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 1gck_1_B DATA FIRST_RESID 501 DATA SEQUENCE MRGLSRRVQA MKPSATVAVN AKALELRRQG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS RQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL 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 501 M HA 0.000 nan 4.480 nan 0.000 0.227 501 M C 0.000 176.301 176.300 0.002 0.000 1.140 501 M CA 0.000 55.301 55.300 0.001 0.000 0.988 501 M CB 0.000 32.600 32.600 0.001 0.000 1.302 502 R N 0.058 120.559 120.500 0.003 0.000 2.700 502 R HA 0.928 5.267 4.340 -0.001 0.000 0.253 502 R C -0.506 175.796 176.300 0.004 0.000 1.091 502 R CA -0.018 56.084 56.100 0.004 0.000 1.104 502 R CB 1.813 32.116 30.300 0.005 0.000 1.202 502 R HN 0.957 nan 8.270 nan 0.000 0.532 503 G N 0.214 109.017 108.800 0.006 0.000 2.335 503 G HA2 0.018 3.978 3.960 -0.001 0.000 0.592 503 G HA3 0.018 3.978 3.960 -0.001 0.000 0.592 503 G C -1.390 173.515 174.900 0.009 0.000 1.442 503 G CA -1.081 44.023 45.100 0.006 0.000 0.976 503 G HN 0.337 nan 8.290 nan 0.000 0.652 504 L N 1.088 122.317 121.223 0.011 0.000 2.375 504 L HA 0.588 4.928 4.340 -0.001 0.000 0.271 504 L C 1.581 178.457 176.870 0.009 0.000 1.107 504 L CA -0.499 54.350 54.840 0.016 0.000 0.806 504 L CB 1.492 43.565 42.059 0.022 0.000 1.146 504 L HN 0.929 nan 8.230 nan 0.000 0.447 505 S N 1.594 117.299 115.700 0.009 0.000 2.576 505 S HA 0.137 4.606 4.470 -0.001 0.000 0.272 505 S C 1.004 175.594 174.600 -0.017 0.000 1.352 505 S CA -0.449 57.744 58.200 -0.011 0.000 1.021 505 S CB 0.887 64.072 63.200 -0.025 0.000 0.887 505 S HN 0.632 nan 8.310 nan 0.000 0.542 506 R N 0.959 121.438 120.500 -0.037 0.000 2.075 506 R HA -0.059 4.281 4.340 -0.001 0.000 0.232 506 R C 2.584 178.854 176.300 -0.049 0.000 1.126 506 R CA 1.334 57.412 56.100 -0.036 0.000 0.963 506 R CB -0.463 29.811 30.300 -0.044 0.000 0.858 506 R HN 0.808 nan 8.270 nan 0.000 0.435 507 R N 1.147 121.582 120.500 -0.109 0.000 2.170 507 R HA -0.128 4.211 4.340 -0.001 0.000 0.242 507 R C 1.827 178.100 176.300 -0.044 0.000 1.145 507 R CA 1.550 57.532 56.100 -0.197 0.000 0.984 507 R CB -0.203 29.853 30.300 -0.406 0.000 0.869 507 R HN 0.212 nan 8.270 nan 0.000 0.455 508 V N 0.340 120.286 119.914 0.054 0.000 3.174 508 V HA -0.021 4.099 4.120 -0.001 0.000 0.254 508 V C 1.703 177.860 176.094 0.106 0.000 1.120 508 V CA 0.961 63.375 62.300 0.190 0.000 1.114 508 V CB 0.172 32.103 31.823 0.181 0.000 0.756 508 V HN 0.396 nan 8.190 nan 0.000 0.467 509 Q N 0.279 120.111 119.800 0.053 0.000 2.245 509 Q HA 0.137 4.476 4.340 -0.001 0.000 0.201 509 Q C 1.909 177.926 176.000 0.029 0.000 0.955 509 Q CA 1.190 57.013 55.803 0.033 0.000 0.870 509 Q CB -0.152 28.596 28.738 0.015 0.000 0.945 509 Q HN 0.638 nan 8.270 nan 0.000 0.461 510 A N 1.386 124.223 122.820 0.029 0.000 2.291 510 A HA 0.122 4.441 4.320 -0.001 0.000 0.220 510 A C 0.699 178.305 177.584 0.037 0.000 1.262 510 A CA -0.109 51.941 52.037 0.022 0.000 0.867 510 A CB -0.570 18.434 19.000 0.006 0.000 0.888 510 A HN 0.339 nan 8.150 nan 0.000 0.487 511 M N -0.665 118.966 119.600 0.052 0.000 2.294 511 M HA 0.557 5.037 4.480 -0.001 0.000 0.335 511 M C -0.915 175.393 176.300 0.014 0.000 1.079 511 M CA -0.535 54.795 55.300 0.050 0.000 0.982 511 M CB 1.443 34.100 32.600 0.094 0.000 1.651 511 M HN -0.057 nan 8.290 nan 0.000 0.437 512 K N 2.141 122.536 120.400 -0.009 0.000 2.090 512 K HA 0.662 4.981 4.320 -0.001 0.000 0.249 512 K C -2.441 174.133 176.600 -0.043 0.000 0.995 512 K CA -1.518 54.756 56.287 -0.021 0.000 0.914 512 K CB 0.277 32.764 32.500 -0.023 0.000 1.057 512 K HN 0.428 nan 8.250 nan 0.000 0.462 513 P HA 0.011 nan 4.420 nan 0.000 0.296 513 P C -0.922 176.329 177.300 -0.082 0.000 1.295 513 P CA -0.512 62.558 63.100 -0.050 0.000 0.754 513 P CB 0.358 32.041 31.700 -0.029 0.000 1.311 514 S N -2.422 113.232 115.700 -0.077 0.000 2.776 514 S HA 0.606 5.075 4.470 -0.001 0.000 0.284 514 S C 0.379 174.946 174.600 -0.054 0.000 1.160 514 S CA -0.290 57.846 58.200 -0.106 0.000 1.051 514 S CB 1.386 64.509 63.200 -0.128 0.000 1.037 514 S HN 0.467 nan 8.310 nan 0.000 0.485 515 A N 2.830 125.621 122.820 -0.048 0.000 2.067 515 A HA 0.015 4.335 4.320 -0.001 0.000 0.219 515 A C 2.208 179.827 177.584 0.058 0.000 1.158 515 A CA 1.718 53.764 52.037 0.015 0.000 0.661 515 A CB -1.342 17.682 19.000 0.039 0.000 0.801 515 A HN 1.266 nan 8.150 nan 0.000 0.452 516 T N -3.482 111.106 114.554 0.057 0.000 3.025 516 T HA -0.014 4.335 4.350 -0.001 0.000 0.270 516 T C 1.206 175.972 174.700 0.111 0.000 1.126 516 T CA 1.632 63.815 62.100 0.139 0.000 1.105 516 T CB -0.112 68.870 68.868 0.190 0.000 0.884 516 T HN 0.157 nan 8.240 nan 0.000 0.522 517 V N -0.271 119.681 119.914 0.064 0.000 3.473 517 V HA 0.490 4.610 4.120 -0.001 0.000 0.253 517 V C 2.718 178.835 176.094 0.038 0.000 1.340 517 V CA 0.231 62.563 62.300 0.053 0.000 1.103 517 V CB -0.196 31.648 31.823 0.035 0.000 0.881 517 V HN 0.506 nan 8.190 nan 0.000 0.451 518 A N 0.169 123.007 122.820 0.029 0.000 2.119 518 A HA 0.015 4.334 4.320 -0.001 0.000 0.217 518 A C 2.080 179.685 177.584 0.035 0.000 1.153 518 A CA 1.582 53.633 52.037 0.024 0.000 0.692 518 A CB -0.164 18.845 19.000 0.015 0.000 0.799 518 A HN 0.327 nan 8.150 nan 0.000 0.458 519 V N -0.136 119.808 119.914 0.050 0.000 2.575 519 V HA -0.121 3.999 4.120 -0.001 0.000 0.242 519 V C 1.975 178.100 176.094 0.052 0.000 1.045 519 V CA 1.767 64.100 62.300 0.056 0.000 1.065 519 V CB -0.880 30.988 31.823 0.073 0.000 0.717 519 V HN 0.538 nan 8.190 nan 0.000 0.467 520 N N 0.760 119.494 118.700 0.056 0.000 2.309 520 N HA -0.069 4.670 4.740 -0.001 0.000 0.182 520 N C 1.833 177.365 175.510 0.037 0.000 1.018 520 N CA 1.257 54.337 53.050 0.050 0.000 0.876 520 N CB -0.272 38.249 38.487 0.057 0.000 0.972 520 N HN 0.479 nan 8.380 nan 0.000 0.434 521 A N 1.459 124.299 122.820 0.033 0.000 1.835 521 A HA -0.206 4.113 4.320 -0.001 0.000 0.215 521 A C 2.062 179.660 177.584 0.022 0.000 1.199 521 A CA 1.789 53.841 52.037 0.024 0.000 0.615 521 A CB -0.684 18.328 19.000 0.020 0.000 0.838 521 A HN 0.181 nan 8.150 nan 0.000 0.444 522 K N 0.486 120.901 120.400 0.025 0.000 2.074 522 K HA -0.106 4.213 4.320 -0.001 0.000 0.209 522 K C 1.908 178.523 176.600 0.024 0.000 1.048 522 K CA 2.174 58.475 56.287 0.024 0.000 0.926 522 K CB -0.836 31.680 32.500 0.027 0.000 0.713 522 K HN 0.364 nan 8.250 nan 0.000 0.444 523 A N 0.745 123.582 122.820 0.028 0.000 1.917 523 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 523 A C 2.056 179.653 177.584 0.020 0.000 1.182 523 A CA 1.716 53.769 52.037 0.027 0.000 0.633 523 A CB -0.612 18.407 19.000 0.031 0.000 0.819 523 A HN 0.335 nan 8.150 nan 0.000 0.448 524 L N 0.078 121.312 121.223 0.018 0.000 2.291 524 L HA -0.123 4.216 4.340 -0.001 0.000 0.214 524 L C 2.453 179.330 176.870 0.012 0.000 1.120 524 L CA 2.089 56.937 54.840 0.014 0.000 0.799 524 L CB -1.363 40.703 42.059 0.013 0.000 0.925 524 L HN 0.833 nan 8.230 nan 0.000 0.446 525 E N -0.156 120.052 120.200 0.013 0.000 2.153 525 E HA -0.251 4.099 4.350 -0.001 0.000 0.194 525 E C 2.082 178.688 176.600 0.011 0.000 0.988 525 E CA 1.372 57.779 56.400 0.011 0.000 0.811 525 E CB -0.162 29.545 29.700 0.013 0.000 0.746 525 E HN 0.280 nan 8.360 nan 0.000 0.466 526 L N -0.027 121.204 121.223 0.012 0.000 2.425 526 L HA 0.307 4.647 4.340 -0.001 0.000 0.215 526 L C 2.323 179.199 176.870 0.011 0.000 1.065 526 L CA 1.044 55.891 54.840 0.012 0.000 0.842 526 L CB -0.174 41.895 42.059 0.016 0.000 1.033 526 L HN 0.016 nan 8.230 nan 0.000 0.474 527 R N -0.858 119.648 120.500 0.011 0.000 2.127 527 R HA 0.061 4.400 4.340 -0.001 0.000 0.217 527 R C 1.976 178.280 176.300 0.006 0.000 1.074 527 R CA 0.672 56.777 56.100 0.008 0.000 0.991 527 R CB 0.052 30.357 30.300 0.008 0.000 0.895 527 R HN 0.212 nan 8.270 nan 0.000 0.450 528 R N -0.357 120.146 120.500 0.006 0.000 2.323 528 R HA -0.018 4.322 4.340 -0.001 0.000 0.198 528 R C 1.306 177.608 176.300 0.004 0.000 0.988 528 R CA 0.546 56.648 56.100 0.004 0.000 1.041 528 R CB 0.213 30.516 30.300 0.004 0.000 0.926 528 R HN 0.241 nan 8.270 nan 0.000 0.476 529 Q N -0.190 119.613 119.800 0.005 0.000 2.172 529 Q HA 0.147 4.486 4.340 -0.001 0.000 0.217 529 Q C 0.088 176.091 176.000 0.005 0.000 0.832 529 Q CA 0.235 56.041 55.803 0.005 0.000 1.010 529 Q CB 0.803 29.545 28.738 0.007 0.000 1.133 529 Q HN 0.335 nan 8.270 nan 0.000 0.489 530 G N 0.542 109.344 108.800 0.004 0.000 2.594 530 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.217 530 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.217 530 G C -0.082 174.821 174.900 0.005 0.000 1.163 530 G CA 0.065 45.168 45.100 0.004 0.000 1.074 530 G HN 1.295 nan 8.290 nan 0.000 0.589 531 V N -2.589 117.328 119.914 0.005 0.000 3.727 531 V HA 0.023 4.142 4.120 -0.001 0.000 0.527 531 V C -0.152 175.944 176.094 0.004 0.000 0.682 531 V CA 1.188 63.491 62.300 0.006 0.000 2.082 531 V CB -0.585 31.244 31.823 0.010 0.000 2.487 531 V HN 2.156 nan 8.190 nan 0.000 0.516 532 D N 4.857 125.259 120.400 0.003 0.000 2.398 532 D HA 0.482 5.121 4.640 -0.001 0.000 0.250 532 D C -0.254 176.046 176.300 0.001 0.000 1.287 532 D CA 0.259 54.259 54.000 -0.001 0.000 0.992 532 D CB 0.714 41.513 40.800 -0.003 0.000 1.071 532 D HN 1.028 nan 8.370 nan 0.000 0.514 533 L N 4.616 125.840 121.223 0.001 0.000 2.313 533 L HA 0.444 4.784 4.340 -0.001 0.000 0.283 533 L C -1.191 175.677 176.870 -0.003 0.000 1.013 533 L CA -0.766 54.077 54.840 0.005 0.000 0.816 533 L CB 1.818 43.885 42.059 0.013 0.000 1.236 533 L HN 0.003 nan 8.230 nan 0.000 0.419 534 V N 5.000 124.908 119.914 -0.010 0.000 2.461 534 V HA 0.711 4.830 4.120 -0.001 0.000 0.275 534 V C 0.597 176.686 176.094 -0.008 0.000 1.047 534 V CA -0.139 62.146 62.300 -0.026 0.000 0.955 534 V CB 0.944 32.729 31.823 -0.063 0.000 0.988 534 V HN 0.977 nan 8.190 nan 0.000 0.471 535 A N 5.710 128.527 122.820 -0.005 0.000 2.276 535 A HA 0.773 5.093 4.320 -0.001 0.000 0.316 535 A C -0.019 177.575 177.584 0.017 0.000 1.229 535 A CA -0.426 51.620 52.037 0.015 0.000 0.851 535 A CB 0.546 19.555 19.000 0.015 0.000 1.165 535 A HN 0.879 nan 8.150 nan 0.000 0.513 536 L N 2.936 124.188 121.223 0.048 0.000 3.202 536 L HA 0.154 4.494 4.340 -0.001 0.000 0.278 536 L C 1.102 178.025 176.870 0.088 0.000 1.268 536 L CA 0.037 54.916 54.840 0.066 0.000 1.034 536 L CB -0.127 41.993 42.059 0.103 0.000 1.407 536 L HN 0.934 nan 8.230 nan 0.000 0.581 537 T N -2.096 112.505 114.554 0.078 0.000 3.070 537 T HA 0.757 5.107 4.350 -0.001 0.000 0.295 537 T C 0.529 175.292 174.700 0.105 0.000 1.221 537 T CA 0.013 62.174 62.100 0.101 0.000 0.926 537 T CB 1.099 70.022 68.868 0.091 0.000 2.158 537 T HN 0.315 nan 8.240 nan 0.000 0.573 538 A N -1.085 121.809 122.820 0.123 0.000 2.433 538 A HA 0.339 4.658 4.320 -0.001 0.000 0.685 538 A C 0.486 178.206 177.584 0.226 0.000 0.139 538 A CA -0.082 52.025 52.037 0.117 0.000 0.033 538 A CB -1.666 17.346 19.000 0.019 0.000 3.970 538 A HN 2.021 nan 8.150 nan 0.000 0.547 539 G N 1.963 110.927 108.800 0.273 0.000 4.291 539 G HA2 0.576 4.536 3.960 -0.001 0.000 0.304 539 G HA3 0.576 4.536 3.960 -0.001 0.000 0.304 539 G C -0.133 175.008 174.900 0.402 0.000 1.264 539 G CA 0.693 46.080 45.100 0.479 0.000 1.039 539 G HN 1.445 nan 8.290 nan 0.000 0.578 540 E N -0.204 120.112 120.200 0.193 0.000 2.372 540 E HA 0.443 4.792 4.350 -0.001 0.000 0.279 540 E C -3.161 173.392 176.600 -0.079 0.000 0.946 540 E CA -2.257 54.240 56.400 0.161 0.000 0.769 540 E CB 1.842 31.625 29.700 0.137 0.000 1.230 540 E HN -0.073 nan 8.360 nan 0.000 0.442 541 P HA -0.005 nan 4.420 nan 0.000 0.268 541 P C 0.170 177.538 177.300 0.114 0.000 1.205 541 P CA 0.031 63.235 63.100 0.173 0.000 0.771 541 P CB 0.550 32.572 31.700 0.537 0.000 0.858 542 D N 1.725 122.118 120.400 -0.012 0.000 2.348 542 D HA -0.101 4.538 4.640 -0.001 0.000 0.216 542 D C 0.317 176.549 176.300 -0.114 0.000 0.970 542 D CA 0.460 54.382 54.000 -0.130 0.000 0.889 542 D CB -0.384 40.259 40.800 -0.261 0.000 0.912 542 D HN 0.276 nan 8.370 nan 0.000 0.524 543 F N 1.251 121.281 119.950 0.133 0.000 2.406 543 F HA 0.212 4.738 4.527 -0.001 0.000 0.327 543 F C 1.184 177.109 175.800 0.208 0.000 1.153 543 F CA -0.576 57.535 58.000 0.185 0.000 1.218 543 F CB 0.539 39.713 39.000 0.289 0.000 1.215 543 F HN -0.252 nan 8.300 nan 0.000 0.570 544 D N 0.287 120.935 120.400 0.414 0.000 2.181 544 D HA 0.161 4.800 4.640 -0.001 0.000 0.248 544 D C -0.610 175.830 176.300 0.233 0.000 1.020 544 D CA -0.405 53.760 54.000 0.274 0.000 0.891 544 D CB 1.401 42.324 40.800 0.204 0.000 1.187 544 D HN 0.408 nan 8.370 nan 0.000 0.443 545 T N 4.301 118.941 114.554 0.143 0.000 2.905 545 T HA 0.138 4.488 4.350 -0.001 0.000 0.299 545 T C -2.079 172.513 174.700 -0.181 0.000 1.024 545 T CA -0.699 61.358 62.100 -0.072 0.000 1.151 545 T CB 0.438 69.328 68.868 0.035 0.000 0.987 545 T HN 0.345 nan 8.240 nan 0.000 0.535 546 P HA 0.013 nan 4.420 nan 0.000 0.266 546 P C 0.960 178.168 177.300 -0.154 0.000 1.186 546 P CA -0.040 62.874 63.100 -0.310 0.000 0.767 546 P CB 0.642 32.081 31.700 -0.434 0.000 0.820 547 E N 1.495 121.703 120.200 0.013 0.000 2.204 547 E HA -0.191 4.159 4.350 -0.001 0.000 0.194 547 E C 1.752 178.358 176.600 0.010 0.000 0.989 547 E CA 1.148 57.564 56.400 0.027 0.000 0.824 547 E CB -0.438 29.302 29.700 0.067 0.000 0.756 547 E HN 0.668 nan 8.360 nan 0.000 0.477 548 H N -0.465 118.554 119.070 -0.084 0.000 2.491 548 H HA 0.020 4.575 4.556 -0.001 0.000 0.290 548 H C 1.931 177.182 