REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2gk1_1_F 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 0.000 177.307 177.300 0.012 0.000 1.155 54 P CA 0.000 63.102 63.100 0.004 0.000 0.800 54 P CB 0.000 31.714 31.700 0.023 0.000 0.726 55 A N 2.437 125.262 122.820 0.007 0.000 2.728 55 A HA 0.390 4.710 4.320 -0.000 0.000 0.258 55 A C 0.486 178.110 177.584 0.068 0.000 1.454 55 A CA -0.287 51.772 52.037 0.035 0.000 1.146 55 A CB -0.919 18.083 19.000 0.005 0.000 0.985 55 A HN 0.468 nan 8.150 nan 0.000 0.603 56 L N 0.884 122.138 121.223 0.052 0.000 2.369 56 L HA 0.242 4.582 4.340 -0.000 0.000 0.279 56 L C -0.236 176.658 176.870 0.039 0.000 1.108 56 L CA -0.138 54.721 54.840 0.031 0.000 0.852 56 L CB 0.362 42.429 42.059 0.013 0.000 1.169 56 L HN 0.545 nan 8.230 nan 0.000 0.452 57 W N 6.768 127.928 121.300 -0.233 0.000 2.900 57 W HA 0.382 5.042 4.660 -0.000 0.000 0.336 57 W C -2.695 173.592 176.519 -0.387 0.000 1.064 57 W CA -2.273 54.864 57.345 -0.347 0.000 1.237 57 W CB 2.509 31.580 29.460 -0.648 0.000 1.391 57 W HN 0.224 nan 8.180 nan 0.000 0.468 58 P HA -0.002 nan 4.420 nan 0.000 0.270 58 P C -0.335 176.763 177.300 -0.338 0.000 1.223 58 P CA -0.218 62.574 63.100 -0.514 0.000 0.785 58 P CB 0.730 32.200 31.700 -0.383 0.000 0.923 59 L N 4.881 125.894 121.223 -0.349 0.000 2.433 59 L HA 0.256 4.596 4.340 -0.000 0.000 0.275 59 L C -2.205 174.689 176.870 0.040 0.000 1.128 59 L CA -1.559 53.199 54.840 -0.137 0.000 0.875 59 L CB -0.340 41.627 42.059 -0.153 0.000 1.171 59 L HN 0.288 nan 8.230 nan 0.000 0.463 60 P HA -0.005 nan 4.420 nan 0.000 0.271 60 P C 0.473 177.828 177.300 0.093 0.000 1.244 60 P CA -0.365 62.841 63.100 0.176 0.000 0.793 60 P CB 0.610 32.385 31.700 0.124 0.000 0.984 61 L N 0.389 121.644 121.223 0.052 0.000 2.072 61 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 61 L C 0.752 177.604 176.870 -0.030 0.000 1.079 61 L CA 1.964 56.785 54.840 -0.032 0.000 0.752 61 L CB -0.169 41.826 42.059 -0.107 0.000 0.906 61 L HN 0.293 nan 8.230 nan 0.000 0.436 62 S N -0.760 114.926 115.700 -0.023 0.000 2.721 62 S HA 0.531 5.001 4.470 -0.000 0.000 0.264 62 S C -1.279 173.324 174.600 0.005 0.000 1.161 62 S CA -0.701 57.490 58.200 -0.014 0.000 1.113 62 S CB 0.681 63.866 63.200 -0.026 0.000 1.079 62 S HN -0.119 nan 8.310 nan 0.000 0.479 63 V N 5.567 125.490 119.914 0.014 0.000 2.409 63 V HA 0.525 4.645 4.120 -0.000 0.000 0.291 63 V C -0.296 175.812 176.094 0.023 0.000 1.020 63 V CA -0.751 61.565 62.300 0.026 0.000 0.848 63 V CB 1.570 33.411 31.823 0.030 0.000 0.990 63 V HN 0.748 nan 8.190 nan 0.000 0.430 64 K N 4.900 125.316 120.400 0.027 0.000 2.533 64 K HA 0.481 4.801 4.320 -0.000 0.000 0.207 64 K C -0.455 176.161 176.600 0.028 0.000 1.052 64 K CA -0.364 55.938 56.287 0.024 0.000 1.030 64 K CB 0.701 33.214 32.500 0.022 0.000 1.522 64 K HN 0.483 nan 8.250 nan 0.000 0.543 65 M N 2.626 122.242 119.600 0.027 0.000 2.341 65 M HA 0.034 4.514 4.480 -0.000 0.000 0.336 65 M C 0.259 176.574 176.300 0.025 0.000 1.489 65 M CA 0.111 55.428 55.300 0.029 0.000 1.278 65 M CB -0.164 32.454 32.600 0.030 0.000 1.657 65 M HN 0.415 nan 8.290 nan 0.000 0.455 66 T N 1.757 116.326 114.554 0.025 0.000 2.817 66 T HA 0.356 4.706 4.350 -0.000 0.000 0.293 66 T C -1.689 173.023 174.700 0.020 0.000 0.964 66 T CA -1.615 60.497 62.100 0.021 0.000 1.085 66 T CB 1.239 70.118 68.868 0.019 0.000 0.921 66 T HN 0.330 nan 8.240 nan 0.000 0.502 67 P HA -0.230 nan 4.420 nan 0.000 0.226 67 P C 0.461 177.769 177.300 0.015 0.000 1.154 67 P CA 1.343 64.454 63.100 0.020 0.000 0.918 67 P CB -0.259 31.451 31.700 0.017 0.000 0.790 68 N N -0.750 117.955 118.700 0.007 0.000 2.412 68 N HA 0.100 4.840 4.740 -0.000 0.000 0.254 68 N C -0.157 175.337 175.510 -0.026 0.000 1.232 68 N CA 0.432 53.479 53.050 -0.006 0.000 0.880 68 N CB -0.067 38.417 38.487 -0.004 0.000 1.076 68 N HN -0.090 nan 8.380 nan 0.000 0.458 69 L N 2.585 123.773 121.223 -0.059 0.000 2.352 69 L HA 0.592 4.932 4.340 -0.000 0.000 0.269 69 L C -0.395 176.339 176.870 -0.227 0.000 1.034 69 L CA -0.703 54.057 54.840 -0.133 0.000 0.806 69 L CB 0.996 42.971 42.059 -0.141 0.000 1.244 69 L HN 0.319 nan 8.230 nan 0.000 0.447 70 L N 0.868 121.911 121.223 -0.300 0.000 2.464 70 L HA 0.438 4.778 4.340 -0.000 0.000 0.266 70 L C -1.082 175.609 176.870 -0.299 0.000 0.965 70 L CA -0.553 54.123 54.840 -0.274 0.000 0.833 70 L CB 2.203 44.212 42.059 -0.083 0.000 1.296 70 L HN 0.585 nan 8.230 nan 0.000 0.405 71 H N 2.459 121.549 119.070 0.033 0.000 2.496 71 H HA 0.711 5.267 4.556 -0.000 0.000 0.342 71 H C -1.046 174.339 175.328 0.094 0.000 1.170 71 H CA -0.622 55.455 56.048 0.048 0.000 1.274 71 H CB 1.728 31.521 29.762 0.051 0.000 1.538 71 H HN 0.234 nan 8.280 nan 0.000 0.542 72 L N 1.084 122.462 121.223 0.259 0.000 2.381 72 L HA 0.610 4.950 4.340 -0.000 0.000 0.268 72 L C -0.522 176.428 176.870 0.133 0.000 0.997 72 L CA -0.617 54.348 54.840 0.207 0.000 0.818 72 L CB 2.005 44.140 42.059 0.125 0.000 1.310 72 L HN 0.740 nan 8.230 nan 0.000 0.416 73 A N 3.295 126.148 122.820 0.054 0.000 2.328 73 A HA 0.711 5.031 4.320 -0.000 0.000 0.318 73 A C -2.065 175.300 177.584 -0.365 0.000 1.347 73 A CA -1.375 50.602 52.037 -0.101 0.000 0.842 73 A CB 0.491 19.472 19.000 -0.032 0.000 1.148 73 A HN 0.561 nan 8.150 nan 0.000 0.499 74 P HA -0.256 nan 4.420 nan 0.000 0.212 74 P C 0.585 177.574 177.300 -0.518 0.000 1.128 74 P CA 1.398 63.752 63.100 -1.244 0.000 0.961 74 P CB 0.200 31.337 31.700 -0.937 0.000 0.782 75 E N -1.187 118.822 120.200 -0.319 0.000 2.705 75 E HA -0.002 4.348 4.350 -0.000 0.000 0.272 75 E C 0.379 176.854 176.600 -0.208 0.000 1.528 75 E CA 0.122 56.398 56.400 -0.206 0.000 1.750 75 E CB -0.806 28.816 29.700 -0.131 0.000 1.439 75 E HN 0.151 nan 8.360 nan 0.000 0.449 76 N N -0.718 117.798 118.700 -0.306 0.000 1.848 76 N HA -0.023 4.717 4.740 -0.000 0.000 0.236 76 N C -0.932 174.217 175.510 -0.602 0.000 1.427 76 N CA -0.254 52.573 53.050 -0.371 0.000 0.732 76 N CB 0.198 38.601 38.487 -0.139 0.000 1.067 76 N HN 0.051 nan 8.380 nan 0.000 0.540 77 F N 1.827 121.450 119.950 -0.544 0.000 2.410 77 F HA 0.457 4.984 4.527 -0.000 0.000 0.348 77 F C -0.780 174.782 175.800 -0.397 0.000 1.106 77 F CA -0.014 57.791 58.000 -0.324 0.000 1.163 77 F CB 0.326 39.298 39.000 -0.047 0.000 1.129 77 F HN -0.081 nan 8.300 nan 0.000 0.516 78 Y N 4.923 125.068 120.300 -0.259 0.000 2.570 78 Y HA 0.638 5.188 4.550 -0.000 0.000 0.345 78 Y C -0.741 174.968 175.900 -0.318 0.000 1.014 78 Y CA -1.372 56.625 58.100 -0.172 0.000 1.063 78 Y CB 1.443 39.776 38.460 -0.212 0.000 1.272 78 Y HN 0.277 nan 8.280 nan 0.000 0.477 79 I N 1.733 122.245 120.570 -0.096 0.000 2.521 79 I HA 0.509 4.679 4.170 -0.000 0.000 0.277 79 I C -0.670 174.926 176.117 -0.869 0.000 1.054 79 I CA -0.234 60.837 61.300 -0.381 0.000 1.117 79 I CB 0.941 38.831 38.000 -0.183 0.000 1.217 79 I HN 0.541 nan 8.210 nan 0.000 0.469 80 S N 1.907 117.178 115.700 -0.716 0.000 2.704 80 S HA 0.649 5.119 4.470 -0.000 0.000 0.296 80 S C -0.599 173.645 174.600 -0.593 0.000 1.138 80 S CA -1.082 56.668 58.200 -0.750 0.000 0.875 80 S CB 0.811 63.787 63.200 -0.374 0.000 1.151 80 S HN 0.522 nan 8.310 nan 0.000 0.500 81 H N 0.674 119.624 119.070 -0.200 0.000 2.683 81 H HA 0.524 5.080 4.556 -0.000 0.000 0.339 81 H C 0.511 175.794 175.328 -0.075 0.000 1.081 81 H CA 0.129 56.137 56.048 -0.067 0.000 1.432 81 H CB 0.696 30.459 29.762 0.002 0.000 1.462 81 H HN 0.575 nan 8.280 nan 0.000 0.557 82 S N 2.861 118.595 115.700 0.058 0.000 2.562 82 S HA 0.008 4.478 4.470 -0.000 0.000 0.281 82 S C -1.212 173.403 174.600 0.025 0.000 1.333 82 S CA -1.278 56.932 58.200 0.016 0.000 1.052 82 S CB 0.460 63.667 63.200 0.011 0.000 0.884 82 S HN 0.542 nan 8.310 nan 0.000 0.506 83 P HA -0.117 nan 4.420 nan 0.000 0.216 83 P C 0.075 177.372 177.300 -0.004 0.000 1.150 83 P CA 1.378 64.475 63.100 -0.005 0.000 0.843 83 P CB -0.228 31.463 31.700 -0.015 0.000 0.787 84 N N -2.092 116.608 118.700 0.000 0.000 2.451 84 N HA 0.169 4.909 4.740 -0.000 0.000 0.264 84 N C -0.219 175.293 175.510 0.005 0.000 1.167 84 N CA -0.441 52.608 53.050 -0.001 0.000 0.898 84 N CB 0.091 38.578 38.487 -0.001 0.000 1.176 84 N HN -0.173 nan 8.380 nan 0.000 0.507 85 S N -0.434 115.272 115.700 0.010 0.000 2.578 85 S HA 0.178 4.648 4.470 -0.000 0.000 0.283 85 S C 1.394 175.986 174.600 -0.012 0.000 1.195 85 S CA -0.542 57.667 58.200 0.016 0.000 1.050 85 S CB 0.832 64.068 63.200 0.059 0.000 1.012 85 S HN 0.433 nan 8.310 nan 0.000 0.511 86 T N 1.554 116.099 114.554 -0.015 0.000 3.035 86 T HA 0.264 4.614 4.350 -0.000 0.000 0.268 86 T C 0.556 175.216 174.700 -0.066 0.000 1.109 86 T CA 0.530 62.609 62.100 -0.035 0.000 1.119 86 T CB -0.178 68.673 68.868 -0.028 0.000 0.900 86 T HN 0.710 nan 8.240 nan 0.000 0.503 87 A N 0.379 123.153 122.820 -0.076 0.000 2.331 87 A HA 0.818 5.138 4.320 -0.000 0.000 0.320 87 A C 0.424 177.785 177.584 -0.372 0.000 1.138 87 A CA -0.409 51.534 52.037 -0.157 0.000 0.790 87 A CB 1.456 20.399 19.000 -0.094 0.000 1.206 87 A HN 0.453 nan 8.150 nan 0.000 0.470 88 G N 0.753 109.246 108.800 -0.512 0.000 3.212 88 G HA2 0.605 4.565 3.960 -0.000 0.000 0.188 88 G HA3 0.605 4.565 3.960 -0.000 0.000 0.188 88 G C -2.136 172.314 174.900 -0.751 0.000 1.254 88 G CA -0.972 43.675 45.100 -0.754 0.000 0.957 88 G HN 0.331 nan 8.290 nan 0.000 0.596 89 P HA -0.044 nan 4.420 nan 0.000 0.220 89 P C 2.053 179.341 177.300 -0.021 0.000 1.148 89 P CA 1.950 65.049 63.100 -0.002 0.000 0.803 89 P CB 0.065 31.778 31.700 0.023 0.000 0.782 90 S N -2.310 113.342 115.700 -0.079 0.000 2.507 90 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 90 S C 1.067 175.630 174.600 -0.063 0.000 0.988 90 S CA 0.129 58.294 58.200 -0.060 0.000 0.944 90 S CB -1.628 61.533 63.200 -0.066 0.000 0.762 90 S HN 0.127 nan 8.310 nan 0.000 0.526 91 c N 4.442 122.993 118.600 -0.083 0.000 2.345 91 c HA 0.388 4.958 4.570 -0.000 0.000 0.349 91 c C 2.291 176.365 174.090 -0.027 0.000 1.130 91 c CA 0.033 56.320 56.329 -0.070 0.000 1.574 91 c CB -1.539 40.919 42.510 -0.086 0.000 2.108 91 c HN 0.749 nan 8.230 nan 0.000 0.516 92 T N 2.277 116.804 114.554 -0.046 0.000 2.746 92 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 92 T C 1.818 176.479 174.700 -0.065 0.000 1.039 92 T CA 1.414 63.491 62.100 -0.038 0.000 1.142 92 T CB -0.295 68.549 68.868 -0.042 0.000 0.866 92 T HN 0.688 nan 8.240 nan 0.000 0.444 93 L N 0.066 121.226 121.223 -0.104 0.000 2.042 93 L HA 0.021 4.361 4.340 -0.000 0.000 0.210 93 L C 2.634 179.390 176.870 -0.190 0.000 1.076 93 L CA 1.398 56.156 54.840 -0.137 0.000 0.749 93 L CB -0.320 41.636 42.059 -0.172 0.000 0.893 93 L HN 0.289 nan 8.230 nan 0.000 0.432 94 L N -0.734 120.350 121.223 -0.231 0.000 2.027 94 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 94 L C 2.721 179.219 176.870 -0.619 0.000 1.074 94 L CA 0.967 55.504 54.840 -0.506 0.000 0.745 94 L CB -0.640 41.232 42.059 -0.313 0.000 0.898 94 L HN 0.247 nan 8.230 nan 0.000 0.433 95 E N 0.173 120.307 120.200 -0.109 0.000 2.086 95 E HA -0.257 4.093 4.350 -0.000 0.000 0.200 95 E C 2.056 178.692 176.600 0.060 0.000 1.012 95 E CA 1.349 57.832 56.400 0.139 0.000 0.812 95 E CB -0.199 29.584 29.700 0.138 0.000 0.743 95 E HN 0.485 nan 8.360 nan 0.000 0.453 96 E N 0.412 120.592 120.200 -0.034 0.000 2.031 96 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 96 E C 2.099 178.680 176.600 -0.032 0.000 0.994 96 E CA 1.032 57.414 56.400 -0.031 0.000 0.800 96 E CB -0.302 29.364 29.700 -0.057 0.000 0.752 96 E HN 0.225 nan 8.360 nan 0.000 0.447 97 A N 0.976 123.733 122.820 -0.106 0.000 1.940 97 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 97 A C 2.012 179.684 177.584 0.147 0.000 1.176 97 A CA 1.283 53.315 52.037 -0.008 0.000 0.631 97 A CB -0.751 18.180 19.000 -0.114 0.000 0.814 97 A HN 0.117 nan 8.150 nan 0.000 0.446 98 F N -0.384 119.643 119.950 0.129 0.000 2.075 98 F HA -0.089 4.438 4.527 -0.000 0.000 0.297 98 F C 2.399 178.286 175.800 0.145 0.000 1.113 98 F CA 1.436 59.511 58.000 0.125 0.000 1.218 98 F CB -0.867 38.156 39.000 0.038 0.000 0.984 98 F HN 0.198 nan 8.300 nan 0.000 0.472 99 R N 0.164 120.821 120.500 0.262 0.000 2.193 99 R HA -0.131 4.209 4.340 -0.000 0.000 0.229 99 R C 2.366 178.702 176.300 0.061 0.000 1.110 99 R CA 1.048 57.228 56.100 0.132 0.000 0.988 99 R CB -0.091 30.247 30.300 0.065 0.000 0.871 99 R HN 0.191 nan 8.270 nan 0.000 0.458 100 R N -1.203 119.312 120.500 0.025 0.000 2.080 100 R HA -0.070 4.269 4.340 -0.000 0.000 0.222 100 R C 1.368 177.479 176.300 -0.314 0.000 1.107 100 R CA 1.202 57.182 56.100 -0.201 0.000 0.980 100 R CB -0.052 30.123 30.300 -0.208 0.000 0.879 100 R HN 0.228 nan 8.270 nan 0.000 0.439 101 Y N -1.170 119.218 120.300 0.148 0.000 2.475 101 Y HA -0.054 4.496 4.550 -0.000 0.000 0.289 101 Y C 2.004 178.002 175.900 0.164 0.000 1.121 101 Y CA 1.282 59.544 58.100 0.270 0.000 1.257 101 Y CB -0.206 38.423 38.460 0.281 0.000 1.026 101 Y HN 0.260 nan 8.280 nan 0.000 0.555 102 H N -0.813 118.393 119.070 0.226 0.000 2.387 102 H HA -0.110 4.446 4.556 -0.000 0.000 0.299 102 H C 2.422 177.836 175.328 0.145 0.000 1.090 102 H CA 1.529 57.709 56.048 0.221 0.000 1.332 102 H CB -0.282 29.631 29.762 0.252 0.000 1.386 102 H HN 0.343 nan 8.280 nan 0.000 0.516 103 G N -1.417 107.462 108.800 0.132 0.000 2.484 103 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 103 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 103 G C 0.860 175.695 174.900 -0.108 0.000 1.130 103 G CA 0.641 45.723 45.100 -0.031 0.000 0.784 103 G HN 0.370 nan 8.290 nan 0.000 0.543 104 Y N 0.380 120.670 120.300 -0.015 0.000 2.201 104 Y HA 0.200 4.750 4.550 -0.000 0.000 0.292 104 Y C 2.703 178.520 175.900 -0.139 0.000 1.119 104 Y CA -0.054 57.993 58.100 -0.088 0.000 1.127 104 Y CB -0.586 37.808 38.460 -0.110 0.000 1.019 104 Y HN 0.071 nan 8.280 nan 0.000 0.514 105 I N -1.122 119.392 120.570 -0.093 0.000 2.248 105 I HA -0.347 3.823 4.170 -0.000 0.000 0.248 105 I C 1.437 177.170 176.117 -0.641 0.000 1.107 105 I CA 1.815 62.802 61.300 -0.521 0.000 1.373 105 I CB -0.317 37.083 38.000 -1.000 0.000 1.055 105 I HN 0.100 nan 8.210 nan 0.000 0.418 106 F N -0.452 119.414 119.950 -0.140 0.000 2.592 106 F HA 0.433 4.960 4.527 -0.000 0.000 0.280 106 F C 1.429 177.284 175.800 0.091 0.000 1.083 106 F CA 0.453 58.349 58.000 -0.173 0.000 1.365 106 F CB -0.679 38.023 39.000 -0.496 0.000 1.100 106 F HN 0.074 nan 8.300 nan 0.000 0.633 123 Q N 1.822 121.685 119.800 0.105 0.000 2.271 123 Q HA 0.626 4.965 4.340 -0.000 0.000 0.258 123 Q C -0.804 175.271 176.000 0.125 0.000 0.936 123 Q CA -0.551 55.329 55.803 0.129 0.000 0.909 123 Q CB 1.678 30.485 28.738 0.115 0.000 1.253 123 Q HN 0.268 nan 8.270 nan 0.000 0.440 124 V N 5.153 125.176 119.914 0.181 0.000 2.372 124 V HA 0.049 4.169 4.120 -0.000 0.000 0.261 124 V C 0.585 176.835 176.094 0.260 0.000 1.055 124 V CA 0.139 62.586 62.300 0.244 0.000 0.930 124 V CB 0.875 32.928 31.823 0.382 0.000 1.031 124 V HN 0.933 nan 8.190 nan 0.000 0.479 125 Q N 2.746 122.591 119.800 0.075 0.000 2.391 125 Q HA 0.178 4.518 4.340 -0.000 0.000 0.211 125 Q C 0.663 176.486 176.000 -0.294 0.000 0.908 125 Q CA 0.388 56.172 55.803 -0.031 0.000 0.920 125 Q CB 0.941 29.683 28.738 0.007 0.000 1.056 125 Q HN 0.833 nan 8.270 nan 0.000 0.523 126 Q N 0.326 119.907 119.800 -0.364 0.000 2.391 126 Q HA 0.422 4.762 4.340 -0.000 0.000 0.279 126 Q C -2.175 173.571 176.000 -0.423 0.000 1.028 126 Q CA -0.644 54.853 55.803 -0.511 0.000 0.836 126 Q CB 1.801 30.397 28.738 -0.237 0.000 1.414 126 Q HN 0.091 nan 8.270 nan 0.000 0.397 127 L N 4.094 125.030 121.223 -0.479 0.000 2.325 127 L HA 0.547 4.886 4.340 -0.000 0.000 0.281 127 L C -1.904 174.806 176.870 -0.267 0.000 1.004 127 L CA -0.283 54.381 54.840 -0.293 0.000 0.823 127 L CB 1.396 43.261 42.059 -0.324 0.000 1.236 127 L HN 0.719 nan 8.230 nan 0.000 0.415 128 L N 5.808 126.920 121.223 -0.185 0.000 2.289 128 L HA 0.527 4.867 4.340 -0.000 0.000 0.285 128 L C -0.627 176.180 176.870 -0.106 0.000 1.049 128 L CA -0.779 53.970 54.840 -0.152 0.000 0.804 128 L CB 1.770 43.773 42.059 -0.093 0.000 1.195 128 L HN 0.353 nan 8.230 nan 0.000 0.428 129 V N 2.758 122.617 119.914 -0.092 0.000 2.311 129 V HA 0.249 4.369 4.120 -0.000 0.000 0.275 129 V C 0.071 176.215 176.094 0.083 0.000 1.022 129 V CA -0.196 62.118 62.300 0.024 0.000 0.830 129 V CB 1.336 33.255 31.823 0.160 0.000 1.012 129 V HN 0.735 nan 8.190 nan 0.000 0.452 130 S N 5.920 121.656 115.700 0.061 0.000 2.456 130 S HA 0.639 5.109 4.470 -0.000 0.000 0.316 130 S C -0.437 174.198 174.600 0.058 0.000 1.089 130 S CA -0.614 57.624 58.200 0.062 0.000 1.101 130 S CB 0.488 63.710 63.200 0.037 0.000 0.995 130 S HN 0.490 nan 8.310 nan 0.000 0.468 131 I N 5.283 125.885 120.570 0.053 0.000 2.297 131 I HA 0.216 4.386 4.170 -0.000 0.000 0.291 131 I C 1.528 177.657 176.117 