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 2gjx_1_B DATA FIRST_RESID 54 DATA SEQUENCE PALWPLPLSV KMTPNLLHLA PENFYISHSP NSTAGPScTL LEEAFRRYHG DATA SEQUENCE YIFGXXXXXX XXXXXXXXTQ VQQLLVSITL QSEcDAFPNI SSDESYTLLV DATA SEQUENCE KEPVAVLKAN RVWGALRGLE TFSQLVYQDS YGTFTINEST IIDSPRFSHR DATA SEQUENCE GILIDTSRHY LPVKIILKTL DAMAFNKFNV LHWHIVDDQS FPYQSITFPE DATA SEQUENCE LSNKGSYSLS HVYTPNDVRM VIEYARLRGI RVLPEFDTPG HTLSWGKGQK DATA SEQUENCE DLLTPcYSXX XXXDSFGPIN PTLNTTYSFL TTFFKEISEV FPDQFIHLGG DATA SEQUENCE DEVEFKcWES NPKIQDFMRQ KGFGTDFKKL ESFYIQKVLD IIATINKGSI DATA SEQUENCE VWQEVFDDKA KLAPGTIVEV WKDSAYPEEL SRVTASGFPV ILSAPWYLDL DATA SEQUENCE ISYGQDWRKY YKVEPLDFGG TQKQKQLFIG GEACLWGEYV DATNLTPRLW DATA SEQUENCE PRASAVGERL WSSKDVRDMD DAYDRLTRHR cRMVERGIAA QPLYAGYcN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 54 P HA 0.000 nan 4.420 nan 0.000 0.216 54 P C 0.000 177.282 177.300 -0.030 0.000 1.155 54 P CA 0.000 63.066 63.100 -0.057 0.000 0.800 54 P CB 0.000 31.687 31.700 -0.021 0.000 0.726 55 A N 2.684 125.479 122.820 -0.042 0.000 3.118 55 A HA 0.496 4.816 4.320 -0.000 0.000 0.256 55 A C 0.204 177.809 177.584 0.036 0.000 1.667 55 A CA -0.280 51.754 52.037 -0.005 0.000 1.338 55 A CB -0.768 18.210 19.000 -0.037 0.000 1.127 55 A HN 0.441 nan 8.150 nan 0.000 0.634 56 L N 1.390 122.640 121.223 0.045 0.000 2.289 56 L HA 0.492 4.832 4.340 -0.000 0.000 0.285 56 L C -0.354 176.554 176.870 0.063 0.000 1.049 56 L CA -0.456 54.403 54.840 0.032 0.000 0.804 56 L CB 1.234 43.299 42.059 0.010 0.000 1.195 56 L HN 0.665 nan 8.230 nan 0.000 0.428 57 W N 6.155 127.290 121.300 -0.275 0.000 3.326 57 W HA 0.342 5.002 4.660 -0.000 0.000 0.333 57 W C -2.919 173.328 176.519 -0.453 0.000 1.108 57 W CA -1.605 55.491 57.345 -0.414 0.000 1.245 57 W CB 2.355 31.369 29.460 -0.743 0.000 1.331 57 W HN 0.226 nan 8.180 nan 0.000 0.464 58 P HA 0.095 nan 4.420 nan 0.000 0.274 58 P C -0.433 176.606 177.300 -0.434 0.000 1.246 58 P CA -0.454 62.176 63.100 -0.783 0.000 0.795 58 P CB 0.857 32.193 31.700 -0.606 0.000 1.006 59 L N 3.551 124.551 121.223 -0.371 0.000 2.433 59 L HA 0.293 4.633 4.340 -0.000 0.000 0.275 59 L C -2.294 174.575 176.870 -0.002 0.000 1.128 59 L CA -1.800 52.957 54.840 -0.139 0.000 0.875 59 L CB -0.506 41.488 42.059 -0.108 0.000 1.171 59 L HN 0.255 nan 8.230 nan 0.000 0.463 60 P HA -0.046 nan 4.420 nan 0.000 0.269 60 P C 0.600 177.953 177.300 0.088 0.000 1.217 60 P CA -0.317 62.873 63.100 0.149 0.000 0.783 60 P CB 0.542 32.312 31.700 0.116 0.000 0.898 61 L N 1.677 122.941 121.223 0.068 0.000 2.013 61 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 61 L C 0.695 177.555 176.870 -0.017 0.000 1.073 61 L CA 2.178 57.011 54.840 -0.012 0.000 0.753 61 L CB -0.589 41.425 42.059 -0.075 0.000 0.890 61 L HN 0.349 nan 8.230 nan 0.000 0.432 62 S N -1.305 114.384 115.700 -0.019 0.000 2.614 62 S HA 0.664 5.134 4.470 -0.000 0.000 0.288 62 S C -1.286 173.316 174.600 0.003 0.000 1.137 62 S CA -0.695 57.497 58.200 -0.013 0.000 0.992 62 S CB 1.223 64.407 63.200 -0.026 0.000 1.026 62 S HN -0.045 nan 8.310 nan 0.000 0.486 63 V N 5.566 125.487 119.914 0.012 0.000 2.525 63 V HA 0.522 4.642 4.120 -0.000 0.000 0.299 63 V C -0.646 175.461 176.094 0.021 0.000 1.034 63 V CA -0.757 61.557 62.300 0.024 0.000 0.863 63 V CB 1.849 33.689 31.823 0.029 0.000 0.999 63 V HN 0.841 nan 8.190 nan 0.000 0.423 64 K N 5.256 125.671 120.400 0.025 0.000 2.484 64 K HA 0.539 4.859 4.320 -0.000 0.000 0.226 64 K C -0.610 176.005 176.600 0.026 0.000 1.031 64 K CA -0.443 55.858 56.287 0.022 0.000 1.026 64 K CB 1.025 33.537 32.500 0.019 0.000 1.412 64 K HN 0.512 nan 8.250 nan 0.000 0.492 65 M N 2.123 121.737 119.600 0.024 0.000 2.235 65 M HA 0.159 4.639 4.480 -0.000 0.000 0.351 65 M C 0.452 176.765 176.300 0.022 0.000 1.178 65 M CA 0.050 55.365 55.300 0.025 0.000 1.143 65 M CB 1.107 33.720 32.600 0.022 0.000 1.530 65 M HN 0.502 nan 8.290 nan 0.000 0.461 66 T N -0.053 114.515 114.554 0.023 0.000 2.861 66 T HA 0.555 4.905 4.350 -0.000 0.000 0.287 66 T C -2.485 172.227 174.700 0.020 0.000 1.003 66 T CA -1.762 60.350 62.100 0.020 0.000 0.977 66 T CB 1.656 70.535 68.868 0.018 0.000 0.996 66 T HN 0.337 nan 8.240 nan 0.000 0.448 67 P HA 0.134 nan 4.420 nan 0.000 0.269 67 P C -0.332 176.979 177.300 0.017 0.000 1.376 67 P CA 0.037 63.150 63.100 0.021 0.000 0.775 67 P CB -0.404 31.308 31.700 0.019 0.000 1.345 68 N N 0.455 119.161 118.700 0.010 0.000 2.426 68 N HA 0.200 4.940 4.740 -0.000 0.000 0.257 68 N C -0.565 174.928 175.510 -0.029 0.000 1.002 68 N CA -0.335 52.712 53.050 -0.004 0.000 0.942 68 N CB 0.242 38.727 38.487 -0.002 0.000 1.112 68 N HN -0.074 nan 8.380 nan 0.000 0.499 69 L N 3.236 124.422 121.223 -0.060 0.000 2.395 69 L HA 0.435 4.775 4.340 -0.000 0.000 0.269 69 L C -0.179 176.529 176.870 -0.270 0.000 1.133 69 L CA -0.481 54.266 54.840 -0.155 0.000 0.812 69 L CB 0.627 42.587 42.059 -0.165 0.000 1.125 69 L HN 0.331 nan 8.230 nan 0.000 0.452 70 L N 2.352 123.364 121.223 -0.352 0.000 2.438 70 L HA 0.426 4.766 4.340 -0.000 0.000 0.270 70 L C -0.967 175.667 176.870 -0.394 0.000 0.972 70 L CA -0.673 53.973 54.840 -0.322 0.000 0.831 70 L CB 2.035 44.019 42.059 -0.125 0.000 1.273 70 L HN 0.585 nan 8.230 nan 0.000 0.405 71 H N 2.528 121.582 119.070 -0.026 0.000 2.479 71 H HA 0.679 5.235 4.556 -0.000 0.000 0.335 71 H C -0.895 174.435 175.328 0.004 0.000 1.142 71 H CA -0.632 55.402 56.048 -0.023 0.000 1.234 71 H CB 1.775 31.537 29.762 0.001 0.000 1.503 71 H HN 0.247 nan 8.280 nan 0.000 0.510 72 L N 1.180 122.490 121.223 0.145 0.000 2.303 72 L HA 0.726 5.066 4.340 -0.000 0.000 0.266 72 L C -0.354 176.614 176.870 0.164 0.000 1.011 72 L CA -0.755 54.141 54.840 0.093 0.000 0.818 72 L CB 1.765 43.749 42.059 -0.125 0.000 1.326 72 L HN 0.773 nan 8.230 nan 0.000 0.435 73 A N 1.290 124.171 122.820 0.103 0.000 2.357 73 A HA 0.741 5.061 4.320 -0.000 0.000 0.295 73 A C -2.245 175.162 177.584 -0.294 0.000 1.121 73 A CA -1.320 50.701 52.037 -0.027 0.000 0.742 73 A CB 0.993 19.991 19.000 -0.003 0.000 1.181 73 A HN 0.542 nan 8.150 nan 0.000 0.454 74 P HA -0.237 nan 4.420 nan 0.000 0.214 74 P C 0.521 177.515 177.300 -0.510 0.000 1.164 74 P CA 1.520 63.885 63.100 -1.226 0.000 0.942 74 P CB 0.211 31.425 31.700 -0.810 0.000 0.791 75 E N -1.412 118.615 120.200 -0.289 0.000 2.424 75 E HA 0.017 4.367 4.350 -0.000 0.000 0.237 75 E C 0.526 177.022 176.600 -0.174 0.000 1.381 75 E CA 0.025 56.325 56.400 -0.167 0.000 1.587 75 E CB -0.622 29.021 29.700 -0.095 0.000 1.398 75 E HN 0.152 nan 8.360 nan 0.000 0.439 76 N N -0.366 118.162 118.700 -0.287 0.000 1.850 76 N HA -0.029 4.711 4.740 -0.000 0.000 0.230 76 N C -0.964 174.162 175.510 -0.640 0.000 1.419 76 N CA -0.283 52.547 53.050 -0.366 0.000 0.762 76 N CB 0.345 38.762 38.487 -0.116 0.000 1.047 76 N HN 0.068 nan 8.380 nan 0.000 0.503 77 F N 2.067 121.678 119.950 -0.565 0.000 2.404 77 F HA 0.501 5.028 4.527 -0.000 0.000 0.345 77 F C -1.113 174.435 175.800 -0.421 0.000 1.110 77 F CA -0.342 57.468 58.000 -0.317 0.000 1.130 77 F CB 0.283 39.353 39.000 0.116 0.000 1.129 77 F HN -0.102 nan 8.300 nan 0.000 0.500 78 Y N 5.700 125.625 120.300 -0.625 0.000 2.499 78 Y HA 0.599 5.149 4.550 -0.000 0.000 0.347 78 Y C -0.501 174.925 175.900 -0.789 0.000 0.987 78 Y CA -1.437 56.339 58.100 -0.542 0.000 1.044 78 Y CB 1.558 39.820 38.460 -0.330 0.000 1.245 78 Y HN 0.320 nan 8.280 nan 0.000 0.461 79 I N 3.126 123.433 120.570 -0.439 0.000 2.420 79 I HA 0.473 4.643 4.170 -0.000 0.000 0.282 79 I C -0.610 174.993 176.117 -0.857 0.000 1.019 79 I CA -0.341 60.559 61.300 -0.667 0.000 1.130 79 I CB 0.956 38.585 38.000 -0.619 0.000 1.262 79 I HN 0.670 nan 8.210 nan 0.000 0.454 80 S N 2.924 118.200 115.700 -0.707 0.000 2.704 80 S HA 0.608 5.078 4.470 -0.000 0.000 0.296 80 S C -0.653 173.648 174.600 -0.499 0.000 1.138 80 S CA -1.011 56.843 58.200 -0.577 0.000 0.875 80 S CB 1.296 64.338 63.200 -0.263 0.000 1.151 80 S HN 0.527 nan 8.310 nan 0.000 0.500 81 H N 0.649 119.643 119.070 -0.127 0.000 2.629 81 H HA 0.550 5.106 4.556 -0.000 0.000 0.357 81 H C 0.502 175.791 175.328 -0.066 0.000 1.121 81 H CA 0.252 56.272 56.048 -0.047 0.000 1.406 81 H CB 0.690 30.467 29.762 0.026 0.000 1.456 81 H HN 0.612 nan 8.280 nan 0.000 0.579 82 S N 2.171 117.911 115.700 0.066 0.000 2.565 82 S HA 0.060 4.530 4.470 -0.000 0.000 0.276 82 S C -1.308 173.308 174.600 0.027 0.000 1.326 82 S CA -1.401 56.809 58.200 0.017 0.000 1.045 82 S CB 0.483 63.686 63.200 0.005 0.000 0.918 82 S HN 0.517 nan 8.310 nan 0.000 0.505 83 P HA -0.135 nan 4.420 nan 0.000 0.217 83 P C 0.092 177.391 177.300 -0.002 0.000 1.148 83 P CA 1.346 64.445 63.100 -0.002 0.000 0.834 83 P CB -0.228 31.467 31.700 -0.009 0.000 0.783 84 N N -2.048 116.652 118.700 0.001 0.000 2.538 84 N HA 0.181 4.921 4.740 -0.000 0.000 0.291 84 N C -0.300 175.213 175.510 0.004 0.000 1.323 84 N CA -0.363 52.687 53.050 -0.000 0.000 0.934 84 N CB 0.319 38.805 38.487 -0.001 0.000 1.255 84 N HN -0.124 nan 8.380 nan 0.000 0.509 85 S N 0.228 115.933 115.700 0.009 0.000 2.608 85 S HA 0.186 4.656 4.470 -0.000 0.000 0.291 85 S C 1.350 175.945 174.600 -0.009 0.000 1.146 85 S CA -0.495 57.714 58.200 0.016 0.000 1.043 85 S CB 1.295 64.530 63.200 0.057 0.000 1.037 85 S HN 0.385 nan 8.310 nan 0.000 0.520 86 T N 0.802 115.349 114.554 -0.012 0.000 3.148 86 T HA 0.444 4.794 4.350 -0.000 0.000 0.253 86 T C 0.364 175.029 174.700 -0.059 0.000 1.134 86 T CA 0.222 62.303 62.100 -0.032 0.000 1.051 86 T CB -0.171 68.681 68.868 -0.025 0.000 0.959 86 T HN 0.719 nan 8.240 nan 0.000 0.525 87 A N -0.068 122.715 122.820 -0.062 0.000 2.371 87 A HA 0.871 5.191 4.320 -0.000 0.000 0.311 87 A C 0.214 177.603 177.584 -0.325 0.000 1.068 87 A CA -0.481 51.476 52.037 -0.133 0.000 0.744 87 A CB 1.632 20.602 19.000 -0.050 0.000 1.239 87 A HN 0.509 nan 8.150 nan 0.000 0.435 88 G N 0.131 108.631 108.800 -0.501 0.000 3.105 88 G HA2 0.621 4.581 3.960 -0.000 0.000 0.277 88 G HA3 0.621 4.581 3.960 -0.000 0.000 0.277 88 G C -2.439 171.999 174.900 -0.770 0.000 1.375 88 G CA -1.286 43.387 45.100 -0.712 0.000 0.962 88 G HN 0.304 nan 8.290 nan 0.000 0.541 89 P HA -0.056 nan 4.420 nan 0.000 0.226 89 P C 1.810 179.073 177.300 -0.061 0.000 1.146 89 P CA 1.732 64.803 63.100 -0.048 0.000 0.773 89 P CB 0.192 31.897 31.700 0.008 0.000 0.772 90 S N -2.758 112.870 115.700 -0.120 0.000 2.562 90 S HA -0.038 4.432 4.470 -0.000 0.000 0.221 90 S C 0.953 175.498 174.600 -0.091 0.000 0.975 90 S CA -0.236 57.912 58.200 -0.087 0.000 0.918 90 S CB -1.311 61.837 63.200 -0.086 0.000 0.772 90 S HN 0.175 nan 8.310 nan 0.000 0.531 91 c N 4.577 123.106 118.600 -0.119 0.000 2.289 91 c HA 0.488 5.058 4.570 -0.000 0.000 0.340 91 c C 2.280 176.314 174.090 -0.092 0.000 1.152 91 c CA 0.072 56.334 56.329 -0.112 0.000 1.650 91 c CB -1.084 41.349 42.510 -0.127 0.000 2.203 91 c HN 0.716 nan 8.230 nan 0.000 0.511 92 T N 3.399 117.897 114.554 -0.093 0.000 2.746 92 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 92 T C 1.788 176.413 174.700 -0.125 0.000 1.039 92 T CA 1.738 63.785 62.100 -0.087 0.000 1.142 92 T CB -0.407 68.419 68.868 -0.071 0.000 0.866 92 T HN 0.743 nan 8.240 nan 0.000 0.444 93 L N 0.299 121.430 121.223 -0.152 0.000 1.989 93 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 93 L C 2.753 179.467 176.870 -0.259 0.000 1.071 93 L CA 1.641 56.373 54.840 -0.180 0.000 0.749 93 L CB -0.382 41.555 42.059 -0.203 0.000 0.890 93 L HN 0.307 nan 8.230 nan 0.000 0.431 94 L N -0.738 120.284 121.223 -0.335 0.000 2.056 94 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 94 L C 2.742 178.997 176.870 -1.026 0.000 1.078 94 L CA 0.945 55.363 54.840 -0.703 0.000 0.749 94 L CB -0.728 41.029 42.059 -0.503 0.000 0.901 94 L HN 0.303 nan 8.230 nan 0.000 0.433 95 E N 0.174 120.105 120.200 -0.448 0.000 2.070 95 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 95 E C 2.112 178.626 176.600 -0.144 0.000 1.004 95 E CA 1.181 57.469 56.400 -0.186 0.000 0.805 95 E CB -0.148 29.541 29.700 -0.019 0.000 0.744 95 E HN 0.438 nan 8.360 nan 0.000 0.451 96 E N 0.307 120.417 120.200 -0.150 0.000 2.072 96 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 96 E C 1.993 178.566 176.600 -0.045 0.000 0.985 96 E CA 0.960 57.314 56.400 -0.077 0.000 0.801 96 E CB -0.215 29.438 29.700 -0.079 0.000 0.750 96 E HN 0.210 nan 8.360 nan 0.000 0.452 97 A N 0.668 123.414 122.820 -0.124 0.000 1.972 97 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 97 A C 1.909 179.646 177.584 0.255 0.000 1.169 97 A CA 0.978 53.044 52.037 0.048 0.000 0.635 97 A CB -0.587 18.377 19.000 -0.061 0.000 0.810 97 A HN 0.105 nan 8.150 nan 0.000 0.446 98 F N -0.281 119.742 119.950 0.123 0.000 2.113 98 F HA -0.006 4.521 4.527 -0.000 0.000 0.297 98 F C 2.381 178.283 175.800 0.169 0.000 1.103 98 F CA 1.126 59.196 58.000 0.118 0.000 1.248 98 F CB -0.931 38.071 39.000 0.003 0.000 0.999 98 F HN 0.224 nan 8.300 nan 0.000 0.475 99 R N 0.489 121.158 120.500 0.283 0.000 2.092 99 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 99 R C 2.444 178.837 176.300 0.155 0.000 1.119 99 R CA 1.142 57.350 56.100 0.180 0.000 0.970 99 R CB -0.157 30.196 30.300 0.089 0.000 0.864 99 R HN 0.170 nan 8.270 nan 0.000 0.440 100 R N -0.782 119.791 120.500 0.121 0.000 2.066 100 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 100 R C 1.528 177.793 176.300 -0.057 0.000 1.131 100 R CA 1.676 57.761 56.100 -0.024 0.000 0.955 100 R CB -0.243 30.047 30.300 -0.016 0.000 0.851 100 R HN 0.281 nan 8.270 nan 0.000 0.432 101 Y N -1.194 119.257 120.300 0.252 0.000 2.516 101 Y HA -0.088 4.462 4.550 -0.000 0.000 0.291 101 Y C 1.923 178.001 175.900 0.297 0.000 1.131 101 Y CA 1.277 59.592 58.100 0.358 0.000 1.281 101 Y CB -0.066 38.611 38.460 0.362 0.000 1.013 101 Y HN 0.298 nan 8.280 nan 0.000 0.554 102 H N -1.001 118.266 119.070 0.329 0.000 2.524 102 H HA 0.007 4.563 4.556 -0.000 0.000 0.282 102 H C 2.275 177.757 175.328 0.258 0.000 1.016 102 H CA 1.178 57.434 56.048 0.347 0.000 1.270 102 H CB -0.070 29.873 29.762 0.302 0.000 1.394 102 H HN 0.312 nan 8.280 nan 0.000 0.568 103 G N -1.310 107.570 108.800 0.134 0.000 2.459 103 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.213 103 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.213 103 G C 0.888 175.738 174.900 -0.082 0.000 1.155 103 G CA 0.193 45.275 45.100 -0.031 0.000 0.811 103 G HN 0.342 nan 8.290 nan 0.000 0.534 104 Y N 0.810 121.119 120.300 0.016 0.000 2.220 104 Y HA 0.142 4.692 4.550 -0.000 0.000 0.291 104 Y C 2.686 178.542 175.900 -0.072 0.000 1.129 104 Y CA 0.207 58.278 58.100 -0.048 0.000 1.161 104 Y CB -0.379 38.028 38.460 -0.088 0.000 0.997 104 Y HN 0.095 nan 8.280 nan 0.000 0.522 105 I N -1.381 119.213 120.570 0.041 0.000 2.127 105 I HA -0.336 3.834 4.170 -0.000 0.000 0.241 105 I C 1.671 177.499 176.117 -0.482 0.000 1.075 105 I CA 1.736 62.852 61.300 -0.307 0.000 1.334 105 I CB -0.388 37.260 38.000 -0.586 0.000 1.040 105 I HN 0.082 nan 8.210 nan 0.000 0.405 106 F N 0.211 120.023 119.950 -0.229 0.000 2.208 106 F HA 0.244 4.771 4.527 -0.000 0.000 0.282 106 F C 1.967 177.780 175.800 0.021 0.000 1.071 106 F CA 0.346 58.158 58.000 -0.313 0.000 1.228 106 F CB -1.344 37.286 39.000 -0.616 0.000 1.088 106 F HN -0.101 nan 8.300 nan 0.000 0.512 123 Q N 1.935 121.780 119.800 0.076 0.000 2.331 123 Q HA 0.646 4.986 4.340 -0.000 0.000 0.267 123 Q C -1.228 174.832 176.000 0.099 0.000 1.006 123 Q CA -0.531 55.331 55.803 0.098 0.000 0.818 123 Q CB 1.919 30.720 28.738 0.106 0.000 1.276 123 Q HN 0.231 nan 8.270 nan 0.000 0.450 124 V N 5.279 125.265 119.914 0.120 0.000 2.385 124 V HA 0.076 4.196 4.120 -0.000 0.000 0.269 124 V C 0.539 176.799 176.094 0.276 0.000 1.043 124 V CA 0.097 62.506 62.300 0.183 0.000 0.906 124 V CB 1.188 33.135 31.823 0.207 0.000 0.995 124 V HN 0.931 nan 8.190 nan 0.000 0.467 125 Q N 2.873 122.806 119.800 0.223 0.000 2.391 125 Q HA 0.198 4.538 4.340 -0.000 0.000 0.211 125 Q C 0.601 176.675 176.000 0.124 0.000 0.908 125 Q CA 0.384 56.303 55.803 0.195 0.000 0.920 125 Q CB 0.944 29.755 28.738 0.122 0.000 1.056 125 Q HN 0.792 nan 8.270 nan 0.000 0.523 126 Q N 0.412 120.256 119.800 0.073 0.000 2.391 126 Q HA 0.409 4.749 4.340 -0.000 0.000 0.279 126 Q C -2.157 173.751 176.000 -0.154 0.000 1.028 126 Q CA -0.633 55.065 55.803 -0.176 0.000 0.836 126 Q CB 1.914 30.603 28.738 -0.081 0.000 1.414 126 Q HN 0.107 nan 8.270 nan 0.000 0.397 127 L N 4.520 125.512 121.223 -0.385 0.000 2.295 127 L HA 0.483 4.823 4.340 -0.000 0.000 0.281 127 L C -1.764 174.892 176.870 -0.357 0.000 1.018 127 L CA -0.187 54.464 54.840 -0.315 0.000 0.841 127 L CB 1.073 42.890 42.059 -0.403 0.000 1.218 127 L HN 0.647 nan 8.230 nan 0.000 0.424 128 L N 5.892 126.970 121.223 -0.242 0.000 2.281 128 L HA 0.396 4.736 4.340 -0.000 0.000 0.285 128 L C -0.397 176.354 176.870 -0.199 0.000 1.074 128 L CA -0.634 54.077 54.840 -0.215 0.000 0.817 128 L CB 1.368 43.355 42.059 -0.121 0.000 1.168 128 L HN 0.325 nan 8.230 nan 0.000 0.434 129 V N 