.000 1.057 327 T CA 1.378 63.468 62.100 -0.018 0.000 1.136 327 T CB -0.065 68.802 68.868 -0.003 0.000 0.874 327 T HN 0.252 nan 8.240 nan 0.000 0.466 328 S N 1.166 116.820 115.700 -0.077 0.000 2.356 328 S HA -0.007 4.473 4.470 0.017 0.000 0.223 328 S C 1.984 176.473 174.600 -0.185 0.000 1.032 328 S CA 0.638 58.737 58.200 -0.167 0.000 1.005 328 S CB -0.376 62.898 63.200 0.123 0.000 0.867 328 S HN 0.457 nan 8.310 nan 0.000 0.449 329 I N 1.155 121.680 120.570 -0.076 0.000 2.226 329 I HA -0.149 4.031 4.170 0.017 0.000 0.245 329 I C 1.693 177.748 176.117 -0.103 0.000 1.100 329 I CA 1.710 62.970 61.300 -0.066 0.000 1.374 329 I CB -0.501 37.478 38.000 -0.034 0.000 1.057 329 I HN 0.261 nan 8.210 nan 0.000 0.413 330 M N 0.714 120.246 119.600 -0.113 0.000 2.132 330 M HA -0.148 4.342 4.480 0.017 0.000 0.263 330 M C 2.161 178.360 176.300 -0.168 0.000 1.065 330 M CA 1.384 56.602 55.300 -0.136 0.000 1.122 330 M CB -1.524 31.005 32.600 -0.118 0.000 1.365 330 M HN 0.195 nan 8.290 nan 0.000 0.411 331 K N 0.631 120.912 120.400 -0.199 0.000 2.002 331 K HA -0.175 4.155 4.320 0.017 0.000 0.209 331 K C 2.179 178.667 176.600 -0.186 0.000 1.048 331 K CA 1.490 57.647 56.287 -0.217 0.000 0.930 331 K CB -0.365 31.953 32.500 -0.304 0.000 0.714 331 K HN 0.259 nan 8.250 nan 0.000 0.438 332 R N 0.713 121.082 120.500 -0.217 0.000 2.094 332 R HA -0.212 4.138 4.340 0.017 0.000 0.239 332 R C 2.165 178.422 176.300 -0.073 0.000 1.137 332 R CA 2.301 58.347 56.100 -0.090 0.000 0.943 332 R CB -0.407 29.872 30.300 -0.035 0.000 0.850 332 R HN 0.264 nan 8.270 nan 0.000 0.433 333 N N -0.248 118.397 118.700 -0.092 0.000 2.058 333 N HA -0.127 4.623 4.740 0.017 0.000 0.191 333 N C 1.644 177.092 175.510 -0.102 0.000 1.037 333 N CA 2.215 55.212 53.050 -0.089 0.000 0.848 333 N CB -0.172 38.256 38.487 -0.097 0.000 1.021 333 N HN 0.101 nan 8.380 nan 0.000 0.422 334 S N -0.691 114.932 115.700 -0.128 0.000 2.365 334 S HA -0.178 4.302 4.470 0.017 0.000 0.225 334 S C 2.220 176.759 174.600 -0.102 0.000 1.039 334 S CA 1.357 59.475 58.200 -0.136 0.000 1.033 334 S CB -0.640 62.458 63.200 -0.170 0.000 0.887 334 S HN 0.562 nan 8.310 nan 0.000 0.447 335 C N 1.006 120.257 119.300 -0.082 0.000 2.446 335 C HA 0.067 4.537 4.460 0.017 0.000 0.277 335 C C 2.941 177.903 174.990 -0.048 0.000 1.275 335 C CA 0.347 59.332 59.018 -0.055 0.000 1.727 335 C CB -1.738 25.982 27.740 -0.033 0.000 2.010 335 C HN 0.727 nan 8.230 nan 0.000 0.486 336 G N 0.591 109.363 108.800 -0.046 0.000 2.402 336 G HA2 -0.160 3.810 3.960 0.017 0.000 0.216 336 G HA3 -0.160 3.810 3.960 0.017 0.000 0.216 336 G C 1.735 176.605 174.900 -0.050 0.000 1.162 336 G CA 0.612 45.688 45.100 -0.039 0.000 0.777 336 G HN 0.451 nan 8.290 nan 0.000 0.539 337 K N 0.893 121.253 120.400 -0.067 0.000 2.103 337 K HA 0.128 4.458 4.320 0.017 0.000 