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 3lmy_1_A DATA FIRST_RESID 54 DATA SEQUENCE PALWPLPLSV KMTPNLLHLA PENFYISHSP NSTAGPScTL LEEAFRRYHG DATA SEQUENCE YIFXXXXXXX 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 0.000 177.206 177.300 -0.156 0.000 1.155 54 P CA 0.000 62.935 63.100 -0.276 0.000 0.800 54 P CB 0.000 31.577 31.700 -0.205 0.000 0.726 55 A N 3.373 126.130 122.820 -0.104 0.000 2.289 55 A HA 0.691 5.011 4.320 -0.000 0.000 0.298 55 A C -0.190 177.392 177.584 -0.004 0.000 1.208 55 A CA -0.574 51.438 52.037 -0.043 0.000 0.845 55 A CB 0.423 19.402 19.000 -0.036 0.000 1.125 55 A HN 0.534 nan 8.150 nan 0.000 0.517 56 L N 3.139 124.371 121.223 0.015 0.000 2.296 56 L HA 0.526 4.866 4.340 -0.000 0.000 0.286 56 L C -0.692 176.198 176.870 0.034 0.000 1.023 56 L CA -0.427 54.415 54.840 0.002 0.000 0.812 56 L CB 1.375 43.421 42.059 -0.022 0.000 1.223 56 L HN 0.793 nan 8.230 nan 0.000 0.421 57 W N 6.127 127.254 121.300 -0.289 0.000 3.326 57 W HA 0.352 5.012 4.660 -0.001 0.000 0.333 57 W C -2.909 173.357 176.519 -0.422 0.000 1.108 57 W CA -1.633 55.462 57.345 -0.416 0.000 1.245 57 W CB 2.492 31.489 29.460 -0.772 0.000 1.331 57 W HN 0.219 nan 8.180 nan 0.000 0.464 58 P HA 0.074 nan 4.420 nan 0.000 0.272 58 P C -0.390 176.660 177.300 -0.417 0.000 1.240 58 P CA -0.419 62.215 63.100 -0.777 0.000 0.791 58 P CB 0.861 32.247 31.700 -0.524 0.000 0.978 59 L N 3.824 124.840 121.223 -0.345 0.000 2.433 59 L HA 0.268 4.608 4.340 -0.000 0.000 0.275 59 L C -2.224 174.649 176.870 0.006 0.000 1.128 59 L CA -1.713 53.046 54.840 -0.135 0.000 0.875 59 L CB -0.570 41.419 42.059 -0.117 0.000 1.171 59 L HN 0.267 nan 8.230 nan 0.000 0.463 60 P HA -0.053 nan 4.420 nan 0.000 0.269 60 P C 0.657 178.022 177.300 0.108 0.000 1.217 60 P CA -0.319 62.886 63.100 0.173 0.000 0.783 60 P CB 0.529 32.312 31.700 0.139 0.000 0.898 61 L N 1.154 122.429 121.223 0.087 0.000 2.043 61 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 61 L C 0.695 177.557 176.870 -0.013 0.000 1.075 61 L CA 2.124 56.962 54.840 -0.004 0.000 0.752 61 L CB -0.468 41.548 42.059 -0.070 0.000 0.891 61 L HN 0.360 nan 8.230 nan 0.000 0.432 62 S N -1.164 114.530 115.700 -0.011 0.000 2.672 62 S HA 0.629 5.098 4.470 -0.000 0.000 0.291 62 S C -1.263 173.342 174.600 0.008 0.000 1.145 62 S CA -0.712 57.483 58.200 -0.008 0.000 1.013 62 S CB 1.177 64.363 63.200 -0.022 0.000 1.017 62 S HN -0.056 nan 8.310 nan 0.000 0.487 63 V N 6.013 125.935 119.914 0.013 0.000 2.443 63 V HA 0.526 4.646 4.120 -0.000 0.000 0.293 63 V C -0.697 175.407 176.094 0.017 0.000 1.021 63 V CA -0.706 61.606 62.300 0.021 0.000 0.848 63 V CB 1.749 33.585 31.823 0.022 0.000 0.998 63 V HN 0.814 nan 8.190 nan 0.000 0.424 64 K N 5.993 126.405 120.400 0.020 0.000 2.507 64 K HA 0.652 4.972 4.320 -0.000 0.000 0.253 64 K C -0.810 175.802 176.600 0.020 0.000 0.969 64 K CA -0.482 55.815 56.287 0.017 0.000 0.908 64 K CB 1.678 34.187 32.500 0.015 0.000 1.127 64 K HN 0.508 nan 8.250 nan 0.000 0.437 65 M N 1.669 121.278 119.600 0.016 0.000 2.528 65 M HA 0.315 4.795 4.480 -0.000 0.000 0.318 65 M C 0.544 176.854 176.300 0.015 0.000 1.195 65 M CA -0.565 54.745 55.300 0.016 0.000 1.000 65 M CB 1.737 34.344 32.600 0.011 0.000 1.615 65 M HN 0.658 nan 8.290 nan 0.000 0.469 66 T N -1.825 112.739 114.554 0.017 0.000 2.940 66 T HA 0.625 4.974 4.350 -0.000 0.000 0.288 66 T C -2.343 172.367 174.700 0.016 0.000 1.045 66 T CA -1.545 60.564 62.100 0.015 0.000 1.018 66 T CB 1.928 70.804 68.868 0.013 0.000 1.151 66 T HN 0.452 nan 8.240 nan 0.000 0.529 67 P HA 0.178 nan 4.420 nan 0.000 0.249 67 P C -0.345 176.965 177.300 0.016 0.000 1.229 67 P CA -0.195 62.917 63.100 0.019 0.000 0.788 67 P CB -0.128 31.582 31.700 0.017 0.000 1.072 68 N N 1.153 119.857 118.700 0.007 0.000 2.442 68 N HA 0.139 4.879 4.740 -0.000 0.000 0.265 68 N C 0.033 175.530 175.510 -0.021 0.000 1.138 68 N CA 0.132 53.177 53.050 -0.009 0.000 0.956 68 N CB 0.561 39.040 38.487 -0.013 0.000 1.067 68 N HN 0.148 nan 8.380 nan 0.000 0.474 69 L N 3.061 124.256 121.223 -0.047 0.000 2.292 69 L HA 0.451 4.791 4.340 -0.000 0.000 0.284 69 L C 0.269 176.985 176.870 -0.257 0.000 1.065 69 L CA -0.511 54.270 54.840 -0.099 0.000 0.806 69 L CB 0.693 42.717 42.059 -0.059 0.000 1.175 69 L HN 0.215 nan 8.230 nan 0.000 0.431 70 L N 2.457 123.522 121.223 -0.263 0.000 2.319 70 L HA 0.605 4.944 4.340 -0.000 0.000 0.267 70 L C -0.627 176.028 176.870 -0.359 0.000 1.011 70 L CA -0.996 53.648 54.840 -0.327 0.000 0.818 70 L CB 1.908 43.900 42.059 -0.111 0.000 1.316 70 L HN 0.504 nan 8.230 nan 0.000 0.432 71 H N 1.299 120.369 119.070 -0.001 0.000 2.670 71 H HA 0.692 5.248 4.556 -0.000 0.000 0.361 71 H C -1.091 174.265 175.328 0.047 0.000 1.169 71 H CA -0.736 55.317 56.048 0.008 0.000 1.198 71 H CB 2.256 32.029 29.762 0.018 0.000 1.700 71 H HN 0.190 nan 8.280 nan 0.000 0.542 72 L N 0.726 122.083 121.223 0.224 0.000 2.381 72 L HA 0.598 4.938 4.340 -0.000 0.000 0.268 72 L C -0.070 176.916 176.870 0.194 0.000 0.997 72 L CA -0.684 54.249 54.840 0.155 0.000 0.818 72 L CB 1.960 43.994 42.059 -0.041 0.000 1.310 72 L HN 0.750 nan 8.230 nan 0.000 0.416 73 A N 3.784 126.680 122.820 0.126 0.000 2.277 73 A HA 0.688 5.007 4.320 -0.000 0.000 0.318 73 A C -1.897 175.579 177.584 -0.179 0.000 1.339 73 A CA -1.341 50.716 52.037 0.033 0.000 0.875 73 A CB 0.382 19.408 19.000 0.043 0.000 1.158 73 A HN 0.568 nan 8.150 nan 0.000 0.514 74 P HA -0.228 nan 4.420 nan 0.000 0.217 74 P C 0.690 177.731 177.300 -0.433 0.000 1.162 74 P CA 1.417 63.816 63.100 -1.168 0.000 0.901 74 P CB 0.286 31.473 31.700 -0.854 0.000 0.793 75 E N -1.465 118.624 120.200 -0.184 0.000 2.359 75 E HA 0.018 4.367 4.350 -0.000 0.000 0.187 75 E C 0.458 177.078 176.600 0.033 0.000 1.081 75 E CA 0.168 56.537 56.400 -0.051 0.000 0.929 75 E CB -0.594 29.087 29.700 -0.033 0.000 1.086 75 E HN 0.172 nan 8.360 nan 0.000 0.462 76 N N -0.330 118.394 118.700 0.041 0.000 2.093 76 N HA -0.005 4.735 4.740 -0.000 0.000 0.226 76 N C -1.475 173.956 175.510 -0.131 0.000 1.388 76 N CA -0.205 52.858 53.050 0.022 0.000 0.752 76 N CB 0.283 38.769 38.487 -0.001 0.000 1.240 76 N HN 0.005 nan 8.380 nan 0.000 0.529 77 F N 1.941 121.784 119.950 -0.178 0.000 2.477 77 F HA 0.544 5.070 4.527 -0.000 0.000 0.335 77 F C -1.551 174.249 175.800 -0.001 0.000 1.130 77 F CA -0.674 57.195 58.000 -0.218 0.000 0.948 77 F CB 0.601 39.606 39.000 0.008 0.000 1.154 77 F HN -0.147 nan 8.300 nan 0.000 0.439 78 Y N 5.982 125.927 120.300 -0.591 0.000 2.420 78 Y HA 0.639 5.189 4.550 -0.000 0.000 0.334 78 Y C -0.321 175.130 175.900 -0.747 0.000 1.094 78 Y CA -2.320 55.513 58.100 -0.445 0.000 1.126 78 Y CB 0.969 39.257 38.460 -0.288 0.000 1.217 78 Y HN 0.390 nan 8.280 nan 0.000 0.462 79 I N 2.800 123.189 120.570 -0.303 0.000 2.377 79 I HA 0.596 4.766 4.170 -0.000 0.000 0.293 79 I C -0.146 175.561 176.117 -0.683 0.000 0.987 79 I CA -0.069 60.877 61.300 -0.589 0.000 1.185 79 I CB 1.264 38.889 38.000 -0.626 0.000 1.341 79 I HN 0.788 nan 8.210 nan 0.000 0.455 80 S N 3.512 118.775 115.700 -0.727 0.000 2.790 80 S HA 0.504 4.974 4.470 -0.000 0.000 0.292 80 S C -0.999 173.337 174.600 -0.440 0.000 1.197 80 S CA -1.075 56.813 58.200 -0.519 0.000 0.851 80 S CB 1.317 64.422 63.200 -0.158 0.000 1.217 80 S HN 0.486 nan 8.310 nan 0.000 0.526 81 H N 1.807 120.898 119.070 0.036 0.000 2.562 81 H HA 0.472 5.028 4.556 -0.000 0.000 0.314 81 H C 0.496 175.818 175.328 -0.009 0.000 1.079 81 H CA -0.081 55.999 56.048 0.054 0.000 1.349 81 H CB 1.042 30.860 29.762 0.094 0.000 1.432 81 H HN 0.809 nan 8.280 nan 0.000 0.479 82 S N 3.831 119.572 115.700 0.069 0.000 2.568 82 S HA 0.008 4.478 4.470 -0.000 0.000 0.282 82 S C -1.445 173.187 174.600 0.053 0.000 1.338 82 S CA -1.136 57.083 58.200 0.031 0.000 1.045 82 S CB 1.157 64.362 63.200 0.008 0.000 0.873 82 S HN 0.457 nan 8.310 nan 0.000 0.516 83 P HA -0.142 nan 4.420 nan 0.000 0.219 83 P C 0.902 178.212 177.300 0.017 0.000 1.146 83 P CA 1.293 64.406 63.100 0.023 0.000 0.808 83 P CB -0.288 31.419 31.700 0.011 0.000 0.779 84 N N -0.723 117.987 118.700 0.017 0.000 2.446 84 N HA -0.050 4.689 4.740 -0.000 0.000 0.179 84 N C 0.698 176.218 175.510 0.017 0.000 1.054 84 N CA 0.228 53.285 53.050 0.013 0.000 0.905 84 N CB -1.159 37.334 38.487 0.010 0.000 0.973 84 N HN -0.032 nan 8.380 nan 0.000 0.448 85 S N 0.282 116.003 115.700 0.035 0.000 2.554 85 S HA -0.014 4.455 4.470 -0.000 0.000 0.290 85 S C 1.410 176.017 174.600 0.012 0.000 1.309 85 S CA 0.449 58.675 58.200 0.044 0.000 1.047 85 S CB 0.321 63.586 63.200 0.109 0.000 0.828 85 S HN 0.571 nan 8.310 nan 0.000 0.509 86 T N 1.794 116.350 114.554 0.003 0.000 3.100 86 T HA 0.418 4.767 4.350 -0.000 0.000 0.253 86 T C 0.427 175.095 174.700 -0.053 0.000 1.118 86 T CA 0.280 62.367 62.100 -0.023 0.000 1.058 86 T CB -0.133 68.724 68.868 -0.018 0.000 0.953 86 T HN 0.761 nan 8.240 nan 0.000 0.515 87 A N 0.001 122.793 122.820 -0.047 0.000 2.312 87 A HA 0.859 5.179 4.320 -0.000 0.000 0.328 87 A C 0.457 177.850 177.584 -0.318 0.000 1.158 87 A CA -0.348 51.616 52.037 -0.122 0.000 0.821 87 A CB 1.248 20.221 19.000 -0.045 0.000 1.170 87 A HN 0.596 nan 8.150 nan 0.000 0.490 88 G N -0.060 108.438 108.800 -0.504 0.000 3.086 88 G HA2 0.590 4.550 3.960 -0.000 0.000 0.282 88 G HA3 0.590 4.550 3.960 -0.000 0.000 0.282 88 G C -2.361 172.125 174.900 -0.691 0.000 1.343 88 G CA -0.950 43.667 45.100 -0.805 0.000 0.895 88 G HN 0.328 nan 8.290 nan 0.000 0.557 89 P HA -0.132 nan 4.420 nan 0.000 0.216 89 P C 2.183 179.416 177.300 -0.111 0.000 1.153 89 P CA 2.410 65.442 63.100 -0.114 0.000 0.858 89 P CB -0.018 31.652 31.700 -0.050 0.000 0.789 90 S N -1.830 113.793 115.700 -0.127 0.000 2.488 90 S HA -0.185 4.285 4.470 -0.000 0.000 0.246 90 S C 1.186 175.718 174.600 -0.113 0.000 0.992 90 S CA 0.685 58.823 58.200 -0.103 0.000 0.963 90 S CB -1.860 61.281 63.200 -0.098 0.000 0.754 90 S HN 0.264 nan 8.310 nan 0.000 0.519 91 c N 3.679 122.193 118.600 -0.145 0.000 2.145 91 c HA 0.444 5.014 4.570 -0.000 0.000 0.374 91 c C 1.935 175.934 174.090 -0.152 0.000 1.035 91 c CA -0.352 55.888 56.329 -0.148 0.000 1.431 91 c CB -1.791 40.618 42.510 -0.168 0.000 1.789 91 c HN 0.607 nan 8.230 nan 0.000 0.483 92 T N 3.974 118.450 114.554 -0.131 0.000 2.653 92 T HA -0.287 4.062 4.350 -0.000 0.000 0.268 92 T C 1.731 176.335 174.700 -0.161 0.000 1.035 92 T CA 2.143 64.168 62.100 -0.126 0.000 1.154 92 T CB -0.299 68.511 68.868 -0.096 0.000 0.862 92 T HN 0.815 nan 8.240 nan 0.000 0.441 93 L N 0.291 121.411 121.223 -0.172 0.000 2.012 93 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 93 L C 2.369 179.099 176.870 -0.232 0.000 1.073 93 L CA 1.507 56.242 54.840 -0.175 0.000 0.748 93 L CB -0.345 41.601 42.059 -0.188 0.000 0.891 93 L HN 0.254 nan 8.230 nan 0.000 0.431 94 L N -0.566 120.463 121.223 -0.323 0.000 2.056 94 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 94 L C 2.795 179.083 176.870 -0.971 0.000 1.078 94 L CA 0.879 55.356 54.840 -0.605 0.000 0.749 94 L CB -0.677 41.077 42.059 -0.510 0.000 0.901 94 L HN 0.314 nan 8.230 nan 0.000 0.433 95 E N 0.170 120.026 120.200 -0.573 0.000 2.058 95 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 95 E C 2.101 178.560 176.600 -0.236 0.000 0.997 95 E CA 1.163 57.326 56.400 -0.394 0.000 0.801 95 E CB -0.150 29.453 29.700 -0.161 0.000 0.746 95 E HN 0.398 nan 8.360 nan 0.000 0.450 96 E N 0.576 120.673 120.200 -0.172 0.000 2.072 96 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 96 E C 2.050 178.642 176.600 -0.013 0.000 0.985 96 E CA 0.991 57.343 56.400 -0.079 0.000 0.801 96 E CB -0.484 29.169 29.700 -0.077 0.000 0.750 96 E HN 0.218 nan 8.360 nan 0.000 0.452 97 A N 1.525 124.338 122.820 -0.011 0.000 1.884 97 A HA -0.230 4.089 4.320 -0.000 0.000 0.219 97 A C 2.082 179.897 177.584 0.385 0.000 1.197 97 A CA 1.812 53.972 52.037 0.205 0.000 0.637 97 A CB -0.961 18.125 19.000 0.144 0.000 0.827 97 A HN 0.163 nan 8.150 nan 0.000 0.450 98 F N -0.417 119.591 119.950 0.097 0.000 2.091 98 F HA -0.158 4.368 4.527 -0.001 0.000 0.299 98 F C 2.460 178.343 175.800 0.139 0.000 1.103 98 F CA 1.424 59.478 58.000 0.090 0.000 1.228 98 F CB -1.226 37.767 39.000 -0.013 0.000 0.984 98 F HN 0.259 nan 8.300 nan 0.000 0.477 99 R N 0.722 121.369 120.500 0.246 0.000 2.073 99 R HA -0.169 4.170 4.340 -0.000 0.000 0.234 99 R C 2.542 178.889 176.300 0.079 0.000 1.134 99 R CA 1.730 57.909 56.100 0.132 0.000 0.952 99 R CB -0.193 30.128 30.300 0.036 0.000 0.850 99 R HN 0.358 nan 8.270 nan 0.000 0.433 100 R N -1.240 119.262 120.500 0.004 0.000 2.115 100 R HA -0.138 4.202 4.340 -0.000 0.000 0.226 100 R C 1.573 177.533 176.300 -0.566 0.000 1.100 100 R CA 1.504 57.432 56.100 -0.286 0.000 0.980 100 R CB -0.643 29.490 30.300 -0.278 0.000 0.875 100 R HN 0.252 nan 8.270 nan 0.000 0.445 101 Y N 0.785 121.091 120.300 0.011 0.000 2.242 101 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 101 Y C 2.736 178.724 175.900 0.146 0.000 1.137 101 Y CA 1.662 59.857 58.100 0.158 0.000 1.181 101 Y CB -0.594 38.018 38.460 0.253 0.000 0.989 101 Y HN 0.256 nan 8.280 nan 0.000 0.527 102 H N -0.102 119.122 119.070 0.256 0.000 2.289 102 H HA -0.199 4.357 4.556 -0.000 0.000 0.294 102 H C 2.313 177.773 175.328 0.220 0.000 1.095 102 H CA 1.856 58.080 56.048 0.292 0.000 1.256 102 H CB -0.604 29.311 29.762 0.255 0.000 1.359 102 H HN 0.452 nan 8.280 nan 0.000 0.487 103 G N -0.236 108.678 108.800 0.190 0.000 2.480 103 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 103 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 103 G C 1.400 176.285 174.900 -0.024 0.000 1.200 103 G CA 1.118 46.239 45.100 0.035 0.000 0.782 103 G HN 0.407 nan 8.290 nan 0.000 0.554 104 Y N 0.985 121.267 120.300 -0.029 0.000 2.069 104 Y HA -0.151 4.399 4.550 0.000 0.000 0.278 104 Y C 2.878 178.694 175.900 -0.139 0.000 1.175 104 Y CA 0.742 58.771 58.100 -0.118 0.000 1.134 104 Y CB -1.008 37.327 38.460 -0.208 0.000 0.965 104 Y HN 0.143 nan 8.280 nan 0.000 0.498 105 I N -1.804 118.741 120.570 -0.041 0.000 2.300 105 I HA -0.285 3.885 4.170 -0.000 0.000 0.252 105 I C 0.229 175.867 176.117 -0.798 0.000 1.119 105 I CA 1.325 62.337 61.300 -0.479 0.000 1.384 105 I CB -0.407 37.156 38.000 -0.728 0.000 1.062 105 I HN -0.023 nan 8.210 nan 0.000 0.426 123 Q N 1.548 121.349 119.800 0.002 0.000 2.230 123 Q HA 0.623 4.962 4.340 -0.000 0.000 0.253 123 Q C -1.044 174.986 176.000 0.050 0.000 0.919 123 Q CA -0.525 55.303 55.803 0.043 0.000 0.908 123 Q CB 1.544 30.314 28.738 0.053 0.000 1.245 123 Q HN 0.212 nan 8.270 nan 0.000 0.437 124 V N 4.933 124.909 119.914 0.102 0.000 2.328 124 V HA 0.069 4.189 4.120 -0.000 0.000 0.278 124 V C 0.654 176.864 176.094 0.193 0.000 1.021 124 V CA -0.427 61.966 62.300 0.155 0.000 0.838 124 V CB 1.299 33.270 31.823 0.246 0.000 0.999 124 V HN 0.854 nan 8.190 nan 0.000 0.447 125 Q N 2.626 122.449 119.800 0.038 0.000 2.230 125 Q HA 0.094 4.434 4.340 -0.000 0.000 0.202 125 Q C 0.390 176.166 176.000 -0.373 0.000 0.963 125 Q CA 0.852 56.584 55.803 -0.119 0.000 0.866 125 Q CB 0.515 29.157 28.738 -0.161 0.000 0.931 125 Q HN 0.775 nan 8.270 nan 0.000 0.452 126 Q N -0.625 118.955 119.800 -0.367 0.000 2.666 126 Q HA 0.360 4.700 4.340 -0.000 0.000 0.276 126 Q C -2.077 173.641 176.000 -0.470 0.000 0.952 126 Q CA -0.471 54.942 55.803 -0.650 0.000 0.850 126 Q CB 1.686 30.199 28.738 -0.374 0.000 1.512 126 Q HN 0.075 nan 8.270 nan 0.000 0.395 127 L N 3.072 123.919 121.223 -0.628 0.000 2.345 127 L HA 0.492 4.832 4.340 -0.000 0.000 0.274 127 L C -1.645 174.958 176.870 -0.445 0.000 0.999 127 L CA -0.120 54.439 54.840 -0.468 0.000 0.849 127 L CB 1.010 42.691 42.059 -0.630 0.000 1.220 127 L HN 0.566 nan 8.230 nan 0.000 0.422 128 L N 5.308 126.353 121.223 -0.297 0.000 2.371 128 L HA 0.486 4.826 4.340 -0.000 0.000 0.272 128 L C -0.519 176.216 176.870 -0.224 0.000 1.124 128 L CA -0.643 54.051 54.840 -0.243 0.000 0.816 128 L CB 1.530 43.508 42.059 -0.134 0.000 1.129 128 L HN 0.326 nan 8.230 nan 0.000 0.448 129 V N 2.387 122.174 119.914 -0.211 0.000 2.409 129 V HA 0.275 4.395 4.120 -0.000 0.000 0.291 129 V C -0.096 176.000 176.094 0.003 0.000 1.020 129 V CA -0.360 61.869 62.300 -0.119 0.000 0.848 129 V CB 1.662 33.409 31.823 -0.126 0.000 0.990 129 V HN 0.752 nan 8.190 nan 0.000 0.430 130 S N 5.739 121.449 115.700 0.017 0.000 2.566 130 S HA 0.614 5.083 4.470 -0.000 0.000 0.324 130 S C -0.557 174.072 174.600 0.048 0.000 1.081 130 S CA -0.581 57.645 58.200 0.042 0.000 1.105 130 S CB 0.326 63.541 63.200 0.025 0.000 0.981 130 S HN 0.474 nan 8.310 nan 0.000 0.464 131 I N 5.250 125.853 120.570 0.055 0.000 2.312 131 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 131 I C 1.507 177.638 176.117 0.023 0.000 1.031 131 I CA -0.029 61.290 61.300 0.031 0.000 1.293 131 I CB 0.292 38.297 38.000 0.010 0.000 1.403 131 I HN 0.565 