3.028 122.806 119.914 -0.227 0.000 2.333 129 V HA 0.181 4.301 4.120 -0.000 0.000 0.274 129 V C 0.293 176.385 176.094 -0.004 0.000 1.028 129 V CA -0.145 62.088 62.300 -0.113 0.000 0.851 129 V CB 1.346 33.126 31.823 -0.071 0.000 1.000 129 V HN 0.766 nan 8.190 nan 0.000 0.456 130 S N 6.466 122.173 115.700 0.011 0.000 2.474 130 S HA 0.581 5.051 4.470 -0.000 0.000 0.321 130 S C -0.503 174.123 174.600 0.044 0.000 1.080 130 S CA -0.687 57.534 58.200 0.035 0.000 1.106 130 S CB 0.285 63.495 63.200 0.017 0.000 0.984 130 S HN 0.470 nan 8.310 nan 0.000 0.464 131 I N 5.731 126.331 120.570 0.051 0.000 2.312 131 I HA 0.198 4.368 4.170 -0.000 0.000 0.291 131 I C 1.569 177.698 176.117 0.020 0.000 1.031 131 I CA -0.052 61.266 61.300 0.030 0.000 1.293 131 I CB 0.388 38.396 38.000 0.013 0.000 1.403 131 I HN 0.612 nan 8.210 nan 0.000 0.484 132 T N 6.005 120.573 114.554 0.023 0.000 2.571 132 T HA 0.057 4.407 4.350 -0.000 0.000 0.255 132 T C 1.323 176.030 174.700 0.013 0.000 1.100 132 T CA 0.791 62.903 62.100 0.019 0.000 1.199 132 T CB -0.049 68.835 68.868 0.026 0.000 0.870 132 T HN 0.322 nan 8.240 nan 0.000 0.399 133 L N 0.737 121.970 121.223 0.016 0.000 2.598 133 L HA 0.239 4.579 4.340 -0.000 0.000 0.202 133 L C 0.959 177.829 176.870 0.001 0.000 1.190 133 L CA -0.636 54.213 54.840 0.014 0.000 0.869 133 L CB -0.056 42.019 42.059 0.027 0.000 1.529 133 L HN 0.277 nan 8.230 nan 0.000 0.520 134 Q N 0.129 119.931 119.800 0.003 0.000 2.244 134 Q HA -0.042 4.298 4.340 -0.000 0.000 0.276 134 Q C 1.185 177.166 176.000 -0.033 0.000 1.122 134 Q CA 0.203 56.000 55.803 -0.010 0.000 0.920 134 Q CB 0.824 29.565 28.738 0.004 0.000 1.186 134 Q HN 0.698 nan 8.270 nan 0.000 0.393 135 S N 3.607 119.268 115.700 -0.066 0.000 2.381 135 S HA -0.281 4.189 4.470 -0.000 0.000 0.230 135 S C 0.220 174.695 174.600 -0.209 0.000 1.052 135 S CA 1.597 59.718 58.200 -0.132 0.000 1.068 135 S CB -0.272 62.848 63.200 -0.134 0.000 0.918 135 S HN 0.922 nan 8.310 nan 0.000 0.448 136 E N -0.925 119.193 120.200 -0.136 0.000 2.553 136 E HA -0.223 4.127 4.350 -0.000 0.000 0.264 136 E C 0.887 177.336 176.600 -0.251 0.000 1.068 136 E CA 0.491 56.822 56.400 -0.116 0.000 0.774 136 E CB -2.531 27.158 29.700 -0.017 0.000 1.349 136 E HN 0.696 nan 8.360 nan 0.000 0.404 137 c N 0.430 118.891 118.600 -0.230 0.000 2.413 137 c HA -0.155 4.415 4.570 -0.000 0.000 0.276 137 c C 1.590 175.555 174.090 -0.209 0.000 1.248 137 c CA 1.614 57.788 56.329 -0.259 0.000 1.742 137 c CB -0.244 42.154 42.510 -0.186 0.000 2.017 137 c HN 0.452 nan 8.230 nan 0.000 0.481 138 D N 0.525 120.846 120.400 -0.132 0.000 2.363 138 D HA 0.337 4.977 4.640 -0.000 0.000 0.214 138 D C 0.564 176.809 176.300 -0.091 0.000 1.093 138 D CA 0.587 54.521 54.000 -0.110 0.000 0.837 138 D CB 0.205 40.965 40.800 -0.065 0.000 0.948 138 D HN 0.622 nan 8.370 nan 0.000 0.507 139 A N -0.023 122.782 122.820 -0.025 0.000 2.256 139 A HA 0.609 4.929 4.320 -0.000 0.000 0.318 139 A C -0.501 177.168 177.584 0.142 0.000 1.103 139 A CA -0.455 51.650 52.037 0.114 0.000 0.860 139 A CB 0.626 19.757 19.000 0.217 0.000 1.182 139 A HN -0.024 nan 8.150 nan 0.000 0.501 140 F N 1.111 121.214 119.950 0.256 0.000 2.404 140 F HA 0.429 4.956 4.527 -0.000 0.000 0.339 140 F C -1.589 174.284 175.800 0.122 0.000 1.105 140 F CA -1.823 56.304 58.000 0.212 0.000 1.087 140 F CB 1.322 40.396 39.000 0.123 0.000 1.143 140 F HN 0.330 nan 8.300 nan 0.000 0.491 141 P HA 0.152 nan 4.420 nan 0.000 0.271 141 P C -1.330 175.879 177.300 -0.151 0.000 1.216 141 P CA -0.280 62.519 63.100 -0.503 0.000 0.776 141 P CB 0.955 32.064 31.700 -0.985 0.000 0.881 142 N N 1.524 120.147 118.700 -0.129 0.000 2.701 142 N HA 0.201 4.941 4.740 -0.000 0.000 0.290 142 N C 0.591 176.109 175.510 0.013 0.000 1.338 142 N CA -0.941 52.119 53.050 0.017 0.000 0.799 142 N CB -0.146 38.394 38.487 0.088 0.000 1.491 142 N HN 0.128 nan 8.380 nan 0.000 0.540 143 I N -0.082 120.564 120.570 0.126 0.000 2.423 143 I HA -0.157 4.012 4.170 -0.000 0.000 0.254 143 I C 1.099 177.262 176.117 0.078 0.000 1.151 143 I CA 1.557 62.925 61.300 0.113 0.000 1.421 143 I CB -0.531 37.573 38.000 0.173 0.000 1.079 143 I HN 0.677 nan 8.210 nan 0.000 0.431 144 S N -1.365 114.384 115.700 0.082 0.000 2.614 144 S HA 0.279 4.749 4.470 -0.000 0.000 0.230 144 S C 0.778 175.416 174.600 0.064 0.000 0.952 144 S CA -0.516 57.729 58.200 0.075 0.000 0.949 144 S CB -0.711 62.543 63.200 0.090 0.000 0.786 144 S HN 0.255 nan 8.310 nan 0.000 0.478 145 S N 2.773 118.479 115.700 0.010 0.000 2.576 145 S HA 0.225 4.695 4.470 -0.000 0.000 0.276 145 S C -0.267 174.389 174.600 0.093 0.000 1.339 145 S CA -0.299 57.905 58.200 0.005 0.000 1.039 145 S CB 0.596 63.566 63.200 -0.384 0.000 0.902 145 S HN 0.498 nan 8.310 nan 0.000 0.516 146 D N 1.176 121.721 120.400 0.242 0.000 2.412 146 D HA 0.192 4.832 4.640 -0.000 0.000 0.224 146 D C 0.157 176.627 176.300 0.283 0.000 1.093 146 D CA -0.314 53.810 54.000 0.206 0.000 0.850 146 D CB 0.573 41.480 40.800 0.179 0.000 1.046 146 D HN 0.527 nan 8.370 nan 0.000 0.507 147 E N 1.107 121.432 120.200 0.210 0.000 2.463 147 E HA 0.060 4.410 4.350 -0.000 0.000 0.193 147 E C 0.392 177.185 176.600 0.322 0.000 1.041 147 E CA -0.216 56.366 56.400 0.304 0.000 0.879 147 E CB 0.369 30.246 29.700 0.294 0.000 0.997 147 E HN 0.460 nan 8.360 nan 0.000 0.478 148 S N 0.867 116.680 115.700 0.188 0.000 2.579 148 S HA 0.231 4.701 4.470 -0.000 0.000 0.275 148 S C -0.289 174.471 174.600 0.266 0.000 1.345 148 S CA -0.522 57.758 58.200 0.134 0.000 1.031 148 S CB 0.224 63.437 63.200 0.021 0.000 0.892 148 S HN 0.285 nan 8.310 nan 0.000 0.529 149 Y N -1.824 118.537 120.300 0.101 0.000 2.624 149 Y HA 0.706 5.256 4.550 -0.000 0.000 0.334 149 Y C -0.933 175.012 175.900 0.076 0.000 1.155 149 Y CA -0.815 57.340 58.100 0.091 0.000 1.046 149 Y CB 0.925 39.452 38.460 0.113 0.000 1.316 149 Y HN 0.881 nan 8.280 nan 0.000 0.457 150 T N 1.273 115.935 114.554 0.180 0.000 2.881 150 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 150 T C -1.836 172.980 174.700 0.194 0.000 1.000 150 T CA -0.578 61.577 62.100 0.091 0.000 0.978 150 T CB 1.693 70.585 68.868 0.039 0.000 0.997 150 T HN 0.932 nan 8.240 nan 0.000 0.443 151 L N 3.252 124.590 121.223 0.192 0.000 2.346 151 L HA 0.783 5.123 4.340 -0.000 0.000 0.276 151 L C -1.545 175.402 176.870 0.128 0.000 1.006 151 L CA -1.148 53.806 54.840 0.190 0.000 0.817 151 L CB 1.613 43.840 42.059 0.281 0.000 1.272 151 L HN 0.824 nan 8.230 nan 0.000 0.421 152 L N 5.785 127.072 121.223 0.106 0.000 2.415 152 L HA 0.490 4.829 4.340 -0.000 0.000 0.268 152 L C -1.071 175.864 176.870 0.109 0.000 0.984 152 L CA -0.697 54.196 54.840 0.089 0.000 0.853 152 L CB 1.953 44.046 42.059 0.058 0.000 1.215 152 L HN 0.278 nan 8.230 nan 0.000 0.419 153 V N 3.812 123.803 119.914 0.128 0.000 2.334 153 V HA 0.461 4.581 4.120 -0.000 0.000 0.267 153 V C 0.016 176.167 176.094 0.095 0.000 1.040 153 V CA -0.330 62.061 62.300 0.151 0.000 0.866 153 V CB 0.909 32.828 31.823 0.160 0.000 1.019 153 V HN 0.686 nan 8.190 nan 0.000 0.468 154 K N 3.076 123.530 120.400 0.090 0.000 2.555 154 K HA 0.506 4.826 4.320 -0.000 0.000 0.279 154 K C -0.903 175.736 176.600 0.065 0.000 0.986 154 K CA -0.958 55.365 56.287 0.061 0.000 0.880 154 K CB 2.790 35.319 32.500 0.048 0.000 1.474 154 K HN 0.802 nan 8.250 nan 0.000 0.433 155 E N 1.231 121.460 120.200 0.049 0.000 2.242 155 E HA 0.348 4.698 4.350 -0.000 0.000 0.275 155 E C -2.054 174.573 176.600 0.044 0.000 1.002 155 E CA -1.785 54.646 56.400 0.052 0.000 0.841 155 E CB 1.082 30.807 29.700 0.041 0.000 1.109 155 E HN 0.242 nan 8.360 nan 0.000 0.394 156 P HA 0.172 nan 4.420 nan 0.000 0.266 156 P C -0.739 176.603 177.300 0.071 0.000 1.381 156 P CA -0.139 62.999 63.100 0.062 0.000 0.940 156 P CB 0.409 32.141 31.700 0.054 0.000 1.435 157 V N 0.597 120.546 119.914 0.058 0.000 2.482 157 V HA 0.613 4.733 4.120 -0.000 0.000 0.295 157 V C -0.007 176.116 176.094 0.049 0.000 1.026 157 V CA -1.161 61.166 62.300 0.045 0.000 0.856 157 V CB 1.654 33.485 31.823 0.015 0.000 1.001 157 V HN 0.148 nan 8.190 nan 0.000 0.424 158 A N 4.787 127.645 122.820 0.062 0.000 2.327 158 A HA 0.803 5.123 4.320 -0.000 0.000 0.283 158 A C -0.483 177.082 177.584 -0.031 0.000 1.127 158 A CA -0.369 51.701 52.037 0.054 0.000 0.810 158 A CB 1.011 20.087 19.000 0.127 0.000 1.066 158 A HN 0.733 nan 8.150 nan 0.000 0.492 159 V N 3.277 123.181 119.914 -0.017 0.000 2.409 159 V HA 0.397 4.517 4.120 -0.000 0.000 0.291 159 V C -0.767 175.309 176.094 -0.031 0.000 1.020 159 V CA -0.415 61.863 62.300 -0.035 0.000 0.848 159 V CB 1.251 33.072 31.823 -0.004 0.000 0.990 159 V HN 0.773 nan 8.190 nan 0.000 0.430 160 L N 5.731 126.913 121.223 -0.067 0.000 2.318 160 L HA 0.601 4.941 4.340 -0.000 0.000 0.277 160 L C -0.390 176.488 176.870 0.012 0.000 1.008 160 L CA -0.006 54.817 54.840 -0.028 0.000 0.846 160 L CB 0.947 42.939 42.059 -0.113 0.000 1.220 160 L HN 0.652 nan 8.230 nan 0.000 0.423 161 K N 4.214 124.651 120.400 0.062 0.000 2.292 161 K HA 0.925 5.245 4.320 -0.000 0.000 0.257 161 K C -1.446 175.217 176.600 0.105 0.000 0.940 161 K CA -0.457 55.868 56.287 0.063 0.000 0.811 161 K CB 1.647 34.175 32.500 0.046 0.000 1.120 161 K HN 0.748 nan 8.250 nan 0.000 0.428 162 A N 2.994 125.869 122.820 0.092 0.000 2.587 162 A HA 0.327 4.647 4.320 -0.000 0.000 0.293 162 A C -0.295 177.335 177.584 0.076 0.000 1.087 162 A CA -0.826 51.280 52.037 0.116 0.000 0.692 162 A CB 1.340 20.435 19.000 0.159 0.000 1.291 162 A HN 0.818 nan 8.150 nan 0.000 0.407 163 N N 0.330 119.078 118.700 0.080 0.000 2.080 163 N HA -0.049 4.691 4.740 -0.000 0.000 0.189 163 N C 0.617 176.152 175.510 0.041 0.000 1.036 163 N CA 1.253 54.339 53.050 0.060 0.000 0.846 163 N CB -0.183 38.345 38.487 0.069 0.000 1.015 163 N HN 0.583 nan 8.380 nan 0.000 0.423 164 R N -0.421 120.110 120.500 0.052 0.000 2.944 164 R HA 0.352 4.692 4.340 -0.000 0.000 0.233 164 R C 1.487 177.710 176.300 -0.129 0.000 1.346 164 R CA -0.674 55.406 56.100 -0.034 0.000 1.082 164 R CB -0.337 29.989 30.300 0.043 0.000 1.434 164 R HN -0.181 nan 8.270 nan 0.000 0.510 165 V N 0.006 119.684 119.914 -0.395 0.000 2.719 165 V HA -0.138 3.982 4.120 -0.000 0.000 0.252 165 V C 1.766 177.670 176.094 -0.318 0.000 1.065 165 V CA 1.260 63.302 62.300 -0.430 0.000 1.086 165 V CB -0.431 31.000 31.823 -0.653 0.000 0.700 165 V HN 0.599 nan 8.190 nan 0.000 0.467 166 W N 0.585 121.914 121.300 0.048 0.000 2.363 166 W HA -0.038 4.622 4.660 -0.000 0.000 0.296 166 W C 2.460 179.033 176.519 0.090 0.000 1.212 166 W CA 0.744 58.128 57.345 0.066 0.000 1.260 166 W CB -0.833 28.679 29.460 0.086 0.000 1.131 166 W HN 0.266 nan 8.180 nan 0.000 0.530 167 G N 0.424 109.394 108.800 0.283 0.000 2.422 167 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.218 167 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.218 167 G C 1.665 176.620 174.900 0.092 0.000 1.140 167 G CA 1.029 46.293 45.100 0.272 0.000 0.775 167 G HN 0.300 nan 8.290 nan 0.000 0.545 168 A N 0.598 123.438 122.820 0.035 0.000 1.933 168 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 168 A C 2.402 179.924 177.584 -0.104 0.000 1.175 168 A CA 1.085 53.099 52.037 -0.037 0.000 0.628 168 A CB -0.336 18.655 19.000 -0.015 0.000 0.814 168 A HN 0.356 nan 8.150 nan 0.000 0.444 169 L N -0.965 120.230 121.223 -0.048 0.000 1.994 169 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 169 L C 2.857 179.640 176.870 -0.145 0.000 1.071 169 L CA 1.188 55.997 54.840 -0.051 0.000 0.745 169 L CB -0.518 41.592 42.059 0.085 0.000 0.892 169 L HN 0.277 nan 8.230 nan 0.000 0.431 170 R N 0.265 120.701 120.500 -0.106 0.000 2.105 170 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 170 R C 2.229 178.172 176.300 -0.595 0.000 1.135 170 R CA 1.430 57.397 56.100 -0.221 0.000 0.967 170 R CB -1.343 28.989 30.300 0.053 0.000 0.861 170 R HN 0.448 nan 8.270 nan 0.000 0.442 171 G N 1.049 109.340 108.800 -0.848 0.000 2.402 171 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 171 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 171 G C 1.632 176.281 174.900 -0.417 0.000 1.162 171 G CA 0.177 44.697 45.100 -0.968 0.000 0.777 171 G HN 0.183 nan 8.290 nan 0.000 0.539 172 L N 0.117 121.100 121.223 -0.400 0.000 2.131 172 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 172 L C 2.765 179.287 176.870 -0.579 0.000 1.092 172 L CA 1.358 55.914 54.840 -0.473 0.000 0.759 172 L CB -0.228 41.410 42.059 -0.702 0.000 0.903 172 L HN 0.258 nan 8.230 nan 0.000 0.435 173 E N 0.189 120.085 120.200 -0.507 0.000 2.047 173 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 173 E C 2.006 178.587 176.600 -0.032 0.000 0.987 173 E CA 2.058 58.391 56.400 -0.112 0.000 0.799 173 E CB -0.202 29.499 29.700 0.002 0.000 0.752 173 E HN 0.263 nan 8.360 nan 0.000 0.449 174 T N 0.332 114.829 114.554 -0.094 0.000 2.788 174 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 174 T C 1.497 176.232 174.700 0.057 0.000 1.044 174 T CA 1.278 63.375 62.100 -0.005 0.000 1.139 174 T CB -0.552 68.352 68.868 0.060 0.000 0.867 174 T HN 0.249 nan 8.240 nan 0.000 0.454 175 F N 2.626 122.526 119.950 -0.084 0.000 2.186 175 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 175 F C 2.561 178.336 175.800 -0.041 0.000 1.090 175 F CA 1.413 59.384 58.000 -0.048 0.000 1.307 175 F CB -0.402 38.564 39.000 -0.057 0.000 1.019 175 F HN 0.202 nan 8.300 nan 0.000 0.489 176 S N -0.613 115.096 115.700 0.016 0.000 2.428 176 S HA -0.180 4.290 4.470 -0.000 0.000 0.230 176 S C 1.669 176.216 174.600 -0.089 0.000 1.014 176 S CA 0.917 59.102 58.200 -0.025 0.000 0.957 176 S CB -0.668 62.684 63.200 0.253 0.000 0.784 176 S HN 0.633 nan 8.310 nan 0.000 0.499 177 Q N 0.219 119.989 119.800 -0.051 0.000 2.451 177 Q HA 0.295 4.635 4.340 -0.000 0.000 0.206 177 Q C 1.610 177.578 176.000 -0.054 0.000 0.947 177 Q CA 0.408 56.189 55.803 -0.036 0.000 0.937 177 Q CB -0.166 28.575 28.738 0.005 0.000 1.025 177 Q HN 0.562 nan 8.270 nan 0.000 0.511 178 L N -0.325 120.822 121.223 -0.128 0.000 2.463 178 L HA 0.116 4.456 4.340 -0.000 0.000 0.219 178 L C 0.364 177.171 176.870 -0.104 0.000 1.088 178 L CA -0.054 54.722 54.840 -0.106 0.000 0.849 178 L CB 0.752 42.720 42.059 -0.151 0.000 1.012 178 L HN -0.065 nan 8.230 nan 0.000 0.468 179 V N 0.725 120.482 119.914 -0.262 0.000 2.498 179 V HA 0.155 4.275 4.120 -0.000 0.000 0.279 179 V C -0.375 175.680 176.094 -0.065 0.000 1.048 179 V CA -0.367 61.757 62.300 -0.294 0.000 0.967 179 V CB 0.293 31.805 31.823 -0.518 0.000 0.988 179 V HN 0.210 nan 8.190 nan 0.000 0.473 180 Y N 2.126 122.355 120.300 -0.118 0.000 2.677 180 Y HA 0.748 5.298 4.550 -0.000 0.000 0.334 180 Y C -0.725 175.125 175.900 -0.083 0.000 1.154 180 Y CA -1.542 56.506 58.100 -0.087 0.000 1.070 180 Y CB 1.443 39.847 38.460 -0.093 0.000 1.294 180 Y HN 0.481 nan 8.280 nan 0.000 0.475 181 Q N 1.911 121.720 119.800 0.015 0.000 2.316 181 Q HA 0.281 4.621 4.340 -0.000 0.000 0.264 181 Q C -1.073 174.959 176.000 0.052 0.000 0.987 181 Q CA -1.071 54.630 55.803 -0.170 0.000 0.852 181 Q CB 2.195 30.722 28.738 -0.351 0.000 1.287 181 Q HN 0.782 nan 8.270 nan 0.000 0.448 182 D N 0.451 120.865 120.400 0.023 0.000 2.348 182 D HA 0.018 4.658 4.640 -0.000 0.000 0.272 182 D C 0.530 176.847 176.300 0.027 0.000 1.237 182 D CA -0.402 53.673 54.000 0.126 0.000 1.042 182 D CB 0.199 41.099 40.800 0.165 0.000 1.117 182 D HN 0.296 nan 8.370 nan 0.000 0.548 183 S N -1.779 113.923 115.700 0.002 0.000 2.442 183 S HA -0.138 4.332 4.470 -0.000 0.000 0.236 183 S C 1.097 175.470 174.600 -0.378 0.000 1.007 183 S CA 0.841 58.912 58.200 -0.215 0.000 0.965 183 S CB -0.573 62.427 63.200 -0.334 0.000 0.773 183 S HN 0.461 nan 8.310 nan 0.000 0.504 184 Y N 0.200 120.472 120.300 -0.046 0.000 2.507 184 Y HA 0.400 4.950 4.550 -0.000 0.000 0.254 184 Y C 1.685 177.525 175.900 -0.101 0.000 1.171 184 Y CA -0.081 57.981 58.100 -0.063 0.000 1.238 184 Y CB 0.199 38.624 38.460 -0.058 0.000 1.148 184 Y HN 0.268 nan 8.280 nan 0.000 0.525 185 G N 0.150 108.923 108.800 -0.044 0.000 2.157 185 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 185 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 185 G C 0.158 174.877 174.900 -0.302 0.000 0.979 185 G CA 0.265 45.255 45.100 -0.183 0.000 0.650 185 G HN 0.249 nan 8.290 nan 0.000 0.529 186 T N 1.895 116.356 114.554 -0.153 0.000 2.752 186 T HA 0.448 4.798 4.350 -0.000 0.000 0.295 186 T C 0.419 175.020 174.700 -0.166 0.000 0.923 186 T CA -0.089 61.932 62.100 -0.131 0.000 1.112 186 T CB 0.297 69.112 68.868 -0.088 0.000 0.884 186 T HN 0.210 nan 8.240 nan 0.000 0.525 187 F N 3.159 123.096 119.950 -0.023 0.000 2.571 187 F HA 0.226 4.753 4.527 -0.000 0.000 0.384 187 F C 1.461 177.164 175.800 -0.162 0.000 1.058 187 F CA 0.113 58.047 58.000 -0.110 0.000 1.200 187 F CB -0.017 38.960 39.000 -0.039 0.000 1.077 187 F HN 0.448 nan 8.300 nan 0.000 0.558 188 T N 5.014 119.390 114.554 -0.297 0.000 2.883 188 T HA 0.707 5.057 4.350 -0.000 0.000 0.296 188 T C -1.128 173.135 174.700 -0.729 0.000 1.117 188 T CA -0.720 61.097 62.100 -0.470 0.000 1.006 188 T CB 2.268 70.830 68.868 -0.510 0.000 1.191 188 T HN 0.531 nan 8.240 nan 0.000 0.508 189 I N 1.967 122.265 120.570 -0.453 0.000 2.667 189 I HA 0.317 4.487 4.170 -0.000 0.000 0.288 189 I C -1.539 174.522 176.117 -0.094 0.000 1.267 189 I CA -0.788 60.362 61.300 -0.251 0.000 1.055 189 I CB 1.553 39.391 38.000 -0.271 0.000 1.294 189 I HN 0.488 nan 8.210 nan 0.000 0.429 190 N N 6.428 125.158 118.700 0.050 0.000 2.447 190 N HA 0.039 4.779 4.740 -0.000 0.000 0.263 190 N C -0.543 174.977 175.510 0.016 0.000 1.226 190 N CA 0.063 53.137 53.050 0.039 0.000 0.906 190 N CB 0.547 39.080 38.487 0.076 0.000 1.060 190 N HN 0.591 nan 8.380 nan 0.000 0.468 191 E N 0.741 120.944 120.200 0.006 0.000 2.384 191 E HA 0.302 4.652 4.350 -0.000 0.000 0.266 191 E C -0.593 176.028 176.600 0.036 0.000 1.012 191 E CA -0.373 56.041 56.400 0.024 0.000 0.901 191 E CB 0.433 30.144 29.700 0.018 0.000 0.967 191 E HN 0.561 nan 8.360 nan 0.000 0.435 192 S N 2.249 117.981 115.700 0.053 0.000 2.672 192 S HA 0.540 5.010 4.470 -0.000 0.000 0.271 192 S C -0.872 173.767 174.600 0.065 0.000 1.171 192 S CA -1.073 57.159 58.200 0.054 0.000 0.817 192 S CB 1.717 64.949 63.200 0.054 0.000 1.150 192 S HN 0.494 nan 8.310 nan 0.000 0.478 193 T N 1.079 115.667 114.554 0.057 0.000 2.881 193 T HA 0.649 4.999 4.350 -0.000 0.000 0.291 193 T C -1.361 173.371 174.700 0.053 0.000 0.990 193 T CA -0.198 61.935 62.100 0.056 0.000 0.976 193 T CB 0.575 69.465 68.868 0.038 0.000 0.970 193 T HN 0.518 nan 8.240 nan 0.000 0.438 194 I N 3.691 124.302 120.570 0.069 0.000 2.436 194 I HA 0.526 4.696 4.170 -0.000 0.000 0.289 194 I C -0.568 175.544 176.117 -0.007 0.000 1.010 194 I CA -0.509 60.822 61.300 0.053 0.000 1.098 194 I CB 1.750 39.821 38.000 0.118 0.000 1.266 194 I HN 0.567 nan 8.210 nan 0.000 0.434 195 I N 5.101 125.632 120.570 -0.064 0.000 2.418 195 I HA 0.469 4.639 4.170 -0.000 0.000 0.287 195 I C -1.130 174.858 176.117 -0.215 0.000 1.008 195 I CA -0.385 60.830 61.300 -0.141 0.000 1.104 195 I CB 1.717 39.666 38.000 -0.085 0.000 1.264 195 I HN 0.477 nan 8.210 nan 0.000 0.438 196 D N 4.387 124.529 120.400 -0.430 0.000 2.753 196 D HA 0.672 5.312 4.640 -0.000 0.000 0.224 196 D C -1.302 174.788 176.300 -0.350 0.000 1.213 196 D CA -0.176 53.604 54.000 -0.368 0.000 0.833 196 D CB 2.229 42.824 40.800 -0.343 0.000 1.607 196 D HN 0.524 nan 8.370 nan 0.000 0.463 197 S N 1.752 117.288 115.700 -0.273 0.000 2.535 197 S HA 0.679 5.149 4.470 -0.000 0.000 0.272 197 S C -3.043 171.032 174.600 -0.875 0.000 1.149 197 S CA -1.237 56.714 58.200 -0.415 0.000 0.888 197 S CB 2.142 65.178 63.200 -0.273 0.000 1.110 197 S HN 0.275 nan 8.310 nan 0.000 0.463 198 P HA 0.204 nan 4.420 nan 0.000 0.267 198 P C 0.448 177.329 177.300 -0.698 0.000 1.205 198 P CA -0.315 61.907 63.100 -1.463 0.000 0.765 198 P CB 0.831 31.901 31.700 -1.049 0.000 0.828 199 R N 2.345 122.488 120.500 -0.594 0.000 2.081 199 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 199 R C 0.052 175.980 176.300 -0.619 0.000 1.131 199 R CA 1.244 57.002 56.100 -0.569 0.000 0.960 199 R CB -0.067 29.869 30.300 -0.606 0.000 0.856 199 R HN 0.374 nan 8.270 nan 0.000 0.436 200 F N -1.179 118.734 119.950 -0.062 0.000 2.561 200 F HA 0.225 4.752 4.527 -0.000 0.000 0.321 200 F C 1.220 177.015 175.800 -0.008 0.000 1.065 200 F CA -0.829 57.191 58.000 0.034 0.000 0.934 200 F CB 2.126 41.217 39.000 0.151 0.000 1.215 200 F HN -0.085 nan 8.300 nan 0.000 0.471 201 S N -0.886 114.954 115.700 0.232 0.000 2.503 201 S HA 0.022 4.492 4.470 -0.000 0.000 0.217 201 S C 0.350 175.031 174.600 0.136 0.000 0.999 201 S CA 0.372 58.645 58.200 0.122 0.000 0.914 201 S CB -0.300 62.952 63.200 0.087 0.000 0.782 201 S HN 0.651 nan 8.310 nan 0.000 0.520 202 H N 2.049 121.168 119.070 0.082 0.000 2.691 202 H HA 0.481 5.037 4.556 -0.000 0.000 0.281 202 H C -0.999 174.375 175.328 0.077 0.000 1.121 202 H CA -0.426 55.642 56.048 0.034 0.000 1.254 202 H CB 0.212 29.939 29.762 -0.058 0.000 1.390 202 H HN 0.312 nan 8.280 nan 0.000 0.491 203 R N 3.289 123.794 120.500 0.009 0.000 2.358 203 R HA 0.435 4.775 4.340 -0.000 0.000 0.309 203 R C -0.114 176.353 176.300 0.277 0.000 1.026 203 R CA -0.731 55.444 56.100 0.125 0.000 0.909 203 R CB 1.795 32.095 30.300 0.000 0.000 1.153 203 R HN 0.546 nan 8.270 nan 0.000 0.515 204 G N 2.200 111.183 108.800 0.305 0.000 2.714 204 G HA2 0.667 4.627 3.960 -0.000 0.000 0.292 204 G HA3 0.667 4.627 3.960 -0.000 0.000 0.292 204 G C -0.990 173.925 174.900 0.026 0.000 1.308 204 G CA -0.476 44.740 45.100 0.193 0.000 0.964 204 G HN 0.232 nan 8.290 nan 0.000 0.484 205 I N 0.655 121.126 120.570 -0.165 0.000 2.498 205 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 205 I C -0.623 175.339 176.117 -0.259 0.000 1.032 205 I CA -0.588 60.507 61.300 -0.343 0.000 1.073 205 I CB 1.598 39.286 38.000 -0.519 0.000 1.251 205 I HN 0.385 nan 8.210 nan 0.000 0.426 206 L N 7.867 128.871 121.223 -0.365 0.000 2.275 206 L HA 0.620 4.960 4.340 -0.000 0.000 0.288 206 L C -0.501 176.071 176.870 -0.496 0.000 1.046 206 L CA -0.461 54.103 54.840 -0.460 0.000 0.805 206 L CB 0.947 42.523 42.059 -0.804 0.000 1.193 206 L HN 0.572 nan 8.230 nan 0.000 0.426 207 I N 1.058 121.408 120.570 -0.366 0.000 2.474 207 I HA 0.499 4.669 4.170 -0.000 0.000 0.294 207 I C -1.237 174.758 176.117 -0.203 0.000 1.005 207 I CA -0.727 60.379 61.300 -0.324 0.000 1.113 207 I CB 1.928 39.732 38.000 -0.327 0.000 1.289 207 I HN 0.450 nan 8.210 nan 0.000 0.436 208 D N 4.544 124.854 120.400 -0.151 0.000 2.454 208 D HA 0.205 4.845 4.640 -0.000 0.000 0.225 208 D C 0.719 177.111 176.300 0.154 0.000 1.081 208 D CA -0.366 53.656 54.000 0.036 0.000 0.864 208 D CB 1.507 42.327 40.800 0.034 0.000 1.040 208 D HN 0.763 nan 8.370 nan 0.000 0.517 209 T N -0.260 114.449 114.554 0.258 0.000 3.163 209 T HA 0.089 4.439 4.350 -0.000 0.000 0.252 209 T C 1.279 176.225 174.700 0.409 0.000 1.056 209 T CA 0.022 62.327 62.100 0.341 0.000 0.947 209 T CB 0.332 69.484 68.868 0.475 0.000 1.016 209 T HN 0.136 nan 8.240 nan 0.000 0.554 210 S N 0.741 116.642 115.700 0.335 0.000 2.510 210 S HA 0.179 4.649 4.470 -0.000 0.000 0.230 210 S C 2.025 176.778 174.600 0.255 0.000 1.066 210 S CA -0.177 58.185 58.200 0.270 0.000 0.941 210 S CB -0.055 63.282 63.200 0.229 0.000 0.829 210 S HN 0.305 nan 8.310 nan 0.000 0.530 211 R N 0.472 121.106 120.500 0.224 0.000 2.189 211 R HA 0.225 4.565 4.340 -0.000 0.000 0.223 211 R C -0.166 176.111 176.300 -0.039 0.000 1.092 211 R CA 1.002 57.169 56.100 0.111 0.000 0.989 211 R CB -0.248 30.104 30.300 0.088 0.000 0.876 211 R HN 0.527 nan 8.270 nan 0.000 0.457 212 H N -2.750 116.500 119.070 0.301 0.000 3.042 212 H HA 0.150 4.706 4.556 -0.000 0.000 0.345 212 H C -1.687 173.847 175.328 0.342 0.000 1.052 212 H CA -0.901 55.310 56.048 0.272 0.000 1.311 212 H CB 0.988 30.829 29.762 0.131 0.000 1.810 212 H HN -0.028 nan 8.280 nan 0.000 0.505 213 Y N 3.935 124.483 120.300 0.413 0.000 2.442 213 Y HA 0.270 4.820 4.550 -0.000 0.000 0.330 213 Y C -0.912 175.133 175.900 0.242 0.000 1.129 213 Y CA -0.125 58.189 58.100 0.357 0.000 1.365 213 Y CB 0.382 39.088 38.460 0.410 0.000 1.233 213 Y HN 0.469 nan 8.280 nan 0.000 0.529 214 L N 9.470 130.483 121.223 -0.351 0.000 2.298 214 L HA 0.427 4.767 4.340 -0.000 0.000 0.284 214 L C -2.303 174.293 176.870 -0.458 0.000 1.013 214 L CA -2.314 52.369 54.840 -0.262 0.000 0.824 214 L CB 1.408 43.394 42.059 -0.122 0.000 1.221 214 L HN 0.560 nan 8.230 nan 0.000 0.418 215 P HA -0.013 nan 4.420 nan 0.000 0.267 215 P C 1.076 178.332 177.300 -0.073 0.000 1.200 215 P CA -0.255 62.775 63.100 -0.117 0.000 0.772 215 P CB 0.854 32.540 31.700 -0.023 0.000 0.855 216 V N 3.152 123.070 119.914 0.007 0.000 2.380 216 V HA -0.296 3.824 4.120 -0.000 0.000 0.251 216 V C 2.137 178.170 176.094 -0.101 0.000 1.063 216 V CA 1.855 64.150 62.300 -0.009 0.000 1.055 216 V CB -1.064 30.788 31.823 0.047 0.000 0.657 216 V HN 0.640 nan 8.190 nan 0.000 0.455 217 K N -0.280 120.071 120.400 -0.081 0.000 2.044 217 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 217 K C 2.151 178.686 176.600 -0.109 0.000 1.049 217 K CA 2.073 58.300 56.287 -0.100 0.000 0.927 217 K CB -0.378 32.087 32.500 -0.057 0.000 0.713 217 K HN 0.429 nan 8.250 nan 0.000 0.443 218 I N 1.041 121.557 120.570 -0.091 0.000 2.493 218 I HA -0.215 3.955 4.170 -0.000 0.000 0.254 218 I C 1.884 177.932 176.117 -0.114 0.000 1.160 218 I CA 0.922 62.174 61.300 -0.080 0.000 1.445 218 I CB 0.122 38.084 38.000 -0.064 0.000 1.086 218 I HN 0.155 nan 8.210 nan 0.000 0.433 219 I N 0.287 120.751 120.570 -0.177 0.000 2.353 219 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 219 I C 2.220 178.211 176.117 -0.209 0.000 1.119 219 I CA 1.101 62.252 61.300 -0.250 0.000 1.417 219 I CB -0.239 37.526 38.000 -0.393 0.000 1.078 219 I HN 0.213 nan 8.210 nan 0.000 0.421 220 L N 0.415 121.489 121.223 -0.248 0.000 2.109 220 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 220 L C 2.485 179.286 176.870 -0.115 0.000 1.086 220 L CA 1.270 55.896 54.840 -0.357 0.000 0.760 220 L CB -0.560 41.047 42.059 -0.753 0.000 0.910 220 L HN 0.172 nan 8.230 nan 0.000 0.437 221 K N -0.323 120.026 120.400 -0.084 0.000 2.097 221 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 221 K C 2.078 178.677 176.600 -0.003 0.000 1.050 221 K CA 1.624 57.906 56.287 -0.010 0.000 0.938 221 K CB -0.154 32.345 32.500 -0.002 0.000 0.718 221 K HN 0.265 nan 8.250 nan 0.000 0.442 222 T N 2.032 116.592 114.554 0.009 0.000 2.788 222 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 222 T C 1.838 176.556 174.700 0.030 0.000 1.044 222 T CA 0.953 63.105 62.100 0.086 0.000 1.139 222 T CB -0.126 68.756 68.868 0.023 0.000 0.867 222 T HN 0.114 nan 8.240 nan 0.000 0.454 223 L N 0.793 122.017 121.223 0.002 0.000 2.046 223 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 223 L C 2.536 179.341 176.870 -0.107 0.000 1.077 223 L CA 1.153 56.003 54.840 0.017 0.000 0.747 223 L CB -0.536 41.622 42.059 0.164 0.000 0.896 223 L HN 0.144 nan 8.230 nan 0.000 0.432 224 D N 0.197 120.517 120.400 -0.133 0.000 2.117 224 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 224 D C 2.224 177.941 176.300 -0.971 0.000 0.987 224 D CA 1.534 55.241 54.000 -0.488 0.000 0.829 224 D CB -0.006 40.672 40.800 -0.203 0.000 0.961 224 D HN 0.305 nan 8.370 nan 0.000 0.460 225 A N 0.446 122.946 122.820 -0.534 0.000 1.933 225 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 225 A C 2.242 179.438 177.584 -0.647 0.000 1.175 225 A CA 1.171 52.809 52.037 -0.666 0.000 0.628 225 A CB -0.503 17.888 19.000 -1.014 0.000 0.814 225 A HN 0.165 nan 8.150 nan 0.000 0.444 226 M N -0.680 118.737 119.600 -0.304 0.000 2.229 226 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 226 M C 2.423 178.727 176.300 0.007 0.000 1.063 226 M CA 1.160 56.480 55.300 0.033 0.000 1.114 226 M CB -0.270 32.396 32.600 0.109 0.000 1.387 226 M HN 0.487 nan 8.290 nan 0.000 0.420 227 A N 0.138 122.805 122.820 -0.255 0.000 1.897 227 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 227 A C 1.696 179.183 177.584 -0.161 0.000 1.181 227 A CA 1.293 53.186 52.037 -0.240 0.000 0.620 227 A CB -0.776 17.990 19.000 -0.388 0.000 0.821 227 A HN 0.409 nan 8.150 nan 0.000 0.443 228 F N 0.624 120.519 119.950 -0.093 0.000 2.234 228 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 228 F C 1.833 177.649 175.800 0.026 0.000 1.087 228 F CA 0.784 58.736 58.000 -0.080 0.000 1.340 228 F CB -0.529 38.355 39.000 -0.193 0.000 1.031 228 F HN 0.229 nan 8.300 nan 0.000 0.500 229 N N 0.361 119.177 118.700 0.193 0.000 2.270 229 N HA -0.011 4.729 4.740 -0.000 0.000 0.198 229 N C 0.027 175.575 175.510 0.063 0.000 1.117 229 N CA 0.171 53.378 53.050 0.261 0.000 0.845 229 N CB 0.088 38.878 38.487 0.504 0.000 0.980 229 N HN 0.214 nan 8.380 nan 0.000 0.486 230 K N 0.198 120.589 120.400 -0.015 0.000 3.117 230 K HA -0.171 4.149 4.320 -0.000 0.000 0.269 230 K C -0.858 175.710 176.600 -0.055 0.000 1.098 230 K CA 0.449 56.654 56.287 -0.137 0.000 0.785 230 K CB -1.727 30.453 32.500 -0.535 0.000 1.242 230 K HN 0.108 nan 8.250 nan 0.000 0.491 231 F N 1.123 121.115 119.950 0.071 0.000 2.371 231 F HA 0.157 4.684 4.527 -0.000 0.000 0.329 231 F C 1.591 177.419 175.800 0.047 0.000 1.107 231 F CA -0.149 57.902 58.000 0.086 0.000 1.137 231 F CB 0.719 39.780 39.000 0.101 0.000 1.214 231 F HN 0.172 nan 8.300 nan 0.000 0.536 232 N N -0.465 118.352 118.700 0.196 0.000 2.143 232 N HA 0.163 4.903 4.740 -0.000 0.000 0.222 232 N C -1.249 174.255 175.510 -0.011 0.000 1.264 232 N CA 0.163 53.255 53.050 0.069 0.000 0.897 232 N CB 0.412 38.916 38.487 0.029 0.000 1.092 232 N HN 0.174 nan 8.380 nan 0.000 0.516 233 V N 1.394 121.301 119.914 -0.011 0.000 2.623 233 V HA 0.420 4.539 4.120 -0.000 0.000 0.304 233 V C -1.298 174.788 176.094 -0.013 0.000 1.054 233 V CA -0.888 61.359 62.300 -0.088 0.000 0.882 233 V CB 2.285 33.883 31.823 -0.374 0.000 1.002 233 V HN 0.129 nan 8.190 nan 0.000 0.424 234 L N 4.647 125.876 121.223 0.010 0.000 2.335 234 L HA 0.487 4.827 4.340 -0.000 0.000 0.268 234 L C 0.089 176.992 176.870 0.055 0.000 1.037 234 L CA -0.147 54.697 54.840 0.007 0.000 0.895 234 L CB 0.268 42.325 42.059 -0.003 0.000 1.266 234 L HN 0.768 nan 8.230 nan 0.000 0.439 235 H N 4.556 123.590 119.070 -0.060 0.000 3.362 235 H HA -0.001 4.555 4.556 -0.000 0.000 0.248 235 H C -0.822 174.481 175.328 -0.040 0.000 1.276 235 H CA -0.137 55.875 56.048 -0.060 0.000 1.520 235 H CB 0.227 29.923 29.762 -0.110 0.000 1.624 235 H HN 0.663 nan 8.280 nan 0.000 0.502 236 W N 7.940 129.198 121.300 -0.069 0.000 2.422 236 W HA 0.059 4.719 4.660 -0.000 0.000 0.349 236 W C -0.481 175.956 176.519 -0.136 0.000 1.062 236 W CA -0.697 56.574 57.345 -0.123 0.000 1.497 236 W CB -0.530 28.814 29.460 -0.194 0.000 1.407 236 W HN 0.651 nan 8.180 nan 0.000 0.393 237 H N 6.974 126.196 119.070 0.254 0.000 3.045 237 H HA 0.022 4.578 4.556 -0.000 0.000 0.254 237 H C 1.322 176.702 175.328 0.087 0.000 1.747 237 H CA 0.339 56.437 56.048 0.084 0.000 1.444 237 H CB 0.028 29.782 29.762 -0.014 0.000 1.778 237 H HN 0.594 nan 8.280 nan 0.000 0.544 238 I N 3.628 124.029 120.570 -0.280 0.000 2.202 238 I HA -0.164 4.006 4.170 -0.000 0.000 0.242 238 I C 0.391 176.376 176.117 -0.221 0.000 1.091 238 I CA 0.810 61.892 61.300 -0.363 0.000 1.368 238 I CB 0.433 37.753 38.000 -1.134 0.000 1.058 238 I HN 0.272 nan 8.210 nan 0.000 0.410 239 V N -1.978 117.697 119.914 -0.398 0.000 3.019 239 V HA 0.639 4.759 4.120 -0.000 0.000 0.317 239 V C -0.681 175.449 176.094 0.060 0.000 1.094 239 V CA -0.675 61.487 62.300 -0.229 0.000 1.000 239 V CB 1.814 33.291 31.823 -0.577 0.000 1.060 239 V HN 0.238 nan 8.190 nan 0.000 0.443 240 D N -0.546 119.996 120.400 0.237 0.000 3.010 240 D HA 0.137 4.777 4.640 -0.000 0.000 0.353 240 D C 0.038 176.522 176.300 0.307 0.000 1.415 240 D CA -0.078 54.132 54.000 0.350 0.000 0.864 240 D CB 1.705 42.741 40.800 0.394 0.000 1.445 240 D HN 0.553 nan 8.370 nan 0.000 0.516 241 D N -0.088 120.459 120.400 0.244 0.000 2.092 241 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 241 D C 1.687 178.031 176.300 0.072 0.000 0.994 241 D CA 1.673 55.754 54.000 0.136 0.000 0.828 241 D CB 0.095 40.927 40.800 0.053 0.000 0.963 241 D HN 0.244 nan 8.370 nan 0.000 0.450 242 Q N 0.223 120.047 119.800 0.041 0.000 2.096 242 Q HA -0.046 4.294 4.340 -0.000 0.000 0.204 242 Q C 0.743 176.582 176.000 -0.268 0.000 0.982 242 Q CA 0.852 56.623 55.803 -0.053 0.000 0.850 242 Q CB 0.059 28.807 28.738 0.017 0.000 0.901 242 Q HN 0.315 nan 8.270 nan 0.000 0.422 243 S N -2.387 113.177 115.700 -0.227 0.000 2.615 243 S HA 0.576 5.046 4.470 -0.000 0.000 0.269 243 S C -1.522 173.076 174.600 -0.004 0.000 1.161 243 S CA -1.016 56.993 58.200 -0.318 0.000 0.817 243 S CB 0.732 63.404 63.200 -0.880 0.000 1.131 243 S HN 0.079 nan 8.310 nan 0.000 0.467 244 F N 2.838 122.721 119.950 -0.111 0.000 2.691 244 F HA 0.548 5.075 4.527 -0.000 0.000 0.371 244 F C -2.268 173.563 175.800 0.051 0.000 1.159 244 F CA -1.982 55.994 58.000 -0.040 0.000 1.174 244 F CB 2.247 41.158 39.000 -0.148 0.000 1.419 244 F HN 0.432 nan 8.300 nan 0.000 0.514 245 P HA -0.092 nan 4.420 nan 0.000 0.240 245 P C -0.015 177.506 177.300 0.369 0.000 1.190 245 P CA 0.546 63.826 63.100 0.301 0.000 0.781 245 P CB -0.126 31.869 31.700 0.492 0.000 0.931 246 Y N 2.472 122.850 120.300 0.130 0.000 2.537 246 Y HA 0.136 4.686 4.550 -0.000 0.000 0.339 246 Y C 0.732 176.827 175.900 0.326 0.000 1.066 246 Y CA -0.391 57.818 58.100 0.181 0.000 1.357 246 Y CB 0.128 38.600 38.460 0.019 0.000 1.175 246 Y HN -0.112 nan 8.280 nan 0.000 0.525 247 Q N 5.366 124.946 119.800 -0.366 0.000 2.323 247 Q HA 0.212 4.552 4.340 -0.000 0.000 0.257 247 Q C -0.600 175.036 176.000 -0.607 0.000 1.022 247 Q CA -0.291 55.330 55.803 -0.304 0.000 0.919 247 Q CB 0.575 29.213 28.738 -0.166 0.000 1.220 247 Q HN 0.736 nan 8.270 nan 0.000 0.427 248 S N 3.907 119.487 115.700 -0.199 0.000 2.562 248 S HA 0.285 4.755 4.470 -0.000 0.000 0.275 248 S C 1.059 175.640 174.600 -0.031 0.000 1.281 248 S CA -0.580 57.606 58.200 -0.023 0.000 1.045 248 S CB 0.590 64.003 63.200 0.355 0.000 0.962 248 S HN 0.785 nan 8.310 nan 0.000 0.503 249 I N 3.433 123.973 120.570 -0.050 0.000 2.333 249 I HA -0.086 4.084 4.170 -0.000 0.000 0.246 249 I C 2.278 178.342 176.117 -0.089 0.000 1.106 249 I CA 0.922 62.181 61.300 -0.069 0.000 1.411 249 I CB -0.557 37.397 38.000 -0.076 0.000 1.082 249 I HN 0.614 nan 8.210 nan 0.000 0.420 250 T N 0.581 115.068 114.554 -0.112 0.000 2.812 250 T HA -0.038 4.311 4.350 -0.000 0.000 0.264 250 T C 0.353 174.741 174.700 -0.521 0.000 1.042 250 T CA 1.191 63.090 62.100 -0.335 0.000 1.140 250 T CB -0.200 68.425 68.868 -0.404 0.000 0.870 250 T HN 0.035 nan 8.240 nan 0.000 0.445 251 F N 1.856 121.859 119.950 0.088 0.000 2.451 251 F HA 0.347 4.874 4.527 -0.000 0.000 0.367 251 F C -1.911 173.912 175.800 0.039 0.000 1.100 251 F CA -2.597 55.463 58.000 0.100 0.000 1.171 251 F CB 1.582 40.715 39.000 0.222 0.000 1.405 251 F HN -0.059 nan 8.300 nan 0.000 0.482 252 P HA -0.100 nan 4.420 nan 0.000 0.233 252 P C 0.910 178.225 177.300 0.026 0.000 1.167 252 P CA 1.052 64.177 63.100 0.042 0.000 0.770 252 P CB 0.484 32.185 31.700 0.002 0.000 0.837 253 E N -0.043 120.180 120.200 0.038 0.000 2.285 253 E HA 0.012 4.362 4.350 -0.000 0.000 0.194 253 E C 2.137 178.672 176.600 -0.109 0.000 0.997 253 E CA 0.372 56.759 56.400 -0.022 0.000 0.845 253 E CB -0.556 29.138 29.700 -0.011 0.000 0.782 253 E HN 0.366 nan 8.360 nan 0.000 0.491 254 L N 1.074 122.199 121.223 -0.163 0.000 2.017 254 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 254 L C 2.554 179.203 176.870 -0.368 0.000 1.073 254 L CA 1.787 56.330 54.840 -0.496 0.000 0.745 254 L CB -0.509 41.069 42.059 -0.802 0.000 0.894 254 L HN 0.148 nan 8.230 nan 0.000 0.432 255 S N -1.431 114.230 115.700 -0.066 0.000 2.439 255 S HA -0.029 4.441 4.470 -0.000 0.000 0.224 255 S C 1.724 176.336 174.600 0.019 0.000 1.029 255 S CA 0.372 58.630 58.200 0.096 0.000 0.946 255 S CB -0.366 62.928 63.200 0.157 0.000 0.797 255 S HN 0.324 nan 8.310 nan 0.000 0.504 256 N N 1.944 120.635 118.700 -0.015 0.000 2.289 256 N HA 0.035 4.775 4.740 -0.000 0.000 0.184 256 N C 1.208 176.698 175.510 -0.033 0.000 1.016 256 N CA 1.147 54.185 53.050 -0.020 0.000 0.872 256 N CB -0.164 38.310 38.487 -0.022 0.000 0.973 256 N HN 0.400 nan 8.380 nan 0.000 0.433 257 K N -1.528 118.837 120.400 -0.058 0.000 2.412 257 K HA 0.308 4.628 4.320 -0.000 0.000 0.202 257 K C 1.434 177.989 176.600 -0.076 0.000 1.102 257 K CA 0.148 56.395 56.287 -0.067 0.000 1.027 257 K CB 0.616 33.065 32.500 -0.084 0.000 0.931 257 K HN 0.087 nan 8.250 nan 0.000 0.557 258 G N 0.066 108.817 108.800 -0.080 0.000 3.020 258 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.217 258 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.217 258 G C 0.225 175.120 174.900 -0.007 0.000 1.144 258 G CA -0.017 45.048 45.100 -0.059 0.000 0.760 258 G HN 0.260 nan 8.290 nan 0.000 0.548 259 S N -0.843 114.860 115.700 0.005 0.000 2.632 259 S HA 0.385 4.855 4.470 -0.000 0.000 0.271 259 S C 0.939 175.504 174.600 -0.058 0.000 1.260 259 S CA -0.654 57.537 58.200 -0.014 0.000 1.010 259 S CB 1.120 64.348 63.200 0.048 0.000 0.965 259 S HN 0.126 nan 8.310 nan 0.000 0.534 260 Y N 1.866 122.138 120.300 -0.046 0.000 2.102 260 Y HA -0.061 4.489 4.550 -0.000 0.000 0.280 260 Y C 1.760 177.551 175.900 -0.181 0.000 1.178 260 Y CA 1.512 59.521 58.100 -0.152 0.000 1.146 260 Y CB -0.605 37.676 38.460 -0.298 0.000 0.968 260 Y HN 0.997 nan 8.280 nan 0.000 0.504 261 S N -3.070 112.624 115.700 -0.010 0.000 2.643 261 S HA 0.317 4.787 4.470 -0.000 0.000 0.270 261 S C -0.048 174.557 174.600 0.008 0.000 1.166 261 S CA -0.794 57.397 58.200 -0.015 0.000 0.815 261 S CB 0.745 63.925 63.200 -0.033 0.000 1.139 261 S HN -0.072 nan 8.310 nan 0.000 0.472 262 L N 2.043 123.268 121.223 0.002 0.000 2.275 262 L HA 0.049 4.389 4.340 -0.000 0.000 0.215 262 L C 2.786 179.635 176.870 -0.036 0.000 1.119 262 L CA 1.997 56.830 54.840 -0.012 0.000 0.790 262 L CB -0.761 41.291 42.059 -0.011 0.000 0.919 262 L HN 0.930 nan 8.230 nan 0.000 0.443 263 S N -2.316 113.370 115.700 -0.023 0.000 2.446 263 S HA -0.074 4.396 4.470 -0.000 0.000 0.225 263 S C 1.237 175.641 174.600 -0.328 0.000 1.016 263 S CA 0.300 58.440 58.200 -0.099 0.000 0.943 263 S CB -0.559 62.608 63.200 -0.054 0.000 0.786 263 S HN 0.477 nan 8.310 nan 0.000 0.508 264 H N 1.207 119.978 119.070 -0.498 0.000 2.768 264 H HA 0.518 5.073 4.556 -0.000 0.000 0.228 264 H C -0.902 173.954 175.328 -0.787 0.000 1.812 264 H CA -0.127 55.246 56.048 -1.126 0.000 1.273 264 H CB -0.167 29.195 29.762 -0.667 0.000 1.631 264 H HN 0.179 nan 8.280 nan 0.000 0.526 265 V N 1.642 121.290 119.914 -0.442 0.000 2.841 265 V HA 0.148 4.268 4.120 -0.000 0.000 0.310 265 V C -0.844 175.225 176.094 -0.041 0.000 1.090 265 V CA -0.896 61.337 62.300 -0.111 0.000 0.930 265 V CB 2.295 34.100 31.823 -0.029 0.000 1.014 265 V HN 0.381 nan 8.190 nan 0.000 0.425 266 Y N 2.453 122.918 120.300 0.275 0.000 2.518 266 Y HA 0.415 4.965 4.550 -0.000 0.000 0.344 266 Y C 1.268 177.206 175.900 0.065 0.000 0.982 266 Y CA -0.612 57.629 58.100 0.235 0.000 1.234 266 Y CB 1.140 39.792 38.460 0.320 0.000 1.114 266 Y HN 0.746 nan 8.280 nan 0.000 0.515 267 T N 0.547 115.200 114.554 0.165 0.000 2.860 267 T HA 0.122 4.472 4.350 -0.000 0.000 0.299 267 T C -1.778 172.941 174.700 0.031 0.000 1.045 267 T CA -1.832 60.295 62.100 0.045 0.000 1.071 267 T CB 1.272 70.162 68.868 0.036 0.000 0.985 267 T HN 0.260 nan 8.240 nan 0.000 0.537 268 P HA -0.178 nan 4.420 nan 0.000 0.217 268 P C 1.486 178.787 177.300 0.001 0.000 1.158 268 P CA 1.319 64.391 63.100 -0.048 0.000 0.887 268 P CB -0.071 31.592 31.700 -0.061 0.000 0.792 269 N N -1.005 117.708 118.700 0.022 0.000 2.166 269 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 269 N C 1.275 176.832 175.510 0.079 0.000 1.019 269 N CA 1.419 54.494 53.050 0.042 0.000 0.856 269 N CB -0.675 37.834 38.487 0.037 0.000 0.993 269 N HN -0.026 nan 8.380 nan 0.000 0.426 270 D N -0.564 119.908 120.400 0.119 0.000 2.117 270 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 270 D C 1.970 178.398 176.300 0.214 0.000 0.987 270 D CA 0.811 54.923 54.000 0.188 0.000 0.829 270 D CB -0.288 40.694 40.800 0.303 0.000 0.961 270 D HN 0.122 nan 8.370 nan 0.000 0.460 271 V N 0.884 120.913 119.914 0.191 0.000 2.358 271 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 271 V C 2.549 178.698 176.094 0.093 0.000 1.047 271 V CA 1.484 63.885 62.300 0.167 0.000 1.035 271 V CB -0.462 31.353 31.823 -0.013 0.000 0.658 271 V HN 0.121 nan 8.190 nan 0.000 0.452 272 R N -0.038 120.487 120.500 0.042 0.000 2.105 272 R HA -0.208 4.132 4.340 -0.000 0.000 0.239 272 R C 2.310 178.675 176.300 0.109 0.000 1.135 272 R CA 2.196 58.325 56.100 0.048 0.000 0.967 272 R CB -0.298 30.022 30.300 0.034 0.000 0.861 272 R HN 0.528 nan 8.270 nan 0.000 0.442 273 M N 0.097 119.764 119.600 0.112 0.000 2.175 273 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 273 M C 1.743 178.130 176.300 0.145 0.000 1.063 273 M CA 1.382 56.754 55.300 0.119 0.000 1.119 273 M CB 0.216 32.864 32.600 0.081 0.000 1.377 273 M HN 0.082 nan 8.290 nan 0.000 0.415 274 V N 0.861 120.862 119.914 0.145 0.000 2.343 274 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 274 V C 2.249 178.477 176.094 0.224 0.000 1.051 274 V CA 1.881 64.267 62.300 0.144 0.000 1.036 274 V CB -0.661 31.254 31.823 0.154 0.000 0.654 274 V HN 0.517 nan 8.190 nan 0.000 0.451 275 I N -0.476 120.239 120.570 0.241 0.000 2.202 275 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 275 I C 2.600 178.906 176.117 0.315 0.000 1.091 275 I CA 1.324 62.790 61.300 0.278 0.000 1.368 275 I CB -0.461 37.673 38.000 0.223 0.000 1.058 275 I HN 0.258 nan 8.210 nan 0.000 0.410 276 E N 0.059 120.425 120.200 0.277 0.000 2.204 276 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 276 E C 1.917 178.628 176.600 0.186 0.000 0.989 276 E CA 1.092 57.626 56.400 0.224 0.000 0.824 276 E CB -0.180 29.627 29.700 0.178 0.000 0.756 276 E HN 0.547 nan 8.360 nan 0.000 0.477 277 Y N 0.808 121.160 120.300 0.087 0.000 2.263 277 Y HA -0.075 4.475 4.550 -0.000 0.000 0.292 277 Y C 2.202 178.134 175.900 0.053 0.000 1.130 277 Y CA 1.303 59.434 58.100 0.053 0.000 1.179 277 Y CB -0.020 38.461 38.460 0.034 0.000 0.998 277 Y HN 0.010 nan 8.280 nan 0.000 0.532 278 A N 0.228 123.181 122.820 0.222 0.000 1.929 278 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 278 A C 2.313 179.964 177.584 0.112 0.000 1.176 278 A CA 1.321 53.447 52.037 0.149 0.000 0.628 278 A CB -0.650 18.456 19.000 0.178 0.000 0.816 278 A HN 0.461 nan 8.150 nan 0.000 0.444 279 R N -0.134 120.454 120.500 0.147 0.000 2.081 279 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 279 R C 1.657 178.020 176.300 0.105 0.000 1.131 279 R CA 1.472 57.649 56.100 0.128 0.000 0.960 279 R CB -0.435 29.870 30.300 0.009 0.000 0.856 279 R HN 0.511 nan 8.270 nan 0.000 0.436 280 L N 0.141 121.370 121.223 0.011 0.000 2.549 280 L HA -0.112 4.228 4.340 -0.000 0.000 0.230 280 L C 1.613 178.474 176.870 -0.015 0.000 1.162 280 L CA 1.113 55.930 54.840 -0.038 0.000 0.834 280 L CB -0.085 41.902 42.059 -0.120 0.000 0.947 280 L HN 0.195 nan 8.230 nan 0.000 0.452 281 R N -1.150 119.361 120.500 0.019 0.000 2.531 281 R HA 0.224 4.564 4.340 -0.000 0.000 0.316 281 R C 1.046 177.418 176.300 0.120 0.000 0.955 281 R CA 0.476 56.596 56.100 0.034 0.000 1.120 281 R CB 1.041 31.300 30.300 -0.069 0.000 1.361 281 R HN 0.198 nan 8.270 nan 0.000 0.534 282 G N 1.653 110.573 108.800 0.199 0.000 2.147 282 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 282 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 282 G C -0.194 174.715 174.900 0.016 0.000 1.005 282 G CA -0.128 45.077 45.100 0.175 0.000 0.713 282 G HN 0.121 nan 8.290 nan 0.000 0.515 283 I N 0.590 121.188 120.570 0.047 0.000 2.359 283 I HA 0.479 4.649 4.170 -0.000 0.000 0.294 283 I C 0.900 177.050 176.117 0.055 0.000 0.987 283 I CA -0.780 60.544 61.300 0.042 0.000 1.225 283 I CB 1.317 39.355 38.000 0.064 0.000 1.366 283 I HN 0.129 nan 8.210 nan 0.000 0.466 284 R N 4.362 124.876 120.500 0.024 0.000 2.410 284 R HA 0.546 4.886 4.340 -0.000 0.000 0.288 284 R C -0.952 175.408 176.300 0.099 0.000 1.051 284 R CA -0.696 55.441 56.100 0.063 0.000 1.021 284 R CB 1.050 31.361 30.300 0.018 0.000 1.032 284 R HN 0.320 nan 8.270 nan 0.000 0.481 285 V N 5.087 125.099 119.914 0.164 0.000 2.288 285 V HA 0.125 4.245 4.120 -0.000 0.000 0.266 285 V C -0.518 175.665 176.094 0.147 0.000 1.048 285 V CA -0.569 61.858 62.300 0.211 0.000 0.842 285 V CB 0.843 32.884 31.823 0.362 0.000 1.064 285 V HN 0.454 nan 8.190 nan 0.000 0.472 286 L N 9.839 131.091 121.223 0.047 0.000 2.268 286 L HA 0.578 4.918 4.340 -0.000 0.000 0.289 286 L C -2.144 174.584 176.870 -0.236 0.000 1.064 286 L CA -1.561 53.233 54.840 -0.078 0.000 0.824 286 L CB 1.040 43.044 42.059 -0.091 0.000 1.202 286 L HN 0.336 nan 8.230 nan 0.000 0.433 287 P HA 0.203 nan 4.420 nan 0.000 0.282 287 P C -1.319 175.705 177.300 -0.459 0.000 1.249 287 P CA -0.381 62.275 63.100 -0.739 0.000 0.806 287 P CB 1.174 31.972 31.700 -1.504 0.000 0.984 288 E N 2.195 122.062 120.200 -0.555 0.000 2.241 288 E HA 0.382 4.732 4.350 -0.000 0.000 0.263 288 E C -1.661 174.645 176.600 -0.489 0.000 0.882 288 E CA -0.598 55.623 56.400 -0.299 0.000 0.769 288 E CB 0.835 30.411 29.700 -0.207 0.000 1.185 288 E HN 0.249 nan 8.360 nan 0.000 0.415 289 F N 3.225 123.227 119.950 0.086 0.000 2.366 289 F HA 0.188 4.715 4.527 -0.000 0.000 0.357 289 F C 0.237 176.225 175.800 0.313 0.000 1.107 289 F CA -0.934 57.225 58.000 0.265 0.000 1.208 289 F CB 0.804 40.077 39.000 0.456 0.000 1.464 289 F HN 0.383 nan 8.300 nan 0.000 0.501 290 D N 2.733 123.302 120.400 0.283 0.000 2.531 290 D HA 0.112 4.752 4.640 -0.000 0.000 0.239 290 D C 0.027 176.402 176.300 0.124 0.000 1.144 290 D CA 0.839 55.000 54.000 0.269 0.000 0.869 290 D CB 0.781 41.732 40.800 0.253 0.000 1.160 290 D HN 0.523 nan 8.370 nan 0.000 0.484 291 T N 1.087 115.741 114.554 0.167 0.000 2.923 291 T HA 0.501 4.851 4.350 -0.000 0.000 0.311 291 T C -2.443 172.391 174.700 0.223 0.000 1.183 291 T CA -1.254 60.891 62.100 0.075 0.000 1.020 291 T CB 2.413 71.384 68.868 0.173 0.000 1.165 291 T HN 0.113 nan 8.240 nan 0.000 0.482 292 P HA 0.236 nan 4.420 nan 0.000 0.261 292 P C 0.860 178.042 177.300 -0.197 0.000 1.268 292 P CA 0.162 63.146 63.100 -0.192 0.000 0.833 292 P CB -0.038 31.413 31.700 -0.415 0.000 1.231 293 G N -0.421 108.318 108.800 -0.103 0.000 2.580 293 G HA2 0.164 4.124 3.960 -0.000 0.000 0.278 293 G HA3 0.164 4.124 3.960 -0.000 0.000 0.278 293 G C -0.252 174.643 174.900 -0.009 0.000 1.212 293 G CA -0.256 44.759 45.100 -0.143 0.000 0.939 293 G HN 0.278 nan 8.290 nan 0.000 0.513 294 H N -1.141 117.858 119.070 -0.118 0.000 2.677 294 H HA -0.181 4.375 4.556 -0.000 0.000 0.321 294 H C 0.845 176.170 175.328 -0.006 0.000 1.171 294 H CA 1.207 57.235 56.048 -0.034 0.000 1.139 294 H CB -1.887 27.899 29.762 0.039 0.000 1.515 294 H HN 0.710 nan 8.280 nan 0.000 0.423 295 T N -3.113 111.432 114.554 -0.016 0.000 3.399 295 T HA 0.315 4.665 4.350 -0.000 0.000 0.305 295 T C 1.589 176.361 174.700 0.119 0.000 0.983 295 T CA -0.363 61.716 62.100 -0.035 0.000 0.967 295 T CB -0.019 68.527 68.868 -0.536 0.000 1.186 295 T HN 0.227 nan 8.240 nan 0.000 0.504 296 L N 1.670 122.942 121.223 0.081 0.000 2.261 296 L HA -0.057 4.283 4.340 -0.000 0.000 0.216 296 L C 2.839 179.748 176.870 0.064 0.000 1.114 296 L CA 1.583 56.444 54.840 0.035 0.000 0.777 296 L CB -0.502 41.561 42.059 0.007 0.000 0.910 296 L HN 0.549 nan 8.230 nan 0.000 0.440 297 S N -2.006 113.808 115.700 0.190 0.000 2.478 297 S HA -0.095 4.375 4.470 -0.000 0.000 0.222 297 S C 1.465 176.129 174.600 0.106 0.000 1.008 297 S CA -0.232 58.052 58.200 0.140 0.000 0.928 297 S CB -0.448 62.864 63.200 0.186 0.000 0.781 297 S HN 0.430 nan 8.310 nan 0.000 0.518 298 W N 2.654 123.923 121.300 -0.052 0.000 2.402 298 W HA 0.285 4.945 4.660 -0.000 0.000 0.286 298 W C 2.203 178.526 176.519 -0.326 0.000 1.221 298 W CA 0.519 57.734 57.345 -0.217 0.000 1.257 298 W CB -0.896 28.493 29.460 -0.119 0.000 1.120 298 W HN 0.453 nan 8.180 nan 0.000 0.551 299 G N -0.145 108.614 108.800 -0.068 0.000 3.424 299 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.263 299 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.263 299 G C 1.380 176.105 174.900 -0.293 0.000 1.310 299 G CA -0.027 44.920 45.100 -0.255 0.000 1.089 299 G HN -0.028 nan 8.290 nan 0.000 0.534 300 K N -0.085 120.178 120.400 -0.228 0.000 2.306 300 K HA 0.113 4.433 4.320 -0.000 0.000 0.200 300 K C 2.134 178.619 176.600 -0.190 0.000 1.083 300 K CA 0.817 56.986 56.287 -0.197 0.000 0.959 300 K CB 0.470 32.880 32.500 -0.150 0.000 0.994 300 K HN 0.196 nan 8.250 nan 0.000 0.492 301 G N 0.508 109.171 108.800 -0.229 0.000 3.159 301 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.232 301 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.232 301 G C 0.008 174.781 174.900 -0.212 0.000 1.116 301 G CA 0.098 45.080 45.100 -0.196 0.000 0.767 301 G HN 0.086 nan 8.290 nan 0.000 0.547 302 Q N 1.120 120.751 119.800 -0.282 0.000 2.337 302 Q HA 0.380 4.720 4.340 -0.000 0.000 0.264 302 Q C -0.512 175.312 176.000 -0.294 0.000 1.007 302 Q CA -0.478 55.117 55.803 -0.346 0.000 0.727 302 Q CB 0.937 29.303 28.738 -0.620 0.000 1.256 302 Q HN 0.151 nan 8.270 nan 0.000 0.467 303 K N 2.831 123.106 120.400 -0.209 0.000 2.326 303 K HA 0.143 4.463 4.320 -0.000 0.000 0.275 303 K C -0.460 176.047 176.600 -0.155 0.000 1.018 303 K CA -0.152 56.039 56.287 -0.160 0.000 0.962 303 K CB 0.506 32.951 32.500 -0.091 0.000 0.953 303 K HN 0.664 nan 8.250 nan 0.000 0.475 304 D N 1.036 121.363 120.400 -0.121 0.000 2.911 304 D HA -0.188 4.452 4.640 -0.000 0.000 0.227 304 D C 0.433 176.666 176.300 -0.112 0.000 1.164 304 D CA 0.663 54.620 54.000 -0.072 0.000 0.782 304 D CB -0.839 39.944 40.800 -0.029 0.000 1.094 304 D HN 0.400 nan 8.370 nan 0.000 0.425 305 L N -0.650 120.460 121.223 -0.189 0.000 2.249 305 L HA 0.190 4.530 4.340 -0.000 0.000 0.207 305 L C 0.712 177.494 176.870 -0.147 0.000 1.090 305 L CA 1.019 55.725 54.840 -0.222 0.000 0.802 305 L CB 0.227 42.067 42.059 -0.364 0.000 0.947 305 L HN 0.113 nan 8.230 nan 0.000 0.453 306 L N -0.155 120.990 121.223 -0.131 0.000 2.360 306 L HA 0.323 4.663 4.340 -0.000 0.000 0.271 306 L C 0.162 177.074 176.870 0.070 0.000 1.057 306 L CA -0.662 54.144 54.840 -0.056 0.000 0.803 306 L CB 1.248 43.241 42.059 -0.110 0.000 1.207 306 L HN -0.162 nan 8.230 nan 0.000 0.445 307 T N 3.046 117.674 114.554 0.124 0.000 2.799 307 T HA 0.192 4.542 4.350 -0.000 0.000 0.296 307 T C -2.367 172.416 174.700 0.139 0.000 0.947 307 T CA -0.806 61.398 62.100 0.172 0.000 1.141 307 T CB 0.575 69.630 68.868 0.312 0.000 0.891 307 T HN 