175.328 -0.129 0.000 1.050 548 H CA 0.847 56.838 56.048 -0.094 0.000 1.309 548 H CB -0.464 29.236 29.762 -0.104 0.000 1.392 548 H HN -0.056 nan 8.280 nan 0.000 0.554 549 V N 1.587 121.097 119.914 -0.673 0.000 2.302 549 V HA -0.164 3.955 4.120 -0.001 0.000 0.243 549 V C 2.667 178.601 176.094 -0.268 0.000 1.036 549 V CA 1.702 63.636 62.300 -0.609 0.000 1.020 549 V CB -0.456 30.887 31.823 -0.800 0.000 0.657 549 V HN 0.253 nan 8.190 nan 0.000 0.453 550 K N -0.151 120.176 120.400 -0.121 0.000 2.113 550 K HA -0.208 4.111 4.320 -0.001 0.000 0.208 550 K C 2.158 178.797 176.600 0.065 0.000 1.047 550 K CA 1.518 57.860 56.287 0.092 0.000 0.928 550 K CB -0.121 32.441 32.500 0.103 0.000 0.716 550 K HN 0.420 nan 8.250 nan 0.000 0.446 551 E N 0.048 120.254 120.200 0.010 0.000 2.158 551 E HA -0.079 4.271 4.350 -0.001 0.000 0.191 551 E C 1.932 178.539 176.600 0.011 0.000 0.982 551 E CA 0.850 57.260 56.400 0.017 0.000 0.823 551 E CB -0.111 29.599 29.700 0.017 0.000 0.766 551 E HN 0.295 nan 8.360 nan 0.000 0.468 552 A N 1.381 124.195 122.820 -0.011 0.000 2.015 552 A HA -0.023 4.297 4.320 -0.001 0.000 0.219 552 A C 2.343 179.954 177.584 0.046 0.000 1.163 552 A CA 1.685 53.724 52.037 0.004 0.000 0.646 552 A CB -0.342 18.639 19.000 -0.032 0.000 0.806 552 A HN 0.244 nan 8.150 nan 0.000 0.448 553 A N -0.037 122.832 122.820 0.081 0.000 1.872 553 A HA -0.085 4.235 4.320 -0.001 0.000 0.214 553 A C 2.206 179.841 177.584 0.084 0.000 1.187 553 A CA 1.314 53.445 52.037 0.156 0.000 0.614 553 A CB -0.426 18.763 19.000 0.316 0.000 0.826 553 A HN 0.502 nan 8.150 nan 0.000 0.442 554 R N -0.524 120.011 120.500 0.059 0.000 2.120 554 R HA -0.073 4.266 4.340 -0.001 0.000 0.234 554 R C 2.379 178.674 176.300 -0.009 0.000 1.123 554 R CA 1.424 57.537 56.100 0.022 0.000 0.975 554 R CB -0.245 30.067 30.300 0.020 0.000 0.866 554 R HN 0.485 nan 8.270 nan 0.000 0.446 555 R N -0.040 120.450 120.500 -0.017 0.000 2.092 555 R HA -0.022 4.318 4.340 -0.001 0.000 0.231 555 R C 2.263 178.503 176.300 -0.100 0.000 1.119 555 R CA 1.236 57.305 56.100 -0.052 0.000 0.970 555 R CB -0.230 30.040 30.300 -0.051 0.000 0.864 555 R HN 0.187 nan 8.270 nan 0.000 0.440 556 A N 1.296 124.058 122.820 -0.096 0.000 1.897 556 A HA -0.071 4.248 4.320 -0.001 0.000 0.215 556 A C 2.166 179.679 177.584 -0.119 0.000 1.181 556 A CA 0.816 52.748 52.037 -0.175 0.000 0.620 556 A CB -0.436 18.503 19.000 -0.103 0.000 0.821 556 A HN 0.160 nan 8.150 nan 0.000 0.443 557 L N -0.735 120.456 121.223 -0.053 0.000 2.012 557 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 557 L C 3.095 179.930 176.870 -0.058 0.000 1.073 557 L CA 1.328 56.143 54.840 -0.042 0.000 0.748 557 L CB -0.477 41.571 42.059 -0.020 0.000 0.891 557 L HN 0.474 nan 8.230 nan 0.000 0.431 558 A N -0.950 121.834 122.820 -0.060 0.000 1.930 558 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 558 A C 2.013 179.550 177.584 -0.079 0.000 1.175 558 A CA 1.164 53.165 52.037 -0.059 0.000 0.627 558 A CB -0.386 18.583 19.000 -0.051 0.000 0.815 558 A HN 0.502 nan 8.150 nan 0.000 0.443 559 Q N -1.205 118.526 119.800 -0.114 0.000 2.515 559 Q HA 0.180 4.519 4.340 -0.001 0.000 0.212 559 Q C 1.031 176.951 176.000 -0.133 0.000 0.970 559 Q CA 0.315 56.033 55.803 -0.141 0.000 0.941 559 Q CB -0.166 28.442 28.738 -0.216 0.000 0.998 559 Q HN 0.871 nan 8.270 nan 0.000 0.518 560 G N 1.863 110.599 108.800 -0.106 0.000 2.179 560 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.257 560 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.257 560 G C -0.134 174.711 174.900 -0.091 0.000 1.010 560 G CA 0.127 45.177 45.100 -0.084 0.000 0.736 560 G HN 0.279 nan 8.290 nan 0.000 0.513 561 K N 1.103 121.421 120.400 -0.137 0.000 2.243 561 K HA 0.326 4.645 4.320 -0.001 0.000 0.232 561 K C 1.407 177.993 176.600 -0.024 0.000 1.237 561 K CA 0.647 56.859 56.287 -0.125 0.000 1.161 561 K CB -0.052 32.239 32.500 -0.348 0.000 1.505 561 K HN 0.437 nan 8.250 nan 0.000 0.271 562 T N -2.301 112.244 114.554 -0.016 0.000 3.145 562 T HA 0.180 4.529 4.350 -0.001 0.000 0.281 562 T C 0.432 175.114 174.700 -0.030 0.000 1.003 562 T CA -0.622 61.470 62.100 -0.014 0.000 0.901 562 T CB 0.355 69.200 68.868 -0.038 0.000 1.112 562 T HN -0.052 nan 8.240 nan 0.000 0.535 563 K N 1.211 121.612 120.400 0.001 0.000 2.109 563 K HA 0.429 4.748 4.320 -0.001 0.000 0.243 563 K C -0.416 176.213 176.600 0.048 0.000 1.006 563 K CA -0.996 55.283 56.287 -0.013 0.000 0.917 563 K CB 0.348 32.869 32.500 0.035 0.000 1.081 563 K HN 0.176 nan 8.250 nan 0.000 0.468 564 Y N 0.357 120.690 120.300 0.054 0.000 2.805 564 Y HA 0.066 4.615 4.550 -0.001 0.000 0.337 564 Y C 0.882 176.820 175.900 0.065 0.000 1.252 564 Y CA 0.343 58.475 58.100 0.053 0.000 1.515 564 Y CB 0.091 38.575 38.460 0.040 0.000 1.305 564 Y HN 0.529 nan 8.280 nan 0.000 0.600 565 A N 5.499 128.473 122.820 0.257 0.000 2.322 565 A HA 0.758 5.077 4.320 -0.001 0.000 0.327 565 A C -2.594 175.051 177.584 0.101 0.000 1.134 565 A CA -2.060 50.071 52.037 0.156 0.000 0.831 565 A CB 0.612 19.687 19.000 0.126 0.000 1.288 565 A HN 0.494 nan 8.150 nan 0.000 0.472 566 P HA 0.228 nan 4.420 nan 0.000 0.269 566 P C -2.162 175.153 177.300 0.025 0.000 1.209 566 P CA -1.163 61.954 63.100 0.029 0.000 0.776 566 P CB 0.004 31.716 31.700 0.020 0.000 0.876 567 P HA -0.166 nan 4.420 nan 0.000 0.218 567 P C 0.901 178.214 177.300 0.022 0.000 1.146 567 P CA 1.719 64.829 63.100 0.016 0.000 0.813 567 P CB -0.223 31.479 31.700 0.004 0.000 0.778 568 A N -1.483 121.346 122.820 0.016 0.000 2.308 568 A HA 0.548 4.867 4.320 -0.001 0.000 0.217 568 A C 0.988 178.580 177.584 0.013 0.000 1.216 568 A CA 0.558 52.604 52.037 0.016 0.000 0.864 568 A CB -0.629 18.376 19.000 0.008 0.000 0.902 568 A HN 0.312 nan 8.150 nan 0.000 0.499 569 G N -0.178 108.627 108.800 0.008 0.000 2.587 569 G HA2 0.067 4.026 3.960 -0.001 0.000 0.686 569 G HA3 0.067 4.026 3.960 -0.001 0.000 0.686 569 G C -0.164 174.707 174.900 -0.049 0.000 1.236 569 G CA -0.545 44.546 45.100 -0.015 0.000 0.820 569 G HN 1.354 nan 8.290 nan 0.000 0.645 570 I N -0.291 120.216 120.570 -0.105 0.000 2.775 570 I HA 0.324 4.494 4.170 -0.001 0.000 0.290 570 I C -0.589 175.428 176.117 -0.167 0.000 1.203 570 I CA -1.246 59.961 61.300 -0.155 0.000 1.433 570 I CB 0.591 38.380 38.000 -0.352 0.000 1.354 570 I HN 0.304 nan 8.210 nan 0.000 0.579 571 P HA -0.191 nan 4.420 nan 0.000 0.217 571 P C 1.072 178.302 177.300 -0.117 0.000 1.151 571 P CA 1.572 64.624 63.100 -0.080 0.000 0.849 571 P CB 0.149 31.829 31.700 -0.034 0.000 0.787 572 E N -0.503 119.581 120.200 -0.192 0.000 2.072 572 E HA -0.076 4.274 4.350 -0.001 0.000 0.191 572 E C 2.165 178.619 176.600 -0.244 0.000 0.985 572 E CA 0.629 56.899 56.400 -0.217 0.000 0.801 572 E CB -1.127 28.384 29.700 -0.316 0.000 0.750 572 E HN 0.183 nan 8.360 nan 0.000 0.452 573 L N 0.480 121.513 121.223 -0.316 0.000 2.056 573 L HA -0.151 4.189 4.340 -0.001 0.000 0.207 573 L C 2.226 178.987 176.870 -0.182 0.000 1.078 573 L CA 1.244 55.923 54.840 -0.269 0.000 0.749 573 L CB -0.066 41.830 42.059 -0.273 0.000 0.901 573 L HN 0.114 nan 8.230 nan 0.000 0.433 574 R N -0.413 120.008 120.500 -0.132 0.000 2.152 574 R HA -0.168 4.171 4.340 -0.001 0.000 0.232 574 R C 1.949 178.215 176.300 -0.057 0.000 1.117 574 R CA 1.215 57.273 56.100 -0.071 0.000 0.981 574 R CB -0.157 30.116 30.300 -0.045 0.000 0.870 574 R HN 0.525 nan 8.270 nan 0.000 0.451 575 E N 0.326 120.481 120.200 -0.075 0.000 2.112 575 E HA -0.051 4.298 4.350 -0.001 0.000 0.190 575 E C 1.886 178.445 176.600 -0.068 0.000 0.979 575 E CA 0.840 57.207 56.400 -0.055 0.000 0.814 575 E CB 0.066 29.735 29.700 -0.051 0.000 0.762 575 E HN 0.310 nan 8.360 nan 0.000 0.460 576 A N 0.926 123.680 122.820 -0.110 0.000 2.119 576 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 576 A C 1.991 179.469 177.584 -0.176 0.000 1.153 576 A CA 0.602 52.558 52.037 -0.135 0.000 0.692 576 A CB -0.082 18.820 19.000 -0.165 0.000 0.799 576 A HN 0.087 nan 8.150 nan 0.000 0.458 577 L N -0.760 120.361 121.223 -0.170 0.000 2.095 577 L HA 0.103 4.442 4.340 -0.001 0.000 0.204 577 L C 2.812 179.684 176.870 0.004 0.000 1.080 577 L CA 1.720 56.441 54.840 -0.198 0.000 0.759 577 L CB -1.258 40.741 42.059 -0.100 0.000 0.914 577 L HN 0.370 nan 8.230 nan 0.000 0.439 578 A N -0.680 122.183 122.820 0.072 0.000 1.933 578 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 578 A C 2.249 179.884 177.584 0.085 0.000 1.175 578 A CA 1.748 53.865 52.037 0.134 0.000 0.628 578 A CB -0.440 18.597 19.000 0.062 0.000 0.814 578 A HN 0.435 nan 8.150 nan 0.000 0.444 579 E N 0.350 120.552 120.200 0.003 0.000 2.150 579 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 579 E C 2.006 178.581 176.600 -0.042 0.000 0.985 579 E CA 1.561 57.952 56.400 -0.016 0.000 0.814 579 E CB -0.163 29.513 29.700 -0.040 0.000 0.752 579 E HN 0.502 nan 8.360 nan 0.000 0.466 580 K N -0.062 120.261 120.400 -0.128 0.000 1.984 580 K HA -0.134 4.185 4.320 -0.001 0.000 0.209 580 K C 2.024 178.521 176.600 -0.172 0.000 1.046 580 K CA 1.520 57.680 56.287 -0.212 0.000 0.934 580 K CB -0.610 31.638 32.500 -0.421 0.000 0.717 580 K HN 0.257 nan 8.250 nan 0.000 0.438 581 F N 1.142 121.088 119.950 -0.008 0.000 2.161 581 F HA -0.175 4.351 4.527 -0.001 0.000 0.300 581 F C 2.932 178.730 175.800 -0.004 0.000 1.089 581 F CA 1.527 59.528 58.000 0.001 0.000 1.282 581 F CB -0.217 38.782 39.000 -0.003 0.000 1.010 581 F HN 0.136 nan 8.300 nan 0.000 0.485 582 R N 0.859 121.458 120.500 0.165 0.000 2.062 582 R HA -0.170 4.169 4.340 -0.001 0.000 0.231 582 R C 2.428 178.765 176.300 0.061 0.000 1.136 582 R CA 1.888 58.044 56.100 0.094 0.000 0.948 582 R CB -0.223 30.117 30.300 0.068 0.000 0.845 582 R HN 0.295 nan 8.270 nan 0.000 0.430 583 R N -0.170 120.355 120.500 0.041 0.000 2.100 583 R HA 0.011 4.351 4.340 -0.001 0.000 0.220 583 R C 1.582 177.909 176.300 0.045 0.000 1.091 583 R CA 1.641 57.761 56.100 0.034 0.000 0.986 583 R CB -0.147 30.165 30.300 0.019 0.000 0.888 583 R HN 0.269 nan 8.270 nan 0.000 0.444 584 E N -0.114 120.114 120.200 0.046 0.000 2.190 584 E HA 0.033 4.382 4.350 -0.001 0.000 0.191 584 E C 0.844 177.495 176.600 0.084 0.000 0.978 584 E CA 0.564 57.005 56.400 0.069 0.000 0.839 584 E CB 0.271 30.014 29.700 0.072 0.000 0.787 584 E HN 0.440 nan 8.360 nan 0.000 0.473 585 N N -0.664 118.091 118.700 0.090 0.000 2.227 585 N HA 0.046 4.785 4.740 -0.001 0.000 0.196 585 N C 0.718 176.244 175.510 0.027 0.000 1.142 585 N CA 0.782 53.884 53.050 0.088 0.000 0.887 585 N CB 1.696 40.292 38.487 0.182 0.000 1.022 585 N HN 0.159 nan 8.380 nan 0.000 0.500 586 G N 1.467 110.295 108.800 0.047 0.000 2.221 586 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.265 586 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.265 586 G C -0.657 174.249 174.900 0.010 0.000 1.041 586 G CA -0.060 45.054 45.100 0.024 0.000 0.807 586 G HN 0.112 nan 8.290 nan 0.000 0.502 587 L N 1.153 122.401 121.223 0.042 0.000 2.272 587 L HA 0.542 4.882 4.340 -0.001 0.000 0.289 587 L C 0.838 177.725 176.870 0.028 0.000 1.032 587 L CA -0.488 54.362 54.840 0.016 0.000 0.810 587 L CB 1.692 43.760 42.059 0.014 0.000 1.205 587 L HN 0.106 nan 8.230 nan 0.000 0.422 588 S N 3.165 118.869 115.700 0.007 0.000 2.700 588 S HA 0.402 4.871 4.470 -0.001 0.000 0.321 588 S C -0.076 174.524 174.600 0.000 0.000 1.161 588 S CA -0.471 57.735 58.200 0.011 0.000 1.078 588 S CB -0.300 62.904 63.200 0.007 0.000 1.302 588 S HN 0.408 nan 8.310 nan 0.000 0.540 589 V N 1.332 121.254 119.914 0.014 0.000 2.656 589 V HA 0.830 4.949 4.120 -0.001 0.000 0.307 589 V C 0.140 176.245 176.094 0.018 0.000 1.051 589 V CA -1.055 61.245 62.300 -0.000 0.000 0.893 589 V CB 1.470 33.277 31.823 -0.026 0.000 0.999 589 V HN 0.607 nan 8.190 nan 0.000 0.426 590 T N 0.895 115.452 114.554 0.004 0.000 2.912 590 T HA 0.581 4.930 4.350 -0.001 0.000 0.280 590 T C -1.952 172.754 174.700 0.010 0.000 0.989 590 T CA -1.914 60.191 62.100 0.007 0.000 0.995 590 T CB 1.537 70.405 68.868 0.000 0.000 1.077 590 T HN 0.488 nan 8.240 nan 0.000 0.531 591 P HA -0.019 nan 4.420 nan 0.000 0.220 591 P C 1.056 178.356 177.300 0.001 0.000 1.148 591 P CA 0.877 63.980 63.100 0.006 0.000 0.803 591 P CB 0.001 31.698 31.700 -0.005 0.000 0.782 592 E N -0.239 119.958 120.200 -0.004 0.000 2.338 592 E HA -0.137 4.213 4.350 -0.001 0.000 0.197 592 E C 0.940 177.532 176.600 -0.013 0.000 1.007 592 E CA 0.703 57.099 56.400 -0.008 0.000 0.849 592 E CB -0.304 29.392 29.700 -0.008 0.000 0.774 592 E HN 0.485 nan 8.360 nan 0.000 0.506 593 E N 0.670 120.860 120.200 -0.018 0.000 2.451 593 E HA 0.026 4.375 4.350 -0.001 0.000 0.194 593 E C -0.228 176.343 176.600 -0.048 0.000 1.027 593 E CA 0.028 56.405 56.400 -0.038 0.000 0.914 593 E CB 0.631 30.302 29.700 -0.047 0.000 1.054 593 E HN 0.102 nan 8.360 nan 0.000 0.461 594 T N -1.509 113.039 114.554 -0.009 0.000 2.893 594 T HA 0.686 5.035 4.350 -0.001 0.000 0.291 594 T C -0.486 174.238 174.700 0.040 0.000 1.028 594 T CA -0.817 61.302 62.100 0.031 0.000 0.995 594 T CB 2.108 71.038 68.868 0.102 0.000 1.051 594 T HN 0.062 nan 8.240 nan 0.000 0.470 595 I N 1.863 122.478 120.570 0.074 0.000 2.656 595 I HA 0.611 4.781 4.170 -0.001 0.000 0.292 595 I C -1.546 174.644 176.117 0.122 0.000 1.144 595 I CA -1.276 60.065 61.300 0.068 0.000 1.038 595 I CB 2.055 40.078 38.000 0.038 0.000 1.244 595 I HN 0.612 nan 8.210 nan 0.000 0.420 596 V N 5.700 125.671 119.914 0.095 0.000 2.394 596 V HA 0.565 4.684 4.120 -0.001 0.000 0.282 596 V C 0.298 