0.020 0.000 1.033 131 I CA -0.246 61.071 61.300 0.028 0.000 1.253 131 I CB 0.150 38.150 38.000 0.000 0.000 1.396 131 I HN 0.560 nan 8.210 nan 0.000 0.476 132 T N 5.945 120.515 114.554 0.027 0.000 2.588 132 T HA -0.002 4.348 4.350 -0.000 0.000 0.261 132 T C 1.215 175.925 174.700 0.017 0.000 1.069 132 T CA 1.085 63.199 62.100 0.024 0.000 1.172 132 T CB -0.077 68.810 68.868 0.031 0.000 0.863 132 T HN 0.358 nan 8.240 nan 0.000 0.408 133 L N 0.654 121.889 121.223 0.020 0.000 2.567 133 L HA 0.323 4.663 4.340 -0.000 0.000 0.238 133 L C 0.797 177.670 176.870 0.004 0.000 1.168 133 L CA -0.943 53.907 54.840 0.018 0.000 0.817 133 L CB 0.050 42.128 42.059 0.032 0.000 1.409 133 L HN 0.176 nan 8.230 nan 0.000 0.502 134 Q N 0.371 120.176 119.800 0.008 0.000 2.275 134 Q HA -0.065 4.275 4.340 -0.000 0.000 0.293 134 Q C 1.056 177.043 176.000 -0.021 0.000 1.129 134 Q CA 0.178 55.979 55.803 -0.004 0.000 0.971 134 Q CB 0.724 29.468 28.738 0.011 0.000 1.098 134 Q HN 0.750 nan 8.270 nan 0.000 0.386 135 S N 3.468 119.134 115.700 -0.057 0.000 2.387 135 S HA -0.227 4.243 4.470 -0.000 0.000 0.230 135 S C 0.026 174.508 174.600 -0.198 0.000 1.035 135 S CA 1.249 59.376 58.200 -0.122 0.000 1.014 135 S CB -0.191 62.929 63.200 -0.132 0.000 0.836 135 S HN 0.899 nan 8.310 nan 0.000 0.466 136 E N -1.064 119.063 120.200 -0.122 0.000 2.372 136 E HA -0.192 4.157 4.350 -0.000 0.000 0.254 136 E C 0.659 177.123 176.600 -0.226 0.000 1.102 136 E CA 0.457 56.800 56.400 -0.094 0.000 0.740 136 E CB -2.409 27.316 29.700 0.042 0.000 1.292 136 E HN 0.636 nan 8.360 nan 0.000 0.394 137 c N 0.426 118.911 118.600 -0.192 0.000 2.457 137 c HA -0.090 4.480 4.570 -0.000 0.000 0.278 137 c C 1.043 175.030 174.090 -0.172 0.000 1.309 137 c CA 1.113 57.312 56.329 -0.216 0.000 1.735 137 c CB -0.101 42.314 42.510 -0.158 0.000 1.992 137 c HN 0.445 nan 8.230 nan 0.000 0.493 138 D N 0.768 121.101 120.400 -0.112 0.000 3.008 138 D HA 0.460 5.100 4.640 -0.000 0.000 0.312 138 D C -0.137 176.114 176.300 -0.082 0.000 1.361 138 D CA 0.409 54.347 54.000 -0.104 0.000 0.858 138 D CB 0.593 41.350 40.800 -0.071 0.000 1.098 138 D HN 0.553 nan 8.370 nan 0.000 0.482 139 A N 0.069 122.859 122.820 -0.051 0.000 2.515 139 A HA 0.677 4.996 4.320 -0.000 0.000 0.296 139 A C -1.027 176.622 177.584 0.108 0.000 1.094 139 A CA -0.649 51.422 52.037 0.056 0.000 0.718 139 A CB 1.282 20.389 19.000 0.179 0.000 1.307 139 A HN 0.020 nan 8.150 nan 0.000 0.408 140 F N 1.803 121.891 119.950 0.230 0.000 2.384 140 F HA 0.465 4.992 4.527 -0.000 0.000 0.338 140 F C -1.534 174.294 175.800 0.048 0.000 1.103 140 F CA -1.593 56.512 58.000 0.175 0.000 1.157 140 F CB 0.906 39.964 39.000 0.096 0.000 1.167 140 F HN 0.314 nan 8.300 nan 0.000 0.529 141 P HA 0.164 nan 4.420 nan 0.000 0.275 141 P C -1.251 175.926 177.300 -0.206 0.000 1.228 141 P CA -0.348 62.369 63.100 -0.638 0.000 0.786 141 P CB 1.080 32.050 31.700 -1.217 0.000 0.927 142 N N 1.158 119.758 118.700 -0.167 0.000 3.002 142 N HA 0.207 4.947 4.740 -0.000 0.000 0.331 142 N C 0.750 176.278 175.510 0.030 0.000 1.384 142 N CA -0.832 52.223 53.050 0.007 0.000 0.780 142 N CB -0.280 38.245 38.487 0.064 0.000 1.492 142 N HN 0.174 nan 8.380 nan 0.000 0.608 143 I N -0.286 120.392 120.570 0.180 0.000 2.335 143 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 143 I C 1.202 177.382 176.117 0.106 0.000 1.129 143 I CA 1.696 63.099 61.300 0.171 0.000 1.402 143 I CB -0.386 37.783 38.000 0.282 0.000 1.069 143 I HN 0.674 nan 8.210 nan 0.000 0.424 144 S N -1.295 114.464 115.700 0.099 0.000 2.597 144 S HA 0.272 4.742 4.470 -0.000 0.000 0.224 144 S C 0.815 175.462 174.600 0.077 0.000 0.955 144 S CA -0.488 57.765 58.200 0.088 0.000 0.933 144 S CB -0.613 62.645 63.200 0.097 0.000 0.788 144 S HN 0.249 nan 8.310 nan 0.000 0.488 145 S N 3.192 118.907 115.700 0.026 0.000 2.531 145 S HA 0.208 4.677 4.470 -0.000 0.000 0.279 145 S C -0.266 174.415 174.600 0.134 0.000 1.305 145 S CA -0.300 57.923 58.200 0.038 0.000 1.058 145 S CB 0.590 63.558 63.200 -0.386 0.000 0.899 145 S HN 0.518 nan 8.310 nan 0.000 0.493 146 D N 2.294 122.850 120.400 0.260 0.000 2.339 146 D HA 0.116 4.755 4.640 -0.000 0.000 0.241 146 D C 0.167 176.655 176.300 0.313 0.000 1.183 146 D CA -0.180 53.956 54.000 0.225 0.000 0.859 146 D CB 0.581 41.486 40.800 0.175 0.000 1.067 146 D HN 0.519 nan 8.370 nan 0.000 0.484 147 E N 1.362 121.725 120.200 0.272 0.000 2.437 147 E HA 0.085 4.435 4.350 -0.000 0.000 0.195 147 E C 0.004 176.847 176.600 0.405 0.000 1.029 147 E CA -0.297 56.332 56.400 0.383 0.000 0.948 147 E CB 0.316 30.271 29.700 0.425 0.000 1.082 147 E HN 0.439 nan 8.360 nan 0.000 0.456 148 S N 0.740 116.592 115.700 0.254 0.000 2.545 148 S HA 0.379 4.848 4.470 -0.000 0.000 0.275 148 S C -0.372 174.393 174.600 0.275 0.000 1.299 148 S CA -0.726 57.574 58.200 0.168 0.000 1.048 148 S CB 0.259 63.488 63.200 0.048 0.000 0.938 148 S HN 0.274 nan 8.310 nan 0.000 0.496 149 Y N -1.106 119.271 120.300 0.128 0.000 2.615 149 Y HA 0.823 5.373 4.550 -0.000 0.000 0.341 149 Y C -0.831 175.122 175.900 0.087 0.000 1.089 149 Y CA -1.113 57.051 58.100 0.106 0.000 1.049 149 Y CB 1.066 39.597 38.460 0.119 0.000 1.296 149 Y HN 0.751 nan 8.280 nan 0.000 0.470 150 T N 1.260 115.956 114.554 0.237 0.000 2.928 150 T HA 0.617 4.967 4.350 -0.000 0.000 0.296 150 T C -1.791 173.026 174.700 0.195 0.000 1.000 150 T CA -0.496 61.690 62.100 0.143 0.000 0.989 150 T CB 1.672 70.585 68.868 0.076 0.000 1.005 150 T HN 0.827 nan 8.240 nan 0.000 0.442 151 L N 3.236 124.573 121.223 0.191 0.000 2.356 151 L HA 0.692 5.032 4.340 -0.000 0.000 0.277 151 L C -1.466 175.483 176.870 0.132 0.000 0.996 151 L CA -1.099 53.850 54.840 0.183 0.000 0.822 151 L CB 1.579 43.793 42.059 0.259 0.000 1.256 151 L HN 0.784 nan 8.230 nan 0.000 0.413 152 L N 6.047 127.335 121.223 0.109 0.000 2.318 152 L HA 0.488 4.828 4.340 -0.000 0.000 0.277 152 L C -0.797 176.139 176.870 0.109 0.000 1.008 152 L CA -0.676 54.218 54.840 0.090 0.000 0.846 152 L CB 1.692 43.788 42.059 0.061 0.000 1.220 152 L HN 0.299 nan 8.230 nan 0.000 0.423 153 V N 4.051 124.038 119.914 0.122 0.000 2.339 153 V HA 0.394 4.514 4.120 -0.000 0.000 0.261 153 V C 0.213 176.363 176.094 0.094 0.000 1.058 153 V CA -0.298 62.088 62.300 0.144 0.000 0.897 153 V CB 0.446 32.355 31.823 0.144 0.000 1.052 153 V HN 0.716 nan 8.190 nan 0.000 0.480 154 K N 2.950 123.405 120.400 0.092 0.000 2.175 154 K HA 0.663 4.982 4.320 -0.000 0.000 0.257 154 K C -0.907 175.732 176.600 0.064 0.000 1.026 154 K CA -1.007 55.318 56.287 0.062 0.000 0.866 154 K CB 2.399 34.927 32.500 0.046 0.000 1.474 154 K HN 0.769 nan 8.250 nan 0.000 0.442 155 E N 0.652 120.879 120.200 0.046 0.000 2.238 155 E HA 0.347 4.697 4.350 -0.000 0.000 0.267 155 E C -2.226 174.392 176.600 0.031 0.000 0.887 155 E CA -1.690 54.736 56.400 0.044 0.000 0.769 155 E CB 1.570 31.293 29.700 0.039 0.000 1.187 155 E HN 0.235 nan 8.360 nan 0.000 0.416 156 P HA 0.068 nan 4.420 nan 0.000 0.239 156 P C -0.256 177.057 177.300 0.021 0.000 1.188 156 P CA 0.108 63.228 63.100 0.033 0.000 0.794 156 P CB 0.395 32.108 31.700 0.022 0.000 0.937 157 V N 1.409 121.327 119.914 0.006 0.000 2.334 157 V HA 0.544 4.664 4.120 -0.000 0.000 0.281 157 V C 0.427 176.521 176.094 0.001 0.000 1.016 157 V CA -1.178 61.110 62.300 -0.019 0.000 0.832 157 V CB 0.785 32.586 31.823 -0.036 0.000 0.999 157 V HN 0.141 nan 8.190 nan 0.000 0.439 158 A N 5.207 128.034 122.820 0.012 0.000 2.388 158 A HA 0.704 5.024 4.320 -0.000 0.000 0.257 158 A C -0.324 177.252 177.584 -0.015 0.000 1.095 158 A CA -0.247 51.813 52.037 0.037 0.000 0.791 158 A CB 0.769 19.835 19.000 0.110 0.000 1.029 158 A HN 0.666 nan 8.150 nan 0.000 0.489 159 V N 3.063 122.982 119.914 0.008 0.000 2.487 159 V HA 0.416 4.536 4.120 -0.000 0.000 0.298 159 V C -0.783 175.320 176.094 0.015 0.000 1.028 159 V CA -0.431 61.867 62.300 -0.003 0.000 0.860 159 V CB 1.316 33.144 31.823 0.008 0.000 0.991 159 V HN 0.789 nan 8.190 nan 0.000 0.427 160 L N 5.717 126.937 121.223 -0.004 0.000 2.316 160 L HA 0.605 4.945 4.340 -0.000 0.000 0.280 160 L C -0.439 176.459 176.870 0.046 0.000 1.006 160 L CA 0.034 54.890 54.840 0.026 0.000 0.836 160 L CB 1.038 43.081 42.059 -0.027 0.000 1.221 160 L HN 0.603 nan 8.230 nan 0.000 0.418 161 K N 4.255 124.702 120.400 0.079 0.000 2.292 161 K HA 0.895 5.215 4.320 -0.000 0.000 0.257 161 K C -1.488 175.180 176.600 0.113 0.000 0.940 161 K CA -0.544 55.789 56.287 0.077 0.000 0.811 161 K CB 1.705 34.241 32.500 0.060 0.000 1.120 161 K HN 0.769 nan 8.250 nan 0.000 0.428 162 A N 3.263 126.142 122.820 0.098 0.000 2.486 162 A HA 0.311 4.631 4.320 -0.000 0.000 0.300 162 A C 0.077 177.710 177.584 0.081 0.000 1.048 162 A CA -0.817 51.294 52.037 0.122 0.000 0.696 162 A CB 1.173 20.260 19.000 0.144 0.000 1.278 162 A HN 0.873 nan 8.150 nan 0.000 0.405 163 N N 0.634 119.387 118.700 0.089 0.000 2.069 163 N HA -0.084 4.656 4.740 -0.000 0.000 0.191 163 N C 0.254 175.793 175.510 0.049 0.000 1.031 163 N CA 1.216 54.307 53.050 0.068 0.000 0.852 163 N CB -0.100 38.435 38.487 0.080 0.000 1.018 163 N HN 0.578 nan 8.380 nan 0.000 0.423 164 R N -0.443 120.092 120.500 0.059 0.000 2.888 164 R HA 0.329 4.669 4.340 -0.000 0.000 0.266 164 R C 1.375 177.586 176.300 -0.147 0.000 1.020 164 R CA -0.756 55.327 56.100 -0.028 0.000 0.963 164 R CB 0.373 30.731 30.300 0.096 0.000 1.197 164 R HN -0.230 nan 8.270 nan 0.000 0.481 165 V N 0.470 120.122 119.914 -0.438 0.000 2.324 165 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 165 V C 1.677 177.554 176.094 -0.361 0.000 1.060 165 V CA 2.034 64.026 62.300 -0.513 0.000 1.042 165 V CB -0.423 30.910 31.823 -0.816 0.000 0.650 165 V HN 0.697 nan 8.190 nan 0.000 0.450 166 W N 0.263 121.593 121.300 0.049 0.000 2.364 166 W HA -0.038 4.622 4.660 -0.000 0.000 0.281 166 W C 2.415 178.994 176.519 0.099 0.000 1.219 166 W CA 0.621 58.009 57.345 0.072 0.000 1.220 166 W CB -1.041 28.479 29.460 0.101 0.000 1.127 166 W HN 0.268 nan 8.180 nan 0.000 0.556 167 G N 0.849 109.809 108.800 0.265 0.000 2.404 167 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 167 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 167 G C 1.724 176.654 174.900 0.049 0.000 1.174 167 G CA 1.418 46.678 45.100 0.266 0.000 0.780 167 G HN 0.316 nan 8.290 nan 0.000 0.537 168 A N 0.570 123.378 122.820 -0.021 0.000 1.972 168 A HA 0.068 4.388 4.320 -0.000 0.000 0.219 168 A C 2.438 179.913 177.584 -0.180 0.000 1.169 168 A CA 1.330 53.298 52.037 -0.115 0.000 0.635 168 A CB -0.375 18.571 19.000 -0.091 0.000 0.810 168 A HN 0.369 nan 8.150 nan 0.000 0.446 169 L N -0.946 120.220 121.223 -0.094 0.000 2.012 169 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 169 L C 2.775 179.551 176.870 -0.156 0.000 1.073 169 L CA 1.346 56.149 54.840 -0.061 0.000 0.748 169 L CB -0.538 41.573 42.059 0.087 0.000 0.891 169 L HN 0.241 nan 8.230 nan 0.000 0.431 170 R N 0.319 120.725 120.500 -0.157 0.000 2.115 170 R HA -0.015 4.325 4.340 -0.000 0.000 0.226 170 R C 2.260 178.131 176.300 -0.715 0.000 1.100 170 R CA 1.190 57.116 56.100 -0.290 0.000 0.980 170 R CB -1.339 28.949 30.300 -0.021 0.000 0.875 170 R HN 0.429 nan 8.270 nan 0.000 0.445 171 G N 1.337 109.534 108.800 -1.005 0.000 2.404 171 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 171 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 171 G C 1.617 176.221 174.900 -0.494 0.000 1.174 171 G CA 0.277 44.708 45.100 -1.115 0.000 0.780 171 G HN 0.174 nan 8.290 nan 0.000 0.537 172 L N 0.177 121.127 121.223 -0.455 0.000 2.017 172 L HA -0.078 4.261 4.340 -0.000 0.000 0.208 172 L C 2.783 179.299 176.870 -0.590 0.000 1.073 172 L CA 1.511 56.048 54.840 -0.506 0.000 0.745 172 L CB -0.390 41.236 42.059 -0.720 0.000 0.894 172 L HN 0.223 nan 8.230 nan 0.000 0.432 173 E N 0.276 120.101 120.200 -0.625 0.000 2.118 173 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 173 E C 1.994 178.509 176.600 -0.141 0.000 0.992 173 E CA 2.089 58.307 56.400 -0.303 0.000 0.804 173 E CB -0.221 29.422 29.700 -0.096 0.000 0.741 173 E HN 0.387 nan 8.360 nan 0.000 0.458 174 T N -0.023 114.448 114.554 -0.138 0.000 2.857 174 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 174 T C 1.571 176.275 174.700 0.006 0.000 1.048 174 T CA 1.055 63.136 62.100 -0.031 0.000 1.139 174 T CB -0.530 68.385 68.868 0.078 0.000 0.874 174 T HN 0.271 nan 8.240 nan 0.000 0.455 175 F N 3.032 122.907 119.950 -0.125 0.000 2.146 175 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 175 F C 2.557 178.287 175.800 -0.116 0.000 1.096 175 F CA 1.458 59.400 58.000 -0.096 0.000 1.275 175 F CB -0.405 38.536 39.000 -0.098 0.000 1.008 175 F HN 0.203 nan 8.300 nan 0.000 0.480 176 S N -0.219 115.456 115.700 -0.041 0.000 2.368 176 S HA -0.248 4.222 4.470 -0.000 0.000 0.224 176 S C 1.776 176.266 174.600 -0.184 0.000 1.029 176 S CA 1.165 59.293 58.200 -0.120 0.000 0.988 176 S CB -0.961 62.293 63.200 0.091 0.000 0.838 176 S HN 0.615 nan 8.310 nan 0.000 0.462 177 Q N 0.462 120.189 119.800 -0.121 0.000 2.561 177 Q HA 0.144 4.484 4.340 -0.000 0.000 0.217 177 Q C 1.766 177.709 176.000 -0.094 0.000 0.980 177 Q CA 0.573 56.325 55.803 -0.086 0.000 0.927 177 Q CB -0.349 28.367 28.738 -0.038 0.000 0.980 177 Q HN 0.602 nan 8.270 nan 0.000 0.525 178 L N -0.709 120.393 121.223 -0.200 0.000 2.185 178 L HA 0.032 4.372 4.340 -0.000 0.000 0.198 178 L C 0.651 177.385 176.870 -0.228 0.000 1.079 178 L CA 0.099 54.813 54.840 -0.208 0.000 0.780 178 L CB 0.305 42.163 42.059 -0.333 0.000 0.955 178 L HN -0.079 nan 8.230 nan 0.000 0.462 179 V N 1.086 120.736 119.914 -0.440 0.000 2.529 179 V HA -0.051 4.069 4.120 -0.000 0.000 0.292 179 V C -0.175 175.809 176.094 -0.183 0.000 1.028 179 V CA 0.131 62.177 62.300 -0.423 0.000 1.074 179 V CB -0.831 30.655 31.823 -0.562 0.000 0.958 179 V HN 0.233 nan 8.190 nan 0.000 0.481 180 Y N 2.763 123.001 120.300 -0.103 0.000 2.914 180 Y HA 0.827 5.377 4.550 -0.000 0.000 0.315 180 Y C -0.332 175.513 175.900 -0.092 0.000 1.345 180 Y CA -1.566 56.482 58.100 -0.087 0.000 1.121 180 Y CB 1.317 39.718 38.460 -0.097 0.000 1.363 180 Y HN 0.407 nan 8.280 nan 0.000 0.566 181 Q N 1.550 121.466 119.800 0.194 0.000 2.356 181 Q HA 0.240 4.580 4.340 -0.000 0.000 0.270 181 Q C -1.189 174.930 176.000 0.199 0.000 1.058 181 Q CA -1.112 54.678 55.803 -0.021 0.000 0.802 181 Q CB 2.325 30.873 28.738 -0.316 0.000 1.303 181 Q HN 0.732 nan 8.270 nan 0.000 0.444 182 D N 0.358 120.865 120.400 0.178 0.000 2.228 182 D HA -0.001 4.639 4.640 -0.000 0.000 0.259 182 D C 0.492 176.825 176.300 0.056 0.000 1.249 182 D CA -0.179 53.939 54.000 0.197 0.000 0.997 182 D CB 0.203 41.151 40.800 0.246 0.000 1.151 182 D HN 0.330 nan 8.370 nan 0.000 0.536 183 S N -1.663 114.055 115.700 0.030 0.000 2.419 183 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 183 S C 1.387 175.794 174.600 -0.322 0.000 1.016 183 S CA 0.856 58.939 58.200 -0.196 0.000 0.974 183 S CB -0.537 62.451 63.200 -0.353 0.000 0.786 183 S HN 0.452 nan 8.310 nan 0.000 0.492 184 Y N 0.035 120.321 120.300 -0.024 0.000 2.458 184 Y HA 0.375 4.925 4.550 -0.000 0.000 0.256 184 Y C 1.823 177.686 175.900 -0.062 0.000 1.159 184 Y CA 0.082 58.161 58.100 -0.035 0.000 1.261 184 Y CB 0.362 38.806 38.460 -0.027 0.000 1.119 184 Y HN 0.307 nan 8.280 nan 0.000 0.524 185 G N -0.270 108.535 108.800 0.009 0.000 2.213 185 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.236 185 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.236 185 G C 0.264 175.048 174.900 -0.193 0.000 0.991 185 G CA 0.072 45.103 45.100 -0.114 0.000 0.629 185 G HN 0.221 nan 8.290 nan 0.000 0.517 186 T N 2.306 116.832 114.554 -0.047 0.000 2.829 186 T HA 0.403 4.753 4.350 -0.000 0.000 0.293 186 T C 0.379 175.058 174.700 -0.035 0.000 0.970 186 T CA 0.072 62.166 62.100 -0.010 0.000 1.168 186 T CB 0.341 69.214 68.868 0.008 0.000 0.911 186 T HN 0.215 nan 8.240 nan 0.000 0.535 187 F N 2.923 122.907 119.950 0.057 0.000 2.543 187 F HA 0.268 4.795 4.527 -0.000 0.000 0.375 187 F C 1.444 177.215 175.800 -0.048 0.000 1.075 187 F CA 0.111 58.114 58.000 0.005 0.000 1.225 187 F CB 0.280 39.332 39.000 0.088 0.000 1.099 187 F HN 0.475 nan 8.300 nan 0.000 0.561 188 T N 5.035 119.496 114.554 -0.156 0.000 2.896 188 T HA 0.708 5.058 4.350 -0.000 0.000 0.297 188 T C -1.148 173.138 174.700 -0.689 0.000 1.108 188 T CA -0.698 61.173 62.100 -0.383 0.000 1.004 188 T CB 2.189 70.806 68.868 -0.419 0.000 1.159 188 T HN 0.525 nan 8.240 nan 0.000 0.499 189 I N 1.831 122.118 120.570 -0.472 0.000 2.685 189 I HA 0.307 4.477 4.170 -0.000 0.000 0.289 189 I C -1.461 174.547 176.117 -0.181 0.000 1.292 189 I CA -0.801 60.282 61.300 -0.361 0.000 1.050 189 I CB 1.894 39.706 38.000 -0.314 0.000 1.301 189 I HN 0.454 nan 8.210 nan 0.000 0.425 190 N N 5.986 124.639 118.700 -0.079 0.000 2.483 190 N HA 0.038 4.778 4.740 -0.000 0.000 0.264 190 N C -0.442 175.059 175.510 -0.015 0.000 1.197 190 N CA 0.129 53.167 53.050 -0.019 0.000 0.927 190 N CB 0.788 39.296 38.487 0.036 0.000 1.065 190 N HN 0.559 nan 8.380 nan 0.000 0.461 191 E N 1.318 121.514 120.200 -0.007 0.000 2.366 191 E HA 0.165 4.515 4.350 -0.000 0.000 0.266 191 E C -0.979 175.638 176.600 0.028 0.000 1.015 191 E CA -0.044 56.366 56.400 0.016 0.000 0.906 191 E CB 0.240 29.947 29.700 0.012 0.000 0.979 191 E HN 0.624 nan 8.360 nan 0.000 0.443 192 S N 2.581 118.307 115.700 0.044 0.000 2.565 192 S HA 0.336 4.806 4.470 -0.000 0.000 0.274 192 S C -0.929 173.709 174.600 0.063 0.000 1.144 192 S CA -1.063 57.165 58.200 0.047 0.000 0.849 192 S CB 1.721 64.947 63.200 0.044 0.000 1.103 192 S HN 0.377 nan 8.310 nan 0.000 0.455 193 T N 2.022 116.608 114.554 0.054 0.000 2.779 193 T HA 0.678 5.027 4.350 -0.000 0.000 0.280 193 T C -0.758 173.976 174.700 0.057 0.000 0.987 193 T CA -0.270 61.865 62.100 0.060 0.000 0.966 193 T CB 0.503 69.397 68.868 0.044 0.000 0.933 193 T HN 0.547 nan 8.240 nan 0.000 0.442 194 I N 3.301 123.917 120.570 0.076 0.000 2.530 194 I HA 0.537 4.707 4.170 -0.000 0.000 0.297 194 I C -0.577 175.557 176.117 0.028 0.000 1.011 194 I CA -0.650 60.687 61.300 0.062 0.000 1.107 194 I CB 1.804 39.868 38.000 0.107 0.000 1.285 194 I HN 0.554 nan 8.210 nan 0.000 0.436 195 I N 4.606 125.160 120.570 -0.027 0.000 2.439 195 I HA 0.456 4.625 4.170 -0.000 0.000 0.285 195 I C -1.091 174.924 176.117 -0.170 0.000 1.021 195 I CA -0.385 60.862 61.300 -0.089 0.000 1.091 195 I CB 1.588 39.554 38.000 -0.057 0.000 1.242 195 I HN 0.411 nan 8.210 nan 0.000 0.439 196 D N 3.956 124.134 120.400 -0.370 0.000 2.601 196 D HA 0.779 5.419 4.640 -0.000 0.000 0.230 196 D C -1.165 174.903 176.300 -0.387 0.000 1.106 196 D CA -0.118 53.653 54.000 -0.381 0.000 0.873 196 D CB 2.347 42.900 40.800 -0.412 0.000 1.515 196 D HN 0.574 nan 8.370 nan 0.000 0.468 197 S N 0.816 116.307 115.700 -0.348 0.000 2.567 197 S HA 0.707 5.176 4.470 -0.000 0.000 0.270 197 S C -3.056 170.869 174.600 -1.126 0.000 1.152 197 S CA -1.229 56.665 58.200 -0.510 0.000 0.835 197 S CB 2.113 65.124 63.200 -0.314 0.000 1.115 197 S HN 0.263 nan 8.310 nan 0.000 0.459 198 P HA 0.401 nan 4.420 nan 0.000 0.285 198 P C 0.159 177.078 177.300 -0.634 0.000 1.259 198 P CA -0.597 61.716 63.100 -1.313 0.000 0.794 198 P CB 1.236 32.488 31.700 -0.747 0.000 0.940 199 R N 1.756 121.945 120.500 -0.519 0.000 2.148 199 R HA 0.017 4.357 4.340 -0.000 0.000 0.227 199 R C -0.154 175.727 176.300 -0.698 0.000 1.103 199 R CA 1.203 56.993 56.100 -0.516 0.000 0.983 199 R CB -0.057 29.988 30.300 -0.426 0.000 0.874 199 R HN 0.423 nan 8.270 nan 0.000 0.451 200 F N -2.293 117.624 119.950 -0.054 0.000 2.620 200 F HA 0.187 4.714 4.527 -0.000 0.000 0.320 200 F C 1.196 177.023 175.800 0.045 0.000 1.069 200 F CA -0.691 57.344 58.000 0.058 0.000 0.953 200 F CB 1.930 41.034 39.000 0.173 0.000 1.322 200 F HN -0.177 nan 8.300 nan 0.000 0.479 201 S N -0.872 115.004 115.700 0.293 0.000 2.441 201 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 201 S C 0.442 175.162 174.600 0.199 0.000 1.043 201 S CA 0.515 58.828 58.200 0.188 0.000 0.948 201 S CB -0.308 62.978 63.200 0.144 0.000 0.810 201 S HN 0.638 nan 8.310 nan 0.000 0.504 202 H N 2.263 121.419 119.070 0.144 0.000 2.690 202 H HA 0.517 5.072 4.556 -0.000 0.000 0.289 202 H C -0.984 174.415 175.328 0.118 0.000 1.089 202 H CA -0.314 55.788 56.048 0.089 0.000 1.299 202 H CB 0.223 29.991 29.762 0.010 0.000 1.405 202 H HN 0.368 nan 8.280 nan 0.000 0.463 203 R N 3.806 124.342 120.500 0.060 0.000 2.576 203 R HA 0.389 4.729 4.340 -0.000 0.000 0.283 203 R C -0.088 176.341 176.300 0.215 0.000 1.493 203 R CA -0.651 55.523 56.100 0.123 0.000 1.170 203 R CB 1.644 31.960 30.300 0.026 0.000 1.189 203 R HN 0.606 nan 8.270 nan 0.000 0.542 204 G N 1.832 110.811 108.800 0.298 0.000 3.108 204 G HA2 0.718 4.678 3.960 -0.000 0.000 0.268 204 G HA3 0.718 4.678 3.960 -0.000 0.000 0.268 204 G C -0.918 174.129 174.900 0.245 0.000 1.361 204 G CA -0.470 44.804 45.100 0.289 0.000 1.047 204 G HN 0.204 nan 8.290 nan 0.000 0.540 205 I N 0.507 121.098 120.570 0.035 0.000 2.534 205 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 205 I C -0.799 175.233 176.117 -0.142 0.000 1.077 205 I CA -0.403 60.799 61.300 -0.163 0.000 1.051 205 I CB 1.728 39.518 38.000 -0.350 0.000 1.234 205 I HN 0.343 nan 8.210 nan 0.000 0.425 206 L N 7.468 128.531 121.223 -0.268 0.000 2.305 206 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 206 L C -0.427 176.193 176.870 -0.416 0.000 1.085 206 L CA -0.427 54.173 54.840 -0.400 0.000 0.813 206 L CB 0.852 42.427 42.059 -0.806 0.000 1.157 206 L HN 0.540 nan 8.230 nan 0.000 0.436 207 I N 0.854 121.253 120.570 -0.284 0.000 2.465 207 I HA 0.449 4.619 4.170 -0.000 0.000 0.291 207 I C -1.059 174.991 176.117 -0.112 0.000 1.014 207 I CA -0.704 60.459 61.300 -0.229 0.000 1.093 207 I CB 1.830 39.696 38.000 -0.223 0.000 1.267 207 I HN 0.383 nan 8.210 nan 0.000 0.431 208 D N 5.200 125.528 120.400 -0.121 0.000 2.467 208 D HA 0.189 4.829 4.640 -0.000 0.000 0.220 208 D C 0.418 176.796 176.300 0.131 0.000 1.103 208 D CA -0.225 53.776 54.000 0.002 0.000 0.886 208 D CB 1.339 42.109 40.800 -0.049 0.000 1.025 208 D HN 0.775 nan 8.370 nan 0.000 0.514 209 T N -0.184 114.510 114.554 0.233 0.000 3.275 209 T HA 0.203 4.553 4.350 -0.000 0.000 0.265 209 T C 0.904 175.780 174.700 0.294 0.000 0.978 209 T CA -0.378 61.896 62.100 0.291 0.000 0.923 209 T CB 0.321 69.462 68.868 0.455 0.000 1.126 209 T HN 0.106 nan 8.240 nan 0.000 0.538 210 S N 0.132 115.974 115.700 0.236 0.000 2.741 210 S HA 0.243 4.713 4.470 -0.000 0.000 0.245 210 S C 1.837 176.550 174.600 0.189 0.000 1.083 210 S CA -0.252 58.051 58.200 0.172 0.000 0.873 210 S CB 0.111 63.389 63.200 0.131 0.000 0.814 210 S HN 0.350 nan 8.310 nan 0.000 0.476 211 R N 0.839 121.435 120.500 0.160 0.000 2.066 211 R HA 0.227 4.567 4.340 -0.000 0.000 0.232 211 R C 0.062 176.358 176.300 -0.007 0.000 1.131 211 R CA 1.333 57.452 56.100 0.031 0.000 0.955 211 R CB -0.238 29.982 30.300 -0.132 0.000 0.851 211 R HN 0.518 nan 8.270 nan 0.000 0.432 212 H N -1.890 117.357 119.070 0.294 0.000 2.823 212 H HA 0.165 4.721 4.556 -0.000 0.000 0.332 212 H C -1.485 174.055 175.328 0.353 0.000 0.980 212 H CA -1.101 55.129 56.048 0.304 0.000 1.286 212 H CB 1.258 31.113 29.762 0.154 0.000 1.541 212 H HN 0.058 nan 8.280 nan 0.000 0.521 213 Y N 4.428 125.034 120.300 0.511 0.000 2.620 213 Y HA 0.104 4.654 4.550 -0.000 0.000 0.330 213 Y C -0.864 175.187 175.900 0.252 0.000 1.186 213 Y CA -0.123 58.213 58.100 0.394 0.000 1.467 213 Y CB 0.326 39.056 38.460 0.449 0.000 1.262 213 Y HN 0.446 nan 8.280 nan 0.000 0.550 214 L N 9.195 130.112 121.223 -0.510 0.000 2.307 214 L HA 0.444 4.784 4.340 -0.000 0.000 0.284 214 L C -2.289 174.206 176.870 -0.626 0.000 1.023 214 L CA -2.403 52.225 54.840 -0.352 0.000 0.810 214 L CB 1.331 43.311 42.059 -0.132 0.000 1.231 214 L HN 0.542 nan 8.230 nan 0.000 0.423 215 P HA -0.007 nan 4.420 nan 0.000 0.266 215 P C 0.995 178.249 177.300 -0.076 0.000 1.195 215 P CA -0.243 62.827 63.100 -0.051 0.000 0.768 215 P CB 0.834 32.536 31.700 0.003 0.000 0.838 216 V N 3.366 123.270 119.914 -0.015 0.000 2.469 216 V HA -0.271 3.849 4.120 -0.000 0.000 0.251 216 V C 2.028 178.064 176.094 -0.097 0.000 1.064 216 V CA 1.854 64.150 62.300 -0.008 0.000 1.066 216 V CB -1.068 30.778 31.823 0.038 0.000 0.667 216 V HN 0.629 nan 8.190 nan 0.000 0.461 217 K N -0.309 120.039 120.400 -0.086 0.000 2.147 217 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 217 K C 2.099 178.631 176.600 -0.113 0.000 1.049 217 K CA 1.609 57.830 56.287 -0.110 0.000 0.936 217 K CB -0.237 32.222 32.500 -0.069 0.000 0.722 217 K HN 0.431 nan 8.250 nan 0.000 0.446 218 I N 0.818 121.334 120.570 -0.091 0.000 2.406 218 I HA -0.204 3.966 4.170 -0.000 0.000 0.249 218 I C 1.886 177.938 176.117 -0.108 0.000 1.122 218 I CA 0.842 62.095 61.300 -0.078 0.000 1.431 218 I CB 0.138 38.105 38.000 -0.054 0.000 1.087 218 I HN 0.129 nan 8.210 nan 0.000 0.424 219 I N 0.599 121.076 120.570 -0.155 0.000 2.163 219 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 219 I C 2.321 178.312 176.117 -0.209 0.000 1.085 219 I CA 1.504 62.669 61.300 -0.225 0.000 1.347 219 I CB -0.324 37.484 38.000 -0.320 0.000 1.044 219 I HN 0.239 nan 8.210 nan 0.000 0.408 220 L N 0.219 121.288 121.223 -0.256 0.000 2.093 220 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 220 L C 2.520 179.321 176.870 -0.115 0.000 1.085 220 L CA 1.370 55.995 54.840 -0.357 0.000 0.755 220 L CB -0.686 40.881 42.059 -0.819 0.000 0.904 220 L HN 0.215 nan 8.230 nan 0.000 0.435 221 K N -0.411 119.924 120.400 -0.107 0.000 2.148 221 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 221 K C 2.091 178.647 176.600 -0.074 0.000 1.050 221 K CA 1.470 57.722 56.287 -0.058 0.000 0.942 221 K CB -0.178 32.296 32.500 -0.043 0.000 0.724 221 K HN 0.276 nan 8.250 nan 0.000 0.446 222 T N 2.133 116.662 114.554 -0.043 0.000 2.720 222 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 222 T C 1.864 176.534 174.700 -0.049 0.000 1.037 222 T CA 1.082 63.193 62.100 0.018 0.000 1.144 222 T CB -0.124 68.738 68.868 -0.010 0.000 0.864 222 T HN 0.128 nan 8.240 nan 0.000 0.444 223 L N 0.592 121.786 121.223 -0.049 0.000 2.093 223 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 223 L C 2.409 179.187 176.870 -0.154 0.000 1.085 223 L CA 1.005 55.827 54.840 -0.030 0.000 0.755 223 L CB -0.520 41.605 42.059 0.111 0.000 0.904 223 L HN 0.130 nan 8.230 nan 0.000 0.435 224 D N 0.427 120.700 120.400 -0.211 0.000 2.117 224 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 224 D C 2.255 177.864 176.300 -1.153 0.000 0.987 224 D CA 1.489 55.130 54.000 -0.599 0.000 0.829 224 D CB -0.059 40.502 40.800 -0.399 0.000 0.961 224 D HN 0.276 nan 8.370 nan 0.000 0.460 225 A N 0.173 122.531 122.820 -0.771 0.000 2.015 225 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 225 A C 2.175 179.347 177.584 -0.687 0.000 1.163 225 A CA 0.999 52.524 52.037 -0.854 0.000 0.646 225 A CB -0.472 17.857 19.000 -1.118 0.000 0.806 225 A HN 0.160 nan 8.150 nan 0.000 0.448 226 M N -0.763 118.618 119.600 -0.364 0.000 2.175 226 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 226 M C 2.517 178.833 176.300 0.026 0.000 1.063 226 M CA 1.270 56.547 55.300 -0.038 0.000 1.119 226 M CB -0.343 32.273 32.600 0.028 0.000 1.377 226 M HN 0.488 nan 8.290 nan 0.000 0.415 227 A N 0.282 122.996 122.820 -0.177 0.000 1.898 227 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 227 A C 1.686 179.281 177.584 0.019 0.000 1.181 227 A CA 1.335 53.312 52.037 -0.100 0.000 0.620 227 A CB -0.823 18.064 19.000 -0.188 0.000 0.819 227 A HN 0.407 nan 8.150 nan 0.000 0.442 228 F N 0.447 120.360 119.950 -0.062 0.000 2.365 228 F HA -0.040 4.487 4.527 -0.000 0.000 0.300 228 F C 1.745 177.563 175.800 0.030 0.000 1.090 228 F CA 0.661 58.623 58.000 -0.064 0.000 1.408 228 F CB -0.556 38.335 39.000 -0.182 0.000 1.060 228 F HN 0.236 nan 8.300 nan 0.000 0.534 229 N N 0.024 118.865 118.700 0.236 0.000 2.205 229 N HA 0.009 4.749 4.740 -0.000 0.000 0.201 229 N C 0.099 175.696 175.510 0.145 0.000 1.128 229 N CA 0.144 53.373 53.050 0.299 0.000 0.867 229 N CB 0.207 39.030 38.487 0.559 0.000 0.996 229 N HN 0.157 nan 8.380 nan 0.000 0.503 230 K N 0.017 120.459 120.400 0.070 0.000 3.117 230 K HA -0.174 4.146 4.320 -0.000 0.000 0.269 230 K C -0.692 175.923 176.600 0.025 0.000 1.098 230 K CA 0.397 56.654 56.287 -0.050 0.000 0.785 230 K CB -1.905 30.344 32.500 -0.418 0.000 1.242 230 K HN 0.096 nan 8.250 nan 0.000 0.491 231 F N 1.360 121.371 119.950 0.101 0.000 2.406 231 F HA 0.111 4.638 4.527 -0.000 0.000 0.327 231 F C 1.818 177.662 175.800 0.073 0.000 1.153 231 F CA 0.407 58.475 58.000 0.113 0.000 1.218 231 F CB 0.467 39.546 39.000 0.131 0.000 1.215 231 F HN 0.220 nan 8.300 nan 0.000 0.570 232 N N -0.797 118.037 118.700 0.224 0.000 2.036 232 N HA 0.081 4.821 4.740 -0.000 0.000 0.228 232 N C -1.368 174.143 175.510 0.002 0.000 1.368 232 N CA 0.247 53.354 53.050 0.094 0.000 0.846 232 N CB 0.331 38.858 38.487 0.067 0.000 1.145 232 N HN 0.196 nan 8.380 nan 0.000 0.502 233 V N 1.698 121.601 119.914 -0.018 0.000 2.686 233 V HA 0.462 4.582 4.120 -0.000 0.000 0.306 233 V C -0.990 175.109 176.094 0.009 0.000 1.065 233 V CA -0.926 61.325 62.300 -0.080 0.000 0.894 233 V CB 2.214 33.829 31.823 -0.347 0.000 1.004 233 V HN 0.125 nan 8.190 nan 0.000 0.424 234 L N 3.963 125.201 121.223 0.025 0.000 2.259 234 L HA 0.490 4.830 4.340 -0.000 0.000 0.288 234 L C 0.136 177.053 176.870 0.077 0.000 1.051 234 L CA -0.058 54.796 54.840 0.022 0.000 0.824 234 L CB 0.416 42.457 42.059 -0.030 0.000 1.206 234 L HN 0.775 nan 8.230 nan 0.000 0.429 235 H N 5.101 124.162 119.070 -0.013 0.000 3.291 235 H HA 0.020 4.576 4.556 -0.000 0.000 0.256 235 H C -0.896 174.442 175.328 0.017 0.000 1.315 235 H CA -0.196 55.848 56.048 -0.006 0.000 1.521 235 H CB 0.219 29.950 29.762 -0.052 0.000 1.621 235 H HN 0.672 nan 8.280 nan 0.000 0.498 236 W N 7.747 129.028 121.300 -0.032 0.000 2.247 236 W HA 0.047 4.707 4.660 -0.000 0.000 0.394 236 W C -0.253 176.187 176.519 -0.132 0.000 0.939 236 W CA -0.773 56.513 57.345 -0.099 0.000 1.548 236 W CB -0.737 28.642 29.460 -0.136 0.000 1.610 236 W HN 0.640 nan 8.180 nan 0.000 0.336 237 H N 6.136 125.301 119.070 0.159 0.000 3.356 237 H HA -0.007 4.549 4.556 -0.000 0.000 0.260 237 H C 1.216 176.439 175.328 -0.175 0.000 1.570 237 H CA 0.567 56.576 56.048 -0.064 0.000 1.547 237 H CB 0.003 29.676 29.762 -0.148 0.000 1.774 237 H HN 0.589 nan 8.280 nan 0.000 0.542 238 I N 4.321 124.480 120.570 -0.686 0.000 2.876 238 I HA -0.082 4.088 4.170 -0.000 0.000 0.264 238 I C -0.049 175.705 176.117 -0.604 0.000 1.204 238 I CA 0.356 61.106 61.300 -0.916 0.000 1.485 238 I CB 0.400 37.297 38.000 -1.838 0.000 1.103 238 I HN 0.262 nan 8.210 nan 0.000 0.446 239 V N -2.544 116.990 119.914 -0.633 0.000 3.078 239 V HA 0.682 4.802 4.120 -0.000 0.000 0.311 239 V C -1.074 174.983 176.094 -0.061 0.000 1.138 239 V CA -0.768 61.310 62.300 -0.369 0.000 1.007 239 V CB 1.960 33.407 31.823 -0.627 0.000 1.045 239 V HN 0.053 nan 8.190 nan 0.000 0.432 240 D N -0.402 120.103 120.400 0.176 0.000 2.809 240 D HA 0.163 4.803 4.640 -0.000 0.000 0.336 240 D C 0.009 176.483 176.300 0.290 0.000 1.367 240 D CA -0.071 54.119 54.000 0.317 0.000 0.815 240 D CB 2.243 43.278 40.800 0.391 0.000 1.381 240 D HN 0.653 nan 8.370 nan 0.000 0.471 241 D N 0.046 120.591 120.400 0.241 0.000 2.170 241 D HA -0.225 4.415 4.640 -0.000 0.000 0.193 241 D C 1.537 177.898 176.300 0.103 0.000 1.004 241 D CA 1.782 55.868 54.000 0.142 0.000 0.860 241 D CB 0.271 41.098 40.800 0.045 0.000 0.931 241 D HN 0.280 nan 8.370 nan 0.000 0.448 242 Q N 0.390 120.242 119.800 0.086 0.000 1.967 242 Q HA -0.043 4.297 4.340 -0.000 0.000 0.202 242 Q C 1.035 176.966 176.000 -0.115 0.000 0.985 242 Q CA 0.990 56.823 55.803 0.051 0.000 0.839 242 Q CB 0.049 28.857 28.738 0.118 0.000 0.906 242 Q HN 0.284 nan 8.270 nan 0.000 0.423 243 S N -1.826 113.744 115.700 -0.217 0.000 2.595 243 S HA 0.591 5.061 4.470 -0.000 0.000 0.281 243 S C -1.320 173.237 174.600 -0.071 0.000 1.117 243 S CA -0.923 57.045 58.200 -0.387 0.000 0.873 243 S CB 1.172 63.708 63.200 -1.107 0.000 1.108 243 S HN 0.156 nan 8.310 nan 0.000 0.477 244 F N 2.738 122.591 119.950 -0.162 0.000 2.453 244 F HA 0.518 5.045 4.527 -0.000 0.000 0.358 244 F C -2.365 173.439 175.800 0.006 0.000 1.129 244 F CA -2.136 55.812 58.000 -0.087 0.000 1.200 244 F CB 2.043 40.945 39.000 -0.162 0.000 1.431 244 F HN 0.433 nan 8.300 nan 0.000 0.503 245 P HA -0.057 nan 4.420 nan 0.000 0.249 245 P C -0.518 176.958 177.300 0.292 0.000 1.229 245 P CA 0.488 63.722 63.100 0.222 0.000 0.788 245 P CB -0.314 31.673 31.700 0.478 0.000 1.072 246 Y N 2.070 122.320 120.300 -0.084 0.000 2.539 246 Y HA 0.183 4.733 4.550 -0.000 0.000 0.352 246 Y C 0.669 176.714 175.900 0.243 0.000 1.004 246 Y CA -0.720 57.386 58.100 0.009 0.000 1.278 246 Y CB -0.010 38.321 38.460 -0.215 0.000 1.136 246 Y HN -0.128 nan 8.280 nan 0.000 0.528 247 Q N 4.719 124.345 119.800 -0.290 0.000 2.289 247 Q HA 0.148 4.488 4.340 -0.000 0.000 0.273 247 Q C -0.766 174.806 176.000 -0.712 0.000 1.029 247 Q CA 0.117 55.738 55.803 -0.303 0.000 0.896 247 Q CB 0.574 29.212 28.738 -0.167 0.000 1.182 247 Q HN 0.720 nan 8.270 nan 0.000 0.385 248 S N 3.547 119.082 115.700 -0.275 0.000 2.482 248 S HA 0.370 4.840 4.470 -0.000 0.000 0.303 248 S C 0.971 175.544 174.600 -0.046 0.000 1.091 248 S CA -0.712 57.415 58.200 -0.122 0.000 1.057 248 S CB 0.790 64.198 63.200 0.347 0.000 1.031 248 S HN 0.725 nan 8.310 nan 0.000 0.485 249 I N 3.191 123.717 120.570 -0.072 0.000 2.133 249 I HA -0.137 4.033 4.170 -0.000 0.000 0.238 249 I C 2.410 178.460 176.117 -0.111 0.000 1.074 249 I CA 1.312 62.563 61.300 -0.082 0.000 1.342 