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 2dbu_1_D DATA FIRST_RESID 391 DATA SEQUENCE TTHYSVVDKD GNAVAVTYTL NTTFGTGIVA GESGILLNNQ XDDFSAKPGV DATA SEQUENCE PNVYGLVGGD ANAVGPNKRP LSSXSPTIVV KDGKTWLVTG SPGGSRIITT DATA SEQUENCE VLQXVVNSID YGLNVAEATN APRFHHQWLP DELRVEKGFS PDTLKLLEAK DATA SEQUENCE GQKVALKEAX GSTQSIXVGP DGELYGASDP RSVDDLTAGY 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 391 T HA 0.000 nan 4.350 nan 0.000 0.228 391 T C 0.000 174.709 174.700 0.016 0.000 1.109 391 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 391 T CB 0.000 68.854 68.868 -0.024 0.000 0.612 392 T N 1.234 115.845 114.554 0.095 0.000 2.932 392 T HA 0.554 4.905 4.350 0.000 0.000 0.318 392 T C -2.146 172.697 174.700 0.238 0.000 1.265 392 T CA -0.603 61.593 62.100 0.159 0.000 1.036 392 T CB 1.465 70.437 68.868 0.174 0.000 1.209 392 T HN 0.725 nan 8.240 nan 0.000 0.484 393 H N 2.958 122.098 119.070 0.116 0.000 2.572 393 H HA 0.635 5.192 4.556 0.000 0.000 0.359 393 H C -1.670 173.729 175.328 0.118 0.000 1.134 393 H CA -0.456 55.617 56.048 0.042 0.000 1.187 393 H CB 1.599 31.348 29.762 -0.022 0.000 1.597 393 H HN 0.776 nan 8.280 nan 0.000 0.524 394 Y N 0.520 120.346 120.300 -0.790 0.000 2.534 394 Y HA 0.626 5.176 4.550 0.000 0.000 0.345 394 Y C -1.446 174.173 175.900 -0.469 0.000 1.031 394 Y CA -0.933 56.923 58.100 -0.406 0.000 1.022 394 Y CB 1.301 39.631 38.460 -0.216 0.000 1.292 394 Y HN 0.381 nan 8.280 nan 0.000 0.459 395 S N 1.503 117.217 115.700 0.023 0.000 2.568 395 S HA 0.861 5.331 4.470 0.000 0.000 0.293 395 S C -1.327 173.321 174.600 0.080 0.000 1.089 395 S CA -0.802 57.420 58.200 0.036 0.000 0.945 395 S CB 2.066 65.337 63.200 0.118 0.000 1.077 395 S HN 0.617 nan 8.310 nan 0.000 0.485 396 V N 1.950 121.895 119.914 0.053 0.000 2.808 396 V HA 0.631 4.751 4.120 0.000 0.000 0.308 396 V C -1.168 174.946 176.094 0.033 0.000 1.099 396 V CA -0.629 61.703 62.300 0.053 0.000 0.920 396 V CB 2.054 33.918 31.823 0.067 0.000 1.014 396 V HN 0.683 nan 8.190 nan 0.000 0.425 397 V N 3.520 123.451 119.914 0.029 0.000 2.623 397 V HA 0.511 4.631 4.120 0.000 0.000 0.304 397 V C -0.890 175.217 176.094 0.022 0.000 1.054 397 V CA -0.637 61.673 62.300 0.018 0.000 0.882 397 V CB 2.138 33.962 31.823 0.002 0.000 1.002 397 V HN 1.097 nan 8.190 nan 0.000 0.424 398 D N 3.451 123.865 120.400 0.024 0.000 2.440 398 D HA 0.274 4.914 4.640 0.000 0.000 0.258 398 D C 1.066 177.368 176.300 0.003 0.000 1.092 398 D CA -0.814 53.208 54.000 0.037 0.000 1.016 398 D CB 0.921 41.750 40.800 0.049 0.000 1.141 398 D HN 0.526 nan 8.370 nan 0.000 0.552 399 K N -0.613 119.788 120.400 0.002 0.000 2.360 399 K HA -0.160 4.160 4.320 0.000 0.000 0.201 399 K C 0.023 176.611 176.600 -0.019 0.000 1.046 399 K CA 1.194 57.457 56.287 -0.039 0.000 0.940 399 K CB -0.193 32.289 32.500 -0.030 0.000 0.748 399 K HN 0.254 nan 8.250 nan 0.000 0.465 400 D N 0.066 120.467 120.400 0.001 0.000 2.350 400 D HA 0.065 4.705 4.640 0.000 0.000 0.213 400 D C 1.041 177.344 176.300 0.004 0.000 1.031 400 D CA 0.954 54.956 54.000 0.004 0.000 0.861 400 D CB 0.910 41.716 40.800 0.011 0.000 0.926 400 D HN 0.543 nan 8.370 nan 0.000 0.520 401 G N 0.968 109.770 108.800 0.003 0.000 2.176 401 G HA2 -0.234 3.726 3.960 0.000 0.000 0.232 401 G HA3 -0.234 3.726 3.960 0.000 0.000 0.232 401 G C 0.227 175.135 174.900 0.014 0.000 0.986 401 G CA -0.505 44.600 45.100 0.009 0.000 0.643 401 G HN 0.172 nan 8.290 nan 0.000 0.522 402 N N 1.128 119.836 118.700 0.014 0.000 2.518 402 N HA 0.575 5.315 4.740 0.000 0.000 0.266 402 N C 0.226 175.745 175.510 0.015 0.000 1.196 402 N CA 0.996 54.054 53.050 0.015 0.000 0.947 402 N CB 1.516 40.012 38.487 0.014 0.000 1.098 402 N HN 0.920 nan 8.380 nan 0.000 0.450 403 A N 1.180 124.008 122.820 0.014 0.000 2.435 403 A HA 0.706 5.026 4.320 0.000 0.000 0.304 403 A C -0.890 176.697 177.584 0.004 0.000 1.064 403 A CA -0.585 51.459 52.037 0.012 0.000 0.727 403 A CB 1.353 20.363 19.000 0.016 0.000 1.284 403 A HN 0.347 nan 8.150 nan 0.000 0.415 404 V N 0.437 120.349 119.914 -0.003 0.000 2.760 404 V HA 0.789 4.910 4.120 0.000 0.000 0.309 404 V C -0.070 175.989 176.094 -0.060 0.000 1.077 404 V CA -0.227 62.055 62.300 -0.030 0.000 0.910 404 V CB 1.831 33.637 31.823 -0.029 0.000 1.008 404 V HN 1.531 nan 8.190 nan 0.000 0.424 405 A N 3.924 126.691 122.820 -0.089 0.000 2.335 405 A HA 0.894 5.215 4.320 0.000 0.000 0.304 405 A C -1.168 176.254 177.584 -0.270 0.000 1.118 405 A CA -0.536 51.441 52.037 -0.099 0.000 0.757 405 A CB 1.639 20.695 19.000 0.093 0.000 1.188 405 A HN 0.722 nan 8.150 nan 0.000 0.460 406 V N 2.253 121.743 119.914 -0.707 0.000 2.531 406 V HA 0.641 4.762 4.120 0.000 0.000 0.301 406 V C -0.252 175.398 176.094 -0.740 0.000 1.034 406 V CA -0.332 61.486 62.300 -0.804 0.000 0.865 406 V CB 2.083 33.111 31.823 -1.324 0.000 0.995 406 V HN 0.908 nan 8.190 nan 0.000 0.424 407 T N 5.646 120.054 114.554 -0.243 0.000 2.847 407 T HA 0.651 5.001 4.350 0.000 0.000 0.291 407 T C -0.882 173.884 174.700 0.110 0.000 0.998 407 T CA -0.396 61.706 62.100 0.004 0.000 0.967 407 T CB 0.702 69.649 68.868 0.132 0.000 0.954 407 T HN 0.716 nan 8.240 nan 0.000 0.441 408 Y N 0.002 120.280 120.300 -0.037 0.000 2.638 408 Y HA 0.895 5.446 4.550 0.000 0.000 0.339 408 Y C -0.516 175.390 175.900 0.009 0.000 1.084 408 Y CA -1.131 56.964 58.100 -0.007 0.000 1.068 408 Y CB 2.151 40.618 38.460 0.012 0.000 1.294 408 Y HN 0.607 nan 8.280 nan 0.000 0.480 409 T N 0.322 114.820 114.554 -0.093 0.000 2.722 409 T HA 0.300 4.650 4.350 0.000 0.000 0.314 409 T C -1.098 173.521 174.700 -0.135 0.000 1.675 409 T CA -0.704 61.304 62.100 -0.152 0.000 1.003 409 T CB 1.444 70.285 68.868 -0.045 0.000 1.602 409 T HN 0.821 nan 8.240 nan 0.000 0.496 410 L N 2.119 123.278 121.223 -0.107 0.000 2.766 410 L HA 0.375 4.715 4.340 0.000 0.000 0.242 410 L C 1.216 178.079 176.870 -0.011 0.000 1.136 