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 3kfb_1_E DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE IKETETDAEI RITDPAKLME DATA SEQUENCE FIEQEEKMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.478 175.510 -0.053 0.000 1.280 11 N CA 0.000 53.025 53.050 -0.042 0.000 0.885 11 N CB 0.000 38.468 38.487 -0.031 0.000 1.341 12 M N 0.774 120.333 119.600 -0.069 0.000 2.817 12 M HA 0.251 4.731 4.480 0.000 0.000 0.228 12 M C -0.287 175.951 176.300 -0.103 0.000 1.644 12 M CA 0.566 55.824 55.300 -0.070 0.000 1.177 12 M CB 0.652 33.219 32.600 -0.056 0.000 1.302 12 M HN 0.224 nan 8.290 nan 0.000 0.565 13 K N 1.207 121.516 120.400 -0.152 0.000 2.507 13 K HA 0.517 4.837 4.320 0.000 0.000 0.252 13 K C -1.050 175.302 176.600 -0.414 0.000 0.943 13 K CA -0.386 55.739 56.287 -0.269 0.000 0.808 13 K CB 2.880 35.225 32.500 -0.258 0.000 1.142 13 K HN 0.014 nan 8.250 nan 0.000 0.426 14 R N 3.068 123.286 120.500 -0.471 0.000 2.532 14 R HA 0.319 4.659 4.340 0.000 0.000 0.297 14 R C -1.548 174.481 176.300 -0.451 0.000 0.984 14 R CA -0.623 55.224 56.100 -0.421 0.000 0.884 14 R CB 0.904 31.092 30.300 -0.186 0.000 1.182 14 R HN 0.453 nan 8.270 nan 0.000 0.442 15 Y N 3.944 124.241 120.300 -0.005 0.000 2.328 15 Y HA 0.406 4.956 4.550 0.000 0.000 0.337 15 Y C 0.293 176.193 175.900 -0.001 0.000 1.008 15 Y CA -0.958 57.142 58.100 -0.000 0.000 1.129 15 Y CB 1.528 39.992 38.460 0.007 0.000 1.185 15 Y HN 0.235 nan 8.280 nan 0.000 0.476 16 M N 2.857 122.537 119.600 0.134 0.000 2.157 16 M HA 0.327 4.807 4.480 0.000 0.000 0.354 16 M C 1.115 177.448 176.300 0.054 0.000 1.170 16 M CA -0.037 55.303 55.300 0.067 0.000 1.060 16 M CB 0.816 33.439 32.600 0.038 0.000 1.615 16 M HN 0.985 nan 8.290 nan 0.000 0.460 17 G N 4.597 113.417 108.800 0.034 0.000 2.774 17 G HA2 -0.413 3.547 3.960 0.000 0.000 0.342 17 G HA3 -0.413 3.547 3.960 0.000 0.000 0.342 17 G C 1.090 175.993 174.900 0.005 0.000 1.185 17 G CA 1.083 46.188 45.100 0.009 0.000 0.956 17 G HN 0.695 nan 8.290 nan 0.000 0.561 18 R N 0.879 121.378 120.500 -0.002 0.000 2.152 18 R HA 0.090 4.430 4.340 0.000 0.000 0.232 18 R C 2.200 178.498 176.300 -0.003 0.000 1.117 18 R CA 1.594 57.689 56.100 -0.009 0.000 0.981 18 R CB -0.281 30.011 30.300 -0.013 0.000 0.870 18 R HN 0.535 nan 8.270 nan 0.000 0.451 19 D N 0.409 120.820 120.400 0.018 0.000 2.120 19 D HA -0.041 4.599 4.640 0.000 0.000 0.202 19 D C 1.854 178.159 176.300 0.007 0.000 0.972 19 D CA 1.495 55.504 54.000 0.015 0.000 0.837 19 D CB -0.270 40.573 40.800 0.071 0.000 0.989 19 D HN 0.226 nan 8.370 nan 0.000 0.469 20 A N 0.779 123.643 122.820 0.074 0.000 1.930 20 A HA -0.206 4.114 4.320 0.000 0.000 0.217 20 A C 2.119 179.726 177.584 0.037 0.000 1.175 20 A CA 1.347 53.441 52.037 0.095 0.000 0.627 20 A CB -0.576 18.502 19.000 0.130 0.000 0.815 20 A HN 0.185 nan 8.150 nan 0.000 0.443 21 Q N -1.170 118.639 119.800 0.014 0.000 2.079 21 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 21 Q C 2.354 178.342 176.000 -0.019 0.000 0.974 21 Q CA 1.525 57.325 55.803 -0.004 0.000 0.840 21 Q CB -0.125 28.602 28.738 -0.019 0.000 0.898 21 Q HN 0.658 nan 8.270 nan 0.000 0.430 22 R N -0.109 120.373 120.500 -0.030 0.000 2.148 22 R HA -0.085 4.255 4.340 0.000 0.000 0.223 22 R C 2.098 178.358 176.300 -0.066 0.000 1.088 22 R CA 0.786 56.858 56.100 -0.045 0.000 0.985 22 R CB 0.028 30.301 30.300 -0.045 0.000 0.880 22 R HN 0.172 nan 8.270 nan 0.000 0.451 23 M N 0.994 120.547 119.600 -0.079 0.000 2.086 23 M HA -0.138 4.343 4.480 0.000 0.000 0.261 23 M C 1.259 177.527 176.300 -0.053 0.000 1.067 23 M CA 1.798 57.041 55.300 -0.094 0.000 1.116 23 M CB -0.215 32.275 32.600 -0.183 0.000 1.348 23 M HN 0.089 nan 8.290 nan 0.000 0.407 24 N N 0.185 118.877 118.700 -0.012 0.000 2.109 24 N HA -0.033 4.708 4.740 0.000 0.000 0.188 24 N C 1.871 177.331 175.510 -0.083 0.000 1.034 24 N CA 1.810 54.846 53.050 -0.024 0.000 0.846 24 N CB -0.634 37.874 38.487 0.035 0.000 1.010 24 N HN 0.412 nan 8.380 nan 0.000 0.425 25 I N 0.997 121.535 120.570 -0.053 0.000 2.248 25 I HA -0.260 3.911 4.170 0.000 0.000 0.248 25 I C 2.262 178.334 176.117 -0.075 0.000 1.107 25 I CA 0.897 62.166 61.300 -0.050 0.000 1.373 25 I CB -0.149 37.831 38.000 -0.034 0.000 1.055 25 I HN 0.119 nan 8.210 nan 0.000 0.418 26 L N 0.349 121.514 121.223 -0.097 0.000 2.072 26 L HA -0.133 4.207 4.340 0.000 0.000 0.205 26 L C 2.717 179.492 176.870 -0.158 0.000 1.079 26 L CA 1.376 56.152 54.840 -0.107 0.000 0.752 26 L CB -0.271 41.728 42.059 -0.100 0.000 0.906 26 L HN 0.197 nan 8.230 nan 0.000 0.436 27 A N -0.412 122.247 122.820 -0.269 0.000 1.972 27 A HA -0.124 4.196 4.320 0.000 0.000 0.219 27 A C 2.216 179.660 177.584 -0.233 0.000 1.169 27 A CA 1.586 53.376 52.037 -0.413 0.000 0.635 27 A CB -1.158 17.223 19.000 -1.031 0.000 0.810 27 A HN 0.531 nan 8.150 nan 0.000 0.446 28 G N -0.987 107.718 108.800 -0.158 0.000 2.408 28 G HA2 -0.121 3.839 3.960 0.000 0.000 0.215 28 G HA3 -0.121 3.839 3.960 0.000 0.000 0.215 28 G C 1.727 176.584 174.900 -0.070 0.000 1.156 28 G CA 0.554 45.600 45.100 -0.090 0.000 0.793 28 G HN 0.510 nan 8.290 nan 0.000 0.535 29 R N -0.437 120.021 120.500 -0.071 0.000 2.148 29 R HA 0.144 4.484 4.340 0.000 0.000 0.227 29 R C 2.313 178.579 176.300 -0.057 0.000 1.103 29 R CA 0.703 56.770 56.100 -0.056 0.000 0.983 29 R CB -0.245 30.024 30.300 -0.052 0.000 0.874 29 R HN 0.385 nan 8.270 nan 0.000 0.451 30 I N 1.004 121.532 120.570 -0.070 0.000 2.584 30 I HA -0.146 4.025 4.170 0.000 0.000 0.255 30 I C 2.021 178.108 176.117 -0.050 0.000 1.145 30 I CA 0.823 62.087 61.300 -0.060 0.000 1.462 30 I CB 0.222 38.180 38.000 -0.070 0.000 1.102 30 I HN 0.117 nan 8.210 nan 0.000 0.433 31 I N -1.937 118.601 120.570 -0.053 0.000 3.226 31 I HA 0.126 4.296 4.170 0.000 0.000 0.277 31 I C 2.243 178.341 176.117 -0.033 0.000 1.243 31 I CA 0.919 62.197 61.300 -0.037 0.000 1.459 31 I CB -0.416 37.565 38.000 -0.032 0.000 1.093 31 I HN -0.019 nan 8.210 nan 0.000 0.453 32 A N 1.398 124.195 122.820 -0.038 0.000 2.016 32 A HA -0.033 4.288 4.320 0.000 0.000 0.217 32 A C 2.127 179.690 177.584 -0.034 0.000 1.162 32 A CA 1.083 53.098 52.037 -0.035 0.000 0.662 32 A CB -0.472 18.504 19.000 -0.040 0.000 0.812 32 A HN 0.565 nan 8.150 nan 0.000 0.450 33 E N -0.840 119.340 120.200 -0.034 0.000 2.435 33 E HA -0.032 4.318 4.350 0.000 0.000 0.195 33 E C 1.411 177.995 176.600 -0.027 0.000 1.029 33 E CA 0.824 57.205 56.400 -0.031 0.000 0.865 33 E CB 0.007 29.688 29.700 -0.032 0.000 0.833 33 E HN 0.535 nan 8.360 nan 0.000 0.510 34 T N 0.387 114.925 114.554 -0.025 0.000 2.904 34 T HA -0.088 4.262 4.350 0.000 0.000 0.267 34 T C 1.953 176.642 174.700 -0.019 0.000 1.059 34 T CA 1.218 63.306 62.100 -0.020 0.000 1.137 34 T CB 0.146 69.004 68.868 -0.018 0.000 0.879 34 T HN 0.178 nan 8.240 nan 0.000 0.467 35 V N -1.070 118.832 119.914 -0.020 0.000 3.660 35 V HA 0.347 4.467 4.120 0.000 0.000 0.276 35 V C 2.022 178.103 176.094 -0.022 0.000 1.317 35 V CA 0.042 62.331 62.300 -0.019 0.000 1.097 35 V CB -0.552 31.260 31.823 -0.017 0.000 0.863 35 V HN 0.166 nan 8.190 nan 0.000 0.438 36 R N 2.202 122.686 120.500 -0.026 0.000 2.139 36 R HA -0.127 4.213 4.340 0.000 0.000 0.243 36 R C 2.413 178.696 176.300 -0.028 0.000 1.145 36 R CA 1.911 57.994 56.100 -0.029 0.000 0.976 36 R CB -0.362 29.919 30.300 -0.031 0.000 0.866 36 R HN 0.792 nan 8.270 nan 0.000 0.449 37 S N -0.810 114.876 115.700 -0.024 0.000 2.603 37 S HA -0.054 4.416 4.470 0.000 0.000 0.220 37 S C 1.652 176.240 174.600 -0.021 0.000 0.967 37 S CA 0.955 59.141 58.200 -0.023 0.000 0.920 37 S CB 0.134 63.322 63.200 -0.021 0.000 0.773 37 S HN 0.406 nan 8.310 nan 0.000 0.529 38 T N -0.809 113.733 114.554 -0.019 0.000 3.065 38 T HA 0.321 4.671 4.350 0.000 0.000 0.252 38 T C 0.461 175.151 174.700 -0.017 0.000 1.099 38 T CA -0.400 61.691 62.100 -0.015 0.000 1.063 38 T CB -0.467 68.395 68.868 -0.011 0.000 0.948 38 T HN 0.380 nan 8.240 nan 0.000 0.506 39 L N 2.244 123.453 121.223 -0.024 0.000 2.361 39 L HA 0.545 4.885 4.340 0.000 0.000 0.278 39 L C 0.737 177.586 176.870 -0.034 0.000 1.113 39 L CA 1.034 55.858 54.840 -0.027 0.000 0.849 39 L CB -0.222 41.819 42.059 -0.031 0.000 1.155 39 L HN 0.707 nan 8.230 nan 0.000 0.452 40 G N 4.124 112.906 108.800 -0.030 0.000 2.541 40 G HA2 -0.149 3.811 3.960 0.000 0.000 0.686 40 G HA3 -0.149 3.811 3.960 0.000 0.000 0.686 40 G C -2.664 172.218 174.900 -0.030 0.000 1.286 40 G CA -0.485 44.588 45.100 -0.044 0.000 0.894 40 G HN 0.434 nan 8.290 nan 0.000 0.575 41 P HA 0.083 nan 4.420 nan 0.000 0.221 41 P C 1.263 178.552 177.300 -0.019 0.000 1.150 41 P CA 1.144 64.249 63.100 0.010 0.000 0.800 41 P CB 0.172 31.887 31.700 0.024 0.000 0.787 42 K N -0.257 120.087 120.400 -0.094 0.000 2.437 42 K HA 0.270 4.590 4.320 0.000 0.000 0.205 42 K C 1.034 177.607 176.600 -0.045 0.000 1.026 42 K CA -0.016 56.225 56.287 -0.076 0.000 1.153 42 K CB 0.274 32.694 32.500 -0.132 0.000 0.863 42 K HN 0.084 nan 8.250 nan 0.000 0.502 43 G N 0.802 109.583 108.800 -0.032 0.000 2.562 43 G HA2 0.393 4.353 3.960 0.000 0.000 0.275 43 G HA3 0.393 4.353 3.960 0.000 0.000 0.275 43 G C 0.008 174.901 174.900 -0.010 0.000 1.196 43 G CA -0.463 44.623 45.100 -0.023 0.000 0.908 43 G HN -0.052 nan 8.290 nan 0.000 0.524 44 M N 0.452 120.046 119.600 -0.011 0.000 2.644 44 M HA 0.344 4.825 4.480 0.000 0.000 0.316 44 M C -0.944 175.353 176.300 -0.006 0.000 1.200 44 M CA -0.773 54.523 55.300 -0.007 0.000 0.944 44 M CB 1.976 34.570 32.600 -0.009 0.000 1.691 44 M HN 0.364 nan 8.290 nan 0.000 0.471 45 D N 1.554 121.951 120.400 -0.004 0.000 2.348 45 D HA 0.432 5.072 4.640 0.000 0.000 0.249 45 D C -0.221 176.073 176.300 -0.009 0.000 1.110 45 D CA -0.148 53.849 54.000 -0.004 0.000 0.967 45 D CB 1.106 41.905 40.800 -0.002 0.000 1.139 45 D HN 0.181 nan 8.370 nan 0.000 0.466 46 K N 0.569 120.963 120.400 -0.010 0.000 2.259 46 K HA 0.446 4.766 4.320 0.000 0.000 0.249 46 K C -0.518 176.071 176.600 -0.018 0.000 0.942 46 K CA -0.756 55.524 56.287 -0.013 0.000 0.816 46 K CB 2.464 34.958 32.500 -0.010 0.000 1.155 46 K HN 0.403 nan 8.250 nan 0.000 0.428 47 M N 3.445 123.031 119.600 -0.024 0.000 2.101 47 M HA 0.283 4.763 4.480 0.000 0.000 0.340 47 M C -1.634 174.650 176.300 -0.028 0.000 1.057 47 M CA -0.865 54.414 55.300 -0.035 0.000 0.984 47 M CB 0.470 33.043 32.600 -0.046 0.000 1.560 47 M HN 0.362 nan 8.290 nan 0.000 0.435 48 L N 6.218 127.426 121.223 -0.025 0.000 2.287 48 L HA 0.604 4.944 4.340 0.000 0.000 0.287 48 L C -0.830 176.031 176.870 -0.014 0.000 1.022 48 L CA -0.356 54.475 54.840 -0.014 0.000 0.814 48 L CB 1.783 43.840 42.059 -0.004 0.000 1.217 48 L HN 0.458 nan 8.230 nan 0.000 0.420 49 V N 2.028 121.935 119.914 -0.010 0.000 2.628 49 V HA 0.585 4.705 4.120 0.000 0.000 0.306 49 V C -0.351 175.744 176.094 0.001 0.000 1.045 49 V CA -0.774 61.522 62.300 -0.006 0.000 0.905 49 V CB 1.839 33.656 31.823 -0.011 0.000 0.997 49 V HN 0.824 nan 8.190 nan 0.000 0.436 50 D N 1.695 122.099 120.400 0.007 0.000 2.589 50 D HA 0.218 4.858 4.640 0.000 0.000 0.268 50 D C 0.571 176.876 176.300 0.008 0.000 1.182 50 D CA -0.191 53.814 54.000 0.008 0.000 1.087 50 D CB 0.353 41.160 40.800 0.012 0.000 1.186 50 D HN 0.513 nan 8.370 nan 0.000 0.620 51 D N -0.943 119.463 120.400 0.008 0.000 2.277 51 D HA -0.052 4.588 4.640 0.000 0.000 0.208 51 D C 1.801 178.106 176.300 0.008 0.000 0.962 51 D CA 0.635 54.639 54.000 0.008 0.000 0.865 51 D CB -0.339 40.465 40.800 0.007 0.000 0.939 51 D HN 0.255 nan 8.370 nan 0.000 0.510 52 L N -0.758 120.471 121.223 0.011 0.000 2.509 52 L HA 0.321 4.661 4.340 0.000 0.000 0.222 52 L C 1.647 178.525 176.870 0.014 0.000 1.123 52 L CA 0.554 55.401 54.840 0.012 0.000 0.856 52 L CB 0.106 42.173 42.059 0.014 0.000 0.985 52 L HN 0.393 nan 8.230 nan 0.000 0.456 53 G N -0.725 108.083 108.800 0.013 0.000 2.176 53 G HA2 -0.218 3.742 3.960 0.000 0.000 0.232 53 G HA3 -0.218 3.742 3.960 0.000 0.000 0.232 53 G C -0.141 174.771 174.900 0.021 0.000 0.986 53 G CA -0.249 44.859 45.100 0.013 0.000 0.643 53 G HN 0.279 nan 8.290 nan 0.000 0.522 54 D N 0.683 121.100 120.400 0.028 0.000 2.371 54 D HA 0.384 5.024 4.640 0.000 0.000 0.256 54 D C 0.376 176.703 176.300 0.044 0.000 1.193 54 D CA 0.258 54.287 54.000 0.049 0.000 0.881 54 D CB 1.997 42.826 40.800 0.047 0.000 1.143 54 D HN 0.339 nan 8.370 nan 0.000 0.473 55 V N 3.492 123.437 119.914 0.052 0.000 2.472 55 V HA 0.487 4.607 4.120 0.000 0.000 0.290 55 V C -0.750 175.352 176.094 0.014 0.000 1.037 55 V CA -0.504 61.785 62.300 -0.018 0.000 0.908 55 V CB 1.948 33.699 31.823 -0.119 0.000 0.985 55 V HN 0.239 nan 8.190 nan 0.000 0.454 56 V N 7.031 126.942 119.914 -0.005 0.000 2.525 56 V HA 0.543 4.664 4.120 0.000 0.000 0.299 56 V C -0.722 175.364 176.094 -0.014 0.000 1.034 56 V CA -0.302 62.020 62.300 0.036 0.000 0.863 56 V CB 2.243 34.117 31.823 0.085 0.000 0.999 56 V HN 0.764 nan 8.190 nan 0.000 0.423 57 V N 6.076 125.973 119.914 -0.029 0.000 2.350 57 V HA 0.704 4.824 4.120 0.000 0.000 0.276 57 V C 0.213 176.313 176.094 0.010 0.000 1.028 57 V CA 0.059 62.343 62.300 -0.027 0.000 0.860 57 V CB 1.461 33.252 31.823 -0.053 0.000 0.990 57 V HN 0.975 nan 8.190 nan 0.000 0.453 58 T N 2.940 117.498 114.554 0.007 0.000 2.868 58 T HA 0.298 4.648 4.350 0.000 0.000 0.306 58 T C 0.279 174.983 174.700 0.007 0.000 1.224 58 T CA -0.522 61.586 62.100 0.013 0.000 1.012 58 T CB 1.949 70.828 68.868 0.018 0.000 1.221 58 T HN 0.604 nan 8.240 nan 0.000 0.499 59 N N 1.416 120.121 118.700 0.009 0.000 2.220 59 N HA 0.062 4.802 4.740 0.000 0.000 0.195 59 N C -0.391 175.122 175.510 0.004 0.000 1.123 59 N CA -0.037 53.017 53.050 0.005 0.000 0.874 59 N CB 0.361 38.852 38.487 0.008 0.000 0.995 59 N HN 0.625 nan 8.380 nan 0.000 0.498 60 D N -0.197 120.207 120.400 0.006 0.000 2.401 60 D HA 0.154 4.794 4.640 0.000 0.000 0.254 60 D C 1.354 177.655 176.300 0.002 0.000 1.192 60 D CA 0.162 54.165 54.000 0.005 0.000 0.885 60 D CB 1.103 41.908 40.800 0.008 0.000 1.147 60 D HN 0.272 nan 8.370 nan 0.000 0.478 61 G N 2.661 111.460 108.800 -0.001 0.000 2.484 61 G HA2 -0.239 3.721 3.960 0.000 0.000 0.215 61 G HA3 -0.239 3.721 3.960 0.000 0.000 0.215 61 G C 1.582 176.481 174.900 -0.002 0.000 1.219 61 G CA 0.688 45.786 45.100 -0.004 0.000 0.791 61 G HN 0.494 nan 8.290 nan 0.000 0.550 62 V N 1.860 121.774 119.914 -0.001 0.000 2.324 62 V HA -0.229 3.891 4.120 0.000 0.000 0.250 62 V C 3.271 179.367 176.094 0.003 0.000 1.060 62 V CA 3.441 65.742 62.300 0.001 0.000 1.042 62 V CB -0.908 30.916 31.823 0.002 0.000 0.650 62 V HN 0.641 nan 8.190 nan 0.000 0.450 63 T N -2.018 112.539 114.554 0.005 0.000 2.962 63 T HA -0.093 4.257 4.350 0.000 0.000 0.270 63 T C 1.763 176.467 174.700 0.007 0.000 1.088 63 T CA 1.773 63.877 62.100 0.007 0.000 1.127 63 T CB -0.484 68.391 68.868 0.010 0.000 0.883 63 T HN 0.525 nan 8.240 nan 0.000 0.493 64 I N 0.708 121.281 120.570 0.004 0.000 2.193 64 I HA -0.027 4.143 4.170 0.000 0.000 0.240 64 I C 2.484 178.603 176.117 0.003 0.000 1.084 64 I CA 1.085 62.386 61.300 0.003 0.000 1.365 64 I CB -0.331 37.668 38.000 -0.001 0.000 1.064 64 I HN 0.178 nan 8.210 nan 0.000 0.410 65 L N 0.130 121.354 121.223 0.001 0.000 2.083 65 L HA -0.185 4.155 4.340 0.000 0.000 0.209 65 L C 2.762 179.636 176.870 0.006 0.000 1.083 65 L CA 1.329 56.171 54.840 0.002 0.000 0.752 65 L CB -0.600 41.459 42.059 0.000 0.000 0.899 65 L HN 0.163 nan 8.230 nan 0.000 0.433 66 R N 0.313 120.817 120.500 0.006 0.000 2.066 66 R HA -0.100 4.240 4.340 0.000 0.000 0.232 66 R C 0.868 177.174 176.300 0.009 0.000 1.131 66 R CA 1.130 57.235 56.100 0.008 0.000 0.955 66 R CB -0.055 30.250 30.300 0.008 0.000 0.851 66 R HN 0.405 nan 8.270 nan 0.000 0.432 67 E N 0.949 121.154 120.200 0.009 0.000 2.411 67 E HA 0.110 4.461 4.350 0.000 0.000 0.228 67 E C -0.299 176.307 176.600 0.009 0.000 1.169 67 E CA -0.199 56.207 56.400 0.011 0.000 1.421 67 E CB 0.383 30.091 29.700 0.013 0.000 1.333 67 E HN 0.259 nan 8.360 nan 0.000 0.434 68 M N -2.290 117.315 119.600 0.009 0.000 2.446 68 M HA 0.476 4.957 4.480 0.000 0.000 0.294 68 M C -0.796 175.511 176.300 0.011 0.000 1.158 68 M CA -0.786 54.519 55.300 0.008 0.000 0.899 68 M CB 2.153 34.756 32.600 0.006 0.000 1.687 68 M HN -0.328 nan 8.290 nan 0.000 0.455 69 S N 2.551 118.258 115.700 0.012 0.000 2.686 69 S HA 0.325 4.796 4.470 0.000 0.000 0.324 69 S C -0.257 174.355 174.600 0.020 0.000 1.172 69 S CA -0.510 57.699 58.200 0.015 0.000 1.127 69 S CB -0.670 62.538 63.200 0.013 0.000 1.338 69 S HN 0.455 nan 8.310 nan 0.000 0.547 70 V N 3.973 123.901 119.914 0.024 0.000 2.394 70 V HA 0.322 4.442 4.120 0.000 0.000 0.282 70 V C 0.796 176.917 176.094 0.044 0.000 1.031 70 V CA -0.402 61.919 62.300 0.035 0.000 0.881 70 V CB 1.589 33.431 31.823 0.032 0.000 0.982 70 V HN 0.660 nan 8.190 nan 0.000 0.451 71 E N 1.036 121.272 120.200 0.060 0.000 2.453 71 E HA 0.082 4.432 4.350 0.000 0.000 0.211 71 E C 0.533 177.176 176.600 0.071 0.000 0.897 71 E CA -0.066 56.364 56.400 0.051 0.000 1.063 71 E CB 0.247 29.965 29.700 0.031 0.000 1.080 71 E HN 0.691 nan 8.360 nan 0.000 0.512 72 H N 3.885 122.963 119.070 0.013 0.000 2.955 72 H HA 0.039 4.596 4.556 0.000 0.000 0.290 72 H C -1.539 173.799 175.328 0.018 0.000 1.047 72 H CA -1.610 54.447 56.048 0.016 0.000 1.484 72 H CB 1.199 30.964 29.762 0.005 0.000 1.501 72 H HN -0.137 nan 8.280 nan 0.000 0.521 73 P HA -0.200 nan 4.420 nan 0.000 0.217 73 P C 1.124 178.544 177.300 0.201 0.000 1.151 73 P CA 1.855 65.036 63.100 0.135 0.000 0.849 73 P CB 0.119 31.852 31.700 0.056 0.000 0.787 74 A N 0.173 123.211 122.820 0.362 0.000 1.930 74 A HA 0.019 4.339 4.320 0.000 0.000 0.217 74 A C 2.476 180.090 177.584 0.051 0.000 1.175 74 A CA 1.934 54.062 52.037 0.152 0.000 0.627 74 A CB -1.404 17.644 19.000 0.080 0.000 0.815 74 A HN 0.230 nan 8.150 nan 0.000 0.443 75 A N 0.071 122.912 122.820 0.035 0.000 1.873 75 A HA -0.146 4.174 4.320 0.000 0.000 0.215 75 A C 2.058 179.662 177.584 0.033 0.000 1.186 75 A CA 1.783 53.821 52.037 0.002 0.000 0.616 75 A CB -0.469 