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 2gk1_1_H DATA FIRST_RESID 54 DATA SEQUENCE PALWPLPLSV KMTPNLLHLA PENFYISHSP NSTAGPScTL LEEAFRRYHG DATA SEQUENCE YIFGXXXXXX XXXXXXXXTQ VQQLLVSITL QSEcDAFPNI SSDESYTLLV DATA SEQUENCE KEPVAVLKAN RVWGALRGLE TFSQLVYQDS YGTFTINEST IIDSPRFSHR DATA SEQUENCE GILIDTSRHY LPVKIILKTL DAMAFNKFNV LHWHIVDDQS FPYQSITFPE DATA SEQUENCE LSNKGSYSLS HVYTPNDVRM VIEYARLRGI RVLPEFDTPG HTLSWGKGQK DATA SEQUENCE DLLTPcYSXX XXXDSFGPIN PTLNTTYSFL TTFFKEISEV FPDQFIHLGG DATA SEQUENCE DEVEFKcWES NPKIQDFMRQ KGFGTDFKKL ESFYIQKVLD IIATINKGSI DATA SEQUENCE VWQEVFDDKA KLAPGTIVEV WKDSAYPEEL SRVTASGFPV ILSAPWYLDL DATA SEQUENCE ISYGQDWRKY YKVEPLDFGG TQKQKQLFIG GEACLWGEYV DATNLTPRLW DATA SEQUENCE PRASAVGERL WSSKDVRDMD DAYDRLTRHR cRMVERGIAA QPLYAGYcN 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 54 P HA 0.000 nan 4.420 nan 0.000 0.216 54 P C 0.000 177.280 177.300 -0.034 0.000 1.155 54 P CA 0.000 63.072 63.100 -0.047 0.000 0.800 54 P CB 0.000 31.688 31.700 -0.020 0.000 0.726 55 A N 1.271 124.068 122.820 -0.039 0.000 2.532 55 A HA 0.422 4.742 4.320 -0.000 0.000 0.273 55 A C 0.582 178.180 177.584 0.022 0.000 1.342 55 A CA -0.369 51.660 52.037 -0.014 0.000 0.929 55 A CB -0.610 18.362 19.000 -0.046 0.000 1.051 55 A HN 0.459 nan 8.150 nan 0.000 0.521 56 L N 0.780 122.009 121.223 0.011 0.000 2.513 56 L HA 0.099 4.439 4.340 -0.000 0.000 0.272 56 L C -0.100 176.779 176.870 0.015 0.000 1.187 56 L CA 0.240 55.071 54.840 -0.014 0.000 0.895 56 L CB 0.310 42.350 42.059 -0.030 0.000 1.147 56 L HN 0.516 nan 8.230 nan 0.000 0.483 57 W N 6.585 127.692 121.300 -0.322 0.000 3.132 57 W HA 0.347 5.007 4.660 -0.000 0.000 0.337 57 W C -2.724 173.536 176.519 -0.432 0.000 1.082 57 W CA -1.961 55.136 57.345 -0.413 0.000 1.242 57 W CB 2.399 31.434 29.460 -0.709 0.000 1.354 57 W HN 0.231 nan 8.180 nan 0.000 0.461 58 P HA 0.085 nan 4.420 nan 0.000 0.275 58 P C -0.296 176.768 177.300 -0.394 0.000 1.227 58 P CA -0.405 62.286 63.100 -0.681 0.000 0.781 58 P CB 0.909 32.306 31.700 -0.505 0.000 0.906 59 L N 5.860 126.871 121.223 -0.354 0.000 2.584 59 L HA 0.187 4.527 4.340 -0.000 0.000 0.272 59 L C -2.262 174.588 176.870 -0.033 0.000 1.195 59 L CA -1.218 53.532 54.840 -0.149 0.000 0.920 59 L CB -0.779 41.206 42.059 -0.122 0.000 1.173 59 L HN 0.301 nan 8.230 nan 0.000 0.489 60 P HA -0.049 nan 4.420 nan 0.000 0.270 60 P C 0.557 177.895 177.300 0.064 0.000 1.227 60 P CA -0.315 62.855 63.100 0.116 0.000 0.788 60 P CB 0.511 32.264 31.700 0.089 0.000 0.926 61 L N 0.952 122.207 121.223 0.053 0.000 2.042 61 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 61 L C 0.681 177.537 176.870 -0.024 0.000 1.076 61 L CA 2.087 56.918 54.840 -0.015 0.000 0.749 61 L CB -0.462 41.559 42.059 -0.064 0.000 0.893 61 L HN 0.283 nan 8.230 nan 0.000 0.432 62 S N -0.835 114.849 115.700 -0.027 0.000 2.733 62 S HA 0.636 5.106 4.470 -0.000 0.000 0.294 62 S C -1.221 173.372 174.600 -0.011 0.000 1.149 62 S CA -0.717 57.469 58.200 -0.024 0.000 1.034 62 S CB 1.002 64.180 63.200 -0.037 0.000 1.015 62 S HN -0.012 nan 8.310 nan 0.000 0.486 63 V N 6.059 125.972 119.914 -0.002 0.000 2.444 63 V HA 0.528 4.648 4.120 -0.000 0.000 0.294 63 V C -0.285 175.813 176.094 0.007 0.000 1.022 63 V CA -0.758 61.546 62.300 0.008 0.000 0.850 63 V CB 1.751 33.580 31.823 0.010 0.000 0.992 63 V HN 0.756 nan 8.190 nan 0.000 0.426 64 K N 6.354 126.760 120.400 0.011 0.000 2.423 64 K HA 0.458 4.778 4.320 -0.000 0.000 0.234 64 K C -0.357 176.251 176.600 0.014 0.000 1.051 64 K CA -0.516 55.777 56.287 0.010 0.000 1.021 64 K CB 1.115 33.621 32.500 0.010 0.000 1.474 64 K HN 0.725 nan 8.250 nan 0.000 0.474 65 M N 0.893 120.500 119.600 0.012 0.000 2.188 65 M HA 0.296 4.776 4.480 -0.000 0.000 0.357 65 M C -0.420 175.887 176.300 0.012 0.000 1.204 65 M CA -0.040 55.268 55.300 0.013 0.000 1.095 65 M CB 0.450 33.057 32.600 0.011 0.000 1.604 65 M HN 0.221 nan 8.290 nan 0.000 0.464 66 T N 1.193 115.754 114.554 0.012 0.000 2.861 66 T HA 0.576 4.926 4.350 -0.000 0.000 0.287 66 T C -2.381 172.326 174.700 0.012 0.000 1.003 66 T CA -1.436 60.671 62.100 0.011 0.000 0.977 66 T CB 1.572 70.446 68.868 0.010 0.000 0.996 66 T HN 0.463 nan 8.240 nan 0.000 0.448 67 P HA -0.050 nan 4.420 nan 0.000 0.226 67 P C 0.249 177.558 177.300 0.015 0.000 1.146 67 P CA 0.586 63.696 63.100 0.017 0.000 0.773 67 P CB -0.112 31.598 31.700 0.016 0.000 0.772 68 N N 0.268 118.972 118.700 0.006 0.000 2.452 68 N HA 0.053 4.793 4.740 -0.000 0.000 0.266 68 N C -0.341 175.150 175.510 -0.032 0.000 1.209 68 N CA 0.268 53.314 53.050 -0.007 0.000 0.929 68 N CB -0.088 38.395 38.487 -0.007 0.000 1.063 68 N HN -0.071 nan 8.380 nan 0.000 0.472 69 L N 3.313 124.503 121.223 -0.056 0.000 2.399 69 L HA 0.481 4.821 4.340 -0.000 0.000 0.266 69 L C 0.055 176.761 176.870 -0.274 0.000 1.114 69 L CA -0.686 54.067 54.840 -0.144 0.000 0.804 69 L CB 0.697 42.684 42.059 -0.121 0.000 1.146 69 L HN 0.409 nan 8.230 nan 0.000 0.451 70 L N 0.563 121.536 121.223 -0.416 0.000 2.359 70 L HA 0.520 4.860 4.340 -0.000 0.000 0.256 70 L C -1.297 175.191 176.870 -0.638 0.000 1.026 70 L CA -0.687 53.890 54.840 -0.439 0.000 0.828 70 L CB 2.614 44.565 42.059 -0.181 0.000 1.406 70 L HN 0.559 nan 8.230 nan 0.000 0.413 71 H N 0.375 119.436 119.070 -0.016 0.000 2.806 71 H HA 0.629 5.185 4.556 -0.000 0.000 0.367 71 H C -1.342 173.997 175.328 0.019 0.000 1.136 71 H CA -0.693 55.352 56.048 -0.005 0.000 1.178 71 H CB 2.093 31.866 29.762 0.019 0.000 1.718 71 H HN 0.166 nan 8.280 nan 0.000 0.540 72 L N 1.432 122.747 121.223 0.154 0.000 2.334 72 L HA 0.729 5.069 4.340 -0.000 0.000 0.270 72 L C -0.118 176.831 176.870 0.131 0.000 1.018 72 L CA -0.577 54.321 54.840 0.097 0.000 0.811 72 L CB 1.577 43.603 42.059 -0.054 0.000 1.271 72 L HN 0.813 nan 8.230 nan 0.000 0.443 73 A N 2.588 125.449 122.820 0.069 0.000 2.285 73 A HA 0.682 5.002 4.320 -0.000 0.000 0.310 73 A C -2.018 175.399 177.584 -0.278 0.000 1.266 73 A CA -1.398 50.607 52.037 -0.054 0.000 0.832 73 A CB 0.528 19.515 19.000 -0.022 0.000 1.163 73 A HN 0.552 nan 8.150 nan 0.000 0.499 74 P HA -0.266 nan 4.420 nan 0.000 0.209 74 P C 0.509 177.516 177.300 -0.490 0.000 1.080 74 P CA 1.510 63.911 63.100 -1.166 0.000 0.971 74 P CB 0.149 31.378 31.700 -0.784 0.000 0.768 75 E N -1.139 118.893 120.200 -0.280 0.000 2.424 75 E HA 0.003 4.353 4.350 -0.000 0.000 0.237 75 E C 0.717 177.214 176.600 -0.172 0.000 1.381 75 E CA 0.045 56.348 56.400 -0.162 0.000 1.587 75 E CB -0.608 29.029 29.700 -0.104 0.000 1.398 75 E HN 0.217 nan 8.360 nan 0.000 0.439 76 N N -0.524 118.033 118.700 -0.238 0.000 2.026 76 N HA -0.036 4.704 4.740 -0.000 0.000 0.239 76 N C -0.427 174.750 175.510 -0.554 0.000 1.283 76 N CA -0.310 52.546 53.050 -0.323 0.000 0.816 76 N CB 0.236 38.643 38.487 -0.134 0.000 1.263 76 N HN 0.054 nan 8.380 nan 0.000 0.470 77 F N 1.801 121.508 119.950 -0.405 0.000 2.471 77 F HA 0.387 4.913 4.527 -0.000 0.000 0.353 77 F C -0.970 174.611 175.800 -0.364 0.000 1.113 77 F CA 0.101 57.956 58.000 -0.243 0.000 1.262 77 F CB 0.276 39.339 39.000 0.105 0.000 1.146 77 F HN -0.052 nan 8.300 nan 0.000 0.578 78 Y N 5.665 125.528 120.300 -0.728 0.000 2.442 78 Y HA 0.525 5.075 4.550 -0.000 0.000 0.344 78 Y C -0.551 174.846 175.900 -0.839 0.000 0.976 78 Y CA -1.429 56.327 58.100 -0.575 0.000 1.040 78 Y CB 1.524 39.766 38.460 -0.363 0.000 1.228 78 Y HN 0.333 nan 8.280 nan 0.000 0.451 79 I N 3.415 123.714 120.570 -0.451 0.000 2.428 79 I HA 0.473 4.643 4.170 -0.000 0.000 0.279 79 I C -0.394 175.055 176.117 -1.114 0.000 1.040 79 I CA -0.302 60.575 61.300 -0.704 0.000 1.171 79 I CB 0.600 38.288 38.000 -0.520 0.000 1.312 79 I HN 0.569 nan 8.210 nan 0.000 0.470 80 S N 2.509 117.715 115.700 -0.822 0.000 2.667 80 S HA 0.598 5.068 4.470 -0.000 0.000 0.292 80 S C -0.515 173.837 174.600 -0.413 0.000 1.126 80 S CA -0.983 56.828 58.200 -0.648 0.000 0.881 80 S CB 1.082 64.108 63.200 -0.290 0.000 1.132 80 S HN 0.502 nan 8.310 nan 0.000 0.492 81 H N 0.812 119.819 119.070 -0.106 0.000 2.790 81 H HA 0.442 4.998 4.556 -0.000 0.000 0.358 81 H C 0.572 175.864 175.328 -0.060 0.000 1.103 81 H CA 0.565 56.607 56.048 -0.011 0.000 1.426 81 H CB 0.420 30.206 29.762 0.040 0.000 1.424 81 H HN 0.603 nan 8.280 nan 0.000 0.599 82 S N 2.289 118.028 115.700 0.066 0.000 2.549 82 S HA 0.062 4.532 4.470 -0.000 0.000 0.279 82 S C -1.482 173.138 174.600 0.032 0.000 1.321 82 S CA -1.358 56.853 58.200 0.020 0.000 1.054 82 S CB 0.381 63.585 63.200 0.007 0.000 0.899 82 S HN 0.532 nan 8.310 nan 0.000 0.497 83 P HA -0.025 nan 4.420 nan 0.000 0.234 83 P C -0.026 177.271 177.300 -0.005 0.000 1.162 83 P CA 0.803 63.900 63.100 -0.005 0.000 0.759 83 P CB -0.428 31.263 31.700 -0.016 0.000 0.813 84 N N -2.982 115.720 118.700 0.003 0.000 2.365 84 N HA 0.111 4.851 4.740 -0.000 0.000 0.257 84 N C -0.174 175.341 175.510 0.008 0.000 1.287 84 N CA -0.480 52.571 53.050 0.001 0.000 0.882 84 N CB 0.250 38.737 38.487 -0.001 0.000 1.250 84 N HN -0.245 nan 8.380 nan 0.000 0.507 85 S N 0.064 115.776 115.700 0.020 0.000 2.586 85 S HA 0.129 4.599 4.470 -0.000 0.000 0.274 85 S C 1.351 175.957 174.600 0.011 0.000 1.281 85 S CA -0.385 57.834 58.200 0.032 0.000 1.035 85 S CB 0.865 64.117 63.200 0.087 0.000 0.962 85 S HN 0.374 nan 8.310 nan 0.000 0.512 86 T N 1.504 116.060 114.554 0.003 0.000 3.227 86 T HA 0.382 4.732 4.350 -0.000 0.000 0.257 86 T C 0.342 175.023 174.700 -0.031 0.000 1.162 86 T CA 0.257 62.347 62.100 -0.017 0.000 1.051 86 T CB -0.385 68.472 68.868 -0.019 0.000 0.953 86 T HN 0.741 nan 8.240 nan 0.000 0.535 87 A N -0.157 122.657 122.820 -0.010 0.000 2.393 87 A HA 0.848 5.168 4.320 -0.000 0.000 0.306 87 A C 0.293 177.758 177.584 -0.197 0.000 1.050 87 A CA -0.520 51.490 52.037 -0.045 0.000 0.724 87 A CB 1.619 20.649 19.000 0.050 0.000 1.248 87 A HN 0.444 nan 8.150 nan 0.000 0.424 88 G N 0.293 108.851 108.800 -0.404 0.000 2.971 88 G HA2 0.613 4.573 3.960 -0.000 0.000 0.235 88 G HA3 0.613 4.573 3.960 -0.000 0.000 0.235 88 G C -2.149 172.186 174.900 -0.941 0.000 1.351 88 G CA -1.329 43.380 45.100 -0.651 0.000 1.039 88 G HN 0.350 nan 8.290 nan 0.000 0.563 89 P HA -0.007 nan 4.420 nan 0.000 0.225 89 P C 1.334 178.566 177.300 -0.113 0.000 1.148 89 P CA 1.124 64.117 63.100 -0.178 0.000 0.779 89 P CB 0.125 31.782 31.700 -0.071 0.000 0.780 90 S N -1.499 114.112 115.700 -0.150 0.000 3.122 90 S HA 0.170 4.640 4.470 -0.000 0.000 0.249 90 S C 0.216 174.756 174.600 -0.098 0.000 1.334 90 S CA -0.596 57.544 58.200 -0.101 0.000 1.251 90 S CB -1.586 61.559 63.200 -0.092 0.000 1.034 90 S HN 0.170 nan 8.310 nan 0.000 0.478 91 c N 1.897 120.447 118.600 -0.084 0.000 3.078 91 c HA 0.448 5.018 4.570 -0.000 0.000 0.320 91 c C 1.464 175.506 174.090 -0.080 0.000 1.039 91 c CA -0.375 55.908 56.329 -0.077 0.000 1.386 91 c CB -0.437 42.039 42.510 -0.057 0.000 1.836 91 c HN 0.656 nan 8.230 nan 0.000 0.514 92 T N 3.165 117.668 114.554 -0.085 0.000 2.746 92 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 92 T C 1.851 176.477 174.700 -0.124 0.000 1.039 92 T CA 1.832 63.880 62.100 -0.087 0.000 1.142 92 T CB -0.165 68.662 68.868 -0.068 0.000 0.866 92 T HN 0.776 nan 8.240 nan 0.000 0.444 93 L N 0.425 121.566 121.223 -0.136 0.000 1.997 93 L HA -0.147 4.193 4.340 -0.000 0.000 0.216 93 L C 2.247 178.981 176.870 -0.228 0.000 1.074 93 L CA 1.659 56.409 54.840 -0.151 0.000 0.763 93 L CB -0.261 41.705 42.059 -0.154 0.000 0.890 93 L HN 0.293 nan 8.230 nan 0.000 0.434 94 L N -1.127 119.903 121.223 -0.322 0.000 2.179 94 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 94 L C 2.575 178.849 176.870 -0.993 0.000 1.096 94 L CA 0.488 54.943 54.840 -0.643 0.000 0.779 94 L CB -0.516 41.179 42.059 -0.607 0.000 0.922 94 L HN 0.250 nan 8.230 nan 0.000 0.443 95 E N 0.192 120.101 120.200 -0.485 0.000 2.150 95 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 95 E C 1.968 178.492 176.600 -0.127 0.000 0.985 95 E CA 0.815 57.080 56.400 -0.226 0.000 0.814 95 E CB 0.059 29.746 29.700 -0.021 0.000 0.752 95 E HN 0.454 nan 8.360 nan 0.000 0.466 96 E N 0.474 120.587 120.200 -0.146 0.000 2.158 96 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 96 E C 1.977 178.546 176.600 -0.050 0.000 0.982 96 E CA 0.660 57.011 56.400 -0.080 0.000 0.823 96 E CB 0.003 29.649 29.700 -0.090 0.000 0.766 96 E HN 0.156 nan 8.360 nan 0.000 0.468 97 A N 0.954 123.708 122.820 -0.110 0.000 1.902 97 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 97 A C 1.905 179.639 177.584 0.249 0.000 1.181 97 A CA 1.023 53.094 52.037 0.056 0.000 0.623 97 A CB -0.657 18.304 19.000 -0.065 0.000 0.818 97 A HN 0.107 nan 8.150 nan 0.000 0.443 98 F N -0.148 119.859 119.950 0.095 0.000 2.134 98 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 98 F C 2.418 178.301 175.800 0.139 0.000 1.097 98 F CA 1.293 59.347 58.000 0.090 0.000 1.264 98 F CB -0.925 38.080 39.000 0.007 0.000 1.001 98 F HN 0.255 nan 8.300 nan 0.000 0.479 99 R N 0.332 120.991 120.500 0.264 0.000 2.062 99 R HA -0.114 4.226 4.340 -0.000 0.000 0.229 99 R C 2.475 178.841 176.300 0.109 0.000 1.128 99 R CA 1.219 57.411 56.100 0.154 0.000 0.960 99 R CB -0.219 30.121 30.300 0.068 0.000 0.855 99 R HN 0.115 nan 8.270 nan 0.000 0.432 100 R N -0.719 119.802 120.500 0.035 0.000 2.080 100 R HA -0.201 4.139 4.340 -0.000 0.000 0.236 100 R C 1.965 178.109 176.300 -0.261 0.000 1.137 100 R CA 2.118 58.116 56.100 -0.170 0.000 0.943 100 R CB -0.444 29.747 30.300 -0.181 0.000 0.846 100 R HN 0.302 nan 8.270 nan 0.000 0.431 101 Y N -0.881 119.466 120.300 0.078 0.000 2.293 101 Y HA -0.192 4.358 4.550 -0.000 0.000 0.291 101 Y C 2.266 178.265 175.900 0.165 0.000 1.137 101 Y CA 1.850 60.079 58.100 0.215 0.000 1.202 101 Y CB -0.378 38.246 38.460 0.273 0.000 0.990 101 Y HN 0.354 nan 8.280 nan 0.000 0.537 102 H N -0.791 118.424 119.070 0.242 0.000 2.422 102 H HA -0.112 4.444 4.556 -0.000 0.000 0.298 102 H C 2.385 177.817 175.328 0.173 0.000 1.098 102 H CA 1.478 57.668 56.048 0.235 0.000 1.315 102 H CB -0.350 29.562 29.762 0.250 0.000 1.382 102 H HN 0.338 nan 8.280 nan 0.000 0.523 103 G N -1.063 107.813 108.800 0.127 0.000 2.408 103 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 103 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 103 G C 1.005 175.897 174.900 -0.013 0.000 1.150 103 G CA 0.728 45.829 45.100 0.001 0.000 0.776 103 G HN 0.367 nan 8.290 nan 0.000 0.542 104 Y N 0.698 121.016 120.300 0.031 0.000 2.153 104 Y HA 0.086 4.636 4.550 -0.000 0.000 0.289 104 Y C 2.775 178.628 175.900 -0.078 0.000 1.127 104 Y CA 0.081 58.164 58.100 -0.028 0.000 1.131 104 Y CB -0.765 37.670 38.460 -0.041 0.000 0.995 104 Y HN 0.095 nan 8.280 nan 0.000 0.505 105 I N -1.253 119.323 120.570 0.011 0.000 2.113 105 I HA -0.361 3.809 4.170 -0.000 0.000 0.242 105 I C 1.572 177.389 176.117 -0.500 0.000 1.064 105 I CA 1.700 62.789 61.300 -0.352 0.000 1.320 105 I CB -0.444 37.148 38.000 -0.680 0.000 1.028 105 I HN 0.024 nan 8.210 nan 0.000 0.406 106 F N -0.293 119.544 119.950 -0.188 0.000 2.350 106 F HA 0.516 5.043 4.527 -0.000 0.000 0.253 106 F C 1.316 177.145 175.800 0.049 0.000 1.088 106 F CA 0.770 58.636 58.000 -0.222 0.000 1.037 106 F CB -1.120 37.568 39.000 -0.519 0.000 1.107 106 F HN 0.107 nan 8.300 nan 0.000 0.603 123 Q N 1.436 121.276 119.800 0.067 0.000 2.274 123 Q HA 0.691 5.031 4.340 -0.000 0.000 0.260 123 Q C -1.193 174.862 176.000 0.091 0.000 0.974 123 Q CA -0.601 55.257 55.803 0.091 0.000 0.876 123 Q CB 1.964 30.762 28.738 0.099 0.000 1.297 123 Q HN 0.243 nan 8.270 nan 0.000 0.446 124 V N 4.534 124.520 119.914 0.120 0.000 2.347 124 V HA 0.150 4.270 4.120 -0.000 0.000 0.280 124 V C 0.141 176.440 176.094 0.341 0.000 1.021 124 V CA -0.168 62.250 62.300 0.197 0.000 0.847 124 V CB 1.355 33.293 31.823 0.191 0.000 0.990 124 V HN 0.925 nan 8.190 nan 0.000 0.444 125 Q N 2.749 122.721 119.800 0.286 0.000 2.378 125 Q HA 0.276 4.616 4.340 -0.000 0.000 0.216 125 Q C 0.431 176.449 176.000 0.029 0.000 0.892 125 Q CA 0.234 56.170 55.803 0.221 0.000 0.931 125 Q CB 1.230 30.032 28.738 0.106 0.000 1.086 125 Q HN 0.776 nan 8.270 nan 0.000 0.528 126 Q N 0.507 120.288 119.800 -0.031 0.000 2.386 126 Q HA 0.387 4.727 4.340 -0.000 0.000 0.274 126 Q C -2.156 173.686 176.000 -0.263 0.000 1.011 126 Q CA -0.533 55.041 55.803 -0.381 0.000 0.867 126 Q CB 1.864 30.500 28.738 -0.170 0.000 1.409 126 Q HN 0.111 nan 8.270 nan 0.000 0.395 127 L N 4.860 125.788 121.223 -0.492 0.000 2.313 127 L HA 0.460 4.800 4.340 -0.000 0.000 0.273 127 L C -1.497 175.172 176.870 -0.335 0.000 1.028 127 L CA -0.143 54.509 54.840 -0.314 0.000 0.871 127 L CB 0.858 42.672 42.059 -0.407 0.000 1.242 127 L HN 0.669 nan 8.230 nan 0.000 0.434 128 L N 5.038 126.132 121.223 -0.216 0.000 2.455 128 L HA 0.249 4.589 4.340 -0.000 0.000 0.272 128 L C -0.398 176.378 176.870 -0.157 0.000 1.174 128 L CA -0.297 54.435 54.840 -0.179 0.000 0.869 128 L CB 1.032 43.031 42.059 -0.099 0.000 1.130 128 L HN 0.308 nan 8.230 nan 0.000 0.474 129 V N 3.076 