410 L CA 0.346 55.152 54.840 -0.056 0.000 0.933 410 L CB -0.040 41.990 42.059 -0.049 0.000 1.241 410 L HN 0.866 nan 8.230 nan 0.000 0.522 411 N N -0.185 118.513 118.700 -0.003 0.000 3.181 411 N HA -0.209 4.531 4.740 0.000 0.000 0.233 411 N C 0.478 176.031 175.510 0.071 0.000 0.511 411 N CA 1.973 55.058 53.050 0.058 0.000 2.050 411 N CB -1.152 37.379 38.487 0.072 0.000 1.686 411 N HN 0.254 nan 8.380 nan 0.000 0.335 412 T N -1.173 113.418 114.554 0.061 0.000 2.726 412 T HA 0.474 4.824 4.350 0.000 0.000 0.294 412 T C 0.270 174.960 174.700 -0.016 0.000 1.013 412 T CA 0.567 62.692 62.100 0.041 0.000 0.996 412 T CB 0.178 69.058 68.868 0.020 0.000 1.016 412 T HN 0.502 nan 8.240 nan 0.000 0.529 413 T N 2.310 116.831 114.554 -0.056 0.000 2.829 413 T HA 0.226 4.576 4.350 0.000 0.000 0.293 413 T C -0.035 174.591 174.700 -0.124 0.000 0.970 413 T CA 0.184 62.150 62.100 -0.222 0.000 1.168 413 T CB -0.933 67.782 68.868 -0.254 0.000 0.911 413 T HN 0.623 nan 8.240 nan 0.000 0.535 414 F N 0.746 120.689 119.950 -0.012 0.000 2.794 414 F HA -0.241 4.286 4.527 0.000 0.000 0.335 414 F C 1.615 177.406 175.800 -0.016 0.000 0.653 414 F CA 1.226 59.216 58.000 -0.016 0.000 1.266 414 F CB -2.307 36.686 39.000 -0.011 0.000 1.666 414 F HN 1.130 nan 8.300 nan 0.000 0.314 415 G N 0.548 109.407 108.800 0.099 0.000 2.611 415 G HA2 -0.415 3.545 3.960 0.000 0.000 0.301 415 G HA3 -0.415 3.545 3.960 0.000 0.000 0.301 415 G C 1.081 176.029 174.900 0.080 0.000 1.233 415 G CA 1.832 46.973 45.100 0.067 0.000 0.993 415 G HN 1.229 nan 8.290 nan 0.000 0.553 416 T N -1.187 113.403 114.554 0.060 0.000 2.962 416 T HA 0.341 4.691 4.350 0.000 0.000 0.270 416 T C 2.685 177.416 174.700 0.052 0.000 1.088 416 T CA 1.992 64.120 62.100 0.048 0.000 1.127 416 T CB -0.256 68.632 68.868 0.033 0.000 0.883 416 T HN 2.806 nan 8.240 nan 0.000 0.493 417 G N 1.231 110.073 108.800 0.071 0.000 2.157 417 G HA2 -0.200 3.760 3.960 0.000 0.000 0.248 417 G HA3 -0.200 3.760 3.960 0.000 0.000 0.248 417 G C 0.005 174.906 174.900 0.002 0.000 0.979 417 G CA 0.067 45.191 45.100 0.039 0.000 0.650 417 G HN 0.670 nan 8.290 nan 0.000 0.529 418 I N 1.294 121.874 120.570 0.016 0.000 2.315 418 I HA 0.420 4.590 4.170 0.000 0.000 0.291 418 I C 0.605 176.727 176.117 0.007 0.000 1.006 418 I CA -1.008 60.295 61.300 0.005 0.000 1.265 418 I CB 1.656 39.663 38.000 0.010 0.000 1.387 418 I HN -0.127 nan 8.210 nan 0.000 0.475 419 V N 5.786 125.698 119.914 -0.003 0.000 2.509 419 V HA 0.348 4.468 4.120 0.000 0.000 0.284 419 V C 0.698 176.794 176.094 0.003 0.000 1.047 419 V CA -0.657 61.643 62.300 0.000 0.000 0.952 419 V CB 1.591 33.409 31.823 -0.009 0.000 0.988 419 V HN 0.850 nan 8.190 nan 0.000 0.469 420 A N 4.748 127.572 122.820 0.007 0.000 2.544 420 A HA 0.593 4.914 4.320 0.000 0.000 0.301 420 A C 1.228 178.815 177.584 0.005 0.000 1.368 420 A CA 0.487 52.529 52.037 0.008 0.000 1.045 420 A CB -0.971 18.036 19.000 0.012 0.000 1.129 420 A HN 1.764 nan 8.150 nan 0.000 0.540 421 G N 2.094 110.895 108.800 0.003 0.000 2.652 421 G HA2 -0.296 3.664 3.960 0.000 0.000 0.318 421 G HA3 -0.296 3.664 3.960 0.000 0.000 0.318 421 G C 0.498 175.398 174.900 -0.000 0.000 1.295 421 G CA 0.573 45.674 45.100 0.001 0.000 0.999 421 G HN 0.692 nan 8.290 nan 0.000 0.548 422 E N 1.358 121.559 120.200 0.001 0.000 2.368 422 E HA 0.187 4.537 4.350 0.000 0.000 0.188 422 E C 2.321 178.922 176.600 0.002 0.000 1.061 422 E CA 0.877 57.277 56.400 -0.000 0.000 0.933 422 E CB 0.171 29.871 29.700 -0.000 0.000 1.091 422 E HN 0.586 nan 8.360 nan 0.000 0.458 423 S N -0.747 114.955 115.700 0.004 0.000 2.470 423 S HA 0.080 4.551 4.470 0.000 0.000 0.225 423 S C 1.722 176.326 174.600 0.007 0.000 1.006 423 S CA 0.606 58.810 58.200 0.007 0.000 0.934 423 S CB 0.010 63.215 63.200 0.010 0.000 0.778 423 S HN 0.272 nan 8.310 nan 0.000 0.517 424 G N 1.064 109.867 108.800 0.004 0.000 2.148 424 G HA2 -0.232 3.728 3.960 0.000 0.000 0.254 424 G HA3 -0.232 3.728 3.960 0.000 0.000 0.254 424 G C -0.055 174.851 174.900 0.010 0.000 0.981 424 G CA 0.380 45.482 45.100 0.004 0.000 0.670 424 G HN 0.617 nan 8.290 nan 0.000 0.528 425 I N 1.040 121.617 120.570 0.012 0.000 2.321 425 I HA 0.390 4.560 4.170 0.000 0.000 0.291 425 I C 0.909 177.037 176.117 0.018 0.000 0.998 425 I CA -0.924 60.386 61.300 0.017 0.000 1.227 425 I CB 1.257 39.268 38.000 0.018 0.000 1.368 425 I HN -0.052 nan 8.210 nan 0.000 0.466 426 L N 6.826 128.065 121.223 0.026 0.000 2.426 426 L HA 0.274 4.614 4.340 0.000 0.000 0.271 426 L C -0.204 176.683 176.870 0.029 0.000 1.169 426 L CA -0.165 54.696 54.840 0.035 0.000 0.836 426 L CB 0.523 42.623 42.059 0.069 0.000 1.112 426 L HN 0.422 nan 8.230 nan 0.000 0.465 427 L N 2.825 124.066 121.223 0.030 0.000 2.309 427 L HA 0.300 4.640 4.340 0.000 0.000 0.282 427 L C 0.137 177.024 176.870 0.029 0.000 1.036 427 L CA -0.821 54.034 54.840 0.026 0.000 0.806 427 L CB 1.515 43.589 42.059 0.024 0.000 1.220 427 L HN 0.681 nan 8.230 nan 0.000 0.429 428 N N 0.998 119.711 118.700 0.021 0.000 2.371 428 N HA 0.028 4.768 4.740 0.000 0.000 0.243 428 N C -0.245 175.282 175.510 0.029 0.000 1.287 428 N CA -0.467 52.595 53.050 0.019 0.000 0.911 428 N CB 0.290 38.783 38.487 0.011 0.000 1.142 428 N HN 0.614 nan 8.380 nan 0.000 0.451 429 N N -0.984 117.734 118.700 0.030 0.000 2.599 429 N HA 0.148 4.888 4.740 0.000 0.000 0.309 429 N C -0.749 174.784 175.510 0.037 0.000 1.743 429 N CA -0.566 52.504 53.050 0.035 0.000 0.918 429 N CB 0.348 38.853 38.487 0.029 0.000 1.339 429 N HN 0.578 nan 8.380 nan 0.000 0.493 433 D N -0.120 120.295 120.400 0.026 0.000 2.363 433 D HA 0.100 4.740 4.640 0.000 0.000 0.220 433 D C 0.231 176.501 176.300 -0.050 0.000 0.994 433 D CA 0.449 54.443 54.000 -0.010 0.000 0.890 433 D CB 0.058 40.809 40.800 -0.081 0.000 0.906 433 D HN 0.287 nan 8.370 nan 0.000 0.530 434 F N 0.357 120.338 119.950 0.053 0.000 2.378 434 F HA 