176.452 176.094 0.100 0.000 1.031 596 V CA -0.257 62.118 62.300 0.125 0.000 0.881 596 V CB 1.198 33.065 31.823 0.074 0.000 0.982 596 V HN 0.852 nan 8.190 nan 0.000 0.451 597 T N 0.880 115.499 114.554 0.109 0.000 2.888 597 T HA 0.593 4.942 4.350 -0.001 0.000 0.288 597 T C -0.349 174.394 174.700 0.072 0.000 1.063 597 T CA -0.796 61.352 62.100 0.079 0.000 1.010 597 T CB 1.757 70.666 68.868 0.067 0.000 1.214 597 T HN 0.179 nan 8.240 nan 0.000 0.533 598 V N 2.241 122.191 119.914 0.059 0.000 2.229 598 V HA 0.539 4.659 4.120 -0.001 0.000 0.245 598 V C 1.333 177.450 176.094 0.039 0.000 1.243 598 V CA 0.819 63.150 62.300 0.052 0.000 1.176 598 V CB -1.180 30.665 31.823 0.037 0.000 1.323 598 V HN 1.479 nan 8.190 nan 0.000 0.499 599 G N 3.929 112.749 108.800 0.034 0.000 2.814 599 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.677 599 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.677 599 G C 0.728 175.616 174.900 -0.020 0.000 1.429 599 G CA -0.301 44.801 45.100 0.002 0.000 0.868 599 G HN 0.952 nan 8.290 nan 0.000 0.553 600 G N -0.664 108.097 108.800 -0.065 0.000 2.484 600 G HA2 0.168 4.127 3.960 -0.001 0.000 0.218 600 G HA3 0.168 4.127 3.960 -0.001 0.000 0.218 600 G C 2.146 177.079 174.900 0.055 0.000 1.130 600 G CA 1.761 46.826 45.100 -0.059 0.000 0.784 600 G HN 1.927 nan 8.290 nan 0.000 0.543 601 S N -0.156 115.603 115.700 0.098 0.000 2.383 601 S HA -0.206 4.264 4.470 -0.001 0.000 0.229 601 S C 2.213 176.911 174.600 0.162 0.000 1.030 601 S CA 2.010 60.330 58.200 0.201 0.000 1.002 601 S CB -0.261 63.044 63.200 0.174 0.000 0.829 601 S HN 0.520 nan 8.310 nan 0.000 0.467 602 Q N -0.539 119.321 119.800 0.101 0.000 2.331 602 Q HA 0.195 4.535 4.340 -0.001 0.000 0.203 602 Q C 2.077 178.158 176.000 0.135 0.000 0.944 602 Q CA 0.737 56.611 55.803 0.118 0.000 0.892 602 Q CB -0.255 28.521 28.738 0.065 0.000 0.983 602 Q HN 0.730 nan 8.270 nan 0.000 0.482 603 A N 0.326 123.197 122.820 0.085 0.000 1.968 603 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 603 A C 1.853 179.444 177.584 0.012 0.000 1.169 603 A CA 0.672 52.734 52.037 0.041 0.000 0.638 603 A CB -0.256 18.754 19.000 0.016 0.000 0.812 603 A HN 0.374 nan 8.150 nan 0.000 0.446 604 L N -2.428 118.839 121.223 0.073 0.000 2.131 604 L HA 0.004 4.343 4.340 -0.001 0.000 0.206 604 L C 2.346 179.241 176.870 0.042 0.000 1.087 604 L CA 1.045 55.891 54.840 0.010 0.000 0.767 604 L CB -0.440 41.768 42.059 0.248 0.000 0.917 604 L HN 0.476 nan 8.230 nan 0.000 0.441 605 F N 1.224 121.216 119.950 0.070 0.000 2.113 605 F HA -0.184 4.343 4.527 -0.001 0.000 0.297 605 F C 2.190 178.044 175.800 0.090 0.000 1.103 605 F CA 1.578 59.653 58.000 0.126 0.000 1.248 605 F CB -0.125 38.916 39.000 0.068 0.000 0.999 605 F HN 0.078 nan 8.300 nan 0.000 0.475 606 N N 0.527 119.337 118.700 0.184 0.000 2.309 606 N HA -0.124 4.615 4.740 -0.001 0.000 0.182 606 N C 1.896 177.366 175.510 -0.067 0.000 1.018 606 N CA 1.046 54.133 53.050 0.061 0.000 0.876 606 N CB -0.382 38.170 38.487 0.108 0.000 0.972 606 N HN 0.434 nan 8.380 nan 0.000 0.434 607 L N -0.786 120.351 121.223 -0.144 0.000 2.023 607 L HA -0.007 4.333 4.340 -0.001 0.000 0.205 607 L C 1.558 178.293 176.870 -0.226 0.000 1.073 607 L CA 1.169 55.853 54.840 -0.259 0.000 0.745 607 L CB -0.277 41.529 42.059 -0.422 0.000 0.900 607 L HN 0.060 nan 8.230 nan 0.000 0.435 608 F N -0.321 119.565 119.950 -0.108 0.000 2.202 608 F HA -0.248 4.278 4.527 -0.001 0.000 0.301 608 F C 2.713 178.415 175.800 -0.163 0.000 1.082 608 F CA 0.682 58.607 58.000 -0.126 0.000 1.313 608 F CB -0.089 38.841 39.000 -0.117 0.000 1.024 608 F HN 0.245 nan 8.300 nan 0.000 0.495 609 Q N -0.212 119.552 119.800 -0.060 0.000 2.187 609 Q HA -0.007 4.333 4.340 -0.001 0.000 0.199 609 Q C 2.213 178.183 176.000 -0.050 0.000 0.957 609 Q CA 1.178 56.918 55.803 -0.105 0.000 0.857 609 Q CB -0.274 28.352 28.738 -0.187 0.000 0.929 609 Q HN 0.391 nan 8.270 nan 0.000 0.453 610 A N 0.423 123.210 122.820 -0.054 0.000 2.275 610 A HA 0.125 4.444 4.320 -0.001 0.000 0.212 610 A C 1.653 179.210 177.584 -0.045 0.000 1.201 610 A CA 0.190 52.199 52.037 -0.047 0.000 0.843 610 A CB -0.216 18.748 19.000 -0.059 0.000 0.873 610 A HN 0.436 nan 8.150 nan 0.000 0.492 611 I N -5.078 115.477 120.570 -0.025 0.000 4.774 611 I HA 0.406 4.575 4.170 -0.001 0.000 0.330 611 I C -0.179 175.984 176.117 0.078 0.000 1.287 611 I CA -0.187 61.120 61.300 0.011 0.000 1.311 611 I CB 0.220 38.173 38.000 -0.078 0.000 1.315 611 I HN -0.096 nan 8.210 nan 0.000 0.459 612 L N 2.842 124.109 121.223 0.074 0.000 2.334 612 L HA 0.534 4.874 4.340 -0.001 0.000 0.277 612 L C -0.811 176.068 176.870 0.015 0.000 1.075 612 L CA -0.262 54.611 54.840 0.056 0.000 0.804 612 L CB 0.884 42.967 42.059 0.041 0.000 1.174 612 L HN 0.144 nan 8.230 nan 0.000 0.438 613 D N 1.983 122.389 120.400 0.009 0.000 2.419 613 D HA 0.389 5.028 4.640 -0.001 0.000 0.234 613 D C -2.522 173.764 176.300 -0.022 0.000 1.014 613 D CA -1.480 52.516 54.000 -0.007 0.000 0.919 613 D CB 2.279 43.082 40.800 0.004 0.000 1.366 613 D HN 0.148 nan 8.370 nan 0.000 0.490 614 P HA 0.151 nan 4.420 nan 0.000 0.264 614 P C 0.762 178.042 177.300 -0.033 0.000 1.193 614 P CA 0.601 63.675 63.100 -0.043 0.000 0.763 614 P CB 0.526 32.199 31.700 -0.044 0.000 0.810 615 G N 2.068 110.844 108.800 -0.040 0.000 2.217 615 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.246 615 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.246 615 G C -0.078 174.804 174.900 -0.031 0.000 0.990 615 G CA -0.329 44.751 45.100 -0.033 0.000 0.627 615 G HN 0.507 nan 8.290 nan 0.000 0.522 616 D N 2.057 122.441 120.400 -0.027 0.000 2.417 616 D HA 0.398 5.037 4.640 -0.001 0.000 0.250 616 D C 0.696 176.971 176.300 -0.042 0.000 1.166 616 D CA 0.417 54.407 54.000 -0.018 0.000 0.881 616 D CB 0.656 41.460 40.800 0.007 0.000 1.164 616 D HN 0.564 nan 8.370 nan 0.000 0.467 617 E N 0.712 120.885 120.200 -0.045 0.000 2.283 617 E HA 0.376 4.726 4.350 -0.001 0.000 0.278 617 E C -0.597 175.947 176.600 -0.092 0.000 1.027 617 E CA -0.660 55.696 56.400 -0.074 0.000 0.843 617 E CB 1.682 31.337 29.700 -0.075 0.000 1.062 617 E HN 0.088 nan 8.360 nan 0.000 0.401 618 V N 4.701 124.544 119.914 -0.119 0.000 2.487 618 V HA 0.292 4.411 4.120 -0.001 0.000 0.298 618 V C -0.137 175.872 176.094 -0.142 0.000 1.028 618 V CA -0.673 61.551 62.300 -0.127 0.000 0.860 618 V CB 1.382 33.105 31.823 -0.167 0.000 0.991 618 V HN 0.591 nan 8.190 nan 0.000 0.427 619 I N 5.973 126.452 120.570 -0.151 0.000 2.337 619 I HA 0.373 4.543 4.170 -0.001 0.000 0.291 619 I C -0.070 175.994 176.117 -0.088 0.000 1.046 619 I CA -0.350 60.876 61.300 -0.125 0.000 1.324 619 I CB 1.238 39.143 38.000 -0.158 0.000 1.409 619 I HN 0.516 nan 8.210 nan 0.000 0.494 620 V N 5.715 125.586 119.914 -0.071 0.000 2.555 620 V HA 0.563 4.682 4.120 -0.001 0.000 0.302 620 V C -0.349 175.812 176.094 0.112 0.000 1.038 620 V CA -0.927 61.344 62.300 -0.048 0.000 0.887 620 V CB 1.724 33.411 31.823 -0.228 0.000 0.991 620 V HN 0.483 nan 8.190 nan 0.000 0.434 621 L N 4.590 125.921 121.223 0.180 0.000 2.290 621 L HA 0.595 4.934 4.340 -0.001 0.000 0.284 621 L C 0.766 177.839 176.870 0.338 0.000 1.078 621 L CA -0.067 54.908 54.840 0.224 0.000 0.815 621 L CB 1.398 43.577 42.059 0.200 0.000 1.162 621 L HN 0.986 nan 8.230 nan 0.000 0.435 622 S N 3.276 119.124 115.700 0.245 0.000 2.565 622 S HA 0.639 5.108 4.470 -0.001 0.000 0.290 622 S C -2.608 172.000 174.600 0.013 0.000 1.150 622 S CA -1.608 56.627 58.200 0.058 0.000 1.058 622 S CB 1.680 64.881 63.200 0.002 0.000 1.032 622 S HN 0.291 nan 8.310 nan 0.000 0.510 623 P HA 0.299 nan 4.420 nan 0.000 0.271 623 P C -1.136 176.098 177.300 -0.110 0.000 1.216 623 P CA -0.134 62.784 63.100 -0.303 0.000 0.776 623 P CB 0.027 31.487 31.700 -0.399 0.000 0.881 624 Y N -0.110 120.300 120.300 0.183 0.000 2.602 624 Y HA 0.628 5.177 4.550 -0.001 0.000 0.342 624 Y C -0.822 175.307 175.900 0.382 0.000 1.029 624 Y CA -2.406 55.882 58.100 0.313 0.000 1.080 624 Y CB 0.116 38.763 38.460 0.311 0.000 1.284 624 Y HN 0.359 nan 8.280 nan 0.000 0.485 625 W N 3.031 124.603 121.300 0.454 0.000 2.251 625 W HA 0.344 5.003 4.660 -0.001 0.000 0.327 625 W C 0.623 177.088 176.519 -0.090 0.000 1.361 625 W CA -0.776 56.597 57.345 0.046 0.000 1.234 625 W CB 0.827 30.115 29.460 -0.286 0.000 1.212 625 W HN 0.580 nan 8.180 nan 0.000 0.557 626 V N 4.522 124.082 119.914 -0.590 0.000 2.357 626 V HA -0.401 3.718 4.120 -0.001 0.000 0.257 626 V C 2.162 177.818 176.094 -0.729 0.000 1.082 626 V CA 2.706 64.593 62.300 -0.688 0.000 1.078 626 V CB -1.128 30.251 31.823 -0.739 0.000 0.663 626 V HN 0.765 nan 8.190 nan 0.000 0.455 627 S N -2.145 112.752 115.700 -1.339 0.000 2.436 627 S HA -0.049 4.421 4.470 -0.001 0.000 0.228 627 S C 1.658 175.907 174.600 -0.585 0.000 1.014 627 S CA 0.806 58.363 58.200 -1.073 0.000 0.950 627 S CB -0.335 61.896 63.200 -1.614 0.000 0.784 627 S HN 0.683 nan 8.310 nan 0.000 0.504 628 Y N 1.773 121.809 120.300 -0.440 0.000 2.081 628 Y HA -0.180 4.370 4.550 -0.001 0.000 0.280 628 Y C -0.366 175.325 175.900 -0.348 0.000 1.163 628 Y CA 1.240 59.205 58.100 -0.225 0.000 1.135 628 Y CB -1.841 36.540 38.460 -0.131 0.000 0.970 628 Y HN 0.297 nan 8.280 nan 0.000 0.498 629 P HA -0.140 nan 4.420 nan 0.000 0.216 629 P C 1.263 178.438 177.300 -0.210 0.000 1.153 629 P CA 1.585 64.509 63.100 -0.293 0.000 0.848 629 P CB 0.045 31.561 31.700 -0.308 0.000 0.787 630 E N -0.638 119.451 120.200 -0.186 0.000 2.085 630 E HA -0.145 4.204 4.350 -0.001 0.000 0.194 630 E C 1.998 178.565 176.600 -0.056 0.000 0.994 630 E CA 1.346 57.675 56.400 -0.118 0.000 0.801 630 E CB -0.761 28.841 29.700 -0.164 0.000 0.743 630 E HN 0.344 nan 8.360 nan 0.000 0.453 631 M N 0.038 119.591 119.600 -0.078 0.000 2.296 631 M HA -0.115 4.364 4.480 -0.001 0.000 0.265 631 M C 2.277 178.484 176.300 -0.155 0.000 1.064 631 M CA 0.750 56.070 55.300 0.034 0.000 1.109 631 M CB 0.022 32.762 32.600 0.233 0.000 1.396 631 M HN -0.066 nan 8.290 nan 0.000 0.430 632 V N 0.053 119.731 119.914 -0.393 0.000 2.346 632 V HA -0.180 3.940 4.120 -0.001 0.000 0.244 632 V C 2.250 178.199 176.094 -0.241 0.000 1.037 632 V CA 1.622 63.595 62.300 -0.545 0.000 1.029 632 V CB -0.600 30.863 31.823 -0.600 0.000 0.663 632 V HN 0.408 nan 8.190 nan 0.000 0.454 633 R N -0.819 119.594 120.500 -0.145 0.000 2.096 633 R HA -0.175 4.164 4.340 -0.001 0.000 0.235 633 R C 2.239 178.533 176.300 -0.009 0.000 1.127 633 R CA 1.868 57.926 56.100 -0.071 0.000 0.968 633 R CB -0.553 29.720 30.300 -0.045 0.000 0.861 633 R HN 0.478 nan 8.270 nan 0.000 0.440 634 F N 1.301 121.196 119.950 -0.093 0.000 2.171 634 F HA -0.143 4.384 4.527 -0.001 0.000 0.300 634 F C 2.174 177.931 175.800 -0.073 0.000 1.090 634 F CA 1.417 59.391 58.000 -0.044 0.000 1.293 634 F CB -0.099 38.922 39.000 0.034 0.000 1.013 634 F HN -0.020 nan 8.300 nan 0.000 0.486 635 A N -0.884 121.929 122.820 -0.011 0.000 2.206 635 A HA 0.367 4.687 4.320 -0.001 0.000 0.211 635 A C 1.919 179.437 177.584 -0.110 0.000 1.158 635 A CA 1.002 52.986 52.037 -0.088 0.000 0.761 635 A CB -1.038 17.920 19.000 -0.070 0.000 0.801 635 A HN 0.843 nan 8.150 nan 0.000 0.473 636 G N -2.279 106.451 108.800 -0.116 0.000 2.253 636 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.209 636 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.209 636 G C 0.799 175.646 174.900 -0.088 0.000 0.997 636 G CA 0.113 45.152 45.100 -0.101 0.000 0.640 636 G HN 1.316 nan 8.290 nan 0.000 0.496 637 G N -0.464 108.274 108.800 -0.104 0.000 2.651 637 G HA2 0.639 4.599 3.960 -0.001 0.000 0.260 637 G HA3 0.639 4.599 3.960 -0.001 0.000 0.260 637 G C 0.285 175.118 174.900 -0.112 0.000 1.216 637 G CA 0.518 45.553 45.100 -0.108 0.000 0.913 637 G HN 1.621 nan 8.290 nan 0.000 0.535 638 V N -1.406 118.446 119.914 -0.103 0.000 2.628 638 V HA 0.700 4.820 4.120 -0.001 0.000 0.306 638 V C -0.251 175.774 176.094 -0.115 0.000 1.045 638 V CA -0.965 61.279 62.300 -0.094 0.000 0.905 638 V CB 1.733 33.516 31.823 -0.066 0.000 0.997 638 V HN 0.512 nan 8.190 nan 0.000 0.436 639 V N 5.575 125.420 119.914 -0.114 0.000 2.385 639 V HA 0.385 4.505 4.120 -0.001 0.000 0.269 639 V C 0.135 176.180 176.094 -0.082 0.000 1.043 639 V CA -0.261 61.961 62.300 -0.129 0.000 0.906 639 V CB 1.219 32.950 31.823 -0.153 0.000 0.995 639 V HN 0.773 nan 8.190 nan 0.000 0.467 640 V N 5.783 125.647 119.914 -0.083 0.000 2.334 640 V HA 0.352 4.471 4.120 -0.001 0.000 0.281 640 V C 0.186 176.268 176.094 -0.020 0.000 1.016 640 V CA -0.690 61.581 62.300 -0.048 0.000 0.832 640 V CB 1.313 33.097 31.823 -0.065 0.000 0.999 640 V HN 0.914 nan 8.190 nan 0.000 0.439 641 E N 3.666 123.886 120.200 0.034 0.000 2.266 641 E HA 0.601 4.950 4.350 -0.001 0.000 0.277 641 E C -1.153 175.497 176.600 0.083 0.000 1.018 641 E CA -0.645 55.816 56.400 0.101 0.000 0.840 641 E CB 2.481 32.296 29.700 0.191 0.000 1.082 641 E HN 0.379 nan 8.360 nan 0.000 0.395 642 V N 3.306 123.279 119.914 0.098 0.000 2.419 642 V HA 0.060 4.180 4.120 -0.001 0.000 0.287 642 V C -0.169 175.986 176.094 0.100 0.000 1.017 642 V CA -0.807 61.537 62.300 0.073 0.000 0.844 642 V CB 1.216 33.065 31.823 0.043 0.000 1.011 642 V HN 0.654 nan 8.190 nan 0.000 0.429 643 E N 2.685 122.945 120.200 0.099 0.000 2.398 643 E HA 0.429 4.778 4.350 -0.001 0.000 0.263 643 E C -0.076 176.585 176.600 0.102 0.000 1.046 643 E CA -0.426 56.042 56.400 0.114 0.000 0.908 643 E CB 0.917 30.687 29.700 0.116 0.000 0.963 643 E HN 0.630 nan 8.360 nan 0.000 0.431 644 T N 0.583 115.223 