249 I CB -0.791 37.157 38.000 -0.087 0.000 1.053 249 I HN 0.614 nan 8.210 nan 0.000 0.404 250 T N 0.686 115.134 114.554 -0.176 0.000 2.708 250 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 250 T C 0.388 174.706 174.700 -0.637 0.000 1.037 250 T CA 1.327 63.153 62.100 -0.455 0.000 1.146 250 T CB -0.388 68.102 68.868 -0.630 0.000 0.865 250 T HN 0.066 nan 8.240 nan 0.000 0.435 251 F N 1.792 121.816 119.950 0.123 0.000 2.451 251 F HA 0.368 4.895 4.527 -0.000 0.000 0.367 251 F C -1.860 173.974 175.800 0.057 0.000 1.100 251 F CA -2.836 55.234 58.000 0.118 0.000 1.171 251 F CB 1.445 40.577 39.000 0.221 0.000 1.405 251 F HN -0.094 nan 8.300 nan 0.000 0.482 252 P HA -0.182 nan 4.420 nan 0.000 0.218 252 P C 1.163 178.493 177.300 0.049 0.000 1.148 252 P CA 1.454 64.588 63.100 0.058 0.000 0.822 252 P CB 0.504 32.217 31.700 0.021 0.000 0.784 253 E N -0.102 120.130 120.200 0.053 0.000 2.265 253 E HA -0.069 4.281 4.350 -0.000 0.000 0.196 253 E C 2.229 178.779 176.600 -0.083 0.000 0.996 253 E CA 0.476 56.871 56.400 -0.007 0.000 0.832 253 E CB -0.818 28.877 29.700 -0.009 0.000 0.756 253 E HN 0.358 nan 8.360 nan 0.000 0.491 254 L N 0.996 122.141 121.223 -0.130 0.000 2.079 254 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 254 L C 2.375 179.068 176.870 -0.294 0.000 1.081 254 L CA 1.713 56.285 54.840 -0.446 0.000 0.752 254 L CB -0.402 41.228 42.059 -0.716 0.000 0.896 254 L HN 0.162 nan 8.230 nan 0.000 0.433 255 S N -1.727 113.988 115.700 0.025 0.000 2.439 255 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 255 S C 1.628 176.264 174.600 0.060 0.000 1.029 255 S CA 0.369 58.673 58.200 0.174 0.000 0.946 255 S CB -0.320 62.986 63.200 0.176 0.000 0.797 255 S HN 0.305 nan 8.310 nan 0.000 0.504 256 N N 1.866 120.574 118.700 0.013 0.000 2.166 256 N HA 0.039 4.779 4.740 -0.000 0.000 0.186 256 N C 1.373 176.876 175.510 -0.011 0.000 1.019 256 N CA 1.111 54.161 53.050 -0.000 0.000 0.856 256 N CB -0.054 38.430 38.487 -0.006 0.000 0.993 256 N HN 0.399 nan 8.380 nan 0.000 0.426 257 K N -1.661 118.720 120.400 -0.032 0.000 2.402 257 K HA 0.290 4.610 4.320 -0.000 0.000 0.203 257 K C 1.326 177.901 176.600 -0.042 0.000 1.077 257 K CA 0.196 56.460 56.287 -0.038 0.000 1.051 257 K CB 1.053 33.520 32.500 -0.056 0.000 0.907 257 K HN 0.110 nan 8.250 nan 0.000 0.554 258 G N 1.655 110.431 108.800 -0.039 0.000 2.838 258 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.210 258 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.210 258 G C 0.651 175.566 174.900 0.025 0.000 1.153 258 G CA 0.062 45.153 45.100 -0.016 0.000 0.778 258 G HN 0.266 nan 8.290 nan 0.000 0.539 259 S N -0.889 114.825 115.700 0.023 0.000 2.632 259 S HA 0.407 4.877 4.470 -0.000 0.000 0.271 259 S C 0.950 175.521 174.600 -0.048 0.000 1.260 259 S CA -0.700 57.484 58.200 -0.026 0.000 1.010 259 S CB 1.130 64.351 63.200 0.036 0.000 0.965 259 S HN 0.133 nan 8.310 nan 0.000 0.534 260 Y N 2.132 122.425 120.300 -0.011 0.000 2.030 260 Y HA -0.036 4.514 4.550 -0.000 0.000 0.274 260 Y C 1.793 177.604 175.900 -0.148 0.000 1.153 260 Y CA 1.405 59.438 58.100 -0.112 0.000 1.115 260 Y CB -0.879 37.433 38.460 -0.246 0.000 0.969 260 Y HN 0.958 nan 8.280 nan 0.000 0.488 261 S N -2.225 113.469 115.700 -0.011 0.000 2.618 261 S HA 0.375 4.845 4.470 -0.000 0.000 0.277 261 S C 0.050 174.675 174.600 0.042 0.000 1.138 261 S CA -0.796 57.403 58.200 -0.000 0.000 0.844 261 S CB 1.407 64.591 63.200 -0.026 0.000 1.127 261 S HN 0.014 nan 8.310 nan 0.000 0.474 262 L N 1.905 123.143 121.223 0.026 0.000 2.551 262 L HA -0.000 4.340 4.340 -0.000 0.000 0.230 262 L C 2.409 179.271 176.870 -0.013 0.000 1.163 262 L CA 1.673 56.517 54.840 0.007 0.000 0.826 262 L CB -0.824 41.236 42.059 0.002 0.000 0.943 262 L HN 0.928 nan 8.230 nan 0.000 0.452 263 S N -3.283 112.422 115.700 0.009 0.000 2.511 263 S HA 0.056 4.526 4.470 -0.000 0.000 0.214 263 S C 1.029 175.448 174.600 -0.302 0.000 0.997 263 S CA -0.239 57.909 58.200 -0.087 0.000 0.908 263 S CB -0.311 62.855 63.200 -0.058 0.000 0.803 263 S HN 0.468 nan 8.310 nan 0.000 0.504 264 H N 1.415 120.237 119.070 -0.413 0.000 2.553 264 H HA 0.542 5.098 4.556 -0.000 0.000 0.222 264 H C -0.920 174.019 175.328 -0.648 0.000 1.779 264 H CA -0.152 55.374 56.048 -0.871 0.000 1.241 264 H CB 0.151 29.659 29.762 -0.424 0.000 1.647 264 H HN 0.178 nan 8.280 nan 0.000 0.523 265 V N 1.367 121.020 119.914 -0.436 0.000 2.925 265 V HA 0.147 4.266 4.120 -0.000 0.000 0.311 265 V C -0.812 175.248 176.094 -0.055 0.000 1.104 265 V CA -0.919 61.318 62.300 -0.104 0.000 0.954 265 V CB 2.367 34.172 31.823 -0.029 0.000 1.022 265 V HN 0.386 nan 8.190 nan 0.000 0.427 266 Y N 2.349 122.774 120.300 0.208 0.000 2.594 266 Y HA 0.381 4.931 4.550 -0.000 0.000 0.342 266 Y C 1.330 177.267 175.900 0.062 0.000 1.010 266 Y CA -0.474 57.756 58.100 0.217 0.000 1.270 266 Y CB 1.094 39.731 38.460 0.295 0.000 1.125 266 Y HN 0.789 nan 8.280 nan 0.000 0.513 267 T N 0.428 115.075 114.554 0.154 0.000 2.856 267 T HA 0.068 4.418 4.350 -0.000 0.000 0.306 267 T C -1.692 173.039 174.700 0.052 0.000 1.062 267 T CA -1.582 60.549 62.100 0.051 0.000 1.083 267 T CB 1.125 70.013 68.868 0.033 0.000 0.984 267 T HN 0.267 nan 8.240 nan 0.000 0.542 268 P HA -0.124 nan 4.420 nan 0.000 0.216 268 P C 1.328 178.642 177.300 0.023 0.000 1.154 268 P CA 1.320 64.413 63.100 -0.011 0.000 0.865 268 P CB -0.050 31.631 31.700 -0.031 0.000 0.789 269 N N -1.544 117.176 118.700 0.034 0.000 2.416 269 N HA -0.092 4.648 4.740 -0.000 0.000 0.177 269 N C 1.351 176.905 175.510 0.073 0.000 1.036 269 N CA 0.709 53.785 53.050 0.043 0.000 0.901 269 N CB -0.364 38.142 38.487 0.032 0.000 0.976 269 N HN -0.082 nan 8.380 nan 0.000 0.444 270 D N -0.345 120.122 120.400 0.112 0.000 2.097 270 D HA -0.114 4.526 4.640 -0.000 0.000 0.195 270 D C 1.914 178.339 176.300 0.210 0.000 0.989 270 D CA 0.978 55.084 54.000 0.177 0.000 0.827 270 D CB -0.181 40.785 40.800 0.276 0.000 0.966 270 D HN 0.084 nan 8.370 nan 0.000 0.456 271 V N 1.207 121.252 119.914 0.218 0.000 2.255 271 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 271 V C 2.611 178.744 176.094 0.065 0.000 1.051 271 V CA 1.753 64.165 62.300 0.187 0.000 1.018 271 V CB -0.545 31.325 31.823 0.080 0.000 0.641 271 V HN 0.127 nan 8.190 nan 0.000 0.445 272 R N -0.480 120.039 120.500 0.032 0.000 2.091 272 R HA -0.197 4.143 4.340 -0.000 0.000 0.238 272 R C 2.364 178.707 176.300 0.073 0.000 1.136 272 R CA 2.179 58.295 56.100 0.026 0.000 0.959 272 R CB -0.300 30.018 30.300 0.030 0.000 0.856 272 R HN 0.522 nan 8.270 nan 0.000 0.437 273 M N 0.049 119.695 119.600 0.077 0.000 2.159 273 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 273 M C 1.759 178.112 176.300 0.088 0.000 1.063 273 M CA 1.463 56.810 55.300 0.078 0.000 1.110 273 M CB 0.191 32.816 32.600 0.043 0.000 1.374 273 M HN 0.051 nan 8.290 nan 0.000 0.411 274 V N 0.454 120.404 119.914 0.060 0.000 2.283 274 V HA -0.266 3.854 4.120 -0.000 0.000 0.243 274 V C 2.215 178.379 176.094 0.117 0.000 1.039 274 V CA 1.974 64.293 62.300 0.032 0.000 1.016 274 V CB -0.650 31.123 31.823 -0.083 0.000 0.650 274 V HN 0.501 nan 8.190 nan 0.000 0.449 275 I N -0.206 120.428 120.570 0.106 0.000 2.151 275 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 275 I C 2.678 178.960 176.117 0.275 0.000 1.080 275 I CA 1.667 63.046 61.300 0.133 0.000 1.339 275 I CB -0.412 37.584 38.000 -0.005 0.000 1.039 275 I HN 0.308 nan 8.210 nan 0.000 0.409 276 E N -0.261 120.100 120.200 0.267 0.000 2.158 276 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 276 E C 1.971 178.697 176.600 0.209 0.000 0.982 276 E CA 0.954 57.519 56.400 0.276 0.000 0.823 276 E CB -0.159 29.668 29.700 0.210 0.000 0.766 276 E HN 0.556 nan 8.360 nan 0.000 0.468 277 Y N 0.833 121.179 120.300 0.077 0.000 2.373 277 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 277 Y C 2.069 177.992 175.900 0.039 0.000 1.129 277 Y CA 1.232 59.355 58.100 0.038 0.000 1.226 277 Y CB 0.068 38.533 38.460 0.008 0.000 1.000 277 Y HN 0.013 nan 8.280 nan 0.000 0.549 278 A N 0.269 123.213 122.820 0.206 0.000 1.898 278 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 278 A C 2.317 179.978 177.584 0.128 0.000 1.183 278 A CA 1.144 53.265 52.037 0.140 0.000 0.622 278 A CB -0.604 18.488 19.000 0.153 0.000 0.824 278 A HN 0.441 nan 8.150 nan 0.000 0.444 279 R N -0.186 120.430 120.500 0.193 0.000 2.081 279 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 279 R C 1.306 177.679 176.300 0.123 0.000 1.131 279 R CA 1.213 57.432 56.100 0.198 0.000 0.960 279 R CB -0.403 29.983 30.300 0.144 0.000 0.856 279 R HN 0.503 nan 8.270 nan 0.000 0.436 280 L N 0.343 121.578 121.223 0.019 0.000 2.749 280 L HA -0.057 4.283 4.340 -0.000 0.000 0.245 280 L C 1.486 178.329 176.870 -0.046 0.000 1.156 280 L CA 0.838 55.648 54.840 -0.049 0.000 0.890 280 L CB -0.038 41.941 42.059 -0.132 0.000 1.036 280 L HN 0.175 nan 8.230 nan 0.000 0.441 281 R N -1.581 118.933 120.500 0.023 0.000 2.582 281 R HA 0.203 4.543 4.340 -0.000 0.000 0.285 281 R C 0.988 177.373 176.300 0.141 0.000 0.940 281 R CA 0.491 56.614 56.100 0.039 0.000 1.072 281 R CB 1.128 31.394 30.300 -0.057 0.000 1.527 281 R HN 0.152 nan 8.270 nan 0.000 0.538 282 G N 1.555 110.489 108.800 0.223 0.000 2.140 282 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.211 282 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.211 282 G C -0.247 174.705 174.900 0.087 0.000 1.013 282 G CA -0.303 44.955 45.100 0.264 0.000 0.705 282 G HN 0.097 nan 8.290 nan 0.000 0.508 283 I N 0.384 121.005 120.570 0.086 0.000 2.359 283 I HA 0.525 4.695 4.170 -0.000 0.000 0.294 283 I C 0.854 177.011 176.117 0.067 0.000 0.987 283 I CA -0.811 60.527 61.300 0.062 0.000 1.225 283 I CB 1.309 39.351 38.000 0.069 0.000 1.366 283 I HN 0.101 nan 8.210 nan 0.000 0.466 284 R N 4.061 124.580 120.500 0.032 0.000 2.357 284 R HA 0.528 4.868 4.340 -0.000 0.000 0.296 284 R C -1.056 175.299 176.300 0.091 0.000 1.052 284 R CA -0.513 55.623 56.100 0.059 0.000 0.988 284 R CB 1.129 31.442 30.300 0.022 0.000 1.025 284 R HN 0.344 nan 8.270 nan 0.000 0.469 285 V N 5.363 125.364 119.914 0.145 0.000 2.334 285 V HA 0.147 4.267 4.120 -0.000 0.000 0.267 285 V C -0.611 175.614 176.094 0.217 0.000 1.040 285 V CA -0.629 61.801 62.300 0.217 0.000 0.866 285 V CB 1.011 33.028 31.823 0.325 0.000 1.019 285 V HN 0.443 nan 8.190 nan 0.000 0.468 286 L N 9.940 131.227 121.223 0.106 0.000 2.268 286 L HA 0.587 4.927 4.340 -0.000 0.000 0.289 286 L C -2.231 174.547 176.870 -0.153 0.000 1.064 286 L CA -1.954 52.869 54.840 -0.028 0.000 0.824 286 L CB 1.040 43.053 42.059 -0.077 0.000 1.202 286 L HN 0.342 nan 8.230 nan 0.000 0.433 287 P HA 0.172 nan 4.420 nan 0.000 0.281 287 P C -1.130 175.944 177.300 -0.377 0.000 1.252 287 P CA -0.214 62.469 63.100 -0.695 0.000 0.778 287 P CB 0.995 31.767 31.700 -1.546 0.000 0.895 288 E N 3.218 123.147 120.200 -0.453 0.000 2.191 288 E HA 0.390 4.740 4.350 -0.000 0.000 0.263 288 E C -1.547 174.751 176.600 -0.505 0.000 0.881 288 E CA -0.667 55.559 56.400 -0.289 0.000 0.757 288 E CB 0.712 30.288 29.700 -0.207 0.000 1.147 288 E HN 0.285 nan 8.360 nan 0.000 0.414 289 F N 3.179 123.103 119.950 -0.044 0.000 2.430 289 F HA 0.202 4.728 4.527 -0.000 0.000 0.362 289 F C 0.379 176.315 175.800 0.226 0.000 1.103 289 F CA -0.962 57.119 58.000 0.136 0.000 1.045 289 F CB 1.145 40.296 39.000 0.253 0.000 1.276 289 F HN 0.313 nan 8.300 nan 0.000 0.444 290 D N 3.096 123.634 120.400 0.230 0.000 2.417 290 D HA 0.166 4.806 4.640 -0.000 0.000 0.250 290 D C -0.244 176.098 176.300 0.070 0.000 1.166 290 D CA 0.634 54.745 54.000 0.186 0.000 0.881 290 D CB 1.057 41.944 40.800 0.147 0.000 1.164 290 D HN 0.604 nan 8.370 nan 0.000 0.467 291 T N 1.171 115.811 114.554 0.143 0.000 2.933 291 T HA 0.443 4.793 4.350 -0.000 0.000 0.305 291 T C -2.394 172.428 174.700 0.203 0.000 1.092 291 T CA -1.301 60.852 62.100 0.088 0.000 1.008 291 T CB 2.459 71.495 68.868 0.281 0.000 1.102 291 T HN 0.076 nan 8.240 nan 0.000 0.469 292 P HA 0.215 nan 4.420 nan 0.000 0.245 292 P C 0.977 178.128 177.300 -0.248 0.000 1.203 292 P CA 0.211 63.138 63.100 -0.289 0.000 0.792 292 P CB -0.096 31.248 31.700 -0.594 0.000 0.997 293 G N 0.163 108.878 108.800 -0.141 0.000 2.606 293 G HA2 0.065 4.025 3.960 -0.000 0.000 0.252 293 G HA3 0.065 4.025 3.960 -0.000 0.000 0.252 293 G C -0.215 174.677 174.900 -0.012 0.000 1.206 293 G CA -0.053 44.959 45.100 -0.146 0.000 0.861 293 G HN 0.330 nan 8.290 nan 0.000 0.561 294 H N -0.782 118.189 119.070 -0.166 0.000 2.750 294 H HA -0.176 4.380 4.556 -0.000 0.000 0.327 294 H C 0.776 176.043 175.328 -0.101 0.000 1.199 294 H CA 1.131 57.127 56.048 -0.088 0.000 1.149 294 H CB -1.820 27.944 29.762 0.003 0.000 1.543 294 H HN 0.742 nan 8.280 nan 0.000 0.427 295 T N -2.776 111.711 114.554 -0.112 0.000 3.399 295 T HA 0.314 4.664 4.350 -0.000 0.000 0.305 295 T C 1.537 176.230 174.700 -0.013 0.000 0.983 295 T CA -0.370 61.585 62.100 -0.243 0.000 0.967 295 T CB 0.086 68.590 68.868 -0.607 0.000 1.186 295 T HN 0.218 nan 8.240 nan 0.000 0.504 296 L N 1.636 122.882 121.223 0.039 0.000 2.217 296 L HA -0.017 4.323 4.340 -0.000 0.000 0.211 296 L C 2.864 179.772 176.870 0.062 0.000 1.107 296 L CA 1.490 56.342 54.840 0.019 0.000 0.783 296 L CB -0.375 41.684 42.059 -0.000 0.000 0.919 296 L HN 0.496 nan 8.230 nan 0.000 0.442 297 S N -1.509 114.305 115.700 0.189 0.000 2.453 297 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 297 S C 1.514 176.181 174.600 0.111 0.000 1.005 297 S CA 0.214 58.509 58.200 0.159 0.000 0.949 297 S CB -0.553 62.778 63.200 0.219 0.000 0.774 297 S HN 0.420 nan 8.310 nan 0.000 0.510 298 W N 2.438 123.668 121.300 -0.116 0.000 2.381 298 W HA 0.287 4.946 4.660 -0.000 0.000 0.301 298 W C 2.625 178.931 176.519 -0.355 0.000 1.205 298 W CA 0.431 57.609 57.345 -0.277 0.000 1.285 298 W CB -1.235 28.105 29.460 -0.201 0.000 1.133 298 W HN 0.419 nan 8.180 nan 0.000 0.521 299 G N 0.179 108.925 108.800 -0.091 0.000 2.776 299 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.209 299 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.209 299 G C 1.567 176.277 174.900 -0.316 0.000 1.145 299 G CA 0.303 45.235 45.100 -0.280 0.000 0.791 299 G HN 0.048 nan 8.290 nan 0.000 0.530 300 K N 0.453 120.712 120.400 -0.234 0.000 2.076 300 K HA 0.000 4.320 4.320 -0.000 0.000 0.204 300 K C 1.856 178.341 176.600 -0.192 0.000 1.051 300 K CA 1.063 57.232 56.287 -0.198 0.000 0.949 300 K CB -0.040 32.376 32.500 -0.139 0.000 0.726 300 K HN 0.218 nan 8.250 nan 0.000 0.443 301 G N 1.221 109.883 108.800 -0.231 0.000 4.547 301 G HA2 0.123 4.082 3.960 -0.000 0.000 0.301 301 G HA3 0.123 4.082 3.960 -0.000 0.000 0.301 301 G C -0.571 174.168 174.900 -0.269 0.000 1.240 301 G CA -0.043 44.929 45.100 -0.212 0.000 0.970 301 G HN 0.042 nan 8.290 nan 0.000 0.574 302 Q N 0.917 120.531 119.800 -0.310 0.000 3.025 302 Q HA 0.190 4.530 4.340 -0.000 0.000 0.216 302 Q C -0.373 175.428 176.000 -0.331 0.000 0.828 302 Q CA -0.454 55.102 55.803 -0.412 0.000 0.806 302 Q CB 0.328 28.639 28.738 -0.711 0.000 1.423 302 Q HN 0.212 nan 8.270 nan 0.000 0.455 303 K N 2.655 122.919 120.400 -0.227 0.000 2.530 303 K HA -0.058 4.262 4.320 -0.000 0.000 0.280 303 K C -0.371 176.132 176.600 -0.162 0.000 1.004 303 K CA 1.009 57.199 56.287 -0.161 0.000 1.071 303 K CB 0.277 32.721 32.500 -0.093 0.000 0.876 303 K HN 0.725 nan 8.250 nan 0.000 0.487 304 D N 1.446 121.772 120.400 -0.124 0.000 2.945 304 D HA -0.215 4.425 4.640 -0.000 0.000 0.225 304 D C 0.718 176.946 176.300 -0.119 0.000 1.158 304 D CA 0.600 54.556 54.000 -0.074 0.000 0.805 304 D CB -0.549 40.231 40.800 -0.034 0.000 1.098 304 D HN 0.411 nan 8.370 nan 0.000 0.426 305 L N -0.030 121.072 121.223 -0.201 0.000 2.095 305 L HA 0.094 4.434 4.340 -0.000 0.000 0.204 305 L C 0.834 177.622 176.870 -0.138 0.000 1.080 305 L CA 1.394 56.097 54.840 -0.228 0.000 0.759 305 L CB 0.073 41.918 42.059 -0.357 0.000 0.914 305 L HN 0.120 nan 8.230 nan 0.000 0.439 306 L N 0.711 121.864 121.223 -0.117 0.000 2.326 306 L HA 0.231 4.571 4.340 -0.000 0.000 0.278 306 L C 0.207 177.139 176.870 0.104 0.000 1.092 306 L CA -0.577 54.245 54.840 -0.030 0.000 0.810 306 L CB 0.981 42.996 42.059 -0.073 0.000 1.153 306 L HN -0.014 nan 8.230 nan 0.000 0.439 307 T N 4.096 118.707 114.554 0.095 0.000 2.829 307 T HA 0.113 4.463 4.350 -0.000 0.000 0.293 307 T C -2.326 172.377 174.700 0.006 0.000 0.970 307 T CA -0.665 61.484 62.100 0.081 0.000 1.168 307 T CB 0.194 69.174 68.868 0.186 0.000 0.911 307 T HN 0.307 nan 8.240 nan 0.000 0.535 308 P HA 0.255 nan 4.420 nan 0.000 0.282 308 P C -0.508 176.399 177.300 -0.654 0.000 1.262 308 P CA -0.659 62.135 63.100 -0.511 0.000 0.773 308 P CB 0.273 31.634 31.700 -0.564 0.000 0.879 309 c N 4.620 122.879 118.600 -0.568 0.000 2.566 309 c HA 0.254 4.824 4.570 -0.000 0.000 0.393 309 c C 0.147 174.062 