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 1gc3_1_B DATA FIRST_RESID 501 DATA SEQUENCE MRGLSRRVQA MKPDAVVAVN 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 0.000 176.302 176.300 0.004 0.000 1.140 501 M CA 0.000 55.301 55.300 0.002 0.000 0.988 501 M CB 0.000 32.601 32.600 0.002 0.000 1.302 502 R N -0.458 120.045 120.500 0.004 0.000 2.692 502 R HA 0.719 5.059 4.340 -0.001 0.000 0.269 502 R C -1.305 174.999 176.300 0.006 0.000 1.030 502 R CA -0.465 55.639 56.100 0.006 0.000 0.882 502 R CB 2.251 32.554 30.300 0.006 0.000 1.250 502 R HN 1.095 nan 8.270 nan 0.000 0.465 503 G N 1.238 110.043 108.800 0.008 0.000 2.326 503 G HA2 0.106 4.066 3.960 -0.001 0.000 0.413 503 G HA3 0.106 4.066 3.960 -0.001 0.000 0.413 503 G C -1.846 173.061 174.900 0.011 0.000 1.444 503 G CA -1.081 44.024 45.100 0.008 0.000 1.002 503 G HN 0.170 nan 8.290 nan 0.000 0.649 504 L N 0.894 122.125 121.223 0.014 0.000 2.421 504 L HA 0.621 4.960 4.340 -0.001 0.000 0.263 504 L C 1.639 178.519 176.870 0.017 0.000 1.122 504 L CA -0.306 54.546 54.840 0.020 0.000 0.804 504 L CB 1.074 43.149 42.059 0.026 0.000 1.150 504 L HN 0.999 nan 8.230 nan 0.000 0.457 505 S N 1.382 117.094 115.700 0.021 0.000 2.589 505 S HA 0.173 4.642 4.470 -0.001 0.000 0.265 505 S C 1.046 175.647 174.600 0.001 0.000 1.342 505 S CA -0.532 57.671 58.200 0.006 0.000 1.005 505 S CB 1.059 64.259 63.200 -0.001 0.000 0.909 505 S HN 0.547 nan 8.310 nan 0.000 0.555 506 R N 0.994 121.483 120.500 -0.019 0.000 2.280 506 R HA -0.036 4.303 4.340 -0.001 0.000 0.207 506 R C 2.186 178.469 176.300 -0.028 0.000 1.043 506 R CA 0.792 56.880 56.100 -0.021 0.000 1.006 506 R CB -0.231 30.051 30.300 -0.030 0.000 0.885 506 R HN 0.908 nan 8.270 nan 0.000 0.467 507 R N -1.501 118.969 120.500 -0.050 0.000 2.112 507 R HA 0.063 4.403 4.340 -0.001 0.000 0.216 507 R C 1.911 178.267 176.300 0.094 0.000 1.080 507 R CA 0.619 56.673 56.100 -0.076 0.000 0.996 507 R CB -0.580 29.521 30.300 -0.330 0.000 0.902 507 R HN -0.077 nan 8.270 nan 0.000 0.449 508 V N 1.522 121.515 119.914 0.132 0.000 2.535 508 V HA -0.105 4.015 4.120 -0.001 0.000 0.246 508 V C 2.254 178.408 176.094 0.100 0.000 1.045 508 V CA 1.494 63.907 62.300 0.188 0.000 1.058 508 V CB -0.016 31.909 31.823 0.170 0.000 0.689 508 V HN 0.374 nan 8.190 nan 0.000 0.461 509 Q N -0.201 119.635 119.800 0.061 0.000 2.046 509 Q HA -0.148 4.191 4.340 -0.001 0.000 0.200 509 Q C 2.324 178.344 176.000 0.034 0.000 0.975 509 Q CA 1.724 57.549 55.803 0.036 0.000 0.836 509 Q CB -0.397 28.354 28.738 0.021 0.000 0.896 509 Q HN 0.645 nan 8.270 nan 0.000 0.428 510 A N 1.541 124.382 122.820 0.035 0.000 2.131 510 A HA -0.117 4.203 4.320 -0.001 0.000 0.220 510 A C 1.346 178.953 177.584 0.038 0.000 1.158 510 A CA 0.631 52.685 52.037 0.029 0.000 0.665 510 A CB -0.793 18.217 19.000 0.016 0.000 0.795 510 A HN 0.485 nan 8.150 nan 0.000 0.460 511 M N -0.503 119.134 119.600 0.062 0.000 2.235 511 M HA 0.409 4.889 4.480 -0.001 0.000 0.351 511 M C -0.120 176.188 176.300 0.012 0.000 1.178 511 M CA -0.410 54.919 55.300 0.049 0.000 1.143 511 M CB 0.551 33.200 32.600 0.081 0.000 1.530 511 M HN 0.123 nan 8.290 nan 0.000 0.461 512 K N 3.974 124.370 120.400 -0.008 0.000 2.218 512 K HA 0.504 4.823 4.320 -0.001 0.000 0.276 512 K C -2.263 174.313 176.600 -0.040 0.000 1.022 512 K CA -1.207 55.067 56.287 -0.022 0.000 0.946 512 K CB 0.677 33.161 32.500 -0.027 0.000 1.000 512 K HN 0.555 nan 8.250 nan 0.000 0.468 513 P HA 0.010 nan 4.420 nan 0.000 0.291 513 P C -0.911 176.353 177.300 -0.061 0.000 1.287 513 P CA -0.118 62.957 63.100 -0.041 0.000 0.767 513 P CB 0.311 31.996 31.700 -0.024 0.000 1.290 514 D N -1.683 118.685 120.400 -0.054 0.000 2.303 514 D HA 0.366 5.005 4.640 -0.001 0.000 0.236 514 D C 1.023 177.295 176.300 -0.046 0.000 1.068 514 D CA -0.428 53.532 54.000 -0.066 0.000 0.830 514 D CB 1.757 42.521 40.800 -0.060 0.000 1.109 514 D HN 0.286 nan 8.370 nan 0.000 0.496 515 A N 3.223 125.999 122.820 -0.074 0.000 1.873 515 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 515 A C 2.043 179.644 177.584 0.029 0.000 1.193 515 A CA 1.975 53.993 52.037 -0.031 0.000 0.629 515 A CB -0.591 18.358 19.000 -0.085 0.000 0.826 515 A HN 0.475 nan 8.150 nan 0.000 0.447 516 V N -0.830 119.107 119.914 0.039 0.000 2.407 516 V HA -0.098 4.021 4.120 -0.001 0.000 0.245 516 V C 2.271 178.399 176.094 0.056 0.000 1.041 516 V CA 2.086 64.435 62.300 0.081 0.000 1.040 516 V CB -0.268 31.630 31.823 0.125 0.000 0.671 516 V HN 0.264 nan 8.190 nan 0.000 0.455 517 V N 0.867 120.800 119.914 0.032 0.000 2.594 517 V HA -0.177 3.943 4.120 -0.001 0.000 0.253 517 V C 2.779 178.885 176.094 0.019 0.000 1.069 517 V CA 1.940 64.254 62.300 0.023 0.000 1.082 517 V CB -0.991 30.835 31.823 0.005 0.000 0.680 517 V HN 0.683 nan 8.190 nan 0.000 0.469 518 A N -0.376 122.454 122.820 0.018 0.000 1.832 518 A HA -0.160 4.159 4.320 -0.001 0.000 0.214 518 A C 2.420 180.021 177.584 0.028 0.000 1.204 518 A CA 1.771 53.819 52.037 0.019 0.000 0.606 518 A CB -0.982 18.028 19.000 0.017 0.000 0.849 518 A HN 0.315 nan 8.150 nan 0.000 0.445 519 V N 0.914 120.852 119.914 0.040 0.000 2.546 519 V HA -0.292 3.828 4.120 -0.001 0.000 0.254 519 V C 2.095 178.214 176.094 0.042 0.000 1.076 519 V CA 2.818 65.146 62.300 0.047 0.000 1.087 519 V CB -1.046 30.814 31.823 0.063 0.000 0.674 519 V HN 0.605 nan 8.190 nan 0.000 0.470 520 N N 0.781 119.505 118.700 0.040 0.000 2.062 520 N HA -0.051 4.688 4.740 -0.001 0.000 0.191 520 N C 1.916 177.441 175.510 0.025 0.000 1.042 520 N CA 1.971 55.042 53.050 0.034 0.000 0.845 520 N CB -0.876 37.633 38.487 0.035 0.000 1.024 520 N HN 0.551 nan 8.380 nan 0.000 0.424 521 A N 1.407 124.240 122.820 0.021 0.000 1.865 521 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 521 A C 1.810 179.404 177.584 0.016 0.000 1.191 521 A CA 1.526 53.573 52.037 0.015 0.000 0.623 521 A CB -0.543 18.464 19.000 0.012 0.000 0.826 521 A HN 0.293 nan 8.150 nan 0.000 0.444 522 K N -0.210 120.201 120.400 0.019 0.000 2.633 522 K HA 0.099 4.418 4.320 -0.001 0.000 0.193 522 K C 1.488 178.101 176.600 0.022 0.000 1.033 522 K CA 0.307 56.606 56.287 0.020 0.000 0.980 522 K CB -0.273 32.241 32.500 0.023 0.000 0.800 522 K HN 0.536 nan 8.250 nan 0.000 0.493 523 A N 1.427 124.261 122.820 0.023 0.000 2.901 523 A HA 0.085 4.405 4.320 -0.001 0.000 0.212 523 A C 0.819 178.413 177.584 0.017 0.000 2.026 523 A CA -0.268 51.783 52.037 0.023 0.000 0.806 523 A CB -0.738 18.277 19.000 0.024 0.000 1.353 523 A HN 0.303 nan 8.150 nan 0.000 0.496 524 L N 0.015 121.246 121.223 0.014 0.000 8.218 524 L HA -0.125 4.214 4.340 -0.001 0.000 0.377 524 L C 0.153 177.028 176.870 0.009 0.000 1.804 524 L CA 1.464 56.310 54.840 0.010 0.000 0.420 524 L CB -1.651 40.414 42.059 0.009 0.000 1.396 524 L HN 0.718 nan 8.230 nan 0.000 0.184 525 E N 0.464 120.670 120.200 0.009 0.000 2.335 525 E HA 0.174 4.524 4.350 -0.001 0.000 0.200 525 E C -0.401 176.205 176.600 0.011 0.000 1.195 525 E CA 0.053 56.458 56.400 0.008 0.000 0.451 525 E CB -0.267 29.438 29.700 0.008 0.000 0.859 525 E HN 0.315 nan 8.360 nan 0.000 0.430 526 L N 1.561 122.791 121.223 0.011 0.000 1.246 526 L HA 0.110 4.449 4.340 -0.001 0.000 0.049 526 L C 1.147 178.023 176.870 0.011 0.000 1.542 526 L CA 1.277 56.125 54.840 0.013 0.000 1.111 526 L CB -0.980 41.089 42.059 0.016 0.000 2.220 526 L HN 0.205 nan 8.230 nan 0.000 0.434 527 R N 0.659 121.165 120.500 0.011 0.000 2.062 527 R HA -0.027 4.312 4.340 -0.001 0.000 0.231 527 R C 1.496 177.799 176.300 0.006 0.000 1.136 527 R CA 1.574 57.679 56.100 0.008 0.000 0.948 527 R CB -0.190 30.116 30.300 0.009 0.000 0.845 527 R HN 0.360 nan 8.270 nan 0.000 0.430 528 R N 0.927 121.430 120.500 0.006 0.000 4.054 528 R HA 0.024 4.363 4.340 -0.001 0.000 0.227 528 R C -0.469 175.834 176.300 0.004 0.000 1.902 528 R CA 0.504 56.606 56.100 0.004 0.000 1.590 528 R CB -0.030 30.273 30.300 0.004 0.000 1.245 528 R HN 0.326 nan 8.270 nan 0.000 0.647 529 Q N -1.187 118.616 119.800 0.004 0.000 3.480 529 Q HA 0.119 4.459 4.340 -0.001 0.000 0.209 529 Q C 0.040 176.042 176.000 0.005 0.000 0.679 529 Q CA 0.165 55.971 55.803 0.004 0.000 0.958 529 Q CB 1.264 30.005 28.738 0.006 0.000 1.546 529 Q HN 0.492 nan 8.270 nan 0.000 0.372 530 G N -0.050 108.752 108.800 0.004 0.000 4.526 530 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.217 530 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.217 530 G C 0.260 175.162 174.900 0.004 0.000 1.428 530 G CA -0.023 45.079 45.100 0.004 0.000 0.928 530 G HN 0.359 nan 8.290 nan 0.000 0.639 531 V N 4.367 124.285 119.914 0.006 0.000 2.479 531 V HA 0.293 4.413 4.120 -0.001 0.000 0.284 531 V C 0.653 176.752 176.094 0.008 0.000 0.981 531 V CA 0.762 63.067 62.300 0.008 0.000 1.139 531 V CB 0.276 32.106 31.823 0.012 0.000 0.947 531 V HN 0.706 nan 8.190 nan 0.000 0.468 532 D N 6.626 127.029 120.400 0.006 0.000 2.177 532 D HA 0.458 5.097 4.640 -0.001 0.000 0.247 532 D C -0.175 176.129 176.300 0.006 0.000 1.063 532 D CA -0.521 53.481 54.000 0.003 0.000 0.867 532 D CB 2.088 42.887 40.800 -0.002 0.000 1.168 532 D HN 0.406 nan 8.370 nan 0.000 0.445 533 L N -0.352 120.876 121.223 0.008 0.000 2.422 533 L HA 0.775 5.114 4.340 -0.001 0.000 0.263 533 L C -0.653 176.220 176.870 0.004 0.000 1.110 533 L CA -1.093 53.755 54.840 0.014 0.000 1.065 533 L CB 0.730 42.805 42.059 0.026 0.000 1.701 533 L HN 0.194 nan 8.230 nan 0.000 0.548 534 V N 0.171 120.089 119.914 0.008 0.000 2.482 534 V HA 0.613 4.732 4.120 -0.001 0.000 0.295 534 V C -0.006 176.095 176.094 0.012 0.000 1.026 534 V CA -0.457 61.837 62.300 -0.010 0.000 0.856 534 V CB 1.296 33.093 31.823 -0.043 0.000 1.001 534 V HN 0.882 nan 8.190 nan 0.000 0.424 535 A N 5.879 128.705 122.820 0.010 0.000 2.582 535 A HA 0.681 5.001 4.320 -0.001 0.000 0.336 535 A C 0.149 177.750 177.584 0.028 0.000 1.445 535 A CA -0.285 51.768 52.037 0.027 0.000 0.997 535 A CB -0.054 18.960 19.000 0.024 0.000 1.148 535 A HN 0.882 nan 8.150 nan 0.000 0.514 536 L N 2.876 124.131 121.223 0.053 0.000 2.968 536 L HA 0.096 4.436 4.340 -0.001 0.000 0.235 536 L C 1.772 178.693 176.870 0.085 0.000 1.323 536 L CA 0.362 55.239 54.840 0.062 0.000 1.159 536 L CB -0.525 41.593 42.059 0.098 0.000 1.523 536 L HN 0.858 nan 8.230 nan 0.000 0.468 537 T N -3.513 111.087 114.554 0.077 0.000 3.054 537 T HA 0.162 4.512 4.350 -0.001 0.000 0.259 537 T C 1.171 175.943 174.700 0.121 0.000 1.092 537 T CA 0.264 62.425 62.100 0.101 0.000 1.121 537 T CB 0.080 69.000 68.868 0.087 0.000 0.912 537 T HN 0.298 nan 8.240 nan 0.000 0.489 538 A N 1.066 123.932 122.820 0.075 0.000 2.602 538 A HA 0.373 4.693 4.320 -0.001 0.000 0.257 538 A C 1.550 179.231 177.584 0.161 0.000 0.973 538 A CA 0.516 52.586 52.037 0.054 0.000 0.862 538 A CB -0.557 18.397 19.000 -0.076 0.000 0.855 538 A HN 0.636 nan 8.150 nan 0.000 0.492 539 G N 1.760 110.681 108.800 0.201 0.000 2.743 539 G HA2 0.245 4.204 3.960 -0.001 0.000 0.206 539 G HA3 0.245 4.204 3.960 -0.001 0.000 0.206 539 G C 0.399 175.493 174.900 0.324 0.000 1.115 539 G CA 0.434 45.770 45.100 0.394 0.000 0.782 539 G HN 0.910 nan 8.290 nan 0.000 0.524 540 E N 2.001 122.268 120.200 0.113 0.000 2.231 540 E HA 0.399 4.749 4.350 -0.001 0.000 0.277 540 E C -2.717 173.845 176.600 -0.062 0.000 0.999 540 E CA -2.428 54.021 56.400 0.082 0.000 0.827 540 E CB 1.718 31.475 29.700 0.096 0.000 1.101 540 E HN 0.003 nan 8.360 nan 0.000 0.393 541 P HA -0.034 nan 4.420 nan 0.000 0.271 541 P C 0.123 177.512 177.300 0.148 0.000 1.216 541 P CA -0.104 63.108 63.100 0.188 0.000 0.771 541 P CB 0.827 32.859 31.700 0.554 0.000 0.864 542 D N 2.226 122.624 120.400 -0.003 0.000 2.310 542 D HA -0.122 4.518 4.640 -0.001 0.000 0.212 542 D C 0.385 176.611 176.300 -0.123 0.000 0.965 542 D CA 0.531 54.450 54.000 -0.135 0.000 0.879 542 D CB -0.501 40.133 40.800 -0.276 0.000 0.921 542 D HN 0.275 nan 8.370 nan 0.000 0.510 543 F N 1.362 121.380 119.950 0.114 0.000 2.450 543 F HA 0.184 4.711 4.527 -0.001 0.000 0.339 543 F C 1.295 177.231 175.800 0.227 0.000 1.146 543 F CA -0.548 57.551 58.000 0.164 0.000 1.267 543 F CB 0.413 39.524 39.000 0.185 0.000 1.178 543 F HN -0.245 nan 8.300 nan 0.000 0.585 544 D N 0.080 120.717 120.400 0.395 0.000 2.340 544 D HA 0.104 4.744 4.640 -0.001 0.000 0.251 544 D C -0.234 176.240 176.300 0.290 0.000 1.080 544 D CA -0.320 53.845 54.000 0.275 0.000 0.971 544 D CB 1.355 42.267 40.800 0.188 0.000 1.137 544 D HN 0.542 nan 8.370 nan 0.000 0.475 545 T N 0.300 114.971 114.554 0.194 0.000 2.930 545 T HA 0.327 4.676 4.350 -0.001 0.000 0.306 545 T C -2.330 172.278 174.700 -0.153 0.000 1.045 545 T CA -1.170 60.936 62.100 0.010 0.000 1.134 545 T CB 0.670 69.639 68.868 0.168 0.000 0.961 545 T HN 0.114 nan 8.240 nan 0.000 0.545 546 P HA 0.034 nan 4.420 nan 0.000 0.263 546 P C 0.883 178.067 177.300 -0.192 0.000 1.175 546 P CA 0.008 62.869 63.100 -0.398 0.000 0.761 546 P CB 0.402 31.726 31.700 -0.627 0.000 0.794 547 E N 2.149 122.352 120.200 0.004 0.000 2.265 547 E HA -0.206 4.144 4.350 -0.001 0.000 0.196 547 E C 1.599 178.221 176.600 0.037 0.000 0.996 547 E CA 1.191 57.614 56.400 0.038 0.000 0.832 547 E CB -0.222 29.519 29.700 0.069 0.000 0.756 547 E HN 0.641 nan 8.360 nan 0.000 0.491 548 H N -0.764 118.241 119.070 -0.108 0.000 2.502 548 H HA 0.000 4.556 4.556 -0.001 0.000 0.283 548 H C 2.145 177.388 175.328 -0.141 0.000 1.015 548 H CA 1.231 57.212 56.048 -0.111 0.000 1.298 548 H CB -0.825 28.861 29.762 -0.126 0.000 1.411 548 H HN 0.129 