122.895 119.914 -0.158 0.000 2.293 129 V HA 0.145 4.265 4.120 -0.000 0.000 0.275 129 V C 0.265 176.349 176.094 -0.017 0.000 1.021 129 V CA -0.327 61.920 62.300 -0.088 0.000 0.815 129 V CB 1.166 32.958 31.823 -0.050 0.000 1.025 129 V HN 0.762 nan 8.190 nan 0.000 0.448 130 S N 6.459 122.158 115.700 -0.002 0.000 2.423 130 S HA 0.536 5.005 4.470 -0.000 0.000 0.317 130 S C -0.261 174.353 174.600 0.024 0.000 1.065 130 S CA -0.671 57.541 58.200 0.020 0.000 1.111 130 S CB 0.033 63.242 63.200 0.014 0.000 0.968 130 S HN 0.472 nan 8.310 nan 0.000 0.474 131 I N 5.733 126.321 120.570 0.030 0.000 2.352 131 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 131 I C 1.499 177.622 176.117 0.011 0.000 1.036 131 I CA -0.005 61.301 61.300 0.010 0.000 1.336 131 I CB 0.596 38.592 38.000 -0.007 0.000 1.407 131 I HN 0.610 nan 8.210 nan 0.000 0.497 132 T N 6.050 120.611 114.554 0.012 0.000 2.739 132 T HA 0.165 4.514 4.350 -0.000 0.000 0.246 132 T C 1.171 175.876 174.700 0.008 0.000 1.058 132 T CA 0.632 62.741 62.100 0.014 0.000 1.184 132 T CB 0.032 68.913 68.868 0.021 0.000 0.887 132 T HN 0.316 nan 8.240 nan 0.000 0.408 133 L N 0.789 122.017 121.223 0.009 0.000 2.567 133 L HA 0.349 4.689 4.340 -0.000 0.000 0.238 133 L C 0.727 177.594 176.870 -0.005 0.000 1.168 133 L CA -0.891 53.954 54.840 0.008 0.000 0.817 133 L CB 0.076 42.147 42.059 0.021 0.000 1.409 133 L HN 0.183 nan 8.230 nan 0.000 0.502 134 Q N 0.335 120.135 119.800 -0.001 0.000 2.275 134 Q HA -0.094 4.246 4.340 -0.000 0.000 0.293 134 Q C 1.257 177.235 176.000 -0.037 0.000 1.129 134 Q CA 0.345 56.141 55.803 -0.012 0.000 0.971 134 Q CB 0.644 29.384 28.738 0.004 0.000 1.098 134 Q HN 0.719 nan 8.270 nan 0.000 0.386 135 S N 3.388 119.048 115.700 -0.068 0.000 2.374 135 S HA -0.264 4.206 4.470 -0.000 0.000 0.227 135 S C 0.272 174.743 174.600 -0.214 0.000 1.037 135 S CA 1.517 59.635 58.200 -0.137 0.000 1.024 135 S CB -0.148 62.975 63.200 -0.129 0.000 0.861 135 S HN 0.898 nan 8.310 nan 0.000 0.456 136 E N -0.948 119.173 120.200 -0.132 0.000 2.513 136 E HA -0.217 4.133 4.350 -0.000 0.000 0.257 136 E C 0.844 177.315 176.600 -0.216 0.000 1.098 136 E CA 0.496 56.836 56.400 -0.100 0.000 0.752 136 E CB -2.589 27.123 29.700 0.020 0.000 1.324 136 E HN 0.686 nan 8.360 nan 0.000 0.403 137 c N 0.347 118.816 118.600 -0.218 0.000 2.410 137 c HA -0.148 4.422 4.570 -0.000 0.000 0.281 137 c C 1.421 175.408 174.090 -0.172 0.000 1.318 137 c CA 1.393 57.576 56.329 -0.242 0.000 1.776 137 c CB -0.261 42.145 42.510 -0.173 0.000 1.942 137 c HN 0.452 nan 8.230 nan 0.000 0.508 138 D N 0.215 120.548 120.400 -0.113 0.000 2.402 138 D HA 0.327 4.967 4.640 -0.000 0.000 0.216 138 D C 0.487 176.726 176.300 -0.101 0.000 1.128 138 D CA 0.444 54.381 54.000 -0.105 0.000 0.833 138 D CB 0.482 41.236 40.800 -0.078 0.000 0.971 138 D HN 0.598 nan 8.370 nan 0.000 0.503 139 A N 0.120 122.934 122.820 -0.011 0.000 2.281 139 A HA 0.609 4.929 4.320 -0.000 0.000 0.329 139 A C -0.557 177.093 177.584 0.109 0.000 1.122 139 A CA -0.451 51.636 52.037 0.082 0.000 0.850 139 A CB 0.803 19.928 19.000 0.208 0.000 1.207 139 A HN -0.065 nan 8.150 nan 0.000 0.495 140 F N 0.641 120.714 119.950 0.205 0.000 2.385 140 F HA 0.444 4.971 4.527 -0.000 0.000 0.336 140 F C -1.819 173.981 175.800 0.000 0.000 1.100 140 F CA -1.789 56.283 58.000 0.120 0.000 1.116 140 F CB 0.906 39.948 39.000 0.071 0.000 1.166 140 F HN 0.270 nan 8.300 nan 0.000 0.511 141 P HA 0.150 nan 4.420 nan 0.000 0.271 141 P C -1.129 176.090 177.300 -0.136 0.000 1.220 141 P CA -0.246 62.573 63.100 -0.468 0.000 0.768 141 P CB 0.501 31.756 31.700 -0.743 0.000 0.848 142 N N 2.268 120.914 118.700 -0.090 0.000 2.906 142 N HA 0.245 4.985 4.740 -0.000 0.000 0.327 142 N C 0.606 176.124 175.510 0.014 0.000 1.344 142 N CA -0.731 52.335 53.050 0.026 0.000 0.823 142 N CB -0.117 38.432 38.487 0.103 0.000 1.351 142 N HN 0.141 nan 8.380 nan 0.000 0.604 143 I N 0.112 120.743 120.570 0.102 0.000 2.142 143 I HA -0.130 4.040 4.170 -0.000 0.000 0.240 143 I C 1.353 177.508 176.117 0.063 0.000 1.078 143 I CA 1.776 63.123 61.300 0.080 0.000 1.343 143 I CB -0.666 37.396 38.000 0.103 0.000 1.046 143 I HN 0.688 nan 8.210 nan 0.000 0.405 144 S N 0.030 115.783 115.700 0.088 0.000 2.851 144 S HA 0.180 4.650 4.470 -0.000 0.000 0.227 144 S C 0.797 175.447 174.600 0.084 0.000 0.958 144 S CA -0.321 57.928 58.200 0.083 0.000 0.990 144 S CB -1.258 61.997 63.200 0.093 0.000 0.790 144 S HN 0.336 nan 8.310 nan 0.000 0.509 145 S N 2.533 118.267 115.700 0.056 0.000 2.564 145 S HA 0.190 4.660 4.470 -0.000 0.000 0.278 145 S C -0.137 174.543 174.600 0.132 0.000 1.333 145 S CA -0.343 57.904 58.200 0.079 0.000 1.048 145 S CB 0.568 63.678 63.200 -0.150 0.000 0.900 145 S HN 0.472 nan 8.310 nan 0.000 0.505 146 D N 1.456 122.002 120.400 0.244 0.000 2.359 146 D HA 0.224 4.864 4.640 -0.000 0.000 0.230 146 D C 0.191 176.673 176.300 0.303 0.000 1.118 146 D CA -0.214 53.913 54.000 0.212 0.000 0.844 146 D CB 0.699 41.603 40.800 0.174 0.000 1.059 146 D HN 0.544 nan 8.370 nan 0.000 0.493 147 E N 0.818 121.160 120.200 0.237 0.000 2.538 147 E HA 0.080 4.430 4.350 -0.000 0.000 0.207 147 E C 0.269 177.101 176.600 0.387 0.000 1.002 147 E CA -0.237 56.368 56.400 0.341 0.000 0.952 147 E CB 0.518 30.421 29.700 0.338 0.000 1.031 147 E HN 0.421 nan 8.360 nan 0.000 0.476 148 S N 0.629 116.475 115.700 0.243 0.000 2.585 148 S HA 0.344 4.814 4.470 -0.000 0.000 0.273 148 S C -0.288 174.506 174.600 0.324 0.000 1.339 148 S CA -0.573 57.753 58.200 0.211 0.000 1.028 148 S CB 0.356 63.579 63.200 0.040 0.000 0.906 148 S HN 0.274 nan 8.310 nan 0.000 0.528 149 Y N -2.073 118.295 120.300 0.114 0.000 2.725 149 Y HA 0.766 5.316 4.550 -0.000 0.000 0.333 149 Y C -0.982 174.963 175.900 0.075 0.000 1.242 149 Y CA -0.969 57.187 58.100 0.093 0.000 1.059 149 Y CB 0.788 39.314 38.460 0.110 0.000 1.306 149 Y HN 0.863 nan 8.280 nan 0.000 0.454 150 T N 0.684 115.345 114.554 0.179 0.000 2.916 150 T HA 0.666 5.016 4.350 -0.000 0.000 0.298 150 T C -1.889 172.928 174.700 0.194 0.000 1.031 150 T CA -0.535 61.617 62.100 0.086 0.000 0.993 150 T CB 1.885 70.776 68.868 0.037 0.000 1.045 150 T HN 0.989 nan 8.240 nan 0.000 0.454 151 L N 2.698 124.026 121.223 0.175 0.000 2.409 151 L HA 0.730 5.070 4.340 -0.000 0.000 0.272 151 L C -1.765 175.184 176.870 0.131 0.000 0.980 151 L CA -0.881 54.071 54.840 0.187 0.000 0.826 151 L CB 1.594 43.821 42.059 0.279 0.000 1.268 151 L HN 0.796 nan 8.230 nan 0.000 0.407 152 L N 5.816 127.106 121.223 0.112 0.000 2.305 152 L HA 0.619 4.959 4.340 -0.000 0.000 0.284 152 L C -0.883 176.061 176.870 0.123 0.000 1.013 152 L CA -0.799 54.097 54.840 0.094 0.000 0.819 152 L CB 1.962 44.059 42.059 0.063 0.000 1.227 152 L HN 0.323 nan 8.230 nan 0.000 0.417 153 V N 4.161 124.147 119.914 0.121 0.000 2.328 153 V HA 0.533 4.653 4.120 -0.000 0.000 0.278 153 V C -0.074 176.069 176.094 0.081 0.000 1.021 153 V CA -0.412 61.969 62.300 0.136 0.000 0.838 153 V CB 1.146 33.040 31.823 0.118 0.000 0.999 153 V HN 0.874 nan 8.190 nan 0.000 0.447 154 K N 4.030 124.480 120.400 0.084 0.000 2.395 154 K HA 0.696 5.016 4.320 -0.000 0.000 0.272 154 K C -1.223 175.414 176.600 0.061 0.000 0.984 154 K CA -0.991 55.328 56.287 0.055 0.000 0.816 154 K CB 1.555 34.081 32.500 0.043 0.000 1.504 154 K HN 0.502 nan 8.250 nan 0.000 0.375 155 E N -0.130 120.097 120.200 0.045 0.000 2.212 155 E HA 0.394 4.744 4.350 -0.000 0.000 0.268 155 E C -2.131 174.495 176.600 0.042 0.000 0.902 155 E CA -2.175 54.254 56.400 0.049 0.000 0.779 155 E CB 1.989 31.712 29.700 0.037 0.000 1.172 155 E HN 0.493 nan 8.360 nan 0.000 0.409 156 P HA 0.117 nan 4.420 nan 0.000 0.261 156 P C -0.227 177.120 177.300 0.078 0.000 1.268 156 P CA 0.020 63.157 63.100 0.062 0.000 0.833 156 P CB 0.399 32.130 31.700 0.052 0.000 1.231 157 V N 0.437 120.388 119.914 0.062 0.000 2.483 157 V HA 0.635 4.755 4.120 -0.000 0.000 0.297 157 V C 0.044 176.175 176.094 0.061 0.000 1.027 157 V CA -1.370 60.962 62.300 0.052 0.000 0.855 157 V CB 1.507 33.338 31.823 0.012 0.000 0.995 157 V HN 0.067 nan 8.190 nan 0.000 0.424 158 A N 4.555 127.430 122.820 0.091 0.000 2.328 158 A HA 0.732 5.052 4.320 -0.000 0.000 0.284 158 A C -0.306 177.289 177.584 0.018 0.000 1.160 158 A CA -0.354 51.742 52.037 0.099 0.000 0.818 158 A CB 0.821 19.951 19.000 0.218 0.000 1.087 158 A HN 0.733 nan 8.150 nan 0.000 0.504 159 V N 3.771 123.703 119.914 0.030 0.000 2.370 159 V HA 0.314 4.434 4.120 -0.000 0.000 0.279 159 V C -0.482 175.617 176.094 0.010 0.000 1.029 159 V CA -0.336 61.966 62.300 0.004 0.000 0.870 159 V CB 1.045 32.880 31.823 0.020 0.000 0.984 159 V HN 0.726 nan 8.190 nan 0.000 0.451 160 L N 6.587 127.792 121.223 -0.031 0.000 2.337 160 L HA 0.530 4.870 4.340 -0.000 0.000 0.269 160 L C -0.277 176.602 176.870 0.015 0.000 1.018 160 L CA 0.020 54.855 54.840 -0.008 0.000 0.876 160 L CB 0.774 42.776 42.059 -0.095 0.000 1.236 160 L HN 0.595 nan 8.230 nan 0.000 0.436 161 K N 3.541 123.977 120.400 0.060 0.000 2.118 161 K HA 0.952 5.272 4.320 -0.000 0.000 0.254 161 K C -1.289 175.371 176.600 0.101 0.000 0.961 161 K CA -0.450 55.873 56.287 0.059 0.000 0.876 161 K CB 1.734 34.263 32.500 0.048 0.000 1.077 161 K HN 0.705 nan 8.250 nan 0.000 0.440 162 A N 2.407 125.275 122.820 0.079 0.000 2.594 162 A HA 0.217 4.537 4.320 -0.000 0.000 0.296 162 A C -0.522 177.098 177.584 0.059 0.000 1.056 162 A CA -0.777 51.322 52.037 0.103 0.000 0.693 162 A CB 1.065 20.148 19.000 0.138 0.000 1.278 162 A HN 0.806 nan 8.150 nan 0.000 0.408 163 N N 0.601 119.341 118.700 0.067 0.000 2.043 163 N HA -0.079 4.661 4.740 -0.000 0.000 0.193 163 N C 0.532 176.053 175.510 0.018 0.000 1.037 163 N CA 1.454 54.531 53.050 0.045 0.000 0.851 163 N CB -0.110 38.413 38.487 0.059 0.000 1.027 163 N HN 0.631 nan 8.380 nan 0.000 0.422 164 R N -0.350 120.163 120.500 0.022 0.000 2.828 164 R HA 0.314 4.654 4.340 -0.000 0.000 0.264 164 R C 1.303 177.471 176.300 -0.220 0.000 1.022 164 R CA -0.670 55.380 56.100 -0.084 0.000 1.021 164 R CB 0.318 30.629 30.300 0.018 0.000 1.163 164 R HN -0.166 nan 8.270 nan 0.000 0.494 165 V N 0.687 120.290 119.914 -0.519 0.000 2.380 165 V HA -0.266 3.854 4.120 -0.000 0.000 0.251 165 V C 1.702 177.545 176.094 -0.420 0.000 1.063 165 V CA 2.047 63.998 62.300 -0.582 0.000 1.055 165 V CB -0.431 30.878 31.823 -0.856 0.000 0.657 165 V HN 0.705 nan 8.190 nan 0.000 0.455 166 W N 0.129 121.451 121.300 0.037 0.000 2.363 166 W HA -0.004 4.656 4.660 -0.000 0.000 0.296 166 W C 2.506 179.066 176.519 0.068 0.000 1.212 166 W CA 0.688 58.066 57.345 0.055 0.000 1.260 166 W CB -1.213 28.298 29.460 0.085 0.000 1.131 166 W HN 0.251 nan 8.180 nan 0.000 0.530 167 G N 0.926 109.879 108.800 0.255 0.000 2.442 167 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 167 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 167 G C 1.690 176.622 174.900 0.053 0.000 1.141 167 G CA 1.485 46.726 45.100 0.234 0.000 0.763 167 G HN 0.349 nan 8.290 nan 0.000 0.554 168 A N 0.310 123.126 122.820 -0.007 0.000 1.930 168 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 168 A C 2.417 179.917 177.584 -0.138 0.000 1.175 168 A CA 1.060 53.047 52.037 -0.084 0.000 0.627 168 A CB -0.284 18.665 19.000 -0.085 0.000 0.815 168 A HN 0.363 nan 8.150 nan 0.000 0.443 169 L N -0.954 120.234 121.223 -0.058 0.000 2.056 169 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 169 L C 2.830 179.645 176.870 -0.091 0.000 1.078 169 L CA 0.921 55.748 54.840 -0.021 0.000 0.749 169 L CB -0.455 41.685 42.059 0.135 0.000 0.901 169 L HN 0.279 nan 8.230 nan 0.000 0.433 170 R N 0.211 120.654 120.500 -0.094 0.000 2.081 170 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 170 R C 2.247 178.181 176.300 -0.609 0.000 1.131 170 R CA 1.448 57.409 56.100 -0.230 0.000 0.960 170 R CB -1.267 29.047 30.300 0.023 0.000 0.856 170 R HN 0.410 nan 8.270 nan 0.000 0.436 171 G N 1.298 109.566 108.800 -0.887 0.000 2.404 171 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.215 171 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.215 171 G C 1.631 176.277 174.900 -0.422 0.000 1.174 171 G CA 0.233 44.745 45.100 -0.981 0.000 0.780 171 G HN 0.173 nan 8.290 nan 0.000 0.537 172 L N 0.262 121.241 121.223 -0.407 0.000 2.187 172 L HA -0.100 4.240 4.340 -0.000 0.000 0.213 172 L C 2.757 179.259 176.870 -0.614 0.000 1.100 172 L CA 1.425 55.943 54.840 -0.537 0.000 0.765 172 L CB -0.165 41.416 42.059 -0.797 0.000 0.904 172 L HN 0.281 nan 8.230 nan 0.000 0.437 173 E N -0.199 119.770 120.200 -0.386 0.000 2.046 173 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 173 E C 2.012 178.595 176.600 -0.027 0.000 0.982 173 E CA 1.824 58.216 56.400 -0.015 0.000 0.800 173 E CB -0.127 29.618 29.700 0.075 0.000 0.756 173 E HN 0.319 nan 8.360 nan 0.000 0.449 174 T N 0.254 114.746 114.554 -0.104 0.000 2.833 174 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 174 T C 1.551 176.270 174.700 0.031 0.000 1.054 174 T CA 1.235 63.317 62.100 -0.030 0.000 1.135 174 T CB -0.495 68.399 68.868 0.042 0.000 0.869 174 T HN 0.228 nan 8.240 nan 0.000 0.466 175 F N 2.605 122.493 119.950 -0.104 0.000 2.206 175 F HA -0.067 4.459 4.527 -0.000 0.000 0.298 175 F C 2.474 178.227 175.800 -0.078 0.000 1.090 175 F CA 1.238 59.190 58.000 -0.079 0.000 1.323 175 F CB -0.243 38.702 39.000 -0.092 0.000 1.028 175 F HN 0.187 nan 8.300 nan 0.000 0.492 176 S N -0.777 114.968 115.700 0.076 0.000 2.555 176 S HA -0.121 4.349 4.470 -0.000 0.000 0.230 176 S C 1.416 175.975 174.600 -0.068 0.000 0.978 176 S CA 0.704 58.930 58.200 0.044 0.000 0.934 176 S CB -0.474 62.897 63.200 0.284 0.000 0.766 176 S HN 0.641 nan 8.310 nan 0.000 0.533 177 Q N -0.179 119.571 119.800 -0.083 0.000 2.282 177 Q HA 0.399 4.739 4.340 -0.000 0.000 0.206 177 Q C 1.370 177.318 176.000 -0.087 0.000 0.878 177 Q CA 0.009 55.766 55.803 -0.077 0.000 0.944 177 Q CB 0.163 28.866 28.738 -0.057 0.000 1.100 177 Q HN 0.524 nan 8.270 nan 0.000 0.509 178 L N -0.418 120.701 121.223 -0.172 0.000 2.425 178 L HA 0.133 4.473 4.340 -0.000 0.000 0.215 178 L C 0.518 177.295 176.870 -0.155 0.000 1.065 178 L CA 0.090 54.835 54.840 -0.157 0.000 0.842 178 L CB 0.674 42.577 42.059 -0.260 0.000 1.033 178 L HN -0.081 nan 8.230 nan 0.000 0.474 179 V N 1.671 121.389 119.914 -0.327 0.000 2.415 179 V HA 0.030 4.150 4.120 -0.000 0.000 0.267 179 V C -0.181 175.842 176.094 -0.118 0.000 1.042 179 V CA -0.189 61.906 62.300 -0.341 0.000 1.000 179 V CB -0.830 30.698 31.823 -0.491 0.000 1.015 179 V HN 0.182 nan 8.190 nan 0.000 0.478 180 Y N 2.839 123.083 120.300 -0.094 0.000 2.805 180 Y HA 0.798 5.348 4.550 -0.000 0.000 0.321 180 Y C -0.191 175.679 175.900 -0.049 0.000 1.203 180 Y CA -1.548 56.513 58.100 -0.065 0.000 1.165 180 Y CB 1.187 39.596 38.460 -0.084 0.000 1.371 180 Y HN 0.395 nan 8.280 nan 0.000 0.564 181 Q N 1.309 121.202 119.800 0.155 0.000 2.342 181 Q HA 0.249 4.589 4.340 -0.000 0.000 0.267 181 Q C -1.134 174.968 176.000 0.170 0.000 1.038 181 Q CA -1.034 54.748 55.803 -0.034 0.000 0.832 181 Q CB 2.276 30.887 28.738 -0.211 0.000 1.323 181 Q HN 0.813 nan 8.270 nan 0.000 0.448 182 D N -0.054 120.397 120.400 0.086 0.000 2.376 182 D HA 0.068 4.708 4.640 -0.000 0.000 0.281 182 D C 0.580 176.851 176.300 -0.048 0.000 1.215 182 D CA -0.271 53.793 54.000 0.106 0.000 1.062 182 D CB 0.055 40.940 40.800 0.142 0.000 1.124 182 D HN 0.297 nan 8.370 nan 0.000 0.550 183 S N -1.728 113.874 115.700 -0.163 0.000 2.402 183 S HA -0.097 4.373 4.470 -0.000 0.000 0.229 183 S C 1.358 175.703 174.600 -0.425 0.000 1.021 183 S CA 0.737 58.711 58.200 -0.377 0.000 0.974 183 S CB -0.541 62.283 63.200 -0.626 0.000 0.800 183 S HN 0.450 nan 8.310 nan 0.000 0.484 184 Y N 0.579 120.852 120.300 -0.044 0.000 2.457 184 Y HA 0.408 4.958 4.550 -0.000 0.000 0.263 184 Y C 1.790 177.631 175.900 -0.098 0.000 1.164 184 Y CA -0.098 57.965 58.100 -0.061 0.000 1.274 184 Y CB -0.153 38.272 38.460 -0.058 0.000 1.097 184 Y HN 0.299 nan 8.280 nan 0.000 0.523 185 G N -0.262 108.512 108.800 -0.044 0.000 2.175 185 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 185 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 185 G C 0.272 174.990 174.900 -0.302 0.000 0.982 185 G CA 0.136 45.129 45.100 -0.179 0.000 0.641 185 G HN 0.258 nan 8.290 nan 0.000 0.527 186 T N 1.934 116.402 114.554 -0.143 0.000 2.867 186 T HA 0.382 4.732 4.350 -0.000 0.000 0.297 186 T C 0.346 174.953 174.700 -0.154 0.000 0.989 186 T CA 0.174 62.202 62.100 -0.120 0.000 1.159 186 T CB 0.333 69.145 68.868 -0.094 0.000 0.928 186 T HN 0.209 nan 8.240 nan 0.000 0.538 187 F N 2.974 122.934 119.950 0.016 0.000 2.502 187 F HA 0.245 4.771 4.527 -0.000 0.000 0.371 187 F C 1.368 177.114 175.800 -0.090 0.000 1.083 187 F CA -0.242 57.737 58.000 -0.035 0.000 1.174 187 F CB 0.107 39.148 39.000 0.069 0.000 1.096 187 F HN 0.418 nan 8.300 nan 0.000 0.545 188 T N 5.620 120.045 114.554 -0.215 0.000 2.841 188 T HA 0.620 4.970 4.350 -0.000 0.000 0.283 188 T C -0.821 173.443 174.700 -0.726 0.000 