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 1no7_1_A DATA FIRST_RESID 484 DATA SEQUENCE ANPYGAYVAA PAGPAADMQQ LFLNAWGQRL AHGRVRWVAX XXXXXXXXXX DATA SEQUENCE XXXXXXALEL HPAFDFFVGV ADVELPGGDV PPAGPGEIQA TWRVVNGNLP DATA SEQUENCE LALCPAAFRD ARGLELGVGR HAMAPATIAA VRGAFDDRNY PAVFYLLQAA DATA SEQUENCE IHGSEHVFCA LARLVVQCIT SYWNNTRCAA FVNDYSLVSY VVTYLGGDLP DATA SEQUENCE EECMAVYRDL VAHVEALAQL VDDFTLTGPE LGGQAQAELN HLMRDPALLP DATA SEQUENCE PLVWDCDALM RRAALDRHRD CRVSAGGHDP VYAAACNVAT ADFNRNDGQL DATA SEQUENCE LHNTQARAAD AADDRPHRGA DWTVHHKIYY YVMVPAFSRG RCCTAGVRFD DATA SEQUENCE RVYATLQNMV VPEIAPGEEC PSDPVTDPAH PLHPANLVAN TVNAMFHNGR DATA SEQUENCE VVVDGPAMLT LQVLAHNMAE RTTALLCSAA PDAGANTAXX XNMRIFDGAL DATA SEQUENCE HAGILLMAPQ HLDHTIQNGD YFYPLPVHAL FAGADHVANA PNFPPALRDL DATA SEQUENCE SRQVPLVPPA LGANYFSSIR QPVVQHVRES AAGENALTYA LMAGYFKISP DATA SEQUENCE VALHHQLKTG LH 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 484 A HA 0.000 nan 4.320 nan 0.000 0.244 484 A C 0.000 177.691 177.584 0.178 0.000 1.274 484 A CA 0.000 52.132 52.037 0.158 0.000 0.836 484 A CB 0.000 19.104 19.000 0.174 0.000 0.831 485 N N 1.344 120.196 118.700 0.255 0.000 2.558 485 N HA 0.459 5.199 4.740 -0.001 0.000 0.242 485 N C -1.705 174.060 175.510 0.425 0.000 0.979 485 N CA -1.866 51.374 53.050 0.315 0.000 0.931 485 N CB 1.337 40.032 38.487 0.346 0.000 1.122 485 N HN 0.434 nan 8.380 nan 0.000 0.508 486 P HA -0.140 nan 4.420 nan 0.000 0.244 486 P C 0.863 178.524 177.300 0.602 0.000 1.211 486 P CA 0.334 63.688 63.100 0.423 0.000 0.760 486 P CB -0.050 31.820 31.700 0.282 0.000 0.961 487 Y N 2.046 122.684 120.300 0.564 0.000 1.956 487 Y HA -0.286 4.264 4.550 -0.001 0.000 0.258 487 Y C 2.521 178.500 175.900 0.131 0.000 1.152 487 Y CA 1.538 59.968 58.100 0.551 0.000 1.093 487 Y CB -0.977 37.900 38.460 0.695 0.000 0.945 487 Y HN 0.046 nan 8.280 nan 0.000 0.488 488 G N -0.891 107.629 108.800 -0.467 0.000 2.498 488 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.219 488 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.219 488 G C 1.472 176.051 174.900 -0.535 0.000 1.119 488 G CA 0.742 45.008 45.100 -1.390 0.000 0.766 488 G HN 0.618 nan 8.290 nan 0.000 0.552 489 A N -0.776 122.007 122.820 -0.061 0.000 1.935 489 A HA 0.315 4.634 4.320 -0.001 0.000 0.214 489 A C 1.002 178.778 177.584 0.319 0.000 1.178 489 A CA 0.149 52.277 52.037 0.152 0.000 0.640 489 A CB -0.257 18.914 19.000 0.285 0.000 0.825 489 A HN 0.295 nan 8.150 nan 0.000 0.447 490 Y N -0.430 119.971 120.300 0.169 0.000 2.301 490 Y HA 0.466 5.016 4.550 -0.001 0.000 0.328 490 Y C -0.432 175.420 175.900 -0.078 0.000 1.242 490 Y CA -0.964 57.219 58.100 0.138 0.000 1.323 490 Y CB 1.164 39.869 38.460 0.409 0.000 1.266 490 Y HN -0.073 nan 8.280 nan 0.000 0.527 491 V N 5.370 124.839 119.914 -0.741 0.000 2.509 491 V HA 0.571 4.691 4.120 -0.001 0.000 0.289 491 V C -0.224 175.329 176.094 -0.901 0.000 1.026 491 V CA -0.816 61.049 62.300 -0.723 0.000 0.872 491 V CB 0.900 32.347 31.823 -0.626 0.000 1.017 491 V HN 1.027 nan 8.190 nan 0.000 0.436 492 A N 4.096 126.523 122.820 -0.656 0.000 2.259 492 A HA 0.937 5.257 4.320 -0.001 0.000 0.278 492 A C 0.380 177.742 177.584 -0.370 0.000 1.107 492 A CA 0.221 51.998 52.037 -0.433 0.000 0.828 492 A CB 0.825 19.714 19.000 -0.185 0.000 1.111 492 A HN 1.382 nan 8.150 nan 0.000 0.498 493 A N 0.119 122.797 122.820 -0.237 0.000 2.340 493 A HA 0.715 5.034 4.320 -0.001 0.000 0.331 493 A C -2.618 174.875 177.584 -0.151 0.000 1.140 493 A CA -1.850 50.060 52.037 -0.213 0.000 0.801 493 A CB -0.008 18.893 19.000 -0.165 0.000 1.234 493 A HN 0.587 nan 8.150 nan 0.000 0.469 494 P HA 0.033 nan 4.420 nan 0.000 0.255 494 P C -0.126 177.122 177.300 -0.087 0.000 1.141 494 P CA 1.045 64.080 63.100 -0.108 0.000 0.767 494 P CB 0.341 31.975 31.700 -0.110 0.000 0.726 495 A N 4.450 127.241 122.820 -0.048 0.000 3.245 495 A HA 0.551 4.871 4.320 -0.001 0.000 0.282 495 A C 1.422 179.007 177.584 0.002 0.000 1.417 495 A CA 0.244 52.270 52.037 -0.019 0.000 1.149 495 A CB -0.966 18.039 19.000 0.009 0.000 1.155 495 A HN 0.732 nan 8.150 nan 0.000 0.602 496 G N 2.051 110.846 108.800 -0.009 0.000 2.685 496 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.329 496 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.329 496 G C -1.855 173.080 174.900 0.059 0.000 1.271 496 G CA 0.177 45.299 45.100 0.038 0.000 1.003 496 G HN 0.558 nan 8.290 nan 0.000 0.549 497 P HA 0.211 nan 4.420 nan 0.000 0.212 497 P C 1.006 178.327 177.300 0.035 0.000 0.974 497 P CA 1.074 64.204 63.100 0.049 0.000 1.226 497 P CB -0.274 31.443 31.700 0.027 0.000 1.258 498 A N 4.851 127.721 122.820 0.083 0.000 1.915 498 A HA -0.283 4.037 4.320 -0.001 0.000 0.220 498 A C 2.101 179.698 177.584 0.022 0.000 1.198 498 A CA 2.205 54.322 52.037 0.133 0.000 0.647 498 A CB -1.360 17.798 19.000 0.264 0.000 0.825 498 A HN 0.462 nan 8.150 nan 0.000 0.456 499 A N -1.881 120.771 122.820 -0.280 0.000 2.248 499 A HA -0.010 4.310 4.320 -0.001 0.000 0.210 499 A C 1.566 178.879 177.584 -0.451 0.000 1.174 499 A CA 1.547 52.937 52.037 -1.078 0.000 0.750 499 A CB -0.307 17.916 19.000 -1.296 0.000 0.780 499 A HN 0.523 nan 8.150 nan 0.000 0.478 500 D N -1.802 118.500 120.400 -0.163 0.000 2.514 500 D HA 0.047 4.686 4.640 -0.001 0.000 0.249 500 D C 1.740 178.055 176.300 0.024 0.000 1.036 500 D CA 0.484 54.452 54.000 -0.054 0.000 0.911 500 D CB -0.120 40.669 40.800 -0.019 0.000 1.145 500 D HN 0.367 nan 8.370 nan 0.000 0.495 501 M N 0.973 120.598 119.600 0.042 0.000 3.283 501 M HA -0.352 4.127 4.480 -0.001 0.000 0.272 501 M C 2.006 178.391 176.300 0.143 0.000 1.023 501 M CA 1.916 57.265 55.300 0.082 0.000 1.040 501 M CB -0.142 32.507 32.600 0.083 0.000 1.271 501 M HN -0.114 nan 8.290 nan 0.000 0.549 502 Q N -0.345 119.561 119.800 0.176 0.000 2.242 502 Q HA -0.258 4.082 4.340 -0.001 0.000 0.211 502 Q C 1.939 178.083 176.000 0.240 0.000 0.992 502 Q CA 1.829 57.789 55.803 0.261 0.000 0.889 502 Q CB -0.298 28.585 28.738 0.242 0.000 0.913 502 Q HN 0.626 nan 8.270 nan 0.000 0.422 503 Q N -0.383 119.513 119.800 0.160 0.000 2.089 503 Q HA -0.036 4.304 4.340 -0.001 0.000 0.195 503 Q C 2.077 178.159 176.000 0.137 0.000 0.963 503 Q CA 0.365 56.241 55.803 0.122 0.000 0.834 503 Q CB -0.500 28.286 28.738 0.080 0.000 0.906 503 Q HN 0.322 nan 8.270 nan 0.000 0.452 504 L N 1.001 122.311 121.223 0.145 0.000 2.189 504 L HA -0.175 4.165 4.340 -0.001 0.000 0.214 504 L C 1.953 178.979 176.870 0.261 0.000 1.097 504 L CA 1.541 56.476 54.840 0.159 0.000 0.764 504 L CB -0.743 41.395 42.059 0.131 0.000 0.900 504 L HN 0.148 nan 8.230 nan 0.000 0.436 505 F N 0.432 120.430 119.950 0.079 0.000 2.022 505 F HA -0.119 4.408 4.527 -0.001 0.000 0.293 505 F C 1.943 177.811 175.800 0.114 0.000 1.142 505 F CA 1.702 59.739 58.000 0.061 0.000 1.177 505 F CB -0.994 37.981 39.000 -0.043 0.000 0.982 505 F HN 0.017 nan 8.300 nan 0.000 0.473 506 L N 0.983 122.114 121.223 -0.153 0.000 2.651 506 L HA -0.166 4.174 4.340 -0.001 0.000 0.236 506 L C 0.878 177.711 176.870 -0.062 0.000 1.173 506 L CA 0.638 55.313 54.840 -0.276 0.000 0.843 506 L CB -0.994 40.922 42.059 -0.240 0.000 0.964 506 L HN 0.296 nan 8.230 nan 0.000 0.454 507 N N -0.425 118.314 118.700 0.066 0.000 2.184 507 N HA 0.164 4.904 4.740 -0.001 0.000 0.206 507 N C 1.301 176.869 175.510 0.096 0.000 1.151 507 N CA 0.722 53.806 53.050 0.058 0.000 0.878 507 N CB 1.183 39.704 38.487 0.056 0.000 1.014 507 N HN 0.260 nan 8.380 nan 0.000 0.512 508 A N -1.236 121.709 122.820 0.208 0.000 2.226 508 A HA 0.225 4.545 4.320 -0.001 0.000 0.207 508 A C 0.408 178.039 177.584 0.078 0.000 1.293 508 A CA -0.205 51.928 52.037 0.160 0.000 0.968 508 A CB -0.121 19.029 19.000 0.250 0.000 1.044 508 A HN 0.180 nan 8.150 nan 0.000 0.493 509 W N 0.060 121.381 121.300 0.034 0.000 2.966 509 W HA 0.398 5.058 4.660 -0.001 0.000 0.406 509 W C 1.764 178.230 176.519 -0.088 0.000 1.027 509 W CA -0.250 57.099 57.345 0.007 0.000 1.930 509 W CB -0.130 29.394 29.460 0.107 0.000 1.144 509 W HN 0.272 nan 8.180 nan 0.000 0.626 510 G N 0.512 109.355 108.800 0.073 0.000 2.422 510 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.218 510 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.218 510 G C 1.327 176.232 174.900 0.007 0.000 1.146 510 G CA 0.995 46.085 45.100 -0.017 0.000 0.769 510 G HN 0.290 nan 8.290 nan 0.000 0.547 511 Q N -0.128 119.679 119.800 0.012 0.000 1.984 511 Q HA 0.060 4.399 4.340 -0.001 0.000 0.196 511 Q C 2.762 178.798 176.000 0.060 0.000 0.975 511 Q CA 0.579 56.397 55.803 0.025 0.000 0.827 511 Q CB -0.209 28.521 28.738 -0.013 0.000 0.894 511 Q HN 0.294 nan 8.270 nan 0.000 0.438 512 R N 0.562 121.069 120.500 0.011 0.000 2.178 512 R HA -0.222 4.117 4.340 -0.001 0.000 0.257 512 R C 2.220 178.622 176.300 0.171 0.000 1.163 512 R CA 1.535 57.657 56.100 0.037 0.000 0.981 512 R CB -0.590 29.686 30.300 -0.041 0.000 0.878 512 R HN 0.250 nan 8.270 nan 0.000 0.454 513 L N -0.744 120.582 121.223 0.172 0.000 2.022 513 L HA -0.015 4.325 4.340 -0.001 0.000 0.204 513 L C 2.673 179.625 176.870 0.136 0.000 1.076 513 L CA 1.044 55.985 54.840 0.169 0.000 0.749 513 L CB -0.604 41.508 42.059 0.088 0.000 0.903 513 L HN 0.196 nan 8.230 nan 0.000 0.439 514 A N -1.129 121.745 122.820 0.090 0.000 2.019 514 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 514 A C 2.106 179.740 177.584 0.082 0.000 1.164 514 A CA 1.380 53.454 52.037 0.062 0.000 0.644 514 A CB -0.809 18.206 19.000 0.024 0.000 0.805 514 A HN 0.501 nan 8.150 nan 0.000 0.449 515 H N 0.206 119.296 119.070 0.033 0.000 2.775 515 H HA 0.144 4.700 4.556 -0.001 0.000 0.312 515 H C 1.523 176.881 175.328 0.050 0.000 1.033 515 H CA 1.215 57.282 56.048 0.033 0.000 1.267 515 H CB -0.971 28.807 29.762 0.026 0.000 1.555 515 H HN 0.329 nan 8.280 nan 0.000 0.725 516 G N 0.288 109.419 108.800 0.552 0.000 2.785 516 G HA2 0.132 4.091 3.960 -0.001 0.000 0.256 516 G HA3 0.132 4.091 3.960 -0.001 0.000 0.256 516 G C -0.086 174.930 174.900 0.192 0.000 1.248 516 G CA -0.206 45.114 45.100 0.365 0.000 0.914 516 G HN 0.511 nan 8.290 nan 0.000 0.580 517 R N -1.421 119.171 120.500 0.154 0.000 2.787 517 R HA 0.530 4.869 4.340 -0.001 0.000 0.271 517 R C -0.276 176.082 176.300 0.096 0.000 0.993 517 R CA -0.643 55.511 56.100 0.091 0.000 0.993 517 R CB 1.538 31.871 30.300 0.054 0.000 1.155 517 R HN 0.712 nan 8.270 nan 0.000 0.486 518 V N 2.230 122.123 119.914 -0.035 0.000 2.427 518 V HA 0.549 4.668 4.120 -0.001 0.000 0.286 518 V C 1.120 177.068 176.094 -0.244 0.000 1.034 518 V CA -0.647 61.516 62.300 -0.228 0.000 0.893 518 V CB 1.673 33.043 31.823 -0.755 0.000 0.982 518 V HN 0.859 nan 8.190 nan 0.000 0.452 519 R N 2.650 123.158 120.500 0.012 0.000 2.052 519 R HA -0.010 4.329 4.340 -0.001 0.000 0.224 519 R C 2.064 178.408 176.300 0.073 0.000 1.165 519 R CA 1.979 58.172 56.100 0.155 0.000 0.939 519 R CB -0.362 30.186 30.300 0.413 0.000 0.834 519 R HN 0.983 nan 8.270 nan 0.000 0.435 520 W N 1.017 122.332 121.300 0.025 0.000 2.292 520 W HA -0.143 4.517 4.660 -0.001 0.000 0.304 520 W C 0.501 176.973 176.519 -0.077 0.000 1.228 520 W CA 0.255 57.553 57.345 -0.078 0.000 1.241 520 W CB -0.731 28.514 29.460 -0.360 0.000 1.142 520 W HN -0.194 nan 8.180 nan 0.000 0.520 521 V N 2.702 122.101 119.914 -0.860 0.000 2.242 521 V HA 0.499 4.619 4.120 -0.001 0.000 0.242 521 V C 0.657 176.580 176.094 -0.284 0.000 1.240 521 V CA 0.300 62.242 62.300 -0.597 0.000 1.211 521 V CB -1.635 29.736 31.823 -0.753 0.000 1.338 521 V HN 0.467 nan 8.190 nan 0.000 0.499 541 L N 1.574 122.840 121.223 0.071 0.000 3.094 541 L HA 0.424 4.763 4.340 -0.001 0.000 0.254 541 L C 0.383 177.291 176.870 0.063 0.000 1.298 541 L CA 0.322 55.185 54.840 0.038 0.000 1.050 541 L CB 0.863 42.976 42.059 0.090 0.000 1.420 541 L HN 0.390 nan 8.230 nan 0.000 0.548 542 E N 0.526 120.761 120.200 0.059 0.000 2.346 542 E HA 0.098 4.447 4.350 -0.001 0.000 0.317 542 E C 1.062 177.661 176.600 -0.001 0.000 1.404 542 E CA 0.184 56.643 56.400 0.099 0.000 1.534 542 E CB -0.320 29.433 29.700 0.089 0.000 1.309 542 E HN 0.455 nan 8.360 nan 0.000 0.499 543 L N 0.533 121.633 121.223 -0.204 0.000 2.156 543 L HA 0.074 4.414 4.340 -0.001 0.000 0.208 543 L C 0.736 177.570 176.870 -0.060 0.000 1.095 543 L CA 0.685 55.300 54.840 -0.374 0.000 0.770 543 L CB -0.341 41.120 42.059 -0.997 0.000 0.914 543 L HN 0.384 nan 8.230 nan 0.000 0.439 544 H N -1.811 117.329 119.070 0.117 0.000 3.038 544 H HA 0.253 4.808 4.556 -0.001 0.000 0.362 544 H C -2.237 173.319 175.328 0.379 0.000 1.167 544 H CA -1.351 54.864 56.048 0.279 0.000 1.197 544 H CB 2.179 32.151 29.762 0.349 0.000 1.840 544 H HN -0.339 nan 8.280 nan 0.000 0.540 545 P HA -0.092 nan 4.420 nan 0.000 0.213 545 P C 0.748 178.042 177.300 -0.010 0.000 1.170 545 P CA 2.243 65.250 63.100 -0.154 0.000 0.898 545 P CB -0.041 31.508 31.700 -0.250 0.000 0.787 546 A N -2.590 120.246 122.820 0.026 0.000 2.277 546 A HA 0.009 4.328 4.320 -0.001 0.000 0.208 546 A C 0.261 177.925 177.584 0.133 0.000 1.202 546 A CA 1.065 53.250 52.037 0.247 0.000 0.762 546 A CB -1.317 17.991 19.000 0.513 0.000 0.770 546 A HN 0.099 nan 8.150 nan 0.000 0.487 547 F N -2.138 117.929 119.950 0.194 0.000 2.692 547 F HA 0.500 5.027 4.527 -0.001 0.000 0.320 547 F C -0.651 175.067 175.800 -0.136 0.000 1.123 547 F CA -1.506 56.489 58.000 -0.007 0.000 0.961 547 F CB 1.376 40.250 39.000 -0.209 0.000 1.383 547 F HN -0.157 nan 8.300 nan 0.000 0.483 548 D N 1.029 121.322 120.400 -0.179 0.000 2.593 548 D HA 0.382 5.022 4.640 -0.001 0.000 0.251 548 D C -1.498 174.520 176.300 -0.470 0.000 1.140 548 D CA -0.090 53.840 54.000 -0.117 0.000 0.855 548 D CB 1.526 42.353 40.800 0.044 0.000 1.267 548 D HN 0.117 nan 8.370 nan 0.000 0.532 549 F N 3.758 123.667 119.950 -0.068 0.000 2.427 549 F HA 0.503 5.029 4.527 -0.001 0.000 0.346 549 F C 0.168 175.798 175.800 -0.284 0.000 1.120 549 F CA -0.956 56.886 58.000 -0.264 0.000 1.033 549 F CB 0.753 39.669 39.000 -0.141 0.000 1.126 549 F HN 0.131 nan 8.300 nan 0.000 0.462 550 F N -0.625 119.202 119.950 -0.205 0.000 2.643 550 F HA 0.725 5.251 4.527 -0.001 0.000 0.314 550 F C -1.087 174.675 175.800 -0.063 0.000 1.096 550 F CA -2.004 55.846 58.000 -0.252 0.000 0.953 550 F CB 0.459 38.965 39.000 -0.823 0.000 1.345 550 F HN -0.001 nan 8.300 nan 0.000 0.468 551 V N 2.949 123.042 119.914 0.298 0.000 2.382 551 V HA 0.336 4.455 4.120 -0.001 0.000 0.250 551 V C 1.179 177.501 176.094 0.380 0.000 1.069 551 V CA 0.273 62.724 62.300 0.251 0.000 1.130 551 V CB -1.068 30.901 31.823 0.245 0.000 1.165 551 V HN 1.073 nan 8.190 nan 0.000 0.483 552 G N 3.919 112.878 108.800 0.267 0.000 2.661 552 G HA2 0.288 4.247 3.960 -0.001 0.000 0.272 552 G HA3 0.288 4.247 3.960 -0.001 0.000 0.272 552 G C -0.136 174.945 174.900 0.303 0.000 1.296 552 G CA -0.417 44.904 45.100 0.368 0.000 0.998 552 G HN 0.536 nan 8.290 nan 0.000 0.553 553 V N 0.711 120.808 119.914 0.304 0.000 2.439 553 V HA 0.433 4.552 4.120 -0.001 0.000 0.282 553 V C 1.367 177.567 176.094 0.176 0.000 1.039 553 V CA 0.093 62.527 62.300 0.225 0.000 0.913 553 V CB 0.774 32.762 31.823 0.275 0.000 0.983 553 V HN 1.015 nan 8.190 nan 0.000 0.460 554 A N 3.398 126.289 122.820 0.118 0.000 1.841 554 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 554 A C 1.502 179.139 177.584 0.087 0.000 1.199 554 A CA 2.062 54.156 52.037 0.095 0.000 0.621 554 A CB -0.284 18.756 19.000 0.065 0.000 0.835 554 A HN 0.812 nan 8.150 nan 0.000 0.445 555 D N -1.635 118.815 120.400 0.083 0.000 2.441 555 D HA 0.225 4.864 4.640 -0.001 0.000 0.210 555 D C 0.011 176.370 176.300 0.098 0.000 1.102 555 D CA -0.036 54.010 54.000 0.077 0.000 0.840 555 D CB 0.341 41.174 40.800 0.055 0.000 0.990 555 D HN 0.133 nan 8.370 nan 0.000 0.505 556 V N 1.864 121.854 119.914 0.126 0.000 2.614 556 V HA 0.042 4.162 4.120 -0.001 0.000 0.291 556 V C 0.694 176.894 176.094 0.176 0.000 1.049 556 V CA -0.223 62.175 62.300 0.163 0.000 1.038 556 V CB 1.162 33.124 31.823 0.232 0.000 0.980 556 V HN -0.031 nan 8.190 nan 0.000 0.481 557 E N 4.795 125.085 120.200 0.151 0.000 1.893 557 E HA 0.109 4.459 4.350 -0.001 0.000 0.269 557 E C 0.720 177.410 176.600 0.151 0.000 1.129 557 E CA -0.406 56.078 56.400 0.140 0.000 0.904 557 E CB 0.558 30.321 29.700 0.104 0.000 1.077 557 E HN 0.478 nan 8.360 nan 0.000 0.407 558 L N 4.732 126.071 121.223 0.193 0.000 2.095 558 L HA -0.259 4.081 4.340 -0.001 0.000 0.229 558 L C -0.505 176.376 176.870 0.018 0.000 1.097 558 L CA 2.411 57.343 54.840 0.152 0.000 0.813 558 L CB -1.984 40.223 42.059 0.247 0.000 0.907 558 L HN 0.460 nan 8.230 nan 0.000 0.445 559 P HA -0.169 nan 4.420 nan 0.000 0.220 559 P C 1.002 178.153 177.300 -0.249 0.000 1.155 559 P CA 2.165 65.209 63.100 -0.094 0.000 0.880 559 P CB -0.113 31.626 31.700 0.064 0.000 0.790 560 G N -1.984 106.740 108.800 -0.126 0.000 2.890 560 G HA2 0.554 4.514 3.960 -0.001 0.000 0.189 560 G HA3 0.554 4.514 3.960 -0.001 0.000 0.189 560 G C -0.176 174.679 174.900 -0.075 0.000 1.342 560 G CA -0.077 44.953 45.100 -0.116 0.000 1.026 560 G HN 0.454 nan 8.290 nan 0.000 0.579 561 G N -1.187 107.641 108.800 0.047 0.000 2.999 561 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.686 561 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.686 561 G C 0.119 175.175 174.900 0.260 0.000 1.057 561 G CA 0.313 45.542 45.100 0.216 0.000 0.784 561 G HN 0.487 nan 8.290 nan 0.000 0.575 562 D N -0.578 119.969 120.400 0.246 0.000 2.183 562 D HA 0.122 4.761 4.640 -0.001 0.000 0.205 562 D C 1.300 177.848 176.300 0.413 0.000 0.962 562 D CA 2.036 56.191 54.000 0.259 0.000 0.849 562 D CB 0.403 41.296 40.800 0.155 0.000 0.978 562 D HN 0.542 nan 8.370 nan 0.000 0.488 563 V N 0.448 120.519 119.914 0.263 0.000 2.971 563 V HA 0.290 4.409 4.120 -0.001 0.000 0.309 563 V C -2.644 173.237 176.094 -0.355 0.000 1.130 563 V CA -1.911 60.370 62.300 -0.032 0.000 0.964 563 V CB 1.848 33.544 31.823 -0.211 0.000 1.029 563 V HN -0.205 nan 8.190 nan 0.000 0.427 564 P HA 0.239 nan 4.420 nan 0.000 0.264 564 P C -2.509 174.559 177.300 -0.385 0.000 1.229 564 P CA -0.933 61.675 63.100 -0.820 0.000 0.780 564 P CB -0.159 31.108 31.700 -0.722 0.000 0.808 565 P HA 0.003 nan 4.420 nan 0.000 0.232 565 P C 0.020 177.255 177.300 -0.108 0.000 1.606 565 P CA 0.325 63.352 63.100 -0.123 0.000 1.105 565 P CB -0.617 31.052 31.700 -0.052 0.000 1.919 566 A N 2.141 124.878 122.820 -0.140 0.000 2.591 566 A HA 0.264 4.583 4.320 -0.001 0.000 0.265 566 A C 1.225 178.772 177.584 -0.061 0.000 0.946 566 A CA 1.291 53.263 52.037 -0.108 0.000 0.928 566 A CB -0.631 18.299 19.000 -0.117 0.000 0.816 566 A HN 0.568 nan 8.150 nan 0.000 0.466 567 G N 2.105 110.882 108.800 -0.038 0.000 2.498 567 G HA2 0.491 4.450 3.960 -0.001 0.000 0.181 567 G HA3 0.491 4.450 3.960 -0.001 0.000 0.181 567 G C -2.711 172.192 174.900 0.004 0.000 1.169 567 G CA 0.053 45.144 45.100 -0.015 0.000 0.992 567 G HN 1.005 nan 8.290 nan 0.000 0.490 568 P HA 0.300 nan 4.420 nan 0.000 0.262 568 P C 0.450 177.774 177.300 0.040 0.000 1.455 568 P CA 0.584 63.699 63.100 