0.093 4.620 4.527 0.000 0.000 0.319 434 F C 1.293 177.119 175.800 0.043 0.000 1.155 434 F CA -0.598 57.428 58.000 0.044 0.000 1.157 434 F CB 0.938 39.957 39.000 0.033 0.000 1.252 434 F HN -0.362 nan 8.300 nan 0.000 0.550 435 S N 1.720 117.599 115.700 0.298 0.000 2.400 435 S HA 0.385 4.856 4.470 0.000 0.000 0.295 435 S C 0.728 175.405 174.600 0.128 0.000 1.113 435 S CA -0.339 57.961 58.200 0.168 0.000 1.064 435 S CB 0.590 63.873 63.200 0.137 0.000 0.990 435 S HN 0.748 nan 8.310 nan 0.000 0.502 436 A N 5.079 127.959 122.820 0.100 0.000 1.972 436 A HA 0.144 4.464 4.320 0.000 0.000 0.219 436 A C 1.000 178.605 177.584 0.035 0.000 1.169 436 A CA 1.053 53.126 52.037 0.059 0.000 0.635 436 A CB -0.068 18.961 19.000 0.049 0.000 0.810 436 A HN 0.741 nan 8.150 nan 0.000 0.446 437 K N -0.798 119.628 120.400 0.042 0.000 2.561 437 K HA 0.378 4.698 4.320 0.000 0.000 0.254 437 K C -3.316 173.308 176.600 0.041 0.000 0.942 437 K CA -2.055 54.251 56.287 0.032 0.000 0.818 437 K CB 1.745 34.258 32.500 0.022 0.000 1.306 437 K HN -0.192 nan 8.250 nan 0.000 0.435 438 P HA 0.017 nan 4.420 nan 0.000 0.260 438 P C 0.306 177.633 177.300 0.046 0.000 1.185 438 P CA 1.419 64.547 63.100 0.048 0.000 0.763 438 P CB 0.536 32.260 31.700 0.040 0.000 0.776 439 G N 1.631 110.466 108.800 0.057 0.000 2.175 439 G HA2 -0.191 3.769 3.960 0.000 0.000 0.244 439 G HA3 -0.191 3.769 3.960 0.000 0.000 0.244 439 G C -0.042 174.878 174.900 0.034 0.000 0.982 439 G CA -0.208 44.920 45.100 0.048 0.000 0.641 439 G HN 0.518 nan 8.290 nan 0.000 0.527 440 V N 3.161 123.098 119.914 0.039 0.000 2.384 440 V HA 0.545 4.666 4.120 0.000 0.000 0.287 440 V C -1.304 174.814 176.094 0.040 0.000 1.020 440 V CA -1.515 60.803 62.300 0.029 0.000 0.850 440 V CB 1.754 33.592 31.823 0.025 0.000 0.987 440 V HN 0.249 nan 8.190 nan 0.000 0.436 441 P HA 0.198 nan 4.420 nan 0.000 0.274 441 P C -0.740 176.579 177.300 0.031 0.000 1.231 441 P CA -0.225 62.901 63.100 0.043 0.000 0.790 441 P CB 1.019 32.737 31.700 0.030 0.000 0.951 442 N N 0.742 119.467 118.700 0.041 0.000 2.514 442 N HA -0.004 4.736 4.740 0.000 0.000 0.299 442 N C 1.157 176.627 175.510 -0.067 0.000 1.292 442 N CA -0.712 52.338 53.050 0.001 0.000 0.963 442 N CB -0.835 37.671 38.487 0.031 0.000 1.124 442 N HN 0.106 nan 8.380 nan 0.000 0.580 443 V N -0.625 119.170 119.914 -0.199 0.000 2.546 443 V HA -0.214 3.906 4.120 0.000 0.000 0.254 443 V C 0.644 176.519 176.094 -0.366 0.000 1.076 443 V CA 1.685 63.780 62.300 -0.341 0.000 1.087 443 V CB -1.023 30.475 31.823 -0.542 0.000 0.674 443 V HN 0.576 nan 8.190 nan 0.000 0.470 444 Y N 0.219 120.529 120.300 0.016 0.000 2.457 444 Y HA 0.489 5.039 4.550 0.000 0.000 0.263 444 Y C 1.808 177.730 175.900 0.035 0.000 1.164 444 Y CA 0.002 58.113 58.100 0.018 0.000 1.274 444 Y CB -0.122 38.346 38.460 0.013 0.000 1.097 444 Y HN 0.295 nan 8.280 nan 0.000 0.523 445 G N 0.507 109.379 108.800 0.120 0.000 2.148 445 G HA2 -0.287 3.673 3.960 0.000 0.000 0.254 445 G HA3 -0.287 3.673 3.960 0.000 0.000 0.254 445 G C -0.065 174.909 174.900 0.123 0.000 0.981 445 G CA 0.003 45.161 45.100 0.097 0.000 0.670 445 G HN 0.277 nan 8.290 nan 0.000 0.528 446 L N 0.439 121.755 121.223 0.155 0.000 2.334 446 L HA 0.704 5.044 4.340 0.000 0.000 0.277 446 L C 1.014 177.965 176.870 0.135 0.000 1.075 446 L CA -0.993 53.943 54.840 0.161 0.000 0.804 446 L CB 1.531 43.693 42.059 0.171 0.000 1.174 446 L HN 0.239 nan 8.230 nan 0.000 0.438 447 V N -0.499 119.506 119.914 0.152 0.000 3.103 447 V HA 1.090 5.210 4.120 0.000 0.000 0.318 447 V C -0.030 176.150 176.094 0.144 0.000 1.114 447 V CA -0.249 62.133 62.300 0.136 0.000 1.020 447 V CB 1.595 33.497 31.823 0.132 0.000 1.085 447 V HN 0.849 nan 8.190 nan 0.000 0.446 448 G N -1.059 107.815 108.800 0.124 0.000 2.619 448 G HA2 0.791 4.751 3.960 0.000 0.000 0.305 448 G HA3 0.791 4.751 3.960 0.000 0.000 0.305 448 G C -0.430 174.528 174.900 0.097 0.000 1.330 448 G CA 0.041 45.209 45.100 0.114 0.000 0.789 448 G HN 1.406 nan 8.290 nan 0.000 0.487 449 G N -1.199 107.653 108.800 0.086 0.000 3.382 449 G HA2 0.449 4.410 3.960 0.000 0.000 0.183 449 G HA3 0.449 4.410 3.960 0.000 0.000 0.183 449 G C -0.006 174.931 174.900 0.062 0.000 1.246 449 G CA 0.693 45.834 45.100 0.069 0.000 0.828 449 G HN 0.383 nan 8.290 nan 0.000 0.728 450 D N 0.786 121.216 120.400 0.049 0.000 2.149 450 D HA 0.079 4.720 4.640 0.000 0.000 0.201 450 D C 2.607 178.938 176.300 0.052 0.000 0.972 450 D CA 1.242 55.267 54.000 0.041 0.000 0.835 450 D CB -0.357 40.461 40.800 0.029 0.000 0.966 450 D HN 0.311 nan 8.370 nan 0.000 0.476 451 A N 0.818 123.672 122.820 0.058 0.000 1.883 451 A HA -0.200 4.120 4.320 0.000 0.000 0.217 451 A C 1.816 179.461 177.584 0.102 0.000 1.186 451 A CA 1.438 53.514 52.037 0.065 0.000 0.624 451 A CB -0.636 18.396 19.000 0.053 0.000 0.822 451 A HN 0.277 nan 8.150 nan 0.000 0.444 452 N N -0.466 118.309 118.700 0.126 0.000 2.321 452 N HA 0.379 5.119 4.740 0.000 0.000 0.242 452 N C 0.058 175.740 175.510 0.287 0.000 1.141 452 N CA 0.105 53.281 53.050 0.209 0.000 0.864 452 N CB -0.008 38.575 38.487 0.161 0.000 1.100 452 N HN 0.451 nan 8.380 nan 0.000 0.510 453 A N 0.460 123.372 122.820 0.153 0.000 2.351 453 A HA 0.319 4.639 4.320 0.000 0.000 0.257 453 A C 0.495 177.991 177.584 -0.147 0.000 1.087 453 A CA -0.296 51.771 52.037 0.050 0.000 0.798 453 A CB 0.706 19.709 19.000 0.004 0.000 1.033 453 A HN 0.091 nan 8.150 nan 0.000 0.488 454 V N 1.141 120.832 119.914 -0.373 0.000 2.763 454 V HA 0.464 4.584 4.120 0.000 0.000 0.306 454 V C 1.026 176.810 176.094 -0.517 0.000 1.059 454 V CA 1.139 62.901 62.300 -0.897 0.000 1.138 454 V CB 0.578 32.058 31.823 -0.571 0.000 0.940 454 V HN 1.271 nan 8.190 nan 0.000 0.489 455 G N 4.935 113.406 108.800 -0.548 0.000 2.720 455 G HA2 0.637 4.597 3.960 0.000 0.000 0.295 455 G HA3 0.637 4.597 3.960 0.000 0.000 0.295 455 G C -3.164 171.638 