nan 8.280 nan 0.000 0.556 549 V N 0.362 119.908 119.914 -0.613 0.000 2.446 549 V HA -0.071 4.048 4.120 -0.001 0.000 0.244 549 V C 2.271 178.211 176.094 -0.258 0.000 1.039 549 V CA 1.089 63.048 62.300 -0.569 0.000 1.045 549 V CB -0.348 31.009 31.823 -0.775 0.000 0.681 549 V HN 0.110 nan 8.190 nan 0.000 0.459 550 K N 0.237 120.584 120.400 -0.089 0.000 2.032 550 K HA -0.250 4.069 4.320 -0.001 0.000 0.209 550 K C 2.268 178.919 176.600 0.085 0.000 1.048 550 K CA 2.241 58.608 56.287 0.132 0.000 0.927 550 K CB -0.272 32.302 32.500 0.124 0.000 0.712 550 K HN 0.607 nan 8.250 nan 0.000 0.441 551 E N 0.887 121.102 120.200 0.025 0.000 2.077 551 E HA -0.164 4.185 4.350 -0.001 0.000 0.193 551 E C 1.778 178.384 176.600 0.010 0.000 0.989 551 E CA 1.434 57.847 56.400 0.022 0.000 0.800 551 E CB -0.145 29.566 29.700 0.019 0.000 0.746 551 E HN 0.309 nan 8.360 nan 0.000 0.452 552 A N 0.731 123.541 122.820 -0.017 0.000 1.940 552 A HA -0.122 4.198 4.320 -0.001 0.000 0.219 552 A C 2.420 180.015 177.584 0.018 0.000 1.176 552 A CA 2.096 54.122 52.037 -0.018 0.000 0.631 552 A CB -1.025 17.945 19.000 -0.049 0.000 0.814 552 A HN 0.402 nan 8.150 nan 0.000 0.446 553 A N -0.066 122.795 122.820 0.068 0.000 1.877 553 A HA -0.177 4.143 4.320 -0.001 0.000 0.216 553 A C 2.236 179.880 177.584 0.099 0.000 1.186 553 A CA 1.564 53.703 52.037 0.169 0.000 0.620 553 A CB -0.506 18.739 19.000 0.410 0.000 0.822 553 A HN 0.563 nan 8.150 nan 0.000 0.443 554 R N -1.087 119.456 120.500 0.073 0.000 2.091 554 R HA -0.145 4.195 4.340 -0.001 0.000 0.238 554 R C 2.483 178.778 176.300 -0.009 0.000 1.136 554 R CA 1.682 57.800 56.100 0.030 0.000 0.959 554 R CB -0.319 29.995 30.300 0.024 0.000 0.856 554 R HN 0.493 nan 8.270 nan 0.000 0.437 555 R N 0.436 120.920 120.500 -0.025 0.000 2.105 555 R HA -0.135 4.205 4.340 -0.001 0.000 0.239 555 R C 2.202 178.428 176.300 -0.124 0.000 1.135 555 R CA 1.564 57.622 56.100 -0.070 0.000 0.967 555 R CB -0.210 30.045 30.300 -0.074 0.000 0.861 555 R HN 0.273 nan 8.270 nan 0.000 0.442 556 A N 0.368 123.113 122.820 -0.125 0.000 1.898 556 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 556 A C 2.078 179.593 177.584 -0.115 0.000 1.181 556 A CA 1.002 52.918 52.037 -0.202 0.000 0.620 556 A CB -0.461 18.463 19.000 -0.127 0.000 0.819 556 A HN 0.273 nan 8.150 nan 0.000 0.442 557 L N -0.546 120.651 121.223 -0.043 0.000 1.989 557 L HA -0.245 4.095 4.340 -0.001 0.000 0.211 557 L C 3.150 179.992 176.870 -0.047 0.000 1.071 557 L CA 1.313 56.138 54.840 -0.025 0.000 0.749 557 L CB -0.701 41.354 42.059 -0.006 0.000 0.890 557 L HN 0.431 nan 8.230 nan 0.000 0.431 558 A N -0.369 122.419 122.820 -0.053 0.000 1.873 558 A HA -0.291 4.028 4.320 -0.001 0.000 0.218 558 A C 2.127 179.667 177.584 -0.073 0.000 1.193 558 A CA 1.908 53.912 52.037 -0.056 0.000 0.629 558 A CB -0.684 18.284 19.000 -0.055 0.000 0.826 558 A HN 0.556 nan 8.150 nan 0.000 0.447 559 Q N -1.266 118.468 119.800 -0.110 0.000 2.515 559 Q HA 0.203 4.543 4.340 -0.001 0.000 0.212 559 Q C 0.954 176.887 176.000 -0.112 0.000 0.970 559 Q CA 0.304 56.028 55.803 -0.132 0.000 0.941 559 Q CB -0.271 28.340 28.738 -0.213 0.000 0.998 559 Q HN 0.954 nan 8.270 nan 0.000 0.518 560 G N 2.054 110.804 108.800 -0.083 0.000 2.295 560 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.287 560 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.287 560 G C -0.129 174.744 174.900 -0.044 0.000 1.055 560 G CA -0.076 44.993 45.100 -0.051 0.000 0.922 560 G HN 0.105 nan 8.290 nan 0.000 0.503 561 K N 0.801 121.160 120.400 -0.068 0.000 2.502 561 K HA 0.277 4.596 4.320 -0.001 0.000 0.244 561 K C 1.244 177.890 176.600 0.078 0.000 1.249 561 K CA 0.593 56.873 56.287 -0.011 0.000 1.193 561 K CB 0.526 32.905 32.500 -0.201 0.000 1.674 561 K HN 0.482 nan 8.250 nan 0.000 0.302 562 T N -1.374 113.210 114.554 0.051 0.000 3.231 562 T HA 0.234 4.584 4.350 -0.001 0.000 0.292 562 T C 0.080 174.781 174.700 0.002 0.000 1.001 562 T CA -0.315 61.806 62.100 0.035 0.000 0.920 562 T CB 0.267 69.136 68.868 0.002 0.000 1.140 562 T HN 0.074 nan 8.240 nan 0.000 0.525 563 K N 0.395 120.816 120.400 0.035 0.000 2.210 563 K HA 0.550 4.870 4.320 -0.001 0.000 0.236 563 K C -0.851 175.791 176.600 0.069 0.000 1.016 563 K CA -0.858 55.429 56.287 0.001 0.000 0.913 563 K CB 0.639 33.166 32.500 0.046 0.000 1.141 563 K HN 0.241 nan 8.250 nan 0.000 0.462 564 Y N 1.046 121.381 120.300 0.058 0.000 2.721 564 Y HA 0.027 4.576 4.550 -0.001 0.000 0.329 564 Y C 0.656 176.587 175.900 0.053 0.000 1.211 564 Y CA -0.446 57.685 58.100 0.051 0.000 1.512 564 Y CB 0.355 38.839 38.460 0.039 0.000 1.249 564 Y HN 0.482 nan 8.280 nan 0.000 0.549 565 A N 6.452 129.410 122.820 0.229 0.000 2.252 565 A HA 0.604 4.923 4.320 -0.001 0.000 0.305 565 A C -2.442 175.192 177.584 0.084 0.000 1.097 565 A CA -1.891 50.220 52.037 0.122 0.000 0.849 565 A CB 0.268 19.313 19.000 0.075 0.000 1.142 565 A HN 0.480 nan 8.150 nan 0.000 0.499 566 P HA 0.151 nan 4.420 nan 0.000 0.272 566 P C -1.777 175.531 177.300 0.013 0.000 1.230 566 P CA -1.034 62.076 63.100 0.016 0.000 0.788 566 P CB 0.307 32.008 31.700 0.003 0.000 0.949 567 P HA -0.176 nan 4.420 nan 0.000 0.218 567 P C 0.693 178.003 177.300 0.017 0.000 1.148 567 P CA 1.632 64.737 63.100 0.008 0.000 0.822 567 P CB -0.188 31.511 31.700 -0.002 0.000 0.784 568 A N -0.737 122.089 122.820 0.010 0.000 2.251 568 A HA 0.499 4.819 4.320 -0.001 0.000 0.209 568 A C 1.062 178.653 177.584 0.011 0.000 1.187 568 A CA 0.630 52.675 52.037 0.014 0.000 0.823 568 A CB -0.855 18.149 19.000 0.006 0.000 0.846 568 A HN 0.432 nan 8.150 nan 0.000 0.486 569 G N -0.376 108.425 108.800 0.002 0.000 2.612 569 G HA2 0.011 3.971 3.960 -0.001 0.000 0.686 569 G HA3 0.011 3.971 3.960 -0.001 0.000 0.686 569 G C -0.135 174.727 174.900 -0.063 0.000 1.274 569 G CA -0.537 44.550 45.100 -0.021 0.000 0.849 569 G HN 1.274 nan 8.290 nan 0.000 0.595 570 I N -0.883 119.606 120.570 -0.134 0.000 2.752 570 I HA 0.358 4.527 4.170 -0.001 0.000 0.287 570 I C -1.035 174.977 176.117 -0.175 0.000 1.188 570 I CA -1.440 59.739 61.300 -0.202 0.000 1.427 570 I CB 0.606 38.340 38.000 -0.444 0.000 1.365 570 I HN 0.293 nan 8.210 nan 0.000 0.585 571 P HA -0.183 nan 4.420 nan 0.000 0.213 571 P C 1.192 178.424 177.300 -0.114 0.000 1.170 571 P CA 1.662 64.708 63.100 -0.089 0.000 0.902 571 P CB 0.125 31.794 31.700 -0.051 0.000 0.789 572 E N -0.678 119.426 120.200 -0.160 0.000 2.114 572 E HA -0.199 4.151 4.350 -0.001 0.000 0.199 572 E C 2.010 178.513 176.600 -0.161 0.000 1.008 572 E CA 1.004 57.314 56.400 -0.151 0.000 0.810 572 E CB -1.092 28.489 29.700 -0.197 0.000 0.739 572 E HN 0.194 nan 8.360 nan 0.000 0.456 573 L N 0.094 121.182 121.223 -0.224 0.000 2.131 573 L HA -0.089 4.250 4.340 -0.001 0.000 0.206 573 L C 2.244 179.041 176.870 -0.122 0.000 1.087 573 L CA 1.058 55.790 54.840 -0.181 0.000 0.767 573 L CB -0.033 41.907 42.059 -0.199 0.000 0.917 573 L HN 0.116 nan 8.230 nan 0.000 0.441 574 R N -0.080 120.363 120.500 -0.094 0.000 2.070 574 R HA -0.195 4.144 4.340 -0.001 0.000 0.233 574 R C 2.034 178.313 176.300 -0.035 0.000 1.137 574 R CA 1.747 57.819 56.100 -0.046 0.000 0.945 574 R CB -0.336 29.944 30.300 -0.033 0.000 0.845 574 R HN 0.489 nan 8.270 nan 0.000 0.430 575 E N 0.554 120.728 120.200 -0.043 0.000 2.051 575 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 575 E C 2.027 178.606 176.600 -0.034 0.000 0.991 575 E CA 1.220 57.604 56.400 -0.028 0.000 0.799 575 E CB -0.142 29.542 29.700 -0.026 0.000 0.748 575 E HN 0.361 nan 8.360 nan 0.000 0.449 576 A N 0.934 123.717 122.820 -0.061 0.000 2.015 576 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 576 A C 2.059 179.577 177.584 -0.110 0.000 1.163 576 A CA 0.767 52.759 52.037 -0.076 0.000 0.646 576 A CB -0.239 18.708 19.000 -0.089 0.000 0.806 576 A HN 0.096 nan 8.150 nan 0.000 0.448 577 L N -0.379 120.773 121.223 -0.118 0.000 2.007 577 L HA 0.012 4.352 4.340 -0.001 0.000 0.205 577 L C 2.886 179.770 176.870 0.023 0.000 1.073 577 L CA 1.957 56.701 54.840 -0.160 0.000 0.744 577 L CB -1.268 40.734 42.059 -0.095 0.000 0.898 577 L HN 0.365 nan 8.230 nan 0.000 0.435 578 A N -1.018 121.864 122.820 0.102 0.000 2.042 578 A HA -0.288 4.032 4.320 -0.001 0.000 0.222 578 A C 2.245 179.899 177.584 0.116 0.000 1.167 578 A CA 2.039 54.168 52.037 0.153 0.000 0.649 578 A CB -0.542 18.498 19.000 0.066 0.000 0.809 578 A HN 0.506 nan 8.150 nan 0.000 0.457 579 E N 0.140 120.361 120.200 0.035 0.000 2.076 579 E HA -0.123 4.227 4.350 -0.001 0.000 0.190 579 E C 2.040 178.636 176.600 -0.006 0.000 0.979 579 E CA 1.397 57.806 56.400 0.014 0.000 0.807 579 E CB -0.203 29.491 29.700 -0.011 0.000 0.761 579 E HN 0.505 nan 8.360 nan 0.000 0.454 580 K N -0.200 120.148 120.400 -0.087 0.000 2.147 580 K HA -0.137 4.183 4.320 -0.001 0.000 0.205 580 K C 1.830 178.338 176.600 -0.153 0.000 1.049 580 K CA 1.140 57.329 56.287 -0.163 0.000 0.936 580 K CB -0.395 31.909 32.500 -0.326 0.000 0.722 580 K HN 0.251 nan 8.250 nan 0.000 0.446 581 F N 0.955 120.884 119.950 -0.034 0.000 2.234 581 F HA -0.064 4.462 4.527 -0.001 0.000 0.299 581 F C 2.595 178.385 175.800 -0.017 0.000 1.087 581 F CA 0.895 58.881 58.000 -0.022 0.000 1.340 581 F CB 0.117 39.100 39.000 -0.028 0.000 1.031 581 F HN 0.006 nan 8.300 nan 0.000 0.500 582 R N -0.213 120.380 120.500 0.155 0.000 2.046 582 R HA -0.024 4.315 4.340 -0.001 0.000 0.223 582 R C 2.296 178.632 176.300 0.061 0.000 1.179 582 R CA 0.803 56.956 56.100 0.088 0.000 0.952 582 R CB -0.594 29.742 30.300 0.060 0.000 0.843 582 R HN 0.045 nan 8.270 nan 0.000 0.439 583 R N 1.459 121.985 120.500 0.043 0.000 2.136 583 R HA -0.244 4.095 4.340 -0.001 0.000 0.242 583 R C 1.705 178.028 176.300 0.039 0.000 1.131 583 R CA 2.260 58.380 56.100 0.033 0.000 0.937 583 R CB -0.173 30.139 30.300 0.020 0.000 0.863 583 R HN 0.267 nan 8.270 nan 0.000 0.435 584 E N -1.222 118.999 120.200 0.035 0.000 2.371 584 E HA -0.042 4.308 4.350 -0.001 0.000 0.194 584 E C 0.944 177.574 176.600 0.050 0.000 1.012 584 E CA 0.981 57.408 56.400 0.045 0.000 0.860 584 E CB 0.270 29.995 29.700 0.041 0.000 0.811 584 E HN 0.522 nan 8.360 nan 0.000 0.502 585 N N -1.904 116.833 118.700 0.062 0.000 2.239 585 N HA 0.123 4.863 4.740 -0.001 0.000 0.208 585 N C 0.729 176.257 175.510 0.031 0.000 1.200 585 N CA 0.337 53.427 53.050 0.066 0.000 0.895 585 N CB 1.724 40.291 38.487 0.134 0.000 1.085 585 N HN 0.125 nan 8.380 nan 0.000 0.500 586 G N 0.862 109.687 108.800 0.043 0.000 2.179 586 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.260 586 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.260 586 G C -0.355 174.553 174.900 0.014 0.000 0.977 586 G CA -0.032 45.083 45.100 0.024 0.000 0.641 586 G HN 0.093 nan 8.290 nan 0.000 0.533 587 L N 2.230 123.473 121.223 0.033 0.000 2.278 587 L HA 0.538 4.878 4.340 -0.001 0.000 0.287 587 L C 1.071 177.954 176.870 0.021 0.000 1.072 587 L CA 0.341 55.184 54.840 0.005 0.000 0.819 587 L CB 1.743 43.794 42.059 -0.014 0.000 1.176 587 L HN 0.351 nan 8.230 nan 0.000 0.435 588 S N 2.984 118.684 115.700 -0.000 0.000 3.363 588 S HA 0.511 4.980 4.470 -0.001 0.000 0.267 588 S C -0.055 174.537 174.600 -0.013 0.000 1.288 588 S CA -0.837 57.366 58.200 0.005 0.000 0.948 588 S CB -0.021 63.182 63.200 0.005 0.000 1.397 588 S HN 0.395 nan 8.310 nan 0.000 0.493 589 V N 0.272 120.177 119.914 -0.015 0.000 2.975 589 V HA 0.931 5.051 4.120 -0.001 0.000 0.318 589 V C 0.138 176.227 176.094 -0.010 0.000 1.077 589 V CA -0.562 61.714 62.300 -0.039 0.000 1.000 589 V CB 1.302 33.064 31.823 -0.102 0.000 1.066 589 V HN 0.775 nan 8.190 nan 0.000 0.452 590 T N -1.077 113.467 114.554 -0.017 0.000 2.885 590 T HA 0.584 4.933 4.350 -0.001 0.000 0.285 590 T C -1.570 173.127 174.700 -0.006 0.000 1.019 590 T CA -1.861 60.236 62.100 -0.005 0.000 1.010 590 T CB 1.754 70.617 68.868 -0.009 0.000 1.022 590 T HN 0.634 nan 8.240 nan 0.000 0.466 591 P HA -0.147 nan 4.420 nan 0.000 0.221 591 P C 0.725 178.022 177.300 -0.005 0.000 1.141 591 P CA 1.161 64.263 63.100 0.002 0.000 0.794 591 P CB 0.229 31.928 31.700 -0.003 0.000 0.764 592 E N 0.301 120.495 120.200 -0.010 0.000 2.216 592 E HA -0.092 4.258 4.350 -0.001 0.000 0.192 592 E C 1.208 177.796 176.600 -0.019 0.000 0.988 592 E CA 0.774 57.167 56.400 -0.012 0.000 0.834 592 E CB -0.549 29.144 29.700 -0.012 0.000 0.772 592 E HN 0.495 nan 8.360 nan 0.000 0.479 593 E N 0.113 120.295 120.200 -0.029 0.000 2.311 593 E HA 0.132 4.482 4.350 -0.001 0.000 0.198 593 E C -0.422 176.136 176.600 -0.070 0.000 1.115 593 E CA 0.053 56.422 56.400 -0.051 0.000 1.140 593 E CB 0.510 30.173 29.700 -0.062 0.000 1.204 593 E HN -0.116 nan 8.360 nan 0.000 0.446 594 T N 0.943 115.478 114.554 -0.032 0.000 2.933 594 T HA 0.566 4.915 4.350 -0.001 0.000 0.305 594 T C -1.348 173.369 174.700 0.028 0.000 1.092 594 T CA -0.488 61.612 62.100 0.000 0.000 1.008 594 T CB 1.671 70.567 68.868 0.047 0.000 1.102 594 T HN 0.116 nan 8.240 nan 0.000 0.469 595 I N 2.619 123.231 120.570 0.070 0.000 2.752 595 I HA 0.680 4.850 4.170 -0.001 0.000 0.295 595 I C -1.360 174.840 176.117 0.138 0.000 1.219 595 I CA -0.932 60.413 61.300 0.074 0.000 1.030 595 I CB 1.898 39.925 38.000 0.046 0.000 1.259 595 I HN 0.416 nan 8.210 nan 0.000 0.423 596 V N 7.356 127.339 119.914 0.115 0.000 2.313 596 V HA 0.497 4.616 4.120 -0.001 0.000 0.278 596 V C 0.165 176.323 176.094 0.106 0.000 1.017 596 V CA 0.180 62.574 62.300 0.156 0.000 0.823 596 V CB 1.347 33.251 31.823 0.136 0.000 1.010 596 