0.025 0.000 1.217 568 P CB 0.046 31.760 31.700 0.023 0.000 1.625 569 G N 3.398 112.226 108.800 0.047 0.000 2.428 569 G HA2 0.161 4.121 3.960 -0.001 0.000 0.293 569 G HA3 0.161 4.121 3.960 -0.001 0.000 0.293 569 G C 0.380 175.323 174.900 0.072 0.000 1.059 569 G CA -0.450 44.694 45.100 0.073 0.000 1.194 569 G HN 0.649 nan 8.290 nan 0.000 0.435 570 E N 1.999 122.243 120.200 0.074 0.000 2.869 570 E HA 0.492 4.841 4.350 -0.001 0.000 0.258 570 E C -0.276 176.352 176.600 0.048 0.000 1.354 570 E CA -0.978 55.453 56.400 0.052 0.000 1.065 570 E CB 1.227 30.954 29.700 0.045 0.000 1.215 570 E HN 0.342 nan 8.360 nan 0.000 0.659 571 I N 0.841 121.413 120.570 0.003 0.000 2.439 571 I HA 0.207 4.376 4.170 -0.001 0.000 0.283 571 I C -1.057 174.969 176.117 -0.152 0.000 1.023 571 I CA -0.426 60.842 61.300 -0.054 0.000 1.100 571 I CB 1.046 39.029 38.000 -0.028 0.000 1.238 571 I HN 0.596 nan 8.210 nan 0.000 0.445 572 Q N 5.792 125.371 119.800 -0.369 0.000 2.252 572 Q HA 0.884 5.223 4.340 -0.001 0.000 0.256 572 Q C -0.992 174.447 176.000 -0.934 0.000 1.020 572 Q CA -1.136 54.356 55.803 -0.518 0.000 0.913 572 Q CB 2.254 30.756 28.738 -0.393 0.000 1.286 572 Q HN 0.726 nan 8.270 nan 0.000 0.480 573 A N 0.592 122.990 122.820 -0.703 0.000 2.455 573 A HA 0.646 4.965 4.320 -0.001 0.000 0.300 573 A C -1.064 176.276 177.584 -0.406 0.000 1.040 573 A CA -0.518 51.060 52.037 -0.765 0.000 0.697 573 A CB 2.137 20.654 19.000 -0.804 0.000 1.265 573 A HN 0.500 nan 8.150 nan 0.000 0.407 574 T N 0.799 115.178 114.554 -0.292 0.000 2.912 574 T HA 0.501 4.850 4.350 -0.001 0.000 0.288 574 T C -1.352 173.291 174.700 -0.095 0.000 1.030 574 T CA -0.268 61.754 62.100 -0.130 0.000 1.020 574 T CB 0.723 69.477 68.868 -0.189 0.000 1.056 574 T HN 0.864 nan 8.240 nan 0.000 0.480 575 W N 6.528 127.619 121.300 -0.349 0.000 2.497 575 W HA 0.413 5.072 4.660 -0.001 0.000 0.354 575 W C 0.264 176.521 176.519 -0.437 0.000 1.111 575 W CA -1.374 55.566 57.345 -0.675 0.000 1.510 575 W CB -0.516 28.576 29.460 -0.614 0.000 1.466 575 W HN 0.688 nan 8.180 nan 0.000 0.409 576 R N 3.901 123.984 120.500 -0.695 0.000 2.494 576 R HA -0.031 4.308 4.340 -0.001 0.000 0.291 576 R C 0.841 176.395 176.300 -1.245 0.000 0.953 576 R CA 0.096 55.799 56.100 -0.662 0.000 1.098 576 R CB 0.497 30.562 30.300 -0.391 0.000 0.911 576 R HN 0.466 nan 8.270 nan 0.000 0.407 577 V N 4.205 123.494 119.914 -1.043 0.000 2.326 577 V HA -0.073 4.047 4.120 -0.001 0.000 0.238 577 V C 0.840 176.486 176.094 -0.746 0.000 1.038 577 V CA 1.007 62.517 62.300 -1.317 0.000 1.032 577 V CB 0.017 31.355 31.823 -0.808 0.000 0.675 577 V HN 0.620 nan 8.190 nan 0.000 0.467 578 V N 0.605 120.240 119.914 -0.465 0.000 2.904 578 V HA 0.280 4.399 4.120 -0.001 0.000 0.305 578 V C 1.249 177.194 176.094 -0.247 0.000 1.067 578 V CA 0.048 62.166 62.300 -0.303 0.000 1.044 578 V CB 0.554 32.188 31.823 -0.315 0.000 1.050 578 V HN 0.616 nan 8.190 nan 0.000 0.475 579 N N 1.894 120.520 118.700 -0.124 0.000 2.381 579 N HA -0.031 4.709 4.740 -0.001 0.000 0.182 579 N C 1.567 177.020 175.510 -0.094 0.000 1.025 579 N CA 1.520 54.534 53.050 -0.059 0.000 0.888 579 N CB -0.556 37.964 38.487 0.054 0.000 0.965 579 N HN 0.880 nan 8.380 nan 0.000 0.438 580 G N -0.076 108.623 108.800 -0.167 0.000 2.501 580 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.220 580 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.220 580 G C 1.219 176.018 174.900 -0.168 0.000 1.114 580 G CA 0.569 45.551 45.100 -0.197 0.000 0.757 580 G HN 0.537 nan 8.290 nan 0.000 0.559 581 N N -0.463 118.127 118.700 -0.183 0.000 2.515 581 N HA 0.144 4.884 4.740 -0.001 0.000 0.185 581 N C 0.220 175.681 175.510 -0.081 0.000 1.109 581 N CA -0.468 52.493 53.050 -0.148 0.000 0.903 581 N CB 0.076 38.441 38.487 -0.204 0.000 0.969 581 N HN 0.244 nan 8.380 nan 0.000 0.450 582 L N 3.136 124.323 121.223 -0.061 0.000 2.462 582 L HA 0.143 4.483 4.340 -0.001 0.000 0.272 582 L C -1.756 175.116 176.870 0.003 0.000 1.166 582 L CA -1.650 53.180 54.840 -0.017 0.000 0.880 582 L CB -0.001 42.056 42.059 -0.004 0.000 1.142 582 L HN -0.057 nan 8.230 nan 0.000 0.473 583 P HA -0.139 nan 4.420 nan 0.000 0.268 583 P C 0.859 178.173 177.300 0.023 0.000 1.189 583 P CA 0.157 63.280 63.100 0.039 0.000 0.771 583 P CB 0.833 32.574 31.700 0.068 0.000 0.822 584 L N 1.122 122.355 121.223 0.017 0.000 2.353 584 L HA -0.204 4.135 4.340 -0.001 0.000 0.220 584 L C 2.448 179.325 176.870 0.011 0.000 1.133 584 L CA 1.368 56.210 54.840 0.003 0.000 0.798 584 L CB -0.675 41.380 42.059 -0.006 0.000 0.922 584 L HN 0.455 nan 8.230 nan 0.000 0.445 585 A N 0.273 123.104 122.820 0.019 0.000 1.821 585 A HA -0.191 4.129 4.320 -0.001 0.000 0.215 585 A C 1.968 179.557 177.584 0.009 0.000 1.214 585 A CA 1.307 53.353 52.037 0.016 0.000 0.608 585 A CB -0.791 18.224 19.000 0.025 0.000 0.862 585 A HN 0.209 nan 8.150 nan 0.000 0.448 586 L N -1.176 120.054 121.223 0.011 0.000 2.081 586 L HA -0.127 4.213 4.340 -0.001 0.000 0.212 586 L C 1.413 178.280 176.870 -0.005 0.000 1.080 586 L CA 1.175 56.014 54.840 -0.002 0.000 0.754 586 L CB -0.944 41.117 42.059 0.003 0.000 0.893 586 L HN 0.549 nan 8.230 nan 0.000 0.433 587 C N 0.605 119.918 119.300 0.023 0.000 2.437 587 C HA 0.468 4.928 4.460 -0.001 0.000 0.307 587 C C -2.300 172.739 174.990 0.081 0.000 1.093 587 C CA -2.169 56.895 59.018 0.076 0.000 1.463 587 C CB 0.225 28.031 27.740 0.110 0.000 1.926 587 C HN 0.056 nan 8.230 nan 0.000 0.420 588 P HA 0.126 nan 4.420 nan 0.000 0.267 588 P C 0.369 177.683 177.300 0.024 0.000 1.200 588 P CA 0.480 63.615 63.100 0.059 0.000 0.772 588 P CB 0.740 32.485 31.700 0.075 0.000 0.855 589 A N 4.116 126.892 122.820 -0.073 0.000 1.841 589 A HA -0.129 4.191 4.320 -0.001 0.000 0.214 589 A C 2.185 179.679 177.584 -0.151 0.000 1.195 589 A CA 2.098 53.996 52.037 -0.231 0.000 0.611 589 A CB -1.827 17.079 19.000 -0.156 0.000 0.835 589 A HN 0.533 nan 8.150 nan 0.000 0.443 590 A N -0.965 121.832 122.820 -0.039 0.000 2.023 590 A HA -0.219 4.101 4.320 -0.001 0.000 0.223 590 A C 1.997 179.606 177.584 0.042 0.000 1.180 590 A CA 2.229 54.271 52.037 0.007 0.000 0.659 590 A CB -0.833 18.187 19.000 0.032 0.000 0.817 590 A HN 0.929 nan 8.150 nan 0.000 0.466 591 F N 1.688 121.597 119.950 -0.069 0.000 2.037 591 F HA -0.137 4.390 4.527 -0.001 0.000 0.291 591 F C 2.560 178.328 175.800 -0.053 0.000 1.137 591 F CA 1.709 59.677 58.000 -0.052 0.000 1.178 591 F CB -0.753 38.215 39.000 -0.052 0.000 0.995 591 F HN 0.327 nan 8.300 nan 0.000 0.472 592 R N 0.424 120.489 120.500 -0.725 0.000 2.133 592 R HA -0.235 4.105 4.340 -0.001 0.000 0.247 592 R C 1.622 177.699 176.300 -0.371 0.000 1.151 592 R CA 1.999 57.655 56.100 -0.739 0.000 0.971 592 R CB -1.715 28.295 30.300 -0.483 0.000 0.866 592 R HN 0.305 nan 8.270 nan 0.000 0.447 593 D N 1.455 121.727 120.400 -0.214 0.000 2.077 593 D HA -0.082 4.558 4.640 -0.001 0.000 0.193 593 D C 2.130 178.387 176.300 -0.071 0.000 0.989 593 D CA 2.192 56.161 54.000 -0.051 0.000 0.831 593 D CB -0.446 40.352 40.800 -0.003 0.000 0.979 593 D HN 0.340 nan 8.370 nan 0.000 0.449 594 A N 0.629 123.402 122.820 -0.077 0.000 1.927 594 A HA -0.309 4.011 4.320 -0.001 0.000 0.220 594 A C 2.136 179.678 177.584 -0.070 0.000 1.185 594 A CA 2.410 54.427 52.037 -0.034 0.000 0.639 594 A CB -0.709 18.311 19.000 0.034 0.000 0.820 594 A HN 0.187 nan 8.150 nan 0.000 0.451 595 R N -0.709 119.659 120.500 -0.220 0.000 2.097 595 R HA -0.120 4.220 4.340 -0.001 0.000 0.236 595 R C 2.307 178.561 176.300 -0.077 0.000 1.135 595 R CA 2.205 58.177 56.100 -0.213 0.000 0.934 595 R CB -1.045 28.966 30.300 -0.482 0.000 0.846 595 R HN 0.412 nan 8.270 nan 0.000 0.431 596 G N 1.540 110.315 108.800 -0.042 0.000 2.440 596 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.218 596 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.218 596 G C 1.382 176.326 174.900 0.073 0.000 1.154 596 G CA 0.693 45.840 45.100 0.077 0.000 0.767 596 G HN 0.295 nan 8.290 nan 0.000 0.552 597 L N 1.026 122.274 121.223 0.042 0.000 1.990 597 L HA -0.124 4.216 4.340 -0.001 0.000 0.213 597 L C 2.459 179.336 176.870 0.012 0.000 1.072 597 L CA 2.872 57.737 54.840 0.041 0.000 0.755 597 L CB -0.983 41.091 42.059 0.026 0.000 0.889 597 L HN 0.489 nan 8.230 nan 0.000 0.432 598 E N -0.552 119.648 120.200 -0.000 0.000 2.208 598 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 598 E C 2.468 179.048 176.600 -0.034 0.000 0.988 598 E CA 0.552 56.947 56.400 -0.008 0.000 0.828 598 E CB -0.029 29.674 29.700 0.006 0.000 0.763 598 E HN 0.577 nan 8.360 nan 0.000 0.478 599 L N 0.069 121.267 121.223 -0.041 0.000 2.141 599 L HA -0.075 4.265 4.340 -0.001 0.000 0.209 599 L C 2.286 178.971 176.870 -0.308 0.000 1.094 599 L CA 1.116 55.906 54.840 -0.084 0.000 0.763 599 L CB -0.395 41.660 42.059 -0.006 0.000 0.908 599 L HN 0.282 nan 8.230 nan 0.000 0.437 600 G N -0.126 108.496 108.800 -0.296 0.000 2.464 600 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.214 600 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.214 600 G C 0.735 175.481 174.900 -0.258 0.000 1.218 600 G CA 0.598 45.429 45.100 -0.448 0.000 0.794 600 G HN 0.274 nan 8.290 nan 0.000 0.542 601 V N -0.346 119.505 119.914 -0.104 0.000 2.800 601 V HA 0.318 4.437 4.120 -0.001 0.000 0.299 601 V C 1.349 177.400 176.094 -0.073 0.000 1.151 601 V CA 0.542 62.807 62.300 -0.057 0.000 1.297 601 V CB -0.397 31.409 31.823 -0.029 0.000 0.835 601 V HN 1.908 nan 8.190 nan 0.000 0.484 602 G N 3.558 112.331 108.800 -0.046 0.000 2.175 602 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.244 602 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.244 602 G C 0.191 175.064 174.900 -0.045 0.000 0.982 602 G CA 0.305 45.382 45.100 -0.038 0.000 0.641 602 G HN 1.064 nan 8.290 nan 0.000 0.527 603 R N -0.978 119.484 120.500 -0.064 0.000 2.912 603 R HA 0.607 4.946 4.340 -0.001 0.000 0.262 603 R C 0.274 176.651 176.300 0.127 0.000 1.057 603 R CA -0.961 55.130 56.100 -0.015 0.000 0.981 603 R CB 0.697 30.886 30.300 -0.185 0.000 1.201 603 R HN 0.317 nan 8.270 nan 0.000 0.484 604 H N 0.321 119.473 119.070 0.136 0.000 3.144 604 H HA 0.103 4.658 4.556 -0.001 0.000 0.336 604 H C -0.983 174.520 175.328 0.291 0.000 1.065 604 H CA 1.312 57.468 56.048 0.180 0.000 1.338 604 H CB 0.509 30.345 29.762 0.123 0.000 1.251 604 H HN 0.645 nan 8.280 nan 0.000 0.602 605 A N 5.874 128.387 122.820 -0.512 0.000 2.667 605 A HA 0.249 4.568 4.320 -0.001 0.000 0.291 605 A C -0.327 177.124 177.584 -0.223 0.000 1.123 605 A CA -0.757 51.199 52.037 -0.136 0.000 0.832 605 A CB 0.189 19.187 19.000 -0.005 0.000 1.396 605 A HN 0.738 nan 8.150 nan 0.000 0.401 606 M N 1.977 121.542 119.600 -0.058 0.000 2.323 606 M HA 0.044 4.524 4.480 -0.001 0.000 0.386 606 M C 1.086 177.392 176.300 0.011 0.000 1.525 606 M CA 0.706 56.023 55.300 0.029 0.000 0.914 606 M CB 0.189 32.806 32.600 0.030 0.000 2.042 606 M HN 0.858 nan 8.290 nan 0.000 0.483 607 A N 6.164 129.001 122.820 0.027 0.000 2.406 607 A HA 0.260 4.579 4.320 -0.001 0.000 0.243 607 A C -1.472 176.140 177.584 0.046 0.000 1.082 607 A CA -1.275 50.780 52.037 0.031 0.000 0.786 607 A CB -0.318 18.707 19.000 0.042 0.000 1.029 607 A HN 0.633 nan 8.150 nan 0.000 0.495 608 P HA -0.311 nan 4.420 nan 0.000 0.217 608 P C 1.705 179.037 177.300 0.053 0.000 1.162 608 P CA 2.880 66.005 63.100 0.042 0.000 0.901 608 P CB -0.016 31.704 31.700 0.034 0.000 0.793 609 A N -0.373 122.484 122.820 0.061 0.000 1.849 609 A HA -0.309 4.011 4.320 -0.001 0.000 0.216 609 A C 2.322 179.958 177.584 0.086 0.000 1.225 609 A CA 3.750 55.836 52.037 0.081 0.000 0.653 609 A CB -2.190 16.877 19.000 0.112 0.000 0.844 609 A HN 0.376 nan 8.150 nan 0.000 0.453 610 T N -0.745 113.864 114.554 0.093 0.000 2.755 610 T HA -0.250 4.100 4.350 -0.001 0.000 0.266 610 T C 1.731 176.459 174.700 0.048 0.000 1.041 610 T CA 1.942 64.086 62.100 0.073 0.000 1.147 610 T CB -0.872 68.043 68.868 0.078 0.000 0.847 610 T HN 0.426 nan 8.240 nan 0.000 0.478 611 I N 1.848 122.471 120.570 0.089 0.000 2.162 611 I HA -0.017 4.153 4.170 -0.001 0.000 0.238 611 I C 3.241 179.410 176.117 0.086 0.000 1.076 611 I CA 1.068 62.461 61.300 0.155 0.000 1.353 611 I CB -0.824 37.275 38.000 0.164 0.000 1.063 611 I HN 0.292 nan 8.210 nan 0.000 0.408 612 A N 1.007 123.863 122.820 0.059 0.000 1.948 612 A HA -0.249 4.070 4.320 -0.001 0.000 0.220 612 A C 2.509 180.091 177.584 -0.004 0.000 1.177 612 A CA 2.234 54.288 52.037 0.027 0.000 0.636 612 A CB -0.955 18.050 19.000 0.008 0.000 0.815 612 A HN 0.480 nan 8.150 nan 0.000 0.449 613 A N -0.586 122.232 122.820 -0.003 0.000 1.841 613 A HA -0.049 4.271 4.320 -0.001 0.000 0.216 613 A C 2.239 179.797 177.584 -0.043 0.000 1.199 613 A CA 2.067 54.099 52.037 -0.009 0.000 0.621 613 A CB -1.191 17.869 19.000 0.099 0.000 0.835 613 A HN 0.514 nan 8.150 nan 0.000 0.445 614 V N 0.173 120.010 119.914 -0.129 0.000 2.343 614 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 614 V C 2.634 178.655 176.094 -0.121 0.000 1.051 614 V CA 2.272 64.417 62.300 -0.258 0.000 1.036 614 V CB -0.941 30.486 31.823 -0.659 0.000 0.654 614 V HN 0.621 nan 8.190 nan 0.000 0.451 615 R N 0.384 120.843 120.500 -0.068 0.000 2.096 615 R HA -0.164 4.176 4.340 -0.001 0.000 0.229 615 R C 2.475 178.848 176.300 0.122 0.000 1.134 615 R CA 2.071 58.245 56.100 0.123 0.000 0.917 615 R CB -1.136 29.257 30.300 0.156 0.000 0.832 615 R HN 0.490 nan 8.270 nan 0.000 0.430 616 G N 0.210 109.042 108.800 0.054 0.000 2.679 616 G HA2 -0.424 3.536 3.960 -0.001 0.000 0.222 616 G HA3 -0.424 3.536 3.960 -0.001 0.000 0.222 616 G C 1.528 176.464 174.900 0.061 0.000 1.164 616 G CA 1.711 46.834 45.100 0.038 0.000 0.769 616 G HN 0.604 nan 8.290 nan 0.000 0.610 617 A N 0.380 123.224 122.820 0.039 0.000 1.869 617 A HA -0.035 4.284 4.320 -0.001 0.000 0.218 617 A C 2.266 179.747 177.584 -0.171 0.000 1.203 617 A CA 1.956 53.988 52.037 -0.009 0.000 0.638 617 A CB -0.769 18.142 19.000 -0.149 0.000 0.831 617 A HN 0.386 nan 8.150 nan 0.000 0.450 618 F N 0.347 120.212 119.950 -0.141 0.000 2.216 618 F HA -0.163 4.364 4.527 -0.001 0.000 0.300 618 F C 1.712 177.477 175.800 -0.059 0.000 1.085 618 F CA 1.619 59.540 58.000 -0.132 0.000 1.326 618 F CB -0.040 38.904 39.000 -0.094 0.000 1.027 618 F HN 0.253 nan 8.300 nan 0.000 0.497 619 D N -0.854 119.642 120.400 0.161 0.000 2.349 619 D HA -0.058 4.581 4.640 -0.001 0.000 0.215 619 D C 0.262 176.614 176.300 0.087 0.000 1.016 619 D CA 0.409 54.474 54.000 0.109 0.000 0.870 619 D CB -0.412 40.439 40.800 0.085 0.000 0.917 619 D HN 0.175 nan 8.370 nan 0.000 0.524 620 D N 1.499 121.951 120.400 0.087 0.000 2.346 620 D HA -0.011 4.628 4.640 -0.001 0.000 0.260 620 D C 1.323 177.697 176.300 0.122 0.000 1.252 620 D CA -0.168 53.901 54.000 0.116 0.000 0.895 620 D CB 0.693 41.616 40.800 0.205 0.000 1.097 620 D HN -0.099 nan 8.370 nan 0.000 0.489 621 R N 3.234 123.799 120.500 0.107 0.000 2.275 621 R HA 0.049 4.389 4.340 -0.001 0.000 0.199 621 R C 0.162 176.533 176.300 0.118 0.000 0.989 621 R CA 0.191 56.358 56.100 0.111 0.000 1.016 621 R CB -0.186 30.172 30.300 0.097 0.000 0.918 621 R HN 0.371 nan 8.270 nan 0.000 0.473 622 N N 0.655 119.419 118.700 0.107 0.000 2.238 622 N HA -0.037 4.702 4.740 -0.001 0.000 0.222 622 N C -0.481 175.051 175.510 0.037 0.000 1.133 622 N CA -0.269 52.820 53.050 0.064 0.000 0.854 622 N CB 0.103 38.610 38.487 0.033 0.000 1.041 622 N HN 0.163 nan 8.380 nan 0.000 0.510 623 Y N 5.149 125.407 120.300 -0.070 0.000 2.804 623 Y HA -0.012 4.537 4.550 -0.001 0.000 0.338 623 Y C -1.708 173.956 175.900 -0.393 0.000 1.252 623 Y CA -1.518 56.441 58.100 -0.236 0.000 1.576 623 Y CB 0.212 38.558 38.460 -0.189 0.000 1.223 623 Y HN 0.073 nan 8.280 nan 0.000 0.536 624 P HA -0.168 nan 4.420 nan 0.000 0.252 624 P C 0.121 176.863 177.300 -0.929 0.000 1.147 624 P CA 1.031 63.461 63.100 -1.117 0.000 0.779 624 P CB 0.588 31.221 31.700 -1.780 0.000 0.733 625 A N 5.205 127.790 122.820 -0.392 0.000 1.892 625 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 625 A C 2.236 179.750 177.584 -0.116 0.000 1.188 625 A CA 2.150 54.142 52.037 -0.074 0.000 0.631 625 A CB -1.501 17.440 19.000 -0.099 0.000 0.822 625 A HN 0.383 nan 8.150 nan 0.000 0.447 626 V N -0.397 119.320 119.914 -0.329 0.000 2.257 626 V HA -0.405 3.714 4.120 -0.001 0.000 0.257 626 V C 2.354 178.429 176.094 -0.033 0.000 1.077 626 V CA 2.631 64.746 62.300 -0.308 0.000 1.063 626 V CB -1.369 30.090 31.823 -0.607 0.000 0.664 626 V HN 0.550 nan 8.190 nan 0.000 0.450 627 F N -0.485 119.215 119.950 -0.418 0.000 2.115 627 F HA -0.220 4.307 4.527 -0.001 0.000 0.300 627 F C 2.346 178.065 175.800 -0.135 0.000 1.092 627 F CA 1.449 59.181 58.000 -0.446 0.000 1.245 627 F CB -1.619 36.705 39.000 -1.126 0.000 0.995 627 F HN 0.213 nan 8.300 nan 0.000 0.481 628 Y N -0.281 120.109 120.300 0.149 0.000 2.114 628 Y HA -0.210 4.340 4.550 -0.001 0.000 0.284 628 Y C 2.355 178.449 175.900 0.322 0.000 1.143 628 Y CA 1.093 59.302 58.100 0.182 0.000 1.135 628 Y CB -1.042 37.464 38.460 0.077 0.000 0.980 628 Y HN -0.096 nan 8.280 nan 0.000 0.499 629 L N -0.421 121.047 121.223 0.409 0.000 2.043 629 L HA -0.259 4.081 4.340 -0.001 0.000 0.212 629 L C 2.337 179.308 176.870 0.168 0.000 1.075 629 L CA 1.519 56.456 54.840 0.161 0.000 0.752 629 L CB -1.303 40.670 42.059 -0.143 0.000 0.891 629 L HN 0.244 nan 8.230 nan 0.000 0.432 630 L N -0.784 120.553 121.223 0.189 0.000 1.970 630 L HA -0.289 4.050 4.340 -0.001 0.000 0.212 630 L C 2.825 179.834 176.870 0.233 0.000 1.071 630 L CA 1.843 56.809 54.840 0.211 0.000 0.751 630 L CB -0.585 41.633 42.059 0.266 0.000 0.889 630 L HN 0.487 nan 8.230 nan 0.000 0.432 631 Q N -0.016 119.978 119.800 0.323 0.000 2.112 631 Q HA -0.276 4.064 4.340 -0.001 0.000 0.206 631 Q C 2.153 178.304 176.000 0.251 0.000 0.987 631 Q CA 2.114 58.096 55.803 0.298 0.000 0.858 631 Q CB -0.114 28.849 28.738 0.376 0.000 0.905 631 Q HN 0.521 nan 8.270 nan 0.000 0.420 632 A N 1.040 124.036 122.820 0.294 0.000 1.865 632 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 632 A C 2.370 180.050 177.584 0.160 0.000 1.191 632 A CA 2.151 54.345 52.037 0.261 0.000 0.623 632 A CB -1.223 17.873 19.000 0.161 0.000 0.826 632 A HN 0.624 nan 8.150 nan 0.000 0.444 633 A N -0.085 122.812 122.820 0.128 0.000 1.902 633 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 633 A C 1.478 179.219 177.584 0.261 0.000 1.181 633 A CA 1.360 53.526 52.037 0.215 0.000 0.623 633 A CB -0.654 18.519 19.000 0.289 0.000 0.818 633 A HN 0.541 nan 8.150 nan 0.000 0.443 634 I N 2.150 122.828 120.570 0.180 0.000 3.078 634 I HA -0.002 4.168 4.170 -0.001 0.000 0.296 634 I C 0.405 176.493 176.117 -0.048 0.000 1.195 634 I CA -0.326 61.055 61.300 0.134 0.000 1.542 634 I CB -0.585 37.471 38.000 0.094 0.000 1.414 634 I HN 0.422 nan 8.210 nan 0.000 0.598 635 H N 1.575 120.408 119.070 -0.394 0.000 5.342 635 H HA 0.020 4.575 4.556 -0.001 0.000 0.143 635 H C 1.240 175.740 175.328 -1.381 0.000 0.761 635 H CA 0.213 55.546 56.048 -1.192 0.000 1.312 635 H CB -1.211 28.069 29.762 -0.803 0.000 1.472 