114.554 0.143 0.000 2.863 644 T HA 0.480 4.829 4.350 -0.001 0.000 0.285 644 T C -0.369 174.445 174.700 0.189 0.000 1.009 644 T CA -1.122 61.066 62.100 0.148 0.000 0.989 644 T CB 0.944 69.924 68.868 0.186 0.000 1.004 644 T HN 0.210 nan 8.240 nan 0.000 0.455 645 L N 3.964 125.211 121.223 0.040 0.000 2.344 645 L HA 0.480 4.819 4.340 -0.001 0.000 0.272 645 L C -1.421 175.145 176.870 -0.506 0.000 1.035 645 L CA -2.805 51.963 54.840 -0.119 0.000 0.807 645 L CB 1.153 43.165 42.059 -0.079 0.000 1.237 645 L HN 0.442 nan 8.230 nan 0.000 0.442 646 P HA -0.139 nan 4.420 nan 0.000 0.218 646 P C 0.901 177.917 177.300 -0.475 0.000 1.149 646 P CA 1.047 63.529 63.100 -1.030 0.000 0.817 646 P CB 0.218 31.602 31.700 -0.526 0.000 0.785 647 E N 0.331 120.369 120.200 -0.270 0.000 2.502 647 E HA -0.094 4.256 4.350 -0.001 0.000 0.194 647 E C 0.927 177.455 176.600 -0.120 0.000 1.062 647 E CA 0.684 56.995 56.400 -0.149 0.000 0.867 647 E CB -0.425 29.221 29.700 -0.089 0.000 0.888 647 E HN 0.386 nan 8.360 nan 0.000 0.510 648 E N 0.271 120.382 120.200 -0.149 0.000 2.498 648 E HA 0.174 4.524 4.350 -0.001 0.000 0.203 648 E C 0.654 177.214 176.600 -0.066 0.000 1.013 648 E CA 0.213 56.561 56.400 -0.087 0.000 0.927 648 E CB 0.761 30.421 29.700 -0.068 0.000 1.012 648 E HN 0.408 nan 8.360 nan 0.000 0.482 649 G N 1.014 109.744 108.800 -0.117 0.000 2.137 649 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.237 649 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.237 649 G C 0.409 175.380 174.900 0.118 0.000 1.002 649 G CA -0.054 45.033 45.100 -0.022 0.000 0.702 649 G HN 0.398 nan 8.290 nan 0.000 0.515 650 F N -3.097 116.864 119.950 0.018 0.000 3.034 650 F HA -0.249 4.277 4.527 -0.001 0.000 0.286 650 F C 0.965 176.770 175.800 0.008 0.000 0.804 650 F CA 0.659 58.672 58.000 0.022 0.000 1.161 650 F CB -1.456 37.569 39.000 0.042 0.000 1.317 650 F HN 0.305 nan 8.300 nan 0.000 0.453 651 V N 2.220 122.179 119.914 0.075 0.000 2.407 651 V HA 0.303 4.422 4.120 -0.001 0.000 0.278 651 V C -1.317 174.655 176.094 -0.204 0.000 1.037 651 V CA -1.444 60.761 62.300 -0.159 0.000 0.900 651 V CB 1.301 33.075 31.823 -0.082 0.000 0.983 651 V HN -0.111 nan 8.190 nan 0.000 0.459 652 P HA 0.162 nan 4.420 nan 0.000 0.274 652 P C -1.079 176.140 177.300 -0.136 0.000 1.231 652 P CA -0.243 62.740 63.100 -0.195 0.000 0.790 652 P CB 1.103 32.675 31.700 -0.213 0.000 0.951 653 D N 2.630 122.991 120.400 -0.065 0.000 2.349 653 D HA 0.188 4.827 4.640 -0.001 0.000 0.232 653 D C -1.344 174.945 176.300 -0.018 0.000 1.071 653 D CA -2.694 51.283 54.000 -0.039 0.000 0.832 653 D CB 0.952 41.737 40.800 -0.024 0.000 1.086 653 D HN 0.118 nan 8.370 nan 0.000 0.504 654 P HA -0.172 nan 4.420 nan 0.000 0.220 654 P C 0.944 178.259 177.300 0.025 0.000 1.144 654 P CA 0.649 63.761 63.100 0.020 0.000 0.800 654 P CB 0.637 32.354 31.700 0.028 0.000 0.772 655 E N 0.260 120.468 120.200 0.014 0.000 2.047 655 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 655 E C 2.242 178.847 176.600 0.009 0.000 0.987 655 E CA 0.881 57.290 56.400 0.014 0.000 0.799 655 E CB -0.455 29.250 29.700 0.008 0.000 0.752 655 E HN 0.193 nan 8.360 nan 0.000 0.449 656 R N 0.146 120.649 120.500 0.005 0.000 2.115 656 R HA -0.067 4.273 4.340 -0.001 0.000 0.230 656 R C 2.290 178.592 176.300 0.003 0.000 1.111 656 R CA 0.838 56.941 56.100 0.005 0.000 0.976 656 R CB 0.034 30.338 30.300 0.007 0.000 0.870 656 R HN 0.002 nan 8.270 nan 0.000 0.445 657 V N 0.733 120.652 119.914 0.009 0.000 2.358 657 V HA -0.207 3.913 4.120 -0.001 0.000 0.246 657 V C 2.483 178.572 176.094 -0.008 0.000 1.047 657 V CA 1.896 64.201 62.300 0.008 0.000 1.035 657 V CB -0.573 31.272 31.823 0.037 0.000 0.658 657 V HN 0.387 nan 8.190 nan 0.000 0.452 658 R N 0.380 120.882 120.500 0.004 0.000 2.127 658 R HA -0.175 4.165 4.340 -0.001 0.000 0.238 658 R C 2.319 178.577 176.300 -0.071 0.000 1.134 658 R CA 1.579 57.661 56.100 -0.031 0.000 0.975 658 R CB -0.172 30.137 30.300 0.016 0.000 0.865 658 R HN 0.450 nan 8.270 nan 0.000 0.447 659 R N -0.549 119.929 120.500 -0.037 0.000 2.280 659 R HA 0.005 4.344 4.340 -0.001 0.000 0.207 659 R C 1.723 177.995 176.300 -0.046 0.000 1.043 659 R CA 0.823 56.902 56.100 -0.035 0.000 1.006 659 R CB 0.114 30.405 30.300 -0.015 0.000 0.885 659 R HN 0.215 nan 8.270 nan 0.000 0.467 660 A N 0.816 123.600 122.820 -0.060 0.000 2.220 660 A HA 0.182 4.501 4.320 -0.001 0.000 0.211 660 A C 0.861 178.385 177.584 -0.100 0.000 1.176 660 A CA -0.234 51.762 52.037 -0.067 0.000 0.834 660 A CB 0.250 19.213 19.000 -0.062 0.000 0.868 660 A HN 0.074 nan 8.150 nan 0.000 0.488 661 I N 2.679 123.170 120.570 -0.131 0.000 2.494 661 I HA 0.107 4.276 4.170 -0.001 0.000 0.289 661 I C 0.991 177.046 176.117 -0.103 0.000 1.106 661 I CA 0.018 61.224 61.300 -0.157 0.000 1.369 661 I CB 0.456 38.317 38.000 -0.232 0.000 1.410 661 I HN 0.340 nan 8.210 nan 0.000 0.523 662 T N 3.188 117.699 114.554 -0.070 0.000 2.870 662 T HA 0.460 4.809 4.350 -0.001 0.000 0.277 662 T C -2.031 172.669 174.700 0.000 0.000 1.000 662 T CA -1.768 60.313 62.100 -0.032 0.000 0.982 662 T CB 1.574 70.423 68.868 -0.031 0.000 1.249 662 T HN 0.212 nan 8.240 nan 0.000 0.589 663 P HA 0.250 nan 4.420 nan 0.000 0.229 663 P C 1.166 178.485 177.300 0.031 0.000 1.160 663 P CA 0.384 63.505 63.100 0.036 0.000 0.777 663 P CB 0.102 31.819 31.700 0.028 0.000 0.814 664 R N -1.452 119.054 120.500 0.009 0.000 2.297 664 R HA 0.120 4.459 4.340 -0.001 0.000 0.197 664 R C 0.235 176.533 176.300 -0.003 0.000 0.943 664 R CA 0.274 56.377 56.100 0.004 0.000 1.038 664 R CB -0.483 29.811 30.300 -0.011 0.000 0.957 664 R HN 0.032 nan 8.270 nan 0.000 0.484 665 T N 1.344 115.887 114.554 -0.019 0.000 2.736 665 T HA -0.039 4.311 4.350 -0.001 0.000 0.275 665 T C 0.939 175.641 174.700 0.002 0.000 0.962 665 T CA 0.501 62.555 62.100 -0.077 0.000 1.214 665 T CB 0.783 69.540 68.868 -0.186 0.000 0.904 665 T HN 0.032 nan 8.240 nan 0.000 0.529 666 K N 2.687 123.098 120.400 0.018 0.000 2.244 666 K HA 0.454 4.773 4.320 -0.001 0.000 0.200 666 K C 0.483 177.221 176.600 0.229 0.000 1.052 666 K CA 0.404 56.774 56.287 0.138 0.000 0.980 666 K CB 0.488 33.070 32.500 0.136 0.000 0.838 666 K HN 0.659 nan 8.250 nan 0.000 0.481 667 A N 0.119 122.999 122.820 0.100 0.000 2.594 667 A HA 0.654 4.974 4.320 -0.001 0.000 0.291 667 A C -2.044 175.510 177.584 -0.050 0.000 1.105 667 A CA -0.739 51.398 52.037 0.167 0.000 0.694 667 A CB 1.244 20.416 19.000 0.286 0.000 1.291 667 A HN 0.125 nan 8.150 nan 0.000 0.410 668 L N 1.062 122.317 121.223 0.053 0.000 2.385 668 L HA 0.763 5.102 4.340 -0.001 0.000 0.273 668 L C -1.317 175.599 176.870 0.075 0.000 0.990 668 L CA -0.571 54.264 54.840 -0.007 0.000 0.821 668 L CB 1.759 43.859 42.059 0.068 0.000 1.279 668 L HN 0.467 nan 8.230 nan 0.000 0.412 669 V N 5.650 125.571 119.914 0.011 0.000 2.370 669 V HA 0.644 4.764 4.120 -0.001 0.000 0.283 669 V C -0.215 175.875 176.094 -0.007 0.000 1.023 669 V CA -0.630 61.649 62.300 -0.034 0.000 0.857 669 V CB 1.489 33.191 31.823 -0.202 0.000 0.985 669 V HN 0.576 nan 8.190 nan 0.000 0.443 670 V N 4.581 124.524 119.914 0.049 0.000 2.604 670 V HA 0.520 4.639 4.120 -0.001 0.000 0.305 670 V C -0.132 176.013 176.094 0.086 0.000 1.043 670 V CA -0.634 61.745 62.300 0.132 0.000 0.888 670 V CB 1.978 33.917 31.823 0.193 0.000 0.995 670 V HN 0.965 nan 8.190 nan 0.000 0.429 671 N N 2.342 121.090 118.700 0.080 0.000 2.577 671 N HA 0.388 5.127 4.740 -0.001 0.000 0.275 671 N C -1.525 173.898 175.510 -0.145 0.000 1.091 671 N CA 0.023 53.111 53.050 0.063 0.000 0.843 671 N CB 1.544 40.174 38.487 0.239 0.000 1.295 671 N HN 0.633 nan 8.380 nan 0.000 0.530 672 S N 3.784 119.392 115.700 -0.154 0.000 2.619 672 S HA 0.517 4.987 4.470 -0.001 0.000 0.280 672 S C -2.864 171.740 174.600 0.006 0.000 1.150 672 S CA -1.036 57.005 58.200 -0.265 0.000 0.978 672 S CB 1.480 64.359 63.200 -0.535 0.000 1.041 672 S HN 0.358 nan 8.310 nan 0.000 0.485 673 P HA 0.129 nan 4.420 nan 0.000 0.268 673 P C -0.749 176.470 177.300 -0.135 0.000 1.205 673 P CA -0.183 62.853 63.100 -0.105 0.000 0.771 673 P CB 0.389 32.023 31.700 -0.110 0.000 0.858 674 N N 2.747 121.332 118.700 -0.192 0.000 2.487 674 N HA 0.137 4.877 4.740 -0.001 0.000 0.292 674 N C -0.850 174.536 175.510 -0.206 0.000 1.108 674 N CA -0.271 52.693 53.050 -0.144 0.000 0.956 674 N CB 0.526 38.954 38.487 -0.098 0.000 1.176 674 N HN 0.273 nan 8.380 nan 0.000 0.484 675 N N 2.433 121.046 118.700 -0.145 0.000 2.342 675 N HA 0.378 5.117 4.740 -0.001 0.000 0.293 675 N C -2.109 173.340 175.510 -0.102 0.000 1.026 675 N CA -2.070 50.821 53.050 -0.265 0.000 0.857 675 N CB 1.986 40.302 38.487 -0.285 0.000 1.256 675 N HN 0.359 nan 8.380 nan 0.000 0.484 676 P HA 0.024 nan 4.420 nan 0.000 0.245 676 P C 1.021 178.098 177.300 -0.371 0.000 1.203 676 P CA 0.611 63.396 63.100 -0.524 0.000 0.792 676 P CB 0.209 31.396 31.700 -0.856 0.000 0.997 677 T N -2.340 111.988 114.554 -0.376 0.000 2.684 677 T HA -0.027 4.322 4.350 -0.001 0.000 0.267 677 T C 1.727 176.380 174.700 -0.079 0.000 1.036 677 T CA 2.061 63.953 62.100 -0.348 0.000 1.148 677 T CB -1.525 67.040 68.868 -0.504 0.000 0.863 677 T HN 0.237 nan 8.240 nan 0.000 0.436 678 G N 1.142 109.904 108.800 -0.063 0.000 2.141 678 G HA2 0.096 4.055 3.960 -0.001 0.000 0.231 678 G HA3 0.096 4.055 3.960 -0.001 0.000 0.231 678 G C 0.198 175.127 174.900 0.047 0.000 0.984 678 G CA 0.079 45.174 45.100 -0.009 0.000 0.660 678 G HN 1.253 nan 8.290 nan 0.000 0.525 679 A N -0.500 122.365 122.820 0.074 0.000 2.371 679 A HA 0.700 5.020 4.320 -0.001 0.000 0.257 679 A C 0.362 178.000 177.584 0.091 0.000 1.089 679 A CA 0.204 52.340 52.037 0.165 0.000 0.794 679 A CB 1.264 20.467 19.000 0.338 0.000 1.029 679 A HN 1.143 nan 8.150 nan 0.000 0.488 680 V N 3.649 123.650 119.914 0.144 0.000 2.334 680 V HA 0.213 4.333 4.120 -0.001 0.000 0.281 680 V C -0.729 175.506 176.094 0.235 0.000 1.016 680 V CA -0.259 62.098 62.300 0.094 0.000 0.832 680 V CB 0.336 32.210 31.823 0.084 0.000 0.999 680 V HN 0.772 nan 8.190 nan 0.000 0.439 681 Y N 6.490 126.839 120.300 0.081 0.000 2.377 681 Y HA 0.269 4.818 4.550 -0.001 0.000 0.330 681 Y C -1.693 174.236 175.900 0.048 0.000 1.108 681 Y CA -2.477 55.664 58.100 0.068 0.000 1.308 681 Y CB 0.605 39.110 38.460 0.075 0.000 1.216 681 Y HN 0.449 nan 8.280 nan 0.000 0.518 682 P HA 0.000 nan 4.420 nan 0.000 0.272 682 P C 0.479 177.766 177.300 -0.022 0.000 1.223 682 P CA -0.367 62.768 63.100 0.058 0.000 0.784 682 P CB 1.032 32.748 31.700 0.026 0.000 0.923 683 K N 1.605 121.904 120.400 -0.168 0.000 2.107 683 K HA -0.273 4.047 4.320 -0.001 0.000 0.211 683 K C 1.340 177.693 176.600 -0.412 0.000 1.049 683 K CA 2.052 58.013 56.287 -0.543 0.000 0.927 683 K CB -0.086 32.041 32.500 -0.623 0.000 0.714 683 K HN 0.353 nan 8.250 nan 0.000 0.452 684 E N -0.124 119.946 120.200 -0.217 0.000 2.110 684 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 684 E C 1.912 178.472 176.600 -0.067 0.000 0.988 684 E CA 1.196 57.516 56.400 -0.134 0.000 0.804 684 E CB 0.016 29.664 29.700 -0.088 0.000 0.745 684 E HN 0.106 nan 8.360 nan 0.000 0.458 685 V N 0.594 120.489 119.914 -0.031 0.000 2.323 685 V HA -0.177 3.943 4.120 -0.001 0.000 0.244 685 V C 2.001 178.132 176.094 0.060 0.000 1.041 685 V CA 1.027 63.330 62.300 0.005 0.000 1.025 685 V CB -0.347 31.471 31.823 -0.009 0.000 0.656 685 V HN 0.257 nan 8.190 nan 0.000 0.451 686 L N 0.096 121.388 121.223 0.115 0.000 2.083 686 L HA -0.173 4.166 4.340 -0.001 0.000 0.209 686 L C 2.435 179.409 176.870 0.174 0.000 1.083 686 L CA 1.928 56.890 54.840 0.203 0.000 0.752 686 L CB -1.346 40.914 42.059 0.335 0.000 0.899 686 L HN 0.506 nan 8.230 nan 0.000 0.433 687 E N -0.553 119.698 120.200 0.086 0.000 2.107 687 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 687 E C 2.206 178.830 176.600 0.040 0.000 0.982 687 E CA 0.975 57.416 56.400 0.068 0.000 0.809 687 E CB 0.193 29.849 29.700 -0.074 0.000 0.756 687 E HN 0.426 nan 8.360 nan 0.000 0.459 688 A N 0.453 123.287 122.820 0.025 0.000 1.929 688 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 688 A C 1.973 179.586 177.584 0.048 0.000 1.176 688 A CA 0.699 52.749 52.037 0.023 0.000 0.628 688 A CB -0.327 18.681 19.000 0.014 0.000 0.816 688 A HN 0.249 nan 8.150 nan 0.000 0.444 689 L N -0.431 120.838 121.223 0.077 0.000 2.141 689 L HA -0.045 4.294 4.340 -0.001 0.000 0.209 689 L C 2.845 179.774 176.870 0.100 0.000 1.094 689 L CA 1.691 56.600 54.840 0.115 0.000 0.763 689 L CB -0.955 41.190 42.059 0.144 0.000 0.908 689 L HN 0.400 nan 8.230 nan 0.000 0.437 690 A N -0.907 121.954 122.820 0.068 0.000 1.929 690 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 690 A C 2.416 179.941 177.584 -0.099 0.000 1.176 690 A CA 1.049 53.090 52.037 0.007 0.000 0.628 690 A CB -0.361 18.665 19.000 0.043 0.000 0.816 690 A HN 0.333 nan 8.150 nan 0.000 0.444 691 R N -1.072 119.390 120.500 -0.063 0.000 2.105 691 R HA -0.122 4.217 4.340 -0.001 0.000 0.239 691 R C 1.844 178.054 176.300 -0.151 0.000 1.135 691 R CA 1.355 57.392 56.100 -0.105 0.000 0.967 691 R CB -0.515 29.754 30.300 -0.052 0.000 0.861 691 R HN 0.390 nan 8.270 nan 0.000 0.442 692 L N 0.328 121.510 121.223 -0.070 0.000 2.131 692 L HA -0.108 4.232 4.340 -0.001 0.000 0.210 692 L C 2.340 178.999 176.870 -0.351 0.000 1.092 692 L CA 1.701 56.547 54.840 0.009 0.000 0.759 692 L CB -0.641 41.533 42.059 0.192 0.000 0.903 692 L HN 0.161 nan 8.230 nan 0.000 0.435 693 A N -1.397 121.065 122.820 -0.596 0.000 1.872 693 A HA -0.104 