174.090 -0.292 0.000 1.309 309 c CA 0.068 56.173 56.329 -0.372 0.000 1.801 309 c CB -1.802 40.556 42.510 -0.253 0.000 2.493 309 c HN 0.525 nan 8.230 nan 0.000 0.575 310 Y N 2.297 122.543 120.300 -0.091 0.000 2.377 310 Y HA 0.628 5.178 4.550 -0.000 0.000 0.339 310 Y C 0.687 176.558 175.900 -0.048 0.000 1.011 310 Y CA -0.310 57.750 58.100 -0.068 0.000 1.093 310 Y CB 1.702 40.139 38.460 -0.039 0.000 1.201 310 Y HN 0.782 nan 8.280 nan 0.000 0.455 318 S N -0.580 114.979 115.700 -0.234 0.000 2.652 318 S HA 0.798 5.268 4.470 -0.000 0.000 0.267 318 S C -0.113 174.208 174.600 -0.465 0.000 1.201 318 S CA -0.472 57.605 58.200 -0.206 0.000 0.996 318 S CB 0.743 63.888 63.200 -0.092 0.000 1.054 318 S HN 0.225 nan 8.310 nan 0.000 0.561 319 F N -0.943 118.941 119.950 -0.109 0.000 2.563 319 F HA 0.686 5.213 4.527 -0.000 0.000 0.316 319 F C 1.034 176.732 175.800 -0.170 0.000 1.076 319 F CA -0.477 57.441 58.000 -0.136 0.000 0.921 319 F CB 1.958 40.890 39.000 -0.114 0.000 1.209 319 F HN 0.908 nan 8.300 nan 0.000 0.462 320 G N 0.959 109.740 108.800 -0.032 0.000 3.022 320 G HA2 0.595 4.555 3.960 -0.000 0.000 0.157 320 G HA3 0.595 4.555 3.960 -0.000 0.000 0.157 320 G C -2.622 172.149 174.900 -0.215 0.000 1.468 320 G CA -0.935 44.048 45.100 -0.194 0.000 1.058 320 G HN 0.366 nan 8.290 nan 0.000 0.581 321 P HA 0.370 nan 4.420 nan 0.000 0.328 321 P C -0.286 176.932 177.300 -0.137 0.000 1.305 321 P CA -0.778 62.129 63.100 -0.322 0.000 0.745 321 P CB 0.801 32.181 31.700 -0.533 0.000 1.462 322 I N 0.895 121.376 120.570 -0.148 0.000 2.517 322 I HA 0.033 4.203 4.170 -0.000 0.000 0.285 322 I C 1.085 177.241 176.117 0.064 0.000 1.106 322 I CA -0.105 61.127 61.300 -0.114 0.000 1.402 322 I CB -0.555 37.294 38.000 -0.251 0.000 1.399 322 I HN 0.232 nan 8.210 nan 0.000 0.535 323 N N 9.713 128.442 118.700 0.049 0.000 2.414 323 N HA 0.025 4.765 4.740 -0.000 0.000 0.268 323 N C -1.773 173.658 175.510 -0.132 0.000 1.286 323 N CA -1.132 51.917 53.050 -0.002 0.000 0.896 323 N CB 0.996 39.461 38.487 -0.037 0.000 1.093 323 N HN 0.320 nan 8.380 nan 0.000 0.480 324 P HA 0.107 nan 4.420 nan 0.000 0.267 324 P C 0.838 178.095 177.300 -0.073 0.000 1.289 324 P CA 0.286 63.375 63.100 -0.019 0.000 0.866 324 P CB 0.144 31.889 31.700 0.076 0.000 1.309 325 T N -2.766 111.556 114.554 -0.387 0.000 2.978 325 T HA 0.098 4.448 4.350 -0.000 0.000 0.262 325 T C 0.830 175.441 174.700 -0.149 0.000 1.063 325 T CA 0.349 62.058 62.100 -0.651 0.000 1.140 325 T CB -0.699 67.820 68.868 -0.582 0.000 0.886 325 T HN -0.046 nan 8.240 nan 0.000 0.470 326 L N 3.383 124.569 121.223 -0.060 0.000 2.350 326 L HA 0.372 4.711 4.340 -0.000 0.000 0.275 326 L C 1.601 178.554 176.870 0.138 0.000 1.099 326 L CA -0.881 53.975 54.840 0.027 0.000 0.808 326 L CB 0.929 42.975 42.059 -0.020 0.000 1.149 326 L HN 0.195 nan 8.230 nan 0.000 0.442 327 N N 0.178 118.986 118.700 0.181 0.000 2.300 327 N HA -0.157 4.583 4.740 -0.000 0.000 0.179 327 N C 1.410 177.029 175.510 0.181 0.000 1.016 327 N CA 1.422 54.613 53.050 0.235 0.000 0.876 327 N CB -0.884 37.718 38.487 0.191 0.000 0.979 327 N HN 0.751 nan 8.380 nan 0.000 0.432 328 T N -2.489 112.133 114.554 0.115 0.000 2.803 328 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 328 T C 1.756 176.513 174.700 0.096 0.000 1.052 328 T CA 1.952 64.109 62.100 0.095 0.000 1.136 328 T CB -1.068 67.825 68.868 0.042 0.000 0.864 328 T HN 0.213 nan 8.240 nan 0.000 0.467 329 T N 0.713 115.285 114.554 0.031 0.000 2.809 329 T HA 0.049 4.399 4.350 -0.000 0.000 0.260 329 T C 1.485 176.226 174.700 0.069 0.000 1.039 329 T CA 1.106 63.194 62.100 -0.020 0.000 1.141 329 T CB -0.468 68.268 68.868 -0.219 0.000 0.869 329 T HN 0.486 nan 8.240 nan 0.000 0.437 330 Y N 1.998 122.401 120.300 0.172 0.000 2.457 330 Y HA 0.002 4.552 4.550 -0.000 0.000 0.292 330 Y C 2.910 178.888 175.900 0.130 0.000 1.125 330 Y CA 0.581 58.753 58.100 0.121 0.000 1.254 330 Y CB -0.552 37.940 38.460 0.054 0.000 1.012 330 Y HN 0.266 nan 8.280 nan 0.000 0.555 331 S N -0.739 115.134 115.700 0.288 0.000 2.436 331 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 331 S C 1.873 176.640 174.600 0.279 0.000 1.014 331 S CA 0.651 58.996 58.200 0.241 0.000 0.950 331 S CB -1.071 62.254 63.200 0.209 0.000 0.784 331 S HN 0.458 nan 8.310 nan 0.000 0.504 332 F N 2.634 122.668 119.950 0.138 0.000 2.128 332 F HA 0.205 4.732 4.527 -0.000 0.000 0.295 332 F C 1.757 177.667 175.800 0.183 0.000 1.100 332 F CA 0.970 59.025 58.000 0.091 0.000 1.260 332 F CB -0.453 38.462 39.000 -0.141 0.000 1.009 332 F HN 0.108 nan 8.300 nan 0.000 0.476 333 L N -0.039 121.121 121.223 -0.105 0.000 2.201 333 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 333 L C 2.275 179.282 176.870 0.229 0.000 1.105 333 L CA 1.498 56.314 54.840 -0.040 0.000 0.775 333 L CB -0.966 41.249 42.059 0.260 0.000 0.913 333 L HN 0.211 nan 8.230 nan 0.000 0.440 334 T N -1.381 113.286 114.554 0.188 0.000 2.701 334 T HA -0.166 4.184 4.350 -0.000 0.000 0.263 334 T C 1.938 176.735 174.700 0.162 0.000 1.040 334 T CA 1.911 64.116 62.100 0.175 0.000 1.147 334 T CB -0.481 68.465 68.868 0.131 0.000 0.865 334 T HN 0.507 nan 8.240 nan 0.000 0.426 335 T N 0.273 114.931 114.554 0.173 0.000 2.929 335 T HA -0.035 4.315 4.350 -0.000 0.000 0.271 335 T C 1.664 176.466 174.700 0.170 0.000 1.085 335 T CA 0.621 62.818 62.100 0.162 0.000 1.125 335 T CB -0.618 68.377 68.868 0.211 0.000 0.874 335 T HN 0.318 nan 8.240 nan 0.000 0.494 336 F N 0.891 120.849 119.950 0.014 0.000 2.118 336 F HA 0.237 4.763 4.527 -0.000 0.000 0.293 336 F C 1.733 177.409 175.800 -0.207 0.000 1.102 336 F CA 0.285 58.212 58.000 -0.121 0.000 1.247 336 F CB -0.325 38.346 39.000 -0.548 0.000 1.017 336 F HN 0.069 nan 8.300 nan 0.000 0.475 337 F N 0.968 120.889 119.950 -0.049 0.000 2.269 337 F HA -0.130 4.397 4.527 -0.000 0.000 0.301 337 F C 2.436 178.136 175.800 -0.167 0.000 1.082 337 F CA 1.248 59.158 58.000 -0.150 0.000 1.360 337 F CB -0.555 38.425 39.000 -0.032 0.000 1.041 337 F HN -0.107 nan 8.300 nan 0.000 0.512 338 K N 1.041 121.471 120.400 0.050 0.000 2.057 338 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 338 K C 2.092 178.652 176.600 -0.066 0.000 1.049 338 K CA 1.663 57.951 56.287 0.002 0.000 0.931 338 K CB -0.379 32.127 32.500 0.010 0.000 0.714 338 K HN 0.414 nan 8.250 nan 0.000 0.440 339 E N 0.388 120.498 120.200 -0.150 0.000 2.051 339 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 339 E C 1.934 178.426 176.600 -0.179 0.000 0.991 339 E CA 1.084 57.375 56.400 -0.183 0.000 0.799 339 E CB 0.015 29.560 29.700 -0.259 0.000 0.748 339 E HN 0.165 nan 8.360 nan 0.000 0.449 340 I N 1.174 121.559 120.570 -0.309 0.000 2.286 340 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 340 I C 2.502 178.638 176.117 0.031 0.000 1.115 340 I CA 0.882 62.065 61.300 -0.196 0.000 1.392 340 I CB -1.460 36.239 38.000 -0.502 0.000 1.065 340 I HN 0.104 nan 8.210 nan 0.000 0.418 341 S N 0.739 116.440 115.700 0.002 0.000 2.353 341 S HA -0.210 4.260 4.470 -0.000 0.000 0.222 341 S C 1.903 176.510 174.600 0.011 0.000 1.035 341 S CA 1.635 59.849 58.200 0.024 0.000 1.025 341 S CB -0.132 63.074 63.200 0.009 0.000 0.902 341 S HN 0.527 nan 8.310 nan 0.000 0.440 342 E N 0.152 120.343 120.200 -0.015 0.000 2.072 342 E HA -0.085 4.264 4.350 -0.000 0.000 0.191 342 E C 2.114 178.688 176.600 -0.043 0.000 0.985 342 E CA 1.115 57.499 56.400 -0.027 0.000 0.801 342 E CB -0.163 29.516 29.700 -0.034 0.000 0.750 342 E HN 0.253 nan 8.360 nan 0.000 0.452 343 V N 0.658 120.549 119.914 -0.039 0.000 2.307 343 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 343 V C 0.712 176.666 176.094 -0.232 0.000 1.045 343 V CA 1.229 63.464 62.300 -0.109 0.000 1.024 343 V CB -0.256 31.530 31.823 -0.062 0.000 0.651 343 V HN 0.095 nan 8.190 nan 0.000 0.449 344 F N 1.504 121.400 119.950 -0.089 0.000 2.391 344 F HA 0.373 4.900 4.527 -0.000 0.000 0.359 344 F C -1.617 174.086 175.800 -0.161 0.000 1.122 344 F CA -2.082 55.855 58.000 -0.106 0.000 1.120 344 F CB 1.098 40.066 39.000 -0.053 0.000 1.142 344 F HN 0.069 nan 8.300 nan 0.000 0.483 345 P HA 0.039 nan 4.420 nan 0.000 0.256 345 P C -0.466 176.729 177.300 -0.176 0.000 1.384 345 P CA 0.179 63.109 63.100 -0.285 0.000 0.879 345 P CB 0.042 31.263 31.700 -0.798 0.000 1.403 346 D N -0.528 119.845 120.400 -0.045 0.000 2.294 346 D HA 0.134 4.774 4.640 -0.000 0.000 0.250 346 D C 1.377 177.663 176.300 -0.024 0.000 1.058 346 D CA -0.347 53.660 54.000 0.012 0.000 0.950 346 D CB 1.240 42.096 40.800 0.094 0.000 1.158 346 D HN -0.202 nan 8.370 nan 0.000 0.453 347 Q N 0.438 120.186 119.800 -0.088 0.000 2.083 347 Q HA 0.063 4.403 4.340 -0.000 0.000 0.198 347 Q C -0.068 175.691 176.000 -0.401 0.000 0.969 347 Q CA 0.991 56.591 55.803 -0.339 0.000 0.838 347 Q CB 0.085 28.402 28.738 -0.701 0.000 0.900 347 Q HN 0.451 nan 8.270 nan 0.000 0.436 348 F N -0.409 119.529 119.950 -0.019 0.000 2.450 348 F HA 0.501 5.028 4.527 -0.000 0.000 0.328 348 F C -0.089 175.673 175.800 -0.064 0.000 1.068 348 F CA -0.917 57.054 58.000 -0.047 0.000 1.007 348 F CB 1.114 40.083 39.000 -0.051 0.000 1.251 348 F HN -0.171 nan 8.300 nan 0.000 0.492 349 I N 0.697 121.340 120.570 0.121 0.000 2.571 349 I HA 0.149 4.319 4.170 -0.000 0.000 0.286 349 I C -1.095 175.049 176.117 0.045 0.000 1.134 349 I CA -0.450 60.885 61.300 0.059 0.000 1.052 349 I CB 1.949 40.000 38.000 0.084 0.000 1.237 349 I HN 0.617 nan 8.210 nan 0.000 0.435 350 H N 6.152 125.176 119.070 -0.077 0.000 2.620 350 H HA 0.316 4.871 4.556 -0.000 0.000 0.313 350 H C 0.188 175.525 175.328 0.014 0.000 1.075 350 H CA -0.637 55.329 56.048 -0.137 0.000 1.397 350 H CB 1.135 30.694 29.762 -0.339 0.000 1.446 350 H HN 0.439 nan 8.280 nan 0.000 0.493 351 L N 4.417 125.819 121.223 0.299 0.000 2.640 351 L HA 0.238 4.578 4.340 -0.000 0.000 0.230 351 L C 1.762 178.849 176.870 0.361 0.000 1.123 351 L CA 1.046 56.083 54.840 0.330 0.000 0.900 351 L CB -1.032 41.135 42.059 0.180 0.000 1.146 351 L HN 1.093 nan 8.230 nan 0.000 0.484 352 G N 0.866 109.921 108.800 0.425 0.000 2.609 352 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.288 352 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.288 352 G C 0.707 175.951 174.900 0.573 0.000 1.211 352 G CA 0.178 45.528 45.100 0.416 0.000 0.963 352 G HN 1.077 nan 8.290 nan 0.000 0.541 353 G N 0.350 109.437 108.800 0.477 0.000 2.546 353 G HA2 0.428 4.388 3.960 -0.000 0.000 0.285 353 G HA3 0.428 4.388 3.960 -0.000 0.000 0.285 353 G C -0.291 174.883 174.900 0.457 0.000 1.105 353 G CA 1.299 46.648 45.100 0.415 0.000 1.189 353 G HN 2.551 nan 8.290 nan 0.000 0.534 354 D N -0.922 119.668 120.400 0.317 0.000 2.648 354 D HA 0.386 5.026 4.640 -0.000 0.000 0.244 354 D C 0.330 176.679 176.300 0.081 0.000 1.244 354 D CA -0.415 53.693 54.000 0.180 0.000 0.772 354 D CB 0.096 40.804 40.800 -0.153 0.000 1.379 354 D HN 0.382 nan 8.370 nan 0.000 0.428 355 E N -0.593 119.627 120.200 0.033 0.000 2.403 355 E HA -0.155 4.195 4.350 -0.000 0.000 0.241 355 E C -0.354 176.096 176.600 -0.251 0.000 1.201 355 E CA 0.456 56.805 56.400 -0.085 0.000 0.721 355 E CB -1.173 28.489 29.700 -0.064 0.000 1.245 355 E HN 0.336 nan 8.360 nan 0.000 0.392 356 V N 1.266 120.998 119.914 -0.305 0.000 2.427 356 V HA 0.047 4.167 4.120 -0.000 0.000 0.268 356 V C 0.787 176.363 176.094 -0.864 0.000 1.046 356 V CA 0.272 62.253 62.300 -0.531 0.000 0.970 356 V CB 1.035 32.591 31.823 -0.446 0.000 1.001 356 V HN 0.147 nan 8.190 nan 0.000 0.476 357 E N 4.333 124.072 120.200 -0.768 0.000 2.001 357 E HA 0.243 4.593 4.350 -0.000 0.000 0.279 357 E C -0.120 176.022 176.600 -0.764 0.000 1.045 357 E CA -0.281 55.705 56.400 -0.690 0.000 0.833 357 E CB 0.487 29.914 29.700 -0.455 0.000 1.077 357 E HN 0.643 nan 8.360 nan 0.000 0.397 358 F N 2.125 121.821 119.950 -0.424 0.000 2.583 358 F HA -0.114 4.413 4.527 -0.000 0.000 0.297 358 F C 2.248 177.789 175.800 -0.431 0.000 1.131 358 F CA 0.520 58.243 58.000 -0.461 0.000 1.467 358 F CB -0.484 38.378 39.000 -0.229 0.000 1.097 358 F HN 0.353 nan 8.300 nan 0.000 0.586 359 K N 0.379 120.653 120.400 -0.210 0.000 2.089 359 K HA -0.245 4.075 4.320 -0.000 0.000 0.210 359 K C 2.163 178.658 176.600 -0.175 0.000 1.048 359 K CA 2.167 58.357 56.287 -0.162 0.000 0.926 359 K CB -1.116 31.286 32.500 -0.164 0.000 0.714 359 K HN 0.342 nan 8.250 nan 0.000 0.448 360 c N -0.471 117.971 118.600 -0.263 0.000 2.492 360 c HA 0.090 4.660 4.570 -0.000 0.000 0.279 360 c C 2.125 176.164 174.090 -0.086 0.000 1.335 360 c CA -0.206 55.999 56.329 -0.206 0.000 1.734 360 c CB -1.269 41.079 42.510 -0.269 0.000 2.027 360 c HN 0.692 nan 8.230 nan 0.000 0.496 361 W N 1.251 122.423 121.300 -0.214 0.000 2.332 361 W HA -0.088 4.572 4.660 -0.000 0.000 0.321 361 W C 2.467 178.865 176.519 -0.202 0.000 1.219 361 W CA 1.459 58.674 57.345 -0.216 0.000 1.277 361 W CB -1.615 27.675 29.460 -0.283 0.000 1.161 361 W HN 0.466 nan 8.180 nan 0.000 0.476 362 E N 0.484 120.574 120.200 -0.183 0.000 2.136 362 E HA -0.240 4.110 4.350 -0.000 0.000 0.202 362 E C 1.624 178.309 176.600 0.142 0.000 1.019 362 E CA 2.335 58.744 56.400 0.016 0.000 0.819 362 E CB -0.319 29.362 29.700 -0.032 0.000 0.739 362 E HN 0.168 nan 8.360 nan 0.000 0.458 363 S N -0.141 115.604 115.700 0.075 0.000 2.743 363 S HA 0.097 4.567 4.470 -0.000 0.000 0.230 363 S C 0.166 174.848 174.600 0.136 0.000 0.950 363 S CA -0.452 57.804 58.200 0.094 0.000 0.976 363 S CB -0.274 62.956 63.200 0.049 0.000 0.779 363 S HN 0.172 nan 8.310 nan 0.000 0.487 364 N N 1.943 120.735 118.700 0.154 0.000 2.443 364 N HA 0.268 5.008 4.740 -0.000 0.000 0.269 364 N C -2.169 173.457 175.510 0.193 0.000 0.985 364 N CA -2.060 51.099 53.050 0.181 0.000 0.921 364 N CB 2.077 40.630 38.487 0.110 0.000 1.195 364 N HN -0.012 nan 8.380 nan 0.000 0.492 365 P HA -0.147 nan 4.420 nan 0.000 0.217 365 P C 0.800 178.182 177.300 0.136 0.000 1.150 365 P CA 1.216 64.404 63.100 0.146 0.000 0.832 365 P CB 0.416 32.185 31.700 0.115 0.000 0.787 366 K N -0.025 120.461 120.400 0.143 0.000 2.057 366 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 366 K C 2.335 179.015 176.600 0.133 0.000 1.050 366 K CA 0.961 57.321 56.287 0.123 0.000 0.935 366 K CB -0.976 31.591 32.500 0.112 0.000 0.715 366 K HN 0.292 nan 8.250 nan 0.000 0.439 367 I N 1.442 122.092 120.570 0.132 0.000 2.493 367 I HA -0.242 3.928 4.170 -0.000 0.000 0.254 367 I C 2.340 178.599 176.117 0.236 0.000 1.160 367 I CA 1.075 62.461 61.300 0.143 0.000 1.445 367 I CB -0.210 37.846 38.000 0.093 0.000 1.086 367 I HN 0.199 nan 8.210 nan 0.000 0.433 368 Q N 0.415 120.341 119.800 0.210 0.000 2.230 368 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 368 Q C 1.582 177.650 176.000 0.114 0.000 0.963 368 Q CA 1.162 57.071 55.803 0.177 0.000 0.866 368 Q CB 0.049 28.882 28.738 0.160 0.000 0.931 368 Q HN 0.474 nan 8.270 nan 0.000 0.452 369 D N 0.230 120.700 120.400 0.118 0.000 2.117 369 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 369 D C 1.414 177.759 176.300 0.075 0.000 0.982 369 D CA 0.775 54.821 54.000 0.077 0.000 0.828 369 D CB -0.340 40.510 40.800 0.083 0.000 0.967 369 D HN 0.137 nan 8.370 nan 0.000 0.464 370 F N 1.402 121.340 119.950 -0.018 0.000 2.120 370 F HA -0.234 4.293 4.527 -0.000 0.000 0.300 370 F C 2.199 177.942 175.800 -0.094 0.000 1.095 370 F CA 1.312 59.281 58.000 -0.052 0.000 1.249 370 F CB -0.113 38.871 39.000 -0.026 0.000 0.995 370 F HN -0.173 nan 8.300 nan 0.000 0.480 371 M N 0.079 119.710 119.600 0.051 0.000 2.159 371 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 371 M C 2.142 178.302 176.300 -0.234 0.000 1.063 371 M CA 1.582 56.851 55.300 -0.051 0.000 1.110 371 M CB -1.269 31.340 32.600 0.015 0.000 1.374 371 M HN 0.204 nan 8.290 nan 0.000 0.411 372 R N -0.058 120.334 120.500 -0.179 0.000 2.057 372 R HA -0.121 4.219 4.340 -0.000 0.000 0.229 372 R C 2.132 178.258 176.300 -0.290 0.000 1.136 372 R CA 1.056 57.038 56.100 -0.197 0.000 0.952 372 R CB -0.523 29.708 30.300 -0.115 0.000 0.848 372 R HN 0.261 nan 8.270 nan 0.000 0.430 373 Q N 0.592 120.214 119.800 -0.297 0.000 2.376 373 Q HA -0.099 4.241 4.340 -0.000 0.000 0.211 373 Q C 1.229 176.922 176.000 -0.511 0.000 0.986 373 Q CA 1.399 56.999 55.803 -0.338 0.000 0.886 373 Q CB 0.208 28.777 28.738 -0.281 0.000 0.927 373 Q HN 0.131 nan 8.270 nan 0.000 0.457 374 K N -2.157 117.798 120.400 -0.742 0.000 2.391 374 K HA 0.243 4.563 4.320 -0.000 0.000 0.197 374 K C 0.408 176.318 176.600 -1.149 0.000 1.087 374 K CA 0.661 56.307 56.287 -1.069 0.000 1.012 374 K CB 0.984 32.536 32.500 -1.580 0.000 0.925 374 K HN 0.156 nan 8.250 nan 0.000 0.547 375 G N 2.417 110.748 108.800 -0.782 0.000 2.353 375 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.294 375 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.294 375 G C 0.015 174.633 174.900 -0.470 0.000 1.077 375 G CA -0.063 44.731 45.100 -0.510 0.000 1.098 375 