635 H HN 0.699 nan 8.280 nan 0.000 0.987 636 G N 0.102 108.252 108.800 -1.083 0.000 2.284 636 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.261 636 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.261 636 G C 0.553 175.339 174.900 -0.190 0.000 0.997 636 G CA 0.496 45.297 45.100 -0.497 0.000 0.621 636 G HN 0.826 nan 8.290 nan 0.000 0.534 637 S N 0.549 115.948 115.700 -0.503 0.000 2.515 637 S HA 0.294 4.764 4.470 -0.001 0.000 0.285 637 S C 1.373 175.908 174.600 -0.108 0.000 1.265 637 S CA 0.983 58.977 58.200 -0.343 0.000 1.079 637 S CB 0.990 63.905 63.200 -0.474 0.000 0.877 637 S HN 0.534 nan 8.310 nan 0.000 0.493 638 E N 3.385 123.499 120.200 -0.143 0.000 2.046 638 E HA -0.181 4.168 4.350 -0.001 0.000 0.190 638 E C 1.603 178.099 176.600 -0.174 0.000 0.982 638 E CA 1.134 57.296 56.400 -0.397 0.000 0.800 638 E CB -0.228 29.263 29.700 -0.349 0.000 0.756 638 E HN 0.962 nan 8.360 nan 0.000 0.449 639 H N 0.211 119.159 119.070 -0.202 0.000 2.289 639 H HA -0.154 4.402 4.556 -0.001 0.000 0.294 639 H C 1.860 177.113 175.328 -0.125 0.000 1.095 639 H CA 2.362 58.314 56.048 -0.160 0.000 1.256 639 H CB -0.465 29.211 29.762 -0.143 0.000 1.359 639 H HN 0.071 nan 8.280 nan 0.000 0.487 640 V N 0.256 120.082 119.914 -0.147 0.000 2.427 640 V HA -0.174 3.945 4.120 -0.001 0.000 0.248 640 V C 2.363 178.372 176.094 -0.141 0.000 1.051 640 V CA 1.616 63.812 62.300 -0.172 0.000 1.048 640 V CB -0.955 30.870 31.823 0.002 0.000 0.666 640 V HN 0.417 nan 8.190 nan 0.000 0.456 641 F N 0.621 120.438 119.950 -0.221 0.000 2.161 641 F HA -0.255 4.272 4.527 -0.001 0.000 0.300 641 F C 2.375 178.037 175.800 -0.229 0.000 1.089 641 F CA 1.782 59.655 58.000 -0.212 0.000 1.282 641 F CB -0.586 38.248 39.000 -0.277 0.000 1.010 641 F HN 0.140 nan 8.300 nan 0.000 0.485 642 C N 0.350 119.500 119.300 -0.249 0.000 2.429 642 C HA -0.065 4.395 4.460 -0.001 0.000 0.277 642 C C 3.103 177.860 174.990 -0.387 0.000 1.262 642 C CA 0.955 59.751 59.018 -0.369 0.000 1.733 642 C CB -1.815 25.724 27.740 -0.336 0.000 2.010 642 C HN 0.673 nan 8.230 nan 0.000 0.483 643 A N 0.956 123.565 122.820 -0.352 0.000 1.829 643 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 643 A C 1.644 179.060 177.584 -0.279 0.000 1.207 643 A CA 1.633 53.493 52.037 -0.295 0.000 0.622 643 A CB -0.930 17.908 19.000 -0.271 0.000 0.846 643 A HN 0.461 nan 8.150 nan 0.000 0.447 644 L N 0.540 121.601 121.223 -0.270 0.000 2.721 644 L HA -0.036 4.304 4.340 -0.001 0.000 0.241 644 L C 2.581 179.227 176.870 -0.375 0.000 1.168 644 L CA 0.917 55.606 54.840 -0.250 0.000 0.866 644 L CB -1.312 40.639 42.059 -0.179 0.000 0.996 644 L HN 0.440 nan 8.230 nan 0.000 0.451 645 A N 0.235 122.757 122.820 -0.498 0.000 1.915 645 A HA -0.320 3.999 4.320 -0.001 0.000 0.220 645 A C 2.574 179.945 177.584 -0.355 0.000 1.198 645 A CA 2.255 53.941 52.037 -0.585 0.000 0.647 645 A CB -0.558 18.153 19.000 -0.482 0.000 0.825 645 A HN 0.481 nan 8.150 nan 0.000 0.456 646 R N -0.822 119.531 120.500 -0.246 0.000 2.082 646 R HA -0.177 4.162 4.340 -0.001 0.000 0.234 646 R C 2.165 178.387 176.300 -0.130 0.000 1.136 646 R CA 1.956 57.959 56.100 -0.161 0.000 0.935 646 R CB -0.623 29.600 30.300 -0.130 0.000 0.842 646 R HN 0.459 nan 8.270 nan 0.000 0.430 647 L N 1.105 122.254 121.223 -0.122 0.000 1.997 647 L HA -0.203 4.136 4.340 -0.001 0.000 0.216 647 L C 2.272 179.119 176.870 -0.039 0.000 1.074 647 L CA 1.773 56.581 54.840 -0.054 0.000 0.763 647 L CB -0.878 41.163 42.059 -0.029 0.000 0.890 647 L HN 0.093 nan 8.230 nan 0.000 0.434 648 V N -0.805 119.021 119.914 -0.145 0.000 2.233 648 V HA -0.338 3.781 4.120 -0.001 0.000 0.247 648 V C 2.587 178.629 176.094 -0.086 0.000 1.050 648 V CA 1.899 64.101 62.300 -0.163 0.000 1.010 648 V CB -0.642 30.953 31.823 -0.381 0.000 0.637 648 V HN 0.413 nan 8.190 nan 0.000 0.444 649 V N -0.128 119.714 119.914 -0.120 0.000 2.363 649 V HA -0.383 3.736 4.120 -0.001 0.000 0.254 649 V C 2.466 178.561 176.094 0.001 0.000 1.074 649 V CA 2.260 64.520 62.300 -0.067 0.000 1.069 649 V CB -0.951 30.824 31.823 -0.079 0.000 0.659 649 V HN 0.633 nan 8.190 nan 0.000 0.455 650 Q N -0.774 119.038 119.800 0.019 0.000 1.990 650 Q HA -0.204 4.135 4.340 -0.001 0.000 0.200 650 Q C 2.509 178.599 176.000 0.149 0.000 0.980 650 Q CA 2.177 58.027 55.803 0.079 0.000 0.832 650 Q CB -0.603 28.182 28.738 0.078 0.000 0.897 650 Q HN 0.698 nan 8.270 nan 0.000 0.427 651 C N 1.111 120.509 119.300 0.163 0.000 2.367 651 C HA -0.191 4.269 4.460 -0.001 0.000 0.276 651 C C 2.734 177.844 174.990 0.200 0.000 1.195 651 C CA 0.675 59.809 59.018 0.194 0.000 1.756 651 C CB -1.280 26.425 27.740 -0.059 0.000 2.046 651 C HN 0.446 nan 8.230 nan 0.000 0.453 652 I N 1.141 121.793 120.570 0.137 0.000 2.118 652 I HA -0.251 3.919 4.170 -0.001 0.000 0.241 652 I C 2.557 178.865 176.117 0.319 0.000 1.070 652 I CA 2.233 63.675 61.300 0.237 0.000 1.327 652 I CB -1.137 36.946 38.000 0.138 0.000 1.034 652 I HN 0.431 nan 8.210 nan 0.000 0.405 653 T N -0.315 114.366 114.554 0.212 0.000 2.708 653 T HA -0.210 4.139 4.350 -0.001 0.000 0.266 653 T C 2.048 176.926 174.700 0.297 0.000 1.037 653 T CA 1.665 63.901 62.100 0.227 0.000 1.146 653 T CB -0.446 68.500 68.868 0.129 0.000 0.865 653 T HN 0.377 nan 8.240 nan 0.000 0.435 654 S N 0.462 116.322 115.700 0.267 0.000 2.392 654 S HA -0.251 4.218 4.470 -0.001 0.000 0.225 654 S C 1.866 176.652 174.600 0.311 0.000 1.041 654 S CA 1.714 60.072 58.200 0.265 0.000 1.100 654 S CB -0.855 62.517 63.200 0.286 0.000 1.029 654 S HN 0.507 nan 8.310 nan 0.000 0.424 655 Y N 1.665 122.121 120.300 0.260 0.000 2.114 655 Y HA -0.196 4.353 4.550 -0.001 0.000 0.282 655 Y C 2.315 178.334 175.900 0.197 0.000 1.165 655 Y CA 2.116 60.351 58.100 0.226 0.000 1.148 655 Y CB -1.008 37.674 38.460 0.370 0.000 0.972 655 Y HN 0.620 nan 8.280 nan 0.000 0.504 656 W N 1.626 122.977 121.300 0.086 0.000 2.321 656 W HA -0.285 4.374 4.660 -0.001 0.000 0.306 656 W C 1.575 178.059 176.519 -0.057 0.000 1.217 656 W CA 2.224 59.556 57.345 -0.022 0.000 1.257 656 W CB -0.647 28.864 29.460 0.085 0.000 1.145 656 W HN 0.223 nan 8.180 nan 0.000 0.509 657 N N 0.636 119.407 118.700 0.119 0.000 2.244 657 N HA -0.172 4.567 4.740 -0.001 0.000 0.183 657 N C 1.230 176.667 175.510 -0.122 0.000 1.016 657 N CA 1.693 54.751 53.050 0.013 0.000 0.866 657 N CB -0.813 37.753 38.487 0.132 0.000 0.980 657 N HN 0.499 nan 8.380 nan 0.000 0.430 658 N N -0.260 118.367 118.700 -0.123 0.000 2.216 658 N HA -0.054 4.685 4.740 -0.001 0.000 0.183 658 N C -0.164 175.191 175.510 -0.258 0.000 1.017 658 N CA 0.985 53.948 53.050 -0.145 0.000 0.861 658 N CB 0.253 38.693 38.487 -0.078 0.000 0.986 658 N HN 0.175 nan 8.380 nan 0.000 0.428 659 T N -1.430 112.861 114.554 -0.439 0.000 3.798 659 T HA 0.246 4.595 4.350 -0.001 0.000 0.339 659 T C -0.823 173.465 174.700 -0.686 0.000 0.967 659 T CA -0.858 60.949 62.100 -0.489 0.000 1.046 659 T CB 0.920 69.523 68.868 -0.443 0.000 1.092 659 T HN 0.019 nan 8.240 nan 0.000 0.465 660 R N 1.596 121.636 120.500 -0.766 0.000 3.346 660 R HA 0.291 4.631 4.340 -0.001 0.000 0.279 660 R C -0.420 175.479 176.300 -0.669 0.000 1.205 660 R CA -0.112 55.271 56.100 -1.194 0.000 0.957 660 R CB -1.316 28.381 30.300 -1.005 0.000 1.058 660 R HN 0.655 nan 8.270 nan 0.000 0.460 661 C N 1.357 120.400 119.300 -0.429 0.000 2.608 661 C HA 0.451 4.911 4.460 -0.001 0.000 0.325 661 C C 0.641 175.828 174.990 0.329 0.000 1.147 661 C CA -1.409 57.578 59.018 -0.051 0.000 1.359 661 C CB 1.521 29.195 27.740 -0.111 0.000 1.912 661 C HN 0.805 nan 8.230 nan 0.000 0.466 662 A N 2.164 125.142 122.820 0.262 0.000 2.548 662 A HA 0.470 4.790 4.320 -0.001 0.000 0.247 662 A C 1.269 179.104 177.584 0.418 0.000 1.067 662 A CA 0.727 52.887 52.037 0.204 0.000 0.757 662 A CB 0.077 18.884 19.000 -0.322 0.000 0.996 662 A HN 1.507 nan 8.150 nan 0.000 0.504 663 A N 2.809 126.022 122.820 0.656 0.000 1.841 663 A HA 0.025 4.345 4.320 -0.001 0.000 0.216 663 A C 0.859 178.483 177.584 0.066 0.000 1.199 663 A CA 1.653 53.922 52.037 0.388 0.000 0.621 663 A CB -0.504 18.686 19.000 0.315 0.000 0.835 663 A HN 0.887 nan 8.150 nan 0.000 0.445 664 F N -0.193 119.875 119.950 0.196 0.000 2.923 664 F HA 0.229 4.755 4.527 -0.001 0.000 0.314 664 F C 1.590 177.358 175.800 -0.054 0.000 1.196 664 F CA -0.315 57.712 58.000 0.045 0.000 1.320 664 F CB -0.098 38.899 39.000 -0.006 0.000 0.953 664 F HN 0.109 nan 8.300 nan 0.000 0.505 665 V N -0.845 119.056 119.914 -0.021 0.000 2.794 665 V HA -0.296 3.823 4.120 -0.001 0.000 0.260 665 V C 2.006 178.044 176.094 -0.094 0.000 1.103 665 V CA 2.176 64.409 62.300 -0.111 0.000 1.125 665 V CB -0.737 30.931 31.823 -0.258 0.000 0.702 665 V HN 0.668 nan 8.190 nan 0.000 0.494 666 N N 0.320 118.866 118.700 -0.256 0.000 2.515 666 N HA -0.065 4.675 4.740 -0.001 0.000 0.191 666 N C 0.012 175.511 175.510 -0.018 0.000 1.182 666 N CA 0.877 53.818 53.050 -0.182 0.000 0.879 666 N CB -0.056 38.235 38.487 -0.328 0.000 0.984 666 N HN 0.730 nan 8.380 nan 0.000 0.453 667 D N -0.395 120.013 120.400 0.014 0.000 2.763 667 D HA 0.022 4.662 4.640 -0.001 0.000 0.235 667 D C -0.216 175.990 176.300 -0.158 0.000 1.334 667 D CA -0.669 53.376 54.000 0.075 0.000 0.950 667 D CB 0.791 41.702 40.800 0.186 0.000 1.433 667 D HN -0.154 nan 8.370 nan 0.000 0.580 668 Y N 2.921 122.970 120.300 -0.419 0.000 2.145 668 Y HA -0.197 4.353 4.550 -0.001 0.000 0.286 668 Y C 2.234 177.709 175.900 -0.709 0.000 1.145 668 Y CA 1.884 59.468 58.100 -0.861 0.000 1.148 668 Y CB -0.168 37.578 38.460 -1.191 0.000 0.981 668 Y HN 0.388 nan 8.280 nan 0.000 0.507 669 S N 0.436 115.831 115.700 -0.509 0.000 2.381 669 S HA -0.267 4.203 4.470 -0.001 0.000 0.230 669 S C 2.072 176.030 174.600 -1.071 0.000 1.052 669 S CA 1.873 59.766 58.200 -0.512 0.000 1.068 669 S CB -0.740 62.482 63.200 0.038 0.000 0.918 669 S HN 0.421 nan 8.310 nan 0.000 0.448 670 L N 0.805 121.646 121.223 -0.637 0.000 1.961 670 L HA -0.086 4.253 4.340 -0.001 0.000 0.210 670 L C 2.390 178.869 176.870 -0.652 0.000 1.072 670 L CA 1.143 55.608 54.840 -0.624 0.000 0.749 670 L CB -1.274 40.602 42.059 -0.304 0.000 0.889 670 L HN 0.182 nan 8.230 nan 0.000 0.432 671 V N -0.156 119.480 119.914 -0.463 0.000 2.363 671 V HA -0.381 3.739 4.120 -0.001 0.000 0.254 671 V C 2.833 178.589 176.094 -0.563 0.000 1.074 671 V CA 2.154 64.245 62.300 -0.347 0.000 1.069 671 V CB -0.681 30.880 31.823 -0.438 0.000 0.659 671 V HN 0.476 nan 8.190 nan 0.000 0.455 672 S N -1.475 113.671 115.700 -0.924 0.000 2.351 672 S HA -0.226 4.243 4.470 -0.001 0.000 0.220 672 S C 1.838 176.148 174.600 -0.482 0.000 1.035 672 S CA 2.129 59.862 58.200 -0.778 0.000 1.031 672 S CB -0.435 62.315 63.200 -0.750 0.000 0.928 672 S HN 0.676 nan 8.310 nan 0.000 0.433 673 Y N 1.053 121.000 120.300 -0.589 0.000 2.030 673 Y HA -0.172 4.377 4.550 -0.001 0.000 0.274 673 Y C 2.548 178.103 175.900 -0.574 0.000 1.153 673 Y CA 0.921 58.540 58.100 -0.802 0.000 1.115 673 Y CB -0.896 36.664 38.460 -1.500 0.000 0.969 673 Y HN 0.075 nan 8.280 nan 0.000 0.488 674 V N -0.338 119.359 119.914 -0.361 0.000 2.736 674 V HA -0.302 3.817 4.120 -0.001 0.000 0.262 674 V C 1.834 177.819 176.094 -0.181 0.000 1.114 674 V CA 1.551 63.717 62.300 -0.224 0.000 1.133 674 V CB -0.860 30.668 31.823 -0.492 0.000 0.703 674 V HN 0.312 nan 8.190 nan 0.000 0.495 675 V N -1.265 118.543 119.914 -0.177 0.000 2.581 675 V HA -0.117 4.003 4.120 -0.001 0.000 0.240 675 V C 2.394 178.410 176.094 -0.131 0.000 1.054 675 V CA 1.961 64.193 62.300 -0.112 0.000 1.076 675 V CB -0.131 31.629 31.823 -0.106 0.000 0.748 675 V HN 0.559 nan 8.190 nan 0.000 0.474 676 T N 0.517 114.928 114.554 -0.237 0.000 2.665 676 T HA -0.219 4.130 4.350 -0.001 0.000 0.268 676 T C 1.398 175.970 174.700 -0.213 0.000 1.035 676 T CA 2.558 64.459 62.100 -0.331 0.000 1.151 676 T CB -0.295 68.151 68.868 -0.703 0.000 0.862 676 T HN 0.699 nan 8.240 nan 0.000 0.438 677 Y N -0.922 119.393 120.300 0.024 0.000 2.471 677 Y HA 0.492 5.042 4.550 -0.001 0.000 0.249 677 Y C 0.784 176.689 175.900 0.009 0.000 1.116 677 Y CA -0.436 57.681 58.100 0.028 0.000 1.240 677 Y CB 0.346 38.840 38.460 0.057 0.000 1.251 677 Y HN -0.017 nan 8.280 nan 0.000 0.527 678 L N 1.447 122.768 121.223 0.163 0.000 2.828 678 L HA 0.417 4.757 4.340 -0.001 0.000 0.233 678 L C 1.428 178.303 176.870 0.007 0.000 1.250 678 L CA -0.285 54.591 54.840 0.060 0.000 1.125 678 L CB 0.170 42.242 42.059 0.021 0.000 1.432 678 L HN 0.397 nan 8.230 nan 0.000 0.444 679 G N 1.184 109.999 108.800 0.025 0.000 2.806 679 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.214 679 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.214 679 G C 1.175 176.064 174.900 -0.018 0.000 1.331 679 G CA 0.787 45.889 45.100 0.003 0.000 0.807 679 G HN 0.588 nan 8.290 nan 0.000 0.644 680 G N -0.466 108.324 108.800 -0.017 0.000 3.424 680 G HA2 0.364 4.323 3.960 -0.001 0.000 0.263 680 G HA3 0.364 4.323 3.960 -0.001 0.000 0.263 680 G C 0.445 175.325 174.900 -0.033 0.000 1.310 680 G CA 0.373 45.458 45.100 -0.025 0.000 1.089 680 G HN 0.311 nan 8.290 nan 0.000 0.534 681 D N -0.256 120.120 120.400 -0.040 0.000 2.355 681 D HA 0.145 4.785 4.640 -0.001 0.000 0.206 681 D C 0.590 176.853 176.300 -0.061 0.000 1.010 681 D CA 0.212 54.184 54.000 -0.047 0.000 0.875 681 D CB 0.702 41.473 40.800 -0.048 0.000 0.966 681 D HN 0.193 nan 8.370 nan 0.000 0.512 682 L N 0.572 121.743 121.223 -0.086 0.000 2.330 682 L HA 0.461 4.800 4.340 -0.001 0.000 0.271 682 L C -2.218 174.563 176.870 -0.149 0.000 1.013 682 L CA -2.065 52.699 54.840 -0.126 0.000 0.816 682 L CB 0.830 42.783 42.059 -0.177 0.000 1.287 682 L HN -0.306 nan 8.230 nan 0.000 0.435 683 P HA -0.044 nan 4.420 nan 0.000 0.266 683 P C 0.333 177.506 177.300 -0.211 0.000 1.186 683 P CA 0.013 63.006 63.100 -0.178 0.000 0.767 683 P CB 0.669 32.236 31.700 -0.221 0.000 0.820 684 E N 2.967 123.099 120.200 -0.112 0.000 2.007 684 E HA -0.275 4.075 4.350 -0.001 0.000 0.203 684 E C 1.361 177.887 176.600 -0.122 0.000 1.020 684 E CA 2.095 58.444 56.400 -0.086 0.000 0.845 684 E CB -0.818 28.866 29.700 -0.027 0.000 0.779 684 E HN 0.508 nan 8.360 nan 0.000 0.466 685 E N -0.463 119.698 120.200 -0.066 0.000 2.236 685 E HA -0.293 4.056 4.350 -0.001 0.000 0.205 685 E C 2.357 178.817 176.600 -0.234 0.000 1.028 685 E CA 1.273 57.670 56.400 -0.005 0.000 0.827 685 E CB -0.485 29.337 29.700 0.203 0.000 0.735 685 E HN 0.468 nan 8.360 nan 0.000 0.470 686 C N 0.121 118.994 119.300 -0.713 0.000 2.522 686 C HA 0.033 4.493 4.460 -0.001 0.000 0.280 686 C C 2.635 177.373 174.990 -0.420 0.000 1.303 686 C CA 0.580 58.833 59.018 -1.275 0.000 1.709 686 C CB -0.505 26.047 27.740 -1.981 0.000 2.071 686 C HN 0.428 nan 8.230 nan 0.000 0.492 687 M N 2.402 121.850 119.600 -0.255 0.000 2.149 687 M HA 0.049 4.529 4.480 -0.001 0.000 0.261 687 M C 2.144 178.454 176.300 0.016 0.000 1.064 687 M CA 2.112 57.373 55.300 -0.065 0.000 1.102 687 M CB -0.937 31.619 32.600 -0.074 0.000 1.369 687 M HN 0.474 nan 8.290 nan 0.000 0.408 688 A N -0.385 122.418 122.820 -0.030 0.000 1.873 688 A HA -0.247 4.073 4.320 -0.001 0.000 0.219 688 A C 2.152 179.770 177.584 0.056 0.000 1.269 688 A CA 2.910 54.960 52.037 0.022 0.000 0.671 688 A CB -1.626 17.388 19.000 0.024 0.000 0.842 688 A HN 0.403 nan 8.150 nan 0.000 0.460 689 V N -1.434 118.506 119.914 0.043 0.000 2.223 689 V HA -0.403 3.717 4.120 -0.001 0.000 0.253 689 V C 2.341 178.426 176.094 -0.016 0.000 1.061 689 V CA 2.685 64.998 62.300 0.021 0.000 1.035 689 V CB -1.335 30.490 31.823 0.003 0.000 0.653 689 V HN 0.673 nan 8.190 nan 0.000 0.454 690 Y N 0.417 120.715 120.300 -0.002 0.000 2.173 690 Y HA -0.318 4.232 4.550 -0.001 0.000 0.282 690 Y C 2.629 178.516 175.900 -0.020 0.000 1.192 690 Y CA 2.322 60.409 58.100 -0.021 0.000 1.176 690 Y CB -0.460 37.967 38.460 -0.055 0.000 0.969 690 Y HN 0.217 nan 8.280 nan 0.000 0.519 691 R N -0.465 120.114 120.500 0.132 0.000 2.064 691 R HA -0.161 4.178 4.340 -0.001 0.000 0.228 691 R C 1.947 178.304 176.300 0.094 0.000 1.144 691 R CA 1.451 57.601 56.100 0.083 0.000 0.932 691 R CB -0.693 29.648 30.300 0.069 0.000 0.833 691 R HN 0.177 nan 8.270 nan 0.000 0.429 692 D N 0.808 121.281 120.400 0.121 0.000 2.157 692 D HA -0.210 4.430 4.640 -0.001 0.000 0.191 692 D C 1.773 178.192 176.300 0.197 0.000 1.004 692 D CA 1.194 55.310 54.000 0.194 0.000 0.854 692 D CB -0.134 40.773 40.800 0.179 0.000 0.936 692 D HN -0.015 nan 8.370 nan 0.000 0.446 693 L N -0.079 121.225 121.223 0.136 0.000 1.956 693 L HA -0.232 4.107 4.340 -0.001 0.000 0.216 693 L C 2.667 179.662 176.870 0.208 0.000 1.073 693 L CA 1.487 56.430 54.840 0.171 0.000 0.762 693 L CB -0.659 41.464 42.059 0.108 0.000 0.889 693 L HN -0.000 nan 8.230 nan 0.000 0.433 694 V N -0.426 119.576 119.914 0.148 0.000 2.392 694 V HA -0.311 3.809 4.120 -0.001 0.000 0.249 694 V C 2.654 178.784 176.094 0.060 0.000 1.059 694 V CA 1.537 63.927 62.300 0.150 0.000 1.051 694 V CB -1.468 30.384 31.823 0.049 0.000 0.658 694 V HN 0.589 nan 8.190 nan 0.000 0.455 695 A N -0.667 122.147 122.820 -0.011 0.000 2.024 695 A HA -0.299 4.021 4.320 -0.001 0.000 0.220 695 A C 2.071 179.308 177.584 -0.578 0.000 1.164 695 A CA 2.408 54.333 52.037 -0.188 0.000 0.643 695 A CB -0.689 18.269 19.000 -0.069 0.000 0.806 695 A HN 0.741 nan 8.150 nan 0.000 0.451 696 H N -0.944 117.796 119.070 -0.550 0.000 2.276 696 H HA 0.015 4.571 4.556 -0.001 0.000 0.307 696 H C 1.862 177.094 175.328 -0.160 0.000 1.061 696 H CA 1.783 57.578 56.048 -0.423 0.000 1.336 696 H CB -0.231 29.542 29.762 0.018 0.000 1.396 696 H HN 0.059 nan 8.280 nan 0.000 0.503 697 V N 1.268 121.246 119.914 0.108 0.000 2.636 697 V HA -0.270 3.850 4.120 -0.001 0.000 0.258 697 V C 1.897 178.019 176.094 0.046 0.000 1.092 697 V CA 2.196 64.535 62.300 0.066 0.000 1.110 697 V CB -0.474 31.431 31.823 0.137 0.000 0.685 697 V HN 0.530 nan 8.190 nan 0.000 0.481 698 E N -0.242 119.967 120.200 0.015 0.000 2.112 698 E HA -0.079 4.270 4.350 -0.001 0.000 0.190 698 E C 2.359 178.934 176.600 -0.041 0.000 0.979 698 E CA 1.073 57.498 56.400 0.041 0.000 0.814 698 E CB -0.219 29.483 29.700 0.004 0.000 0.762 698 E HN 0.635 nan 8.360 nan 0.000 0.460 699 A N 1.327 124.071 122.820 -0.128 0.000 1.872 699 A HA -0.103 4.216 4.320 -0.001 0.000 0.214 699 A C 2.183 179.718 177.584 -0.081 0.000 1.187 699 A CA 0.766 52.754 52.037 -0.083 0.000 0.614 699 A CB -0.637 18.343 19.000 -0.034 0.000 0.826 699 A HN 0.114 nan 8.150 nan 0.000 0.442 700 L N -0.566 120.553 121.223 -0.172 0.000 2.129 700 L HA -0.249 4.091 4.340 -0.001 0.000 0.212 700 L C 2.996 179.760 176.870 -0.177 0.000 1.087 700 L CA 1.043 55.789 54.840 -0.156 0.000 0.757 700 L CB -0.619 41.306 42.059 -0.224 0.000 0.896 700 L HN 0.461 nan 8.230 nan 0.000 0.434 701 A N -0.378 122.332 122.820 -0.185 0.000 1.872 701 A HA -0.244 4.076 4.320 -0.001 0.000 0.214 701 A C 2.242 179.712 177.584 -0.189 0.000 1.187 701 A CA 1.517 53.408 52.037 -0.243 0.000 0.614 701 A CB -0.476 18.369 19.000 -0.258 0.000 0.826 701 A HN 0.356 nan 8.150 nan 0.000 0.442 702 Q N -0.561 119.167 119.800 -0.121 0.000 