0.204 337 K C 2.844 179.396 176.600 -0.081 0.000 1.052 337 K CA 0.997 57.237 56.287 -0.079 0.000 0.945 337 K CB -0.518 31.924 32.500 -0.097 0.000 0.722 337 K HN 0.260 nan 8.250 nan 0.000 0.443 338 A N 1.493 124.265 122.820 -0.080 0.000 1.933 338 A HA -0.138 4.193 4.320 0.017 0.000 0.218 338 A C 2.163 179.711 177.584 -0.060 0.000 1.175 338 A CA 1.110 53.100 52.037 -0.077 0.000 0.628 338 A CB -0.438 18.515 19.000 -0.077 0.000 0.814 338 A HN 0.210 nan 8.150 nan 0.000 0.444 339 L N -0.099 121.094 121.223 -0.049 0.000 2.109 339 L HA -0.090 4.260 4.340 0.017 0.000 0.207 339 L C 1.463 178.311 176.870 -0.036 0.000 1.086 339 L CA 2.237 57.055 54.840 -0.037 0.000 0.760 339 L CB -0.613 41.428 42.059 -0.030 0.000 0.910 339 L HN 0.290 nan 8.230 nan 0.000 0.437 340 D N -0.289 120.085 120.400 -0.043 0.000 2.144 340 D HA -0.163 4.487 4.640 0.017 0.000 0.199 340 D C 2.315 178.587 176.300 -0.046 0.000 0.984 340 D CA 1.656 55.630 54.000 -0.043 0.000 0.834 340 D CB 0.013 40.783 40.800 -0.049 0.000 0.955 340 D HN 0.437 nan 8.370 nan 0.000 0.465 341 I N 0.873 121.409 120.570 -0.056 0.000 2.333 341 I HA -0.162 4.018 4.170 0.017 0.000 0.246 341 I C 2.464 178.560 176.117 -0.035 0.000 1.106 341 I CA 0.643 61.910 61.300 -0.054 0.000 1.411 341 I CB -0.122 37.833 38.000 -0.074 0.000 1.082 341 I HN -0.100 nan 8.210 nan 0.000 0.420 342 A N 1.031 123.830 122.820 -0.036 0.000 1.908 342 A HA -0.232 4.098 4.320 0.017 0.000 0.218 342 A C 2.372 179.941 177.584 -0.026 0.000 1.181 342 A CA 1.682 53.704 52.037 -0.025 0.000 0.627 342 A CB -0.591 18.400 19.000 -0.014 0.000 0.818 342 A HN 0.320 nan 8.150 nan 0.000 0.445 343 R N -1.517 118.968 120.500 -0.025 0.000 2.115 343 R HA -0.007 4.344 4.340 0.017 0.000 0.226 343 R C 2.007 178.291 176.300 -0.027 0.000 1.100 343 R CA 1.074 57.161 56.100 -0.022 0.000 0.980 343 R CB -0.366 29.923 30.300 -0.019 0.000 0.875 343 R HN 0.445 nan 8.270 nan 0.000 0.445 344 L N 0.463 121.668 121.223 -0.029 0.000 2.044 344 L HA -0.018 4.332 4.340 0.017 0.000 0.205 344 L C 2.264 179.114 176.870 -0.033 0.000 1.075 344 L CA 1.771 56.595 54.840 -0.027 0.000 0.747 344 L CB -0.685 41.358 42.059 -0.027 0.000 0.903 344 L HN 0.105 nan 8.230 nan 0.000 0.435 345 A N -0.559 122.240 122.820 -0.035 0.000 1.908 345 A HA -0.273 4.057 4.320 0.017 0.000 0.218 345 A C 2.424 179.930 177.584 -0.130 0.000 1.181 345 A CA 1.887 53.887 52.037 -0.062 0.000 0.627 345 A CB -0.591 18.384 19.000 -0.041 0.000 0.818 345 A HN 0.418 nan 8.150 nan 0.000 0.445 346 R N 0.574 121.012 120.500 -0.103 0.000 2.083 346 R HA -0.147 4.203 4.340 0.017 0.000 0.237 346 R C 1.026 177.264 176.300 -0.103 0.000 1.137 346 R CA 2.187 58.218 56.100 -0.115 0.000 0.951 346 R CB -0.723 29.552 30.300 -0.043 0.000 0.851 346 R HN 0.461 nan 8.270 nan 0.000 0.434 347 D N -0.470 119.893 120.400 -0.061 