18.524 19.000 -0.011 0.000 0.823 75 A HN 0.514 nan 8.150 nan 0.000 0.442 76 K N -0.995 119.443 120.400 0.062 0.000 2.160 76 K HA -0.111 4.209 4.320 0.000 0.000 0.206 76 K C 1.871 178.492 176.600 0.036 0.000 1.047 76 K CA 1.810 58.125 56.287 0.046 0.000 0.930 76 K CB -0.253 32.278 32.500 0.051 0.000 0.720 76 K HN 0.510 nan 8.250 nan 0.000 0.450 77 M N -0.315 119.310 119.600 0.040 0.000 2.506 77 M HA -0.040 4.441 4.480 0.000 0.000 0.260 77 M C 1.544 177.859 176.300 0.024 0.000 1.104 77 M CA 0.612 55.932 55.300 0.034 0.000 1.112 77 M CB 0.281 32.906 32.600 0.041 0.000 1.401 77 M HN 0.079 nan 8.290 nan 0.000 0.473 78 L N -0.289 120.944 121.223 0.017 0.000 2.477 78 L HA 0.124 4.464 4.340 0.000 0.000 0.220 78 L C 1.778 178.651 176.870 0.005 0.000 1.106 78 L CA 0.826 55.670 54.840 0.007 0.000 0.851 78 L CB -0.013 42.044 42.059 -0.005 0.000 0.994 78 L HN 0.182 nan 8.230 nan 0.000 0.462 79 I N -0.753 119.821 120.570 0.008 0.000 2.394 79 I HA -0.192 3.978 4.170 0.000 0.000 0.251 79 I C 1.987 178.109 176.117 0.009 0.000 1.136 79 I CA 0.662 61.966 61.300 0.007 0.000 1.425 79 I CB -0.234 37.772 38.000 0.011 0.000 1.079 79 I HN 0.252 nan 8.210 nan 0.000 0.425 80 E N 0.524 120.731 120.200 0.013 0.000 2.209 80 E HA -0.170 4.181 4.350 0.000 0.000 0.196 80 E C 2.366 178.972 176.600 0.011 0.000 0.993 80 E CA 1.112 57.520 56.400 0.013 0.000 0.819 80 E CB -0.157 29.553 29.700 0.017 0.000 0.745 80 E HN 0.378 nan 8.360 nan 0.000 0.477 81 V N 1.147 121.067 119.914 0.009 0.000 2.453 81 V HA -0.184 3.936 4.120 0.000 0.000 0.247 81 V C 2.350 178.446 176.094 0.003 0.000 1.048 81 V CA 1.690 63.994 62.300 0.007 0.000 1.049 81 V CB -0.556 31.270 31.823 0.004 0.000 0.672 81 V HN 0.247 nan 8.190 nan 0.000 0.457 82 A N -0.531 122.290 122.820 0.001 0.000 1.930 82 A HA -0.136 4.184 4.320 0.000 0.000 0.215 82 A C 2.307 179.892 177.584 0.002 0.000 1.176 82 A CA 1.562 53.599 52.037 -0.000 0.000 0.632 82 A CB -0.365 18.634 19.000 -0.002 0.000 0.819 82 A HN 0.452 nan 8.150 nan 0.000 0.445 83 K N -0.168 120.235 120.400 0.004 0.000 2.097 83 K HA -0.135 4.185 4.320 0.000 0.000 0.206 83 K C 1.736 178.339 176.600 0.005 0.000 1.049 83 K CA 1.778 58.068 56.287 0.005 0.000 0.933 83 K CB -0.166 32.338 32.500 0.007 0.000 0.717 83 K HN 0.603 nan 8.250 nan 0.000 0.442 84 T N -2.151 112.407 114.554 0.006 0.000 3.144 84 T HA 0.029 4.379 4.350 0.000 0.000 0.249 84 T C 1.408 176.111 174.700 0.005 0.000 1.089 84 T CA 0.074 62.178 62.100 0.006 0.000 0.989 84 T CB 0.516 69.389 68.868 0.008 0.000 0.992 84 T HN 0.158 nan 8.240 nan 0.000 0.540 85 Q N 1.938 121.740 119.800 0.004 0.000 2.259 85 Q HA 0.039 4.379 4.340 0.000 0.000 0.201 85 Q C 2.188 178.189 176.000 0.002 0.000 0.938 85 Q CA 1.394 57.199 55.803 0.002 0.000 0.872 85 Q CB -0.083 28.655 28.738 0.000 0.000 0.971 85 Q HN 0.820 nan 8.270 nan 0.000 0.494 86 E N -0.342 119.859 120.200 0.001 0.000 2.150 86 E HA -0.215 4.135 4.350 0.000 0.000 0.193 86 E C 1.737 178.337 176.600 0.001 0.000 0.985 86 E CA 1.137 57.538 56.400 0.001 0.000 0.814 86 E CB -0.143 29.558 29.700 0.001 0.000 0.752 86 E HN 0.057 nan 8.360 nan 0.000 0.466 87 K N 0.656 121.057 120.400 0.002 0.000 2.097 87 K HA -0.097 4.223 4.320 0.000 0.000 0.205 87 K C 1.845 178.445 176.600 0.001 0.000 1.050 87 K CA 1.439 57.726 56.287 0.001 0.000 0.938 87 K CB 0.260 32.761 32.500 0.003 0.000 0.718 87 K HN 0.110 nan 8.250 nan 0.000 0.442 88 E N -1.154 119.047 120.200 0.002 0.000 2.340 88 E HA 0.064 4.414 4.350 0.000 0.000 0.198 88 E C 1.454 178.055 176.600 0.001 0.000 0.961 88 E CA 0.514 56.915 56.400 0.002 0.000 0.905 88 E CB 0.813 30.515 29.700 0.003 0.000 0.884 88 E HN 0.105 nan 8.360 nan 0.000 0.491 89 V N -1.425 118.490 119.914 0.001 0.000 3.029 89 V HA 0.330 4.450 4.120 0.000 0.000 0.230 89 V C 1.539 177.633 176.094 0.000 0.000 1.254 89 V CA 0.899 63.200 62.300 0.001 0.000 1.276 89 V CB 0.835 32.658 31.823 0.001 0.000 1.080 89 V HN 0.322 nan 8.190 nan 0.000 0.495 90 G N 0.453 109.253 108.800 0.000 0.000 2.376 90 G HA2 -0.176 3.784 3.960 0.000 0.000 0.208 90 G HA3 -0.176 3.784 3.960 0.000 0.000 0.208 90 G C -0.148 174.753 174.900 0.001 0.000 1.032 90 G CA 0.298 45.398 45.100 0.000 0.000 0.641 90 G HN 0.574 nan 8.290 nan 0.000 0.503 91 D N -0.959 119.442 120.400 0.001 0.000 2.547 91 D HA 0.600 5.240 4.640 0.000 0.000 0.231 91 D C 0.890 177.190 176.300 0.000 0.000 1.099 91 D CA 0.796 54.797 54.000 0.002 0.000 0.901 91 D CB 1.118 41.920 40.800 0.003 0.000 1.478 91 D HN 1.433 nan 8.370 nan 0.000 0.471 92 G N 0.783 109.582 108.800 -0.001 0.000 2.131 92 G HA2 -0.280 3.680 3.960 0.000 0.000 0.223 92 G HA3 -0.280 3.680 3.960 0.000 0.000 0.223 92 G C 0.949 175.845 174.900 -0.007 0.000 0.990 92 G CA 0.982 46.079 45.100 -0.005 0.000 0.671 92 G HN 0.734 nan 8.290 nan 0.000 0.521 93 T N -2.996 111.555 114.554 -0.005 0.000 2.857 93 T HA -0.033 4.317 4.350 0.000 0.000 0.266 93 T C 2.238 176.932 174.700 -0.010 0.000 1.048 93 T CA 2.442 64.538 62.100 -0.006 0.000 1.139 93 T CB -0.410 68.457 68.868 -0.003 0.000 0.874 93 T HN 0.277 nan 8.240 nan 0.000 0.455 94 T N 2.677 117.224 114.554 -0.011 0.000 2.812 94 T HA -0.081 4.269 4.350 0.000 0.000 0.264 94 T C 2.476 177.162 174.700 -0.023 0.000 1.042 94 T CA 1.879 63.969 62.100 -0.016 0.000 1.140 94 T CB -0.937 67.922 68.868 -0.016 0.000 0.870 94 T HN 0.787 nan 8.240 nan 0.000 0.445 95 T N 1.381 115.921 114.554 -0.023 0.000 2.759 95 T HA -0.037 4.313 4.350 0.000 0.000 0.269 95 T C 2.245 176.924 174.700 -0.036 0.000 1.042 95 T CA 1.128 63.210 62.100 -0.031 0.000 1.140 95 T CB -0.598 68.254 68.868 -0.027 0.000 0.864 95 T HN 0.346 nan 8.240 nan 0.000 0.455 96 A N 0.832 123.636 122.820 -0.027 0.000 1.930 96 A HA 0.151 4.471 4.320 0.000 0.000 0.217 96 A C 2.595 180.160 177.584 -0.032 0.000 1.175 96 A CA 1.332 53.353 52.037 -0.027 0.000 0.627 96 A CB -0.834 18.157 19.000 -0.015 0.000 0.815 96 A HN 0.427 nan 8.150 nan 0.000 0.443 97 V N -0.630 119.267 119.914 -0.028 0.000 2.407 97 V HA -0.150 3.970 4.120 0.000 0.000 0.245 97 V C 2.516 178.586 176.094 -0.040 0.000 1.041 97 V CA 1.665 63.948 62.300 -0.029 0.000 1.040 97 V CB -0.438 31.372 31.823 -0.022 0.000 0.671 97 V HN 0.342 nan 8.190 nan 0.000 0.455 98 V N -0.254 119.634 119.914 -0.044 0.000 2.490 98 V HA -0.190 3.930 4.120 0.000 0.000 0.250 98 V C 2.374 178.424 176.094 -0.072 0.000 1.061 98 V CA 1.627 63.895 62.300 -0.053 0.000 1.064 98 V CB -0.250 31.544 31.823 -0.049 0.000 0.670 98 V HN 0.399 nan 8.190 nan 0.000 0.461 99 V N 0.197 120.060 119.914 -0.085 0.000 2.323 99 V HA -0.186 3.934 4.120 0.000 0.000 0.244 99 V C 2.718 178.729 176.094 -0.140 0.000 1.041 99 V CA 1.811 64.033 62.300 -0.130 0.000 1.025 99 V CB -0.994 30.743 31.823 -0.142 0.000 0.656 99 V HN 0.545 nan 8.190 nan 0.000 0.451 100 A N 0.541 123.304 122.820 -0.095 0.000 1.948 100 A HA -0.169 4.151 4.320 0.000 0.000 0.220 100 A C 2.376 179.930 177.584 -0.050 0.000 1.177 100 A CA 2.164 54.163 52.037 -0.064 0.000 0.636 100 A CB -1.203 17.779 19.000 -0.031 0.000 0.815 100 A HN 0.547 nan 8.150 nan 0.000 0.449 101 G N -0.791 107.977 108.800 -0.053 0.000 2.404 101 G HA2 -0.201 3.759 3.960 0.000 0.000 0.215 101 G HA3 -0.201 3.759 3.960 0.000 0.000 0.215 101 G C 1.448 176.320 174.900 -0.047 0.000 1.174 101 G CA 1.173 46.246 45.100 -0.045 0.000 0.780 101 G HN 0.574 nan 8.290 nan 0.000 0.537 102 E N -0.038 120.120 120.200 -0.070 0.000 2.347 102 E HA 0.101 4.451 4.350 0.000 0.000 0.196 102 E C 2.398 178.952 176.600 -0.077 0.000 1.008 102 E CA 0.214 56.569 56.400 -0.074 0.000 0.852 102 E CB -0.237 29.406 29.700 -0.095 0.000 0.783 102 E HN 0.447 nan 8.360 nan 0.000 0.505 103 L N -0.265 120.897 121.223 -0.101 0.000 2.156 103 L HA -0.075 4.266 4.340 0.000 0.000 0.208 103 L C 2.090 179.036 176.870 0.128 0.000 1.095 103 L CA 0.575 55.381 54.840 -0.057 0.000 0.770 103 L CB -0.172 41.798 42.059 -0.149 0.000 0.914 103 L HN 0.238 nan 8.230 nan 0.000 0.439 104 L N -0.751 120.508 121.223 0.060 0.000 2.095 104 L HA -0.148 4.192 4.340 0.000 0.000 0.204 104 L C 2.795 179.684 176.870 0.032 0.000 1.080 104 L CA 0.929 55.801 54.840 0.054 0.000 0.759 104 L CB -0.415 41.653 42.059 0.015 0.000 0.914 104 L HN 0.216 nan 8.230 nan 0.000 0.439 105 R N 0.448 120.955 120.500 0.011 0.000 2.083 105 R HA -0.162 4.179 4.340 0.000 0.000 0.237 105 R C 2.092 178.406 176.300 0.023 0.000 1.137 105 R CA 1.293 57.395 56.100 0.003 0.000 0.951 105 R CB 0.051 30.343 30.300 -0.013 0.000 0.851 105 R HN 0.112 nan 8.270 nan 0.000 0.434 106 K N -0.061 120.367 120.400 0.046 0.000 2.439 106 K HA -0.020 4.300 4.320 0.000 0.000 0.197 106 K C 1.611 178.276 176.600 0.107 0.000 1.041 106 K CA 0.946 57.278 56.287 0.075 0.000 0.970 106 K CB 0.213 32.764 32.500 0.086 0.000 0.773 106 K HN 0.292 nan 8.250 nan 0.000 0.479 107 A N 1.537 124.416 122.820 0.099 0.000 1.984 107 A HA -0.114 4.207 4.320 0.000 0.000 0.214 107 A C 1.960 179.538 177.584 -0.011 0.000 1.173 107 A CA 0.865 52.919 52.037 0.028 0.000 0.673 107 A CB -0.129 18.872 19.000 0.002 0.000 0.830 107 A HN 0.447 nan 8.150 nan 0.000 0.453 108 E N 0.267 120.466 120.200 -0.001 0.000 2.285 108 E HA -0.113 4.237 4.350 0.000 0.000 0.194 108 E C 1.281 177.876 176.600 -0.009 0.000 0.997 108 E CA 0.946 57.338 56.400 -0.013 0.000 0.845 108 E CB -0.316 29.375 29.700 -0.015 0.000 0.782 108 E HN 0.684 nan 8.360 nan 0.000 0.491 109 E N 0.832 121.034 120.200 0.003 0.000 2.268 109 E HA -0.079 4.271 4.350 0.000 0.000 0.195 109 E C 1.930 178.533 176.600 0.004 0.000 0.995 109 E CA 0.769 57.172 56.400 0.005 0.000 0.836 109 E CB 0.023 29.732 29.700 0.015 0.000 0.763 109 E HN 0.394 nan 8.360 nan 0.000 0.491 110 L N 0.022 121.245 121.223 0.001 0.000 2.249 110 L HA -0.008 4.332 4.340 0.000 0.000 0.207 110 L C 2.162 179.021 176.870 -0.017 0.000 1.090 110 L CA 0.343 55.180 54.840 -0.005 0.000 0.802 110 L CB -0.071 41.981 42.059 -0.011 0.000 0.947 110 L HN 0.126 nan 8.230 nan 0.000 0.453 111 L N -0.331 120.875 121.223 -0.028 0.000 2.217 111 L HA -0.133 4.207 4.340 0.000 0.000 0.211 111 L C 1.452 178.305 176.870 -0.029 0.000 1.107 111 L CA 0.859 55.676 54.840 -0.038 0.000 0.783 111 L CB -0.333 41.698 42.059 -0.046 0.000 0.919 111 L HN 0.205 nan 8.230 nan 0.000 0.442 112 D N -0.659 119.729 120.400 -0.020 0.000 2.347 112 D HA -0.089 4.552 4.640 0.000 0.000 0.213 112 D C 1.586 177.880 176.300 -0.010 0.000 0.985 112 D CA 0.617 54.607 54.000 -0.016 0.000 0.879 112 D CB 0.188 40.981 40.800 -0.013 0.000 0.919 112 D HN 0.295 nan 8.370 nan 0.000 0.526 113 Q N 0.090 119.885 119.800 -0.008 0.000 2.246 113 Q HA 0.166 4.507 4.340 0.000 0.000 0.202 113 Q C -0.138 175.861 176.000 -0.002 0.000 0.883 113 Q CA -0.119 55.682 55.803 -0.003 0.000 0.952 113 Q CB 0.402 29.141 28.738 0.002 0.000 1.078 113 Q HN 0.132 nan 8.270 nan 0.000 0.493 114 N N -0.809 117.886 118.700 -0.009 0.000 2.878 114 N HA -0.137 4.603 4.740 0.000 0.000 0.247 114 N C -0.686 174.827 175.510 0.004 0.000 1.021 114 N CA 0.494 53.539 53.050 -0.008 0.000 0.873 114 N CB -1.489 36.998 38.487 -0.000 0.000 1.128 114 N HN 0.051 nan 8.380 nan 0.000 0.571 115 V N 2.563 122.479 119.914 0.004 0.000 2.446 115 V HA -0.008 4.112 4.120 0.000 0.000 0.276 115 V C 1.268 177.380 176.094 0.032 0.000 1.030 115 V CA -0.161 62.152 62.300 0.022 0.000 1.033 115 V CB 0.543 32.371 31.823 0.009 0.000 0.993 115 V HN 0.229 nan 8.190 nan 0.000 0.477 116 H N 8.433 127.488 119.070 -0.025 0.000 3.064 116 H HA -0.003 4.553 4.556 0.000 0.000 0.329 116 H C -1.592 173.713 175.328 -0.039 0.000 1.020 116 H CA -1.024 55.009 56.048 -0.026 0.000 1.402 116 H CB 1.475 31.226 29.762 -0.019 0.000 1.379 116 H HN 0.398 nan 8.280 nan 0.000 0.594 117 P HA -0.150 nan 4.420 nan 0.000 0.219 117 P C 1.436 178.797 177.300 0.102 0.000 1.146 117 P CA 2.207 65.317 63.100 0.016 0.000 0.808 117 P CB 0.083 31.754 31.700 -0.048 0.000 0.779 118 T N -3.593 111.139 114.554 0.297 0.000 2.904 118 T HA -0.064 4.286 4.350 0.000 0.000 0.267 118 T C 1.687 176.411 174.700 0.040 0.000 1.059 118 T CA 0.812 62.987 62.100 0.125 0.000 1.137 118 T CB -0.830 68.065 68.868 0.047 0.000 0.879 118 T HN -0.086 nan 8.240 nan 0.000 0.467 119 I N 1.205 121.804 120.570 0.049 0.000 2.500 119 I HA 0.024 4.194 4.170 0.000 0.000 0.252 119 I C 2.591 178.700 176.117 -0.013 0.000 1.142 119 I CA 0.371 61.677 61.300 0.010 0.000 1.451 119 I CB -1.122 36.890 38.000 0.020 0.000 1.093 119 I HN 0.187 nan 8.210 nan 0.000 0.430 120 V N 0.344 120.228 119.914 -0.050 0.000 2.270 120 V HA -0.177 3.943 4.120 0.000 0.000 0.245 120 V C 2.564 178.523 176.094 -0.226 0.000 1.043 120 V CA 1.333 63.523 62.300 -0.184 0.000 1.014 120 V CB -0.500 31.166 31.823 -0.261 0.000 0.645 120 V HN 0.249 nan 8.190 nan 0.000 0.447 121 V N -0.155 119.683 119.914 -0.126 0.000 2.720 121 V HA -0.238 3.882 4.120 0.000 0.000 0.256 121 V C 2.422 178.544 176.094 0.047 0.000 1.082 121 V CA 2.391 64.673 62.300 -0.029 0.000 1.101 121 V CB -0.361 31.465 31.823 0.006 0.000 0.693 121 V HN 0.584 nan 8.190 nan 0.000 0.479 122 K N -0.338 120.078 120.400 0.027 0.000 2.031 122 K HA -0.045 4.275 4.320 0.000 0.000 0.205 122 K C 2.073 178.710 176.600 0.061 0.000 1.049 122 K CA 1.454 57.763 56.287 0.037 0.000 0.939 122 K CB -0.607 31.902 32.500 0.015 0.000 0.717 122 K HN 0.523 nan 8.250 nan 0.000 0.438 123 G N -0.445 108.401 108.800 0.077 0.000 2.422 123 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 123 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 123 G C 1.301 176.325 174.900 0.207 0.000 1.140 123 G CA 0.567 45.740 45.100 0.122 0.000 0.775 123 G HN 0.364 nan 8.290 nan 0.000 0.545 124 Y N -0.022 120.298 120.300 0.032 0.000 2.293 124 Y HA -0.122 4.428 4.550 0.000 0.000 0.291 124 Y C 3.103 178.930 175.900 -0.122 0.000 1.137 124 Y CA 1.176 59.307 58.100 0.051 0.000 1.202 124 Y CB 0.189 38.767 38.460 0.197 0.000 0.990 124 Y HN 0.251 nan 8.280 nan 0.000 0.537 125 Q N -0.020 119.842 119.800 0.104 0.000 2.137 125 Q HA -0.110 4.230 4.340 0.000 0.000 0.198 125 Q C 2.315 178.277 176.000 -0.063 0.000 0.960 125 Q CA 0.869 56.678 55.803 0.009 0.000 0.847 125 Q CB -0.026 28.738 28.738 0.043 0.000 0.915 125 Q HN 0.449 nan 8.270 nan 0.000 0.448 126 A N 0.487 123.293 122.820 -0.024 0.000 2.015 126 A HA -0.029 4.292 4.320 0.000 0.000 0.219 126 A C 2.112 179.660 177.584 -0.059 0.000 1.163 126 A CA 1.444 53.482 52.037 0.003 0.000 0.646 126 A CB -0.486 18.558 19.000 0.073 0.000 0.806 126 A HN 0.484 nan 8.150 nan 0.000 0.448 127 A N -0.477 122.214 122.820 -0.215 0.000 1.935 127 A HA 0.383 4.703 4.320 0.000 0.000 0.214 127 A C 2.360 179.523 177.584 -0.701 0.000 1.178 127 A CA 1.397 53.168 52.037 -0.444 0.000 0.640 127 A CB -0.694 17.927 19.000 -0.632 0.000 0.825 127 A HN 0.916 nan 8.150 nan 0.000 0.447 128 A N -0.896 121.467 122.820 -0.761 0.000 2.066 128 A HA -0.069 4.252 4.320 0.000 0.000 0.218 128 A C 2.047 179.506 177.584 -0.208 0.000 1.157 128 A CA 1.517 53.286 52.037 -0.446 0.000 0.670 128 A CB -0.361 18.514 19.000 -0.207 0.000 0.804 128 A HN 0.597 nan 8.150 nan 0.000 0.453 129 Q N -0.427 119.259 119.800 -0.191 0.000 2.016 129 Q HA -0.186 4.154 4.340 0.000 0.000 0.200 129 Q C 2.098 177.992 176.000 -0.176 0.000 0.978 129 Q CA 1.913 57.636 55.803 -0.133 0.000 0.833 129 Q CB -0.106 28.574 28.738 -0.097 0.000 0.895 129 Q HN 0.453 nan 8.270 nan 0.000 0.427 130 K N 0.103 120.338 120.400 -0.276 0.000 2.147 130 K HA -0.082 4.238 4.320 0.000 0.000 0.205 130 K C 1.595 178.036 176.600 -0.264 0.000 1.049 130 K CA 1.344 57.397 56.287 -0.389 0.000 0.936 130 K CB -0.360 31.646 32.500 -0.823 0.000 0.722 130 K HN 0.271 nan 8.250 nan 0.000 0.446 131 A N 0.210 122.907 122.820 -0.206 0.000 1.969 131 A HA -0.126 4.194 4.320 0.000 0.000 0.218 131 A C 1.967 179.514 177.584 -0.063 0.000 1.169 131 A CA 1.129 53.107 52.037 -0.098 0.000 0.635 131 A CB -0.365 18.624 19.000 -0.019 0.000 0.810 131 A HN 0.314 nan 8.150 nan 0.000 0.445 132 Q N 0.038 119.795 119.800 -0.071 0.000 2.083 132 Q HA -0.174 4.166 4.340 0.000 0.000 0.198 132 Q C 1.903 177.873 176.000 -0.050 0.000 0.969 132 Q CA 1.711 57.487 55.803 -0.046 0.000 0.838 132 Q CB -0.321 28.392 28.738 -0.042 0.000 0.900 132 Q HN 1.001 nan 8.270 nan 0.000 0.436 133 E N -0.182 119.973 120.200 -0.075 0.000 2.442 133 E HA -0.017 4.333 4.350 0.000 0.000 0.195 133 E C 1.886 178.447 176.600 -0.065 0.000 1.030 133 E CA 0.115 56.475 56.400 -0.066 0.000 0.869 133 E CB -0.099 29.556 29.700 -0.075 0.000 0.857 133 E HN 0.234 nan 8.360 nan 0.000 0.505 134 L N 0.552 121.729 121.223 -0.077 0.000 2.270 134 L HA 0.023 4.363 4.340 0.000 0.000 0.210 134 L C 2.370 179.223 176.870 -0.028 0.000 1.104 134 L CA 0.407 55.213 54.840 -0.057 0.000 0.804 134 L CB -0.061 41.956 42.059 -0.070 0.000 0.937 134 L HN 0.166 nan 8.230 nan 0.000 0.450 135 L N -0.472 120.737 121.223 -0.024 0.000 2.217 135 L HA -0.159 4.182 4.340 0.000 0.000 0.211 135 L C 2.408 179.272 176.870 -0.009 0.000 1.107 135 L CA 1.031 55.865 54.840 -0.009 0.000 0.783 135 L CB -0.226 41.830 42.059 -0.005 0.000 0.919 135 L HN 0.194 nan 8.230 nan 0.000 0.442 136 K N -0.516 119.875 120.400 -0.015 0.000 2.148 136 K HA -0.131 4.189 4.320 0.000 0.000 0.204 136 K C 2.104 178.699 176.600 -0.010 0.000 1.050 136 K CA 1.839 58.118 56.287 -0.012 0.000 0.942 136 K CB -0.186 32.305 32.500 -0.016 0.000 0.724 136 K HN 0.437 nan 8.250 nan 0.000 0.446 137 T N -0.200 114.347 114.554 -0.011 0.000 2.942 137 T HA -0.038 4.312 4.350 0.000 0.000 0.265 137 T C 1.856 176.554 174.700 -0.003 0.000 1.062 137 T CA 0.727 62.822 62.100 -0.008 0.000 1.139 137 T CB -0.428 68.434 68.868 -0.010 0.000 0.883 137 T HN 0.370 nan 8.240 nan 0.000 0.468 138 I N -0.417 120.152 120.570 -0.001 0.000 3.793 138 I HA 0.574 4.744 4.170 0.000 0.000 0.315 138 I C 0.879 177.000 176.117 0.005 0.000 1.275 138 I CA -0.839 60.464 61.300 0.005 0.000 1.214 138 I CB -0.379 37.629 38.000 0.014 0.000 1.018 138 I HN 0.144 nan 8.210 nan 0.000 0.439 139 A N 1.338 124.160 122.820 0.002 0.000 2.309 139 A HA 0.451 4.771 4.320 0.000 0.000 0.290 139 A C 0.232 177.817 