1.000 188 T CA -0.593 61.258 62.100 -0.414 0.000 0.977 188 T CB 1.851 70.431 68.868 -0.480 0.000 0.979 188 T HN 0.505 nan 8.240 nan 0.000 0.446 189 I N 2.667 122.963 120.570 -0.457 0.000 2.512 189 I HA 0.411 4.580 4.170 -0.000 0.000 0.287 189 I C -1.230 174.772 176.117 -0.192 0.000 1.069 189 I CA -0.907 60.181 61.300 -0.353 0.000 1.056 189 I CB 1.499 39.285 38.000 -0.356 0.000 1.229 189 I HN 0.472 nan 8.210 nan 0.000 0.429 190 N N 6.406 125.066 118.700 -0.067 0.000 2.452 190 N HA 0.098 4.838 4.740 -0.000 0.000 0.266 190 N C -0.803 174.692 175.510 -0.025 0.000 1.175 190 N CA -0.237 52.804 53.050 -0.016 0.000 0.945 190 N CB 0.641 39.160 38.487 0.055 0.000 1.063 190 N HN 0.572 nan 8.380 nan 0.000 0.472 191 E N 0.822 121.007 120.200 -0.024 0.000 2.465 191 E HA 0.223 4.573 4.350 -0.000 0.000 0.260 191 E C -0.493 176.115 176.600 0.012 0.000 0.980 191 E CA -0.261 56.138 56.400 -0.002 0.000 0.927 191 E CB 0.333 30.033 29.700 -0.001 0.000 0.934 191 E HN 0.537 nan 8.360 nan 0.000 0.459 192 S N 2.120 117.837 115.700 0.027 0.000 2.672 192 S HA 0.592 5.062 4.470 -0.000 0.000 0.271 192 S C -0.863 173.763 174.600 0.044 0.000 1.171 192 S CA -1.063 57.156 58.200 0.031 0.000 0.817 192 S CB 1.811 65.028 63.200 0.028 0.000 1.150 192 S HN 0.492 nan 8.310 nan 0.000 0.478 193 T N 0.964 115.541 114.554 0.038 0.000 3.011 193 T HA 0.638 4.988 4.350 -0.000 0.000 0.303 193 T C -1.448 173.272 174.700 0.033 0.000 0.997 193 T CA -0.193 61.931 62.100 0.039 0.000 1.007 193 T CB 0.671 69.555 68.868 0.025 0.000 1.017 193 T HN 0.554 nan 8.240 nan 0.000 0.443 194 I N 3.627 124.223 120.570 0.043 0.000 2.447 194 I HA 0.498 4.668 4.170 -0.000 0.000 0.287 194 I C -0.713 175.377 176.117 -0.044 0.000 1.023 194 I CA -0.457 60.855 61.300 0.019 0.000 1.083 194 I CB 1.762 39.805 38.000 0.071 0.000 1.245 194 I HN 0.580 nan 8.210 nan 0.000 0.434 195 I N 5.379 125.895 120.570 -0.091 0.000 2.359 195 I HA 0.413 4.583 4.170 -0.000 0.000 0.284 195 I C -0.920 175.057 176.117 -0.233 0.000 1.018 195 I CA -0.282 60.922 61.300 -0.160 0.000 1.173 195 I CB 1.148 39.092 38.000 -0.094 0.000 1.326 195 I HN 0.446 nan 8.210 nan 0.000 0.462 196 D N 4.554 124.667 120.400 -0.477 0.000 2.738 196 D HA 0.702 5.342 4.640 -0.000 0.000 0.237 196 D C -1.018 175.092 176.300 -0.317 0.000 1.123 196 D CA -0.166 53.597 54.000 -0.395 0.000 0.856 196 D CB 2.045 42.618 40.800 -0.379 0.000 1.552 196 D HN 0.501 nan 8.370 nan 0.000 0.480 197 S N 1.708 117.301 115.700 -0.179 0.000 2.550 197 S HA 0.738 5.208 4.470 -0.000 0.000 0.270 197 S C -3.011 171.042 174.600 -0.912 0.000 1.145 197 S CA -1.325 56.678 58.200 -0.328 0.000 0.852 197 S CB 2.195 65.247 63.200 -0.247 0.000 1.119 197 S HN 0.272 nan 8.310 nan 0.000 0.465 198 P HA 0.281 nan 4.420 nan 0.000 0.276 198 P C 0.203 177.046 177.300 -0.762 0.000 1.230 198 P CA -0.428 61.742 63.100 -1.550 0.000 0.776 198 P CB 0.967 32.049 31.700 -1.029 0.000 0.888 199 R N 1.952 122.038 120.500 -0.689 0.000 2.090 199 R HA 0.024 4.364 4.340 -0.000 0.000 0.228 199 R C -0.091 175.822 176.300 -0.645 0.000 1.110 199 R CA 1.131 56.850 56.100 -0.635 0.000 0.973 199 R CB 0.001 29.862 30.300 -0.732 0.000 0.869 199 R HN 0.387 nan 8.270 nan 0.000 0.440 200 F N -0.706 119.194 119.950 -0.083 0.000 2.540 200 F HA 0.215 4.742 4.527 -0.000 0.000 0.317 200 F C 0.924 176.706 175.800 -0.029 0.000 1.104 200 F CA -1.163 56.842 58.000 0.009 0.000 0.913 200 F CB 2.166 41.235 39.000 0.116 0.000 1.170 200 F HN -0.119 nan 8.300 nan 0.000 0.450 201 S N -0.041 115.775 115.700 0.192 0.000 2.575 201 S HA 0.046 4.516 4.470 -0.000 0.000 0.215 201 S C 0.164 174.834 174.600 0.117 0.000 0.966 201 S CA 0.239 58.498 58.200 0.098 0.000 0.911 201 S CB -0.495 62.742 63.200 0.062 0.000 0.780 201 S HN 0.652 nan 8.310 nan 0.000 0.514 202 H N 1.826 120.934 119.070 0.063 0.000 2.736 202 H HA 0.469 5.025 4.556 -0.000 0.000 0.271 202 H C -1.060 174.316 175.328 0.080 0.000 1.184 202 H CA -0.437 55.624 56.048 0.022 0.000 1.378 202 H CB 0.287 30.000 29.762 -0.082 0.000 1.428 202 H HN 0.331 nan 8.280 nan 0.000 0.500 203 R N 2.859 123.418 120.500 0.098 0.000 2.310 203 R HA 0.473 4.813 4.340 -0.000 0.000 0.316 203 R C 0.072 176.598 176.300 0.376 0.000 1.004 203 R CA -0.701 55.514 56.100 0.192 0.000 0.900 203 R CB 1.805 32.097 30.300 -0.012 0.000 1.152 203 R HN 0.515 nan 8.270 nan 0.000 0.513 204 G N 2.246 111.312 108.800 0.444 0.000 2.816 204 G HA2 0.709 4.669 3.960 -0.000 0.000 0.288 204 G HA3 0.709 4.669 3.960 -0.000 0.000 0.288 204 G C -0.979 173.978 174.900 0.094 0.000 1.334 204 G CA -0.460 44.811 45.100 0.285 0.000 0.978 204 G HN 0.235 nan 8.290 nan 0.000 0.493 205 I N 0.104 120.610 120.570 -0.107 0.000 2.686 205 I HA 0.385 4.555 4.170 -0.000 0.000 0.295 205 I C -1.014 174.969 176.117 -0.224 0.000 1.114 205 I CA -0.592 60.531 61.300 -0.295 0.000 1.038 205 I CB 1.870 39.570 38.000 -0.500 0.000 1.238 205 I HN 0.414 nan 8.210 nan 0.000 0.420 206 L N 7.150 128.166 121.223 -0.346 0.000 2.280 206 L HA 0.607 4.947 4.340 -0.000 0.000 0.287 206 L C -0.457 176.132 176.870 -0.469 0.000 1.023 206 L CA -0.459 54.120 54.840 -0.436 0.000 0.819 206 L CB 0.903 42.505 42.059 -0.761 0.000 1.212 206 L HN 0.555 nan 8.230 nan 0.000 0.420 207 I N 0.974 121.354 120.570 -0.317 0.000 2.525 207 I HA 0.542 4.712 4.170 -0.000 0.000 0.301 207 I C -0.920 175.126 176.117 -0.118 0.000 0.992 207 I CA -0.576 60.565 61.300 -0.265 0.000 1.162 207 I CB 1.705 39.530 38.000 -0.292 0.000 1.332 207 I HN 0.454 nan 8.210 nan 0.000 0.458 208 D N 4.014 124.377 120.400 -0.063 0.000 2.461 208 D HA 0.229 4.869 4.640 -0.000 0.000 0.240 208 D C 0.530 176.957 176.300 0.212 0.000 1.094 208 D CA -0.468 53.596 54.000 0.106 0.000 0.868 208 D CB 1.431 42.289 40.800 0.097 0.000 1.062 208 D HN 0.761 nan 8.370 nan 0.000 0.530 209 T N -0.382 114.368 114.554 0.327 0.000 3.145 209 T HA 0.103 4.453 4.350 -0.000 0.000 0.255 209 T C 1.250 176.189 174.700 0.399 0.000 1.039 209 T CA 0.008 62.341 62.100 0.389 0.000 0.928 209 T CB 0.347 69.576 68.868 0.601 0.000 1.029 209 T HN 0.147 nan 8.240 nan 0.000 0.554 210 S N 0.528 116.424 115.700 0.327 0.000 2.566 210 S HA 0.200 4.670 4.470 -0.000 0.000 0.234 210 S C 1.987 176.717 174.600 0.217 0.000 1.075 210 S CA -0.234 58.110 58.200 0.240 0.000 0.926 210 S CB -0.021 63.287 63.200 0.180 0.000 0.811 210 S HN 0.273 nan 8.310 nan 0.000 0.518 211 R N 0.390 121.018 120.500 0.213 0.000 2.148 211 R HA 0.261 4.601 4.340 -0.000 0.000 0.227 211 R C -0.079 176.246 176.300 0.041 0.000 1.103 211 R CA 1.069 57.242 56.100 0.122 0.000 0.983 211 R CB -0.182 30.182 30.300 0.106 0.000 0.874 211 R HN 0.523 nan 8.270 nan 0.000 0.451 212 H N -3.273 115.983 119.070 0.310 0.000 3.046 212 H HA 0.215 4.771 4.556 -0.000 0.000 0.363 212 H C -1.731 173.816 175.328 0.366 0.000 1.203 212 H CA -0.895 55.333 56.048 0.301 0.000 1.169 212 H CB 1.313 31.165 29.762 0.150 0.000 1.851 212 H HN -0.069 nan 8.280 nan 0.000 0.546 213 Y N 2.779 123.318 120.300 0.398 0.000 2.304 213 Y HA 0.436 4.986 4.550 -0.000 0.000 0.328 213 Y C -1.107 174.926 175.900 0.221 0.000 1.123 213 Y CA -0.408 57.886 58.100 0.323 0.000 1.218 213 Y CB 0.516 39.168 38.460 0.319 0.000 1.207 213 Y HN 0.428 nan 8.280 nan 0.000 0.495 214 L N 8.675 129.704 121.223 -0.324 0.000 2.333 214 L HA 0.464 4.804 4.340 -0.000 0.000 0.280 214 L C -2.428 174.240 176.870 -0.336 0.000 1.004 214 L CA -2.315 52.405 54.840 -0.200 0.000 0.820 214 L CB 1.741 43.740 42.059 -0.100 0.000 1.247 214 L HN 0.560 nan 8.230 nan 0.000 0.416 215 P HA 0.020 nan 4.420 nan 0.000 0.268 215 P C 1.054 178.348 177.300 -0.010 0.000 1.204 215 P CA -0.371 62.742 63.100 0.020 0.000 0.768 215 P CB 0.821 32.550 31.700 0.049 0.000 0.842 216 V N 3.217 123.167 119.914 0.061 0.000 2.527 216 V HA -0.313 3.807 4.120 -0.000 0.000 0.255 216 V C 2.091 178.115 176.094 -0.117 0.000 1.081 216 V CA 1.760 64.049 62.300 -0.018 0.000 1.092 216 V CB -1.267 30.584 31.823 0.048 0.000 0.673 216 V HN 0.620 nan 8.190 nan 0.000 0.470 217 K N -0.231 120.122 120.400 -0.079 0.000 2.057 217 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 217 K C 2.124 178.649 176.600 -0.126 0.000 1.049 217 K CA 1.925 58.150 56.287 -0.103 0.000 0.931 217 K CB -0.256 32.214 32.500 -0.050 0.000 0.714 217 K HN 0.467 nan 8.250 nan 0.000 0.440 218 I N 0.857 121.365 120.570 -0.104 0.000 2.928 218 I HA -0.160 4.010 4.170 -0.000 0.000 0.266 218 I C 1.698 177.726 176.117 -0.147 0.000 1.234 218 I CA 0.556 61.798 61.300 -0.098 0.000 1.483 218 I CB 0.196 38.157 38.000 -0.066 0.000 1.097 218 I HN 0.138 nan 8.210 nan 0.000 0.455 219 I N 0.232 120.670 120.570 -0.219 0.000 2.233 219 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 219 I C 2.220 178.159 176.117 -0.296 0.000 1.093 219 I CA 1.270 62.381 61.300 -0.316 0.000 1.380 219 I CB -0.276 37.440 38.000 -0.473 0.000 1.067 219 I HN 0.168 nan 8.210 nan 0.000 0.413 220 L N 0.383 121.398 121.223 -0.347 0.000 2.083 220 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 220 L C 2.554 179.273 176.870 -0.252 0.000 1.083 220 L CA 1.393 55.943 54.840 -0.484 0.000 0.752 220 L CB -0.736 40.791 42.059 -0.888 0.000 0.899 220 L HN 0.197 nan 8.230 nan 0.000 0.433 221 K N -0.142 120.154 120.400 -0.174 0.000 2.063 221 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 221 K C 2.067 178.619 176.600 -0.080 0.000 1.048 221 K CA 2.003 58.237 56.287 -0.088 0.000 0.928 221 K CB -0.228 32.241 32.500 -0.052 0.000 0.713 221 K HN 0.329 nan 8.250 nan 0.000 0.442 222 T N 1.739 116.266 114.554 -0.044 0.000 2.904 222 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 222 T C 1.823 176.523 174.700 -0.000 0.000 1.059 222 T CA 0.723 62.866 62.100 0.071 0.000 1.137 222 T CB -0.045 68.857 68.868 0.056 0.000 0.879 222 T HN 0.114 nan 8.240 nan 0.000 0.467 223 L N 0.832 122.013 121.223 -0.071 0.000 2.141 223 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 223 L C 2.397 179.198 176.870 -0.114 0.000 1.094 223 L CA 1.007 55.822 54.840 -0.041 0.000 0.763 223 L CB -0.441 41.643 42.059 0.042 0.000 0.908 223 L HN 0.131 nan 8.230 nan 0.000 0.437 224 D N 0.084 120.378 120.400 -0.177 0.000 2.144 224 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 224 D C 2.190 177.856 176.300 -1.056 0.000 0.978 224 D CA 1.405 55.113 54.000 -0.487 0.000 0.833 224 D CB 0.130 40.759 40.800 -0.284 0.000 0.961 224 D HN 0.286 nan 8.370 nan 0.000 0.470 225 A N 0.020 122.417 122.820 -0.706 0.000 2.016 225 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 225 A C 2.129 179.241 177.584 -0.786 0.000 1.162 225 A CA 0.656 52.153 52.037 -0.899 0.000 0.662 225 A CB -0.338 17.903 19.000 -1.265 0.000 0.812 225 A HN 0.136 nan 8.150 nan 0.000 0.450 226 M N -0.806 118.602 119.600 -0.320 0.000 2.492 226 M HA 0.016 4.496 4.480 -0.000 0.000 0.262 226 M C 2.273 178.605 176.300 0.052 0.000 1.090 226 M CA 0.871 56.207 55.300 0.061 0.000 1.110 226 M CB -0.064 32.620 32.600 0.138 0.000 1.407 226 M HN 0.485 nan 8.290 nan 0.000 0.470 227 A N 0.112 122.824 122.820 -0.180 0.000 1.898 227 A HA -0.076 4.244 4.320 -0.000 0.000 0.214 227 A C 1.661 179.226 177.584 -0.032 0.000 1.183 227 A CA 1.142 53.102 52.037 -0.128 0.000 0.622 227 A CB -0.670 18.188 19.000 -0.238 0.000 0.824 227 A HN 0.368 nan 8.150 nan 0.000 0.444 228 F N 0.916 120.810 119.950 -0.093 0.000 2.126 228 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 228 F C 1.718 177.528 175.800 0.015 0.000 1.096 228 F CA 0.854 58.802 58.000 -0.086 0.000 1.255 228 F CB -0.744 38.140 39.000 -0.194 0.000 0.997 228 F HN 0.237 nan 8.300 nan 0.000 0.479 229 N N 0.552 119.400 118.700 0.247 0.000 2.295 229 N HA -0.010 4.730 4.740 -0.000 0.000 0.221 229 N C -0.214 175.409 175.510 0.189 0.000 1.129 229 N CA 0.078 53.335 53.050 0.346 0.000 0.836 229 N CB -0.041 38.811 38.487 0.609 0.000 1.040 229 N HN 0.219 nan 8.380 nan 0.000 0.494 230 K N 0.498 120.924 120.400 0.044 0.000 3.490 230 K HA -0.190 4.130 4.320 -0.000 0.000 0.273 230 K C -0.967 175.607 176.600 -0.044 0.000 0.916 230 K CA 0.580 56.809 56.287 -0.098 0.000 0.718 230 K CB -1.356 30.841 32.500 -0.505 0.000 1.477 230 K HN 0.166 nan 8.250 nan 0.000 0.452 231 F N 0.827 120.843 119.950 0.110 0.000 2.425 231 F HA 0.226 4.753 4.527 -0.000 0.000 0.331 231 F C 1.540 177.383 175.800 0.071 0.000 1.085 231 F CA -0.578 57.493 58.000 0.119 0.000 1.028 231 F CB 0.965 40.044 39.000 0.131 0.000 1.177 231 F HN 0.215 nan 8.300 nan 0.000 0.487 232 N N 0.362 119.187 118.700 0.209 0.000 2.143 232 N HA 0.127 4.866 4.740 -0.000 0.000 0.222 232 N C -1.154 174.342 175.510 -0.022 0.000 1.264 232 N CA 0.254 53.348 53.050 0.072 0.000 0.897 232 N CB 0.558 39.069 38.487 0.040 0.000 1.092 232 N HN 0.211 nan 8.380 nan 0.000 0.516 233 V N 1.255 121.158 119.914 -0.019 0.000 2.841 233 V HA 0.480 4.599 4.120 -0.000 0.000 0.310 233 V C -1.143 174.947 176.094 -0.008 0.000 1.090 233 V CA -1.001 61.240 62.300 -0.099 0.000 0.930 233 V CB 2.330 33.912 31.823 -0.402 0.000 1.014 233 V HN 0.094 nan 8.190 nan 0.000 0.425 234 L N 3.182 124.408 121.223 0.006 0.000 2.294 234 L HA 0.533 4.873 4.340 -0.000 0.000 0.283 234 L C -0.180 176.733 176.870 0.071 0.000 1.015 234 L CA -0.134 54.709 54.840 0.004 0.000 0.831 234 L CB 0.882 42.918 42.059 -0.038 0.000 1.217 234 L HN 0.806 nan 8.230 nan 0.000 0.420 235 H N 5.296 124.344 119.070 -0.036 0.000 3.067 235 H HA 0.085 4.640 4.556 -0.000 0.000 0.265 235 H C -1.037 174.294 175.328 0.005 0.000 1.234 235 H CA -0.417 55.616 56.048 -0.025 0.000 1.452 235 H CB 0.310 30.017 29.762 -0.092 0.000 1.527 235 H HN 0.662 nan 8.280 nan 0.000 0.486 236 W N 7.344 128.671 121.300 0.045 0.000 2.481 236 W HA 0.054 4.714 4.660 -0.000 0.000 0.320 236 W C -0.457 176.060 176.519 -0.003 0.000 1.209 236 W CA -0.559 56.776 57.345 -0.016 0.000 1.400 236 W CB -0.212 29.208 29.460 -0.066 0.000 1.361 236 W HN 0.648 nan 8.180 nan 0.000 0.456 237 H N 7.525 126.780 119.070 0.309 0.000 2.820 237 H HA 0.066 4.622 4.556 -0.000 0.000 0.248 237 H C 1.169 176.547 175.328 0.082 0.000 1.714 237 H CA 0.202 56.325 56.048 0.124 0.000 1.334 237 H CB 0.066 29.862 29.762 0.057 0.000 1.693 237 H HN 0.636 nan 8.280 nan 0.000 0.548 238 I N 3.696 124.086 120.570 -0.299 0.000 2.286 238 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 238 I C 0.191 176.151 176.117 -0.262 0.000 1.104 238 I CA 0.675 61.725 61.300 -0.416 0.000 1.397 238 I CB 0.445 37.785 38.000 -1.100 0.000 1.072 238 I HN 0.245 nan 8.210 nan 0.000 0.417 239 V N -1.481 118.168 119.914 -0.442 0.000 2.815 239 V HA 0.626 4.746 4.120 -0.000 0.000 0.314 239 V C -0.738 175.395 176.094 0.064 0.000 1.064 239 V CA -0.705 61.419 62.300 -0.293 0.000 0.952 239 V CB 1.720 33.108 31.823 -0.725 0.000 1.020 239 V HN 0.192 nan 8.190 nan 0.000 0.439 240 D N 0.193 120.720 120.400 0.212 0.000 2.851 240 D HA 0.204 4.844 4.640 -0.000 0.000 0.339 240 D C 0.026 176.485 176.300 0.264 0.000 1.347 240 D CA -0.246 53.952 54.000 0.330 0.000 0.888 240 D CB 2.259 43.274 40.800 0.359 0.000 1.431 240 D HN 0.587 nan 8.370 nan 0.000 0.509 241 D N -0.147 120.365 120.400 0.188 0.000 2.144 241 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 241 D C 1.541 177.854 176.300 0.022 0.000 0.984 241 D CA 1.488 55.535 54.000 0.078 0.000 0.834 241 D CB 0.331 41.113 40.800 -0.030 0.000 0.955 241 D HN 0.232 nan 8.370 nan 0.000 0.465 242 Q N 0.087 119.880 119.800 -0.012 0.000 2.096 242 Q HA 0.011 4.351 4.340 -0.000 0.000 0.197 242 Q C 0.631 176.438 176.000 -0.321 0.000 0.964 242 Q CA 0.491 56.222 55.803 -0.120 0.000 0.838 242 Q CB 0.315 29.008 28.738 -0.076 0.000 0.906 242 Q HN 0.222 nan 8.270 nan 0.000 0.444 243 S N -1.903 113.632 115.700 -0.275 0.000 2.565 243 S HA 0.538 5.008 4.470 -0.000 0.000 0.269 243 S C -1.484 173.096 174.600 -0.034 0.000 1.153 243 S CA -0.947 57.052 58.200 -0.335 0.000 0.835 243 S CB 0.718 63.395 63.200 -0.872 0.000 1.122 243 S HN 0.087 nan 8.310 nan 0.000 0.462 244 F N 3.361 123.239 119.950 -0.119 0.000 2.453 244 F HA 0.530 5.057 4.527 -0.000 0.000 0.358 244 F C -2.109 173.695 175.800 0.005 0.000 1.129 244 F CA -2.108 55.854 58.000 -0.064 0.000 1.200 244 F CB 1.990 40.902 39.000 -0.147 0.000 1.431 244 F HN 0.432 nan 8.300 nan 0.000 0.503 245 P HA -0.125 nan 4.420 nan 0.000 0.227 245 P C 0.181 177.618 177.300 0.228 0.000 1.161 245 P CA 0.650 63.847 63.100 0.161 0.000 0.788 245 P CB -0.114 31.697 31.700 0.185 0.000 0.822 246 Y N 2.151 122.511 120.300 0.100 0.000 2.526 246 Y HA 0.088 4.638 4.550 -0.000 0.000 0.330 246 Y C 0.675 176.767 175.900 0.319 0.000 1.156 246 Y CA -0.070 58.141 58.100 0.185 0.000 1.419 246 Y CB 0.204 38.700 38.460 0.059 0.000 1.250 246 Y HN -0.111 nan 8.280 nan 0.000 0.540 247 Q N 5.214 124.753 119.800 -0.435 0.000 2.349 247 Q HA 0.229 4.569 4.340 -0.000 0.000 0.254 247 Q C -0.685 174.934 176.000 -0.635 0.000 0.980 247 Q CA -0.443 55.157 55.803 -0.338 0.000 0.924 247 Q CB 0.757 29.387 28.738 -0.180 0.000 1.209 247 Q HN 0.767 nan 8.270 nan 0.000 0.445 248 S N 3.631 119.244 115.700 -0.144 0.000 2.562 248 S