V HN 0.886 nan 8.190 nan 0.000 0.443 597 T N 3.362 117.976 114.554 0.101 0.000 2.824 597 T HA 0.448 4.797 4.350 -0.001 0.000 0.277 597 T C 0.242 174.979 174.700 0.061 0.000 0.975 597 T CA -0.536 61.608 62.100 0.074 0.000 0.966 597 T CB 1.463 70.373 68.868 0.070 0.000 1.054 597 T HN 0.514 nan 8.240 nan 0.000 0.533 598 V N 2.017 121.965 119.914 0.057 0.000 2.055 598 V HA 0.537 4.657 4.120 -0.001 0.000 0.248 598 V C 1.240 177.356 176.094 0.037 0.000 1.476 598 V CA 0.531 62.861 62.300 0.050 0.000 1.417 598 V CB -1.439 30.410 31.823 0.043 0.000 1.465 598 V HN 1.445 nan 8.190 nan 0.000 0.502 599 G N 2.708 111.519 108.800 0.018 0.000 2.699 599 G HA2 0.056 4.015 3.960 -0.001 0.000 0.686 599 G HA3 0.056 4.015 3.960 -0.001 0.000 0.686 599 G C 0.634 175.522 174.900 -0.020 0.000 1.301 599 G CA -0.384 44.711 45.100 -0.010 0.000 0.816 599 G HN 0.852 nan 8.290 nan 0.000 0.595 600 G N -0.346 108.419 108.800 -0.059 0.000 2.498 600 G HA2 0.118 4.078 3.960 -0.001 0.000 0.219 600 G HA3 0.118 4.078 3.960 -0.001 0.000 0.219 600 G C 1.949 176.899 174.900 0.083 0.000 1.119 600 G CA 2.157 47.237 45.100 -0.033 0.000 0.766 600 G HN 1.146 nan 8.290 nan 0.000 0.552 601 S N 0.323 116.088 115.700 0.109 0.000 2.335 601 S HA -0.158 4.312 4.470 -0.001 0.000 0.216 601 S C 2.231 176.941 174.600 0.184 0.000 1.032 601 S CA 1.453 59.769 58.200 0.192 0.000 1.000 601 S CB -0.457 62.832 63.200 0.149 0.000 0.928 601 S HN 0.584 nan 8.310 nan 0.000 0.434 602 Q N 1.405 121.275 119.800 0.116 0.000 2.268 602 Q HA -0.173 4.167 4.340 -0.001 0.000 0.210 602 Q C 1.834 177.942 176.000 0.181 0.000 0.988 602 Q CA 1.667 57.554 55.803 0.140 0.000 0.883 602 Q CB -0.376 28.409 28.738 0.077 0.000 0.911 602 Q HN 0.511 nan 8.270 nan 0.000 0.430 603 A N 0.477 123.374 122.820 0.128 0.000 1.840 603 A HA -0.095 4.225 4.320 -0.001 0.000 0.214 603 A C 2.047 179.683 177.584 0.086 0.000 1.198 603 A CA 1.252 53.342 52.037 0.088 0.000 0.608 603 A CB -0.767 18.268 19.000 0.058 0.000 0.839 603 A HN 0.452 nan 8.150 nan 0.000 0.443 604 L N -1.896 119.416 121.223 0.148 0.000 2.079 604 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 604 L C 2.434 179.463 176.870 0.265 0.000 1.081 604 L CA 1.622 56.564 54.840 0.170 0.000 0.752 604 L CB -0.442 41.860 42.059 0.405 0.000 0.896 604 L HN 0.539 nan 8.230 nan 0.000 0.433 605 F N 1.183 121.236 119.950 0.171 0.000 2.022 605 F HA -0.200 4.327 4.527 -0.001 0.000 0.293 605 F C 2.340 178.223 175.800 0.139 0.000 1.142 605 F CA 1.727 59.840 58.000 0.188 0.000 1.177 605 F CB -0.350 38.715 39.000 0.109 0.000 0.982 605 F HN 0.057 nan 8.300 nan 0.000 0.473 606 N N 0.942 119.793 118.700 0.252 0.000 2.247 606 N HA -0.228 4.511 4.740 -0.001 0.000 0.189 606 N C 1.945 177.425 175.510 -0.050 0.000 1.009 606 N CA 1.354 54.458 53.050 0.090 0.000 0.872 606 N CB -0.658 37.906 38.487 0.128 0.000 0.980 606 N HN 0.446 nan 8.380 nan 0.000 0.436 607 L N -0.645 120.514 121.223 -0.107 0.000 1.973 607 L HA -0.078 4.262 4.340 -0.001 0.000 0.208 607 L C 1.558 178.272 176.870 -0.259 0.000 1.073 607 L CA 1.300 55.985 54.840 -0.259 0.000 0.746 607 L CB -0.341 41.456 42.059 -0.437 0.000 0.891 607 L HN 0.034 nan 8.230 nan 0.000 0.433 608 F N -0.324 119.555 119.950 -0.119 0.000 2.307 608 F HA -0.231 4.295 4.527 -0.001 0.000 0.301 608 F C 2.657 178.347 175.800 -0.182 0.000 1.076 608 F CA 0.586 58.501 58.000 -0.141 0.000 1.383 608 F CB -0.188 38.745 39.000 -0.111 0.000 1.055 608 F HN 0.271 nan 8.300 nan 0.000 0.526 609 Q N -0.149 119.603 119.800 -0.081 0.000 2.311 609 Q HA 0.007 4.346 4.340 -0.001 0.000 0.203 609 Q C 2.371 178.323 176.000 -0.081 0.000 0.954 609 Q CA 1.084 56.805 55.803 -0.136 0.000 0.885 609 Q CB -0.244 28.361 28.738 -0.221 0.000 0.963 609 Q HN 0.469 nan 8.270 nan 0.000 0.471 610 A N 0.685 123.452 122.820 -0.087 0.000 1.943 610 A HA 0.030 4.350 4.320 -0.001 0.000 0.213 610 A C 1.876 179.401 177.584 -0.098 0.000 1.181 610 A CA 0.573 52.556 52.037 -0.089 0.000 0.653 610 A CB -0.189 18.745 19.000 -0.109 0.000 0.833 610 A HN 0.345 nan 8.150 nan 0.000 0.451 611 I N -3.359 117.136 120.570 -0.126 0.000 4.785 611 I HA 0.247 4.417 4.170 -0.001 0.000 0.227 611 I C -0.022 176.084 176.117 -0.017 0.000 0.968 611 I CA -0.717 60.512 61.300 -0.119 0.000 1.561 611 I CB -0.980 36.865 38.000 -0.258 0.000 1.418 611 I HN -0.063 nan 8.210 nan 0.000 0.449 612 L N 3.220 124.464 121.223 0.035 0.000 3.505 612 L HA -0.167 4.173 4.340 -0.001 0.000 0.392 612 L C -0.667 176.200 176.870 -0.005 0.000 1.042 612 L CA 1.181 56.040 54.840 0.032 0.000 0.788 612 L CB -2.206 39.879 42.059 0.044 0.000 1.235 612 L HN 0.537 nan 8.230 nan 0.000 0.694 613 D N 5.401 125.799 120.400 -0.004 0.000 2.269 613 D HA 0.428 5.068 4.640 -0.001 0.000 0.244 613 D C -2.289 173.994 176.300 -0.027 0.000 0.992 613 D CA -1.824 52.165 54.000 -0.018 0.000 0.894 613 D CB 1.512 42.308 40.800 -0.006 0.000 1.248 613 D HN 0.173 nan 8.370 nan 0.000 0.468 614 P HA 0.060 nan 4.420 nan 0.000 0.259 614 P C 0.707 177.986 177.300 -0.035 0.000 1.163 614 P CA 1.087 64.160 63.100 -0.045 0.000 0.760 614 P CB 0.373 32.045 31.700 -0.046 0.000 0.762 615 G N 2.211 110.986 108.800 -0.041 0.000 2.225 615 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.254 615 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.254 615 G C 0.003 174.884 174.900 -0.033 0.000 0.988 615 G CA -0.249 44.830 45.100 -0.035 0.000 0.625 615 G HN 0.502 nan 8.290 nan 0.000 0.527 616 D N 1.831 122.214 120.400 -0.029 0.000 2.424 616 D HA 0.418 5.058 4.640 -0.001 0.000 0.244 616 D C 0.698 176.973 176.300 -0.041 0.000 1.134 616 D CA 0.384 54.373 54.000 -0.019 0.000 0.881 616 D CB 0.691 41.494 40.800 0.004 0.000 1.191 616 D HN 0.568 nan 8.370 nan 0.000 0.445 617 E N 0.473 120.644 120.200 -0.049 0.000 2.266 617 E HA 0.431 4.780 4.350 -0.001 0.000 0.277 617 E C -0.696 175.850 176.600 -0.090 0.000 1.018 617 E CA -0.807 55.547 56.400 -0.078 0.000 0.840 617 E CB 1.886 31.534 29.700 -0.086 0.000 1.082 617 E HN 0.068 nan 8.360 nan 0.000 0.395 618 V N 4.561 124.409 119.914 -0.110 0.000 2.407 618 V HA 0.275 4.395 4.120 -0.001 0.000 0.291 618 V C -0.013 176.003 176.094 -0.130 0.000 1.018 618 V CA -0.646 61.592 62.300 -0.103 0.000 0.842 618 V CB 1.118 32.862 31.823 -0.131 0.000 0.996 618 V HN 0.612 nan 8.190 nan 0.000 0.426 619 I N 4.876 125.366 120.570 -0.134 0.000 2.588 619 I HA 0.320 4.489 4.170 -0.001 0.000 0.283 619 I C -0.350 175.706 176.117 -0.103 0.000 1.119 619 I CA 0.051 61.277 61.300 -0.124 0.000 1.419 619 I CB 1.262 39.177 38.000 -0.141 0.000 1.394 619 I HN 0.273 nan 8.210 nan 0.000 0.562 620 V N 7.273 127.119 119.914 -0.113 0.000 2.686 620 V HA 0.338 4.457 4.120 -0.001 0.000 0.306 620 V C -0.441 175.630 176.094 -0.038 0.000 1.065 620 V CA -0.632 61.589 62.300 -0.132 0.000 0.894 620 V CB 2.126 33.776 31.823 -0.289 0.000 1.004 620 V HN 0.390 nan 8.190 nan 0.000 0.424 621 L N 4.448 125.702 121.223 0.052 0.000 2.275 621 L HA 0.640 4.980 4.340 -0.001 0.000 0.288 621 L C 0.597 177.632 176.870 0.274 0.000 1.046 621 L CA 0.203 55.124 54.840 0.135 0.000 0.805 621 L CB 1.574 43.697 42.059 0.107 0.000 1.193 621 L HN 0.761 nan 8.230 nan 0.000 0.426 622 S N 2.398 118.270 115.700 0.287 0.000 2.617 622 S HA 0.723 5.192 4.470 -0.001 0.000 0.283 622 S C -2.645 172.020 174.600 0.108 0.000 1.189 622 S CA -1.695 56.663 58.200 0.264 0.000 1.036 622 S CB 1.336 64.675 63.200 0.231 0.000 1.014 622 S HN 0.296 nan 8.310 nan 0.000 0.522 623 P HA 0.246 nan 4.420 nan 0.000 0.268 623 P C -1.121 176.173 177.300 -0.009 0.000 1.205 623 P CA 0.075 63.054 63.100 -0.201 0.000 0.771 623 P CB -0.016 31.432 31.700 -0.421 0.000 0.858 624 Y N 0.016 120.384 120.300 0.113 0.000 2.553 624 Y HA 0.579 5.128 4.550 -0.001 0.000 0.347 624 Y C -1.112 174.996 175.900 0.347 0.000 1.019 624 Y CA -2.108 56.139 58.100 0.244 0.000 1.032 624 Y CB 0.366 38.970 38.460 0.239 0.000 1.284 624 Y HN 0.337 nan 8.280 nan 0.000 0.466 625 W N 4.754 126.298 121.300 0.406 0.000 2.397 625 W HA 0.284 4.944 4.660 -0.001 0.000 0.327 625 W C 0.722 177.209 176.519 -0.053 0.000 1.421 625 W CA -0.413 56.988 57.345 0.093 0.000 1.288 625 W CB 0.501 29.825 29.460 -0.227 0.000 1.312 625 W HN 0.684 nan 8.180 nan 0.000 0.559 626 V N 4.517 123.999 119.914 -0.720 0.000 2.277 626 V HA -0.467 3.653 4.120 -0.001 0.000 0.261 626 V C 2.306 177.926 176.094 -0.790 0.000 1.091 626 V CA 2.804 64.586 62.300 -0.864 0.000 1.090 626 V CB -1.391 29.882 31.823 -0.916 0.000 0.704 626 V HN 0.766 nan 8.190 nan 0.000 0.455 627 S N -2.393 112.452 115.700 -1.425 0.000 2.489 627 S HA -0.034 4.436 4.470 -0.001 0.000 0.228 627 S C 1.555 175.812 174.600 -0.572 0.000 0.995 627 S CA 0.727 58.310 58.200 -1.028 0.000 0.934 627 S CB -0.331 62.172 63.200 -1.161 0.000 0.771 627 S HN 0.698 nan 8.310 nan 0.000 0.522 628 Y N 2.261 122.308 120.300 -0.421 0.000 2.053 628 Y HA -0.161 4.388 4.550 -0.001 0.000 0.277 628 Y C 0.004 175.719 175.900 -0.308 0.000 1.159 628 Y CA 1.326 59.303 58.100 -0.204 0.000 1.125 628 Y CB -1.562 36.847 38.460 -0.087 0.000 0.969 628 Y HN 0.315 nan 8.280 nan 0.000 0.492 629 P HA -0.159 nan 4.420 nan 0.000 0.215 629 P C 1.068 178.271 177.300 -0.161 0.000 1.157 629 P CA 1.591 64.555 63.100 -0.226 0.000 0.863 629 P CB 0.037 31.597 31.700 -0.233 0.000 0.787 630 E N 0.528 120.640 120.200 -0.147 0.000 2.086 630 E HA -0.188 4.161 4.350 -0.001 0.000 0.200 630 E C 2.111 178.690 176.600 -0.035 0.000 1.012 630 E CA 1.722 58.062 56.400 -0.099 0.000 0.812 630 E CB -0.789 28.817 29.700 -0.156 0.000 0.743 630 E HN 0.472 nan 8.360 nan 0.000 0.453 631 M N -1.317 118.250 119.600 -0.055 0.000 2.558 631 M HA 0.073 4.553 4.480 -0.001 0.000 0.255 631 M C 1.932 178.160 176.300 -0.121 0.000 1.113 631 M CA 0.659 55.984 55.300 0.042 0.000 1.097 631 M CB 0.036 32.741 32.600 0.175 0.000 1.426 631 M HN -0.178 nan 8.290 nan 0.000 0.488 632 V N 1.786 121.506 119.914 -0.324 0.000 2.323 632 V HA -0.135 3.985 4.120 -0.001 0.000 0.244 632 V C 2.594 178.545 176.094 -0.238 0.000 1.041 632 V CA 1.780 63.762 62.300 -0.529 0.000 1.025 632 V CB -0.566 30.943 31.823 -0.523 0.000 0.656 632 V HN 0.534 nan 8.190 nan 0.000 0.451 633 R N -1.124 119.294 120.500 -0.137 0.000 2.120 633 R HA -0.152 4.188 4.340 -0.001 0.000 0.234 633 R C 2.194 178.492 176.300 -0.003 0.000 1.123 633 R CA 1.639 57.700 56.100 -0.066 0.000 0.975 633 R CB -0.446 29.829 30.300 -0.041 0.000 0.866 633 R HN 0.498 nan 8.270 nan 0.000 0.446 634 F N 1.224 121.128 119.950 -0.076 0.000 2.171 634 F HA -0.157 4.369 4.527 -0.001 0.000 0.300 634 F C 2.154 177.924 175.800 -0.051 0.000 1.090 634 F CA 1.406 59.394 58.000 -0.020 0.000 1.293 634 F CB -0.116 38.930 39.000 0.077 0.000 1.013 634 F HN -0.033 nan 8.300 nan 0.000 0.486 635 A N -0.680 122.118 122.820 -0.037 0.000 2.119 635 A HA 0.344 4.663 4.320 -0.001 0.000 0.216 635 A C 1.796 179.298 177.584 -0.136 0.000 1.152 635 A CA 0.982 52.944 52.037 -0.125 0.000 0.708 635 A CB -1.027 17.916 19.000 -0.095 0.000 0.805 635 A HN 0.932 nan 8.150 nan 0.000 0.460 636 G N -2.369 106.355 108.800 -0.126 0.000 2.148 636 G HA2 0.102 4.062 3.960 -0.001 0.000 0.157 636 G HA3 0.102 4.062 3.960 -0.001 0.000 0.157 636 G C 0.634 175.480 174.900 -0.090 0.000 1.012 636 G CA 0.113 45.148 45.100 -0.108 0.000 0.677 636 G HN 1.159 nan 8.290 nan 0.000 0.506 637 G N -1.147 107.590 108.800 -0.106 0.000 2.553 637 G HA2 0.629 4.588 3.960 -0.001 0.000 0.278 637 G HA3 0.629 4.588 3.960 -0.001 0.000 0.278 637 G C -0.378 174.460 174.900 -0.104 0.000 1.349 637 G CA 0.087 45.119 45.100 -0.113 0.000 1.037 637 G HN 1.082 nan 8.290 nan 0.000 0.508 638 V N 0.070 119.918 119.914 -0.109 0.000 2.559 638 V HA 0.193 4.313 4.120 -0.001 0.000 0.289 638 V C -0.097 175.929 176.094 -0.113 0.000 1.036 638 V CA -0.631 61.613 62.300 -0.094 0.000 0.887 638 V CB 1.480 33.260 31.823 -0.071 0.000 1.022 638 V HN 0.535 nan 8.190 nan 0.000 0.442 639 V N 5.534 125.373 119.914 -0.125 0.000 2.529 639 V HA 0.248 4.367 4.120 -0.001 0.000 0.292 639 V C 0.146 176.176 176.094 -0.106 0.000 1.028 639 V CA 0.095 62.306 62.300 -0.148 0.000 1.074 639 V CB 1.462 33.179 31.823 -0.177 0.000 0.958 639 V HN 0.580 nan 8.190 nan 0.000 0.481 640 V N 5.891 125.740 119.914 -0.109 0.000 2.409 640 V HA 0.390 4.510 4.120 -0.001 0.000 0.290 640 V C -0.096 175.953 176.094 -0.075 0.000 1.017 640 V CA -0.661 61.593 62.300 -0.077 0.000 0.841 640 V CB 1.719 33.490 31.823 -0.086 0.000 1.003 640 V HN 1.057 nan 8.190 nan 0.000 0.426 641 E N 4.619 124.797 120.200 -0.036 0.000 2.195 641 E HA 0.773 5.123 4.350 -0.001 0.000 0.271 641 E C -1.425 175.195 176.600 0.033 0.000 0.923 641 E CA -0.856 55.542 56.400 -0.004 0.000 0.790 641 E CB 2.374 32.096 29.700 0.037 0.000 1.155 641 E HN 0.293 nan 8.360 nan 0.000 0.402 642 V N 2.520 122.458 119.914 0.041 0.000 2.384 642 V HA 0.222 4.342 4.120 -0.001 0.000 0.287 642 V C 0.110 176.253 176.094 0.081 0.000 1.020 642 V CA -0.835 61.492 62.300 0.046 0.000 0.850 642 V CB 1.150 32.982 31.823 0.016 0.000 0.987 642 V HN 0.843 nan 8.190 nan 0.000 0.436 643 E N 3.060 123.310 120.200 0.083 0.000 2.390 643 E HA 0.398 4.748 4.350 -0.001 0.000 0.261 643 E C -0.305 176.352 176.600 0.094 0.000 1.076 643 E CA -0.252 56.209 56.400 0.102 0.000 0.905 643 E CB 1.044 30.802 29.700 0.098 0.000 0.984 643 E HN 0.859 nan 8.360 nan 0.000 0.427 644 T N 2.412 117.049 114.554 0.139 0.000 2.881 644 T HA 0.363 4.712 4.350 -0.001 0.000 0.291 644 T C -0.437 174.368 174.700 0.176 0.000 0.990 644 T CA -1.084 61.105 62.100 0.148 