177.584 0.001 0.000 1.206 139 A CA -0.406 51.633 52.037 0.003 0.000 0.850 139 A CB -0.133 18.867 19.000 0.001 0.000 1.118 139 A HN 0.517 nan 8.150 nan 0.000 0.523 140 C N 2.531 121.832 119.300 0.002 0.000 2.662 140 C HA 0.260 4.720 4.460 0.000 0.000 0.420 140 C C 0.665 175.655 174.990 0.001 0.000 1.314 140 C CA -0.517 58.502 59.018 0.001 0.000 1.963 140 C CB -0.401 27.340 27.740 0.001 0.000 2.686 140 C HN 0.749 nan 8.230 nan 0.000 0.609 141 E N 1.528 121.728 120.200 -0.000 0.000 2.200 141 E HA 0.481 4.831 4.350 0.000 0.000 0.283 141 E C -0.735 175.865 176.600 0.001 0.000 1.015 141 E CA -0.028 56.372 56.400 0.000 0.000 0.819 141 E CB 1.542 31.241 29.700 -0.000 0.000 1.081 141 E HN 0.434 nan 8.360 nan 0.000 0.397 142 V N 1.561 121.476 119.914 0.001 0.000 2.709 142 V HA 0.442 4.562 4.120 0.000 0.000 0.308 142 V C 0.427 176.522 176.094 0.001 0.000 1.062 142 V CA -1.003 61.298 62.300 0.001 0.000 0.901 142 V CB 2.296 34.120 31.823 0.002 0.000 1.003 142 V HN 0.767 nan 8.190 nan 0.000 0.425 143 G N 2.135 110.936 108.800 0.002 0.000 2.442 143 G HA2 0.438 4.398 3.960 0.000 0.000 0.249 143 G HA3 0.438 4.398 3.960 0.000 0.000 0.249 143 G C 1.008 175.910 174.900 0.002 0.000 1.263 143 G CA 0.250 45.351 45.100 0.002 0.000 0.846 143 G HN 1.177 nan 8.290 nan 0.000 0.555 144 A N 1.462 124.283 122.820 0.002 0.000 2.186 144 A HA -0.039 4.282 4.320 0.000 0.000 0.219 144 A C 1.767 179.352 177.584 0.002 0.000 1.159 144 A CA 1.372 53.411 52.037 0.002 0.000 0.680 144 A CB -0.027 18.975 19.000 0.002 0.000 0.787 144 A HN 0.628 nan 8.150 nan 0.000 0.467 145 Q N -0.590 119.212 119.800 0.003 0.000 2.141 145 Q HA 0.081 4.421 4.340 0.000 0.000 0.248 145 Q C -0.787 175.214 176.000 0.003 0.000 0.834 145 Q CA -0.263 55.542 55.803 0.003 0.000 1.096 145 Q CB 0.568 29.309 28.738 0.005 0.000 1.189 145 Q HN 0.408 nan 8.270 nan 0.000 0.471 146 D N 1.131 121.532 120.400 0.002 0.000 2.455 146 D HA 0.006 4.646 4.640 0.000 0.000 0.234 146 D C 0.621 176.922 176.300 0.002 0.000 1.224 146 D CA 0.290 54.291 54.000 0.002 0.000 0.999 146 D CB 0.579 41.380 40.800 0.002 0.000 1.072 146 D HN 0.159 nan 8.370 nan 0.000 0.514 147 K N 2.002 122.402 120.400 0.001 0.000 2.103 147 K HA -0.197 4.123 4.320 0.000 0.000 0.207 147 K C 1.633 178.234 176.600 0.000 0.000 1.048 147 K CA 1.199 57.487 56.287 0.001 0.000 0.930 147 K CB 0.205 32.706 32.500 0.001 0.000 0.716 147 K HN 0.542 nan 8.250 nan 0.000 0.444 148 E N 0.844 121.045 120.200 0.001 0.000 2.150 148 E HA -0.131 4.219 4.350 0.000 0.000 0.193 148 E C 1.905 178.506 176.600 0.001 0.000 0.985 148 E CA 0.968 57.368 56.400 0.000 0.000 0.814 148 E CB -0.323 29.378 29.700 0.000 0.000 0.752 148 E HN 0.283 nan 8.360 nan 0.000 0.466 149 I N 0.847 121.418 120.570 0.002 0.000 2.400 149 I HA -0.153 4.017 4.170 0.000 0.000 0.248 149 I C 2.346 178.464 176.117 0.003 0.000 1.109 149 I CA 0.613 61.915 61.300 0.003 0.000 1.425 149 I CB -0.166 37.835 38.000 0.003 0.000 1.094 149 I HN 0.083 nan 8.210 nan 0.000 0.425 150 L N 0.365 121.589 121.223 0.002 0.000 2.079 150 L HA -0.209 4.131 4.340 0.000 0.000 0.210 150 L C 2.574 179.445 176.870 0.002 0.000 1.081 150 L CA 1.501 56.342 54.840 0.001 0.000 0.752 150 L CB -0.860 41.199 42.059 0.000 0.000 0.896 150 L HN 0.274 nan 8.230 nan 0.000 0.433 151 T N -0.819 113.736 114.554 0.001 0.000 2.821 151 T HA -0.152 4.198 4.350 0.000 0.000 0.267 151 T C 1.899 176.600 174.700 0.002 0.000 1.046 151 T CA 1.038 63.138 62.100 0.000 0.000 1.139 151 T CB -0.026 68.842 68.868 -0.001 0.000 0.871 151 T HN 0.282 nan 8.240 nan 0.000 0.454 152 K N 0.524 120.926 120.400 0.003 0.000 2.148 152 K HA 0.077 4.397 4.320 0.000 0.000 0.204 152 K C 2.098 178.704 176.600 0.009 0.000 1.050 152 K CA 0.964 57.255 56.287 0.006 0.000 0.942 152 K CB -0.218 32.286 32.500 0.007 0.000 0.724 152 K HN 0.315 nan 8.250 nan 0.000 0.446 153 I N 0.685 121.259 120.570 0.008 0.000 2.353 153 I HA -0.220 3.950 4.170 0.000 0.000 0.248 153 I C 2.361 178.483 176.117 0.009 0.000 1.119 153 I CA 0.826 62.131 61.300 0.009 0.000 1.417 153 I CB -0.160 37.843 38.000 0.006 0.000 1.078 153 I HN 0.120 nan 8.210 nan 0.000 0.421 154 A N 0.047 122.871 122.820 0.006 0.000 1.930 154 A HA -0.219 4.101 4.320 0.000 0.000 0.217 154 A C 2.264 179.853 177.584 0.008 0.000 1.175 154 A CA 1.580 53.621 52.037 0.006 0.000 0.627 154 A CB -0.503 18.498 19.000 0.002 0.000 0.815 154 A HN 0.384 nan 8.150 nan 0.000 0.443 155 M N -0.636 118.969 119.600 0.008 0.000 2.254 155 M HA -0.055 4.426 4.480 0.000 0.000 0.265 155 M C 1.829 178.142 176.300 0.020 0.000 1.066 155 M CA 1.912 57.218 55.300 0.010 0.000 1.123 155 M CB -0.224 32.378 32.600 0.004 0.000 1.388 155 M HN 0.311 nan 8.290 nan 0.000 0.425 156 T N -1.017 113.551 114.554 0.024 0.000 2.995 156 T HA -0.053 4.297 4.350 0.000 0.000 0.269 156 T C 1.890 176.609 174.700 0.032 0.000 1.091 156 T CA 1.417 63.538 62.100 0.034 0.000 1.128 156 T CB -0.198 68.688 68.868 0.031 0.000 0.891 156 T HN 0.451 nan 8.240 nan 0.000 0.492 157 S N 0.609 116.323 115.700 0.022 0.000 2.377 157 S HA 0.075 4.546 4.470 0.000 0.000 0.223 157 S C 1.991 176.603 174.600 0.021 0.000 1.030 157 S CA 0.386 58.597 58.200 0.019 0.000 0.970 157 S CB -0.302 62.906 63.200 0.012 0.000 0.830 157 S HN 0.460 nan 8.310 nan 0.000 0.473 158 I N 1.419 122.001 120.570 0.021 0.000 2.252 158 I HA -0.083 4.087 4.170 0.000 0.000 0.245 158 I C 0.856 176.993 176.117 0.034 0.000 1.102 158 I CA 0.596 61.909 61.300 0.022 0.000 1.385 158 I CB -0.904 37.106 38.000 0.016 0.000 1.064 158 I HN 0.219 nan 8.210 nan 0.000 0.414 159 T N 0.905 115.487 114.554 0.046 0.000 2.926 159 T HA 0.328 4.678 4.350 0.000 0.000 0.307 159 T C 1.070 175.811 174.700 0.067 0.000 1.059 159 T CA 0.659 62.805 62.100 0.078 0.000 1.122 159 T CB 1.231 70.168 68.868 0.115 0.000 0.972 159 T HN 0.648 nan 8.240 nan 0.000 0.545 160 G N 2.082 110.924 108.800 0.070 0.000 2.313 160 G HA2 -0.225 3.735 3.960 0.000 0.000 0.215 160 G HA3 -0.225 3.735 3.960 0.000 0.000 0.215 160 G C 0.881 175.798 174.900 0.028 0.000 1.023 160 G CA 0.083 45.206 45.100 0.038 0.000 0.626 160 G HN 0.618 nan 8.290 nan 0.000 0.503 161 K N 1.072 121.492 120.400 0.032 0.000 2.426 161 K HA 0.458 4.778 4.320 0.000 0.000 0.193 161 K C 0.916 177.537 176.600 0.036 0.000 1.028 161 K CA 0.719 57.022 56.287 0.027 0.000 1.047 161 K CB 0.559 33.073 32.500 0.023 0.000 0.821 161 K HN 1.357 nan 8.250 nan 0.000 0.513 162 G N -0.157 108.675 108.800 0.054 0.000 2.435 162 G HA2 0.074 4.034 3.960 0.000 0.000 0.603 162 G HA3 0.074 4.034 3.960 0.000 0.000 0.603 162 G C 0.155 175.107 174.900 0.087 0.000 1.496 162 G CA -0.485 44.657 45.100 0.071 0.000 0.896 162 G HN -0.021 nan 8.290 nan 0.000 0.657 163 A N 0.797 123.697 122.820 0.133 0.000 2.019 163 A HA 0.050 4.370 4.320 0.000 0.000 0.219 163 A C 2.135 179.732 177.584 0.023 0.000 1.164 163 A CA 2.205 54.297 52.037 0.092 0.000 0.644 163 A CB -0.253 18.810 19.000 0.104 0.000 0.805 163 A HN 1.195 nan 8.150 nan 0.000 0.449 164 E N 0.649 120.868 120.200 0.032 0.000 2.274 164 E HA -0.154 4.196 4.350 0.000 0.000 0.194 164 E C 1.446 178.052 176.600 0.010 0.000 0.996 164 E CA 1.279 57.687 56.400 0.013 0.000 0.840 164 E CB -0.304 29.408 29.700 0.019 0.000 0.772 164 E HN 0.619 nan 8.360 nan 0.000 0.491 165 K N 0.786 121.197 120.400 0.018 0.000 2.228 165 K HA 0.147 4.467 4.320 0.000 0.000 0.202 165 K C 1.098 177.703 176.600 0.008 0.000 1.051 165 K CA 0.737 57.033 56.287 0.014 0.000 0.960 165 K CB 0.148 32.660 32.500 0.020 0.000 0.743 165 K HN 0.107 nan 8.250 nan 0.000 0.458 166 A N 2.554 125.378 122.820 0.007 0.000 3.026 166 A HA 0.035 4.355 4.320 0.000 0.000 0.272 166 A C -0.300 177.275 177.584 -0.014 0.000 1.782 166 A CA 0.095 52.132 52.037 -0.000 0.000 1.451 166 A CB -0.566 18.435 19.000 0.002 0.000 1.081 166 A HN 0.086 nan 8.150 nan 0.000 0.611 167 K N 0.713 121.108 120.400 -0.009 0.000 2.205 167 K HA 0.169 4.490 4.320 0.000 0.000 0.279 167 K C 0.901 177.494 176.600 -0.012 0.000 1.027 167 K CA -0.551 55.728 56.287 -0.013 0.000 0.932 167 K CB 0.602 33.097 32.500 -0.009 0.000 1.032 167 K HN 0.580 nan 8.250 nan 0.000 0.466 168 E N 2.640 122.830 120.200 -0.016 0.000 2.070 168 E HA -0.247 4.103 4.350 0.000 0.000 0.197 168 E C 0.876 177.472 176.600 -0.008 0.000 1.004 168 E CA 1.821 58.213 56.400 -0.014 0.000 0.805 168 E CB 0.188 29.878 29.700 -0.016 0.000 0.744 168 E HN 0.520 nan 8.360 nan 0.000 0.451 169 K N 0.231 120.627 120.400 -0.007 0.000 2.362 169 K HA -0.122 4.198 4.320 0.000 0.000 0.200 169 K C 2.073 178.672 176.600 -0.002 0.000 1.046 169 K CA 0.283 56.568 56.287 -0.004 0.000 0.952 169 K CB -0.015 32.484 32.500 -0.002 0.000 0.753 169 K HN 0.038 nan 8.250 nan 0.000 0.466 170 L N 0.398 121.620 121.223 -0.002 0.000 2.162 170 L HA 0.047 4.387 4.340 0.000 0.000 0.205 170 L C 2.122 178.991 176.870 -0.001 0.000 1.086 170 L CA 1.251 56.091 54.840 -0.000 0.000 0.778 170 L CB -0.336 41.723 42.059 0.000 0.000 0.928 170 L HN 0.032 nan 8.230 nan 0.000 0.446 171 A N -0.594 122.225 122.820 -0.002 0.000 1.930 171 A HA -0.193 4.127 4.320 0.000 0.000 0.217 171 A C 2.128 179.711 177.584 -0.002 0.000 1.175 171 A CA 1.717 53.753 52.037 -0.002 0.000 0.627 171 A CB -0.566 18.433 19.000 -0.002 0.000 0.815 171 A HN 0.593 nan 8.150 nan 0.000 0.443 172 E N -0.352 119.846 120.200 -0.003 0.000 2.110 172 E HA -0.130 4.220 4.350 0.000 0.000 0.193 172 E C 1.800 178.398 176.600 -0.002 0.000 0.988 172 E CA 1.101 57.499 56.400 -0.002 0.000 0.804 172 E CB -0.263 29.436 29.700 -0.002 0.000 0.745 172 E HN 0.695 nan 8.360 nan 0.000 0.458 173 I N 0.801 121.370 120.570 -0.002 0.000 2.315 173 I HA -0.257 3.913 4.170 0.000 0.000 0.248 173 I C 2.222 178.336 176.117 -0.005 0.000 1.117 173 I CA 1.010 62.309 61.300 -0.002 0.000 1.404 173 I CB -0.075 37.924 38.000 -0.000 0.000 1.071 173 I HN 0.108 nan 8.210 nan 0.000 0.419 174 I N -0.371 120.196 120.570 -0.005 0.000 2.286 174 I HA -0.214 3.956 4.170 0.000 0.000 0.245 174 I C 2.437 178.550 176.117 -0.008 0.000 1.104 174 I CA 0.931 62.227 61.300 -0.006 0.000 1.397 174 I CB -0.250 37.747 38.000 -0.004 0.000 1.072 174 I HN -0.024 nan 8.210 nan 0.000 0.417 175 V N 0.703 120.613 119.914 -0.006 0.000 2.407 175 V HA -0.299 3.821 4.120 0.000 0.000 0.248 175 V C 2.414 178.503 176.094 -0.009 0.000 1.055 175 V CA 2.037 64.334 62.300 -0.006 0.000 1.049 175 V CB -0.635 31.186 31.823 -0.004 0.000 0.662 175 V HN 0.477 nan 8.190 nan 0.000 0.455 176 E N -0.162 120.033 120.200 -0.009 0.000 2.208 176 E HA -0.122 4.229 4.350 0.000 0.000 0.193 176 E C 2.189 178.778 176.600 -0.018 0.000 0.988 176 E CA 0.982 57.376 56.400 -0.011 0.000 0.828 176 E CB -0.093 29.602 29.700 -0.008 0.000 0.763 176 E HN 0.600 nan 8.360 nan 0.000 0.478 177 A N 0.136 122.945 122.820 -0.018 0.000 1.898 177 A HA -0.047 4.273 4.320 0.000 0.000 0.214 177 A C 2.267 179.834 177.584 -0.028 0.000 1.183 177 A CA 0.795 52.817 52.037 -0.025 0.000 0.622 177 A CB -0.260 18.727 19.000 -0.022 0.000 0.824 177 A HN 0.185 nan 8.150 nan 0.000 0.444 178 V N -0.139 119.763 119.914 -0.021 0.000 2.548 178 V HA -0.161 3.959 4.120 0.000 0.000 0.249 178 V C 2.640 178.721 176.094 -0.022 0.000 1.055 178 V CA 2.103 64.391 62.300 -0.020 0.000 1.065 178 V CB -0.671 31.143 31.823 -0.014 0.000 0.681 178 V HN 0.507 nan 8.190 nan 0.000 0.462 179 S N 0.247 115.935 115.700 -0.020 0.000 2.399 179 S HA -0.111 4.359 4.470 0.000 0.000 0.231 179 S C 2.152 176.733 174.600 -0.033 0.000 1.022 179 S CA 1.334 59.522 58.200 -0.020 0.000 0.983 179 S CB -0.291 62.900 63.200 -0.014 0.000 0.803 179 S HN 0.658 nan 8.310 nan 0.000 0.480 180 A N 0.941 123.733 122.820 -0.046 0.000 1.970 180 A HA 0.045 4.365 4.320 0.000 0.000 0.216 180 A C 2.044 179.574 177.584 -0.090 0.000 1.170 180 A CA 1.224 53.213 52.037 -0.080 0.000 0.645 180 A CB -0.479 18.472 19.000 -0.082 0.000 0.816 180 A HN 0.549 nan 8.150 nan 0.000 0.447 181 V N -1.945 117.932 119.914 -0.062 0.000 3.577 181 V HA 0.244 4.365 4.120 0.000 0.000 0.294 181 V C 0.336 176.407 176.094 -0.038 0.000 1.317 181 V CA -0.305 61.962 62.300 -0.055 0.000 1.169 181 V CB -0.884 30.913 31.823 -0.044 0.000 1.011 181 V HN 0.069 nan 8.190 nan 0.000 0.426 182 V N 4.221 124.115 119.914 -0.033 0.000 2.446 182 V HA 0.154 4.274 4.120 0.000 0.000 0.276 182 V C 0.310 176.398 176.094 -0.010 0.000 1.030 182 V CA -0.130 62.160 62.300 -0.018 0.000 1.033 182 V CB 0.358 32.175 31.823 -0.011 0.000 0.993 182 V HN 0.762 nan 8.190 nan 0.000 0.477 183 D N 4.129 124.526 120.400 -0.006 0.000 2.365 183 D HA 0.083 4.723 4.640 0.000 0.000 0.237 183 D C -0.396 175.909 176.300 0.008 0.000 1.190 183 D CA -0.589 53.412 54.000 0.003 0.000 0.867 183 D CB 0.916 41.716 40.800 0.000 0.000 1.050 183 D HN 0.392 nan 8.370 nan 0.000 0.491 184 D N 2.869 123.280 120.400 0.017 0.000 2.371 184 D HA 0.107 4.747 4.640 0.000 0.000 0.256 184 D C 0.232 176.540 176.300 0.014 0.000 1.193 184 D CA 0.321 54.332 54.000 0.018 0.000 0.881 184 D CB 1.083 41.900 40.800 0.028 0.000 1.143 184 D HN 0.467 nan 8.370 nan 0.000 0.473 185 E N 0.383 120.589 120.200 0.010 0.000 2.195 185 E HA 0.620 4.970 4.350 0.000 0.000 0.271 185 E C 0.304 176.907 176.600 0.005 0.000 0.923 185 E CA -1.009 55.396 56.400 0.008 0.000 0.790 185 E CB 2.166 31.870 29.700 0.007 0.000 1.155 185 E HN 0.521 nan 8.360 nan 0.000 0.402 186 G N 2.591 111.393 108.800 0.004 0.000 5.648 186 G HA2 0.020 3.980 3.960 0.000 0.000 0.192 186 G HA3 0.020 3.980 3.960 0.000 0.000 0.192 186 G C -0.128 174.773 174.900 0.001 0.000 0.694 186 G CA -0.416 44.687 45.100 0.004 0.000 0.654 186 G HN 0.076 nan 8.290 nan 0.000 0.324 187 K N 0.207 120.606 120.400 -0.000 0.000 2.090 187 K HA 0.680 5.000 4.320 0.000 0.000 0.249 187 K C -0.437 176.160 176.600 -0.005 0.000 0.995 187 K CA -0.659 55.626 56.287 -0.002 0.000 0.914 187 K CB 2.502 35.001 32.500 -0.002 0.000 1.057 187 K HN -0.030 nan 8.250 nan 0.000 0.462 188 V N 1.641 121.552 119.914 -0.006 0.000 2.378 188 V HA 0.068 4.189 4.120 0.000 0.000 0.288 188 V C -0.542 175.546 176.094 -0.010 0.000 1.016 188 V CA -0.872 61.422 62.300 -0.010 0.000 0.840 188 V CB 1.464 33.281 31.823 -0.010 0.000 0.994 188 V HN 0.608 nan 8.190 nan 0.000 0.431 189 D N 3.655 124.047 120.400 -0.013 0.000 2.347 189 D HA 0.287 4.928 4.640 0.000 0.000 0.235 189 D C 0.911 177.202 176.300 -0.016 0.000 1.149 189 D CA -0.339 53.653 54.000 -0.014 0.000 0.850 189 D CB 1.627 42.418 40.800 -0.015 0.000 1.061 189 D HN 0.347 nan 8.370 nan 0.000 0.487 190 K N 1.634 122.026 120.400 -0.014 0.000 2.280 190 K HA -0.056 4.264 4.320 0.000 0.000 0.202 190 K C 0.812 177.401 176.600 -0.018 0.000 1.047 190 K CA 0.868 57.146 56.287 -0.015 0.000 0.942 190 K CB 0.225 32.718 32.500 -0.011 0.000 0.739 190 K HN 0.388 nan 8.250 nan 0.000 0.457 191 D N -0.040 120.349 120.400 -0.019 0.000 2.363 191 D HA -0.014 4.626 4.640 0.000 0.000 0.220 191 D C 1.287 177.571 176.300 -0.028 0.000 0.994 191 D CA 0.551 54.538 54.000 -0.022 0.000 0.890 191 D CB 0.166 40.954 40.800 -0.019 0.000 0.906 191 D HN 0.160 nan 8.370 nan 0.000 0.530 192 L N 0.072 121.278 121.223 -0.028 0.000 2.341 192 L HA 0.131 4.472 4.340 0.000 0.000 0.214 192 L C 0.770 177.616 176.870 -0.039 0.000 1.115 192 L CA 0.316 55.135 54.840 -0.035 0.000 0.820 192 L CB 0.285 42.324 42.059 -0.033 0.000 0.944 192 L HN -0.122 nan 8.230 nan 0.000 0.452 193 I N 1.125 121.674 120.570 -0.035 0.000 2.282 193 I HA 0.055 4.225 4.170 0.000 0.000 0.290 193 I C 0.437 176.531 176.117 -0.037 0.000 1.090 193 I CA -0.069 61.210 61.300 -0.036 0.000 1.231 193 I CB 0.518 38.500 38.000 -0.029 0.000 1.434 193 I HN -0.002 nan 8.210 nan 0.000 0.487 194 K N 7.221 127.593 120.400 -0.046 0.000 2.383 194 K HA 0.370 4.690 4.320 0.000 0.000 0.286 194 K C -0.607 175.964 176.600 -0.049 0.000 1.051 194 K CA -0.231 56.025 56.287 -0.051 0.000 0.974 194 K CB 0.604 33.065 32.500 -0.066 0.000 0.968 194 K HN 0.537 nan 8.250 nan 0.000 0.475 195 I N 4.065 124.610 120.570 -0.041 0.000 2.312 195 I HA 0.136 4.306 4.170 0.000 0.000 0.290 195 I C -0.329 175.763 176.117 -0.041 0.000 1.008 195 I CA -0.559 60.719 61.300 -0.037 0.000 1.226 195 I CB 1.539 39.523 38.000 -0.026 0.000 1.371 195 I HN 0.622 nan 8.210 nan 0.000 0.468 196 E N 6.525 126.697 120.200 -0.046 0.000 2.183 196 E HA 0.412 4.762 4.350 0.000 0.000 0.271 196 E C -1.201 175.378 176.600 -0.035 0.000 0.919 196 E CA -0.695 55.675 56.400 -0.051 0.000 0.781 196 E CB 1.288 30.941 29.700 -0.078 0.000 1.140 196 E HN 0.281 nan 8.360 nan 0.000 0.402 197 K N 3.959 124.341 120.400 -0.030 0.000 2.464 197 K HA 0.412 4.732 4.320 0.000 0.000 0.252 197 K C -0.736 175.855 176.600 -0.016 0.000 1.000 197 K CA -0.899 55.375 56.287 -0.021 0.000 0.951 197 K CB 1.113 33.599 32.500 -0.025 0.000 1.183 197 K HN 0.196 nan 8.250 nan 0.000 0.445 198 K N 1.053 121.451 120.400 -0.003 0.000 2.385 198 K HA 0.310 4.631 4.320 0.000 0.000 0.248 198 K C 0.556 177.163 176.600 0.011 0.000 0.955 198 K CA -0.511 55.781 56.287 0.008 0.000 0.816 198 K CB 1.958 34.476 32.500 0.029 0.000 1.250 198 K HN 0.647 nan 8.250 nan 0.000 0.434 199 S N 0.101 115.807 115.700 0.011 0.000 2.136 199 S HA 0.547 5.017 4.470 0.000 0.000 0.205 199 S C 0.712 175.322 174.600 0.017 0.000 1.346 199 S CA 0.496 58.702 58.200 0.010 0.000 1.084 199 S CB -0.403 62.801 63.200 0.007 0.000 0.767 199 S HN 1.038 nan 8.310 nan 0.000 0.423 200 G N -0.788 108.022 108.800 0.016 0.000 2.603 200 G HA2 0.438 4.398 3.960 0.000 0.000 0.686 200 G HA3 0.438 4.398 3.960 0.000 0.000 0.686 200 G C -0.317 174.591 174.900 0.014 0.000 1.286 200 G CA -0.319 44.791 45.100 0.017 0.000 0.871 200 G HN 1.729 nan 8.290 nan 0.000 0.568 201 A N 0.377 123.204 122.820 0.012 0.000 2.774 201 A HA 0.842 5.163 4.320 0.000 0.000 0.326 201 A C 0.760 178.350 177.584 0.011 0.000 1.478 201 A CA 1.208 53.251 52.037 0.010 0.000 1.099 201 A CB 0.429 19.434 19.000 0.008 0.000 1.148 201 A HN 2.096 nan 8.150 nan 0.000 0.519 202 S N 1.443 117.150 115.700 0.012 0.000 4.107 202 S HA 0.532 5.002 4.470 0.000 0.000 0.196 202 S C 1.154 175.761 174.600 0.011 0.000 1.125 202 