G HN 0.198 nan 8.290 nan 0.000 0.511 376 F N 0.148 119.985 119.950 -0.188 0.000 2.682 376 F HA 0.432 4.959 4.527 -0.000 0.000 0.308 376 F C 2.059 177.734 175.800 -0.207 0.000 1.093 376 F CA 0.207 58.095 58.000 -0.186 0.000 1.244 376 F CB 0.052 38.931 39.000 -0.202 0.000 1.052 376 F HN 0.953 nan 8.300 nan 0.000 0.573 377 G N 1.430 110.194 108.800 -0.060 0.000 2.595 377 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.297 377 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.297 377 G C 0.942 175.738 174.900 -0.173 0.000 1.181 377 G CA 1.033 46.073 45.100 -0.099 0.000 0.963 377 G HN 0.481 nan 8.290 nan 0.000 0.541 378 T N -2.245 112.169 114.554 -0.232 0.000 3.209 378 T HA 0.443 4.793 4.350 -0.000 0.000 0.295 378 T C -0.060 174.296 174.700 -0.574 0.000 0.977 378 T CA 0.962 62.803 62.100 -0.432 0.000 0.922 378 T CB 0.791 69.562 68.868 -0.163 0.000 1.152 378 T HN 0.608 nan 8.240 nan 0.000 0.527 379 D N 1.068 121.240 120.400 -0.381 0.000 2.338 379 D HA 0.272 4.912 4.640 -0.000 0.000 0.255 379 D C -0.027 176.015 176.300 -0.430 0.000 1.237 379 D CA -0.798 53.025 54.000 -0.295 0.000 0.883 379 D CB 0.068 40.777 40.800 -0.152 0.000 1.087 379 D HN 0.213 nan 8.370 nan 0.000 0.485 380 F N 2.152 121.936 119.950 -0.278 0.000 2.776 380 F HA 0.179 4.705 4.527 -0.000 0.000 0.300 380 F C 1.991 177.495 175.800 -0.494 0.000 1.116 380 F CA 0.059 57.828 58.000 -0.384 0.000 1.375 380 F CB 0.113 38.824 39.000 -0.482 0.000 1.109 380 F HN 0.306 nan 8.300 nan 0.000 0.585 381 K N 0.240 120.463 120.400 -0.296 0.000 2.515 381 K HA -0.090 4.230 4.320 -0.000 0.000 0.196 381 K C 1.575 178.124 176.600 -0.084 0.000 1.038 381 K CA 0.777 56.997 56.287 -0.112 0.000 0.967 381 K CB 0.012 32.477 32.500 -0.058 0.000 0.780 381 K HN 0.276 nan 8.250 nan 0.000 0.483 382 K N 0.094 120.361 120.400 -0.223 0.000 2.168 382 K HA 0.017 4.337 4.320 -0.000 0.000 0.201 382 K C 1.738 178.041 176.600 -0.496 0.000 1.049 382 K CA 0.213 56.226 56.287 -0.457 0.000 0.974 382 K CB 0.070 32.089 32.500 -0.802 0.000 0.792 382 K HN -0.039 nan 8.250 nan 0.000 0.463 383 L N 1.735 122.771 121.223 -0.311 0.000 2.275 383 L HA -0.091 4.249 4.340 -0.000 0.000 0.215 383 L C 2.016 178.966 176.870 0.133 0.000 1.119 383 L CA 1.646 56.461 54.840 -0.041 0.000 0.790 383 L CB -0.056 42.034 42.059 0.051 0.000 0.919 383 L HN 0.141 nan 8.230 nan 0.000 0.443 384 E N -1.330 119.009 120.200 0.233 0.000 2.190 384 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 384 E C 2.126 178.910 176.600 0.305 0.000 0.978 384 E CA 0.724 57.374 56.400 0.415 0.000 0.839 384 E CB 0.365 30.429 29.700 0.607 0.000 0.787 384 E HN 0.467 nan 8.360 nan 0.000 0.473 385 S N 0.379 116.177 115.700 0.163 0.000 2.368 385 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 385 S C 1.567 176.250 174.600 0.137 0.000 1.030 385 S CA 0.994 59.260 58.200 0.110 0.000 0.999 385 S CB -0.334 62.875 63.200 0.015 0.000 0.844 385 S HN 0.374 nan 8.310 nan 0.000 0.459 386 F N 0.692 120.650 119.950 0.013 0.000 2.325 386 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 386 F C 1.852 177.744 175.800 0.153 0.000 1.090 386 F CA 0.820 58.864 58.000 0.073 0.000 1.392 386 F CB -0.374 38.695 39.000 0.116 0.000 1.053 386 F HN 0.284 nan 8.300 nan 0.000 0.521 387 Y N 0.263 120.576 120.300 0.022 0.000 2.130 387 Y HA -0.118 4.432 4.550 -0.000 0.000 0.287 387 Y C 2.288 178.195 175.900 0.011 0.000 1.124 387 Y CA 1.956 60.085 58.100 0.048 0.000 1.118 387 Y CB -0.795 37.789 38.460 0.208 0.000 0.994 387 Y HN 0.075 nan 8.280 nan 0.000 0.497 388 I N 0.828 121.482 120.570 0.140 0.000 2.335 388 I HA -0.325 3.845 4.170 -0.000 0.000 0.251 388 I C 2.184 178.230 176.117 -0.118 0.000 1.129 388 I CA 1.701 63.020 61.300 0.031 0.000 1.402 388 I CB -0.418 37.691 38.000 0.180 0.000 1.069 388 I HN 0.409 nan 8.210 nan 0.000 0.424 389 Q N -0.248 119.477 119.800 -0.125 0.000 2.123 389 Q HA -0.181 4.159 4.340 -0.000 0.000 0.199 389 Q C 2.187 178.026 176.000 -0.267 0.000 0.966 389 Q CA 1.025 56.737 55.803 -0.151 0.000 0.845 389 Q CB -0.110 28.575 28.738 -0.089 0.000 0.907 389 Q HN 0.262 nan 8.270 nan 0.000 0.439 390 K N 0.143 120.273 120.400 -0.449 0.000 2.063 390 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 390 K C 1.979 178.337 176.600 -0.403 0.000 1.048 390 K CA 1.104 57.043 56.287 -0.580 0.000 0.928 390 K CB -0.308 31.547 32.500 -1.076 0.000 0.713 390 K HN 0.109 nan 8.250 nan 0.000 0.442 391 V N 1.526 121.207 119.914 -0.389 0.000 2.255 391 V HA -0.206 3.914 4.120 -0.000 0.000 0.243 391 V C 2.444 178.353 176.094 -0.309 0.000 1.038 391 V CA 1.354 63.446 62.300 -0.346 0.000 1.008 391 V CB -0.521 31.081 31.823 -0.367 0.000 0.645 391 V HN 0.193 nan 8.190 nan 0.000 0.449 392 L N 0.186 121.266 121.223 -0.238 0.000 2.270 392 L HA -0.236 4.104 4.340 -0.000 0.000 0.217 392 L C 2.209 178.982 176.870 -0.162 0.000 1.107 392 L CA 1.330 56.061 54.840 -0.182 0.000 0.772 392 L CB -0.679 41.308 42.059 -0.120 0.000 0.902 392 L HN 0.387 nan 8.230 nan 0.000 0.439 393 D N 0.226 120.521 120.400 -0.176 0.000 2.085 393 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 393 D C 2.201 178.413 176.300 -0.146 0.000 0.981 393 D CA 1.058 54.972 54.000 -0.144 0.000 0.834 393 D CB -0.071 40.638 40.800 -0.152 0.000 0.992 393 D HN 0.130 nan 8.370 nan 0.000 0.457 394 I N 1.405 121.870 120.570 -0.176 0.000 2.229 394 I HA -0.302 3.868 4.170 -0.000 0.000 0.250 394 I C 2.138 178.148 176.117 -0.178 0.000 1.096 394 I CA 0.824 62.029 61.300 -0.157 0.000 1.358 394 I CB -0.153 37.750 38.000 -0.162 0.000 1.047 394 I HN 0.126 nan 8.210 nan 0.000 0.422 395 I N 0.246 120.668 120.570 -0.246 0.000 2.286 395 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 395 I C 2.715 178.755 176.117 -0.129 0.000 1.104 395 I CA 1.651 62.822 61.300 -0.214 0.000 1.397 395 I CB -1.919 35.938 38.000 -0.239 0.000 1.072 395 I HN 0.199 nan 8.210 nan 0.000 0.417 396 A N 0.709 123.463 122.820 -0.111 0.000 1.969 396 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 396 A C 2.386 179.932 177.584 -0.063 0.000 1.169 396 A CA 2.019 54.010 52.037 -0.076 0.000 0.635 396 A CB -1.067 17.898 19.000 -0.059 0.000 0.810 396 A HN 0.412 nan 8.150 nan 0.000 0.445 397 T N 0.697 115.212 114.554 -0.065 0.000 2.881 397 T HA -0.066 4.284 4.350 -0.000 0.000 0.270 397 T C 1.349 176.026 174.700 -0.038 0.000 1.068 397 T CA 1.429 63.501 62.100 -0.046 0.000 1.131 397 T CB -0.485 68.356 68.868 -0.045 0.000 0.871 397 T HN 0.729 nan 8.240 nan 0.000 0.479 398 I N -1.741 118.801 120.570 -0.047 0.000 3.856 398 I HA 0.370 4.539 4.170 -0.000 0.000 0.333 398 I C -0.401 175.689 176.117 -0.045 0.000 1.525 398 I CA -0.566 60.713 61.300 -0.035 0.000 1.173 398 I CB -0.345 37.642 38.000 -0.022 0.000 1.175 398 I HN -0.096 nan 8.210 nan 0.000 0.424 399 N N 3.214 121.883 118.700 -0.052 0.000 2.705 399 N HA -0.156 4.584 4.740 -0.000 0.000 0.255 399 N C -0.722 174.733 175.510 -0.092 0.000 1.008 399 N CA 1.097 54.109 53.050 -0.063 0.000 0.742 399 N CB -0.386 38.073 38.487 -0.048 0.000 0.906 399 N HN 0.630 nan 8.380 nan 0.000 0.541 400 K N -0.302 120.033 120.400 -0.108 0.000 2.426 400 K HA 0.537 4.857 4.320 -0.000 0.000 0.251 400 K C 0.675 177.174 176.600 -0.168 0.000 0.941 400 K CA -0.564 55.632 56.287 -0.151 0.000 0.808 400 K CB 1.997 34.436 32.500 -0.102 0.000 1.265 400 K HN 0.159 nan 8.250 nan 0.000 0.432 401 G N 0.291 108.922 108.800 -0.281 0.000 2.562 401 G HA2 0.330 4.290 3.960 -0.000 0.000 0.275 401 G HA3 0.330 4.290 3.960 -0.000 0.000 0.275 401 G C -0.728 174.219 174.900 0.078 0.000 1.196 401 G CA -0.210 44.807 45.100 -0.138 0.000 0.908 401 G HN 0.329 nan 8.290 nan 0.000 0.524 402 S N -0.104 115.692 115.700 0.160 0.000 2.647 402 S HA 0.458 4.928 4.470 -0.000 0.000 0.300 402 S C -0.232 174.319 174.600 -0.082 0.000 1.129 402 S CA -0.493 57.715 58.200 0.013 0.000 1.029 402 S CB 0.912 64.070 63.200 -0.071 0.000 1.007 402 S HN 0.414 nan 8.310 nan 0.000 0.484 403 I N 2.925 123.350 120.570 -0.241 0.000 2.488 403 I HA 0.633 4.803 4.170 -0.000 0.000 0.299 403 I C -0.095 175.481 176.117 -0.902 0.000 0.984 403 I CA -0.702 60.255 61.300 -0.572 0.000 1.250 403 I CB 1.487 39.081 38.000 -0.676 0.000 1.389 403 I HN 0.315 nan 8.210 nan 0.000 0.488 404 V N 5.015 124.422 119.914 -0.844 0.000 3.087 404 V HA 0.423 4.542 4.120 -0.000 0.000 0.306 404 V C -1.445 174.558 176.094 -0.151 0.000 1.187 404 V CA -0.574 61.438 62.300 -0.479 0.000 0.999 404 V CB 2.606 34.324 31.823 -0.174 0.000 1.049 404 V HN 0.748 nan 8.190 nan 0.000 0.431 405 W N 3.079 124.574 121.300 0.325 0.000 2.237 405 W HA 0.312 4.972 4.660 -0.000 0.000 0.335 405 W C 1.594 178.327 176.519 0.356 0.000 1.230 405 W CA 0.197 57.784 57.345 0.403 0.000 1.253 405 W CB 0.986 30.671 29.460 0.375 0.000 1.129 405 W HN 0.789 nan 8.180 nan 0.000 0.590 406 Q N 0.017 120.257 119.800 0.733 0.000 2.308 406 Q HA -0.268 4.071 4.340 -0.000 0.000 0.209 406 Q C 1.226 177.459 176.000 0.387 0.000 0.985 406 Q CA 1.957 58.020 55.803 0.434 0.000 0.881 406 Q CB -0.164 28.726 28.738 0.252 0.000 0.917 406 Q HN 0.574 nan 8.270 nan 0.000 0.443 407 E N 0.880 121.354 120.200 0.456 0.000 2.049 407 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 407 E C 2.025 178.792 176.600 0.278 0.000 1.007 407 E CA 1.907 58.505 56.400 0.331 0.000 0.809 407 E CB -0.261 29.652 29.700 0.355 0.000 0.749 407 E HN 0.253 nan 8.360 nan 0.000 0.450 408 V N 0.608 120.706 119.914 0.308 0.000 2.252 408 V HA -0.278 3.841 4.120 -0.000 0.000 0.249 408 V C 2.025 178.239 176.094 0.200 0.000 1.056 408 V CA 2.063 64.510 62.300 0.245 0.000 1.022 408 V CB -0.592 31.366 31.823 0.225 0.000 0.641 408 V HN 0.294 nan 8.190 nan 0.000 0.445 409 F N 1.851 121.839 119.950 0.063 0.000 2.134 409 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 409 F C 1.886 177.723 175.800 0.062 0.000 1.097 409 F CA 1.952 59.964 58.000 0.020 0.000 1.264 409 F CB -0.455 38.533 39.000 -0.018 0.000 1.001 409 F HN 0.240 nan 8.300 nan 0.000 0.479 410 D N 0.121 120.495 120.400 -0.043 0.000 2.371 410 D HA -0.050 4.590 4.640 -0.000 0.000 0.234 410 D C 0.706 176.976 176.300 -0.050 0.000 1.049 410 D CA 0.617 54.542 54.000 -0.124 0.000 0.907 410 D CB -0.383 40.433 40.800 0.025 0.000 0.891 410 D HN 0.411 nan 8.370 nan 0.000 0.531 411 D N 0.233 120.629 120.400 -0.006 0.000 2.431 411 D HA 0.006 4.646 4.640 -0.000 0.000 0.213 411 D C 0.007 176.300 176.300 -0.012 0.000 1.130 411 D CA -0.111 53.915 54.000 0.043 0.000 0.834 411 D CB 0.444 41.337 40.800 0.155 0.000 0.985 411 D HN -0.128 nan 8.370 nan 0.000 0.504 412 K N 0.104 120.443 120.400 -0.101 0.000 3.372 412 K HA -0.132 4.188 4.320 -0.000 0.000 0.272 412 K C -0.253 176.342 176.600 -0.009 0.000 1.037 412 K CA 0.401 56.629 56.287 -0.098 0.000 0.777 412 K CB -2.355 30.098 32.500 -0.077 0.000 1.347 412 K HN 0.268 nan 8.250 nan 0.000 0.460 413 A N 0.838 123.675 122.820 0.029 0.000 2.311 413 A HA 0.632 4.952 4.320 -0.000 0.000 0.334 413 A C -0.064 177.577 177.584 0.096 0.000 1.139 413 A CA -0.694 51.382 52.037 0.064 0.000 0.830 413 A CB 1.101 20.145 19.000 0.074 0.000 1.234 413 A HN 0.182 nan 8.150 nan 0.000 0.483 414 K N 1.177 121.632 120.400 0.092 0.000 2.310 414 K HA 0.486 4.806 4.320 -0.000 0.000 0.290 414 K C -1.229 175.435 176.600 0.107 0.000 1.077 414 K CA 0.345 56.706 56.287 0.123 0.000 0.922 414 K CB -0.512 32.047 32.500 0.098 0.000 1.057 414 K HN 0.521 nan 8.250 nan 0.000 0.479 415 L N 3.547 124.869 121.223 0.165 0.000 2.295 415 L HA 0.536 4.876 4.340 -0.000 0.000 0.285 415 L C 0.351 177.385 176.870 0.273 0.000 1.035 415 L CA -1.209 53.677 54.840 0.077 0.000 0.806 415 L CB 1.716 43.552 42.059 -0.372 0.000 1.214 415 L HN 0.642 nan 8.230 nan 0.000 0.426 416 A N 4.874 127.788 122.820 0.158 0.000 2.555 416 A HA 0.250 4.570 4.320 -0.000 0.000 0.233 416 A C -2.089 175.653 177.584 0.264 0.000 1.060 416 A CA -0.774 51.359 52.037 0.160 0.000 0.759 416 A CB -0.657 18.388 19.000 0.074 0.000 0.995 416 A HN 0.515 nan 8.150 nan 0.000 0.506 417 P HA 0.179 nan 4.420 nan 0.000 0.258 417 P C 0.740 178.119 177.300 0.130 0.000 1.214 417 P CA 1.481 64.647 63.100 0.110 0.000 0.872 417 P CB 0.046 31.769 31.700 0.039 0.000 0.890 418 G N 2.149 111.070 108.800 0.202 0.000 2.260 418 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.179 418 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.179 418 G C 0.189 175.217 174.900 0.214 0.000 1.002 418 G CA -0.480 44.734 45.100 0.189 0.000 0.677 418 G HN 0.474 nan 8.290 nan 0.000 0.486 419 T N 3.756 118.448 114.554 0.230 0.000 2.784 419 T HA 0.419 4.769 4.350 -0.000 0.000 0.291 419 T C 1.007 175.688 174.700 -0.032 0.000 0.942 419 T CA 0.188 62.321 62.100 0.054 0.000 1.161 419 T CB 0.473 69.294 68.868 -0.078 0.000 0.885 419 T HN 0.261 nan 8.240 nan 0.000 0.534 420 I N 4.271 124.779 120.570 -0.103 0.000 2.529 420 I HA 0.210 4.380 4.170 -0.000 0.000 0.284 420 I C 0.398 176.353 176.117 -0.269 0.000 1.082 420 I CA -0.481 60.701 61.300 -0.197 0.000 1.406 420 I CB 0.439 38.243 38.000 -0.327 0.000 1.405 420 I HN 0.252 nan 8.210 nan 0.000 0.548 421 V N 5.579 125.345 119.914 -0.248 0.000 2.435 421 V HA 0.344 4.464 4.120 -0.000 0.000 0.290 421 V C 0.167 176.168 176.094 -0.155 0.000 1.030 421 V CA -0.784 61.389 62.300 -0.213 0.000 0.881 421 V CB 1.787 33.457 31.823 -0.255 0.000 0.983 421 V HN 0.745 nan 8.190 nan 0.000 0.445 422 E N 2.975 123.155 120.200 -0.035 0.000 2.166 422 E HA 0.580 4.930 4.350 -0.000 0.000 0.275 422 E C -1.344 175.463 176.600 0.344 0.000 0.941 422 E CA -0.498 55.964 56.400 0.103 0.000 0.784 422 E CB 2.006 31.788 29.700 0.137 0.000 1.115 422 E HN 0.507 nan 8.360 nan 0.000 0.399 423 V N 6.257 126.307 119.914 0.227 0.000 2.539 423 V HA 0.253 4.372 4.120 -0.000 0.000 0.292 423 V C 0.312 176.610 176.094 0.341 0.000 1.045 423 V CA -0.225 62.201 62.300 0.209 0.000 0.945 423 V CB 1.110 32.944 31.823 0.018 0.000 0.993 423 V HN 0.904 nan 8.190 nan 0.000 0.464 424 W N 2.776 124.135 121.300 0.097 0.000 1.857 424 W HA 0.396 5.056 4.660 -0.000 0.000 0.244 424 W C -0.171 176.258 176.519 -0.150 0.000 0.859 424 W CA -0.595 56.783 57.345 0.054 0.000 1.112 424 W CB 0.229 29.776 29.460 0.145 0.000 0.967 424 W HN 0.351 nan 8.180 nan 0.000 0.524 425 K N 1.993 122.038 120.400 -0.592 0.000 2.123 425 K HA 0.153 4.473 4.320 -0.000 0.000 0.259 425 K C 0.598 177.072 176.600 -0.210 0.000 0.960 425 K CA -0.522 55.414 56.287 -0.583 0.000 0.872 425 K CB 1.946 33.985 32.500 -0.768 0.000 1.079 425 K HN -0.301 nan 8.250 nan 0.000 0.440 426 D N 0.489 120.805 120.400 -0.139 0.000 2.137 426 D HA -0.095 4.544 4.640 -0.000 0.000 0.202 426 D C 0.164 176.484 176.300 0.033 0.000 0.970 426 D CA 0.938 54.971 54.000 0.055 0.000 0.837 426 D CB -0.036 40.761 40.800 -0.006 0.000 0.981 426 D HN 0.509 nan 8.370 nan 0.000 0.475 427 S N 0.995 116.656 115.700 -0.066 0.000 2.711 427 S HA 0.286 4.755 4.470 -0.000 0.000 0.335 427 S C 0.687 175.247 174.600 -0.066 0.000 1.175 427 S CA 0.053 58.209 58.200 -0.074 0.000 1.372 427 S CB -0.264 62.878 63.200 -0.097 0.000 1.337 427 S HN 0.388 nan 8.310 nan 0.000 0.572 428 A N 2.011 124.784 122.820 -0.079 0.000 2.251 428 A HA -0.206 4.114 4.320 -0.000 0.000 0.283 428 A C 0.515 178.058 177.584 -0.067 0.000 1.415 428 A CA 0.944 52.919 52.037 -0.103 0.000 0.742 428 A CB -2.589 16.372 19.000 -0.065 0.000 1.151 428 A HN 1.683 nan 8.150 nan 0.000 0.354 429 Y N -0.273 119.970 120.300 -0.096 0.000 2.337 429 Y HA 0.232 4.782 4.550 -0.000 0.000 0.293 429 Y C -0.657 175.176 175.900 -0.111 0.000 1.123 429 Y CA 0.470 58.503 58.100 -0.112 0.000 1.201 429 Y CB -1.408 36.974 38.460 -0.130 0.000 1.011 429 Y HN 0.400 nan 8.280 nan 0.000 0.545 430 P HA -0.099 nan 4.420 nan 0.000 0.225 430 P C 1.406 178.663 177.300 -0.072 0.000 1.148 430 P CA 1.534 64.504 63.100 -0.216 0.000 0.779 430 P CB 0.102 31.671 31.700 -0.218 0.000 0.780 431 E N -0.374 119.797 120.200 -0.048 0.000 2.230 431 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 431 E C 1.743 178.367 176.600 0.041 0.000 0.987 431 E CA 0.617 57.031 56.400 0.023 0.000 0.841 431 E CB -0.040 29.669 29.700 0.015 0.000 0.783 431 E HN 0.202 nan 8.360 nan 0.000 0.481 432 E N 0.721 120.935 120.200 0.022 0.000 2.072 432 E HA -0.113 4.236 4.350 -0.000 0.000 0.191 432 E C 2.323 178.912 176.600 -0.019 0.000 0.985 432 E CA 0.457 56.889 56.400 0.054 0.000 0.801 432 E CB -0.155 29.579 29.700 0.056 0.000 0.750 432 E HN 0.304 nan 8.360 nan 0.000 0.452 433 L N 0.698 121.829 121.223 -0.154 0.000 2.083 433 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 433 L C 2.481 179.202 176.870 -0.248 0.000 1.083 433 L CA 0.929 55.516 54.840 -0.423 0.000 0.752 433 L CB -0.322 41.090 42.059 -1.077 0.000 0.899 433 L HN 0.011 nan 8.230 nan 0.000 0.433 434 S N -0.479 115.222 115.700 0.002 0.000 2.345 434 S HA -0.126 4.343 4.470 -0.000 0.000 0.220 434 S C 2.048 176.758 174.600 0.182 0.000 1.031 434 S CA 0.947 59.304 58.200 