0.000 0.976 644 T CB 0.646 69.638 68.868 0.207 0.000 0.970 644 T HN 0.187 nan 8.240 nan 0.000 0.438 645 L N 5.629 126.869 121.223 0.029 0.000 2.397 645 L HA 0.345 4.684 4.340 -0.001 0.000 0.271 645 L C -0.932 175.696 176.870 -0.403 0.000 1.148 645 L CA -2.278 52.506 54.840 -0.092 0.000 0.825 645 L CB 0.568 42.582 42.059 -0.075 0.000 1.117 645 L HN 0.500 nan 8.230 nan 0.000 0.456 646 P HA -0.091 nan 4.420 nan 0.000 0.222 646 P C 0.823 177.813 177.300 -0.517 0.000 1.153 646 P CA 0.854 63.233 63.100 -1.202 0.000 0.798 646 P CB 0.543 31.756 31.700 -0.812 0.000 0.796 647 E N 1.079 121.110 120.200 -0.282 0.000 2.153 647 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 647 E C 1.287 177.806 176.600 -0.136 0.000 0.988 647 E CA 1.057 57.366 56.400 -0.152 0.000 0.811 647 E CB -0.442 29.204 29.700 -0.090 0.000 0.746 647 E HN 0.649 nan 8.360 nan 0.000 0.466 648 E N -0.053 120.055 120.200 -0.154 0.000 2.336 648 E HA 0.327 4.676 4.350 -0.001 0.000 0.214 648 E C 0.647 177.181 176.600 -0.110 0.000 1.144 648 E CA 0.197 56.538 56.400 -0.099 0.000 1.294 648 E CB -0.254 29.405 29.700 -0.067 0.000 1.263 648 E HN 0.053 nan 8.360 nan 0.000 0.439 649 G N 1.422 110.116 108.800 -0.178 0.000 2.449 649 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.304 649 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.304 649 G C 0.344 175.257 174.900 0.023 0.000 0.962 649 G CA 0.630 45.651 45.100 -0.133 0.000 0.943 649 G HN 0.629 nan 8.290 nan 0.000 0.514 650 F N -4.171 115.799 119.950 0.032 0.000 3.084 650 F HA -0.286 4.240 4.527 -0.001 0.000 0.286 650 F C 1.258 177.096 175.800 0.064 0.000 0.855 650 F CA 0.877 58.904 58.000 0.046 0.000 1.091 650 F CB -1.954 37.082 39.000 0.059 0.000 1.177 650 F HN 0.815 nan 8.300 nan 0.000 0.542 651 V N -0.648 119.340 119.914 0.123 0.000 2.427 651 V HA 0.707 4.826 4.120 -0.001 0.000 0.286 651 V C -1.664 174.324 176.094 -0.177 0.000 1.034 651 V CA -2.084 60.178 62.300 -0.063 0.000 0.893 651 V CB 1.547 33.371 31.823 0.002 0.000 0.982 651 V HN -0.047 nan 8.190 nan 0.000 0.452 652 P HA 0.141 nan 4.420 nan 0.000 0.268 652 P C -1.080 176.131 177.300 -0.148 0.000 1.208 652 P CA 0.294 63.253 63.100 -0.234 0.000 0.777 652 P CB 0.704 32.216 31.700 -0.313 0.000 0.875 653 D N 2.192 122.542 120.400 -0.083 0.000 2.414 653 D HA 0.283 4.922 4.640 -0.001 0.000 0.232 653 D C -1.840 174.432 176.300 -0.046 0.000 1.070 653 D CA -2.674 51.293 54.000 -0.056 0.000 0.839 653 D CB 0.998 41.777 40.800 -0.035 0.000 1.079 653 D HN -0.024 nan 8.370 nan 0.000 0.521 654 P HA -0.168 nan 4.420 nan 0.000 0.216 654 P C 1.076 178.366 177.300 -0.018 0.000 1.153 654 P CA 0.933 64.017 63.100 -0.027 0.000 0.858 654 P CB 0.365 32.053 31.700 -0.020 0.000 0.789 655 E N -0.235 119.956 120.200 -0.014 0.000 2.070 655 E HA -0.229 4.121 4.350 -0.001 0.000 0.197 655 E C 2.042 178.635 176.600 -0.011 0.000 1.004 655 E CA 1.548 57.944 56.400 -0.008 0.000 0.805 655 E CB -0.628 29.069 29.700 -0.005 0.000 0.744 655 E HN 0.459 nan 8.360 nan 0.000 0.451 656 R N 0.178 120.669 120.500 -0.014 0.000 2.236 656 R HA 0.056 4.395 4.340 -0.001 0.000 0.208 656 R C 2.066 178.353 176.300 -0.021 0.000 1.036 656 R CA 0.744 56.836 56.100 -0.013 0.000 1.001 656 R CB -0.383 29.913 30.300 -0.008 0.000 0.896 656 R HN -0.055 nan 8.270 nan 0.000 0.464 657 V N 1.315 121.213 119.914 -0.026 0.000 2.719 657 V HA -0.097 4.022 4.120 -0.001 0.000 0.252 657 V C 2.647 178.709 176.094 -0.054 0.000 1.065 657 V CA 1.753 64.034 62.300 -0.033 0.000 1.086 657 V CB -0.614 31.196 31.823 -0.023 0.000 0.700 657 V HN 0.402 nan 8.190 nan 0.000 0.467 658 R N 1.714 122.184 120.500 -0.050 0.000 2.070 658 R HA -0.154 4.186 4.340 -0.001 0.000 0.233 658 R C 2.004 178.259 176.300 -0.075 0.000 1.137 658 R CA 1.605 57.656 56.100 -0.081 0.000 0.945 658 R CB -0.212 30.068 30.300 -0.033 0.000 0.845 658 R HN 0.594 nan 8.270 nan 0.000 0.430 659 R N -0.077 120.402 120.500 -0.036 0.000 3.385 659 R HA 0.149 4.489 4.340 -0.001 0.000 0.236 659 R C 0.436 176.716 176.300 -0.034 0.000 1.663 659 R CA 0.601 56.687 56.100 -0.024 0.000 1.444 659 R CB 0.312 30.608 30.300 -0.006 0.000 1.218 659 R HN 0.198 nan 8.270 nan 0.000 0.575 660 A N 0.504 123.287 122.820 -0.060 0.000 2.548 660 A HA 0.306 4.626 4.320 -0.001 0.000 0.236 660 A C 0.409 177.930 177.584 -0.106 0.000 1.246 660 A CA -0.520 51.476 52.037 -0.069 0.000 0.993 660 A CB 0.533 19.492 19.000 -0.069 0.000 1.209 660 A HN 0.268 nan 8.150 nan 0.000 0.570 661 I N 2.313 122.807 120.570 -0.127 0.000 2.529 661 I HA 0.337 4.507 4.170 -0.001 0.000 0.284 661 I C 0.681 176.756 176.117 -0.070 0.000 1.082 661 I CA 0.330 61.532 61.300 -0.163 0.000 1.406 661 I CB 1.455 39.325 38.000 -0.217 0.000 1.405 661 I HN 0.368 nan 8.210 nan 0.000 0.548 662 T N 2.784 117.298 114.554 -0.068 0.000 2.865 662 T HA 0.417 4.766 4.350 -0.001 0.000 0.294 662 T C -2.272 172.425 174.700 -0.004 0.000 1.119 662 T CA -1.649 60.439 62.100 -0.020 0.000 1.007 662 T CB 2.046 70.894 68.868 -0.033 0.000 1.225 662 T HN 0.351 nan 8.240 nan 0.000 0.515 663 P HA 0.075 nan 4.420 nan 0.000 0.239 663 P C 0.866 178.176 177.300 0.018 0.000 1.184 663 P CA 0.385 63.504 63.100 0.032 0.000 0.760 663 P CB 0.181 31.899 31.700 0.030 0.000 0.884 664 R N -0.759 119.737 120.500 -0.007 0.000 2.112 664 R HA 0.090 4.429 4.340 -0.001 0.000 0.216 664 R C 0.697 176.979 176.300 -0.029 0.000 1.080 664 R CA 0.419 56.511 56.100 -0.014 0.000 0.996 664 R CB -0.679 29.605 30.300 -0.028 0.000 0.902 664 R HN 0.030 nan 8.270 nan 0.000 0.449 665 T N 1.812 116.322 114.554 -0.074 0.000 2.704 665 T HA -0.084 4.266 4.350 -0.001 0.000 0.271 665 T C 0.776 175.410 174.700 -0.111 0.000 1.000 665 T CA 0.933 62.933 62.100 -0.166 0.000 1.216 665 T CB 0.394 69.066 68.868 -0.327 0.000 0.961 665 T HN 0.191 nan 8.240 nan 0.000 0.515 666 K N 1.286 121.660 120.400 -0.044 0.000 2.380 666 K HA 0.503 4.822 4.320 -0.001 0.000 0.198 666 K C 0.300 177.059 176.600 0.265 0.000 1.070 666 K CA -0.056 56.312 56.287 0.135 0.000 1.040 666 K CB 0.613 33.199 32.500 0.143 0.000 0.903 666 K HN 0.690 nan 8.250 nan 0.000 0.549 667 A N 0.873 123.767 122.820 0.124 0.000 2.604 667 A HA 0.557 4.876 4.320 -0.001 0.000 0.295 667 A C -2.298 175.351 177.584 0.108 0.000 1.067 667 A CA -0.759 51.441 52.037 0.271 0.000 0.683 667 A CB 1.358 20.540 19.000 0.303 0.000 1.281 667 A HN 0.080 nan 8.150 nan 0.000 0.407 668 L N 1.035 122.410 121.223 0.253 0.000 2.381 668 L HA 0.880 5.220 4.340 -0.001 0.000 0.268 668 L C -1.469 175.491 176.870 0.150 0.000 0.997 668 L CA -0.695 54.242 54.840 0.162 0.000 0.818 668 L CB 2.076 44.341 42.059 0.342 0.000 1.310 668 L HN 0.584 nan 8.230 nan 0.000 0.416 669 V N 5.245 125.195 119.914 0.061 0.000 2.447 669 V HA 0.632 4.752 4.120 -0.001 0.000 0.292 669 V C -0.689 175.408 176.094 0.006 0.000 1.021 669 V CA -0.337 61.964 62.300 0.001 0.000 0.850 669 V CB 1.991 33.737 31.823 -0.129 0.000 1.005 669 V HN 0.746 nan 8.190 nan 0.000 0.426 670 V N 3.928 123.889 119.914 0.077 0.000 2.815 670 V HA 0.737 4.857 4.120 -0.001 0.000 0.314 670 V C -0.650 175.538 176.094 0.158 0.000 1.064 670 V CA -0.497 61.915 62.300 0.187 0.000 0.952 670 V CB 2.073 34.058 31.823 0.270 0.000 1.020 670 V HN 0.950 nan 8.190 nan 0.000 0.439 671 N N 2.662 121.476 118.700 0.189 0.000 2.571 671 N HA 0.426 5.165 4.740 -0.001 0.000 0.286 671 N C -1.621 173.812 175.510 -0.128 0.000 1.138 671 N CA -0.130 52.982 53.050 0.104 0.000 0.859 671 N CB 1.777 40.404 38.487 0.233 0.000 1.414 671 N HN 0.967 nan 8.380 nan 0.000 0.529 672 S N 3.626 119.199 115.700 -0.212 0.000 2.557 672 S HA 0.562 5.031 4.470 -0.001 0.000 0.291 672 S C -2.945 171.599 174.600 -0.094 0.000 1.116 672 S CA -1.206 56.729 58.200 -0.443 0.000 0.992 672 S CB 1.610 64.424 63.200 -0.644 0.000 1.028 672 S HN 0.365 nan 8.310 nan 0.000 0.484 673 P HA 0.165 nan 4.420 nan 0.000 0.275 673 P C -0.202 176.917 177.300 -0.303 0.000 1.276 673 P CA -0.311 62.647 63.100 -0.237 0.000 0.782 673 P CB 0.178 31.751 31.700 -0.212 0.000 0.851 674 N N 3.829 122.338 118.700 -0.319 0.000 2.024 674 N HA -0.195 4.544 4.740 -0.001 0.000 0.282 674 N C 1.132 176.501 175.510 -0.235 0.000 1.234 674 N CA 0.767 53.693 53.050 -0.206 0.000 0.817 674 N CB 0.344 38.776 38.487 -0.092 0.000 1.051 674 N HN 0.352 nan 8.380 nan 0.000 0.478 675 N N 3.371 121.985 118.700 -0.143 0.000 2.054 675 N HA -0.020 4.719 4.740 -0.001 0.000 0.193 675 N C -1.327 173.985 175.510 -0.329 0.000 1.066 675 N CA 1.396 54.298 53.050 -0.246 0.000 0.853 675 N CB -0.846 37.572 38.487 -0.115 0.000 1.048 675 N HN 0.546 nan 8.380 nan 0.000 0.431 676 P HA 0.049 nan 4.420 nan 0.000 0.251 676 P C 1.024 178.120 177.300 -0.340 0.000 1.223 676 P CA 0.940 63.745 63.100 -0.491 0.000 0.796 676 P CB 0.177 31.368 31.700 -0.849 0.000 1.068 677 T N -1.580 112.777 114.554 -0.327 0.000 2.985 677 T HA 0.156 4.505 4.350 -0.001 0.000 0.266 677 T C 1.624 176.284 174.700 -0.067 0.000 1.076 677 T CA 1.786 63.703 62.100 -0.305 0.000 1.135 677 T CB -0.982 67.534 68.868 -0.587 0.000 0.890 677 T HN 0.212 nan 8.240 nan 0.000 0.480 678 G N 0.863 109.625 108.800 -0.062 0.000 2.176 678 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.253 678 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.253 678 G C 0.410 175.303 174.900 -0.010 0.000 0.979 678 G CA 0.228 45.314 45.100 -0.023 0.000 0.641 678 G HN 1.179 nan 8.290 nan 0.000 0.530 679 A N -0.799 122.038 122.820 0.029 0.000 2.448 679 A HA 0.625 4.944 4.320 -0.001 0.000 0.239 679 A C 0.426 177.986 177.584 -0.039 0.000 1.080 679 A CA 0.801 52.893 52.037 0.091 0.000 0.779 679 A CB 1.254 20.410 19.000 0.260 0.000 1.026 679 A HN 1.596 nan 8.150 nan 0.000 0.499 680 V N 3.117 123.041 119.914 0.017 0.000 2.447 680 V HA 0.426 4.545 4.120 -0.001 0.000 0.292 680 V C -1.052 175.104 176.094 0.104 0.000 1.021 680 V CA -0.613 61.652 62.300 -0.058 0.000 0.850 680 V CB 0.635 32.447 31.823 -0.019 0.000 1.005 680 V HN 0.779 nan 8.190 nan 0.000 0.426 681 Y N 6.646 126.988 120.300 0.071 0.000 2.411 681 Y HA 0.309 4.859 4.550 -0.001 0.000 0.333 681 Y C -1.703 174.224 175.900 0.045 0.000 1.186 681 Y CA -2.122 56.014 58.100 0.060 0.000 1.381 681 Y CB 0.409 38.909 38.460 0.067 0.000 1.273 681 Y HN 0.481 nan 8.280 nan 0.000 0.546 682 P HA -0.041 nan 4.420 nan 0.000 0.270 682 P C 0.639 177.937 177.300 -0.004 0.000 1.223 682 P CA -0.281 62.858 63.100 0.065 0.000 0.785 682 P CB 0.820 32.537 31.700 0.029 0.000 0.923 683 K N 2.076 122.405 120.400 -0.119 0.000 2.015 683 K HA -0.264 4.055 4.320 -0.001 0.000 0.216 683 K C 1.079 177.371 176.600 -0.512 0.000 1.052 683 K CA 2.251 58.272 56.287 -0.443 0.000 0.937 683 K CB -0.327 31.897 32.500 -0.460 0.000 0.719 683 K HN 0.416 nan 8.250 nan 0.000 0.446 684 E N 0.299 120.321 120.200 -0.297 0.000 2.515 684 E HA -0.073 4.276 4.350 -0.001 0.000 0.201 684 E C 1.559 178.094 176.600 -0.107 0.000 1.071 684 E CA 0.511 56.788 56.400 -0.205 0.000 0.880 684 E CB -0.030 29.588 29.700 -0.138 0.000 0.828 684 E HN 0.162 nan 8.360 nan 0.000 0.540 685 V N 0.069 119.946 119.914 -0.062 0.000 2.672 685 V HA -0.046 4.074 4.120 -0.001 0.000 0.242 685 V C 1.733 177.850 176.094 0.038 0.000 1.059 685 V CA 0.406 62.696 62.300 -0.018 0.000 1.081 685 V CB -0.137 31.676 31.823 -0.018 0.000 0.752 685 V HN 0.248 nan 8.190 nan 0.000 0.472 686 L N 0.168 121.456 121.223 0.109 0.000 2.083 686 L HA -0.092 4.248 4.340 -0.001 0.000 0.209 686 L C 2.561 179.562 176.870 0.218 0.000 1.083 686 L CA 1.773 56.761 54.840 0.246 0.000 0.752 686 L CB -1.380 40.979 42.059 0.501 0.000 0.899 686 L HN 0.423 nan 8.230 nan 0.000 0.433 687 E N 0.037 120.279 120.200 0.070 0.000 2.017 687 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 687 E C 2.242 178.857 176.600 0.026 0.000 0.997 687 E CA 1.404 57.822 56.400 0.031 0.000 0.804 687 E CB -0.078 29.532 29.700 -0.150 0.000 0.757 687 E HN 0.405 nan 8.360 nan 0.000 0.448 688 A N 1.757 124.574 122.820 -0.004 0.000 1.873 688 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 688 A C 2.403 179.996 177.584 0.015 0.000 1.193 688 A CA 1.623 53.658 52.037 -0.002 0.000 0.629 688 A CB -0.966 18.025 19.000 -0.014 0.000 0.826 688 A HN 0.173 nan 8.150 nan 0.000 0.447 689 L N -1.007 120.236 121.223 0.034 0.000 2.046 689 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 689 L C 3.063 179.956 176.870 0.039 0.000 1.077 689 L CA 1.076 55.947 54.840 0.052 0.000 0.747 689 L CB -0.704 41.401 42.059 0.077 0.000 0.896 689 L HN 0.442 nan 8.230 nan 0.000 0.432 690 A N 0.095 122.939 122.820 0.041 0.000 1.972 690 A HA -0.231 4.089 4.320 -0.001 0.000 0.219 690 A C 2.443 179.968 177.584 -0.097 0.000 1.169 690 A CA 1.653 53.686 52.037 -0.007 0.000 0.635 690 A CB -0.536 18.495 19.000 0.051 0.000 0.810 690 A HN 0.327 nan 8.150 nan 0.000 0.446 691 R N -0.311 120.153 120.500 -0.059 0.000 2.066 691 R HA -0.027 4.312 4.340 -0.001 0.000 0.232 691 R C 1.966 178.203 176.300 -0.105 0.000 1.131 691 R CA 1.389 57.437 56.100 -0.086 0.000 0.955 691 R CB -0.349 29.930 30.300 -0.034 0.000 0.851 691 R HN 0.518 nan 8.270 nan 0.000 0.432 692 L N 0.106 121.303 121.223 -0.043 0.000 2.079 692 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 692 L C 2.631 179.367 176.870 -0.224 0.000 1.081 692 L CA 1.426 56.287 54.840 0.035 0.000 0.752 692 L CB -0.864 41.234 42.059 0.065 0.000 0.896 692 L HN 0.351 nan 8.230 nan 0.000 0.433 693 A N 0.053 122.555 122.820 -0.531 0.000 1.948 693 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 693 A C 2.285 179.310 177.584 -0.932 