S CA 0.561 58.768 58.200 0.012 0.000 1.614 202 S CB -0.352 62.857 63.200 0.015 0.000 1.234 202 S HN 1.027 nan 8.310 nan 0.000 0.799 203 I N 1.080 121.657 120.570 0.012 0.000 3.969 203 I HA -0.342 3.828 4.170 0.000 0.000 0.133 203 I C 0.081 176.203 176.117 0.009 0.000 0.412 203 I CA 1.908 63.214 61.300 0.010 0.000 1.227 203 I CB -0.753 37.253 38.000 0.010 0.000 1.082 203 I HN 0.494 nan 8.210 nan 0.000 0.204 204 D N 0.113 120.518 120.400 0.008 0.000 2.389 204 D HA 0.044 4.685 4.640 0.000 0.000 0.206 204 D C 0.898 177.204 176.300 0.009 0.000 1.055 204 D CA 0.501 54.505 54.000 0.007 0.000 0.856 204 D CB 0.023 40.826 40.800 0.005 0.000 0.957 204 D HN 0.397 nan 8.370 nan 0.000 0.509 205 D N 0.328 120.735 120.400 0.012 0.000 2.342 205 D HA 0.003 4.643 4.640 0.000 0.000 0.221 205 D C 0.216 176.529 176.300 0.022 0.000 1.101 205 D CA 0.207 54.217 54.000 0.017 0.000 0.837 205 D CB 0.037 40.848 40.800 0.018 0.000 0.938 205 D HN 0.084 nan 8.370 nan 0.000 0.508 206 T N -0.322 114.243 114.554 0.017 0.000 2.799 206 T HA 0.339 4.690 4.350 0.000 0.000 0.296 206 T C 0.214 174.925 174.700 0.018 0.000 0.947 206 T CA -0.659 61.452 62.100 0.017 0.000 1.141 206 T CB 0.964 69.838 68.868 0.010 0.000 0.891 206 T HN 0.175 nan 8.240 nan 0.000 0.533 207 E N 2.491 122.706 120.200 0.024 0.000 2.299 207 E HA 0.593 4.943 4.350 0.000 0.000 0.265 207 E C -1.145 175.466 176.600 0.018 0.000 0.911 207 E CA -1.428 54.987 56.400 0.025 0.000 0.789 207 E CB 1.440 31.165 29.700 0.041 0.000 1.246 207 E HN 0.467 nan 8.360 nan 0.000 0.427 208 L N 2.446 123.677 121.223 0.014 0.000 2.281 208 L HA 0.405 4.745 4.340 0.000 0.000 0.285 208 L C -1.129 175.748 176.870 0.012 0.000 1.074 208 L CA -0.197 54.646 54.840 0.005 0.000 0.817 208 L CB 0.452 42.511 42.059 0.000 0.000 1.168 208 L HN 0.592 nan 8.230 nan 0.000 0.434 209 I N 5.640 126.213 120.570 0.005 0.000 2.312 209 I HA 0.239 4.409 4.170 0.000 0.000 0.290 209 I C 0.317 176.430 176.117 -0.006 0.000 1.008 209 I CA -0.448 60.859 61.300 0.012 0.000 1.226 209 I CB 0.813 38.813 38.000 0.001 0.000 1.371 209 I HN 0.542 nan 8.210 nan 0.000 0.468 210 K N 5.958 126.360 120.400 0.003 0.000 2.278 210 K HA 0.413 4.733 4.320 0.000 0.000 0.237 210 K C 0.324 176.919 176.600 -0.009 0.000 1.229 210 K CA -0.259 56.022 56.287 -0.009 0.000 1.155 210 K CB 0.258 32.756 32.500 -0.003 0.000 1.590 210 K HN 0.908 nan 8.250 nan 0.000 0.290 211 G N -0.522 108.262 108.800 -0.026 0.000 2.393 211 G HA2 0.275 4.235 3.960 0.000 0.000 0.264 211 G HA3 0.275 4.235 3.960 0.000 0.000 0.264 211 G C -1.600 173.256 174.900 -0.073 0.000 1.221 211 G CA -0.597 44.481 45.100 -0.036 0.000 0.912 211 G HN 0.086 nan 8.290 nan 0.000 0.483 212 V N 0.026 119.881 119.914 -0.099 0.000 2.962 212 V HA 0.719 4.840 4.120 0.000 0.000 0.313 212 V C -1.144 174.839 176.094 -0.186 0.000 1.099 212 V CA -0.678 61.536 62.300 -0.144 0.000 0.971 212 V CB 1.987 33.706 31.823 -0.173 0.000 1.028 212 V HN 0.724 nan 8.190 nan 0.000 0.430 213 L N 3.638 124.727 121.223 -0.223 0.000 2.294 213 L HA 0.622 4.962 4.340 0.000 0.000 0.283 213 L C -0.557 176.192 176.870 -0.202 0.000 1.015 213 L CA -0.016 54.640 54.840 -0.307 0.000 0.831 213 L CB 1.567 43.385 42.059 -0.402 0.000 1.217 213 L HN 0.492 nan 8.230 nan 0.000 0.420 214 V N 3.628 123.456 119.914 -0.143 0.000 2.383 214 V HA 0.199 4.319 4.120 0.000 0.000 0.275 214 V C 0.256 176.344 176.094 -0.011 0.000 1.036 214 V CA -0.606 61.651 62.300 -0.070 0.000 0.889 214 V CB 1.370 33.179 31.823 -0.022 0.000 0.985 214 V HN 0.608 nan 8.190 nan 0.000 0.459 215 D N 4.459 124.850 120.400 -0.015 0.000 2.982 215 D HA 0.120 4.760 4.640 0.000 0.000 0.238 215 D C 0.256 176.580 176.300 0.039 0.000 1.168 215 D CA 0.564 54.568 54.000 0.006 0.000 0.947 215 D CB -0.143 40.652 40.800 -0.007 0.000 1.147 215 D HN 0.423 nan 8.370 nan 0.000 0.450 216 K N 0.225 120.668 120.400 0.072 0.000 2.466 216 K HA 0.408 4.728 4.320 0.000 0.000 0.260 216 K C -0.387 176.265 176.600 0.087 0.000 1.011 216 K CA -0.668 55.669 56.287 0.083 0.000 0.871 216 K CB 2.110 34.680 32.500 0.116 0.000 1.404 216 K HN 0.080 nan 8.250 nan 0.000 0.450 217 E N 0.931 121.168 120.200 0.062 0.000 2.334 217 E HA 0.294 4.645 4.350 0.000 0.000 0.256 217 E C -0.616 175.998 176.600 0.022 0.000 0.958 217 E CA -1.073 55.356 56.400 0.049 0.000 0.821 217 E CB 1.280 31.002 29.700 0.036 0.000 1.269 217 E HN 0.405 nan 8.360 nan 0.000 0.413 218 R N 0.823 121.326 120.500 0.005 0.000 2.489 218 R HA 0.044 4.384 4.340 0.000 0.000 0.287 218 R C 0.682 176.970 176.300 -0.020 0.000 1.053 218 R CA -0.126 55.957 56.100 -0.028 0.000 1.036 218 R CB 0.543 30.826 30.300 -0.029 0.000 0.966 218 R HN 0.434 nan 8.270 nan 0.000 0.432 219 V N 2.195 122.090 119.914 -0.031 0.000 2.490 219 V HA -0.128 3.992 4.120 0.000 0.000 0.250 219 V C 0.679 176.765 176.094 -0.013 0.000 1.061 219 V CA 2.217 64.507 62.300 -0.017 0.000 1.064 219 V CB 0.025 31.836 31.823 -0.020 0.000 0.670 219 V HN 0.893 nan 8.190 nan 0.000 0.461 220 S N -1.812 113.877 115.700 -0.018 0.000 2.521 220 S HA 0.668 5.138 4.470 0.000 0.000 0.295 220 S C 0.765 175.357 174.600 -0.013 0.000 1.098 220 S CA -0.171 58.022 58.200 -0.012 0.000 0.999 220 S CB 1.766 64.959 63.200 -0.011 0.000 1.034 220 S HN 0.551 nan 8.310 nan 0.000 0.483 221 A N 3.296 126.113 122.820 -0.006 0.000 2.121 221 A HA -0.035 4.285 4.320 0.000 0.000 0.218 221 A C 1.841 179.420 177.584 -0.008 0.000 1.154 221 A CA 1.238 53.271 52.037 -0.006 0.000 0.679 221 A CB -0.500 18.499 19.000 -0.002 0.000 0.795 221 A HN 0.886 nan 8.150 nan 0.000 0.458 222 Q N -0.979 118.815 119.800 -0.009 0.000 2.435 222 Q HA 0.090 4.431 4.340 0.000 0.000 0.207 222 Q C 0.285 176.272 176.000 -0.022 0.000 0.956 222 Q CA 0.045 55.841 55.803 -0.013 0.000 0.917 222 Q CB -0.094 28.637 28.738 -0.010 0.000 0.997 222 Q HN 0.702 nan 8.270 nan 0.000 0.497 223 M N 1.594 121.178 119.600 -0.026 0.000 2.241 223 M HA 0.230 4.711 4.480 0.000 0.000 0.335 223 M C -2.073 174.212 176.300 -0.025 0.000 1.122 223 M CA -1.931 53.350 55.300 -0.032 0.000 1.164 223 M CB 0.543 33.119 32.600 -0.041 0.000 1.459 223 M HN -0.105 nan 8.290 nan 0.000 0.461 224 P HA 0.023 nan 4.420 nan 0.000 0.270 224 P C -0.477 176.814 177.300 -0.016 0.000 1.227 224 P CA 0.003 63.092 63.100 -0.018 0.000 0.788 224 P CB 0.507 32.197 31.700 -0.017 0.000 0.926 225 K N 0.443 120.838 120.400 -0.009 0.000 2.438 225 K HA 0.173 4.493 4.320 0.000 0.000 0.206 225 K C -0.134 176.466 176.600 0.001 0.000 1.081 225 K CA 0.054 56.339 56.287 -0.004 0.000 1.053 225 K CB 0.457 32.954 32.500 -0.005 0.000 0.908 225 K HN 0.228 nan 8.250 nan 0.000 0.556 226 K N 1.182 121.581 120.400 -0.001 0.000 2.619 226 K HA 0.241 4.561 4.320 0.000 0.000 0.251 226 K C -1.905 174.698 176.600 0.006 0.000 0.987 226 K CA -0.614 55.675 56.287 0.003 0.000 0.844 226 K CB 2.108 34.604 32.500 -0.006 0.000 1.237 226 K HN -0.115 nan 8.250 nan 0.000 0.447 227 V N 2.901 122.825 119.914 0.016 0.000 2.531 227 V HA 0.439 4.559 4.120 0.000 0.000 0.301 227 V C -0.141 175.968 176.094 0.024 0.000 1.034 227 V CA -0.792 61.518 62.300 0.016 0.000 0.865 227 V CB 1.683 33.516 31.823 0.017 0.000 0.995 227 V HN 0.904 nan 8.190 nan 0.000 0.424 228 T N 0.074 114.639 114.554 0.018 0.000 2.867 228 T HA 0.457 4.807 4.350 0.000 0.000 0.282 228 T C -0.134 174.579 174.700 0.022 0.000 1.000 228 T CA -0.537 61.575 62.100 0.021 0.000 1.042 228 T CB 1.197 70.073 68.868 0.014 0.000 0.973 228 T HN 0.712 nan 8.240 nan 0.000 0.465 229 D N 0.401 120.817 120.400 0.026 0.000 2.704 229 D HA -0.147 4.493 4.640 0.000 0.000 0.232 229 D C 0.315 176.632 176.300 0.029 0.000 1.183 229 D CA 0.949 54.965 54.000 0.027 0.000 0.647 229 D CB -1.217 39.595 40.800 0.020 0.000 1.013 229 D HN 1.040 nan 8.370 nan 0.000 0.415 230 A N 0.783 123.625 122.820 0.037 0.000 2.354 230 A HA 0.435 4.755 4.320 0.000 0.000 0.269 230 A C 0.459 178.069 177.584 0.044 0.000 1.109 230 A CA -0.348 51.712 52.037 0.038 0.000 0.800 230 A CB 0.799 19.827 19.000 0.047 0.000 1.045 230 A HN 0.075 nan 8.150 nan 0.000 0.489 231 K N 1.923 122.345 120.400 0.037 0.000 2.263 231 K HA 0.541 4.861 4.320 0.000 0.000 0.272 231 K C -0.953 175.678 176.600 0.051 0.000 1.033 231 K CA 0.317 56.628 56.287 0.040 0.000 0.884 231 K CB 1.107 33.624 32.500 0.029 0.000 1.107 231 K HN 0.551 nan 8.250 nan 0.000 0.460 232 I N 2.404 123.018 120.570 0.073 0.000 2.336 232 I HA 0.422 4.592 4.170 0.000 0.000 0.292 232 I C -0.123 176.054 176.117 0.099 0.000 0.991 232 I CA -0.936 60.431 61.300 0.110 0.000 1.227 232 I CB 1.710 39.811 38.000 0.168 0.000 1.366 232 I HN 0.587 nan 8.210 nan 0.000 0.466 233 A N 7.302 130.180 122.820 0.096 0.000 2.317 233 A HA 0.811 5.131 4.320 0.000 0.000 0.327 233 A C -0.979 176.673 177.584 0.114 0.000 1.178 233 A CA -0.452 51.633 52.037 0.080 0.000 0.817 233 A CB 0.888 19.918 19.000 0.049 0.000 1.189 233 A HN 0.564 nan 8.150 nan 0.000 0.489 234 L N 2.466 123.747 121.223 0.095 0.000 2.305 234 L HA 0.526 4.867 4.340 0.000 0.000 0.284 234 L C -0.557 176.357 176.870 0.073 0.000 1.013 234 L CA 0.224 55.128 54.840 0.106 0.000 0.819 234 L CB 1.437 43.542 42.059 0.077 0.000 1.227 234 L HN 0.635 nan 8.230 nan 0.000 0.417 235 L N 3.182 124.452 121.223 0.078 0.000 2.349 235 L HA 0.448 4.788 4.340 0.000 0.000 0.278 235 L C 0.682 177.582 176.870 0.049 0.000 0.996 235 L CA -0.450 54.422 54.840 0.054 0.000 0.825 235 L CB 1.772 43.859 42.059 0.047 0.000 1.243 235 L HN 0.545 nan 8.230 nan 0.000 0.412 236 N N 0.889 119.611 118.700 0.036 0.000 2.422 236 N HA -0.015 4.725 4.740 0.000 0.000 0.181 236 N C 0.211 175.738 175.510 0.027 0.000 1.080 236 N CA 0.053 53.121 53.050 0.030 0.000 0.893 236 N CB 0.279 38.780 38.487 0.022 0.000 0.973 236 N HN 0.540 nan 8.380 nan 0.000 0.456 237 C N 0.902 120.219 119.300 0.027 0.000 2.534 237 C HA 0.740 5.200 4.460 0.000 0.000 0.385 237 C C 0.439 175.445 174.990 0.027 0.000 1.264 237 C CA -0.833 58.200 59.018 0.025 0.000 2.342 237 C CB -0.485 27.269 27.740 0.023 0.000 2.564 237 C HN 0.462 nan 8.230 nan 0.000 0.603 238 A N 5.453 128.288 122.820 0.025 0.000 2.320 238 A HA 0.529 4.849 4.320 0.000 0.000 0.287 238 A C 0.225 177.826 177.584 0.028 0.000 1.181 238 A CA -0.388 51.664 52.037 0.026 0.000 0.831 238 A CB 0.008 19.023 19.000 0.024 0.000 1.102 238 A HN 0.849 nan 8.150 nan 0.000 0.513 239 I N 2.872 123.461 120.570 0.030 0.000 2.546 239 I HA 0.058 4.228 4.170 0.000 0.000 0.275 239 I C 0.392 176.532 176.117 0.039 0.000 1.032 239 I CA 0.559 61.880 61.300 0.035 0.000 2.040 239 I CB -0.991 37.031 38.000 0.037 0.000 1.464 239 I HN 0.719 nan 8.210 nan 0.000 0.865 240 E N 1.483 121.704 120.200 0.035 0.000 2.449 240 E HA 0.531 4.881 4.350 0.000 0.000 0.254 240 E C -0.440 176.181 176.600 0.036 0.000 0.907 240 E CA -1.137 55.285 56.400 0.037 0.000 0.840 240 E CB 1.855 31.573 29.700 0.030 0.000 1.459 240 E HN 0.040 nan 8.360 nan 0.000 0.407 241 I N 1.508 122.100 120.570 0.036 0.000 2.588 241 I HA 0.065 4.235 4.170 0.000 0.000 0.283 241 I C 0.151 176.285 176.117 0.029 0.000 1.119 241 I CA 0.157 61.478 61.300 0.035 0.000 1.419 241 I CB -0.015 38.008 38.000 0.038 0.000 1.394 241 I HN 0.319 nan 8.210 nan 0.000 0.562 242 K N 6.154 126.571 120.400 0.028 0.000 2.219 242 K HA 0.240 4.560 4.320 0.000 0.000 0.280 242 K C -0.155 176.458 176.600 0.022 0.000 1.104 242 K CA -0.250 56.050 56.287 0.023 0.000 0.925 242 K CB 0.441 32.954 32.500 0.021 0.000 1.261 242 K HN 0.495 nan 8.250 nan 0.000 0.445 243 E N 1.889 122.100 120.200 0.018 0.000 2.338 243 E HA 0.017 4.367 4.350 0.000 0.000 0.272 243 E C 0.091 176.698 176.600 0.013 0.000 1.029 243 E CA -0.307 56.102 56.400 0.014 0.000 0.872 243 E CB 0.800 30.506 29.700 0.010 0.000 1.015 243 E HN 0.461 nan 8.360 nan 0.000 0.417 244 T N 0.661 115.223 114.554 0.012 0.000 2.926 244 T HA 0.036 4.386 4.350 0.000 0.000 0.307 244 T C 1.019 175.724 174.700 0.008 0.000 1.059 244 T CA -0.726 61.381 62.100 0.011 0.000 1.122 244 T CB 1.134 70.009 68.868 0.012 0.000 0.972 244 T HN 0.366 nan 8.240 nan 0.000 0.545 245 E N 1.538 121.743 120.200 0.008 0.000 2.047 245 E HA -0.049 4.301 4.350 0.000 0.000 0.191 245 E C 1.155 177.758 176.600 0.005 0.000 0.987 245 E CA 1.261 57.665 56.400 0.006 0.000 0.799 245 E CB -0.623 29.081 29.700 0.006 0.000 0.752 245 E HN 0.916 nan 8.360 nan 0.000 0.449 246 T N 1.906 116.463 114.554 0.005 0.000 2.799 246 T HA 0.075 4.425 4.350 0.000 0.000 0.296 246 T C 0.078 174.780 174.700 0.003 0.000 0.947 246 T CA -0.634 61.468 62.100 0.004 0.000 1.141 246 T CB 0.542 69.413 68.868 0.005 0.000 0.891 246 T HN -0.178 nan 8.240 nan 0.000 0.533 247 D N 2.680 123.080 120.400 0.001 0.000 2.586 247 D HA 0.328 4.969 4.640 0.000 0.000 0.234 247 D C 0.148 176.446 176.300 -0.003 0.000 1.132 247 D CA 0.566 54.565 54.000 -0.002 0.000 0.860 247 D CB 0.420 41.218 40.800 -0.004 0.000 1.159 247 D HN 0.885 nan 8.370 nan 0.000 0.490 248 A N 2.860 125.676 122.820 -0.006 0.000 2.401 248 A HA 0.610 4.930 4.320 0.000 0.000 0.310 248 A C -0.350 177.221 177.584 -0.022 0.000 1.075 248 A CA -0.648 51.384 52.037 -0.009 0.000 0.746 248 A CB 1.970 20.969 19.000 -0.002 0.000 1.277 248 A HN 0.517 nan 8.150 nan 0.000 0.425 249 E N 1.162 121.344 120.200 -0.031 0.000 2.331 249 E HA 0.574 4.924 4.350 0.000 0.000 0.275 249 E C -1.448 175.103 176.600 -0.080 0.000 0.895 249 E CA -0.492 55.875 56.400 -0.054 0.000 0.753 249 E CB 1.766 31.439 29.700 -0.044 0.000 1.216 249 E HN 0.637 nan 8.360 nan 0.000 0.434 250 I N 2.983 123.465 120.570 -0.145 0.000 2.488 250 I HA 0.420 4.590 4.170 0.000 0.000 0.299 250 I C -0.060 175.936 176.117 -0.201 0.000 0.984 250 I CA -0.779 60.377 61.300 -0.242 0.000 1.250 250 I CB 0.968 38.647 38.000 -0.535 0.000 1.389 250 I HN 0.218 nan 8.210 nan 0.000 0.488 251 R N 5.858 126.267 120.500 -0.152 0.000 2.409 251 R HA 0.536 4.876 4.340 0.000 0.000 0.313 251 R C -1.270 175.005 176.300 -0.043 0.000 0.953 251 R CA -0.872 55.179 56.100 -0.082 0.000 0.849 251 R CB 1.625 31.908 30.300 -0.030 0.000 1.171 251 R HN 0.449 nan 8.270 nan 0.000 0.458 252 I N 1.765 122.312 120.570 -0.040 0.000 2.354 252 I HA 0.217 4.387 4.170 0.000 0.000 0.292 252 I C 1.425 177.562 176.117 0.034 0.000 0.989 252 I CA 0.086 61.407 61.300 0.035 0.000 1.188 252 I CB 1.953 39.974 38.000 0.036 0.000 1.342 252 I HN 0.647 nan 8.210 nan 0.000 0.457 253 T N -0.677 113.908 114.554 0.052 0.000 2.955 253 T HA 0.209 4.559 4.350 0.000 0.000 0.251 253 T C 0.279 175.001 174.700 0.037 0.000 1.002 253 T CA -0.143 61.978 62.100 0.035 0.000 0.970 253 T CB -0.009 68.878 68.868 0.031 0.000 1.091 253 T HN 0.398 nan 8.240 nan 0.000 0.495 254 D N 2.875 123.305 120.400 0.051 0.000 2.256 254 D HA 0.380 5.021 4.640 0.000 0.000 0.240 254 D C -1.414 174.915 176.300 0.048 0.000 1.062 254 D CA -2.568 51.458 54.000 0.042 0.000 0.832 254 D CB 2.195 43.018 40.800 0.039 0.000 1.135 254 D HN -0.099 nan 8.370 nan 0.000 0.484 255 P HA -0.139 nan 4.420 nan 0.000 0.219 255 P C 0.756 178.078 177.300 0.037 0.000 1.146 255 P CA 0.650 63.771 63.100 0.034 0.000 0.808 255 P CB 0.230 31.944 31.700 0.023 0.000 0.779 256 A N -0.034 122.805 122.820 0.031 0.000 2.167 256 A HA -0.028 4.292 4.320 0.000 0.000 0.214 256 A C 2.096 179.698 177.584 0.030 0.000 1.151 256 A CA 0.811 52.862 52.037 0.024 0.000 0.735 256 A CB -0.640 18.367 19.000 0.012 0.000 0.802 256 A HN 0.017 nan 8.150 nan 0.000 0.467 257 K N -0.196 120.238 120.400 0.057 0.000 2.459 257 K HA 0.168 4.488 4.320 0.000 0.000 0.193 257 K C 1.475 178.183 176.600 0.181 0.000 1.030 257 K CA 0.155 56.494 56.287 0.086 0.000 1.026 257 K CB -0.196 32.393 32.500 0.148 0.000 0.809 257 K HN 0.520 nan 8.250 nan 0.000 0.504 258 L N 0.354 121.661 121.223 0.141 0.000 1.976 258 L HA -0.170 4.170 4.340 0.000 0.000 0.209 258 L C 2.362 179.314 176.870 0.137 0.000 1.071 258 L CA 1.155 56.085 54.840 0.149 0.000 0.746 258 L CB -0.407 41.702 42.059 0.082 0.000 0.890 258 L HN 0.129 nan 8.230 nan 0.000 0.432 259 M N -0.713 118.933 119.600 0.076 0.000 2.358 259 M HA -0.176 4.304 4.480 0.000 0.000 0.264 259 M C 2.053 178.373 176.300 0.033 0.000 1.064 259 M CA 1.393 56.724 55.300 0.051 0.000 1.093 259 M CB -1.012 31.604 32.600 0.028 0.000 1.401 259 M HN 0.313 nan 8.290 nan 0.000 0.440 260 E N -0.215 119.985 120.200 0.001 0.000 2.031 260 E HA -0.180 4.170 4.350 0.000 0.000 0.193 260 E C 1.941 178.462 176.600 -0.132 0.000 0.994 260 E CA 1.413 57.741 56.400 -0.121 0.000 0.800 260 E CB -0.178 29.360 29.700 -0.270 0.000 0.752 260 E HN 0.434 nan 8.360 nan 0.000 0.447 261 F N 0.669 120.624 119.950 0.008 0.000 2.163 261 F HA -0.100 4.427 4.527 0.000 0.000 0.297 261 F C 2.295 178.102 175.800 0.012 0.000 1.094 261 F CA 0.684 58.689 58.000 0.009 0.000 1.290 261 F CB -0.185 38.820 39.000 0.007 0.000 1.017 261 F HN -0.024 nan 8.300 nan 0.000 0.483 262 I N 0.001 120.693 120.570 0.203 0.000 2.179 262 I HA -0.280 3.891 4.170 0.000 0.000 0.242 262 I C 2.109 178.276 176.117 0.084 0.000 1.088 262 I CA 1.597 62.969 61.300 0.119 0.000 1.357 262 I CB -0.546 37.507 38.000 0.088 0.000 1.051 262 I HN 0.158 nan 8.210 nan 0.000 0.409 263 E N 0.133 120.368 120.200 0.057 0.000 2.204 263 E HA -0.264 4.086 4.350 0.000 0.000 0.194 263 E C 2.076 178.691 176.600 0.024 0.000 0.989 263 E CA 0.803 57.225 56.400 0.036 0.000 0.824 263 E CB 0.008 29.717 29.700 0.015 0.000 0.756 263 E HN 0.384 nan 8.360 nan 0.000 0.477 264 Q N 1.166 120.976 119.800 0.016 0.000 2.137 264 Q HA -0.133 4.207 4.340 0.000 0.000 0.198 264 Q C 1.726 177.750 176.000 0.040 0.000 0.960 264 Q CA 1.392 57.198 55.803 0.005 0.000 0.847 264 Q CB 0.106 28.823 28.738 -0.035 0.000 0.915 264 Q HN 0.196 nan 8.270 nan 0.000 0.448 265 E N 0.037 120.282 120.200 0.075 0.000 2.072 265 E HA -0.198 4.152 4.350 0.000 0.000 0.191 265 E C 1.496 178.138 176.600 0.071 0.000 0.985 265 E CA 1.258 57.705 56.400 0.079 0.000 0.801 265 E CB 0.024 29.781 29.700 0.095 0.000 0.750 265 E HN 0.682 nan 8.360 nan 0.000 0.452 266 E N 0.353 120.601 120.200 0.079 0.000 2.482 266 E HA -0.141 4.209 4.350 0.000 0.000 0.196 266 E C 1.826 178.467 176.600 