174.900 -0.163 0.000 1.437 455 G CA -0.989 43.969 45.100 -0.238 0.000 0.886 455 G HN 0.558 nan 8.290 nan 0.000 0.509 456 P HA 0.129 nan 4.420 nan 0.000 0.268 456 P C 0.021 177.323 177.300 0.004 0.000 1.204 456 P CA 0.082 63.161 63.100 -0.035 0.000 0.768 456 P CB 0.812 32.498 31.700 -0.024 0.000 0.842 457 N N -1.329 117.390 118.700 0.033 0.000 2.863 457 N HA -0.184 4.556 4.740 0.000 0.000 0.245 457 N C 0.253 175.819 175.510 0.093 0.000 1.001 457 N CA 1.247 54.332 53.050 0.057 0.000 0.901 457 N CB -1.289 37.221 38.487 0.038 0.000 1.124 457 N HN 0.605 nan 8.380 nan 0.000 0.582 458 K N 1.207 121.686 120.400 0.132 0.000 2.185 458 K HA 0.284 4.604 4.320 0.000 0.000 0.271 458 K C -0.053 176.754 176.600 0.345 0.000 1.013 458 K CA -0.317 56.102 56.287 0.220 0.000 0.943 458 K CB 0.681 33.314 32.500 0.222 0.000 0.998 458 K HN 0.050 nan 8.250 nan 0.000 0.468 459 R N 4.272 124.898 120.500 0.211 0.000 2.229 459 R HA 0.248 4.589 4.340 0.000 0.000 0.328 459 R C -2.138 174.100 176.300 -0.103 0.000 1.009 459 R CA -1.841 54.302 56.100 0.072 0.000 0.864 459 R CB 0.754 31.071 30.300 0.028 0.000 1.085 459 R HN 0.514 nan 8.270 nan 0.000 0.453 460 P HA -0.051 nan 4.420 nan 0.000 0.268 460 P C -0.424 176.634 177.300 -0.403 0.000 1.205 460 P CA -0.488 61.970 63.100 -1.070 0.000 0.771 460 P CB 0.721 31.589 31.700 -1.386 0.000 0.858 461 L N 2.423 123.488 121.223 -0.262 0.000 2.490 461 L HA 0.177 4.518 4.340 0.000 0.000 0.274 461 L C 0.526 177.336 176.870 -0.100 0.000 1.201 461 L CA 0.993 55.768 54.840 -0.108 0.000 0.869 461 L CB 0.123 42.161 42.059 -0.036 0.000 1.123 461 L HN 0.483 nan 8.230 nan 0.000 0.484 462 S N 2.423 118.082 115.700 -0.069 0.000 2.638 462 S HA 0.806 5.277 4.470 0.000 0.000 0.302 462 S C -0.390 174.177 174.600 -0.055 0.000 1.096 462 S CA -0.573 57.589 58.200 -0.064 0.000 0.953 462 S CB 1.398 64.563 63.200 -0.059 0.000 1.107 462 S HN 0.785 nan 8.310 nan 0.000 0.503 466 P HA 0.297 nan 4.420 nan 0.000 0.268 466 P C -0.556 176.731 177.300 -0.022 0.000 1.204 466 P CA 0.319 63.428 63.100 0.016 0.000 0.768 466 P CB 0.666 32.405 31.700 0.064 0.000 0.842 467 T N 3.630 118.160 114.554 -0.040 0.000 2.912 467 T HA 0.577 4.927 4.350 0.000 0.000 0.299 467 T C -0.169 174.524 174.700 -0.011 0.000 1.052 467 T CA -0.352 61.730 62.100 -0.031 0.000 0.996 467 T CB 0.952 69.788 68.868 -0.053 0.000 1.070 467 T HN 0.237 nan 8.240 nan 0.000 0.465 468 I N 2.496 123.071 120.570 0.008 0.000 2.466 468 I HA 0.489 4.660 4.170 0.000 0.000 0.289 468 I C -0.705 175.445 176.117 0.055 0.000 1.026 468 I CA -1.077 60.239 61.300 0.027 0.000 1.078 468 I CB 2.043 40.060 38.000 0.028 0.000 1.249 468 I HN 0.263 nan 8.210 nan 0.000 0.429 469 V N 6.971 126.943 119.914 0.097 0.000 2.435 469 V HA 0.426 4.546 4.120 0.000 0.000 0.290 469 V C -0.022 176.207 176.094 0.224 0.000 1.030 469 V CA -0.675 61.727 62.300 0.170 0.000 0.881 469 V CB 2.037 34.030 31.823 0.284 0.000 0.983 469 V HN 0.383 nan 8.190 nan 0.000 0.445 470 V N 4.773 124.778 119.914 0.152 0.000 2.459 470 V HA 0.520 4.640 4.120 0.000 0.000 0.295 470 V C -0.096 176.028 176.094 0.049 0.000 1.029 470 V CA -0.772 61.602 62.300 0.122 0.000 0.874 470 V CB 1.726 33.586 31.823 0.063 0.000 0.985 470 V HN 0.870 nan 8.190 nan 0.000 0.438 471 K N 3.067 123.482 120.400 0.024 0.000 2.376 471 K HA 0.356 4.677 4.320 0.000 0.000 0.257 471 K C -0.651 175.897 176.600 -0.088 0.000 0.939 471 K CA -0.493 55.703 56.287 -0.152 0.000 0.809 471 K CB 1.073 33.293 32.500 -0.467 0.000 1.121 471 K HN 0.759 nan 8.250 nan 0.000 0.425 472 D N 3.510 123.853 120.400 -0.095 0.000 2.708 472 D HA -0.197 4.443 4.640 0.000 0.000 0.236 472 D C 0.659 176.944 176.300 -0.024 0.000 1.146 472 D CA 1.687 55.651 54.000 -0.059 0.000 0.662 472 D CB -1.240 39.523 40.800 -0.061 0.000 1.059 472 D HN 1.105 nan 8.370 nan 0.000 0.428 473 G N -0.643 108.148 108.800 -0.015 0.000 2.189 473 G HA2 -0.375 3.585 3.960 0.000 0.000 0.267 473 G HA3 -0.375 3.585 3.960 0.000 0.000 0.267 473 G C 0.265 175.178 174.900 0.021 0.000 0.975 473 G CA 1.023 46.125 45.100 0.002 0.000 0.644 473 G HN 0.524 nan 8.290 nan 0.000 0.537 474 K N 0.413 120.835 120.400 0.036 0.000 2.316 474 K HA 0.520 4.840 4.320 0.000 0.000 0.251 474 K C 0.003 176.670 176.600 0.112 0.000 0.934 474 K CA -0.653 55.673 56.287 0.065 0.000 0.802 474 K CB 1.517 34.059 32.500 0.069 0.000 1.171 474 K HN 0.042 nan 8.250 nan 0.000 0.426 475 T N 1.603 116.220 114.554 0.105 0.000 2.866 475 T HA -0.085 4.265 4.350 0.000 0.000 0.293 475 T C 0.089 174.917 174.700 0.213 0.000 1.005 475 T CA 0.561 62.738 62.100 0.128 0.000 1.162 475 T CB 0.181 69.095 68.868 0.078 0.000 0.968 475 T HN 0.678 nan 8.240 nan 0.000 0.530 476 W N 4.283 125.592 121.300 0.015 0.000 3.283 476 W HA 0.520 5.181 4.660 0.000 0.000 0.235 476 W C -0.755 175.781 176.519 0.028 0.000 1.123 476 W CA -0.254 57.104 57.345 0.022 0.000 1.534 476 W CB 0.387 29.853 29.460 0.011 0.000 0.839 476 W HN 0.485 nan 8.180 nan 0.000 0.734 477 L N 1.635 122.821 121.223 -0.062 0.000 2.438 477 L HA 0.629 4.969 4.340 0.000 0.000 0.270 477 L C -1.597 175.224 176.870 -0.081 0.000 0.972 477 L CA -0.979 53.708 54.840 -0.255 0.000 0.831 477 L CB 1.884 43.707 42.059 -0.394 0.000 1.273 477 L HN -0.241 nan 8.230 nan 0.000 0.405 478 V N 4.290 124.157 119.914 -0.080 0.000 2.409 478 V HA 0.842 4.962 4.120 0.000 0.000 0.291 478 V C 0.015 176.096 176.094 -0.022 0.000 1.020 478 V CA -0.166 62.122 62.300 -0.020 0.000 0.848 478 V CB 1.335 33.163 31.823 0.008 0.000 0.990 478 V HN 0.924 nan 8.190 nan 0.000 0.430 479 T N 2.490 117.018 114.554 -0.042 0.000 2.671 479 T HA 0.903 5.253 4.350 0.000 0.000 0.300 479 T C -0.458 173.973 174.700 -0.447 0.000 1.238 479 T CA 0.240 62.255 62.100 -0.141 0.000 1.020 479 T CB 1.965 70.746 68.868 -0.145 0.000 1.503 479 T HN 1.408 nan 8.240 nan 0.000 0.497 480 G N 0.329 108.668 108.800 -0.769 0.000 2.320 480 G HA2 