nan 8.210 nan 0.000 0.484 132 T N 5.810 120.379 114.554 0.026 0.000 2.852 132 T HA 0.177 4.527 4.350 -0.000 0.000 0.256 132 T C 1.149 175.860 174.700 0.019 0.000 1.038 132 T CA 0.767 62.881 62.100 0.024 0.000 1.141 132 T CB 0.125 69.011 68.868 0.031 0.000 0.869 132 T HN 0.311 nan 8.240 nan 0.000 0.439 133 L N 0.483 121.719 121.223 0.021 0.000 2.492 133 L HA 0.401 4.741 4.340 -0.000 0.000 0.263 133 L C 0.330 177.205 176.870 0.009 0.000 1.062 133 L CA -1.178 53.674 54.840 0.021 0.000 0.817 133 L CB 0.350 42.430 42.059 0.035 0.000 1.441 133 L HN -0.003 nan 8.230 nan 0.000 0.493 134 Q N 0.185 119.992 119.800 0.011 0.000 2.263 134 Q HA -0.022 4.318 4.340 -0.000 0.000 0.289 134 Q C 1.091 177.080 176.000 -0.019 0.000 1.061 134 Q CA 0.199 56.001 55.803 -0.002 0.000 0.927 134 Q CB 0.779 29.524 28.738 0.011 0.000 1.154 134 Q HN 0.699 nan 8.270 nan 0.000 0.378 135 S N 2.407 118.073 115.700 -0.056 0.000 2.442 135 S HA -0.187 4.282 4.470 -0.000 0.000 0.236 135 S C 0.295 174.780 174.600 -0.193 0.000 1.007 135 S CA 0.874 59.002 58.200 -0.120 0.000 0.965 135 S CB -0.064 63.057 63.200 -0.132 0.000 0.773 135 S HN 0.843 nan 8.310 nan 0.000 0.504 136 E N -0.992 119.149 120.200 -0.097 0.000 2.586 136 E HA -0.237 4.113 4.350 -0.000 0.000 0.259 136 E C 0.826 177.317 176.600 -0.182 0.000 1.107 136 E CA 0.419 56.786 56.400 -0.055 0.000 0.754 136 E CB -2.566 27.200 29.700 0.110 0.000 1.335 136 E HN 0.694 nan 8.360 nan 0.000 0.411 137 c N 0.099 118.571 118.600 -0.214 0.000 2.403 137 c HA -0.186 4.384 4.570 -0.000 0.000 0.277 137 c C 1.862 175.844 174.090 -0.180 0.000 1.248 137 c CA 1.254 57.437 56.329 -0.244 0.000 1.762 137 c CB -0.416 41.986 42.510 -0.179 0.000 2.014 137 c HN 0.481 nan 8.230 nan 0.000 0.486 138 D N -0.083 120.250 120.400 -0.111 0.000 2.349 138 D HA 0.302 4.942 4.640 -0.000 0.000 0.214 138 D C 0.683 176.918 176.300 -0.109 0.000 1.063 138 D CA 0.345 54.282 54.000 -0.106 0.000 0.847 138 D CB 0.019 40.779 40.800 -0.066 0.000 0.933 138 D HN 0.498 nan 8.370 nan 0.000 0.513 139 A N -0.158 122.655 122.820 -0.011 0.000 2.248 139 A HA 0.617 4.937 4.320 -0.000 0.000 0.316 139 A C -0.464 177.131 177.584 0.019 0.000 1.101 139 A CA -0.459 51.629 52.037 0.085 0.000 0.875 139 A CB 0.520 19.669 19.000 0.248 0.000 1.207 139 A HN -0.036 nan 8.150 nan 0.000 0.504 140 F N 0.728 120.812 119.950 0.224 0.000 2.399 140 F HA 0.429 4.955 4.527 -0.001 0.000 0.334 140 F C -1.607 174.152 175.800 -0.068 0.000 1.097 140 F CA -2.006 56.074 58.000 0.134 0.000 1.076 140 F CB 1.008 40.056 39.000 0.079 0.000 1.162 140 F HN 0.315 nan 8.300 nan 0.000 0.495 141 P HA 0.080 nan 4.420 nan 0.000 0.268 141 P C -1.254 175.904 177.300 -0.237 0.000 1.205 141 P CA -0.120 62.522 63.100 -0.764 0.000 0.771 141 P CB 0.822 31.979 31.700 -0.906 0.000 0.858 142 N N 1.429 120.011 118.700 -0.197 0.000 2.966 142 N HA 0.192 4.931 4.740 -0.000 0.000 0.314 142 N C 0.799 176.288 175.510 -0.035 0.000 1.397 142 N CA -0.878 52.147 53.050 -0.041 0.000 0.776 142 N CB -0.227 38.294 38.487 0.056 0.000 1.576 142 N HN 0.144 nan 8.380 nan 0.000 0.592 143 I N -0.235 120.370 120.570 0.058 0.000 2.229 143 I HA -0.228 3.942 4.170 -0.000 0.000 0.250 143 I C 0.957 177.096 176.117 0.036 0.000 1.096 143 I CA 2.115 63.451 61.300 0.060 0.000 1.358 143 I CB -0.479 37.590 38.000 0.114 0.000 1.047 143 I HN 0.694 nan 8.210 nan 0.000 0.422 144 S N -1.328 114.396 115.700 0.040 0.000 2.601 144 S HA 0.342 4.811 4.470 -0.000 0.000 0.244 144 S C 0.656 175.275 174.600 0.032 0.000 1.001 144 S CA -0.522 57.703 58.200 0.041 0.000 0.984 144 S CB -0.625 62.612 63.200 0.061 0.000 0.842 144 S HN 0.237 nan 8.310 nan 0.000 0.474 145 S N 3.087 118.772 115.700 -0.026 0.000 2.558 145 S HA 0.077 4.547 4.470 -0.000 0.000 0.288 145 S C -0.027 174.625 174.600 0.086 0.000 1.318 145 S CA 0.064 58.240 58.200 -0.040 0.000 1.056 145 S CB 0.257 63.187 63.200 -0.450 0.000 0.853 145 S HN 0.517 nan 8.310 nan 0.000 0.505 146 D N 1.786 122.326 120.400 0.233 0.000 2.339 146 D HA 0.131 4.771 4.640 -0.000 0.000 0.241 146 D C 0.514 176.994 176.300 0.300 0.000 1.183 146 D CA 0.029 54.159 54.000 0.218 0.000 0.859 146 D CB 0.589 41.506 40.800 0.195 0.000 1.067 146 D HN 0.577 nan 8.370 nan 0.000 0.484 147 E N 1.008 121.345 120.200 0.228 0.000 2.476 147 E HA 0.029 4.379 4.350 -0.000 0.000 0.199 147 E C 0.377 177.181 176.600 0.340 0.000 1.021 147 E CA -0.180 56.417 56.400 0.328 0.000 0.907 147 E CB 0.439 30.330 29.700 0.319 0.000 0.974 147 E HN 0.471 nan 8.360 nan 0.000 0.489 148 S N 0.521 116.333 115.700 0.187 0.000 2.573 148 S HA 0.147 4.617 4.470 -0.000 0.000 0.277 148 S C -0.246 174.484 174.600 0.216 0.000 1.346 148 S CA -0.367 57.895 58.200 0.104 0.000 1.034 148 S CB 0.180 63.384 63.200 0.008 0.000 0.879 148 S HN 0.277 nan 8.310 nan 0.000 0.528 149 Y N -1.936 118.434 120.300 0.118 0.000 2.725 149 Y HA 0.776 5.327 4.550 0.000 0.000 0.333 149 Y C -0.690 175.257 175.900 0.080 0.000 1.242 149 Y CA -0.868 57.289 58.100 0.096 0.000 1.059 149 Y CB 0.889 39.414 38.460 0.108 0.000 1.306 149 Y HN 0.895 nan 8.280 nan 0.000 0.454 150 T N -0.001 114.703 114.554 0.250 0.000 2.896 150 T HA 0.748 5.098 4.350 -0.000 0.000 0.297 150 T C -1.695 173.178 174.700 0.287 0.000 1.108 150 T CA -0.799 61.409 62.100 0.181 0.000 1.004 150 T CB 1.982 70.894 68.868 0.074 0.000 1.159 150 T HN 0.916 nan 8.240 nan 0.000 0.499 151 L N 2.185 123.552 121.223 0.240 0.000 2.406 151 L HA 0.503 4.842 4.340 -0.000 0.000 0.270 151 L C -1.189 175.769 176.870 0.146 0.000 0.982 151 L CA -0.955 54.012 54.840 0.212 0.000 0.843 151 L CB 1.433 43.662 42.059 0.283 0.000 1.225 151 L HN 0.617 nan 8.230 nan 0.000 0.412 152 L N 5.466 126.756 121.223 0.111 0.000 2.283 152 L HA 0.414 4.753 4.340 -0.000 0.000 0.281 152 L C -0.325 176.607 176.870 0.103 0.000 1.033 152 L CA -0.777 54.115 54.840 0.087 0.000 0.848 152 L CB 1.322 43.415 42.059 0.057 0.000 1.226 152 L HN 0.224 nan 8.230 nan 0.000 0.429 153 V N 4.411 124.396 119.914 0.119 0.000 2.356 153 V HA 0.273 4.393 4.120 -0.000 0.000 0.258 153 V C 0.245 176.394 176.094 0.091 0.000 1.065 153 V CA -0.295 62.090 62.300 0.141 0.000 0.935 153 V CB 0.039 31.945 31.823 0.138 0.000 1.061 153 V HN 0.809 nan 8.190 nan 0.000 0.484 154 K N 2.914 123.364 120.400 0.084 0.000 2.512 154 K HA 0.663 4.983 4.320 -0.000 0.000 0.263 154 K C -0.819 175.809 176.600 0.047 0.000 0.966 154 K CA -0.919 55.398 56.287 0.050 0.000 0.851 154 K CB 2.724 35.246 32.500 0.035 0.000 1.395 154 K HN 0.413 nan 8.250 nan 0.000 0.440 155 E N 2.161 122.377 120.200 0.027 0.000 2.301 155 E HA 0.165 4.515 4.350 -0.000 0.000 0.275 155 E C -1.579 175.027 176.600 0.010 0.000 1.030 155 E CA -2.047 54.364 56.400 0.019 0.000 0.852 155 E CB 0.940 30.642 29.700 0.004 0.000 1.060 155 E HN 0.513 nan 8.360 nan 0.000 0.401 156 P HA 0.105 nan 4.420 nan 0.000 0.239 156 P C -0.188 177.110 177.300 -0.003 0.000 1.188 156 P CA 0.057 63.159 63.100 0.003 0.000 0.794 156 P CB 0.454 32.148 31.700 -0.009 0.000 0.937 157 V N 1.019 120.927 119.914 -0.010 0.000 2.378 157 V HA 0.599 4.719 4.120 -0.000 0.000 0.288 157 V C 0.349 176.437 176.094 -0.011 0.000 1.016 157 V CA -1.140 61.140 62.300 -0.034 0.000 0.840 157 V CB 1.077 32.868 31.823 -0.053 0.000 0.994 157 V HN 0.143 nan 8.190 nan 0.000 0.431 158 A N 5.061 127.883 122.820 0.003 0.000 2.287 158 A HA 0.811 5.130 4.320 -0.000 0.000 0.273 158 A C -0.447 177.111 177.584 -0.045 0.000 1.091 158 A CA -0.354 51.701 52.037 0.030 0.000 0.817 158 A CB 0.995 20.080 19.000 0.141 0.000 1.069 158 A HN 0.712 nan 8.150 nan 0.000 0.492 159 V N 1.561 121.466 119.914 -0.015 0.000 2.577 159 V HA 0.414 4.534 4.120 -0.000 0.000 0.303 159 V C -1.005 175.078 176.094 -0.018 0.000 1.042 159 V CA -0.435 61.842 62.300 -0.038 0.000 0.872 159 V CB 1.382 33.197 31.823 -0.013 0.000 0.998 159 V HN 0.821 nan 8.190 nan 0.000 0.423 160 L N 5.059 126.244 121.223 -0.064 0.000 2.305 160 L HA 0.686 5.026 4.340 -0.000 0.000 0.284 160 L C -0.449 176.431 176.870 0.016 0.000 1.013 160 L CA -0.132 54.696 54.840 -0.020 0.000 0.819 160 L CB 1.198 43.191 42.059 -0.110 0.000 1.227 160 L HN 0.715 nan 8.230 nan 0.000 0.417 161 K N 4.668 125.117 120.400 0.082 0.000 2.463 161 K HA 0.898 5.218 4.320 -0.000 0.000 0.255 161 K C -1.672 175.003 176.600 0.124 0.000 0.942 161 K CA -0.385 55.949 56.287 0.079 0.000 0.814 161 K CB 1.508 34.046 32.500 0.064 0.000 1.122 161 K HN 0.824 nan 8.250 nan 0.000 0.425 162 A N 3.263 126.146 122.820 0.104 0.000 2.539 162 A HA 0.337 4.657 4.320 -0.000 0.000 0.296 162 A C -0.230 177.404 177.584 0.083 0.000 1.073 162 A CA -0.863 51.251 52.037 0.128 0.000 0.700 162 A CB 1.373 20.462 19.000 0.149 0.000 1.296 162 A HN 0.830 nan 8.150 nan 0.000 0.405 163 N N 0.521 119.275 118.700 0.090 0.000 2.223 163 N HA -0.051 4.689 4.740 -0.000 0.000 0.185 163 N C 0.067 175.605 175.510 0.046 0.000 1.016 163 N CA 1.218 54.310 53.050 0.069 0.000 0.863 163 N CB -0.068 38.469 38.487 0.082 0.000 0.983 163 N HN 0.573 nan 8.380 nan 0.000 0.429 164 R N -0.981 119.542 120.500 0.039 0.000 2.668 164 R HA 0.210 4.550 4.340 -0.000 0.000 0.272 164 R C 0.880 177.078 176.300 -0.170 0.000 1.019 164 R CA -0.618 55.444 56.100 -0.064 0.000 0.894 164 R CB 1.043 31.362 30.300 0.031 0.000 1.228 164 R HN -0.271 nan 8.270 nan 0.000 0.460 165 V N 1.265 120.957 119.914 -0.369 0.000 2.319 165 V HA -0.340 3.780 4.120 -0.000 0.000 0.264 165 V C 1.483 177.321 176.094 -0.427 0.000 1.107 165 V CA 2.703 64.696 62.300 -0.511 0.000 1.101 165 V CB -0.300 31.039 31.823 -0.807 0.000 0.704 165 V HN 0.762 nan 8.190 nan 0.000 0.454 166 W N -0.320 121.026 121.300 0.077 0.000 2.358 166 W HA 0.006 4.666 4.660 -0.001 0.000 0.303 166 W C 2.488 179.091 176.519 0.139 0.000 1.208 166 W CA 0.827 58.233 57.345 0.103 0.000 1.274 166 W CB -1.279 28.250 29.460 0.116 0.000 1.138 166 W HN 0.297 nan 8.180 nan 0.000 0.515 167 G N 0.938 109.932 108.800 0.322 0.000 2.446 167 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 167 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 167 G C 1.713 176.717 174.900 0.172 0.000 1.168 167 G CA 1.929 47.227 45.100 0.330 0.000 0.771 167 G HN 0.342 nan 8.290 nan 0.000 0.551 168 A N 0.651 123.513 122.820 0.070 0.000 1.883 168 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 168 A C 2.488 180.027 177.584 -0.074 0.000 1.186 168 A CA 1.583 53.611 52.037 -0.016 0.000 0.624 168 A CB -0.510 18.491 19.000 0.001 0.000 0.822 168 A HN 0.374 nan 8.150 nan 0.000 0.444 169 L N -1.026 120.193 121.223 -0.005 0.000 2.012 169 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 169 L C 2.922 179.755 176.870 -0.062 0.000 1.073 169 L CA 1.407 56.250 54.840 0.005 0.000 0.748 169 L CB -0.626 41.507 42.059 0.123 0.000 0.891 169 L HN 0.300 nan 8.230 nan 0.000 0.431 170 R N 0.417 120.914 120.500 -0.005 0.000 2.097 170 R HA -0.147 4.192 4.340 -0.000 0.000 0.236 170 R C 2.306 178.321 176.300 -0.476 0.000 1.135 170 R CA 1.648 57.685 56.100 -0.104 0.000 0.934 170 R CB -1.735 28.688 30.300 0.205 0.000 0.846 170 R HN 0.455 nan 8.270 nan 0.000 0.431 171 G N 1.666 109.873 108.800 -0.988 0.000 2.513 171 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 171 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 171 G C 1.713 176.305 174.900 -0.514 0.000 1.160 171 G CA 0.957 45.302 45.100 -1.259 0.000 0.767 171 G HN 0.231 nan 8.290 nan 0.000 0.571 172 L N 0.131 121.101 121.223 -0.423 0.000 2.043 172 L HA -0.163 4.176 4.340 -0.000 0.000 0.212 172 L C 2.838 179.393 176.870 -0.525 0.000 1.075 172 L CA 1.722 56.277 54.840 -0.474 0.000 0.752 172 L CB -0.363 41.302 42.059 -0.657 0.000 0.891 172 L HN 0.288 nan 8.230 nan 0.000 0.432 173 E N -0.073 119.863 120.200 -0.440 0.000 2.077 173 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 173 E C 1.998 178.560 176.600 -0.064 0.000 0.989 173 E CA 2.085 58.404 56.400 -0.135 0.000 0.800 173 E CB -0.208 29.508 29.700 0.027 0.000 0.746 173 E HN 0.334 nan 8.360 nan 0.000 0.452 174 T N 0.239 114.725 114.554 -0.113 0.000 2.708 174 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 174 T C 1.530 176.240 174.700 0.015 0.000 1.037 174 T CA 1.270 63.351 62.100 -0.032 0.000 1.146 174 T CB -0.641 68.247 68.868 0.033 0.000 0.865 174 T HN 0.266 nan 8.240 nan 0.000 0.435 175 F N 2.809 122.684 119.950 -0.124 0.000 2.120 175 F HA -0.230 4.297 4.527 -0.000 0.000 0.300 175 F C 2.626 178.385 175.800 -0.070 0.000 1.095 175 F CA 1.736 59.687 58.000 -0.082 0.000 1.249 175 F CB -0.487 38.454 39.000 -0.099 0.000 0.995 175 F HN 0.222 nan 8.300 nan 0.000 0.480 176 S N -0.137 115.624 115.700 0.101 0.000 2.368 176 S HA -0.290 4.180 4.470 -0.000 0.000 0.225 176 S C 1.800 176.345 174.600 -0.091 0.000 1.030 176 S CA 1.384 59.612 58.200 0.047 0.000 0.999 176 S CB -1.038 62.317 63.200 0.258 0.000 0.844 176 S HN 0.641 nan 8.310 nan 0.000 0.459 177 Q N 0.782 120.544 119.800 -0.064 0.000 2.364 177 Q HA 0.078 4.418 4.340 -0.000 0.000 0.209 177 Q C 2.053 177.992 176.000 -0.100 0.000 0.977 177 Q CA 1.021 56.782 55.803 -0.070 0.000 0.885 177 Q CB -0.494 28.222 28.738 -0.037 0.000 0.941 177 Q HN 0.594 nan 8.270 nan 0.000 0.464 178 L N -0.308 120.809 121.223 -0.178 0.000 2.249 178 L HA 0.046 4.386 4.340 -0.000 0.000 0.207 178 L C 0.841 177.626 176.870 -0.142 0.000 1.090 178 L CA -0.086 54.648 54.840 -0.178 0.000 0.802 178 L CB 0.218 42.128 42.059 -0.248 0.000 0.947 178 L HN -0.047 nan 8.230 nan 0.000 0.453 179 V N 0.411 120.128 119.914 -0.327 0.000 2.843 179 V HA -0.002 4.118 4.120 -0.000 0.000 0.305 179 V C -0.378 175.721 176.094 0.008 0.000 1.065 179 V CA 0.146 62.292 62.300 -0.257 0.000 1.116 179 V CB 0.202 31.741 31.823 -0.473 0.000 0.968 179 V HN 0.312 nan 8.190 nan 0.000 0.487 180 Y N 1.281 121.529 120.300 -0.087 0.000 2.702 180 Y HA 0.630 5.181 4.550 0.001 0.000 0.336 180 Y C -1.070 174.792 175.900 -0.064 0.000 1.203 180 Y CA -1.446 56.617 58.100 -0.063 0.000 1.072 180 Y CB 1.227 39.635 38.460 -0.086 0.000 1.327 180 Y HN 0.495 nan 8.280 nan 0.000 0.456 181 Q N 2.224 122.010 119.800 -0.024 0.000 2.282 181 Q HA 0.327 4.667 4.340 -0.000 0.000 0.260 181 Q C -1.040 174.930 176.000 -0.050 0.000 0.964 181 Q CA -1.091 54.571 55.803 -0.234 0.000 0.880 181 Q CB 2.120 30.637 28.738 -0.368 0.000 1.286 181 Q HN 0.765 nan 8.270 nan 0.000 0.445 182 D N 0.061 120.398 120.400 -0.105 0.000 2.414 182 D HA 0.017 4.657 4.640 -0.000 0.000 0.259 182 D C 0.468 176.734 176.300 -0.058 0.000 1.269 182 D CA -0.436 53.572 54.000 0.013 0.000 1.028 182 D CB 0.370 41.202 40.800 0.052 0.000 1.093 182 D HN 0.368 nan 8.370 nan 0.000 0.545 183 S N -1.587 114.055 115.700 -0.097 0.000 2.465 183 S HA -0.183 4.286 4.470 -0.000 0.000 0.241 183 S C 1.058 175.406 174.600 -0.420 0.000 1.000 183 S CA 0.884 58.913 58.200 -0.286 0.000 0.964 183 S CB -0.681 62.254 63.200 -0.442 0.000 0.763 183 S HN 0.500 nan 8.310 nan 0.000 0.512 184 Y N 0.780 121.029 120.300 -0.085 0.000 2.485 184 Y HA 0.437 4.986 4.550 -0.000 0.000 0.260 184 Y C 1.847 177.663 175.900 -0.139 0.000 1.173 184 Y CA -0.192 57.850 58.100 -0.097 0.000 1.252 184 Y CB 0.142 38.548 38.460 -0.090 0.000 1.123 184 Y HN 0.316 nan 8.280 nan 0.000 0.524 185 G N -0.489 108.256 108.800 -0.091 0.000 2.234 185 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.235 185 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.235 185 G C 0.363 175.028 174.900 -0.393 0.000 0.997 185 G CA 0.114 45.082 45.100 -0.220 0.000 0.623 185 G HN 0.240 nan 8.290 nan 0.000 0.514 186 T N 2.435 116.828 114.554 -0.268 0.000 2.853 186 T HA 0.455 4.805 4.350 -0.000 0.000 0.298 186 T C 0.190 174.664 174.700 -0.377 0.000 0.978 186 T CA 0.074 61.985 62.100 -0.315 0.000 1.152 186 T CB 0.585 69.263 68.868 -0.317 0.000 0.914 186 T HN 0.203 nan 8.240 nan 0.000 0.539 187 F N 2.677 122.545 119.950 -0.137 0.000 2.504 187 F HA 0.347 4.873 4.527 -0.001 0.000 0.369 187 F C 1.342 177.033 175.800 -0.183 0.000 1.082 187 F CA -0.109 57.787 58.000 -0.174 0.000 1.216 187 F CB 0.448 39.407 39.000 -0.068 0.000 1.108 187 F HN 0.455 nan 8.300 nan 0.000 0.554 188 T N 5.057 119.452 114.554 -0.264 0.000 2.916 188 T HA 0.677 5.027 4.350 -0.000 0.000 0.305 188 T C -1.312 173.077 174.700 -0.518 0.000 1.119 188 T CA -0.600 61.279 62.100 -0.369 0.000 1.008 188 T CB 2.089 70.604 68.868 -0.588 0.000 1.129 188 T HN 0.499 nan 8.240 nan 0.000 0.480 189 I N 1.864 122.298 120.570 -0.227 0.000 2.802 189 I HA 0.531 4.701 4.170 -0.000 0.000 0.298 189 I C -1.486 174.631 176.117 0.001 0.000 1.176 189 I CA -0.746 60.502 61.300 -0.086 0.000 1.025 189 I CB 2.136 40.033 38.000 -0.170 0.000 1.243 189 I HN 0.452 nan 8.210 nan 0.000 0.424 190 N N 4.702 123.445 118.700 0.072 0.000 2.518 190 N HA 0.241 4.981 4.740 -0.000 0.000 0.283 190 N C -0.985 174.538 175.510 0.022 0.000 1.119 190 N CA -0.339 52.740 53.050 0.049 0.000 0.983 190 N CB 0.758 39.282 38.487 0.061 0.000 1.139 190 N