HA 0.287 4.757 4.470 -0.000 0.000 0.275 248 S C 0.952 175.563 174.600 0.018 0.000 1.281 248 S CA -0.486 57.766 58.200 0.086 0.000 1.045 248 S CB 0.646 64.117 63.200 0.452 0.000 0.962 248 S HN 0.765 nan 8.310 nan 0.000 0.503 249 I N 3.299 123.868 120.570 -0.002 0.000 2.339 249 I HA -0.066 4.103 4.170 -0.000 0.000 0.245 249 I C 2.341 178.405 176.117 -0.088 0.000 1.096 249 I CA 0.868 62.141 61.300 -0.044 0.000 1.408 249 I CB -0.491 37.478 38.000 -0.051 0.000 1.092 249 I HN 0.642 nan 8.210 nan 0.000 0.423 250 T N 0.642 115.113 114.554 -0.139 0.000 2.867 250 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 250 T C 0.253 174.557 174.700 -0.661 0.000 1.057 250 T CA 1.262 63.109 62.100 -0.422 0.000 1.136 250 T CB -0.217 68.334 68.868 -0.528 0.000 0.874 250 T HN 0.042 nan 8.240 nan 0.000 0.466 251 F N 1.342 121.341 119.950 0.082 0.000 2.686 251 F HA 0.348 4.875 4.527 -0.000 0.000 0.365 251 F C -1.930 173.892 175.800 0.037 0.000 1.196 251 F CA -2.735 55.315 58.000 0.083 0.000 1.198 251 F CB 1.530 40.627 39.000 0.162 0.000 1.454 251 F HN -0.114 nan 8.300 nan 0.000 0.539 252 P HA -0.186 nan 4.420 nan 0.000 0.216 252 P C 1.044 178.363 177.300 0.031 0.000 1.150 252 P CA 1.497 64.626 63.100 0.048 0.000 0.837 252 P CB 0.436 32.143 31.700 0.011 0.000 0.786 253 E N -0.268 119.955 120.200 0.038 0.000 2.463 253 E HA -0.062 4.288 4.350 -0.000 0.000 0.201 253 E C 2.086 178.619 176.600 -0.111 0.000 1.045 253 E CA 0.428 56.816 56.400 -0.020 0.000 0.872 253 E CB -0.650 29.047 29.700 -0.005 0.000 0.797 253 E HN 0.405 nan 8.360 nan 0.000 0.538 254 L N 0.731 121.862 121.223 -0.153 0.000 2.156 254 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 254 L C 2.489 179.073 176.870 -0.478 0.000 1.095 254 L CA 1.400 55.936 54.840 -0.506 0.000 0.770 254 L CB -0.267 41.396 42.059 -0.659 0.000 0.914 254 L HN 0.150 nan 8.230 nan 0.000 0.439 255 S N -1.368 114.273 115.700 -0.099 0.000 2.441 255 S HA -0.022 4.448 4.470 -0.000 0.000 0.224 255 S C 1.640 176.239 174.600 -0.002 0.000 1.043 255 S CA 0.259 58.499 58.200 0.066 0.000 0.948 255 S CB -0.336 62.937 63.200 0.121 0.000 0.810 255 S HN 0.297 nan 8.310 nan 0.000 0.504 256 N N 1.970 120.653 118.700 -0.029 0.000 2.364 256 N HA 0.046 4.786 4.740 -0.000 0.000 0.183 256 N C 1.254 176.739 175.510 -0.042 0.000 1.022 256 N CA 1.110 54.143 53.050 -0.028 0.000 0.883 256 N CB -0.198 38.275 38.487 -0.024 0.000 0.965 256 N HN 0.438 nan 8.380 nan 0.000 0.438 257 K N -1.451 118.908 120.400 -0.068 0.000 2.436 257 K HA 0.309 4.629 4.320 -0.000 0.000 0.198 257 K C 1.714 178.268 176.600 -0.077 0.000 1.174 257 K CA 0.311 56.553 56.287 -0.074 0.000 0.951 257 K CB 0.190 32.633 32.500 -0.094 0.000 1.040 257 K HN 0.099 nan 8.250 nan 0.000 0.536 258 G N 0.460 109.209 108.800 -0.085 0.000 2.492 258 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.214 258 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.214 258 G C 0.449 175.344 174.900 -0.009 0.000 1.147 258 G CA 0.308 45.380 45.100 -0.047 0.000 0.809 258 G HN 0.322 nan 8.290 nan 0.000 0.533 259 S N -0.495 115.215 115.700 0.017 0.000 2.579 259 S HA 0.160 4.630 4.470 -0.000 0.000 0.275 259 S C 1.015 175.584 174.600 -0.052 0.000 1.345 259 S CA -0.518 57.682 58.200 -0.000 0.000 1.031 259 S CB 0.695 63.918 63.200 0.038 0.000 0.892 259 S HN 0.225 nan 8.310 nan 0.000 0.529 260 Y N 2.098 122.362 120.300 -0.059 0.000 2.014 260 Y HA -0.092 4.458 4.550 -0.000 0.000 0.272 260 Y C 1.915 177.682 175.900 -0.223 0.000 1.164 260 Y CA 1.727 59.721 58.100 -0.176 0.000 1.114 260 Y CB -0.734 37.530 38.460 -0.326 0.000 0.961 260 Y HN 1.005 nan 8.280 nan 0.000 0.489 261 S N -2.601 113.058 115.700 -0.068 0.000 2.685 261 S HA 0.357 4.827 4.470 -0.000 0.000 0.282 261 S C 0.055 174.646 174.600 -0.016 0.000 1.159 261 S CA -0.716 57.446 58.200 -0.064 0.000 0.833 261 S CB 0.959 64.094 63.200 -0.109 0.000 1.151 261 S HN -0.033 nan 8.310 nan 0.000 0.485 262 L N 2.067 123.283 121.223 -0.011 0.000 2.465 262 L HA 0.081 4.421 4.340 -0.000 0.000 0.224 262 L C 2.691 179.550 176.870 -0.019 0.000 1.145 262 L CA 1.729 56.562 54.840 -0.011 0.000 0.834 262 L CB -0.904 41.150 42.059 -0.009 0.000 0.944 262 L HN 0.889 nan 8.230 nan 0.000 0.451 263 S N -2.262 113.435 115.700 -0.004 0.000 2.404 263 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 263 S C 1.240 175.701 174.600 -0.232 0.000 1.040 263 S CA 0.149 58.318 58.200 -0.051 0.000 0.957 263 S CB -0.620 62.577 63.200 -0.004 0.000 0.826 263 S HN 0.464 nan 8.310 nan 0.000 0.491 264 H N 1.488 120.271 119.070 -0.479 0.000 3.563 264 H HA 0.458 5.014 4.556 -0.000 0.000 0.219 264 H C -0.823 174.106 175.328 -0.665 0.000 1.771 264 H CA -0.128 55.288 56.048 -1.052 0.000 1.458 264 H CB -0.405 28.962 29.762 -0.658 0.000 1.796 264 H HN 0.162 nan 8.280 nan 0.000 0.652 265 V N 1.777 121.468 119.914 -0.371 0.000 3.007 265 V HA 0.206 4.326 4.120 -0.000 0.000 0.311 265 V C -0.878 175.171 176.094 -0.074 0.000 1.120 265 V CA -0.895 61.334 62.300 -0.118 0.000 0.980 265 V CB 2.552 34.356 31.823 -0.032 0.000 1.033 265 V HN 0.403 nan 8.190 nan 0.000 0.429 266 Y N 1.663 122.115 120.300 0.253 0.000 2.402 266 Y HA 0.453 5.002 4.550 -0.000 0.000 0.332 266 Y C 1.042 176.972 175.900 0.051 0.000 0.960 266 Y CA -0.824 57.395 58.100 0.199 0.000 1.228 266 Y CB 1.644 40.250 38.460 0.244 0.000 1.120 266 Y HN 0.741 nan 8.280 nan 0.000 0.491 267 T N 0.256 114.921 114.554 0.184 0.000 2.860 267 T HA 0.106 4.456 4.350 -0.000 0.000 0.299 267 T C -1.800 172.920 174.700 0.032 0.000 1.045 267 T CA -1.713 60.423 62.100 0.059 0.000 1.071 267 T CB 1.178 70.081 68.868 0.058 0.000 0.985 267 T HN 0.269 nan 8.240 nan 0.000 0.537 268 P HA -0.199 nan 4.420 nan 0.000 0.219 268 P C 1.473 178.778 177.300 0.008 0.000 1.158 268 P CA 1.446 64.529 63.100 -0.029 0.000 0.895 268 P CB -0.081 31.599 31.700 -0.033 0.000 0.792 269 N N -1.182 117.535 118.700 0.028 0.000 2.188 269 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 269 N C 1.339 176.891 175.510 0.070 0.000 1.018 269 N CA 1.315 54.391 53.050 0.043 0.000 0.858 269 N CB -0.664 37.849 38.487 0.043 0.000 0.989 269 N HN 0.011 nan 8.380 nan 0.000 0.426 270 D N -0.330 120.135 120.400 0.108 0.000 2.092 270 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 270 D C 2.012 178.405 176.300 0.155 0.000 0.994 270 D CA 1.135 55.231 54.000 0.160 0.000 0.828 270 D CB -0.399 40.575 40.800 0.289 0.000 0.963 270 D HN 0.110 nan 8.370 nan 0.000 0.450 271 V N 1.386 121.383 119.914 0.139 0.000 2.255 271 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 271 V C 2.637 178.741 176.094 0.017 0.000 1.051 271 V CA 1.948 64.301 62.300 0.089 0.000 1.018 271 V CB -0.628 31.179 31.823 -0.026 0.000 0.641 271 V HN 0.155 nan 8.190 nan 0.000 0.445 272 R N -0.103 120.393 120.500 -0.008 0.000 2.091 272 R HA -0.240 4.100 4.340 -0.000 0.000 0.238 272 R C 2.378 178.717 176.300 0.066 0.000 1.136 272 R CA 2.433 58.537 56.100 0.006 0.000 0.959 272 R CB -0.359 29.951 30.300 0.017 0.000 0.856 272 R HN 0.560 nan 8.270 nan 0.000 0.437 273 M N 0.341 119.987 119.600 0.077 0.000 2.080 273 M HA -0.162 4.318 4.480 -0.000 0.000 0.260 273 M C 1.902 178.268 176.300 0.110 0.000 1.068 273 M CA 1.794 57.150 55.300 0.094 0.000 1.109 273 M CB 0.028 32.668 32.600 0.067 0.000 1.342 273 M HN 0.095 nan 8.290 nan 0.000 0.405 274 V N 0.838 120.799 119.914 0.078 0.000 2.332 274 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 274 V C 2.301 178.474 176.094 0.131 0.000 1.055 274 V CA 2.060 64.391 62.300 0.052 0.000 1.038 274 V CB -0.802 31.027 31.823 0.009 0.000 0.651 274 V HN 0.543 nan 8.190 nan 0.000 0.450 275 I N -0.348 120.303 120.570 0.135 0.000 2.179 275 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 275 I C 2.612 178.875 176.117 0.243 0.000 1.088 275 I CA 1.443 62.836 61.300 0.155 0.000 1.357 275 I CB -0.394 37.633 38.000 0.044 0.000 1.051 275 I HN 0.269 nan 8.210 nan 0.000 0.409 276 E N -0.298 120.034 120.200 0.219 0.000 2.274 276 E HA -0.191 4.158 4.350 -0.000 0.000 0.194 276 E C 1.861 178.558 176.600 0.162 0.000 0.996 276 E CA 0.982 57.499 56.400 0.196 0.000 0.840 276 E CB -0.119 29.668 29.700 0.146 0.000 0.772 276 E HN 0.564 nan 8.360 nan 0.000 0.491 277 Y N 0.649 120.982 120.300 0.056 0.000 2.365 277 Y HA -0.015 4.535 4.550 -0.000 0.000 0.293 277 Y C 2.205 178.119 175.900 0.023 0.000 1.119 277 Y CA 1.115 59.229 58.100 0.023 0.000 1.203 277 Y CB 0.135 38.592 38.460 -0.004 0.000 1.026 277 Y HN 0.017 nan 8.280 nan 0.000 0.549 278 A N 0.173 123.127 122.820 0.224 0.000 1.929 278 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 278 A C 2.258 179.913 177.584 0.117 0.000 1.176 278 A CA 1.251 53.377 52.037 0.148 0.000 0.628 278 A CB -0.603 18.476 19.000 0.132 0.000 0.816 278 A HN 0.438 nan 8.150 nan 0.000 0.444 279 R N -0.201 120.393 120.500 0.156 0.000 2.091 279 R HA -0.044 4.296 4.340 -0.000 0.000 0.238 279 R C 0.951 177.328 176.300 0.129 0.000 1.136 279 R CA 1.314 57.510 56.100 0.159 0.000 0.959 279 R CB -0.370 30.018 30.300 0.147 0.000 0.856 279 R HN 0.503 nan 8.270 nan 0.000 0.437 280 L N 0.380 121.627 121.223 0.039 0.000 2.713 280 L HA 0.084 4.424 4.340 -0.000 0.000 0.245 280 L C 1.127 177.992 176.870 -0.008 0.000 1.169 280 L CA 0.516 55.348 54.840 -0.012 0.000 0.962 280 L CB 0.062 42.055 42.059 -0.111 0.000 1.161 280 L HN 0.118 nan 8.230 nan 0.000 0.427 281 R N -1.266 119.267 120.500 0.056 0.000 2.496 281 R HA 0.190 4.530 4.340 -0.000 0.000 0.369 281 R C 1.170 177.547 176.300 0.128 0.000 0.896 281 R CA 0.439 56.582 56.100 0.070 0.000 1.147 281 R CB 1.142 31.439 30.300 -0.006 0.000 1.697 281 R HN 0.211 nan 8.270 nan 0.000 0.518 282 G N 1.344 110.245 108.800 0.170 0.000 2.179 282 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 282 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 282 G C 0.111 174.979 174.900 -0.053 0.000 0.977 282 G CA 0.146 45.298 45.100 0.086 0.000 0.641 282 G HN 0.143 nan 8.290 nan 0.000 0.533 283 I N 1.696 122.278 120.570 0.021 0.000 2.496 283 I HA 0.349 4.519 4.170 -0.000 0.000 0.285 283 I C 1.213 177.342 176.117 0.019 0.000 1.080 283 I CA -0.154 61.159 61.300 0.021 0.000 1.404 283 I CB 0.746 38.777 38.000 0.051 0.000 1.403 283 I HN 0.135 nan 8.210 nan 0.000 0.539 284 R N 4.514 125.009 120.500 -0.009 0.000 2.490 284 R HA 0.524 4.864 4.340 -0.000 0.000 0.278 284 R C -1.014 175.327 176.300 0.069 0.000 1.069 284 R CA -0.730 55.383 56.100 0.021 0.000 1.080 284 R CB 0.982 31.269 30.300 -0.023 0.000 1.030 284 R HN 0.323 nan 8.270 nan 0.000 0.491 285 V N 4.639 124.631 119.914 0.130 0.000 2.311 285 V HA 0.159 4.279 4.120 -0.000 0.000 0.275 285 V C -0.651 175.584 176.094 0.234 0.000 1.022 285 V CA -0.625 61.809 62.300 0.223 0.000 0.830 285 V CB 1.048 33.072 31.823 0.335 0.000 1.012 285 V HN 0.443 nan 8.190 nan 0.000 0.452 286 L N 9.674 130.979 121.223 0.137 0.000 2.264 286 L HA 0.621 4.961 4.340 -0.000 0.000 0.287 286 L C -2.264 174.558 176.870 -0.080 0.000 1.039 286 L CA -1.742 53.109 54.840 0.018 0.000 0.829 286 L CB 1.292 43.316 42.059 -0.057 0.000 1.211 286 L HN 0.342 nan 8.230 nan 0.000 0.427 287 P HA 0.170 nan 4.420 nan 0.000 0.280 287 P C -1.154 175.993 177.300 -0.255 0.000 1.244 287 P CA -0.236 62.583 63.100 -0.469 0.000 0.784 287 P CB 1.105 32.159 31.700 -1.078 0.000 0.913 288 E N 2.448 122.445 120.200 -0.338 0.000 2.187 288 E HA 0.427 4.777 4.350 -0.000 0.000 0.268 288 E C -1.493 174.860 176.600 -0.411 0.000 0.896 288 E CA -0.675 55.631 56.400 -0.157 0.000 0.766 288 E CB 0.815 30.491 29.700 -0.040 0.000 1.142 288 E HN 0.286 nan 8.360 nan 0.000 0.408 289 F N 3.059 123.079 119.950 0.117 0.000 2.660 289 F HA 0.167 4.694 4.527 -0.000 0.000 0.352 289 F C 0.023 176.047 175.800 0.374 0.000 1.257 289 F CA -0.876 57.310 58.000 0.309 0.000 1.200 289 F CB 0.942 40.225 39.000 0.472 0.000 1.473 289 F HN 0.348 nan 8.300 nan 0.000 0.561 290 D N 2.778 123.360 120.400 0.304 0.000 2.570 290 D HA 0.005 4.645 4.640 -0.000 0.000 0.243 290 D C 0.176 176.533 176.300 0.095 0.000 1.171 290 D CA 0.998 55.147 54.000 0.248 0.000 0.879 290 D CB 0.829 41.738 40.800 0.182 0.000 1.143 290 D HN 0.483 nan 8.370 nan 0.000 0.511 291 T N 1.136 115.795 114.554 0.176 0.000 2.909 291 T HA 0.517 4.867 4.350 -0.000 0.000 0.299 291 T C -2.348 172.516 174.700 0.274 0.000 1.073 291 T CA -1.380 60.791 62.100 0.117 0.000 0.999 291 T CB 2.594 71.635 68.868 0.289 0.000 1.098 291 T HN 0.030 nan 8.240 nan 0.000 0.477 292 P HA 0.232 nan 4.420 nan 0.000 0.252 292 P C 0.978 178.169 177.300 -0.182 0.000 1.218 292 P CA 0.197 63.206 63.100 -0.152 0.000 0.807 292 P CB -0.058 31.436 31.700 -0.344 0.000 1.072 293 G N -0.198 108.543 108.800 -0.099 0.000 2.621 293 G HA2 0.075 4.035 3.960 -0.000 0.000 0.271 293 G HA3 0.075 4.035 3.960 -0.000 0.000 0.271 293 G C -0.253 174.644 174.900 -0.004 0.000 1.236 293 G CA -0.235 44.794 45.100 -0.118 0.000 0.958 293 G HN 0.317 nan 8.290 nan 0.000 0.512 294 H N -1.215 117.757 119.070 -0.165 0.000 2.592 294 H HA -0.179 4.377 4.556 -0.000 0.000 0.323 294 H C 0.767 176.048 175.328 -0.078 0.000 1.117 294 H CA 1.034 57.029 56.048 -0.088 0.000 1.120 294 H CB -1.796 27.955 29.762 -0.017 0.000 1.561 294 H HN 0.664 nan 8.280 nan 0.000 0.409 295 T N -3.109 111.397 114.554 -0.080 0.000 3.332 295 T HA 0.264 4.614 4.350 -0.000 0.000 0.304 295 T C 1.624 176.348 174.700 0.041 0.000 0.971 295 T CA -0.329 61.673 62.100 -0.163 0.000 0.954 295 T CB 0.161 68.731 68.868 -0.498 0.000 1.175 295 T HN 0.210 nan 8.240 nan 0.000 0.519 296 L N 1.996 123.241 121.223 0.036 0.000 2.127 296 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 296 L C 2.939 179.843 176.870 0.057 0.000 1.089 296 L CA 1.842 56.688 54.840 0.010 0.000 0.757 296 L CB -0.391 41.657 42.059 -0.020 0.000 0.899 296 L HN 0.536 nan 8.230 nan 0.000 0.434 297 S N -1.779 114.035 115.700 0.190 0.000 2.414 297 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 297 S C 1.560 176.254 174.600 0.158 0.000 1.022 297 S CA 0.206 58.508 58.200 0.170 0.000 0.958 297 S CB -0.657 62.682 63.200 0.231 0.000 0.797 297 S HN 0.425 nan 8.310 nan 0.000 0.493 298 W N 2.526 123.821 121.300 -0.009 0.000 2.363 298 W HA 0.230 4.890 4.660 -0.000 0.000 0.296 298 W C 2.576 178.898 176.519 -0.327 0.000 1.212 298 W CA 0.563 57.799 57.345 -0.182 0.000 1.260 298 W CB -1.130 28.278 29.460 -0.087 0.000 1.131 298 W HN 0.458 nan 8.180 nan 0.000 0.530 299 G N -0.147 108.612 108.800 -0.068 0.000 2.848 299 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.208 299 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.208 299 G C 1.578 176.299 174.900 -0.299 0.000 1.152 299 G CA 0.287 45.228 45.100 -0.266 0.000 0.789 299 G HN 0.023 nan 8.290 nan 0.000 0.531 300 K N 0.672 120.938 120.400 -0.222 0.000 2.076 300 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 300 K C 2.014 178.501 176.600 -0.189 0.000 1.051 300 K CA 1.046 57.217 56.287 -0.193 0.000 0.949 300 K CB -0.297 32.118 32.500 -0.142 0.000 0.726 300 K HN 0.198 nan 8.250 nan 0.000 0.443 301 G N 1.034 109.701 108.800 -0.221 0.000 3.936 301 G HA2 0.107 4.067 3.960 -0.000 0.000 0.296 301 G HA3 0.107 4.067 3.960 -0.000 0.000 0.296 301 G C -0.462 174.308 174.900 -0.216 0.000 1.121 301 G CA -0.029 44.957 45.100 -0.190 0.000 0.899 301 G HN 0.074 nan 8.290 nan 0.000 0.542 302 Q N 0.785 120.425 119.800 -0.266 0.000 2.526 302 Q HA 0.243 4.583 4.340 -0.000 0.000 0.238 302 Q C -0.343 175.475 176.000 -0.303 0.000 0.866 302 Q CA -0.450 55.151 55.803 -0.338 0.000 0.801 302 Q CB 0.809 29.210 28.738 -0.562 0.000 1.380 302 Q HN 0.204 nan 8.270 nan 0.000 0.446 303 K N 2.359 122.630 120.400 -0.215 0.000 2.485 303 K HA 0.017 4.337 4.320 -0.000 0.000 0.277 303 K C -0.201 176.289 176.600 -0.184 0.000 0.990 303 K CA 0.563 56.748 56.287 -0.169 0.000 0.994 303 K CB 0.392 32.834 32.500 -0.097 0.000 0.906 303 K HN 0.706 nan 8.250 nan 0.000 0.488 304 D N 0.586 120.898 120.400 -0.146 0.000 3.067 304 D HA -0.240 4.400 4.640 -0.000 0.000 0.216 304 D C 0.861 177.064 176.300 -0.162 0.000 1.162 304 D CA 0.854 54.789 54.000 -0.108 0.000 0.960 304 D CB -0.771 39.992 40.800 -0.063 0.000 1.129 304 D HN 0.424 nan 8.370 nan 0.000 0.408 305 L N 0.028 121.098 121.223 -0.256 0.000 2.056 305 L HA 0.013 4.353 4.340 -0.000 0.000 0.207 305 L C 1.127 177.857 176.870 -0.232 0.000 1.078 305 L CA 1.532 56.182 54.840 -0.317 0.000 0.749 305 L CB -0.005 41.777 42.059 -0.462 0.000 0.901 305 L HN 0.121 nan 8.230 nan 0.000 0.433 306 L N -0.684 120.412 121.223 -0.212 0.000 2.439 306 L HA 0.232 4.572 4.340 -0.000 0.000 0.259 306 L C 0.287 177.162 176.870 0.008 0.000 1.129 306 L CA -0.664 54.102 54.840 -0.123 0.000 0.803 306 L CB 0.901 42.856 42.059 -0.172 0.000 1.161 306 L HN -0.098 nan 8.230 nan 0.000 0.462 307 T N 2.327 116.924 114.554 0.072 0.000 2.779 307 T HA 0.215 4.565 4.350 -0.000 0.000 0.296 307 T C -2.382 172.364 174.700 0.076 0.000 0.938 307 T CA -0.938 61.219 62.100 0.096 0.000 1.119 307 T CB 0.654 69.659 68.868 0.230 0.000 0.891 307 T HN 0.270 nan 8.240 