0.515 4.475 3.960 0.000 0.000 0.297 480 G HA3 0.515 4.475 3.960 0.000 0.000 0.297 480 G C -1.120 173.342 174.900 -0.730 0.000 1.344 480 G CA 0.483 44.936 45.100 -1.079 0.000 0.851 480 G HN 1.359 nan 8.290 nan 0.000 0.567 481 S N -0.338 115.146 115.700 -0.360 0.000 2.622 481 S HA 0.798 5.269 4.470 0.000 0.000 0.275 481 S C -3.119 171.453 174.600 -0.046 0.000 1.112 481 S CA -0.092 58.041 58.200 -0.111 0.000 0.837 481 S CB 2.055 65.186 63.200 -0.115 0.000 1.082 481 S HN 0.687 nan 8.310 nan 0.000 0.456 482 P HA 0.674 nan 4.420 nan 0.000 0.301 482 P C 0.390 177.637 177.300 -0.089 0.000 1.309 482 P CA 0.451 63.527 63.100 -0.040 0.000 0.782 482 P CB 0.930 32.623 31.700 -0.011 0.000 1.282 483 G N -2.799 105.923 108.800 -0.130 0.000 2.200 483 G HA2 0.190 4.150 3.960 0.000 0.000 0.145 483 G HA3 0.190 4.150 3.960 0.000 0.000 0.145 483 G C 0.597 175.327 174.900 -0.284 0.000 1.021 483 G CA 0.430 45.432 45.100 -0.164 0.000 0.720 483 G HN 0.858 nan 8.290 nan 0.000 0.494 484 G N 0.644 109.186 108.800 -0.430 0.000 2.634 484 G HA2 -0.135 3.826 3.960 0.000 0.000 0.309 484 G HA3 -0.135 3.826 3.960 0.000 0.000 0.309 484 G C 1.877 176.507 174.900 -0.451 0.000 1.265 484 G CA 2.654 47.272 45.100 -0.804 0.000 0.998 484 G HN 1.976 nan 8.290 nan 0.000 0.551 485 S N 0.076 115.556 115.700 -0.367 0.000 2.419 485 S HA -0.143 4.328 4.470 0.000 0.000 0.235 485 S C 2.075 176.616 174.600 -0.098 0.000 1.019 485 S CA 2.089 60.222 58.200 -0.111 0.000 0.982 485 S CB -0.188 63.044 63.200 0.054 0.000 0.789 485 S HN 0.706 nan 8.310 nan 0.000 0.490 486 R N 0.915 121.253 120.500 -0.271 0.000 2.307 486 R HA 0.401 4.742 4.340 0.000 0.000 0.199 486 R C 1.840 178.032 176.300 -0.180 0.000 1.000 486 R CA 0.442 56.310 56.100 -0.387 0.000 1.023 486 R CB -0.795 29.192 30.300 -0.522 0.000 0.908 486 R HN 0.504 nan 8.270 nan 0.000 0.473 487 I N 0.266 120.745 120.570 -0.151 0.000 2.163 487 I HA -0.336 3.834 4.170 0.000 0.000 0.243 487 I C 1.875 177.943 176.117 -0.082 0.000 1.085 487 I CA 1.554 62.784 61.300 -0.118 0.000 1.347 487 I CB -0.306 37.622 38.000 -0.120 0.000 1.044 487 I HN 0.109 nan 8.210 nan 0.000 0.408 488 I N 0.743 121.282 120.570 -0.051 0.000 2.113 488 I HA -0.366 3.804 4.170 0.000 0.000 0.242 488 I C 2.775 178.878 176.117 -0.023 0.000 1.064 488 I CA 2.349 63.633 61.300 -0.027 0.000 1.320 488 I CB -0.894 37.109 38.000 0.004 0.000 1.028 488 I HN 0.433 nan 8.210 nan 0.000 0.406 489 T N -2.997 111.566 114.554 0.014 0.000 2.904 489 T HA -0.105 4.245 4.350 0.000 0.000 0.267 489 T C 1.793 176.450 174.700 -0.071 0.000 1.059 489 T CA 1.614 63.705 62.100 -0.014 0.000 1.137 489 T CB -0.710 68.214 68.868 0.094 0.000 0.879 489 T HN 0.231 nan 8.240 nan 0.000 0.467 490 T N 1.893 116.407 114.554 -0.068 0.000 2.737 490 T HA -0.024 4.326 4.350 0.000 0.000 0.265 490 T C 2.125 176.781 174.700 -0.073 0.000 1.038 490 T CA 1.277 63.333 62.100 -0.073 0.000 1.144 490 T CB -0.556 68.264 68.868 -0.080 0.000 0.866 490 T HN 0.249 nan 8.240 nan 0.000 0.434 491 V N 1.696 121.561 119.914 -0.083 0.000 2.343 491 V HA -0.105 4.015 4.120 0.000 0.000 0.247 491 V C 2.409 178.466 176.094 -0.061 0.000 1.051 491 V CA 1.274 63.521 62.300 -0.087 0.000 1.036 491 V CB -0.720 31.042 31.823 -0.100 0.000 0.654 491 V HN 0.337 nan 8.190 nan 0.000 0.451 492 L N 0.067 121.256 121.223 -0.055 0.000 2.043 492 L HA -0.163 4.178 4.340 0.000 0.000 0.212 492 L C 1.644 178.492 176.870 -0.036 0.000 1.075 492 L CA 1.693 56.506 54.840 -0.045 0.000 0.752 492 L CB -0.557 41.471 42.059 -0.051 0.000 0.891 492 L HN 0.414 nan 8.230 nan 0.000 0.432 496 V N 1.322 121.215 119.914 -0.035 0.000 2.295 496 V HA -0.251 3.869 4.120 0.000 0.000 0.246 496 V C 2.062 178.019 176.094 -0.229 0.000 1.049 496 V CA 3.078 65.288 62.300 -0.149 0.000 1.024 496 V CB -0.903 30.835 31.823 -0.142 0.000 0.648 496 V HN 0.637 nan 8.190 nan 0.000 0.447 497 N N 0.017 118.698 118.700 -0.030 0.000 2.094 497 N HA -0.182 4.558 4.740 0.000 0.000 0.191 497 N C 1.956 177.526 175.510 0.099 0.000 1.023 497 N CA 1.646 54.779 53.050 0.138 0.000 0.857 497 N CB -0.158 38.440 38.487 0.185 0.000 1.013 497 N HN 0.407 nan 8.380 nan 0.000 0.426 498 S N 0.558 116.307 115.700 0.081 0.000 2.371 498 S HA 0.045 4.515 4.470 0.000 0.000 0.224 498 S C 1.988 176.759 174.600 0.285 0.000 1.029 498 S CA 0.630 58.931 58.200 0.169 0.000 0.978 498 S CB -0.004 63.259 63.200 0.106 0.000 0.833 498 S HN 0.242 nan 8.310 nan 0.000 0.466 499 I N 1.583 122.261 120.570 0.180 0.000 2.270 499 I HA -0.088 4.082 4.170 0.000 0.000 0.239 499 I C 1.905 177.998 176.117 -0.040 0.000 1.080 499 I CA 1.027 62.369 61.300 0.069 0.000 1.383 499 I CB -0.319 37.689 38.000 0.013 0.000 1.097 499 I HN 0.160 nan 8.210 nan 0.000 0.420 500 D N 0.428 120.727 120.400 -0.168 0.000 2.103 500 D HA -0.137 4.503 4.640 0.000 0.000 0.199 500 D C 1.837 178.071 176.300 -0.111 0.000 0.978 500 D CA 1.583 55.437 54.000 -0.244 0.000 0.829 500 D CB -0.131 40.368 40.800 -0.502 0.000 0.981 500 D HN 0.336 nan 8.370 nan 0.000 0.464 501 Y N 0.174 120.514 120.300 0.066 0.000 2.466 501 Y HA 0.328 4.878 4.550 0.001 0.000 0.272 501 Y C 1.713 177.646 175.900 0.054 0.000 1.169 501 Y CA -0.360 57.775 58.100 0.057 0.000 1.285 501 Y CB -0.366 38.132 38.460 0.063 0.000 1.078 501 Y HN -0.052 nan 8.280 nan 0.000 0.523 502 G N 1.298 110.197 108.800 0.163 0.000 2.356 502 G HA2 -0.301 3.660 3.960 0.000 0.000 0.296 502 G HA3 -0.301 3.660 3.960 0.000 0.000 0.296 502 G C -0.094 174.879 174.900 0.121 0.000 1.022 502 G CA 0.131 45.312 45.100 0.134 0.000 0.961 502 G HN 0.324 nan 8.290 nan 0.000 0.510 503 L N 0.455 121.757 121.223 0.132 0.000 2.375 503 L HA 0.321 4.662 4.340 0.000 0.000 0.271 503 L C 1.386 178.276 176.870 0.035 0.000 1.107 503 L CA -0.883 54.007 54.840 0.084 0.000 0.806 503 L CB 0.701 42.821 42.059 0.102 0.000 1.146 503 L HN 0.550 nan 8.230 nan 0.000 0.447 504 N N 1.104 119.800 118.700 -0.007 0.000 2.354 504 N HA -0.016 4.724 4.740 0.000 0.000 0.246 504 N C 0.847 176.320 175.510 -0.061 0.000 1.285 504 N CA -0.685 52.326 53.050 -0.065 0.000 0.925 504 N CB 1.434 39.866 38.487 -0.092 0.000 1.174 504 N HN 0.404 nan 8.380 nan 0.000 0.478 505 V N 0.937 120.793 119.914 -0.098 0.000 2.469 505 V HA -0.258 3.862 4.120 0.000 0.000 0.251 505 V C 2.402 178.474 176.094 -0.036 0.000 1.064 505 V CA 2.479 64.729 62.300 -0.083 0.000 1.066 505 V CB -1.144 30.624 31.823 -0.091 0.000 0.667 505 V HN 0.860 nan 8.190 nan 0.000 0.461 506 A N -0.724 122.085 122.820 -0.018 0.000 1.872 506 A HA -0.183 4.137 4.320 0.000 0.000 0.214 506 A C 2.031 179.612 177.584 -0.004 0.000 1.187 506 A CA 1.603 53.638 52.037 -0.003 0.000 0.614 506 A CB -0.544 18.460 19.000 0.007 0.000 0.826 506 A HN 0.658 nan 8.150 nan 0.000 0.442 507 E N -0.038 120.160 120.200 -0.003 0.000 2.085 507 E HA -0.154 4.196 4.350 0.000 0.000 0.194 507 E C 2.263 178.872 176.600 0.015 0.000 0.994 507 E CA 1.062 57.465 56.400 0.005 0.000 0.801 507 E CB -0.311 29.396 29.700 0.011 0.000 0.743 507 E HN 0.609 nan 8.360 nan 0.000 0.453 508 A N 0.779 123.610 122.820 0.018 0.000 1.933 508 A HA -0.171 4.149 4.320 0.000 0.000 0.218 508 A C 2.343 179.939 177.584 0.020 0.000 1.175 508 A CA 1.812 53.870 52.037 0.034 0.000 0.628 508 A CB -0.720 18.291 19.000 0.018 0.000 0.814 508 A HN 0.175 nan 8.150 nan 0.000 0.444 509 T N 0.457 115.012 114.554 0.001 0.000 2.812 509 T HA -0.080 4.271 4.350 0.000 0.000 0.264 509 T C 1.635 176.334 174.700 -0.001 0.000 1.042 509 T CA 1.282 63.380 62.100 -0.003 0.000 1.140 509 T CB -0.327 68.538 68.868 -0.006 0.000 0.870 509 T HN 0.537 nan 8.240 nan 0.000 0.445 510 N N 1.267 119.965 118.700 -0.004 0.000 2.467 510 N HA 0.172 4.912 4.740 0.000 0.000 0.184 510 N C 0.609 176.104 175.510 -0.025 0.000 1.106 510 N CA -0.099 52.943 53.050 -0.013 0.000 0.892 510 N CB 0.102 38.581 38.487 -0.013 0.000 0.969 510 N HN 0.336 nan 8.380 nan 0.000 0.454 511 A N 2.718 125.530 122.820 -0.014 0.000 2.386 511 A HA 0.290 4.610 4.320 0.000 0.000 0.248 511 A C -1.936 175.618 177.584 -0.050 0.000 1.082 511 A CA -0.963 51.055 52.037 -0.032 0.000 0.789 511 A CB -0.044 18.968 19.000 0.020 0.000 1.025 511 A HN 0.011 nan 8.150 nan 0.000 0.490 512 P HA 0.297 nan 4.420 nan 0.000 0.272 512 P C -0.803 176.544 177.300 0.079 0.000 1.230 512 P CA 0.013 62.977 63.100 -0.226 0.000 0.788 512 P CB 0.658 31.883 31.700 -0.791 0.000 0.949 513 R N 1.011 121.664 120.500 0.256 0.000 2.740 513 R HA 0.680 5.020 4.340 0.000 0.000 0.282 513 R C -0.384 176.264 176.300 0.579 0.000 0.969 513 R CA -0.643 55.691 56.100 0.389 0.000 0.918 513 R CB 1.374 31.761 30.300 0.144 0.000 1.175 513 R HN 0.489 nan 8.270 nan 0.000 0.464 514 F N -0.970 119.157 119.950 0.294 0.000 2.593 514 F HA 0.706 5.233 4.527 0.000 0.000 0.320 514 F C -0.682 175.232 175.800 0.190 0.000 1.060 514 F CA -1.185 56.905 58.000 0.150 0.000 0.940 514 F CB 1.537 40.474 39.000 -0.104 0.000 1.268 514 F HN 0.568 nan 8.300 nan 0.000 0.475 515 H N -0.056 119.072 119.070 0.096 0.000 3.046 515 H HA 0.497 5.053 4.556 0.000 0.000 0.361 515 H C -2.234 173.167 175.328 0.121 0.000 1.235 515 H CA -0.595 55.462 56.048 0.016 0.000 1.146 515 H CB 1.601 31.360 29.762 -0.005 0.000 1.859 515 H HN 0.892 nan 8.280 nan 0.000 0.548 516 H N 3.338 121.983 119.070 -0.707 0.000 3.149 516 H HA 0.151 4.708 4.556 0.000 0.000 0.334 516 H C -1.020 173.991 175.328 -0.528 0.000 1.000 516 H CA -0.404 55.377 56.048 -0.446 0.000 1.415 516 H CB 1.585 31.282 29.762 -0.109 0.000 1.819 516 H HN 0.881 nan 8.280 nan 0.000 0.486 517 Q N 3.744 123.456 119.800 -0.147 0.000 2.225 517 Q HA 0.143 4.484 4.340 0.000 0.000 0.259 517 Q C 0.549 176.776 176.000 0.379 0.000 0.872 517 Q CA -0.550 55.319 55.803 0.111 0.000 1.042 517 Q CB 0.525 29.396 28.738 0.222 0.000 1.142 517 Q HN 0.707 nan 8.270 nan 0.000 0.463 518 W N 0.474 121.931 121.300 0.262 0.000 0.764 518 W HA -0.348 4.312 4.660 0.000 0.000 0.224 518 W C -1.372 175.239 176.519 0.153 0.000 1.033 518 W CA 1.668 59.115 57.345 0.170 0.000 0.992 518 W CB -1.132 28.365 29.460 0.062 0.000 1.776 518 W HN 0.344 nan 8.180 nan 0.000 0.507 519 L N 2.351 123.590 121.223 0.026 0.000 2.406 519 L HA 0.500 4.840 4.340 0.000 0.000 0.272 519 L C -1.540 175.315 176.870 -0.025 0.000 0.980 519 L CA -1.816 52.906 54.840 -0.197 0.000 0.831 519 L CB 1.287 43.063 42.059 -0.472 0.000 1.253 519 L HN -0.153 nan 8.230 nan 0.000 0.406 520 P HA 0.008 nan 4.420 nan 0.000 0.271 520 P C -0.722 176.523 177.300 -0.091 0.000 1.233 520 P CA -0.287 62.764 63.100 -0.082 0.000 0.789 520 P CB 0.859 32.528 31.700 -0.051 0.000 0.951 521 D N 0.998 121.344 120.400 -0.090 0.000 2.522 521 D HA 0.124 4.764 4.640 0.000 0.000 0.218 521 D C -0.321 175.915 176.300 -0.106 0.000 1.149 521 D CA -0.136 53.850 54.000 -0.023 0.000 0.981 521 D CB -0.436 40.370 40.800 0.010 0.000 1.041 521 D HN 0.405 nan 8.370 nan 0.000 0.518 522 E N 1.244 121.224 120.200 -0.367 0.000 2.372 522 E HA 0.305 4.655 4.350 0.000 0.000 0.279 522 E C -1.186 175.084 176.600 -0.549 0.000 0.946 522 E CA -1.035 55.182 56.400 -0.306 0.000 0.769 522 E CB 1.239 30.851 29.700 -0.147 0.000 1.230 522 E HN 0.135 nan 8.360 nan 0.000 0.442 523 L N 2.963 124.053 121.223 -0.223 0.000 2.352 523 L HA 0.379 4.719 4.340 0.000 0.000 0.272 523 L C 0.067 176.938 176.870 0.001 0.000 1.109 523 L CA -0.636 54.164 54.840 -0.067 0.000 0.952 523 L CB 0.218 42.327 42.059 0.082 0.000 1.314 523 L HN 0.597 nan 8.230 nan 0.000 0.427 524 R N 3.661 124.180 120.500 0.032 0.000 2.590 524 R HA 0.451 4.792 4.340 0.000 0.000 0.274 524 R C -0.969 175.433 176.300 0.170 0.000 1.061 524 R CA -0.125 56.038 56.100 0.105 0.000 1.081 524 R CB 0.932 31.327 30.300 0.158 0.000 0.984 524 R HN 0.474 nan 8.270 nan 0.000 0.448 525 V N -0.332 119.680 119.914 0.163 0.000 3.114 525 V HA 0.545 4.665 4.120 0.000 0.000 0.308 525 