0.263 0.000 0.996 434 S CB -0.202 63.158 63.200 0.266 0.000 0.882 434 S HN 0.330 nan 8.310 nan 0.000 0.445 435 R N 0.508 121.104 120.500 0.160 0.000 2.096 435 R HA -0.090 4.250 4.340 -0.000 0.000 0.240 435 R C 2.263 178.678 176.300 0.191 0.000 1.139 435 R CA 1.512 57.758 56.100 0.244 0.000 0.952 435 R CB -0.712 29.809 30.300 0.369 0.000 0.854 435 R HN 0.243 nan 8.270 nan 0.000 0.436 436 V N 0.564 120.456 119.914 -0.037 0.000 2.307 436 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 436 V C 2.595 178.663 176.094 -0.043 0.000 1.045 436 V CA 2.310 64.422 62.300 -0.313 0.000 1.024 436 V CB -0.767 30.830 31.823 -0.377 0.000 0.651 436 V HN 0.604 nan 8.190 nan 0.000 0.449 437 T N -0.972 113.613 114.554 0.052 0.000 2.821 437 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 437 T C 1.934 176.693 174.700 0.097 0.000 1.046 437 T CA 1.442 63.611 62.100 0.115 0.000 1.139 437 T CB -0.489 68.525 68.868 0.243 0.000 0.871 437 T HN 0.447 nan 8.240 nan 0.000 0.454 438 A N 1.768 124.662 122.820 0.123 0.000 1.908 438 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 438 A C 2.649 180.284 177.584 0.084 0.000 1.181 438 A CA 1.992 54.095 52.037 0.109 0.000 0.627 438 A CB -1.168 17.914 19.000 0.138 0.000 0.818 438 A HN 0.540 nan 8.150 nan 0.000 0.445 439 S N -1.563 114.208 115.700 0.118 0.000 2.547 439 S HA 0.277 4.747 4.470 -0.000 0.000 0.235 439 S C 1.372 175.874 174.600 -0.162 0.000 0.980 439 S CA 1.014 59.278 58.200 0.106 0.000 0.941 439 S CB -0.288 63.140 63.200 0.380 0.000 0.763 439 S HN 1.728 nan 8.310 nan 0.000 0.532 440 G N 0.731 109.448 108.800 -0.139 0.000 2.149 440 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.235 440 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.235 440 G C -0.184 174.492 174.900 -0.373 0.000 1.018 440 G CA -0.336 44.623 45.100 -0.235 0.000 0.728 440 G HN 0.397 nan 8.290 nan 0.000 0.508 441 F N 0.409 120.323 119.950 -0.060 0.000 2.450 441 F HA 0.586 5.113 4.527 -0.000 0.000 0.332 441 F C -1.570 174.175 175.800 -0.093 0.000 1.093 441 F CA -2.658 55.286 58.000 -0.093 0.000 1.003 441 F CB 1.692 40.586 39.000 -0.177 0.000 1.151 441 F HN -0.151 nan 8.300 nan 0.000 0.474 442 P HA 0.175 nan 4.420 nan 0.000 0.271 442 P C -1.114 176.138 177.300 -0.080 0.000 1.233 442 P CA -0.203 62.908 63.100 0.019 0.000 0.789 442 P CB 1.034 32.733 31.700 -0.001 0.000 0.951 443 V N 2.474 122.283 119.914 -0.176 0.000 2.760 443 V HA 0.502 4.622 4.120 -0.000 0.000 0.309 443 V C -0.920 174.857 176.094 -0.528 0.000 1.077 443 V CA -0.793 61.312 62.300 -0.325 0.000 0.910 443 V CB 1.456 33.088 31.823 -0.319 0.000 1.008 443 V HN 0.289 nan 8.190 nan 0.000 0.424 444 I N 6.467 126.778 120.570 -0.432 0.000 2.433 444 I HA 0.471 4.641 4.170 -0.000 0.000 0.292 444 I C -1.025 174.942 176.117 -0.249 0.000 1.001 444 I CA -0.782 60.268 61.300 -0.416 0.000 1.119 444 I CB 1.852 39.622 38.000 -0.384 0.000 1.289 444 I HN 0.427 nan 8.210 nan 0.000 0.438 445 L N 6.196 127.293 121.223 -0.211 0.000 2.298 445 L HA 0.434 4.774 4.340 -0.000 0.000 0.284 445 L C 0.705 177.657 176.870 0.136 0.000 1.013 445 L CA 0.480 55.285 54.840 -0.058 0.000 0.824 445 L CB 1.572 43.590 42.059 -0.068 0.000 1.221 445 L HN 0.709 nan 8.230 nan 0.000 0.418 446 S N 2.986 118.800 115.700 0.191 0.000 2.554 446 S HA 0.210 4.680 4.470 -0.000 0.000 0.227 446 S C 1.741 176.527 174.600 0.310 0.000 1.050 446 S CA 0.229 58.651 58.200 0.369 0.000 0.927 446 S CB -0.096 63.395 63.200 0.485 0.000 0.859 446 S HN 0.735 nan 8.310 nan 0.000 0.494 447 A N 3.616 126.452 122.820 0.026 0.000 1.909 447 A HA -0.092 4.228 4.320 -0.000 0.000 0.221 447 A C -0.002 177.434 177.584 -0.247 0.000 1.223 447 A CA 2.267 54.175 52.037 -0.215 0.000 0.658 447 A CB -1.961 16.664 19.000 -0.624 0.000 0.831 447 A HN 0.639 nan 8.150 nan 0.000 0.462 448 P HA 0.050 nan 4.420 nan 0.000 0.257 448 P C -0.460 176.843 177.300 0.005 0.000 1.281 448 P CA 0.252 63.170 63.100 -0.302 0.000 0.826 448 P CB 0.069 31.457 31.700 -0.521 0.000 1.237 449 W N -0.314 121.187 121.300 0.335 0.000 1.513 449 W HA 0.282 4.942 4.660 -0.000 0.000 0.311 449 W C -0.656 176.001 176.519 0.231 0.000 0.821 449 W CA -0.862 56.646 57.345 0.271 0.000 2.622 449 W CB -0.539 29.006 29.460 0.142 0.000 1.907 449 W HN -0.110 nan 8.180 nan 0.000 0.562 450 Y N 1.651 122.131 120.300 0.300 0.000 2.594 450 Y HA 0.112 4.662 4.550 -0.000 0.000 0.344 450 Y C 1.594 177.596 175.900 0.171 0.000 1.185 450 Y CA 0.001 58.241 58.100 0.234 0.000 1.565 450 Y CB 0.063 38.669 38.460 0.244 0.000 1.415 450 Y HN -0.030 nan 8.280 nan 0.000 0.488 451 L N 1.640 122.887 121.223 0.040 0.000 2.362 451 L HA -0.163 4.177 4.340 -0.000 0.000 0.219 451 L C 1.784 178.681 176.870 0.046 0.000 1.134 451 L CA 1.101 55.904 54.840 -0.061 0.000 0.807 451 L CB -0.260 41.647 42.059 -0.254 0.000 0.927 451 L HN 0.581 nan 8.230 nan 0.000 0.447 452 D N 0.846 121.307 120.400 0.102 0.000 2.149 452 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 452 D C 1.089 177.521 176.300 0.220 0.000 0.972 452 D CA 0.403 54.499 54.000 0.159 0.000 0.835 452 D CB -0.345 40.578 40.800 0.205 0.000 0.966 452 D HN 0.253 nan 8.370 nan 0.000 0.476 453 L N 2.130 123.518 121.223 0.274 0.000 2.515 453 L HA 0.230 4.570 4.340 -0.000 0.000 0.281 453 L C 0.315 177.330 176.870 0.240 0.000 1.131 453 L CA -0.384 54.609 54.840 0.254 0.000 0.905 453 L CB -0.193 42.029 42.059 0.272 0.000 1.246 453 L HN 0.077 nan 8.230 nan 0.000 0.463 454 I N 1.017 121.701 120.570 0.189 0.000 2.437 454 I HA 0.737 4.907 4.170 -0.000 0.000 0.298 454 I C 0.253 176.463 176.117 0.155 0.000 0.984 454 I CA -0.306 61.101 61.300 0.178 0.000 1.214 454 I CB 1.920 40.005 38.000 0.141 0.000 1.365 454 I HN 0.511 nan 8.210 nan 0.000 0.469 455 S N 3.934 119.733 115.700 0.165 0.000 2.595 455 S HA 0.491 4.961 4.470 -0.000 0.000 0.281 455 S C -0.785 173.920 174.600 0.174 0.000 1.117 455 S CA -0.736 57.558 58.200 0.157 0.000 0.873 455 S CB 1.305 64.585 63.200 0.134 0.000 1.108 455 S HN 0.680 nan 8.310 nan 0.000 0.477 456 Y N 2.255 122.595 120.300 0.066 0.000 2.597 456 Y HA 0.398 4.948 4.550 -0.000 0.000 0.336 456 Y C 1.042 176.991 175.900 0.081 0.000 1.216 456 Y CA 1.988 60.128 58.100 0.066 0.000 1.463 456 Y CB -0.325 38.163 38.460 0.047 0.000 1.303 456 Y HN 1.583 nan 8.280 nan 0.000 0.576 457 G N 4.429 112.917 108.800 -0.519 0.000 2.860 457 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.553 457 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.553 457 G C -0.761 174.135 174.900 -0.008 0.000 1.439 457 G CA -0.319 44.611 45.100 -0.284 0.000 0.879 457 G HN 0.883 nan 8.290 nan 0.000 0.545 458 Q N 0.727 120.579 119.800 0.086 0.000 2.574 458 Q HA 0.070 4.410 4.340 -0.000 0.000 0.236 458 Q C 1.162 177.153 176.000 -0.016 0.000 1.343 458 Q CA 0.782 56.707 55.803 0.203 0.000 0.870 458 Q CB -0.094 28.790 28.738 0.243 0.000 1.655 458 Q HN 0.658 nan 8.270 nan 0.000 0.544 459 D N 0.819 121.266 120.400 0.078 0.000 2.340 459 D HA -0.144 4.496 4.640 -0.000 0.000 0.220 459 D C 1.188 177.413 176.300 -0.124 0.000 1.039 459 D CA -0.097 53.852 54.000 -0.085 0.000 0.866 459 D CB -0.239 40.538 40.800 -0.040 0.000 0.913 459 D HN 0.717 nan 8.370 nan 0.000 0.523 460 W N 1.753 123.166 121.300 0.189 0.000 2.392 460 W HA -0.048 4.612 4.660 -0.000 0.000 0.279 460 W C 1.268 177.991 176.519 0.340 0.000 1.225 460 W CA 0.142 57.727 57.345 0.400 0.000 1.233 460 W CB -0.776 28.869 29.460 0.310 0.000 1.122 460 W HN -0.047 nan 8.180 nan 0.000 0.561 461 R N 1.244 121.274 120.500 -0.783 0.000 2.075 461 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 461 R C 2.292 178.497 176.300 -0.157 0.000 1.126 461 R CA 1.749 57.452 56.100 -0.663 0.000 0.963 461 R CB -0.582 29.202 30.300 -0.860 0.000 0.858 461 R HN 0.090 nan 8.270 nan 0.000 0.435 462 K N 0.093 120.339 120.400 -0.257 0.000 2.280 462 K HA -0.162 4.158 4.320 -0.000 0.000 0.202 462 K C 1.056 177.629 176.600 -0.046 0.000 1.047 462 K CA 1.307 57.466 56.287 -0.213 0.000 0.942 462 K CB 0.103 32.392 32.500 -0.352 0.000 0.739 462 K HN 0.181 nan 8.250 nan 0.000 0.457 463 Y N -1.896 118.631 120.300 0.378 0.000 2.389 463 Y HA -0.022 4.528 4.550 -0.000 0.000 0.292 463 Y C 1.916 178.216 175.900 0.666 0.000 1.117 463 Y CA 0.392 58.880 58.100 0.647 0.000 1.195 463 Y CB -0.732 38.067 38.460 0.565 0.000 1.076 463 Y HN 0.051 nan 8.280 nan 0.000 0.548 464 Y N 1.355 121.970 120.300 0.525 0.000 2.242 464 Y HA -0.144 4.406 4.550 -0.000 0.000 0.291 464 Y C 2.095 178.196 175.900 0.335 0.000 1.137 464 Y CA 1.495 59.866 58.100 0.453 0.000 1.181 464 Y CB -0.071 38.690 38.460 0.501 0.000 0.989 464 Y HN -0.066 nan 8.280 nan 0.000 0.527 465 K N -0.197 120.403 120.400 0.333 0.000 2.103 465 K HA -0.029 4.290 4.320 -0.000 0.000 0.204 465 K C 0.422 177.127 176.600 0.176 0.000 1.052 465 K CA 0.689 57.092 56.287 0.194 0.000 0.945 465 K CB -0.367 32.210 32.500 0.128 0.000 0.722 465 K HN -0.033 nan 8.250 nan 0.000 0.443 466 V N 3.195 123.264 119.914 0.259 0.000 2.644 466 V HA -0.141 3.979 4.120 -0.000 0.000 0.303 466 V C 0.251 176.479 176.094 0.223 0.000 1.058 466 V CA 0.611 63.048 62.300 0.230 0.000 1.228 466 V CB 0.021 31.979 31.823 0.225 0.000 0.861 466 V HN 0.248 nan 8.190 nan 0.000 0.484 467 E N 9.568 129.856 120.200 0.147 0.000 2.063 467 E HA 0.342 4.692 4.350 -0.000 0.000 0.265 467 E C -1.488 175.187 176.600 0.124 0.000 0.919 467 E CA -2.428 54.049 56.400 0.128 0.000 0.756 467 E CB 1.497 31.245 29.700 0.081 0.000 1.120 467 E HN 0.353 nan 8.360 nan 0.000 0.414 468 P HA -0.119 nan 4.420 nan 0.000 0.218 468 P C 0.819 178.130 177.300 0.019 0.000 1.149 468 P CA 0.812 63.948 63.100 0.061 0.000 0.817 468 P CB 0.312 32.000 31.700 -0.021 0.000 0.785 469 L N 0.077 121.279 121.223 -0.035 0.000 2.682 469 L HA 0.082 4.422 4.340 -0.000 0.000 0.240 469 L C -0.126 176.765 176.870 0.035 0.000 1.178 469 L CA 0.214 55.061 54.840 0.011 0.000 0.970 469 L CB -0.739 41.276 42.059 -0.073 0.000 1.179 469 L HN -0.190 nan 8.230 nan 0.000 0.435 470 D N 1.264 121.772 120.400 0.179 0.000 2.500 470 D HA 0.402 5.042 4.640 -0.000 0.000 0.219 470 D C -0.204 176.264 176.300 0.280 0.000 1.137 470 D CA 0.147 54.217 54.000 0.118 0.000 0.946 470 D CB 0.283 41.129 40.800 0.077 0.000 1.022 470 D HN 0.075 nan 8.370 nan 0.000 0.518 471 F N -1.738 118.210 119.950 -0.005 0.000 3.169 471 F HA 0.620 5.147 4.527 -0.000 0.000 0.325 471 F C -0.071 175.736 175.800 0.013 0.000 1.175 471 F CA -1.660 56.342 58.000 0.003 0.000 0.887 471 F CB 0.591 39.611 39.000 0.033 0.000 1.457 471 F HN -0.016 nan 8.300 nan 0.000 0.496 472 G N 0.152 109.068 108.800 0.193 0.000 2.571 472 G HA2 0.584 4.544 3.960 -0.000 0.000 0.327 472 G HA3 0.584 4.544 3.960 -0.000 0.000 0.327 472 G C -0.518 174.421 174.900 0.064 0.000 1.008 472 G CA -0.143 44.998 45.100 0.068 0.000 1.136 472 G HN 1.347 nan 8.290 nan 0.000 0.444 473 G N 0.913 109.655 108.800 -0.096 0.000 2.579 473 G HA2 0.634 4.594 3.960 -0.000 0.000 0.292 473 G HA3 0.634 4.594 3.960 -0.000 0.000 0.292 473 G C -0.182 174.664 174.900 -0.091 0.000 1.484 473 G CA 0.019 45.089 45.100 -0.050 0.000 0.813 473 G HN 0.825 nan 8.290 nan 0.000 0.515 474 T N -1.627 112.906 114.554 -0.034 0.000 2.766 474 T HA 0.222 4.572 4.350 -0.000 0.000 0.295 474 T C 1.350 176.022 174.700 -0.046 0.000 1.024 474 T CA 0.247 62.326 62.100 -0.036 0.000 1.018 474 T CB 1.101 69.963 68.868 -0.010 0.000 1.002 474 T HN 0.575 nan 8.240 nan 0.000 0.532 475 Q N -0.036 119.739 119.800 -0.043 0.000 2.368 475 Q HA -0.095 4.245 4.340 -0.000 0.000 0.210 475 Q C 2.149 178.141 176.000 -0.013 0.000 0.982 475 Q CA 0.840 56.619 55.803 -0.039 0.000 0.884 475 Q CB -0.092 28.624 28.738 -0.037 0.000 0.933 475 Q HN 0.586 nan 8.270 nan 0.000 0.460 476 K N 1.281 121.681 120.400 -0.001 0.000 2.137 476 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 476 K C 1.663 178.290 176.600 0.044 0.000 1.052 476 K CA 1.048 57.345 56.287 0.017 0.000 0.961 476 K CB 0.229 32.736 32.500 0.013 0.000 0.741 476 K HN 0.294 nan 8.250 nan 0.000 0.452 477 Q N 0.261 120.091 119.800 0.050 0.000 2.291 477 Q HA -0.054 4.286 4.340 -0.000 0.000 0.205 477 Q C 1.633 177.732 176.000 0.164 0.000 0.970 477 Q CA 0.843 56.710 55.803 0.107 0.000 0.876 477 Q CB 0.156 28.964 28.738 0.117 0.000 0.935 477 Q HN 0.096 nan 8.270 nan 0.000 0.455 478 K N 0.435 120.887 120.400 0.087 0.000 2.365 478 K HA -0.088 4.232 4.320 -0.000 0.000 0.199 478 K C 1.721 178.424 176.600 0.172 0.000 1.045 478 K CA 0.706 57.059 56.287 0.110 0.000 0.962 478 K CB 0.195 32.681 32.500 -0.025 0.000 0.759 478 K HN 0.147 nan 8.250 nan 0.000 0.469 479 Q N 0.650 120.527 119.800 0.127 0.000 2.172 479 Q HA 0.082 4.422 4.340 -0.000 0.000 0.200 479 Q C 1.912 178.019 176.000 0.178 0.000 0.964 479 Q CA 0.729 56.606 55.803 0.124 0.000 0.855 479 Q CB -0.044 28.737 28.738 0.071 0.000 0.918 479 Q HN 0.213 nan 8.270 nan 0.000 0.444 480 L N -0.792 120.547 121.223 0.192 0.000 2.291 480 L HA -0.016 4.324 4.340 -0.000 0.000 0.214 480 L C 0.370 177.376 176.870 0.226 0.000 1.120 480 L CA -0.210 54.734 54.840 0.175 0.000 0.799 480 L CB -0.068 42.074 42.059 0.139 0.000 0.925 480 L HN 0.171 nan 8.230 nan 0.000 0.446 481 F N 1.440 121.513 119.950 0.205 0.000 2.502 481 F HA 0.092 4.619 4.527 -0.000 0.000 0.371 481 F C 1.143 177.116 175.800 0.289 0.000 1.083 481 F CA -0.474 57.669 58.000 0.238 0.000 1.174 481 F CB 0.434 39.656 39.000 0.369 0.000 1.096 481 F HN -0.052 nan 8.300 nan 0.000 0.545 482 I N 2.758 123.449 120.570 0.202 0.000 4.082 482 I HA 0.645 4.815 4.170 -0.000 0.000 0.337 482 I C 0.664 176.964 176.117 0.306 0.000 1.352 482 I CA 0.285 61.764 61.300 0.298 0.000 1.097 482 I CB -0.229 37.832 38.000 0.102 0.000 1.048 482 I HN 0.669 nan 8.210 nan 0.000 0.393 483 G N 0.425 109.239 108.800 0.024 0.000 2.347 483 G HA2 0.337 4.297 3.960 -0.000 0.000 0.341 483 G HA3 0.337 4.297 3.960 -0.000 0.000 0.341 483 G C -0.849 174.023 174.900 -0.046 0.000 1.287 483 G CA -0.442 44.628 45.100 -0.049 0.000 0.984 483 G HN 0.508 nan 8.290 nan 0.000 0.526 484 G N -1.293 107.610 108.800 0.171 0.000 2.788 484 G HA2 0.766 4.726 3.960 -0.000 0.000 0.293 484 G HA3 0.766 4.726 3.960 -0.000 0.000 0.293 484 G C -1.112 174.003 174.900 0.357 0.000 1.305 484 G CA -0.365 44.948 45.100 0.356 0.000 1.005 484 G HN 0.654 nan 8.290 nan 0.000 0.496 485 E N -0.826 119.615 120.200 0.403 0.000 2.293 485 E HA 0.538 4.888 4.350 -0.000 0.000 0.270 485 E C -0.423 176.338 176.600 0.267 0.000 0.879 485 E CA -0.838 55.748 56.400 0.309 0.000 0.756 485 E CB 2.523 32.387 29.700 0.274 0.000 1.208 485 E HN 0.658 nan 8.360 nan 0.000 0.428 486 A N 1.368 124.247 122.820 0.098 0.000 2.322 486 A HA 0.505 4.825 4.320 -0.000 0.000 0.269 486 A C -0.559 176.915 177.584 -0.183 0.000 1.094 486 A CA -0.303 51.704 52.037 -0.050 0.000 0.807 486 A CB 0.388 19.253 19.000 -0.225 0.000 1.047 486 A HN 0.677 nan 8.150 nan 0.000 0.487 487 C N 1.348 120.484 119.300 -0.274 0.000 2.446 487 C HA 0.527 4.987 4.460 -0.000 0.000 0.329 487 C C -0.385 174.308 174.990 -0.495 0.000 1.166 487 C CA -0.290 58.403 59.018 -0.541 0.000 1.341 487 C CB 0.581 27.864 27.740 -0.760 0.000 1.970 487 C HN 0.794 nan 8.230 nan 0.000 0.452 488 L N 3.637 124.539 121.223 -0.535 0.000 2.679 488 L HA 0.476 4.816 4.340 -0.000 0.000 0.238 488 L C -0.612 176.088 176.870 -0.284 0.000 1.330 488 L CA -0.001 54.646 54.840 -0.321 0.000 0.935 488 L CB -0.175 41.707 42.059 -0.296 0.000 1.243 488 L HN 0.759 nan 8.230 nan 0.000 0.484 489 W N 1.280 122.428 121.300 -0.253 0.000 2.209 489 W HA 0.325 4.985 4.660 -0.000 0.000 0.344 489 W C 1.575 178.006 176.519 -0.146 0.000 1.285 489 W CA 0.407 57.605 57.345 -0.246 0.000 1.267 489 W CB 0.624 29.914 29.460 -0.283 0.000 1.167 489 W HN 0.540 nan 8.180 nan 0.000 0.574 490 G N 0.926 109.788 108.800 0.104 0.000 3.042 490 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.212 490 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.212 490 G C 1.046 175.939 174.900 -0.010 0.000 1.166 490 G CA -0.007 45.132 45.100 0.064 0.000 0.767 490 G HN 0.546 nan 8.290 nan 0.000 0.546 491 E N -0.048 120.056 120.200 -0.161 0.000 2.169 491 E HA -0.207 4.143 4.350 -0.000 0.000 0.202 491 E C 0.465 176.709 176.600 -0.593 0.000 1.016 491 E CA 1.416 57.517 56.400 -0.497 0.000 0.817 491 E CB -0.221 29.071 29.700 -0.681 0.000 0.736 491 E HN 0.667 nan 8.360 nan 0.000 0.462 492 Y N -1.539 118.862 120.300 0.168 0.000 2.715 492 Y HA 0.354 4.903 4.550 -0.000 0.000 0.255 492 Y C -0.738 175.265 175.900 0.170 0.000 1.139 492 Y CA -0.547 57.667 58.100 0.189 0.000 1.151 492 Y CB 0.843 39.372 38.460 0.116 0.000 1.201 492 Y HN -0.253 nan 8.280 nan 0.000 0.556 493 V N 1.910 122.006 119.914 0.303 0.000 2.525 493 V HA 0.408 4.528 4.120 -0.000 0.000 0.299 493 V C -0.627 175.610 176.094 0.238 0.000 1.034 493 V CA -0.769 61.651 62.300 0.200 0.000 0.863 493 V CB 1.865 33.755 31.823 0.112 0.000 0.999 493 V HN 0.307 nan 8.190 nan 