0.068 0.000 1.047 266 E CA 0.467 56.933 56.400 0.110 0.000 0.869 266 E CB 0.019 29.805 29.700 0.143 0.000 0.836 266 E HN 0.014 nan 8.360 nan 0.000 0.520 267 K N 0.688 121.102 120.400 0.024 0.000 2.365 267 K HA 0.051 4.371 4.320 0.000 0.000 0.197 267 K C 1.834 178.414 176.600 -0.032 0.000 1.042 267 K CA 0.412 56.684 56.287 -0.026 0.000 0.987 267 K CB 0.092 32.579 32.500 -0.022 0.000 0.779 267 K HN 0.177 nan 8.250 nan 0.000 0.484 268 M N 0.232 119.833 119.600 0.001 0.000 2.447 268 M HA -0.059 4.422 4.480 0.000 0.000 0.264 268 M C 1.360 177.663 176.300 0.005 0.000 1.095 268 M CA 0.575 55.877 55.300 0.003 0.000 1.125 268 M CB 0.151 32.764 32.600 0.023 0.000 1.389 268 M HN 0.073 nan 8.290 nan 0.000 0.459 269 L N 0.332 121.570 121.223 0.024 0.000 2.209 269 L HA -0.020 4.320 4.340 0.000 0.000 0.207 269 L C 2.143 178.990 176.870 -0.038 0.000 1.094 269 L CA 1.656 56.529 54.840 0.054 0.000 0.790 269 L CB -0.631 41.523 42.059 0.158 0.000 0.932 269 L HN 0.152 nan 8.230 nan 0.000 0.447 270 K N -0.445 119.832 120.400 -0.205 0.000 2.097 270 K HA -0.149 4.171 4.320 0.000 0.000 0.205 270 K C 1.584 178.054 176.600 -0.216 0.000 1.050 270 K CA 1.289 57.308 56.287 -0.446 0.000 0.938 270 K CB -0.078 32.111 32.500 -0.519 0.000 0.718 270 K HN 0.262 nan 8.250 nan 0.000 0.442 271 D N 0.730 121.057 120.400 -0.122 0.000 2.117 271 D HA -0.126 4.514 4.640 0.000 0.000 0.198 271 D C 1.879 178.150 176.300 -0.049 0.000 0.982 271 D CA 1.262 55.218 54.000 -0.074 0.000 0.828 271 D CB -0.055 40.718 40.800 -0.046 0.000 0.967 271 D HN 0.179 nan 8.370 nan 0.000 0.464 272 M N 0.132 119.713 119.600 -0.031 0.000 2.117 272 M HA -0.123 4.357 4.480 0.000 0.000 0.262 272 M C 2.305 178.600 176.300 -0.007 0.000 1.065 272 M CA 0.877 56.172 55.300 -0.008 0.000 1.114 272 M CB -0.097 32.510 32.600 0.012 0.000 1.361 272 M HN -0.119 nan 8.290 nan 0.000 0.408 273 V N 0.287 120.195 119.914 -0.010 0.000 2.515 273 V HA -0.205 3.915 4.120 0.000 0.000 0.250 273 V C 2.520 178.601 176.094 -0.021 0.000 1.058 273 V CA 1.857 64.157 62.300 0.000 0.000 1.064 273 V CB -1.147 30.698 31.823 0.037 0.000 0.675 273 V HN 0.515 nan 8.190 nan 0.000 0.461 274 A N -0.595 122.197 122.820 -0.048 0.000 2.066 274 A HA -0.138 4.182 4.320 0.000 0.000 0.218 274 A C 2.124 179.692 177.584 -0.027 0.000 1.157 274 A CA 1.253 53.264 52.037 -0.044 0.000 0.670 274 A CB -0.313 18.649 19.000 -0.063 0.000 0.804 274 A HN 0.613 nan 8.150 nan 0.000 0.453 275 E N -0.512 119.676 120.200 -0.021 0.000 2.230 275 E HA 0.016 4.366 4.350 0.000 0.000 0.192 275 E C 1.556 178.153 176.600 -0.005 0.000 0.987 275 E CA 0.587 56.980 56.400 -0.012 0.000 0.841 275 E CB -0.082 29.613 29.700 -0.008 0.000 0.783 275 E HN 0.700 nan 8.360 nan 0.000 0.481 276 I N 0.939 121.507 120.570 -0.003 0.000 2.406 276 I HA -0.169 4.001 4.170 0.000 0.000 0.249 276 I C 2.430 178.547 176.117 -0.001 0.000 1.122 276 I CA 0.751 62.052 61.300 0.002 0.000 1.431 276 I CB -0.020 37.982 38.000 0.004 0.000 1.087 276 I HN -0.059 nan 8.210 nan 0.000 0.424 277 K N 1.508 121.905 120.400 -0.005 0.000 2.283 277 K HA -0.099 4.221 4.320 0.000 0.000 0.202 277 K C 2.049 178.646 176.600 -0.005 0.000 1.048 277 K CA 1.072 57.355 56.287 -0.006 0.000 0.948 277 K CB 0.044 32.538 32.500 -0.010 0.000 0.742 277 K HN 0.293 nan 8.250 nan 0.000 0.458 278 A N 0.730 123.546 122.820 -0.006 0.000 2.015 278 A HA -0.106 4.214 4.320 0.000 0.000 0.219 278 A C 1.970 179.554 177.584 -0.001 0.000 1.163 278 A CA 1.741 53.775 52.037 -0.005 0.000 0.646 278 A CB -0.344 18.652 19.000 -0.007 0.000 0.806 278 A HN 0.481 nan 8.150 nan 0.000 0.448 279 S N -2.228 113.473 115.700 0.002 0.000 2.470 279 S HA 0.361 4.831 4.470 0.000 0.000 0.225 279 S C 1.454 176.057 174.600 0.006 0.000 1.006 279 S CA 1.123 59.327 58.200 0.005 0.000 0.934 279 S CB -0.141 63.065 63.200 0.009 0.000 0.778 279 S HN 1.834 nan 8.310 nan 0.000 0.517 280 G N 0.695 109.498 108.800 0.005 0.000 2.148 280 G HA2 0.020 3.980 3.960 0.000 0.000 0.203 280 G HA3 0.020 3.980 3.960 0.000 0.000 0.203 280 G C 0.101 175.005 174.900 0.007 0.000 0.993 280 G CA -0.220 44.883 45.100 0.005 0.000 0.661 280 G HN 1.192 nan 8.290 nan 0.000 0.518 281 A N 0.520 123.345 122.820 0.009 0.000 2.366 281 A HA 0.627 4.947 4.320 0.000 0.000 0.272 281 A C 1.007 178.593 177.584 0.003 0.000 1.135 281 A CA 0.486 52.530 52.037 0.012 0.000 0.804 281 A CB 0.290 19.300 19.000 0.017 0.000 1.064 281 A HN 0.975 nan 8.150 nan 0.000 0.499 282 N N 1.264 119.966 118.700 0.003 0.000 2.177 282 N HA 0.193 4.934 4.740 0.000 0.000 0.218 282 N C -0.769 174.728 175.510 -0.023 0.000 1.182 282 N CA -0.008 53.037 53.050 -0.009 0.000 0.882 282 N CB 0.585 39.069 38.487 -0.004 0.000 1.052 282 N HN 0.222 nan 8.380 nan 0.000 0.519 283 V N 1.008 120.908 119.914 -0.023 0.000 2.733 283 V HA 0.505 4.625 4.120 0.000 0.000 0.306 283 V C -1.601 174.446 176.094 -0.079 0.000 1.084 283 V CA -0.916 61.343 62.300 -0.068 0.000 0.905 283 V CB 2.381 34.189 31.823 -0.026 0.000 1.010 283 V HN 0.163 nan 8.190 nan 0.000 0.424 284 L N 4.893 125.989 121.223 -0.212 0.000 2.438 284 L HA 0.722 5.062 4.340 0.000 0.000 0.270 284 L C -1.740 174.939 176.870 -0.320 0.000 0.972 284 L CA 0.045 54.795 54.840 -0.150 0.000 0.831 284 L CB 1.740 43.747 42.059 -0.086 0.000 1.273 284 L HN 0.500 nan 8.230 nan 0.000 0.405 285 F N 4.967 124.925 119.950 0.013 0.000 2.382 285 F HA 0.443 4.970 4.527 0.000 0.000 0.361 285 F C 0.038 175.844 175.800 0.010 0.000 1.109 285 F CA -0.372 57.635 58.000 0.011 0.000 1.031 285 F CB 1.409 40.414 39.000 0.008 0.000 1.234 285 F HN 0.503 nan 8.300 nan 0.000 0.445 286 C N 4.281 123.667 119.300 0.145 0.000 2.350 286 C HA 0.229 4.690 4.460 0.000 0.000 0.348 286 C C 1.599 176.647 174.990 0.097 0.000 1.260 286 C CA -0.250 58.826 59.018 0.097 0.000 1.966 286 C CB 0.890 28.661 27.740 0.052 0.000 2.380 286 C HN 1.036 nan 8.230 nan 0.000 0.535 287 Q N 2.690 122.534 119.800 0.073 0.000 2.163 287 Q HA 0.034 4.374 4.340 0.000 0.000 0.198 287 Q C 0.962 176.987 176.000 0.043 0.000 0.954 287 Q CA 1.040 56.877 55.803 0.055 0.000 0.851 287 Q CB 0.213 28.975 28.738 0.040 0.000 0.928 287 Q HN 0.652 nan 8.270 nan 0.000 0.459 288 K N -0.230 120.193 120.400 0.038 0.000 2.720 288 K HA 0.355 4.675 4.320 0.000 0.000 0.281 288 K C 0.142 176.760 176.600 0.031 0.000 1.019 288 K CA -0.016 56.289 56.287 0.031 0.000 1.088 288 K CB -0.375 32.140 32.500 0.026 0.000 1.449 288 K HN 0.147 nan 8.250 nan 0.000 0.542 289 G N 0.338 109.153 108.800 0.026 0.000 2.448 289 G HA2 0.533 4.494 3.960 0.000 0.000 0.285 289 G HA3 0.533 4.494 3.960 0.000 0.000 0.285 289 G C -0.429 174.486 174.900 0.026 0.000 1.176 289 G CA -0.570 44.545 45.100 0.024 0.000 0.852 289 G HN 0.307 nan 8.290 nan 0.000 0.530 290 I N 1.211 121.795 120.570 0.024 0.000 2.406 290 I HA 0.171 4.341 4.170 0.000 0.000 0.290 290 I C -0.227 175.906 176.117 0.026 0.000 0.999 290 I CA -0.815 60.500 61.300 0.026 0.000 1.124 290 I CB 1.863 39.875 38.000 0.021 0.000 1.289 290 I HN 0.365 nan 8.210 nan 0.000 0.441 291 D N 4.370 124.791 120.400 0.034 0.000 2.400 291 D HA -0.073 4.567 4.640 0.000 0.000 0.238 291 D C 0.657 176.975 176.300 0.031 0.000 1.157 291 D CA 0.315 54.335 54.000 0.034 0.000 0.889 291 D CB 1.302 42.129 40.800 0.046 0.000 1.199 291 D HN 0.515 nan 8.370 nan 0.000 0.436 292 D N 2.073 122.483 120.400 0.017 0.000 2.144 292 D HA -0.103 4.537 4.640 0.000 0.000 0.199 292 D C 2.091 178.385 176.300 -0.011 0.000 0.984 292 D CA 0.687 54.688 54.000 0.001 0.000 0.834 292 D CB 0.100 40.894 40.800 -0.011 0.000 0.955 292 D HN 0.415 nan 8.370 nan 0.000 0.465 293 L N 0.265 121.484 121.223 -0.006 0.000 2.046 293 L HA -0.164 4.176 4.340 0.000 0.000 0.208 293 L C 2.485 179.350 176.870 -0.009 0.000 1.077 293 L CA 1.319 56.130 54.840 -0.047 0.000 0.747 293 L CB -0.360 41.733 42.059 0.056 0.000 0.896 293 L HN -0.019 nan 8.230 nan 0.000 0.432 294 A N -0.813 122.077 122.820 0.116 0.000 2.015 294 A HA -0.199 4.121 4.320 0.000 0.000 0.219 294 A C 2.188 179.831 177.584 0.098 0.000 1.163 294 A CA 1.157 53.303 52.037 0.183 0.000 0.646 294 A CB -0.331 18.752 19.000 0.137 0.000 0.806 294 A HN 0.491 nan 8.150 nan 0.000 0.448 295 Q N -1.348 118.477 119.800 0.043 0.000 2.119 295 Q HA -0.179 4.161 4.340 0.000 0.000 0.201 295 Q C 2.088 178.089 176.000 0.002 0.000 0.972 295 Q CA 1.373 57.187 55.803 0.017 0.000 0.847 295 Q CB -0.328 28.416 28.738 0.009 0.000 0.903 295 Q HN 0.918 nan 8.270 nan 0.000 0.433 296 H N -0.413 118.576 119.070 -0.135 0.000 2.389 296 H HA -0.132 4.424 4.556 0.000 0.000 0.299 296 H C 1.259 176.489 175.328 -0.163 0.000 1.081 296 H CA 1.337 57.263 56.048 -0.203 0.000 1.345 296 H CB 0.184 29.739 29.762 -0.344 0.000 1.393 296 H HN 0.279 nan 8.280 nan 0.000 0.520 297 Y N 0.690 120.941 120.300 -0.083 0.000 2.263 297 Y HA -0.079 4.471 4.550 0.000 0.000 0.292 297 Y C 2.887 178.714 175.900 -0.121 0.000 1.130 297 Y CA 0.509 58.532 58.100 -0.129 0.000 1.179 297 Y CB -0.491 37.962 38.460 -0.011 0.000 0.998 297 Y HN 0.108 nan 8.280 nan 0.000 0.532 298 L N -0.809 120.451 121.223 0.063 0.000 2.046 298 L HA -0.224 4.116 4.340 0.000 0.000 0.208 298 L C 2.585 179.432 176.870 -0.039 0.000 1.077 298 L CA 1.263 56.109 54.840 0.010 0.000 0.747 298 L CB -0.691 41.371 42.059 0.004 0.000 0.896 298 L HN 0.215 nan 8.230 nan 0.000 0.432 299 A N -0.543 122.230 122.820 -0.077 0.000 2.015 299 A HA -0.210 4.110 4.320 0.000 0.000 0.219 299 A C 2.362 179.881 177.584 -0.107 0.000 1.163 299 A CA 1.498 53.482 52.037 -0.088 0.000 0.646 299 A CB -0.337 18.610 19.000 -0.087 0.000 0.806 299 A HN 0.308 nan 8.150 nan 0.000 0.448 300 K N -0.334 119.968 120.400 -0.163 0.000 2.155 300 K HA -0.089 4.231 4.320 0.000 0.000 0.203 300 K C 1.319 177.882 176.600 -0.060 0.000 1.052 300 K CA 1.158 57.360 56.287 -0.141 0.000 0.948 300 K CB 0.009 32.388 32.500 -0.203 0.000 0.728 300 K HN 0.397 nan 8.250 nan 0.000 0.448 301 E N -0.715 119.461 120.200 -0.040 0.000 2.371 301 E HA -0.013 4.338 4.350 0.000 0.000 0.194 301 E C 0.989 177.574 176.600 -0.024 0.000 1.012 301 E CA 0.900 57.288 56.400 -0.022 0.000 0.860 301 E CB 0.579 30.273 29.700 -0.010 0.000 0.811 301 E HN 0.566 nan 8.360 nan 0.000 0.502 302 G N 1.748 110.529 108.800 -0.032 0.000 2.141 302 G HA2 -0.253 3.707 3.960 0.000 0.000 0.231 302 G HA3 -0.253 3.707 3.960 0.000 0.000 0.231 302 G C 0.247 175.129 174.900 -0.030 0.000 0.984 302 G CA -0.000 45.082 45.100 -0.029 0.000 0.660 302 G HN 0.220 nan 8.290 nan 0.000 0.525 303 I N 1.717 122.267 120.570 -0.034 0.000 2.301 303 I HA 0.305 4.475 4.170 0.000 0.000 0.292 303 I C 0.804 176.886 176.117 -0.059 0.000 1.046 303 I CA -0.901 60.375 61.300 -0.040 0.000 1.282 303 I CB 1.435 39.416 38.000 -0.031 0.000 1.409 303 I HN -0.118 nan 8.210 nan 0.000 0.484 304 V N 6.635 126.504 119.914 -0.076 0.000 2.439 304 V HA 0.438 4.559 4.120 0.000 0.000 0.271 304 V C 0.652 176.638 176.094 -0.181 0.000 1.040 304 V CA -0.132 62.103 62.300 -0.109 0.000 1.002 304 V CB 0.496 32.256 31.823 -0.105 0.000 1.000 304 V HN 0.852 nan 8.190 nan 0.000 0.477 305 A N 4.499 127.216 122.820 -0.172 0.000 2.413 305 A HA 1.000 5.320 4.320 0.000 0.000 0.307 305 A C -0.346 177.113 177.584 -0.207 0.000 1.087 305 A CA -0.356 51.555 52.037 -0.210 0.000 0.750 305 A CB 1.988 20.921 19.000 -0.111 0.000 1.296 305 A HN 1.365 nan 8.150 nan 0.000 0.423 306 A N 1.376 124.059 122.820 -0.228 0.000 2.398 306 A HA 0.722 5.042 4.320 0.000 0.000 0.301 306 A C -0.211 177.374 177.584 0.002 0.000 1.041 306 A CA -0.733 51.245 52.037 -0.099 0.000 0.711 306 A CB 0.924 19.872 19.000 -0.086 0.000 1.240 306 A HN 1.147 nan 8.150 nan 0.000 0.420 307 R N 1.665 122.177 120.500 0.021 0.000 2.573 307 R HA 0.752 5.092 4.340 0.000 0.000 0.272 307 R C -0.458 175.873 176.300 0.051 0.000 1.009 307 R CA -0.795 55.327 56.100 0.036 0.000 1.059 307 R CB 0.630 30.943 30.300 0.022 0.000 1.112 307 R HN 0.664 nan 8.270 nan 0.000 0.517 308 R N 0.139 120.668 120.500 0.049 0.000 3.127 308 R HA -0.134 4.206 4.340 0.000 0.000 0.247 308 R C -0.773 175.560 176.300 0.055 0.000 0.896 308 R CA 0.489 56.616 56.100 0.044 0.000 0.624 308 R CB -1.630 28.689 30.300 0.032 0.000 1.154 308 R HN 0.426 nan 8.270 nan 0.000 0.474 309 V N 2.286 122.245 119.914 0.075 0.000 2.546 309 V HA 0.112 4.232 4.120 0.000 0.000 0.284 309 V C 1.137 177.253 176.094 0.036 0.000 1.050 309 V CA -0.492 61.855 62.300 0.078 0.000 0.981 309 V CB 1.514 33.417 31.823 0.134 0.000 0.990 309 V HN 0.165 nan 8.190 nan 0.000 0.474 310 K N 3.281 123.690 120.400 0.015 0.000 2.485 310 K HA -0.021 4.300 4.320 0.000 0.000 0.277 310 K C 1.265 177.860 176.600 -0.008 0.000 0.990 310 K CA 0.221 56.508 56.287 0.000 0.000 0.994 310 K CB 0.463 32.957 32.500 -0.011 0.000 0.906 310 K HN 0.612 nan 8.250 nan 0.000 0.488 311 K N 1.656 122.053 120.400 -0.005 0.000 2.152 311 K HA -0.179 4.141 4.320 0.000 0.000 0.206 311 K C 1.632 178.220 176.600 -0.020 0.000 1.048 311 K CA 1.898 58.180 56.287 -0.008 0.000 0.933 311 K CB 0.127 32.625 32.500 -0.004 0.000 0.721 311 K HN 0.625 nan 8.250 nan 0.000 0.447 312 S N 0.111 115.796 115.700 -0.025 0.000 2.414 312 S HA -0.075 4.395 4.470 0.000 0.000 0.227 312 S C 1.427 175.996 174.600 -0.052 0.000 1.022 312 S CA 0.907 59.087 58.200 -0.034 0.000 0.958 312 S CB -0.053 63.128 63.200 -0.031 0.000 0.797 312 S HN 0.259 nan 8.310 nan 0.000 0.493 313 D N 1.282 121.645 120.400 -0.061 0.000 2.224 313 D HA 0.083 4.723 4.640 0.000 0.000 0.205 313 D C 1.895 178.120 176.300 -0.124 0.000 0.965 313 D CA 0.776 54.716 54.000 -0.099 0.000 0.852 313 D CB -0.163 40.575 40.800 -0.103 0.000 0.947 313 D HN 0.321 nan 8.370 nan 0.000 0.494 314 M N 0.384 119.934 119.600 -0.083 0.000 2.175 314 M HA -0.073 4.407 4.480 0.000 0.000 0.264 314 M C 1.829 178.089 176.300 -0.066 0.000 1.063 314 M CA 1.123 56.378 55.300 -0.074 0.000 1.119 314 M CB -0.674 31.912 32.600 -0.024 0.000 1.377 314 M HN 0.063 nan 8.290 nan 0.000 0.415 315 E N -0.119 120.050 120.200 -0.053 0.000 2.208 315 E HA -0.124 4.227 4.350 0.000 0.000 0.193 315 E C 2.095 178.661 176.600 -0.056 0.000 0.988 315 E CA 0.587 56.961 56.400 -0.044 0.000 0.828 315 E CB 0.123 29.803 29.700 -0.033 0.000 0.763 315 E HN 0.356 nan 8.360 nan 0.000 0.478 316 K N 0.759 121.113 120.400 -0.076 0.000 2.001 316 K HA -0.096 4.224 4.320 0.000 0.000 0.208 316 K C 2.264 178.802 176.600 -0.103 0.000 1.048 316 K CA 0.816 57.050 56.287 -0.088 0.000 0.932 316 K CB -0.409 32.027 32.500 -0.106 0.000 0.715 316 K HN 0.175 nan 8.250 nan 0.000 0.437 317 L N 0.802 121.939 121.223 -0.145 0.000 2.079 317 L HA -0.185 4.156 4.340 0.000 0.000 0.210 317 L C 2.587 179.404 176.870 -0.087 0.000 1.081 317 L CA 1.262 56.003 54.840 -0.165 0.000 0.752 317 L CB -0.573 41.314 42.059 -0.287 0.000 0.896 317 L HN 0.147 nan 8.230 nan 0.000 0.433 318 A N -0.152 122.630 122.820 -0.064 0.000 1.933 318 A HA -0.195 4.125 4.320 0.000 0.000 0.218 318 A C 2.292 179.863 177.584 -0.021 0.000 1.175 318 A CA 1.578 53.598 52.037 -0.029 0.000 0.628 318 A CB -0.258 18.730 19.000 -0.021 0.000 0.814 318 A HN 0.347 nan 8.150 nan 0.000 0.444 319 K N -0.806 119.576 120.400 -0.031 0.000 2.314 319 K HA 0.213 4.533 4.320 0.000 0.000 0.198 319 K C 2.078 178.662 176.600 -0.026 0.000 1.045 319 K CA 0.695 56.968 56.287 -0.024 0.000 0.988 319 K CB -0.021 32.461 32.500 -0.030 0.000 0.783 319 K HN 0.423 nan 8.250 nan 0.000 0.484 320 A N 1.206 124.003 122.820 -0.038 0.000 1.911 320 A HA -0.075 4.245 4.320 0.000 0.000 0.212 320 A C 2.211 179.785 177.584 -0.016 0.000 1.189 320 A CA 1.555 53.569 52.037 -0.039 0.000 0.639 320 A CB -0.520 18.445 19.000 -0.058 0.000 0.839 320 A HN 0.336 nan 8.150 nan 0.000 0.449 321 T N -4.475 110.073 114.554 -0.010 0.000 3.044 321 T HA 0.401 4.751 4.350 0.000 0.000 0.255 321 T C 1.260 175.977 174.700 0.029 0.000 1.073 321 T CA 1.159 63.267 62.100 0.014 0.000 1.125 321 T CB 0.069 68.948 68.868 0.019 0.000 0.908 321 T HN 1.747 nan 8.240 nan 0.000 0.480 322 G N 1.133 109.947 108.800 0.023 0.000 2.288 322 G HA2 0.253 4.213 3.960 0.000 0.000 0.205 322 G HA3 0.253 4.213 3.960 0.000 0.000 0.205 322 G C 0.017 174.933 174.900 0.027 0.000 1.071 322 G CA -0.209 44.910 45.100 0.032 0.000 0.788 322 G HN 1.016 nan 8.290 nan 0.000 0.491 323 A N -0.308 122.525 122.820 0.022 0.000 2.352 323 A HA 0.928 5.249 4.320 0.000 0.000 0.299 323 A C 0.026 177.622 177.584 0.020 0.000 1.160 323 A CA -0.797 51.255 52.037 0.026 0.000 0.933 323 A CB 1.051 20.072 19.000 0.035 0.000 1.387 323 A HN 0.360 nan 8.150 nan 0.000 0.487 324 N N -0.595 118.118 118.700 0.022 0.000 2.258 324 N HA 0.411 5.152 4.740 0.000 0.000 0.299 324 N C -1.423 174.100 175.510 0.021 0.000 1.047 324 N CA -0.362 52.699 53.050 0.018 0.000 0.814 324 N CB 2.009 40.506 38.487 0.017 0.000 1.413 324 N HN 0.266 nan 8.380 nan 0.000 0.478 325 V N 3.254 123.178 119.914 0.017 0.000 2.387 325 V HA 0.231 4.352 4.120 0.000 0.000 0.260 325 V C 0.360 176.466 176.094 0.020 0.000 1.054 325 V CA -0.279 62.033 62.300 0.020 0.000 0.967 325 V CB -0.251 31.580 31.823 0.013 0.000 1.036 325 V HN 0.433 nan 8.190 nan 0.000 0.481 326 I N 4.842 125.427 120.570 0.024 0.000 2.336 326 I HA 0.276 4.446 4.170 0.000 0.000 0.292 326 I C 1.203 177.333 176.117 0.021 0.000 0.991 326 I CA 0.041 61.354 61.300 0.021 0.000 1.227 326 I CB 1.377 39.391 38.000 0.022 0.000 1.366 326 I HN 0.531 nan 8.210 nan 0.000 0.466 327 T N 3.341 117.906 114.554 0.017 0.000 3.086 327 T HA 0.052 4.402 4.350 0.000 0.000 0.250 327 T C 0.683 175.393 174.700 0.016 0.000 1.074 327 T CA 0.175 62.286 62.100 0.017 0.000 0.988 327 T CB -0.354 68.523 68.868 0.014 0.000 0.988 327 T HN 0.447 nan 8.240 nan 0.000 0.530 328 N N 0.763 119.472 118.700 0.015 0.000 2.504 328 N HA 0.364 5.105 4.740 0.000 0.000 0.280 328 N C 0.300 175.818 175.510 0.014 0.000 1.052 328 N CA -0.536 52.522 53.050 0.014 0.000 0.887 328 N CB 0.988 39.482 38.487 0.011 0.000 1.323 328 N HN 0.026 nan 8.380 nan 0.000 0.509 329 I N 2.536 123.114 120.570 0.014 0.000 2.756 329 I HA -0.105 4.065 4.170 0.000 0.000 0.262 329 I C 1.351 177.474 176.117 0.009 