2.181 702 Q HA -0.149 4.190 4.340 -0.001 0.000 0.205 702 Q C 1.748 177.661 176.000 -0.144 0.000 0.980 702 Q CA 1.487 57.227 55.803 -0.105 0.000 0.862 702 Q CB -0.622 28.073 28.738 -0.071 0.000 0.905 702 Q HN 0.478 nan 8.270 nan 0.000 0.429 703 L N -0.820 120.317 121.223 -0.145 0.000 2.021 703 L HA -0.204 4.135 4.340 -0.001 0.000 0.215 703 L C 2.170 178.954 176.870 -0.142 0.000 1.074 703 L CA 1.582 56.320 54.840 -0.171 0.000 0.760 703 L CB -0.889 41.151 42.059 -0.032 0.000 0.889 703 L HN 0.160 nan 8.230 nan 0.000 0.433 704 V N -0.194 119.615 119.914 -0.175 0.000 2.233 704 V HA -0.353 3.766 4.120 -0.001 0.000 0.247 704 V C 2.187 178.285 176.094 0.007 0.000 1.050 704 V CA 2.212 64.439 62.300 -0.122 0.000 1.010 704 V CB -0.755 30.855 31.823 -0.356 0.000 0.637 704 V HN 0.500 nan 8.190 nan 0.000 0.444 705 D N -0.284 120.075 120.400 -0.068 0.000 2.265 705 D HA -0.170 4.470 4.640 -0.001 0.000 0.208 705 D C 1.713 177.993 176.300 -0.034 0.000 0.977 705 D CA 1.216 55.196 54.000 -0.035 0.000 0.871 705 D CB -0.296 40.476 40.800 -0.047 0.000 0.925 705 D HN 0.451 nan 8.370 nan 0.000 0.485 706 D N -0.616 119.697 120.400 -0.144 0.000 2.264 706 D HA -0.046 4.593 4.640 -0.001 0.000 0.208 706 D C 0.598 176.797 176.300 -0.168 0.000 0.966 706 D CA 0.514 54.339 54.000 -0.291 0.000 0.864 706 D CB -0.017 40.404 40.800 -0.631 0.000 0.933 706 D HN 0.335 nan 8.370 nan 0.000 0.499 707 F N -0.145 119.876 119.950 0.119 0.000 2.790 707 F HA 0.237 4.763 4.527 -0.001 0.000 0.371 707 F C 0.134 176.012 175.800 0.129 0.000 1.293 707 F CA -0.497 57.559 58.000 0.094 0.000 1.205 707 F CB 0.955 39.971 39.000 0.027 0.000 1.047 707 F HN -0.380 nan 8.300 nan 0.000 0.510 708 T N 1.341 116.040 114.554 0.241 0.000 2.906 708 T HA 0.576 4.926 4.350 -0.001 0.000 0.295 708 T C -0.526 174.267 174.700 0.154 0.000 1.061 708 T CA -0.543 61.602 62.100 0.075 0.000 1.000 708 T CB 2.612 71.454 68.868 -0.043 0.000 1.103 708 T HN -0.021 nan 8.240 nan 0.000 0.486 709 L N 2.315 123.719 121.223 0.302 0.000 2.309 709 L HA 0.461 4.800 4.340 -0.001 0.000 0.282 709 L C 0.803 177.786 176.870 0.188 0.000 1.036 709 L CA -0.996 54.006 54.840 0.271 0.000 0.806 709 L CB 1.386 43.601 42.059 0.260 0.000 1.220 709 L HN 0.775 nan 8.230 nan 0.000 0.429 710 T N -0.161 114.464 114.554 0.119 0.000 2.978 710 T HA 0.510 4.860 4.350 -0.001 0.000 0.278 710 T C 0.408 175.165 174.700 0.095 0.000 0.945 710 T CA -0.272 61.883 62.100 0.090 0.000 1.070 710 T CB 0.516 69.423 68.868 0.065 0.000 0.948 710 T HN 0.822 nan 8.240 nan 0.000 0.617 711 G N 3.580 112.446 108.800 0.111 0.000 3.100 711 G HA2 0.695 4.655 3.960 -0.001 0.000 0.174 711 G HA3 0.695 4.655 3.960 -0.001 0.000 0.174 711 G C -2.341 172.614 174.900 0.091 0.000 1.136 711 G CA -0.974 44.187 45.100 0.101 0.000 0.881 711 G HN 0.575 nan 8.290 nan 0.000 0.616 712 P HA 0.363 nan 4.420 nan 0.000 0.288 712 P C -0.920 176.432 177.300 0.086 0.000 1.291 712 P CA -0.319 62.829 63.100 0.080 0.000 0.766 712 P CB 0.607 32.352 31.700 0.075 0.000 1.242 713 E N 0.263 120.507 120.200 0.075 0.000 2.437 713 E HA 0.268 4.618 4.350 -0.001 0.000 0.238 713 E C -1.081 175.565 176.600 0.076 0.000 0.969 713 E CA -0.410 56.036 56.400 0.075 0.000 0.759 713 E CB 0.113 29.852 29.700 0.064 0.000 1.283 713 E HN 0.317 nan 8.360 nan 0.000 0.416 714 L N 3.742 125.017 121.223 0.086 0.000 2.410 714 L HA 0.319 4.658 4.340 -0.001 0.000 0.273 714 L C 0.984 177.899 176.870 0.075 0.000 1.144 714 L CA 1.011 55.895 54.840 0.073 0.000 0.863 714 L CB 0.379 42.487 42.059 0.082 0.000 1.140 714 L HN 0.917 nan 8.230 nan 0.000 0.463 715 G N 3.392 112.230 108.800 0.063 0.000 2.341 715 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.292 715 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.292 715 G C 0.930 175.959 174.900 0.216 0.000 1.021 715 G CA 0.565 45.738 45.100 0.122 0.000 0.905 715 G HN 1.691 nan 8.290 nan 0.000 0.508 716 G N -1.862 107.019 108.800 0.135 0.000 2.186 716 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.266 716 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.266 716 G C 0.225 175.183 174.900 0.098 0.000 0.982 716 G CA 1.278 46.443 45.100 0.107 0.000 0.670 716 G HN 1.242 nan 8.290 nan 0.000 0.533 717 Q N -0.180 119.686 119.800 0.110 0.000 2.325 717 Q HA 0.664 5.004 4.340 -0.001 0.000 0.270 717 Q C 0.455 176.505 176.000 0.083 0.000 1.020 717 Q CA -0.255 55.606 55.803 0.096 0.000 0.785 717 Q CB 1.951 30.761 28.738 0.119 0.000 1.259 717 Q HN 0.696 nan 8.270 nan 0.000 0.452 718 A N 2.154 125.013 122.820 0.065 0.000 2.567 718 A HA -0.119 4.200 4.320 -0.001 0.000 0.236 718 A C 1.115 178.732 177.584 0.055 0.000 1.088 718 A CA 0.173 52.244 52.037 0.056 0.000 0.776 718 A CB 0.352 19.376 19.000 0.040 0.000 1.033 718 A HN 0.808 nan 8.150 nan 0.000 0.513 719 Q N 0.702 120.530 119.800 0.046 0.000 2.030 719 Q HA -0.234 4.105 4.340 -0.001 0.000 0.204 719 Q C 2.570 178.539 176.000 -0.052 0.000 0.986 719 Q CA 2.254 58.063 55.803 0.010 0.000 0.843 719 Q CB -1.112 27.607 28.738 -0.031 0.000 0.904 719 Q HN 0.959 nan 8.270 nan 0.000 0.420 720 A N 1.246 124.034 122.820 -0.055 0.000 1.997 720 A HA -0.265 4.054 4.320 -0.001 0.000 0.221 720 A C 1.941 179.542 177.584 0.029 0.000 1.172 720 A CA 1.966 53.987 52.037 -0.026 0.000 0.645 720 A CB -0.600 18.383 19.000 -0.029 0.000 0.813 720 A HN 0.493 nan 8.150 nan 0.000 0.454 721 E N -0.718 119.505 120.200 0.038 0.000 2.268 721 E HA -0.070 4.279 4.350 -0.001 0.000 0.195 721 E C 1.656 178.312 176.600 0.092 0.000 0.995 721 E CA 0.920 57.358 56.400 0.063 0.000 0.836 721 E CB -0.154 29.585 29.700 0.064 0.000 0.763 721 E HN 0.698 nan 8.360 nan 0.000 0.491 722 L N 0.021 121.301 121.223 0.096 0.000 2.408 722 L HA 0.054 4.394 4.340 -0.001 0.000 0.215 722 L C 2.053 179.021 176.870 0.162 0.000 1.081 722 L CA 0.302 55.223 54.840 0.134 0.000 0.840 722 L CB 0.007 42.151 42.059 0.142 0.000 1.002 722 L HN 0.060 nan 8.230 nan 0.000 0.468 723 N N -0.672 118.106 118.700 0.130 0.000 2.424 723 N HA -0.088 4.652 4.740 -0.001 0.000 0.178 723 N C 0.131 175.819 175.510 0.295 0.000 1.060 723 N CA 0.583 53.757 53.050 0.206 0.000 0.901 723 N CB 0.249 38.773 38.487 0.060 0.000 0.979 723 N HN 0.357 nan 8.380 nan 0.000 0.451 724 H N -1.573 117.530 119.070 0.055 0.000 2.996 724 H HA 0.246 4.802 4.556 -0.001 0.000 0.368 724 H C 0.184 175.471 175.328 -0.069 0.000 1.185 724 H CA -0.775 55.220 56.048 -0.088 0.000 1.160 724 H CB 1.004 30.576 29.762 -0.317 0.000 1.820 724 H HN -0.069 nan 8.280 nan 0.000 0.547 725 L N 2.715 123.879 121.223 -0.098 0.000 2.023 725 L HA -0.080 4.259 4.340 -0.001 0.000 0.205 725 L C 1.590 178.529 176.870 0.114 0.000 1.073 725 L CA 1.594 56.446 54.840 0.020 0.000 0.745 725 L CB -0.449 41.578 42.059 -0.053 0.000 0.900 725 L HN 0.757 nan 8.230 nan 0.000 0.435 726 M N -0.244 119.496 119.600 0.234 0.000 2.073 726 M HA -0.198 4.281 4.480 -0.001 0.000 0.258 726 M C 2.049 178.334 176.300 -0.025 0.000 1.070 726 M CA 1.553 56.859 55.300 0.011 0.000 1.103 726 M CB -1.420 31.092 32.600 -0.146 0.000 1.321 726 M HN 0.234 nan 8.290 nan 0.000 0.405 727 R N 0.748 121.219 120.500 -0.048 0.000 2.369 727 R HA -0.020 4.320 4.340 -0.001 0.000 0.200 727 R C -0.145 176.159 176.300 0.005 0.000 1.046 727 R CA 0.266 56.330 56.100 -0.061 0.000 1.057 727 R CB -1.062 29.182 30.300 -0.092 0.000 0.888 727 R HN 0.352 nan 8.270 nan 0.000 0.474 728 D N 1.565 121.986 120.400 0.035 0.000 2.380 728 D HA 0.096 4.736 4.640 -0.001 0.000 0.230 728 D C -1.392 174.935 176.300 0.046 0.000 1.154 728 D CA -2.465 51.565 54.000 0.049 0.000 0.859 728 D CB 1.249 42.086 40.800 0.061 0.000 1.045 728 D HN -0.102 nan 8.370 nan 0.000 0.495 729 P HA -0.169 nan 4.420 nan 0.000 0.227 729 P C 0.716 178.048 177.300 0.053 0.000 1.145 729 P CA 0.562 63.690 63.100 0.046 0.000 0.769 729 P CB 0.226 31.952 31.700 0.045 0.000 0.769 730 A N -0.554 122.302 122.820 0.060 0.000 2.072 730 A HA 0.077 4.396 4.320 -0.001 0.000 0.216 730 A C 1.286 178.911 177.584 0.068 0.000 1.156 730 A CA 0.169 52.245 52.037 0.066 0.000 0.701 730 A CB -0.489 18.557 19.000 0.078 0.000 0.816 730 A HN 0.251 nan 8.150 nan 0.000 0.458 731 L N 1.987 123.247 121.223 0.062 0.000 2.280 731 L HA 0.502 4.842 4.340 -0.001 0.000 0.287 731 L C -1.204 175.720 176.870 0.091 0.000 1.023 731 L CA -1.115 53.767 54.840 0.070 0.000 0.819 731 L CB 1.305 43.386 42.059 0.037 0.000 1.212 731 L HN 0.371 nan 8.230 nan 0.000 0.420 732 L N 5.540 126.823 121.223 0.100 0.000 2.325 732 L HA 0.709 5.048 4.340 -0.001 0.000 0.279 732 L C -2.313 174.627 176.870 0.118 0.000 1.054 732 L CA -1.924 52.965 54.840 0.083 0.000 0.804 732 L CB -0.073 42.021 42.059 0.058 0.000 1.200 732 L HN 0.362 nan 8.230 nan 0.000 0.436 733 P HA 0.041 nan 4.420 nan 0.000 0.269 733 P C -2.126 175.106 177.300 -0.112 0.000 1.211 733 P CA -0.872 62.185 63.100 -0.071 0.000 0.781 733 P CB -0.027 31.527 31.700 -0.242 0.000 0.877 734 P HA -0.105 nan 4.420 nan 0.000 0.215 734 P C 0.365 177.568 177.300 -0.161 0.000 1.157 734 P CA 1.626 64.689 63.100 -0.063 0.000 0.874 734 P CB 0.226 31.933 31.700 0.012 0.000 0.790 735 L N 0.112 121.105 121.223 -0.384 0.000 2.325 735 L HA 0.390 4.730 4.340 -0.001 0.000 0.281 735 L C -0.556 176.053 176.870 -0.436 0.000 1.004 735 L CA -0.963 53.621 54.840 -0.426 0.000 0.823 735 L CB 2.453 44.219 42.059 -0.490 0.000 1.236 735 L HN -0.329 nan 8.230 nan 0.000 0.415 736 V N 1.549 121.276 119.914 -0.311 0.000 2.409 736 V HA 0.193 4.313 4.120 -0.001 0.000 0.290 736 V C -0.018 175.999 176.094 -0.128 0.000 1.017 736 V CA -0.529 61.684 62.300 -0.146 0.000 0.841 736 V CB 1.291 33.133 31.823 0.031 0.000 1.003 736 V HN 0.823 nan 8.190 nan 0.000 0.426 737 W N 1.713 123.012 121.300 -0.002 0.000 2.408 737 W HA -0.036 4.623 4.660 -0.001 0.000 0.311 737 W C 1.407 177.912 176.519 -0.024 0.000 1.190 737 W CA 0.991 58.299 57.345 -0.062 0.000 1.321 737 W CB 0.257 29.744 29.460 0.045 0.000 1.143 737 W HN 0.796 nan 8.180 nan 0.000 0.501 738 D N -1.910 118.717 120.400 0.378 0.000 2.481 738 D HA 0.118 4.757 4.640 -0.001 0.000 0.283 738 D C -0.118 176.404 176.300 0.370 0.000 1.192 738 D CA -0.250 53.984 54.000 0.390 0.000 1.100 738 D CB 0.148 41.157 40.800 0.348 0.000 1.166 738 D HN -0.180 nan 8.370 nan 0.000 0.584 739 C N -0.436 119.074 119.300 0.351 0.000 2.969 739 C HA 0.339 4.799 4.460 -0.001 0.000 0.260 739 C C 0.761 175.608 174.990 -0.237 0.000 1.618 739 C CA -0.430 58.488 59.018 -0.167 0.000 1.774 739 C CB -1.216 26.013 27.740 -0.851 0.000 3.063 739 C HN 0.438 nan 8.230 nan 0.000 0.506 740 D N 2.267 122.684 120.400 0.028 0.000 2.077 740 D HA -0.064 4.575 4.640 -0.001 0.000 0.197 740 D C 2.285 178.589 176.300 0.007 0.000 0.983 740 D CA 1.798 55.813 54.000 0.026 0.000 0.841 740 D CB -0.286 40.590 40.800 0.127 0.000 0.992 740 D HN 0.382 nan 8.370 nan 0.000 0.450 741 A N 0.399 123.246 122.820 0.044 0.000 1.997 741 A HA -0.202 4.117 4.320 -0.001 0.000 0.221 741 A C 2.246 179.842 177.584 0.020 0.000 1.172 741 A CA 1.279 53.337 52.037 0.035 0.000 0.645 741 A CB -0.929 18.089 19.000 0.031 0.000 0.813 741 A HN 0.308 nan 8.150 nan 0.000 0.454 742 L N -1.930 119.289 121.223 -0.007 0.000 2.156 742 L HA -0.070 4.270 4.340 -0.001 0.000 0.208 742 L C 2.660 179.548 176.870 0.030 0.000 1.095 742 L CA 1.029 55.869 54.840 0.000 0.000 0.770 742 L CB -0.145 41.891 42.059 -0.039 0.000 0.914 742 L HN 0.465 nan 8.230 nan 0.000 0.439 743 M N -0.941 118.648 119.600 -0.020 0.000 2.073 743 M HA -0.178 4.302 4.480 -0.001 0.000 0.259 743 M C 2.333 178.659 176.300 0.042 0.000 1.079 743 M CA 1.715 57.043 55.300 0.046 0.000 1.131 743 M CB -0.197 32.385 32.600 -0.030 0.000 1.316 743 M HN 0.036 nan 8.290 nan 0.000 0.415 744 R N -0.472 120.042 120.500 0.023 0.000 2.133 744 R HA -0.198 4.141 4.340 -0.001 0.000 0.247 744 R C 2.347 178.667 176.300 0.033 0.000 1.151 744 R CA 1.341 57.458 56.100 0.029 0.000 0.971 744 R CB -0.579 29.740 30.300 0.033 0.000 0.866 744 R HN 0.336 nan 8.270 nan 0.000 0.447 745 R N 0.917 121.440 120.500 0.038 0.000 2.088 745 R HA -0.101 4.239 4.340 -0.001 0.000 0.232 745 R C 2.154 178.475 176.300 0.036 0.000 1.136 745 R CA 1.863 57.988 56.100 0.041 0.000 0.926 745 R CB -0.593 29.736 30.300 0.049 0.000 0.837 745 R HN 0.291 nan 8.270 nan 0.000 0.429 746 A N 0.467 123.313 122.820 0.044 0.000 2.194 746 A HA -0.072 4.248 4.320 -0.001 0.000 0.220 746 A C 1.407 179.000 177.584 0.015 0.000 1.162 746 A CA 1.532 53.588 52.037 0.033 0.000 0.674 746 A CB -0.360 18.666 19.000 0.044 0.000 0.789 746 A HN 0.448 nan 8.150 nan 0.000 0.470 747 A N -0.065 122.766 122.820 0.017 0.000 3.258 747 A HA 0.609 4.928 4.320 -0.001 0.000 0.275 747 A C -0.038 177.544 177.584 -0.003 0.000 1.452 747 A CA -0.238 51.803 52.037 0.006 0.000 1.120 747 A CB -0.479 18.530 19.000 0.014 0.000 1.107 747 A HN 0.362 nan 8.150 nan 0.000 0.651 748 L N 0.119 121.330 121.223 -0.020 0.000 2.370 748 L HA 0.350 4.689 4.340 -0.001 0.000 0.266 748 L C -0.600 176.201 176.870 -0.116 0.000 1.002 748 L CA -1.182 53.628 54.840 -0.049 0.000 0.818 748 L CB 1.819 43.861 42.059 -0.029 0.000 1.325 748 L HN 0.295 nan 8.230 nan 0.000 0.418 749 D N 1.602 121.874 120.400 -0.212 0.000 2.515 749 D HA -0.057 4.582 4.640 -0.001 0.000 0.232 749 D C 1.026 177.109 176.300 -0.361 0.000 1.157 749 D CA 0.336 54.131 54.000 -0.341 0.000 0.871 749 D CB 0.955 41.390 40.800 -0.609 0.000 1.200 749 D HN 0.490 nan 8.370 nan 0.000 0.466 750 R N 0.826 121.203 120.500 -0.204 0.000 2.119 750 R HA -0.217 4.122 4.340 -0.001 0.000 0.246 750 R C 1.509 177.766 176.300 -0.072 0.000 1.146 750 R CA 1.468 57.511 56.100 -0.096 0.000 0.962 750 R CB -0.669 29.616 30.300 -0.026 0.000 0.863 750 R HN 0.623 nan 8.270 nan 0.000 0.442 751 H N -0.273 118.812 119.070 0.024 0.000 2.996 751 H HA 0.120 4.676 4.556 -0.001 0.000 0.285 751 H C 1.276 176.621 175.328 0.028 0.000 1.092 751 H CA 0.408 56.469 56.048 0.022 0.000 1.221 751 H CB -0.132 29.641 29.762 0.018 0.000 1.277 751 H HN -0.011 nan 8.280 nan 0.000 0.668 752 R N -0.157 120.386 120.500 0.071 0.000 2.756 752 R HA 0.126 4.466 4.340 -0.001 0.000 0.170 752 R C -0.619 175.723 176.300 0.070 0.000 0.800 752 R CA 0.700 56.859 56.100 0.099 0.000 1.052 752 R CB 0.358 30.681 30.300 0.038 0.000 1.437 752 R HN 0.406 nan 8.270 nan 0.000 0.607 753 D N 0.530 120.950 120.400 0.033 0.000 3.830 753 D HA -0.151 4.489 4.640 -0.001 0.000 0.247 753 D C -1.273 175.060 176.300 0.055 0.000 1.073 753 D CA 0.472 54.496 54.000 0.040 0.000 1.116 753 D CB -1.021 39.812 40.800 0.054 0.000 0.909 753 D HN 0.272 nan 8.370 nan 0.000 0.418 754 C N 4.003 123.329 119.300 0.043 0.000 2.463 754 C HA 0.651 5.110 4.460 -0.001 0.000 0.380 754 C C 0.958 175.985 174.990 0.061 0.000 1.264 754 C CA -0.591 58.462 59.018 0.059 0.000 2.161 754 C CB 0.918 28.686 27.740 0.046 0.000 2.515 754 C HN 0.343 nan 8.230 nan 0.000 0.565 755 R N 1.935 122.482 120.500 0.079 0.000 2.518 755 R HA 0.539 4.878 4.340 -0.001 0.000 0.296 755 R C -1.749 174.583 176.300 0.054 0.000 1.080 755 R CA -0.332 55.807 56.100 0.065 0.000 0.922 755 R CB 1.695 32.044 30.300 0.082 0.000 1.184 755 R HN 0.547 nan 8.270 nan 0.000 0.445 756 V N 1.579 121.515 119.914 0.037 0.000 2.459 756 V HA 0.365 4.484 4.120 -0.001 0.000 0.295 756 V C 0.004 176.103 176.094 0.008 0.000 1.029 756 V CA -0.617 61.700 62.300 0.028 0.000 0.874 756 V CB 1.791 33.640 31.823 0.043 0.000 0.985 756 V HN 0.667 nan 8.190 nan 0.000 0.438 757 S N 3.791 119.482 115.700 -0.016 0.000 2.566 757 S HA 0.683 5.153 4.470 -0.001 0.000 0.324 757 S C -0.011 174.576 174.600 -0.022 0.000 1.081 757 S CA -0.359 57.821 58.200 -0.033 0.000 1.105 757 S CB 0.813 63.965 63.200 -0.080 0.000 0.981 757 S HN 1.090 nan 8.310 nan 0.000 0.464 758 A N 3.624 126.449 122.820 0.008 0.000 2.415 758 A HA 0.572 4.892 4.320 -0.001 0.000 0.309 758 A C 1.484 179.090 177.584 0.037 0.000 1.356 758 A CA 0.021 52.074 52.037 0.027 0.000 0.998 758 A CB -1.006 18.021 19.000 0.046 0.000 1.145 758 A HN 1.955 nan 8.150 nan 0.000 0.545 759 G N 1.507 110.318 108.800 0.018 0.000 2.230 759 G HA2 0.047 4.007 3.960 -0.001 0.000 0.270 759 G HA3 0.047 4.007 3.960 -0.001 0.000 0.270 759 G C 1.482 176.320 174.900 -0.103 0.000 0.987 759 G CA 1.292 46.401 45.100 0.014 0.000 0.664 759 G HN 2.671 nan 8.290 nan 0.000 0.539 760 G N -2.162 106.534 108.800 -0.173 0.000 2.164 760 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.154 760 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.154 760 G C -0.168 174.401 174.900 -0.552 0.000 1.014 760 G CA 0.424 45.316 45.100 -0.346 0.000 0.683 760 G HN 1.308 nan 8.290 nan 0.000 0.500 761 H N 0.029 119.097 119.070 -0.004 0.000 2.928 761 H HA 0.406 4.962 4.556 -0.001 0.000 0.371 761 H C -1.084 174.240 175.328 -0.007 0.000 1.186 761 H CA -0.853 55.193 56.048 -0.004 0.000 1.134 761 H CB 1.414 31.177 29.762 0.002 0.000 1.824 761 H HN 0.129 nan 8.280 nan 0.000 0.554 762 D N 4.061 124.534 120.400 0.122 0.000 2.434 762 D HA 0.062 4.701 4.640 -0.001 0.000 0.252 762 D C -1.967 174.363 176.300 0.050 0.000 1.185 762 D CA -0.656 53.375 54.000 0.052 0.000 0.886 762 D CB 0.400 41.213 40.800 0.022 0.000 1.148 762 D HN 0.128 nan 8.370 nan 0.000 0.483 763 P HA -0.031 nan 4.420 nan 0.000 0.264 763 P C -0.577 176.731 177.300 0.014 0.000 1.229 763 P CA -0.204 62.933 63.100 0.062 0.000 0.780 763 P CB 0.787 32.549 31.700 0.103 0.000 0.808 764 V N 6.750 126.678 119.914 0.024 0.000 2.435 764 V HA 0.305 4.425 4.120 -0.001 0.000 0.290 764 V C -0.484 175.704 176.094 0.156 0.000 1.030 764 V CA -0.718 61.562 62.300 -0.034 0.000 0.881 764 V CB 0.422 32.225 31.823 -0.032 0.000 0.983 764 V HN 0.262 nan 8.190 nan 0.000 0.445 765 Y N 4.109 124.393 120.300 -0.027 0.000 2.260 765 Y HA 0.724 5.273 4.550 -0.001 0.000 0.339 765 Y C 0.668 176.590 175.900 0.038 0.000 1.317 765 Y CA -1.023 57.074 58.100 -0.005 0.000 1.514 765 Y CB 0.806 39.243 38.460 -0.038 0.000 1.382 765 Y HN 0.842 nan 8.280 nan 0.000 0.581 766 A N -0.500 122.484 122.820 0.274 0.000 2.456 766 A HA 0.662 4.982 4.320 -0.001 0.000 0.288 766 A C 0.245 177.957 177.584 0.214 0.000 1.042 766 A CA -0.147 52.006 52.037 0.193 0.000 0.738 766 A CB 0.837 19.926 19.000 0.148 0.000 1.266 766 A HN 0.816 nan 8.150 nan 0.000 0.407 767 A N 1.296 124.221 122.820 0.176 0.000 2.066 767 A HA 0.568 4.887 4.320 -0.001 0.000 0.218 767 A C 1.159 178.814 177.584 0.118 0.000 1.157 767 A CA 1.950 54.087 52.037 0.166 0.000 0.670 767 A CB -0.154 18.924 19.000 0.130 0.000 0.804 767 A HN 2.542 nan 8.150 nan 0.000 0.453 768 A N -2.929 119.951 122.820 0.101 0.000 2.540 768 A HA 0.551 4.870 4.320 -0.001 0.000 0.291 768 A C -1.320 176.307 177.584 0.072 0.000 1.083 768 A CA 0.128 52.213 52.037 0.080 0.000 0.650 768 A CB 0.382 19.410 19.000 0.048 0.000 1.292 768 A HN 0.889 nan 8.150 nan 0.000 0.435 769 C N 1.037 120.375 119.300 0.064 0.000 2.832 769 C HA 0.612 5.072 4.460 -0.001 0.000 0.383 769 C C -0.307 174.702 174.990 0.031 0.000 1.046 769 C CA -0.784 58.257 59.018 0.038 0.000 1.242 769 C CB 0.292 28.042 27.740 0.015 0.000 1.693 769 C HN 0.876 nan 8.230 nan 0.000 0.497 770 N N 1.699 