0.000 2.348 347 D HA -0.076 4.574 4.640 0.017 0.000 0.216 347 D C 1.470 177.744 176.300 -0.045 0.000 0.970 347 D CA 0.941 54.920 54.000 -0.035 0.000 0.889 347 D CB -0.011 40.779 40.800 -0.015 0.000 0.912 347 D HN 0.377 nan 8.370 nan 0.000 0.524 348 M N -0.324 119.224 119.600 -0.087 0.000 2.476 348 M HA 0.084 4.575 4.480 0.017 0.000 0.262 348 M C 0.290 176.481 176.300 -0.182 0.000 1.111 348 M CA 0.374 55.626 55.300 -0.080 0.000 1.127 348 M CB 0.441 33.004 32.600 -0.062 0.000 1.376 348 M HN -0.151 nan 8.290 nan 0.000 0.465 349 L N 0.497 121.518 121.223 -0.338 0.000 2.276 349 L HA 0.435 4.785 4.340 0.017 0.000 0.286 349 L C 0.666 177.439 176.870 -0.162 0.000 1.061 349 L CA -0.852 53.649 54.840 -0.565 0.000 0.807 349 L CB 0.692 42.223 42.059 -0.879 0.000 1.177 349 L HN 0.022 nan 8.230 nan 0.000 0.429 350 G N 1.103 109.903 108.800 0.000 0.000 2.476 350 G HA2 0.606 4.576 3.960 0.017 0.000 0.286 350 G HA3 0.606 4.576 3.960 0.017 0.000 0.286 350 G C 0.187 175.261 174.900 0.290 0.000 1.177 350 G CA 0.346 45.539 45.100 0.154 0.000 0.870 350 G HN 0.984 nan 8.290 nan 0.000 0.528 351 G N 0.291 109.240 108.800 0.248 0.000 2.512 351 G HA2 0.061 4.031 3.960 0.017 0.000 0.210 351 G HA3 0.061 4.031 3.960 0.017 0.000 0.210 351 G C -0.259 174.694 174.900 0.087 0.000 1.295 351 G CA 0.212 45.438 45.100 0.210 0.000 0.934 351 G HN 1.543 nan 8.290 nan 0.000 0.554 352 N N 0.261 118.757 118.700 -0.339 0.000 2.725 352 N HA 0.560 5.310 4.740 0.017 0.000 0.225 352 N C 0.831 175.816 175.510 -0.875 0.000 1.465 352 N CA 1.624 54.320 53.050 -0.591 0.000 0.830 352 N CB 0.109 38.459 38.487 -0.228 0.000 1.460 352 N HN 2.370 nan 8.380 nan 0.000 0.538 353 G N 0.610 108.268 108.800 -1.904 0.000 2.254 353 G HA2 -0.304 3.667 3.960 0.017 0.000 0.225 353 G HA3 -0.304 3.667 3.960 0.017 0.000 0.225 353 G C 1.067 175.729 174.900 -0.396 0.000 1.003 353 G CA 0.370 44.850 45.100 -1.033 0.000 0.622 353 G HN 0.477 nan 8.290 nan 0.000 0.507 354 I N 0.354 120.769 120.570 -0.257 0.000 2.406 354 I HA 0.235 4.415 4.170 0.017 0.000 0.249 354 I C 1.463 177.627 176.117 0.079 0.000 1.122 354 I CA 1.028 62.302 61.300 -0.044 0.000 1.431 354 I CB -0.631 37.351 38.000 -0.031 0.000 1.087 354 I HN 0.166 nan 8.210 nan 0.000 0.424 355 S N 1.574 117.401 115.700 0.212 0.000 2.645 355 S HA 0.110 4.590 4.470 0.017 0.000 0.266 355 S C 0.599 175.323 174.600 0.207 0.000 1.258 355 S CA -0.581 57.747 58.200 0.213 0.000 0.990 355 S CB 1.080 64.425 63.200 0.240 0.000 0.967 355 S HN 0.212 nan 8.310 nan 0.000 0.556 356 D N 1.604 122.079 120.400 0.124 0.000 2.158 356 D HA -0.162 4.488 4.640 0.017 0.000 0.197 356 D C 1.716 178.048 176.300 0.054 0.000 0.995 356 D CA 1.609 55.657 54.000 0.080 0.000 0.846 356 D CB -0.350 40.485 40.800 0.058 0.000 0.941 356 D HN 0.719 nan 8.370 nan 0.000 0.456 357 E N 0.042 