HN 0.512 nan 8.380 nan 0.000 0.465 191 E N 0.546 120.755 120.200 0.015 0.000 2.465 191 E HA 0.149 4.498 4.350 -0.000 0.000 0.260 191 E C -0.396 176.222 176.600 0.029 0.000 0.980 191 E CA 0.448 56.861 56.400 0.022 0.000 0.927 191 E CB 0.271 29.980 29.700 0.014 0.000 0.934 191 E HN 0.712 nan 8.360 nan 0.000 0.459 192 S N 1.566 117.291 115.700 0.041 0.000 2.615 192 S HA 0.437 4.907 4.470 -0.000 0.000 0.268 192 S C -0.891 173.742 174.600 0.055 0.000 1.146 192 S CA -1.119 57.106 58.200 0.042 0.000 0.818 192 S CB 1.893 65.116 63.200 0.038 0.000 1.111 192 S HN 0.284 nan 8.310 nan 0.000 0.465 193 T N 1.175 115.759 114.554 0.050 0.000 2.861 193 T HA 0.703 5.053 4.350 -0.000 0.000 0.287 193 T C -0.922 173.814 174.700 0.060 0.000 1.003 193 T CA -0.372 61.763 62.100 0.058 0.000 0.977 193 T CB 0.985 69.877 68.868 0.040 0.000 0.996 193 T HN 0.623 nan 8.240 nan 0.000 0.448 194 I N 2.888 123.509 120.570 0.085 0.000 2.466 194 I HA 0.493 4.663 4.170 -0.000 0.000 0.289 194 I C -0.834 175.303 176.117 0.033 0.000 1.026 194 I CA -0.723 60.627 61.300 0.083 0.000 1.078 194 I CB 1.616 39.709 38.000 0.154 0.000 1.249 194 I HN 0.521 nan 8.210 nan 0.000 0.429 195 I N 5.374 125.925 120.570 -0.031 0.000 2.389 195 I HA 0.446 4.616 4.170 -0.000 0.000 0.288 195 I C -1.093 174.913 176.117 -0.186 0.000 0.999 195 I CA -0.387 60.844 61.300 -0.114 0.000 1.129 195 I CB 1.588 39.545 38.000 -0.071 0.000 1.288 195 I HN 0.429 nan 8.210 nan 0.000 0.444 196 D N 4.175 124.333 120.400 -0.404 0.000 2.857 196 D HA 0.684 5.323 4.640 -0.000 0.000 0.227 196 D C -1.194 174.907 176.300 -0.331 0.000 1.192 196 D CA -0.060 53.721 54.000 -0.365 0.000 0.857 196 D CB 2.181 42.703 40.800 -0.463 0.000 1.645 196 D HN 0.578 nan 8.370 nan 0.000 0.482 197 S N 1.774 117.331 115.700 -0.239 0.000 2.552 197 S HA 0.727 5.197 4.470 -0.000 0.000 0.272 197 S C -3.084 170.991 174.600 -0.875 0.000 1.150 197 S CA -1.235 56.730 58.200 -0.390 0.000 0.849 197 S CB 1.710 64.757 63.200 -0.256 0.000 1.113 197 S HN 0.136 nan 8.310 nan 0.000 0.458 198 P HA 0.384 nan 4.420 nan 0.000 0.275 198 P C 0.451 177.308 177.300 -0.739 0.000 1.227 198 P CA -0.577 61.623 63.100 -1.500 0.000 0.781 198 P CB 0.583 31.663 31.700 -1.033 0.000 0.906 199 R N 1.914 122.044 120.500 -0.617 0.000 2.115 199 R HA 0.044 4.383 4.340 -0.000 0.000 0.226 199 R C -0.288 175.584 176.300 -0.713 0.000 1.100 199 R CA 1.162 56.917 56.100 -0.576 0.000 0.980 199 R CB -0.016 29.985 30.300 -0.498 0.000 0.875 199 R HN 0.382 nan 8.270 nan 0.000 0.445 200 F N -1.369 118.526 119.950 -0.091 0.000 2.588 200 F HA 0.236 4.762 4.527 -0.002 0.000 0.314 200 F C 0.990 176.783 175.800 -0.012 0.000 1.069 200 F CA -0.828 57.183 58.000 0.017 0.000 0.931 200 F CB 2.275 41.358 39.000 0.138 0.000 1.260 200 F HN -0.116 nan 8.300 nan 0.000 0.465 201 S N -1.143 114.693 115.700 0.227 0.000 2.497 201 S HA 0.066 4.536 4.470 -0.000 0.000 0.221 201 S C 0.203 174.878 174.600 0.125 0.000 1.037 201 S CA 0.222 58.492 58.200 0.117 0.000 0.920 201 S CB -0.467 62.778 63.200 0.074 0.000 0.800 201 S HN 0.702 nan 8.310 nan 0.000 0.505 202 H N 2.085 121.193 119.070 0.063 0.000 2.741 202 H HA 0.496 5.052 4.556 -0.001 0.000 0.282 202 H C -0.370 174.991 175.328 0.055 0.000 1.122 202 H CA -0.601 55.455 56.048 0.014 0.000 1.293 202 H CB 0.237 29.950 29.762 -0.083 0.000 1.415 202 H HN 0.127 nan 8.280 nan 0.000 0.472 203 R N 4.414 124.899 120.500 -0.025 0.000 2.587 203 R HA 0.270 4.610 4.340 -0.000 0.000 0.283 203 R C -0.135 176.304 176.300 0.232 0.000 1.472 203 R CA -0.586 55.567 56.100 0.089 0.000 1.578 203 R CB 1.310 31.630 30.300 0.033 0.000 1.130 203 R HN 0.630 nan 8.270 nan 0.000 0.602 204 G N 1.769 110.696 108.800 0.213 0.000 2.476 204 G HA2 0.459 4.419 3.960 -0.000 0.000 0.286 204 G HA3 0.459 4.419 3.960 -0.000 0.000 0.286 204 G C -0.262 174.725 174.900 0.145 0.000 1.177 204 G CA -0.391 44.816 45.100 0.179 0.000 0.870 204 G HN 0.243 nan 8.290 nan 0.000 0.528 205 I N 1.008 121.539 120.570 -0.065 0.000 2.436 205 I HA 0.308 4.477 4.170 -0.000 0.000 0.289 205 I C -0.336 175.661 176.117 -0.201 0.000 1.010 205 I CA -0.689 60.450 61.300 -0.268 0.000 1.098 205 I CB 1.545 39.284 38.000 -0.434 0.000 1.266 205 I HN 0.348 nan 8.210 nan 0.000 0.434 206 L N 8.146 129.183 121.223 -0.310 0.000 2.275 206 L HA 0.623 4.963 4.340 -0.000 0.000 0.288 206 L C -0.459 176.090 176.870 -0.534 0.000 1.046 206 L CA -0.443 54.114 54.840 -0.472 0.000 0.805 206 L CB 0.969 42.540 42.059 -0.813 0.000 1.193 206 L HN 0.594 nan 8.230 nan 0.000 0.426 207 I N 1.032 121.355 120.570 -0.413 0.000 2.603 207 I HA 0.553 4.723 4.170 -0.000 0.000 0.300 207 I C -1.231 174.754 176.117 -0.221 0.000 1.017 207 I CA -0.703 60.396 61.300 -0.335 0.000 1.098 207 I CB 1.957 39.782 38.000 -0.291 0.000 1.279 207 I HN 0.448 nan 8.210 nan 0.000 0.437 208 D N 3.858 124.174 120.400 -0.141 0.000 2.441 208 D HA 0.270 4.910 4.640 -0.000 0.000 0.231 208 D C 0.309 176.704 176.300 0.159 0.000 1.073 208 D CA -0.408 53.613 54.000 0.034 0.000 0.850 208 D CB 1.637 42.450 40.800 0.022 0.000 1.062 208 D HN 0.755 nan 8.370 nan 0.000 0.524 209 T N -0.070 114.651 114.554 0.280 0.000 3.214 209 T HA 0.150 4.500 4.350 -0.000 0.000 0.264 209 T C 1.111 176.018 174.700 0.346 0.000 1.012 209 T CA -0.207 62.108 62.100 0.359 0.000 0.901 209 T CB 0.376 69.616 68.868 0.619 0.000 1.070 209 T HN 0.148 nan 8.240 nan 0.000 0.561 210 S N 0.849 116.701 115.700 0.253 0.000 2.655 210 S HA 0.154 4.624 4.470 -0.000 0.000 0.231 210 S C 2.009 176.698 174.600 0.148 0.000 1.044 210 S CA -0.153 58.143 58.200 0.159 0.000 0.910 210 S CB -0.015 63.256 63.200 0.118 0.000 0.833 210 S HN 0.261 nan 8.310 nan 0.000 0.581 211 R N 0.846 121.421 120.500 0.125 0.000 2.119 211 R HA 0.071 4.411 4.340 -0.000 0.000 0.246 211 R C 0.114 176.298 176.300 -0.193 0.000 1.146 211 R CA 1.585 57.683 56.100 -0.003 0.000 0.962 211 R CB -0.657 29.633 30.300 -0.017 0.000 0.863 211 R HN 0.584 nan 8.270 nan 0.000 0.442 212 H N -3.386 115.831 119.070 0.245 0.000 2.851 212 H HA 0.253 4.808 4.556 -0.001 0.000 0.372 212 H C -1.539 174.001 175.328 0.354 0.000 1.158 212 H CA -0.992 55.218 56.048 0.271 0.000 1.159 212 H CB 1.466 31.310 29.762 0.137 0.000 1.757 212 H HN 0.013 nan 8.280 nan 0.000 0.546 213 Y N 3.056 123.600 120.300 0.407 0.000 2.365 213 Y HA 0.314 4.864 4.550 -0.000 0.000 0.340 213 Y C -1.053 175.028 175.900 0.302 0.000 1.016 213 Y CA -0.515 57.798 58.100 0.356 0.000 1.196 213 Y CB 0.370 39.062 38.460 0.387 0.000 1.167 213 Y HN 0.433 nan 8.280 nan 0.000 0.509 214 L N 9.791 130.937 121.223 -0.128 0.000 2.275 214 L HA 0.399 4.738 4.340 -0.000 0.000 0.288 214 L C -2.087 174.566 176.870 -0.363 0.000 1.046 214 L CA -2.200 52.561 54.840 -0.132 0.000 0.805 214 L CB 1.058 43.079 42.059 -0.064 0.000 1.193 214 L HN 0.571 nan 8.230 nan 0.000 0.426 215 P HA 0.038 nan 4.420 nan 0.000 0.272 215 P C 1.054 178.340 177.300 -0.024 0.000 1.223 215 P CA -0.372 62.707 63.100 -0.034 0.000 0.784 215 P CB 1.098 32.850 31.700 0.088 0.000 0.923 216 V N 2.034 121.985 119.914 0.063 0.000 2.282 216 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 216 V C 2.433 178.464 176.094 -0.106 0.000 1.057 216 V CA 1.932 64.230 62.300 -0.003 0.000 1.032 216 V CB -0.985 30.874 31.823 0.059 0.000 0.645 216 V HN 0.618 nan 8.190 nan 0.000 0.447 217 K N -0.562 119.794 120.400 -0.073 0.000 2.077 217 K HA -0.251 4.068 4.320 -0.000 0.000 0.213 217 K C 2.024 178.553 176.600 -0.119 0.000 1.051 217 K CA 2.116 58.342 56.287 -0.101 0.000 0.929 217 K CB -0.791 31.680 32.500 -0.048 0.000 0.715 217 K HN 0.450 nan 8.250 nan 0.000 0.451 218 I N 0.719 121.235 120.570 -0.091 0.000 2.546 218 I HA -0.169 4.001 4.170 -0.000 0.000 0.255 218 I C 2.042 178.078 176.117 -0.135 0.000 1.163 218 I CA 0.621 61.870 61.300 -0.085 0.000 1.457 218 I CB 0.068 38.034 38.000 -0.056 0.000 1.092 218 I HN 0.065 nan 8.210 nan 0.000 0.434 219 I N -0.316 120.135 120.570 -0.198 0.000 2.252 219 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 219 I C 2.197 178.161 176.117 -0.256 0.000 1.102 219 I CA 1.192 62.322 61.300 -0.283 0.000 1.385 219 I CB -0.277 37.456 38.000 -0.445 0.000 1.064 219 I HN 0.138 nan 8.210 nan 0.000 0.414 220 L N 0.316 121.354 121.223 -0.308 0.000 2.042 220 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 220 L C 2.494 179.247 176.870 -0.194 0.000 1.076 220 L CA 1.566 56.147 54.840 -0.433 0.000 0.749 220 L CB -0.775 40.788 42.059 -0.828 0.000 0.893 220 L HN 0.215 nan 8.230 nan 0.000 0.432 221 K N -0.366 119.952 120.400 -0.138 0.000 2.097 221 K HA -0.116 4.203 4.320 -0.000 0.000 0.206 221 K C 2.096 178.646 176.600 -0.083 0.000 1.049 221 K CA 1.763 58.005 56.287 -0.076 0.000 0.933 221 K CB -0.314 32.159 32.500 -0.045 0.000 0.717 221 K HN 0.313 nan 8.250 nan 0.000 0.442 222 T N 2.323 116.849 114.554 -0.045 0.000 2.684 222 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 222 T C 1.902 176.592 174.700 -0.017 0.000 1.036 222 T CA 1.137 63.257 62.100 0.033 0.000 1.148 222 T CB -0.308 68.552 68.868 -0.014 0.000 0.863 222 T HN 0.114 nan 8.240 nan 0.000 0.436 223 L N 0.975 122.175 121.223 -0.038 0.000 2.013 223 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 223 L C 2.561 179.372 176.870 -0.098 0.000 1.073 223 L CA 1.437 56.281 54.840 0.007 0.000 0.753 223 L CB -0.718 41.435 42.059 0.157 0.000 0.890 223 L HN 0.200 nan 8.230 nan 0.000 0.432 224 D N -0.009 120.296 120.400 -0.158 0.000 2.123 224 D HA -0.171 4.468 4.640 -0.000 0.000 0.196 224 D C 2.174 177.777 176.300 -1.161 0.000 0.992 224 D CA 1.587 55.246 54.000 -0.568 0.000 0.833 224 D CB -0.048 40.512 40.800 -0.400 0.000 0.954 224 D HN 0.360 nan 8.370 nan 0.000 0.455 225 A N 0.092 122.449 122.820 -0.770 0.000 1.968 225 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 225 A C 2.233 179.388 177.584 -0.714 0.000 1.169 225 A CA 0.820 52.302 52.037 -0.925 0.000 0.638 225 A CB -0.410 17.896 19.000 -1.157 0.000 0.812 225 A HN 0.121 nan 8.150 nan 0.000 0.446 226 M N -0.467 118.954 119.600 -0.298 0.000 2.117 226 M HA -0.147 4.333 4.480 -0.000 0.000 0.262 226 M C 2.544 178.888 176.300 0.074 0.000 1.065 226 M CA 1.418 56.751 55.300 0.055 0.000 1.114 226 M CB -0.376 32.286 32.600 0.103 0.000 1.361 226 M HN 0.489 nan 8.290 nan 0.000 0.408 227 A N 0.560 123.317 122.820 -0.104 0.000 1.859 227 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 227 A C 1.750 179.393 177.584 0.098 0.000 1.198 227 A CA 1.759 53.784 52.037 -0.020 0.000 0.629 227 A CB -1.182 17.769 19.000 -0.081 0.000 0.830 227 A HN 0.457 nan 8.150 nan 0.000 0.446 228 F N 0.507 120.435 119.950 -0.037 0.000 2.287 228 F HA -0.136 4.391 4.527 -0.001 0.000 0.301 228 F C 1.959 177.796 175.800 0.060 0.000 1.069 228 F CA 0.833 58.805 58.000 -0.046 0.000 1.372 228 F CB -0.848 38.034 39.000 -0.197 0.000 1.056 228 F HN 0.319 nan 8.300 nan 0.000 0.523 229 N N 0.223 119.077 118.700 0.257 0.000 2.230 229 N HA -0.015 4.725 4.740 -0.000 0.000 0.202 229 N C 0.110 175.709 175.510 0.148 0.000 1.119 229 N CA 0.078 53.332 53.050 0.340 0.000 0.851 229 N CB 0.239 39.098 38.487 0.621 0.000 0.990 229 N HN 0.218 nan 8.380 nan 0.000 0.497 230 K N 0.240 120.671 120.400 0.052 0.000 3.069 230 K HA -0.190 4.130 4.320 -0.000 0.000 0.267 230 K C -0.639 175.998 176.600 0.062 0.000 1.082 230 K CA 0.626 56.873 56.287 -0.067 0.000 0.782 230 K CB -2.076 30.093 32.500 -0.553 0.000 1.230 230 K HN 0.126 nan 8.250 nan 0.000 0.488 231 F N 1.671 121.691 119.950 0.118 0.000 2.382 231 F HA 0.117 4.644 4.527 0.000 0.000 0.331 231 F C 1.620 177.475 175.800 0.091 0.000 1.121 231 F CA 0.104 58.181 58.000 0.129 0.000 1.183 231 F CB 0.651 39.738 39.000 0.145 0.000 1.207 231 F HN 0.183 nan 8.300 nan 0.000 0.555 232 N N -0.464 118.379 118.700 0.238 0.000 2.143 232 N HA 0.139 4.879 4.740 -0.000 0.000 0.229 232 N C -1.329 174.195 175.510 0.024 0.000 1.294 232 N CA 0.139 53.259 53.050 0.115 0.000 0.883 232 N CB 0.332 38.868 38.487 0.081 0.000 1.148 232 N HN 0.148 nan 8.380 nan 0.000 0.511 233 V N 1.748 121.665 119.914 0.004 0.000 2.443 233 V HA 0.391 4.511 4.120 -0.000 0.000 0.293 233 V C -0.973 175.120 176.094 -0.002 0.000 1.021 233 V CA -0.946 61.307 62.300 -0.078 0.000 0.848 233 V CB 1.938 33.543 31.823 -0.362 0.000 0.998 233 V HN 0.208 nan 8.190 nan 0.000 0.424 234 L N 5.138 126.375 121.223 0.022 0.000 2.268 234 L HA 0.451 4.790 4.340 -0.000 0.000 0.289 234 L C 0.129 177.055 176.870 0.094 0.000 1.064 234 L CA 0.205 55.054 54.840 0.014 0.000 0.824 234 L CB 0.300 42.340 42.059 -0.032 0.000 1.202 234 L HN 0.766 nan 8.230 nan 0.000 0.433 235 H N 5.532 124.582 119.070 -0.033 0.000 2.969 235 H HA 0.065 4.621 4.556 -0.001 0.000 0.269 235 H C -1.008 174.330 175.328 0.017 0.000 1.223 235 H CA -0.741 55.305 56.048 -0.003 0.000 1.400 235 H CB 0.325 30.071 29.762 -0.027 0.000 1.500 235 H HN 0.759 nan 8.280 nan 0.000 0.486 236 W N 7.010 128.350 121.300 0.067 0.000 2.430 236 W HA 0.067 4.727 4.660 -0.000 0.000 0.380 236 W C -0.580 175.861 176.519 -0.131 0.000 1.045 236 W CA -0.861 56.435 57.345 -0.082 0.000 1.547 236 W CB -1.091 28.299 29.460 -0.117 0.000 1.554 236 W HN 0.688 nan 8.180 nan 0.000 0.378 237 H N 5.459 124.592 119.070 0.105 0.000 3.224 237 H HA 0.066 4.622 4.556 -0.000 0.000 0.265 237 H C 1.381 176.662 175.328 -0.078 0.000 1.461 237 H CA 0.418 56.411 56.048 -0.091 0.000 1.509 237 H CB 0.142 29.770 29.762 -0.225 0.000 1.686 237 H HN 0.586 nan 8.280 nan 0.000 0.514 238 I N 4.059 124.308 120.570 -0.535 0.000 2.584 238 I HA -0.013 4.157 4.170 -0.000 0.000 0.255 238 I C -0.161 175.718 176.117 -0.396 0.000 1.145 238 I CA 0.514 61.441 61.300 -0.623 0.000 1.462 238 I CB 0.433 37.578 38.000 -1.425 0.000 1.102 238 I HN 0.401 nan 8.210 nan 0.000 0.433 239 V N -2.090 117.491 119.914 -0.555 0.000 3.102 239 V HA 0.664 4.784 4.120 -0.000 0.000 0.312 239 V C -0.983 175.043 176.094 -0.113 0.000 1.135 239 V CA -0.688 61.369 62.300 -0.405 0.000 1.022 239 V CB 1.831 33.126 31.823 -0.880 0.000 1.056 239 V HN 0.167 nan 8.190 nan 0.000 0.436 240 D N -0.302 120.156 120.400 0.097 0.000 2.865 240 D HA 0.160 4.800 4.640 -0.000 0.000 0.343 240 D C -0.038 176.411 176.300 0.248 0.000 1.372 240 D CA -0.151 54.008 54.000 0.266 0.000 0.862 240 D CB 2.152 43.143 40.800 0.319 0.000 1.425 240 D HN 0.597 nan 8.370 nan 0.000 0.501 241 D N -0.074 120.462 120.400 0.227 0.000 2.133 241 D HA -0.195 4.445 4.640 -0.000 0.000 0.192 241 D C 1.602 177.951 176.300 0.082 0.000 1.001 241 D CA 1.813 55.896 54.000 0.138 0.000 0.844 241 D CB 0.180 41.019 40.800 0.066 0.000 0.944 241 D HN 0.270 nan 8.370 nan 0.000 0.447 242 Q N -0.222 119.602 119.800 0.039 0.000 2.172 242 Q HA 0.018 4.358 4.340 -0.000 0.000 0.200 242 Q C 0.415 176.279 176.000 -0.228 0.000 0.964 242 Q CA 0.417 56.200 55.803 -0.032 0.000 0.855 242 Q CB 0.352 29.100 28.738 0.017 0.000 0.918 242 Q HN 0.239 nan 8.270 nan 0.000 0.444 243 S N -1.790 113.760 115.700 -0.250 0.000 2.543 243 S HA 0.448 4.918 4.470 -0.000 0.000 0.274 243 S C -1.500 173.031 174.600 -0.116 0.000 1.149 243 S CA -0.943 57.001 58.200 -0.426 0.000 0.866 243 S CB 0.369 62.819 63.200 -1.250 0.000 1.111 243 S HN 0.096 nan 8.310 nan 0.000 0.457 244 F N 4.049 123.889 119.950 -0.183 0.000 2.371 244 F HA 0.515 5.042 4.527 -0.000 0.000 0.343 244 F C -1.938 173.847 175.800 -0.025 0.000 1.150 244 F CA -2.127 55.812 58.000 -0.102 0.000 1.220 244 F CB 1.739 40.648 39.000 -0.152 0.000 1.475 244 F HN 0.465 nan 8.300 nan 0.000 0.521 245 P HA -0.160 nan 4.420 nan 0.000 0.233 245 P C -0.035 177.423 177.300 0.263 0.000 1.167 245 P CA 0.728 63.918 63.100 0.151 0.000 0.770 245 P CB -0.335 31.486 31.700 0.201 0.000 0.837 246 Y N 2.338 122.710 120.300 0.119 0.000 2.531 246 Y HA 0.180 4.730 4.550 -0.000 0.000 0.347 246 Y C 0.663 176.768 175.900 0.341 0.000 1.024 246 Y CA -0.733 57.491 58.100 0.206 0.000 1.306 246 Y CB 0.009 38.512 38.460 0.071 0.000 1.149 246 Y HN -0.114 nan 8.280 nan 0.000 0.527 247 Q N 5.230 124.864 119.800 -0.277 0.000 2.307 247 Q HA 0.225 4.565 4.340 -0.000 0.000 0.259 247 Q C -0.632 174.981 176.000 -0.645 0.000 0.998 247 Q CA -0.268 55.358 55.803 -0.295 0.000 0.923 247 Q CB 0.534 29.186 28.738 -0.144 0.000 1.196 247 Q HN 0.739 nan 8.270 nan 0.000 0.416 248 S N 3.999 119.524 115.700 -0.291 0.000 2.489 248 S HA 0.330 4.800 4.470 -0.000 0.000 0.291 248 S C 0.827 175.386 174.600 -0.068 0.000 1.151 248 S CA -0.656 57.454 58.200 -0.149 0.000 1.082 248 S CB 0.752 64.136 63.200 0.308 0.000 1.019 248 S HN 0.780 nan 8.310 nan 0.000 0.492 249 I N 3.286 123.800 120.570 -0.093 0.000 2.333 249 I HA -0.067 4.103 4.170 -0.000 0.000 0.246 249 I C 2.568 178.596 176.117 -0.147 0.000 1.106 249 I CA 1.213 62.453 61.300 -0.101 0.000 1.411 249 I CB -0.537 37.406 38.000 -0.095 0.000 1.082 249 I HN 0.836 nan 8.210 nan 0.000 0.420 250 T N -1.356 113.051 114.554 -0.245 0.000 3.035 250 T HA -0.043 4.306 