4.215 4.320 -0.001 0.000 0.214 693 A C 2.282 179.298 177.584 -0.946 0.000 1.187 693 A CA 1.602 52.910 52.037 -1.214 0.000 0.614 693 A CB -0.830 17.825 19.000 -0.574 0.000 0.826 693 A HN 0.183 nan 8.150 nan 0.000 0.442 694 V N 0.277 119.700 119.914 -0.818 0.000 2.407 694 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 694 V C 2.491 178.334 176.094 -0.418 0.000 1.055 694 V CA 2.351 64.157 62.300 -0.823 0.000 1.049 694 V CB -0.696 30.804 31.823 -0.537 0.000 0.662 694 V HN 0.801 nan 8.190 nan 0.000 0.455 695 E N -0.174 119.800 120.200 -0.378 0.000 2.076 695 E HA -0.166 4.184 4.350 -0.001 0.000 0.190 695 E C 1.583 177.931 176.600 -0.420 0.000 0.979 695 E CA 0.927 57.102 56.400 -0.374 0.000 0.807 695 E CB -0.018 29.426 29.700 -0.428 0.000 0.761 695 E HN 0.800 nan 8.360 nan 0.000 0.454 696 H N 0.218 119.174 119.070 -0.190 0.000 2.505 696 H HA 0.127 4.682 4.556 -0.001 0.000 0.289 696 H C -0.768 174.533 175.328 -0.044 0.000 1.052 696 H CA 0.248 56.268 56.048 -0.047 0.000 1.156 696 H CB 0.281 30.131 29.762 0.148 0.000 1.507 696 H HN 0.143 nan 8.280 nan 0.000 0.548 697 D N 1.118 121.456 120.400 -0.102 0.000 3.218 697 D HA -0.233 4.406 4.640 -0.001 0.000 0.213 697 D C -0.859 175.475 176.300 0.056 0.000 1.192 697 D CA 1.038 55.020 54.000 -0.031 0.000 0.940 697 D CB -0.998 39.809 40.800 0.011 0.000 0.841 697 D HN 0.488 nan 8.370 nan 0.000 0.391 698 F N -0.263 119.723 119.950 0.059 0.000 2.745 698 F HA 0.611 5.138 4.527 -0.001 0.000 0.316 698 F C -1.141 174.667 175.800 0.013 0.000 1.155 698 F CA -1.581 56.414 58.000 -0.008 0.000 0.937 698 F CB 0.834 39.871 39.000 0.061 0.000 1.361 698 F HN -0.105 nan 8.300 nan 0.000 0.472 699 Y N 2.044 122.636 120.300 0.486 0.000 2.308 699 Y HA 0.485 5.034 4.550 -0.001 0.000 0.329 699 Y C -0.156 175.982 175.900 0.396 0.000 1.111 699 Y CA -0.941 57.354 58.100 0.326 0.000 1.179 699 Y CB 1.439 40.008 38.460 0.181 0.000 1.201 699 Y HN 0.439 nan 8.280 nan 0.000 0.483 700 L N 5.188 126.677 121.223 0.443 0.000 2.287 700 L HA 0.495 4.834 4.340 -0.001 0.000 0.287 700 L C -1.217 175.776 176.870 0.204 0.000 1.022 700 L CA -0.694 54.339 54.840 0.322 0.000 0.814 700 L CB 1.042 43.242 42.059 0.234 0.000 1.217 700 L HN 0.396 nan 8.230 nan 0.000 0.420 701 V N 4.518 124.520 119.914 0.146 0.000 2.347 701 V HA 0.336 4.455 4.120 -0.001 0.000 0.280 701 V C 0.302 176.426 176.094 0.051 0.000 1.021 701 V CA -0.359 61.971 62.300 0.051 0.000 0.847 701 V CB 1.534 33.355 31.823 -0.003 0.000 0.990 701 V HN 0.874 nan 8.190 nan 0.000 0.444 702 S N 3.418 119.142 115.700 0.040 0.000 2.594 702 S HA 0.285 4.754 4.470 -0.001 0.000 0.322 702 S C -0.616 174.021 174.600 0.062 0.000 1.085 702 S CA -0.657 57.577 58.200 0.056 0.000 1.116 702 S CB 0.571 63.803 63.200 0.053 0.000 0.979 702 S HN 0.801 nan 8.310 nan 0.000 0.465 703 D N 3.776 124.231 120.400 0.092 0.000 2.393 703 D HA 0.188 4.827 4.640 -0.001 0.000 0.232 703 D C 0.392 176.741 176.300 0.081 0.000 1.192 703 D CA -0.028 54.039 54.000 0.111 0.000 0.882 703 D CB 0.750 41.697 40.800 0.244 0.000 1.038 703 D HN 0.652 nan 8.370 nan 0.000 0.499 704 E N 3.235 123.465 120.200 0.049 0.000 2.496 704 E HA 0.109 4.458 4.350 -0.001 0.000 0.200 704 E C 1.647 178.169 176.600 -0.130 0.000 1.016 704 E CA -0.252 56.173 56.400 0.040 0.000 0.962 704 E CB 0.565 30.355 29.700 0.151 0.000 1.071 704 E HN 0.556 nan 8.360 nan 0.000 0.457 705 I N 0.416 120.867 120.570 -0.199 0.000 2.623 705 I HA -0.291 3.879 4.170 -0.001 0.000 0.261 705 I C 0.741 176.529 176.117 -0.550 0.000 1.204 705 I CA 1.359 62.419 61.300 -0.400 0.000 1.444 705 I CB 0.155 37.852 38.000 -0.505 0.000 1.094 705 I HN 0.223 nan 8.210 nan 0.000 0.451 706 Y N 0.161 120.294 120.300 -0.277 0.000 2.493 706 Y HA 0.032 4.582 4.550 -0.001 0.000 0.275 706 Y C 1.942 177.626 175.900 -0.361 0.000 1.183 706 Y CA 0.027 57.935 58.100 -0.319 0.000 1.258 706 Y CB -0.396 37.871 38.460 -0.322 0.000 1.108 706 Y HN 0.240 nan 8.280 nan 0.000 0.521 707 E N 0.518 120.480 120.200 -0.397 0.000 2.136 707 E HA -0.332 4.018 4.350 -0.001 0.000 0.208 707 E C 0.714 176.977 176.600 -0.561 0.000 1.035 707 E CA 2.248 58.197 56.400 -0.751 0.000 0.838 707 E CB -0.238 28.887 29.700 -0.958 0.000 0.748 707 E HN 0.696 nan 8.360 nan 0.000 0.459 708 H N -0.889 118.017 119.070 -0.273 0.000 2.539 708 H HA 0.198 4.753 4.556 -0.001 0.000 0.267 708 H C 0.045 175.284 175.328 -0.147 0.000 0.982 708 H CA -0.182 55.750 56.048 -0.194 0.000 1.146 708 H CB 0.302 29.946 29.762 -0.195 0.000 1.382 708 H HN 0.093 nan 8.280 nan 0.000 0.577 709 L N 1.897 123.072 121.223 -0.079 0.000 2.589 709 L HA 0.280 4.619 4.340 -0.001 0.000 0.244 709 L C -1.051 175.517 176.870 -0.504 0.000 1.159 709 L CA -0.390 54.359 54.840 -0.152 0.000 1.074 709 L CB 0.445 42.462 42.059 -0.070 0.000 1.391 709 L HN 0.111 nan 8.230 nan 0.000 0.423 710 L N 0.083 121.018 121.223 -0.481 0.000 2.349 710 L HA 0.375 4.714 4.340 -0.001 0.000 0.278 710 L C -0.030 176.571 176.870 -0.449 0.000 0.996 710 L CA -0.154 54.391 54.840 -0.492 0.000 0.825 710 L CB 1.601 43.563 42.059 -0.163 0.000 1.243 710 L HN 0.178 nan 8.230 nan 0.000 0.412 711 Y N 1.601 121.952 120.300 0.085 0.000 2.239 711 Y HA 0.253 4.802 4.550 -0.001 0.000 0.293 711 Y C 0.530 176.470 175.900 0.067 0.000 1.126 711 Y CA -0.252 57.896 58.100 0.079 0.000 1.128 711 Y CB 0.298 38.809 38.460 0.084 0.000 1.066 711 Y HN 0.439 nan 8.280 nan 0.000 0.516 712 E N 0.959 121.268 120.200 0.181 0.000 2.256 712 E HA 0.546 4.895 4.350 -0.001 0.000 0.267 712 E C 0.118 176.772 176.600 0.089 0.000 0.892 712 E CA -0.298 56.176 56.400 0.123 0.000 0.775 712 E CB 2.238 32.008 29.700 0.117 0.000 1.207 712 E HN 0.378 nan 8.360 nan 0.000 0.420 713 G N 1.912 110.759 108.800 0.078 0.000 2.660 713 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.247 713 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.247 713 G C -1.093 173.855 174.900 0.079 0.000 1.328 713 G CA -0.176 44.968 45.100 0.074 0.000 0.884 713 G HN 0.978 nan 8.290 nan 0.000 0.531 714 E N -1.373 118.881 120.200 0.090 0.000 2.293 714 E HA 0.594 4.944 4.350 -0.001 0.000 0.270 714 E C -0.633 176.057 176.600 0.150 0.000 0.879 714 E CA -1.040 55.430 56.400 0.116 0.000 0.756 714 E CB 1.770 31.537 29.700 0.111 0.000 1.208 714 E HN 0.889 nan 8.360 nan 0.000 0.428 715 H N 2.439 121.554 119.070 0.074 0.000 2.767 715 H HA 0.332 4.887 4.556 -0.001 0.000 0.316 715 H C -1.752 173.669 175.328 0.155 0.000 1.059 715 H CA -0.086 56.007 56.048 0.075 0.000 1.461 715 H CB 0.392 30.153 29.762 -0.002 0.000 1.475 715 H HN 0.479 nan 8.280 nan 0.000 0.531 716 F N 3.284 122.918 119.950 -0.526 0.000 2.540 716 F HA 0.441 4.968 4.527 -0.001 0.000 0.317 716 F C -0.796 174.758 175.800 -0.411 0.000 1.104 716 F CA -0.598 57.201 58.000 -0.337 0.000 0.913 716 F CB 1.764 40.682 39.000 -0.137 0.000 1.170 716 F HN 0.451 nan 8.300 nan 0.000 0.450 717 S N 7.231 122.307 115.700 -1.040 0.000 2.448 717 S HA 0.261 4.730 4.470 -0.001 0.000 0.320 717 S C -1.830 172.319 174.600 -0.752 0.000 1.071 717 S CA -1.118 56.690 58.200 -0.653 0.000 1.113 717 S CB 1.352 64.332 63.200 -0.366 0.000 0.972 717 S HN 0.541 nan 8.310 nan 0.000 0.465 718 P HA -0.042 nan 4.420 nan 0.000 0.228 718 P C 1.354 178.630 177.300 -0.039 0.000 1.151 718 P CA 0.583 63.691 63.100 0.013 0.000 0.770 718 P CB -0.051 31.720 31.700 0.118 0.000 0.786 719 G N 0.561 109.293 108.800 -0.113 0.000 2.471 719 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.219 719 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.219 719 G C 1.790 176.648 174.900 -0.071 0.000 1.125 719 G CA 0.083 45.139 45.100 -0.073 0.000 0.775 719 G HN 0.246 nan 8.290 nan 0.000 0.548 720 R N -0.275 120.145 120.500 -0.133 0.000 2.073 720 R HA -0.053 4.286 4.340 -0.001 0.000 0.234 720 R C 2.525 178.831 176.300 0.010 0.000 1.134 720 R CA 1.404 57.461 56.100 -0.073 0.000 0.952 720 R CB -0.466 29.768 30.300 -0.110 0.000 0.850 720 R HN 0.326 nan 8.270 nan 0.000 0.433 721 V N -0.145 119.800 119.914 0.051 0.000 2.871 721 V HA 0.020 4.140 4.120 -0.001 0.000 0.256 721 V C 0.890 177.000 176.094 0.026 0.000 1.082 721 V CA 1.300 63.642 62.300 0.070 0.000 1.105 721 V CB 0.150 32.048 31.823 0.126 0.000 0.713 721 V HN 0.360 nan 8.190 nan 0.000 0.473 722 A N -0.276 122.559 122.820 0.024 0.000 3.422 722 A HA 0.561 4.880 4.320 -0.001 0.000 0.271 722 A C -1.932 175.704 177.584 0.088 0.000 1.104 722 A CA -0.575 51.482 52.037 0.034 0.000 0.899 722 A CB 0.395 19.369 19.000 -0.044 0.000 1.309 722 A HN 0.238 nan 8.150 nan 0.000 0.580 723 P HA -0.104 nan 4.420 nan 0.000 0.222 723 P C 0.755 178.088 177.300 0.055 0.000 1.147 723 P CA 1.311 64.435 63.100 0.040 0.000 0.790 723 P CB 0.309 32.017 31.700 0.013 0.000 0.780 724 E N -2.017 118.241 120.200 0.097 0.000 2.447 724 E HA -0.035 4.314 4.350 -0.001 0.000 0.195 724 E C 0.864 177.413 176.600 -0.085 0.000 1.028 724 E CA 0.460 56.859 56.400 -0.000 0.000 0.876 724 E CB -0.202 29.467 29.700 -0.053 0.000 0.885 724 E HN 0.468 nan 8.360 nan 0.000 0.500 725 H N -1.308 117.784 119.070 0.036 0.000 3.046 725 H HA 0.212 4.767 4.556 -0.001 0.000 0.262 725 H C -0.226 175.222 175.328 0.200 0.000 1.044 725 H CA 0.170 56.266 56.048 0.079 0.000 1.209 725 H CB 0.939 30.669 29.762 -0.053 0.000 1.507 725 H HN -0.131 nan 8.280 nan 0.000 0.507 726 T N 1.675 116.360 114.554 0.218 0.000 2.795 726 T HA 0.483 4.832 4.350 -0.001 0.000 0.282 726 T C -0.189 174.535 174.700 0.040 0.000 0.980 726 T CA -0.565 61.613 62.100 0.131 0.000 1.012 726 T CB 1.484 70.394 68.868 0.069 0.000 0.936 726 T HN 0.066 nan 8.240 nan 0.000 0.457 727 L N 3.138 124.365 121.223 0.007 0.000 2.318 727 L HA 0.337 4.676 4.340 -0.001 0.000 0.277 727 L C 0.295 177.122 176.870 -0.072 0.000 1.008 727 L CA -0.577 54.218 54.840 -0.075 0.000 0.846 727 L CB 1.257 43.235 42.059 -0.134 0.000 1.220 727 L HN 0.628 nan 8.230 nan 0.000 0.423 728 T N 2.961 117.447 114.554 -0.113 0.000 2.723 728 T HA 0.285 4.635 4.350 -0.001 0.000 0.297 728 T C 0.076 174.747 174.700 -0.047 0.000 0.925 728 T CA -0.151 61.899 62.100 -0.084 0.000 1.030 728 T CB 0.860 69.635 68.868 -0.155 0.000 0.905 728 T HN 0.101 nan 8.240 nan 0.000 0.502 729 V N 5.914 125.833 119.914 0.007 0.000 2.439 729 V HA 0.529 4.649 4.120 -0.001 0.000 0.282 729 V C 0.322 176.430 176.094 0.024 0.000 1.039 729 V CA -0.563 61.749 62.300 0.020 0.000 0.913 729 V CB 1.568 33.397 31.823 0.009 0.000 0.983 729 V HN 0.779 nan 8.190 nan 0.000 0.460 730 N N 2.048 120.737 118.700 -0.020 0.000 3.316 730 N HA 0.782 5.522 4.740 -0.001 0.000 0.300 730 N C -0.639 174.528 175.510 -0.572 0.000 1.567 730 N CA 0.287 53.236 53.050 -0.168 0.000 0.821 730 N CB 2.458 41.001 38.487 0.093 0.000 1.748 730 N HN 0.866 nan 8.380 nan 0.000 0.603 731 G N -1.571 106.746 108.800 -0.804 0.000 2.411 731 G HA2 0.501 4.460 3.960 -0.001 0.000 0.295 731 G HA3 0.501 4.460 3.960 -0.001 0.000 0.295 731 G C -0.520 174.098 174.900 -0.470 0.000 1.542 731 G CA 0.172 44.677 45.100 -0.992 0.000 0.814 731 G HN 0.581 nan 8.290 nan 0.000 0.557 732 A N -0.187 122.527 122.820 -0.177 0.000 2.235 732 A HA 0.501 4.821 4.320 -0.001 0.000 0.208 732 A C 2.431 180.007 177.584 -0.012 0.000 1.172 732 A CA 2.046 54.148 52.037 0.109 0.000 0.786 732 A CB -0.421 18.752 19.000 0.289 0.000 0.804 732 A HN 1.895 nan 8.150 nan 0.000 0.479 733 A N 0.445 123.208 122.820 -0.094 0.000 1.877 733 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 733 A C 2.108 179.670 177.584 -0.037 0.000 1.186 733 A CA 1.642 53.652 52.037 -0.046 0.000 0.620 733 A CB -0.212 18.744 19.000 -0.072 0.000 0.822 733 A HN 0.338 nan 8.150 nan 0.000 0.443 734 K N -0.247 120.055 120.400 -0.162 0.000 2.067 734 K HA 0.205 4.525 4.320 -0.001 0.000 0.203 734 K C 2.312 178.893 176.600 -0.032 0.000 1.048 734 K CA 1.183 57.406 56.287 -0.108 0.000 0.954 734 K CB -1.109 31.143 32.500 -0.413 0.000 0.737 734 K HN 0.377 nan 8.250 nan 0.000 0.444 735 A N 0.982 123.663 122.820 -0.231 0.000 1.865 735 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 735 A C 1.692 179.088 177.584 -0.313 0.000 1.191 735 A CA 1.493 53.289 52.037 -0.402 0.000 0.623 735 A CB -0.744 17.739 19.000 -0.862 0.000 0.826 735 A HN 0.302 nan 8.150 nan 0.000 0.444 736 F N -1.433 118.575 119.950 0.097 0.000 2.639 736 F HA 0.523 5.050 4.527 -0.001 0.000 0.302 736 F C 1.184 176.886 175.800 -0.164 0.000 1.097 736 F CA 0.314 58.245 58.000 -0.114 0.000 1.294 736 F CB 0.199 39.040 39.000 -0.266 0.000 1.027 736 F HN 0.317 nan 8.300 nan 0.000 0.550 737 A N 1.166 124.099 122.820 0.189 0.000 2.578 737 A HA -0.257 4.062 4.320 -0.001 0.000 0.298 737 A C 0.290 177.970 177.584 0.160 0.000 1.472 737 A CA 0.829 53.002 52.037 0.226 0.000 0.734 737 A CB -2.168 17.039 19.000 0.346 0.000 1.091 737 A HN 0.548 nan 8.150 nan 0.000 0.426 738 M N 0.559 120.233 119.600 0.123 0.000 3.036 738 M HA 0.085 4.564 4.480 -0.001 0.000 0.323 738 M C 1.611 178.102 176.300 0.319 0.000 1.248 738 M CA 0.508 55.909 55.300 0.168 0.000 0.819 738 M CB 0.186 32.616 32.600 -0.282 0.000 1.361 738 M HN 0.699 nan 8.290 nan 0.000 0.510 739 T N -2.430 112.281 114.554 0.261 0.000 2.708 739 T HA -0.110 4.239 4.350 -0.001 0.000 0.266 739 T C 1.871 176.686 174.700 0.191 0.000 1.037 739 T CA 1.778 63.988 62.100 0.183 0.000 1.146 739 T CB -0.597 68.360 68.868 0.149 0.000 0.865 739 T HN 0.613 nan 8.240 nan 0.000 0.435 740 G N -0.567 108.355 108.800 0.204 0.000 2.679 740 G HA2 0.032 3.991 3.960 -0.001 0.000 0.212 740 G HA3 0.032 3.991 3.960 -0.001 0.000 0.212 740 G C 0.845 175.771 174.900 0.043 0.000 