120.254 120.200 0.021 0.000 2.209 357 E HA -0.165 4.195 4.350 0.017 0.000 0.196 357 E C 1.455 177.878 176.600 -0.295 0.000 0.993 357 E CA 0.616 56.923 56.400 -0.155 0.000 0.819 357 E CB -0.581 28.947 29.700 -0.286 0.000 0.745 357 E HN 0.335 nan 8.360 nan 0.000 0.477 358 F N 1.064 120.983 119.950 -0.052 0.000 2.754 358 F HA 0.191 4.728 4.527 0.017 0.000 0.303 358 F C 2.062 177.801 175.800 -0.101 0.000 1.196 358 F CA 0.361 58.317 58.000 -0.072 0.000 1.416 358 F CB -0.172 38.793 39.000 -0.059 0.000 1.092 358 F HN 0.092 nan 8.300 nan 0.000 0.541 359 G N -0.320 108.478 108.800 -0.003 0.000 2.471 359 G HA2 -0.145 3.826 3.960 0.017 0.000 0.219 359 G HA3 -0.145 3.826 3.960 0.017 0.000 0.219 359 G C 1.763 176.597 174.900 -0.109 0.000 1.125 359 G CA 0.739 45.778 45.100 -0.103 0.000 0.775 359 G HN 0.279 nan 8.290 nan 0.000 0.548 360 V N 1.415 121.305 119.914 -0.041 0.000 2.343 360 V HA -0.147 3.983 4.120 0.017 0.000 0.247 360 V C 3.291 179.372 176.094 -0.022 0.000 1.051 360 V CA 1.915 64.211 62.300 -0.006 0.000 1.036 360 V CB -0.730 31.033 31.823 -0.100 0.000 0.654 360 V HN 0.453 nan 8.190 nan 0.000 0.451 361 A N -0.052 122.762 122.820 -0.010 0.000 1.940 361 A HA -0.277 4.053 4.320 0.017 0.000 0.219 361 A C 2.405 179.929 177.584 -0.100 0.000 1.176 361 A CA 2.155 54.200 52.037 0.015 0.000 0.631 361 A CB -0.567 18.511 19.000 0.130 0.000 0.814 361 A HN 0.505 nan 8.150 nan 0.000 0.446 362 R N -1.281 119.053 120.500 -0.276 0.000 2.073 362 R HA -0.177 4.173 4.340 0.017 0.000 0.234 362 R C 2.047 178.082 176.300 -0.441 0.000 1.134 362 R CA 1.907 57.625 56.100 -0.637 0.000 0.952 362 R CB -0.457 29.253 30.300 -0.983 0.000 0.850 362 R HN 0.738 nan 8.270 nan 0.000 0.433 363 H N -0.344 118.589 119.070 -0.228 0.000 2.387 363 H HA -0.156 4.411 4.556 0.017 0.000 0.299 363 H C 1.873 177.142 175.328 -0.098 0.000 1.090 363 H CA 1.465 57.427 56.048 -0.143 0.000 1.332 363 H CB 0.076 29.777 29.762 -0.101 0.000 1.386 363 H HN 0.134 nan 8.280 nan 0.000 0.516 364 L N 0.922 122.164 121.223 0.032 0.000 1.994 364 L HA -0.138 4.213 4.340 0.017 0.000 0.208 364 L C 2.431 179.303 176.870 0.003 0.000 1.071 364 L CA 1.506 56.353 54.840 0.012 0.000 0.745 364 L CB -0.774 41.290 42.059 0.007 0.000 0.892 364 L HN 0.296 nan 8.230 nan 0.000 0.431 365 V N -2.595 117.325 119.914 0.009 0.000 2.490 365 V HA -0.234 3.896 4.120 0.017 0.000 0.250 365 V C 2.114 178.221 176.094 0.022 0.000 1.061 365 V CA 2.128 64.449 62.300 0.035 0.000 1.064 365 V CB -1.425 30.462 31.823 0.107 0.000 0.670 365 V HN 0.578 nan 8.190 nan 0.000 0.461 366 N N 0.776 119.490 118.700 0.024 0.000 2.058 366 N HA -0.061 4.689 4.740 0.017 0.000 0.191 366 N C 1.881 177.369 175.510 -0.036 0.000 1.037 366 N CA 1.756 54.811 53.050 0.009 0.000 0.848 366 N CB -0.315 38.182 38.487 0.016 0.000 1.021 366 N HN 0.423 nan 