4.350 -0.000 0.000 0.268 250 T C 0.447 174.690 174.700 -0.762 0.000 1.109 250 T CA 0.739 62.527 62.100 -0.521 0.000 1.119 250 T CB -0.352 68.108 68.868 -0.681 0.000 0.900 250 T HN 0.067 nan 8.240 nan 0.000 0.503 251 F N 1.399 121.375 119.950 0.044 0.000 2.531 251 F HA 0.431 4.958 4.527 -0.000 0.000 0.333 251 F C -2.210 173.591 175.800 0.003 0.000 1.292 251 F CA -3.064 54.975 58.000 0.065 0.000 1.184 251 F CB 1.722 40.818 39.000 0.161 0.000 1.426 251 F HN -0.067 nan 8.300 nan 0.000 0.559 252 P HA -0.133 nan 4.420 nan 0.000 0.220 252 P C 1.430 178.745 177.300 0.024 0.000 1.148 252 P CA 1.257 64.381 63.100 0.040 0.000 0.803 252 P CB 0.463 32.169 31.700 0.011 0.000 0.782 253 E N -0.428 119.796 120.200 0.040 0.000 2.150 253 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 253 E C 2.100 178.629 176.600 -0.117 0.000 0.985 253 E CA 0.584 56.968 56.400 -0.027 0.000 0.814 253 E CB -0.991 28.696 29.700 -0.022 0.000 0.752 253 E HN 0.290 nan 8.360 nan 0.000 0.466 254 L N 1.079 122.192 121.223 -0.183 0.000 1.997 254 L HA -0.292 4.048 4.340 -0.000 0.000 0.216 254 L C 2.606 179.216 176.870 -0.433 0.000 1.074 254 L CA 2.092 56.609 54.840 -0.538 0.000 0.763 254 L CB -0.677 40.872 42.059 -0.850 0.000 0.890 254 L HN 0.197 nan 8.230 nan 0.000 0.434 255 S N -1.160 114.453 115.700 -0.145 0.000 2.425 255 S HA -0.075 4.394 4.470 -0.000 0.000 0.225 255 S C 1.781 176.378 174.600 -0.005 0.000 1.024 255 S CA 0.673 58.897 58.200 0.040 0.000 0.951 255 S CB -0.371 62.915 63.200 0.144 0.000 0.796 255 S HN 0.340 nan 8.310 nan 0.000 0.498 256 N N 2.128 120.810 118.700 -0.030 0.000 2.094 256 N HA -0.038 4.702 4.740 -0.000 0.000 0.191 256 N C 1.400 176.891 175.510 -0.031 0.000 1.023 256 N CA 1.474 54.510 53.050 -0.024 0.000 0.857 256 N CB -0.298 38.175 38.487 -0.024 0.000 1.013 256 N HN 0.455 nan 8.380 nan 0.000 0.426 257 K N -1.360 119.005 120.400 -0.058 0.000 2.354 257 K HA 0.285 4.605 4.320 -0.000 0.000 0.194 257 K C 1.526 178.090 176.600 -0.061 0.000 1.038 257 K CA 0.266 56.517 56.287 -0.060 0.000 1.052 257 K CB 0.511 32.962 32.500 -0.082 0.000 0.861 257 K HN 0.174 nan 8.250 nan 0.000 0.535 258 G N -0.194 108.567 108.800 -0.065 0.000 2.848 258 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.213 258 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.213 258 G C 0.308 175.203 174.900 -0.008 0.000 1.101 258 G CA 0.027 45.107 45.100 -0.034 0.000 0.778 258 G HN 0.275 nan 8.290 nan 0.000 0.536 259 S N -0.667 115.040 115.700 0.013 0.000 2.589 259 S HA 0.198 4.667 4.470 -0.000 0.000 0.265 259 S C 1.085 175.662 174.600 -0.038 0.000 1.342 259 S CA -0.340 57.852 58.200 -0.014 0.000 1.005 259 S CB 0.692 63.909 63.200 0.028 0.000 0.909 259 S HN 0.164 nan 8.310 nan 0.000 0.555 260 Y N 1.574 121.847 120.300 -0.046 0.000 2.274 260 Y HA 0.080 4.629 4.550 -0.001 0.000 0.290 260 Y C 1.680 177.522 175.900 -0.097 0.000 1.145 260 Y CA 1.111 59.126 58.100 -0.142 0.000 1.203 260 Y CB -0.496 37.736 38.460 -0.379 0.000 0.984 260 Y HN 1.000 nan 8.280 nan 0.000 0.533 261 S N -3.088 112.706 115.700 0.157 0.000 2.627 261 S HA 0.189 4.658 4.470 -0.000 0.000 0.268 261 S C -0.117 174.539 174.600 0.093 0.000 1.130 261 S CA -0.811 57.475 58.200 0.143 0.000 0.819 261 S CB 0.204 63.533 63.200 0.215 0.000 1.100 261 S HN -0.153 nan 8.310 nan 0.000 0.465 262 L N 2.017 123.261 121.223 0.035 0.000 2.191 262 L HA 0.072 4.412 4.340 -0.000 0.000 0.212 262 L C 2.371 179.198 176.870 -0.072 0.000 1.103 262 L CA 2.410 57.242 54.840 -0.014 0.000 0.769 262 L CB -1.369 40.682 42.059 -0.014 0.000 0.908 262 L HN 0.988 nan 8.230 nan 0.000 0.438 263 S N -2.802 112.829 115.700 -0.116 0.000 2.622 263 S HA 0.108 4.577 4.470 -0.000 0.000 0.236 263 S C 0.231 174.398 174.600 -0.723 0.000 0.956 263 S CA -0.368 57.652 58.200 -0.301 0.000 0.971 263 S CB -0.679 62.359 63.200 -0.269 0.000 0.782 263 S HN 0.475 nan 8.310 nan 0.000 0.468 264 H N 0.371 119.129 119.070 -0.519 0.000 2.355 264 H HA 0.651 5.207 4.556 -0.000 0.000 0.232 264 H C -0.913 173.915 175.328 -0.835 0.000 1.422 264 H CA -0.316 55.020 56.048 -1.185 0.000 1.261 264 H CB 0.623 30.000 29.762 -0.641 0.000 1.595 264 H HN 0.180 nan 8.280 nan 0.000 0.529 265 V N 1.208 120.802 119.914 -0.533 0.000 2.925 265 V HA 0.258 4.378 4.120 -0.000 0.000 0.311 265 V C -1.087 174.992 176.094 -0.026 0.000 1.104 265 V CA -0.988 61.221 62.300 -0.152 0.000 0.954 265 V CB 2.074 33.859 31.823 -0.063 0.000 1.022 265 V HN 0.353 nan 8.190 nan 0.000 0.427 266 Y N 2.030 122.528 120.300 0.330 0.000 2.417 266 Y HA 0.481 5.031 4.550 -0.000 0.000 0.336 266 Y C 1.068 177.052 175.900 0.140 0.000 0.961 266 Y CA -0.906 57.372 58.100 0.297 0.000 1.215 266 Y CB 1.227 39.913 38.460 0.377 0.000 1.120 266 Y HN 0.765 nan 8.280 nan 0.000 0.499 267 T N 0.344 115.041 114.554 0.238 0.000 2.788 267 T HA 0.173 4.523 4.350 -0.000 0.000 0.287 267 T C -1.862 172.894 174.700 0.094 0.000 1.007 267 T CA -1.814 60.347 62.100 0.103 0.000 1.005 267 T CB 1.246 70.161 68.868 0.078 0.000 1.012 267 T HN 0.243 nan 8.240 nan 0.000 0.530 268 P HA -0.041 nan 4.420 nan 0.000 0.219 268 P C 1.261 178.583 177.300 0.037 0.000 1.146 268 P CA 0.879 63.984 63.100 0.009 0.000 0.808 268 P CB -0.034 31.651 31.700 -0.024 0.000 0.779 269 N N -1.089 117.642 118.700 0.052 0.000 2.300 269 N HA -0.111 4.629 4.740 -0.000 0.000 0.179 269 N C 1.313 176.881 175.510 0.097 0.000 1.016 269 N CA 0.963 54.051 53.050 0.063 0.000 0.876 269 N CB -0.344 38.174 38.487 0.052 0.000 0.979 269 N HN -0.087 nan 8.380 nan 0.000 0.432 270 D N -0.229 120.258 120.400 0.145 0.000 2.104 270 D HA -0.132 4.508 4.640 -0.000 0.000 0.194 270 D C 1.962 178.378 176.300 0.193 0.000 0.994 270 D CA 0.967 55.087 54.000 0.200 0.000 0.830 270 D CB -0.517 40.495 40.800 0.352 0.000 0.959 270 D HN 0.084 nan 8.370 nan 0.000 0.452 271 V N 1.023 121.059 119.914 0.202 0.000 2.392 271 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 271 V C 2.550 178.689 176.094 0.076 0.000 1.059 271 V CA 1.505 63.904 62.300 0.165 0.000 1.051 271 V CB -0.413 31.440 31.823 0.051 0.000 0.658 271 V HN 0.132 nan 8.190 nan 0.000 0.455 272 R N -0.963 119.570 120.500 0.055 0.000 2.081 272 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 272 R C 2.369 178.729 176.300 0.100 0.000 1.131 272 R CA 1.973 58.106 56.100 0.055 0.000 0.960 272 R CB -0.309 30.021 30.300 0.050 0.000 0.856 272 R HN 0.446 nan 8.270 nan 0.000 0.436 273 M N 0.012 119.673 119.600 0.100 0.000 2.086 273 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 273 M C 2.076 178.453 176.300 0.128 0.000 1.067 273 M CA 1.541 56.905 55.300 0.106 0.000 1.116 273 M CB 0.078 32.720 32.600 0.070 0.000 1.348 273 M HN -0.006 nan 8.290 nan 0.000 0.407 274 V N 0.520 120.490 119.914 0.093 0.000 2.287 274 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 274 V C 2.181 178.369 176.094 0.157 0.000 1.053 274 V CA 2.057 64.391 62.300 0.056 0.000 1.027 274 V CB -0.651 31.146 31.823 -0.044 0.000 0.646 274 V HN 0.487 nan 8.190 nan 0.000 0.447 275 I N -0.425 120.253 120.570 0.180 0.000 2.163 275 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 275 I C 2.743 179.039 176.117 0.299 0.000 1.085 275 I CA 1.585 63.022 61.300 0.228 0.000 1.347 275 I CB -0.376 37.717 38.000 0.155 0.000 1.044 275 I HN 0.300 nan 8.210 nan 0.000 0.408 276 E N 0.333 120.691 120.200 0.263 0.000 2.031 276 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 276 E C 2.111 178.825 176.600 0.189 0.000 0.994 276 E CA 1.560 58.093 56.400 0.223 0.000 0.800 276 E CB -0.572 29.228 29.700 0.167 0.000 0.752 276 E HN 0.474 nan 8.360 nan 0.000 0.447 277 Y N 0.733 121.080 120.300 0.078 0.000 2.139 277 Y HA -0.330 4.220 4.550 -0.001 0.000 0.282 277 Y C 2.180 178.117 175.900 0.061 0.000 1.179 277 Y CA 2.368 60.497 58.100 0.050 0.000 1.161 277 Y CB -0.366 38.105 38.460 0.019 0.000 0.970 277 Y HN 0.115 nan 8.280 nan 0.000 0.511 278 A N -0.142 122.813 122.820 0.225 0.000 1.897 278 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 278 A C 2.320 179.991 177.584 0.146 0.000 1.181 278 A CA 1.409 53.544 52.037 0.162 0.000 0.620 278 A CB -0.746 18.354 19.000 0.165 0.000 0.821 278 A HN 0.492 nan 8.150 nan 0.000 0.443 279 R N -0.269 120.350 120.500 0.198 0.000 2.103 279 R HA -0.105 4.234 4.340 -0.000 0.000 0.242 279 R C 1.817 178.217 176.300 0.168 0.000 1.142 279 R CA 1.621 57.845 56.100 0.205 0.000 0.960 279 R CB -0.444 29.943 30.300 0.146 0.000 0.858 279 R HN 0.520 nan 8.270 nan 0.000 0.439 280 L N 0.005 121.261 121.223 0.055 0.000 2.353 280 L HA -0.127 4.213 4.340 -0.000 0.000 0.220 280 L C 1.656 178.539 176.870 0.021 0.000 1.133 280 L CA 1.176 56.010 54.840 -0.010 0.000 0.798 280 L CB -0.051 41.938 42.059 -0.117 0.000 0.922 280 L HN 0.195 nan 8.230 nan 0.000 0.445 281 R N -0.957 119.578 120.500 0.059 0.000 2.509 281 R HA 0.194 4.534 4.340 -0.000 0.000 0.300 281 R C 1.043 177.466 176.300 0.205 0.000 0.985 281 R CA 0.464 56.623 56.100 0.099 0.000 1.092 281 R CB 0.742 31.050 30.300 0.013 0.000 1.237 281 R HN 0.227 nan 8.270 nan 0.000 0.546 282 G N 1.716 110.713 108.800 0.328 0.000 2.249 282 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.273 282 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.273 282 G C 0.047 175.009 174.900 0.103 0.000 1.036 282 G CA 0.182 45.479 45.100 0.328 0.000 0.824 282 G HN 0.276 nan 8.290 nan 0.000 0.504 283 I N -0.107 120.528 120.570 0.107 0.000 2.377 283 I HA 0.416 4.586 4.170 -0.000 0.000 0.293 283 I C 0.865 177.032 176.117 0.083 0.000 0.987 283 I CA -0.907 60.441 61.300 0.080 0.000 1.185 283 I CB 1.285 39.341 38.000 0.095 0.000 1.341 283 I HN 0.016 nan 8.210 nan 0.000 0.455 284 R N 4.585 125.111 120.500 0.044 0.000 2.349 284 R HA 0.533 4.873 4.340 -0.000 0.000 0.299 284 R C -1.031 175.327 176.300 0.097 0.000 1.027 284 R CA -0.646 55.494 56.100 0.067 0.000 0.958 284 R CB 1.580 31.887 30.300 0.011 0.000 1.047 284 R HN 0.349 nan 8.270 nan 0.000 0.468 285 V N 5.021 125.027 119.914 0.154 0.000 2.311 285 V HA 0.190 4.310 4.120 -0.000 0.000 0.275 285 V C -0.584 175.628 176.094 0.196 0.000 1.022 285 V CA -0.736 61.692 62.300 0.214 0.000 0.830 285 V CB 1.101 33.128 31.823 0.341 0.000 1.012 285 V HN 0.479 nan 8.190 nan 0.000 0.452 286 L N 9.426 130.718 121.223 0.115 0.000 2.255 286 L HA 0.644 4.983 4.340 -0.000 0.000 0.289 286 L C -2.321 174.510 176.870 -0.064 0.000 1.046 286 L CA -1.584 53.267 54.840 0.018 0.000 0.816 286 L CB 1.297 43.342 42.059 -0.024 0.000 1.197 286 L HN 0.356 nan 8.230 nan 0.000 0.427 287 P HA 0.187 nan 4.420 nan 0.000 0.284 287 P C -1.260 175.869 177.300 -0.285 0.000 1.253 287 P CA -0.328 62.444 63.100 -0.547 0.000 0.800 287 P CB 1.110 32.051 31.700 -1.264 0.000 0.961 288 E N 2.562 122.567 120.200 -0.324 0.000 2.133 288 E HA 0.330 4.680 4.350 -0.000 0.000 0.274 288 E C -1.358 174.978 176.600 -0.440 0.000 0.930 288 E CA -0.630 55.661 56.400 -0.181 0.000 0.770 288 E CB 0.414 30.100 29.700 -0.023 0.000 1.104 288 E HN 0.258 nan 8.360 nan 0.000 0.403 289 F N 3.633 123.643 119.950 0.100 0.000 2.319 289 F HA 0.166 4.693 4.527 -0.000 0.000 0.356 289 F C 0.144 176.211 175.800 0.446 0.000 1.100 289 F CA -0.825 57.343 58.000 0.279 0.000 1.220 289 F CB 0.696 39.964 39.000 0.447 0.000 1.506 289 F HN 0.402 nan 8.300 nan 0.000 0.512 290 D N 2.383 123.001 120.400 0.363 0.000 2.417 290 D HA 0.246 4.886 4.640 -0.000 0.000 0.250 290 D C 0.041 176.519 176.300 0.298 0.000 1.166 290 D CA 0.558 54.774 54.000 0.361 0.000 0.881 290 D CB 0.802 41.776 40.800 0.290 0.000 1.164 290 D HN 0.483 nan 8.370 nan 0.000 0.467 291 T N 0.780 115.511 114.554 0.295 0.000 2.868 291 T HA 0.522 4.872 4.350 -0.000 0.000 0.306 291 T C -2.415 172.477 174.700 0.319 0.000 1.224 291 T CA -1.245 60.958 62.100 0.172 0.000 1.012 291 T CB 2.301 71.292 68.868 0.205 0.000 1.221 291 T HN 0.105 nan 8.240 nan 0.000 0.499 292 P HA 0.219 nan 4.420 nan 0.000 0.239 292 P C 0.957 178.151 177.300 -0.177 0.000 1.188 292 P CA 0.314 63.317 63.100 -0.162 0.000 0.794 292 P CB -0.160 31.277 31.700 -0.438 0.000 0.937 293 G N -0.513 108.235 108.800 -0.086 0.000 2.599 293 G HA2 0.129 4.088 3.960 -0.000 0.000 0.264 293 G HA3 0.129 4.088 3.960 -0.000 0.000 0.264 293 G C -0.051 174.848 174.900 -0.001 0.000 1.200 293 G CA -0.102 44.908 45.100 -0.149 0.000 0.896 293 G HN 0.284 nan 8.290 nan 0.000 0.536 294 H N -1.582 117.430 119.070 -0.097 0.000 2.992 294 H HA -0.195 4.361 4.556 -0.000 0.000 0.266 294 H C 1.388 176.747 175.328 0.052 0.000 1.200 294 H CA 1.483 57.524 56.048 -0.013 0.000 1.135 294 H CB -1.835 27.953 29.762 0.043 0.000 1.282 294 H HN 0.738 nan 8.280 nan 0.000 0.351 295 T N -2.837 111.722 114.554 0.008 0.000 3.182 295 T HA 0.213 4.563 4.350 -0.000 0.000 0.277 295 T C 1.740 176.491 174.700 0.084 0.000 1.013 295 T CA -0.324 61.722 62.100 -0.090 0.000 0.900 295 T CB 0.220 68.720 68.868 -0.613 0.000 1.098 295 T HN 0.095 nan 8.240 nan 0.000 0.543 296 L N 2.621 123.894 121.223 0.082 0.000 2.081 296 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 296 L C 2.583 179.514 176.870 0.102 0.000 1.080 296 L CA 2.480 57.353 54.840 0.056 0.000 0.754 296 L CB -1.042 41.039 42.059 0.037 0.000 0.893 296 L HN 0.634 nan 8.230 nan 0.000 0.433 297 S N -2.456 113.378 115.700 0.224 0.000 2.461 297 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 297 S C 1.549 176.253 174.600 0.173 0.000 1.005 297 S CA 0.265 58.574 58.200 0.180 0.000 0.942 297 S CB -0.692 62.625 63.200 0.194 0.000 0.776 297 S HN 0.463 nan 8.310 nan 0.000 0.514 298 W N 2.559 123.849 121.300 -0.018 0.000 2.421 298 W HA 0.245 4.905 4.660 -0.001 0.000 0.270 298 W C 2.459 178.767 176.519 -0.351 0.000 1.233 298 W CA 0.250 57.465 57.345 -0.215 0.000 1.226 298 W CB -1.071 28.307 29.460 -0.137 0.000 1.121 298 W HN 0.471 nan 8.180 nan 0.000 0.579 299 G N 0.113 108.866 108.800 -0.078 0.000 2.511 299 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 299 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 299 G C 1.637 176.370 174.900 -0.279 0.000 1.133 299 G CA 0.432 45.371 45.100 -0.268 0.000 0.792 299 G HN 0.047 nan 8.290 nan 0.000 0.539 300 K N 0.901 121.180 120.400 -0.201 0.000 2.097 300 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 300 K C 2.218 178.713 176.600 -0.175 0.000 1.050 300 K CA 1.149 57.335 56.287 -0.169 0.000 0.938 300 K CB -0.677 31.757 32.500 -0.110 0.000 0.718 300 K HN 0.245 nan 8.250 nan 0.000 0.442 301 G N 0.658 109.329 108.800 -0.216 0.000 3.337 301 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.246 301 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.246 301 G C -0.091 174.665 174.900 -0.239 0.000 1.131 301 G CA -0.068 44.912 45.100 -0.200 0.000 0.773 301 G HN 0.147 nan 8.290 nan 0.000 0.544 302 Q N 1.286 120.901 119.800 -0.308 0.000 2.533 302 Q HA 0.286 4.626 4.340 -0.000 0.000 0.251 302 Q C -0.516 175.278 176.000 -0.344 0.000 0.966 302 Q CA -0.649 54.912 55.803 -0.403 0.000 0.714 302 Q CB 0.677 28.983 28.738 -0.721 0.000 1.284 302 Q HN -0.072 nan 8.270 nan 0.000 0.478 303 K N 2.978 123.232 120.400 -0.243 0.000 2.484 303 K HA 0.007 4.326 4.320 -0.000 0.000 0.280 303 K C -0.226 176.253 176.600 -0.202 0.000 1.013 303 K CA 0.560 56.735 56.287 -0.187 0.000 1.029 303 K CB 0.343 32.777 32.500 -0.110 0.000 0.902 303 K HN 0.772 nan 8.250 nan 0.000 0.481 304 D N 0.340 120.632 120.400 -0.181 0.000 2.946 304 D HA -0.225 4.415 4.640 -0.000 0.000 0.202 304 D C 1.038 177.233 176.300 -0.175 0.000 1.068 304 D CA 1.014 54.934 54.000 -0.134 0.000 1.011 304 D CB -0.825 39.924 40.800 -0.084 0.000 1.105 304 D HN 0.501 nan 8.370 nan 0.000 0.425 305 L N 0.488 121.544 121.223 -0.278 0.000 2.093 305 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 305 L C 0.881 177.619 176.870 -0.220 0.000 1.085 305 L CA 1.485 56.139 54.840 -0.311 0.000 0.755 305 L CB 0.036 41.801 42.059 -0.490 0.000 0.904 305 L HN 0.096 nan 8.230 nan 0.000 0.435 306 L N -0.032 121.061 121.223 -0.216 0.000 2.334 306 L HA 0.280 4.620 4.340 -0.000 0.000 0.277 306 L C 0.298 177.205 176.870 0.060 0.000 1.075 306 L CA -0.719 54.051 54.840 -0.117 0.000 0.804 306 L CB 1.111 43.047 42.059 -0.205 0.000 1.174 306 L HN -0.089 nan 8.230 nan 0.000 0.438 307 T N 2.956 117.598 114.554 0.147 0.000 2.888 307 T HA 0.181 4.531 4.350 -0.000 0.000 0.301 307 T C -2.378 172.498 174.700 0.294 0.000 1.001 307 T CA -0.755 61.485 62.100 0.232 0.000 1.147 307 T CB 0.482 69.543 68.868 0.320 0.000 0.931 307 T HN 0.303 nan 8.240 nan 0.000 0.541 308 P HA 0.383 nan 4.420 nan 0.000 0.285 308 P C -0.724 176.562 177.300 -0.024 0.000 1.259 308 P CA -0.661 62.461 63.100 0.037 0.000 0.794 308 P CB 0.444 32.145 31.700 0.002 0.000 0.940 309 c N 3.102 121.584 118.600 -0.196 0.000 2.365 309 c HA 0.388 4.958 4.570 -0.000 0.000 0.351 309 c C -0.239 173.747 174.090 -0.174 0.000 1.240 309 c CA -0.288 55.997 56.329 -0.074 0.000 2.062 309 c CB -0.657 41.790 42.510 -0.104 0.000 2.387 309 c HN 0.502 nan 8.230 nan 0.000 0.537 310 Y N 1.696 121.956 120.300 -0.067 0.000 2.491 310 Y HA 0.421 4.971 4.550 -0.001 0.000 0.334 310 Y C 0.828 176.698 175.900 -0.051 0.000 0.969 310 Y CA 0.259 58.326 58.100 -0.054 0.000 1.241 310 Y CB 0.671 39.117 38.460 -0.024 0.000 1.105 310 Y HN 0.720 nan 8.280 nan 0.000 0.503 318 S N -0.354 115.186 115.700 -0.267 0.000 2.343 318 S HA 0.053 4.522 4.470 -0.000 0.000 0.219 318 S C 0.468 174.605 174.600 -0.773 0.000 1.033 318 S CA 1.006 58.849 58.200 -0.594 0.000 1.014 318 S CB -0.109 62.694 63.200 -0.661 0.000 0.915 318 S HN 0.384 nan 8.310 nan 0.000 0.435 319 F N -0.119 119.779 119.950 -0.086 0.000 2.546 319 F HA 0.695 5.221 4.527 -0.001 0.000 0.320 319 F C 0.788 176.521 175.800 -0.112 0.000 1.076 319 F CA -0.831 57.117 58.000 -0.087 0.000 0.928 319 F CB 1.448 40.400 39.000 -0.080 0.000 1.189 319 F HN 0.169 nan 8.300 nan 0.000 0.465 320 G N 0.781 109.627 108.800 0.077 0.000 3.039 320 G HA2 0.671 4.630 3.960 -0.000 0.000 0.159 320 G HA3 0.671 4.630 3.960 -0.000 0.000 0.159 320 G C -2.916 171.909 174.900 -0.125 0.000 1.284 320 G CA -1.582 43.461 45.100 -0.095 0.000 0.996 320 G HN 0.325 nan 8.290 nan 0.000 0.592 321 P HA 0.270 nan 4.420 nan 0.000 0.273 321 P C 0.032 177.288 177.300 -0.074 0.000 1.250 321 P CA -0.461 62.476 63.100 -0.271 0.000 0.793 321 P CB 0.546 31.919 31.700 -0.545 0.000 1.011 322 I N 0.961 121.442 120.570 -0.148 0.000 2.919 322 I HA -0.138 4.031 4.170 -0.000 0.000 0.303 322 I C 1.266 177.409 176.117 0.043 0.000 1.221 322 I CA 0.491 61.706 61.300 -0.141 0.000 1.444 322 I CB -0.268 37.570 38.000 -0.270 0.000 1.331 322 I HN 0.340 nan 8.210 nan 0.000 0.572 323 N N 9.374 128.081 118.700 0.013 0.000 2.399 323 N HA 0.132 4.872 4.740 -0.000 0.000 0.259 323 N C -1.904 173.546 175.510 -0.100 0.000 1.160 323 N CA -2.108 50.959 53.050 0.028 0.000 0.946 323 N CB 0.753 39.243 38.487 0.005 0.000 1.156 323 N HN 0.257 nan 8.380 nan 0.000 0.489 324 P HA 0.091 nan 4.420 nan 0.000 0.255 324 P C 0.438 177.751 177.300 0.022 0.000 1.301 324 P CA 0.396 63.515 63.100 0.032 0.000 0.817 324 P CB -0.050 31.680 31.700 0.049 0.000 1.259 325 T N -3.752 110.628 114.554 -0.289 0.000 3.010 325 T HA 0.251 4.600 4.350 -0.000 0.000 0.257 325 T C 0.523 175.064 174.700 -0.264 0.000 1.020 325 T CA -0.113 61.574 62.100 -0.689 0.000 0.938 325 T CB -0.356 67.898 68.868 -1.023 0.000 1.049 325 T HN -0.074 nan 8.240 nan 0.000 0.522 326 L N 1.659 122.835 121.223 -0.079 0.000 2.360 326 L HA 0.553 4.893 4.340 -0.000 0.000 0.271 326 L C 1.096 178.049 176.870 0.138 0.000 1.057 326 L CA -1.216 53.630 54.840 0.010 0.000 0.803 326 L CB 0.793 42.836 42.059 -0.026 0.000 1.207 326 L HN -0.108 nan 8.230 nan 0.000 0.445 327 N N 0.481 119.276 118.700 0.158 0.000 2.171 327 N HA -0.133 4.607 4.740 -0.000 0.000 0.184 327 N C 1.803 177.420 175.510 0.179 0.000 1.021 327 N CA 1.719 54.902 53.050 0.222 0.000 0.854 327 N CB -0.317 38.272 38.487 0.170 0.000 0.994 327 N HN 0.867 nan 8.380 nan 0.000 0.426 328 T N -1.490 113.128 114.554 0.106 0.000 2.721 328 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 328 T C 1.943 176.691 174.700 0.079 0.000 1.038 328 T CA 1.889 64.042 62.100 0.087 0.000 1.145 328 T CB -0.946 67.943 68.868 0.035 0.000 0.858 328 T HN 0.079 nan 8.240 nan 0.000 0.459 329 T N 1.077 115.625 114.554 -0.010 0.000 2.674 329 T HA -0.054 4.296 4.350 -0.000 0.000 0.265 329 T C 1.484 176.143 174.700 -0.069 0.000 1.039 329 T CA 1.664 63.686 62.100 -0.130 0.000 1.150 329 T CB -0.580 68.067 68.868 -0.368 0.000 0.864 329 T HN 0.595 nan 8.240 nan 0.000 0.427 330 Y N 0.893 121.311 120.300 0.197 0.000 2.561 330 Y HA 0.150 4.700 4.550 -0.001 0.000 0.291 330 Y C 2.812 178.825 175.900 0.190 0.000 1.141 330 Y CA -0.034 58.175 58.100 0.181 0.000 1.303 330 Y CB -0.508 38.020 38.460 0.113 0.000 1.015 330 Y HN 0.133 nan 8.280 nan 0.000 0.547 331 S N 0.013 115.890 115.700 0.295 0.000 2.335 331 S HA -0.199 4.271 4.470 -0.000 0.000 0.216 331 S C 1.951 176.733 174.600 0.303 0.000 1.032 331 S CA 1.231 59.588 58.200 0.262 0.000 1.000 331 S CB -0.653 62.683 63.200 0.226 0.000 0.928 331 S HN 0.487 nan 8.310 nan 0.000 0.434 332 F N 2.246 122.287 119.950 0.152 0.000 2.063 332 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 332 F C 1.899 177.828 175.800 0.215 0.000 1.109 332 F CA 1.713 59.791 58.000 0.130 0.000 1.212 332 F CB -0.555 38.384 39.000 -0.101 0.000 0.973 332 F HN 0.180 nan 8.300 nan 0.000 0.480 333 L N -0.459 120.899 121.223 0.225 0.000 2.127 333 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 333 L C 2.305 179.382 176.870 0.345 0.000 1.089 333 L CA 1.782 56.786 54.840 0.274 0.000 0.757 333 L CB -0.952 41.364 42.059 0.427 0.000 0.899 333 L HN 0.266 nan 8.230 nan 0.000 0.434 334 T N -1.551 113.165 114.554 0.270 0.000 2.732 334 T HA -0.152 4.198 4.350 -0.000 0.000 0.261 334 T C 1.872 176.678 174.700 0.177 0.000 1.040 334 T CA 1.789 64.023 62.100 0.223 0.000 1.145 334 T CB -0.302 68.673 68.868 0.178 0.000 0.866 334 T HN 0.329 nan 8.240 nan 0.000 0.427 335 T N 2.145 116.802 114.554 0.172 0.000 2.665 335 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 335 T C 1.563 176.333 174.700 0.117 0.000 1.035 335 T CA 1.387 63.569 62.100 0.137 0.000 1.151 335 T CB -0.613 68.386 68.868 0.218 0.000 0.862 335 T HN 0.304 nan 8.240 nan 0.000 0.438 336 F N 1.100 121.029 119.950 -0.035 0.000 2.051 336 F HA -0.032 4.495 4.527 -0.001 0.000 0.296 336 F C 1.805 177.441 175.800 -0.272 0.000 1.122 336 F CA 1.091 58.963 58.000 -0.213 0.000 1.201 336 F CB -0.584 37.999 39.000 -0.695 0.000 0.978 336 F HN 0.075 nan 8.300 nan 0.000 0.472 337 F N 0.758 120.695 119.950 -0.021 0.000 2.293 337 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 337 F C 2.321 178.025 175.800 -0.161 0.000 1.086 337 F CA 1.523 59.441 58.000 -0.136 0.000 1.375 337 F CB -0.783 38.232 39.000 0.025 0.000 1.045 337 F HN -0.023 nan 8.300 nan 0.000 0.516 338 K N 0.999 121.424 120.400 0.040 0.000 2.057 338 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 338 K C 2.030 178.581 176.600 -0.081 0.000 1.050 338 K CA 1.794 58.077 56.287 -0.007 0.000 0.935 338 K CB -0.411 32.092 32.500 0.005 0.000 0.715 338 K HN 0.327 nan 8.250 nan 0.000 0.439 339 E N 0.110 120.211 120.200 -0.165 0.000 2.031 339 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 339 E C 1.858 178.339 176.600 -0.198 0.000 0.994 339 E CA 1.441 57.726 56.400 -0.192 0.000 0.800 339 E CB -0.063 29.492 29.700 -0.241 0.000 0.752 339 E HN 0.254 nan 8.360 nan 0.000 0.447 340 I N 1.962 122.302 120.570 -0.383 0.000 2.113 340 I HA -0.327 3.843 4.170 -0.000 0.000 0.242 340 I C 2.828 178.954 176.117 0.015 0.000 1.064 340 I CA 1.920 63.071 61.300 -0.248 0.000 1.320 340 I CB -1.836 35.874 38.000 -0.483 0.000 1.028 340 I HN 0.278 nan 8.210 nan 0.000 0.406 341 S N 0.267 115.964 115.700 -0.005 0.000 2.420 341 S HA -0.214 4.256 4.470 -0.000 0.000 0.237 341 S C 1.708 176.312 174.600 0.006 0.000 1.023 341 S CA 1.546 59.758 58.200 0.020 0.000 0.991 341 S CB -0.516 62.689 63.200 0.007 0.000 0.792 341 S HN 0.602 nan 8.310 nan 0.000 0.488 342 E N 0.140 120.330 120.200 -0.016 0.000 2.250 342 E HA 0.140 4.490 4.350 -0.000 0.000 0.192 342 E C 1.936 178.508 176.600 -0.046 0.000 0.986 342 E CA 0.534 56.916 56.400 -0.030 0.000 0.849 342 E CB 0.046 29.723 29.700 -0.039 0.000 0.797 342 E HN 0.381 nan 8.360 nan 0.000 0.482 343 V N 0.432 120.322 119.914 -0.040 0.000 2.535 343 V HA -0.044 4.076 4.120 -0.000 0.000 0.246 343 V C 0.207 176.116 176.094 -0.309 0.000 1.045 343 V CA 1.007 63.215 62.300 -0.154 0.000 1.058 343 V CB -0.019 31.725 31.823 -0.132 0.000 0.689 343 V HN 0.088 nan 8.190 nan 0.000 0.461 344 F N 1.133 121.035 119.950 -0.080 0.000 2.388 344 F HA 0.406 4.933 4.527 -0.000 0.000 0.358 344 F C -1.114 174.583 175.800 -0.170 0.000 1.122 344 F CA -2.129 55.813 58.000 -0.098 0.000 1.056 344 F CB 1.386 40.359 39.000 -0.045 0.000 1.155 344 F HN -0.021 nan 8.300 nan 0.000 0.461 345 P HA -0.154 nan 4.420 nan 0.000 0.217 345 P C 0.158 177.326 177.300 -0.220 0.000 1.150 345 P CA 0.839 63.691 63.100 -0.413 0.000 0.832 345 P CB 0.064 30.982 31.700 -1.303 0.000 0.787 346 D N -0.729 119.602 120.400 -0.115 0.000 2.563 346 D HA -0.139 4.500 4.640 -0.000 0.000 0.229 346 D C 1.571 177.880 176.300 0.016 0.000 1.159 346 D CA 0.355 54.358 54.000 0.006 0.000 0.869 346 D CB 0.582 41.430 40.800 0.080 0.000 1.203 346 D HN -0.174 nan 8.370 nan 0.000 0.478 347 Q N 2.150 121.974 119.800 0.039 0.000 2.050 347 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 347 Q C -0.334 175.558 176.000 -0.180 0.000 0.980 347 Q CA 1.474 57.230 55.803 -0.078 0.000 0.840 347 Q CB -0.097 28.595 28.738 -0.076 0.000 0.898 347 Q HN 0.527 nan 8.270 nan 0.000 0.424 348 F N -0.221 119.708 119.950 -0.035 0.000 2.379 348 F HA 0.437 4.964 4.527 0.000 0.000 0.332 348 F C 0.148 175.908 175.800 -0.068 0.000 1.096 348 F CA -0.782 57.179 58.000 -0.064 0.000 1.105 348 F CB 0.898 39.847 39.000 -0.085 0.000 1.189 348 F HN -0.136 nan 8.300 nan 0.000 0.515 349 I N 2.562 123.178 120.570 0.076 0.000 2.433 349 I HA 0.206 4.375 4.170 -0.000 0.000 0.292 349 I C -0.533 175.618 176.117 0.056 0.000 1.001 349 I CA -0.769 60.565 61.300 0.056 0.000 1.119 349 I CB 1.385 39.416 38.000 0.051 0.000 1.289 349 I HN 0.473 nan 8.210 nan 0.000 0.438 350 H N 6.909 125.957 119.070 -0.036 0.000 2.562 350 H HA 0.341 4.896 4.556 -0.001 0.000 0.314 350 H C 0.044 175.396 175.328 0.040 0.000 1.079 350 H CA -0.024 55.967 56.048 -0.096 0.000 1.349 350 H CB 1.622 31.240 29.762 -0.240 0.000 1.432 350 H HN 0.591 nan 8.280 nan 0.000 0.479 351 L N 4.281 125.679 121.223 0.291 0.000 2.607 351 L HA 0.141 4.481 4.340 -0.000 0.000 0.228 351 L C 1.825 178.963 176.870 0.445 0.000 1.123 351 L CA 0.476 55.500 54.840 0.306 0.000 0.890 351 L CB 0.037 42.153 42.059 0.094 0.000 1.103 351 L HN 0.971 nan 8.230 nan 0.000 0.468 352 G N 1.141 110.327 108.800 0.643 0.000 2.677 352 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.321 352 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.321 352 G C 0.981 176.322 174.900 0.735 0.000 1.181 352 G CA 0.344 45.890 45.100 0.743 0.000 0.965 352 G HN 0.810 nan 8.290 nan 0.000 0.548 353 G N -0.146 108.985 108.800 0.550 0.000 2.157 353 G HA2 -0.052 3.907 3.960 -0.000 0.000 0.248 353 G HA3 -0.052 3.907 3.960 -0.000 0.000 0.248 353 G C 0.177 175.320 174.900 0.405 0.000 0.979 353 G CA 1.340 46.708 45.100 0.447 0.000 0.650 353 G HN 2.016 nan 8.290 nan 0.000 0.529 354 D N 0.407 121.027 120.400 0.366 0.000 2.264 354 D HA 0.400 5.039 4.640 -0.000 0.000 0.249 354 D C 0.598 176.958 176.300 0.101 0.000 1.070 354 D CA 0.096 54.196 54.000 0.166 0.000 0.912 354 D CB 0.580 41.160 40.800 -0.368 0.000 1.193 354 D HN 0.502 nan 8.370 nan 0.000 0.427 355 E N -0.874 119.377 120.200 0.085 0.000 2.389 355 E HA -0.142 4.208 4.350 -0.000 0.000 0.243 355 E C -0.639 175.847 176.600 -0.190 0.000 1.154 355 E CA 0.079 56.462 56.400 -0.028 0.000 0.723 355 E CB -1.303 28.375 29.700 -0.037 0.000 1.261 355 E HN 0.319 nan 8.360 nan 0.000 0.390 356 V N 1.459 121.235 119.914 -0.231 0.000 2.455 356 V HA 0.055 4.174 4.120 -0.000 0.000 0.273 356 V C 0.934 176.571 176.094 -0.762 0.000 1.045 356 V CA 0.089 62.128 62.300 -0.435 0.000 0.976 356 V CB 1.257 32.898 31.823 -0.305 0.000 0.993 356 V HN 0.135 nan 8.190 nan 0.000 0.475 357 E N 3.155 122.942 120.200 -0.687 0.000 2.290 357 E HA 0.190 4.540 4.350 -0.000 0.000 0.277 357 E C -0.011 176.161 176.600 -0.712 0.000 1.035 357 E CA -0.010 55.996 56.400 -0.657 0.000 0.873 357 E CB 0.996 30.433 29.700 -0.439 0.000 1.029 357 E HN 0.571 nan 8.360 nan 0.000 0.419 358 F N 1.974 121.735 119.950 -0.316 0.000 2.698 358 F HA 0.100 4.626 4.527 -0.001 0.000 0.295 358 F C 1.950 177.528 175.800 -0.369 0.000 1.124 358 F CA -0.028 57.770 58.000 -0.336 0.000 1.426 358 F CB -0.124 38.775 39.000 -0.169 0.000 1.120 358 F HN 0.283 nan 8.300 nan 0.000 0.583 359 K N -0.325 120.004 120.400 -0.119 0.000 2.160 359 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 359 K C 2.248 178.781 176.600 -0.112 0.000 1.047 359 K CA 1.603 57.828 56.287 -0.103 0.000 0.930 359 K CB -0.833 31.613 32.500 -0.091 0.000 0.720 359 K HN 0.387 nan 8.250 nan 0.000 0.450 360 c N 0.029 118.538 118.600 -0.153 0.000 2.587 360 c HA -0.050 4.519 4.570 -0.000 0.000 0.282 360 c C 2.347 176.458 174.090 0.036 0.000 1.277 360 c CA -0.017 56.259 56.329 -0.088 0.000 1.702 360 c CB -1.112 41.306 42.510 -0.152 0.000 2.113 360 c HN 0.581 nan 8.230 nan 0.000 0.490 361 W N 1.343 122.577 121.300 -0.111 0.000 2.292 361 W HA -0.174 4.486 4.660 -0.000 0.000 0.304 361 W C 2.503 178.915 176.519 -0.179 0.000 1.228 361 W CA 1.913 59.195 57.345 -0.104 0.000 1.241 361 W CB -1.311 28.088 29.460 -0.101 0.000 1.142 361 W HN 0.583 nan 8.180 nan 0.000 0.520 362 E N 0.063 120.137 120.200 -0.210 0.000 2.158 362 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 362 E C 2.166 178.786 176.600 0.033 0.000 0.982 362 E CA 1.518 57.806 56.400 -0.187 0.000 0.823 362 E CB -0.147 29.329 29.700 -0.372 0.000 0.766 362 E HN 0.149 nan 8.360 nan 0.000 0.468 363 S N 0.310 116.026 115.700 0.027 0.000 2.561 363 S HA -0.046 4.423 4.470 -0.000 0.000 0.225 363 S C 0.731 175.342 174.600 0.017 0.000 0.977 363 S CA -0.150 58.078 58.200 0.048 0.000 0.926 363 S CB -0.157 63.092 63.200 0.081 0.000 0.769 363 S HN 0.124 nan 8.310 nan 0.000 0.533 364 N N 2.035 120.766 118.700 0.052 0.000 2.426 364 N HA 0.301 5.040 4.740 -0.000 0.000 0.275 364 N C -2.284 173.185 175.510 -0.068 0.000 1.019 364 N CA -1.937 51.106 53.050 -0.011 0.000 0.941 364 N CB 2.133 40.729 38.487 0.181 0.000 1.123 364 N HN 0.002 nan 8.380 nan 0.000 0.486 365 P HA 0.065 nan 4.420 nan 0.000 0.221 365 P C 0.806 178.086 177.300 -0.034 0.000 1.155 365 P CA 1.022 64.043 63.100 -0.131 0.000 0.812 365 P CB 0.655 32.225 31.700 -0.216 0.000 0.801 366 K N -0.394 119.999 120.400 -0.012 0.000 2.148 366 K HA -0.024 4.296 4.320 -0.000 0.000 0.204 366 K C 2.065 178.700 176.600 0.058 0.000 1.050 366 K CA 0.963 57.267 56.287 0.029 0.000 0.942 366 K CB -0.621 31.901 32.500 0.037 0.000 0.724 366 K HN 0.082 nan 8.250 nan 0.000 0.446 367 I N 0.850 121.464 120.570 0.072 0.000 2.163 367 I HA -0.317 3.853 4.170 -0.000 0.000 0.240 367 I C 2.386 178.599 176.117 0.160 0.000 1.081 367 I CA 1.046 62.413 61.300 0.111 0.000 1.353 367 I CB -0.243 37.841 38.000 0.139 0.000 1.054 367 I HN 0.187 nan 8.210 nan 0.000 0.407 368 Q N 0.575 120.462 119.800 0.145 0.000 2.142 368 Q HA -0.303 4.037 4.340 -0.000 0.000 0.213 368 Q C 1.877 177.903 176.000 0.044 0.000 1.004 368 Q CA 2.057 57.925 55.803 0.107 0.000 0.883 368 Q CB -0.591 28.183 28.738 0.060 0.000 0.939 368 Q HN 0.545 nan 8.270 nan 0.000 0.413 369 D N -0.651 119.775 120.400 0.042 0.000 2.097 369 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 369 D C 1.742 178.046 176.300 0.007 0.000 0.984 369 D CA 0.536 54.545 54.000 0.015 0.000 0.826 369 D CB -0.399 40.416 40.800 0.025 0.000 0.973 369 D HN 0.139 nan 8.370 nan 0.000 0.460 370 F N 1.380 121.261 119.950 -0.115 0.000 2.095 370 F HA -0.238 4.288 4.527 -0.001 0.000 0.298 370 F C 2.353 177.989 175.800 -0.273 0.000 1.104 370 F CA 1.252 59.139 58.000 -0.188 0.000 1.232 370 F CB -0.195 38.703 39.000 -0.171 0.000 0.987 370 F HN -0.149 nan 8.300 nan 0.000 0.475 371 M N -0.264 119.283 119.600 -0.088 0.000 2.108 371 M HA -0.284 4.196 4.480 -0.000 0.000 0.257 371 M C 2.348 178.470 176.300 -0.296 0.000 1.071 371 M CA 1.690 56.868 55.300 -0.205 0.000 1.093 371 M CB -1.401 31.096 32.600 -0.171 0.000 1.345 371 M HN 0.185 nan 8.290 nan 0.000 0.403 372 R N 0.105 120.473 120.500 -0.219 0.000 2.073 372 R HA -0.155 4.184 4.340 -0.000 0.000 0.234 372 R C 2.162 178.291 176.300 -0.286 0.000 1.134 372 R CA 1.496 57.475 56.100 -0.201 0.000 0.952 372 R CB -0.109 30.115 30.300 -0.127 0.000 0.850 372 R HN 0.560 nan 8.270 nan 0.000 0.433 373 Q N -0.336 119.246 119.800 -0.363 0.000 2.297 373 Q HA -0.065 4.275 4.340 -0.000 0.000 0.204 373 Q C 1.268 176.913 176.000 -0.591 0.000 0.962 373 Q CA 0.822 56.374 55.803 -0.417 0.000 0.879 373 Q CB 0.281 28.762 28.738 -0.429 0.000 0.947 373 Q HN 0.097 nan 8.270 nan 0.000 0.462 374 K N -0.342 119.539 120.400 -0.865 0.000 2.358 374 K HA 0.113 4.433 4.320 -0.000 0.000 0.197 374 K C 0.588 176.684 176.600 -0.839 0.000 1.025 374 K CA 0.528 56.128 56.287 -1.145 0.000 1.104 374 K CB 0.993 32.135 32.500 -2.265 0.000 0.855 374 K HN 0.279 nan 8.250 nan 0.000 0.531 375 G N 2.295 110.785 108.800 -0.517 0.000 2.395 375 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.300 375 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.300 375 G C 0.232 175.064 174.900 -0.112 0.000 0.998 375 G CA -0.018 44.923 45.100 -0.264 0.000 1.046 375 G HN 0.221 nan 8.290 nan 0.000 0.513 376 F N 0.681 120.483 119.950 -0.247 