nan 0.000 0.526 308 P HA 0.215 nan 4.420 nan 0.000 0.276 308 P C -0.510 176.476 177.300 -0.524 0.000 1.230 308 P CA -0.594 62.330 63.100 -0.293 0.000 0.776 308 P CB 0.363 31.842 31.700 -0.369 0.000 0.888 309 c N 4.962 123.271 118.600 -0.484 0.000 2.158 309 c HA 0.238 4.808 4.570 -0.000 0.000 0.350 309 c C 0.063 173.992 174.090 -0.268 0.000 1.064 309 c CA -0.306 55.815 56.329 -0.347 0.000 1.507 309 c CB -2.279 40.084 42.510 -0.245 0.000 1.934 309 c HN 0.513 nan 8.230 nan 0.000 0.479 310 Y N 3.236 123.481 120.300 -0.093 0.000 2.637 310 Y HA 0.342 4.892 4.550 -0.000 0.000 0.350 310 Y C 1.075 176.937 175.900 -0.063 0.000 1.069 310 Y CA 0.205 58.262 58.100 -0.072 0.000 1.397 310 Y CB 0.333 38.771 38.460 -0.036 0.000 1.163 310 Y HN 0.641 nan 8.280 nan 0.000 0.527 318 S N 0.060 115.566 115.700 -0.324 0.000 2.751 318 S HA 0.918 5.388 4.470 -0.000 0.000 0.310 318 S C -0.690 173.564 174.600 -0.576 0.000 1.128 318 S CA -0.767 57.247 58.200 -0.310 0.000 0.931 318 S CB 1.344 64.454 63.200 -0.150 0.000 1.177 318 S HN 0.329 nan 8.310 nan 0.000 0.530 319 F N -1.083 118.797 119.950 -0.117 0.000 2.639 319 F HA 0.861 5.388 4.527 -0.000 0.000 0.339 319 F C 1.039 176.738 175.800 -0.169 0.000 1.071 319 F CA -0.278 57.638 58.000 -0.141 0.000 0.994 319 F CB 1.760 40.686 39.000 -0.123 0.000 1.341 319 F HN 0.991 nan 8.300 nan 0.000 0.498 320 G N -0.605 108.210 108.800 0.026 0.000 3.259 320 G HA2 0.625 4.585 3.960 -0.000 0.000 0.178 320 G HA3 0.625 4.585 3.960 -0.000 0.000 0.178 320 G C -2.992 171.800 174.900 -0.180 0.000 1.129 320 G CA -1.228 43.784 45.100 -0.147 0.000 0.816 320 G HN 0.291 nan 8.290 nan 0.000 0.634 321 P HA 0.309 nan 4.420 nan 0.000 0.274 321 P C -0.071 177.185 177.300 -0.074 0.000 1.260 321 P CA -0.459 62.471 63.100 -0.284 0.000 0.793 321 P CB 0.660 32.026 31.700 -0.556 0.000 1.048 322 I N 1.349 121.848 120.570 -0.119 0.000 2.683 322 I HA -0.062 4.108 4.170 -0.000 0.000 0.286 322 I C 1.297 177.414 176.117 0.000 0.000 1.175 322 I CA 0.207 61.423 61.300 -0.140 0.000 1.429 322 I CB -0.142 37.681 38.000 -0.295 0.000 1.371 322 I HN 0.339 nan 8.210 nan 0.000 0.569 323 N N 9.446 128.116 118.700 -0.050 0.000 2.438 323 N HA 0.045 4.785 4.740 -0.000 0.000 0.267 323 N C -1.966 173.403 175.510 -0.235 0.000 1.222 323 N CA -1.049 51.935 53.050 -0.109 0.000 0.930 323 N CB 0.986 39.410 38.487 -0.104 0.000 1.083 323 N HN 0.293 nan 8.380 nan 0.000 0.476 324 P HA 0.150 nan 4.420 nan 0.000 0.259 324 P C 0.628 177.845 177.300 -0.139 0.000 1.530 324 P CA 0.085 63.114 63.100 -0.119 0.000 1.022 324 P CB 0.113 31.730 31.700 -0.138 0.000 1.514 325 T N -3.689 110.655 114.554 -0.350 0.000 3.018 325 T HA 0.206 4.556 4.350 -0.000 0.000 0.246 325 T C 0.815 175.401 174.700 -0.191 0.000 1.026 325 T CA 0.071 61.784 62.100 -0.645 0.000 1.081 325 T CB -0.494 67.972 68.868 -0.670 0.000 0.970 325 T HN -0.073 nan 8.240 nan 0.000 0.475 326 L N 2.336 123.528 121.223 -0.050 0.000 2.453 326 L HA 0.399 4.739 4.340 -0.000 0.000 0.261 326 L C 1.387 178.380 176.870 0.206 0.000 1.179 326 L CA -0.811 54.061 54.840 0.054 0.000 0.813 326 L CB 0.401 42.462 42.059 0.003 0.000 1.110 326 L HN 0.123 nan 8.230 nan 0.000 0.466 327 N N 0.093 118.918 118.700 0.208 0.000 2.354 327 N HA -0.105 4.635 4.740 -0.000 0.000 0.179 327 N C 1.640 177.288 175.510 0.230 0.000 1.021 327 N CA 1.433 54.650 53.050 0.278 0.000 0.887 327 N CB -0.040 38.563 38.487 0.193 0.000 0.974 327 N HN 0.795 nan 8.380 nan 0.000 0.437 328 T N -1.666 112.965 114.554 0.128 0.000 2.881 328 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 328 T C 2.005 176.738 174.700 0.055 0.000 1.068 328 T CA 1.662 63.813 62.100 0.085 0.000 1.131 328 T CB -0.545 68.339 68.868 0.026 0.000 0.871 328 T HN 0.101 nan 8.240 nan 0.000 0.479 329 T N 0.002 114.537 114.554 -0.033 0.000 2.857 329 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 329 T C 1.490 176.162 174.700 -0.046 0.000 1.048 329 T CA 0.864 62.876 62.100 -0.147 0.000 1.139 329 T CB -0.485 68.161 68.868 -0.370 0.000 0.874 329 T HN 0.573 nan 8.240 nan 0.000 0.455 330 Y N 1.656 122.080 120.300 0.207 0.000 2.269 330 Y HA 0.110 4.660 4.550 -0.000 0.000 0.294 330 Y C 3.117 179.124 175.900 0.177 0.000 1.120 330 Y CA 0.989 59.199 58.100 0.184 0.000 1.159 330 Y CB -0.580 37.956 38.460 0.127 0.000 1.024 330 Y HN 0.329 nan 8.280 nan 0.000 0.532 331 S N 0.104 115.992 115.700 0.313 0.000 2.399 331 S HA -0.263 4.207 4.470 -0.000 0.000 0.231 331 S C 1.916 176.671 174.600 0.258 0.000 1.022 331 S CA 1.210 59.557 58.200 0.245 0.000 0.983 331 S CB -1.237 62.089 63.200 0.211 0.000 0.803 331 S HN 0.472 nan 8.310 nan 0.000 0.480 332 F N 2.556 122.563 119.950 0.095 0.000 2.084 332 F HA 0.119 4.646 4.527 -0.000 0.000 0.296 332 F C 1.903 177.749 175.800 0.076 0.000 1.111 332 F CA 1.188 59.191 58.000 0.005 0.000 1.224 332 F CB -0.481 38.408 39.000 -0.185 0.000 0.991 332 F HN 0.120 nan 8.300 nan 0.000 0.471 333 L N 0.003 121.234 121.223 0.015 0.000 2.191 333 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 333 L C 2.278 179.259 176.870 0.185 0.000 1.103 333 L CA 1.570 56.418 54.840 0.013 0.000 0.769 333 L CB -1.072 41.173 42.059 0.311 0.000 0.908 333 L HN 0.250 nan 8.230 nan 0.000 0.438 334 T N -1.328 113.338 114.554 0.187 0.000 2.643 334 T HA -0.184 4.166 4.350 -0.000 0.000 0.264 334 T C 1.854 176.637 174.700 0.139 0.000 1.045 334 T CA 2.013 64.222 62.100 0.181 0.000 1.155 334 T CB -0.527 68.435 68.868 0.155 0.000 0.863 334 T HN 0.512 nan 8.240 nan 0.000 0.420 335 T N -0.281 114.354 114.554 0.136 0.000 3.113 335 T HA 0.054 4.404 4.350 -0.000 0.000 0.263 335 T C 1.525 176.318 174.700 0.154 0.000 1.143 335 T CA 0.317 62.503 62.100 0.144 0.000 1.090 335 T CB -0.533 68.458 68.868 0.204 0.000 0.922 335 T HN 0.330 nan 8.240 nan 0.000 0.521 336 F N 0.526 120.393 119.950 -0.138 0.000 2.274 336 F HA 0.315 4.842 4.527 -0.000 0.000 0.288 336 F C 1.505 177.112 175.800 -0.321 0.000 1.069 336 F CA -0.203 57.606 58.000 -0.320 0.000 1.343 336 F CB -0.100 38.382 39.000 -0.864 0.000 1.089 336 F HN 0.075 nan 8.300 nan 0.000 0.517 337 F N 1.062 120.921 119.950 -0.151 0.000 2.234 337 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 337 F C 2.378 178.049 175.800 -0.214 0.000 1.087 337 F CA 1.075 58.929 58.000 -0.243 0.000 1.340 337 F CB -0.699 38.258 39.000 -0.072 0.000 1.031 337 F HN -0.122 nan 8.300 nan 0.000 0.500 338 K N 0.752 121.177 120.400 0.041 0.000 2.283 338 K HA -0.192 4.128 4.320 -0.000 0.000 0.202 338 K C 2.014 178.583 176.600 -0.052 0.000 1.048 338 K CA 0.997 57.286 56.287 0.002 0.000 0.948 338 K CB -0.153 32.359 32.500 0.020 0.000 0.742 338 K HN 0.395 nan 8.250 nan 0.000 0.458 339 E N 0.251 120.374 120.200 -0.129 0.000 2.076 339 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 339 E C 1.789 178.304 176.600 -0.142 0.000 0.979 339 E CA 0.444 56.758 56.400 -0.143 0.000 0.807 339 E CB 0.183 29.770 29.700 -0.187 0.000 0.761 339 E HN 0.095 nan 8.360 nan 0.000 0.454 340 I N 1.521 121.926 120.570 -0.275 0.000 2.394 340 I HA -0.174 3.996 4.170 -0.000 0.000 0.251 340 I C 2.284 178.420 176.117 0.032 0.000 1.136 340 I CA 0.864 62.062 61.300 -0.170 0.000 1.425 340 I CB -1.274 36.449 38.000 -0.461 0.000 1.079 340 I HN 0.052 nan 8.210 nan 0.000 0.425 341 S N 0.743 116.437 115.700 -0.010 0.000 2.368 341 S HA -0.182 4.287 4.470 -0.000 0.000 0.225 341 S C 1.756 176.358 174.600 0.003 0.000 1.030 341 S CA 1.264 59.466 58.200 0.003 0.000 0.999 341 S CB -0.277 62.914 63.200 -0.015 0.000 0.844 341 S HN 0.543 nan 8.310 nan 0.000 0.459 342 E N 0.142 120.336 120.200 -0.009 0.000 2.442 342 E HA 0.087 4.437 4.350 -0.000 0.000 0.195 342 E C 1.565 178.147 176.600 -0.029 0.000 1.030 342 E CA 0.093 56.483 56.400 -0.018 0.000 0.869 342 E CB 0.187 29.876 29.700 -0.019 0.000 0.857 342 E HN 0.255 nan 8.360 nan 0.000 0.505 343 V N 0.088 119.997 119.914 -0.008 0.000 2.492 343 V HA 0.003 4.123 4.120 -0.000 0.000 0.241 343 V C 0.404 176.358 176.094 -0.232 0.000 1.041 343 V CA 0.854 63.106 62.300 -0.080 0.000 1.057 343 V CB 0.060 31.892 31.823 0.015 0.000 0.711 343 V HN 0.088 nan 8.190 nan 0.000 0.468 344 F N 2.022 121.926 119.950 -0.077 0.000 2.361 344 F HA 0.388 4.915 4.527 -0.000 0.000 0.364 344 F C -1.230 174.468 175.800 -0.170 0.000 1.120 344 F CA -2.012 55.929 58.000 -0.098 0.000 1.102 344 F CB 1.260 40.237 39.000 -0.038 0.000 1.183 344 F HN 0.047 nan 8.300 nan 0.000 0.476 345 P HA -0.136 nan 4.420 nan 0.000 0.225 345 P C 0.208 177.387 177.300 -0.202 0.000 1.156 345 P CA 0.739 63.612 63.100 -0.378 0.000 0.787 345 P CB 0.264 31.256 31.700 -1.180 0.000 0.802 346 D N 0.461 120.804 120.400 -0.094 0.000 2.443 346 D HA -0.029 4.611 4.640 -0.000 0.000 0.239 346 D C 1.158 177.465 176.300 0.012 0.000 1.136 346 D CA 0.278 54.285 54.000 0.012 0.000 0.879 346 D CB 1.019 41.871 40.800 0.087 0.000 1.195 346 D HN 0.081 nan 8.370 nan 0.000 0.443 347 Q N 1.953 121.752 119.800 -0.002 0.000 2.167 347 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 347 Q C 0.064 175.881 176.000 -0.305 0.000 0.970 347 Q CA 0.868 56.569 55.803 -0.170 0.000 0.855 347 Q CB 0.133 28.716 28.738 -0.258 0.000 0.911 347 Q HN 0.439 nan 8.270 nan 0.000 0.438 348 F N 0.260 120.192 119.950 -0.030 0.000 2.404 348 F HA 0.397 4.924 4.527 -0.000 0.000 0.339 348 F C -0.011 175.748 175.800 -0.068 0.000 1.105 348 F CA -0.648 57.317 58.000 -0.057 0.000 1.087 348 F CB 0.974 39.944 39.000 -0.051 0.000 1.143 348 F HN -0.147 nan 8.300 nan 0.000 0.491 349 I N 2.603 123.210 120.570 0.062 0.000 2.439 349 I HA 0.171 4.341 4.170 -0.000 0.000 0.285 349 I C -0.608 175.517 176.117 0.014 0.000 1.021 349 I CA -0.674 60.635 61.300 0.014 0.000 1.091 349 I CB 1.559 39.546 38.000 -0.021 0.000 1.242 349 I HN 0.577 nan 8.210 nan 0.000 0.439 350 H N 5.855 124.878 119.070 -0.078 0.000 2.899 350 H HA 0.212 4.768 4.556 -0.000 0.000 0.303 350 H C 0.574 175.929 175.328 0.045 0.000 1.042 350 H CA 0.249 56.236 56.048 -0.103 0.000 1.479 350 H CB 1.001 30.598 29.762 -0.275 0.000 1.493 350 H HN 0.585 nan 8.280 nan 0.000 0.534 351 L N 4.153 125.390 121.223 0.023 0.000 2.249 351 L HA 0.179 4.519 4.340 -0.000 0.000 0.207 351 L C 1.822 178.913 176.870 0.369 0.000 1.090 351 L CA 0.664 55.618 54.840 0.191 0.000 0.802 351 L CB -0.371 41.708 42.059 0.033 0.000 0.947 351 L HN 1.042 nan 8.230 nan 0.000 0.453 352 G N 0.005 109.084 108.800 0.465 0.000 2.833 352 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.260 352 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.260 352 G C 0.642 175.954 174.900 0.685 0.000 1.412 352 G CA -0.156 45.396 45.100 0.753 0.000 0.986 352 G HN 0.855 nan 8.290 nan 0.000 0.556 353 G N 0.749 109.831 108.800 0.471 0.000 2.385 353 G HA2 0.334 4.294 3.960 -0.000 0.000 0.294 353 G HA3 0.334 4.294 3.960 -0.000 0.000 0.294 353 G C -0.200 174.909 174.900 0.349 0.000 1.070 353 G CA 1.433 46.752 45.100 0.365 0.000 1.172 353 G HN 2.209 nan 8.290 nan 0.000 0.516 354 D N -0.784 119.733 120.400 0.195 0.000 2.645 354 D HA 0.496 5.136 4.640 -0.000 0.000 0.228 354 D C 0.548 176.857 176.300 0.015 0.000 1.148 354 D CA -0.518 53.525 54.000 0.071 0.000 0.860 354 D CB 0.734 41.319 40.800 -0.358 0.000 1.548 354 D HN 0.412 nan 8.370 nan 0.000 0.460 355 E N -0.841 119.393 120.200 0.056 0.000 3.170 355 E HA -0.163 4.187 4.350 -0.000 0.000 0.284 355 E C -0.157 176.332 176.600 -0.185 0.000 0.967 355 E CA 0.514 56.903 56.400 -0.018 0.000 0.919 355 E CB -1.561 28.134 29.700 -0.008 0.000 1.469 355 E HN 0.397 nan 8.360 nan 0.000 0.444 356 V N 1.322 121.094 119.914 -0.237 0.000 2.557 356 V HA -0.052 4.068 4.120 -0.000 0.000 0.301 356 V C 0.921 176.467 176.094 -0.913 0.000 1.026 356 V CA 0.949 62.949 62.300 -0.499 0.000 1.137 356 V CB 0.579 32.157 31.823 -0.408 0.000 0.917 356 V HN 0.125 nan 8.190 nan 0.000 0.484 357 E N 3.269 122.955 120.200 -0.856 0.000 2.146 357 E HA 0.339 4.689 4.350 -0.000 0.000 0.282 357 E C -0.460 175.560 176.600 -0.967 0.000 0.989 357 E CA -0.349 55.562 56.400 -0.815 0.000 0.799 357 E CB 1.010 30.403 29.700 -0.512 0.000 1.088 357 E HN 0.650 nan 8.360 nan 0.000 0.397 358 F N 1.885 121.581 119.950 -0.423 0.000 2.727 358 F HA 0.153 4.680 4.527 -0.000 0.000 0.302 358 F C 1.624 177.159 175.800 -0.441 0.000 1.097 358 F CA -0.098 57.611 58.000 -0.485 0.000 1.330 358 F CB 0.013 38.847 39.000 -0.276 0.000 1.084 358 F HN 0.251 nan 8.300 nan 0.000 0.578 359 K N -0.335 119.930 120.400 -0.225 0.000 2.209 359 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 359 K C 2.140 178.636 176.600 -0.173 0.000 1.048 359 K CA 0.851 57.038 56.287 -0.167 0.000 0.940 359 K CB -0.662 31.752 32.500 -0.143 0.000 0.729 359 K HN 0.349 nan 8.250 nan 0.000 0.451 360 c N -0.644 117.809 118.600 -0.245 0.000 2.522 360 c HA -0.020 4.550 4.570 -0.000 0.000 0.280 360 c C 1.882 175.943 174.090 -0.048 0.000 1.303 360 c CA -0.017 56.201 56.329 -0.184 0.000 1.709 360 c CB -0.811 41.549 42.510 -0.251 0.000 2.071 360 c HN 0.602 nan 8.230 nan 0.000 0.492 361 W N 1.104 122.288 121.300 -0.193 0.000 2.374 361 W HA -0.040 4.620 4.660 -0.000 0.000 0.288 361 W C 2.471 178.849 176.519 -0.235 0.000 1.218 361 W CA 0.951 58.187 57.345 -0.182 0.000 1.245 361 W CB -1.340 28.017 29.460 -0.171 0.000 1.126 361 W HN 0.470 nan 8.180 nan 0.000 0.545 362 E N 0.244 120.315 120.200 -0.215 0.000 2.058 362 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 362 E C 0.559 177.212 176.600 0.087 0.000 0.997 362 E CA 1.225 57.515 56.400 -0.183 0.000 0.801 362 E CB -0.239 29.339 29.700 -0.204 0.000 0.746 362 E HN -0.013 nan 8.360 nan 0.000 0.450 363 S N 0.955 116.697 115.700 0.070 0.000 2.945 363 S HA 0.196 4.666 4.470 -0.000 0.000 0.227 363 S C -0.247 174.492 174.600 0.233 0.000 1.353 363 S CA -0.277 58.000 58.200 0.130 0.000 1.236 363 S CB -0.494 62.760 63.200 0.091 0.000 1.069 363 S HN 0.198 nan 8.310 nan 0.000 0.509 364 N N 1.659 120.510 118.700 0.251 0.000 2.594 364 N HA 0.204 4.944 4.740 -0.000 0.000 0.280 364 N C -2.433 173.238 175.510 0.269 0.000 1.156 364 N CA -1.743 51.512 53.050 0.341 0.000 0.831 364 N CB 1.554 40.156 38.487 0.191 0.000 1.379 364 N HN -0.020 nan 8.380 nan 0.000 0.536 365 P HA -0.113 nan 4.420 nan 0.000 0.221 365 P C 0.854 178.240 177.300 0.144 0.000 1.150 365 P CA 0.800 63.990 63.100 0.150 0.000 0.800 365 P CB 0.363 32.112 31.700 0.082 0.000 0.787 366 K N -0.157 120.344 120.400 0.169 0.000 2.209 366 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 366 K C 2.096 178.774 176.600 0.130 0.000 1.048 366 K CA 0.905 57.276 56.287 0.139 0.000 0.940 366 K CB -0.565 32.024 32.500 0.149 0.000 0.729 366 K HN 0.335 nan 8.250 nan 0.000 0.451 367 I N 0.289 120.944 120.570 0.143 0.000 2.731 367 I HA -0.149 4.021 4.170 -0.000 0.000 0.260 367 I C 2.141 178.385 176.117 0.212 0.000 1.138 367 I CA 0.460 61.841 61.300 0.134 0.000 1.461 367 I CB -0.128 37.922 38.000 0.084 0.000 1.128 367 I HN 0.097 nan 8.210 nan 0.000 0.438 368 Q N 0.641 120.567 119.800 0.210 0.000 2.226 368 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 368 Q C 1.534 177.599 176.000 0.108 0.000 0.975 368 Q CA 1.258 57.170 55.803 0.182 0.000 0.866 368 Q CB -0.027 28.814 28.738 0.171 0.000 0.915 368 Q HN 0.450 nan 8.270 nan 0.000 0.440 369 D N -0.199 120.266 120.400 0.108 0.000 2.123 369 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 369 D C 1.433 177.762 176.300 0.048 0.000 0.976 369 D CA 0.710 54.748 54.000 0.064 0.000 0.831 369 D CB -0.044 40.799 40.800 0.072 0.000 0.974 369 D HN 0.159 nan 8.370 nan 0.000 0.469 370 F N 1.211 121.133 119.950 -0.048 0.000 2.269 370 F HA -0.171 4.356 4.527 -0.000 0.000 0.301 370 F C 2.224 177.931 175.800 -0.155 0.000 1.082 370 F CA 0.901 58.839 58.000 -0.103 0.000 1.360 370 F CB -0.018 38.927 39.000 -0.091 0.000 1.041 370 F HN -0.137 nan 8.300 nan 0.000 0.512 371 M N -0.173 119.438 119.600 0.017 0.000 2.213 371 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 371 M C 2.075 178.237 176.300 -0.229 0.000 1.062 371 M CA 1.529 56.779 55.300 -0.085 0.000 1.105 371 M CB -1.088 31.490 32.600 -0.038 0.000 1.385 371 M HN 0.182 nan 8.290 nan 0.000 0.417 372 R N -0.275 120.111 120.500 -0.190 0.000 2.055 372 R HA -0.073 4.267 4.340 -0.000 0.000 0.226 372 R C 2.082 178.213 176.300 -0.283 0.000 1.135 372 R CA 0.869 56.853 56.100 -0.193 0.000 0.959 372 R CB -0.380 29.851 30.300 -0.115 0.000 0.854 372 R HN 0.231 nan 8.270 nan 0.000 0.431 373 Q N 0.513 120.119 119.800 -0.324 0.000 2.437 373 Q HA -0.029 4.311 4.340 -0.000 0.000 0.210 373 Q C 0.951 176.627 176.000 -0.541 0.000 0.972 373 Q CA 1.203 56.786 55.803 -0.366 0.000 0.903 373 Q CB 0.382 28.930 28.738 -0.317 0.000 0.967 373 Q HN 0.072 nan 8.270 nan 0.000 0.486 374 K N -2.104 117.833 120.400 -0.771 0.000 2.402 374 K HA 0.281 4.601 4.320 -0.000 0.000 0.204 374 K C 0.668 176.620 176.600 -1.080 0.000 1.056 374 K CA 0.583 56.229 56.287 -1.070 0.000 1.069 374 K CB 1.078 32.583 32.500 -1.659 0.000 0.888 374 K HN 0.154 nan 8.250 nan 0.000 0.546 375 G N 2.082 110.484 108.800 -0.664 0.000 