0.000 1.177 693 A CA 2.097 53.380 52.037 -1.255 0.000 0.636 693 A CB -0.671 17.950 19.000 -0.631 0.000 0.815 693 A HN 0.272 nan 8.150 nan 0.000 0.449 694 V N -0.769 118.700 119.914 -0.742 0.000 2.331 694 V HA -0.175 3.944 4.120 -0.001 0.000 0.242 694 V C 2.356 178.247 176.094 -0.338 0.000 1.034 694 V CA 1.815 63.578 62.300 -0.894 0.000 1.027 694 V CB -0.961 30.466 31.823 -0.660 0.000 0.667 694 V HN 0.676 nan 8.190 nan 0.000 0.457 695 E N 0.237 120.320 120.200 -0.195 0.000 2.021 695 E HA -0.287 4.062 4.350 -0.001 0.000 0.200 695 E C 2.127 178.664 176.600 -0.106 0.000 1.015 695 E CA 2.259 58.602 56.400 -0.096 0.000 0.824 695 E CB -0.128 29.581 29.700 0.014 0.000 0.762 695 E HN 0.777 nan 8.360 nan 0.000 0.454 696 H N -0.267 118.788 119.070 -0.025 0.000 2.551 696 H HA 0.114 4.669 4.556 -0.001 0.000 0.266 696 H C -0.363 175.052 175.328 0.146 0.000 0.977 696 H CA 0.918 57.038 56.048 0.122 0.000 1.163 696 H CB 0.103 30.061 29.762 0.327 0.000 1.381 696 H HN 0.215 nan 8.280 nan 0.000 0.581 697 D N -0.332 120.118 120.400 0.084 0.000 4.353 697 D HA -0.171 4.468 4.640 -0.001 0.000 0.242 697 D C -1.063 175.359 176.300 0.204 0.000 1.063 697 D CA 0.932 54.993 54.000 0.102 0.000 1.224 697 D CB -1.242 39.613 40.800 0.091 0.000 0.831 697 D HN 0.380 nan 8.370 nan 0.000 0.405 698 F N 0.704 120.714 119.950 0.098 0.000 2.765 698 F HA 0.488 5.015 4.527 -0.001 0.000 0.313 698 F C -1.162 174.670 175.800 0.053 0.000 1.136 698 F CA -1.618 56.400 58.000 0.031 0.000 0.952 698 F CB 0.374 39.432 39.000 0.097 0.000 1.268 698 F HN -0.039 nan 8.300 nan 0.000 0.441 699 Y N 2.098 122.585 120.300 0.311 0.000 2.385 699 Y HA 0.460 5.010 4.550 -0.001 0.000 0.346 699 Y C 0.214 176.267 175.900 0.255 0.000 1.270 699 Y CA -0.451 57.761 58.100 0.186 0.000 1.472 699 Y CB 0.510 39.033 38.460 0.105 0.000 1.354 699 Y HN 0.689 nan 8.280 nan 0.000 0.611 700 L N 2.153 123.560 121.223 0.308 0.000 2.376 700 L HA 0.538 4.877 4.340 -0.001 0.000 0.275 700 L C -1.670 175.296 176.870 0.160 0.000 0.987 700 L CA -0.891 54.082 54.840 0.222 0.000 0.828 700 L CB 1.447 43.575 42.059 0.116 0.000 1.249 700 L HN 0.384 nan 8.230 nan 0.000 0.409 701 V N 3.631 123.621 119.914 0.128 0.000 2.334 701 V HA 0.278 4.398 4.120 -0.001 0.000 0.281 701 V C 0.236 176.364 176.094 0.056 0.000 1.016 701 V CA -0.281 62.046 62.300 0.046 0.000 0.832 701 V CB 1.494 33.306 31.823 -0.018 0.000 0.999 701 V HN 0.789 nan 8.190 nan 0.000 0.439 702 S N 3.121 118.853 115.700 0.054 0.000 2.422 702 S HA 0.309 4.778 4.470 -0.001 0.000 0.308 702 S C -0.307 174.349 174.600 0.093 0.000 1.097 702 S CA -0.562 57.683 58.200 0.075 0.000 1.099 702 S CB 0.684 63.920 63.200 0.060 0.000 0.976 702 S HN 0.829 nan 8.310 nan 0.000 0.471 703 D N 4.142 124.616 120.400 0.123 0.000 2.564 703 D HA 0.239 4.879 4.640 -0.001 0.000 0.226 703 D C 1.058 177.440 176.300 0.137 0.000 1.149 703 D CA -0.117 53.980 54.000 0.161 0.000 0.994 703 D CB 0.387 41.359 40.800 0.287 0.000 1.029 703 D HN 0.656 nan 8.370 nan 0.000 0.517 704 E N 2.053 122.326 120.200 0.121 0.000 2.007 704 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 704 E C 1.928 178.522 176.600 -0.009 0.000 0.999 704 E CA 0.807 57.273 56.400 0.111 0.000 0.811 704 E CB 0.084 29.893 29.700 0.182 0.000 0.762 704 E HN 0.549 nan 8.360 nan 0.000 0.450 705 I N -0.382 120.143 120.570 -0.076 0.000 4.373 705 I HA -0.508 3.661 4.170 -0.001 0.000 0.087 705 I C 1.323 177.222 176.117 -0.363 0.000 0.608 705 I CA 2.043 63.207 61.300 -0.227 0.000 0.915 705 I CB -0.548 37.296 38.000 -0.260 0.000 0.816 705 I HN 0.253 nan 8.210 nan 0.000 0.190 706 Y N 2.207 122.329 120.300 -0.295 0.000 2.553 706 Y HA -0.077 4.472 4.550 -0.001 0.000 0.303 706 Y C 2.058 177.711 175.900 -0.411 0.000 1.194 706 Y CA 0.844 58.730 58.100 -0.357 0.000 1.305 706 Y CB -0.454 37.785 38.460 -0.369 0.000 1.045 706 Y HN 0.532 nan 8.280 nan 0.000 0.514 707 E N -0.494 119.439 120.200 -0.446 0.000 2.136 707 E HA -0.332 4.017 4.350 -0.001 0.000 0.202 707 E C 0.982 177.253 176.600 -0.547 0.000 1.019 707 E CA 2.335 58.252 56.400 -0.806 0.000 0.819 707 E CB -0.705 28.285 29.700 -1.183 0.000 0.739 707 E HN 0.625 nan 8.360 nan 0.000 0.458 708 H N 0.200 119.102 119.070 -0.281 0.000 2.547 708 H HA 0.171 4.726 4.556 -0.001 0.000 0.272 708 H C 0.358 175.616 175.328 -0.116 0.000 0.989 708 H CA 0.403 56.347 56.048 -0.173 0.000 1.214 708 H CB 0.143 29.813 29.762 -0.153 0.000 1.389 708 H HN 0.111 nan 8.280 nan 0.000 0.577 709 L N 1.827 123.006 121.223 -0.073 0.000 2.556 709 L HA 0.252 4.592 4.340 -0.001 0.000 0.245 709 L C -1.055 175.555 176.870 -0.433 0.000 1.174 709 L CA -0.560 54.223 54.840 -0.095 0.000 1.117 709 L CB 0.399 42.377 42.059 -0.135 0.000 1.409 709 L HN 0.082 nan 8.230 nan 0.000 0.411 710 L N 0.350 121.364 121.223 -0.349 0.000 2.356 710 L HA 0.390 4.730 4.340 -0.001 0.000 0.277 710 L C -0.129 176.572 176.870 -0.281 0.000 0.996 710 L CA -0.101 54.485 54.840 -0.424 0.000 0.822 710 L CB 1.399 43.358 42.059 -0.167 0.000 1.256 710 L HN 0.213 nan 8.230 nan 0.000 0.413 711 Y N 2.049 122.389 120.300 0.066 0.000 2.396 711 Y HA 0.277 4.827 4.550 -0.001 0.000 0.292 711 Y C 0.430 176.362 175.900 0.053 0.000 1.128 711 Y CA -0.131 58.007 58.100 0.064 0.000 1.194 711 Y CB 0.518 39.016 38.460 0.064 0.000 1.124 711 Y HN 0.520 nan 8.280 nan 0.000 0.543 712 E N 0.742 121.029 120.200 0.145 0.000 2.642 712 E HA 0.560 4.909 4.350 -0.001 0.000 0.284 712 E C -0.461 176.181 176.600 0.069 0.000 1.039 712 E CA -0.337 56.125 56.400 0.103 0.000 0.777 712 E CB 1.272 31.039 29.700 0.111 0.000 1.473 712 E HN 0.350 nan 8.360 nan 0.000 0.388 713 G N 2.139 110.974 108.800 0.060 0.000 2.333 713 G HA2 0.214 4.173 3.960 -0.001 0.000 0.288 713 G HA3 0.214 4.173 3.960 -0.001 0.000 0.288 713 G C -1.702 173.236 174.900 0.063 0.000 1.286 713 G CA -0.837 44.297 45.100 0.057 0.000 0.865 713 G HN 0.252 nan 8.290 nan 0.000 0.506 714 E N -0.284 119.961 120.200 0.074 0.000 2.241 714 E HA 0.356 4.706 4.350 -0.001 0.000 0.263 714 E C -1.382 175.295 176.600 0.128 0.000 0.882 714 E CA -0.825 55.632 56.400 0.094 0.000 0.769 714 E CB 2.213 31.961 29.700 0.081 0.000 1.185 714 E HN 0.589 nan 8.360 nan 0.000 0.415 715 H N 3.232 122.327 119.070 0.042 0.000 2.944 715 H HA 0.174 4.730 4.556 -0.001 0.000 0.278 715 H C -1.401 173.988 175.328 0.102 0.000 1.083 715 H CA -0.189 55.882 56.048 0.038 0.000 1.479 715 H CB -0.014 29.721 29.762 -0.045 0.000 1.486 715 H HN 0.350 nan 8.280 nan 0.000 0.493 716 F N 3.993 123.687 119.950 -0.428 0.000 2.421 716 F HA 0.472 4.999 4.527 -0.001 0.000 0.337 716 F C -0.623 174.928 175.800 -0.415 0.000 1.105 716 F CA -0.550 57.269 58.000 -0.302 0.000 1.049 716 F CB 1.242 40.160 39.000 -0.137 0.000 1.139 716 F HN 0.434 nan 8.300 nan 0.000 0.479 717 S N 6.795 121.827 115.700 -1.113 0.000 2.475 717 S HA 0.358 4.828 4.470 -0.001 0.000 0.298 717 S C -2.211 171.706 174.600 -1.139 0.000 1.119 717 S CA -1.073 56.656 58.200 -0.784 0.000 1.085 717 S CB 1.803 64.776 63.200 -0.379 0.000 1.028 717 S HN 0.514 nan 8.310 nan 0.000 0.489 718 P HA 0.136 nan 4.420 nan 0.000 0.240 718 P C 1.342 178.550 177.300 -0.154 0.000 1.190 718 P CA 0.206 63.171 63.100 -0.225 0.000 0.781 718 P CB -0.011 31.693 31.700 0.008 0.000 0.931 719 G N -0.024 108.670 108.800 -0.176 0.000 2.625 719 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.214 719 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.214 719 G C 1.552 176.392 174.900 -0.100 0.000 1.132 719 G CA 0.169 45.205 45.100 -0.107 0.000 0.782 719 G HN 0.226 nan 8.290 nan 0.000 0.538 720 R N -0.492 119.914 120.500 -0.157 0.000 2.057 720 R HA 0.043 4.382 4.340 -0.001 0.000 0.229 720 R C 2.597 178.889 176.300 -0.013 0.000 1.136 720 R CA 1.047 57.093 56.100 -0.090 0.000 0.952 720 R CB -0.431 29.786 30.300 -0.137 0.000 0.848 720 R HN 0.257 nan 8.270 nan 0.000 0.430 721 V N 0.442 120.369 119.914 0.023 0.000 2.379 721 V HA -0.058 4.062 4.120 -0.001 0.000 0.245 721 V C 1.012 177.109 176.094 0.005 0.000 1.044 721 V CA 1.605 63.943 62.300 0.063 0.000 1.036 721 V CB -0.123 31.796 31.823 0.160 0.000 0.664 721 V HN 0.380 nan 8.190 nan 0.000 0.453 722 A N 0.089 122.900 122.820 -0.015 0.000 3.159 722 A HA 0.509 4.828 4.320 -0.001 0.000 0.330 722 A C -1.349 176.246 177.584 0.017 0.000 1.032 722 A CA -0.794 51.223 52.037 -0.034 0.000 0.841 722 A CB 0.360 19.290 19.000 -0.117 0.000 1.093 722 A HN 0.296 nan 8.150 nan 0.000 0.478 723 P HA -0.213 nan 4.420 nan 0.000 0.222 723 P C 0.731 178.045 177.300 0.023 0.000 1.147 723 P CA 1.413 64.516 63.100 0.004 0.000 0.790 723 P CB 0.182 31.876 31.700 -0.010 0.000 0.780 724 E N -1.648 118.594 120.200 0.070 0.000 2.465 724 E HA -0.036 4.314 4.350 -0.001 0.000 0.191 724 E C 0.754 177.295 176.600 -0.098 0.000 1.053 724 E CA 0.099 56.506 56.400 0.010 0.000 0.869 724 E CB -0.305 29.390 29.700 -0.009 0.000 0.977 724 E HN 0.335 nan 8.360 nan 0.000 0.483 725 H N -0.353 118.668 119.070 -0.082 0.000 2.573 725 H HA 0.203 4.758 4.556 -0.001 0.000 0.236 725 H C 0.190 175.534 175.328 0.026 0.000 0.907 725 H CA 0.520 56.500 56.048 -0.114 0.000 1.058 725 H CB 0.607 30.254 29.762 -0.191 0.000 1.417 725 H HN -0.063 nan 8.280 nan 0.000 0.425 726 T N 1.730 116.364 114.554 0.133 0.000 2.926 726 T HA 0.315 4.664 4.350 -0.001 0.000 0.307 726 T C -0.254 174.479 174.700 0.054 0.000 1.059 726 T CA 0.172 62.322 62.100 0.082 0.000 1.122 726 T CB 0.247 69.126 68.868 0.018 0.000 0.972 726 T HN 0.083 nan 8.240 nan 0.000 0.545 727 L N 3.213 124.453 121.223 0.027 0.000 2.457 727 L HA 0.307 4.647 4.340 -0.001 0.000 0.266 727 L C -0.168 176.679 176.870 -0.038 0.000 0.979 727 L CA -0.627 54.193 54.840 -0.033 0.000 0.857 727 L CB 1.642 43.661 42.059 -0.066 0.000 1.213 727 L HN 0.667 nan 8.230 nan 0.000 0.418 728 T N 2.079 116.589 114.554 -0.074 0.000 2.727 728 T HA 0.376 4.726 4.350 -0.001 0.000 0.298 728 T C 0.035 174.766 174.700 0.051 0.000 0.942 728 T CA -0.443 61.645 62.100 -0.020 0.000 0.997 728 T CB 1.116 69.951 68.868 -0.056 0.000 0.917 728 T HN 0.102 nan 8.240 nan 0.000 0.487 729 V N 5.081 125.051 119.914 0.094 0.000 2.394 729 V HA 0.509 4.629 4.120 -0.001 0.000 0.282 729 V C 0.271 176.444 176.094 0.133 0.000 1.031 729 V CA -0.732 61.638 62.300 0.117 0.000 0.881 729 V CB 1.150 33.018 31.823 0.075 0.000 0.982 729 V HN 0.822 nan 8.190 nan 0.000 0.451 730 N N 2.095 120.878 118.700 0.139 0.000 2.902 730 N HA 0.789 5.528 4.740 -0.001 0.000 0.268 730 N C -0.625 174.651 175.510 -0.390 0.000 1.450 730 N CA 0.055 53.107 53.050 0.002 0.000 0.819 730 N CB 2.856 41.457 38.487 0.190 0.000 1.540 730 N HN 0.828 nan 8.380 nan 0.000 0.545 731 G N -1.410 107.040 108.800 -0.584 0.000 2.646 731 G HA2 0.542 4.501 3.960 -0.001 0.000 0.291 731 G HA3 0.542 4.501 3.960 -0.001 0.000 0.291 731 G C -0.021 174.543 174.900 -0.560 0.000 1.445 731 G CA 0.175 44.719 45.100 -0.927 0.000 0.814 731 G HN 0.584 nan 8.290 nan 0.000 0.495 732 A N 0.105 122.694 122.820 -0.386 0.000 1.929 732 A HA 0.379 4.699 4.320 -0.001 0.000 0.216 732 A C 2.789 180.307 177.584 -0.110 0.000 1.176 732 A CA 2.411 54.411 52.037 -0.062 0.000 0.628 732 A CB -0.979 18.113 19.000 0.154 0.000 0.816 732 A HN 2.064 nan 8.150 nan 0.000 0.444 733 A N 0.772 123.531 122.820 -0.101 0.000 1.883 733 A HA -0.343 3.977 4.320 -0.001 0.000 0.226 733 A C 2.089 179.648 177.584 -0.041 0.000 1.512 733 A CA 2.509 54.520 52.037 -0.043 0.000 0.738 733 A CB -0.712 18.250 19.000 -0.063 0.000 0.848 733 A HN 0.448 nan 8.150 nan 0.000 0.477 734 K N -0.570 119.720 120.400 -0.182 0.000 2.057 734 K HA -0.028 4.292 4.320 -0.001 0.000 0.207 734 K C 2.340 178.889 176.600 -0.086 0.000 1.049 734 K CA 1.352 57.527 56.287 -0.187 0.000 0.931 734 K CB -0.798 31.342 32.500 -0.601 0.000 0.714 734 K HN 0.545 nan 8.250 nan 0.000 0.440 735 A N 1.223 123.908 122.820 -0.226 0.000 1.841 735 A HA -0.040 4.279 4.320 -0.001 0.000 0.214 735 A C 1.756 179.372 177.584 0.053 0.000 1.195 735 A CA 0.991 52.892 52.037 -0.227 0.000 0.611 735 A CB -0.786 17.838 19.000 -0.627 0.000 0.835 735 A HN 0.284 nan 8.150 nan 0.000 0.443 736 F N -0.469 119.560 119.950 0.131 0.000 2.693 736 F HA 0.408 4.935 4.527 -0.001 0.000 0.303 736 F C 1.515 177.340 175.800 0.041 0.000 1.143 736 F CA 0.236 58.265 58.000 0.048 0.000 1.389 736 F CB -0.105 38.805 39.000 -0.151 0.000 1.060 736 F HN 0.373 nan 8.300 nan 0.000 0.535 737 A N 0.340 123.401 122.820 0.402 0.000 2.798 737 A HA -0.301 4.019 4.320 -0.001 0.000 0.282 737 A C 1.029 178.779 177.584 0.277 0.000 1.464 737 A CA 1.149 53.412 52.037 0.377 0.000 0.844 737 A CB -2.234 17.076 19.000 0.516 0.000 1.006 737 A HN 0.569 nan 8.150 nan 0.000 0.577 738 M N 0.304 120.038 119.600 0.223 0.000 2.626 738 M HA 0.021 4.501 4.480 -0.001 0.000 0.262 738 M C 1.975 178.458 176.300 0.305 0.000 1.256 738 M CA 0.764 56.227 55.300 0.272 0.000 0.981 738 M CB -0.378 32.230 32.600 0.014 0.000 1.492 738 M HN 0.789 nan 8.290 nan 0.000 0.474 739 T N -1.438 113.251 114.554 0.225 0.000 2.597 739 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 739 T C 1.906 176.706 174.700 0.167 0.000 1.053 739 T CA 2.045 64.240 62.100 0.157 0.000 1.165 739 T CB -1.008 67.936 68.868 0.127 0.000 0.863 739 T HN 0.547 nan 8.240 nan 0.000 0.427 740 G N -0.393 108.500 108.800 0.156 0.000 2.479 740 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.220 740 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.220 740 G C 1.198 176.144 174.900 0.076 0.000 1.115 740 G CA 0.533 45.672 45.100 0.064 0.000 0.757 