1.137 740 G CA -0.204 44.942 45.100 0.077 0.000 0.787 740 G HN 0.608 nan 8.290 nan 0.000 0.534 741 W N 0.007 121.320 121.300 0.022 0.000 2.770 741 W HA 0.284 4.943 4.660 -0.001 0.000 0.256 741 W C 0.580 177.113 176.519 0.024 0.000 1.291 741 W CA -0.410 56.949 57.345 0.023 0.000 1.396 741 W CB 0.373 29.849 29.460 0.025 0.000 1.114 741 W HN -0.043 nan 8.180 nan 0.000 0.637 742 R N 0.647 121.284 120.500 0.228 0.000 3.079 742 R HA -0.175 4.164 4.340 -0.001 0.000 0.254 742 R C -0.992 175.388 176.300 0.134 0.000 0.900 742 R CA 0.652 56.832 56.100 0.134 0.000 0.641 742 R CB -2.991 27.361 30.300 0.086 0.000 1.307 742 R HN 0.148 nan 8.270 nan 0.000 0.477 743 I N -0.031 120.613 120.570 0.123 0.000 2.529 743 I HA 0.479 4.649 4.170 -0.001 0.000 0.284 743 I C 0.974 177.101 176.117 0.017 0.000 1.088 743 I CA -0.316 61.052 61.300 0.114 0.000 1.062 743 I CB 2.063 40.161 38.000 0.163 0.000 1.218 743 I HN 0.385 nan 8.210 nan 0.000 0.442 744 G N 5.758 114.548 108.800 -0.017 0.000 2.714 744 G HA2 0.854 4.813 3.960 -0.001 0.000 0.292 744 G HA3 0.854 4.813 3.960 -0.001 0.000 0.292 744 G C -1.889 172.980 174.900 -0.051 0.000 1.308 744 G CA -0.477 44.482 45.100 -0.236 0.000 0.964 744 G HN 0.500 nan 8.290 nan 0.000 0.484 745 Y N -2.747 117.595 120.300 0.070 0.000 2.592 745 Y HA 0.793 5.342 4.550 -0.001 0.000 0.334 745 Y C -0.223 175.773 175.900 0.160 0.000 1.136 745 Y CA -1.446 56.724 58.100 0.117 0.000 1.042 745 Y CB 1.250 39.799 38.460 0.148 0.000 1.325 745 Y HN 0.986 nan 8.280 nan 0.000 0.457 746 A N 0.720 123.704 122.820 0.274 0.000 2.587 746 A HA 0.898 5.218 4.320 -0.001 0.000 0.293 746 A C -1.118 176.417 177.584 -0.080 0.000 1.087 746 A CA -0.430 51.658 52.037 0.084 0.000 0.692 746 A CB 1.084 20.085 19.000 0.001 0.000 1.291 746 A HN 1.696 nan 8.150 nan 0.000 0.407 747 C N -0.345 118.762 119.300 -0.322 0.000 2.797 747 C HA 1.075 5.534 4.460 -0.001 0.000 0.306 747 C C 0.340 175.170 174.990 -0.268 0.000 1.207 747 C CA 0.216 58.999 59.018 -0.390 0.000 1.507 747 C CB 0.958 28.249 27.740 -0.748 0.000 2.028 747 C HN 2.312 nan 8.230 nan 0.000 0.475 748 G N 1.445 110.139 108.800 -0.177 0.000 2.428 748 G HA2 0.746 4.706 3.960 -0.001 0.000 0.305 748 G HA3 0.746 4.706 3.960 -0.001 0.000 0.305 748 G C -3.540 171.316 174.900 -0.074 0.000 1.260 748 G CA -0.741 44.290 45.100 -0.116 0.000 0.853 748 G HN 0.577 nan 8.290 nan 0.000 0.480 749 P HA 0.210 nan 4.420 nan 0.000 0.268 749 P C 0.574 177.857 177.300 -0.028 0.000 1.204 749 P CA -0.016 63.073 63.100 -0.019 0.000 0.768 749 P CB 1.266 32.976 31.700 0.016 0.000 0.842 750 K N 2.005 122.391 120.400 -0.023 0.000 2.173 750 K HA -0.234 4.085 4.320 -0.001 0.000 0.207 750 K C 1.637 178.226 176.600 -0.019 0.000 1.046 750 K CA 1.425 57.700 56.287 -0.021 0.000 0.929 750 K CB 0.062 32.553 32.500 -0.016 0.000 0.720 750 K HN 0.448 nan 8.250 nan 0.000 0.453 751 E N -0.210 119.983 120.200 -0.012 0.000 2.158 751 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 751 E C 1.852 178.440 176.600 -0.020 0.000 0.982 751 E CA 0.823 57.218 56.400 -0.008 0.000 0.823 751 E CB 0.317 30.021 29.700 0.007 0.000 0.766 751 E HN 0.122 nan 8.360 nan 0.000 0.468 752 V N 1.385 121.276 119.914 -0.038 0.000 2.535 752 V HA -0.160 3.959 4.120 -0.001 0.000 0.246 752 V C 2.324 178.369 176.094 -0.081 0.000 1.045 752 V CA 0.706 62.953 62.300 -0.088 0.000 1.058 752 V CB -0.210 31.509 31.823 -0.174 0.000 0.689 752 V HN 0.200 nan 8.190 nan 0.000 0.461 753 I N 0.562 121.094 120.570 -0.064 0.000 2.286 753 I HA -0.196 3.973 4.170 -0.001 0.000 0.248 753 I C 2.380 178.478 176.117 -0.032 0.000 1.115 753 I CA 1.690 62.960 61.300 -0.050 0.000 1.392 753 I CB -0.957 37.016 38.000 -0.044 0.000 1.065 753 I HN 0.350 nan 8.210 nan 0.000 0.418 754 K N 0.804 121.188 120.400 -0.026 0.000 2.288 754 K HA -0.028 4.292 4.320 -0.001 0.000 0.201 754 K C 2.095 178.686 176.600 -0.015 0.000 1.048 754 K CA 1.005 57.282 56.287 -0.016 0.000 0.956 754 K CB 0.160 32.652 32.500 -0.013 0.000 0.746 754 K HN 0.239 nan 8.250 nan 0.000 0.461 755 A N 0.578 123.384 122.820 -0.024 0.000 1.930 755 A HA -0.051 4.269 4.320 -0.001 0.000 0.215 755 A C 1.956 179.528 177.584 -0.021 0.000 1.176 755 A CA 0.879 52.903 52.037 -0.022 0.000 0.632 755 A CB -0.266 18.715 19.000 -0.031 0.000 0.819 755 A HN 0.251 nan 8.150 nan 0.000 0.445 756 M N -0.377 119.205 119.600 -0.031 0.000 2.229 756 M HA -0.082 4.398 4.480 -0.001 0.000 0.264 756 M C 2.386 178.689 176.300 0.005 0.000 1.063 756 M CA 1.294 56.582 55.300 -0.020 0.000 1.114 756 M CB -0.244 32.335 32.600 -0.035 0.000 1.387 756 M HN 0.457 nan 8.290 nan 0.000 0.420 757 A N -0.698 122.123 122.820 0.002 0.000 1.969 757 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 757 A C 2.252 179.843 177.584 0.012 0.000 1.169 757 A CA 1.810 53.853 52.037 0.010 0.000 0.635 757 A CB -0.619 18.383 19.000 0.004 0.000 0.810 757 A HN 0.412 nan 8.150 nan 0.000 0.445 758 S N -0.330 115.375 115.700 0.008 0.000 2.383 758 S HA -0.103 4.366 4.470 -0.001 0.000 0.227 758 S C 1.819 176.432 174.600 0.022 0.000 1.026 758 S CA 1.370 59.575 58.200 0.010 0.000 0.981 758 S CB -0.310 62.893 63.200 0.005 0.000 0.818 758 S HN 0.370 nan 8.310 nan 0.000 0.472 759 V N 1.182 121.115 119.914 0.031 0.000 2.515 759 V HA -0.102 4.018 4.120 -0.001 0.000 0.250 759 V C 2.383 178.519 176.094 0.070 0.000 1.058 759 V CA 1.535 63.868 62.300 0.055 0.000 1.064 759 V CB -0.800 31.064 31.823 0.068 0.000 0.675 759 V HN 0.392 nan 8.190 nan 0.000 0.461 760 S N -0.585 115.150 115.700 0.057 0.000 2.345 760 S HA -0.151 4.318 4.470 -0.001 0.000 0.220 760 S C 2.247 176.871 174.600 0.040 0.000 1.031 760 S CA 1.066 59.300 58.200 0.057 0.000 0.996 760 S CB -0.335 62.894 63.200 0.048 0.000 0.882 760 S HN 0.375 nan 8.310 nan 0.000 0.445 761 R N 1.099 121.613 120.500 0.023 0.000 2.103 761 R HA -0.093 4.246 4.340 -0.001 0.000 0.242 761 R C 2.251 178.557 176.300 0.009 0.000 1.142 761 R CA 1.656 57.758 56.100 0.003 0.000 0.960 761 R CB -0.782 29.514 30.300 -0.005 0.000 0.858 761 R HN 0.347 nan 8.270 nan 0.000 0.439 762 Q N -0.416 119.399 119.800 0.026 0.000 2.167 762 Q HA -0.073 4.266 4.340 -0.001 0.000 0.202 762 Q C 1.928 177.956 176.000 0.047 0.000 0.970 762 Q CA 2.092 57.916 55.803 0.034 0.000 0.855 762 Q CB 0.144 28.909 28.738 0.046 0.000 0.911 762 Q HN 0.482 nan 8.270 nan 0.000 0.438 763 S N -2.237 113.499 115.700 0.060 0.000 2.559 763 S HA -0.009 4.461 4.470 -0.001 0.000 0.212 763 S C 1.921 176.549 174.600 0.047 0.000 0.994 763 S CA 0.703 58.941 58.200 0.064 0.000 0.903 763 S CB -0.579 62.679 63.200 0.096 0.000 0.861 763 S HN 0.387 nan 8.310 nan 0.000 0.601 764 T N -2.571 112.012 114.554 0.048 0.000 3.022 764 T HA 0.330 4.680 4.350 -0.001 0.000 0.250 764 T C 1.042 175.776 174.700 0.057 0.000 1.060 764 T CA 0.951 63.080 62.100 0.048 0.000 1.013 764 T CB -0.217 68.679 68.868 0.046 0.000 0.982 764 T HN 0.429 nan 8.240 nan 0.000 0.508 765 T N 0.378 114.956 114.554 0.039 0.000 13.229 765 T HA -0.216 4.133 4.350 -0.001 0.000 0.418 765 T C 0.209 174.929 174.700 0.034 0.000 1.449 765 T CA 1.564 63.674 62.100 0.015 0.000 2.373 765 T CB -1.841 67.035 68.868 0.012 0.000 2.798 765 T HN 1.064 nan 8.240 nan 0.000 0.615 766 S N 1.041 116.783 115.700 0.069 0.000 2.614 766 S HA 0.538 5.008 4.470 -0.001 0.000 0.280 766 S C -3.246 171.409 174.600 0.091 0.000 1.111 766 S CA -0.861 57.384 58.200 0.075 0.000 0.847 766 S CB 1.699 64.948 63.200 0.082 0.000 1.079 766 S HN 0.244 nan 8.310 nan 0.000 0.452 767 P HA 0.223 nan 4.420 nan 0.000 0.272 767 P C -0.814 176.546 177.300 0.100 0.000 1.223 767 P CA -0.022 63.130 63.100 0.086 0.000 0.784 767 P CB -0.014 31.737 31.700 0.085 0.000 0.923 768 D N 0.686 121.146 120.400 0.100 0.000 2.662 768 D HA -0.076 4.563 4.640 -0.001 0.000 0.237 768 D C 0.704 177.085 176.300 0.134 0.000 1.154 768 D CA 0.652 54.715 54.000 0.105 0.000 0.861 768 D CB 0.160 41.016 40.800 0.093 0.000 1.146 768 D HN 0.218 nan 8.370 nan 0.000 0.518 769 T N 4.576 119.217 114.554 0.145 0.000 2.849 769 T HA -0.140 4.209 4.350 -0.001 0.000 0.270 769 T C 1.756 176.640 174.700 0.307 0.000 1.066 769 T CA 0.428 62.656 62.100 0.214 0.000 1.130 769 T CB 0.017 69.018 68.868 0.222 0.000 0.864 769 T HN 0.482 nan 8.240 nan 0.000 0.481 770 I N 1.476 122.186 120.570 0.233 0.000 2.277 770 I HA 0.002 4.171 4.170 -0.001 0.000 0.243 770 I C 2.945 179.255 176.117 0.321 0.000 1.094 770 I CA 0.963 62.416 61.300 0.256 0.000 1.393 770 I CB -1.553 36.545 38.000 0.165 0.000 1.078 770 I HN 0.196 nan 8.210 nan 0.000 0.417 771 A N 0.340 123.354 122.820 0.323 0.000 2.019 771 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 771 A C 2.223 179.927 177.584 0.200 0.000 1.164 771 A CA 1.328 53.609 52.037 0.406 0.000 0.644 771 A CB -0.516 18.735 19.000 0.419 0.000 0.805 771 A HN 0.535 nan 8.150 nan 0.000 0.449 772 Q N -1.729 118.158 119.800 0.145 0.000 2.049 772 Q HA -0.199 4.140 4.340 -0.001 0.000 0.198 772 Q C 1.944 177.897 176.000 -0.078 0.000 0.971 772 Q CA 1.569 57.370 55.803 -0.005 0.000 0.833 772 Q CB -0.257 28.430 28.738 -0.085 0.000 0.896 772 Q HN 0.897 nan 8.270 nan 0.000 0.434 773 W N 0.591 121.899 121.300 0.013 0.000 2.425 773 W HA -0.070 4.589 4.660 -0.001 0.000 0.277 773 W C 2.397 178.880 176.519 -0.060 0.000 1.231 773 W CA 0.957 58.292 57.345 -0.017 0.000 1.248 773 W CB -0.080 29.381 29.460 0.001 0.000 1.117 773 W HN 0.178 nan 8.180 nan 0.000 0.568 774 A N -0.563 122.341 122.820 0.140 0.000 1.929 774 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 774 A C 1.865 179.311 177.584 -0.230 0.000 1.176 774 A CA 1.995 53.995 52.037 -0.062 0.000 0.628 774 A CB -1.094 17.833 19.000 -0.122 0.000 0.816 774 A HN 0.179 nan 8.150 nan 0.000 0.444 775 T N 0.314 114.752 114.554 -0.192 0.000 2.915 775 T HA -0.086 4.263 4.350 -0.001 0.000 0.269 775 T C 1.731 176.296 174.700 -0.225 0.000 1.071 775 T CA 1.262 63.228 62.100 -0.223 0.000 1.132 775 T CB -0.274 68.538 68.868 -0.093 0.000 0.878 775 T HN 0.340 nan 8.240 nan 0.000 0.479 776 L N 1.710 122.826 121.223 -0.178 0.000 2.131 776 L HA 0.026 4.365 4.340 -0.001 0.000 0.210 776 L C 2.199 178.983 176.870 -0.144 0.000 1.092 776 L CA 1.787 56.525 54.840 -0.171 0.000 0.759 776 L CB -0.606 41.362 42.059 -0.151 0.000 0.903 776 L HN 0.054 nan 8.230 nan 0.000 0.435 777 E N -0.162 119.951 120.200 -0.145 0.000 2.152 777 E HA -0.053 4.297 4.350 -0.001 0.000 0.192 777 E C 2.108 178.590 176.600 -0.197 0.000 0.983 777 E CA 1.218 57.542 56.400 -0.127 0.000 0.818 777 E CB -0.219 29.401 29.700 -0.134 0.000 0.758 777 E HN 0.548 nan 8.360 nan 0.000 0.467 778 A N 0.158 122.729 122.820 -0.415 0.000 1.969 778 A HA -0.047 4.273 4.320 -0.001 0.000 0.218 778 A C 2.103 179.386 177.584 -0.500 0.000 1.169 778 A CA 1.085 52.701 52.037 -0.702 0.000 0.635 778 A CB -0.424 17.831 19.000 -1.241 0.000 0.810 778 A HN 0.325 nan 8.150 nan 0.000 0.445 779 L N -0.568 120.475 121.223 -0.301 0.000 2.375 779 L HA -0.017 4.322 4.340 -0.001 0.000 0.215 779 L C 2.340 179.135 176.870 -0.125 0.000 1.108 779 L CA 1.473 56.210 54.840 -0.172 0.000 0.830 779 L CB -0.248 41.693 42.059 -0.198 0.000 0.959 779 L HN 0.579 nan 8.230 nan 0.000 0.457 780 T N -5.392 109.092 114.554 -0.118 0.000 3.023 780 T HA 0.071 4.420 4.350 -0.001 0.000 0.253 780 T C 0.912 175.575 174.700 -0.062 0.000 1.038 780 T CA -0.190 61.864 62.100 -0.077 0.000 0.962 780 T CB -0.085 68.746 68.868 -0.062 0.000 1.018 780 T HN -0.025 nan 8.240 nan 0.000 0.521 781 N N 1.711 120.370 118.700 -0.068 0.000 3.228 781 N HA 0.255 4.994 4.740 -0.001 0.000 0.289 781 N C 0.973 176.406 175.510 -0.128 0.000 1.419 781 N CA -0.237 52.762 53.050 -0.085 0.000 1.088 781 N CB 0.517 38.966 38.487 -0.063 0.000 1.357 781 N HN 0.412 nan 8.380 nan 0.000 0.504 782 Q N 0.153 119.900 119.800 -0.089 0.000 2.112 782 Q HA -0.242 4.098 4.340 -0.001 0.000 0.206 782 Q C 1.408 177.356 176.000 -0.086 0.000 0.987 782 Q CA 1.978 57.737 55.803 -0.073 0.000 0.858 782 Q CB 0.103 28.813 28.738 -0.047 0.000 0.905 782 Q HN 0.716 nan 8.270 nan 0.000 0.420 783 E N -0.135 120.005 120.200 -0.100 0.000 2.208 783 E HA -0.099 4.250 4.350 -0.001 0.000 0.193 783 E C 1.669 178.186 176.600 -0.138 0.000 0.988 783 E CA 0.932 57.274 56.400 -0.096 0.000 0.828 783 E CB -0.037 29.617 29.700 -0.077 0.000 0.763 783 E HN 0.294 nan 8.360 nan 0.000 0.478 784 A N 0.624 123.292 122.820 -0.253 0.000 1.984 784 A HA 0.087 4.406 4.320 -0.001 0.000 0.214 784 A C 2.255 179.622 177.584 -0.362 0.000 1.173 784 A CA 0.850 52.649 52.037 -0.396 0.000 0.673 784 A CB -0.136 18.437 19.000 -0.711 0.000 0.830 784 A HN 0.239 nan 8.150 nan 0.000 0.453 785 S N -0.645 114.893 115.700 -0.270 0.000 2.377 785 S HA -0.068 4.401 4.470 -0.001 0.000 0.223 785 S C 2.064 176.762 174.600 0.164 0.000 1.030 785 S CA 1.037 59.271 58.200 0.057 0.000 0.970 785 S CB -0.250 62.949 63.200 -0.001 0.000 0.830 785 S HN 0.629 nan 8.310 nan 0.000 0.473 786 R N 1.346 121.868 120.500 0.037 0.000 2.091 786 R HA -0.071 4.268 4.340 -0.001 0.000 0.238 786 R C 2.275 178.576 176.300 0.002 0.000 1.136 786 R CA 1.366 57.470 56.100 0.005 0.000 0.959 786 R CB -0.437 29.846 30.300 -0.030 0.000 0.856 786 R HN 0.378 nan 8.270 nan 0.000 0.437 787 A N -0.090 122.729 122.820 -0.002 0.000 2.019 787 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 787 A C 1.870 179.446 177.584 -0.013 0.000 1.164 787 A CA 1.015 53.041 52.037 -0.019 0.000 0.644 787 A CB -0.603 18.384 19.000 -0.022 0.000 0.805 787 A HN 0.517 nan 8.150 nan 0.000 0.449 788 F N 0.231 120.153 119.950 -0.046 0.000 2.098 788 