8.380 nan 0.000 0.422 367 L N 1.143 122.356 121.223 -0.016 0.000 2.201 367 L HA -0.123 4.228 4.340 0.017 0.000 0.212 367 L C 1.982 178.824 176.870 -0.046 0.000 1.105 367 L CA 1.020 55.844 54.840 -0.027 0.000 0.775 367 L CB -0.251 41.799 42.059 -0.014 0.000 0.913 367 L HN 0.233 nan 8.230 nan 0.000 0.440 368 E N -0.569 119.603 120.200 -0.046 0.000 2.153 368 E HA -0.178 4.182 4.350 0.017 0.000 0.194 368 E C 2.232 178.772 176.600 -0.101 0.000 0.988 368 E CA 1.095 57.462 56.400 -0.055 0.000 0.811 368 E CB 0.053 29.729 29.700 -0.039 0.000 0.746 368 E HN 0.274 nan 8.360 nan 0.000 0.466 369 V N 0.397 120.213 119.914 -0.163 0.000 2.407 369 V HA -0.183 3.947 4.120 0.017 0.000 0.245 369 V C 2.230 178.112 176.094 -0.355 0.000 1.041 369 V CA 1.024 63.126 62.300 -0.330 0.000 1.040 369 V CB -0.126 31.419 31.823 -0.464 0.000 0.671 369 V HN 0.129 nan 8.190 nan 0.000 0.455 370 V N 0.642 120.428 119.914 -0.214 0.000 2.295 370 V HA -0.283 3.848 4.120 0.017 0.000 0.246 370 V C 2.293 178.383 176.094 -0.008 0.000 1.049 370 V CA 2.529 64.770 62.300 -0.098 0.000 1.024 370 V CB -0.942 30.855 31.823 -0.044 0.000 0.648 370 V HN 0.621 nan 8.190 nan 0.000 0.447 371 N N -0.464 118.224 118.700 -0.020 0.000 2.289 371 N HA -0.147 4.604 4.740 0.017 0.000 0.184 371 N C 1.725 177.259 175.510 0.040 0.000 1.016 371 N CA 1.713 54.770 53.050 0.012 0.000 0.872 371 N CB -0.084 38.399 38.487 -0.007 0.000 0.973 371 N HN 0.420 nan 8.380 nan 0.000 0.433 372 T N -0.218 114.350 114.554 0.023 0.000 2.978 372 T HA 0.016 4.376 4.350 0.017 0.000 0.262 372 T C 0.187 174.991 174.700 0.173 0.000 1.063 372 T CA 0.364 62.499 62.100 0.059 0.000 1.140 372 T CB -0.146 68.726 68.868 0.007 0.000 0.886 372 T HN 0.088 nan 8.240 nan 0.000 0.470 380 H N 1.313 120.399 119.070 0.026 0.000 2.436 380 H HA 0.241 4.807 4.556 0.017 0.000 0.294 380 H C 2.188 177.527 175.328 0.018 0.000 1.048 380 H CA 1.514 57.577 56.048 0.026 0.000 1.353 380 H CB 0.086 29.858 29.762 0.018 0.000 1.414 380 H HN 0.414 nan 8.280 nan 0.000 0.536 381 A N 1.224 124.114 122.820 0.116 0.000 1.969 381 A HA -0.047 4.283 4.320 0.017 0.000 0.218 381 A C 2.503 180.112 177.584 0.042 0.000 1.169 381 A CA 0.721 52.797 52.037 0.064 0.000 0.635 381 A CB -0.635 18.391 19.000 0.043 0.000 0.810 381 A HN 0.264 nan 8.150 nan 0.000 0.445 382 L N -1.032 120.209 121.223 0.031 0.000 2.240 382 L HA -0.007 4.344 4.340 0.017 0.000 0.211 382 L C 2.275 179.161 176.870 0.027 0.000 1.106 382 L CA 0.542 55.393 54.840 0.018 0.000 0.793 382 L CB -0.473 41.587 42.059 0.003 0.000 0.927 382 L HN 0.318 nan 8.230 nan 0.000 0.446 383 I N 0.117 120.715 120.570 0.047 0.000 2.202 383 I HA -0.280 3.901 4.170 0.017 0.000 0.242 383 I C 2.372 178.523 176.117 0.056 0.000 1.091 383 I CA 1.379 62.718 61.300 0.064 0.000 1.368 383 I CB -0.046 38.025 38.000 0.118 0.000 