V C -0.885 175.367 176.094 0.263 0.000 1.168 525 V CA -1.054 61.399 62.300 0.256 0.000 1.015 525 V CB 2.072 33.999 31.823 0.173 0.000 1.050 525 V HN 0.892 nan 8.190 nan 0.000 0.433 526 E N 0.683 121.100 120.200 0.360 0.000 2.254 526 E HA 0.489 4.839 4.350 0.000 0.000 0.258 526 E C -0.848 175.864 176.600 0.187 0.000 1.033 526 E CA -1.099 55.424 56.400 0.205 0.000 0.893 526 E CB 1.421 31.204 29.700 0.138 0.000 1.204 526 E HN 0.666 nan 8.360 nan 0.000 0.425 527 K N -0.200 120.249 120.400 0.081 0.000 2.319 527 K HA 0.281 4.602 4.320 0.000 0.000 0.265 527 K C 0.629 177.193 176.600 -0.059 0.000 1.000 527 K CA 0.670 56.982 56.287 0.042 0.000 0.943 527 K CB 0.516 33.024 32.500 0.014 0.000 0.950 527 K HN 0.807 nan 8.250 nan 0.000 0.485 528 G N 1.207 109.949 108.800 -0.097 0.000 2.480 528 G HA2 -0.174 3.786 3.960 0.000 0.000 0.193 528 G HA3 -0.174 3.786 3.960 0.000 0.000 0.193 528 G C -0.358 174.330 174.900 -0.354 0.000 1.004 528 G CA -0.732 44.204 45.100 -0.273 0.000 0.696 528 G HN 0.421 nan 8.290 nan 0.000 0.478 529 F N 2.988 122.943 119.950 0.009 0.000 2.379 529 F HA 0.588 5.115 4.527 0.000 0.000 0.332 529 F C 1.373 177.163 175.800 -0.016 0.000 1.096 529 F CA -0.124 57.869 58.000 -0.011 0.000 1.105 529 F CB 1.538 40.525 39.000 -0.021 0.000 1.189 529 F HN 0.197 nan 8.300 nan 0.000 0.515 530 S N 2.144 117.933 115.700 0.147 0.000 2.560 530 S HA 0.126 4.596 4.470 0.000 0.000 0.284 530 S C -2.016 172.625 174.600 0.068 0.000 1.327 530 S CA -0.989 57.254 58.200 0.073 0.000 1.055 530 S CB 1.033 64.258 63.200 0.042 0.000 0.868 530 S HN 0.405 nan 8.310 nan 0.000 0.506 531 P HA -0.089 nan 4.420 nan 0.000 0.216 531 P C 0.753 178.064 177.300 0.018 0.000 1.150 531 P CA 1.181 64.300 63.100 0.031 0.000 0.837 531 P CB 0.014 31.727 31.700 0.022 0.000 0.786 532 D N -1.069 119.340 120.400 0.015 0.000 2.087 532 D HA -0.132 4.508 4.640 0.000 0.000 0.192 532 D C 1.908 178.205 176.300 -0.004 0.000 0.993 532 D CA 1.603 55.606 54.000 0.004 0.000 0.828 532 D CB -1.307 39.495 40.800 0.003 0.000 0.968 532 D HN 0.119 nan 8.370 nan 0.000 0.448 533 T N 1.461 116.015 114.554 -0.000 0.000 2.699 533 T HA -0.117 4.233 4.350 0.000 0.000 0.268 533 T C 2.191 176.861 174.700 -0.050 0.000 1.036 533 T CA 0.681 62.766 62.100 -0.025 0.000 1.147 533 T CB -0.363 68.499 68.868 -0.011 0.000 0.862 533 T HN 0.126 nan 8.240 nan 0.000 0.446 534 L N 0.190 121.395 121.223 -0.029 0.000 2.141 534 L HA -0.078 4.263 4.340 0.000 0.000 0.209 534 L C 2.641 179.490 176.870 -0.036 0.000 1.094 534 L CA 1.256 56.069 54.840 -0.045 0.000 0.763 534 L CB -0.433 41.621 42.059 -0.008 0.000 0.908 534 L HN 0.237 nan 8.230 nan 0.000 0.437 535 K N 0.196 120.584 120.400 -0.021 0.000 2.025 535 K HA -0.134 4.186 4.320 0.000 0.000 0.207 535 K C 2.102 178.687 176.600 -0.024 0.000 1.049 535 K CA 1.143 57.420 56.287 -0.017 0.000 0.933 535 K CB -0.175 32.319 32.500 -0.010 0.000 0.714 535 K HN 0.212 nan 8.250 nan 0.000 0.438 536 L N 0.983 122.188 121.223 -0.030 0.000 1.989 536 L HA -0.244 4.096 4.340 0.000 0.000 0.211 536 L C 2.411 179.256 176.870 -0.042 0.000 1.071 536 L CA 1.318 56.138 54.840 -0.034 0.000 0.749 536 L CB -0.706 41.330 42.059 -0.038 0.000 0.890 536 L HN 0.188 nan 8.230 nan 0.000 0.431 537 L N -0.312 120.874 121.223 -0.062 0.000 2.051 537 L HA -0.269 4.071 4.340 0.000 0.000 0.214 537 L C 2.565 179.411 176.870 -0.041 0.000 1.076 537 L CA 1.548 56.346 54.840 -0.070 0.000 0.758 537 L CB -0.574 41.417 42.059 -0.114 0.000 0.890 537 L HN 0.331 nan 8.230 nan 0.000 0.433 538 E N -0.237 119.943 120.200 -0.033 0.000 2.150 538 E HA -0.162 4.188 4.350 0.000 0.000 0.193 538 E C 2.243 178.835 176.600 -0.013 0.000 0.985 538 E CA 0.950 57.339 56.400 -0.018 0.000 0.814 538 E CB -0.143 29.548 29.700 -0.015 0.000 0.752 538 E HN 0.508 nan 8.360 nan 0.000 0.466 539 A N 1.284 124.094 122.820 -0.016 0.000 2.066 539 A HA -0.141 4.180 4.320 0.000 0.000 0.218 539 A C 1.774 179.351 177.584 -0.011 0.000 1.157 539 A CA 1.021 53.050 52.037 -0.012 0.000 0.670 539 A CB -0.088 18.904 19.000 -0.013 0.000 0.804 539 A HN 0.024 nan 8.150 nan 0.000 0.453 540 K N -1.777 118.614 120.400 -0.015 0.000 2.400 540 K HA 0.218 4.538 4.320 0.000 0.000 0.194 540 K C 1.137 177.733 176.600 -0.005 0.000 1.033 540 K CA 0.560 56.840 56.287 -0.013 0.000 1.021 540 K CB 0.151 32.638 32.500 -0.021 0.000 0.808 540 K HN 0.589 nan 8.250 nan 0.000 0.505 541 G N 0.484 109.283 108.800 -0.001 0.000 2.255 541 G HA2 -0.174 3.786 3.960 0.000 0.000 0.196 541 G HA3 -0.174 3.786 3.960 0.000 0.000 0.196 541 G C -0.223 174.689 174.900 0.020 0.000 0.998 541 G CA -0.596 44.509 45.100 0.009 0.000 0.656 541 G HN 0.077 nan 8.290 nan 0.000 0.490 542 Q N 0.941 120.752 119.800 0.018 0.000 2.337 542 Q HA 0.289 4.629 4.340 0.000 0.000 0.270 542 Q C 0.217 176.231 176.000 0.023 0.000 1.002 542 Q CA 0.367 56.193 55.803 0.039 0.000 0.888 542 Q CB 0.742 29.493 28.738 0.022 0.000 1.222 542 Q HN 0.416 nan 8.270 nan 0.000 0.400 543 K N 2.263 122.682 120.400 0.032 0.000 2.265 543 K HA 0.212 4.533 4.320 0.000 0.000 0.242 543 K C -0.368 176.227 176.600 -0.008 0.000 1.137 543 K CA -0.298 55.993 56.287 0.007 0.000 1.082 543 K CB 0.271 32.773 32.500 0.003 0.000 1.731 543 K HN 0.316 nan 8.250 nan 0.000 0.392 544 V N 1.767 121.675 119.914 -0.009 0.000 2.720 544 V HA 0.004 4.125 4.120 0.000 0.000 0.307 544 V C 0.484 176.577 176.094 -0.002 0.000 1.071 544 V CA 0.235 62.527 62.300 -0.013 0.000 1.199 544 V CB 0.744 32.553 31.823 -0.023 0.000 0.900 544 V HN 0.700 nan 8.190 nan 0.000 0.494 545 A N 6.271 129.096 122.820 0.008 0.000 2.476 545 A HA 0.537 4.857 4.320 0.000 0.000 0.280 545 A C -0.862 176.748 177.584 0.043 0.000 1.081 545 A CA -0.538 51.510 52.037 0.019 0.000 0.753 545 A CB 1.027 20.032 19.000 0.007 0.000 1.248 545 A HN 0.690 nan 8.150 nan 0.000 0.424 546 L N 3.226 124.478 121.223 0.049 0.000 2.418 546 L HA 0.373 4.714 4.340 