0.000 2.797 376 F HA 0.345 4.872 4.527 0.000 0.000 0.302 376 F C 2.145 177.787 175.800 -0.264 0.000 1.130 376 F CA 0.298 58.146 58.000 -0.254 0.000 1.387 376 F CB -0.444 38.368 39.000 -0.314 0.000 1.107 376 F HN 0.800 nan 8.300 nan 0.000 0.577 377 G N 0.974 109.739 108.800 -0.058 0.000 2.591 377 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.298 377 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.298 377 G C 0.578 175.366 174.900 -0.186 0.000 1.195 377 G CA 0.631 45.670 45.100 -0.101 0.000 0.989 377 G HN 0.504 nan 8.290 nan 0.000 0.551 378 T N -2.396 112.051 114.554 -0.178 0.000 3.533 378 T HA 0.491 4.841 4.350 -0.000 0.000 0.275 378 T C -0.531 174.042 174.700 -0.213 0.000 1.000 378 T CA 0.791 62.739 62.100 -0.253 0.000 1.015 378 T CB 0.856 69.720 68.868 -0.007 0.000 1.153 378 T HN 0.683 nan 8.240 nan 0.000 0.504 379 D N 0.558 120.789 120.400 -0.281 0.000 2.396 379 D HA 0.358 4.998 4.640 -0.000 0.000 0.225 379 D C 0.056 176.115 176.300 -0.402 0.000 1.121 379 D CA -1.260 52.604 54.000 -0.226 0.000 0.853 379 D CB 0.294 40.996 40.800 -0.163 0.000 1.043 379 D HN 0.212 nan 8.370 nan 0.000 0.500 380 F N 2.348 122.046 119.950 -0.421 0.000 2.743 380 F HA 0.155 4.682 4.527 -0.001 0.000 0.297 380 F C 2.093 177.490 175.800 -0.672 0.000 1.131 380 F CA 0.181 57.804 58.000 -0.629 0.000 1.426 380 F CB 0.203 38.680 39.000 -0.871 0.000 1.116 380 F HN 0.304 nan 8.300 nan 0.000 0.583 381 K N 0.659 120.842 120.400 -0.361 0.000 2.032 381 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 381 K C 1.921 178.482 176.600 -0.065 0.000 1.048 381 K CA 1.457 57.742 56.287 -0.003 0.000 0.927 381 K CB -0.197 32.337 32.500 0.058 0.000 0.712 381 K HN 0.144 nan 8.250 nan 0.000 0.441 382 K N 0.551 120.792 120.400 -0.265 0.000 2.127 382 K HA -0.204 4.115 4.320 -0.000 0.000 0.208 382 K C 2.101 178.355 176.600 -0.577 0.000 1.047 382 K CA 1.359 57.321 56.287 -0.541 0.000 0.927 382 K CB -0.183 31.794 32.500 -0.872 0.000 0.716 382 K HN 0.075 nan 8.250 nan 0.000 0.450 383 L N 1.090 122.116 121.223 -0.329 0.000 2.127 383 L HA -0.073 4.267 4.340 -0.000 0.000 0.203 383 L C 2.221 179.206 176.870 0.193 0.000 1.080 383 L CA 1.556 56.375 54.840 -0.034 0.000 0.768 383 L CB -0.295 41.726 42.059 -0.063 0.000 0.924 383 L HN 0.126 nan 8.230 nan 0.000 0.444 384 E N -0.934 119.464 120.200 0.330 0.000 2.130 384 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 384 E C 2.091 178.942 176.600 0.419 0.000 0.998 384 E CA 1.492 58.226 56.400 0.558 0.000 0.806 384 E CB -0.091 30.017 29.700 0.680 0.000 0.738 384 E HN 0.567 nan 8.360 nan 0.000 0.459 385 S N -0.426 115.424 115.700 0.250 0.000 2.345 385 S HA -0.141 4.329 4.470 -0.000 0.000 0.220 385 S C 1.433 176.155 174.600 0.203 0.000 1.031 385 S CA 1.057 59.360 58.200 0.171 0.000 0.996 385 S CB -0.514 62.716 63.200 0.049 0.000 0.882 385 S HN 0.446 nan 8.310 nan 0.000 0.445 386 F N 1.432 121.433 119.950 0.085 0.000 2.045 386 F HA -0.288 4.239 4.527 -0.001 0.000 0.297 386 F C 2.083 178.002 175.800 0.198 0.000 1.114 386 F CA 2.276 60.373 58.000 0.162 0.000 1.207 386 F CB -0.996 38.184 39.000 0.300 0.000 0.964 386 F HN 0.380 nan 8.300 nan 0.000 0.486 387 Y N 0.241 120.720 120.300 0.298 0.000 2.070 387 Y HA -0.249 4.301 4.550 -0.001 0.000 0.280 387 Y C 2.290 178.289 175.900 0.164 0.000 1.148 387 Y CA 2.132 60.406 58.100 0.289 0.000 1.125 387 Y CB -0.955 37.734 38.460 0.381 0.000 0.975 387 Y HN 0.171 nan 8.280 nan 0.000 0.492 388 I N 0.881 121.547 120.570 0.159 0.000 2.361 388 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 388 I C 2.409 178.448 176.117 -0.130 0.000 1.133 388 I CA 1.587 62.883 61.300 -0.007 0.000 1.413 388 I CB -0.765 37.369 38.000 0.224 0.000 1.073 388 I HN 0.458 nan 8.210 nan 0.000 0.424 389 Q N -0.054 119.684 119.800 -0.104 0.000 2.079 389 Q HA -0.207 4.133 4.340 -0.000 0.000 0.200 389 Q C 2.211 178.072 176.000 -0.231 0.000 0.974 389 Q CA 1.542 57.261 55.803 -0.141 0.000 0.840 389 Q CB -0.001 28.668 28.738 -0.115 0.000 0.898 389 Q HN 0.433 nan 8.270 nan 0.000 0.430 390 K N -0.573 119.617 120.400 -0.350 0.000 2.097 390 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 390 K C 1.960 178.395 176.600 -0.276 0.000 1.049 390 K CA 1.381 57.420 56.287 -0.413 0.000 0.933 390 K CB 0.003 32.053 32.500 -0.750 0.000 0.717 390 K HN 0.087 nan 8.250 nan 0.000 0.442 391 V N 1.884 121.624 119.914 -0.290 0.000 2.358 391 V HA -0.224 3.895 4.120 -0.000 0.000 0.246 391 V C 2.227 178.170 176.094 -0.251 0.000 1.047 391 V CA 1.432 63.576 62.300 -0.259 0.000 1.035 391 V CB -0.435 31.171 31.823 -0.362 0.000 0.658 391 V HN 0.275 nan 8.190 nan 0.000 0.452 392 L N 0.130 121.223 121.223 -0.216 0.000 2.021 392 L HA -0.266 4.074 4.340 -0.000 0.000 0.215 392 L C 2.472 179.246 176.870 -0.160 0.000 1.074 392 L CA 1.992 56.726 54.840 -0.177 0.000 0.760 392 L CB -0.894 41.083 42.059 -0.138 0.000 0.889 392 L HN 0.399 nan 8.230 nan 0.000 0.433 393 D N 0.058 120.368 120.400 -0.151 0.000 2.144 393 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 393 D C 2.249 178.485 176.300 -0.108 0.000 0.984 393 D CA 1.307 55.234 54.000 -0.122 0.000 0.834 393 D CB -0.146 40.578 40.800 -0.126 0.000 0.955 393 D HN 0.404 nan 8.370 nan 0.000 0.465 394 I N 1.053 121.554 120.570 -0.116 0.000 2.179 394 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 394 I C 2.329 178.388 176.117 -0.098 0.000 1.088 394 I CA 0.596 61.853 61.300 -0.072 0.000 1.357 394 I CB -0.191 37.795 38.000 -0.023 0.000 1.051 394 I HN -0.045 nan 8.210 nan 0.000 0.409 395 I N 1.380 121.842 120.570 -0.180 0.000 2.127 395 I HA -0.302 3.868 4.170 -0.000 0.000 0.241 395 I C 2.939 178.979 176.117 -0.129 0.000 1.075 395 I CA 1.901 63.091 61.300 -0.184 0.000 1.334 395 I CB -1.715 36.139 38.000 -0.244 0.000 1.040 395 I HN 0.196 nan 8.210 nan 0.000 0.405 396 A N 0.420 123.168 122.820 -0.119 0.000 1.883 396 A HA -0.239 4.080 4.320 -0.000 0.000 0.217 396 A C 2.435 179.976 177.584 -0.072 0.000 1.186 396 A CA 2.671 54.651 52.037 -0.095 0.000 0.624 396 A CB -1.257 17.694 19.000 -0.082 0.000 0.822 396 A HN 0.441 nan 8.150 nan 0.000 0.444 397 T N 1.042 115.560 114.554 -0.061 0.000 2.737 397 T HA -0.139 4.210 4.350 -0.000 0.000 0.269 397 T C 1.545 176.225 174.700 -0.034 0.000 1.040 397 T CA 1.505 63.581 62.100 -0.040 0.000 1.142 397 T CB -0.489 68.363 68.868 -0.028 0.000 0.861 397 T HN 0.675 nan 8.240 nan 0.000 0.456 398 I N -0.858 119.688 120.570 -0.039 0.000 3.749 398 I HA 0.171 4.340 4.170 -0.000 0.000 0.314 398 I C -0.403 175.685 176.117 -0.049 0.000 1.267 398 I CA 0.197 61.478 61.300 -0.033 0.000 1.169 398 I CB -0.934 37.055 38.000 -0.019 0.000 1.009 398 I HN 0.122 nan 8.210 nan 0.000 0.444 399 N N 2.337 120.999 118.700 -0.063 0.000 2.738 399 N HA -0.141 4.598 4.740 -0.000 0.000 0.249 399 N C -0.427 175.013 175.510 -0.116 0.000 1.047 399 N CA 0.921 53.924 53.050 -0.079 0.000 0.707 399 N CB -0.730 37.724 38.487 -0.056 0.000 0.937 399 N HN 0.598 nan 8.380 nan 0.000 0.545 400 K N -0.160 120.151 120.400 -0.148 0.000 2.400 400 K HA 0.679 4.999 4.320 -0.000 0.000 0.246 400 K C 0.819 177.233 176.600 -0.310 0.000 0.995 400 K CA -0.505 55.652 56.287 -0.217 0.000 0.840 400 K CB 1.703 34.110 32.500 -0.156 0.000 1.293 400 K HN 0.136 nan 8.250 nan 0.000 0.445 401 G N 0.150 108.615 108.800 -0.559 0.000 2.477 401 G HA2 0.403 4.363 3.960 -0.000 0.000 0.304 401 G HA3 0.403 4.363 3.960 -0.000 0.000 0.304 401 G C -0.716 174.042 174.900 -0.236 0.000 1.175 401 G CA -0.238 44.457 45.100 -0.675 0.000 0.907 401 G HN 0.325 nan 8.290 nan 0.000 0.509 402 S N -0.663 115.031 115.700 -0.011 0.000 2.503 402 S HA 0.632 5.102 4.470 -0.000 0.000 0.301 402 S C -0.323 174.301 174.600 0.040 0.000 1.087 402 S CA -0.318 57.883 58.200 0.002 0.000 1.042 402 S CB 1.285 64.428 63.200 -0.095 0.000 1.043 402 S HN 0.439 nan 8.310 nan 0.000 0.489 403 I N 1.752 122.219 120.570 -0.172 0.000 2.846 403 I HA 0.715 4.885 4.170 -0.000 0.000 0.307 403 I C -0.973 174.723 176.117 -0.702 0.000 1.053 403 I CA -0.925 60.072 61.300 -0.505 0.000 1.050 403 I CB 2.080 39.616 38.000 -0.774 0.000 1.239 403 I HN 0.256 nan 8.210 nan 0.000 0.439 404 V N 2.927 122.432 119.914 -0.681 0.000 2.852 404 V HA 0.236 4.356 4.120 -0.000 0.000 0.300 404 V C -1.417 174.622 176.094 -0.091 0.000 1.205 404 V CA -0.597 61.536 62.300 -0.279 0.000 0.940 404 V CB 2.172 33.936 31.823 -0.099 0.000 1.047 404 V HN 0.630 nan 8.190 nan 0.000 0.429 405 W N 3.623 125.091 121.300 0.281 0.000 2.170 405 W HA 0.260 4.919 4.660 -0.001 0.000 0.336 405 W C 1.801 178.531 176.519 0.351 0.000 1.283 405 W CA 0.250 57.825 57.345 0.383 0.000 1.224 405 W CB 0.546 30.230 29.460 0.374 0.000 1.132 405 W HN 0.820 nan 8.180 nan 0.000 0.571 406 Q N 0.397 120.573 119.800 0.628 0.000 2.224 406 Q HA -0.356 3.983 4.340 -0.000 0.000 0.213 406 Q C 1.258 177.496 176.000 0.396 0.000 0.998 406 Q CA 2.347 58.379 55.803 0.383 0.000 0.895 406 Q CB -0.432 28.436 28.738 0.218 0.000 0.926 406 Q HN 0.634 nan 8.270 nan 0.000 0.417 407 E N 0.692 121.165 120.200 0.454 0.000 2.130 407 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 407 E C 2.035 178.829 176.600 0.323 0.000 0.998 407 E CA 1.750 58.366 56.400 0.361 0.000 0.806 407 E CB -0.125 29.800 29.700 0.375 0.000 0.738 407 E HN 0.291 nan 8.360 nan 0.000 0.459 408 V N 0.431 120.547 119.914 0.336 0.000 2.295 408 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 408 V C 1.923 178.151 176.094 0.223 0.000 1.049 408 V CA 1.975 64.433 62.300 0.263 0.000 1.024 408 V CB -0.531 31.427 31.823 0.226 0.000 0.648 408 V HN 0.288 nan 8.190 nan 0.000 0.447 409 F N 1.506 121.516 119.950 0.100 0.000 2.075 409 F HA -0.190 4.337 4.527 0.000 0.000 0.297 409 F C 2.240 178.101 175.800 0.102 0.000 1.113 409 F CA 2.068 60.115 58.000 0.078 0.000 1.218 409 F CB -0.351 38.696 39.000 0.079 0.000 0.984 409 F HN 0.187 nan 8.300 nan 0.000 0.472 410 D N 0.155 120.771 120.400 0.361 0.000 2.221 410 D HA -0.160 4.480 4.640 -0.000 0.000 0.204 410 D C 1.099 177.451 176.300 0.087 0.000 0.982 410 D CA 1.354 55.486 54.000 0.220 0.000 0.857 410 D CB -0.445 40.502 40.800 0.244 0.000 0.934 410 D HN 0.393 nan 8.370 nan 0.000 0.475 411 D N 0.151 120.615 120.400 0.106 0.000 2.395 411 D HA 0.041 4.681 4.640 -0.000 0.000 0.226 411 D C -0.034 176.277 176.300 0.019 0.000 1.146 411 D CA -0.059 53.997 54.000 0.093 0.000 0.830 411 D CB 0.037 40.948 40.800 0.184 0.000 0.958 411 D HN 0.175 nan 8.370 nan 0.000 0.501 412 K N -0.436 119.917 120.400 -0.079 0.000 3.148 412 K HA -0.186 4.134 4.320 -0.000 0.000 0.267 412 K C 0.119 176.680 176.600 -0.065 0.000 0.996 412 K CA 0.620 56.825 56.287 -0.137 0.000 0.737 412 K CB -2.136 30.300 32.500 -0.107 0.000 1.308 412 K HN 0.219 nan 8.250 nan 0.000 0.470 413 A N 1.367 124.168 122.820 -0.031 0.000 2.332 413 A HA 0.375 4.695 4.320 -0.000 0.000 0.258 413 A C 0.327 177.895 177.584 -0.027 0.000 1.087 413 A CA -0.240 51.794 52.037 -0.007 0.000 0.802 413 A CB 0.515 19.533 19.000 0.029 0.000 1.042 413 A HN 0.386 nan 8.150 nan 0.000 0.489 414 K N 2.118 122.510 120.400 -0.014 0.000 2.285 414 K HA 0.491 4.811 4.320 -0.000 0.000 0.286 414 K C -1.152 175.432 176.600 -0.027 0.000 1.072 414 K CA 0.013 56.301 56.287 0.001 0.000 0.913 414 K CB 0.016 32.525 32.500 0.015 0.000 1.067 414 K HN 0.552 nan 8.250 nan 0.000 0.479 415 L N 3.762 124.956 121.223 -0.048 0.000 2.322 415 L HA 0.561 4.901 4.340 -0.000 0.000 0.279 415 L C 0.398 177.240 176.870 -0.047 0.000 1.036 415 L CA -1.300 53.437 54.840 -0.171 0.000 0.807 415 L CB 1.694 43.419 42.059 -0.557 0.000 1.226 415 L HN 0.789 nan 8.230 nan 0.000 0.433 416 A N 3.362 126.153 122.820 -0.050 0.000 2.346 416 A HA 0.518 4.838 4.320 -0.000 0.000 0.252 416 A C -2.340 175.338 177.584 0.158 0.000 1.089 416 A CA -1.061 51.002 52.037 0.043 0.000 0.797 416 A CB -0.482 18.516 19.000 -0.004 0.000 1.047 416 A HN 0.482 nan 8.150 nan 0.000 0.494 417 P HA 0.376 nan 4.420 nan 0.000 0.276 417 P C 0.716 178.153 177.300 0.227 0.000 1.243 417 P CA 1.304 64.580 63.100 0.293 0.000 0.768 417 P CB 0.889 32.689 31.700 0.166 0.000 0.856 418 G N 1.880 110.868 108.800 0.314 0.000 2.176 418 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.232 418 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.232 418 G C 0.253 175.280 174.900 0.212 0.000 0.986 418 G CA -0.168 45.074 45.100 0.235 0.000 0.643 418 G HN 0.560 nan 8.290 nan 0.000 0.522 419 T N 1.857 116.474 114.554 0.106 0.000 2.866 419 T HA 0.353 4.703 4.350 -0.000 0.000 0.293 419 T C 0.926 175.606 174.700 -0.032 0.000 1.005 419 T CA 0.547 62.635 62.100 -0.020 0.000 1.162 419 T CB 0.768 69.481 68.868 -0.258 0.000 0.968 419 T HN 0.386 nan 8.240 nan 0.000 0.530 420 I N 3.295 123.821 120.570 -0.073 0.000 2.342 420 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 420 I C 0.104 176.076 176.117 -0.242 0.000 1.010 420 I CA -0.849 60.332 61.300 -0.199 0.000 1.308 420 I CB 1.075 38.836 38.000 -0.400 0.000 1.400 420 I HN 0.269 nan 8.210 nan 0.000 0.488 421 V N 5.823 125.621 119.914 -0.194 0.000 2.427 421 V HA 0.247 4.367 4.120 -0.000 0.000 0.286 421 V C 0.082 176.079 176.094 -0.161 0.000 1.034 421 V CA -0.582 61.622 62.300 -0.161 0.000 0.893 421 V CB 1.516 33.252 31.823 -0.144 0.000 0.982 421 V HN 0.741 nan 8.190 nan 0.000 0.452 422 E N 3.781 123.931 120.200 -0.084 0.000 2.113 422 E HA 0.481 4.830 4.350 -0.000 0.000 0.273 422 E C -1.335 175.447 176.600 0.305 0.000 0.924 422 E CA -0.534 55.876 56.400 0.016 0.000 0.764 422 E CB 1.746 31.386 29.700 -0.101 0.000 1.104 422 E HN 0.501 nan 8.360 nan 0.000 0.406 423 V N 7.493 127.520 119.914 0.188 0.000 2.385 423 V HA 0.131 4.251 4.120 -0.000 0.000 0.269 423 V C 0.493 176.749 176.094 0.270 0.000 1.043 423 V CA -0.235 62.162 62.300 0.162 0.000 0.906 423 V CB 0.323 32.143 31.823 -0.005 0.000 0.995 423 V HN 0.850 nan 8.190 nan 0.000 0.467 424 W N 3.326 124.736 121.300 0.183 0.000 2.661 424 W HA 0.375 5.035 4.660 0.000 0.000 0.288 424 W C 0.070 176.520 176.519 -0.115 0.000 1.014 424 W CA -0.666 56.770 57.345 0.152 0.000 1.396 424 W CB 0.292 29.957 29.460 0.343 0.000 0.963 424 W HN 0.317 nan 8.180 nan 0.000 0.584 425 K N 2.774 122.675 120.400 -0.832 0.000 2.312 425 K HA 0.029 4.349 4.320 -0.000 0.000 0.287 425 K C 0.443 176.818 176.600 -0.375 0.000 1.062 425 K CA -0.110 55.632 56.287 -0.909 0.000 0.934 425 K CB 1.442 33.334 32.500 -1.013 0.000 1.027 425 K HN -0.290 nan 8.250 nan 0.000 0.478 426 D N 1.016 121.245 120.400 -0.285 0.000 2.263 426 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 426 D C 0.174 176.480 176.300 0.010 0.000 0.971 426 D CA 0.886 54.845 54.000 -0.069 0.000 0.867 426 D CB 0.213 40.969 40.800 -0.074 0.000 0.929 426 D HN 0.263 nan 8.370 nan 0.000 0.492 427 S N -0.234 115.413 115.700 -0.089 0.000 2.670 427 S HA 0.318 4.788 4.470 -0.000 0.000 0.328 427 S C 0.155 174.713 174.600 -0.070 0.000 1.179 427 S CA 0.354 58.507 58.200 -0.078 0.000 1.194 427 S CB -0.733 62.404 63.200 -0.106 0.000 1.359 427 S HN 0.375 nan 8.310 nan 0.000 0.555 428 A N 3.808 126.569 122.820 -0.099 0.000 2.416 428 A HA -0.219 4.101 4.320 -0.000 0.000 0.293 428 A C 0.498 177.989 177.584 -0.155 0.000 1.452 428 A CA 1.297 53.235 52.037 -0.164 0.000 0.738 428 A CB -2.505 16.431 19.000 -0.106 0.000 1.123 428 A HN 1.290 nan 8.150 nan 0.000 0.389 429 Y N -1.702 118.535 120.300 -0.106 0.000 2.395 429 Y HA 0.222 4.772 4.550 0.000 0.000 0.293 429 Y C -0.462 175.361 175.900 -0.128 0.000 1.123 429 Y CA 0.236 58.259 58.100 -0.128 0.000 1.227 429 Y CB -1.538 36.839 38.460 -0.140 0.000 1.012 429 Y HN 0.400 nan 8.280 nan 0.000 0.552 430 P HA -0.178 nan 4.420 nan 0.000 0.216 430 P C 0.989 178.228 177.300 -0.101 0.000 1.150 430 P CA 2.363 65.365 63.100 -0.163 0.000 0.843 430 P CB -0.034 31.566 31.700 -0.167 0.000 0.787 431 E N -0.491 119.659 120.200 -0.083 0.000 2.150 431 E HA -0.163 4.186 4.350 -0.000 0.000 0.193 431 E C 1.841 178.412 176.600 -0.049 0.000 0.985 431 E CA 0.658 57.035 56.400 -0.037 0.000 0.814 431 E CB -0.505 29.180 29.700 -0.024 0.000 0.752 431 E HN 0.308 nan 8.360 nan 0.000 0.466 432 E N 1.402 121.565 120.200 -0.061 0.000 2.038 432 E HA -0.144 4.205 4.350 -0.000 0.000 0.195 432 E C 2.329 178.823 176.600 -0.177 0.000 1.000 432 E CA 0.725 57.080 56.400 -0.075 0.000 0.803 432 E CB -0.290 29.379 29.700 -0.052 0.000 0.750 432 E HN 0.291 nan 8.360 nan 0.000 0.448 433 L N 0.672 121.735 121.223 -0.268 0.000 2.043 433 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 433 L C 2.562 179.088 176.870 -0.574 0.000 1.075 433 L CA 1.183 55.690 54.840 -0.555 0.000 0.752 433 L CB -0.389 41.065 42.059 -1.008 0.000 0.891 433 L HN 0.038 nan 8.230 nan 0.000 0.432 434 S N -0.670 114.824 115.700 -0.344 0.000 2.355 434 S HA -0.138 4.331 4.470 -0.000 0.000 0.222 434 S C 2.032 176.646 174.600 0.024 0.000 1.031 434 S CA 1.056 59.261 58.200 0.008 0.000 0.993 434 S CB -0.158 