2.179 375 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 375 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 375 G C 0.456 175.196 174.900 -0.267 0.000 1.010 375 G CA 0.203 45.068 45.100 -0.391 0.000 0.736 375 G HN 0.213 nan 8.290 nan 0.000 0.513 376 F N 0.654 120.494 119.950 -0.184 0.000 2.661 376 F HA 0.328 4.855 4.527 -0.000 0.000 0.298 376 F C 2.372 178.048 175.800 -0.207 0.000 1.137 376 F CA 0.919 58.811 58.000 -0.180 0.000 1.454 376 F CB -0.582 38.300 39.000 -0.197 0.000 1.103 376 F HN 0.823 nan 8.300 nan 0.000 0.577 377 G N 0.826 109.593 108.800 -0.056 0.000 2.595 377 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.297 377 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.297 377 G C 0.879 175.672 174.900 -0.179 0.000 1.181 377 G CA 0.950 45.992 45.100 -0.097 0.000 0.963 377 G HN 0.537 nan 8.290 nan 0.000 0.541 378 T N -2.352 112.086 114.554 -0.194 0.000 3.275 378 T HA 0.516 4.866 4.350 -0.000 0.000 0.298 378 T C -0.421 174.102 174.700 -0.296 0.000 0.988 378 T CA 0.840 62.776 62.100 -0.272 0.000 0.936 378 T CB 0.732 69.561 68.868 -0.066 0.000 1.159 378 T HN 0.369 nan 8.240 nan 0.000 0.519 379 D N 1.116 121.338 120.400 -0.297 0.000 2.454 379 D HA 0.462 5.102 4.640 -0.000 0.000 0.225 379 D C -0.031 176.080 176.300 -0.315 0.000 1.081 379 D CA -0.647 53.223 54.000 -0.216 0.000 0.864 379 D CB 0.586 41.317 40.800 -0.115 0.000 1.040 379 D HN 0.167 nan 8.370 nan 0.000 0.517 380 F N 1.195 121.011 119.950 -0.223 0.000 2.748 380 F HA 0.049 4.576 4.527 -0.000 0.000 0.299 380 F C 1.936 177.476 175.800 -0.433 0.000 1.154 380 F CA 0.442 58.268 58.000 -0.290 0.000 1.446 380 F CB -0.020 38.802 39.000 -0.296 0.000 1.112 380 F HN 0.156 nan 8.300 nan 0.000 0.584 381 K N 0.398 120.623 120.400 -0.291 0.000 2.211 381 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 381 K C 1.877 178.418 176.600 -0.099 0.000 1.050 381 K CA 0.942 57.133 56.287 -0.161 0.000 0.945 381 K CB -0.076 32.366 32.500 -0.097 0.000 0.732 381 K HN 0.188 nan 8.250 nan 0.000 0.451 382 K N 0.467 120.732 120.400 -0.225 0.000 2.103 382 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 382 K C 2.009 178.290 176.600 -0.531 0.000 1.052 382 K CA 0.746 56.780 56.287 -0.421 0.000 0.945 382 K CB -0.088 32.030 32.500 -0.636 0.000 0.722 382 K HN 0.029 nan 8.250 nan 0.000 0.443 383 L N 1.729 122.725 121.223 -0.378 0.000 2.141 383 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 383 L C 2.289 179.248 176.870 0.148 0.000 1.094 383 L CA 1.656 56.429 54.840 -0.112 0.000 0.763 383 L CB -0.203 41.865 42.059 0.015 0.000 0.908 383 L HN 0.116 nan 8.230 nan 0.000 0.437 384 E N -0.689 119.670 120.200 0.266 0.000 2.106 384 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 384 E C 2.105 178.911 176.600 0.343 0.000 0.984 384 E CA 1.320 58.000 56.400 0.468 0.000 0.806 384 E CB 0.104 30.136 29.700 0.552 0.000 0.750 384 E HN 0.539 nan 8.360 nan 0.000 0.458 385 S N 0.301 116.109 115.700 0.181 0.000 2.383 385 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 385 S C 1.631 176.320 174.600 0.149 0.000 1.026 385 S CA 0.795 59.070 58.200 0.125 0.000 0.981 385 S CB -0.424 62.792 63.200 0.027 0.000 0.818 385 S HN 0.339 nan 8.310 nan 0.000 0.472 386 F N 1.228 121.185 119.950 0.012 0.000 2.134 386 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 386 F C 2.120 178.028 175.800 0.179 0.000 1.097 386 F CA 1.429 59.485 58.000 0.093 0.000 1.264 386 F CB -0.432 38.661 39.000 0.155 0.000 1.001 386 F HN 0.253 nan 8.300 nan 0.000 0.479 387 Y N 0.096 120.565 120.300 0.281 0.000 2.153 387 Y HA -0.163 4.387 4.550 -0.000 0.000 0.289 387 Y C 2.222 178.229 175.900 0.178 0.000 1.127 387 Y CA 1.874 60.145 58.100 0.284 0.000 1.131 387 Y CB -0.727 37.925 38.460 0.321 0.000 0.995 387 Y HN 0.133 nan 8.280 nan 0.000 0.505 388 I N 0.709 121.365 120.570 0.143 0.000 2.315 388 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 388 I C 2.241 178.303 176.117 -0.092 0.000 1.117 388 I CA 1.574 62.882 61.300 0.012 0.000 1.404 388 I CB -0.543 37.558 38.000 0.168 0.000 1.071 388 I HN 0.367 nan 8.210 nan 0.000 0.419 389 Q N 0.039 119.790 119.800 -0.080 0.000 2.020 389 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 389 Q C 2.227 178.113 176.000 -0.190 0.000 0.982 389 Q CA 1.518 57.250 55.803 -0.118 0.000 0.838 389 Q CB -0.203 28.472 28.738 -0.105 0.000 0.899 389 Q HN 0.328 nan 8.270 nan 0.000 0.423 390 K N 0.056 120.283 120.400 -0.289 0.000 2.160 390 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 390 K C 1.963 178.441 176.600 -0.203 0.000 1.047 390 K CA 1.096 57.189 56.287 -0.324 0.000 0.930 390 K CB -0.124 32.052 32.500 -0.540 0.000 0.720 390 K HN 0.131 nan 8.250 nan 0.000 0.450 391 V N 1.264 121.043 119.914 -0.225 0.000 2.535 391 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 391 V C 2.320 178.279 176.094 -0.225 0.000 1.045 391 V CA 0.936 63.114 62.300 -0.204 0.000 1.058 391 V CB -0.326 31.329 31.823 -0.281 0.000 0.689 391 V HN 0.179 nan 8.190 nan 0.000 0.461 392 L N 0.064 121.172 121.223 -0.192 0.000 2.079 392 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 392 L C 2.326 179.108 176.870 -0.146 0.000 1.081 392 L CA 1.560 56.300 54.840 -0.166 0.000 0.752 392 L CB -0.739 41.249 42.059 -0.118 0.000 0.896 392 L HN 0.327 nan 8.230 nan 0.000 0.433 393 D N 0.242 120.563 120.400 -0.132 0.000 2.123 393 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 393 D C 2.234 178.475 176.300 -0.098 0.000 0.992 393 D CA 1.311 55.247 54.000 -0.106 0.000 0.833 393 D CB -0.166 40.568 40.800 -0.110 0.000 0.954 393 D HN 0.317 nan 8.370 nan 0.000 0.455 394 I N 0.766 121.272 120.570 -0.107 0.000 2.179 394 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 394 I C 2.063 178.104 176.117 -0.126 0.000 1.088 394 I CA 0.637 61.889 61.300 -0.080 0.000 1.357 394 I CB -0.208 37.775 38.000 -0.028 0.000 1.051 394 I HN 0.003 nan 8.210 nan 0.000 0.409 395 I N 1.168 121.611 120.570 -0.213 0.000 2.315 395 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 395 I C 2.831 178.854 176.117 -0.156 0.000 1.117 395 I CA 1.563 62.727 61.300 -0.227 0.000 1.404 395 I CB -1.769 36.059 38.000 -0.288 0.000 1.071 395 I HN 0.166 nan 8.210 nan 0.000 0.419 396 A N 0.700 123.442 122.820 -0.129 0.000 1.969 396 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 396 A C 2.353 179.892 177.584 -0.076 0.000 1.169 396 A CA 1.988 53.967 52.037 -0.097 0.000 0.635 396 A CB -0.989 17.965 19.000 -0.076 0.000 0.810 396 A HN 0.427 nan 8.150 nan 0.000 0.445 397 T N 0.705 115.219 114.554 -0.067 0.000 2.995 397 T HA 0.016 4.366 4.350 -0.000 0.000 0.269 397 T C 1.375 176.051 174.700 -0.041 0.000 1.091 397 T CA 1.227 63.300 62.100 -0.045 0.000 1.128 397 T CB -0.417 68.432 68.868 -0.032 0.000 0.891 397 T HN 0.714 nan 8.240 nan 0.000 0.492 398 I N -1.517 119.021 120.570 -0.054 0.000 3.884 398 I HA 0.350 4.520 4.170 -0.000 0.000 0.330 398 I C -0.629 175.450 176.117 -0.062 0.000 1.451 398 I CA -0.539 60.733 61.300 -0.047 0.000 1.165 398 I CB -0.447 37.530 38.000 -0.039 0.000 1.097 398 I HN -0.097 nan 8.210 nan 0.000 0.404 399 N N 2.894 121.551 118.700 -0.072 0.000 2.696 399 N HA -0.147 4.593 4.740 -0.000 0.000 0.256 399 N C -0.764 174.674 175.510 -0.122 0.000 1.031 399 N CA 1.008 54.009 53.050 -0.083 0.000 0.730 399 N CB -0.633 37.821 38.487 -0.056 0.000 0.894 399 N HN 0.606 nan 8.380 nan 0.000 0.544 400 K N -0.568 119.734 120.400 -0.164 0.000 2.512 400 K HA 0.665 4.985 4.320 -0.000 0.000 0.263 400 K C 0.666 177.062 176.600 -0.340 0.000 0.966 400 K CA -0.505 55.639 56.287 -0.239 0.000 0.851 400 K CB 1.989 34.378 32.500 -0.185 0.000 1.395 400 K HN 0.151 nan 8.250 nan 0.000 0.440 401 G N 0.153 108.590 108.800 -0.606 0.000 2.502 401 G HA2 0.465 4.425 3.960 -0.000 0.000 0.305 401 G HA3 0.465 4.425 3.960 -0.000 0.000 0.305 401 G C -0.869 173.874 174.900 -0.261 0.000 1.190 401 G CA -0.306 44.319 45.100 -0.792 0.000 0.933 401 G HN 0.325 nan 8.290 nan 0.000 0.503 402 S N -0.329 115.411 115.700 0.066 0.000 2.647 402 S HA 0.478 4.948 4.470 -0.000 0.000 0.300 402 S C -0.515 174.113 174.600 0.046 0.000 1.129 402 S CA -0.345 57.876 58.200 0.035 0.000 1.029 402 S CB 1.230 64.372 63.200 -0.096 0.000 1.007 402 S HN 0.487 nan 8.310 nan 0.000 0.484 403 I N 2.697 123.194 120.570 -0.122 0.000 2.404 403 I HA 0.658 4.828 4.170 -0.000 0.000 0.293 403 I C -0.542 175.099 176.117 -0.793 0.000 0.992 403 I CA -0.961 60.111 61.300 -0.380 0.000 1.149 403 I CB 1.715 39.498 38.000 -0.361 0.000 1.315 403 I HN 0.313 nan 8.210 nan 0.000 0.446 404 V N 6.057 125.607 119.914 -0.607 0.000 2.925 404 V HA 0.456 4.576 4.120 -0.000 0.000 0.311 404 V C -1.053 174.928 176.094 -0.187 0.000 1.104 404 V CA -0.531 61.488 62.300 -0.468 0.000 0.954 404 V CB 2.330 34.050 31.823 -0.171 0.000 1.022 404 V HN 0.706 nan 8.190 nan 0.000 0.427 405 W N 2.527 123.950 121.300 0.207 0.000 2.034 405 W HA 0.230 4.890 4.660 -0.000 0.000 0.357 405 W C 1.691 178.399 176.519 0.315 0.000 1.326 405 W CA 0.605 58.170 57.345 0.367 0.000 1.318 405 W CB 0.434 30.141 29.460 0.412 0.000 1.193 405 W HN 0.747 nan 8.180 nan 0.000 0.620 406 Q N -0.404 119.817 119.800 0.702 0.000 2.297 406 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 406 Q C 1.296 177.509 176.000 0.354 0.000 0.962 406 Q CA 1.606 57.651 55.803 0.404 0.000 0.879 406 Q CB -0.161 28.719 28.738 0.236 0.000 0.947 406 Q HN 0.568 nan 8.270 nan 0.000 0.462 407 E N 0.787 121.232 120.200 0.409 0.000 2.110 407 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 407 E C 1.940 178.703 176.600 0.271 0.000 0.988 407 E CA 1.402 57.987 56.400 0.308 0.000 0.804 407 E CB -0.024 29.873 29.700 0.329 0.000 0.745 407 E HN 0.202 nan 8.360 nan 0.000 0.458 408 V N 0.374 120.464 119.914 0.294 0.000 2.295 408 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 408 V C 1.929 178.140 176.094 0.195 0.000 1.049 408 V CA 1.838 64.280 62.300 0.236 0.000 1.024 408 V CB -0.460 31.490 31.823 0.211 0.000 0.648 408 V HN 0.307 nan 8.190 nan 0.000 0.447 409 F N 1.463 121.451 119.950 0.063 0.000 2.171 409 F HA -0.168 4.359 4.527 -0.000 0.000 0.300 409 F C 2.121 177.959 175.800 0.063 0.000 1.090 409 F CA 1.849 59.864 58.000 0.026 0.000 1.293 409 F CB -0.358 38.640 39.000 -0.003 0.000 1.013 409 F HN 0.241 nan 8.300 nan 0.000 0.486 410 D N 0.001 120.388 120.400 -0.022 0.000 2.269 410 D HA -0.126 4.514 4.640 -0.000 0.000 0.208 410 D C 1.393 177.650 176.300 -0.072 0.000 0.963 410 D CA 1.049 54.987 54.000 -0.104 0.000 0.864 410 D CB -0.401 40.422 40.800 0.038 0.000 0.936 410 D HN 0.357 nan 8.370 nan 0.000 0.505 411 D N 0.673 121.079 120.400 0.010 0.000 2.378 411 D HA -0.049 4.591 4.640 -0.000 0.000 0.227 411 D C 0.411 176.692 176.300 -0.031 0.000 1.012 411 D CA 0.314 54.334 54.000 0.033 0.000 0.905 411 D CB 0.143 41.020 40.800 0.128 0.000 0.895 411 D HN -0.034 nan 8.370 nan 0.000 0.532 412 K N -1.017 119.315 120.400 -0.113 0.000 3.161 412 K HA -0.160 4.160 4.320 -0.000 0.000 0.270 412 K C -0.099 176.479 176.600 -0.037 0.000 1.115 412 K CA 0.600 56.807 56.287 -0.132 0.000 0.789 412 K CB -2.364 30.071 32.500 -0.109 0.000 1.256 412 K HN 0.260 nan 8.250 nan 0.000 0.492 413 A N 0.802 123.623 122.820 0.002 0.000 2.286 413 A HA 0.527 4.847 4.320 -0.000 0.000 0.286 413 A C 0.218 177.846 177.584 0.073 0.000 1.097 413 A CA -0.297 51.766 52.037 0.043 0.000 0.821 413 A CB 0.719 19.756 19.000 0.063 0.000 1.076 413 A HN 0.160 nan 8.150 nan 0.000 0.490 414 K N 0.732 121.178 120.400 0.078 0.000 2.211 414 K HA 0.599 4.918 4.320 -0.000 0.000 0.275 414 K C -1.150 175.506 176.600 0.094 0.000 1.024 414 K CA 0.064 56.426 56.287 0.124 0.000 0.887 414 K CB 0.364 32.935 32.500 0.118 0.000 1.084 414 K HN 0.548 nan 8.250 nan 0.000 0.463 415 L N 2.647 123.946 121.223 0.127 0.000 2.331 415 L HA 0.662 5.002 4.340 -0.000 0.000 0.275 415 L C 0.200 177.195 176.870 0.209 0.000 1.022 415 L CA -1.550 53.290 54.840 -0.000 0.000 0.812 415 L CB 1.845 43.626 42.059 -0.463 0.000 1.257 415 L HN 0.612 nan 8.230 nan 0.000 0.435 416 A N 2.999 125.889 122.820 0.117 0.000 2.498 416 A HA 0.363 4.683 4.320 -0.000 0.000 0.239 416 A C -2.129 175.604 177.584 0.248 0.000 1.068 416 A CA -1.041 51.081 52.037 0.140 0.000 0.766 416 A CB -0.621 18.407 19.000 0.048 0.000 1.003 416 A HN 0.511 nan 8.150 nan 0.000 0.497 417 P HA 0.113 nan 4.420 nan 0.000 0.252 417 P C 0.704 178.093 177.300 0.148 0.000 1.183 417 P CA 1.671 64.860 63.100 0.147 0.000 0.973 417 P CB -0.151 31.584 31.700 0.058 0.000 0.990 418 G N 1.843 110.781 108.800 0.229 0.000 2.164 418 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.154 418 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.154 418 G C 0.031 175.068 174.900 0.229 0.000 1.014 418 G CA -0.540 44.682 45.100 0.204 0.000 0.683 418 G HN 0.471 nan 8.290 nan 0.000 0.500 419 T N 3.104 117.790 114.554 0.220 0.000 2.752 419 T HA 0.501 4.851 4.350 -0.000 0.000 0.295 419 T C 1.003 175.684 174.700 -0.032 0.000 0.923 419 T CA -0.076 62.053 62.100 0.049 0.000 1.112 419 T CB 1.004 69.791 68.868 -0.135 0.000 0.884 419 T HN 0.257 nan 8.240 nan 0.000 0.525 420 I N 3.849 124.381 120.570 -0.064 0.000 2.474 420 I HA 0.245 4.415 4.170 -0.000 0.000 0.287 420 I C 0.230 176.204 176.117 -0.239 0.000 1.048 420 I CA -0.534 60.653 61.300 -0.190 0.000 1.383 420 I CB 0.530 38.318 38.000 -0.355 0.000 1.412 420 I HN 0.273 nan 8.210 nan 0.000 0.531 421 V N 5.764 125.541 119.914 -0.227 0.000 2.448 421 V HA 0.311 4.431 4.120 -0.000 0.000 0.295 421 V C 0.134 176.147 176.094 -0.135 0.000 1.025 421 V CA -0.751 61.436 62.300 -0.189 0.000 0.859 421 V CB 1.841 33.528 31.823 -0.227 0.000 0.988 421 V HN 0.726 nan 8.190 nan 0.000 0.431 422 E N 3.368 123.540 120.200 -0.046 0.000 2.134 422 E HA 0.540 4.890 4.350 -0.000 0.000 0.278 422 E C -1.293 175.507 176.600 0.334 0.000 0.959 422 E CA -0.446 55.988 56.400 0.058 0.000 0.783 422 E CB 1.757 31.409 29.700 -0.079 0.000 1.095 422 E HN 0.530 nan 8.360 nan 0.000 0.399 423 V N 6.755 126.817 119.914 0.246 0.000 2.407 423 V HA 0.234 4.354 4.120 -0.000 0.000 0.278 423 V C 0.436 176.732 176.094 0.337 0.000 1.037 423 V CA -0.351 62.087 62.300 0.230 0.000 0.900 423 V CB 0.776 32.636 31.823 0.062 0.000 0.983 423 V HN 0.865 nan 8.190 nan 0.000 0.459 424 W N 2.851 124.264 121.300 0.189 0.000 2.121 424 W HA 0.392 5.052 4.660 -0.000 0.000 0.275 424 W C -0.052 176.401 176.519 -0.109 0.000 0.903 424 W CA -0.639 56.803 57.345 0.162 0.000 1.253 424 W CB 0.192 29.914 29.460 0.437 0.000 1.016 424 W HN 0.338 nan 8.180 nan 0.000 0.537 425 K N 1.972 121.995 120.400 -0.628 0.000 2.144 425 K HA 0.099 4.419 4.320 -0.000 0.000 0.270 425 K C 0.355 176.811 176.600 -0.239 0.000 1.005 425 K CA -0.320 55.592 56.287 -0.625 0.000 0.932 425 K CB 1.627 33.693 32.500 -0.724 0.000 1.021 425 K HN -0.327 nan 8.250 nan 0.000 0.462 426 D N 0.446 120.748 120.400 -0.165 0.000 2.183 426 D HA -0.092 4.548 4.640 -0.000 0.000 0.205 426 D C 0.339 176.664 176.300 0.042 0.000 0.962 426 D CA 0.847 54.849 54.000 0.004 0.000 0.849 426 D CB 0.017 40.803 40.800 -0.022 0.000 0.978 426 D HN 0.516 nan 8.370 nan 0.000 0.488 427 S N 0.496 116.171 115.700 -0.042 0.000 2.465 427 S HA 0.363 4.833 4.470 -0.000 0.000 0.307 427 S C 0.648 175.229 174.600 -0.033 0.000 1.187 427 S CA -0.083 58.092 58.200 -0.041 0.000 1.141 427 S CB 0.176 63.340 63.200 -0.061 0.000 1.108 427 S HN 0.385 nan 8.310 nan 0.000 0.525 428 A N 2.551 125.343 122.820 -0.047 0.000 2.416 428 A HA -0.205 4.115 4.320 -0.000 0.000 0.293 428 A C 0.461 178.012 177.584 -0.055 0.000 1.452 428 A CA 0.973 52.961 52.037 -0.082 0.000 0.738 428 A CB -2.799 16.168 19.000 -0.055 0.000 1.123 428 A HN 1.886 nan 8.150 nan 0.000 0.389 429 Y N -1.219 119.035 120.300 -0.076 0.000 2.395 429 Y HA 0.216 4.766 4.550 -0.000 0.000 0.293 429 Y C -0.586 175.261 175.900 -0.088 0.000 1.123 429 Y CA 0.398 58.445 58.100 -0.089 0.000 1.227 429 Y CB -1.424 36.974 38.460 -0.104 0.000 1.012 429 Y HN 0.398 nan 8.280 nan 0.000 0.552 430 P HA -0.152 nan 4.420 nan 0.000 0.218 430 P C 1.573 178.838 177.300 -0.058 0.000 1.148 430 P CA 1.847 64.832 63.100 -0.191 0.000 0.822 430 P CB 0.095 31.669 31.700 -0.210 0.000 0.784 431 E N -0.365 119.806 120.200 -0.049 0.000 2.072 431 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 431 E C 1.922 178.531 176.600 0.016 0.000 0.982 431 E CA 0.976 57.379 56.400 0.005 0.000 0.803 431 E CB -0.278 29.424 29.700 0.003 0.000 0.755 431 E HN 0.233 nan 8.360 nan 0.000 0.453 432 E N 0.615 120.822 120.200 0.011 0.000 2.051 432 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 432 E C 2.409 178.982 176.600 -0.045 0.000 0.991 432 E CA 0.480 56.902 56.400 0.037 0.000 0.799 432 E CB -0.292 29.440 29.700 0.054 0.000 0.748 432 E HN 0.283 nan 8.360 nan 0.000 0.449 433 L N 0.814 121.933 121.223 -0.173 0.000 2.127 433 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 433 L C 2.445 179.019 176.870 -0.493 0.000 1.089 433 L CA 1.007 55.565 54.840 -0.471 0.000 0.757 433 L CB -0.263 41.240 42.059 -0.927 