0.279 nan 8.240 nan 0.000 0.533 308 P HA 0.242 nan 4.420 nan 0.000 0.276 308 P C -0.686 176.364 177.300 -0.417 0.000 1.235 308 P CA -0.575 62.380 63.100 -0.242 0.000 0.772 308 P CB 0.272 31.758 31.700 -0.358 0.000 0.871 309 c N 4.548 122.846 118.600 -0.504 0.000 2.281 309 c HA 0.350 4.920 4.570 -0.000 0.000 0.336 309 c C 0.379 174.219 174.090 -0.416 0.000 1.217 309 c CA -0.170 55.950 56.329 -0.349 0.000 1.730 309 c CB -1.938 40.419 42.510 -0.255 0.000 2.338 309 c HN 0.539 nan 8.230 nan 0.000 0.521 310 Y N 1.980 122.235 120.300 -0.075 0.000 2.408 310 Y HA 0.612 5.162 4.550 -0.000 0.000 0.324 310 Y C 1.039 176.910 175.900 -0.048 0.000 1.302 310 Y CA 0.789 58.853 58.100 -0.061 0.000 1.384 310 Y CB 0.803 39.245 38.460 -0.030 0.000 1.367 310 Y HN 0.837 nan 8.280 nan 0.000 0.525 318 S N 0.130 115.630 115.700 -0.334 0.000 2.745 318 S HA 0.892 5.362 4.470 -0.000 0.000 0.292 318 S C -0.311 173.963 174.600 -0.544 0.000 1.127 318 S CA -0.674 57.347 58.200 -0.299 0.000 1.007 318 S CB 1.139 64.260 63.200 -0.132 0.000 1.165 318 S HN 0.285 nan 8.310 nan 0.000 0.544 319 F N -1.076 118.795 119.950 -0.130 0.000 2.618 319 F HA 0.782 5.309 4.527 -0.000 0.000 0.332 319 F C 1.040 176.745 175.800 -0.158 0.000 1.061 319 F CA -0.406 57.509 58.000 -0.143 0.000 0.974 319 F CB 1.796 40.724 39.000 -0.120 0.000 1.310 319 F HN 0.943 nan 8.300 nan 0.000 0.491 320 G N -0.223 108.599 108.800 0.035 0.000 3.122 320 G HA2 0.663 4.623 3.960 -0.000 0.000 0.180 320 G HA3 0.663 4.623 3.960 -0.000 0.000 0.180 320 G C -2.895 171.911 174.900 -0.156 0.000 1.279 320 G CA -1.464 43.557 45.100 -0.131 0.000 0.987 320 G HN 0.307 nan 8.290 nan 0.000 0.589 321 P HA 0.286 nan 4.420 nan 0.000 0.277 321 P C -0.085 177.171 177.300 -0.073 0.000 1.276 321 P CA -0.516 62.416 63.100 -0.279 0.000 0.788 321 P CB 0.590 31.957 31.700 -0.555 0.000 1.114 322 I N 0.896 121.400 120.570 -0.111 0.000 2.618 322 I HA -0.016 4.154 4.170 -0.000 0.000 0.284 322 I C 1.161 177.289 176.117 0.018 0.000 1.146 322 I CA 0.082 61.313 61.300 -0.114 0.000 1.425 322 I CB -0.251 37.590 38.000 -0.265 0.000 1.383 322 I HN 0.294 nan 8.210 nan 0.000 0.562 323 N N 9.300 127.999 118.700 -0.002 0.000 2.431 323 N HA 0.103 4.843 4.740 -0.000 0.000 0.265 323 N C -1.932 173.485 175.510 -0.155 0.000 1.184 323 N CA -1.461 51.572 53.050 -0.028 0.000 0.943 323 N CB 1.066 39.544 38.487 -0.017 0.000 1.080 323 N HN 0.309 nan 8.380 nan 0.000 0.477 324 P HA 0.145 nan 4.420 nan 0.000 0.259 324 P C 0.607 177.868 177.300 -0.065 0.000 1.530 324 P CA 0.149 63.220 63.100 -0.048 0.000 1.022 324 P CB 0.113 31.776 31.700 -0.061 0.000 1.514 325 T N -3.558 110.804 114.554 -0.320 0.000 3.000 325 T HA 0.203 4.553 4.350 -0.000 0.000 0.248 325 T C 0.734 175.320 174.700 -0.189 0.000 1.034 325 T CA 0.048 61.712 62.100 -0.727 0.000 1.060 325 T CB -0.501 67.906 68.868 -0.769 0.000 0.983 325 T HN -0.074 nan 8.240 nan 0.000 0.482 326 L N 3.693 124.906 121.223 -0.017 0.000 2.371 326 L HA 0.385 4.725 4.340 -0.000 0.000 0.272 326 L C 1.438 178.447 176.870 0.232 0.000 1.124 326 L CA -0.843 54.048 54.840 0.085 0.000 0.816 326 L CB 0.648 42.731 42.059 0.040 0.000 1.129 326 L HN 0.259 nan 8.230 nan 0.000 0.448 327 N N 0.184 119.026 118.700 0.237 0.000 2.459 327 N HA -0.151 4.589 4.740 -0.000 0.000 0.181 327 N C 1.348 177.016 175.510 0.263 0.000 1.046 327 N CA 1.192 54.426 53.050 0.306 0.000 0.904 327 N CB -0.714 37.897 38.487 0.208 0.000 0.964 327 N HN 0.767 nan 8.380 nan 0.000 0.444 328 T N -3.154 111.503 114.554 0.171 0.000 2.867 328 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 328 T C 1.790 176.572 174.700 0.137 0.000 1.057 328 T CA 1.671 63.852 62.100 0.135 0.000 1.136 328 T CB -1.079 67.832 68.868 0.071 0.000 0.874 328 T HN 0.128 nan 8.240 nan 0.000 0.466 329 T N 1.307 115.899 114.554 0.064 0.000 2.652 329 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 329 T C 1.557 176.270 174.700 0.022 0.000 1.039 329 T CA 1.763 63.841 62.100 -0.036 0.000 1.153 329 T CB -0.644 68.052 68.868 -0.288 0.000 0.863 329 T HN 0.594 nan 8.240 nan 0.000 0.428 330 Y N 1.807 122.220 120.300 0.188 0.000 2.373 330 Y HA -0.060 4.490 4.550 -0.000 0.000 0.293 330 Y C 2.970 178.959 175.900 0.148 0.000 1.129 330 Y CA 0.849 59.035 58.100 0.142 0.000 1.226 330 Y CB -0.634 37.873 38.460 0.077 0.000 1.000 330 Y HN 0.287 nan 8.280 nan 0.000 0.549 331 S N -0.256 115.625 115.700 0.302 0.000 2.387 331 S HA -0.219 4.251 4.470 -0.000 0.000 0.226 331 S C 1.889 176.654 174.600 0.274 0.000 1.026 331 S CA 0.891 59.241 58.200 0.250 0.000 0.972 331 S CB -1.134 62.202 63.200 0.226 0.000 0.814 331 S HN 0.472 nan 8.310 nan 0.000 0.477 332 F N 2.711 122.735 119.950 0.122 0.000 2.113 332 F HA 0.165 4.692 4.527 -0.000 0.000 0.297 332 F C 1.859 177.721 175.800 0.103 0.000 1.103 332 F CA 1.020 59.049 58.000 0.048 0.000 1.248 332 F CB -0.467 38.444 39.000 -0.149 0.000 0.999 332 F HN 0.124 nan 8.300 nan 0.000 0.475 333 L N -0.110 121.070 121.223 -0.070 0.000 2.083 333 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 333 L C 2.369 179.363 176.870 0.206 0.000 1.083 333 L CA 1.757 56.602 54.840 0.008 0.000 0.752 333 L CB -1.302 40.917 42.059 0.266 0.000 0.899 333 L HN 0.187 nan 8.230 nan 0.000 0.433 334 T N -0.974 113.688 114.554 0.179 0.000 2.684 334 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 334 T C 1.897 176.684 174.700 0.145 0.000 1.036 334 T CA 2.110 64.311 62.100 0.169 0.000 1.148 334 T CB -0.471 68.482 68.868 0.141 0.000 0.863 334 T HN 0.562 nan 8.240 nan 0.000 0.436 335 T N -0.151 114.493 114.554 0.149 0.000 2.995 335 T HA 0.044 4.394 4.350 -0.000 0.000 0.269 335 T C 1.685 176.475 174.700 0.150 0.000 1.091 335 T CA 0.389 62.587 62.100 0.162 0.000 1.128 335 T CB -0.560 68.460 68.868 0.252 0.000 0.891 335 T HN 0.326 nan 8.240 nan 0.000 0.492 336 F N 1.229 121.100 119.950 -0.132 0.000 2.118 336 F HA 0.220 4.747 4.527 -0.000 0.000 0.293 336 F C 1.549 177.134 175.800 -0.358 0.000 1.102 336 F CA 0.490 58.283 58.000 -0.344 0.000 1.247 336 F CB -0.271 38.182 39.000 -0.913 0.000 1.017 336 F HN 0.082 nan 8.300 nan 0.000 0.475 337 F N 0.522 120.432 119.950 -0.067 0.000 2.604 337 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 337 F C 2.267 177.981 175.800 -0.143 0.000 1.131 337 F CA 0.740 58.655 58.000 -0.142 0.000 1.457 337 F CB -0.558 38.428 39.000 -0.023 0.000 1.095 337 F HN -0.099 nan 8.300 nan 0.000 0.574 338 K N 0.977 121.399 120.400 0.037 0.000 2.167 338 K HA -0.156 4.164 4.320 -0.000 0.000 0.203 338 K C 2.029 178.594 176.600 -0.059 0.000 1.052 338 K CA 1.023 57.313 56.287 0.006 0.000 0.956 338 K CB -0.131 32.382 32.500 0.021 0.000 0.735 338 K HN 0.374 nan 8.250 nan 0.000 0.451 339 E N 0.457 120.574 120.200 -0.138 0.000 2.072 339 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 339 E C 1.854 178.346 176.600 -0.181 0.000 0.982 339 E CA 0.683 56.981 56.400 -0.170 0.000 0.803 339 E CB 0.101 29.663 29.700 -0.229 0.000 0.755 339 E HN 0.099 nan 8.360 nan 0.000 0.453 340 I N 1.429 121.824 120.570 -0.292 0.000 2.361 340 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 340 I C 2.288 178.431 176.117 0.043 0.000 1.133 340 I CA 1.025 62.230 61.300 -0.157 0.000 1.413 340 I CB -1.288 36.521 38.000 -0.318 0.000 1.073 340 I HN 0.062 nan 8.210 nan 0.000 0.424 341 S N 0.342 116.044 115.700 0.004 0.000 2.447 341 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 341 S C 1.692 176.286 174.600 -0.010 0.000 1.006 341 S CA 0.978 59.188 58.200 0.016 0.000 0.957 341 S CB -0.129 63.074 63.200 0.004 0.000 0.773 341 S HN 0.569 nan 8.310 nan 0.000 0.507 342 E N -0.094 120.085 120.200 -0.034 0.000 2.431 342 E HA 0.119 4.469 4.350 -0.000 0.000 0.200 342 E C 1.612 178.158 176.600 -0.090 0.000 0.995 342 E CA 0.062 56.428 56.400 -0.056 0.000 0.915 342 E CB 0.265 29.933 29.700 -0.053 0.000 0.930 342 E HN 0.211 nan 8.360 nan 0.000 0.496 343 V N 0.608 120.459 119.914 -0.106 0.000 2.331 343 V HA -0.056 4.064 4.120 -0.000 0.000 0.242 343 V C 0.487 176.353 176.094 -0.380 0.000 1.034 343 V CA 1.150 63.302 62.300 -0.246 0.000 1.027 343 V CB -0.095 31.555 31.823 -0.288 0.000 0.667 343 V HN 0.088 nan 8.190 nan 0.000 0.457 344 F N 1.745 121.647 119.950 -0.079 0.000 2.391 344 F HA 0.390 4.917 4.527 -0.000 0.000 0.359 344 F C -1.329 174.383 175.800 -0.148 0.000 1.122 344 F CA -2.163 55.784 58.000 -0.087 0.000 1.120 344 F CB 0.878 39.854 39.000 -0.040 0.000 1.142 344 F HN 0.059 nan 8.300 nan 0.000 0.483 345 P HA -0.056 nan 4.420 nan 0.000 0.245 345 P C -0.098 177.097 177.300 -0.175 0.000 1.212 345 P CA 0.374 63.283 63.100 -0.318 0.000 0.774 345 P CB 0.107 31.235 31.700 -0.953 0.000 0.999 346 D N -0.141 120.242 120.400 -0.029 0.000 2.341 346 D HA 0.038 4.678 4.640 -0.000 0.000 0.245 346 D C 1.471 177.777 176.300 0.010 0.000 1.106 346 D CA -0.021 54.000 54.000 0.036 0.000 0.905 346 D CB 0.886 41.748 40.800 0.103 0.000 1.202 346 D HN -0.072 nan 8.370 nan 0.000 0.426 347 Q N 1.327 121.116 119.800 -0.019 0.000 2.119 347 Q HA -0.036 4.304 4.340 -0.000 0.000 0.201 347 Q C 0.058 175.876 176.000 -0.303 0.000 0.972 347 Q CA 0.839 56.523 55.803 -0.199 0.000 0.847 347 Q CB 0.034 28.570 28.738 -0.336 0.000 0.903 347 Q HN 0.490 nan 8.270 nan 0.000 0.433 348 F N 0.153 120.093 119.950 -0.017 0.000 2.379 348 F HA 0.398 4.925 4.527 -0.000 0.000 0.332 348 F C 0.103 175.869 175.800 -0.057 0.000 1.096 348 F CA -0.599 57.376 58.000 -0.042 0.000 1.105 348 F CB 0.919 39.892 39.000 -0.044 0.000 1.189 348 F HN -0.131 nan 8.300 nan 0.000 0.515 349 I N 1.775 122.413 120.570 0.112 0.000 2.500 349 I HA 0.162 4.332 4.170 -0.000 0.000 0.286 349 I C -0.856 175.279 176.117 0.030 0.000 1.063 349 I CA -0.635 60.696 61.300 0.052 0.000 1.062 349 I CB 1.790 39.827 38.000 0.062 0.000 1.223 349 I HN 0.587 nan 8.210 nan 0.000 0.435 350 H N 5.904 124.919 119.070 -0.091 0.000 2.767 350 H HA 0.306 4.862 4.556 -0.000 0.000 0.316 350 H C 0.416 175.747 175.328 0.005 0.000 1.059 350 H CA 0.116 56.080 56.048 -0.139 0.000 1.461 350 H CB 1.062 30.630 29.762 -0.324 0.000 1.475 350 H HN 0.557 nan 8.280 nan 0.000 0.531 351 L N 4.162 125.395 121.223 0.017 0.000 2.590 351 L HA 0.265 4.605 4.340 -0.000 0.000 0.227 351 L C 1.782 178.831 176.870 0.299 0.000 1.099 351 L CA 0.406 55.341 54.840 0.159 0.000 0.872 351 L CB -0.116 41.934 42.059 -0.016 0.000 1.088 351 L HN 1.035 nan 8.230 nan 0.000 0.479 352 G N 0.911 109.959 108.800 0.414 0.000 2.652 352 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.278 352 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.278 352 G C 0.755 176.013 174.900 0.597 0.000 1.263 352 G CA 0.029 45.524 45.100 0.659 0.000 0.966 352 G HN 0.899 nan 8.290 nan 0.000 0.544 353 G N 0.377 109.450 108.800 0.454 0.000 2.326 353 G HA2 0.306 4.266 3.960 -0.000 0.000 0.286 353 G HA3 0.306 4.266 3.960 -0.000 0.000 0.286 353 G C -0.152 174.975 174.900 0.380 0.000 1.096 353 G CA 1.392 46.710 45.100 0.364 0.000 1.003 353 G HN 2.242 nan 8.290 nan 0.000 0.503 354 D N -1.179 119.412 120.400 0.318 0.000 2.547 354 D HA 0.493 5.133 4.640 -0.000 0.000 0.231 354 D C 0.545 176.920 176.300 0.125 0.000 1.099 354 D CA -0.590 53.539 54.000 0.214 0.000 0.901 354 D CB 0.506 41.276 40.800 -0.049 0.000 1.478 354 D HN 0.364 nan 8.370 nan 0.000 0.471 355 E N -0.925 119.339 120.200 0.105 0.000 2.660 355 E HA -0.151 4.199 4.350 -0.000 0.000 0.260 355 E C -0.370 176.119 176.600 -0.186 0.000 1.122 355 E CA 0.343 56.742 56.400 -0.002 0.000 0.755 355 E CB -1.360 28.369 29.700 0.047 0.000 1.345 355 E HN 0.312 nan 8.360 nan 0.000 0.421 356 V N 1.600 121.375 119.914 -0.232 0.000 2.446 356 V HA 0.000 4.120 4.120 -0.000 0.000 0.276 356 V C 0.859 176.478 176.094 -0.792 0.000 1.030 356 V CA 0.636 62.655 62.300 -0.468 0.000 1.033 356 V CB 0.735 32.323 31.823 -0.392 0.000 0.993 356 V HN 0.129 nan 8.190 nan 0.000 0.477 357 E N 4.084 123.838 120.200 -0.744 0.000 2.200 357 E HA 0.292 4.642 4.350 -0.000 0.000 0.283 357 E C -0.401 175.703 176.600 -0.827 0.000 1.015 357 E CA -0.342 55.639 56.400 -0.698 0.000 0.819 357 E CB 0.947 30.381 29.700 -0.443 0.000 1.081 357 E HN 0.611 nan 8.360 nan 0.000 0.397 358 F N 1.918 121.664 119.950 -0.341 0.000 2.765 358 F HA 0.075 4.602 4.527 -0.000 0.000 0.302 358 F C 2.045 177.634 175.800 -0.351 0.000 1.111 358 F CA -0.043 57.731 58.000 -0.377 0.000 1.359 358 F CB -0.191 38.705 39.000 -0.174 0.000 1.097 358 F HN 0.346 nan 8.300 nan 0.000 0.577 359 K N 0.666 120.973 120.400 -0.156 0.000 2.020 359 K HA -0.218 4.102 4.320 -0.000 0.000 0.212 359 K C 2.243 178.770 176.600 -0.122 0.000 1.050 359 K CA 2.022 58.240 56.287 -0.114 0.000 0.929 359 K CB -1.153 31.273 32.500 -0.123 0.000 0.714 359 K HN 0.313 nan 8.250 nan 0.000 0.443 360 c N -0.316 118.169 118.600 -0.191 0.000 2.457 360 c HA -0.012 4.558 4.570 -0.000 0.000 0.278 360 c C 2.196 176.294 174.090 0.014 0.000 1.309 360 c CA 0.318 56.572 56.329 -0.124 0.000 1.735 360 c CB -1.382 41.015 42.510 -0.188 0.000 1.992 360 c HN 0.681 nan 8.230 nan 0.000 0.493 361 W N 0.875 122.071 121.300 -0.173 0.000 2.363 361 W HA -0.017 4.643 4.660 -0.000 0.000 0.296 361 W C 2.501 178.864 176.519 -0.259 0.000 1.212 361 W CA 1.070 58.290 57.345 -0.209 0.000 1.260 361 W CB -1.243 28.039 29.460 -0.297 0.000 1.131 361 W HN 0.446 nan 8.180 nan 0.000 0.530 362 E N 0.577 120.672 120.200 -0.175 0.000 2.347 362 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 362 E C 1.219 177.892 176.600 0.122 0.000 1.008 362 E CA 1.206 57.580 56.400 -0.044 0.000 0.852 362 E CB -0.001 29.668 29.700 -0.052 0.000 0.783 362 E HN 0.217 nan 8.360 nan 0.000 0.505 363 S N -0.361 115.398 115.700 0.099 0.000 2.561 363 S HA 0.195 4.665 4.470 -0.000 0.000 0.245 363 S C 0.062 174.771 174.600 0.183 0.000 1.001 363 S CA -0.685 57.588 58.200 0.121 0.000 1.002 363 S CB -0.463 62.789 63.200 0.086 0.000 0.805 363 S HN 0.113 nan 8.310 nan 0.000 0.458 364 N N 2.022 120.842 118.700 0.200 0.000 2.524 364 N HA 0.303 5.043 4.740 -0.000 0.000 0.261 364 N C -2.109 173.498 175.510 0.160 0.000 0.998 364 N CA -2.275 50.917 53.050 0.237 0.000 0.915 364 N CB 1.829 40.477 38.487 0.267 0.000 1.187 364 N HN -0.050 nan 8.380 nan 0.000 0.507 365 P HA -0.213 nan 4.420 nan 0.000 0.216 365 P C 0.858 178.201 177.300 0.071 0.000 1.153 365 P CA 1.340 64.468 63.100 0.046 0.000 0.858 365 P CB 0.329 32.008 31.700 -0.036 0.000 0.789 366 K N -0.273 120.173 120.400 0.076 0.000 2.097 366 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 366 K C 2.343 179.016 176.600 0.121 0.000 1.049 366 K CA 1.029 57.369 56.287 0.089 0.000 0.933 366 K CB -0.957 31.598 32.500 0.091 0.000 0.717 366 K HN 0.310 nan 8.250 nan 0.000 0.442 367 I N 1.182 121.832 120.570 0.134 0.000 2.353 367 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 367 I C 2.304 178.554 176.117 0.222 0.000 1.119 367 I CA 0.973 62.363 61.300 0.151 0.000 1.417 367 I CB -0.274 37.797 38.000 0.119 0.000 1.078 367 I HN 0.199 nan 8.210 nan 0.000 0.421 368 Q N 0.599 120.521 119.800 0.203 0.000 2.297 368 Q HA -0.221 4.119 4.340 -0.000 0.000 0.208 368 Q C 1.476 177.546 176.000 0.117 0.000 0.981 368 Q CA 1.326 57.237 55.803 0.181 0.000 0.876 368 Q CB -0.079 28.750 28.738 0.152 0.000 0.921 368 Q HN 0.510 nan 8.270 nan 0.000 0.446 369 D N -0.040 120.430 120.400 0.116 0.000 2.149 369 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 369 D C 1.293 177.640 176.300 0.079 0.000 0.972 369 D CA 0.679 54.724 54.000 0.076 0.000 0.835 369 D CB -0.258 40.588 40.800 0.077 0.000 0.966 369 D HN 0.161 nan 8.370 nan 0.000 0.476 370 F N 1.046 120.991 119.950 -0.009 0.000 2.365 370 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 370 F C 2.032 177.790 175.800 -0.070 0.000 1.090 370 F CA 0.817 58.795 58.000 -0.038 0.000 1.408 370 F CB 0.036 39.032 39.000 -0.007 0.000 1.060 370 F HN -0.173 nan 8.300 nan 0.000 0.534 371 M N -0.357 119.281 119.600 0.065 0.000 2.349 371 M HA -0.055 4.425 4.480 -0.000 0.000 0.266 371 M C 2.007 178.190 176.300 -0.195 0.000 1.076 371 M CA 1.280 56.567 55.300 -0.022 0.000 1.126 371 M CB -0.938 31.665 32.600 0.005 0.000 1.392 371 M HN 0.172 nan 8.290 nan 0.000 0.440 372 R N -0.076 120.322 120.500 -0.170 0.000 2.057 372 R HA -0.049 4.291 4.340 -0.000 0.000 0.224 372 R C 1.944 178.078 176.300 -0.277 0.000 1.136 372 R CA 0.794 56.781 56.100 -0.188 0.000 0.968 372 R CB -0.429 29.803 30.300 -0.113 0.000 0.863 372 R HN 0.233 nan 8.270 nan 0.000 0.433 373 Q N 0.587 120.205 119.800 -0.304 0.000 2.508 373 Q HA -0.043 4.297 4.340 -0.000 0.000 0.214 373 Q C 1.076 176.766 176.000 -0.517 0.000 0.979 373 Q CA 1.200 56.793 55.803 -0.351 0.000 0.911 373 Q CB 0.279 28.832 28.738 -0.308 0.000 0.969 373 Q HN 0.102 nan 8.270 nan 0.000 0.504 374 K N -2.460 117.519 120.400 -0.701 0.000 2.464 374 K HA 0.262 4.582 4.320 -0.000 0.000 0.206 374 K C 0.613 176.608 176.600 -1.008 0.000 1.186 374 K CA 0.674 56.358 56.287 -1.005 0.000 0.990 374 K CB 1.066 32.630 32.500 -1.560 0.000 1.003 374 K HN 0.118 nan 8.250 nan 0.000 0.562 375 G N 2.319 110.706 108.800 -0.688 