63.124 63.200 0.138 0.000 0.859 434 S HN 0.351 nan 8.310 nan 0.000 0.453 435 R N 0.527 121.030 120.500 0.005 0.000 2.070 435 R HA -0.065 4.275 4.340 -0.000 0.000 0.233 435 R C 2.286 178.621 176.300 0.059 0.000 1.137 435 R CA 1.477 57.632 56.100 0.091 0.000 0.945 435 R CB -0.811 29.595 30.300 0.177 0.000 0.845 435 R HN 0.247 nan 8.270 nan 0.000 0.430 436 V N 1.028 120.805 119.914 -0.230 0.000 2.287 436 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 436 V C 2.608 178.654 176.094 -0.080 0.000 1.053 436 V CA 2.411 64.453 62.300 -0.429 0.000 1.027 436 V CB -1.007 30.484 31.823 -0.554 0.000 0.646 436 V HN 0.600 nan 8.190 nan 0.000 0.447 437 T N -1.030 113.501 114.554 -0.040 0.000 2.867 437 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 437 T C 1.921 176.654 174.700 0.055 0.000 1.057 437 T CA 1.308 63.439 62.100 0.052 0.000 1.136 437 T CB -0.457 68.514 68.868 0.171 0.000 0.874 437 T HN 0.474 nan 8.240 nan 0.000 0.466 438 A N 1.596 124.459 122.820 0.072 0.000 1.972 438 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 438 A C 2.586 180.188 177.584 0.030 0.000 1.169 438 A CA 1.689 53.765 52.037 0.065 0.000 0.635 438 A CB -0.968 18.084 19.000 0.088 0.000 0.810 438 A HN 0.522 nan 8.150 nan 0.000 0.446 439 S N -1.631 114.100 115.700 0.052 0.000 2.555 439 S HA 0.289 4.759 4.470 -0.000 0.000 0.230 439 S C 1.427 175.788 174.600 -0.399 0.000 0.978 439 S CA 0.947 59.124 58.200 -0.040 0.000 0.934 439 S CB -0.164 63.200 63.200 0.273 0.000 0.766 439 S HN 1.643 nan 8.310 nan 0.000 0.533 440 G N 0.776 109.400 108.800 -0.293 0.000 2.136 440 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.242 440 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.242 440 G C -0.162 174.491 174.900 -0.412 0.000 0.989 440 G CA -0.330 44.569 45.100 -0.335 0.000 0.682 440 G HN 0.383 nan 8.290 nan 0.000 0.522 441 F N 1.696 121.679 119.950 0.056 0.000 2.422 441 F HA 0.546 5.073 4.527 -0.001 0.000 0.333 441 F C -1.331 174.460 175.800 -0.014 0.000 1.095 441 F CA -3.009 55.007 58.000 0.026 0.000 1.038 441 F CB 1.285 40.303 39.000 0.030 0.000 1.156 441 F HN -0.141 nan 8.300 nan 0.000 0.483 442 P HA 0.073 nan 4.420 nan 0.000 0.268 442 P C -0.801 176.467 177.300 -0.053 0.000 1.205 442 P CA 0.149 63.275 63.100 0.043 0.000 0.771 442 P CB 1.771 33.478 31.700 0.012 0.000 0.858 443 V N 4.888 124.719 119.914 -0.138 0.000 2.789 443 V HA 0.515 4.635 4.120 -0.000 0.000 0.311 443 V C -0.578 175.239 176.094 -0.463 0.000 1.073 443 V CA -1.017 61.141 62.300 -0.237 0.000 0.921 443 V CB 1.892 33.618 31.823 -0.162 0.000 1.009 443 V HN 0.345 nan 8.190 nan 0.000 0.426 444 I N 6.143 126.451 120.570 -0.438 0.000 2.436 444 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 444 I C -0.978 174.967 176.117 -0.287 0.000 1.010 444 I CA -0.725 60.268 61.300 -0.512 0.000 1.098 444 I CB 1.894 39.590 38.000 -0.507 0.000 1.266 444 I HN 0.433 nan 8.210 nan 0.000 0.434 445 L N 5.974 127.042 121.223 -0.259 0.000 2.307 445 L HA 0.442 4.782 4.340 -0.000 0.000 0.282 445 L C 0.771 177.762 176.870 0.201 0.000 1.051 445 L CA 0.726 55.564 54.840 -0.002 0.000 0.804 445 L CB 1.505 43.631 42.059 0.112 0.000 1.197 445 L HN 0.745 nan 8.230 nan 0.000 0.431 446 S N 2.097 117.934 115.700 0.227 0.000 2.684 446 S HA 0.214 4.683 4.470 -0.000 0.000 0.268 446 S C 1.528 176.336 174.600 0.348 0.000 1.075 446 S CA 0.204 58.678 58.200 0.457 0.000 1.184 446 S CB -0.196 63.381 63.200 0.629 0.000 1.129 446 S HN 0.678 nan 8.310 nan 0.000 0.630 447 A N 3.610 126.419 122.820 -0.017 0.000 1.915 447 A HA -0.019 4.300 4.320 -0.000 0.000 0.220 447 A C -0.086 177.327 177.584 -0.285 0.000 1.198 447 A CA 2.158 54.038 52.037 -0.262 0.000 0.647 447 A CB -1.879 16.825 19.000 -0.494 0.000 0.825 447 A HN 0.624 nan 8.150 nan 0.000 0.456 448 P HA 0.009 nan 4.420 nan 0.000 0.253 448 P C -0.370 176.896 177.300 -0.057 0.000 1.260 448 P CA 0.290 63.193 63.100 -0.329 0.000 0.800 448 P CB -0.019 31.352 31.700 -0.547 0.000 1.162 449 W N -0.620 120.828 121.300 0.247 0.000 2.145 449 W HA 0.272 4.931 4.660 -0.002 0.000 0.370 449 W C -0.430 176.196 176.519 0.177 0.000 0.850 449 W CA -0.872 56.531 57.345 0.097 0.000 2.615 449 W CB -0.620 28.865 29.460 0.042 0.000 1.376 449 W HN -0.106 nan 8.180 nan 0.000 0.654 450 Y N 1.613 122.051 120.300 0.230 0.000 2.640 450 Y HA 0.070 4.619 4.550 -0.001 0.000 0.355 450 Y C 1.532 177.538 175.900 0.177 0.000 1.088 450 Y CA 0.080 58.314 58.100 0.223 0.000 1.443 450 Y CB 0.044 38.663 38.460 0.265 0.000 1.224 450 Y HN -0.095 nan 8.280 nan 0.000 0.516 451 L N 2.012 123.278 121.223 0.072 0.000 2.418 451 L HA -0.103 4.236 4.340 -0.000 0.000 0.218 451 L C 1.739 178.676 176.870 0.111 0.000 1.125 451 L CA 0.755 55.622 54.840 0.045 0.000 0.835 451 L CB -0.164 41.810 42.059 -0.141 0.000 0.953 451 L HN 0.593 nan 8.230 nan 0.000 0.454 452 D N 0.662 121.138 120.400 0.126 0.000 2.264 452 D HA -0.174 4.465 4.640 -0.000 0.000 0.208 452 D C 1.226 177.663 176.300 0.228 0.000 0.966 452 D CA 0.556 54.666 54.000 0.184 0.000 0.864 452 D CB -0.150 40.795 40.800 0.243 0.000 0.933 452 D HN 0.300 nan 8.370 nan 0.000 0.499 453 L N 2.367 123.754 121.223 0.273 0.000 2.437 453 L HA 0.232 4.572 4.340 -0.000 0.000 0.243 453 L C 0.643 177.651 176.870 0.230 0.000 1.346 453 L CA -0.520 54.473 54.840 0.254 0.000 1.233 453 L CB -0.623 41.618 42.059 0.303 0.000 1.436 453 L HN 0.062 nan 8.230 nan 0.000 0.416 454 I N -0.780 119.896 120.570 0.176 0.000 2.882 454 I HA 0.520 4.690 4.170 -0.000 0.000 0.286 454 I C 0.573 176.769 176.117 0.133 0.000 1.139 454 I CA 0.049 61.446 61.300 0.161 0.000 1.379 454 I CB 1.274 39.348 38.000 0.124 0.000 1.410 454 I HN 0.399 nan 8.210 nan 0.000 0.594 455 S N 2.551 118.330 115.700 0.133 0.000 2.611 455 S HA 0.349 4.819 4.470 -0.000 0.000 0.268 455 S C -1.016 173.680 174.600 0.161 0.000 1.156 455 S CA -0.896 57.383 58.200 0.132 0.000 0.817 455 S CB 0.587 63.852 63.200 0.109 0.000 1.122 455 S HN 0.746 nan 8.310 nan 0.000 0.466 456 Y N 2.090 122.415 120.300 0.042 0.000 2.544 456 Y HA 0.462 5.012 4.550 -0.001 0.000 0.330 456 Y C 1.022 176.951 175.900 0.048 0.000 1.136 456 Y CA 2.037 60.166 58.100 0.047 0.000 1.417 456 Y CB -0.211 38.270 38.460 0.036 0.000 1.229 456 Y HN 1.639 nan 8.280 nan 0.000 0.532 457 G N 4.631 113.108 108.800 -0.538 0.000 2.512 457 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.210 457 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.210 457 G C -0.743 174.064 174.900 -0.154 0.000 1.295 457 G CA -0.511 44.275 45.100 -0.524 0.000 0.934 457 G HN 0.674 nan 8.290 nan 0.000 0.554 458 Q N 1.449 121.183 119.800 -0.110 0.000 3.159 458 Q HA 0.166 4.506 4.340 -0.000 0.000 0.280 458 Q C 1.080 176.979 176.000 -0.168 0.000 1.403 458 Q CA 0.456 56.263 55.803 0.008 0.000 0.957 458 Q CB 0.044 28.776 28.738 -0.010 0.000 1.729 458 Q HN 0.606 nan 8.270 nan 0.000 0.551 459 D N 0.397 120.752 120.400 -0.076 0.000 2.348 459 D HA -0.201 4.439 4.640 -0.000 0.000 0.216 459 D C 1.453 177.542 176.300 -0.352 0.000 0.970 459 D CA 0.302 54.159 54.000 -0.239 0.000 0.889 459 D CB -0.344 40.333 40.800 -0.205 0.000 0.912 459 D HN 0.667 nan 8.370 nan 0.000 0.524 460 W N 2.024 123.301 121.300 -0.038 0.000 2.350 460 W HA -0.105 4.556 4.660 0.001 0.000 0.289 460 W C 1.440 178.070 176.519 0.184 0.000 1.215 460 W CA 0.390 57.833 57.345 0.164 0.000 1.236 460 W CB -0.846 28.733 29.460 0.199 0.000 1.130 460 W HN -0.031 nan 8.180 nan 0.000 0.541 461 R N 1.219 121.111 120.500 -1.013 0.000 2.070 461 R HA -0.138 4.202 4.340 -0.000 0.000 0.233 461 R C 2.396 178.564 176.300 -0.221 0.000 1.137 461 R CA 1.889 57.440 56.100 -0.915 0.000 0.945 461 R CB -0.795 28.880 30.300 -1.042 0.000 0.845 461 R HN 0.098 nan 8.270 nan 0.000 0.430 462 K N 0.265 120.519 120.400 -0.243 0.000 2.059 462 K HA -0.232 4.088 4.320 -0.000 0.000 0.212 462 K C 1.919 178.605 176.600 0.144 0.000 1.050 462 K CA 1.810 58.038 56.287 -0.099 0.000 0.927 462 K CB -0.142 32.227 32.500 -0.219 0.000 0.714 462 K HN 0.143 nan 8.250 nan 0.000 0.447 463 Y N -0.932 119.574 120.300 0.344 0.000 2.200 463 Y HA -0.189 4.361 4.550 -0.000 0.000 0.290 463 Y C 2.200 178.503 175.900 0.672 0.000 1.137 463 Y CA 1.030 59.493 58.100 0.605 0.000 1.163 463 Y CB -0.997 37.821 38.460 0.597 0.000 0.988 463 Y HN 0.204 nan 8.280 nan 0.000 0.518 464 Y N 0.925 121.562 120.300 0.561 0.000 2.352 464 Y HA -0.123 4.426 4.550 -0.003 0.000 0.292 464 Y C 1.875 177.997 175.900 0.370 0.000 1.136 464 Y CA 1.437 59.832 58.100 0.491 0.000 1.227 464 Y CB -0.106 38.669 38.460 0.525 0.000 0.991 464 Y HN -0.032 nan 8.280 nan 0.000 0.545 465 K N -0.141 120.508 120.400 0.414 0.000 2.459 465 K HA 0.080 4.400 4.320 -0.000 0.000 0.193 465 K C 0.192 176.920 176.600 0.214 0.000 1.030 465 K CA 0.033 56.478 56.287 0.263 0.000 1.026 465 K CB 0.190 32.800 32.500 0.184 0.000 0.809 465 K HN -0.034 nan 8.250 nan 0.000 0.504 466 V N 2.651 122.744 119.914 0.299 0.000 2.617 466 V HA -0.094 4.026 4.120 -0.000 0.000 0.304 466 V C 0.302 176.529 176.094 0.222 0.000 1.040 466 V CA 0.464 62.919 62.300 0.257 0.000 1.149 466 V CB 0.641 32.651 31.823 0.312 0.000 0.914 466 V HN 0.176 nan 8.190 nan 0.000 0.487 467 E N 8.261 128.549 120.200 0.146 0.000 2.101 467 E HA 0.373 4.722 4.350 -0.000 0.000 0.260 467 E C -1.922 174.729 176.600 0.086 0.000 0.897 467 E CA -2.728 53.740 56.400 0.113 0.000 0.744 467 E CB 1.546 31.284 29.700 0.062 0.000 1.140 467 E HN 0.317 nan 8.360 nan 0.000 0.419 468 P HA -0.114 nan 4.420 nan 0.000 0.219 468 P C 0.668 177.832 177.300 -0.226 0.000 1.146 468 P CA 1.004 64.049 63.100 -0.093 0.000 0.808 468 P CB 0.266 31.813 31.700 -0.256 0.000 0.779 469 L N -1.221 119.905 121.223 -0.161 0.000 2.607 469 L HA 0.101 4.441 4.340 -0.000 0.000 0.228 469 L C 0.031 176.751 176.870 -0.250 0.000 1.123 469 L CA 0.197 54.896 54.840 -0.235 0.000 0.890 469 L CB -0.399 41.526 42.059 -0.224 0.000 1.103 469 L HN -0.129 nan 8.230 nan 0.000 0.468 470 D N 2.256 122.620 120.400 -0.060 0.000 2.541 470 D HA 0.209 4.848 4.640 -0.000 0.000 0.231 470 D C -0.157 176.188 176.300 0.076 0.000 1.163 470 D CA 0.425 54.396 54.000 -0.049 0.000 1.077 470 D CB -0.349 40.445 40.800 -0.010 0.000 1.110 470 D HN 0.096 nan 8.370 nan 0.000 0.499 471 F N -1.944 117.969 119.950 -0.061 0.000 2.629 471 F HA 0.704 5.231 4.527 0.001 0.000 0.316 471 F C 0.507 176.288 175.800 -0.031 0.000 1.081 471 F CA -1.790 56.181 58.000 -0.048 0.000 0.954 471 F CB 0.585 39.569 39.000 -0.028 0.000 1.337 471 F HN -0.026 nan 8.300 nan 0.000 0.474 472 G N -0.372 108.508 108.800 0.133 0.000 2.442 472 G HA2 0.513 4.473 3.960 -0.000 0.000 0.249 472 G HA3 0.513 4.473 3.960 -0.000 0.000 0.249 472 G C -0.296 174.672 174.900 0.112 0.000 1.263 472 G CA -0.126 45.001 45.100 0.045 0.000 0.846 472 G HN 1.586 nan 8.290 nan 0.000 0.555 473 G N 0.514 109.308 108.800 -0.009 0.000 2.308 473 G HA2 0.533 4.493 3.960 -0.000 0.000 0.288 473 G HA3 0.533 4.493 3.960 -0.000 0.000 0.288 473 G C -0.186 174.684 174.900 -0.049 0.000 1.722 473 G CA -0.046 45.075 45.100 0.035 0.000 0.924 473 G HN 1.207 nan 8.290 nan 0.000 0.732 474 T N 0.054 114.607 114.554 -0.002 0.000 2.701 474 T HA 0.260 4.610 4.350 -0.000 0.000 0.303 474 T C 1.491 176.176 174.700 -0.026 0.000 1.030 474 T CA 0.258 62.349 62.100 -0.016 0.000 1.010 474 T CB 0.941 69.813 68.868 0.006 0.000 1.007 474 T HN 0.456 nan 8.240 nan 0.000 0.532 475 Q N 0.523 120.307 119.800 -0.026 0.000 2.062 475 Q HA -0.153 4.187 4.340 -0.000 0.000 0.209 475 Q C 2.249 178.255 176.000 0.011 0.000 0.996 475 Q CA 1.946 57.736 55.803 -0.020 0.000 0.859 475 Q CB -0.558 28.169 28.738 -0.019 0.000 0.920 475 Q HN 0.785 nan 8.270 nan 0.000 0.415 476 K N 0.300 120.712 120.400 0.020 0.000 2.209 476 K HA -0.168 4.151 4.320 -0.000 0.000 0.204 476 K C 2.138 178.777 176.600 0.064 0.000 1.048 476 K CA 0.992 57.300 56.287 0.036 0.000 0.940 476 K CB 0.053 32.568 32.500 0.025 0.000 0.729 476 K HN 0.216 nan 8.250 nan 0.000 0.451 477 Q N 0.342 120.187 119.800 0.074 0.000 2.046 477 Q HA -0.130 4.209 4.340 -0.000 0.000 0.200 477 Q C 1.736 177.863 176.000 0.211 0.000 0.975 477 Q CA 1.336 57.220 55.803 0.136 0.000 0.836 477 Q CB 0.265 29.092 28.738 0.149 0.000 0.896 477 Q HN 0.097 nan 8.270 nan 0.000 0.428 478 K N 0.340 120.823 120.400 0.139 0.000 2.057 478 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 478 K C 1.961 178.702 176.600 0.235 0.000 1.049 478 K CA 1.218 57.601 56.287 0.160 0.000 0.931 478 K CB -0.218 32.260 32.500 -0.037 0.000 0.714 478 K HN 0.381 nan 8.250 nan 0.000 0.440 479 Q N 0.611 120.501 119.800 0.150 0.000 2.308 479 Q HA -0.093 4.247 4.340 -0.000 0.000 0.209 479 Q C 2.002 178.114 176.000 0.186 0.000 0.985 479 Q CA 0.792 56.683 55.803 0.147 0.000 0.881 479 Q CB -0.175 28.614 28.738 0.085 0.000 0.917 479 Q HN 0.298 nan 8.270 nan 0.000 0.443 480 L N -0.655 120.692 121.223 0.206 0.000 2.395 480 L HA -0.008 4.332 4.340 -0.000 0.000 0.218 480 L C 0.652 177.649 176.870 0.212 0.000 1.130 480 L CA -0.267 54.680 54.840 0.179 0.000 0.826 480 L CB 0.035 42.178 42.059 0.140 0.000 0.941 480 L HN 0.156 nan 8.230 nan 0.000 0.451 481 F N 1.851 121.911 119.950 0.184 0.000 2.490 481 F HA 0.074 4.603 4.527 0.003 0.000 0.357 481 F C 1.297 177.218 175.800 0.200 0.000 1.166 481 F CA -0.303 57.805 58.000 0.180 0.000 1.116 481 F CB 0.322 39.503 39.000 0.302 0.000 1.171 481 F HN -0.023 nan 8.300 nan 0.000 0.576 482 I N 2.686 123.167 120.570 -0.149 0.000 3.860 482 I HA 0.565 4.735 4.170 -0.000 0.000 0.319 482 I C 0.923 177.034 176.117 -0.009 0.000 1.279 482 I CA 0.531 61.848 61.300 0.028 0.000 1.220 482 I CB -0.407 37.568 38.000 -0.041 0.000 1.027 482 I HN 0.646 nan 8.210 nan 0.000 0.428 483 G N 0.473 108.959 108.800 -0.523 0.000 2.347 483 G HA2 0.408 4.368 3.960 -0.000 0.000 0.224 483 G HA3 0.408 4.368 3.960 -0.000 0.000 0.224 483 G C -0.775 173.880 174.900 -0.408 0.000 1.318 483 G CA -0.287 44.570 45.100 -0.405 0.000 1.016 483 G HN 0.664 nan 8.290 nan 0.000 0.469 484 G N -1.211 107.596 108.800 0.012 0.000 2.550 484 G HA2 0.687 4.647 3.960 -0.000 0.000 0.293 484 G HA3 0.687 4.647 3.960 -0.000 0.000 0.293 484 G C -1.838 173.238 174.900 0.294 0.000 1.402 484 G CA -0.104 45.115 45.100 0.199 0.000 0.784 484 G HN 0.772 nan 8.290 nan 0.000 0.482 485 E N -0.890 119.520 120.200 0.349 0.000 2.331 485 E HA 0.573 4.923 4.350 -0.000 0.000 0.275 485 E C -0.603 176.143 176.600 0.244 0.000 0.895 485 E CA -1.018 55.546 56.400 0.274 0.000 0.753 485 E CB 2.669 32.533 29.700 0.273 0.000 1.216 485 E HN 0.760 nan 8.360 nan 0.000 0.434 486 A N 1.553 124.407 122.820 0.057 0.000 2.301 486 A HA 0.470 4.790 4.320 -0.000 0.000 0.298 486 A C -0.450 177.020 177.584 -0.189 0.000 1.185 486 A CA -0.418 51.581 52.037 -0.063 0.000 0.830 486 A CB 0.281 19.139 19.000 -0.236 0.000 1.112 486 A HN 0.673 nan 8.150 nan 0.000 0.508 487 C N 2.566 121.719 119.300 -0.245 0.000 2.329 487 C HA 0.577 5.036 4.460 -0.000 0.000 0.329 487 C C -0.206 174.467 174.990 -0.530 0.000 1.275 487 C CA -0.332 58.360 59.018 -0.544 0.000 1.726 487 C CB 0.516 27.739 27.740 -0.862 0.000 2.291 487 C HN 0.787 nan 8.230 nan 0.000 0.514 488 L N 4.392 125.266 121.223 -0.583 0.000 2.384 488 L HA 0.500 4.840 4.340 -0.000 0.000 0.261 488 L C -0.832 175.806 176.870 -0.386 0.000 1.024 488 L CA -0.250 54.362 54.840 -0.380 0.000 0.899 488 L CB -0.104 41.763 42.059 -0.321 0.000 1.243 488 L HN 0.756 nan 8.230 nan 0.000 0.449 489 W N 2.700 123.857 121.300 -0.239 0.000 2.150 489 W HA 0.467 5.126 4.660 -0.001 0.000 0.341 489 W C 1.485 177.937 176.519 -0.111 0.000 1.276 489 W CA -0.047 57.163 57.345 -0.225 0.000 1.238 489 W CB 1.004 30.308 29.460 -0.259 0.000 1.128 489 W HN 0.661 nan 8.180 nan 0.000 0.581 490 G N 0.544 109.451 108.800 0.178 0.000 3.141 490 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.218 490 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.218 490 G C 0.944 175.935 174.900 0.152 0.000 1.170 490 G CA -0.058 45.138 45.100 0.160 0.000 0.769 490 G HN 0.488 nan 8.290 nan 0.000 0.546 491 E N 0.097 120.273 120.200 -0.039 0.000 2.085 491 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 491 E C 0.673 176.987 176.600 -0.477 0.000 0.994 491 E CA 1.179 57.347 56.400 -0.387 0.000 0.801 491 E CB -0.147 29.119 29.700 -0.723 0.000 0.743 491 E HN 0.627 nan 8.360 nan 0.000 0.453 492 Y N -1.194 119.223 120.300 0.195 0.000 2.636 492 Y HA 0.340 4.890 4.550 -0.000 0.000 0.260 492 Y C -0.449 175.488 175.900 0.062 0.000 1.177 492 Y CA -0.443 57.741 58.100 0.140 0.000 1.209 492 Y CB 0.770 39.286 38.460 0.094 0.000 1.166 492 Y HN -0.239 nan 8.280 nan 0.000 0.531 493 V N 1.531 121.522 119.914 0.129 0.000 2.656 493 V HA 0.550 4.670 4.120 -0.000 0.000 0.307 493 V C -0.753 175.258 176.094 -0.138 0.000 1.051 493 V CA -0.699 61.610 62.300 0.015 0.000 0.893 493 V CB 2.128 33.981 31.823 0.049 0.000 0.999 493 V HN 0.305 nan 8.190 