0.000 0.899 433 L HN 0.001 nan 8.230 nan 0.000 0.434 434 S N -0.910 114.666 115.700 -0.206 0.000 2.406 434 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 434 S C 2.045 176.707 174.600 0.103 0.000 1.020 434 S CA 0.733 59.003 58.200 0.118 0.000 0.965 434 S CB -0.085 63.243 63.200 0.214 0.000 0.798 434 S HN 0.344 nan 8.310 nan 0.000 0.488 435 R N 0.581 121.134 120.500 0.088 0.000 2.062 435 R HA -0.005 4.335 4.340 -0.000 0.000 0.229 435 R C 2.253 178.642 176.300 0.149 0.000 1.128 435 R CA 1.200 57.407 56.100 0.179 0.000 0.960 435 R CB -0.629 29.838 30.300 0.279 0.000 0.855 435 R HN 0.237 nan 8.270 nan 0.000 0.432 436 V N 1.010 120.892 119.914 -0.053 0.000 2.295 436 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 436 V C 2.551 178.597 176.094 -0.080 0.000 1.049 436 V CA 2.407 64.512 62.300 -0.325 0.000 1.024 436 V CB -0.900 30.693 31.823 -0.383 0.000 0.648 436 V HN 0.581 nan 8.190 nan 0.000 0.447 437 T N -0.954 113.598 114.554 -0.004 0.000 2.915 437 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 437 T C 1.793 176.536 174.700 0.072 0.000 1.071 437 T CA 1.277 63.419 62.100 0.069 0.000 1.132 437 T CB -0.422 68.554 68.868 0.180 0.000 0.878 437 T HN 0.474 nan 8.240 nan 0.000 0.479 438 A N 1.051 123.925 122.820 0.089 0.000 2.168 438 A HA 0.188 4.508 4.320 -0.000 0.000 0.215 438 A C 2.400 180.026 177.584 0.070 0.000 1.152 438 A CA 1.118 53.208 52.037 0.089 0.000 0.716 438 A CB -0.493 18.576 19.000 0.114 0.000 0.794 438 A HN 0.514 nan 8.150 nan 0.000 0.465 439 S N -1.896 113.843 115.700 0.066 0.000 2.524 439 S HA 0.385 4.855 4.470 -0.000 0.000 0.215 439 S C 1.253 175.702 174.600 -0.251 0.000 0.986 439 S CA 0.600 58.815 58.200 0.025 0.000 0.911 439 S CB 0.398 63.767 63.200 0.281 0.000 0.805 439 S HN 1.546 nan 8.310 nan 0.000 0.501 440 G N 1.279 109.958 108.800 -0.202 0.000 2.132 440 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.228 440 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.228 440 G C -0.228 174.452 174.900 -0.367 0.000 1.000 440 G CA -0.431 44.510 45.100 -0.264 0.000 0.693 440 G HN 0.362 nan 8.290 nan 0.000 0.515 441 F N 0.492 120.409 119.950 -0.055 0.000 2.425 441 F HA 0.603 5.130 4.527 -0.000 0.000 0.331 441 F C -1.709 174.038 175.800 -0.089 0.000 1.085 441 F CA -2.776 55.174 58.000 -0.083 0.000 1.028 441 F CB 1.507 40.412 39.000 -0.158 0.000 1.177 441 F HN -0.166 nan 8.300 nan 0.000 0.487 442 P HA 0.195 nan 4.420 nan 0.000 0.271 442 P C -1.048 176.205 177.300 -0.078 0.000 1.218 442 P CA -0.117 62.986 63.100 0.006 0.000 0.780 442 P CB 1.189 32.873 31.700 -0.026 0.000 0.901 443 V N 4.102 123.930 119.914 -0.144 0.000 2.876 443 V HA 0.539 4.659 4.120 -0.000 0.000 0.312 443 V C -0.806 175.054 176.094 -0.390 0.000 1.085 443 V CA -0.932 61.245 62.300 -0.205 0.000 0.945 443 V CB 1.622 33.375 31.823 -0.115 0.000 1.017 443 V HN 0.320 nan 8.190 nan 0.000 0.428 444 I N 5.387 125.749 120.570 -0.345 0.000 2.603 444 I HA 0.505 4.675 4.170 -0.000 0.000 0.300 444 I C -1.066 174.926 176.117 -0.209 0.000 1.017 444 I CA -0.908 60.145 61.300 -0.411 0.000 1.098 444 I CB 1.970 39.755 38.000 -0.360 0.000 1.279 444 I HN 0.450 nan 8.210 nan 0.000 0.437 445 L N 4.025 125.149 121.223 -0.165 0.000 2.329 445 L HA 0.498 4.838 4.340 -0.000 0.000 0.279 445 L C 0.386 177.304 176.870 0.080 0.000 1.014 445 L CA 0.525 55.364 54.840 -0.002 0.000 0.814 445 L CB 1.677 43.799 42.059 0.104 0.000 1.257 445 L HN 0.738 nan 8.230 nan 0.000 0.424 446 S N 1.903 117.658 115.700 0.093 0.000 2.615 446 S HA 0.210 4.680 4.470 -0.000 0.000 0.277 446 S C 1.416 176.169 174.600 0.256 0.000 1.068 446 S CA 0.194 58.564 58.200 0.283 0.000 1.315 446 S CB -0.167 63.298 63.200 0.441 0.000 1.193 446 S HN 0.699 nan 8.310 nan 0.000 0.656 447 A N 3.582 126.359 122.820 -0.073 0.000 1.915 447 A HA -0.035 4.285 4.320 -0.000 0.000 0.220 447 A C 0.217 177.622 177.584 -0.298 0.000 1.198 447 A CA 2.370 54.228 52.037 -0.299 0.000 0.647 447 A CB -1.795 16.728 19.000 -0.795 0.000 0.825 447 A HN 0.609 nan 8.150 nan 0.000 0.456 448 P HA -0.000 nan 4.420 nan 0.000 0.239 448 P C 0.086 177.525 177.300 0.232 0.000 1.188 448 P CA 0.434 63.421 63.100 -0.188 0.000 0.794 448 P CB -0.016 31.463 31.700 -0.368 0.000 0.937 449 W N 0.125 121.646 121.300 0.369 0.000 2.269 449 W HA 0.274 4.934 4.660 -0.000 0.000 0.402 449 W C -0.500 176.145 176.519 0.210 0.000 0.654 449 W CA -0.830 56.665 57.345 0.250 0.000 2.299 449 W CB -1.204 28.323 29.460 0.111 0.000 1.621 449 W HN -0.064 nan 8.180 nan 0.000 0.677 450 Y N 1.447 121.931 120.300 0.307 0.000 2.627 450 Y HA 0.097 4.647 4.550 -0.000 0.000 0.347 450 Y C 1.517 177.526 175.900 0.181 0.000 1.099 450 Y CA -0.194 58.047 58.100 0.235 0.000 1.408 450 Y CB -0.085 38.551 38.460 0.293 0.000 1.247 450 Y HN -0.023 nan 8.280 nan 0.000 0.506 451 L N 1.088 122.330 121.223 0.031 0.000 2.093 451 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 451 L C 2.097 179.008 176.870 0.069 0.000 1.085 451 L CA 1.221 56.032 54.840 -0.049 0.000 0.755 451 L CB -0.277 41.634 42.059 -0.246 0.000 0.904 451 L HN 0.496 nan 8.230 nan 0.000 0.435 452 D N 1.171 121.612 120.400 0.068 0.000 2.221 452 D HA -0.198 4.442 4.640 -0.000 0.000 0.204 452 D C 1.090 177.506 176.300 0.193 0.000 0.982 452 D CA 0.733 54.811 54.000 0.129 0.000 0.857 452 D CB -0.492 40.414 40.800 0.176 0.000 0.934 452 D HN 0.288 nan 8.370 nan 0.000 0.475 453 L N 1.936 123.314 121.223 0.258 0.000 2.623 453 L HA 0.142 4.482 4.340 -0.000 0.000 0.281 453 L C 0.513 177.512 176.870 0.216 0.000 1.150 453 L CA -0.365 54.619 54.840 0.241 0.000 0.965 453 L CB -0.290 41.944 42.059 0.292 0.000 1.303 453 L HN 0.099 nan 8.230 nan 0.000 0.467 454 I N 1.100 121.759 120.570 0.147 0.000 2.499 454 I HA 0.689 4.859 4.170 -0.000 0.000 0.296 454 I C 0.234 176.424 176.117 0.122 0.000 0.992 454 I CA -0.169 61.213 61.300 0.136 0.000 1.297 454 I CB 1.744 39.800 38.000 0.093 0.000 1.410 454 I HN 0.498 nan 8.210 nan 0.000 0.507 455 S N 3.516 119.298 115.700 0.137 0.000 2.541 455 S HA 0.396 4.866 4.470 -0.000 0.000 0.271 455 S C -0.931 173.766 174.600 0.162 0.000 1.133 455 S CA -0.792 57.488 58.200 0.134 0.000 0.876 455 S CB 1.030 64.293 63.200 0.105 0.000 1.105 455 S HN 0.720 nan 8.310 nan 0.000 0.470 456 Y N 2.638 122.968 120.300 0.050 0.000 2.620 456 Y HA 0.437 4.987 4.550 -0.000 0.000 0.330 456 Y C 0.782 176.719 175.900 0.063 0.000 1.186 456 Y CA 1.994 60.126 58.100 0.054 0.000 1.467 456 Y CB -0.292 38.191 38.460 0.039 0.000 1.262 456 Y HN 1.618 nan 8.280 nan 0.000 0.550 457 G N 4.692 113.228 108.800 -0.440 0.000 2.663 457 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.686 457 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.686 457 G C -1.177 173.678 174.900 -0.075 0.000 1.288 457 G CA -0.813 44.094 45.100 -0.322 0.000 0.836 457 G HN 0.804 nan 8.290 nan 0.000 0.584 458 Q N 0.724 120.510 119.800 -0.024 0.000 2.442 458 Q HA 0.134 4.474 4.340 -0.000 0.000 0.244 458 Q C 1.020 176.920 176.000 -0.168 0.000 1.302 458 Q CA 0.630 56.448 55.803 0.025 0.000 0.889 458 Q CB 0.176 28.921 28.738 0.011 0.000 1.578 458 Q HN 0.645 nan 8.270 nan 0.000 0.526 459 D N 1.935 122.328 120.400 -0.012 0.000 2.339 459 D HA -0.134 4.506 4.640 -0.000 0.000 0.217 459 D C 1.206 177.484 176.300 -0.038 0.000 1.050 459 D CA -0.089 53.860 54.000 -0.085 0.000 0.856 459 D CB -0.174 40.615 40.800 -0.018 0.000 0.922 459 D HN 0.756 nan 8.370 nan 0.000 0.518 460 W N 1.687 123.107 121.300 0.200 0.000 2.421 460 W HA -0.022 4.638 4.660 -0.000 0.000 0.270 460 W C 1.159 177.863 176.519 0.309 0.000 1.233 460 W CA 0.013 57.572 57.345 0.356 0.000 1.226 460 W CB -0.698 28.917 29.460 0.258 0.000 1.121 460 W HN -0.067 nan 8.180 nan 0.000 0.579 461 R N 1.033 121.096 120.500 -0.728 0.000 2.189 461 R HA -0.061 4.279 4.340 -0.000 0.000 0.218 461 R C 2.325 178.529 176.300 -0.161 0.000 1.074 461 R CA 1.325 57.019 56.100 -0.677 0.000 0.991 461 R CB -0.294 29.469 30.300 -0.896 0.000 0.883 461 R HN 0.153 nan 8.270 nan 0.000 0.457 462 K N 0.082 120.371 120.400 -0.185 0.000 2.031 462 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 462 K C 1.468 178.115 176.600 0.078 0.000 1.049 462 K CA 1.351 57.556 56.287 -0.138 0.000 0.939 462 K CB 0.011 32.316 32.500 -0.324 0.000 0.717 462 K HN 0.082 nan 8.250 nan 0.000 0.438 463 Y N -0.909 119.629 120.300 0.398 0.000 2.200 463 Y HA -0.185 4.365 4.550 -0.000 0.000 0.290 463 Y C 2.201 178.487 175.900 0.642 0.000 1.137 463 Y CA 1.171 59.650 58.100 0.633 0.000 1.163 463 Y CB -0.845 37.942 38.460 0.545 0.000 0.988 463 Y HN 0.173 nan 8.280 nan 0.000 0.518 464 Y N 1.041 121.674 120.300 0.555 0.000 2.293 464 Y HA -0.137 4.413 4.550 -0.000 0.000 0.291 464 Y C 2.029 178.156 175.900 0.378 0.000 1.137 464 Y CA 1.437 59.831 58.100 0.489 0.000 1.202 464 Y CB -0.098 38.724 38.460 0.604 0.000 0.990 464 Y HN -0.047 nan 8.280 nan 0.000 0.537 465 K N -0.015 120.639 120.400 0.424 0.000 2.366 465 K HA 0.030 4.350 4.320 -0.000 0.000 0.198 465 K C 0.182 176.924 176.600 0.236 0.000 1.044 465 K CA 0.274 56.728 56.287 0.279 0.000 0.973 465 K CB -0.023 32.592 32.500 0.192 0.000 0.767 465 K HN 0.011 nan 8.250 nan 0.000 0.475 466 V N 2.528 122.641 119.914 0.330 0.000 2.599 466 V HA -0.047 4.073 4.120 -0.000 0.000 0.300 466 V C 0.151 176.417 176.094 0.288 0.000 1.034 466 V CA 0.032 62.519 62.300 0.313 0.000 1.115 466 V CB 0.778 32.830 31.823 0.383 0.000 0.934 466 V HN 0.155 nan 8.190 nan 0.000 0.485 467 E N 8.361 128.680 120.200 0.198 0.000 2.073 467 E HA 0.358 4.708 4.350 -0.000 0.000 0.269 467 E C -1.600 175.090 176.600 0.151 0.000 0.917 467 E CA -2.205 54.296 56.400 0.167 0.000 0.757 467 E CB 1.590 31.349 29.700 0.097 0.000 1.111 467 E HN 0.355 nan 8.360 nan 0.000 0.410 468 P HA -0.153 nan 4.420 nan 0.000 0.216 468 P C 0.467 177.668 177.300 -0.165 0.000 1.150 468 P CA 0.995 64.106 63.100 0.017 0.000 0.837 468 P CB 0.287 32.041 31.700 0.091 0.000 0.786 469 L N 0.405 121.579 121.223 -0.082 0.000 3.035 469 L HA 0.187 4.527 4.340 -0.000 0.000 0.232 469 L C 0.098 176.869 176.870 -0.165 0.000 1.341 469 L CA 0.035 54.784 54.840 -0.151 0.000 1.177 469 L CB -0.494 41.482 42.059 -0.139 0.000 1.555 469 L HN -0.257 nan 8.230 nan 0.000 0.473 470 D N 1.341 121.748 120.400 0.012 0.000 3.133 470 D HA 0.262 4.902 4.640 -0.000 0.000 0.288 470 D C -0.507 175.837 176.300 0.074 0.000 1.346 470 D CA 0.083 54.077 54.000 -0.011 0.000 0.934 470 D CB 0.183 40.991 40.800 0.014 0.000 1.042 470 D HN 0.119 nan 8.370 nan 0.000 0.506 471 F N -2.250 117.652 119.950 -0.079 0.000 2.626 471 F HA 0.702 5.229 4.527 -0.000 0.000 0.311 471 F C 0.360 176.137 175.800 -0.038 0.000 1.088 471 F CA -1.758 56.204 58.000 -0.064 0.000 0.949 471 F CB 0.608 39.575 39.000 -0.055 0.000 1.322 471 F HN -0.102 nan 8.300 nan 0.000 0.461 472 G N 0.296 109.178 108.800 0.137 0.000 2.343 472 G HA2 0.505 4.465 3.960 -0.000 0.000 0.254 472 G HA3 0.505 4.465 3.960 -0.000 0.000 0.254 472 G C -0.178 174.775 174.900 0.089 0.000 1.277 472 G CA 0.148 45.279 45.100 0.051 0.000 0.909 472 G HN 1.584 nan 8.290 nan 0.000 0.502 473 G N 0.862 109.644 108.800 -0.030 0.000 2.358 473 G HA2 0.564 4.524 3.960 -0.000 0.000 0.301 473 G HA3 0.564 4.524 3.960 -0.000 0.000 0.301 473 G C -0.223 174.643 174.900 -0.057 0.000 1.539 473 G CA -0.035 45.068 45.100 0.005 0.000 0.893 473 G HN 1.154 nan 8.290 nan 0.000 0.636 474 T N -1.430 113.117 114.554 -0.011 0.000 2.788 474 T HA 0.329 4.679 4.350 -0.000 0.000 0.287 474 T C 1.404 176.087 174.700 -0.028 0.000 1.007 474 T CA 0.352 62.439 62.100 -0.021 0.000 1.005 474 T CB 1.247 70.116 68.868 0.001 0.000 1.012 474 T HN 0.594 nan 8.240 nan 0.000 0.530 475 Q N -0.238 119.546 119.800 -0.026 0.000 2.291 475 Q HA -0.080 4.260 4.340 -0.000 0.000 0.206 475 Q C 2.264 178.271 176.000 0.012 0.000 0.976 475 Q CA 0.872 56.664 55.803 -0.018 0.000 0.875 475 Q CB -0.093 28.635 28.738 -0.017 0.000 0.927 475 Q HN 0.556 nan 8.270 nan 0.000 0.450 476 K N 1.053 121.464 120.400 0.019 0.000 2.155 476 K HA -0.152 4.168 4.320 -0.000 0.000 0.203 476 K C 1.688 178.325 176.600 0.061 0.000 1.052 476 K CA 1.249 57.557 56.287 0.035 0.000 0.948 476 K CB 0.188 32.703 32.500 0.025 0.000 0.728 476 K HN 0.343 nan 8.250 nan 0.000 0.448 477 Q N -0.046 119.798 119.800 0.073 0.000 2.172 477 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 477 Q C 1.692 177.815 176.000 0.204 0.000 0.964 477 Q CA 0.809 56.693 55.803 0.135 0.000 0.855 477 Q CB 0.183 29.019 28.738 0.164 0.000 0.918 477 Q HN 0.101 nan 8.270 nan 0.000 0.444 478 K N 0.501 120.982 120.400 0.135 0.000 2.366 478 K HA -0.089 4.231 4.320 -0.000 0.000 0.198 478 K C 1.715 178.456 176.600 0.235 0.000 1.044 478 K CA 0.712 57.102 56.287 0.172 0.000 0.973 478 K CB 0.121 32.628 32.500 0.010 0.000 0.767 478 K HN 0.144 nan 8.250 nan 0.000 0.475 479 Q N 0.599 120.499 119.800 0.167 0.000 2.297 479 Q HA 0.080 4.420 4.340 -0.000 0.000 0.204 479 Q C 1.731 177.833 176.000 0.170 0.000 0.962 479 Q CA 0.677 56.574 55.803 0.156 0.000 0.879 479 Q CB -0.010 28.786 28.738 0.096 0.000 0.947 479 Q HN 0.239 nan 8.270 nan 0.000 0.462 480 L N -0.940 120.390 121.223 0.179 0.000 2.554 480 L HA 0.108 4.448 4.340 -0.000 0.000 0.226 480 L C 0.234 177.198 176.870 0.157 0.000 1.137 480 L CA -0.386 54.538 54.840 0.140 0.000 0.863 480 L CB -0.002 42.123 42.059 0.111 0.000 0.985 480 L HN 0.136 nan 8.230 nan 0.000 0.451 481 F N 1.855 121.871 119.950 0.109 0.000 2.438 481 F HA 0.158 4.685 4.527 -0.000 0.000 0.360 481 F C 1.248 177.072 175.800 0.040 0.000 1.118 481 F CA -0.495 57.542 58.000 0.061 0.000 1.164 481 F CB 0.600 39.696 39.000 0.161 0.000 1.131 481 F HN -0.045 nan 8.300 nan 0.000 0.527 482 I N 2.651 122.965 120.570 -0.427 0.000 3.462 482 I HA 0.593 4.763 4.170 -0.000 0.000 0.290 482 I C 0.952 176.904 176.117 -0.275 0.000 1.236 482 I CA 0.589 61.763 61.300 -0.210 0.000 1.418 482 I CB -0.217 37.672 38.000 -0.184 0.000 1.102 482 I HN 0.653 nan 8.210 nan 0.000 0.441 483 G N 0.247 108.531 108.800 -0.859 0.000 2.441 483 G HA2 0.444 4.404 3.960 -0.000 0.000 0.222 483 G HA3 0.444 4.404 3.960 -0.000 0.000 0.222 483 G C -0.988 173.620 174.900 -0.486 0.000 1.254 483 G CA -0.263 44.450 45.100 -0.645 0.000 0.959 483 G HN 0.590 nan 8.290 nan 0.000 0.474 484 G N -1.159 107.659 108.800 0.030 0.000 2.649 484 G HA2 0.686 4.646 3.960 -0.000 0.000 0.290 484 G HA3 0.686 4.646 3.960 -0.000 0.000 0.290 484 G C -1.808 173.323 174.900 0.384 0.000 1.426 484 G CA -0.265 45.013 45.100 0.297 0.000 0.794 484 G HN 0.620 nan 8.290 nan 0.000 0.483 485 E N -1.078 119.383 120.200 0.434 0.000 2.356 485 E HA 0.582 4.932 4.350 -0.000 0.000 0.275 485 E C -0.860 175.925 176.600 0.309 0.000 0.904 485 E CA -0.989 55.601 56.400 0.316 0.000 0.757 485 E CB 2.619 32.440 29.700 0.200 0.000 1.232 485 E HN 0.709 nan 8.360 nan 0.000 0.442 486 A N 2.118 124.987 122.820 0.081 0.000 2.277 486 A HA 0.464 4.784 4.320 -0.000 0.000 0.318 486 A C -0.523 176.901 177.584 -0.267 0.000 1.339 486 A CA -0.546 51.461 52.037 -0.050 0.000 0.875 486 A CB 0.023 18.903 19.000 -0.199 0.000 1.158 486 A HN 0.639 nan 8.150 nan 0.000 0.514 487 C N 1.994 121.097 119.300 -0.328 0.000 2.401 487 C HA 0.609 5.069 4.460 -0.000 0.000 0.365 487 C C 0.196 174.810 174.990 -0.627 0.000 1.250 487 C CA -0.345 58.290 59.018 -0.638 0.000 2.131 487 C CB 0.388 27.549 27.740 -0.965 0.000 2.445 487 C HN 0.789 nan 8.230 nan 0.000 0.550 488 L N 3.226 124.048 121.223 -0.669 0.000 2.433 488 L HA 0.434 4.774 4.340 -0.000 0.000 0.256 488 L C -0.991 175.639 176.870 -0.399 0.000 1.063 488 L CA 0.020 54.598 54.840 -0.437 0.000 0.922 488 L CB 0.038 41.886 42.059 -0.351 0.000 1.238 488 L HN 0.789 nan 8.230 nan 0.000 0.466 489 W N 2.884 124.065 121.300 -0.197 0.000 2.216 489 W HA 0.444 5.104 4.660 -0.000 0.000 0.326 489 W C 1.390 177.875 176.519 -0.058 0.000 1.319 489 W CA -0.484 56.758 57.345 -0.173 0.000 1.213 489 W CB 1.076 30.420 29.460 -0.194 0.000 1.171 489 W HN 0.653 nan 8.180 nan 0.000 0.557 490 G N 1.911 110.849 108.800 0.231 0.000 3.562 490 G HA2 0.018 3.978 3.960 -0.000 0.000 0.279 490 G HA3 0.018 3.978 3.960 -0.000 0.000 0.279 490 G C 0.807 175.877 174.900 0.283 0.000 1.314 490 G CA -0.229 45.004 45.100 0.223 0.000 1.189 490 G HN 0.486 nan 8.290 nan 0.000 0.562 491 E N 0.052 120.342 120.200 0.150 0.000 2.077 491 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 491 E C 0.443 176.875 176.600 -0.280 0.000 0.989 491 E CA 1.201 57.531 56.400 -0.117 0.000 0.800 491 E CB -0.072 29.483 29.700 -0.242 0.000 0.746 491 E HN 0.672 nan 8.360 nan 0.000 0.452 492 Y N -1.581 118.826 120.300 0.178 0.000 2.719 492 Y HA 0.366 4.916 4.550 -0.000 0.000 0.251 492 Y C -0.672 175.206 175.900 -0.037 0.000 1.159 492 Y CA -0.470 57.681 58.100 0.084 0.000 1.166 492 Y CB 1.101 39.603 38.460 0.069 0.000 1.219 492 Y HN -0.261 nan 8.280 nan 0.000 0.551 493 V N 2.725 122.662 119.914 0.039 0.000 2.409 493 V HA 0.337 4.457 4.120 -0.000 0.000 0.290 493 V C -0.720 175.283 176.094 -0.151 0.000 1.017 493 V CA -0.688 61.590 