0.000 2.256 375 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.272 375 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.272 375 G C 0.216 174.895 174.900 -0.368 0.000 1.076 375 G CA 0.022 44.858 45.100 -0.439 0.000 0.882 375 G HN 0.179 nan 8.290 nan 0.000 0.497 376 F N 0.592 120.424 119.950 -0.196 0.000 2.789 376 F HA 0.386 4.913 4.527 -0.000 0.000 0.300 376 F C 2.247 177.917 175.800 -0.217 0.000 1.132 376 F CA 0.662 58.546 58.000 -0.194 0.000 1.404 376 F CB -0.248 38.626 39.000 -0.210 0.000 1.114 376 F HN 0.841 nan 8.300 nan 0.000 0.584 377 G N 1.100 109.860 108.800 -0.066 0.000 2.565 377 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.295 377 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.295 377 G C 0.964 175.745 174.900 -0.198 0.000 1.165 377 G CA 0.948 45.983 45.100 -0.109 0.000 0.977 377 G HN 0.464 nan 8.290 nan 0.000 0.546 378 T N -2.342 112.077 114.554 -0.225 0.000 3.145 378 T HA 0.457 4.807 4.350 -0.000 0.000 0.281 378 T C 0.028 174.470 174.700 -0.430 0.000 1.003 378 T CA 1.035 62.926 62.100 -0.348 0.000 0.901 378 T CB 0.755 69.547 68.868 -0.127 0.000 1.112 378 T HN 0.599 nan 8.240 nan 0.000 0.535 379 D N 0.954 121.139 120.400 -0.360 0.000 2.456 379 D HA 0.324 4.964 4.640 -0.000 0.000 0.219 379 D C 0.063 176.133 176.300 -0.383 0.000 1.126 379 D CA -1.232 52.603 54.000 -0.276 0.000 0.890 379 D CB -0.147 40.566 40.800 -0.145 0.000 1.025 379 D HN 0.193 nan 8.370 nan 0.000 0.511 380 F N 1.922 121.684 119.950 -0.314 0.000 2.771 380 F HA 0.075 4.602 4.527 -0.000 0.000 0.299 380 F C 2.050 177.574 175.800 -0.460 0.000 1.177 380 F CA 0.380 58.137 58.000 -0.404 0.000 1.450 380 F CB -0.017 38.684 39.000 -0.498 0.000 1.114 380 F HN 0.298 nan 8.300 nan 0.000 0.587 381 K N 0.388 120.626 120.400 -0.270 0.000 2.211 381 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 381 K C 1.776 178.345 176.600 -0.053 0.000 1.050 381 K CA 1.015 57.262 56.287 -0.065 0.000 0.945 381 K CB -0.091 32.394 32.500 -0.024 0.000 0.732 381 K HN 0.285 nan 8.250 nan 0.000 0.451 382 K N 0.442 120.714 120.400 -0.213 0.000 2.167 382 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 382 K C 1.917 178.175 176.600 -0.570 0.000 1.052 382 K CA 0.477 56.508 56.287 -0.426 0.000 0.956 382 K CB -0.005 32.111 32.500 -0.641 0.000 0.735 382 K HN -0.009 nan 8.250 nan 0.000 0.451 383 L N 1.616 122.592 121.223 -0.412 0.000 2.217 383 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 383 L C 2.127 179.068 176.870 0.117 0.000 1.107 383 L CA 1.727 56.476 54.840 -0.153 0.000 0.783 383 L CB -0.211 41.845 42.059 -0.005 0.000 0.919 383 L HN 0.094 nan 8.230 nan 0.000 0.442 384 E N -0.654 119.693 120.200 0.245 0.000 2.072 384 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 384 E C 2.131 178.925 176.600 0.324 0.000 0.982 384 E CA 1.248 57.915 56.400 0.445 0.000 0.803 384 E CB 0.122 30.176 29.700 0.590 0.000 0.755 384 E HN 0.505 nan 8.360 nan 0.000 0.453 385 S N 0.440 116.251 115.700 0.185 0.000 2.402 385 S HA -0.100 4.370 4.470 -0.000 0.000 0.229 385 S C 1.596 176.287 174.600 0.152 0.000 1.021 385 S CA 0.676 58.956 58.200 0.133 0.000 0.974 385 S CB -0.350 62.884 63.200 0.055 0.000 0.800 385 S HN 0.314 nan 8.310 nan 0.000 0.484 386 F N 1.278 121.237 119.950 0.016 0.000 2.146 386 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 386 F C 2.030 177.937 175.800 0.180 0.000 1.096 386 F CA 1.110 59.158 58.000 0.080 0.000 1.275 386 F CB -0.518 38.536 39.000 0.090 0.000 1.008 386 F HN 0.260 nan 8.300 nan 0.000 0.480 387 Y N 0.055 120.421 120.300 0.110 0.000 2.184 387 Y HA -0.141 4.409 4.550 -0.000 0.000 0.290 387 Y C 2.236 178.170 175.900 0.058 0.000 1.129 387 Y CA 1.837 60.002 58.100 0.109 0.000 1.144 387 Y CB -0.714 37.862 38.460 0.193 0.000 0.995 387 Y HN 0.113 nan 8.280 nan 0.000 0.513 388 I N 0.928 121.546 120.570 0.079 0.000 2.286 388 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 388 I C 2.170 178.202 176.117 -0.142 0.000 1.115 388 I CA 1.647 62.920 61.300 -0.045 0.000 1.392 388 I CB -0.579 37.492 38.000 0.119 0.000 1.065 388 I HN 0.382 nan 8.210 nan 0.000 0.418 389 Q N -0.209 119.524 119.800 -0.112 0.000 2.119 389 Q HA -0.187 4.153 4.340 -0.000 0.000 0.201 389 Q C 2.162 178.043 176.000 -0.199 0.000 0.972 389 Q CA 1.121 56.848 55.803 -0.126 0.000 0.847 389 Q CB -0.144 28.547 28.738 -0.078 0.000 0.903 389 Q HN 0.330 nan 8.270 nan 0.000 0.433 390 K N 0.173 120.393 120.400 -0.300 0.000 2.063 390 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 390 K C 2.040 178.503 176.600 -0.229 0.000 1.048 390 K CA 1.085 57.182 56.287 -0.316 0.000 0.928 390 K CB -0.274 31.971 32.500 -0.425 0.000 0.713 390 K HN 0.118 nan 8.250 nan 0.000 0.442 391 V N 1.657 121.385 119.914 -0.310 0.000 2.453 391 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 391 V C 2.426 178.342 176.094 -0.296 0.000 1.048 391 V CA 1.140 63.235 62.300 -0.341 0.000 1.049 391 V CB -0.406 31.133 31.823 -0.474 0.000 0.672 391 V HN 0.187 nan 8.190 nan 0.000 0.457 392 L N -0.017 121.068 121.223 -0.230 0.000 2.042 392 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 392 L C 2.325 179.108 176.870 -0.145 0.000 1.076 392 L CA 1.723 56.458 54.840 -0.175 0.000 0.749 392 L CB -0.708 41.278 42.059 -0.123 0.000 0.893 392 L HN 0.333 nan 8.230 nan 0.000 0.432 393 D N 0.132 120.454 120.400 -0.131 0.000 2.117 393 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 393 D C 2.242 178.485 176.300 -0.094 0.000 0.987 393 D CA 1.181 55.123 54.000 -0.097 0.000 0.829 393 D CB -0.148 40.597 40.800 -0.091 0.000 0.961 393 D HN 0.265 nan 8.370 nan 0.000 0.460 394 I N 0.735 121.237 120.570 -0.113 0.000 2.151 394 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 394 I C 1.985 178.040 176.117 -0.104 0.000 1.080 394 I CA 0.712 61.959 61.300 -0.089 0.000 1.339 394 I CB -0.259 37.686 38.000 -0.092 0.000 1.039 394 I HN 0.046 nan 8.210 nan 0.000 0.409 395 I N 1.023 121.492 120.570 -0.168 0.000 2.315 395 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 395 I C 2.807 178.860 176.117 -0.106 0.000 1.117 395 I CA 1.526 62.733 61.300 -0.154 0.000 1.404 395 I CB -1.641 36.236 38.000 -0.204 0.000 1.071 395 I HN 0.173 nan 8.210 nan 0.000 0.419 396 A N 0.524 123.287 122.820 -0.094 0.000 1.968 396 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 396 A C 2.388 179.940 177.584 -0.054 0.000 1.169 396 A CA 1.831 53.826 52.037 -0.070 0.000 0.638 396 A CB -0.915 18.052 19.000 -0.055 0.000 0.812 396 A HN 0.391 nan 8.150 nan 0.000 0.446 397 T N 1.024 115.549 114.554 -0.049 0.000 2.788 397 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 397 T C 1.427 176.110 174.700 -0.028 0.000 1.044 397 T CA 1.432 63.513 62.100 -0.032 0.000 1.139 397 T CB -0.482 68.371 68.868 -0.024 0.000 0.867 397 T HN 0.699 nan 8.240 nan 0.000 0.454 398 I N -0.969 119.581 120.570 -0.034 0.000 3.864 398 I HA 0.303 4.473 4.170 -0.000 0.000 0.326 398 I C -0.581 175.510 176.117 -0.043 0.000 1.444 398 I CA -0.440 60.843 61.300 -0.029 0.000 1.195 398 I CB -0.643 37.347 38.000 -0.017 0.000 1.124 398 I HN -0.039 nan 8.210 nan 0.000 0.407 399 N N 2.690 121.359 118.700 -0.051 0.000 2.705 399 N HA -0.152 4.588 4.740 -0.000 0.000 0.255 399 N C -0.646 174.806 175.510 -0.098 0.000 1.008 399 N CA 1.069 54.080 53.050 -0.065 0.000 0.742 399 N CB -0.616 37.842 38.487 -0.048 0.000 0.906 399 N HN 0.584 nan 8.380 nan 0.000 0.541 400 K N -0.306 120.022 120.400 -0.120 0.000 2.385 400 K HA 0.647 4.967 4.320 -0.000 0.000 0.248 400 K C 0.899 177.357 176.600 -0.237 0.000 0.955 400 K CA -0.497 55.685 56.287 -0.175 0.000 0.816 400 K CB 1.892 34.321 32.500 -0.119 0.000 1.250 400 K HN 0.159 nan 8.250 nan 0.000 0.434 401 G N 0.222 108.760 108.800 -0.436 0.000 2.588 401 G HA2 0.429 4.389 3.960 -0.000 0.000 0.281 401 G HA3 0.429 4.389 3.960 -0.000 0.000 0.281 401 G C -0.746 174.097 174.900 -0.096 0.000 1.236 401 G CA -0.203 44.605 45.100 -0.488 0.000 0.969 401 G HN 0.360 nan 8.290 nan 0.000 0.504 402 S N -1.139 114.665 115.700 0.174 0.000 2.540 402 S HA 0.585 5.055 4.470 -0.000 0.000 0.275 402 S C -0.776 173.862 174.600 0.063 0.000 1.123 402 S CA -0.359 57.894 58.200 0.087 0.000 0.907 402 S CB 1.504 64.674 63.200 -0.051 0.000 1.081 402 S HN 0.489 nan 8.310 nan 0.000 0.476 403 I N 2.017 122.500 120.570 -0.145 0.000 2.608 403 I HA 0.766 4.936 4.170 -0.000 0.000 0.295 403 I C -0.898 174.772 176.117 -0.746 0.000 1.049 403 I CA -1.019 60.042 61.300 -0.398 0.000 1.063 403 I CB 2.035 39.792 38.000 -0.404 0.000 1.248 403 I HN 0.380 nan 8.210 nan 0.000 0.424 404 V N 4.917 124.422 119.914 -0.682 0.000 3.120 404 V HA 0.457 4.577 4.120 -0.000 0.000 0.303 404 V C -1.430 174.502 176.094 -0.270 0.000 1.238 404 V CA -0.486 61.476 62.300 -0.563 0.000 1.008 404 V CB 2.370 34.075 31.823 -0.196 0.000 1.064 404 V HN 0.746 nan 8.190 nan 0.000 0.434 405 W N 2.510 123.910 121.300 0.167 0.000 2.034 405 W HA 0.261 4.921 4.660 0.000 0.000 0.357 405 W C 1.746 178.441 176.519 0.294 0.000 1.326 405 W CA 0.730 58.280 57.345 0.342 0.000 1.318 405 W CB 0.460 30.163 29.460 0.405 0.000 1.193 405 W HN 0.778 nan 8.180 nan 0.000 0.620 406 Q N -0.309 119.893 119.800 0.670 0.000 2.291 406 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 406 Q C 1.277 177.493 176.000 0.359 0.000 0.970 406 Q CA 1.664 57.703 55.803 0.393 0.000 0.876 406 Q CB -0.162 28.725 28.738 0.247 0.000 0.935 406 Q HN 0.547 nan 8.270 nan 0.000 0.455 407 E N 1.070 121.510 120.200 0.400 0.000 2.070 407 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 407 E C 2.040 178.799 176.600 0.265 0.000 1.004 407 E CA 1.844 58.424 56.400 0.301 0.000 0.805 407 E CB -0.319 29.570 29.700 0.315 0.000 0.744 407 E HN 0.218 nan 8.360 nan 0.000 0.451 408 V N 0.506 120.589 119.914 0.283 0.000 2.287 408 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 408 V C 1.997 178.196 176.094 0.174 0.000 1.053 408 V CA 2.004 64.434 62.300 0.216 0.000 1.027 408 V CB -0.528 31.406 31.823 0.185 0.000 0.646 408 V HN 0.283 nan 8.190 nan 0.000 0.447 409 F N 1.602 121.584 119.950 0.053 0.000 2.171 409 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 409 F C 2.069 177.899 175.800 0.050 0.000 1.090 409 F CA 1.973 59.978 58.000 0.009 0.000 1.293 409 F CB -0.326 38.668 39.000 -0.010 0.000 1.013 409 F HN 0.236 nan 8.300 nan 0.000 0.486 410 D N -0.024 120.427 120.400 0.085 0.000 2.224 410 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 410 D C 1.354 177.637 176.300 -0.029 0.000 0.965 410 D CA 1.072 55.068 54.000 -0.006 0.000 0.852 410 D CB -0.516 40.350 40.800 0.110 0.000 0.947 410 D HN 0.338 nan 8.370 nan 0.000 0.494 411 D N 0.759 121.180 120.400 0.034 0.000 2.352 411 D HA -0.040 4.600 4.640 -0.000 0.000 0.232 411 D C 0.373 176.669 176.300 -0.008 0.000 1.055 411 D CA 0.218 54.254 54.000 0.060 0.000 0.891 411 D CB 0.144 41.036 40.800 0.154 0.000 0.897 411 D HN -0.024 nan 8.370 nan 0.000 0.529 412 K N -1.103 119.235 120.400 -0.102 0.000 3.129 412 K HA -0.176 4.144 4.320 -0.000 0.000 0.273 412 K C 0.052 176.617 176.600 -0.059 0.000 1.123 412 K CA 0.592 56.807 56.287 -0.120 0.000 0.800 412 K CB -2.504 29.953 32.500 -0.072 0.000 1.238 412 K HN 0.277 nan 8.250 nan 0.000 0.492 413 A N 0.868 123.663 122.820 -0.041 0.000 2.322 413 A HA 0.476 4.796 4.320 -0.000 0.000 0.269 413 A C 0.279 177.861 177.584 -0.004 0.000 1.094 413 A CA -0.325 51.714 52.037 0.002 0.000 0.807 413 A CB 0.627 19.647 19.000 0.033 0.000 1.047 413 A HN 0.160 nan 8.150 nan 0.000 0.487 414 K N 1.411 121.824 120.400 0.022 0.000 2.262 414 K HA 0.522 4.842 4.320 -0.000 0.000 0.282 414 K C -1.053 175.560 176.600 0.022 0.000 1.066 414 K CA 0.247 56.564 56.287 0.050 0.000 0.901 414 K CB -0.023 32.517 32.500 0.068 0.000 1.089 414 K HN 0.561 nan 8.250 nan 0.000 0.476 415 L N 3.236 124.460 121.223 0.002 0.000 2.322 415 L HA 0.593 4.933 4.340 -0.000 0.000 0.279 415 L C 0.329 177.284 176.870 0.141 0.000 1.036 415 L CA -1.285 53.503 54.840 -0.086 0.000 0.807 415 L CB 1.771 43.503 42.059 -0.546 0.000 1.226 415 L HN 0.671 nan 8.230 nan 0.000 0.433 416 A N 3.858 126.741 122.820 0.105 0.000 2.386 416 A HA 0.467 4.787 4.320 -0.000 0.000 0.248 416 A C -2.239 175.511 177.584 0.277 0.000 1.082 416 A CA -1.182 50.948 52.037 0.155 0.000 0.789 416 A CB -0.434 18.606 19.000 0.067 0.000 1.025 416 A HN 0.481 nan 8.150 nan 0.000 0.490 417 P HA 0.207 nan 4.420 nan 0.000 0.265 417 P C 0.735 178.138 177.300 0.171 0.000 1.222 417 P CA 1.503 64.713 63.100 0.184 0.000 0.767 417 P CB 0.465 32.215 31.700 0.083 0.000 0.801 418 G N 2.260 111.197 108.800 0.229 0.000 2.211 418 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.201 418 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.201 418 G C 0.206 175.255 174.900 0.248 0.000 0.997 418 G CA -0.345 44.882 45.100 0.210 0.000 0.652 418 G HN 0.542 nan 8.290 nan 0.000 0.500 419 T N 3.398 118.094 114.554 0.236 0.000 2.853 419 T HA 0.462 4.812 4.350 -0.000 0.000 0.298 419 T C 0.895 175.616 174.700 0.035 0.000 0.978 419 T CA 0.211 62.374 62.100 0.105 0.000 1.152 419 T CB 0.915 69.759 68.868 -0.040 0.000 0.914 419 T HN 0.262 nan 8.240 nan 0.000 0.539 420 I N 3.657 124.193 120.570 -0.057 0.000 2.472 420 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 420 I C 0.244 176.227 176.117 -0.224 0.000 1.016 420 I CA -0.698 60.492 61.300 -0.185 0.000 1.348 420 I CB 0.943 38.724 38.000 -0.365 0.000 1.417 420 I HN 0.279 nan 8.210 nan 0.000 0.521 421 V N 4.954 124.735 119.914 -0.221 0.000 2.540 421 V HA 0.337 4.457 4.120 -0.000 0.000 0.302 421 V C -0.011 175.991 176.094 -0.153 0.000 1.035 421 V CA -0.751 61.434 62.300 -0.193 0.000 0.873 421 V CB 2.062 33.739 31.823 -0.244 0.000 0.992 421 V HN 0.750 nan 8.190 nan 0.000 0.428 422 E N 3.300 123.474 120.200 -0.043 0.000 2.114 422 E HA 0.502 4.852 4.350 -0.000 0.000 0.266 422 E C -1.241 175.570 176.600 0.351 0.000 0.896 422 E CA -0.462 55.988 56.400 0.084 0.000 0.750 422 E CB 1.736 31.443 29.700 0.012 0.000 1.121 422 E HN 0.520 nan 8.360 nan 0.000 0.413 423 V N 6.863 126.910 119.914 0.221 0.000 2.488 423 V HA 0.117 4.237 4.120 -0.000 0.000 0.277 423 V C 0.552 176.838 176.094 0.320 0.000 1.046 423 V CA -0.051 62.374 62.300 0.208 0.000 0.986 423 V CB 0.478 32.337 31.823 0.059 0.000 0.989 423 V HN 0.847 nan 8.190 nan 0.000 0.475 424 W N 3.173 124.556 121.300 0.139 0.000 2.355 424 W HA 0.393 5.053 4.660 -0.000 0.000 0.303 424 W C -0.051 176.352 176.519 -0.192 0.000 0.939 424 W CA -0.691 56.683 57.345 0.047 0.000 1.377 424 W CB 0.189 29.783 29.460 0.223 0.000 1.048 424 W HN 0.338 nan 8.180 nan 0.000 0.542 425 K N 2.166 122.171 120.400 -0.658 0.000 2.174 425 K HA 0.092 4.412 4.320 -0.000 0.000 0.275 425 K C 0.565 177.004 176.600 -0.268 0.000 1.015 425 K CA -0.409 55.490 56.287 -0.647 0.000 0.933 425 K CB 1.737 33.804 32.500 -0.722 0.000 1.025 425 K HN -0.310 nan 8.250 nan 0.000 0.463 426 D N 0.748 121.033 120.400 -0.192 0.000 2.091 426 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 426 D C 0.272 176.619 176.300 0.078 0.000 0.980 426 D CA 0.994 54.996 54.000 0.003 0.000 0.831 426 D CB -0.216 40.567 40.800 -0.028 0.000 0.987 426 D HN 0.582 nan 8.370 nan 0.000 0.460 427 S N 0.753 116.433 115.700 -0.034 0.000 2.946 427 S HA 0.189 4.659 4.470 -0.000 0.000 0.349 427 S C 0.676 175.259 174.600 -0.028 0.000 1.189 427 S CA 0.046 58.223 58.200 -0.037 0.000 1.285 427 S CB -0.189 62.971 63.200 -0.066 0.000 1.010 427 S HN 0.447 nan 8.310 nan 0.000 0.538 428 A N 2.639 125.430 122.820 -0.048 0.000 2.312 428 A HA -0.203 4.117 4.320 -0.000 0.000 0.286 428 A C 0.478 178.018 177.584 -0.073 0.000 1.425 428 A CA 1.092 53.072 52.037 -0.095 0.000 0.748 428 A CB -2.629 16.334 19.000 -0.061 0.000 1.126 428 A HN 1.853 nan 8.150 nan 0.000 0.368 429 Y N -1.020 119.229 120.300 -0.084 0.000 2.420 429 Y HA 0.253 4.803 4.550 -0.000 0.000 0.292 429 Y C -0.615 175.228 175.900 -0.096 0.000 1.119 429 Y CA 0.216 58.256 58.100 -0.100 0.000 1.229 429 Y CB -1.318 37.070 38.460 -0.120 0.000 1.026 429 Y HN 0.398 nan 8.280 nan 0.000 0.554 430 P HA -0.108 nan 4.420 nan 0.000 0.220 430 P C 1.146 178.399 177.300 -0.079 0.000 1.148 430 P CA 1.714 64.669 63.100 -0.242 0.000 0.803 430 P CB 0.118 31.659 31.700 -0.266 0.000 0.782 431 E N -0.219 119.941 120.200 -0.067 0.000 2.152 431 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 431 E C 1.854 178.467 176.600 0.022 0.000 0.983 431 E CA 0.844 57.247 56.400 0.004 0.000 0.818 431 E CB -0.604 29.094 29.700 -0.002 0.000 0.758 431 E HN 0.367 nan 8.360 nan 0.000 0.467 432 E N 0.988 121.190 120.200 0.004 0.000 2.051 432 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 432 E C 2.422 178.990 176.600 -0.053 0.000 0.991 432 E CA 0.471 56.884 56.400 0.021 0.000 0.799 432 E CB -0.239 29.477 29.700 0.028 0.000 0.748 432 E HN 0.277 nan 8.360 nan 0.000 0.449 433 L N 0.873 122.001 121.223 -0.159 0.000 2.042 433 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 433 L C 2.565 179.288 176.870 -0.244 0.000 1.076 433 L CA 1.106 55.714 54.840 -0.386 0.000 0.749 433 L