120.416 118.700 0.029 0.000 2.737 770 N HA 0.357 5.096 4.740 -0.001 0.000 0.292 770 N C 1.004 176.517 175.510 0.005 0.000 1.367 770 N CA 0.436 53.505 53.050 0.032 0.000 0.818 770 N CB 0.046 38.561 38.487 0.047 0.000 1.109 770 N HN 0.617 nan 8.380 nan 0.000 0.466 771 V N -3.457 116.463 119.914 0.010 0.000 3.604 771 V HA 0.444 4.564 4.120 -0.001 0.000 0.277 771 V C 1.528 177.652 176.094 0.050 0.000 1.399 771 V CA 0.483 62.794 62.300 0.018 0.000 1.034 771 V CB -0.137 31.670 31.823 -0.026 0.000 0.824 771 V HN 0.504 nan 8.190 nan 0.000 0.439 772 A N 1.085 123.930 122.820 0.040 0.000 1.924 772 A HA 0.071 4.390 4.320 -0.001 0.000 0.211 772 A C 2.197 179.811 177.584 0.049 0.000 1.198 772 A CA 1.813 53.876 52.037 0.044 0.000 0.657 772 A CB -0.659 18.362 19.000 0.036 0.000 0.852 772 A HN 0.410 nan 8.150 nan 0.000 0.454 773 T N 0.942 115.521 114.554 0.041 0.000 2.812 773 T HA 0.212 4.562 4.350 -0.001 0.000 0.264 773 T C 1.224 175.943 174.700 0.031 0.000 1.042 773 T CA 0.749 62.870 62.100 0.035 0.000 1.140 773 T CB -0.531 68.355 68.868 0.030 0.000 0.870 773 T HN 0.566 nan 8.240 nan 0.000 0.445 774 A N 2.448 125.282 122.820 0.024 0.000 2.561 774 A HA 0.222 4.542 4.320 -0.001 0.000 0.251 774 A C 0.029 177.647 177.584 0.056 0.000 1.062 774 A CA -0.015 52.009 52.037 -0.022 0.000 0.761 774 A CB -0.225 18.746 19.000 -0.049 0.000 0.986 774 A HN 0.346 nan 8.150 nan 0.000 0.510 775 D N 2.484 122.884 120.400 0.000 0.000 2.408 775 D HA 0.469 5.109 4.640 -0.001 0.000 0.261 775 D C 0.214 176.572 176.300 0.097 0.000 1.190 775 D CA -0.534 53.535 54.000 0.114 0.000 0.910 775 D CB -0.109 40.740 40.800 0.081 0.000 1.097 775 D HN 0.274 nan 8.370 nan 0.000 0.522 776 F N 1.212 121.223 119.950 0.102 0.000 2.192 776 F HA -0.068 4.459 4.527 -0.001 0.000 0.301 776 F C 1.517 177.387 175.800 0.117 0.000 1.079 776 F CA 0.785 58.864 58.000 0.131 0.000 1.303 776 F CB -0.222 38.871 39.000 0.155 0.000 1.024 776 F HN 0.355 nan 8.300 nan 0.000 0.494 777 N N 1.033 119.896 118.700 0.271 0.000 3.131 777 N HA 0.086 4.825 4.740 -0.001 0.000 0.312 777 N C -0.327 175.257 175.510 0.122 0.000 1.433 777 N CA -0.107 53.048 53.050 0.176 0.000 1.141 777 N CB 0.091 38.665 38.487 0.145 0.000 1.431 777 N HN 0.385 nan 8.380 nan 0.000 0.523 778 R N -0.179 120.385 120.500 0.106 0.000 2.338 778 R HA 0.344 4.684 4.340 -0.001 0.000 0.317 778 R C -0.903 175.440 176.300 0.072 0.000 0.968 778 R CA -0.610 55.533 56.100 0.071 0.000 0.849 778 R CB 0.925 31.254 30.300 0.048 0.000 1.128 778 R HN 0.011 nan 8.270 nan 0.000 0.448 779 N N 2.994 121.728 118.700 0.057 0.000 2.851 779 N HA 0.051 4.790 4.740 -0.001 0.000 0.248 779 N C -0.955 174.545 175.510 -0.018 0.000 1.221 779 N CA -0.342 52.756 53.050 0.079 0.000 0.847 779 N CB 0.712 39.264 38.487 0.110 0.000 1.150 779 N HN 0.892 nan 8.380 nan 0.000 0.507 780 D N 1.959 122.308 120.400 -0.085 0.000 2.480 780 D HA 0.061 4.701 4.640 -0.001 0.000 0.276 780 D C 0.551 176.694 176.300 -0.262 0.000 1.294 780 D CA -0.039 53.753 54.000 -0.347 0.000 0.829 780 D CB -0.024 40.663 40.800 -0.188 0.000 1.242 780 D HN 0.498 nan 8.370 nan 0.000 0.513 781 G N 1.912 110.730 108.800 0.029 0.000 2.370 781 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.295 781 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.295 781 G C -0.384 174.539 174.900 0.039 0.000 1.045 781 G CA 0.518 45.684 45.100 0.110 0.000 1.199 781 G HN 0.571 nan 8.290 nan 0.000 0.513 782 Q N -0.268 119.549 119.800 0.028 0.000 2.309 782 Q HA 0.628 4.968 4.340 -0.001 0.000 0.270 782 Q C -0.801 175.217 176.000 0.031 0.000 1.023 782 Q CA -1.123 54.702 55.803 0.037 0.000 0.758 782 Q CB 0.895 29.650 28.738 0.029 0.000 1.247 782 Q HN 0.212 nan 8.270 nan 0.000 0.455 783 L N 4.239 125.476 121.223 0.024 0.000 2.296 783 L HA 0.427 4.766 4.340 -0.001 0.000 0.286 783 L C -0.255 176.688 176.870 0.121 0.000 1.023 783 L CA -0.353 54.425 54.840 -0.103 0.000 0.812 783 L CB 1.336 43.114 42.059 -0.467 0.000 1.223 783 L HN 0.690 nan 8.230 nan 0.000 0.421 784 L N 3.561 124.983 121.223 0.332 0.000 2.453 784 L HA 0.045 4.385 4.340 -0.001 0.000 0.272 784 L C 0.257 177.360 176.870 0.389 0.000 1.182 784 L CA -0.002 55.038 54.840 0.332 0.000 0.858 784 L CB 0.103 42.340 42.059 0.297 0.000 1.120 784 L HN 0.650 nan 8.230 nan 0.000 0.474 785 H N 3.489 122.663 119.070 0.174 0.000 2.528 785 H HA 0.194 4.749 4.556 -0.001 0.000 0.256 785 H C -0.534 174.959 175.328 0.275 0.000 1.204 785 H CA -0.818 55.314 56.048 0.139 0.000 0.955 785 H CB 0.023 29.760 29.762 -0.043 0.000 1.817 785 H HN 0.561 nan 8.280 nan 0.000 0.579 786 N N 0.510 119.288 118.700 0.129 0.000 2.621 786 N HA 0.102 4.841 4.740 -0.001 0.000 0.237 786 N C -0.469 174.975 175.510 -0.109 0.000 0.997 786 N CA -0.125 52.932 53.050 0.012 0.000 0.918 786 N CB 1.147 39.685 38.487 0.086 0.000 1.122 786 N HN 0.337 nan 8.380 nan 0.000 0.510 787 T N -1.981 112.410 114.554 -0.272 0.000 3.641 787 T HA 0.124 4.474 4.350 -0.001 0.000 0.313 787 T C -0.116 174.365 174.700 -0.365 0.000 0.952 787 T CA -0.408 61.532 62.100 -0.268 0.000 1.004 787 T CB -0.027 68.775 68.868 -0.110 0.000 1.209 787 T HN 0.265 nan 8.240 nan 0.000 0.493 788 Q N 0.893 120.373 119.800 -0.533 0.000 2.407 788 Q HA 0.806 5.145 4.340 -0.001 0.000 0.214 788 Q C 1.628 177.460 176.000 -0.280 0.000 1.043 788 Q CA 0.062 55.561 55.803 -0.506 0.000 0.983 788 Q CB 0.469 28.861 28.738 -0.577 0.000 1.211 788 Q HN 0.305 nan 8.270 nan 0.000 0.564 789 A N 0.696 123.378 122.820 -0.231 0.000 1.843 789 A HA 0.007 4.327 4.320 -0.001 0.000 0.213 789 A C 0.275 177.781 177.584 -0.130 0.000 1.202 789 A CA 0.810 52.766 52.037 -0.134 0.000 0.607 789 A CB 0.032 18.971 19.000 -0.103 0.000 0.847 789 A HN 0.506 nan 8.150 nan 0.000 0.445 790 R N -0.739 119.645 120.500 -0.192 0.000 2.428 790 R HA 0.599 4.939 4.340 -0.001 0.000 0.294 790 R C 0.631 176.709 176.300 -0.370 0.000 1.000 790 R CA 0.240 56.198 56.100 -0.237 0.000 0.960 790 R CB 0.594 30.801 30.300 -0.155 0.000 1.076 790 R HN 0.222 nan 8.270 nan 0.000 0.475 791 A N 1.742 124.253 122.820 -0.516 0.000 2.168 791 A HA -0.004 4.316 4.320 -0.001 0.000 0.215 791 A C 1.905 179.348 177.584 -0.234 0.000 1.152 791 A CA 1.342 53.112 52.037 -0.446 0.000 0.716 791 A CB -0.360 18.365 19.000 -0.458 0.000 0.794 791 A HN 0.828 nan 8.150 nan 0.000 0.465 792 A N 0.289 122.997 122.820 -0.187 0.000 1.873 792 A HA -0.072 4.247 4.320 -0.001 0.000 0.215 792 A C 0.656 178.183 177.584 -0.095 0.000 1.186 792 A CA 1.069 53.037 52.037 -0.116 0.000 0.616 792 A CB -0.347 18.595 19.000 -0.096 0.000 0.823 792 A HN 0.410 nan 8.150 nan 0.000 0.442 793 D N 1.091 121.423 120.400 -0.114 0.000 2.416 793 D HA 0.440 5.080 4.640 -0.001 0.000 0.240 793 D C -0.257 175.993 176.300 -0.083 0.000 1.250 793 D CA 0.670 54.622 54.000 -0.081 0.000 0.967 793 D CB 0.296 41.036 40.800 -0.101 0.000 1.059 793 D HN 0.348 nan 8.370 nan 0.000 0.512 794 A N 1.369 124.179 122.820 -0.018 0.000 2.330 794 A HA 0.766 5.086 4.320 -0.001 0.000 0.313 794 A C -0.547 177.099 177.584 0.104 0.000 1.124 794 A CA -0.627 51.425 52.037 0.024 0.000 0.774 794 A CB 1.609 20.605 19.000 -0.006 0.000 1.198 794 A HN 0.468 nan 8.150 nan 0.000 0.465 795 A N 1.346 124.294 122.820 0.213 0.000 2.515 795 A HA 0.744 5.064 4.320 -0.001 0.000 0.296 795 A C -0.213 177.505 177.584 0.223 0.000 1.094 795 A CA -0.049 52.100 52.037 0.186 0.000 0.718 795 A CB 1.669 20.764 19.000 0.158 0.000 1.307 795 A HN 0.742 nan 8.150 nan 0.000 0.408 796 D N -1.263 119.247 120.400 0.184 0.000 2.403 796 D HA 0.036 4.676 4.640 -0.001 0.000 0.280 796 D C 0.867 177.285 176.300 0.198 0.000 1.091 796 D CA 1.085 55.211 54.000 0.210 0.000 0.884 796 D CB 0.534 41.418 40.800 0.139 0.000 1.427 796 D HN 0.569 nan 8.370 nan 0.000 0.504 797 D N 0.519 120.991 120.400 0.120 0.000 2.454 797 D HA -0.044 4.595 4.640 -0.001 0.000 0.247 797 D C 0.874 177.206 176.300 0.053 0.000 1.143 797 D CA -0.041 54.008 54.000 0.082 0.000 0.972 797 D CB -0.682 40.143 40.800 0.042 0.000 1.070 797 D HN 0.202 nan 8.370 nan 0.000 0.433 798 R N 2.260 122.782 120.500 0.037 0.000 2.811 798 R HA 0.230 4.570 4.340 -0.001 0.000 0.265 798 R C -2.248 174.045 176.300 -0.012 0.000 1.026 798 R CA -0.946 55.163 56.100 0.016 0.000 1.142 798 R CB -0.631 29.687 30.300 0.029 0.000 1.027 798 R HN 0.116 nan 8.270 nan 0.000 0.465 799 P HA 0.145 nan 4.420 nan 0.000 0.281 799 P C -0.528 176.776 177.300 0.007 0.000 1.264 799 P CA -0.455 62.636 63.100 -0.015 0.000 0.824 799 P CB 1.124 32.819 31.700 -0.009 0.000 1.092 800 H N 0.770 119.903 119.070 0.105 0.000 2.393 800 H HA 0.190 4.746 4.556 -0.001 0.000 0.307 800 H C 1.967 177.207 175.328 -0.147 0.000 1.038 800 H CA 0.793 56.801 56.048 -0.067 0.000 1.351 800 H CB -0.025 29.613 29.762 -0.206 0.000 1.464 800 H HN 0.287 nan 8.280 nan 0.000 0.575 801 R N 0.834 121.301 120.500 -0.056 0.000 2.054 801 R HA 0.244 4.584 4.340 -0.001 0.000 0.223 801 R C 0.970 177.177 176.300 -0.154 0.000 1.176 801 R CA 1.070 56.959 56.100 -0.351 0.000 0.934 801 R CB -0.376 29.431 30.300 -0.823 0.000 0.828 801 R HN 0.450 nan 8.270 nan 0.000 0.441 802 G N -2.332 106.467 108.800 -0.002 0.000 2.352 802 G HA2 0.263 4.222 3.960 -0.001 0.000 0.302 802 G HA3 0.263 4.222 3.960 -0.001 0.000 0.302 802 G C 0.117 175.102 174.900 0.142 0.000 1.370 802 G CA -0.153 44.989 45.100 0.070 0.000 0.918 802 G HN 0.277 nan 8.290 nan 0.000 0.610 803 A N -0.118 122.771 122.820 0.115 0.000 1.841 803 A HA 0.006 4.326 4.320 -0.001 0.000 0.216 803 A C 1.956 179.633 177.584 0.154 0.000 1.199 803 A CA 2.886 54.990 52.037 0.112 0.000 0.621 803 A CB -0.973 18.074 19.000 0.079 0.000 0.835 803 A HN 0.752 nan 8.150 nan 0.000 0.445 804 D N -1.238 119.276 120.400 0.191 0.000 2.126 804 D HA -0.219 4.421 4.640 -0.001 0.000 0.190 804 D C 1.530 178.104 176.300 0.457 0.000 1.001 804 D CA 1.348 55.520 54.000 0.288 0.000 0.841 804 D CB -0.396 40.636 40.800 0.387 0.000 0.949 804 D HN 0.655 nan 8.370 nan 0.000 0.446 805 W N 1.628 123.044 121.300 0.192 0.000 2.274 805 W HA -0.386 4.274 4.660 -0.001 0.000 0.338 805 W C 2.351 178.919 176.519 0.082 0.000 1.348 805 W CA 3.197 60.619 57.345 0.128 0.000 1.202 805 W CB -1.219 28.233 29.460 -0.014 0.000 1.116 805 W HN 0.193 nan 8.180 nan 0.000 0.473 806 T N -0.039 114.578 114.554 0.105 0.000 2.684 806 T HA -0.310 4.040 4.350 -0.001 0.000 0.267 806 T C 1.773 176.444 174.700 -0.049 0.000 1.032 806 T CA 2.765 64.813 62.100 -0.087 0.000 1.155 806 T CB -1.368 67.523 68.868 0.040 0.000 0.857 806 T HN 0.152 nan 8.240 nan 0.000 0.457 807 V N 2.469 122.383 119.914 0.001 0.000 2.215 807 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 807 V C 2.533 178.535 176.094 -0.154 0.000 1.047 807 V CA 2.459 64.700 62.300 -0.099 0.000 0.999 807 V CB -1.098 30.605 31.823 -0.201 0.000 0.635 807 V HN 0.639 nan 8.190 nan 0.000 0.450 808 H N -0.982 118.024 119.070 -0.107 0.000 2.437 808 H HA -0.228 4.327 4.556 -0.001 0.000 0.296 808 H C 2.249 177.340 175.328 -0.396 0.000 1.121 808 H CA 2.203 58.112 56.048 -0.232 0.000 1.255 808 H CB -0.417 29.244 29.762 -0.169 0.000 1.366 808 H HN 0.571 nan 8.280 nan 0.000 0.512 809 H N 0.364 119.221 119.070 -0.355 0.000 2.293 809 H HA -0.045 4.511 4.556 -0.001 0.000 0.300 809 H C 2.108 177.341 175.328 -0.158 0.000 1.082 809 H CA 1.392 57.234 56.048 -0.343 0.000 1.308 809 H CB -0.018 29.503 29.762 -0.402 0.000 1.375 809 H HN 0.273 nan 8.280 nan 0.000 0.495 810 K N 0.087 120.465 120.400 -0.037 0.000 2.063 810 K HA -0.125 4.194 4.320 -0.001 0.000 0.208 810 K C 2.208 178.804 176.600 -0.008 0.000 1.048 810 K CA 1.564 57.847 56.287 -0.007 0.000 0.928 810 K CB -0.166 32.382 32.500 0.080 0.000 0.713 810 K HN 0.222 nan 8.250 nan 0.000 0.442 811 I N -0.085 120.422 120.570 -0.106 0.000 2.163 811 I HA -0.330 3.839 4.170 -0.001 0.000 0.243 811 I C 2.340 178.373 176.117 -0.139 0.000 1.085 811 I CA 1.457 62.657 61.300 -0.166 0.000 1.347 811 I CB -0.387 37.480 38.000 -0.221 0.000 1.044 811 I HN 0.171 nan 8.210 nan 0.000 0.408 812 Y N 0.924 121.057 120.300 -0.278 0.000 2.114 812 Y HA -0.312 4.237 4.550 -0.001 0.000 0.284 812 Y C 2.534 178.311 175.900 -0.204 0.000 1.143 812 Y CA 1.815 59.745 58.100 -0.284 0.000 1.135 812 Y CB -0.557 37.590 38.460 -0.522 0.000 0.980 812 Y HN 0.035 nan 8.280 nan 0.000 0.499 813 Y N -1.873 118.315 120.300 -0.187 0.000 2.242 813 Y HA -0.224 4.326 4.550 -0.001 0.000 0.291 813 Y C 2.036 177.857 175.900 -0.130 0.000 1.137 813 Y CA 1.744 59.691 58.100 -0.256 0.000 1.181 813 Y CB -0.902 37.301 38.460 -0.427 0.000 0.989 813 Y HN 0.223 nan 8.280 nan 0.000 0.527 814 Y N -2.449 117.899 120.300 0.081 0.000 2.510 814 Y HA 0.033 4.582 4.550 -0.001 0.000 0.273 814 Y C 1.703 177.495 175.900 -0.180 0.000 1.119 814 Y CA 0.024 58.088 58.100 -0.060 0.000 1.286 814 Y CB 0.439 38.742 38.460 -0.261 0.000 1.061 814 Y HN -0.129 nan 8.280 nan 0.000 0.542 815 V N -1.776 118.079 119.914 -0.098 0.000 3.264 815 V HA -0.117 4.002 4.120 -0.001 0.000 0.217 815 V C 1.943 177.892 176.094 -0.243 0.000 1.236 815 V CA 0.250 62.461 62.300 -0.150 0.000 1.287 815 V CB -0.409 31.306 31.823 -0.180 0.000 1.241 815 V HN 0.100 nan 8.190 nan 0.000 0.518 816 M N 0.524 119.927 119.600 -0.329 0.000 2.088 816 M HA -0.196 4.283 4.480 -0.001 0.000 0.256 816 M C 2.268 178.303 176.300 -0.441 0.000 1.071 816 M CA 1.906 56.945 55.300 -0.434 0.000 1.097 816 M CB -1.035 31.169 32.600 -0.660 0.000 1.315 816 M HN 0.293 nan 8.290 nan 0.000 0.406 817 V N 0.642 120.232 119.914 -0.540 0.000 2.219 817 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 817 V C -0.407 175.481 176.094 -0.344 0.000 1.053 817 V CA 2.355 64.385 62.300 -0.452 0.000 1.009 817 V CB -2.290 29.330 31.823 -0.338 0.000 0.636 817 V HN 0.249 nan 8.190 nan 0.000 0.445 818 P HA -0.192 nan 4.420 nan 0.000 0.215 818 P C 1.722 178.859 177.300 -0.272 0.000 1.157 818 P CA 2.179 65.184 63.100 -0.158 0.000 0.874 818 P CB -0.242 31.401 31.700 -0.095 0.000 0.790 819 A N -1.231 121.378 122.820 -0.351 0.000 1.884 819 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 819 A C 2.057 179.299 177.584 -0.569 0.000 1.197 819 A CA 2.072 53.813 52.037 -0.494 0.000 0.637 819 A CB -1.872 16.729 19.000 -0.664 0.000 0.827 819 A HN 0.160 nan 8.150 nan 0.000 0.450 820 F N 0.183 119.877 119.950 -0.426 0.000 2.219 820 F HA -0.051 4.475 4.527 -0.001 0.000 0.294 820 F C 2.897 178.389 175.800 -0.514 0.000 1.086 820 F CA 1.239 58.951 58.000 -0.479 0.000 1.330 820 F CB -0.095 38.509 39.000 -0.659 0.000 1.047 820 F HN 0.335 nan 8.300 nan 0.000 0.495 821 S N -0.546 114.878 115.700 -0.460 0.000 2.496 821 S HA -0.032 4.438 4.470 -0.001 0.000 0.224 821 S C 0.986 175.488 174.600 -0.163 0.000 0.996 821 S CA -0.102 57.896 58.200 -0.337 0.000 0.927 821 S CB -0.191 62.806 63.200 -0.338 0.000 0.774 821 S HN 0.229 nan 8.310 nan 0.000 0.524 822 R N 0.936 121.333 120.500 -0.170 0.000 3.405 822 R HA -0.192 4.147 4.340 -0.001 0.000 0.258 822 R C 1.317 177.565 176.300 -0.086 0.000 1.030 822 R CA 0.854 56.880 56.100 -0.124 0.000 0.691 822 R CB -2.755 27.486 30.300 -0.098 0.000 1.093 822 R HN 1.195 nan 8.270 nan 0.000 0.448 823 G N -0.658 108.099 108.800 -0.072 0.000 2.347 823 G HA2 -0.422 3.538 3.960 -0.001 0.000 0.247 823 G HA3 -0.422 3.538 3.960 -0.001 0.000 0.247 823 G C 0.290 175.165 174.900 -0.041 0.000 1.037 823 G CA 0.474 45.552 45.100 -0.038 0.000 0.622 823 G HN 0.455 nan 8.290 nan 0.000 0.521 824 R N 1.076 121.543 120.500 -0.056 0.000 2.605 824 R HA 0.475 4.814 4.340 -0.001 0.000 0.271 824 R C 0.509 176.774 176.300 -0.058 0.000 1.418 824 R CA 0.566 56.621 56.100 -0.076 0.000 1.102 824 R CB -0.825 29.452 30.300 -0.038 0.000 1.131 824 R HN 1.168 nan 8.270 nan 0.000 0.554 825 C N -0.926 118.300 119.300 -0.123 0.000 2.849 825 C HA 0.521 4.981 4.460 -0.001 0.000 0.321 825 C C -1.081 173.926 174.990 0.029 0.000 1.245 825 C CA -1.654 57.370 59.018 0.009 0.000 1.176 825 C CB 0.818 28.648 27.740 0.150 0.000 1.317 825 C HN 0.942 nan 8.230 nan 0.000 0.479 826 C N 2.604 122.039 119.300 0.225 0.000 3.181 826 C HA 0.836 5.296 4.460 -0.001 0.000 0.362 826 C C 0.133 175.222 174.990 0.166 0.000 1.125 826 C CA 0.793 59.956 59.018 0.242 0.000 1.265 826 C CB 0.977 28.873 27.740 0.261 0.000 1.632 826 C HN 2.290 nan 8.230 nan 0.000 0.525 827 T N 2.578 117.203 114.554 0.117 0.000 2.913 827 T HA 0.674 5.024 4.350 -0.001 0.000 0.297 827 T C 0.022 174.737 174.700 0.024 0.000 1.029 827 T CA 0.418 62.526 62.100 0.014 0.000 1.104 827 T CB 1.194 70.070 68.868 0.014 0.000 0.964 827 T HN 2.285 nan 8.240 nan 0.000 0.532 828 A N 1.805 124.585 122.820 -0.066 0.000 2.572 828 A HA 0.840 5.160 4.320 -0.001 0.000 0.295 828 A C 0.103 177.544 177.584 -0.239 0.000 1.072 828 A CA -0.657 51.309 52.037 -0.118 0.000 0.691 828 A CB 1.416 20.329 19.000 -0.144 0.000 1.291 828 A HN 1.321 nan 8.150 nan 0.000 0.404 829 G N -0.268 108.219 108.800 -0.521 0.000 2.425 829 G HA2 0.548 4.507 3.960 -0.001 0.000 0.302 829 G HA3 0.548 4.507 3.960 -0.001 0.000 0.302 829 G C -0.594 173.744 174.900 -0.936 0.000 1.159 829 G CA -0.330 44.350 45.100 -0.701 0.000 0.865 829 G HN 0.959 nan 8.290 nan 0.000 0.515 830 V N 1.394 121.182 119.914 -0.210 0.000 2.612 830 V HA 0.405 4.525 4.120 -0.001 0.000 0.301 830 V C 0.348 176.500 176.094 0.097 0.000 1.046 830 V CA -0.853 61.403 62.300 -0.074 0.000 0.946 830 V CB 1.792 33.404 31.823 -0.352 0.000 1.003 830 V HN 0.733 nan 8.190 nan 0.000 0.459 831 R N 3.066 123.597 120.500 0.051 0.000 3.171 831 R HA 0.298 4.638 4.340 -0.001 0.000 0.241 831 R C 0.342 176.707 176.300 0.108 0.000 1.421 831 R CA -0.223 56.011 56.100 0.222 0.000 1.444 831 R CB -0.112 30.282 30.300 0.156 0.000 1.247 831 R HN 0.654 nan 8.270 nan 0.000 0.636 832 F N 1.641 121.729 119.950 0.230 0.000 2.141 832 F HA -0.363 4.163 4.527 -0.001 0.000 0.300 832 F C 2.225 178.272 175.800 0.412 0.000 1.079 832 F CA 1.746 59.852 58.000 0.178 0.000 1.264 832 F CB -0.274 38.768 39.000 0.070 0.000 1.011 832 F HN 0.468 nan 8.300 nan 0.000 0.487 833 D N 0.490 121.281 120.400 0.653 0.000 2.095 833 D HA -0.208 4.432 4.640 -0.001 0.000 0.192 833 D C 2.141 178.470 176.300 0.047 0.000 0.990 833 D CA 1.096 55.087 54.000 -0.015 0.000 0.836 833 D CB -0.901 39.657 40.800 -0.403 0.000 0.979 833 D HN 0.182 nan 8.370 nan 0.000 0.447 834 R N 0.674 121.168 120.500 -0.010 0.000 2.165 834 R HA -0.157 4.182 4.340 -0.001 0.000 0.254 834 R C 2.586 178.912 176.300 0.043 0.000 1.153 834 R CA 1.153 57.182 56.100 -0.119 0.000 0.971 834 R CB -1.045 29.081 30.300 -0.289 0.000 0.878 834 R HN 0.284 nan 8.270 nan 0.000 0.449 835 V N -0.237 119.762 119.914 0.143 0.000 2.227 835 V HA -0.253 3.867 4.120 -0.001 0.000 0.238 835 V C 2.064 178.286 176.094 0.214 0.000 1.039 835 V CA 1.692 64.109 62.300 0.195 0.000 0.990 835 V CB -1.158 30.573 31.823 -0.153 0.000 0.635 835 V HN 0.270 nan 8.190 nan 0.000 0.453 836 Y N 0.588 121.004 120.300 0.194 0.000 2.144 836 Y HA -0.403 4.146 4.550 -0.001 0.000 0.277 836 Y C 2.502 178.471 175.900 0.115 0.000 1.229 836 Y CA 1.324 59.533 58.100 0.182 0.000 1.144 836 Y CB -0.520 38.111 38.460 0.285 0.000 0.953 836 Y HN 