0.000 1.225 329 I CA 0.898 62.206 61.300 0.014 0.000 1.472 329 I CB 0.279 38.287 38.000 0.015 0.000 1.094 329 I HN 0.424 nan 8.210 nan 0.000 0.454 330 K N -0.143 120.262 120.400 0.008 0.000 2.217 330 K HA -0.113 4.207 4.320 0.000 0.000 0.202 330 K C 1.089 177.692 176.600 0.005 0.000 1.051 330 K CA 0.851 57.141 56.287 0.005 0.000 0.952 330 K CB -0.213 32.290 32.500 0.005 0.000 0.736 330 K HN 0.378 nan 8.250 nan 0.000 0.453 331 D N 0.851 121.255 120.400 0.007 0.000 2.388 331 D HA -0.002 4.638 4.640 0.000 0.000 0.221 331 D C -0.493 175.812 176.300 0.009 0.000 1.133 331 D CA -0.206 53.799 54.000 0.007 0.000 0.831 331 D CB 0.249 41.054 40.800 0.008 0.000 0.962 331 D HN -0.057 nan 8.370 nan 0.000 0.502 332 L N 1.643 122.872 121.223 0.010 0.000 2.536 332 L HA 0.092 4.432 4.340 0.000 0.000 0.282 332 L C 0.238 177.113 176.870 0.010 0.000 1.147 332 L CA 0.244 55.091 54.840 0.012 0.000 0.936 332 L CB 0.463 42.530 42.059 0.013 0.000 1.279 332 L HN -0.237 nan 8.230 nan 0.000 0.461 333 S N 3.085 118.792 115.700 0.010 0.000 2.624 333 S HA 0.541 5.011 4.470 0.000 0.000 0.263 333 S C 1.384 175.990 174.600 0.010 0.000 1.287 333 S CA -0.034 58.172 58.200 0.009 0.000 0.990 333 S CB 1.382 64.587 63.200 0.008 0.000 0.950 333 S HN 0.797 nan 8.310 nan 0.000 0.561 334 A N 1.579 124.404 122.820 0.009 0.000 2.119 334 A HA 0.079 4.399 4.320 0.000 0.000 0.216 334 A C 1.730 179.321 177.584 0.012 0.000 1.152 334 A CA 0.807 52.850 52.037 0.010 0.000 0.708 334 A CB -0.427 18.577 19.000 0.007 0.000 0.805 334 A HN 0.795 nan 8.150 nan 0.000 0.460 335 Q N 0.094 119.900 119.800 0.011 0.000 2.403 335 Q HA 0.040 4.380 4.340 0.000 0.000 0.203 335 Q C 0.080 176.089 176.000 0.014 0.000 0.932 335 Q CA 0.615 56.425 55.803 0.011 0.000 0.945 335 Q CB 0.282 29.025 28.738 0.008 0.000 1.045 335 Q HN 0.472 nan 8.270 nan 0.000 0.511 336 D N -0.279 120.131 120.400 0.016 0.000 2.325 336 D HA 0.092 4.732 4.640 0.000 0.000 0.225 336 D C -0.313 176.003 176.300 0.026 0.000 1.096 336 D CA 0.189 54.201 54.000 0.020 0.000 0.844 336 D CB 0.287 41.099 40.800 0.019 0.000 0.925 336 D HN 0.230 nan 8.370 nan 0.000 0.513 337 L N 0.221 121.460 121.223 0.027 0.000 2.325 337 L HA 0.533 4.873 4.340 0.000 0.000 0.279 337 L C 1.246 178.137 176.870 0.036 0.000 1.054 337 L CA -0.911 53.950 54.840 0.034 0.000 0.804 337 L CB 1.603 43.681 42.059 0.032 0.000 1.200 337 L HN -0.123 nan 8.230 nan 0.000 0.436 338 G N 0.263 109.090 108.800 0.045 0.000 2.522 338 G HA2 0.406 4.366 3.960 0.000 0.000 0.304 338 G HA3 0.406 4.366 3.960 0.000 0.000 0.304 338 G C -1.570 173.358 174.900 0.047 0.000 1.210 338 G CA -0.119 45.007 45.100 0.044 0.000 0.960 338 G HN 0.620 nan 8.290 nan 0.000 0.497 339 D N -1.110 119.316 120.400 0.045 0.000 2.686 339 D HA 0.585 5.225 4.640 0.000 0.000 0.249 339 D C -0.441 175.887 176.300 0.046 0.000 1.260 339 D CA -0.095 53.931 54.000 0.044 0.000 0.910 339 D CB 1.599 42.421 40.800 0.037 0.000 1.323 339 D HN 0.575 nan 8.370 nan 0.000 0.561 340 A N 1.900 124.751 122.820 0.052 0.000 2.414 340 A HA 0.651 4.971 4.320 0.000 0.000 0.306 340 A C 1.074 178.689 177.584 0.051 0.000 1.054 340 A CA -0.344 51.725 52.037 0.053 0.000 0.724 340 A CB 1.679 20.718 19.000 0.064 0.000 1.267 340 A HN 0.579 nan 8.150 nan 0.000 0.418 341 G N 0.137 108.964 108.800 0.046 0.000 2.484 341 G HA2 0.336 4.296 3.960 0.000 0.000 0.218 341 G HA3 0.336 4.296 3.960 0.000 0.000 0.218 341 G C 0.253 175.179 174.900 0.043 0.000 1.130 341 G CA 0.772 45.897 45.100 0.041 0.000 0.784 341 G HN 0.658 nan 8.290 nan 0.000 0.543 342 L N 0.335 121.592 121.223 0.057 0.000 2.543 342 L HA 0.486 4.826 4.340 0.000 0.000 0.265 342 L C -1.620 175.305 176.870 0.091 0.000 0.945 342 L CA -0.699 54.178 54.840 0.062 0.000 0.869 342 L CB 2.723 44.815 42.059 0.054 0.000 1.294 342 L HN -0.176 nan 8.230 nan 0.000 0.405 343 V N 3.609 123.578 119.914 0.091 0.000 2.443 343 V HA 0.543 4.664 4.120 0.000 0.000 0.293 343 V C -0.588 175.567 176.094 0.102 0.000 1.021 343 V CA -0.472 61.904 62.300 0.128 0.000 0.848 343 V CB 1.721 33.625 31.823 0.134 0.000 0.998 343 V HN 0.740 nan 8.190 nan 0.000 0.424 344 E N 3.110 123.388 120.200 0.130 0.000 2.331 344 E HA 0.418 4.768 4.350 0.000 0.000 0.275 344 E C -1.133 175.535 176.600 0.115 0.000 0.895 344 E CA -0.678 55.769 56.400 0.077 0.000 0.753 344 E CB 2.378 32.084 29.700 0.010 0.000 1.216 344 E HN 0.755 nan 8.360 nan 0.000 0.434 345 E N 4.469 124.710 120.200 0.068 0.000 2.046 345 E HA 0.232 4.582 4.350 0.000 0.000 0.279 345 E C -0.741 175.876 176.600 0.028 0.000 0.989 345 E CA -0.316 56.137 56.400 0.088 0.000 0.798 345 E CB 0.626 30.364 29.700 0.064 0.000 1.086 345 E HN 0.340 nan 8.360 nan 0.000 0.399 346 R N 3.104 123.613 120.500 0.016 0.000 2.674 346 R HA 0.399 4.739 4.340 0.000 0.000 0.266 346 R C -0.243 176.066 176.300 0.015 0.000 1.016 346 R CA -0.839 55.199 56.100 -0.104 0.000 1.062 346 R CB 1.275 31.295 30.300 -0.467 0.000 1.142 346 R HN 0.280 nan 8.270 nan 0.000 0.517 347 K N 1.841 122.233 120.400 -0.013 0.000 2.423 347 K HA 0.253 4.573 4.320 0.000 0.000 0.234 347 K C -0.939 175.680 176.600 0.032 0.000 1.051 347 K CA -0.439 55.866 56.287 0.029 0.000 1.021 347 K CB 0.662 33.169 32.500 0.012 0.000 1.474 347 K HN 0.256 nan 8.250 nan 0.000 0.474 348 I N 1.609 122.238 120.570 0.098 0.000 2.331 348 I HA 0.010 4.180 4.170 0.000 0.000 0.292 348 I C 0.470 176.640 176.117 0.088 0.000 0.998 348 I CA 0.675 62.041 61.300 0.108 0.000 1.267 348 I CB 1.342 39.488 38.000 0.243 0.000 1.386 348 I HN 0.642 nan 8.210 nan 0.000 0.476 349 S N 5.075 120.808 115.700 0.055 0.000 3.706 349 S HA -0.153 4.317 4.470 0.000 0.000 0.363 349 S C 1.107 175.726 174.600 0.032 0.000 0.999 349 S CA 1.424 59.647 58.200 0.038 0.000 1.143 349 S CB -1.566 61.657 63.200 0.038 0.000 0.902 349 S HN 2.079 nan 8.310 nan 0.000 0.476 350 G N 0.717 109.534 108.800 0.029 0.000 3.444 350 G HA2 -0.298 3.662 3.960 0.000 0.000 0.222 350 G HA3 -0.298 3.662 3.960 0.000 0.000 0.222 350 G C -0.210 174.709 174.900 0.031 0.000 1.358 350 G CA 0.367 45.482 45.100 0.024 0.000 0.880 350 G HN 0.759 nan 8.290 nan 0.000 0.555 351 D N 1.824 122.246 120.400 0.038 0.000 2.372 351 D HA 0.496 5.136 4.640 0.000 0.000 0.243 351 D C 0.743 177.082 176.300 0.066 0.000 1.121 351 D CA 0.847 54.873 54.000 0.044 0.000 0.898 351 D CB 1.411 42.234 40.800 0.039 0.000 1.202 351 D HN 0.693 nan 8.370 nan 0.000 0.428 352 S N 1.316 117.054 115.700 0.064 0.000 2.442 352 S HA 0.699 5.169 4.470 0.000 0.000 0.297 352 S C -0.087 174.577 174.600 0.107 0.000 1.131 352 S CA -0.835 57.416 58.200 0.085 0.000 1.092 352 S CB 1.271 64.506 63.200 0.059 0.000 0.998 352 S HN 0.382 nan 8.310 nan 0.000 0.478 353 M N 2.383 122.087 119.600 0.173 0.000 2.631 353 M HA 0.518 4.998 4.480 0.000 0.000 0.288 353 M C -1.144 175.314 176.300 0.263 0.000 1.260 353 M CA -0.724 54.679 55.300 0.172 0.000 0.842 353 M CB 2.227 34.892 32.600 0.108 0.000 1.743 353 M HN 0.582 nan 8.290 nan 0.000 0.461 354 I N 1.813 122.508 120.570 0.208 0.000 2.297 354 I HA 0.240 4.410 4.170 0.000 0.000 0.291 354 I C -1.204 175.064 176.117 0.252 0.000 1.033 354 I CA -0.260 61.200 61.300 0.267 0.000 1.253 354 I CB 0.410 38.586 38.000 0.292 0.000 1.396 354 I HN 0.388 nan 8.210 nan 0.000 0.476 355 F N 6.344 126.338 119.950 0.072 0.000 2.375 355 F HA 0.226 4.753 4.527 0.000 0.000 0.362 355 F C 0.352 176.191 175.800 0.064 0.000 1.129 355 F CA -0.476 57.554 58.000 0.050 0.000 1.154 355 F CB 0.966 39.985 39.000 0.033 0.000 1.205 355 F HN 0.073 nan 8.300 nan 0.000 0.513 356 V N 5.231 125.230 119.914 0.142 0.000 2.284 356 V HA 0.231 4.351 4.120 0.000 0.000 0.260 356 V C 0.008 176.147 176.094 0.076 0.000 1.084 356 V CA -0.381 61.987 62.300 0.114 0.000 0.894 356 V CB -0.278 31.573 31.823 0.047 0.000 1.119 356 V HN 0.776 nan 8.190 nan 0.000 0.484 357 E N 2.426 122.691 120.200 0.109 0.000 2.428 357 E HA 0.619 4.969 4.350 0.000 0.000 0.259 357 E C -0.559 176.080 176.600 0.066 0.000 0.930 357 E CA -1.048 55.404 56.400 0.086 0.000 0.823 357 E CB 1.258 31.038 29.700 0.135 0.000 1.403 357 E HN 0.313 nan 8.360 nan 0.000 0.415 358 E N -0.696 119.535 120.200 0.052 0.000 2.320 358 E HA -0.188 4.163 4.350 0.000 0.000 0.234 358 E C -0.808 175.814 176.600 0.036 0.000 1.183 358 E CA 0.231 56.655 56.400 0.040 0.000 0.713 358 E CB -1.911 27.814 29.700 0.041 0.000 1.226 358 E HN 0.435 nan 8.360 nan 0.000 0.382 359 C N 0.608 119.925 119.300 0.030 0.000 2.520 359 C HA 0.192 4.652 4.460 0.000 0.000 0.376 359 C C 1.982 176.993 174.990 0.036 0.000 1.268 359 C CA -0.829 58.208 59.018 0.031 0.000 2.414 359 C CB 1.111 28.863 27.740 0.019 0.000 2.521 359 C HN 0.386 nan 8.230 nan 0.000 0.618 360 K N 0.572 121.004 120.400 0.053 0.000 1.995 360 K HA -0.019 4.301 4.320 0.000 0.000 0.207 360 K C 0.510 177.183 176.600 0.121 0.000 1.041 360 K CA 1.496 57.829 56.287 0.075 0.000 0.942 360 K CB -0.335 32.209 32.500 0.074 0.000 0.731 360 K HN 0.729 nan 8.250 nan 0.000 0.439 361 H N 1.369 120.441 119.070 0.004 0.000 2.541 361 H HA 0.276 4.832 4.556 0.000 0.000 0.246 361 H C -2.648 172.679 175.328 -0.002 0.000 1.341 361 H CA -2.197 53.852 56.048 0.001 0.000 1.469 361 H CB 0.503 30.266 29.762 0.002 0.000 1.472 361 H HN -0.056 nan 8.280 nan 0.000 0.503 362 P HA 0.212 nan 4.420 nan 0.000 0.285 362 P C 0.240 177.437 177.300 -0.173 0.000 1.259 362 P CA -0.656 62.372 63.100 -0.119 0.000 0.794 362 P CB 1.434 33.082 31.700 -0.087 0.000 0.940 363 K N 0.625 120.963 120.400 -0.104 0.000 2.358 363 K HA 0.403 4.723 4.320 0.000 0.000 0.200 363 K C 0.357 176.917 176.600 -0.066 0.000 1.030 363 K CA 0.027 56.261 56.287 -0.088 0.000 1.097 363 K CB 0.757 33.229 32.500 -0.048 0.000 0.862 363 K HN 0.513 nan 8.250 nan 0.000 0.534 364 A N 0.654 123.436 122.820 -0.064 0.000 2.401 364 A HA 0.716 5.036 4.320 0.000 0.000 0.310 364 A C -0.990 176.556 177.584 -0.062 0.000 1.075 364 A CA -0.564 51.437 52.037 -0.060 0.000 0.746 364 A CB 1.852 20.816 19.000 -0.060 0.000 1.277 364 A HN -0.090 nan 8.150 nan 0.000 0.425 365 V N 0.919 120.799 119.914 -0.058 0.000 2.888 365 V HA 0.590 4.710 4.120 0.000 0.000 0.309 365 V C -0.381 175.680 176.094 -0.055 0.000 1.114 365 V CA -0.408 61.859 62.300 -0.054 0.000 0.940 365 V CB 2.699 34.493 31.823 -0.048 0.000 1.021 365 V HN 0.990 nan 8.190 nan 0.000 0.426 366 T N 5.762 120.281 114.554 -0.057 0.000 2.794 366 T HA 0.511 4.861 4.350 0.000 0.000 0.280 366 T C -0.337 174.335 174.700 -0.047 0.000 0.987 366 T CA -0.454 61.607 62.100 -0.064 0.000 0.993 366 T CB 1.009 69.820 68.868 -0.095 0.000 0.939 366 T HN 0.333 nan 8.240 nan 0.000 0.449 367 M N 3.833 123.408 119.600 -0.042 0.000 2.055 367 M HA 0.326 4.806 4.480 0.000 0.000 0.347 367 M C -0.711 175.572 176.300 -0.028 0.000 1.123 367 M CA -1.046 54.237 55.300 -0.027 0.000 1.035 367 M CB 0.657 33.244 32.600 -0.022 0.000 1.484 367 M HN 0.434 nan 8.290 nan 0.000 0.428 368 L N 6.499 127.711 121.223 -0.018 0.000 2.334 368 L HA 0.413 4.753 4.340 0.000 0.000 0.286 368 L C -0.631 176.241 176.870 0.002 0.000 1.108 368 L CA 0.301 55.134 54.840 -0.012 0.000 0.875 368 L CB -0.158 41.908 42.059 0.011 0.000 1.246 368 L HN 0.520 nan 8.230 nan 0.000 0.439 369 I N 5.789 126.356 120.570 -0.005 0.000 2.312 369 I HA 0.328 4.499 4.170 0.000 0.000 0.291 369 I C 0.243 176.363 176.117 0.005 0.000 1.031 369 I CA -0.198 61.102 61.300 0.000 0.000 1.293 369 I CB 0.257 38.254 38.000 -0.004 0.000 1.403 369 I HN 0.544 nan 8.210 nan 0.000 0.484 370 R N 4.521 125.027 120.500 0.011 0.000 2.778 370 R HA 0.882 5.222 4.340 0.000 0.000 0.277 370 R C -0.229 176.078 176.300 0.012 0.000 0.977 370 R CA -0.971 55.138 56.100 0.014 0.000 0.950 370 R CB 2.352 32.666 30.300 0.023 0.000 1.165 370 R HN 0.774 nan 8.270 nan 0.000 0.474 371 G N -0.751 108.056 108.800 0.011 0.000 2.506 371 G HA2 0.190 4.150 3.960 0.000 0.000 0.292 371 G HA3 0.190 4.150 3.960 0.000 0.000 0.292 371 G C 0.410 175.318 174.900 0.012 0.000 1.425 371 G CA -0.311 44.797 45.100 0.012 0.000 0.788 371 G HN 0.494 nan 8.290 nan 0.000 0.490 372 T N -2.481 112.082 114.554 0.015 0.000 2.812 372 T HA 0.163 4.513 4.350 0.000 0.000 0.264 372 T C 1.370 176.080 174.700 0.016 0.000 1.042 372 T CA 2.032 64.141 62.100 0.015 0.000 1.140 372 T CB -0.424 68.454 68.868 0.016 0.000 0.870 372 T HN 1.349 nan 8.240 nan 0.000 0.445 373 T N -1.303 113.264 114.554 0.021 0.000 2.924 373 T HA 0.569 4.920 4.350 0.000 0.000 0.291 373 T C 0.604 175.306 174.700 0.004 0.000 1.045 373 T CA -0.695 61.420 62.100 0.024 0.000 1.015 373 T CB 2.460 71.361 68.868 0.055 0.000 1.103 373 T HN -0.020 nan 8.240 nan 0.000 0.496 374 E N 0.176 120.351 120.200 -0.042 0.000 2.153 374 E HA -0.118 4.232 4.350 0.000 0.000 0.194 374 E C 1.483 177.991 176.600 -0.153 0.000 0.988 374 E CA 1.628 57.955 56.400 -0.121 0.000 0.811 374 E CB -0.413 29.171 29.700 -0.194 0.000 0.746 374 E HN 0.875 nan 8.360 nan 0.000 0.466 375 H N -1.659 117.414 119.070 0.005 0.000 2.470 375 H HA 0.038 4.594 4.556 0.000 0.000 0.289 375 H C 1.870 177.200 175.328 0.004 0.000 1.033 375 H CA 1.013 57.064 56.048 0.004 0.000 1.331 375 H CB 0.377 30.141 29.762 0.004 0.000 1.414 375 H HN 0.016 nan 8.280 nan 0.000 0.545 376 V N 0.447 120.424 119.914 0.105 0.000 2.379 376 V HA -0.197 3.923 4.120 0.000 0.000 0.245 376 V C 2.215 178.331 176.094 0.036 0.000 1.044 376 V CA 1.513 63.850 62.300 0.061 0.000 1.036 376 V CB -0.329 31.521 31.823 0.045 0.000 0.664 376 V HN 0.390 nan 8.190 nan 0.000 0.453 377 I N -0.028 120.554 120.570 0.019 0.000 2.163 377 I HA -0.287 3.883 4.170 0.000 0.000 0.243 377 I C 2.611 178.731 176.117 0.005 0.000 1.085 377 I CA 1.962 63.265 61.300 0.005 0.000 1.347 377 I CB -0.335 37.659 38.000 -0.011 0.000 1.044 377 I HN 0.383 nan 8.210 nan 0.000 0.408 378 E N 0.451 120.652 120.200 0.003 0.000 2.204 378 E HA -0.290 4.060 4.350 0.000 0.000 0.195 378 E C 1.937 178.551 176.600 0.024 0.000 0.990 378 E CA 1.237 57.641 56.400 0.007 0.000 0.821 378 E CB 0.161 29.863 29.700 0.003 0.000 0.750 378 E HN 0.357 nan 8.360 nan 0.000 0.477 379 E N -0.359 119.862 120.200 0.036 0.000 2.122 379 E HA -0.075 4.276 4.350 0.000 0.000 0.190 379 E C 1.861 178.474 176.600 0.022 0.000 0.977 379 E CA 0.630 57.049 56.400 0.032 0.000 0.820 379 E CB 0.081 29.804 29.700 0.039 0.000 0.770 379 E HN 0.060 nan 8.360 nan 0.000 0.462 380 V N 0.923 120.848 119.914 0.019 0.000 2.515 380 V HA -0.201 3.919 4.120 0.000 0.000 0.250 380 V C 2.309 178.408 176.094 0.009 0.000 1.058 380 V CA 1.626 63.934 62.300 0.014 0.000 1.064 380 V CB -0.766 31.064 31.823 0.012 0.000 0.675 380 V HN 0.446 nan 8.190 nan 0.000 0.461 381 A N -0.101 122.723 122.820 0.007 0.000 1.930 381 A HA -0.188 4.133 4.320 0.000 0.000 0.217 381 A C 2.379 179.965 177.584 0.003 0.000 1.175 381 A CA 1.498 53.536 52.037 0.001 0.000 0.627 381 A CB -0.435 18.564 19.000 -0.003 0.000 0.815 381 A HN 0.484 nan 8.150 nan 0.000 0.443 382 R N -0.702 119.802 120.500 0.008 0.000 2.148 382 R HA 0.019 4.359 4.340 0.000 0.000 0.223 382 R C 2.241 178.546 176.300 0.008 0.000 1.088 382 R CA 0.900 57.005 56.100 0.008 0.000 0.985 382 R CB -0.280 30.027 30.300 0.012 0.000 0.880 382 R HN 0.509 nan 8.270 nan 0.000 0.451 383 A N 0.258 123.084 122.820 0.009 0.000 2.067 383 A HA -0.025 4.295 4.320 0.000 0.000 0.217 383 A C 2.084 179.672 177.584 0.006 0.000 1.156 383 A CA 0.779 52.822 52.037 0.010 0.000 0.683 383 A CB 0.089 19.096 19.000 0.012 0.000 0.808 383 A HN 0.094 nan 8.150 nan 0.000 0.455 384 V N -0.111 119.805 119.914 0.004 0.000 2.725 384 V HA -0.112 4.008 4.120 0.000 0.000 0.247 384 V C 1.879 177.972 176.094 -0.002 0.000 1.058 384 V CA 1.623 63.923 62.300 0.000 0.000 1.080 384 V CB -0.424 31.397 31.823 -0.002 0.000 0.713 384 V HN 0.458 nan 8.190 nan 0.000 0.465 385 D N 0.398 120.797 120.400 -0.002 0.000 2.178 385 D HA -0.155 4.485 4.640 0.000 0.000 0.201 385 D C 1.683 177.982 176.300 -0.001 0.000 0.980 385 D CA 1.382 55.380 54.000 -0.003 0.000 0.842 385 D CB 0.024 40.822 40.800 -0.002 0.000 0.948 385 D HN 0.440 nan 8.370 nan 0.000 0.472 386 D N 0.288 120.689 120.400 0.001 0.000 2.137 386 D HA -0.014 4.626 4.640 0.000 0.000 0.202 386 D C 2.030 178.331 176.300 0.002 0.000 0.970 386 D CA 1.053 55.055 54.000 0.003 0.000 0.837 386 D CB -0.255 40.548 40.800 0.005 0.000 0.981 386 D HN 0.079 nan 8.370 nan 0.000 0.475 387 A N 0.365 123.187 122.820 0.003 0.000 1.933 387 A HA -0.116 4.204 4.320 0.000 0.000 0.218 387 A C 2.350 179.934 177.584 -0.001 0.000 1.175 387 A CA 1.024 53.062 52.037 0.002 0.000 0.628 387 A CB -0.664 18.338 19.000 0.002 0.000 0.814 387 A HN 0.148 nan 8.150 nan 0.000 0.444 388 V N -0.254 119.658 119.914 -0.003 0.000 2.453 388 V HA -0.127 3.993 4.120 0.000 0.000 0.247 388 V C 2.767 178.858 176.094 -0.005 0.000 1.048 388 V CA 1.726 64.023 62.300 -0.006 0.000 1.049 388 V CB -1.198 30.620 31.823 -0.009 0.000 0.672 388 V HN 0.608 nan 8.190 nan 0.000 0.457 389 G N 0.646 109.444 108.800 -0.003 0.000 2.421 389 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 389 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 389 G C 1.709 176.608 174.900 -0.001 0.000 1.171 389 G CA 1.575 46.673 45.100 -0.002 0.000 0.775 389 G HN 0.559 nan 8.290 nan 0.000 0.543 390 V N -1.249 118.666 119.914 0.000 0.000 2.548 390 V HA -0.036 4.085 4.120 0.000 0.000 0.249 390 V C 2.678 178.772 176.094 0.001 0.000 1.055 390 V CA 1.369 63.670 62.300 0.001 0.000 1.065 390 V CB -0.598 31.227 31.823 0.004 0.000 0.681 390 V HN 0.135 nan 8.190 nan 0.000 0.462 391 V N 1.981 121.895 119.914 -0.001 0.000 2.427 391 V HA -0.027 4.093 4.120 0.000 0.000 0.248 391 V C 2.892 178.984 176.094 -0.003 0.000 1.051 391 V CA 2.112 64.411 62.300 -0.002 0.000 1.048 391 V CB -1.350 30.472 31.823 -0.003 0.000 0.666 391 V HN 0.621 nan 8.190 nan 0.000 0.456 392 G N -1.326 107.472 108.800 -0.004 0.000 2.408 392 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 392 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 392 G C 1.671 176.570 174.900 -0.003 0.000 1.150 392 G CA 1.246 46.344 45.100 -0.005 0.000 0.776 392 G HN 0.538 