CB -0.497 40.984 42.059 -0.964 0.000 0.893 433 L HN 0.027 nan 8.230 nan 0.000 0.432 434 S N -0.361 115.327 115.700 -0.020 0.000 2.348 434 S HA -0.175 4.295 4.470 -0.000 0.000 0.221 434 S C 2.047 176.740 174.600 0.155 0.000 1.033 434 S CA 1.238 59.575 58.200 0.227 0.000 1.010 434 S CB -0.261 63.077 63.200 0.231 0.000 0.891 434 S HN 0.365 nan 8.310 nan 0.000 0.442 435 R N 0.435 121.013 120.500 0.130 0.000 2.073 435 R HA -0.059 4.281 4.340 -0.000 0.000 0.234 435 R C 2.283 178.699 176.300 0.194 0.000 1.134 435 R CA 1.380 57.606 56.100 0.210 0.000 0.952 435 R CB -0.714 29.767 30.300 0.303 0.000 0.850 435 R HN 0.260 nan 8.270 nan 0.000 0.433 436 V N 0.889 120.758 119.914 -0.074 0.000 2.307 436 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 436 V C 2.582 178.661 176.094 -0.025 0.000 1.045 436 V CA 2.342 64.430 62.300 -0.353 0.000 1.024 436 V CB -0.832 30.677 31.823 -0.522 0.000 0.651 436 V HN 0.572 nan 8.190 nan 0.000 0.449 437 T N -1.009 113.570 114.554 0.043 0.000 2.867 437 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 437 T C 1.917 176.686 174.700 0.114 0.000 1.057 437 T CA 1.323 63.494 62.100 0.118 0.000 1.136 437 T CB -0.434 68.578 68.868 0.240 0.000 0.874 437 T HN 0.454 nan 8.240 nan 0.000 0.466 438 A N 1.718 124.619 122.820 0.135 0.000 1.933 438 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 438 A C 2.576 180.221 177.584 0.103 0.000 1.175 438 A CA 1.700 53.809 52.037 0.121 0.000 0.628 438 A CB -0.937 18.147 19.000 0.140 0.000 0.814 438 A HN 0.525 nan 8.150 nan 0.000 0.444 439 S N -1.547 114.249 115.700 0.160 0.000 2.607 439 S HA 0.311 4.781 4.470 -0.000 0.000 0.224 439 S C 1.400 175.905 174.600 -0.158 0.000 0.969 439 S CA 0.904 59.192 58.200 0.147 0.000 0.927 439 S CB -0.119 63.390 63.200 0.515 0.000 0.772 439 S HN 1.638 nan 8.310 nan 0.000 0.533 440 G N 0.767 109.491 108.800 -0.126 0.000 2.141 440 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.242 440 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.242 440 G C -0.137 174.566 174.900 -0.328 0.000 0.982 440 G CA -0.356 44.604 45.100 -0.234 0.000 0.662 440 G HN 0.412 nan 8.290 nan 0.000 0.527 441 F N 0.965 120.923 119.950 0.014 0.000 2.421 441 F HA 0.567 5.094 4.527 -0.000 0.000 0.337 441 F C -1.653 174.111 175.800 -0.062 0.000 1.105 441 F CA -2.723 55.262 58.000 -0.024 0.000 1.049 441 F CB 1.452 40.420 39.000 -0.054 0.000 1.139 441 F HN -0.177 nan 8.300 nan 0.000 0.479 442 P HA 0.148 nan 4.420 nan 0.000 0.269 442 P C -0.964 176.284 177.300 -0.086 0.000 1.209 442 P CA -0.056 63.050 63.100 0.010 0.000 0.776 442 P CB 1.130 32.820 31.700 -0.016 0.000 0.876 443 V N 4.077 123.888 119.914 -0.171 0.000 2.876 443 V HA 0.583 4.703 4.120 -0.000 0.000 0.312 443 V C -1.020 174.768 176.094 -0.511 0.000 1.085 443 V CA -0.924 61.210 62.300 -0.276 0.000 0.945 443 V CB 1.733 33.437 31.823 -0.198 0.000 1.017 443 V HN 0.317 nan 8.190 nan 0.000 0.428 444 I N 5.321 125.622 120.570 -0.447 0.000 2.608 444 I HA 0.464 4.634 4.170 -0.000 0.000 0.295 444 I C -1.238 174.729 176.117 -0.250 0.000 1.049 444 I CA -0.824 60.180 61.300 -0.494 0.000 1.063 444 I CB 2.013 39.753 38.000 -0.434 0.000 1.248 444 I HN 0.467 nan 8.210 nan 0.000 0.424 445 L N 5.150 126.273 121.223 -0.166 0.000 2.317 445 L HA 0.535 4.875 4.340 -0.000 0.000 0.281 445 L C 0.495 177.499 176.870 0.223 0.000 1.024 445 L CA 0.588 55.467 54.840 0.066 0.000 0.810 445 L CB 1.626 43.795 42.059 0.182 0.000 1.240 445 L HN 0.725 nan 8.230 nan 0.000 0.427 446 S N 1.870 117.701 115.700 0.218 0.000 2.760 446 S HA 0.241 4.711 4.470 -0.000 0.000 0.263 446 S C 1.216 176.010 174.600 0.324 0.000 1.007 446 S CA 0.170 58.611 58.200 0.402 0.000 1.358 446 S CB -0.249 63.269 63.200 0.530 0.000 1.228 446 S HN 0.714 nan 8.310 nan 0.000 0.684 447 A N 3.714 126.506 122.820 -0.047 0.000 1.851 447 A HA 0.097 4.417 4.320 -0.000 0.000 0.216 447 A C 0.144 177.526 177.584 -0.337 0.000 1.195 447 A CA 1.995 53.847 52.037 -0.308 0.000 0.622 447 A CB -1.763 16.826 19.000 -0.685 0.000 0.831 447 A HN 0.594 nan 8.150 nan 0.000 0.444 448 P HA -0.032 nan 4.420 nan 0.000 0.241 448 P C -0.162 177.144 177.300 0.010 0.000 1.191 448 P CA 0.471 63.367 63.100 -0.339 0.000 0.771 448 P CB -0.011 31.348 31.700 -0.569 0.000 0.929 449 W N -0.067 121.371 121.300 0.230 0.000 2.102 449 W HA 0.267 4.927 4.660 -0.000 0.000 0.357 449 W C -0.498 176.138 176.519 0.194 0.000 0.717 449 W CA -0.754 56.682 57.345 0.152 0.000 2.518 449 W CB -0.752 28.749 29.460 0.069 0.000 2.010 449 W HN -0.078 nan 8.180 nan 0.000 0.672 450 Y N 1.516 121.953 120.300 0.228 0.000 2.714 450 Y HA 0.146 4.696 4.550 -0.000 0.000 0.333 450 Y C 1.534 177.517 175.900 0.139 0.000 1.220 450 Y CA -0.382 57.833 58.100 0.192 0.000 1.513 450 Y CB -0.176 38.432 38.460 0.247 0.000 1.435 450 Y HN -0.019 nan 8.280 nan 0.000 0.489 451 L N 0.876 122.112 121.223 0.022 0.000 2.353 451 L HA -0.190 4.150 4.340 -0.000 0.000 0.220 451 L C 1.949 178.850 176.870 0.052 0.000 1.133 451 L CA 1.124 55.936 54.840 -0.046 0.000 0.798 451 L CB -0.222 41.689 42.059 -0.248 0.000 0.922 451 L HN 0.496 nan 8.230 nan 0.000 0.445 452 D N 1.111 121.551 120.400 0.065 0.000 2.219 452 D HA -0.172 4.468 4.640 -0.000 0.000 0.205 452 D C 1.083 177.487 176.300 0.173 0.000 0.970 452 D CA 0.669 54.737 54.000 0.114 0.000 0.851 452 D CB -0.303 40.597 40.800 0.167 0.000 0.943 452 D HN 0.314 nan 8.370 nan 0.000 0.488 453 L N 2.425 123.786 121.223 0.229 0.000 2.404 453 L HA 0.252 4.592 4.340 -0.000 0.000 0.277 453 L C 0.671 177.660 176.870 0.198 0.000 1.184 453 L CA -0.599 54.368 54.840 0.213 0.000 1.013 453 L CB -0.277 41.932 42.059 0.250 0.000 1.318 453 L HN 0.064 nan 8.230 nan 0.000 0.435 454 I N 0.135 120.792 120.570 0.144 0.000 2.764 454 I HA 0.630 4.800 4.170 -0.000 0.000 0.294 454 I C 0.433 176.624 176.117 0.123 0.000 1.045 454 I CA -0.087 61.297 61.300 0.139 0.000 1.340 454 I CB 1.469 39.529 38.000 0.101 0.000 1.436 454 I HN 0.519 nan 8.210 nan 0.000 0.567 455 S N 2.825 118.604 115.700 0.132 0.000 2.596 455 S HA 0.385 4.855 4.470 -0.000 0.000 0.270 455 S C -1.032 173.662 174.600 0.156 0.000 1.155 455 S CA -0.844 57.434 58.200 0.129 0.000 0.827 455 S CB 1.065 64.328 63.200 0.104 0.000 1.130 455 S HN 0.736 nan 8.310 nan 0.000 0.467 456 Y N 1.911 122.242 120.300 0.051 0.000 2.442 456 Y HA 0.510 5.060 4.550 -0.000 0.000 0.330 456 Y C 0.803 176.744 175.900 0.068 0.000 1.129 456 Y CA 1.887 60.022 58.100 0.058 0.000 1.365 456 Y CB -0.045 38.442 38.460 0.045 0.000 1.233 456 Y HN 1.591 nan 8.280 nan 0.000 0.529 457 G N 4.585 113.044 108.800 -0.569 0.000 2.466 457 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.316 457 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.316 457 G C -1.197 173.645 174.900 -0.098 0.000 1.270 457 G CA -0.765 44.088 45.100 -0.412 0.000 0.982 457 G HN 0.693 nan 8.290 nan 0.000 0.506 458 Q N 1.205 120.985 119.800 -0.034 0.000 3.027 458 Q HA 0.212 4.552 4.340 -0.000 0.000 0.260 458 Q C 0.665 176.595 176.000 -0.116 0.000 1.379 458 Q CA 0.236 56.085 55.803 0.076 0.000 1.038 458 Q CB 0.266 29.057 28.738 0.088 0.000 1.578 458 Q HN 0.626 nan 8.270 nan 0.000 0.571 459 D N 0.794 121.193 120.400 -0.001 0.000 2.363 459 D HA -0.176 4.464 4.640 -0.000 0.000 0.220 459 D C 1.296 177.521 176.300 -0.124 0.000 0.994 459 D CA 0.070 53.999 54.000 -0.119 0.000 0.890 459 D CB -0.251 40.512 40.800 -0.061 0.000 0.906 459 D HN 0.703 nan 8.370 nan 0.000 0.530 460 W N 1.729 123.100 121.300 0.118 0.000 2.421 460 W HA -0.001 4.659 4.660 0.000 0.000 0.270 460 W C 1.214 177.892 176.519 0.265 0.000 1.233 460 W CA -0.029 57.492 57.345 0.293 0.000 1.226 460 W CB -0.686 28.917 29.460 0.237 0.000 1.121 460 W HN -0.048 nan 8.180 nan 0.000 0.579 461 R N 1.169 121.242 120.500 -0.712 0.000 2.115 461 R HA -0.082 4.258 4.340 -0.000 0.000 0.226 461 R C 2.319 178.526 176.300 -0.155 0.000 1.100 461 R CA 1.542 57.245 56.100 -0.662 0.000 0.980 461 R CB -0.432 29.381 30.300 -0.812 0.000 0.875 461 R HN 0.125 nan 8.270 nan 0.000 0.445 462 K N 0.303 120.575 120.400 -0.214 0.000 2.057 462 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 462 K C 1.459 178.091 176.600 0.053 0.000 1.049 462 K CA 1.434 57.627 56.287 -0.158 0.000 0.931 462 K CB -0.015 32.286 32.500 -0.333 0.000 0.714 462 K HN 0.113 nan 8.250 nan 0.000 0.440 463 Y N -1.108 119.411 120.300 0.364 0.000 2.314 463 Y HA -0.129 4.421 4.550 -0.000 0.000 0.293 463 Y C 2.061 178.348 175.900 0.645 0.000 1.129 463 Y CA 0.794 59.260 58.100 0.610 0.000 1.201 463 Y CB -0.708 38.107 38.460 0.592 0.000 0.999 463 Y HN 0.169 nan 8.280 nan 0.000 0.541 464 Y N 0.955 121.562 120.300 0.511 0.000 2.314 464 Y HA -0.072 4.478 4.550 -0.000 0.000 0.293 464 Y C 1.966 178.066 175.900 0.333 0.000 1.129 464 Y CA 1.281 59.651 58.100 0.450 0.000 1.201 464 Y CB -0.064 38.676 38.460 0.466 0.000 0.999 464 Y HN -0.068 nan 8.280 nan 0.000 0.541 465 K N -0.120 120.488 120.400 0.347 0.000 2.365 465 K HA 0.023 4.343 4.320 -0.000 0.000 0.199 465 K C 0.221 176.928 176.600 0.179 0.000 1.045 465 K CA 0.253 56.667 56.287 0.210 0.000 0.962 465 K CB -0.008 32.577 32.500 0.142 0.000 0.759 465 K HN -0.018 nan 8.250 nan 0.000 0.469 466 V N 2.589 122.662 119.914 0.264 0.000 2.540 466 V HA -0.058 4.062 4.120 -0.000 0.000 0.297 466 V C 0.076 176.307 176.094 0.228 0.000 1.024 466 V CA 0.235 62.672 62.300 0.228 0.000 1.105 466 V CB 0.755 32.707 31.823 0.215 0.000 0.938 466 V HN 0.167 nan 8.190 nan 0.000 0.482 467 E N 8.569 128.858 120.200 0.149 0.000 2.141 467 E HA 0.383 4.733 4.350 -0.000 0.000 0.259 467 E C -1.649 175.019 176.600 0.114 0.000 0.883 467 E CA -2.106 54.376 56.400 0.137 0.000 0.744 467 E CB 1.723 31.473 29.700 0.085 0.000 1.150 467 E HN 0.336 nan 8.360 nan 0.000 0.420 468 P HA -0.155 nan 4.420 nan 0.000 0.215 468 P C 0.797 178.022 177.300 -0.126 0.000 1.157 468 P CA 0.991 64.061 63.100 -0.051 0.000 0.868 468 P CB 0.241 31.854 31.700 -0.146 0.000 0.788 469 L N 0.129 121.313 121.223 -0.065 0.000 2.747 469 L HA 0.061 4.401 4.340 -0.000 0.000 0.248 469 L C -0.008 176.820 176.870 -0.070 0.000 1.191 469 L CA 0.291 55.103 54.840 -0.047 0.000 1.003 469 L CB -0.883 41.140 42.059 -0.059 0.000 1.235 469 L HN -0.178 nan 8.230 nan 0.000 0.426 470 D N 1.366 121.821 120.400 0.091 0.000 2.638 470 D HA 0.337 4.977 4.640 -0.000 0.000 0.245 470 D C -0.529 175.861 176.300 0.150 0.000 1.176 470 D CA 0.127 54.150 54.000 0.038 0.000 0.996 470 D CB 0.132 40.950 40.800 0.029 0.000 1.012 470 D HN 0.081 nan 8.370 nan 0.000 0.515 471 F N -2.000 117.906 119.950 -0.073 0.000 2.678 471 F HA 0.610 5.137 4.527 -0.000 0.000 0.308 471 F C 0.205 175.984 175.800 -0.034 0.000 1.118 471 F CA -1.769 56.195 58.000 -0.060 0.000 0.959 471 F CB 0.491 39.462 39.000 -0.048 0.000 1.305 471 F HN -0.011 nan 8.300 nan 0.000 0.443 472 G N 0.407 109.247 108.800 0.066 0.000 2.380 472 G HA2 0.508 4.468 3.960 -0.000 0.000 0.242 472 G HA3 0.508 4.468 3.960 -0.000 0.000 0.242 472 G C -0.049 174.849 174.900 -0.004 0.000 1.298 472 G CA 0.247 45.342 45.100 -0.008 0.000 0.878 472 G HN 1.809 nan 8.290 nan 0.000 0.542 473 G N 0.428 109.177 108.800 -0.086 0.000 2.358 473 G HA2 0.552 4.512 3.960 -0.000 0.000 0.303 473 G HA3 0.552 4.512 3.960 -0.000 0.000 0.303 473 G C -0.193 174.655 174.900 -0.086 0.000 1.537 473 G CA 0.045 45.117 45.100 -0.047 0.000 0.928 473 G HN 1.280 nan 8.290 nan 0.000 0.656 474 T N -1.548 112.988 114.554 -0.031 0.000 2.726 474 T HA 0.333 4.683 4.350 -0.000 0.000 0.294 474 T C 1.393 176.066 174.700 -0.044 0.000 1.013 474 T CA 0.535 62.615 62.100 -0.033 0.000 0.996 474 T CB 1.107 69.971 68.868 -0.006 0.000 1.016 474 T HN 0.609 nan 8.240 nan 0.000 0.529 475 Q N -0.322 119.456 119.800 -0.036 0.000 2.291 475 Q HA -0.029 4.311 4.340 -0.000 0.000 0.205 475 Q C 2.208 178.207 176.000 -0.001 0.000 0.970 475 Q CA 0.647 56.432 55.803 -0.031 0.000 0.876 475 Q CB -0.066 28.655 28.738 -0.027 0.000 0.935 475 Q HN 0.538 nan 8.270 nan 0.000 0.455 476 K N 1.168 121.574 120.400 0.010 0.000 2.228 476 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 476 K C 1.577 178.209 176.600 0.054 0.000 1.051 476 K CA 1.019 57.322 56.287 0.027 0.000 0.960 476 K CB 0.277 32.789 32.500 0.020 0.000 0.743 476 K HN 0.314 nan 8.250 nan 0.000 0.458 477 Q N -0.049 119.788 119.800 0.061 0.000 2.311 477 Q HA -0.030 4.310 4.340 -0.000 0.000 0.203 477 Q C 1.614 177.727 176.000 0.188 0.000 0.954 477 Q CA 0.662 56.537 55.803 0.121 0.000 0.885 477 Q CB 0.218 29.037 28.738 0.135 0.000 0.963 477 Q HN 0.054 nan 8.270 nan 0.000 0.471 478 K N 0.587 121.058 120.400 0.117 0.000 2.217 478 K HA -0.102 4.218 4.320 -0.000 0.000 0.202 478 K C 1.777 178.518 176.600 0.235 0.000 1.051 478 K CA 0.882 57.265 56.287 0.160 0.000 0.952 478 K CB 0.102 32.612 32.500 0.016 0.000 0.736 478 K HN 0.136 nan 8.250 nan 0.000 0.453 479 Q N 0.544 120.442 119.800 0.163 0.000 2.297 479 Q HA 0.079 4.419 4.340 -0.000 0.000 0.204 479 Q C 1.848 177.958 176.000 0.182 0.000 0.962 479 Q CA 0.592 56.488 55.803 0.156 0.000 0.879 479 Q CB -0.075 28.718 28.738 0.093 0.000 0.947 479 Q HN 0.236 nan 8.270 nan 0.000 0.462 480 L N -1.106 120.233 121.223 0.193 0.000 2.376 480 L HA 0.021 4.361 4.340 -0.000 0.000 0.219 480 L C 0.399 177.377 176.870 0.181 0.000 1.133 480 L CA -0.188 54.747 54.840 0.158 0.000 0.816 480 L CB -0.079 42.060 42.059 0.134 0.000 0.933 480 L HN 0.161 nan 8.230 nan 0.000 0.449 481 F N 1.808 121.850 119.950 0.153 0.000 2.438 481 F HA 0.132 4.659 4.527 -0.000 0.000 0.360 481 F C 1.241 177.138 175.800 0.162 0.000 1.118 481 F CA -0.452 57.629 58.000 0.136 0.000 1.164 481 F CB 0.466 39.612 39.000 0.242 0.000 1.131 481 F HN -0.058 nan 8.300 nan 0.000 0.527 482 I N 2.593 123.068 120.570 -0.157 0.000 3.941 482 I HA 0.599 4.769 4.170 -0.000 0.000 0.321 482 I C 0.847 176.963 176.117 -0.001 0.000 1.284 482 I CA 0.431 61.744 61.300 0.022 0.000 1.226 482 I CB -0.321 37.649 38.000 -0.050 0.000 1.045 482 I HN 0.643 nan 8.210 nan 0.000 0.420 483 G N 0.422 108.938 108.800 -0.473 0.000 2.356 483 G HA2 0.420 4.380 3.960 -0.000 0.000 0.266 483 G HA3 0.420 4.380 3.960 -0.000 0.000 0.266 483 G C -0.957 173.744 174.900 -0.331 0.000 1.312 483 G CA -0.279 44.610 45.100 -0.352 0.000 0.922 483 G HN 0.571 nan 8.290 nan 0.000 0.480 484 G N -1.350 107.486 108.800 0.060 0.000 2.663 484 G HA2 0.712 4.672 3.960 -0.000 0.000 0.299 484 G HA3 0.712 4.672 3.960 -0.000 0.000 0.299 484 G C -1.743 173.347 174.900 0.317 0.000 1.372 484 G CA -0.207 45.043 45.100 0.251 0.000 0.781 484 G HN 0.673 nan 8.290 nan 0.000 0.491 485 E N -1.175 119.241 120.200 0.361 0.000 2.356 485 E HA 0.573 4.923 4.350 -0.000 0.000 0.275 485 E C -0.831 175.898 176.600 0.215 0.000 0.904 485 E CA -0.978 55.571 56.400 0.248 0.000 0.757 485 E CB 2.629 32.446 29.700 0.196 0.000 1.232 485 E HN 0.711 nan 8.360 nan 0.000 0.442 486 A N 1.882 124.705 122.820 0.006 0.000 2.249 486 A HA 0.462 4.782 4.320 -0.000 0.000 0.314 486 A C -0.480 176.939 177.584 -0.276 0.000 1.290 486 A CA -0.515 51.459 52.037 -0.106 0.000 0.893 486 A CB -0.004 18.837 19.000 -0.266 0.000 1.165 486 A HN 0.634 nan 8.150 nan 0.000 0.530 487 C N 2.380 121.493 119.300 -0.312 0.000 2.350 487 C HA 0.579 5.039 4.460 -0.000 0.000 0.348 487 C C 0.201 174.810 174.990 -0.636 0.000 1.260 487 C CA -0.341 58.285 59.018 -0.652 0.000 1.966 487 C CB 0.419 27.578 27.740 -0.969 0.000 2.380 487 C HN 0.793 nan 8.230 nan 0.000 0.535 488 L N 3.785 124.591 121.223 -0.695 0.000 2.495 488 L HA 0.455 4.795 4.340 -0.000 0.000 0.248 488 L C -0.860 175.750 176.870 -0.432 0.000 1.229 488 L CA -0.219 54.348 54.840 -0.455 0.000 0.942 488 L CB -0.190 41.645 42.059 -0.374 0.000 1.242 488 L HN 0.794 nan 8.230 nan 0.000 0.484 489 W N 2.371 123.505 121.300 -0.277 0.000 2.193 489 W HA 0.415 5.075 4.660 -0.000 0.000 0.338 489 W C 1.455 177.914 176.519 -0.099 0.000 1.310 489 W CA -0.006 57.197 57.345 -0.237 0.000 1.243 489 W CB 0.767 30.061 29.460 -0.276 0.000 1.165 489 W HN 0.636 nan 8.180 nan 0.000 0.566 490 G N 1.513 110.423 108.800 0.184 0.000 3.702 490 G HA2 0.044 4.004 3.960 -0.000 0.000 0.288 490 G HA3 0.044 4.004 3.960 -0.000 0.000 0.288 490 G C 0.782 175.838 174.900 0.260 0.000 1.193 490 G CA -0.271 44.946 45.100 0.195 0.000 0.952 490 G HN 0.486 nan 8.290 nan 0.000 0.544 491 E N -0.015 120.259 120.200 0.123 0.000 2.160 491 E HA -0.095 4.254 4.350 -0.000 0.000 0.195 491 E C 0.319 176.725 176.600 -0.324 0.000 0.991 491 E CA 1.172 57.486 56.400 -0.144 0.000 0.810 491 E CB -0.094 29.440 29.700 -0.277 0.000 0.742 491 E HN 0.680 nan 8.360 nan 0.000 0.466 492 Y N -1.692 118.717 120.300 0.182 0.000 2.768 492 Y HA 0.340 4.890 4.550 -0.000 0.000 0.249 492 Y C -0.723 175.156 175.900 -0.034 0.000 1.146 492 Y CA -0.486 57.666 58.100 0.086 0.000 1.171 492 Y CB 1.062 39.561 38.460 0.065 0.000 1.249 492 Y HN -0.266 nan 8.280 nan 0.000 0.567 493 V N 2.072 122.013 119.914 0.044 0.000 2.525 493 V HA 0.449 4.569 4.120 -0.000 0.000 0.299 493 V C -0.767 175.245 176.094 -0.137 0.000 1.034 493 V CA -0.651 61.625 