F HA -0.077 4.450 4.527 -0.001 0.000 0.294 788 F C 2.224 177.964 175.800 -0.100 0.000 1.107 788 F CA 1.756 59.727 58.000 -0.050 0.000 1.234 788 F CB -0.233 38.805 39.000 0.063 0.000 1.002 788 F HN 0.007 nan 8.300 nan 0.000 0.472 789 V N 0.672 120.595 119.914 0.014 0.000 2.469 789 V HA -0.247 3.872 4.120 -0.001 0.000 0.251 789 V C 2.312 178.302 176.094 -0.174 0.000 1.064 789 V CA 1.986 64.222 62.300 -0.106 0.000 1.066 789 V CB -0.623 31.129 31.823 -0.118 0.000 0.667 789 V HN 0.321 nan 8.190 nan 0.000 0.461 790 E N -0.745 119.365 120.200 -0.150 0.000 2.072 790 E HA -0.163 4.186 4.350 -0.001 0.000 0.190 790 E C 2.127 178.618 176.600 -0.182 0.000 0.982 790 E CA 1.012 57.340 56.400 -0.120 0.000 0.803 790 E CB -0.413 29.239 29.700 -0.079 0.000 0.755 790 E HN 0.454 nan 8.360 nan 0.000 0.453 791 M N 0.900 120.324 119.600 -0.294 0.000 2.067 791 M HA -0.100 4.380 4.480 -0.001 0.000 0.260 791 M C 2.160 178.162 176.300 -0.498 0.000 1.069 791 M CA 1.786 56.872 55.300 -0.357 0.000 1.117 791 M CB -0.521 31.821 32.600 -0.430 0.000 1.334 791 M HN 0.035 nan 8.290 nan 0.000 0.407 792 A N 0.515 122.835 122.820 -0.833 0.000 1.902 792 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 792 A C 2.317 179.610 177.584 -0.485 0.000 1.181 792 A CA 1.925 53.361 52.037 -1.001 0.000 0.623 792 A CB -0.876 17.434 19.000 -1.150 0.000 0.818 792 A HN 0.656 nan 8.150 nan 0.000 0.443 793 R N -0.641 119.771 120.500 -0.147 0.000 2.096 793 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 793 R C 1.615 178.021 176.300 0.177 0.000 1.127 793 R CA 1.557 57.769 56.100 0.187 0.000 0.968 793 R CB -0.168 30.222 30.300 0.150 0.000 0.861 793 R HN 0.415 nan 8.270 nan 0.000 0.440 794 E N 0.082 120.292 120.200 0.015 0.000 2.216 794 E HA -0.047 4.302 4.350 -0.001 0.000 0.192 794 E C 1.589 178.186 176.600 -0.006 0.000 0.988 794 E CA 1.016 57.424 56.400 0.013 0.000 0.834 794 E CB 0.138 29.828 29.700 -0.018 0.000 0.772 794 E HN 0.450 nan 8.360 nan 0.000 0.479 795 A N -0.561 122.232 122.820 -0.045 0.000 2.072 795 A HA -0.047 4.272 4.320 -0.001 0.000 0.216 795 A C 1.771 179.393 177.584 0.062 0.000 1.156 795 A CA 0.479 52.508 52.037 -0.013 0.000 0.701 795 A CB -0.421 18.602 19.000 0.039 0.000 0.816 795 A HN 0.255 nan 8.150 nan 0.000 0.458 796 Y N -0.917 119.477 120.300 0.157 0.000 2.397 796 Y HA -0.032 4.518 4.550 -0.001 0.000 0.292 796 Y C 2.623 178.434 175.900 -0.149 0.000 1.115 796 Y CA 0.825 59.045 58.100 0.201 0.000 1.208 796 Y CB 0.034 38.762 38.460 0.447 0.000 1.046 796 Y HN 0.290 nan 8.280 nan 0.000 0.552 797 R N 1.179 121.606 120.500 -0.122 0.000 2.073 797 R HA -0.188 4.152 4.340 -0.001 0.000 0.234 797 R C 2.266 178.417 176.300 -0.249 0.000 1.134 797 R CA 1.450 57.323 56.100 -0.379 0.000 0.952 797 R CB -0.245 29.951 30.300 -0.174 0.000 0.850 797 R HN 0.215 nan 8.270 nan 0.000 0.433 798 R N 0.224 120.650 120.500 -0.124 0.000 2.083 798 R HA -0.099 4.241 4.340 -0.001 0.000 0.237 798 R C 2.463 178.681 176.300 -0.137 0.000 1.137 798 R CA 1.887 57.927 56.100 -0.100 0.000 0.951 798 R CB -0.057 30.215 30.300 -0.048 0.000 0.851 798 R HN 0.265 nan 8.270 nan 0.000 0.434 799 R N -0.477 119.947 120.500 -0.128 0.000 2.115 799 R HA -0.121 4.218 4.340 -0.001 0.000 0.230 799 R C 2.433 178.461 176.300 -0.453 0.000 1.111 799 R CA 1.326 57.328 56.100 -0.163 0.000 0.976 799 R CB -0.265 30.067 30.300 0.053 0.000 0.870 799 R HN 0.222 nan 8.270 nan 0.000 0.445 800 R N 1.045 121.098 120.500 -0.746 0.000 2.057 800 R HA -0.123 4.216 4.340 -0.001 0.000 0.229 800 R C 1.273 177.328 176.300 -0.408 0.000 1.136 800 R CA 1.845 57.403 56.100 -0.903 0.000 0.952 800 R CB -0.111 29.656 30.300 -0.889 0.000 0.848 800 R HN 0.093 nan 8.270 nan 0.000 0.430 801 D N 1.077 121.303 120.400 -0.290 0.000 2.149 801 D HA -0.212 4.427 4.640 -0.001 0.000 0.198 801 D C 1.917 178.143 176.300 -0.124 0.000 0.990 801 D CA 1.000 54.901 54.000 -0.165 0.000 0.839 801 D CB -0.194 40.532 40.800 -0.123 0.000 0.948 801 D HN 0.288 nan 8.370 nan 0.000 0.460 802 L N 0.219 121.362 121.223 -0.133 0.000 2.109 802 L HA -0.057 4.282 4.340 -0.001 0.000 0.207 802 L C 2.321 179.147 176.870 -0.074 0.000 1.086 802 L CA 0.586 55.373 54.840 -0.088 0.000 0.760 802 L CB 0.004 42.013 42.059 -0.084 0.000 0.910 802 L HN 0.034 nan 8.230 nan 0.000 0.437 803 L N -0.741 120.420 121.223 -0.103 0.000 2.072 803 L HA -0.212 4.127 4.340 -0.001 0.000 0.205 803 L C 2.425 179.290 176.870 -0.009 0.000 1.079 803 L CA 1.141 55.953 54.840 -0.047 0.000 0.752 803 L CB -0.131 41.892 42.059 -0.060 0.000 0.906 803 L HN 0.321 nan 8.230 nan 0.000 0.436 804 L N -0.188 121.011 121.223 -0.040 0.000 2.093 804 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 804 L C 2.563 179.435 176.870 0.004 0.000 1.085 804 L CA 1.566 56.402 54.840 -0.007 0.000 0.755 804 L CB -0.510 41.535 42.059 -0.023 0.000 0.904 804 L HN 0.406 nan 8.230 nan 0.000 0.435 805 E N 0.025 120.217 120.200 -0.013 0.000 2.150 805 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 805 E C 2.088 178.694 176.600 0.010 0.000 0.985 805 E CA 1.293 57.691 56.400 -0.004 0.000 0.814 805 E CB -0.537 29.154 29.700 -0.015 0.000 0.752 805 E HN 0.339 nan 8.360 nan 0.000 0.466 806 G N 0.851 109.660 108.800 0.015 0.000 2.494 806 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.216 806 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.216 806 G C 1.538 176.477 174.900 0.064 0.000 1.140 806 G CA 0.405 45.524 45.100 0.032 0.000 0.801 806 G HN 0.151 nan 8.290 nan 0.000 0.536 807 L N 0.649 121.917 121.223 0.075 0.000 2.023 807 L HA -0.053 4.287 4.340 -0.001 0.000 0.205 807 L C 3.153 180.059 176.870 0.061 0.000 1.073 807 L CA 1.604 56.501 54.840 0.096 0.000 0.745 807 L CB -0.990 41.128 42.059 0.099 0.000 0.900 807 L HN 0.115 nan 8.230 nan 0.000 0.435 808 T N 0.132 114.712 114.554 0.044 0.000 2.803 808 T HA -0.201 4.148 4.350 -0.001 0.000 0.269 808 T C 1.862 176.578 174.700 0.027 0.000 1.052 808 T CA 1.326 63.444 62.100 0.031 0.000 1.136 808 T CB -0.305 68.577 68.868 0.023 0.000 0.864 808 T HN 0.440 nan 8.240 nan 0.000 0.467 809 A N 0.389 123.226 122.820 0.029 0.000 2.119 809 A HA 0.227 4.546 4.320 -0.001 0.000 0.216 809 A C 1.964 179.566 177.584 0.030 0.000 1.152 809 A CA 0.626 52.678 52.037 0.025 0.000 0.708 809 A CB -0.341 18.672 19.000 0.022 0.000 0.805 809 A HN 0.363 nan 8.150 nan 0.000 0.460 810 L N -1.601 119.647 121.223 0.041 0.000 2.567 810 L HA 0.300 4.640 4.340 -0.001 0.000 0.225 810 L C 1.604 178.490 176.870 0.027 0.000 1.119 810 L CA 1.169 56.035 54.840 0.044 0.000 0.871 810 L CB -0.087 42.018 42.059 0.076 0.000 1.036 810 L HN 0.607 nan 8.230 nan 0.000 0.459 811 G N -0.509 108.304 108.800 0.022 0.000 2.141 811 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.231 811 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.231 811 G C 0.182 175.085 174.900 0.004 0.000 0.984 811 G CA 0.153 45.259 45.100 0.011 0.000 0.660 811 G HN 0.228 nan 8.290 nan 0.000 0.525 812 L N 0.450 121.679 121.223 0.010 0.000 2.312 812 L HA 0.533 4.873 4.340 -0.001 0.000 0.281 812 L C 0.783 177.664 176.870 0.018 0.000 1.070 812 L CA -0.688 54.151 54.840 -0.001 0.000 0.805 812 L CB 1.456 43.511 42.059 -0.007 0.000 1.174 812 L HN 0.084 nan 8.230 nan 0.000 0.434 813 K N 2.474 122.883 120.400 0.016 0.000 2.172 813 K HA 0.791 5.111 4.320 -0.001 0.000 0.276 813 K C -1.111 175.540 176.600 0.085 0.000 1.013 813 K CA -0.392 55.920 56.287 0.041 0.000 0.913 813 K CB 1.399 33.918 32.500 0.032 0.000 1.055 813 K HN 0.717 nan 8.250 nan 0.000 0.461 814 A N 2.997 125.878 122.820 0.102 0.000 2.513 814 A HA 0.329 4.649 4.320 -0.001 0.000 0.296 814 A C -1.307 176.353 177.584 0.127 0.000 1.052 814 A CA -0.784 51.339 52.037 0.143 0.000 0.714 814 A CB 1.229 20.309 19.000 0.132 0.000 1.279 814 A HN 0.396 nan 8.150 nan 0.000 0.397 815 V N 2.530 122.542 119.914 0.164 0.000 2.488 815 V HA 0.294 4.414 4.120 -0.001 0.000 0.277 815 V C 1.054 177.238 176.094 0.150 0.000 1.046 815 V CA -0.295 62.088 62.300 0.138 0.000 0.986 815 V CB 0.929 32.852 31.823 0.166 0.000 0.989 815 V HN 0.902 nan 8.190 nan 0.000 0.475 816 R N 6.763 127.331 120.500 0.114 0.000 2.404 816 R HA 0.189 4.528 4.340 -0.001 0.000 0.315 816 R C -2.272 174.113 176.300 0.143 0.000 1.032 816 R CA -1.047 55.120 56.100 0.111 0.000 0.992 816 R CB 0.395 30.742 30.300 0.078 0.000 0.959 816 R HN 0.510 nan 8.270 nan 0.000 0.428 817 P HA 0.110 nan 4.420 nan 0.000 0.272 817 P C -0.666 176.786 177.300 0.253 0.000 1.223 817 P CA -0.261 62.964 63.100 0.208 0.000 0.784 817 P CB 1.371 33.226 31.700 0.259 0.000 0.923 818 S N -0.823 115.025 115.700 0.247 0.000 2.787 818 S HA 0.452 4.921 4.470 -0.001 0.000 0.255 818 S C 0.382 175.037 174.600 0.091 0.000 1.051 818 S CA 0.056 58.412 58.200 0.260 0.000 1.124 818 S CB 0.594 63.884 63.200 0.151 0.000 1.104 818 S HN 0.782 nan 8.310 nan 0.000 0.623 819 G N 0.243 109.072 108.800 0.049 0.000 2.645 819 G HA2 0.728 4.688 3.960 -0.001 0.000 0.292 819 G HA3 0.728 4.688 3.960 -0.001 0.000 0.292 819 G C -0.402 174.387 174.900 -0.186 0.000 1.415 819 G CA 0.163 45.125 45.100 -0.231 0.000 0.785 819 G HN 0.826 nan 8.290 nan 0.000 0.483 820 A N -1.278 121.297 122.820 -0.408 0.000 6.226 820 A HA 0.226 4.546 4.320 -0.001 0.000 0.254 820 A C 0.180 177.316 177.584 -0.747 0.000 2.160 820 A CA 1.717 53.236 52.037 -0.863 0.000 0.705 820 A CB -1.449 16.898 19.000 -1.089 0.000 1.036 820 A HN 2.364 nan 8.150 nan 0.000 0.366 821 F N -3.383 115.908 119.950 -1.098 0.000 2.677 821 F HA 0.687 5.214 4.527 -0.001 0.000 0.388 821 F C -0.462 174.400 175.800 -1.564 0.000 1.400 821 F CA -0.915 56.178 58.000 -1.512 0.000 1.162 821 F CB -0.756 37.365 39.000 -1.465 0.000 1.135 821 F HN 0.498 nan 8.300 nan 0.000 0.516 822 Y N -0.642 119.385 120.300 -0.454 0.000 2.536 822 Y HA 0.789 5.338 4.550 -0.001 0.000 0.347 822 Y C -0.517 175.358 175.900 -0.042 0.000 1.000 822 Y CA -1.850 56.112 58.100 -0.230 0.000 1.051 822 Y CB 2.634 40.933 38.460 -0.268 0.000 1.259 822 Y HN -0.145 nan 8.280 nan 0.000 0.468 823 V N 3.707 123.736 119.914 0.193 0.000 2.623 823 V HA 0.314 4.433 4.120 -0.001 0.000 0.304 823 V C -0.742 175.403 176.094 0.085 0.000 1.054 823 V CA -0.853 61.554 62.300 0.178 0.000 0.882 823 V CB 2.097 34.070 31.823 0.250 0.000 1.002 823 V HN 0.607 nan 8.190 nan 0.000 0.424 824 L N 5.321 126.576 121.223 0.053 0.000 2.265 824 L HA 0.582 4.921 4.340 -0.001 0.000 0.288 824 L C -0.205 176.785 176.870 0.201 0.000 1.058 824 L CA -0.038 54.819 54.840 0.029 0.000 0.809 824 L CB 1.310 43.282 42.059 -0.145 0.000 1.179 824 L HN 0.645 nan 8.230 nan 0.000 0.429 825 M N 4.038 123.769 119.600 0.219 0.000 2.243 825 M HA 0.250 4.729 4.480 -0.001 0.000 0.324 825 M C -0.724 175.654 176.300 0.130 0.000 1.031 825 M CA -0.720 54.687 55.300 0.179 0.000 0.949 825 M CB 1.669 34.314 32.600 0.074 0.000 1.615 825 M HN 0.374 nan 8.290 nan 0.000 0.430 826 D N 3.372 123.785 120.400 0.022 0.000 2.346 826 D HA 0.024 4.664 4.640 -0.001 0.000 0.260 826 D C 0.654 176.845 176.300 -0.181 0.000 1.252 826 D CA 0.228 54.060 54.000 -0.279 0.000 0.895 826 D CB 1.015 41.704 40.800 -0.184 0.000 1.097 826 D HN 0.726 nan 8.370 nan 0.000 0.489 827 T N 0.339 114.775 114.554 -0.195 0.000 3.380 827 T HA -0.018 4.331 4.350 -0.001 0.000 0.250 827 T C 1.670 176.301 174.700 -0.115 0.000 1.082 827 T CA 0.074 62.090 62.100 -0.140 0.000 0.968 827 T CB 0.016 68.820 68.868 -0.107 0.000 1.027 827 T HN 0.181 nan 8.240 nan 0.000 0.575 828 S N 2.555 118.184 115.700 -0.118 0.000 2.370 828 S HA -0.016 4.453 4.470 -0.001 0.000 0.226 828 S C -0.513 174.050 174.600 -0.062 0.000 1.033 828 S CA 1.073 59.224 58.200 -0.081 0.000 1.011 828 S CB -1.014 62.141 63.200 -0.075 0.000 0.852 828 S HN 0.515 nan 8.310 nan 0.000 0.457 829 P HA 0.157 nan 4.420 nan 0.000 0.224 829 P C 1.089 178.357 177.300 -0.054 0.000 1.157 829 P CA 0.664 63.733 63.100 -0.051 0.000 0.799 829 P CB -0.007 31.663 31.700 -0.050 0.000 0.809 830 I N -1.558 118.967 120.570 -0.074 0.000 2.333 830 I HA 0.040 4.209 4.170 -0.001 0.000 0.246 830 I C 1.054 177.143 176.117 -0.047 0.000 1.106 830 I CA 0.475 61.731 61.300 -0.073 0.000 1.411 830 I CB -0.150 37.781 38.000 -0.116 0.000 1.082 830 I HN -0.097 nan 8.210 nan 0.000 0.420 831 A N -0.117 122.676 122.820 -0.045 0.000 2.586 831 A HA 0.461 4.780 4.320 -0.001 0.000 0.291 831 A C -2.238 175.331 177.584 -0.025 0.000 1.062 831 A CA -0.655 51.365 52.037 -0.028 0.000 0.666 831 A CB 0.265 19.253 19.000 -0.020 0.000 1.281 831 A HN -0.109 nan 8.150 nan 0.000 0.421 832 P HA 0.118 nan 4.420 nan 0.000 0.245 832 P C -0.388 176.912 177.300 0.000 0.000 1.212 832 P CA 1.398 64.492 63.100 -0.010 0.000 0.774 832 P CB -0.054 31.642 31.700 -0.006 0.000 0.999 833 D N -0.540 119.863 120.400 0.005 0.000 2.937 833 D HA -0.007 4.632 4.640 -0.001 0.000 0.215 833 D C 1.216 177.533 176.300 0.028 0.000 1.274 833 D CA -0.554 53.463 54.000 0.029 0.000 0.869 833 D CB 1.085 41.905 40.800 0.034 0.000 1.675 833 D HN -0.267 nan 8.370 nan 0.000 0.538 834 E N 2.368 122.595 120.200 0.046 0.000 2.147 834 E HA -0.202 4.148 4.350 -0.001 0.000 0.199 834 E C 1.208 177.832 176.600 0.040 0.000 1.005 834 E CA 1.718 58.140 56.400 0.037 0.000 0.810 834 E CB -0.488 29.248 29.700 0.061 0.000 0.736 834 E HN 0.335 nan 8.360 nan 0.000 0.460 835 V N 1.343 121.291 119.914 0.057 0.000 2.427 835 V HA -0.139 3.981 4.120 -0.001 0.000 0.248 835 V C 2.662 178.777 176.094 0.036 0.000 1.051 835 V CA 1.660 63.991 62.300 0.051 0.000 1.048 835 V CB -0.506 31.354 31.823 0.061 0.000 0.666 835 