0.351 nan 8.280 nan 0.000 0.515 837 A N 0.320 123.290 122.820 0.250 0.000 1.904 837 A HA -0.320 3.999 4.320 -0.001 0.000 0.207 837 A C 2.242 179.912 177.584 0.144 0.000 1.231 837 A CA 2.661 54.776 52.037 0.129 0.000 0.655 837 A CB -1.689 17.338 19.000 0.046 0.000 0.875 837 A HN 0.499 nan 8.150 nan 0.000 0.478 838 T N -1.189 113.459 114.554 0.157 0.000 2.837 838 T HA -0.208 4.141 4.350 -0.001 0.000 0.266 838 T C 1.656 176.452 174.700 0.160 0.000 1.077 838 T CA 1.903 64.105 62.100 0.170 0.000 1.133 838 T CB -0.644 68.387 68.868 0.271 0.000 0.830 838 T HN 0.328 nan 8.240 nan 0.000 0.512 839 L N 0.638 121.967 121.223 0.177 0.000 2.007 839 L HA 0.002 4.341 4.340 -0.001 0.000 0.205 839 L C 2.479 179.442 176.870 0.155 0.000 1.073 839 L CA 1.748 56.690 54.840 0.170 0.000 0.744 839 L CB -0.345 41.846 42.059 0.219 0.000 0.898 839 L HN 0.564 nan 8.230 nan 0.000 0.435 840 Q N -0.238 119.646 119.800 0.140 0.000 2.414 840 Q HA 0.006 4.346 4.340 -0.001 0.000 0.286 840 Q C -0.267 175.772 176.000 0.064 0.000 0.941 840 Q CA 0.007 55.861 55.803 0.085 0.000 0.951 840 Q CB -0.679 28.088 28.738 0.049 0.000 1.188 840 Q HN 0.324 nan 8.270 nan 0.000 0.418 841 N N 1.384 120.131 118.700 0.078 0.000 2.723 841 N HA 0.183 4.922 4.740 -0.001 0.000 0.290 841 N C -0.490 175.059 175.510 0.065 0.000 1.882 841 N CA -0.481 52.605 53.050 0.061 0.000 0.851 841 N CB 0.536 39.063 38.487 0.065 0.000 1.234 841 N HN 0.441 nan 8.380 nan 0.000 0.491 842 M N -1.066 118.567 119.600 0.055 0.000 2.705 842 M HA 0.654 5.134 4.480 -0.001 0.000 0.272 842 M C -1.085 175.232 176.300 0.027 0.000 1.172 842 M CA -0.856 54.474 55.300 0.051 0.000 0.901 842 M CB 1.285 33.912 32.600 0.045 0.000 1.516 842 M HN -0.134 nan 8.290 nan 0.000 0.530 843 V N 1.867 121.792 119.914 0.019 0.000 2.439 843 V HA 0.337 4.457 4.120 -0.001 0.000 0.277 843 V C -1.013 175.079 176.094 -0.004 0.000 1.008 843 V CA -0.549 61.756 62.300 0.009 0.000 0.846 843 V CB 1.593 33.426 31.823 0.016 0.000 1.031 843 V HN 0.675 nan 8.190 nan 0.000 0.441 844 V N 7.568 127.471 119.914 -0.018 0.000 2.293 844 V HA 0.395 4.515 4.120 -0.001 0.000 0.275 844 V C -1.568 174.507 176.094 -0.031 0.000 1.021 844 V CA -1.440 60.839 62.300 -0.035 0.000 0.815 844 V CB 1.666 33.457 31.823 -0.053 0.000 1.025 844 V HN 0.707 nan 8.190 nan 0.000 0.448 845 P HA 0.076 nan 4.420 nan 0.000 0.268 845 P C -0.232 177.047 177.300 -0.035 0.000 1.208 845 P CA -0.235 62.851 63.100 -0.024 0.000 0.777 845 P CB 0.969 32.659 31.700 -0.016 0.000 0.875 846 E N 1.441 121.623 120.200 -0.030 0.000 2.480 846 E HA 0.040 4.390 4.350 -0.001 0.000 0.258 846 E C -0.203 176.374 176.600 -0.039 0.000 0.984 846 E CA -0.239 56.141 56.400 -0.033 0.000 0.930 846 E CB -0.302 29.382 29.700 -0.026 0.000 0.936 846 E HN 0.325 nan 8.360 nan 0.000 0.466 847 I N 4.643 125.186 120.570 -0.044 0.000 2.664 847 I HA 0.078 4.248 4.170 -0.001 0.000 0.284 847 I C -0.142 175.951 176.117 -0.039 0.000 1.154 847 I CA 0.235 61.506 61.300 -0.048 0.000 1.402 847 I CB -0.202 37.766 38.000 -0.052 0.000 1.395 847 I HN 0.610 nan 8.210 nan 0.000 0.545 848 A N 9.463 132.260 122.820 -0.038 0.000 2.550 848 A HA 0.160 4.480 4.320 -0.001 0.000 0.263 848 A C -2.075 175.491 177.584 -0.029 0.000 1.065 848 A CA -0.733 51.285 52.037 -0.032 0.000 0.786 848 A CB -1.309 17.671 19.000 -0.033 0.000 0.985 848 A HN 0.685 nan 8.150 nan 0.000 0.518 849 P HA 0.111 nan 4.420 nan 0.000 0.257 849 P C 1.246 178.533 177.300 -0.023 0.000 1.162 849 P CA 2.116 65.202 63.100 -0.024 0.000 0.762 849 P CB 0.343 32.031 31.700 -0.021 0.000 0.753 850 G N 2.141 110.927 108.800 -0.023 0.000 2.284 850 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.230 850 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.230 850 G C 0.232 175.118 174.900 -0.023 0.000 1.021 850 G CA -0.352 44.735 45.100 -0.021 0.000 0.619 850 G HN 0.494 nan 8.290 nan 0.000 0.510 851 E N 1.274 121.458 120.200 -0.026 0.000 2.345 851 E HA 0.496 4.846 4.350 -0.001 0.000 0.259 851 E C 0.298 176.879 176.600 -0.031 0.000 1.117 851 E CA -0.215 56.169 56.400 -0.028 0.000 0.913 851 E CB 0.803 30.485 29.700 -0.030 0.000 1.057 851 E HN 0.639 nan 8.360 nan 0.000 0.432 852 E N 0.071 120.252 120.200 -0.031 0.000 2.248 852 E HA 0.167 4.517 4.350 -0.001 0.000 0.272 852 E C -0.375 176.198 176.600 -0.045 0.000 1.008 852 E CA -0.653 55.726 56.400 -0.035 0.000 0.856 852 E CB 1.713 31.395 29.700 -0.029 0.000 1.120 852 E HN 0.425 nan 8.360 nan 0.000 0.397 853 C N 3.474 122.741 119.300 -0.055 0.000 2.465 853 C HA 0.045 4.505 4.460 -0.001 0.000 0.402 853 C C -1.980 172.960 174.990 -0.082 0.000 1.448 853 C CA -1.202 57.769 59.018 -0.079 0.000 1.589 853 C CB -0.919 26.769 27.740 -0.087 0.000 2.535 853 C HN 0.416 nan 8.230 nan 0.000 0.600 854 P HA 0.078 nan 4.420 nan 0.000 0.262 854 P C 0.384 177.647 177.300 -0.063 0.000 1.199 854 P CA 0.457 63.507 63.100 -0.083 0.000 0.763 854 P CB 0.680 32.299 31.700 -0.134 0.000 0.790 855 S N 1.473 117.205 115.700 0.053 0.000 2.427 855 S HA 0.005 4.475 4.470 -0.001 0.000 0.224 855 S C 0.533 175.267 174.600 0.223 0.000 1.047 855 S CA 0.167 58.423 58.200 0.094 0.000 0.953 855 S CB -0.385 62.845 63.200 0.050 0.000 0.824 855 S HN 0.480 nan 8.310 nan 0.000 0.502 856 D N 2.897 123.421 120.400 0.206 0.000 2.256 856 D HA 0.405 5.044 4.640 -0.001 0.000 0.240 856 D C -2.027 174.319 176.300 0.075 0.000 1.062 856 D CA -2.344 51.732 54.000 0.126 0.000 0.832 856 D CB 2.075 42.912 40.800 0.062 0.000 1.135 856 D HN 0.048 nan 8.370 nan 0.000 0.484 857 P HA 0.020 nan 4.420 nan 0.000 0.255 857 P C 0.610 177.888 177.300 -0.038 0.000 1.248 857 P CA 0.016 62.812 63.100 -0.507 0.000 0.807 857 P CB 0.517 31.585 31.700 -1.053 0.000 1.150 858 V N -0.947 118.982 119.914 0.026 0.000 3.174 858 V HA 0.009 4.128 4.120 -0.001 0.000 0.254 858 V C 1.976 178.190 176.094 0.200 0.000 1.120 858 V CA 1.617 63.966 62.300 0.082 0.000 1.114 858 V CB -0.689 31.154 31.823 0.033 0.000 0.756 858 V HN 0.166 nan 8.190 nan 0.000 0.467 859 T N -2.154 112.486 114.554 0.145 0.000 3.478 859 T HA 0.086 4.436 4.350 -0.001 0.000 0.223 859 T C 0.530 175.151 174.700 -0.131 0.000 0.958 859 T CA -0.043 62.090 62.100 0.055 0.000 1.324 859 T CB -0.116 68.766 68.868 0.024 0.000 1.262 859 T HN 0.319 nan 8.240 nan 0.000 0.379 860 D N 4.432 124.786 120.400 -0.078 0.000 2.536 860 D HA -0.038 4.601 4.640 -0.001 0.000 0.260 860 D C -1.566 174.554 176.300 -0.300 0.000 1.270 860 D CA -0.883 53.044 54.000 -0.121 0.000 0.934 860 D CB 0.980 41.776 40.800 -0.006 0.000 1.129 860 D HN 0.148 nan 8.370 nan 0.000 0.533 861 P HA -0.041 nan 4.420 nan 0.000 0.239 861 P C 0.395 177.593 177.300 -0.170 0.000 1.184 861 P CA 0.309 63.066 63.100 -0.573 0.000 0.760 861 P CB 0.225 31.703 31.700 -0.370 0.000 0.884 862 A N -1.309 121.455 122.820 -0.093 0.000 2.387 862 A HA 0.059 4.379 4.320 -0.001 0.000 0.234 862 A C 0.733 178.321 177.584 0.005 0.000 1.253 862 A CA -0.101 51.915 52.037 -0.035 0.000 0.894 862 A CB -0.851 18.119 19.000 -0.049 0.000 0.963 862 A HN 0.134 nan 8.150 nan 0.000 0.508 863 H N 1.723 120.771 119.070 -0.037 0.000 2.668 863 H HA 0.201 4.757 4.556 -0.001 0.000 0.303 863 H C -1.726 173.611 175.328 0.016 0.000 1.074 863 H CA -1.839 54.205 56.048 -0.006 0.000 1.406 863 H CB 1.537 31.312 29.762 0.020 0.000 1.442 863 H HN 0.090 nan 8.280 nan 0.000 0.482 864 P HA -0.169 nan 4.420 nan 0.000 0.222 864 P C 0.754 178.153 177.300 0.165 0.000 1.142 864 P CA 0.686 63.860 63.100 0.123 0.000 0.788 864 P CB 0.518 32.216 31.700 -0.005 0.000 0.767 865 L N -1.740 119.668 121.223 0.307 0.000 2.818 865 L HA 0.269 4.608 4.340 -0.001 0.000 0.243 865 L C 0.672 177.511 176.870 -0.051 0.000 1.185 865 L CA -0.708 54.166 54.840 0.056 0.000 0.988 865 L CB -1.732 40.328 42.059 0.001 0.000 1.292 865 L HN 0.020 nan 8.230 nan 0.000 0.519 866 H N 1.355 120.395 119.070 -0.051 0.000 2.610 866 H HA 0.205 4.761 4.556 -0.001 0.000 0.336 866 H C -1.384 173.880 175.328 -0.106 0.000 1.087 866 H CA -1.435 54.565 56.048 -0.080 0.000 1.405 866 H CB 1.288 31.041 29.762 -0.015 0.000 1.460 866 H HN -0.132 nan 8.280 nan 0.000 0.538 867 P HA -0.340 nan 4.420 nan 0.000 0.217 867 P C 1.137 178.309 177.300 -0.213 0.000 1.158 867 P CA 2.407 65.248 63.100 -0.432 0.000 0.887 867 P CB -0.143 31.293 31.700 -0.439 0.000 0.792 868 A N 0.294 123.055 122.820 -0.098 0.000 1.971 868 A HA -0.248 4.071 4.320 -0.001 0.000 0.222 868 A C 2.157 179.766 177.584 0.042 0.000 1.182 868 A CA 2.184 54.267 52.037 0.077 0.000 0.649 868 A CB -1.335 17.836 19.000 0.286 0.000 0.818 868 A HN 0.265 nan 8.150 nan 0.000 0.458 869 N N -0.464 118.264 118.700 0.046 0.000 2.373 869 N HA 0.092 4.831 4.740 -0.001 0.000 0.181 869 N C 0.006 175.513 175.510 -0.005 0.000 1.082 869 N CA 0.081 53.148 53.050 0.028 0.000 0.885 869 N CB -0.024 38.496 38.487 0.056 0.000 0.977 869 N HN 0.443 nan 8.380 nan 0.000 0.462 870 L N 2.701 123.893 121.223 -0.052 0.000 2.546 870 L HA 0.055 4.394 4.340 -0.001 0.000 0.272 870 L C -0.132 176.723 176.870 -0.025 0.000 1.327 870 L CA -0.122 54.681 54.840 -0.061 0.000 1.199 870 L CB -0.689 41.270 42.059 -0.167 0.000 1.401 870 L HN -0.224 nan 8.230 nan 0.000 0.440 871 V N 2.072 121.988 119.914 0.003 0.000 2.555 871 V HA 0.234 4.354 4.120 -0.001 0.000 0.286 871 V C 1.097 177.204 176.094 0.021 0.000 1.044 871 V CA -0.656 61.650 62.300 0.011 0.000 1.026 871 V CB 0.989 32.823 31.823 0.017 0.000 0.981 871 V HN 0.746 nan 8.190 nan 0.000 0.480 872 A N 4.577 127.408 122.820 0.018 0.000 2.531 872 A HA 0.230 4.550 4.320 -0.001 0.000 0.236 872 A C 1.117 178.721 177.584 0.034 0.000 1.062 872 A CA 0.152 52.204 52.037 0.026 0.000 0.760 872 A CB -0.419 18.593 19.000 0.020 0.000 0.995 872 A HN 1.098 nan 8.150 nan 0.000 0.501 873 N N -0.216 118.510 118.700 0.043 0.000 2.747 873 N HA -0.133 4.606 4.740 -0.001 0.000 0.249 873 N C -0.432 175.118 175.510 0.067 0.000 1.107 873 N CA 1.620 54.703 53.050 0.054 0.000 0.707 873 N CB -1.310 37.200 38.487 0.038 0.000 1.054 873 N HN 0.745 nan 8.380 nan 0.000 0.555 874 T N -0.588 114.009 114.554 0.072 0.000 2.876 874 T HA 0.304 4.654 4.350 -0.001 0.000 0.289 874 T C 1.545 176.314 174.700 0.115 0.000 1.014 874 T CA -0.173 61.978 62.100 0.084 0.000 0.986 874 T CB 2.824 71.732 68.868 0.067 0.000 1.021 874 T HN 0.001 nan 8.240 nan 0.000 0.458 875 V N 3.411 123.411 119.914 0.143 0.000 2.636 875 V HA -0.232 3.887 4.120 -0.001 0.000 0.258 875 V C 1.645 177.941 176.094 0.337 0.000 1.092 875 V CA 2.152 64.583 62.300 0.218 0.000 1.110 875 V CB -0.819 31.163 31.823 0.265 0.000 0.685 875 V HN 0.827 nan 8.190 nan 0.000 0.481 876 N N 0.502 119.331 118.700 0.215 0.000 2.120 876 N HA -0.121 4.619 4.740 -0.001 0.000 0.188 876 N C 2.051 177.688 175.510 0.212 0.000 1.024 876 N CA 1.280 54.443 53.050 0.188 0.000 0.852 876 N CB -0.300 38.237 38.487 0.083 0.000 1.003 876 N HN 0.646 nan 8.380 nan 0.000 0.424 877 A N 1.931 124.840 122.820 0.149 0.000 1.851 877 A HA -0.204 4.116 4.320 -0.001 0.000 0.216 877 A C 2.271 179.942 177.584 0.145 0.000 1.195 877 A CA 1.407 53.520 52.037 0.128 0.000 0.622 877 A CB -0.744 18.303 19.000 0.079 0.000 0.831 877 A HN 0.169 nan 8.150 nan 0.000 0.444 878 M N -1.876 117.780 119.600 0.093 0.000 2.163 878 M HA -0.218 4.261 4.480 -0.001 0.000 0.258 878 M C 2.068 178.363 176.300 -0.009 0.000 1.071 878 M CA 2.204 57.492 55.300 -0.021 0.000 1.093 878 M CB -0.544 31.982 32.600 -0.123 0.000 1.285 878 M HN 0.479 nan 8.290 nan 0.000 0.420 879 F N -1.003 118.956 119.950 0.015 0.000 2.184 879 F HA -0.339 4.187 4.527 -0.001 0.000 0.301 879 F C 2.561 178.378 175.800 0.028 0.000 1.076 879 F CA 1.977 59.993 58.000 0.027 0.000 1.295 879 F CB -0.805 38.240 39.000 0.075 0.000 1.026 879 F HN 0.383 nan 8.300 nan 0.000 0.494 880 H N 0.314 119.474 119.070 0.149 0.000 2.326 880 H HA -0.124 4.432 4.556 -0.001 0.000 0.301 880 H C 1.951 177.274 175.328 -0.009 0.000 1.081 880 H CA 1.487 57.567 56.048 0.053 0.000 1.334 880 H CB -0.063 29.715 29.762 0.026 0.000 1.385 880 H HN 0.181 nan 8.280 nan 0.000 0.504 881 N N 0.397 119.032 118.700 -0.109 0.000 2.104 881 N HA -0.110 4.629 4.740 -0.001 0.000 0.190 881 N C 2.049 177.426 175.510 -0.220 0.000 1.024 881 N CA 1.170 54.101 53.050 -0.198 0.000 0.853 881 N CB -0.743 37.654 38.487 -0.150 0.000 1.008 881 N HN 0.394 nan 8.380 nan 0.000 0.424 882 G N 0.645 109.315 108.800 -0.217 0.000 2.776 882 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.209 882 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.209 882 G C 0.235 175.027 174.900 -0.181 0.000 1.145 882 G CA -0.186 44.744 45.100 -0.284 0.000 0.791 882 G HN 0.110 nan 8.290 nan 0.000 0.530 883 R N -1.540 118.872 120.500 -0.146 0.000 3.641 883 R HA -0.144 4.196 4.340 -0.001 0.000 0.286 883 R C -0.141 176.170 176.300 0.019 0.000 1.153 883 R CA 0.477 56.525 56.100 -0.088 0.000 0.775 883 R CB -2.862 27.394 30.300 -0.074 0.000 1.215 883 R HN 0.309 nan 8.270 nan 0.000 0.474 884 V N 0.548 120.505 119.914 0.073 0.000 2.567 884 V HA 0.379 4.498 4.120 -0.001 0.000 0.289 884 V C 0.880 177.122 176.094 0.246 0.000 1.049 884 V CA -0.645 61.782 62.300 0.212 0.000 0.969 884 V CB 2.290 34.300 31.823 0.313 0.000 0.995 884 V HN -0.009 nan 8.190 nan 0.000 0.471 885 V N 5.372 125.421 119.914 0.225 0.000 2.284 885 V HA 0.400 4.519 4.120 -0.001 0.000 0.274 885 V C -0.376 175.807 176.094 0.149 0.000 1.023 885 V CA -0.323 62.069 62.300 0.155 0.000 0.808 885 V CB 1.460 33.348 31.823 0.109 0.000 1.035 885 V HN 0.597 nan 8.190 nan 0.000 0.445 886 V N 4.619 124.581 119.914 0.081 0.000 2.531 886 V HA 0.409 4.528 4.120 -0.001 0.000 0.301 886 V C -0.201 175.879 176.094 -0.023 0.000 1.034 886 V CA -0.873 61.413 62.300 -0.023 0.000 0.865 886 V CB 2.247 33.923 31.823 -0.245 0.000 0.995 886 V HN 0.977 nan 8.190 nan 0.000 0.424 887 D N 3.520 123.909 120.400 -0.018 0.000 2.398 887 D HA 0.291 4.931 4.640 -0.001 0.000 0.247 887 D C 1.467 177.645 176.300 -0.204 0.000 1.227 887 D CA 0.293 54.209 54.000 -0.140 0.000 0.980 887 D CB 0.920 41.637 40.800 -0.138 0.000 1.106 887 D HN 0.475 nan 8.370 nan 0.000 0.493 888 G N -0.249 108.387 108.800 -0.274 0.000 2.514 888 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.217 888 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.217 888 G C -0.795 174.021 174.900 -0.140 0.000 1.198 888 G CA 0.851 45.833 45.100 -0.196 0.000 0.780 888 G HN 0.512 nan 8.290 nan 0.000 0.565 889 P HA -0.115 nan 4.420 nan 0.000 0.215 889 P C 2.279 179.524 177.300 -0.091 0.000 1.157 889 P CA 2.237 65.279 63.100 -0.096 0.000 0.874 889 P CB -0.224 31.422 31.700 -0.089 0.000 0.790 890 A N -0.766 121.996 122.820 -0.097 0.000 1.859 890 A HA -0.290 4.029 4.320 -0.001 0.000 0.217 890 A C 2.355 179.891 177.584 -0.080 0.000 1.198 890 A CA 2.601 54.587 52.037 -0.085 0.000 0.629 890 A CB -1.725 17.228 19.000 -0.079 0.000 0.830 890 A HN 0.135 nan 8.150 nan 0.000 0.446 891 M N -0.844 118.685 119.600 -0.119 0.000 2.106 891 M HA -0.161 4.318 4.480 -0.001 0.000 0.259 891 M C 1.696 177.966 176.300 -0.051 0.000 1.068 891 M CA 1.520 56.752 55.300 -0.113 0.000 1.100 891 M CB -0.179 32.310 32.600 -0.185 0.000 1.351 891 M HN 0.328 nan 8.290 nan 0.000 0.404 892 L N -0.028 121.158 121.223 -0.061 0.000 2.201 892 L HA -0.140 4.200 4.340 -0.001 0.000 0.212 892 L C 2.494 179.342 176.870 -0.037 0.000 1.105 892 L CA 2.167 56.980 54.840 -0.044 0.000 0.775 892 L CB -2.049 39.979 42.059 -0.052 0.000 0.913 892 L HN 0.505 nan 8.230 nan 0.000 0.440 893 T N -2.445 112.081 114.554 -0.045 0.000 2.869 893 T HA -0.216 4.133 4.350 -0.001 0.000 0.270 893 T C 1.859 176.540 174.700 -0.031 0.000 1.082 893 T CA 0.756 62.825 62.100 -0.050 0.000 1.123 893 T CB -0.619 68.204 68.868 -0.075 0.000 0.856 893 T HN 0.284 nan 8.240 nan 0.000 0.499 894 L N 0.707 121.927 121.223 -0.005 0.000 2.651 894 L HA -0.090 4.249 4.340 -0.001 0.000 0.236 894 L C 2.777 179.641 176.870 -0.010 0.000 1.173 894 L CA 0.864 55.715 54.840 0.020 0.000 0.843 894 L CB -0.763 41.334 42.059 0.063 0.000 0.964 894 L HN 0.442 nan 8.230 nan 0.000 0.454 895 Q N -0.691 119.092 119.800 -0.028 0.000 2.291 895 Q HA -0.126 4.213 4.340 -0.001 0.000 0.205 895 Q C 2.311 178.265 176.000 -0.078 0.000 0.970 895 Q CA 1.012 56.781 55.803 -0.055 0.000 0.876 895 Q CB -0.036 28.677 28.738 -0.041 0.000 0.935 895 Q HN 0.453 nan 8.270 nan 0.000 0.455 896 V N 1.641 121.539 119.914 -0.027 0.000 2.332 896 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 896 V C 2.270 178.346 176.094 -0.030 0.000 1.055 896 V CA 1.577 63.888 62.300 0.019 0.000 1.038 896 V CB -0.819 30.994 31.823 -0.016 0.000 0.651 896 V HN 0.396 nan 8.190 nan 0.000 0.450 897 L N 0.554 121.742 121.223 -0.059 0.000 2.151 897 L HA -0.303 4.037 4.340 -0.001 0.000 0.215 897 L C 2.701 179.410 176.870 -0.267 0.000 1.084 897 L CA 1.852 56.614 54.840 -0.129 0.000 0.764 897 L CB -1.133 40.845 42.059 -0.135 0.000 0.891 897 L HN 0.431 nan 8.230 nan 0.000 0.435 898 A N -1.007 121.647 122.820 -0.278 0.000 1.969 898 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 898 A C 2.057 179.501 177.584 -0.234 0.000 1.169 898 A CA 1.302 53.156 52.037 -0.305 0.000 0.635 898 A CB -0.581 18.211 19.000 -0.346 0.000 0.810 898 A HN 0.436 nan 8.150 nan 0.000 0.445 899 H N -1.014 118.021 119.070 -0.058 0.000 2.372 899 H HA 0.041 4.596 4.556 -0.001 0.000 0.301 899 H C 0.228 175.561 175.328 0.008 0.000 1.065 899 H CA 1.165 57.203 56.048 -0.016 0.000 1.364 899 H CB 0.084 29.848 29.762 0.004 0.000 1.406 899 H HN 0.388 nan 8.280 nan 0.000 0.521 900 N N 1.211 119.995 118.700 0.140 0.000 2.623 900 N HA 0.178 4.917 4.740 -0.001 0.000 0.256 900 N C -0.993 174.559 175.510 0.070 0.000 1.045 900 N CA -0.124 53.015 53.050 0.148 0.000 0.863 900 N CB 0.873 39.510 38.487 0.251 0.000 1.182 900 N HN 0.166 nan 8.380 nan 0.000 0.523 901 M N 0.835 120.416 119.600 -0.031 0.000 2.658 901 M HA 0.821 5.300 4.480 -0.001 0.000 0.295 901 M C -0.867 175.297 176.300 -0.227 0.000 1.248 901 M CA -1.181 54.033 55.300 -0.143 0.000 0.843 901 M CB 2.086 34.601 32.600 -0.140 0.000 1.749 901 M HN 0.155 nan 8.290 nan 0.000 0.464 902 A N 0.938 123.545 122.820 -0.355 0.000 2.304 902 A HA 0.544 4.864 4.320 -0.001 0.000 0.323 902 A C 0.410 177.641 177.584 -0.587 0.000 1.195 902 A CA -0.636 51.150 52.037 -0.420 0.000 0.826 902 A CB 0.596 19.306 19.000 -0.483 0.000 1.184 902 A HN 1.046 nan 8.150 nan 0.000 0.496 903 E N 2.655 122.530 120.200 -0.541 0.000 2.035 903 E HA 0.039 4.389 4.350 -0.001 0.000 0.191 903 E C 0.877 177.132 176.600 -0.576 0.000 0.966 903 E CA 0.016 56.012 56.400 -0.674 0.000 0.823 903 E CB 0.019 29.436 29.700 -0.472 0.000 0.791 903 E HN 0.605 nan 8.360 nan 0.000 0.459 904 R N 1.069 121.380 120.500 -0.314 0.000 2.711 904 R HA 0.212 4.551 4.340 -0.001 0.000 0.284 904 R C -1.176 175.166 176.300 0.070 0.000 0.968 904 R CA -0.344 55.738 56.100 -0.029 0.000 0.924 904 R CB 2.073 32.423 30.300 0.083 0.000 1.162 904 R HN 0.087 nan 8.270 nan 0.000 0.465 905 T N 2.412 117.148 114.554 0.303 0.000 2.747 905 T HA 0.247 4.596 4.350 -0.001 0.000 0.301 905 T C -0.653 174.229 174.700 0.303 0.000 0.952 