nan 8.290 nan 0.000 0.542 393 C N 0.548 119.847 119.300 -0.002 0.000 2.432 393 C HA 0.054 4.514 4.460 0.000 0.000 0.280 393 C C 3.138 178.127 174.990 -0.000 0.000 1.353 393 C CA 1.457 60.474 59.018 -0.001 0.000 1.766 393 C CB -0.742 26.998 27.740 0.000 0.000 1.924 393 C HN 0.430 nan 8.230 nan 0.000 0.509 394 T N 0.869 115.423 114.554 0.000 0.000 2.978 394 T HA 0.077 4.428 4.350 0.000 0.000 0.262 394 T C 1.637 176.337 174.700 0.000 0.000 1.063 394 T CA 0.817 62.918 62.100 0.001 0.000 1.140 394 T CB -0.122 68.747 68.868 0.001 0.000 0.886 394 T HN 0.445 nan 8.240 nan 0.000 0.470 395 I N 1.180 121.749 120.570 -0.001 0.000 2.226 395 I HA -0.151 4.019 4.170 0.000 0.000 0.245 395 I C 2.595 178.712 176.117 -0.000 0.000 1.100 395 I CA 1.404 62.703 61.300 -0.001 0.000 1.374 395 I CB -0.265 37.733 38.000 -0.002 0.000 1.057 395 I HN 0.310 nan 8.210 nan 0.000 0.413 396 E N 0.596 120.795 120.200 -0.001 0.000 2.028 396 E HA -0.183 4.167 4.350 0.000 0.000 0.190 396 E C 1.724 178.324 176.600 -0.000 0.000 0.984 396 E CA 1.263 57.662 56.400 -0.001 0.000 0.800 396 E CB -0.045 29.655 29.700 -0.001 0.000 0.758 396 E HN 0.441 nan 8.360 nan 0.000 0.448 397 D N -0.670 119.730 120.400 -0.000 0.000 2.091 397 D HA -0.047 4.593 4.640 0.000 0.000 0.199 397 D C 1.419 177.720 176.300 0.000 0.000 0.980 397 D CA 1.429 55.429 54.000 0.000 0.000 0.831 397 D CB -0.220 40.580 40.800 0.000 0.000 0.987 397 D HN 0.356 nan 8.370 nan 0.000 0.460 398 G N 0.657 109.458 108.800 0.001 0.000 2.143 398 G HA2 -0.318 3.643 3.960 0.000 0.000 0.248 398 G HA3 -0.318 3.643 3.960 0.000 0.000 0.248 398 G C 0.258 175.159 174.900 0.001 0.000 0.991 398 G CA 0.153 45.254 45.100 0.001 0.000 0.689 398 G HN 0.319 nan 8.290 nan 0.000 0.522 399 R N -0.170 120.330 120.500 0.001 0.000 2.561 399 R HA 0.728 5.068 4.340 0.000 0.000 0.297 399 R C 0.308 176.610 176.300 0.002 0.000 0.969 399 R CA -0.633 55.467 56.100 0.001 0.000 0.879 399 R CB 1.634 31.934 30.300 0.000 0.000 1.178 399 R HN 0.535 nan 8.270 nan 0.000 0.445 400 I N -0.534 120.038 120.570 0.003 0.000 3.002 400 I HA 0.795 4.966 4.170 0.000 0.000 0.310 400 I C -0.537 175.584 176.117 0.007 0.000 1.087 400 I CA -1.193 60.110 61.300 0.005 0.000 1.017 400 I CB 2.228 40.231 38.000 0.006 0.000 1.226 400 I HN 0.379 nan 8.210 nan 0.000 0.443 401 V N 0.276 120.195 119.914 0.009 0.000 3.074 401 V HA 0.731 4.851 4.120 0.000 0.000 0.314 401 V C 0.139 176.243 176.094 0.016 0.000 1.117 401 V CA -0.521 61.787 62.300 0.013 0.000 1.014 401 V CB 1.244 33.076 31.823 0.014 0.000 1.057 401 V HN 1.001 nan 8.190 nan 0.000 0.438 402 S N 1.055 116.768 115.700 0.022 0.000 2.584 402 S HA 0.769 5.239 4.470 0.000 0.000 0.273 402 S C 0.393 175.010 174.600 0.029 0.000 1.311 402 S CA 0.105 58.320 58.200 0.026 0.000 1.034 402 S CB 1.020 64.239 63.200 0.031 0.000 0.939 402 S HN 1.712 nan 8.310 nan 0.000 0.513 403 G N -0.020 108.797 108.800 0.028 0.000 2.641 403 G HA2 0.562 4.522 3.960 0.000 0.000 0.239 403 G HA3 0.562 4.522 3.960 0.000 0.000 0.239 403 G C 0.812 175.727 174.900 0.025 0.000 1.402 403 G CA -0.636 44.478 45.100 0.024 0.000 1.046 403 G HN 2.023 nan 8.290 nan 0.000 0.565 404 G N -1.939 106.870 108.800 0.014 0.000 2.221 404 G HA2 0.259 4.220 3.960 0.000 0.000 0.265 404 G HA3 0.259 4.220 3.960 0.000 0.000 0.265 404 G C 1.402 176.300 174.900 -0.003 0.000 1.041 404 G CA 1.072 46.174 45.100 0.004 0.000 0.807 404 G HN 2.472 nan 8.290 nan 0.000 0.502 405 G N -1.454 107.342 108.800 -0.007 0.000 2.153 405 G HA2 -0.127 3.833 3.960 0.000 0.000 0.252 405 G HA3 -0.127 3.833 3.960 0.000 0.000 0.252 405 G C 1.368 176.260 174.900 -0.014 0.000 0.994 405 G CA 1.661 46.749 45.100 -0.020 0.000 0.698 405 G HN 1.843 nan 8.290 nan 0.000 0.521 406 S N -0.402 115.312 115.700 0.024 0.000 2.357 406 S HA -0.065 4.406 4.470 0.000 0.000 0.221 406 S C 2.653 177.308 174.600 0.091 0.000 1.031 406 S CA 2.363 60.612 58.200 0.083 0.000 0.982 406 S CB -0.334 62.932 63.200 0.110 0.000 0.853 406 S HN 1.243 nan 8.310 nan 0.000 0.458 407 T N -1.150 113.440 114.554 0.060 0.000 3.160 407 T HA 0.177 4.527 4.350 0.000 0.000 0.257 407 T C 1.230 175.941 174.700 0.017 0.000 1.147 407 T CA 0.765 62.897 62.100 0.054 0.000 1.064 407 T CB -0.191 68.700 68.868 0.038 0.000 0.949 407 T HN 0.306 nan 8.240 nan 0.000 0.526 408 E N 0.859 121.050 120.200 -0.014 0.000 2.086 408 E HA 0.102 4.452 4.350 0.000 0.000 0.190 408 E C 2.265 178.822 176.600 -0.072 0.000 0.975 408 E CA 0.404 56.782 56.400 -0.038 0.000 0.813 408 E CB -0.330 29.340 29.700 -0.050 0.000 0.768 408 E HN 0.303 nan 8.360 nan 0.000 0.457 409 V N 1.058 120.887 119.914 -0.142 0.000 2.295 409 V HA -0.249 3.871 4.120 0.000 0.000 0.246 409 V C 2.318 178.266 176.094 -0.244 0.000 1.049 409 V CA 2.056 64.195 62.300 -0.268 0.000 1.024 409 V CB -0.392 31.120 31.823 -0.519 0.000 0.648 409 V HN 0.235 nan 8.190 nan 0.000 0.447 410 E N 0.334 120.443 120.200 -0.152 0.000 2.051 410 E HA -0.246 4.104 4.350 0.000 0.000 0.192 410 E C 1.954 178.586 176.600 0.054 0.000 0.991 410 E CA 1.508 57.972 56.400 0.108 0.000 0.799 410 E CB -0.442 29.415 29.700 0.262 0.000 0.748 410 E HN 0.395 nan 8.360 nan 0.000 0.449 411 L N 0.093 121.332 121.223 0.027 0.000 2.141 411 L HA -0.064 4.276 4.340 0.000 0.000 0.209 411 L C 2.373 179.260 176.870 0.029 0.000 1.094 411 L CA 1.879 56.735 54.840 0.026 0.000 0.763 411 L CB -0.868 41.206 42.059 0.025 0.000 0.908 411 L HN 0.192 nan 8.230 nan 0.000 0.437 412 S N -0.477 115.227 115.700 0.006 0.000 2.345 412 S HA -0.234 4.236 4.470 0.000 0.000 0.220 412 S C 2.123 176.739 174.600 0.027 0.000 1.031 412 S CA 1.656 59.863 58.200 0.012 0.000 0.996 412 S CB -0.305 62.879 63.200 -0.028 0.000 0.882 412 S HN 0.623 nan 8.310 nan 0.000 0.445 413 M N -0.193 119.415 119.600 0.013 0.000 2.296 413 M HA 0.098 4.578 4.480 0.000 0.000 0.265 413 M C 1.663 177.995 176.300 0.054 0.000 1.064 413 M CA 1.381 56.700 55.300 0.031 0.000 1.109 413 M CB -0.213 32.405 32.600 0.030 0.000 1.396 413 M HN -0.004 nan 8.290 nan 0.000 0.430 414 K N 1.125 121.558 120.400 0.055 0.000 2.228 414 K HA 0.130 4.450 4.320 0.000 0.000 0.202 414 K C 1.977 178.627 176.600 0.085 0.000 1.051 414 K CA 0.974 57.297 56.287 0.060 0.000 0.960 414 K CB -0.236 32.287 32.500 0.038 0.000 0.743 414 K HN 0.490 nan 8.250 nan 0.000 0.458 415 L N 0.227 121.502 121.223 0.086 0.000 2.240 415 L HA -0.046 4.294 4.340 0.000 0.000 0.211 415 L C 2.467 179.446 176.870 0.181 0.000 1.106 415 L CA 0.721 55.645 54.840 0.140 0.000 0.793 415 L CB -0.131 42.002 42.059 0.124 0.000 0.927 415 L HN 0.092 nan 8.230 nan 0.000 0.446 416 R N 0.254 120.825 120.500 0.118 0.000 2.115 416 R HA -0.132 4.208 4.340 0.000 0.000 0.226 416 R C 1.967 178.314 176.300 0.079 0.000 1.100 416 R CA 1.365 57.519 56.100 0.090 0.000 0.980 416 R CB 0.025 30.362 30.300 0.061 0.000 0.875 416 R HN 0.536 nan 8.270 nan 0.000 0.445 417 E N -0.794 119.461 120.200 0.091 0.000 2.442 417 E HA -0.157 4.193 4.350 0.000 0.000 0.195 417 E C 1.388 178.048 176.600 0.100 0.000 1.030 417 E CA 0.428 56.873 56.400 0.075 0.000 0.869 417 E CB -0.189 29.551 29.700 0.066 0.000 0.857 417 E HN 0.373 nan 8.360 nan 0.000 0.505 418 Y N 1.706 122.011 120.300 0.008 0.000 2.395 418 Y HA 0.208 4.758 4.550 0.000 0.000 0.293 418 Y C 2.316 178.218 175.900 0.002 0.000 1.123 418 Y CA 0.880 58.980 58.100 0.001 0.000 1.227 418 Y CB -0.127 38.330 38.460 -0.006 0.000 1.012 418 Y HN 0.113 nan 8.280 nan 0.000 0.552 419 A N 0.454 123.236 122.820 -0.064 0.000 1.968 419 A HA -0.130 4.191 4.320 0.000 0.000 0.217 419 A C 1.990 179.492 177.584 -0.136 0.000 1.169 419 A CA 1.557 53.511 52.037 -0.139 0.000 0.638 419 A CB -0.569 18.433 19.000 0.004 0.000 0.812 419 A HN 0.611 nan 8.150 nan 0.000 0.446 420 E N -0.487 119.667 120.200 -0.077 0.000 2.265 420 E HA -0.104 4.246 4.350 0.000 0.000 0.196 420 E C 1.551 178.098 176.600 -0.088 0.000 0.996 420 E CA 0.650 57.015 56.400 -0.059 0.000 0.832 420 E CB -0.233 29.453 29.700 -0.024 0.000 0.756 420 E HN 0.583 nan 8.360 nan 0.000 0.491 421 G N 0.791 109.507 108.800 -0.141 0.000 3.383 421 G HA2 0.206 4.166 3.960 0.000 0.000 0.251 421 G HA3 0.206 4.166 3.960 0.000 0.000 0.251 421 G C 0.222 175.003 174.900 -0.198 0.000 1.203 421 G CA -0.228 44.785 45.100 -0.146 0.000 0.852 421 G HN 0.012 nan 8.290 nan 0.000 0.531 422 I N 1.668 122.118 120.570 -0.199 0.000 2.447 422 I HA 0.250 4.420 4.170 0.000 0.000 0.287 422 I C -0.146 175.911 176.117 -0.101 0.000 1.023 422 I CA -0.738 60.454 61.300 -0.180 0.000 1.083 422 I CB 2.232 40.093 38.000 -0.233 0.000 1.245 422 I HN 0.068 nan 8.210 nan 0.000 0.434 423 S N 4.242 119.898 115.700 -0.073 0.000 2.578 423 S HA 0.949 5.419 4.470 0.000 0.000 0.283 423 S C 0.139 174.716 174.600 -0.038 0.000 1.195 423 S CA -0.161 58.010 58.200 -0.047 0.000 1.050 423 S CB 1.884 65.062 63.200 -0.038 0.000 1.012 423 S HN 1.222 nan 8.310 nan 0.000 0.511 424 G N 1.349 110.132 108.800 -0.027 0.000 2.462 424 G HA2 -0.099 3.861 3.960 0.000 0.000 0.685 424 G HA3 -0.099 3.861 3.960 0.000 0.000 0.685 424 G C -0.126 174.766 174.900 -0.013 0.000 1.295 424 G CA -0.526 44.562 45.100 -0.020 0.000 0.941 424 G HN 0.703 nan 8.290 nan 0.000 0.554 425 R N 0.302 120.798 120.500 -0.007 0.000 2.275 425 R HA 0.105 4.445 4.340 0.000 0.000 0.199 425 R C 2.489 178.794 176.300 0.008 0.000 0.989 425 R CA 1.389 57.490 56.100 0.002 0.000 1.016 425 R CB -0.136 30.167 30.300 0.006 0.000 0.918 425 R HN 0.752 nan 8.270 nan 0.000 0.473 426 E N 0.212 120.414 120.200 0.003 0.000 2.265 426 E HA -0.297 4.054 4.350 0.000 0.000 0.196 426 E C 1.687 178.302 176.600 0.025 0.000 0.996 426 E CA 0.878 57.287 56.400 0.015 0.000 0.832 426 E CB -0.217 29.488 29.700 0.007 0.000 0.756 426 E HN 0.367 nan 8.360 nan 0.000 0.491 427 Q N 1.313 121.115 119.800 0.003 0.000 2.135 427 Q HA -0.173 4.168 4.340 0.000 0.000 0.204 427 Q C 2.187 178.208 176.000 0.035 0.000 0.981 427 Q CA 1.294 57.096 55.803 -0.001 0.000 0.856 427 Q CB -0.104 28.621 28.738 -0.022 0.000 0.902 427 Q HN 0.449 nan 8.270 nan 0.000 0.425 428 L N -0.084 121.164 121.223 0.042 0.000 2.275 428 L HA -0.075 4.266 4.340 0.000 0.000 0.215 428 L C 2.396 179.332 176.870 0.110 0.000 1.119 428 L CA 0.710 55.586 54.840 0.061 0.000 0.790 428 L CB -0.391 41.694 42.059 0.042 0.000 0.919 428 L HN 0.257 nan 8.230 nan 0.000 0.443 429 A N -0.560 122.339 122.820 0.130 0.000 1.975 429 A HA -0.019 4.302 4.320 0.000 0.000 0.215 429 A C 2.262 180.075 177.584 0.381 0.000 1.170 429 A CA 0.731 52.917 52.037 0.247 0.000 0.656 429 A CB -0.356 18.735 19.000 0.152 0.000 0.821 429 A HN 0.147 nan 8.150 nan 0.000 0.449 430 V N 0.306 120.357 119.914 0.229 0.000 2.358 430 V HA -0.232 3.888 4.120 0.000 0.000 0.246 430 V C 2.551 178.764 176.094 0.199 0.000 1.047 430 V CA 2.072 64.489 62.300 0.196 0.000 1.035 430 V CB -0.837 31.061 31.823 0.124 0.000 0.658 430 V HN 0.510 nan 8.190 nan 0.000 0.452 431 R N 0.401 120.990 120.500 0.149 0.000 2.096 431 R HA -0.093 4.247 4.340 0.000 0.000 0.235 431 R C 2.419 178.802 176.300 0.139 0.000 1.127 431 R CA 1.401 57.574 56.100 0.122 0.000 0.968 431 R CB -0.564 29.785 30.300 0.081 0.000 0.861 431 R HN 0.536 nan 8.270 nan 0.000 0.440 432 A N 0.639 123.572 122.820 0.189 0.000 1.898 432 A HA -0.166 4.154 4.320 0.000 0.000 0.216 432 A C 1.949 179.617 177.584 0.139 0.000 1.181 432 A CA 0.956 53.108 52.037 0.192 0.000 0.620 432 A CB -0.564 18.617 19.000 0.302 0.000 0.819 432 A HN 0.337 nan 8.150 nan 0.000 0.442 433 F N 0.703 120.645 119.950 -0.013 0.000 2.146 433 F HA -0.050 4.478 4.527 0.000 0.000 0.298 433 F C 2.560 178.292 175.800 -0.113 0.000 1.096 433 F CA 1.222 59.088 58.000 -0.223 0.000 1.275 433 F CB -0.155 38.680 39.000 -0.274 0.000 1.008 433 F HN 0.262 nan 8.300 nan 0.000 0.480 434 A N -0.098 122.858 122.820 0.228 0.000 1.902 434 A HA -0.207 4.114 4.320 0.000 0.000 0.217 434 A C 1.845 179.442 177.584 0.022 0.000 1.181 434 A CA 2.042 54.160 52.037 0.135 0.000 0.623 434 A CB -0.935 18.141 19.000 0.126 0.000 0.818 434 A HN 0.404 nan 8.150 nan 0.000 0.443 435 D N -0.084 120.324 120.400 0.013 0.000 2.264 435 D HA 0.058 4.698 4.640 0.000 0.000 0.208 435 D C 2.036 178.297 176.300 -0.065 0.000 0.966 435 D CA 1.158 55.147 54.000 -0.017 0.000 0.864 435 D CB -0.266 40.536 40.800 0.004 0.000 0.933 435 D HN 0.444 nan 8.370 nan 0.000 0.499 436 A N 0.381 123.127 122.820 -0.123 0.000 1.968 436 A HA -0.044 4.276 4.320 0.000 0.000 0.217 436 A C 2.233 179.699 177.584 -0.198 0.000 1.169 436 A CA 0.533 52.457 52.037 -0.188 0.000 0.638 436 A CB -0.568 18.239 19.000 -0.322 0.000 0.812 436 A HN 0.200 nan 8.150 nan 0.000 0.446 437 L N -0.500 120.603 121.223 -0.200 0.000 2.201 437 L HA -0.142 4.198 4.340 0.000 0.000 0.212 437 L C 1.951 178.760 176.870 -0.102 0.000 1.105 437 L CA 1.015 55.763 54.840 -0.153 0.000 0.775 437 L CB -0.435 41.564 42.059 -0.100 0.000 0.913 437 L HN 0.441 nan 8.230 nan 0.000 0.440 438 E N -0.560 119.587 120.200 -0.087 0.000 2.533 438 E HA -0.136 4.214 4.350 0.000 0.000 0.201 438 E C 1.885 178.443 176.600 -0.071 0.000 1.097 438 E CA 0.085 56.440 56.400 -0.074 0.000 0.887 438 E CB 0.166 29.828 29.700 -0.063 0.000 0.855 438 E HN 0.265 nan 8.360 nan 0.000 0.540 439 V N 0.594 120.461 119.914 -0.079 0.000 2.951 439 V HA -0.140 3.980 4.120 0.000 0.000 0.255 439 V C 1.577 177.633 176.094 -0.064 0.000 1.088 439 V CA 0.737 62.994 62.300 -0.070 0.000 1.109 439 V CB -0.058 31.718 31.823 -0.079 0.000 0.724 439 V HN 0.260 nan 8.190 nan 0.000 0.471 440 I N 1.107 121.638 120.570 -0.066 0.000 2.277 440 I HA 0.012 4.182 4.170 0.000 0.000 0.243 440 I C 0.035 176.120 176.117 -0.053 0.000 1.094 440 I CA 1.200 62.466 61.300 -0.056 0.000 1.393 440 I CB -2.680 35.288 38.000 -0.053 0.000 1.078 440 I HN 0.337 nan 8.210 nan 0.000 0.417 441 P HA -0.120 nan 4.420 nan 0.000 0.217 441 P C 1.869 179.138 177.300 -0.051 0.000 1.150 441 P CA 1.430 64.498 63.100 -0.053 0.000 0.832 441 P CB -0.077 31.585 31.700 -0.063 0.000 0.787 442 R N -0.242 120.227 120.500 -0.051 0.000 2.062 442 R HA -0.076 4.264 4.340 0.000 0.000 0.229 442 R C 2.132 178.404 176.300 -0.046 0.000 1.128 442 R CA 2.118 58.190 56.100 -0.046 0.000 0.960 442 R CB -0.887 29.386 30.300 -0.045 0.000 0.855 442 R HN 0.217 nan 8.270 nan 0.000 0.432 443 T N -1.320 113.206 114.554 -0.047 0.000 3.035 443 T HA -0.011 4.339 4.350 0.000 0.000 0.268 443 T C 1.844 176.514 174.700 -0.050 0.000 1.109 443 T CA 0.636 62.709 62.100 -0.046 0.000 1.119 443 T CB -0.116 68.725 68.868 -0.044 0.000 0.900 443 T HN 0.160 nan 8.240 nan 0.000 0.503 444 L N 0.340 121.531 121.223 -0.054 0.000 2.109 444 L HA 0.162 4.503 4.340 0.000 0.000 0.207 444 L C 3.225 180.051 176.870 -0.073 0.000 1.086 444 L CA 1.061 55.861 54.840 -0.066 0.000 0.760 444 L CB -0.593 41.426 42.059 -0.066 0.000 0.910 444 L HN 0.392 nan 8.230 nan 0.000 0.437 445 A N -0.106 122.677 122.820 -0.061 0.000 1.897 445 A HA -0.161 4.159 4.320 0.000 0.000 0.215 445 A C 2.112 179.665 177.584 -0.052 0.000 1.181 445 A CA 1.115 53.117 52.037 -0.057 0.000 0.620 445 A CB -0.312 18.660 19.000 -0.046 0.000 0.821 445 A HN 0.375 nan 8.150 nan 0.000 0.443 446 E N 0.338 120.511 120.200 -0.045 0.000 2.049 446 E HA -0.209 4.141 4.350 0.000 0.000 0.198 446 E C 1.584 178.159 176.600 -0.042 0.000 1.007 446 E CA 1.411 57.787 56.400 -0.039 0.000 0.809 446 E CB -0.239 29.440 29.700 -0.036 0.000 0.749 446 E HN 0.532 nan 8.360 nan 0.000 0.450 447 N N 0.323 118.994 118.700 -0.048 0.000 2.396 447 N HA -0.071 4.669 4.740 0.000 0.000 0.180 447 N C 1.480 176.955 175.510 -0.058 0.000 1.028 447 N CA 0.986 54.007 53.050 -0.048 0.000 0.893 447 N CB -0.090 38.367 38.487 -0.049 0.000 0.967 447 N HN 0.123 nan 8.380 nan 0.000 0.440 448 A N -0.011 122.766 122.820 -0.073 0.000 2.067 448 A HA 0.303 4.623 4.320 0.000 0.000 0.217 448 A C 1.773 179.322 177.584 -0.059 0.000 1.156 448 A CA 1.514 53.498 52.037 -0.088 0.000 0.683 448 A CB -0.291 18.640 19.000 -0.115 0.000 0.808 448 A HN 0.347 nan 8.150 nan 0.000 0.455 449 G N -2.261 106.511 108.800 -0.046 0.000 2.232 449 G HA2 -0.175 3.785 3.960 0.000 0.000 0.226 449 G HA3 -0.175 3.785 3.960 0.000 0.000 0.226 449 G C 0.154 175.036 174.900 -0.030 0.000 0.996 449 G CA 0.162 45.242 45.100 -0.033 0.000 0.626 449 G HN 0.382 nan 8.290 nan 0.000 0.509 450 L N 1.268 122.469 121.223 -0.036 0.000 2.475 450 L HA 0.500 4.840 4.340 0.000 0.000 0.250 450 L C 0.734 177.588 176.870 -0.027 0.000 1.224 450 L CA -0.054 54.767 54.840 -0.030 0.000 0.821 450 L CB 0.335 42.373 42.059 -0.035 0.000 1.141 450 L HN 0.154 nan 8.230 nan 0.000 0.494 451 D N 0.001 120.388 120.400 -0.022 0.000 2.338 451 D HA 0.255 4.895 4.640 0.000 0.000 0.255 451 D C 0.599 176.886 176.300 -0.022 0.000 1.237 451 D CA 0.277 54.266 54.000 -0.019 0.000 0.883 451 D CB 1.452 42.244 40.800 -0.015 0.000 1.087 451 D HN 0.557 nan 8.370 nan 0.000 0.485 452 A N 4.306 127.112 122.820 -0.025 0.000 1.969 452 A HA -0.107 4.213 4.320 0.000 0.000 0.218 452 A C 2.119 179.687 177.584 -0.025 0.000 1.169 452 A CA 0.879 52.899 52.037 -0.028 0.000 0.635 452 A CB -0.387 18.595 19.000 -0.030 0.000 0.810 452 A HN 0.739 nan 8.150 nan 0.000 0.445 453 I N -0.896 119.661 120.570 -0.021 0.000 2.286 453 I HA -0.150 4.020 4.170 0.000 0.000 0.245 453 I C 2.431 178.538 176.117 -0.016 0.000 1.104 453 I CA 1.593 62.882 61.300 -0.018 0.000 1.397 453 I CB -0.373 37.618 38.000 -0.015 0.000 1.072 453 I HN 0.330 nan 8.210 nan 0.000 0.417 454 E N 1.942 122.134 120.200 -0.014 0.000 2.047 454 E HA -0.164 4.186 4.350 0.000 0.000 0.191 454 E C 2.124 178.717 176.600 -0.010 0.000 0.987 454 E CA 1.520 57.914 56.400 -0.010 0.000 0.799 454 E CB -0.217 29.478 29.700 -0.009 0.000 0.752 454 E HN 0.433 nan 8.360 nan 0.000 0.449 455 I N 0.016 120.578 120.570 -0.014 0.000 2.226 455 I HA -0.212 3.958 4.170 0.000 0.000 0.245 455 I C 2.159 178.266 176.117 -0.016 0.000 1.100 455 I CA 0.574 61.865 61.300 -0.014 0.000 1.374 455 I CB -0.204 37.784 38.000 -0.020 0.000 1.057 455 I HN 0.213 nan 8.210 nan 0.000 0.413 456 L N 0.234 121.442 121.223 -0.024 0.000 2.349 456 L