62.300 -0.040 0.000 0.863 493 V CB 1.776 33.605 31.823 0.010 0.000 0.999 493 V HN 0.330 nan 8.190 nan 0.000 0.423 494 D N 4.301 124.592 120.400 -0.181 0.000 2.989 494 D HA 0.505 5.145 4.640 -0.000 0.000 0.284 494 D C 1.087 177.350 176.300 -0.062 0.000 1.212 494 D CA 0.070 54.001 54.000 -0.116 0.000 1.055 494 D CB 1.400 42.088 40.800 -0.187 0.000 1.351 494 D HN 0.417 nan 8.370 nan 0.000 0.611 495 A N -0.625 122.176 122.820 -0.031 0.000 2.070 495 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 495 A C 1.917 179.487 177.584 -0.023 0.000 1.159 495 A CA 2.664 54.686 52.037 -0.024 0.000 0.656 495 A CB -1.369 17.625 19.000 -0.009 0.000 0.800 495 A HN 0.706 nan 8.150 nan 0.000 0.453 496 T N -1.501 113.035 114.554 -0.030 0.000 2.985 496 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 496 T C 1.082 175.770 174.700 -0.019 0.000 1.076 496 T CA 1.286 63.373 62.100 -0.021 0.000 1.135 496 T CB -0.280 68.573 68.868 -0.024 0.000 0.890 496 T HN 0.640 nan 8.240 nan 0.000 0.480 497 N N -0.115 118.567 118.700 -0.030 0.000 2.116 497 N HA 0.199 4.939 4.740 -0.000 0.000 0.230 497 N C 1.163 176.654 175.510 -0.031 0.000 1.326 497 N CA -0.239 52.799 53.050 -0.021 0.000 0.867 497 N CB -0.473 38.005 38.487 -0.015 0.000 1.174 497 N HN 0.400 nan 8.380 nan 0.000 0.506 498 L N 0.917 122.115 121.223 -0.042 0.000 1.976 498 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 498 L C 1.723 178.555 176.870 -0.064 0.000 1.071 498 L CA 1.826 56.625 54.840 -0.069 0.000 0.746 498 L CB -0.700 41.314 42.059 -0.075 0.000 0.890 498 L HN 0.064 nan 8.230 nan 0.000 0.432 499 T N 0.489 115.049 114.554 0.010 0.000 2.635 499 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 499 T C -0.579 174.189 174.700 0.114 0.000 1.040 499 T CA 2.019 64.193 62.100 0.123 0.000 1.156 499 T CB -1.323 67.629 68.868 0.141 0.000 0.863 499 T HN 0.340 nan 8.240 nan 0.000 0.430 500 P HA -0.026 nan 4.420 nan 0.000 0.216 500 P C 1.478 178.784 177.300 0.010 0.000 1.153 500 P CA 1.075 64.201 63.100 0.044 0.000 0.848 500 P CB -0.036 31.679 31.700 0.025 0.000 0.787 501 R N -0.660 119.822 120.500 -0.029 0.000 2.148 501 R HA 0.012 4.352 4.340 -0.000 0.000 0.223 501 R C 2.153 178.370 176.300 -0.139 0.000 1.088 501 R CA 0.706 56.776 56.100 -0.049 0.000 0.985 501 R CB -0.698 29.577 30.300 -0.042 0.000 0.880 501 R HN 0.171 nan 8.270 nan 0.000 0.451 502 L N -0.391 120.664 121.223 -0.281 0.000 2.084 502 L HA 0.066 4.406 4.340 -0.000 0.000 0.202 502 L C -0.108 176.358 176.870 -0.672 0.000 1.074 502 L CA 0.671 55.134 54.840 -0.628 0.000 0.757 502 L CB 0.099 41.570 42.059 -0.979 0.000 0.918 502 L HN 0.113 nan 8.230 nan 0.000 0.444 503 W N -0.327 120.938 121.300 -0.058 0.000 2.512 503 W HA 0.362 5.022 4.660 -0.000 0.000 0.335 503 W C -1.825 174.652 176.519 -0.069 0.000 1.088 503 W CA -1.743 55.566 57.345 -0.061 0.000 1.236 503 W CB 0.084 29.501 29.460 -0.071 0.000 1.307 503 W HN -0.123 nan 8.180 nan 0.000 0.567 504 P HA 0.166 nan 4.420 nan 0.000 0.254 504 P C 0.695 178.058 177.300 0.105 0.000 1.620 504 P CA -0.026 63.152 63.100 0.130 0.000 1.050 504 P CB 0.292 31.915 31.700 -0.128 0.000 1.539 505 R N 0.284 120.852 120.500 0.114 0.000 2.115 505 R HA 0.041 4.381 4.340 -0.000 0.000 0.230 505 R C 2.006 178.400 176.300 0.155 0.000 1.111 505 R CA 1.469 57.694 56.100 0.208 0.000 0.976 505 R CB -0.630 29.789 30.300 0.198 0.000 0.870 505 R HN 0.170 nan 8.270 nan 0.000 0.445 506 A N 0.441 123.258 122.820 -0.005 0.000 2.119 506 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 506 A C 2.020 179.854 177.584 0.416 0.000 1.152 506 A CA 0.877 52.899 52.037 -0.025 0.000 0.708 506 A CB -0.067 18.602 19.000 -0.553 0.000 0.805 506 A HN 0.147 nan 8.150 nan 0.000 0.460 507 S N 0.233 116.241 115.700 0.513 0.000 2.399 507 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 507 S C 2.221 177.285 174.600 0.772 0.000 1.022 507 S CA 1.006 59.582 58.200 0.627 0.000 0.983 507 S CB -0.313 63.021 63.200 0.224 0.000 0.803 507 S HN 0.778 nan 8.310 nan 0.000 0.480 508 A N 1.128 124.332 122.820 0.639 0.000 1.933 508 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 508 A C 2.274 180.194 177.584 0.560 0.000 1.175 508 A CA 1.404 53.957 52.037 0.860 0.000 0.628 508 A CB -0.706 18.838 19.000 0.908 0.000 0.814 508 A HN 0.370 nan 8.150 nan 0.000 0.444 509 V N -0.214 119.856 119.914 0.260 0.000 2.453 509 V HA -0.101 4.019 4.120 -0.000 0.000 0.247 509 V C 2.797 178.856 176.094 -0.058 0.000 1.048 509 V CA 1.589 63.794 62.300 -0.158 0.000 1.049 509 V CB -1.475 30.052 31.823 -0.492 0.000 0.672 509 V HN 0.581 nan 8.190 nan 0.000 0.457 510 G N -0.012 108.854 108.800 0.110 0.000 2.446 510 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.217 510 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.217 510 G C 1.529 176.373 174.900 -0.095 0.000 1.168 510 G CA 1.133 46.094 45.100 -0.232 0.000 0.771 510 G HN 0.592 nan 8.290 nan 0.000 0.551 511 E N -0.022 120.171 120.200 -0.012 0.000 2.106 511 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 511 E C 2.481 179.045 176.600 -0.061 0.000 0.984 511 E CA 0.854 57.126 56.400 -0.213 0.000 0.806 511 E CB -0.076 29.244 29.700 -0.632 0.000 0.750 511 E HN 0.258 nan 8.360 nan 0.000 0.458 512 R N 0.380 120.874 120.500 -0.009 0.000 2.189 512 R HA 0.001 4.341 4.340 -0.000 0.000 0.223 512 R C 1.727 178.140 176.300 0.188 0.000 1.092 512 R CA 1.103 57.221 56.100 0.030 0.000 0.989 512 R CB -0.177 30.172 30.300 0.083 0.000 0.876 512 R HN 0.311 nan 8.270 nan 0.000 0.457 513 L N -1.384 119.937 121.223 0.164 0.000 2.590 513 L HA 0.120 4.460 4.340 -0.000 0.000 0.227 513 L C 1.718 178.782 176.870 0.323 0.000 1.099 513 L CA -0.087 54.967 54.840 0.356 0.000 0.872 513 L CB -0.122 42.040 42.059 0.173 0.000 1.088 513 L HN 0.314 nan 8.230 nan 0.000 0.479 514 W N 0.345 121.634 121.300 -0.019 0.000 3.127 514 W HA 0.213 4.873 4.660 -0.000 0.000 0.248 514 W C 0.852 177.310 176.519 -0.101 0.000 1.058 514 W CA 0.137 57.442 57.345 -0.067 0.000 1.783 514 W CB 0.158 29.551 29.460 -0.112 0.000 1.030 514 W HN -0.157 nan 8.180 nan 0.000 0.653 515 S N 1.736 117.583 115.700 0.245 0.000 2.596 515 S HA 0.147 4.617 4.470 -0.000 0.000 0.260 515 S C 0.424 175.008 174.600 -0.026 0.000 1.336 515 S CA -0.320 57.946 58.200 0.110 0.000 0.993 515 S CB 1.060 64.265 63.200 0.010 0.000 0.923 515 S HN 0.057 nan 8.310 nan 0.000 0.567 516 S N 1.016 116.690 115.700 -0.044 0.000 2.580 516 S HA 0.050 4.520 4.470 -0.000 0.000 0.266 516 S C 1.453 176.021 174.600 -0.052 0.000 1.354 516 S CA -0.522 57.634 58.200 -0.073 0.000 1.008 516 S CB 0.320 63.486 63.200 -0.056 0.000 0.898 516 S HN 0.731 nan 8.310 nan 0.000 0.555 517 K N 0.863 121.228 120.400 -0.057 0.000 2.148 517 K HA -0.148 4.171 4.320 -0.000 0.000 0.204 517 K C 0.726 177.320 176.600 -0.010 0.000 1.050 517 K CA 1.655 57.927 56.287 -0.025 0.000 0.942 517 K CB -0.250 32.232 32.500 -0.030 0.000 0.724 517 K HN 0.728 nan 8.250 nan 0.000 0.446 518 D N -0.064 120.329 120.400 -0.011 0.000 2.328 518 D HA -0.025 4.615 4.640 -0.000 0.000 0.226 518 D C -0.093 176.222 176.300 0.026 0.000 1.066 518 D CA -0.050 53.954 54.000 0.007 0.000 0.861 518 D CB 0.229 41.030 40.800 0.001 0.000 0.912 518 D HN -0.132 nan 8.370 nan 0.000 0.521 519 V N 1.253 121.181 119.914 0.023 0.000 2.299 519 V HA 0.316 4.436 4.120 -0.000 0.000 0.255 519 V C 0.735 176.894 176.094 0.108 0.000 1.100 519 V CA -0.356 61.979 62.300 0.058 0.000 0.938 519 V CB -0.010 31.830 31.823 0.028 0.000 1.139 519 V HN 0.174 nan 8.190 nan 0.000 0.490 520 R N 1.323 121.927 120.500 0.174 0.000 2.527 520 R HA 0.172 4.512 4.340 -0.000 0.000 0.402 520 R C -0.237 176.259 176.300 0.327 0.000 0.933 520 R CA -0.574 55.694 56.100 0.280 0.000 1.171 520 R CB 0.642 31.031 30.300 0.149 0.000 1.612 520 R HN 0.585 nan 8.270 nan 0.000 0.546 521 D N 1.153 121.702 120.400 0.249 0.000 2.346 521 D HA 0.025 4.665 4.640 -0.000 0.000 0.260 521 D C 1.114 177.533 176.300 0.198 0.000 1.252 521 D CA 0.042 54.152 54.000 0.184 0.000 0.895 521 D CB 0.950 41.830 40.800 0.133 0.000 1.097 521 D HN -0.173 nan 8.370 nan 0.000 0.489 522 M N 2.762 122.457 119.600 0.157 0.000 2.065 522 M HA -0.131 4.349 4.480 -0.000 0.000 0.259 522 M C 1.360 177.764 176.300 0.173 0.000 1.069 522 M CA 1.481 56.858 55.300 0.130 0.000 1.110 522 M CB -0.471 32.159 32.600 0.051 0.000 1.328 522 M HN 0.421 nan 8.290 nan 0.000 0.405 523 D N -0.061 120.412 120.400 0.121 0.000 2.133 523 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 523 D C 1.720 178.132 176.300 0.186 0.000 0.997 523 D CA 1.615 55.691 54.000 0.127 0.000 0.840 523 D CB -0.480 40.362 40.800 0.069 0.000 0.947 523 D HN 0.428 nan 8.370 nan 0.000 0.452 524 D N -0.085 120.412 120.400 0.161 0.000 2.123 524 D HA -0.016 4.624 4.640 -0.000 0.000 0.200 524 D C 1.942 178.366 176.300 0.206 0.000 0.976 524 D CA 1.397 55.492 54.000 0.158 0.000 0.831 524 D CB -0.118 40.760 40.800 0.130 0.000 0.974 524 D HN 0.083 nan 8.370 nan 0.000 0.469 525 A N -0.456 122.506 122.820 0.237 0.000 1.883 525 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 525 A C 2.299 180.039 177.584 0.260 0.000 1.186 525 A CA 1.655 53.866 52.037 0.289 0.000 0.624 525 A CB -1.418 17.598 19.000 0.026 0.000 0.822 525 A HN 0.502 nan 8.150 nan 0.000 0.444 526 Y N 0.663 121.085 120.300 0.203 0.000 2.181 526 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 526 Y C 2.215 178.106 175.900 -0.015 0.000 1.146 526 Y CA 2.097 60.262 58.100 0.108 0.000 1.164 526 Y CB -0.155 38.447 38.460 0.238 0.000 0.982 526 Y HN 0.422 nan 8.280 nan 0.000 0.515 527 D N 0.038 120.544 120.400 0.177 0.000 2.097 527 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 527 D C 2.070 178.337 176.300 -0.054 0.000 0.989 527 D CA 1.517 55.557 54.000 0.066 0.000 0.827 527 D CB -0.065 40.808 40.800 0.121 0.000 0.966 527 D HN 0.413 nan 8.370 nan 0.000 0.456 528 R N -0.463 120.051 120.500 0.023 0.000 2.119 528 R HA -0.034 4.306 4.340 -0.000 0.000 0.222 528 R C 2.231 178.473 176.300 -0.097 0.000 1.088 528 R CA 0.196 56.328 56.100 0.053 0.000 0.984 528 R CB -0.142 30.306 30.300 0.247 0.000 0.884 528 R HN 0.167 nan 8.270 nan 0.000 0.447 529 L N 1.058 122.075 121.223 -0.343 0.000 2.109 529 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 529 L C 2.230 178.719 176.870 -0.635 0.000 1.086 529 L CA 1.956 56.309 54.840 -0.812 0.000 0.760 529 L CB -0.642 40.675 42.059 -1.238 0.000 0.910 529 L HN 0.229 nan 8.230 nan 0.000 0.437 530 T N -3.006 111.193 114.554 -0.592 0.000 2.737 530 T HA -0.217 4.133 4.350 -0.000 0.000 0.265 530 T C 2.073 176.564 174.700 -0.348 0.000 1.038 530 T CA 1.365 63.163 62.100 -0.502 0.000 1.144 530 T CB -0.454 68.093 68.868 -0.535 0.000 0.866 530 T HN 0.292 nan 8.240 nan 0.000 0.434 531 R N -0.035 120.301 120.500 -0.274 0.000 2.115 531 R HA 0.031 4.371 4.340 -0.000 0.000 0.226 531 R C 2.693 178.883 176.300 -0.184 0.000 1.100 531 R CA 1.243 57.219 56.100 -0.206 0.000 0.980 531 R CB -0.495 29.715 30.300 -0.149 0.000 0.875 531 R HN 0.636 nan 8.270 nan 0.000 0.445 532 H N 0.651 119.547 119.070 -0.289 0.000 2.436 532 H HA 0.005 4.561 4.556 -0.000 0.000 0.294 532 H C 2.081 177.211 175.328 -0.330 0.000 1.048 532 H CA 0.894 56.769 56.048 -0.289 0.000 1.353 532 H CB 0.274 29.845 29.762 -0.319 0.000 1.414 532 H HN 0.002 nan 8.280 nan 0.000 0.536 533 R N 0.978 121.199 120.500 -0.465 0.000 2.081 533 R HA -0.102 4.237 4.340 -0.000 0.000 0.235 533 R C 2.284 178.361 176.300 -0.372 0.000 1.131 533 R CA 1.470 57.301 56.100 -0.448 0.000 0.960 533 R CB -1.130 28.950 30.300 -0.368 0.000 0.856 533 R HN 0.382 nan 8.270 nan 0.000 0.436 534 c N 0.342 118.754 118.600 -0.314 0.000 2.422 534 c HA -0.008 4.562 4.570 -0.000 0.000 0.279 534 c C 2.868 176.795 174.090 -0.272 0.000 1.305 534 c CA 0.873 57.046 56.329 -0.259 0.000 1.757 534 c CB -1.099 41.267 42.510 -0.239 0.000 1.962 534 c HN 0.530 nan 8.230 nan 0.000 0.499 535 R N 0.348 120.651 120.500 -0.328 0.000 2.075 535 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 535 R C 2.217 178.248 176.300 -0.448 0.000 1.126 535 R CA 1.413 57.306 56.100 -0.345 0.000 0.963 535 R CB -0.237 29.870 30.300 -0.322 0.000 0.858 535 R HN 0.460 nan 8.270 nan 0.000 0.435 536 M N -0.188 119.086 119.600 -0.543 0.000 2.159 536 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 536 M C 2.121 178.220 176.300 -0.335 0.000 1.063 536 M CA 1.293 56.280 55.300 -0.522 0.000 1.110 536 M CB 0.028 32.320 32.600 -0.513 0.000 1.374 536 M HN 0.055 nan 8.290 nan 0.000 0.411 537 V N 0.437 120.192 119.914 -0.265 0.000 2.407 537 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 537 V C 1.920 177.927 176.094 -0.145 0.000 1.055 537 V CA 1.846 64.043 62.300 -0.171 0.000 1.049 537 V CB -0.731 31.005 31.823 -0.145 0.000 0.662 537 V HN 0.495 nan 8.190 nan 0.000 0.455 538 E N -0.217 119.881 120.200 -0.171 0.000 2.274 538 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 538 E C 2.079 178.612 176.600 -0.112 0.000 0.996 538 E CA 0.491 56.815 56.400 -0.126 0.000 0.840 538 E CB -0.068 29.556 29.700 -0.125 0.000 0.772 538 E HN 0.534 nan 8.360 nan 0.000 0.491 539 R N -0.397 119.988 120.500 -0.192 0.000 2.334 539 R HA 0.092 4.432 4.340 -0.000 0.000 0.220 539 R C 0.784 177.066 176.300 -0.030 0.000 0.917 539 R CA 0.485 56.493 56.100 -0.154 0.000 1.073 539 R CB 0.672 30.632 30.300 -0.567 0.000 1.056 539 R HN 0.206 nan 8.270 nan 0.000 0.506 540 G N 0.995 109.767 108.800 -0.047 0.000 2.141 540 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.231 540 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.231 540 G C -0.053 174.841 174.900 -0.010 0.000 0.984 540 G CA -0.531 44.567 45.100 -0.004 0.000 0.660 540 G HN 0.130 nan 8.290 nan 0.000 0.525 541 I N 1.440 121.975 120.570 -0.058 0.000 2.328 541 I HA 0.566 4.736 4.170 -0.000 0.000 0.287 541 I C 1.028 177.110 176.117 -0.059 0.000 1.012 541 I CA -0.855 60.406 61.300 -0.064 0.000 1.195 541 I CB 0.877 38.787 38.000 -0.150 0.000 1.350 541 I HN 0.312 nan 8.210 nan 0.000 0.464 542 A N 6.143 128.960 122.820 -0.006 0.000 3.052 542 A HA 0.501 4.821 4.320 -0.000 0.000 0.266 542 A C 0.908 178.511 177.584 0.032 0.000 1.855 542 A CA -0.291 51.748 52.037 0.003 0.000 1.473 542 A CB -0.712 18.296 19.000 0.014 0.000 1.038 542 A HN 0.768 nan 8.150 nan 0.000 0.619 543 A N 1.862 124.684 122.820 0.003 0.000 2.363 543 A HA 0.503 4.823 4.320 -0.000 0.000 0.270 543 A C 0.598 178.178 177.584 -0.007 0.000 1.121 543 A CA -0.530 51.529 52.037 0.038 0.000 0.800 543 A CB 0.162 19.155 19.000 -0.011 0.000 1.052 543 A HN 0.872 nan 8.150 nan 0.000 0.493 544 Q N 2.903 122.712 119.800 0.014 0.000 2.368 544 Q HA 0.491 4.830 4.340 -0.000 0.000 0.237 544 Q C -2.477 173.503 176.000 -0.034 0.000 0.987 544 Q CA -1.724 54.077 55.803 -0.003 0.000 0.896 544 Q CB 0.380 29.130 28.738 0.021 0.000 1.241 544 Q HN 0.480 nan 8.270 nan 0.000 0.485 545 P HA 0.037 nan 4.420 nan 0.000 0.274 545 P C 0.012 177.303 177.300 -0.014 0.000 1.237 545 P CA -0.241 62.830 63.100 -0.049 0.000 0.793 545 P CB 0.961 32.646 31.700 -0.026 0.000 0.977 546 L N -0.127 121.075 121.223 -0.034 0.000 2.202 546 L HA 0.107 4.447 4.340 -0.000 0.000 0.205 546 L C 0.979 178.041 176.870 0.321 0.000 1.083 546 L CA 1.363 56.250 54.840 0.078 0.000 0.790 546 L CB -0.313 41.674 42.059 -0.120 0.000 0.942 546 L HN 0.423 nan 8.230 nan 0.000 0.452 547 Y N -1.381 118.983 120.300 0.106 0.000 2.905 547 Y HA 0.572 5.121 4.550 -0.000 0.000 0.322 547 Y C -0.801 175.158 175.900 0.098 0.000 1.455 547 Y CA -1.454 56.732 58.100 0.142 0.000 1.083 547 Y CB 0.881 39.499 38.460 0.264 0.000 1.473 547 Y HN -0.205 nan 8.280 nan 0.000 0.449 548 A N 1.335 123.849 122.820 -0.510 0.000 2.520 548 A HA 0.557 4.877 4.320 -0.000 0.000 0.245 548 A C 0.439 178.039 177.584 0.027 0.000 1.072 548 A CA 1.314 53.186 52.037 -0.275 0.000 0.761 548 A CB -0.990 17.756 19.000 -0.423 0.000 1.004 548 A HN 1.667 nan 8.150 nan 0.000 0.499 549 G N 0.355 109.188 108.800 0.056 0.000 2.452 549 G HA2 0.566 4.526 3.960 -0.000 0.000 0.224 549 G HA3 0.566 4.526 3.960 -0.000 0.000 0.224 549 G C -1.042 174.005 174.900 0.244 0.000 1.208 549 G CA 0.264 45.465 45.100 0.168 0.000 0.946 549 G HN 2.199 nan 8.290 nan 0.000 0.481 550 Y N -2.018 118.260 120.300 -0.036 0.000 2.702 550 Y HA 0.761 5.311 4.550 -0.000 0.000 0.336 550 Y C -0.435 175.429 175.900 -0.060 0.000 1.203 550 Y CA -1.722 56.350 58.100 -0.047 0.000 1.072 550 Y CB 0.331 38.767 38.460 -0.039 0.000 1.327 550 Y HN 0.865 nan 8.280 nan 0.000 0.456 551 c N 1.610 120.100 118.600 -0.183 0.000 2.656 551 c HA 0.719 5.289 4.570 -0.000 0.000 0.404 551 c C -0.387 173.569 174.090 -0.223 0.000 1.423 551 c CA -0.242 55.918 56.329 -0.282 0.000 1.784 551 c CB 0.642 43.053 42.510 -0.165 0.000 2.093 551 c HN 1.077 nan 8.230 nan 0.000 0.492 552 N N 0.000 118.593 118.700 -0.178 0.000 1.763 552 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 552 N CA 0.000 52.993 53.050 -0.095 0.000 0.885 552 N CB 0.000 38.476 38.487 -0.018 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667