905 T CA -0.208 62.103 62.100 0.352 0.000 0.983 905 T CB 0.251 69.390 68.868 0.452 0.000 0.930 905 T HN 0.599 nan 8.240 nan 0.000 0.494 906 T N 4.564 119.285 114.554 0.278 0.000 2.837 906 T HA 0.635 4.984 4.350 -0.001 0.000 0.285 906 T C 0.316 175.117 174.700 0.169 0.000 0.984 906 T CA -0.726 61.497 62.100 0.206 0.000 1.049 906 T CB 1.286 70.238 68.868 0.140 0.000 0.947 906 T HN 0.823 nan 8.240 nan 0.000 0.472 907 A N 3.116 126.015 122.820 0.133 0.000 2.362 907 A HA 0.582 4.901 4.320 -0.001 0.000 0.276 907 A C -0.545 177.072 177.584 0.054 0.000 1.153 907 A CA -0.443 51.651 52.037 0.095 0.000 0.813 907 A CB -0.183 18.865 19.000 0.080 0.000 1.081 907 A HN 0.617 nan 8.150 nan 0.000 0.507 908 L N 2.966 124.218 121.223 0.048 0.000 2.325 908 L HA 0.535 4.874 4.340 -0.001 0.000 0.281 908 L C -0.723 176.150 176.870 0.007 0.000 1.004 908 L CA -0.378 54.478 54.840 0.027 0.000 0.823 908 L CB 1.576 43.660 42.059 0.043 0.000 1.236 908 L HN 0.657 nan 8.230 nan 0.000 0.415 909 L N 5.890 127.095 121.223 -0.029 0.000 2.318 909 L HA 0.628 4.968 4.340 -0.001 0.000 0.277 909 L C -0.311 176.533 176.870 -0.044 0.000 1.008 909 L CA -0.196 54.601 54.840 -0.071 0.000 0.846 909 L CB 0.728 42.684 42.059 -0.172 0.000 1.220 909 L HN 0.795 nan 8.230 nan 0.000 0.423 910 C N 1.857 121.168 119.300 0.019 0.000 2.531 910 C HA 1.062 5.521 4.460 -0.001 0.000 0.369 910 C C 0.299 175.384 174.990 0.158 0.000 1.258 910 C CA -0.041 59.018 59.018 0.067 0.000 1.876 910 C CB 0.983 28.769 27.740 0.077 0.000 2.256 910 C HN 1.034 nan 8.230 nan 0.000 0.510 911 S N -0.645 115.169 115.700 0.191 0.000 2.643 911 S HA 0.884 5.353 4.470 -0.001 0.000 0.266 911 S C -0.957 173.751 174.600 0.180 0.000 1.130 911 S CA 0.026 58.399 58.200 0.289 0.000 0.817 911 S CB 0.756 64.325 63.200 0.615 0.000 1.107 911 S HN 2.869 nan 8.310 nan 0.000 0.471 912 A N -0.093 122.811 122.820 0.140 0.000 2.481 912 A HA 0.844 5.164 4.320 -0.001 0.000 0.295 912 A C -0.531 177.095 177.584 0.070 0.000 0.986 912 A CA -0.413 51.683 52.037 0.098 0.000 0.617 912 A CB -0.232 18.825 19.000 0.095 0.000 1.364 912 A HN 2.344 nan 8.150 nan 0.000 0.452 913 A N 0.782 123.647 122.820 0.074 0.000 2.302 913 A HA 0.798 5.117 4.320 -0.001 0.000 0.285 913 A C -2.430 175.213 177.584 0.098 0.000 1.105 913 A CA -1.435 50.643 52.037 0.069 0.000 0.816 913 A CB -0.530 18.506 19.000 0.061 0.000 1.067 913 A HN 0.552 nan 8.150 nan 0.000 0.489 914 P HA -0.024 nan 4.420 nan 0.000 0.269 914 P C -0.067 177.287 177.300 0.091 0.000 1.211 914 P CA 0.166 63.354 63.100 0.147 0.000 0.781 914 P CB 0.567 32.309 31.700 0.070 0.000 0.877 915 D N 1.456 121.931 120.400 0.124 0.000 2.089 915 D HA -0.074 4.565 4.640 -0.001 0.000 0.246 915 D C 0.899 177.187 176.300 -0.020 0.000 1.015 915 D CA 0.557 54.611 54.000 0.090 0.000 0.917 915 D CB -1.183 39.699 40.800 0.138 0.000 1.015 915 D HN 0.285 nan 8.370 nan 0.000 0.425 916 A N 0.161 122.970 122.820 -0.018 0.000 2.305 916 A HA 0.440 4.760 4.320 -0.001 0.000 0.236 916 A C 0.828 178.303 177.584 -0.182 0.000 1.392 916 A CA 0.293 52.289 52.037 -0.068 0.000 1.205 916 A CB -1.300 17.705 19.000 0.009 0.000 0.881 916 A HN 0.471 nan 8.150 nan 0.000 0.558 917 G N -1.634 107.024 108.800 -0.237 0.000 2.938 917 G HA2 0.540 4.499 3.960 -0.001 0.000 0.308 917 G HA3 0.540 4.499 3.960 -0.001 0.000 0.308 917 G C 0.212 174.996 174.900 -0.194 0.000 1.422 917 G CA 0.451 45.350 45.100 -0.336 0.000 1.071 917 G HN 0.696 nan 8.290 nan 0.000 0.530 918 A N 2.595 125.325 122.820 -0.150 0.000 2.295 918 A HA 0.227 4.546 4.320 -0.001 0.000 0.193 918 A C 1.507 179.039 177.584 -0.087 0.000 1.512 918 A CA 0.348 52.326 52.037 -0.099 0.000 1.103 918 A CB 0.173 19.118 19.000 -0.091 0.000 1.331 918 A HN 0.508 nan 8.150 nan 0.000 0.501 919 N N 0.545 119.186 118.700 -0.099 0.000 2.446 919 N HA -0.003 4.737 4.740 -0.001 0.000 0.179 919 N C -0.029 175.434 175.510 -0.079 0.000 1.054 919 N CA 1.147 54.149 53.050 -0.079 0.000 0.905 919 N CB -0.040 38.402 38.487 -0.075 0.000 0.973 919 N HN 0.217 nan 8.380 nan 0.000 0.448 920 T N 0.932 115.421 114.554 -0.108 0.000 2.775 920 T HA 0.594 4.944 4.350 -0.001 0.000 0.287 920 T C -0.210 174.456 174.700 -0.057 0.000 0.909 920 T CA -0.084 61.968 62.100 -0.080 0.000 1.081 920 T CB 0.529 69.293 68.868 -0.172 0.000 0.891 920 T HN 0.295 nan 8.240 nan 0.000 0.544 926 M N 2.461 122.086 119.600 0.042 0.000 2.408 926 M HA 0.087 4.567 4.480 -0.001 0.000 0.363 926 M C -0.108 176.195 176.300 0.003 0.000 1.636 926 M CA 0.887 56.216 55.300 0.049 0.000 1.029 926 M CB -0.306 32.297 32.600 0.006 0.000 2.068 926 M HN 0.122 nan 8.290 nan 0.000 0.466 927 R N 3.368 123.826 120.500 -0.070 0.000 2.643 927 R HA 0.645 4.985 4.340 -0.001 0.000 0.272 927 R C -0.521 175.587 176.300 -0.320 0.000 0.995 927 R CA -0.871 55.134 56.100 -0.159 0.000 1.032 927 R CB 1.072 31.285 30.300 -0.145 0.000 1.126 927 R HN 0.621 nan 8.270 nan 0.000 0.505 928 I N 2.395 122.865 120.570 -0.166 0.000 2.496 928 I HA 0.140 4.310 4.170 -0.001 0.000 0.285 928 I C -0.566 175.513 176.117 -0.063 0.000 1.080 928 I CA 0.191 61.439 61.300 -0.088 0.000 1.404 928 I CB 0.323 38.336 38.000 0.022 0.000 1.403 928 I HN 0.204 nan 8.210 nan 0.000 0.539 929 F N 3.834 123.874 119.950 0.150 0.000 2.495 929 F HA 0.505 5.032 4.527 -0.001 0.000 0.327 929 F C -0.020 175.804 175.800 0.040 0.000 1.103 929 F CA -1.153 56.874 58.000 0.046 0.000 0.949 929 F CB 1.409 40.366 39.000 -0.072 0.000 1.142 929 F HN 0.362 nan 8.300 nan 0.000 0.457 930 D N 0.937 121.490 120.400 0.255 0.000 2.934 930 D HA 0.441 5.081 4.640 -0.001 0.000 0.230 930 D C -0.074 176.300 176.300 0.123 0.000 1.204 930 D CA -0.377 53.726 54.000 0.173 0.000 0.873 930 D CB 2.609 43.499 40.800 0.150 0.000 1.645 930 D HN 0.695 nan 8.370 nan 0.000 0.502 931 G N -0.058 108.822 108.800 0.133 0.000 2.531 931 G HA2 0.800 4.759 3.960 -0.001 0.000 0.313 931 G HA3 0.800 4.759 3.960 -0.001 0.000 0.313 931 G C -0.944 174.036 174.900 0.134 0.000 1.238 931 G CA -0.477 44.682 45.100 0.099 0.000 0.994 931 G HN 0.649 nan 8.290 nan 0.000 0.493 932 A N -1.148 121.733 122.820 0.102 0.000 2.574 932 A HA 0.516 4.836 4.320 -0.001 0.000 0.298 932 A C -1.522 176.096 177.584 0.058 0.000 0.987 932 A CA -0.637 51.450 52.037 0.084 0.000 0.678 932 A CB 0.252 19.293 19.000 0.068 0.000 1.296 932 A HN 0.786 nan 8.150 nan 0.000 0.420 933 L N 1.990 123.224 121.223 0.017 0.000 2.329 933 L HA 0.464 4.803 4.340 -0.001 0.000 0.279 933 L C 1.225 178.089 176.870 -0.010 0.000 1.014 933 L CA -0.858 53.993 54.840 0.018 0.000 0.814 933 L CB 1.777 43.827 42.059 -0.016 0.000 1.257 933 L HN 1.102 nan 8.230 nan 0.000 0.424 934 H N 3.527 122.570 119.070 -0.045 0.000 2.435 934 H HA 0.105 4.661 4.556 -0.001 0.000 0.309 934 H C 0.775 176.024 175.328 -0.132 0.000 1.041 934 H CA 1.456 57.481 56.048 -0.039 0.000 1.277 934 H CB 0.308 30.097 29.762 0.046 0.000 1.455 934 H HN 0.603 nan 8.280 nan 0.000 0.581 935 A N 0.755 123.503 122.820 -0.121 0.000 2.923 935 A HA 0.553 4.873 4.320 -0.001 0.000 0.306 935 A C 0.313 177.837 177.584 -0.100 0.000 1.542 935 A CA 0.329 52.294 52.037 -0.120 0.000 1.225 935 A CB -0.960 18.209 19.000 0.283 0.000 1.147 935 A HN 0.675 nan 8.150 nan 0.000 0.542 936 G N 1.021 109.497 108.800 -0.540 0.000 2.680 936 G HA2 0.692 4.652 3.960 -0.001 0.000 0.290 936 G HA3 0.692 4.652 3.960 -0.001 0.000 0.290 936 G C -0.642 174.054 174.900 -0.341 0.000 1.355 936 G CA -0.483 44.455 45.100 -0.270 0.000 0.903 936 G HN 0.906 nan 8.290 nan 0.000 0.474 937 I N -1.276 119.197 120.570 -0.161 0.000 2.969 937 I HA 0.728 4.898 4.170 -0.001 0.000 0.307 937 I C -1.811 174.244 176.117 -0.102 0.000 1.149 937 I CA -1.433 59.817 61.300 -0.083 0.000 1.008 937 I CB 1.918 39.932 38.000 0.023 0.000 1.232 937 I HN 0.500 nan 8.210 nan 0.000 0.435 938 L N 4.546 125.743 121.223 -0.044 0.000 2.268 938 L HA 0.424 4.763 4.340 -0.001 0.000 0.289 938 L C -0.901 175.983 176.870 0.024 0.000 1.064 938 L CA -0.245 54.561 54.840 -0.056 0.000 0.824 938 L CB 0.246 42.236 42.059 -0.116 0.000 1.202 938 L HN 0.505 nan 8.230 nan 0.000 0.433 939 L N 7.054 128.275 121.223 -0.004 0.000 2.515 939 L HA 0.157 4.497 4.340 -0.001 0.000 0.281 939 L C 1.309 178.295 176.870 0.193 0.000 1.131 939 L CA 0.773 55.597 54.840 -0.026 0.000 0.905 939 L CB 0.194 42.052 42.059 -0.336 0.000 1.246 939 L HN 0.772 nan 8.230 nan 0.000 0.463 940 M N 1.538 121.243 119.600 0.175 0.000 2.479 940 M HA -0.092 4.388 4.480 -0.001 0.000 0.269 940 M C 1.135 177.594 176.300 0.264 0.000 1.076 940 M CA 1.765 57.183 55.300 0.197 0.000 1.086 940 M CB -0.321 32.183 32.600 -0.161 0.000 1.230 940 M HN 0.636 nan 8.290 nan 0.000 0.474 941 A N 0.928 123.847 122.820 0.164 0.000 2.252 941 A HA 0.515 4.834 4.320 -0.001 0.000 0.305 941 A C -2.293 175.453 177.584 0.269 0.000 1.097 941 A CA -1.380 50.771 52.037 0.190 0.000 0.849 941 A CB -0.104 18.964 19.000 0.114 0.000 1.142 941 A HN 0.242 nan 8.150 nan 0.000 0.499 942 P HA 0.207 nan 4.420 nan 0.000 0.294 942 P C -0.882 176.470 177.300 0.085 0.000 1.389 942 P CA -0.345 62.916 63.100 0.270 0.000 0.875 942 P CB 1.070 32.980 31.700 0.351 0.000 1.018 943 Q N 1.509 121.308 119.800 -0.002 0.000 2.524 943 Q HA -0.026 4.313 4.340 -0.001 0.000 0.246 943 Q C 0.426 176.474 176.000 0.081 0.000 1.063 943 Q CA 0.254 56.093 55.803 0.060 0.000 0.945 943 Q CB 0.089 28.849 28.738 0.036 0.000 1.292 943 Q HN 0.580 nan 8.270 nan 0.000 0.518 944 H N 0.982 120.092 119.070 0.066 0.000 3.192 944 H HA -0.114 4.442 4.556 -0.001 0.000 0.295 944 H C 0.697 175.985 175.328 -0.066 0.000 0.943 944 H CA -0.047 55.996 56.048 -0.009 0.000 1.416 944 H CB 0.194 29.920 29.762 -0.060 0.000 1.434 944 H HN 0.482 nan 8.280 nan 0.000 0.565 945 L N 3.549 124.369 121.223 -0.671 0.000 2.107 945 L HA -0.344 3.995 4.340 -0.001 0.000 0.242 945 L C 1.922 178.580 176.870 -0.355 0.000 1.115 945 L CA 2.659 57.206 54.840 -0.489 0.000 0.842 945 L CB -0.982 40.796 42.059 -0.468 0.000 0.941 945 L HN 0.901 nan 8.230 nan 0.000 0.448 946 D N -2.105 118.029 120.400 -0.443 0.000 2.676 946 D HA 0.027 4.666 4.640 -0.001 0.000 0.239 946 D C 0.441 176.770 176.300 0.048 0.000 1.213 946 D CA -0.052 53.878 54.000 -0.116 0.000 0.835 946 D CB -0.386 40.387 40.800 -0.045 0.000 1.009 946 D HN 0.318 nan 8.370 nan 0.000 0.479 947 H N -0.621 118.510 119.070 0.103 0.000 2.748 947 H HA 0.286 4.842 4.556 -0.001 0.000 0.315 947 H C 1.681 177.051 175.328 0.071 0.000 1.429 947 H CA 0.026 56.145 56.048 0.118 0.000 1.444 947 H CB 1.159 31.010 29.762 0.148 0.000 1.827 947 H HN 0.063 nan 8.280 nan 0.000 0.754 948 T N -0.982 113.706 114.554 0.223 0.000 2.759 948 T HA -0.143 4.207 4.350 -0.001 0.000 0.269 948 T C 1.771 176.574 174.700 0.171 0.000 1.042 948 T CA 1.952 64.160 62.100 0.179 0.000 1.140 948 T CB -0.325 68.666 68.868 0.205 0.000 0.864 948 T HN 0.399 nan 8.240 nan 0.000 0.455 949 I N 1.365 122.008 120.570 0.120 0.000 2.286 949 I HA 0.080 4.249 4.170 -0.001 0.000 0.245 949 I C 2.602 178.743 176.117 0.041 0.000 1.104 949 I CA 0.967 62.315 61.300 0.079 0.000 1.397 949 I CB -1.495 36.456 38.000 -0.082 0.000 1.072 949 I HN 0.175 nan 8.210 nan 0.000 0.417 950 Q N 1.176 120.990 119.800 0.023 0.000 2.212 950 Q HA -0.069 4.270 4.340 -0.001 0.000 0.199 950 Q C 1.848 177.864 176.000 0.026 0.000 0.950 950 Q CA 1.038 56.836 55.803 -0.007 0.000 0.863 950 Q CB -0.386 28.329 28.738 -0.039 0.000 0.944 950 Q HN 0.511 nan 8.270 nan 0.000 0.465 951 N N -0.177 118.554 118.700 0.052 0.000 2.626 951 N HA -0.032 4.708 4.740 -0.001 0.000 0.193 951 N C 0.519 176.058 175.510 0.048 0.000 1.213 951 N CA 1.049 54.128 53.050 0.048 0.000 0.914 951 N CB -0.351 38.174 38.487 0.064 0.000 0.994 951 N HN 0.437 nan 8.380 nan 0.000 0.447 952 G N -0.258 108.583 108.800 0.069 0.000 2.180 952 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.263 952 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.263 952 G C 0.758 175.683 174.900 0.041 0.000 0.989 952 G CA 0.621 45.775 45.100 0.090 0.000 0.692 952 G HN 0.434 nan 8.290 nan 0.000 0.526 953 D N -0.461 119.938 120.400 -0.001 0.000 2.137 953 D HA -0.141 4.498 4.640 -0.001 0.000 0.193 953 D C 1.951 178.062 176.300 -0.316 0.000 0.993 953 D CA 2.051 55.953 54.000 -0.165 0.000 0.846 953 D CB -0.089 40.628 40.800 -0.139 0.000 0.990 953 D HN 0.567 nan 8.370 nan 0.000 0.448 954 Y N -1.261 118.884 120.300 -0.258 0.000 2.441 954 Y HA 0.201 4.751 4.550 -0.001 0.000 0.288 954 Y C 0.766 176.336 175.900 -0.551 0.000 1.118 954 Y CA -0.018 57.763 58.100 -0.530 0.000 1.215 954 Y CB 0.141 38.006 38.460 -0.991 0.000 1.118 954 Y HN -0.156 nan 8.280 nan 0.000 0.547 955 F N 0.054 120.060 119.950 0.094 0.000 2.480 955 F HA 0.439 4.965 4.527 -0.001 0.000 0.329 955 F C -0.911 174.900 175.800 0.018 0.000 1.091 955 F CA -1.730 56.236 58.000 -0.057 0.000 0.972 955 F CB 1.195 40.103 39.000 -0.154 0.000 1.150 955 F HN -0.198 nan 8.300 nan 0.000 0.467 956 Y N 0.500 120.932 120.300 0.220 0.000 2.350 956 Y HA 0.689 5.239 4.550 -0.001 0.000 0.338 956 Y C -3.220 172.752 175.900 0.119 0.000 0.961 956 Y CA -4.146 54.036 58.100 0.136 0.000 1.100 956 Y CB 0.706 39.237 38.460 0.120 0.000 1.179 956 Y HN 0.281 nan 8.280 nan 0.000 0.454 957 P HA 0.150 nan 4.420 nan 0.000 0.265 957 P C -0.936 176.510 177.300 0.243 0.000 1.193 957 P CA 0.243 63.444 63.100 0.168 0.000 0.765 957 P CB 0.671 32.454 31.700 0.138 0.000 0.823 958 L N 5.235 126.577 121.223 0.197 0.000 2.513 958 L HA 0.351 4.691 4.340 -0.001 0.000 0.256 958 L C -2.845 174.134 176.870 0.182 0.000 1.163 958 L CA -1.505 53.469 54.840 0.224 0.000 0.895 958 L CB 1.522 43.754 42.059 0.289 0.000 1.076 958 L HN 0.169 nan 8.230 nan 0.000 0.491 959 P HA 0.088 nan 4.420 nan 0.000 0.267 959 P C 0.873 178.294 177.300 0.200 0.000 1.209 959 P CA -0.085 63.141 63.100 0.210 0.000 0.763 959 P CB 1.057 32.877 31.700 0.200 0.000 0.816 960 V N 0.186 120.252 119.914 0.253 0.000 3.506 960 V HA 0.185 4.305 4.120 -0.001 0.000 0.263 960 V C 0.595 176.862 176.094 0.289 0.000 1.203 960 V CA 0.937 63.376 62.300 0.232 0.000 1.133 960 V CB -0.885 31.082 31.823 0.240 0.000 0.802 960 V HN 0.586 nan 8.190 nan 0.000 0.459 961 H N -1.193 117.985 119.070 0.181 0.000 3.112 961 H HA 0.537 5.093 4.556 -0.001 0.000 0.347 961 H C 0.917 176.223 175.328 -0.036 0.000 1.188 961 H CA 0.032 56.113 56.048 0.055 0.000 1.240 961 H CB 2.370 32.161 29.762 0.049 0.000 1.920 961 H HN 0.022 nan 8.280 nan 0.000 0.535 962 A N 4.272 126.788 122.820 -0.507 0.000 1.971 962 A HA -0.208 4.112 4.320 -0.001 0.000 0.222 962 A C 2.351 179.879 177.584 -0.094 0.000 1.182 962 A CA 1.922 53.807 52.037 -0.252 0.000 0.649 962 A CB -0.737 18.066 19.000 -0.329 0.000 0.818 962 A HN 0.670 nan 8.150 nan 0.000 0.458 963 L N -2.028 119.203 121.223 0.013 0.000 2.127 963 L HA -0.109 4.230 4.340 -0.001 0.000 0.211 963 L C -0.064 176.622 176.870 -0.307 0.000 1.089 963 L CA 0.783 55.456 54.840 -0.279 0.000 0.757 963 L CB -0.153 41.509 42.059 -0.661 0.000 0.899 963 L HN 0.488 nan 8.230 nan 0.000 0.434 964 F N -1.116 118.933 119.950 0.164 0.000 2.552 964 F HA 0.525 5.052 4.527 -0.001 0.000 0.369 964 F C 0.251 176.095 175.800 0.072 0.000 1.112 964 F CA -0.549 57.504 58.000 0.087 0.000 1.129 964 F CB 0.910 39.969 39.000 0.098 0.000 1.360 964 F HN -0.222 nan 8.300 nan 0.000 0.473 965 A N 1.863 124.778 122.820 0.157 0.000 2.683 965 A HA 0.479 4.799 4.320 -0.001 0.000 0.207 965 A C 0.585 178.162 177.584 -0.012 0.000 0.945 965 A CA -0.268 51.825 52.037 0.095 0.000 1.233 965 A CB -0.640 18.420 19.000 0.101 0.000 1.227 965 A HN 0.849 nan 8.150 nan 0.000 0.470 966 G N 0.355 109.086 108.800 -0.114 0.000 2.227 966 G HA2 0.325 4.285 3.960 -0.001 0.000 0.250 966 G HA3 0.325 4.285 3.960 -0.001 0.000 0.250 966 G C 1.173 175.957 174.900 -0.194 0.000 0.910 966 G CA 0.341 45.292 45.100 -0.247 0.000 0.922 966 G HN 1.436 nan 8.290 nan 0.000 0.385 967 A N 3.079 125.818 122.820 -0.136 0.000 1.849 967 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 967 A C 2.202 179.696 177.584 -0.149 0.000 1.202 967 A CA 2.163 54.127 52.037 -0.122 0.000 0.629 967 A CB -0.538 18.413 19.000 -0.082 0.000 0.834 967 A HN 0.690 nan 8.150 nan 0.000 0.447 968 D N -0.758 119.574 120.400 -0.114 0.000 2.200 968 D HA -0.247 4.393 4.640 -0.001 0.000 0.192 968 D C 1.634 177.965 176.300 0.052 0.000 1.008 968 D CA 2.103 56.078 54.000 -0.041 0.000 0.872 968 D CB -0.740 40.065 40.800 0.009 0.000 0.923 968 D HN 0.817 nan 8.370 nan 0.000 0.447 969 H N -0.146 118.871 119.070 -0.087 0.000 2.326 969 H HA -0.048 4.507 4.556 -0.001 0.000 0.301 969 H C 2.393 177.647 175.328 -0.123 0.000 1.081 969 H CA 0.908 56.909 56.048 -0.078 0.000 1.334 969 H CB 0.245 29.983 29.762 -0.040 0.000 1.385 969 H HN 0.019 nan 8.280 nan 0.000 0.504 970 V N 0.811 120.698 119.914 -0.045 0.000 2.407 970 V HA -0.126 3.994 4.120 -0.001 0.000 0.245 970 V C 2.683 178.381 176.094 -0.661 0.000 1.041 970 V CA 1.275 63.447 62.300 -0.214 0.000 1.040 970 V CB -0.794 30.929 31.823 -0.166 0.000 0.671 970 V HN 0.457 nan 8.190 nan 0.000 0.455 971 A N 0.794 123.162 122.820 -0.752 0.000 1.898 971 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 971 A C 1.828 179.111 177.584 -0.502 0.000 1.181 971 A CA 1.778 53.145 52.037 -1.116 0.000 0.620 971 A CB -0.562 18.157 19.000 -0.467 0.000 0.819 971 A HN 0.569 nan 8.150 nan 0.000 0.442 972 N N 0.384 118.947 118.700 -0.230 0.000 2.362 972 N HA 0.280 5.019 4.740 -0.001 0.000 0.204 972 N C 0.475 175.958 175.510 -0.044 0.000 1.166 972 N CA 0.662 53.662 53.050 -0.084 0.000 0.831 972 N CB -0.184 38.262 38.487 -0.069 0.000 1.008 972 N HN 0.514 nan 8.380 nan 0.000 0.472 973 A N 1.999 124.784 122.820 -0.058 0.000 2.346 973 A HA 0.228 4.547 4.320 -0.001 0.000 0.255 973 A C -0.580 177.053 177.584 0.081 0.000 1.113 973 A CA -0.766 51.286 52.037 0.025 0.000 0.798 973 A CB 0.084 19.110 19.000 0.043 0.000 1.073 973 A HN 0.036 nan 8.150 nan 0.000 0.502 974 P HA -0.118 nan 4.420 nan 0.000 0.210 974 P C 0.069 177.427 177.300 0.096 0.000 1.189 974 P CA 1.145 64.292 63.100 0.078 0.000 0.920 974 P CB -0.128 31.612 31.700 0.067 0.000 0.782 975 N N -0.249 118.516 118.700 0.107 0.000 3.209 975 N HA 0.143 4.882 4.740 -0.001 0.000 0.309 975 N C -0.751 174.843 175.510 0.141 0.000 1.384 975 N CA -0.282 52.825 53.050 0.095 0.000 1.173 975 N CB -0.668 37.856 38.487 0.061 0.000 1.460 975 N HN 0.114 nan 8.380 nan 0.000 0.534 976 F N 2.306 122.257 119.950 0.002 0.000 2.404 976 F HA 0.377 4.904 4.527 -0.001 0.000 0.358 976 F C -1.973 173.818 175.800 -0.015 0.000 1.120 976 F CA -2.611 55.384 58.000 -0.008 0.000 1.144 976 F CB 0.819 39.818 39.000 -0.002 0.000 1.133 976 F HN 0.015 nan 8.300 nan 0.000 0.495 977 P HA -0.003 nan 4.420 nan 0.000 0.255 977 P C -1.935 175.022 177.300 -0.572 0.000 1.173 977 P CA -0.681 62.123 63.100 -0.493 0.000 0.780 977 P CB 0.125 31.550 31.700 -0.458 0.000 0.758 978 P HA -0.240 nan 4.420 nan 0.000 0.222 978 P C 0.982 178.204 177.300 -0.130 0.000 1.142 978 P CA 1.304 64.328 63.100 -0.127 0.000 0.788 978 P CB 0.082 31.752 31.700 -0.051 0.000 0.767 979 A N 0.871 123.585 122.820 -0.176 