1.058 383 I HN 0.191 nan 8.210 nan 0.000 0.410 384 L N -0.118 121.139 121.223 0.058 0.000 2.109 384 L HA -0.062 4.288 4.340 0.017 0.000 0.207 384 L C 2.649 179.535 176.870 0.026 0.000 1.086 384 L CA 1.308 56.172 54.840 0.040 0.000 0.760 384 L CB -1.161 40.920 42.059 0.037 0.000 0.910 384 L HN 0.291 nan 8.230 nan 0.000 0.437 385 G N -0.170 108.644 108.800 0.024 0.000 2.421 385 G HA2 -0.282 3.688 3.960 0.017 0.000 0.216 385 G HA3 -0.282 3.688 3.960 0.017 0.000 0.216 385 G C 1.772 176.679 174.900 0.012 0.000 1.171 385 G CA 0.590 45.699 45.100 0.015 0.000 0.775 385 G HN 0.215 nan 8.290 nan 0.000 0.543 386 R N 0.476 120.984 120.500 0.014 0.000 2.092 386 R HA 0.060 4.411 4.340 0.017 0.000 0.231 386 R C 2.846 179.151 176.300 0.010 0.000 1.119 386 R CA 1.247 57.352 56.100 0.009 0.000 0.970 386 R CB -0.299 30.006 30.300 0.008 0.000 0.864 386 R HN 0.311 nan 8.270 nan 0.000 0.440 387 A N 0.461 123.291 122.820 0.016 0.000 1.969 387 A HA -0.163 4.167 4.320 0.017 0.000 0.218 387 A C 1.955 179.545 177.584 0.011 0.000 1.169 387 A CA 1.058 53.104 52.037 0.016 0.000 0.635 387 A CB -0.273 18.741 19.000 0.024 0.000 0.810 387 A HN 0.425 nan 8.150 nan 0.000 0.445 388 Q N -1.095 118.711 119.800 0.010 0.000 2.172 388 Q HA -0.100 4.250 4.340 0.017 0.000 0.200 388 Q C 2.042 178.045 176.000 0.005 0.000 0.964 388 Q CA 1.854 57.662 55.803 0.007 0.000 0.855 388 Q CB -0.001 28.741 28.738 0.006 0.000 0.918 388 Q HN 0.874 nan 8.270 nan 0.000 0.444 389 T N -6.234 108.322 114.554 0.004 0.000 2.955 389 T HA 0.303 4.663 4.350 0.017 0.000 0.251 389 T C 1.353 176.054 174.700 0.001 0.000 1.002 389 T CA 0.533 62.634 62.100 0.002 0.000 0.970 389 T CB 0.917 69.786 68.868 0.002 0.000 1.091 389 T HN 0.328 nan 8.240 nan 0.000 0.495 390 G N 1.693 110.494 108.800 0.001 0.000 2.184 390 G HA2 -0.202 3.768 3.960 0.017 0.000 0.264 390 G HA3 -0.202 3.768 3.960 0.017 0.000 0.264 390 G C -0.033 174.865 174.900 -0.003 0.000 0.975 390 G CA 0.319 45.418 45.100 -0.001 0.000 0.642 390 G HN 0.680 nan 8.290 nan 0.000 0.536 391 I N 1.028 121.597 120.570 -0.002 0.000 2.362 391 I HA 0.311 4.491 4.170 0.017 0.000 0.289 391 I C 0.465 176.581 176.117 -0.002 0.000 0.994 391 I CA -0.788 60.510 61.300 -0.003 0.000 1.158 391 I CB 1.756 39.755 38.000 -0.002 0.000 1.315 391 I HN 0.043 nan 8.210 nan 0.000 0.451 392 Q N 5.317 125.114 119.800 -0.005 0.000 2.314 392 Q HA 0.594 4.944 4.340 0.017 0.000 0.258 392 Q C -0.938 175.060 176.000 -0.004 0.000 0.954 392 Q CA -0.033 55.767 55.803 -0.005 0.000 0.890 392 Q CB 1.652 30.384 28.738 -0.009 0.000 1.210 392 Q HN 0.840 nan 8.270 nan 0.000 0.410 393 A N 0.000 122.818 122.820 -0.003 0.000 2.254 393 A HA 0.000 4.330 4.320 0.017 0.000 0.244 393 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 393 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486