nan 0.000 0.426 494 D N 3.306 123.602 120.400 -0.173 0.000 2.946 494 D HA 0.497 5.136 4.640 -0.000 0.000 0.337 494 D C 0.996 177.260 176.300 -0.059 0.000 1.332 494 D CA 0.080 53.999 54.000 -0.135 0.000 0.935 494 D CB 1.125 41.756 40.800 -0.283 0.000 1.440 494 D HN 0.540 nan 8.370 nan 0.000 0.540 495 A N -0.401 122.407 122.820 -0.021 0.000 1.958 495 A HA -0.192 4.128 4.320 -0.000 0.000 0.221 495 A C 2.015 179.593 177.584 -0.010 0.000 1.178 495 A CA 3.764 55.798 52.037 -0.005 0.000 0.642 495 A CB -1.805 17.207 19.000 0.020 0.000 0.816 495 A HN 0.831 nan 8.150 nan 0.000 0.453 496 T N -1.573 112.969 114.554 -0.021 0.000 2.962 496 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 496 T C 1.109 175.805 174.700 -0.008 0.000 1.088 496 T CA 1.510 63.603 62.100 -0.013 0.000 1.127 496 T CB -0.344 68.513 68.868 -0.017 0.000 0.883 496 T HN 0.723 nan 8.240 nan 0.000 0.493 497 N N -0.044 118.646 118.700 -0.017 0.000 2.118 497 N HA 0.156 4.896 4.740 -0.000 0.000 0.226 497 N C 1.303 176.811 175.510 -0.003 0.000 1.305 497 N CA -0.091 52.958 53.050 -0.002 0.000 0.890 497 N CB -0.477 38.013 38.487 0.005 0.000 1.118 497 N HN 0.432 nan 8.380 nan 0.000 0.511 498 L N 0.613 121.826 121.223 -0.016 0.000 2.056 498 L HA -0.008 4.331 4.340 -0.000 0.000 0.207 498 L C 1.641 178.488 176.870 -0.039 0.000 1.078 498 L CA 1.572 56.389 54.840 -0.038 0.000 0.749 498 L CB -0.473 41.559 42.059 -0.045 0.000 0.901 498 L HN 0.054 nan 8.230 nan 0.000 0.433 499 T N 0.806 115.375 114.554 0.024 0.000 2.732 499 T HA -0.005 4.344 4.350 -0.000 0.000 0.261 499 T C -0.823 173.949 174.700 0.120 0.000 1.040 499 T CA 1.422 63.594 62.100 0.122 0.000 1.145 499 T CB -1.025 67.929 68.868 0.144 0.000 0.866 499 T HN 0.360 nan 8.240 nan 0.000 0.427 500 P HA -0.018 nan 4.420 nan 0.000 0.225 500 P C 1.252 178.577 177.300 0.042 0.000 1.148 500 P CA 1.011 64.153 63.100 0.070 0.000 0.779 500 P CB 0.017 31.747 31.700 0.050 0.000 0.780 501 R N -0.283 120.218 120.500 0.001 0.000 2.080 501 R HA 0.084 4.424 4.340 -0.000 0.000 0.222 501 R C 2.411 178.656 176.300 -0.091 0.000 1.107 501 R CA 0.532 56.622 56.100 -0.015 0.000 0.980 501 R CB -0.724 29.568 30.300 -0.014 0.000 0.879 501 R HN 0.098 nan 8.270 nan 0.000 0.439 502 L N -0.405 120.670 121.223 -0.246 0.000 2.072 502 L HA -0.021 4.318 4.340 -0.000 0.000 0.205 502 L C -0.071 176.442 176.870 -0.595 0.000 1.079 502 L CA 0.918 55.390 54.840 -0.613 0.000 0.752 502 L CB 0.098 41.503 42.059 -1.090 0.000 0.906 502 L HN 0.186 nan 8.230 nan 0.000 0.436 503 W N -1.061 120.219 121.300 -0.033 0.000 2.702 503 W HA 0.327 4.986 4.660 -0.001 0.000 0.331 503 W C -1.733 174.753 176.519 -0.055 0.000 1.049 503 W CA -1.543 55.773 57.345 -0.048 0.000 1.230 503 W CB 0.550 29.965 29.460 -0.074 0.000 1.408 503 W HN -0.246 nan 8.180 nan 0.000 0.492 504 P HA 0.039 nan 4.420 nan 0.000 0.253 504 P C 1.095 178.503 177.300 0.182 0.000 1.260 504 P CA 0.416 63.611 63.100 0.159 0.000 0.800 504 P CB 0.301 31.930 31.700 -0.119 0.000 1.162 505 R N 0.667 121.269 120.500 0.170 0.000 2.103 505 R HA -0.109 4.231 4.340 -0.000 0.000 0.242 505 R C 2.182 178.616 176.300 0.223 0.000 1.142 505 R CA 1.838 58.105 56.100 0.278 0.000 0.960 505 R CB -1.037 29.439 30.300 0.292 0.000 0.858 505 R HN 0.162 nan 8.270 nan 0.000 0.439 506 A N 0.355 123.164 122.820 -0.018 0.000 2.070 506 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 506 A C 2.141 179.976 177.584 0.419 0.000 1.159 506 A CA 1.353 53.353 52.037 -0.062 0.000 0.656 506 A CB -0.220 18.357 19.000 -0.704 0.000 0.800 506 A HN 0.214 nan 8.150 nan 0.000 0.453 507 S N -0.002 116.014 115.700 0.525 0.000 2.368 507 S HA -0.058 4.412 4.470 -0.000 0.000 0.225 507 S C 2.341 177.403 174.600 0.770 0.000 1.030 507 S CA 1.118 59.707 58.200 0.647 0.000 0.999 507 S CB -0.439 62.879 63.200 0.195 0.000 0.844 507 S HN 0.812 nan 8.310 nan 0.000 0.459 508 A N 1.278 124.497 122.820 0.664 0.000 1.883 508 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 508 A C 2.346 180.298 177.584 0.613 0.000 1.186 508 A CA 1.778 54.364 52.037 0.914 0.000 0.624 508 A CB -1.036 18.539 19.000 0.957 0.000 0.822 508 A HN 0.348 nan 8.150 nan 0.000 0.444 509 V N -0.100 119.992 119.914 0.297 0.000 2.343 509 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 509 V C 2.823 178.868 176.094 -0.083 0.000 1.051 509 V CA 2.015 64.215 62.300 -0.168 0.000 1.036 509 V CB -1.523 29.985 31.823 -0.524 0.000 0.654 509 V HN 0.630 nan 8.190 nan 0.000 0.451 510 G N -0.525 108.344 108.800 0.114 0.000 2.418 510 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.217 510 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.217 510 G C 1.537 176.388 174.900 -0.082 0.000 1.158 510 G CA 1.016 45.911 45.100 -0.342 0.000 0.771 510 G HN 0.610 nan 8.290 nan 0.000 0.545 511 E N 0.116 120.387 120.200 0.118 0.000 2.107 511 E HA -0.120 4.229 4.350 -0.000 0.000 0.191 511 E C 2.446 179.016 176.600 -0.050 0.000 0.982 511 E CA 0.871 57.194 56.400 -0.128 0.000 0.809 511 E CB -0.073 29.326 29.700 -0.503 0.000 0.756 511 E HN 0.299 nan 8.360 nan 0.000 0.459 512 R N 0.445 120.934 120.500 -0.019 0.000 2.148 512 R HA 0.016 4.356 4.340 -0.000 0.000 0.223 512 R C 1.877 178.252 176.300 0.124 0.000 1.088 512 R CA 1.107 57.197 56.100 -0.017 0.000 0.985 512 R CB -0.287 30.028 30.300 0.025 0.000 0.880 512 R HN 0.292 nan 8.270 nan 0.000 0.451 513 L N -0.762 120.515 121.223 0.091 0.000 2.509 513 L HA 0.023 4.363 4.340 -0.000 0.000 0.222 513 L C 1.818 178.873 176.870 0.309 0.000 1.123 513 L CA 0.221 55.205 54.840 0.239 0.000 0.856 513 L CB -0.252 41.836 42.059 0.047 0.000 0.985 513 L HN 0.389 nan 8.230 nan 0.000 0.456 514 W N 0.193 121.487 121.300 -0.009 0.000 2.922 514 W HA 0.149 4.809 4.660 -0.001 0.000 0.260 514 W C 1.007 177.487 176.519 -0.064 0.000 1.088 514 W CA 0.138 57.459 57.345 -0.039 0.000 1.694 514 W CB 0.121 29.524 29.460 -0.095 0.000 1.064 514 W HN -0.121 nan 8.180 nan 0.000 0.611 515 S N 1.423 117.246 115.700 0.205 0.000 2.641 515 S HA 0.150 4.620 4.470 -0.000 0.000 0.261 515 S C 0.229 174.808 174.600 -0.034 0.000 1.257 515 S CA -0.401 57.854 58.200 0.092 0.000 0.983 515 S CB 0.876 64.094 63.200 0.029 0.000 0.990 515 S HN 0.053 nan 8.310 nan 0.000 0.572 516 S N 1.440 117.110 115.700 -0.050 0.000 2.549 516 S HA 0.058 4.528 4.470 -0.000 0.000 0.286 516 S C 1.376 175.953 174.600 -0.037 0.000 1.314 516 S CA -0.480 57.679 58.200 -0.067 0.000 1.062 516 S CB 0.366 63.534 63.200 -0.054 0.000 0.865 516 S HN 0.730 nan 8.310 nan 0.000 0.498 517 K N 1.936 122.314 120.400 -0.037 0.000 2.195 517 K HA -0.309 4.010 4.320 -0.000 0.000 0.216 517 K C 0.971 177.569 176.600 -0.003 0.000 1.039 517 K CA 2.391 58.672 56.287 -0.009 0.000 0.940 517 K CB -0.240 32.239 32.500 -0.034 0.000 0.778 517 K HN 0.850 nan 8.250 nan 0.000 0.475 518 D N -0.570 119.825 120.400 -0.009 0.000 2.368 518 D HA 0.021 4.661 4.640 -0.000 0.000 0.218 518 D C -0.135 176.180 176.300 0.025 0.000 1.112 518 D CA -0.189 53.815 54.000 0.007 0.000 0.834 518 D CB 0.131 40.931 40.800 0.000 0.000 0.953 518 D HN -0.043 nan 8.370 nan 0.000 0.505 519 V N 2.185 122.110 119.914 0.018 0.000 2.370 519 V HA 0.233 4.353 4.120 -0.000 0.000 0.257 519 V C 1.015 177.170 176.094 0.102 0.000 1.064 519 V CA -0.098 62.232 62.300 0.050 0.000 0.975 519 V CB -0.214 31.621 31.823 0.021 0.000 1.067 519 V HN 0.349 nan 8.190 nan 0.000 0.485 520 R N 1.879 122.486 120.500 0.178 0.000 2.486 520 R HA 0.174 4.514 4.340 -0.000 0.000 0.388 520 R C -0.363 176.115 176.300 0.296 0.000 0.810 520 R CA -0.667 55.615 56.100 0.302 0.000 1.057 520 R CB -0.067 30.347 30.300 0.190 0.000 1.670 520 R HN 0.546 nan 8.270 nan 0.000 0.551 521 D N 1.833 122.369 120.400 0.226 0.000 2.382 521 D HA 0.032 4.671 4.640 -0.000 0.000 0.259 521 D C 1.258 177.685 176.300 0.211 0.000 1.224 521 D CA -0.085 54.022 54.000 0.178 0.000 0.894 521 D CB 0.947 41.828 40.800 0.134 0.000 1.127 521 D HN -0.055 nan 8.370 nan 0.000 0.487 522 M N 2.913 122.619 119.600 0.177 0.000 2.080 522 M HA -0.152 4.328 4.480 -0.000 0.000 0.260 522 M C 1.332 177.757 176.300 0.209 0.000 1.068 522 M CA 1.413 56.809 55.300 0.160 0.000 1.109 522 M CB -0.818 31.826 32.600 0.073 0.000 1.342 522 M HN 0.444 nan 8.290 nan 0.000 0.405 523 D N 0.068 120.564 120.400 0.160 0.000 2.149 523 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 523 D C 1.722 178.156 176.300 0.224 0.000 0.990 523 D CA 1.388 55.499 54.000 0.185 0.000 0.839 523 D CB -0.327 40.544 40.800 0.119 0.000 0.948 523 D HN 0.433 nan 8.370 nan 0.000 0.460 524 D N 0.014 120.524 120.400 0.182 0.000 2.123 524 D HA -0.009 4.631 4.640 -0.000 0.000 0.200 524 D C 1.985 178.403 176.300 0.196 0.000 0.976 524 D CA 1.384 55.481 54.000 0.161 0.000 0.831 524 D CB -0.058 40.821 40.800 0.131 0.000 0.974 524 D HN 0.050 nan 8.370 nan 0.000 0.469 525 A N -0.350 122.611 122.820 0.235 0.000 1.917 525 A HA -0.241 4.078 4.320 -0.000 0.000 0.219 525 A C 2.245 179.952 177.584 0.206 0.000 1.182 525 A CA 1.761 53.963 52.037 0.275 0.000 0.633 525 A CB -1.417 17.594 19.000 0.019 0.000 0.819 525 A HN 0.526 nan 8.150 nan 0.000 0.448 526 Y N 0.647 121.040 120.300 0.155 0.000 2.181 526 Y HA -0.213 4.337 4.550 -0.000 0.000 0.288 526 Y C 2.026 177.901 175.900 -0.042 0.000 1.146 526 Y CA 2.058 60.192 58.100 0.057 0.000 1.164 526 Y CB -0.555 38.020 38.460 0.191 0.000 0.982 526 Y HN 0.513 nan 8.280 nan 0.000 0.515 527 D N -0.997 119.395 120.400 -0.014 0.000 2.103 527 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 527 D C 2.189 178.402 176.300 -0.146 0.000 0.978 527 D CA 1.324 55.256 54.000 -0.112 0.000 0.829 527 D CB -0.003 40.817 40.800 0.033 0.000 0.981 527 D HN 0.255 nan 8.370 nan 0.000 0.464 528 R N -0.399 120.096 120.500 -0.008 0.000 2.075 528 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 528 R C 2.220 178.465 176.300 -0.092 0.000 1.126 528 R CA 0.676 56.805 56.100 0.048 0.000 0.963 528 R CB -0.436 30.010 30.300 0.245 0.000 0.858 528 R HN 0.213 nan 8.270 nan 0.000 0.435 529 L N 1.243 122.295 121.223 -0.285 0.000 2.042 529 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 529 L C 2.224 178.748 176.870 -0.576 0.000 1.076 529 L CA 2.276 56.668 54.840 -0.746 0.000 0.749 529 L CB -0.873 40.464 42.059 -1.204 0.000 0.893 529 L HN 0.330 nan 8.230 nan 0.000 0.432 530 T N -3.046 111.157 114.554 -0.584 0.000 2.746 530 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 530 T C 2.055 176.548 174.700 -0.345 0.000 1.039 530 T CA 1.445 63.243 62.100 -0.502 0.000 1.142 530 T CB -0.466 68.055 68.868 -0.577 0.000 0.866 530 T HN 0.327 nan 8.240 nan 0.000 0.444 531 R N -0.001 120.330 120.500 -0.282 0.000 2.075 531 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 531 R C 2.584 178.789 176.300 -0.159 0.000 1.126 531 R CA 1.387 57.366 56.100 -0.202 0.000 0.963 531 R CB -0.599 29.605 30.300 -0.160 0.000 0.858 531 R HN 0.515 nan 8.270 nan 0.000 0.435 532 H N 1.052 119.967 119.070 -0.259 0.000 2.319 532 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 532 H C 2.107 177.263 175.328 -0.288 0.000 1.092 532 H CA 1.825 57.717 56.048 -0.261 0.000 1.302 532 H CB 0.003 29.563 29.762 -0.337 0.000 1.373 532 H HN -0.052 nan 8.280 nan 0.000 0.497 533 R N 0.122 120.380 120.500 -0.403 0.000 2.081 533 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 533 R C 2.313 178.424 176.300 -0.314 0.000 1.131 533 R CA 1.603 57.464 56.100 -0.398 0.000 0.960 533 R CB -1.142 28.964 30.300 -0.323 0.000 0.856 533 R HN 0.476 nan 8.270 nan 0.000 0.436 534 c N 0.324 118.766 118.600 -0.263 0.000 2.413 534 c HA -0.062 4.507 4.570 -0.000 0.000 0.277 534 c C 2.881 176.838 174.090 -0.221 0.000 1.265 534 c CA 1.016 57.215 56.329 -0.216 0.000 1.752 534 c CB -1.125 41.263 42.510 -0.204 0.000 1.998 534 c HN 0.548 nan 8.230 nan 0.000 0.489 535 R N 0.415 120.761 120.500 -0.257 0.000 2.070 535 R HA -0.128 4.212 4.340 -0.000 0.000 0.233 535 R C 2.278 178.369 176.300 -0.347 0.000 1.137 535 R CA 1.778 57.712 56.100 -0.277 0.000 0.945 535 R CB -0.343 29.800 30.300 -0.263 0.000 0.845 535 R HN 0.452 nan 8.270 nan 0.000 0.430 536 M N -0.199 119.145 119.600 -0.426 0.000 2.082 536 M HA -0.219 4.261 4.480 -0.000 0.000 0.258 536 M C 2.232 178.392 176.300 -0.234 0.000 1.069 536 M CA 1.767 56.840 55.300 -0.379 0.000 1.102 536 M CB -0.226 32.112 32.600 -0.435 0.000 1.336 536 M HN 0.098 nan 8.290 nan 0.000 0.404 537 V N 0.129 119.924 119.914 -0.198 0.000 2.332 537 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 537 V C 2.148 178.180 176.094 -0.104 0.000 1.055 537 V CA 2.100 64.325 62.300 -0.124 0.000 1.038 537 V CB -0.770 30.987 31.823 -0.110 0.000 0.651 537 V HN 0.519 nan 8.190 nan 0.000 0.450 538 E N -0.129 119.992 120.200 -0.132 0.000 2.204 538 E HA -0.169 4.180 4.350 -0.000 0.000 0.195 538 E C 2.064 178.613 176.600 -0.085 0.000 0.990 538 E CA 0.756 57.096 56.400 -0.100 0.000 0.821 538 E CB 0.048 29.678 29.700 -0.117 0.000 0.750 538 E HN 0.532 nan 8.360 nan 0.000 0.477 539 R N -0.949 119.467 120.500 -0.140 0.000 2.356 539 R HA 0.119 4.459 4.340 -0.000 0.000 0.234 539 R C 0.734 177.045 176.300 0.017 0.000 0.929 539 R CA 0.472 56.516 56.100 -0.094 0.000 1.084 539 R CB 0.680 30.754 30.300 -0.377 0.000 1.105 539 R HN 0.199 nan 8.270 nan 0.000 0.515 540 G N 1.526 110.320 108.800 -0.010 0.000 2.160 540 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 540 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 540 G C -0.004 174.900 174.900 0.006 0.000 1.022 540 G CA -0.340 44.767 45.100 0.010 0.000 0.741 540 G HN 0.172 nan 8.290 nan 0.000 0.508 541 I N 0.942 121.496 120.570 -0.026 0.000 2.304 541 I HA 0.500 4.669 4.170 -0.000 0.000 0.291 541 I C 1.170 177.265 176.117 -0.037 0.000 1.018 541 I CA -0.536 60.733 61.300 -0.052 0.000 1.260 541 I CB 0.929 38.837 38.000 -0.153 0.000 1.390 541 I HN 0.311 nan 8.210 nan 0.000 0.475 542 A N 6.079 128.904 122.820 0.008 0.000 2.958 542 A HA 0.463 4.782 4.320 -0.000 0.000 0.247 542 A C 1.014 178.620 177.584 0.037 0.000 1.679 542 A CA -0.283 51.763 52.037 0.015 0.000 1.345 542 A CB -0.777 18.238 19.000 0.025 0.000 1.013 542 A HN 0.781 nan 8.150 nan 0.000 0.641 543 A N 0.908 123.739 122.820 0.018 0.000 2.425 543 A HA 0.481 4.801 4.320 -0.000 0.000 0.249 543 A C 0.632 178.226 177.584 0.017 0.000 1.084 543 A CA -0.359 51.715 52.037 0.062 0.000 0.781 543 A CB 0.148 19.170 19.000 0.036 0.000 1.019 543 A HN 0.848 nan 8.150 nan 0.000 0.490 544 Q N 1.781 121.605 119.800 0.041 0.000 2.318 544 Q HA 0.548 4.888 4.340 -0.000 0.000 0.222 544 Q C -2.571 173.428 176.000 -0.001 0.000 1.003 544 Q CA -1.733 54.085 55.803 0.025 0.000 0.936 544 Q CB -0.077 28.690 28.738 0.048 0.000 1.204 544 Q HN 0.419 nan 8.270 nan 0.000 0.524 545 P HA 0.048 nan 4.420 nan 0.000 0.274 545 P C -0.157 177.156 177.300 0.022 0.000 1.256 545 P CA -0.234 62.861 63.100 -0.007 0.000 0.795 545 P CB 0.617 32.323 31.700 0.010 0.000 1.038 546 L N -0.887 120.349 121.223 0.022 0.000 2.253 546 L HA 0.167 4.507 4.340 -0.000 0.000 0.205 546 L C 0.452 177.528 176.870 0.343 0.000 1.078 546 L CA 1.063 55.972 54.840 0.115 0.000 0.805 546 L CB -0.028 42.015 42.059 -0.027 0.000 0.963 546 L HN 0.425 nan 8.230 nan 0.000 0.459 547 Y N -1.518 118.857 120.300 0.126 0.000 2.895 547 Y HA 0.509 5.060 4.550 0.001 0.000 0.339 547 Y C -0.665 175.295 175.900 0.100 0.000 1.363 547 Y CA -1.261 56.917 58.100 0.132 0.000 1.085 547 Y CB 0.583 39.164 38.460 0.201 0.000 1.500 547 Y HN -0.134 nan 8.280 nan 0.000 0.442 548 A N 1.403 123.738 122.820 -0.808 0.000 2.547 548 A HA 0.503 4.823 4.320 -0.000 0.000 0.233 548 A C 0.700 178.200 177.584 -0.140 0.000 1.067 548 A CA 1.494 53.245 52.037 -0.477 0.000 0.763 548 A CB -1.050 17.563 19.000 -0.645 0.000 1.007 548 A HN 2.040 nan 8.150 nan 0.000 0.506 549 G N -0.491 108.290 108.800 -0.031 0.000 2.332 549 G HA2 0.536 4.496 3.960 -0.000 0.000 0.265 549 G HA3 0.536 4.496 3.960 -0.000 0.000 0.265 549 G C -0.923 174.099 174.900 0.204 0.000 1.329 549 G CA 0.177 45.342 45.100 0.108 0.000 0.949 549 G HN 2.367 nan 8.290 nan 0.000 0.476 550 Y N -2.217 118.052 120.300 -0.052 0.000 2.689 550 Y HA 0.776 5.326 4.550 -0.000 0.000 0.333 550 Y C -0.213 175.651 175.900 -0.060 0.000 1.208 550 Y CA -1.735 56.333 58.100 -0.053 0.000 1.055 550 Y CB 0.419 38.852 38.460 -0.045 0.000 1.304 550 Y HN 0.933 nan 8.280 nan 0.000 0.455 551 c N 2.647 121.168 118.600 -0.131 0.000 2.358 551 c HA 0.812 5.381 4.570 -0.000 0.000 0.354 551 c C -0.496 173.462 174.090 -0.220 0.000 1.183 551 c CA -0.202 55.961 56.329 -0.278 0.000 2.150 551 c CB 0.473 42.891 42.510 -0.154 0.000 2.361 551 c HN 0.927 nan 8.230 nan 0.000 0.535 552 N N 0.000 118.551 118.700 -0.248 0.000 1.763 552 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 552 N CA 0.000 52.980 53.050 -0.117 0.000 0.885 552 N CB 0.000 38.481 38.487 -0.011 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667