740 G HN 0.699 nan 8.290 nan 0.000 0.560 741 W N -0.345 120.968 121.300 0.022 0.000 2.465 741 W HA 0.191 4.850 4.660 -0.001 0.000 0.268 741 W C 0.708 177.239 176.519 0.020 0.000 1.242 741 W CA 0.227 57.585 57.345 0.022 0.000 1.248 741 W CB 0.286 29.761 29.460 0.026 0.000 1.118 741 W HN -0.045 nan 8.180 nan 0.000 0.587 742 R N 0.006 120.643 120.500 0.229 0.000 2.983 742 R HA -0.156 4.183 4.340 -0.001 0.000 0.272 742 R C -1.100 175.271 176.300 0.117 0.000 0.926 742 R CA 0.515 56.693 56.100 0.131 0.000 0.667 742 R CB -2.727 27.629 30.300 0.093 0.000 1.540 742 R HN 0.280 nan 8.270 nan 0.000 0.467 743 I N -0.203 120.414 120.570 0.079 0.000 2.649 743 I HA 0.590 4.759 4.170 -0.001 0.000 0.289 743 I C 0.631 176.691 176.117 -0.094 0.000 1.222 743 I CA -0.482 60.843 61.300 0.041 0.000 1.046 743 I CB 2.589 40.643 38.000 0.090 0.000 1.272 743 I HN 0.436 nan 8.210 nan 0.000 0.425 744 G N 4.783 113.505 108.800 -0.130 0.000 2.694 744 G HA2 0.824 4.784 3.960 -0.001 0.000 0.290 744 G HA3 0.824 4.784 3.960 -0.001 0.000 0.290 744 G C -2.060 172.703 174.900 -0.228 0.000 1.386 744 G CA -0.432 44.445 45.100 -0.371 0.000 0.872 744 G HN 0.516 nan 8.290 nan 0.000 0.475 745 Y N -2.576 117.768 120.300 0.073 0.000 2.638 745 Y HA 0.881 5.431 4.550 -0.001 0.000 0.335 745 Y C -0.103 175.907 175.900 0.182 0.000 1.155 745 Y CA -1.529 56.642 58.100 0.119 0.000 1.046 745 Y CB 1.198 39.737 38.460 0.132 0.000 1.303 745 Y HN 1.167 nan 8.280 nan 0.000 0.460 746 A N 0.129 123.173 122.820 0.374 0.000 2.602 746 A HA 0.922 5.241 4.320 -0.001 0.000 0.290 746 A C -1.199 176.358 177.584 -0.045 0.000 1.114 746 A CA -0.320 51.830 52.037 0.189 0.000 0.683 746 A CB 1.024 20.063 19.000 0.065 0.000 1.281 746 A HN 1.878 nan 8.150 nan 0.000 0.416 747 C N -1.434 117.685 119.300 -0.300 0.000 3.239 747 C HA 1.067 5.527 4.460 -0.001 0.000 0.317 747 C C 0.294 175.117 174.990 -0.277 0.000 1.310 747 C CA 0.242 59.017 59.018 -0.404 0.000 1.371 747 C CB 1.082 28.290 27.740 -0.886 0.000 1.714 747 C HN 2.802 nan 8.230 nan 0.000 0.473 748 G N 0.799 109.485 108.800 -0.190 0.000 2.404 748 G HA2 0.530 4.490 3.960 -0.001 0.000 0.253 748 G HA3 0.530 4.490 3.960 -0.001 0.000 0.253 748 G C -3.533 171.328 174.900 -0.065 0.000 1.253 748 G CA -0.646 44.387 45.100 -0.111 0.000 0.917 748 G HN 0.596 nan 8.290 nan 0.000 0.480 749 P HA 0.149 nan 4.420 nan 0.000 0.258 749 P C 0.777 178.066 177.300 -0.017 0.000 1.187 749 P CA 0.241 63.337 63.100 -0.006 0.000 0.767 749 P CB 0.835 32.563 31.700 0.046 0.000 0.770 750 K N 3.690 124.076 120.400 -0.023 0.000 2.242 750 K HA -0.272 4.047 4.320 -0.001 0.000 0.206 750 K C 1.457 178.047 176.600 -0.016 0.000 1.045 750 K CA 2.094 58.367 56.287 -0.022 0.000 0.930 750 K CB 0.182 32.671 32.500 -0.019 0.000 0.726 750 K HN 0.583 nan 8.250 nan 0.000 0.462 751 E N -0.225 119.970 120.200 -0.008 0.000 2.028 751 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 751 E C 1.892 178.483 176.600 -0.015 0.000 0.984 751 E CA 1.203 57.600 56.400 -0.004 0.000 0.800 751 E CB -0.520 29.186 29.700 0.010 0.000 0.758 751 E HN 0.127 nan 8.360 nan 0.000 0.448 752 V N 0.926 120.827 119.914 -0.022 0.000 3.141 752 V HA 0.009 4.129 4.120 -0.001 0.000 0.265 752 V C 1.679 177.729 176.094 -0.073 0.000 1.126 752 V CA 0.885 63.141 62.300 -0.072 0.000 1.141 752 V CB -0.347 31.384 31.823 -0.153 0.000 0.743 752 V HN 0.338 nan 8.190 nan 0.000 0.492 753 I N 0.631 121.171 120.570 -0.050 0.000 3.564 753 I HA 0.015 4.184 4.170 -0.001 0.000 0.294 753 I C 2.075 178.177 176.117 -0.026 0.000 1.289 753 I CA 1.169 62.444 61.300 -0.043 0.000 1.325 753 I CB -0.085 37.889 38.000 -0.043 0.000 1.039 753 I HN 0.487 nan 8.210 nan 0.000 0.474 754 K N -0.185 120.201 120.400 -0.024 0.000 2.477 754 K HA 0.337 4.657 4.320 -0.001 0.000 0.208 754 K C 1.392 177.984 176.600 -0.015 0.000 1.117 754 K CA 0.426 56.704 56.287 -0.015 0.000 1.039 754 K CB 0.414 32.907 32.500 -0.012 0.000 0.937 754 K HN -0.016 nan 8.250 nan 0.000 0.570 755 A N 1.736 124.542 122.820 -0.024 0.000 1.861 755 A HA 0.103 4.422 4.320 -0.001 0.000 0.212 755 A C 2.171 179.742 177.584 -0.021 0.000 1.199 755 A CA 0.841 52.863 52.037 -0.025 0.000 0.613 755 A CB -0.438 18.536 19.000 -0.042 0.000 0.846 755 A HN 0.256 nan 8.150 nan 0.000 0.446 756 M N -0.117 119.464 119.600 -0.031 0.000 2.088 756 M HA -0.261 4.218 4.480 -0.001 0.000 0.256 756 M C 2.496 178.802 176.300 0.009 0.000 1.071 756 M CA 1.841 57.131 55.300 -0.016 0.000 1.097 756 M CB -0.481 32.103 32.600 -0.026 0.000 1.315 756 M HN 0.496 nan 8.290 nan 0.000 0.406 757 A N -1.184 121.639 122.820 0.005 0.000 1.978 757 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 757 A C 2.228 179.821 177.584 0.014 0.000 1.170 757 A CA 2.191 54.235 52.037 0.012 0.000 0.636 757 A CB -0.787 18.216 19.000 0.005 0.000 0.810 757 A HN 0.483 nan 8.150 nan 0.000 0.448 758 S N -1.103 114.601 115.700 0.008 0.000 2.428 758 S HA -0.044 4.426 4.470 -0.001 0.000 0.230 758 S C 1.776 176.388 174.600 0.021 0.000 1.014 758 S CA 1.195 59.401 58.200 0.009 0.000 0.957 758 S CB -0.287 62.914 63.200 0.002 0.000 0.784 758 S HN 0.309 nan 8.310 nan 0.000 0.499 759 V N 0.392 120.325 119.914 0.032 0.000 2.346 759 V HA -0.042 4.078 4.120 -0.001 0.000 0.244 759 V C 2.527 178.664 176.094 0.073 0.000 1.037 759 V CA 1.740 64.075 62.300 0.058 0.000 1.029 759 V CB -0.845 31.020 31.823 0.070 0.000 0.663 759 V HN 0.511 nan 8.190 nan 0.000 0.454 760 S N 0.721 116.460 115.700 0.066 0.000 2.374 760 S HA -0.279 4.190 4.470 -0.001 0.000 0.227 760 S C 2.142 176.769 174.600 0.045 0.000 1.037 760 S CA 2.251 60.490 58.200 0.065 0.000 1.024 760 S CB -0.289 62.944 63.200 0.054 0.000 0.861 760 S HN 0.733 nan 8.310 nan 0.000 0.456 761 R N 0.338 120.854 120.500 0.027 0.000 2.193 761 R HA 0.010 4.350 4.340 -0.001 0.000 0.229 761 R C 1.742 178.046 176.300 0.006 0.000 1.110 761 R CA 1.300 57.403 56.100 0.004 0.000 0.988 761 R CB -0.332 29.962 30.300 -0.010 0.000 0.871 761 R HN 0.508 nan 8.270 nan 0.000 0.458 762 Q N 0.516 120.333 119.800 0.027 0.000 2.217 762 Q HA 0.148 4.488 4.340 -0.001 0.000 0.217 762 Q C 1.042 177.074 176.000 0.053 0.000 0.844 762 Q CA 0.570 56.392 55.803 0.032 0.000 0.957 762 Q CB 1.455 30.213 28.738 0.033 0.000 1.127 762 Q HN 0.471 nan 8.270 nan 0.000 0.503 763 S N -0.073 115.667 115.700 0.066 0.000 2.591 763 S HA -0.026 4.444 4.470 -0.001 0.000 0.235 763 S C 1.943 176.574 174.600 0.051 0.000 1.074 763 S CA 0.840 59.086 58.200 0.077 0.000 0.925 763 S CB -0.067 63.208 63.200 0.124 0.000 0.818 763 S HN 0.280 nan 8.310 nan 0.000 0.535 764 T N -3.342 111.243 114.554 0.052 0.000 2.975 764 T HA 0.310 4.660 4.350 -0.001 0.000 0.261 764 T C 0.962 175.698 174.700 0.060 0.000 0.984 764 T CA 0.940 63.071 62.100 0.051 0.000 0.911 764 T CB 0.102 68.999 68.868 0.050 0.000 1.127 764 T HN 0.287 nan 8.240 nan 0.000 0.514 765 T N 0.953 115.531 114.554 0.041 0.000 11.087 765 T HA -0.217 4.133 4.350 -0.001 0.000 0.385 765 T C 0.198 174.916 174.700 0.031 0.000 1.679 765 T CA 2.518 64.627 62.100 0.014 0.000 2.690 765 T CB -1.907 66.967 68.868 0.011 0.000 2.619 765 T HN 1.928 nan 8.240 nan 0.000 0.900 766 S N -0.488 115.253 115.700 0.068 0.000 2.816 766 S HA 0.436 4.905 4.470 -0.001 0.000 0.282 766 S C -3.586 171.068 174.600 0.090 0.000 0.867 766 S CA -1.038 57.206 58.200 0.074 0.000 0.886 766 S CB 0.590 63.840 63.200 0.084 0.000 1.115 766 S HN 0.113 nan 8.310 nan 0.000 0.485 767 P HA 0.274 nan 4.420 nan 0.000 0.271 767 P C -0.672 176.685 177.300 0.095 0.000 1.233 767 P CA 0.004 63.153 63.100 0.081 0.000 0.789 767 P CB 0.216 31.960 31.700 0.074 0.000 0.951 768 D N 0.346 120.806 120.400 0.101 0.000 2.455 768 D HA -0.056 4.583 4.640 -0.001 0.000 0.265 768 D C 0.679 177.058 176.300 0.131 0.000 1.284 768 D CA 0.758 54.825 54.000 0.112 0.000 0.944 768 D CB -0.070 40.800 40.800 0.116 0.000 1.121 768 D HN 0.207 nan 8.370 nan 0.000 0.525 769 T N 4.736 119.370 114.554 0.134 0.000 2.620 769 T HA -0.220 4.130 4.350 -0.001 0.000 0.267 769 T C 1.889 176.750 174.700 0.269 0.000 1.044 769 T CA 1.076 63.280 62.100 0.173 0.000 1.161 769 T CB -0.124 68.866 68.868 0.203 0.000 0.862 769 T HN 0.493 nan 8.240 nan 0.000 0.438 770 I N 1.881 122.607 120.570 0.260 0.000 2.151 770 I HA -0.186 3.983 4.170 -0.001 0.000 0.243 770 I C 2.920 179.235 176.117 0.331 0.000 1.080 770 I CA 1.507 62.987 61.300 0.300 0.000 1.339 770 I CB -1.740 36.395 38.000 0.224 0.000 1.039 770 I HN 0.243 nan 8.210 nan 0.000 0.409 771 A N -0.026 122.985 122.820 0.320 0.000 2.121 771 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 771 A C 2.224 179.880 177.584 0.121 0.000 1.154 771 A CA 0.953 53.179 52.037 0.316 0.000 0.679 771 A CB -0.394 18.856 19.000 0.417 0.000 0.795 771 A HN 0.552 nan 8.150 nan 0.000 0.458 772 Q N -1.320 118.537 119.800 0.096 0.000 1.994 772 Q HA -0.183 4.156 4.340 -0.001 0.000 0.198 772 Q C 1.926 177.895 176.000 -0.051 0.000 0.976 772 Q CA 1.530 57.311 55.803 -0.037 0.000 0.828 772 Q CB -0.322 28.320 28.738 -0.160 0.000 0.894 772 Q HN 0.900 nan 8.270 nan 0.000 0.432 773 W N 0.916 122.214 121.300 -0.002 0.000 2.364 773 W HA -0.155 4.505 4.660 -0.000 0.000 0.281 773 W C 2.387 178.855 176.519 -0.086 0.000 1.219 773 W CA 0.849 58.176 57.345 -0.030 0.000 1.220 773 W CB -0.158 29.298 29.460 -0.007 0.000 1.127 773 W HN 0.227 nan 8.180 nan 0.000 0.556 774 A N -0.417 122.459 122.820 0.093 0.000 1.929 774 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 774 A C 1.894 179.310 177.584 -0.281 0.000 1.176 774 A CA 2.001 53.941 52.037 -0.163 0.000 0.628 774 A CB -1.027 17.735 19.000 -0.398 0.000 0.816 774 A HN 0.205 nan 8.150 nan 0.000 0.444 775 T N 0.184 114.620 114.554 -0.198 0.000 2.812 775 T HA -0.035 4.314 4.350 -0.001 0.000 0.264 775 T C 1.857 176.476 174.700 -0.135 0.000 1.042 775 T CA 1.008 63.008 62.100 -0.167 0.000 1.140 775 T CB -0.396 68.453 68.868 -0.032 0.000 0.870 775 T HN 0.346 nan 8.240 nan 0.000 0.445 776 L N 1.025 122.194 121.223 -0.090 0.000 2.034 776 L HA -0.278 4.061 4.340 -0.001 0.000 0.217 776 L C 2.711 179.536 176.870 -0.075 0.000 1.077 776 L CA 2.109 56.904 54.840 -0.074 0.000 0.769 776 L CB -0.306 41.740 42.059 -0.021 0.000 0.890 776 L HN 0.307 nan 8.230 nan 0.000 0.435 777 E N -0.184 119.969 120.200 -0.078 0.000 2.077 777 E HA -0.223 4.127 4.350 -0.001 0.000 0.193 777 E C 1.947 178.446 176.600 -0.169 0.000 0.989 777 E CA 1.542 57.886 56.400 -0.092 0.000 0.800 777 E CB -0.148 29.497 29.700 -0.091 0.000 0.746 777 E HN 0.537 nan 8.360 nan 0.000 0.452 778 A N 0.414 123.029 122.820 -0.343 0.000 1.930 778 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 778 A C 2.230 179.591 177.584 -0.372 0.000 1.175 778 A CA 1.207 52.892 52.037 -0.588 0.000 0.627 778 A CB -0.543 17.785 19.000 -1.121 0.000 0.815 778 A HN 0.353 nan 8.150 nan 0.000 0.443 779 L N -0.356 120.752 121.223 -0.192 0.000 2.109 779 L HA -0.101 4.239 4.340 -0.001 0.000 0.207 779 L C 2.842 179.671 176.870 -0.067 0.000 1.086 779 L CA 1.782 56.574 54.840 -0.081 0.000 0.760 779 L CB -0.632 41.367 42.059 -0.099 0.000 0.910 779 L HN 0.656 nan 8.230 nan 0.000 0.437 780 T N -4.566 109.947 114.554 -0.068 0.000 3.044 780 T HA -0.034 4.316 4.350 -0.001 0.000 0.255 780 T C 1.175 175.854 174.700 -0.035 0.000 1.073 780 T CA -0.027 62.049 62.100 -0.041 0.000 1.125 780 T CB -0.214 68.638 68.868 -0.025 0.000 0.908 780 T HN 0.039 nan 8.240 nan 0.000 0.480 781 N N 1.819 120.495 118.700 -0.041 0.000 2.968 781 N HA 0.164 4.904 4.740 -0.001 0.000 0.271 781 N C 0.785 176.260 175.510 -0.058 0.000 1.174 781 N CA -0.023 53.004 53.050 -0.040 0.000 1.096 781 N CB 0.678 39.161 38.487 -0.007 0.000 1.403 781 N HN 0.437 nan 8.380 nan 0.000 0.522 782 Q N 1.124 120.898 119.800 -0.044 0.000 1.900 782 Q HA -0.216 4.124 4.340 -0.001 0.000 0.219 782 Q C 1.470 177.439 176.000 -0.052 0.000 1.012 782 Q CA 1.910 57.693 55.803 -0.034 0.000 0.876 782 Q CB -0.196 28.531 28.738 -0.018 0.000 0.952 782 Q HN 0.550 nan 8.270 nan 0.000 0.419 783 E N -0.151 120.015 120.200 -0.056 0.000 2.245 783 E HA -0.351 3.999 4.350 -0.001 0.000 0.217 783 E C 1.644 178.180 176.600 -0.107 0.000 1.069 783 E CA 1.832 58.192 56.400 -0.068 0.000 0.877 783 E CB -0.195 29.466 29.700 -0.066 0.000 0.757 783 E HN 0.403 nan 8.360 nan 0.000 0.464 784 A N 0.138 122.843 122.820 -0.193 0.000 1.854 784 A HA -0.072 4.247 4.320 -0.001 0.000 0.214 784 A C 2.501 179.948 177.584 -0.227 0.000 1.192 784 A CA 1.701 53.521 52.037 -0.363 0.000 0.611 784 A CB -0.602 17.899 19.000 -0.831 0.000 0.832 784 A HN 0.316 nan 8.150 nan 0.000 0.442 785 S N -0.193 115.440 115.700 -0.111 0.000 2.368 785 S HA -0.160 4.309 4.470 -0.001 0.000 0.225 785 S C 2.004 176.662 174.600 0.097 0.000 1.030 785 S CA 1.497 59.722 58.200 0.042 0.000 0.999 785 S CB -0.340 62.821 63.200 -0.066 0.000 0.844 785 S HN 0.548 nan 8.310 nan 0.000 0.459 786 R N 1.242 121.759 120.500 0.029 0.000 2.139 786 R HA -0.079 4.261 4.340 -0.001 0.000 0.243 786 R C 2.318 178.633 176.300 0.025 0.000 1.145 786 R CA 1.389 57.502 56.100 0.021 0.000 0.976 786 R CB -0.411 29.890 30.300 0.001 0.000 0.866 786 R HN 0.451 nan 8.270 nan 0.000 0.449 787 A N -0.370 122.465 122.820 0.026 0.000 1.935 787 A HA -0.067 4.253 4.320 -0.001 0.000 0.214 787 A C 1.867 179.476 177.584 0.041 0.000 1.178 787 A CA 0.461 52.508 52.037 0.017 0.000 0.640 787 A CB -0.446 18.551 19.000 -0.005 0.000 0.825 787 A HN 0.344 nan 8.150 nan 0.000 0.447 788 F N 1.042 120.969 119.950 -0.037 0.000 2.102 788 F HA -0.162 4.365 4.527 -0.001 0.000 0.298 788 F C 2.179 177.941 175.800 -0.063 0.000 1.105 788 F CA 2.005 59.980 58.000 -0.041 0.000 1.239 788 F CB -0.312 38.712 39.000 0.040 0.000 0.991 788 F HN 0.029 nan 8.300 nan 0.000 0.474 789 V N 0.725 120.699 119.914 0.100 0.000 2.255 789 V HA -0.298 3.822 4.120 -0.001 0.000 0.247 789 V C 2.469 178.502 176.094 -0.102 0.000 1.051 789 V CA 2.190 64.485 62.300 -0.009 0.000 1.018 789 V CB -0.833 30.994 31.823 0.006 0.000 0.641 789 V HN 0.274 nan 8.190 nan 0.000 0.445 790 E N -0.309 119.854 120.200 -0.062 0.000 2.114 790 E HA -0.315 4.035 4.350 -0.001 0.000 0.199 790 E C 2.045 178.565 176.600 -0.134 0.000 1.008 790 E CA 2.084 58.448 56.400 -0.060 0.000 0.810 790 E CB -0.512 29.166 29.700 -0.037 0.000 0.739 790 E HN 0.664 nan 8.360 nan 0.000 0.456 791 M N 0.218 119.674 119.600 -0.241 0.000 2.077 791 M HA -0.121 4.359 4.480 -0.001 0.000 0.261 791 M C 2.232 178.219 176.300 -0.521 0.000 1.070 791 M CA 1.917 57.009 55.300 -0.345 0.000 1.125 791 M CB -0.095 32.257 32.600 -0.413 0.000 1.339 791 M HN 0.077 nan 8.290 nan 0.000 0.409 792 A N 1.272 123.624 122.820 -0.781 0.000 1.865 792 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 792 A C 2.102 179.404 177.584 -0.471 0.000 1.191 792 A CA 1.696 53.135 52.037 -0.996 0.000 0.623 792 A CB -0.795 17.694 19.000 -0.852 0.000 0.826 792 A HN 0.554 nan 8.150 nan 0.000 0.444 793 R N -0.291 120.179 120.500 -0.051 0.000 2.196 793 R HA -0.181 4.158 4.340 -0.001 0.000 0.227 793 R C 1.902 178.300 176.300 0.163 0.000 1.108 793 R CA 1.760 58.008 56.100 0.248 0.000 0.884 793 R CB -1.069 29.335 30.300 0.174 0.000 0.839 793 R HN 0.596 nan 8.270 nan 0.000 0.431 794 E N 0.507 120.727 120.200 0.033 0.000 2.171 794 E HA -0.186 4.163 4.350 -0.001 0.000 0.197 794 E C 1.914 178.478 176.600 -0.060 0.000 0.997 794 E CA 1.265 57.656 56.400 -0.016 0.000 0.810 794 E CB -0.354 29.329 29.700 -0.029 0.000 0.738 794 E HN 0.416 nan 8.360 nan 0.000 0.467 795 A N 0.942 123.694 122.820 -0.114 0.000 1.834 795 A HA -0.204 4.116 4.320 -0.001 0.000 0.216 795 A C 2.098 179.671 177.584 -0.018 0.000 1.203 795 A CA 1.591 53.573 52.037 -0.092 0.000 0.621 795 A CB -1.305 17.609 19.000 -0.143 0.000 0.841 795 A HN 0.319 nan 8.150 nan 0.000 0.446 796 Y N -0.444 119.929 120.300 0.123 0.000 2.298 796 Y HA -0.242 4.307 4.550 -0.001 0.000 0.287 796 Y C 2.577 178.352 175.900 -0.209 0.000 1.164 796 Y CA 1.535 59.723 58.100 0.147 0.000 1.229 796 Y CB -0.282 38.413 38.460 0.393 0.000 0.977 796 Y HN 0.307 nan 8.280 nan 0.000 0.538 797 R N 1.174 121.520 120.500 -0.257 0.000 2.081 797 R HA -0.206 4.133 4.340 -0.001 0.000 0.235 797 R C 2.479 178.579 176.300 -0.334 0.000 1.131 797 R CA 1.718 57.477 56.100 -0.567 0.000 0.960 797 R CB -0.224 29.860 30.300 -0.360 0.000 0.856 797 R HN 0.349 nan 8.270 nan 0.000 0.436 798 R N 0.354 120.746 120.500 -0.181 0.000 2.075 798 R HA -0.081 4.258 4.340 -0.001 0.000 0.232 798 R C 2.112 178.329 176.300 -0.137 0.000 1.126 798 R CA 1.385 57.408 56.100 -0.129 0.000 0.963 798 R CB -0.106 30.149 30.300 -0.075 0.000 0.858 798 R HN 0.204 nan 8.270 nan 0.000 0.435 799 R N 0.000 120.431 120.500 -0.116 0.000 2.092 799 R HA -0.036 4.304 4.340 -0.001 0.000 0.231 799 R C 2.479 178.607 176.300 -0.286 0.000 1.119 799 R CA 0.913 56.958 56.100 -0.092 0.000 0.970 799 R CB -0.419 29.922 30.300 0.068 0.000 0.864 799 R HN 0.120 nan 8.270 nan 0.000 0.440 800 R N 1.481 121.649 120.500 -0.553 0.000 2.105 800 R HA -0.152 4.188 4.340 -0.001 0.000 0.239 800 R C 0.875 176.920 176.300 -0.426 0.000 1.135 800 R CA 1.799 57.356 56.100 -0.905 0.000 0.967 800 R CB -0.295 29.485 30.300 -0.866 0.000 0.861 800 R HN 0.239 nan 8.270 nan 0.000 0.442 801 D N 0.276 120.513 120.400 -0.271 0.000 2.249 801 D HA -0.106 4.533 4.640 -0.001 0.000 0.205 801 D C 1.855 178.093 176.300 -0.102 0.000 0.962 801 D CA 0.085 53.994 54.000 -0.152 0.000 0.860 801 D CB -0.087 40.644 40.800 -0.115 0.000 0.955 801 D HN 0.092 nan 8.370 nan 0.000 0.505 802 L N 1.286 122.446 121.223 -0.105 0.000 1.961 802 L HA -0.099 4.240 4.340 -0.001 0.000 0.210 802 L C 2.334 179.175 176.870 -0.047 0.000 1.072 802 L CA 1.285 56.087 54.840 -0.064 0.000 0.749 802 L CB -1.186 40.837 42.059 -0.060 0.000 0.889 802 L HN 0.083 nan 8.230 nan 0.000 0.432 803 L N -0.623 120.567 121.223 -0.055 0.000 1.991 803 L HA -0.342 3.997 4.340 -0.001 0.000 0.221 803 L C 2.718 179.598 176.870 0.017 0.000 1.079 803 L CA 1.815 56.652 54.840 -0.005 0.000 0.778 803 L CB -0.378 41.689 42.059 0.012 0.000 0.893 803 L HN 0.336 nan 8.230 nan 0.000 0.437 804 L N -0.596 120.615 121.223 -0.019 0.000 2.079 804 L HA -0.274 4.066 4.340 -0.001 0.000 0.210 804 L C 2.504 179.385 176.870 0.018 0.000 1.081 804 L CA 1.630 56.475 54.840 0.009 0.000 0.752 804 L CB -0.451 41.599 42.059 -0.016 0.000 0.896 804 L HN 0.394 nan 8.230 nan 0.000 0.433 805 E N 0.354 120.554 120.200 -0.000 0.000 2.015 805 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 805 E C 2.091 178.704 176.600 0.021 0.000 0.991 805 E CA 1.503 57.906 56.400 0.006 0.000 0.802 805 E CB -0.454 29.242 29.700 -0.007 0.000 0.759 805 E HN 0.304 nan 8.360 nan 0.000 0.447 806 G N 0.659 109.471 108.800 0.021 0.000 2.450 806 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.220 806 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.220 806 G C 1.627 176.570 174.900 0.072 0.000 1.130 806 G CA 0.881 46.002 45.100 0.036 0.000 0.760 806 G HN 0.280 nan 8.290 nan 0.000 0.557 807 L N -0.378 120.899 121.223 0.090 0.000 2.044 807 L HA -0.033 4.306 4.340 -0.001 0.000 0.205 807 L C 3.134 180.054 176.870 0.083 0.000 1.075 807 L CA 1.516 56.430 54.840 0.125 0.000 0.747 807 L CB -0.429 41.713 42.059 0.138 0.000 0.903 807 L HN 0.229 nan 8.230 nan 0.000 0.435 808 T N -0.736 113.855 114.554 0.061 0.000 2.759 808 T HA -0.180 4.170 4.350 -0.001 0.000 0.269 808 T C 1.751 176.474 174.700 0.039 0.000 1.042 808 T CA 1.370 63.497 62.100 0.045 0.000 1.140 808 T CB 0.003 68.893 68.868 0.035 0.000 0.864 808 T HN 0.469 nan 8.240 nan 0.000 0.455 809 A N 1.029 123.872 122.820 0.038 0.000 1.855 809 A HA 0.088 4.407 4.320 -0.001 0.000 0.215 809 A C 2.244 179.852 177.584 0.039 0.000 1.191 809 A CA 1.128 53.184 52.037 0.033 0.000 0.613 809 A CB -0.924 18.094 19.000 0.029 0.000 0.829 809 A HN 0.531 nan 8.150 nan 0.000 0.442 810 L N -1.443 119.813 121.223 0.055 0.000 2.263 810 L HA -0.150 4.190 4.340 -0.001 0.000 0.216 810 L C 2.029 178.926 176.870 0.044 0.000 1.111 810 L CA 1.114 55.991 54.840 0.061 0.000 0.773 810 L CB -0.435 41.686 42.059 0.103 0.000 0.906 810 L HN 0.729 nan 8.230 nan 0.000 0.439 811 G N -0.914 107.909 108.800 0.038 0.000 2.259 811 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.217 811 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.217 811 G C 0.197 175.109 174.900 0.019 0.000 1.001 811 G CA -0.213 44.901 45.100 0.024 0.000 0.627 811 G HN 0.154 nan 8.290 nan 0.000 0.501 812 L N 1.399 122.636 121.223 0.023 0.000 2.485 812 L HA 0.416 4.755 4.340 -0.001 0.000 0.275 812 L C 0.775 177.662 176.870 0.029 0.000 1.207 812 L CA 0.366 55.212 54.840 0.009 0.000 0.855 812 L CB 0.458 42.516 42.059 -0.002 0.000 1.114 812 L HN 0.123 nan 8.230 nan 0.000 0.485 813 K N 2.333 122.747 120.400 0.023 0.000 2.159 813 K HA 0.830 5.150 4.320 -0.001 0.000 0.266 813 K C -0.654 176.000 176.600 0.089 0.000 0.975 813 K CA -0.482 55.834 56.287 0.049 0.000 0.865 813 K CB 1.807 34.329 32.500 0.038 0.000 1.087 813 K HN 0.689 nan 8.250 nan 0.000 0.446 814 A N 1.215 124.101 122.820 0.109 0.000 2.606 814 A HA 0.482 4.802 4.320 -0.001 0.000 0.293 814 A C -1.074 176.598 177.584 0.147 0.000 1.082 814 A CA -0.924 51.204 52.037 0.151 0.000 0.685 814 A CB 1.204 20.293 19.000 0.147 0.000 1.284 814 A HN 0.448 nan 8.150 nan 0.000 0.408 815 V N -0.096 119.933 119.914 0.191 0.000 2.353 815 V HA 0.500 4.619 4.120 -0.001 0.000 0.264 815 V C 0.585 176.781 176.094 0.170 0.000 1.049 815 V CA -0.553 61.861 62.300 0.189 0.000 0.896 815 V CB 0.263 32.272 31.823 0.310 0.000 1.025 815 V HN 0.872 nan 8.190 nan 0.000 0.475 816 R N 6.952 127.529 120.500 0.128 0.000 2.936 816 R HA 0.086 4.426 4.340 -0.001 0.000 0.361 816 R C -1.766 174.620 176.300 0.144 0.000 0.873 816 R CA -0.790 55.379 56.100 0.115 0.000 1.041 816 R CB 0.079 30.429 30.300 0.083 0.000 0.924 816 R HN 0.709 nan 8.270 nan 0.000 0.401 817 P HA 0.005 nan 4.420 nan 0.000 0.269 817 P C -0.562 176.869 177.300 0.217 0.000 1.215 817 P CA -0.041 63.178 63.100 0.199 0.000 0.780 817 P CB 1.560 33.425 31.700 0.276 0.000 0.898 818 S N -0.055 115.737 115.700 0.154 0.000 2.524 818 S HA 0.325 4.795 4.470 -0.001 0.000 0.222 818 S C 0.820 175.375 174.600 -0.075 0.000 1.040 818 S CA 0.347 58.626 58.200 0.132 0.000 0.915 818 S CB 0.434 63.680 63.200 0.077 0.000 0.831 818 S HN 0.818 nan 8.310 nan 0.000 0.492 819 G N 0.042 108.749 108.800 -0.154 0.000 2.725 819 G HA2 0.708 4.667 3.960 -0.001 0.000 0.288 819 G HA3 0.708 4.667 3.960 -0.001 0.000 0.288 819 G C -0.554 174.168 174.900 -0.298 0.000 1.399 819 G CA -0.065 44.777 45.100 -0.429 0.000 0.859 819 G HN 0.774 nan 8.290 nan 0.000 0.479 820 A N -1.252 121.330 122.820 -0.397 0.000 6.647 820 A HA 0.216 4.536 4.320 -0.001 0.000 0.236 820 A C 0.008 177.347 177.584 -0.408 0.000 2.220 820 A CA 1.126 52.840 52.037 -0.538 0.000 0.695 820 A CB -1.361 17.158 19.000 -0.801 0.000 0.942 820 A HN 2.320 nan 8.150 nan 0.000 0.371 821 F N -2.566 116.961 119.950 -0.706 0.000 2.739 821 F HA 0.731 5.258 4.527 -0.001 0.000 0.345 821 F C -0.437 174.473 175.800 -1.483 0.000 1.373 821 F CA -1.187 56.160 58.000 -1.088 0.000 1.160 821 F CB -0.866 37.509 39.000 -1.042 0.000 1.137 821 F HN 0.493 nan 8.300 nan 0.000 0.524 822 Y N -1.078 119.098 120.300 -0.208 0.000 2.602 822 Y HA 0.817 5.367 4.550 -0.001 0.000 0.342 822 Y C -0.600 175.351 175.900 0.085 0.000 1.029 822 Y CA -1.839 56.193 58.100 -0.114 0.000 1.080 822 Y CB 2.602 40.965 38.460 -0.162 0.000 1.284 822 Y HN -0.118 nan 8.280 nan 0.000 0.485 823 V N 2.666 122.732 119.914 0.254 0.000 2.752 823 V HA 0.236 4.356 4.120 -0.001 0.000 0.302 823 V C -0.967 175.197 176.094 0.116 0.000 1.133 823 V CA -0.831 61.604 62.300 0.226 0.000 0.919 823 V CB 2.107 34.109 31.823 0.299 0.000 1.026 823 V HN 0.586 nan 8.190 nan 0.000 0.429 824 L N 5.319 126.577 121.223 0.057 0.000 2.302 824 L HA 0.479 4.818 4.340 -0.001 0.000 0.285 824 L C 0.211 177.199 176.870 0.196 0.000 1.090 824 L CA 0.057 54.905 54.840 0.013 0.000 0.866 824 L CB 0.918 42.857 42.059 -0.199 0.000 1.244 824 L HN 0.691 nan 8.230 nan 0.000 0.435 825 M N 2.701 122.404 119.600 0.172 0.000 2.233 825 M HA 0.114 4.593 4.480 -0.001 0.000 0.350 825 M C -0.202 176.175 176.300 0.128 0.000 1.176 825 M CA -0.158 55.233 55.300 0.152 0.000 1.150 825 M CB 0.919 33.559 32.600 0.067 0.000 1.530 825 M HN 0.294 nan 8.290 nan 0.000 0.459 826 D N 2.610 123.023 120.400 0.021 0.000 2.422 826 D HA 0.095 4.734 4.640 -0.001 0.000 0.227 826 D C 0.981 177.181 176.300 -0.167 0.000 1.190 826 D CA -0.003 53.865 54.000 -0.219 0.000 0.905 826 D CB 0.808 41.505 40.800 -0.171 0.000 1.034 826 D HN 0.707 nan 8.370 nan 0.000 0.507 827 T N -0.020 114.431 114.554 -0.171 0.000 3.155 827 T HA -0.101 4.248 4.350 -0.001 0.000 0.264 827 T C 1.911 176.548 174.700 -0.105 0.000 1.160 827 T CA 0.515 62.540 62.100 -0.125 0.000 1.075 827 T CB -0.108 68.707 68.868 -0.088 0.000 0.921 827 T HN 0.157 nan 8.240 nan 0.000 0.533 828 S N 2.743 118.372 115.700 -0.118 0.000 2.393 828 S HA -0.094 4.375 4.470 -0.001 0.000 0.234 828 S C -0.032 174.534 174.600 -0.056 0.000 1.064 828 S CA 1.940 60.091 58.200 -0.081 0.000 1.088 828 S CB -0.784 62.368 63.200 -0.080 0.000 0.939 828 S HN 0.692 nan 8.310 nan 0.000 0.448 829 P HA 0.282 nan 4.420 nan 0.000 0.261 829 P C 1.069 178.341 177.300 -0.046 0.000 1.268 829 P CA 0.315 63.389 63.100 -0.042 0.000 0.833 829 P CB 0.081 31.760 31.700 -0.036 0.000 1.231 830 I N -0.907 119.624 120.570 -0.064 0.000 3.603 830 I HA 0.301 4.471 4.170 -0.001 0.000 0.297 830 I C 0.454 176.542 176.117 -0.047 0.000 1.269 830 I CA 0.180 61.439 61.300 -0.068 0.000 1.361 830 I CB 0.280 38.211 38.000 -0.115 0.000 1.063 830 I HN -0.084 nan 8.210 nan 0.000 0.448 831 A N -0.313 122.482 122.820 -0.041 0.000 2.489 831 A HA 0.384 4.704 4.320 -0.001 0.000 0.293 831 A C -2.457 175.111 177.584 -0.025 0.000 1.004 831 A CA -0.656 51.365 52.037 -0.027 0.000 0.626 831 A CB -0.198 18.789 19.000 -0.022 0.000 1.345 831 A HN -0.108 nan 8.150 nan 0.000 0.447 832 P HA 0.131 nan 4.420 nan 0.000 0.240 832 P C -0.218 177.076 177.300 -0.010 0.000 1.190 832 P CA 1.474 64.566 63.100 -0.014 0.000 0.781 832 P CB 0.118 31.812 31.700 -0.011 0.000 0.931 833 D N -1.288 119.109 120.400 -0.005 0.000 2.652 833 D HA 0.027 4.667 4.640 -0.001 0.000 0.285 833 D C 0.297 176.608 176.300 0.018 0.000 1.173 833 D CA -0.490 53.516 54.000 0.010 0.000 0.981 833 D CB 0.760 41.565 40.800 0.008 0.000 1.440 833 D HN -0.143 nan 8.370 nan 0.000 0.485 834 E N 0.089 120.320 120.200 0.051 0.000 2.479 834 E HA 0.056 4.406 4.350 -0.001 0.000 0.193 834 E C 0.685 177.319 176.600 0.057 0.000 1.049 834 E CA 0.233 56.668 56.400 0.058 0.000 0.870 834 E CB 0.040 29.804 29.700 0.106 0.000 0.944 834 E HN 0.264 nan 8.360 nan 0.000 0.492 835 V N 0.428 120.371 119.914 0.048 0.000 3.212 835 V HA 0.134 4.254 4.120 -0.001 0.000 0.244 835 V C 2.336 178.447 176.094 0.027 0.000 1.151 835 V CA 0.527 62.853 62.300 0.044 0.000 1.119 835 V CB -0.201 31.649 31.823 0.045 0.000 0.838 835 V HN 0.099 nan 8.190 