0.000 0.423 494 D N 4.553 125.002 120.400 0.082 0.000 2.831 494 D HA 0.512 5.152 4.640 -0.000 0.000 0.240 494 D C 1.251 177.562 176.300 0.018 0.000 1.183 494 D CA 0.117 54.142 54.000 0.042 0.000 1.079 494 D CB 1.524 42.246 40.800 -0.130 0.000 1.262 494 D HN 0.402 nan 8.370 nan 0.000 0.634 495 A N -0.507 122.318 122.820 0.009 0.000 2.019 495 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 495 A C 2.040 179.624 177.584 -0.001 0.000 1.164 495 A CA 2.890 54.928 52.037 0.001 0.000 0.644 495 A CB -1.418 17.584 19.000 0.004 0.000 0.805 495 A HN 0.723 nan 8.150 nan 0.000 0.449 496 T N -1.480 113.070 114.554 -0.007 0.000 2.995 496 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 496 T C 1.184 175.888 174.700 0.006 0.000 1.091 496 T CA 1.325 63.423 62.100 -0.003 0.000 1.128 496 T CB -0.296 68.564 68.868 -0.012 0.000 0.891 496 T HN 0.654 nan 8.240 nan 0.000 0.492 497 N N 0.090 118.797 118.700 0.011 0.000 2.168 497 N HA 0.170 4.909 4.740 -0.000 0.000 0.216 497 N C 1.467 176.984 175.510 0.011 0.000 1.259 497 N CA 0.013 53.075 53.050 0.018 0.000 0.902 497 N CB -0.403 38.103 38.487 0.032 0.000 1.079 497 N HN 0.401 nan 8.380 nan 0.000 0.507 498 L N 1.636 122.861 121.223 0.003 0.000 1.955 498 L HA -0.153 4.186 4.340 -0.000 0.000 0.213 498 L C 1.802 178.656 176.870 -0.026 0.000 1.072 498 L CA 2.205 57.030 54.840 -0.025 0.000 0.755 498 L CB -1.001 41.040 42.059 -0.030 0.000 0.888 498 L HN 0.076 nan 8.230 nan 0.000 0.432 499 T N 0.373 114.949 114.554 0.037 0.000 2.597 499 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 499 T C -0.477 174.302 174.700 0.132 0.000 1.053 499 T CA 2.168 64.352 62.100 0.140 0.000 1.165 499 T CB -1.573 67.369 68.868 0.122 0.000 0.863 499 T HN 0.370 nan 8.240 nan 0.000 0.427 500 P HA 0.002 nan 4.420 nan 0.000 0.216 500 P C 1.555 178.864 177.300 0.015 0.000 1.153 500 P CA 1.027 64.157 63.100 0.050 0.000 0.848 500 P CB -0.052 31.668 31.700 0.033 0.000 0.787 501 R N -0.490 120.001 120.500 -0.015 0.000 2.081 501 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 501 R C 2.263 178.481 176.300 -0.138 0.000 1.131 501 R CA 1.103 57.180 56.100 -0.038 0.000 0.960 501 R CB -0.914 29.373 30.300 -0.023 0.000 0.856 501 R HN 0.158 nan 8.270 nan 0.000 0.436 502 L N -0.559 120.500 121.223 -0.273 0.000 2.044 502 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 502 L C -0.047 176.376 176.870 -0.746 0.000 1.075 502 L CA 0.933 55.381 54.840 -0.654 0.000 0.747 502 L CB 0.076 41.555 42.059 -0.967 0.000 0.903 502 L HN 0.142 nan 8.230 nan 0.000 0.435 503 W N -0.719 120.532 121.300 -0.083 0.000 2.606 503 W HA 0.357 5.017 4.660 -0.000 0.000 0.332 503 W C -1.884 174.583 176.519 -0.086 0.000 1.052 503 W CA -1.740 55.549 57.345 -0.092 0.000 1.223 503 W CB 0.284 29.677 29.460 -0.110 0.000 1.383 503 W HN -0.160 nan 8.180 nan 0.000 0.524 504 P HA 0.177 nan 4.420 nan 0.000 0.248 504 P C 0.711 178.059 177.300 0.080 0.000 1.708 504 P CA -0.035 63.130 63.100 0.108 0.000 1.062 504 P CB 0.315 31.946 31.700 -0.115 0.000 1.562 505 R N 0.259 120.792 120.500 0.056 0.000 2.119 505 R HA 0.100 4.440 4.340 -0.000 0.000 0.222 505 R C 1.961 178.278 176.300 0.027 0.000 1.088 505 R CA 1.323 57.487 56.100 0.107 0.000 0.984 505 R CB -0.447 29.894 30.300 0.069 0.000 0.884 505 R HN 0.166 nan 8.270 nan 0.000 0.447 506 A N 0.251 122.979 122.820 -0.154 0.000 2.167 506 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 506 A C 1.997 179.794 177.584 0.356 0.000 1.151 506 A CA 0.773 52.733 52.037 -0.127 0.000 0.735 506 A CB -0.072 18.533 19.000 -0.659 0.000 0.802 506 A HN 0.132 nan 8.150 nan 0.000 0.467 507 S N 0.196 116.152 115.700 0.426 0.000 2.383 507 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 507 S C 2.295 177.285 174.600 0.650 0.000 1.030 507 S CA 1.233 59.722 58.200 0.481 0.000 1.002 507 S CB -0.345 62.873 63.200 0.031 0.000 0.829 507 S HN 0.800 nan 8.310 nan 0.000 0.467 508 A N 1.039 124.221 122.820 0.604 0.000 1.902 508 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 508 A C 2.269 180.169 177.584 0.526 0.000 1.181 508 A CA 1.488 54.051 52.037 0.877 0.000 0.623 508 A CB -0.807 18.777 19.000 0.973 0.000 0.818 508 A HN 0.366 nan 8.150 nan 0.000 0.443 509 V N -0.041 119.995 119.914 0.204 0.000 2.626 509 V HA -0.138 3.982 4.120 -0.000 0.000 0.252 509 V C 2.658 178.693 176.094 -0.098 0.000 1.067 509 V CA 1.619 63.773 62.300 -0.244 0.000 1.081 509 V CB -1.382 30.106 31.823 -0.557 0.000 0.686 509 V HN 0.605 nan 8.190 nan 0.000 0.468 510 G N -0.105 108.776 108.800 0.134 0.000 2.394 510 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.214 510 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.214 510 G C 1.513 176.459 174.900 0.078 0.000 1.176 510 G CA 0.856 45.874 45.100 -0.135 0.000 0.786 510 G HN 0.565 nan 8.290 nan 0.000 0.533 511 E N -0.025 120.343 120.200 0.279 0.000 2.106 511 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 511 E C 2.454 179.089 176.600 0.059 0.000 0.984 511 E CA 0.747 57.172 56.400 0.041 0.000 0.806 511 E CB -0.053 29.495 29.700 -0.253 0.000 0.750 511 E HN 0.200 nan 8.360 nan 0.000 0.458 512 R N 0.077 120.615 120.500 0.064 0.000 2.285 512 R HA 0.030 4.370 4.340 -0.000 0.000 0.213 512 R C 1.481 177.866 176.300 0.142 0.000 1.068 512 R CA 0.947 57.068 56.100 0.035 0.000 1.004 512 R CB -0.094 30.241 30.300 0.059 0.000 0.873 512 R HN 0.320 nan 8.270 nan 0.000 0.467 513 L N -1.737 119.565 121.223 0.132 0.000 2.672 513 L HA 0.154 4.494 4.340 -0.000 0.000 0.236 513 L C 1.703 178.780 176.870 0.345 0.000 1.092 513 L CA -0.243 54.755 54.840 0.262 0.000 0.887 513 L CB -0.114 42.003 42.059 0.098 0.000 1.168 513 L HN 0.266 nan 8.230 nan 0.000 0.502 514 W N 0.860 122.189 121.300 0.048 0.000 2.848 514 W HA 0.173 4.833 4.660 -0.000 0.000 0.288 514 W C 0.841 177.353 176.519 -0.012 0.000 1.060 514 W CA 0.251 57.607 57.345 0.017 0.000 1.712 514 W CB -0.074 29.367 29.460 -0.032 0.000 1.155 514 W HN -0.132 nan 8.180 nan 0.000 0.540 515 S N 1.791 117.665 115.700 0.290 0.000 2.580 515 S HA 0.046 4.516 4.470 -0.000 0.000 0.266 515 S C 0.354 174.948 174.600 -0.010 0.000 1.354 515 S CA -0.325 57.956 58.200 0.135 0.000 1.008 515 S CB 0.891 64.131 63.200 0.065 0.000 0.898 515 S HN 0.105 nan 8.310 nan 0.000 0.555 516 S N 1.199 116.875 115.700 -0.040 0.000 2.569 516 S HA 0.027 4.497 4.470 -0.000 0.000 0.274 516 S C 1.549 176.126 174.600 -0.039 0.000 1.353 516 S CA -0.510 57.651 58.200 -0.066 0.000 1.023 516 S CB 0.341 63.506 63.200 -0.059 0.000 0.876 516 S HN 0.717 nan 8.310 nan 0.000 0.540 517 K N 1.304 121.677 120.400 -0.046 0.000 2.103 517 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 517 K C 1.034 177.627 176.600 -0.012 0.000 1.048 517 K CA 1.821 58.097 56.287 -0.019 0.000 0.930 517 K CB -0.240 32.240 32.500 -0.034 0.000 0.716 517 K HN 0.769 nan 8.250 nan 0.000 0.444 518 D N 0.076 120.467 120.400 -0.016 0.000 2.354 518 D HA -0.037 4.603 4.640 -0.000 0.000 0.209 518 D C 0.403 176.711 176.300 0.015 0.000 1.015 518 D CA -0.021 53.979 54.000 -0.001 0.000 0.867 518 D CB 0.042 40.839 40.800 -0.005 0.000 0.933 518 D HN -0.083 nan 8.370 nan 0.000 0.520 519 V N 1.831 121.750 119.914 0.007 0.000 2.390 519 V HA 0.118 4.238 4.120 -0.000 0.000 0.260 519 V C 1.121 177.250 176.094 0.059 0.000 1.043 519 V CA 0.262 62.581 62.300 0.033 0.000 1.047 519 V CB -0.185 31.644 31.823 0.010 0.000 1.066 519 V HN 0.163 nan 8.190 nan 0.000 0.481 520 R N 1.618 122.200 120.500 0.138 0.000 2.532 520 R HA 0.126 4.466 4.340 -0.000 0.000 0.312 520 R C -0.077 176.414 176.300 0.318 0.000 0.923 520 R CA -0.536 55.690 56.100 0.210 0.000 1.115 520 R CB 0.500 30.861 30.300 0.102 0.000 1.703 520 R HN 0.653 nan 8.270 nan 0.000 0.498 521 D N 1.036 121.577 120.400 0.235 0.000 2.401 521 D HA 0.021 4.661 4.640 -0.000 0.000 0.254 521 D C 1.101 177.538 176.300 0.230 0.000 1.192 521 D CA 0.116 54.231 54.000 0.192 0.000 0.885 521 D CB 0.956 41.834 40.800 0.130 0.000 1.147 521 D HN -0.186 nan 8.370 nan 0.000 0.478 522 M N 2.463 122.183 119.600 0.200 0.000 2.077 522 M HA -0.059 4.421 4.480 -0.000 0.000 0.261 522 M C 1.356 177.795 176.300 0.232 0.000 1.070 522 M CA 1.302 56.724 55.300 0.203 0.000 1.125 522 M CB -0.442 32.227 32.600 0.115 0.000 1.339 522 M HN 0.400 nan 8.290 nan 0.000 0.409 523 D N -0.181 120.318 120.400 0.166 0.000 2.351 523 D HA -0.145 4.495 4.640 -0.000 0.000 0.216 523 D C 1.480 177.890 176.300 0.184 0.000 0.968 523 D CA 0.976 55.078 54.000 0.171 0.000 0.899 523 D CB -0.143 40.719 40.800 0.104 0.000 0.907 523 D HN 0.477 nan 8.370 nan 0.000 0.514 524 D N -0.989 119.511 120.400 0.168 0.000 2.259 524 D HA 0.127 4.767 4.640 -0.000 0.000 0.216 524 D C 1.992 178.390 176.300 0.164 0.000 0.961 524 D CA 0.793 54.877 54.000 0.140 0.000 0.878 524 D CB 0.198 41.065 40.800 0.112 0.000 1.009 524 D HN 0.032 nan 8.370 nan 0.000 0.490 525 A N -0.090 122.846 122.820 0.194 0.000 1.858 525 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 525 A C 2.152 179.881 177.584 0.242 0.000 1.190 525 A CA 1.550 53.713 52.037 0.210 0.000 0.617 525 A CB -1.389 17.595 19.000 -0.027 0.000 0.827 525 A HN 0.522 nan 8.150 nan 0.000 0.443 526 Y N 0.925 121.308 120.300 0.139 0.000 2.128 526 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 526 Y C 2.154 178.052 175.900 -0.004 0.000 1.154 526 Y CA 2.219 60.331 58.100 0.021 0.000 1.149 526 Y CB -0.311 38.274 38.460 0.208 0.000 0.976 526 Y HN 0.472 nan 8.280 nan 0.000 0.505 527 D N -0.273 120.150 120.400 0.038 0.000 2.182 527 D HA -0.193 4.447 4.640 -0.000 0.000 0.201 527 D C 2.033 178.283 176.300 -0.083 0.000 0.986 527 D CA 1.253 55.216 54.000 -0.061 0.000 0.847 527 D CB 0.024 40.862 40.800 0.063 0.000 0.942 527 D HN 0.455 nan 8.370 nan 0.000 0.467 528 R N -0.542 119.975 120.500 0.028 0.000 2.075 528 R HA -0.014 4.326 4.340 -0.000 0.000 0.220 528 R C 2.310 178.643 176.300 0.055 0.000 1.118 528 R CA 0.048 56.213 56.100 0.109 0.000 0.986 528 R CB -0.244 30.216 30.300 0.266 0.000 0.884 528 R HN 0.106 nan 8.270 nan 0.000 0.439 529 L N 1.282 122.478 121.223 -0.044 0.000 2.012 529 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 529 L C 2.284 178.889 176.870 -0.441 0.000 1.073 529 L CA 2.308 56.844 54.840 -0.506 0.000 0.748 529 L CB -0.935 40.625 42.059 -0.832 0.000 0.891 529 L HN 0.322 nan 8.230 nan 0.000 0.431 530 T N -3.271 111.002 114.554 -0.469 0.000 2.803 530 T HA -0.258 4.092 4.350 -0.000 0.000 0.269 530 T C 2.059 176.580 174.700 -0.298 0.000 1.052 530 T CA 1.491 63.336 62.100 -0.425 0.000 1.136 530 T CB -0.469 68.061 68.868 -0.564 0.000 0.864 530 T HN 0.308 nan 8.240 nan 0.000 0.467 531 R N -0.435 119.925 120.500 -0.233 0.000 2.297 531 R HA 0.161 4.501 4.340 -0.000 0.000 0.197 531 R C 2.406 178.636 176.300 -0.117 0.000 0.943 531 R CA 0.471 56.470 56.100 -0.169 0.000 1.038 531 R CB -0.178 30.044 30.300 -0.131 0.000 0.957 531 R HN 0.659 nan 8.270 nan 0.000 0.484 532 H N -0.158 118.767 119.070 -0.240 0.000 2.516 532 H HA 0.093 4.649 4.556 -0.000 0.000 0.284 532 H C 1.912 177.063 175.328 -0.295 0.000 0.999 532 H CA 0.323 56.219 56.048 -0.253 0.000 1.303 532 H CB 0.450 30.041 29.762 -0.285 0.000 1.452 532 H HN -0.027 nan 8.280 nan 0.000 0.530 533 R N 0.849 121.081 120.500 -0.446 0.000 2.092 533 R HA -0.083 4.256 4.340 -0.000 0.000 0.231 533 R C 2.037 178.140 176.300 -0.328 0.000 1.119 533 R CA 1.258 57.105 56.100 -0.422 0.000 0.970 533 R CB -0.968 29.139 30.300 -0.323 0.000 0.864 533 R HN 0.351 nan 8.270 nan 0.000 0.440 534 c N 0.313 118.746 118.600 -0.278 0.000 2.432 534 c HA 0.015 4.585 4.570 -0.000 0.000 0.280 534 c C 2.860 176.809 174.090 -0.235 0.000 1.353 534 c CA 0.743 56.934 56.329 -0.229 0.000 1.766 534 c CB -1.029 41.350 42.510 -0.219 0.000 1.924 534 c HN 0.520 nan 8.230 nan 0.000 0.509 535 R N 0.417 120.748 120.500 -0.282 0.000 2.062 535 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 535 R C 2.131 178.224 176.300 -0.344 0.000 1.128 535 R CA 1.551 57.480 56.100 -0.284 0.000 0.960 535 R CB -0.260 29.882 30.300 -0.264 0.000 0.855 535 R HN 0.431 nan 8.270 nan 0.000 0.432 536 M N 0.010 119.350 119.600 -0.433 0.000 2.229 536 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 536 M C 2.126 178.287 176.300 -0.231 0.000 1.063 536 M CA 1.005 56.077 55.300 -0.379 0.000 1.114 536 M CB 0.025 32.366 32.600 -0.431 0.000 1.387 536 M HN 0.029 nan 8.290 nan 0.000 0.420 537 V N 0.734 120.525 119.914 -0.206 0.000 2.332 537 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 537 V C 2.023 178.054 176.094 -0.105 0.000 1.055 537 V CA 1.993 64.214 62.300 -0.132 0.000 1.038 537 V CB -0.568 31.182 31.823 -0.122 0.000 0.651 537 V HN 0.494 nan 8.190 nan 0.000 0.450 538 E N -0.541 119.583 120.200 -0.127 0.000 2.216 538 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 538 E C 1.952 178.511 176.600 -0.068 0.000 0.988 538 E CA 0.410 56.756 56.400 -0.090 0.000 0.834 538 E CB -0.017 29.626 29.700 -0.096 0.000 0.772 538 E HN 0.495 nan 8.360 nan 0.000 0.479 539 R N -0.442 119.985 120.500 -0.122 0.000 2.449 539 R HA 0.127 4.467 4.340 -0.000 0.000 0.262 539 R C 0.795 177.120 176.300 0.041 0.000 1.006 539 R CA 0.468 56.528 56.100 -0.066 0.000 1.104 539 R CB 0.759 30.825 30.300 -0.390 0.000 1.206 539 R HN 0.250 nan 8.270 nan 0.000 0.538 540 G N 0.993 109.795 108.800 0.003 0.000 2.399 540 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.216 540 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.216 540 G C 0.245 175.141 174.900 -0.008 0.000 1.096 540 G CA -0.485 44.627 45.100 0.020 0.000 0.650 540 G HN 0.172 nan 8.290 nan 0.000 0.512 541 I N 2.852 123.405 120.570 -0.028 0.000 2.578 541 I HA 0.445 4.615 4.170 -0.000 0.000 0.286 541 I C 1.266 177.345 176.117 -0.063 0.000 1.126 541 I CA 0.160 61.419 61.300 -0.069 0.000 1.380 541 I CB 0.043 37.934 38.000 -0.182 0.000 1.408 541 I HN 0.523 nan 8.210 nan 0.000 0.532 542 A N 6.708 129.519 122.820 -0.016 0.000 2.906 542 A HA 0.511 4.831 4.320 -0.000 0.000 0.289 542 A C 0.875 178.475 177.584 0.027 0.000 1.675 542 A CA -0.381 51.653 52.037 -0.005 0.000 1.372 542 A CB -0.606 18.399 19.000 0.007 0.000 1.091 542 A HN 0.838 nan 8.150 nan 0.000 0.579 543 A N 2.585 125.404 122.820 -0.002 0.000 2.354 543 A HA 0.516 4.836 4.320 -0.000 0.000 0.269 543 A C 0.596 178.180 177.584 -0.001 0.000 1.109 543 A CA -0.530 51.528 52.037 0.035 0.000 0.800 543 A CB 0.205 19.192 19.000 -0.022 0.000 1.045 543 A HN 0.903 nan 8.150 nan 0.000 0.489 544 Q N 2.244 122.055 119.800 0.019 0.000 2.368 544 Q HA 0.505 4.845 4.340 -0.000 0.000 0.237 544 Q C -2.569 173.420 176.000 -0.017 0.000 0.987 544 Q CA -1.747 54.059 55.803 0.005 0.000 0.896 544 Q CB 0.509 29.260 28.738 0.023 0.000 1.241 544 Q HN 0.446 nan 8.270 nan 0.000 0.485 545 P HA 0.102 nan 4.420 nan 0.000 0.284 545 P C 0.101 177.417 177.300 0.027 0.000 1.253 545 P CA -0.335 62.756 63.100 -0.015 0.000 0.800 545 P CB 1.071 32.768 31.700 -0.004 0.000 0.961 546 L N 1.386 122.632 121.223 0.038 0.000 2.072 546 L HA 0.024 4.364 4.340 -0.000 0.000 0.205 546 L C 0.889 177.962 176.870 0.340 0.000 1.079 546 L CA 1.681 56.613 54.840 0.155 0.000 0.752 546 L CB -0.367 41.733 42.059 0.068 0.000 0.906 546 L HN 0.434 nan 8.230 nan 0.000 0.436 547 Y N -1.881 118.516 120.300 0.161 0.000 2.764 547 Y HA 0.545 5.095 4.550 -0.000 0.000 0.331 547 Y C -0.429 175.541 175.900 0.117 0.000 1.280 547 Y CA -1.304 56.890 58.100 0.156 0.000 1.065 547 Y CB 0.992 39.591 38.460 0.233 0.000 1.319 547 Y HN -0.146 nan 8.280 nan 0.000 0.453 548 A N 1.354 124.069 122.820 -0.175 0.000 2.555 548 A HA 0.470 4.790 4.320 -0.000 0.000 0.233 548 A C 0.734 178.419 177.584 0.169 0.000 1.060 548 A CA 1.490 53.506 52.037 -0.036 0.000 0.759 548 A CB -1.019 17.903 19.000 -0.131 0.000 0.995 548 A HN 1.885 nan 8.150 nan 0.000 0.506 549 G N -0.226 108.654 108.800 0.133 0.000 2.384 549 G HA2 0.525 4.485 3.960 -0.000 0.000 0.150 549 G HA3 0.525 4.485 3.960 -0.000 0.000 0.150 549 G C -0.748 174.333 174.900 0.303 0.000 1.269 549 G CA 0.436 45.672 45.100 0.226 0.000 1.094 549 G HN 2.490 nan 8.290 nan 0.000 0.467 550 Y N -2.035 118.255 120.300 -0.016 0.000 2.774 550 Y HA 0.754 5.303 4.550 -0.000 0.000 0.346 550 Y C -0.523 175.347 175.900 -0.051 0.000 1.222 550 Y CA -1.655 56.426 58.100 -0.033 0.000 1.088 550 Y CB 0.226 38.669 38.460 -0.028 0.000 1.354 550 Y HN 1.018 nan 8.280 nan 0.000 0.455 551 c N 2.289 120.786 118.600 -0.172 0.000 2.407 551 c HA 0.804 5.374 4.570 -0.000 0.000 0.366 551 c C -0.426 173.487 174.090 -0.295 0.000 1.213 551 c CA -0.045 56.113 56.329 -0.285 0.000 2.011 551 c CB 0.594 43.013 42.510 -0.151 0.000 2.306 551 c HN 1.004 nan 8.230 nan 0.000 0.527 552 N N 0.000 118.543 118.700 -0.262 0.000 1.763 552 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 552 N CA 0.000 52.952 53.050 -0.163 0.000 0.885 552 N CB 0.000 38.455 38.487 -0.053 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667