62.300 -0.038 0.000 0.841 493 V CB 1.285 33.122 31.823 0.023 0.000 1.003 493 V HN 0.340 nan 8.190 nan 0.000 0.426 494 D N 4.362 124.624 120.400 -0.231 0.000 2.727 494 D HA 0.494 5.134 4.640 -0.000 0.000 0.264 494 D C 1.204 177.462 176.300 -0.070 0.000 1.101 494 D CA -0.041 53.868 54.000 -0.153 0.000 1.122 494 D CB 1.840 42.484 40.800 -0.259 0.000 1.390 494 D HN 0.353 nan 8.370 nan 0.000 0.606 495 A N -0.383 122.421 122.820 -0.027 0.000 2.032 495 A HA -0.183 4.137 4.320 -0.000 0.000 0.221 495 A C 2.016 179.589 177.584 -0.019 0.000 1.165 495 A CA 3.217 55.243 52.037 -0.017 0.000 0.645 495 A CB -1.482 17.521 19.000 0.005 0.000 0.807 495 A HN 0.757 nan 8.150 nan 0.000 0.453 496 T N -1.580 112.959 114.554 -0.026 0.000 2.951 496 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 496 T C 1.105 175.796 174.700 -0.015 0.000 1.073 496 T CA 1.310 63.400 62.100 -0.016 0.000 1.134 496 T CB -0.300 68.558 68.868 -0.017 0.000 0.884 496 T HN 0.683 nan 8.240 nan 0.000 0.479 497 N N -0.075 118.610 118.700 -0.025 0.000 2.143 497 N HA 0.171 4.911 4.740 -0.000 0.000 0.229 497 N C 1.202 176.697 175.510 -0.026 0.000 1.294 497 N CA -0.200 52.840 53.050 -0.016 0.000 0.883 497 N CB -0.142 38.339 38.487 -0.010 0.000 1.148 497 N HN 0.407 nan 8.380 nan 0.000 0.511 498 L N 1.505 122.706 121.223 -0.038 0.000 1.993 498 L HA -0.029 4.311 4.340 -0.000 0.000 0.206 498 L C 1.872 178.705 176.870 -0.061 0.000 1.074 498 L CA 1.826 56.628 54.840 -0.064 0.000 0.746 498 L CB -0.800 41.216 42.059 -0.072 0.000 0.896 498 L HN 0.010 nan 8.230 nan 0.000 0.435 499 T N 0.448 115.002 114.554 -0.000 0.000 2.635 499 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 499 T C -0.575 174.190 174.700 0.109 0.000 1.040 499 T CA 1.936 64.097 62.100 0.100 0.000 1.156 499 T CB -1.558 67.382 68.868 0.120 0.000 0.863 499 T HN 0.337 nan 8.240 nan 0.000 0.430 500 P HA -0.051 nan 4.420 nan 0.000 0.215 500 P C 1.585 178.892 177.300 0.011 0.000 1.157 500 P CA 1.134 64.259 63.100 0.041 0.000 0.868 500 P CB -0.045 31.669 31.700 0.024 0.000 0.788 501 R N -0.610 119.875 120.500 -0.024 0.000 2.081 501 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 501 R C 2.302 178.524 176.300 -0.129 0.000 1.131 501 R CA 1.087 57.160 56.100 -0.045 0.000 0.960 501 R CB -0.986 29.290 30.300 -0.040 0.000 0.856 501 R HN 0.129 nan 8.270 nan 0.000 0.436 502 L N -0.374 120.689 121.223 -0.267 0.000 1.976 502 L HA -0.086 4.254 4.340 -0.000 0.000 0.209 502 L C 0.078 176.587 176.870 -0.602 0.000 1.071 502 L CA 1.214 55.698 54.840 -0.594 0.000 0.746 502 L CB -0.032 41.452 42.059 -0.959 0.000 0.890 502 L HN 0.148 nan 8.230 nan 0.000 0.432 503 W N -0.569 120.679 121.300 -0.088 0.000 2.438 503 W HA 0.338 4.998 4.660 -0.000 0.000 0.324 503 W C -1.773 174.683 176.519 -0.106 0.000 1.119 503 W CA -1.723 55.561 57.345 -0.101 0.000 1.221 503 W CB 0.035 29.427 29.460 -0.114 0.000 1.253 503 W HN -0.081 nan 8.180 nan 0.000 0.555 504 P HA 0.177 nan 4.420 nan 0.000 0.262 504 P C 0.651 177.965 177.300 0.023 0.000 1.651 504 P CA -0.063 63.067 63.100 0.050 0.000 1.119 504 P CB 0.325 31.901 31.700 -0.206 0.000 1.552 505 R N 0.220 120.754 120.500 0.058 0.000 2.115 505 R HA 0.073 4.413 4.340 -0.000 0.000 0.226 505 R C 1.982 178.334 176.300 0.086 0.000 1.100 505 R CA 1.400 57.587 56.100 0.144 0.000 0.980 505 R CB -0.568 29.821 30.300 0.148 0.000 0.875 505 R HN 0.164 nan 8.270 nan 0.000 0.445 506 A N 0.429 123.216 122.820 -0.054 0.000 2.119 506 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 506 A C 1.994 179.776 177.584 0.331 0.000 1.152 506 A CA 0.801 52.788 52.037 -0.082 0.000 0.708 506 A CB -0.045 18.611 19.000 -0.574 0.000 0.805 506 A HN 0.137 nan 8.150 nan 0.000 0.460 507 S N 0.255 116.207 115.700 0.419 0.000 2.402 507 S HA -0.040 4.430 4.470 -0.000 0.000 0.229 507 S C 2.160 177.225 174.600 0.775 0.000 1.021 507 S CA 1.001 59.541 58.200 0.567 0.000 0.974 507 S CB -0.300 62.941 63.200 0.068 0.000 0.800 507 S HN 0.778 nan 8.310 nan 0.000 0.484 508 A N 0.763 123.943 122.820 0.600 0.000 2.121 508 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 508 A C 2.088 179.981 177.584 0.515 0.000 1.154 508 A CA 1.003 53.546 52.037 0.843 0.000 0.679 508 A CB -0.409 19.125 19.000 0.890 0.000 0.795 508 A HN 0.378 nan 8.150 nan 0.000 0.458 509 V N -0.997 119.050 119.914 0.222 0.000 2.685 509 V HA 0.010 4.130 4.120 -0.000 0.000 0.244 509 V C 2.736 178.793 176.094 -0.063 0.000 1.054 509 V CA 1.252 63.431 62.300 -0.202 0.000 1.076 509 V CB -1.069 30.455 31.823 -0.497 0.000 0.725 509 V HN 0.524 nan 8.190 nan 0.000 0.467 510 G N 0.080 108.966 108.800 0.144 0.000 2.440 510 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 510 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 510 G C 1.484 176.341 174.900 -0.071 0.000 1.154 510 G CA 1.181 46.157 45.100 -0.206 0.000 0.767 510 G HN 0.580 nan 8.290 nan 0.000 0.552 511 E N -0.066 120.150 120.200 0.027 0.000 2.106 511 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 511 E C 2.492 179.037 176.600 -0.093 0.000 0.984 511 E CA 0.772 57.055 56.400 -0.194 0.000 0.806 511 E CB -0.063 29.333 29.700 -0.507 0.000 0.750 511 E HN 0.243 nan 8.360 nan 0.000 0.458 512 R N 0.303 120.762 120.500 -0.067 0.000 2.148 512 R HA -0.003 4.337 4.340 -0.000 0.000 0.227 512 R C 1.831 178.228 176.300 0.161 0.000 1.103 512 R CA 1.155 57.241 56.100 -0.024 0.000 0.983 512 R CB -0.218 30.084 30.300 0.003 0.000 0.874 512 R HN 0.301 nan 8.270 nan 0.000 0.451 513 L N -1.476 119.834 121.223 0.145 0.000 2.416 513 L HA 0.073 4.413 4.340 -0.000 0.000 0.216 513 L C 1.924 178.936 176.870 0.236 0.000 1.098 513 L CA 0.108 55.160 54.840 0.355 0.000 0.840 513 L CB -0.225 41.956 42.059 0.204 0.000 0.981 513 L HN 0.314 nan 8.230 nan 0.000 0.462 514 W N 0.529 121.783 121.300 -0.077 0.000 2.846 514 W HA 0.177 4.837 4.660 -0.000 0.000 0.273 514 W C 0.963 177.393 176.519 -0.149 0.000 1.081 514 W CA 0.151 57.428 57.345 -0.113 0.000 1.692 514 W CB -0.002 29.382 29.460 -0.126 0.000 1.106 514 W HN -0.131 nan 8.180 nan 0.000 0.577 515 S N 1.767 117.592 115.700 0.207 0.000 2.587 515 S HA 0.079 4.549 4.470 -0.000 0.000 0.260 515 S C 0.459 175.013 174.600 -0.076 0.000 1.353 515 S CA -0.308 57.939 58.200 0.078 0.000 0.995 515 S CB 0.946 64.138 63.200 -0.013 0.000 0.912 515 S HN 0.066 nan 8.310 nan 0.000 0.568 516 S N 0.793 116.447 115.700 -0.078 0.000 2.587 516 S HA 0.070 4.540 4.470 -0.000 0.000 0.260 516 S C 1.506 176.057 174.600 -0.082 0.000 1.353 516 S CA -0.594 57.542 58.200 -0.106 0.000 0.995 516 S CB 0.307 63.460 63.200 -0.077 0.000 0.912 516 S HN 0.730 nan 8.310 nan 0.000 0.568 517 K N 0.786 121.140 120.400 -0.077 0.000 2.097 517 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 517 K C 1.004 177.595 176.600 -0.015 0.000 1.050 517 K CA 1.873 58.136 56.287 -0.039 0.000 0.938 517 K CB -0.337 32.141 32.500 -0.037 0.000 0.718 517 K HN 0.713 nan 8.250 nan 0.000 0.442 518 D N -0.083 120.308 120.400 -0.015 0.000 2.363 518 D HA -0.057 4.583 4.640 -0.000 0.000 0.220 518 D C 0.303 176.619 176.300 0.026 0.000 0.994 518 D CA 0.126 54.129 54.000 0.006 0.000 0.890 518 D CB 0.018 40.818 40.800 -0.001 0.000 0.906 518 D HN -0.098 nan 8.370 nan 0.000 0.530 519 V N 1.408 121.333 119.914 0.020 0.000 2.324 519 V HA 0.131 4.251 4.120 -0.000 0.000 0.244 519 V C 0.829 176.996 176.094 0.123 0.000 1.144 519 V CA 0.188 62.521 62.300 0.054 0.000 1.158 519 V CB -0.772 31.063 31.823 0.020 0.000 1.254 519 V HN 0.216 nan 8.190 nan 0.000 0.492 520 R N 1.336 121.932 120.500 0.160 0.000 2.569 520 R HA 0.204 4.544 4.340 -0.000 0.000 0.422 520 R C -0.363 176.082 176.300 0.242 0.000 0.980 520 R CA -0.515 55.725 56.100 0.233 0.000 1.164 520 R CB 0.692 31.077 30.300 0.143 0.000 1.520 520 R HN 0.567 nan 8.270 nan 0.000 0.567 521 D N 0.707 121.232 120.400 0.208 0.000 2.295 521 D HA 0.112 4.752 4.640 -0.000 0.000 0.248 521 D C 0.966 177.375 176.300 0.182 0.000 1.154 521 D CA -0.154 53.942 54.000 0.160 0.000 0.857 521 D CB 1.194 42.062 40.800 0.114 0.000 1.117 521 D HN -0.195 nan 8.370 nan 0.000 0.468 522 M N 2.284 121.980 119.600 0.160 0.000 2.156 522 M HA -0.044 4.436 4.480 -0.000 0.000 0.264 522 M C 1.177 177.591 176.300 0.190 0.000 1.067 522 M CA 1.226 56.628 55.300 0.171 0.000 1.131 522 M CB -0.095 32.573 32.600 0.114 0.000 1.368 522 M HN 0.421 nan 8.290 nan 0.000 0.416 523 D N -0.275 120.203 120.400 0.130 0.000 2.178 523 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 523 D C 1.513 177.911 176.300 0.164 0.000 0.980 523 D CA 1.310 55.383 54.000 0.122 0.000 0.842 523 D CB -0.312 40.524 40.800 0.061 0.000 0.948 523 D HN 0.425 nan 8.370 nan 0.000 0.472 524 D N 0.404 120.889 120.400 0.141 0.000 2.162 524 D HA -0.005 4.635 4.640 -0.000 0.000 0.203 524 D C 2.007 178.402 176.300 0.159 0.000 0.967 524 D CA 1.208 55.286 54.000 0.129 0.000 0.840 524 D CB 0.008 40.869 40.800 0.101 0.000 0.972 524 D HN 0.038 nan 8.370 nan 0.000 0.482 525 A N -0.569 122.358 122.820 0.178 0.000 1.933 525 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 525 A C 2.236 179.898 177.584 0.129 0.000 1.175 525 A CA 1.518 53.661 52.037 0.176 0.000 0.628 525 A CB -1.256 17.736 19.000 -0.014 0.000 0.814 525 A HN 0.518 nan 8.150 nan 0.000 0.444 526 Y N 0.670 121.011 120.300 0.068 0.000 2.163 526 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 526 Y C 2.161 178.028 175.900 -0.054 0.000 1.136 526 Y CA 1.994 60.088 58.100 -0.010 0.000 1.147 526 Y CB -0.223 38.307 38.460 0.118 0.000 0.987 526 Y HN 0.393 nan 8.280 nan 0.000 0.509 527 D N 0.162 120.639 120.400 0.128 0.000 2.092 527 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 527 D C 2.146 178.391 176.300 -0.092 0.000 0.994 527 D CA 1.702 55.716 54.000 0.023 0.000 0.828 527 D CB -0.188 40.671 40.800 0.098 0.000 0.963 527 D HN 0.363 nan 8.370 nan 0.000 0.450 528 R N -0.671 119.833 120.500 0.007 0.000 2.115 528 R HA -0.069 4.271 4.340 -0.000 0.000 0.226 528 R C 2.198 178.478 176.300 -0.033 0.000 1.100 528 R CA 0.338 56.480 56.100 0.069 0.000 0.980 528 R CB -0.203 30.247 30.300 0.250 0.000 0.875 528 R HN 0.220 nan 8.270 nan 0.000 0.445 529 L N 0.764 121.823 121.223 -0.274 0.000 2.068 529 L HA -0.107 4.232 4.340 -0.000 0.000 0.204 529 L C 2.263 178.789 176.870 -0.574 0.000 1.076 529 L CA 2.050 56.460 54.840 -0.717 0.000 0.753 529 L CB -0.833 40.572 42.059 -1.090 0.000 0.910 529 L HN 0.207 nan 8.230 nan 0.000 0.439 530 T N -1.395 112.805 114.554 -0.591 0.000 2.803 530 T HA -0.262 4.088 4.350 -0.000 0.000 0.269 530 T C 1.820 176.306 174.700 -0.358 0.000 1.052 530 T CA 1.613 63.403 62.100 -0.516 0.000 1.136 530 T CB -0.625 67.865 68.868 -0.631 0.000 0.864 530 T HN 0.560 nan 8.240 nan 0.000 0.467 531 R N 0.278 120.605 120.500 -0.288 0.000 2.173 531 R HA 0.115 4.455 4.340 -0.000 0.000 0.208 531 R C 2.508 178.700 176.300 -0.179 0.000 1.035 531 R CA 0.925 56.895 56.100 -0.217 0.000 1.004 531 R CB -0.865 29.333 30.300 -0.169 0.000 0.917 531 R HN 0.581 nan 8.270 nan 0.000 0.462 532 H N 1.453 120.351 119.070 -0.287 0.000 2.395 532 H HA 0.042 4.598 4.556 -0.000 0.000 0.299 532 H C 2.066 177.192 175.328 -0.337 0.000 1.070 532 H CA 0.899 56.770 56.048 -0.294 0.000 1.356 532 H CB 0.206 29.780 29.762 -0.312 0.000 1.401 532 H HN 0.093 nan 8.280 nan 0.000 0.524 533 R N 0.881 121.071 120.500 -0.516 0.000 2.081 533 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 533 R C 2.327 178.406 176.300 -0.370 0.000 1.131 533 R CA 1.399 57.207 56.100 -0.487 0.000 0.960 533 R CB -1.103 28.962 30.300 -0.392 0.000 0.856 533 R HN 0.384 nan 8.270 nan 0.000 0.436 534 c N 0.346 118.761 118.600 -0.309 0.000 2.425 534 c HA -0.038 4.532 4.570 -0.000 0.000 0.277 534 c C 2.927 176.866 174.090 -0.252 0.000 1.280 534 c CA 0.972 57.151 56.329 -0.251 0.000 1.744 534 c CB -1.023 41.344 42.510 -0.238 0.000 1.989 534 c HN 0.532 nan 8.230 nan 0.000 0.491 535 R N -0.004 120.323 120.500 -0.289 0.000 2.075 535 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 535 R C 2.249 178.307 176.300 -0.404 0.000 1.126 535 R CA 1.489 57.408 56.100 -0.302 0.000 0.963 535 R CB -0.253 29.888 30.300 -0.265 0.000 0.858 535 R HN 0.476 nan 8.270 nan 0.000 0.435 536 M N -0.247 119.058 119.600 -0.491 0.000 2.117 536 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 536 M C 2.162 178.290 176.300 -0.287 0.000 1.065 536 M CA 1.414 56.433 55.300 -0.468 0.000 1.114 536 M CB -0.051 32.250 32.600 -0.497 0.000 1.361 536 M HN 0.059 nan 8.290 nan 0.000 0.408 537 V N 0.474 120.246 119.914 -0.236 0.000 2.332 537 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 537 V C 1.980 178.003 176.094 -0.119 0.000 1.055 537 V CA 1.948 64.158 62.300 -0.149 0.000 1.038 537 V CB -0.730 31.014 31.823 -0.132 0.000 0.651 537 V HN 0.501 nan 8.190 nan 0.000 0.450 538 E N -0.267 119.847 120.200 -0.143 0.000 2.152 538 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 538 E C 1.895 178.445 176.600 -0.084 0.000 0.983 538 E CA 0.474 56.814 56.400 -0.099 0.000 0.818 538 E CB -0.081 29.558 29.700 -0.102 0.000 0.758 538 E HN 0.506 nan 8.360 nan 0.000 0.467 539 R N -0.123 120.280 120.500 -0.161 0.000 2.547 539 R HA 0.086 4.426 4.340 -0.000 0.000 0.258 539 R C 0.852 177.162 176.300 0.017 0.000 1.115 539 R CA 0.413 56.438 56.100 -0.124 0.000 1.152 539 R CB 0.365 30.355 30.300 -0.517 0.000 1.221 539 R HN 0.276 nan 8.270 nan 0.000 0.539 540 G N 1.007 109.808 108.800 0.002 0.000 2.454 540 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.225 540 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.225 540 G C 0.325 175.225 174.900 -0.001 0.000 1.138 540 G CA -0.304 44.811 45.100 0.025 0.000 0.667 540 G HN 0.232 nan 8.290 nan 0.000 0.512 541 I N 2.826 123.385 120.570 -0.018 0.000 2.576 541 I HA 0.409 4.579 4.170 -0.000 0.000 0.288 541 I C 1.330 177.412 176.117 -0.058 0.000 1.126 541 I CA 0.222 61.489 61.300 -0.056 0.000 1.362 541 I CB -0.090 37.816 38.000 -0.157 0.000 1.419 541 I HN 0.530 nan 8.210 nan 0.000 0.533 542 A N 6.772 129.586 122.820 -0.011 0.000 2.981 542 A HA 0.525 4.845 4.320 -0.000 0.000 0.280 542 A C 0.911 178.508 177.584 0.021 0.000 1.743 542 A CA -0.380 51.654 52.037 -0.006 0.000 1.430 542 A CB -0.568 18.435 19.000 0.006 0.000 1.085 542 A HN 0.812 nan 8.150 nan 0.000 0.597 543 A N 2.127 124.943 122.820 -0.006 0.000 2.340 543 A HA 0.524 4.844 4.320 -0.000 0.000 0.268 543 A C 0.522 178.102 177.584 -0.007 0.000 1.100 543 A CA -0.496 51.558 52.037 0.029 0.000 0.803 543 A CB 0.201 19.188 19.000 -0.021 0.000 1.043 543 A HN 0.888 nan 8.150 nan 0.000 0.488 544 Q N 2.198 122.006 119.800 0.013 0.000 2.261 544 Q HA 0.494 4.834 4.340 -0.000 0.000 0.252 544 Q C -2.588 173.402 176.000 -0.018 0.000 0.915 544 Q CA -1.886 53.919 55.803 0.004 0.000 0.915 544 Q CB 0.853 29.607 28.738 0.027 0.000 1.204 544 Q HN 0.457 nan 8.270 nan 0.000 0.421 545 P HA -0.021 nan 4.420 nan 0.000 0.269 545 P C 0.109 177.421 177.300 0.020 0.000 1.215 545 P CA -0.085 62.999 63.100 -0.027 0.000 0.780 545 P CB 0.949 32.643 31.700 -0.009 0.000 0.898 546 L N 0.636 121.867 121.223 0.014 0.000 2.131 546 L HA 0.045 4.385 4.340 -0.000 0.000 0.206 546 L C 0.988 178.062 176.870 0.340 0.000 1.087 546 L CA 1.503 56.424 54.840 0.135 0.000 0.767 546 L CB -0.390 41.667 42.059 -0.004 0.000 0.917 546 L HN 0.427 nan 8.230 nan 0.000 0.441 547 Y N -1.673 118.702 120.300 0.125 0.000 2.914 547 Y HA 0.544 5.094 4.550 -0.000 0.000 0.327 547 Y C -0.847 175.115 175.900 0.105 0.000 1.440 547 Y CA -1.455 56.730 58.100 0.141 0.000 1.086 547 Y CB 0.877 39.479 38.460 0.237 0.000 1.544 547 Y HN -0.235 nan 8.280 nan 0.000 0.442 548 A N 1.494 124.146 122.820 -0.281 0.000 2.524 548 A HA 0.531 4.851 4.320 -0.000 0.000 0.250 548 A C 0.389 178.041 177.584 0.113 0.000 1.078 548 A CA 1.416 53.379 52.037 -0.123 0.000 0.761 548 A CB -1.153 17.699 19.000 -0.246 0.000 1.012 548 A HN 1.554 nan 8.150 nan 0.000 0.500 549 G N 0.739 109.604 108.800 0.109 0.000 2.364 549 G HA2 0.590 4.550 3.960 -0.000 0.000 0.286 549 G HA3 0.590 4.550 3.960 -0.000 0.000 0.286 549 G C -1.032 174.018 174.900 0.249 0.000 1.241 549 G CA 0.205 45.422 45.100 0.196 0.000 0.887 549 G HN 1.957 nan 8.290 nan 0.000 0.484 550 Y N -2.308 117.982 120.300 -0.017 0.000 2.725 550 Y HA 0.822 5.372 4.550 -0.000 0.000 0.333 550 Y C -0.478 175.393 175.900 -0.048 0.000 1.242 550 Y CA -1.713 56.368 58.100 -0.032 0.000 1.059 550 Y CB 0.527 38.972 38.460 -0.025 0.000 1.306 550 Y HN 0.814 nan 8.280 nan 0.000 0.454 551 c N 1.229 119.746 118.600 -0.139 0.000 2.967 551 c HA 0.685 5.255 4.570 -0.000 0.000 0.372 551 c C -0.464 173.536 174.090 -0.150 0.000 1.455 551 c CA -0.288 55.888 56.329 -0.254 0.000 1.638 551 c CB 1.050 43.475 42.510 -0.143 0.000 2.096 551 c HN 1.043 nan 8.230 nan 0.000 0.466 552 N N 0.000 118.620 118.700 -0.133 0.000 1.763 552 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 552 N CA 0.000 53.020 53.050 -0.050 0.000 0.885 552 N CB 0.000 38.500 38.487 0.021 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667