nan 0.000 0.470 836 R N 1.061 121.571 120.500 0.017 0.000 2.093 836 R HA 0.079 4.418 4.340 -0.001 0.000 0.224 836 R C 2.469 178.773 176.300 0.006 0.000 1.101 836 R CA 1.257 57.363 56.100 0.010 0.000 0.979 836 R CB -0.509 29.794 30.300 0.005 0.000 0.877 836 R HN 0.477 nan 8.270 nan 0.000 0.441 837 A N 1.686 124.506 122.820 0.001 0.000 1.908 837 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 837 A C 2.401 179.980 177.584 -0.009 0.000 1.181 837 A CA 1.843 53.871 52.037 -0.015 0.000 0.627 837 A CB -0.659 18.326 19.000 -0.026 0.000 0.818 837 A HN 0.393 nan 8.150 nan 0.000 0.445 838 A N -0.225 122.602 122.820 0.010 0.000 1.902 838 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 838 A C 1.930 179.531 177.584 0.029 0.000 1.181 838 A CA 1.717 53.769 52.037 0.025 0.000 0.623 838 A CB -0.505 18.520 19.000 0.041 0.000 0.818 838 A HN 0.671 nan 8.150 nan 0.000 0.443 839 E N -0.806 119.409 120.200 0.024 0.000 2.072 839 E HA -0.191 4.158 4.350 -0.001 0.000 0.190 839 E C 2.181 178.796 176.600 0.024 0.000 0.982 839 E CA 1.185 57.600 56.400 0.025 0.000 0.803 839 E CB -0.184 29.528 29.700 0.021 0.000 0.755 839 E HN 0.620 nan 8.360 nan 0.000 0.453 840 R N 1.523 122.032 120.500 0.016 0.000 2.159 840 R HA -0.121 4.218 4.340 -0.001 0.000 0.237 840 R C 1.747 178.063 176.300 0.026 0.000 1.131 840 R CA 1.302 57.410 56.100 0.014 0.000 0.982 840 R CB -0.478 29.822 30.300 0.000 0.000 0.868 840 R HN 0.192 nan 8.270 nan 0.000 0.453 841 L N -0.475 120.766 121.223 0.029 0.000 2.249 841 L HA 0.100 4.439 4.340 -0.001 0.000 0.207 841 L C 2.243 179.166 176.870 0.088 0.000 1.090 841 L CA 0.392 55.270 54.840 0.064 0.000 0.802 841 L CB -0.225 41.864 42.059 0.050 0.000 0.947 841 L HN 0.238 nan 8.230 nan 0.000 0.453 842 L N -0.186 121.075 121.223 0.064 0.000 2.275 842 L HA -0.150 4.189 4.340 -0.001 0.000 0.215 842 L C 2.383 179.285 176.870 0.052 0.000 1.119 842 L CA 1.015 55.891 54.840 0.060 0.000 0.790 842 L CB -0.094 41.993 42.059 0.047 0.000 0.919 842 L HN 0.369 nan 8.230 nan 0.000 0.443 843 E N 0.263 120.492 120.200 0.047 0.000 2.051 843 E HA -0.177 4.172 4.350 -0.001 0.000 0.192 843 E C 1.597 178.225 176.600 0.047 0.000 0.991 843 E CA 1.207 57.631 56.400 0.040 0.000 0.799 843 E CB -0.084 29.637 29.700 0.034 0.000 0.748 843 E HN 0.465 nan 8.360 nan 0.000 0.449 844 A N 0.930 123.789 122.820 0.066 0.000 2.346 844 A HA 0.299 4.619 4.320 -0.001 0.000 0.242 844 A C 1.117 178.745 177.584 0.073 0.000 1.323 844 A CA 0.564 52.646 52.037 0.076 0.000 0.940 844 A CB -0.842 18.227 19.000 0.114 0.000 0.943 844 A HN 0.258 nan 8.150 nan 0.000 0.501 845 G N -0.999 107.835 108.800 0.058 0.000 2.386 845 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.295 845 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.295 845 G C -0.146 174.787 174.900 0.056 0.000 0.979 845 G CA 0.630 45.758 45.100 0.046 0.000 1.193 845 G HN 1.536 nan 8.290 nan 0.000 0.508 846 V N 0.174 120.140 119.914 0.087 0.000 2.663 846 V HA 0.706 4.825 4.120 -0.001 0.000 0.286 846 V C 0.178 176.348 176.094 0.127 0.000 1.085 846 V CA -0.042 62.325 62.300 0.111 0.000 0.916 846 V CB 1.320 33.248 31.823 0.176 0.000 1.039 846 V HN 1.709 nan 8.190 nan 0.000 0.453 847 A N 6.780 129.657 122.820 0.094 0.000 2.347 847 A HA 0.755 5.075 4.320 -0.001 0.000 0.287 847 A C -0.068 177.580 177.584 0.108 0.000 1.199 847 A CA 0.207 52.297 52.037 0.089 0.000 0.851 847 A CB 0.703 19.742 19.000 0.065 0.000 1.118 847 A HN 1.766 nan 8.150 nan 0.000 0.525 848 V N 0.789 120.769 119.914 0.110 0.000 3.103 848 V HA 0.853 4.973 4.120 -0.001 0.000 0.318 848 V C -0.313 175.839 176.094 0.097 0.000 1.114 848 V CA -0.865 61.503 62.300 0.113 0.000 1.020 848 V CB 1.700 33.590 31.823 0.112 0.000 1.085 848 V HN 0.534 nan 8.190 nan 0.000 0.446 849 V N 1.794 121.766 119.914 0.097 0.000 2.378 849 V HA 0.454 4.574 4.120 -0.001 0.000 0.288 849 V C -2.495 173.671 176.094 0.121 0.000 1.016 849 V CA -1.822 60.553 62.300 0.125 0.000 0.840 849 V CB 1.303 33.230 31.823 0.173 0.000 0.994 849 V HN 0.869 nan 8.190 nan 0.000 0.431 850 P HA 0.095 nan 4.420 nan 0.000 0.265 850 P C 1.111 178.532 177.300 0.201 0.000 1.193 850 P CA 0.228 63.407 63.100 0.133 0.000 0.765 850 P CB 0.765 32.538 31.700 0.122 0.000 0.823 851 G N 2.266 111.142 108.800 0.126 0.000 2.708 851 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.210 851 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.210 851 G C 1.206 176.195 174.900 0.150 0.000 1.141 851 G CA 0.491 45.652 45.100 0.103 0.000 0.788 851 G HN 0.388 nan 8.290 nan 0.000 0.531 852 T N 1.237 115.909 114.554 0.196 0.000 2.624 852 T HA -0.173 4.177 4.350 -0.001 0.000 0.268 852 T C 1.743 176.494 174.700 0.085 0.000 1.041 852 T CA 1.750 63.990 62.100 0.234 0.000 1.159 852 T CB -0.244 68.764 68.868 0.234 0.000 0.863 852 T HN 0.240 nan 8.240 nan 0.000 0.434 853 D N 0.011 120.393 120.400 -0.030 0.000 2.363 853 D HA 0.096 4.735 4.640 -0.001 0.000 0.226 853 D C 0.952 176.947 176.300 -0.508 0.000 1.020 853 D CA 0.317 54.172 54.000 -0.242 0.000 0.892 853 D CB -0.207 40.383 40.800 -0.351 0.000 0.900 853 D HN 0.443 nan 8.370 nan 0.000 0.531 854 F N -0.114 119.568 119.950 -0.447 0.000 2.695 854 F HA 0.383 4.910 4.527 -0.001 0.000 0.303 854 F C 1.384 176.572 175.800 -1.020 0.000 1.091 854 F CA -0.031 57.531 58.000 -0.730 0.000 1.300 854 F CB 0.098 38.821 39.000 -0.462 0.000 1.071 854 F HN -0.137 nan 8.300 nan 0.000 0.578 855 A N 0.719 123.084 122.820 -0.758 0.000 2.930 855 A HA 0.001 4.321 4.320 -0.001 0.000 0.273 855 A C 0.591 177.580 177.584 -0.993 0.000 1.435 855 A CA 0.588 51.986 52.037 -1.065 0.000 0.780 855 A CB -1.996 16.676 19.000 -0.547 0.000 1.034 855 A HN 0.723 nan 8.150 nan 0.000 0.562 856 A N 0.034 122.381 122.820 -0.789 0.000 2.938 856 A HA 0.675 4.995 4.320 -0.001 0.000 0.344 856 A C -0.202 177.241 177.584 -0.234 0.000 1.142 856 A CA -0.434 51.355 52.037 -0.413 0.000 0.841 856 A CB -0.108 18.687 19.000 -0.341 0.000 1.083 856 A HN 0.847 nan 8.150 nan 0.000 0.479 857 F N 0.560 120.586 119.950 0.126 0.000 2.399 857 F HA 0.486 5.012 4.527 -0.001 0.000 0.342 857 F C 1.545 177.451 175.800 0.177 0.000 1.106 857 F CA 0.636 58.708 58.000 0.121 0.000 1.196 857 F CB 1.246 40.295 39.000 0.082 0.000 1.163 857 F HN 0.701 nan 8.300 nan 0.000 0.547 858 G N 1.418 110.380 108.800 0.270 0.000 2.198 858 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.257 858 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.257 858 G C -0.670 174.152 174.900 -0.130 0.000 1.042 858 G CA -0.132 45.009 45.100 0.069 0.000 0.791 858 G HN 0.895 nan 8.290 nan 0.000 0.502 859 H N -2.547 116.552 119.070 0.048 0.000 3.017 859 H HA 0.747 5.303 4.556 -0.001 0.000 0.346 859 H C -0.872 174.444 175.328 -0.021 0.000 1.286 859 H CA -0.216 55.835 56.048 0.005 0.000 1.120 859 H CB 2.550 32.304 29.762 -0.014 0.000 1.860 859 H HN 0.573 nan 8.280 nan 0.000 0.542 860 V N 1.340 121.312 119.914 0.096 0.000 2.851 860 V HA 0.378 4.498 4.120 -0.001 0.000 0.307 860 V C -1.067 175.025 176.094 -0.003 0.000 1.129 860 V CA -0.738 61.578 62.300 0.026 0.000 0.932 860 V CB 1.881 33.713 31.823 0.014 0.000 1.024 860 V HN 0.747 nan 8.190 nan 0.000 0.426 861 R N 6.309 126.769 120.500 -0.067 0.000 2.248 861 R HA 0.488 4.828 4.340 -0.001 0.000 0.337 861 R C -0.839 175.493 176.300 0.054 0.000 1.106 861 R CA -0.341 55.713 56.100 -0.077 0.000 0.959 861 R CB 0.175 30.299 30.300 -0.294 0.000 1.075 861 R HN 0.718 nan 8.270 nan 0.000 0.480 862 L N 1.902 123.198 121.223 0.121 0.000 2.439 862 L HA 0.304 4.644 4.340 -0.001 0.000 0.261 862 L C 0.485 177.458 176.870 0.172 0.000 1.153 862 L CA -0.420 54.529 54.840 0.182 0.000 0.808 862 L CB 1.584 43.794 42.059 0.251 0.000 1.126 862 L HN 0.500 nan 8.230 nan 0.000 0.460 863 S N -0.005 115.767 115.700 0.120 0.000 2.620 863 S HA 0.265 4.735 4.470 -0.001 0.000 0.244 863 S C 0.144 174.671 174.600 -0.121 0.000 1.192 863 S CA -0.752 57.429 58.200 -0.031 0.000 1.148 863 S CB 0.217 63.448 63.200 0.051 0.000 1.106 863 S HN 0.501 nan 8.310 nan 0.000 0.474 864 Y N 2.274 122.587 120.300 0.020 0.000 2.665 864 Y HA 0.348 4.898 4.550 -0.001 0.000 0.320 864 Y C 1.522 177.394 175.900 -0.047 0.000 1.204 864 Y CA 0.261 58.359 58.100 -0.002 0.000 1.315 864 Y CB -0.865 37.619 38.460 0.040 0.000 1.033 864 Y HN 0.642 nan 8.280 nan 0.000 0.509 865 A N 0.475 123.069 122.820 -0.376 0.000 2.255 865 A HA 0.060 4.380 4.320 -0.001 0.000 0.206 865 A C 1.534 178.988 177.584 -0.218 0.000 1.193 865 A CA 0.753 52.496 52.037 -0.489 0.000 0.794 865 A CB -1.025 17.058 19.000 -1.529 0.000 0.794 865 A HN 0.585 nan 8.150 nan 0.000 0.481 866 T N -3.823 110.655 114.554 -0.127 0.000 2.898 866 T HA 0.501 4.851 4.350 -0.001 0.000 0.283 866 T C 0.552 175.195 174.700 -0.096 0.000 1.059 866 T CA -0.050 61.982 62.100 -0.113 0.000 0.958 866 T CB 0.337 69.156 68.868 -0.081 0.000 1.594 866 T HN 0.029 nan 8.240 nan 0.000 0.598 867 S N 0.418 116.055 115.700 -0.106 0.000 2.580 867 S HA 0.121 4.591 4.470 -0.001 0.000 0.266 867 S C 1.118 175.682 174.600 -0.060 0.000 1.354 867 S CA -0.383 57.755 58.200 -0.103 0.000 1.008 867 S CB 0.430 63.570 63.200 -0.100 0.000 0.898 867 S HN 0.781 nan 8.310 nan 0.000 0.555 868 E N 0.730 120.894 120.200 -0.060 0.000 2.358 868 E HA -0.035 4.315 4.350 -0.001 0.000 0.195 868 E C 1.087 177.660 176.600 -0.045 0.000 1.010 868 E CA 0.483 56.858 56.400 -0.041 0.000 0.856 868 E CB 0.176 29.852 29.700 -0.039 0.000 0.795 868 E HN 0.494 nan 8.360 nan 0.000 0.504 869 E N -0.118 120.051 120.200 -0.052 0.000 2.496 869 E HA 0.125 4.474 4.350 -0.001 0.000 0.200 869 E C 0.155 176.721 176.600 -0.057 0.000 1.016 869 E CA -0.049 56.321 56.400 -0.051 0.000 0.962 869 E CB 0.043 29.715 29.700 -0.046 0.000 1.071 869 E HN 0.305 nan 8.360 nan 0.000 0.457 870 N N -1.019 117.645 118.700 -0.061 0.000 2.474 870 N HA 0.109 4.848 4.740 -0.001 0.000 0.224 870 N C 1.643 177.101 175.510 -0.088 0.000 1.092 870 N CA -0.063 52.947 53.050 -0.068 0.000 0.844 870 N CB 0.543 38.995 38.487 -0.058 0.000 1.381 870 N HN 0.019 nan 8.380 nan 0.000 0.458 871 L N 1.360 122.542 121.223 -0.069 0.000 2.056 871 L HA -0.032 4.307 4.340 -0.001 0.000 0.207 871 L C 2.340 179.144 176.870 -0.111 0.000 1.078 871 L CA 1.153 55.946 54.840 -0.079 0.000 0.749 871 L CB -0.261 41.781 42.059 -0.028 0.000 0.901 871 L HN 0.095 nan 8.230 nan 0.000 0.433 872 R N 0.062 120.513 120.500 -0.082 0.000 2.080 872 R HA -0.221 4.119 4.340 -0.001 0.000 0.236 872 R C 2.367 178.608 176.300 -0.097 0.000 1.137 872 R CA 1.727 57.781 56.100 -0.077 0.000 0.943 872 R CB -0.318 29.950 30.300 -0.055 0.000 0.846 872 R HN 0.268 nan 8.270 nan 0.000 0.431 873 K N 0.346 120.687 120.400 -0.099 0.000 2.007 873 K HA -0.061 4.258 4.320 -0.001 0.000 0.206 873 K C 2.147 178.648 176.600 -0.165 0.000 1.047 873 K CA 1.183 57.409 56.287 -0.101 0.000 0.937 873 K CB -0.104 32.351 32.500 -0.075 0.000 0.718 873 K HN 0.154 nan 8.250 nan 0.000 0.438 874 A N 1.709 124.391 122.820 -0.231 0.000 1.948 874 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 874 A C 2.056 179.182 177.584 -0.764 0.000 1.177 874 A CA 1.181 52.959 52.037 -0.432 0.000 0.636 874 A CB -0.603 18.142 19.000 -0.425 0.000 0.815 874 A HN 0.386 nan 8.150 nan 0.000 0.449 875 L N -0.528 120.386 121.223 -0.516 0.000 2.156 875 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 875 L C 2.372 179.146 176.870 -0.161 0.000 1.095 875 L CA 2.232 56.842 54.840 -0.384 0.000 0.770 875 L CB -0.665 41.294 42.059 -0.167 0.000 0.914 875 L HN 0.701 nan 8.230 nan 0.000 0.439 876 E N -0.010 120.111 120.200 -0.131 0.000 2.028 876 E HA -0.219 4.131 4.350 -0.001 0.000 0.191 876 E C 2.159 178.754 176.600 -0.009 0.000 0.988 876 E CA 0.840 57.212 56.400 -0.047 0.000 0.799 876 E CB 0.041 29.712 29.700 -0.049 0.000 0.755 876 E HN 0.386 nan 8.360 nan 0.000 0.447 877 R N -0.392 120.084 120.500 -0.039 0.000 2.152 877 R HA -0.090 4.250 4.340 -0.001 0.000 0.232 877 R C 2.332 178.749 176.300 0.195 0.000 1.117 877 R CA 1.049 57.175 56.100 0.044 0.000 0.981 877 R CB -0.259 30.053 30.300 0.019 0.000 0.870 877 R HN 0.345 nan 8.270 nan 0.000 0.451 878 F N 0.814 120.774 119.950 0.016 0.000 2.084 878 F HA -0.162 4.365 4.527 -0.001 0.000 0.296 878 F C 2.813 178.621 175.800 0.014 0.000 1.111 878 F CA 0.253 58.263 58.000 0.017 0.000 1.224 878 F CB -0.335 38.677 39.000 0.021 0.000 0.991 878 F HN 0.098 nan 8.300 nan 0.000 0.471 879 A N 0.934 123.891 122.820 0.229 0.000 1.915 879 A HA -0.294 4.026 4.320 -0.001 0.000 0.220 879 A C 2.107 179.743 177.584 0.085 0.000 1.198 879 A CA 2.185 54.296 52.037 0.122 0.000 0.647 879 A CB -0.948 18.098 19.000 0.077 0.000 0.825 879 A HN 0.357 nan 8.150 nan 0.000 0.456 880 R N -1.287 119.261 120.500 0.080 0.000 2.075 880 R HA -0.047 4.293 4.340 -0.001 0.000 0.232 880 R C 2.021 178.354 176.300 0.055 0.000 1.126 880 R CA 1.232 57.366 56.100 0.056 0.000 0.963 880 R CB -0.690 29.639 30.300 0.049 0.000 0.858 880 R HN 0.378 nan 8.270 nan 0.000 0.435 881 V N 1.622 121.580 119.914 0.074 0.000 2.469 881 V HA -0.174 3.945 4.120 -0.001 0.000 0.251 881 V C 1.366 177.480 176.094 0.034 0.000 1.064 881 V CA 1.258 63.590 62.300 0.054 0.000 1.066 881 V CB -0.447 31.414 31.823 0.062 0.000 0.667 881 V HN 0.324 nan 8.190 nan 0.000 0.461 882 L N 0.000 121.247 121.223 0.041 0.000 2.949 882 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 882 L CA 0.000 54.856 54.840 0.026 0.000 0.813 882 L CB 0.000 42.072 42.059 0.022 0.000 0.961 882 L HN 0.000 nan 8.230 nan 0.000 0.502