0.000 1.841 979 A HA -0.110 4.209 4.320 -0.001 0.000 0.214 979 A C 2.348 179.857 177.584 -0.125 0.000 1.195 979 A CA 1.288 53.250 52.037 -0.124 0.000 0.611 979 A CB -1.548 17.381 19.000 -0.118 0.000 0.835 979 A HN 0.165 nan 8.150 nan 0.000 0.443 980 L N -0.657 120.425 121.223 -0.235 0.000 2.450 980 L HA -0.138 4.201 4.340 -0.001 0.000 0.224 980 L C 2.528 179.419 176.870 0.035 0.000 1.149 980 L CA 0.554 55.297 54.840 -0.160 0.000 0.816 980 L CB -0.539 41.341 42.059 -0.299 0.000 0.932 980 L HN 0.364 nan 8.230 nan 0.000 0.449 981 R N 0.455 120.998 120.500 0.071 0.000 2.134 981 R HA -0.218 4.122 4.340 -0.001 0.000 0.248 981 R C 1.819 178.223 176.300 0.175 0.000 1.143 981 R CA 2.033 58.320 56.100 0.312 0.000 0.957 981 R CB -0.558 29.864 30.300 0.203 0.000 0.867 981 R HN 0.510 nan 8.270 nan 0.000 0.441 982 D N 0.890 121.342 120.400 0.087 0.000 2.078 982 D HA -0.185 4.454 4.640 -0.001 0.000 0.193 982 D C 1.975 178.309 176.300 0.056 0.000 0.990 982 D CA 0.814 54.846 54.000 0.054 0.000 0.827 982 D CB -0.479 40.337 40.800 0.026 0.000 0.975 982 D HN 0.084 nan 8.370 nan 0.000 0.451 983 L N 1.954 123.211 121.223 0.058 0.000 1.978 983 L HA -0.236 4.103 4.340 -0.001 0.000 0.218 983 L C 2.469 179.386 176.870 0.078 0.000 1.075 983 L CA 2.626 57.501 54.840 0.058 0.000 0.767 983 L CB -1.278 40.817 42.059 0.060 0.000 0.890 983 L HN 0.075 nan 8.230 nan 0.000 0.434 984 S N -0.531 115.251 115.700 0.137 0.000 2.420 984 S HA -0.211 4.259 4.470 -0.001 0.000 0.237 984 S C 1.915 176.549 174.600 0.056 0.000 1.023 984 S CA 0.613 58.892 58.200 0.132 0.000 0.991 984 S CB -0.645 62.687 63.200 0.220 0.000 0.792 984 S HN 0.422 nan 8.310 nan 0.000 0.488 985 R N 1.981 122.511 120.500 0.051 0.000 2.357 985 R HA 0.003 4.342 4.340 -0.001 0.000 0.202 985 R C 1.313 177.613 176.300 -0.000 0.000 1.047 985 R CA 1.172 57.282 56.100 0.017 0.000 1.034 985 R CB -0.496 29.817 30.300 0.022 0.000 0.875 985 R HN 0.966 nan 8.270 nan 0.000 0.473 986 Q N -2.771 117.029 119.800 0.000 0.000 1.798 986 Q HA 0.150 4.490 4.340 -0.001 0.000 0.173 986 Q C -0.932 175.043 176.000 -0.042 0.000 0.780 986 Q CA -0.184 55.604 55.803 -0.025 0.000 0.866 986 Q CB 0.614 29.333 28.738 -0.031 0.000 1.234 986 Q HN -0.086 nan 8.270 nan 0.000 0.390 987 V N 3.202 123.112 119.914 -0.007 0.000 2.509 987 V HA 0.400 4.520 4.120 -0.001 0.000 0.289 987 V C -2.442 173.704 176.094 0.086 0.000 1.026 987 V CA -1.723 60.575 62.300 -0.003 0.000 0.872 987 V CB 1.704 33.540 31.823 0.021 0.000 1.017 987 V HN 0.139 nan 8.190 nan 0.000 0.436 988 P HA -0.013 nan 4.420 nan 0.000 0.259 988 P C -0.087 177.369 177.300 0.260 0.000 1.163 988 P CA 0.112 63.277 63.100 0.108 0.000 0.760 988 P CB 0.789 32.517 31.700 0.046 0.000 0.762 989 L N 4.135 125.524 121.223 0.277 0.000 2.928 989 L HA 0.119 4.459 4.340 -0.001 0.000 0.236 989 L C 0.562 177.748 176.870 0.528 0.000 1.290 989 L CA -0.438 54.665 54.840 0.438 0.000 1.099 989 L CB -0.622 41.592 42.059 0.258 0.000 1.437 989 L HN 0.112 nan 8.230 nan 0.000 0.493 990 V N 2.699 122.826 119.914 0.354 0.000 2.434 990 V HA 0.034 4.154 4.120 -0.001 0.000 0.281 990 V C -1.654 174.471 176.094 0.052 0.000 1.005 990 V CA -0.925 61.488 62.300 0.189 0.000 1.089 990 V CB 0.011 31.854 31.823 0.032 0.000 0.978 990 V HN 0.294 nan 8.190 nan 0.000 0.474 991 P HA -0.016 nan 4.420 nan 0.000 0.259 991 P C -1.601 175.269 177.300 -0.717 0.000 1.163 991 P CA -0.725 61.898 63.100 -0.795 0.000 0.760 991 P CB 0.100 31.620 31.700 -0.300 0.000 0.762 992 P HA -0.232 nan 4.420 nan 0.000 0.222 992 P C 0.914 177.932 177.300 -0.470 0.000 1.142 992 P CA 1.479 64.190 63.100 -0.649 0.000 0.788 992 P CB -0.172 31.062 31.700 -0.777 0.000 0.767 993 A N -0.495 122.070 122.820 -0.424 0.000 2.066 993 A HA -0.013 4.306 4.320 -0.001 0.000 0.218 993 A C 2.108 179.540 177.584 -0.253 0.000 1.157 993 A CA 0.847 52.709 52.037 -0.291 0.000 0.670 993 A CB -1.137 17.745 19.000 -0.196 0.000 0.804 993 A HN 0.206 nan 8.150 nan 0.000 0.453 994 L N -1.242 119.845 121.223 -0.228 0.000 2.667 994 L HA 0.415 4.754 4.340 -0.001 0.000 0.232 994 L C 0.894 177.686 176.870 -0.131 0.000 1.138 994 L CA 0.446 55.205 54.840 -0.135 0.000 0.921 994 L CB 0.169 42.197 42.059 -0.051 0.000 1.180 994 L HN 0.534 nan 8.230 nan 0.000 0.487 995 G N -0.157 108.512 108.800 -0.218 0.000 2.392 995 G HA2 0.307 4.266 3.960 -0.001 0.000 0.677 995 G HA3 0.307 4.266 3.960 -0.001 0.000 0.677 995 G C -1.495 173.280 174.900 -0.209 0.000 1.334 995 G CA -0.453 44.544 45.100 -0.172 0.000 0.961 995 G HN 0.201 nan 8.290 nan 0.000 0.616 996 A N 0.034 122.743 122.820 -0.185 0.000 2.401 996 A HA 0.802 5.122 4.320 -0.001 0.000 0.310 996 A C 1.134 178.562 177.584 -0.260 0.000 1.075 996 A CA 0.416 52.298 52.037 -0.259 0.000 0.746 996 A CB 1.644 20.494 19.000 -0.251 0.000 1.277 996 A HN 1.310 nan 8.150 nan 0.000 0.425 997 N N 0.852 119.198 118.700 -0.591 0.000 2.060 997 N HA -0.227 4.512 4.740 -0.001 0.000 0.195 997 N C 0.930 176.125 175.510 -0.525 0.000 1.028 997 N CA 2.178 54.805 53.050 -0.706 0.000 0.861 997 N CB -0.301 37.377 38.487 -1.350 0.000 1.029 997 N HN 0.818 nan 8.380 nan 0.000 0.428 998 Y N -1.201 118.813 120.300 -0.477 0.000 2.688 998 Y HA -0.075 4.475 4.550 -0.001 0.000 0.311 998 Y C 0.692 176.335 175.900 -0.428 0.000 1.185 998 Y CA 0.040 57.827 58.100 -0.522 0.000 1.336 998 Y CB -0.021 37.734 38.460 -1.174 0.000 1.015 998 Y HN 0.077 nan 8.280 nan 0.000 0.522 999 F N -2.764 117.096 119.950 -0.150 0.000 2.880 999 F HA 0.161 4.687 4.527 -0.001 0.000 0.346 999 F C 1.009 176.764 175.800 -0.075 0.000 1.054 999 F CA -0.644 57.301 58.000 -0.092 0.000 1.151 999 F CB -0.258 38.702 39.000 -0.067 0.000 1.066 999 F HN -0.398 nan 8.300 nan 0.000 0.566 1000 S N 0.687 116.442 115.700 0.092 0.000 2.552 1000 S HA -0.019 4.450 4.470 -0.001 0.000 0.289 1000 S C 1.405 176.003 174.600 -0.004 0.000 1.304 1000 S CA 0.043 58.282 58.200 0.065 0.000 1.063 1000 S CB 0.949 64.177 63.200 0.047 0.000 0.848 1000 S HN 0.177 nan 8.310 nan 0.000 0.499 1001 S N 1.641 117.332 115.700 -0.016 0.000 2.584 1001 S HA 0.034 4.503 4.470 -0.001 0.000 0.240 1001 S C 0.544 175.055 174.600 -0.149 0.000 0.975 1001 S CA 0.421 58.559 58.200 -0.103 0.000 0.949 1001 S CB -0.588 62.553 63.200 -0.099 0.000 0.761 1001 S HN 0.690 nan 8.310 nan 0.000 0.536 1002 I N 1.793 122.314 120.570 -0.082 0.000 2.608 1002 I HA 0.257 4.427 4.170 -0.001 0.000 0.280 1002 I C -0.727 175.397 176.117 0.011 0.000 1.186 1002 I CA -0.714 60.530 61.300 -0.092 0.000 1.081 1002 I CB 0.793 38.711 38.000 -0.137 0.000 1.272 1002 I HN -0.036 nan 8.210 nan 0.000 0.460 1003 R N 4.178 124.629 120.500 -0.083 0.000 2.527 1003 R HA 0.377 4.717 4.340 -0.001 0.000 0.243 1003 R C 0.671 176.931 176.300 -0.068 0.000 1.206 1003 R CA -0.691 55.348 56.100 -0.102 0.000 1.134 1003 R CB 0.150 30.370 30.300 -0.134 0.000 1.347 1003 R HN 0.586 nan 8.270 nan 0.000 0.580 1004 Q N 0.677 120.443 119.800 -0.057 0.000 2.103 1004 Q HA -0.182 4.158 4.340 -0.001 0.000 0.213 1004 Q C -1.047 174.958 176.000 0.008 0.000 1.008 1004 Q CA 2.635 58.445 55.803 0.012 0.000 0.879 1004 Q CB -1.669 27.142 28.738 0.121 0.000 0.946 1004 Q HN 0.486 nan 8.270 nan 0.000 0.413 1005 P HA -0.260 nan 4.420 nan 0.000 0.218 1005 P C 1.327 178.637 177.300 0.015 0.000 1.165 1005 P CA 2.092 65.196 63.100 0.007 0.000 0.922 1005 P CB -0.202 31.492 31.700 -0.011 0.000 0.794 1006 V N -0.635 119.266 119.914 -0.021 0.000 2.231 1006 V HA -0.269 3.851 4.120 -0.001 0.000 0.248 1006 V C 2.469 178.567 176.094 0.007 0.000 1.054 1006 V CA 2.247 64.536 62.300 -0.019 0.000 1.015 1006 V CB -1.479 30.269 31.823 -0.125 0.000 0.638 1006 V HN -0.041 nan 8.190 nan 0.000 0.444 1007 V N -0.392 119.517 119.914 -0.008 0.000 2.215 1007 V HA -0.398 3.722 4.120 -0.001 0.000 0.249 1007 V C 2.496 178.589 176.094 -0.002 0.000 1.054 1007 V CA 2.589 64.878 62.300 -0.018 0.000 1.012 1007 V CB -0.967 30.844 31.823 -0.021 0.000 0.639 1007 V HN 0.579 nan 8.190 nan 0.000 0.448 1008 Q N -0.362 119.446 119.800 0.013 0.000 2.156 1008 Q HA -0.288 4.052 4.340 -0.001 0.000 0.211 1008 Q C 2.062 178.105 176.000 0.072 0.000 0.995 1008 Q CA 2.609 58.426 55.803 0.024 0.000 0.877 1008 Q CB -0.809 27.941 28.738 0.019 0.000 0.920 1008 Q HN 0.868 nan 8.270 nan 0.000 0.416 1009 H N -1.362 117.681 119.070 -0.044 0.000 2.280 1009 H HA -0.165 4.391 4.556 -0.001 0.000 0.294 1009 H C 1.820 177.118 175.328 -0.050 0.000 1.064 1009 H CA 2.166 58.185 56.048 -0.048 0.000 1.208 1009 H CB -0.141 29.583 29.762 -0.064 0.000 1.365 1009 H HN 0.146 nan 8.280 nan 0.000 0.511 1010 V N 1.162 121.001 119.914 -0.125 0.000 2.226 1010 V HA -0.412 3.708 4.120 -0.001 0.000 0.254 1010 V C 2.667 178.717 176.094 -0.075 0.000 1.065 1010 V CA 2.579 64.754 62.300 -0.210 0.000 1.039 1010 V CB -0.851 30.860 31.823 -0.188 0.000 0.653 1010 V HN 0.499 nan 8.190 nan 0.000 0.450 1011 R N 0.329 120.802 120.500 -0.044 0.000 2.165 1011 R HA -0.274 4.065 4.340 -0.001 0.000 0.254 1011 R C 2.240 178.533 176.300 -0.010 0.000 1.153 1011 R CA 2.325 58.407 56.100 -0.030 0.000 0.971 1011 R CB -0.382 29.904 30.300 -0.023 0.000 0.878 1011 R HN 0.907 nan 8.270 nan 0.000 0.449 1012 E N -0.257 119.955 120.200 0.020 0.000 2.460 1012 E HA 0.079 4.428 4.350 -0.001 0.000 0.200 1012 E C 0.309 176.935 176.600 0.043 0.000 1.011 1012 E CA -0.126 56.289 56.400 0.025 0.000 0.912 1012 E CB 0.260 29.974 29.700 0.023 0.000 0.953 1012 E HN -0.004 nan 8.360 nan 0.000 0.494 1013 S N 0.571 116.326 115.700 0.093 0.000 2.559 1013 S HA 0.195 4.665 4.470 -0.001 0.000 0.282 1013 S C 0.247 174.867 174.600 0.033 0.000 1.336 1013 S CA 0.361 58.629 58.200 0.113 0.000 1.037 1013 S CB 0.862 64.160 63.200 0.165 0.000 0.853 1013 S HN 0.422 nan 8.310 nan 0.000 0.523 1014 A N 3.039 125.876 122.820 0.028 0.000 3.253 1014 A HA 0.694 5.014 4.320 -0.001 0.000 0.290 1014 A C -0.017 177.568 177.584 0.001 0.000 0.950 1014 A CA -0.020 52.020 52.037 0.005 0.000 0.986 1014 A CB -0.187 18.817 19.000 0.006 0.000 1.104 1014 A HN 1.191 nan 8.150 nan 0.000 0.481 1015 A N -0.245 122.570 122.820 -0.009 0.000 2.354 1015 A HA 0.854 5.174 4.320 -0.001 0.000 0.321 1015 A C 0.631 178.190 177.584 -0.042 0.000 1.125 1015 A CA -0.102 51.928 52.037 -0.012 0.000 0.799 1015 A CB 0.654 19.657 19.000 0.004 0.000 1.293 1015 A HN 1.295 nan 8.150 nan 0.000 0.452 1016 G N -0.352 108.429 108.800 -0.032 0.000 2.614 1016 G HA2 0.345 4.304 3.960 -0.001 0.000 0.239 1016 G HA3 0.345 4.304 3.960 -0.001 0.000 0.239 1016 G C 0.341 175.177 174.900 -0.106 0.000 1.240 1016 G CA 0.148 45.218 45.100 -0.050 0.000 0.842 1016 G HN 0.785 nan 8.290 nan 0.000 0.584 1017 E N 0.785 120.879 120.200 -0.178 0.000 2.038 1017 E HA -0.165 4.184 4.350 -0.001 0.000 0.195 1017 E C 2.409 178.840 176.600 -0.283 0.000 1.000 1017 E CA 1.746 57.933 56.400 -0.355 0.000 0.803 1017 E CB -0.270 29.064 29.700 -0.610 0.000 0.750 1017 E HN 0.706 nan 8.360 nan 0.000 0.448 1018 N N -0.035 118.565 118.700 -0.167 0.000 2.037 1018 N HA -0.280 4.460 4.740 -0.001 0.000 0.196 1018 N C 1.619 177.171 175.510 0.070 0.000 1.034 1018 N CA 1.730 54.763 53.050 -0.029 0.000 0.861 1018 N CB -0.248 38.294 38.487 0.091 0.000 1.039 1018 N HN 0.228 nan 8.380 nan 0.000 0.427 1019 A N 1.017 123.882 122.820 0.075 0.000 1.824 1019 A HA -0.122 4.197 4.320 -0.001 0.000 0.215 1019 A C 2.080 179.704 177.584 0.066 0.000 1.209 1019 A CA 1.328 53.437 52.037 0.120 0.000 0.614 1019 A CB -1.192 17.845 19.000 0.061 0.000 0.852 1019 A HN 0.311 nan 8.150 nan 0.000 0.447 1020 L N 0.186 121.394 121.223 -0.025 0.000 2.283 1020 L HA -0.190 4.149 4.340 -0.001 0.000 0.217 1020 L C 2.169 178.972 176.870 -0.111 0.000 1.104 1020 L CA 2.801 57.596 54.840 -0.076 0.000 0.772 1020 L CB -1.193 40.772 42.059 -0.156 0.000 0.899 1020 L HN 0.456 nan 8.230 nan 0.000 0.439 1021 T N -1.343 113.128 114.554 -0.139 0.000 2.643 1021 T HA -0.171 4.178 4.350 -0.001 0.000 0.256 1021 T C 1.626 176.273 174.700 -0.087 0.000 1.061 1021 T CA 1.917 63.908 62.100 -0.182 0.000 1.163 1021 T CB -0.593 68.147 68.868 -0.213 0.000 0.865 1021 T HN 0.424 nan 8.240 nan 0.000 0.407 1022 Y N 1.642 121.977 120.300 0.058 0.000 2.193 1022 Y HA -0.158 4.392 4.550 -0.001 0.000 0.285 1022 Y C 2.754 178.700 175.900 0.076 0.000 1.166 1022 Y CA 0.650 58.786 58.100 0.060 0.000 1.181 1022 Y CB -0.622 37.870 38.460 0.053 0.000 0.976 1022 Y HN 0.227 nan 8.280 nan 0.000 0.520 1023 A N 0.543 123.482 122.820 0.197 0.000 1.859 1023 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 1023 A C 2.167 179.841 177.584 0.150 0.000 1.209 1023 A CA 2.218 54.336 52.037 0.135 0.000 0.639 1023 A CB -1.230 17.846 19.000 0.127 0.000 0.835 1023 A HN 0.424 nan 8.150 nan 0.000 0.450 1024 L N -1.979 119.317 121.223 0.122 0.000 1.989 1024 L HA -0.234 4.105 4.340 -0.001 0.000 0.211 1024 L C 2.719 179.825 176.870 0.394 0.000 1.071 1024 L CA 2.043 56.994 54.840 0.185 0.000 0.749 1024 L CB -0.493 41.667 42.059 0.169 0.000 0.890 1024 L HN 0.476 nan 8.230 nan 0.000 0.431 1025 M N -0.366 119.411 119.600 0.295 0.000 2.143 1025 M HA -0.245 4.235 4.480 -0.001 0.000 0.258 1025 M C 2.135 178.676 176.300 0.401 0.000 1.071 1025 M CA 2.034 57.510 55.300 0.293 0.000 1.088 1025 M CB -0.635 32.046 32.600 0.135 0.000 1.360 1025 M HN 0.276 nan 8.290 nan 0.000 0.404 1026 A N -0.933 122.116 122.820 0.381 0.000 1.840 1026 A HA 0.111 4.431 4.320 -0.001 0.000 0.214 1026 A C 2.382 180.184 177.584 0.363 0.000 1.198 1026 A CA 1.575 53.905 52.037 0.489 0.000 0.608 1026 A CB -1.790 17.381 19.000 0.284 0.000 0.839 1026 A HN 0.556 nan 8.150 nan 0.000 0.443 1027 G N -1.730 107.147 108.800 0.129 0.000 2.581 1027 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.223 1027 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.223 1027 G C 1.153 175.928 174.900 -0.210 0.000 1.094 1027 G CA 1.265 46.326 45.100 -0.064 0.000 0.736 1027 G HN 0.585 nan 8.290 nan 0.000 0.588 1028 Y N -0.543 119.708 120.300 -0.081 0.000 2.553 1028 Y HA 0.338 4.887 4.550 -0.001 0.000 0.303 1028 Y C 0.749 176.179 175.900 -0.784 0.000 1.194 1028 Y CA -0.912 56.983 58.100 -0.340 0.000 1.305 1028 Y CB -0.354 37.971 38.460 -0.225 0.000 1.045 1028 Y HN 0.039 nan 8.280 nan 0.000 0.514 1029 F N 0.566 120.288 119.950 -0.380 0.000 2.406 1029 F HA 0.176 4.703 4.527 -0.001 0.000 0.327 1029 F C 1.094 176.772 175.800 -0.203 0.000 1.153 1029 F CA -0.629 57.168 58.000 -0.339 0.000 1.218 1029 F CB 0.580 39.546 39.000 -0.056 0.000 1.215 1029 F HN -0.203 nan 8.300 nan 0.000 0.570 1030 K N 1.086 121.569 120.400 0.137 0.000 2.332 1030 K HA 0.256 4.576 4.320 -0.001 0.000 0.246 1030 K C 0.552 177.240 176.600 0.148 0.000 1.066 1030 K CA -0.076 56.271 56.287 0.100 0.000 0.898 1030 K CB 0.517 33.130 32.500 0.188 0.000 1.192 1030 K HN 0.641 nan 8.250 nan 0.000 0.509 1031 I N -0.082 120.611 120.570 0.204 0.000 4.779 1031 I HA -0.089 4.080 4.170 -0.001 0.000 0.339 1031 I C 0.428 176.769 176.117 0.372 0.000 1.293 1031 I CA 0.110 61.558 61.300 0.247 0.000 1.324 1031 I CB 0.695 38.777 38.000 0.135 0.000 1.424 1031 I HN 0.589 nan 8.210 nan 0.000 0.489 1032 S N 2.483 118.456 115.700 0.456 0.000 2.569 1032 S HA 0.109 4.578 4.470 -0.001 0.000 0.274 1032 S C -1.115 173.590 174.600 0.176 0.000 1.353 1032 S CA -0.806 57.546 58.200 0.254 0.000 1.023 1032 S CB 0.300 63.602 63.200 0.170 0.000 0.876 1032 S HN 0.057 nan 8.310 nan 0.000 0.540 1033 P HA -0.165 nan 4.420 nan 0.000 0.214 1033 P C 1.651 179.030 177.300 0.132 0.000 1.163 1033 P CA 1.448 64.600 63.100 0.087 0.000 0.889 1033 P CB -0.460 31.260 31.700 0.033 0.000 0.790 1034 V N 1.108 121.109 119.914 0.145 0.000 2.282 1034 V HA -0.288 3.832 4.120 -0.001 0.000 0.249 1034 V C 2.955 179.248 176.094 0.332 0.000 1.057 1034 V CA 2.407 64.843 62.300 0.226 0.000 1.032 1034 V CB -2.060 29.902 31.823 0.232 0.000 0.645 1034 V HN 0.138 nan 8.190 nan 0.000 0.447 1035 A N 0.303 123.305 122.820 0.304 0.000 1.859 1035 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 1035 A C 2.208 179.953 177.584 0.269 0.000 1.198 1035 A CA 2.109 54.338 52.037 0.320 0.000 0.629 1035 A CB -0.727 18.441 19.000 0.281 0.000 0.830 1035 A HN 0.399 nan 8.150 nan 0.000 0.446 1036 L N -0.606 120.741 121.223 0.205 0.000 2.079 1036 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 1036 L C 2.417 179.371 176.870 0.141 0.000 1.081 1036 L CA 2.517 57.439 54.840 0.138 0.000 0.752 1036 L CB -1.779 40.327 42.059 0.079 0.000 0.896 1036 L HN 0.745 nan 8.230 nan 0.000 0.433 1037 H N -0.230 118.864 119.070 0.040 0.000 2.253 1037 H HA -0.185 4.371 4.556 -0.001 0.000 0.296 1037 H C 2.345 177.654 175.328 -0.031 0.000 1.074 1037 H CA 2.229 58.254 56.048 -0.039 0.000 1.263 1037 H CB -0.226 29.466 29.762 -0.117 0.000 1.363 1037 H HN 0.339 nan 8.280 nan 0.000 0.489 1038 H N 0.505 119.476 119.070 -0.164 0.000 2.253 1038 H HA -0.136 4.419 4.556 -0.001 0.000 0.296 1038 H C 2.370 177.643 175.328 -0.093 0.000 1.074 1038 H CA 1.794 57.731 56.048 -0.185 0.000 1.263 1038 H CB -0.461 29.295 29.762 -0.010 0.000 1.363 1038 H HN 0.528 nan 8.280 nan 0.000 0.489 1039 Q N 0.305 120.167 119.800 0.103 0.000 2.156 1039 Q HA -0.191 4.148 4.340 -0.001 0.000 0.211 1039 Q C 2.684 178.646 176.000 -0.064 0.000 0.995 1039 Q CA 1.544 57.297 55.803 -0.083 0.000 0.877 1039 Q CB -0.213 28.509 28.738 -0.027 0.000 0.920 1039 Q HN 0.385 nan 8.270 nan 0.000 0.416 1040 L N 0.251 121.482 121.223 0.014 0.000 1.988 1040 L HA -0.211 4.129 4.340 -0.001 0.000 0.207 1040 L C 2.477 179.328 176.870 -0.032 0.000 1.071 1040 L CA 1.087 55.929 54.840 0.003 0.000 0.744 1040 L CB -0.392 41.678 42.059 0.019 0.000 0.893 1040 L HN 0.139 nan 8.230 nan 0.000 0.433 1041 K N -0.065 120.305 120.400 -0.049 0.000 2.001 1041 K HA -0.215 4.105 4.320 -0.001 0.000 0.214 1041 K C 2.102 178.688 176.600 -0.023 0.000 1.050 1041 K CA 2.321 58.580 56.287 -0.047 0.000 0.934 1041 K CB -1.018 31.404 32.500 -0.129 0.000 0.718 1041 K HN 0.504 nan 8.250 nan 0.000 0.443 1042 T N -2.306 112.242 114.554 -0.010 0.000 2.881 1042 T HA -0.040 4.310 4.350 -0.001 0.000 0.270 1042 T C 1.262 175.922 174.700 -0.065 0.000 1.068 1042 T CA 1.334 63.466 62.100 0.053 0.000 1.131 1042 T CB -0.319 68.676 68.868 0.212 0.000 0.871 1042 T HN 0.433 nan 8.240 nan 0.000 0.479 1043 G N 0.636 109.318 108.800 -0.196 0.000 2.288 1043 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.205 1043 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.205 1043 G C 0.218 174.797 174.900 -0.535 0.000 1.071 1043 G CA 0.103 45.057 45.100 -0.242 0.000 0.788 1043 G HN 0.471 nan 8.290 nan 0.000 0.491 1044 L N 0.293 121.083 121.223 -0.722 0.000 1.988 1044 L HA 0.258 4.598 4.340 -0.001 0.000 0.207 1044 L C 1.676 178.176 176.870 -0.618 0.000 1.071 1044 L CA 2.083 56.296 54.840 -1.044 0.000 0.744 1044 L CB -0.786 40.604 42.059 -1.114 0.000 0.893 1044 L HN 0.553 nan 8.230 nan 0.000 0.433 1045 H N 0.000 118.900 119.070 -0.284 0.000 2.539 1045 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 1045 H CA 0.000 55.968 56.048 -0.133 0.000 1.023 1045 H CB 0.000 29.712 29.762 -0.084 0.000 1.292 1045 H HN 0.000 nan 8.280 nan 0.000 0.496