HA -0.153 4.187 4.340 0.000 0.000 0.220 456 L C 2.075 178.929 176.870 -0.027 0.000 1.130 456 L CA 1.528 56.348 54.840 -0.032 0.000 0.791 456 L CB -0.262 41.776 42.059 -0.035 0.000 0.918 456 L HN -0.004 nan 8.230 nan 0.000 0.444 457 V N -1.467 118.438 119.914 -0.015 0.000 2.599 457 V HA -0.118 4.002 4.120 0.000 0.000 0.245 457 V C 2.326 178.421 176.094 0.002 0.000 1.046 457 V CA 1.066 63.362 62.300 -0.008 0.000 1.065 457 V CB -0.320 31.500 31.823 -0.004 0.000 0.703 457 V HN 0.370 nan 8.190 nan 0.000 0.464 458 K N -0.136 120.267 120.400 0.005 0.000 2.155 458 K HA -0.054 4.266 4.320 0.000 0.000 0.203 458 K C 1.978 178.597 176.600 0.033 0.000 1.052 458 K CA 1.018 57.315 56.287 0.017 0.000 0.948 458 K CB -0.089 32.420 32.500 0.014 0.000 0.728 458 K HN 0.317 nan 8.250 nan 0.000 0.448 459 V N 0.889 120.817 119.914 0.023 0.000 2.649 459 V HA -0.106 4.014 4.120 0.000 0.000 0.248 459 V C 2.257 178.376 176.094 0.042 0.000 1.054 459 V CA 1.183 63.512 62.300 0.048 0.000 1.073 459 V CB -0.325 31.496 31.823 -0.004 0.000 0.699 459 V HN 0.245 nan 8.190 nan 0.000 0.463 460 R N 0.240 120.731 120.500 -0.015 0.000 2.090 460 R HA -0.057 4.283 4.340 0.000 0.000 0.228 460 R C 2.180 178.507 176.300 0.046 0.000 1.110 460 R CA 1.402 57.485 56.100 -0.027 0.000 0.973 460 R CB -0.256 30.024 30.300 -0.033 0.000 0.869 460 R HN 0.489 nan 8.270 nan 0.000 0.440 461 A N -0.043 122.805 122.820 0.047 0.000 2.067 461 A HA 0.100 4.420 4.320 0.000 0.000 0.217 461 A C 1.850 179.476 177.584 0.069 0.000 1.156 461 A CA 1.096 53.163 52.037 0.050 0.000 0.683 461 A CB -0.062 18.957 19.000 0.031 0.000 0.808 461 A HN 0.404 nan 8.150 nan 0.000 0.455 462 A N -2.181 120.698 122.820 0.099 0.000 2.307 462 A HA 0.160 4.481 4.320 0.000 0.000 0.218 462 A C 1.508 179.150 177.584 0.097 0.000 1.228 462 A CA 0.355 52.445 52.037 0.088 0.000 0.857 462 A CB -0.564 18.487 19.000 0.084 0.000 0.897 462 A HN 0.653 nan 8.150 nan 0.000 0.495 463 H N -1.191 117.882 119.070 0.005 0.000 2.855 463 H HA 0.335 4.891 4.556 0.000 0.000 0.259 463 H C 1.128 176.460 175.328 0.007 0.000 0.972 463 H CA 0.464 56.515 56.048 0.005 0.000 1.213 463 H CB 0.509 30.274 29.762 0.006 0.000 1.451 463 H HN 0.508 nan 8.280 nan 0.000 0.484 464 A N 1.497 124.387 122.820 0.117 0.000 2.445 464 A HA 0.325 4.645 4.320 0.000 0.000 0.242 464 A C 1.203 178.809 177.584 0.037 0.000 1.075 464 A CA 0.779 52.857 52.037 0.068 0.000 0.777 464 A CB 0.267 19.299 19.000 0.052 0.000 1.013 464 A HN 0.676 nan 8.150 nan 0.000 0.493 465 S N 1.685 117.403 115.700 0.030 0.000 4.158 465 S HA -0.270 4.200 4.470 0.000 0.000 0.613 465 S C 0.933 175.539 174.600 0.010 0.000 1.866 465 S CA 1.294 59.504 58.200 0.017 0.000 4.250 465 S CB -1.631 61.576 63.200 0.012 0.000 0.202 465 S HN 0.883 nan 8.310 nan 0.000 0.455 466 N N 2.581 121.280 118.700 -0.002 0.000 3.039 466 N HA 0.393 5.133 4.740 0.000 0.000 0.231 466 N C 0.975 176.463 175.510 -0.037 0.000 1.053 466 N CA 0.837 53.879 53.050 -0.013 0.000 1.191 466 N CB -0.963 37.516 38.487 -0.013 0.000 1.597 466 N HN 0.991 nan 8.380 nan 0.000 0.585 467 G N 0.659 109.431 108.800 -0.046 0.000 2.606 467 G HA2 0.134 4.094 3.960 0.000 0.000 0.252 467 G HA3 0.134 4.094 3.960 0.000 0.000 0.252 467 G C 0.527 175.350 174.900 -0.128 0.000 1.206 467 G CA -0.155 44.896 45.100 -0.082 0.000 0.861 467 G HN 0.184 nan 8.290 nan 0.000 0.561 468 N N -0.240 118.314 118.700 -0.244 0.000 2.436 468 N HA -0.004 4.736 4.740 0.000 0.000 0.178 468 N C 1.639 176.989 175.510 -0.267 0.000 1.026 468 N CA 0.779 53.698 53.050 -0.218 0.000 0.880 468 N CB 0.056 38.434 38.487 -0.182 0.000 1.061 468 N HN 0.814 nan 8.380 nan 0.000 0.434 469 K N -0.861 119.216 120.400 -0.539 0.000 3.459 469 K HA -0.198 4.122 4.320 0.000 0.000 0.291 469 K C 0.233 176.738 176.600 -0.159 0.000 0.863 469 K CA 1.298 57.385 56.287 -0.333 0.000 1.269 469 K CB -1.718 30.718 32.500 -0.108 0.000 1.300 469 K HN 0.301 nan 8.250 nan 0.000 0.507 470 c N 2.093 120.603 118.600 -0.149 0.000 2.881 470 c HA 0.680 5.250 4.570 0.000 0.000 0.290 470 c C 0.668 174.752 174.090 -0.011 0.000 1.362 470 c CA 0.281 56.587 56.329 -0.038 0.000 1.757 470 c CB -0.847 41.646 42.510 -0.028 0.000 2.265 470 c HN 0.449 nan 8.230 nan 0.000 0.600 471 A N 0.503 123.300 122.820 -0.038 0.000 2.274 471 A HA 0.761 5.082 4.320 0.000 0.000 0.309 471 A C 0.353 178.057 177.584 0.201 0.000 1.226 471 A CA 0.413 52.483 52.037 0.054 0.000 0.853 471 A CB 0.323 19.320 19.000 -0.004 0.000 1.146 471 A HN 0.755 nan 8.150 nan 0.000 0.518 472 G N 0.309 109.175 108.800 0.110 0.000 2.663 472 G HA2 0.525 4.485 3.960 0.000 0.000 0.299 472 G HA3 0.525 4.485 3.960 0.000 0.000 0.299 472 G C -1.513 173.413 174.900 0.043 0.000 1.372 472 G CA -0.724 44.426 45.100 0.085 0.000 0.781 472 G HN 1.043 nan 8.290 nan 0.000 0.491 473 L N 0.951 122.184 121.223 0.016 0.000 2.319 473 L HA 0.541 4.881 4.340 0.000 0.000 0.280 473 L C -0.232 176.631 176.870 -0.012 0.000 1.099 473 L CA -0.890 53.948 54.840 -0.004 0.000 0.828 473 L CB 0.842 42.886 42.059 -0.027 0.000 1.150 473 L HN 0.433 nan 8.230 nan 0.000 0.442 474 N N 3.475 122.174 118.700 -0.002 0.000 2.485 474 N HA 0.135 4.875 4.740 0.000 0.000 0.243 474 N C 0.891 176.364 175.510 -0.063 0.000 0.987 474 N CA -0.155 52.898 53.050 0.005 0.000 0.940 474 N CB 1.224 39.753 38.487 0.070 0.000 1.122 474 N HN 0.550 nan 8.380 nan 0.000 0.509 475 V N 1.704 121.484 119.914 -0.223 0.000 2.867 475 V HA -0.060 4.060 4.120 0.000 0.000 0.260 475 V C 1.141 177.001 176.094 -0.390 0.000 1.099 475 V CA 1.325 63.409 62.300 -0.361 0.000 1.122 475 V CB -1.085 30.420 31.823 -0.530 0.000 0.708 475 V HN 0.372 nan 8.190 nan 0.000 0.490 476 F N 1.170 121.121 119.950 0.001 0.000 2.317 476 F HA 0.128 4.656 4.527 0.000 0.000 0.290 476 F C 2.599 178.400 175.800 0.001 0.000 1.075 476 F CA 1.365 59.365 58.000 0.001 0.000 1.380 476 F CB -1.195 37.806 39.000 0.001 0.000 1.093 476 F HN 0.021 nan 8.300 nan 0.000 0.524 477 T N -0.995 113.661 114.554 0.170 0.000 2.812 477 T HA 0.179 4.529 4.350 0.000 0.000 0.264 477 T C 2.088 176.818 174.700 0.050 0.000 1.042 477 T CA 1.576 63.734 62.100 0.096 0.000 1.140 477 T CB -0.716 68.198 68.868 0.078 0.000 0.870 477 T HN 0.503 nan 8.240 nan 0.000 0.445 478 G N 1.284 110.098 108.800 0.024 0.000 2.399 478 G HA2 -0.091 3.869 3.960 0.000 0.000 0.216 478 G HA3 -0.091 3.869 3.960 0.000 0.000 0.216 478 G C 0.354 175.256 174.900 0.003 0.000 1.096 478 G CA 0.043 45.144 45.100 0.002 0.000 0.650 478 G HN 0.929 nan 8.290 nan 0.000 0.512 479 A N 0.005 122.833 122.820 0.014 0.000 2.252 479 A HA 0.794 5.114 4.320 0.000 0.000 0.305 479 A C 0.559 178.153 177.584 0.017 0.000 1.097 479 A CA 0.451 52.496 52.037 0.014 0.000 0.849 479 A CB 1.400 20.410 19.000 0.016 0.000 1.142 479 A HN 1.710 nan 8.150 nan 0.000 0.499 480 V N 0.562 120.488 119.914 0.019 0.000 2.455 480 V HA 0.360 4.481 4.120 0.000 0.000 0.273 480 V C 0.051 176.162 176.094 0.029 0.000 1.045 480 V CA 0.296 62.612 62.300 0.027 0.000 0.976 480 V CB 0.197 32.041 31.823 0.034 0.000 0.993 480 V HN 0.946 nan 8.190 nan 0.000 0.475 481 E N 3.976 124.196 120.200 0.033 0.000 2.339 481 E HA 0.349 4.699 4.350 0.000 0.000 0.262 481 E C -1.121 175.495 176.600 0.028 0.000 0.934 481 E CA -0.879 55.539 56.400 0.030 0.000 0.802 481 E CB 1.536 31.257 29.700 0.036 0.000 1.275 481 E HN 0.792 nan 8.360 nan 0.000 0.427 482 D N 2.413 122.824 120.400 0.018 0.000 2.336 482 D HA 0.054 4.694 4.640 0.000 0.000 0.249 482 D C 0.841 177.152 176.300 0.019 0.000 1.213 482 D CA -0.028 53.978 54.000 0.010 0.000 0.870 482 D CB 0.799 41.599 40.800 -0.001 0.000 1.076 482 D HN 0.416 nan 8.370 nan 0.000 0.483 483 M N 2.486 122.100 119.600 0.024 0.000 2.319 483 M HA -0.103 4.378 4.480 0.000 0.000 0.265 483 M C 2.138 178.452 176.300 0.024 0.000 1.068 483 M CA 0.455 55.773 55.300 0.031 0.000 1.118 483 M CB -0.537 32.086 32.600 0.038 0.000 1.395 483 M HN 0.511 nan 8.290 nan 0.000 0.435 484 c N 0.666 119.274 118.600 0.014 0.000 2.466 484 c HA -0.101 4.469 4.570 0.000 0.000 0.278 484 c C 2.475 176.571 174.090 0.009 0.000 1.288 484 c CA 0.724 57.059 56.329 0.010 0.000 1.722 484 c CB -0.909 41.602 42.510 0.003 0.000 2.017 484 c HN 0.562 nan 8.230 nan 0.000 0.488 485 E N 0.911 121.116 120.200 0.008 0.000 2.274 485 E HA -0.108 4.242 4.350 0.000 0.000 0.194 485 E C 1.534 178.141 176.600 0.011 0.000 0.996 485 E CA 0.638 57.042 56.400 0.007 0.000 0.840 485 E CB -0.119 29.584 29.700 0.005 0.000 0.772 485 E HN 0.587 nan 8.360 nan 0.000 0.491 486 N N -0.195 118.516 118.700 0.018 0.000 2.300 486 N HA -0.025 4.715 4.740 0.000 0.000 0.179 486 N C 1.053 176.576 175.510 0.021 0.000 1.016 486 N CA 1.256 54.321 53.050 0.024 0.000 0.876 486 N CB 0.576 39.087 38.487 0.040 0.000 0.979 486 N HN 0.262 nan 8.380 nan 0.000 0.432 487 G N -0.926 107.886 108.800 0.021 0.000 2.151 487 G HA2 -0.184 3.776 3.960 0.000 0.000 0.156 487 G HA3 -0.184 3.776 3.960 0.000 0.000 0.156 487 G C -0.668 174.247 174.900 0.025 0.000 1.017 487 G CA -0.140 44.971 45.100 0.018 0.000 0.686 487 G HN 0.125 nan 8.290 nan 0.000 0.503 488 V N 1.398 121.331 119.914 0.032 0.000 2.294 488 V HA 0.657 4.777 4.120 0.000 0.000 0.272 488 V C 0.499 176.611 176.094 0.029 0.000 1.027 488 V CA -0.213 62.109 62.300 0.038 0.000 0.823 488 V CB 1.090 32.943 31.823 0.050 0.000 1.030 488 V HN 1.096 nan 8.190 nan 0.000 0.457 489 V N 1.891 121.819 119.914 0.024 0.000 2.888 489 V HA 0.794 4.915 4.120 0.000 0.000 0.309 489 V C -0.857 175.247 176.094 0.016 0.000 1.114 489 V CA -0.855 61.456 62.300 0.018 0.000 0.940 489 V CB 2.234 34.065 31.823 0.014 0.000 1.021 489 V HN 0.700 nan 8.190 nan 0.000 0.426 490 E N 3.221 123.429 120.200 0.013 0.000 2.312 490 E HA 0.633 4.984 4.350 0.000 0.000 0.267 490 E C -2.952 173.653 176.600 0.008 0.000 0.894 490 E CA -2.162 54.244 56.400 0.011 0.000 0.773 490 E CB 2.745 32.451 29.700 0.010 0.000 1.241 490 E HN 0.572 nan 8.360 nan 0.000 0.432 491 P HA -0.047 nan 4.420 nan 0.000 0.269 491 P C 0.309 177.612 177.300 0.004 0.000 1.209 491 P CA -0.260 62.843 63.100 0.005 0.000 0.776 491 P CB 0.556 32.258 31.700 0.003 0.000 0.876 492 L N 3.362 124.587 121.223 0.004 0.000 2.127 492 L HA -0.122 4.219 4.340 0.000 0.000 0.211 492 L C 2.176 179.048 176.870 0.003 0.000 1.089 492 L CA 1.790 56.633 54.840 0.004 0.000 0.757 492 L CB -0.778 41.283 42.059 0.002 0.000 0.899 492 L HN 0.303 nan 8.230 nan 0.000 0.434 493 R N -1.272 119.229 120.500 0.003 0.000 2.189 493 R HA -0.086 4.254 4.340 0.000 0.000 0.223 493 R C 1.948 178.249 176.300 0.003 0.000 1.092 493 R CA 1.178 57.279 56.100 0.002 0.000 0.989 493 R CB -0.057 30.244 30.300 0.002 0.000 0.876 493 R HN 0.370 nan 8.270 nan 0.000 0.457 494 V N 1.047 120.962 119.914 0.003 0.000 2.358 494 V HA -0.215 3.905 4.120 0.000 0.000 0.246 494 V C 2.145 178.239 176.094 0.001 0.000 1.047 494 V CA 1.616 63.917 62.300 0.002 0.000 1.035 494 V CB -0.238 31.586 31.823 0.002 0.000 0.658 494 V HN 0.237 nan 8.190 nan 0.000 0.452 495 K N 0.454 120.856 120.400 0.002 0.000 2.098 495 K HA -0.032 4.288 4.320 0.000 0.000 0.203 495 K C 2.358 178.962 176.600 0.007 0.000 1.051 495 K CA 1.690 57.978 56.287 0.003 0.000 0.957 495 K CB -1.043 31.460 32.500 0.005 0.000 0.738 495 K HN 0.672 nan 8.250 nan 0.000 0.447 496 T N -0.418 114.141 114.554 0.008 0.000 2.821 496 T HA -0.182 4.168 4.350 0.000 0.000 0.267 496 T C 2.112 176.820 174.700 0.013 0.000 1.046 496 T CA 1.314 63.420 62.100 0.010 0.000 1.139 496 T CB -0.071 68.800 68.868 0.005 0.000 0.871 496 T HN 0.039 nan 8.240 nan 0.000 0.454 497 Q N 1.810 121.615 119.800 0.009 0.000 2.046 497 Q HA 0.207 4.547 4.340 0.000 0.000 0.200 497 Q C 2.505 178.511 176.000 0.010 0.000 0.975 497 Q CA 1.820 57.629 55.803 0.010 0.000 0.836 497 Q CB -1.007 27.735 28.738 0.006 0.000 0.896 497 Q HN 0.633 nan 8.270 nan 0.000 0.428 498 A N 0.163 122.986 122.820 0.005 0.000 1.940 498 A HA -0.167 4.154 4.320 0.000 0.000 0.219 498 A C 2.111 179.696 177.584 0.002 0.000 1.176 498 A CA 1.645 53.681 52.037 -0.002 0.000 0.631 498 A CB -0.715 18.279 19.000 -0.010 0.000 0.814 498 A HN 0.501 nan 8.150 nan 0.000 0.446 499 I N -1.535 119.045 120.570 0.017 0.000 2.333 499 I HA -0.182 3.989 4.170 0.000 0.000 0.246 499 I C 2.718 178.882 176.117 0.079 0.000 1.106 499 I CA 1.416 62.743 61.300 0.046 0.000 1.411 499 I CB -0.194 37.855 38.000 0.082 0.000 1.082 499 I HN 0.356 nan 8.210 nan 0.000 0.420 500 Q N 1.163 120.998 119.800 0.057 0.000 2.050 500 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 500 Q C 2.365 178.396 176.000 0.051 0.000 0.980 500 Q CA 2.553 58.389 55.803 0.055 0.000 0.840 500 Q CB -0.248 28.509 28.738 0.032 0.000 0.898 500 Q HN 0.536 nan 8.270 nan 0.000 0.424 501 S N -0.738 114.983 115.700 0.035 0.000 2.402 501 S HA -0.010 4.460 4.470 0.000 0.000 0.229 501 S C 2.039 176.658 174.600 0.032 0.000 1.021 501 S CA 0.845 59.063 58.200 0.030 0.000 0.974 501 S CB -0.481 62.731 63.200 0.019 0.000 0.800 501 S HN 0.430 nan 8.310 nan 0.000 0.484 502 A N 1.738 124.572 122.820 0.024 0.000 1.968 502 A HA 0.450 4.770 4.320 0.000 0.000 0.217 502 A C 2.457 180.068 177.584 0.045 0.000 1.169 502 A CA 1.394 53.436 52.037 0.009 0.000 0.638 502 A CB -1.230 17.746 19.000 -0.041 0.000 0.812 502 A HN 0.820 nan 8.150 nan 0.000 0.446 503 A N -0.292 122.586 122.820 0.096 0.000 1.930 503 A HA -0.056 4.264 4.320 0.000 0.000 0.215 503 A C 1.897 179.576 177.584 0.158 0.000 1.176 503 A CA 1.387 53.537 52.037 0.187 0.000 0.632 503 A CB -0.346 18.817 19.000 0.270 0.000 0.819 503 A HN 0.589 nan 8.150 nan 0.000 0.445 504 E N 0.221 120.484 120.200 0.104 0.000 2.107 504 E HA -0.114 4.236 4.350 0.000 0.000 0.191 504 E C 2.353 178.999 176.600 0.077 0.000 0.982 504 E CA 1.252 57.702 56.400 0.084 0.000 0.809 504 E CB -0.079 29.656 29.700 0.058 0.000 0.756 504 E HN 0.783 nan 8.360 nan 0.000 0.459 505 S N 0.494 116.235 115.700 0.068 0.000 2.377 505 S HA -0.126 4.344 4.470 0.000 0.000 0.223 505 S C 2.294 176.936 174.600 0.070 0.000 1.030 505 S CA 1.393 59.627 58.200 0.057 0.000 0.970 505 S CB -0.658 62.566 63.200 0.040 0.000 0.830 505 S HN 0.311 nan 8.310 nan 0.000 0.473 506 T N -0.043 114.566 114.554 0.092 0.000 2.995 506 T HA 0.116 4.466 4.350 0.000 0.000 0.269 506 T C 1.527 176.313 174.700 0.144 0.000 1.091 506 T CA 0.938 63.108 62.100 0.116 0.000 1.128 506 T CB -0.522 68.436 68.868 0.150 0.000 0.891 506 T HN 0.523 nan 8.240 nan 0.000 0.492 507 E N 0.508 120.805 120.200 0.162 0.000 2.204 507 E HA -0.015 4.335 4.350 0.000 0.000 0.194 507 E C 2.017 178.664 176.600 0.079 0.000 0.989 507 E CA 1.078 57.560 56.400 0.137 0.000 0.824 507 E CB -0.217 29.570 29.700 0.145 0.000 0.756 507 E HN 0.623 nan 8.360 nan 0.000 0.477 508 M N 0.207 119.850 119.600 0.070 0.000 2.248 508 M HA -0.044 4.436 4.480 0.000 0.000 0.265 508 M C 1.853 178.180 176.300 0.045 0.000 1.079 508 M CA 1.035 56.367 55.300 0.052 0.000 1.150 508 M CB 0.193 32.822 32.600 0.048 0.000 1.366 508 M HN 0.059 nan 8.290 nan 0.000 0.433 509 L N 0.756 122.007 121.223 0.047 0.000 2.042 509 L HA -0.219 4.121 4.340 0.000 0.000 0.210 509 L C 2.368 179.256 176.870 0.029 0.000 1.076 509 L CA 1.263 56.127 54.840 0.039 0.000 0.749 509 L CB -0.741 41.340 42.059 0.036 0.000 0.893 509 L HN 0.387 nan 8.230 nan 0.000 0.432 510 L N -0.719 120.519 121.223 0.025 0.000 2.191 510 L HA -0.188 4.153 4.340 0.000 0.000 0.212 510 L C 2.561 179.431 176.870 0.001 0.000 1.103 510 L CA 1.032 55.871 54.840 -0.001 0.000 0.769 510 L CB -0.418 41.623 42.059 -0.029 0.000 0.908 510 L HN 0.213 nan 8.230 nan 0.000 0.438 511 R N -0.244 120.267 120.500 0.018 0.000 2.276 511 R HA 0.112 4.452 4.340 0.000 0.000 0.203 511 R C 0.450 176.763 176.300 0.022 0.000 1.017 511 R CA 0.187 56.301 56.100 0.024 0.000 1.010 511 R CB -0.063 30.256 30.300 0.033 0.000 0.900 511 R HN 0.284 nan 8.270 nan 0.000 0.469 512 I N 2.211 122.795 120.570 0.023 0.000 2.441 512 I HA -0.053 4.117 4.170 0.000 0.000 0.287 512 I C 0.901 177.030 176.117 0.020 0.000 1.049 512 I CA 0.188 61.504 61.300 0.027 0.000 1.381 512 I CB 0.947 38.970 38.000 0.039 0.000 1.409 512 I HN 0.118 nan 8.210 nan 0.000 0.523 513 D N 3.637 124.049 120.400 0.021 0.000 2.502 513 D HA 0.066 4.706 4.640 0.000 0.000 0.232 513 D C -0.055 176.263 176.300 0.029 0.000 1.137 513 D CA 0.046 54.054 54.000 0.013 0.000 0.827 513 D CB 0.684 41.482 40.800 -0.004 0.000 1.141 513 D HN 0.408 nan 8.370 nan 0.000 0.517 514 D N 0.444 120.866 120.400 0.037 0.000 2.934 514 D HA 0.379 5.019 4.640 0.000 0.000 0.230 514 D C -1.269 175.062 176.300 0.051 0.000 1.204 514 D CA -0.476 53.548 54.000 0.040 0.000 0.873 514 D CB 3.058 43.870 40.800 0.019 0.000 1.645 514 D HN -0.196 nan 8.370 nan 0.000 0.502 515 V N 3.922 123.874 119.914 0.064 0.000 2.656 515 V HA 0.540 4.660 4.120 0.000 0.000 0.307 515 V C 0.053 176.134 176.094 -0.022 0.000 1.051 515 V CA -0.708 61.629 62.300 0.062 0.000 0.893 515 V CB 2.044 33.972 31.823 0.175 0.000 0.999 515 V HN 0.459 nan 8.190 nan 0.000 0.426 516 I N 3.697 124.250 120.570 -0.029 0.000 2.466 516 I HA 0.648 4.818 4.170 0.000 0.000 0.279 516 I C 0.142 176.222 176.117 -0.062 0.000 1.033 516 I CA -0.403 60.857 61.300 -0.068 0.000 1.123 516 I CB 1.552 39.525 38.000 -0.045 0.000 1.237 516 I HN 0.698 nan 8.210 nan 0.000 0.460 517 A N 5.048 127.810 122.820 -0.097 0.000 2.288 517 A HA 0.894 5.215 4.320 0.000 0.000 0.320 517 A C 0.040 177.582 177.584 -0.069 0.000 1.217 517 A CA -0.331 51.664 52.037 -0.070 0.000 0.840 517 A CB 0.975 19.939 19.000 -0.060 0.000 1.179 517 A HN 0.721 nan 8.150 nan 0.000 0.504 518 A N 1.743 124.535 122.820 -0.046 0.000 2.247 518 A HA 0.785 5.105 4.320 0.000 0.000 0.313 518 A C 0.467 178.033 177.584 -0.031 0.000 1.109 518 A CA 0.171 52.184 52.037 -0.039 0.000 0.890 518 A CB 0.131 19.114 19.000 -0.029 0.000 1.239 518 A HN 1.236 nan 8.150 nan 0.000 0.506 519 E N 0.000 120.185 120.200 -0.026 0.000 2.725 519 E HA 0.000 4.350 4.350 0.000 0.000 0.291 519 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 519 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440