V HN 0.160 nan 8.190 nan 0.000 0.456 836 R N 0.118 120.635 120.500 0.028 0.000 2.153 836 R HA 0.119 4.458 4.340 -0.001 0.000 0.218 836 R C 2.290 178.594 176.300 0.008 0.000 1.072 836 R CA 1.257 57.368 56.100 0.018 0.000 0.990 836 R CB -0.840 29.468 30.300 0.013 0.000 0.889 836 R HN 0.521 nan 8.270 nan 0.000 0.452 837 A N 0.693 123.513 122.820 -0.000 0.000 1.930 837 A HA -0.010 4.309 4.320 -0.001 0.000 0.217 837 A C 2.280 179.857 177.584 -0.012 0.000 1.175 837 A CA 1.574 53.597 52.037 -0.022 0.000 0.627 837 A CB -0.401 18.573 19.000 -0.044 0.000 0.815 837 A HN 0.294 nan 8.150 nan 0.000 0.443 838 A N -0.042 122.784 122.820 0.010 0.000 1.930 838 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 838 A C 1.885 179.491 177.584 0.036 0.000 1.175 838 A CA 1.493 53.548 52.037 0.029 0.000 0.627 838 A CB -0.465 18.560 19.000 0.042 0.000 0.815 838 A HN 0.625 nan 8.150 nan 0.000 0.443 839 E N -0.642 119.576 120.200 0.029 0.000 2.051 839 E HA -0.201 4.148 4.350 -0.001 0.000 0.192 839 E C 2.316 178.933 176.600 0.030 0.000 0.991 839 E CA 1.143 57.561 56.400 0.030 0.000 0.799 839 E CB -0.181 29.534 29.700 0.025 0.000 0.748 839 E HN 0.532 nan 8.360 nan 0.000 0.449 840 R N 0.631 121.144 120.500 0.022 0.000 2.092 840 R HA -0.074 4.265 4.340 -0.001 0.000 0.231 840 R C 2.356 178.679 176.300 0.038 0.000 1.119 840 R CA 0.762 56.875 56.100 0.022 0.000 0.970 840 R CB -0.052 30.252 30.300 0.006 0.000 0.864 840 R HN 0.170 nan 8.270 nan 0.000 0.440 841 L N 0.442 121.692 121.223 0.044 0.000 2.109 841 L HA -0.160 4.180 4.340 -0.001 0.000 0.207 841 L C 2.436 179.372 176.870 0.110 0.000 1.086 841 L CA 0.486 55.383 54.840 0.095 0.000 0.760 841 L CB -0.399 41.720 42.059 0.100 0.000 0.910 841 L HN 0.290 nan 8.230 nan 0.000 0.437 842 L N 0.447 121.717 121.223 0.078 0.000 2.093 842 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 842 L C 2.339 179.242 176.870 0.055 0.000 1.085 842 L CA 1.898 56.778 54.840 0.067 0.000 0.755 842 L CB -0.520 41.571 42.059 0.053 0.000 0.904 842 L HN 0.373 nan 8.230 nan 0.000 0.435 843 E N -0.005 120.224 120.200 0.049 0.000 2.072 843 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 843 E C 2.058 178.685 176.600 0.045 0.000 0.985 843 E CA 1.155 57.578 56.400 0.040 0.000 0.801 843 E CB -0.144 29.576 29.700 0.034 0.000 0.750 843 E HN 0.564 nan 8.360 nan 0.000 0.452 844 A N 0.213 123.069 122.820 0.060 0.000 2.172 844 A HA 0.095 4.415 4.320 -0.001 0.000 0.216 844 A C 1.844 179.467 177.584 0.065 0.000 1.154 844 A CA 1.242 53.321 52.037 0.070 0.000 0.701 844 A CB -0.314 18.747 19.000 0.102 0.000 0.789 844 A HN 0.402 nan 8.150 nan 0.000 0.465 845 G N -2.899 105.938 108.800 0.060 0.000 2.192 845 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.193 845 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.193 845 G C -0.002 174.923 174.900 0.042 0.000 0.999 845 G CA -0.026 45.099 45.100 0.041 0.000 0.659 845 G HN 0.813 nan 8.290 nan 0.000 0.503 846 V N 1.371 121.335 119.914 0.084 0.000 2.448 846 V HA 0.819 4.938 4.120 -0.001 0.000 0.295 846 V C 0.588 176.751 176.094 0.116 0.000 1.025 846 V CA -0.280 62.075 62.300 0.091 0.000 0.859 846 V CB 1.538 33.447 31.823 0.144 0.000 0.988 846 V HN 1.058 nan 8.190 nan 0.000 0.431 847 A N 5.006 127.876 122.820 0.084 0.000 2.309 847 A HA 0.899 5.219 4.320 -0.001 0.000 0.298 847 A C -0.362 177.286 177.584 0.107 0.000 1.165 847 A CA -0.344 51.743 52.037 0.084 0.000 0.821 847 A CB 1.090 20.126 19.000 0.060 0.000 1.102 847 A HN 1.631 nan 8.150 nan 0.000 0.500 848 V N -0.104 119.876 119.914 0.110 0.000 3.147 848 V HA 0.675 4.794 4.120 -0.001 0.000 0.299 848 V C -0.765 175.385 176.094 0.093 0.000 1.302 848 V CA -0.873 61.497 62.300 0.117 0.000 1.015 848 V CB 1.240 33.149 31.823 0.143 0.000 1.086 848 V HN 0.697 nan 8.190 nan 0.000 0.437 849 V N 3.577 123.543 119.914 0.086 0.000 2.406 849 V HA 0.463 4.582 4.120 -0.001 0.000 0.272 849 V C -2.109 174.035 176.094 0.082 0.000 1.043 849 V CA -1.592 60.769 62.300 0.102 0.000 0.915 849 V CB 1.194 33.102 31.823 0.143 0.000 0.988 849 V HN 0.900 nan 8.190 nan 0.000 0.466 850 P HA 0.140 nan 4.420 nan 0.000 0.271 850 P C 0.877 178.258 177.300 0.136 0.000 1.216 850 P CA 0.052 63.205 63.100 0.089 0.000 0.776 850 P CB 0.822 32.573 31.700 0.084 0.000 0.881 851 G N 1.488 110.326 108.800 0.065 0.000 3.124 851 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.212 851 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.212 851 G C 0.995 175.878 174.900 -0.027 0.000 1.181 851 G CA 0.127 45.261 45.100 0.057 0.000 0.803 851 G HN 0.403 nan 8.290 nan 0.000 0.529 852 T N 0.822 115.356 114.554 -0.034 0.000 2.684 852 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 852 T C 1.676 176.261 174.700 -0.192 0.000 1.036 852 T CA 1.684 63.691 62.100 -0.154 0.000 1.148 852 T CB -0.198 68.692 68.868 0.037 0.000 0.863 852 T HN 0.348 nan 8.240 nan 0.000 0.436 853 D N 0.146 120.487 120.400 -0.098 0.000 2.363 853 D HA 0.077 4.716 4.640 -0.001 0.000 0.220 853 D C 0.870 176.965 176.300 -0.341 0.000 0.994 853 D CA 0.431 54.306 54.000 -0.209 0.000 0.890 853 D CB -0.175 40.453 40.800 -0.286 0.000 0.906 853 D HN 0.397 nan 8.370 nan 0.000 0.530 854 F N 0.174 119.949 119.950 -0.290 0.000 2.727 854 F HA 0.386 4.912 4.527 -0.001 0.000 0.302 854 F C 1.112 176.435 175.800 -0.794 0.000 1.097 854 F CA -0.187 57.550 58.000 -0.438 0.000 1.330 854 F CB 0.026 38.826 39.000 -0.333 0.000 1.084 854 F HN -0.188 nan 8.300 nan 0.000 0.578 855 A N 1.120 123.593 122.820 -0.578 0.000 2.416 855 A HA 0.090 4.409 4.320 -0.001 0.000 0.293 855 A C 0.497 177.721 177.584 -0.600 0.000 1.452 855 A CA 0.661 52.266 52.037 -0.719 0.000 0.738 855 A CB -1.781 16.976 19.000 -0.406 0.000 1.123 855 A HN 0.885 nan 8.150 nan 0.000 0.389 856 A N 0.705 123.109 122.820 -0.693 0.000 3.300 856 A HA 0.641 4.961 4.320 -0.001 0.000 0.300 856 A C -0.244 177.210 177.584 -0.216 0.000 1.099 856 A CA -0.490 51.367 52.037 -0.300 0.000 0.846 856 A CB 0.084 18.929 19.000 -0.258 0.000 1.255 856 A HN 0.998 nan 8.150 nan 0.000 0.519 857 F N 0.348 120.381 119.950 0.138 0.000 2.410 857 F HA 0.476 5.003 4.527 -0.001 0.000 0.334 857 F C 1.654 177.532 175.800 0.130 0.000 1.134 857 F CA 1.008 59.076 58.000 0.114 0.000 1.227 857 F CB 0.866 39.913 39.000 0.077 0.000 1.194 857 F HN 0.735 nan 8.300 nan 0.000 0.571 858 G N 0.800 109.724 108.800 0.207 0.000 2.203 858 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.263 858 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.263 858 G C -0.454 174.333 174.900 -0.189 0.000 1.012 858 G CA 0.232 45.342 45.100 0.017 0.000 0.749 858 G HN 0.877 nan 8.290 nan 0.000 0.512 859 H N -2.593 116.500 119.070 0.038 0.000 2.946 859 H HA 0.773 5.328 4.556 -0.001 0.000 0.365 859 H C -0.626 174.679 175.328 -0.039 0.000 1.197 859 H CA -0.325 55.723 56.048 -0.000 0.000 1.131 859 H CB 2.592 32.351 29.762 -0.005 0.000 1.849 859 H HN 0.389 nan 8.280 nan 0.000 0.555 860 V N 0.896 120.865 119.914 0.092 0.000 3.078 860 V HA 0.508 4.627 4.120 -0.001 0.000 0.311 860 V C -1.154 174.922 176.094 -0.030 0.000 1.138 860 V CA -0.749 61.559 62.300 0.013 0.000 1.007 860 V CB 2.312 34.139 31.823 0.007 0.000 1.045 860 V HN 0.695 nan 8.190 nan 0.000 0.432 861 R N 3.466 123.917 120.500 -0.082 0.000 2.343 861 R HA 0.648 4.987 4.340 -0.001 0.000 0.320 861 R C -1.906 174.409 176.300 0.025 0.000 0.956 861 R CA -0.641 55.386 56.100 -0.121 0.000 0.836 861 R CB 1.282 31.362 30.300 -0.367 0.000 1.151 861 R HN 0.480 nan 8.270 nan 0.000 0.450 862 L N 1.966 123.246 121.223 0.095 0.000 2.329 862 L HA 0.446 4.785 4.340 -0.001 0.000 0.279 862 L C 0.054 177.030 176.870 0.176 0.000 1.014 862 L CA -0.252 54.685 54.840 0.163 0.000 0.814 862 L CB 1.643 43.835 42.059 0.222 0.000 1.257 862 L HN 0.484 nan 8.230 nan 0.000 0.424 863 S N 1.643 117.430 115.700 0.144 0.000 2.482 863 S HA 0.540 5.009 4.470 -0.001 0.000 0.303 863 S C -0.434 174.154 174.600 -0.020 0.000 1.091 863 S CA -0.458 57.774 58.200 0.053 0.000 1.057 863 S CB 0.510 63.776 63.200 0.110 0.000 1.031 863 S HN 0.449 nan 8.310 nan 0.000 0.485 864 Y N 2.287 122.567 120.300 -0.033 0.000 2.833 864 Y HA 0.698 5.247 4.550 -0.001 0.000 0.339 864 Y C 0.390 176.227 175.900 -0.105 0.000 1.032 864 Y CA -0.959 57.112 58.100 -0.048 0.000 1.450 864 Y CB -0.465 37.997 38.460 0.004 0.000 1.296 864 Y HN 0.572 nan 8.280 nan 0.000 0.535 865 A N 0.877 123.521 122.820 -0.294 0.000 3.293 865 A HA 0.582 4.901 4.320 -0.001 0.000 0.282 865 A C 0.141 177.629 177.584 -0.160 0.000 1.394 865 A CA -0.067 51.775 52.037 -0.326 0.000 1.118 865 A CB -0.248 18.186 19.000 -0.943 0.000 1.133 865 A HN 0.446 nan 8.150 nan 0.000 0.627 866 T N -0.670 113.852 114.554 -0.054 0.000 2.802 866 T HA 0.485 4.835 4.350 -0.001 0.000 0.311 866 T C 0.061 174.733 174.700 -0.048 0.000 1.405 866 T CA 0.178 62.236 62.100 -0.070 0.000 1.016 866 T CB 1.159 69.997 68.868 -0.050 0.000 1.352 866 T HN 0.874 nan 8.240 nan 0.000 0.498 867 S N 1.604 117.260 115.700 -0.074 0.000 2.576 867 S HA 0.208 4.677 4.470 -0.001 0.000 0.272 867 S C 1.049 175.625 174.600 -0.039 0.000 1.352 867 S CA -0.202 57.959 58.200 -0.065 0.000 1.021 867 S CB 0.345 63.502 63.200 -0.073 0.000 0.887 867 S HN 0.801 nan 8.310 nan 0.000 0.542 868 E N 0.140 120.319 120.200 -0.036 0.000 2.409 868 E HA -0.150 4.199 4.350 -0.001 0.000 0.198 868 E C 1.434 178.010 176.600 -0.040 0.000 1.024 868 E CA 0.861 57.241 56.400 -0.034 0.000 0.861 868 E CB -0.061 29.619 29.700 -0.033 0.000 0.788 868 E HN 0.746 nan 8.360 nan 0.000 0.521 869 E N 1.090 121.265 120.200 -0.041 0.000 2.112 869 E HA -0.085 4.264 4.350 -0.001 0.000 0.190 869 E C 1.569 178.140 176.600 -0.049 0.000 0.979 869 E CA 0.796 57.171 56.400 -0.042 0.000 0.814 869 E CB 0.041 29.718 29.700 -0.037 0.000 0.762 869 E HN 0.083 nan 8.360 nan 0.000 0.460 870 N N -0.156 118.513 118.700 -0.051 0.000 2.300 870 N HA -0.020 4.719 4.740 -0.001 0.000 0.179 870 N C 1.700 177.163 175.510 -0.079 0.000 1.016 870 N CA 0.550 53.564 53.050 -0.060 0.000 0.876 870 N CB -0.037 38.419 38.487 -0.052 0.000 0.979 870 N HN 0.230 nan 8.380 nan 0.000 0.432 871 L N 0.576 121.759 121.223 -0.066 0.000 2.141 871 L HA -0.048 4.291 4.340 -0.001 0.000 0.209 871 L C 2.242 179.048 176.870 -0.107 0.000 1.094 871 L CA 0.896 55.689 54.840 -0.079 0.000 0.763 871 L CB -0.173 41.860 42.059 -0.042 0.000 0.908 871 L HN 0.086 nan 8.230 nan 0.000 0.437 872 R N 0.222 120.672 120.500 -0.083 0.000 2.115 872 R HA -0.087 4.253 4.340 -0.001 0.000 0.226 872 R C 2.222 178.466 176.300 -0.094 0.000 1.100 872 R CA 0.848 56.902 56.100 -0.077 0.000 0.980 872 R CB -0.142 30.126 30.300 -0.052 0.000 0.875 872 R HN 0.348 nan 8.270 nan 0.000 0.445 873 K N 0.594 120.935 120.400 -0.098 0.000 2.097 873 K HA -0.034 4.286 4.320 -0.001 0.000 0.205 873 K C 2.096 178.600 176.600 -0.160 0.000 1.050 873 K CA 1.302 57.530 56.287 -0.098 0.000 0.938 873 K CB -0.041 32.410 32.500 -0.080 0.000 0.718 873 K HN 0.115 nan 8.250 nan 0.000 0.442 874 A N 1.113 123.783 122.820 -0.249 0.000 1.968 874 A HA -0.030 4.290 4.320 -0.001 0.000 0.217 874 A C 2.018 179.201 177.584 -0.668 0.000 1.169 874 A CA 0.906 52.642 52.037 -0.501 0.000 0.638 874 A CB -0.374 18.305 19.000 -0.534 0.000 0.812 874 A HN 0.135 nan 8.150 nan 0.000 0.446 875 L N -0.692 120.317 121.223 -0.356 0.000 2.291 875 L HA -0.101 4.238 4.340 -0.001 0.000 0.214 875 L C 2.515 179.347 176.870 -0.063 0.000 1.120 875 L CA 1.258 55.992 54.840 -0.176 0.000 0.799 875 L CB -0.207 41.807 42.059 -0.074 0.000 0.925 875 L HN 0.595 nan 8.230 nan 0.000 0.446 876 E N 0.694 120.842 120.200 -0.086 0.000 2.028 876 E HA -0.199 4.150 4.350 -0.001 0.000 0.190 876 E C 2.238 178.840 176.600 0.003 0.000 0.984 876 E CA 0.947 57.329 56.400 -0.030 0.000 0.800 876 E CB 0.133 29.806 29.700 -0.045 0.000 0.758 876 E HN 0.397 nan 8.360 nan 0.000 0.448 877 R N -0.513 119.972 120.500 -0.025 0.000 2.148 877 R HA -0.016 4.323 4.340 -0.001 0.000 0.223 877 R C 2.315 178.735 176.300 0.199 0.000 1.088 877 R CA 0.955 57.085 56.100 0.049 0.000 0.985 877 R CB -0.186 30.121 30.300 0.011 0.000 0.880 877 R HN 0.302 nan 8.270 nan 0.000 0.451 878 F N 0.341 120.298 119.950 0.012 0.000 2.259 878 F HA -0.083 4.444 4.527 -0.001 0.000 0.298 878 F C 2.442 178.248 175.800 0.010 0.000 1.088 878 F CA 0.133 58.141 58.000 0.013 0.000 1.358 878 F CB 0.004 39.014 39.000 0.015 0.000 1.040 878 F HN 0.143 nan 8.300 nan 0.000 0.505 879 A N 0.205 123.142 122.820 0.195 0.000 2.119 879 A HA -0.066 4.254 4.320 -0.001 0.000 0.216 879 A C 2.039 179.670 177.584 0.079 0.000 1.152 879 A CA 0.612 52.714 52.037 0.108 0.000 0.708 879 A CB -0.385 18.659 19.000 0.073 0.000 0.805 879 A HN 0.266 nan 8.150 nan 0.000 0.460 880 R N -1.076 119.476 120.500 0.087 0.000 2.062 880 R HA -0.021 4.318 4.340 -0.001 0.000 0.226 880 R C 2.013 178.348 176.300 0.058 0.000 1.125 880 R CA 1.309 57.446 56.100 0.062 0.000 0.966 880 R CB -0.486 29.850 30.300 0.060 0.000 0.861 880 R HN 0.376 nan 8.270 nan 0.000 0.433 881 V N 1.506 121.466 119.914 0.077 0.000 3.141 881 V HA 0.042 4.161 4.120 -0.001 0.000 0.265 881 V C 0.388 176.499 176.094 0.029 0.000 1.126 881 V CA 0.868 63.199 62.300 0.051 0.000 1.141 881 V CB -0.621 31.235 31.823 0.056 0.000 0.743 881 V HN 0.305 nan 8.190 nan 0.000 0.492 882 L N 0.000 121.247 121.223 0.041 0.000 2.949 882 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 882 L CA 0.000 54.854 54.840 0.023 0.000 0.813 882 L CB 0.000 42.068 42.059 0.014 0.000 0.961 882 L HN 0.000 nan 8.230 nan 0.000 0.502