0.000 0.000 0.274 546 L C -0.557 176.348 176.870 0.058 0.000 1.135 546 L CA 0.938 55.819 54.840 0.068 0.000 0.870 546 L CB 0.144 42.240 42.059 0.062 0.000 1.154 546 L HN 0.671 nan 8.230 nan 0.000 0.462 547 K N 3.509 123.951 120.400 0.070 0.000 2.261 547 K HA 0.358 4.678 4.320 0.000 0.000 0.242 547 K C -0.472 176.160 176.600 0.054 0.000 1.083 547 K CA -0.775 55.545 56.287 0.055 0.000 0.880 547 K CB 1.087 33.620 32.500 0.055 0.000 1.353 547 K HN 0.658 nan 8.250 nan 0.000 0.486 548 E N 0.359 120.583 120.200 0.040 0.000 2.425 548 E HA 0.354 4.704 4.350 0.000 0.000 0.258 548 E C 0.036 176.656 176.600 0.034 0.000 1.151 548 E CA -0.536 55.883 56.400 0.032 0.000 0.958 548 E CB 0.399 30.113 29.700 0.023 0.000 0.968 548 E HN 0.502 nan 8.360 nan 0.000 0.451 552 S N 0.116 115.808 115.700 -0.013 0.000 2.488 552 S HA 0.481 4.952 4.470 0.000 0.000 0.151 552 S C 0.177 174.789 174.600 0.020 0.000 1.401 552 S CA 0.308 58.513 58.200 0.009 0.000 1.221 552 S CB -0.440 62.773 63.200 0.022 0.000 1.407 552 S HN 1.548 nan 8.310 nan 0.000 0.406 553 T N 1.975 116.528 114.554 -0.001 0.000 2.919 553 T HA 0.502 4.852 4.350 0.000 0.000 0.302 553 T C -0.464 174.260 174.700 0.039 0.000 1.031 553 T CA -0.362 61.731 62.100 -0.011 0.000 1.127 553 T CB 0.882 69.727 68.868 -0.039 0.000 0.952 553 T HN 0.413 nan 8.240 nan 0.000 0.540 554 Q N 2.293 122.148 119.800 0.092 0.000 2.414 554 Q HA 0.442 4.782 4.340 0.000 0.000 0.256 554 Q C -1.068 175.004 176.000 0.121 0.000 0.974 554 Q CA -0.434 55.446 55.803 0.127 0.000 0.723 554 Q CB 2.028 30.885 28.738 0.198 0.000 1.281 554 Q HN 0.835 nan 8.270 nan 0.000 0.470 555 S N 1.965 117.694 115.700 0.048 0.000 2.638 555 S HA 0.818 5.288 4.470 0.000 0.000 0.302 555 S C 0.091 174.690 174.600 -0.000 0.000 1.096 555 S CA -0.562 57.645 58.200 0.012 0.000 0.953 555 S CB 1.825 64.999 63.200 -0.043 0.000 1.107 555 S HN 0.459 nan 8.310 nan 0.000 0.503 559 G N 4.170 113.139 108.800 0.282 0.000 2.507 559 G HA2 0.571 4.531 3.960 0.000 0.000 0.271 559 G HA3 0.571 4.531 3.960 0.000 0.000 0.271 559 G C -0.770 174.246 174.900 0.194 0.000 1.189 559 G CA -0.799 44.487 45.100 0.309 0.000 0.859 559 G HN 0.547 nan 8.290 nan 0.000 0.542 560 P HA -0.110 nan 4.420 nan 0.000 0.216 560 P C 0.697 178.041 177.300 0.072 0.000 1.150 560 P CA 1.107 64.269 63.100 0.104 0.000 0.837 560 P CB 0.289 32.036 31.700 0.079 0.000 0.786 561 D N -0.650 119.794 120.400 0.074 0.000 2.310 561 D HA -0.019 4.621 4.640 0.000 0.000 0.212 561 D C 1.630 177.941 176.300 0.019 0.000 0.965 561 D CA 1.599 55.625 54.000 0.042 0.000 0.879 561 D CB -0.295 40.532 40.800 0.045 0.000 0.921 561 D HN 0.345 nan 8.370 nan 0.000 0.510 562 G N 1.353 110.168 108.800 0.025 0.000 2.179 562 G HA2 -0.247 3.713 3.960 0.000 0.000 0.220 562 G HA3 -0.247 3.713 3.960 0.000 0.000 0.220 562 G C 0.153 175.014 174.900 -0.064 0.000 0.990 562 G CA -0.006 45.087 45.100 -0.012 0.000 0.646 562 G HN 0.294 nan 8.290 nan 0.000 0.517 563 E N 0.748 120.905 120.200 -0.071 0.000 2.360 563 E HA 0.541 4.891 4.350 0.000 0.000 0.269 563 E C 0.569 176.947 176.600 -0.371 0.000 1.022 563 E CA -0.169 56.089 56.400 -0.236 0.000 0.887 563 E CB 0.264 29.828 29.700 -0.227 0.000 0.990 563 E HN 0.375 nan 8.360 nan 0.000 0.426 564 L N 5.146 126.087 121.223 -0.471 0.000 2.307 564 L HA 0.410 4.750 4.340 0.000 0.000 0.284 564 L C -0.883 175.650 176.870 -0.561 0.000 1.023 564 L CA -0.964 53.653 54.840 -0.373 0.000 0.810 564 L CB 0.783 42.722 42.059 -0.199 0.000 1.231 564 L HN 0.598 nan 8.230 nan 0.000 0.423 565 Y N 1.028 121.296 120.300 -0.053 0.000 2.331 565 Y HA 0.672 5.222 4.550 0.000 0.000 0.334 565 Y C 0.572 176.436 175.900 -0.060 0.000 0.960 565 Y CA -0.718 57.351 58.100 -0.051 0.000 1.130 565 Y CB 2.174 40.599 38.460 -0.059 0.000 1.164 565 Y HN 0.584 nan 8.280 nan 0.000 0.458 566 G N 0.932 109.778 108.800 0.076 0.000 2.569 566 G HA2 0.847 4.807 3.960 0.000 0.000 0.300 566 G HA3 0.847 4.807 3.960 0.000 0.000 0.300 566 G C -1.656 173.265 174.900 0.035 0.000 1.269 566 G CA -1.098 44.025 45.100 0.038 0.000 0.959 566 G HN 0.809 nan 8.290 nan 0.000 0.478 567 A N 0.094 122.927 122.820 0.022 0.000 2.513 567 A HA 0.746 5.066 4.320 0.000 0.000 0.296 567 A C -0.473 177.123 177.584 0.021 0.000 1.052 567 A CA -0.444 51.604 52.037 0.018 0.000 0.714 567 A CB 1.490 20.495 19.000 0.008 0.000 1.279 567 A HN 0.864 nan 8.150 nan 0.000 0.397 568 S N 1.124 116.837 115.700 0.022 0.000 2.525 568 S HA 0.407 4.877 4.470 0.000 0.000 0.290 568 S C -0.401 174.210 174.600 0.019 0.000 1.152 568 S CA -0.425 57.791 58.200 0.027 0.000 1.072 568 S CB 1.126 64.341 63.200 0.026 0.000 1.027 568 S HN 0.756 nan 8.310 nan 0.000 0.500 569 D N 2.998 123.409 120.400 0.020 0.000 2.458 569 D HA 0.075 4.715 4.640 0.000 0.000 0.243 569 D C -1.300 175.006 176.300 0.009 0.000 1.146 569 D CA -1.441 52.566 54.000 0.011 0.000 0.877 569 D CB 1.199 42.006 40.800 0.011 0.000 1.176 569 D HN 0.188 nan 8.370 nan 0.000 0.461 570 P HA -0.056 nan 4.420 nan 0.000 0.229 570 P C 0.870 178.171 177.300 0.003 0.000 1.160 570 P CA 0.562 63.663 63.100 0.003 0.000 0.777 570 P CB 0.371 32.070 31.700 -0.002 0.000 0.814 571 R N -0.152 120.350 120.500 0.002 0.000 2.237 571 R HA 0.085 4.425 4.340 0.000 0.000 0.219 571 R C 0.585 176.887 176.300 0.004 0.000 1.080 571 R CA 0.599 56.700 56.100 0.002 0.000 0.995 571 R CB -0.215 30.085 30.300 0.001 0.000 0.875 571 R HN 0.105 nan 8.270 nan 0.000 0.462 572 S N 1.277 116.981 115.700 0.007 0.000 2.520 572 S HA 0.221 4.691 4.470 0.000 0.000 0.324 572 S C -0.046 174.559 174.600 0.008 0.000 1.069 572 S CA -0.866 57.338 58.200 0.007 0.000 1.121 572 S CB 1.634 64.842 63.200 0.012 0.000 0.971 572 S HN 0.142 nan 8.310 nan 0.000 0.463 573 V N 0.813 120.731 119.914 0.007 0.000 2.843 573 V HA 0.309 4.430 4.120 0.000 0.000 0.305 573 V C 0.378 176.477 176.094 0.009 0.000 1.065 573 V CA -0.167 62.138 62.300 0.008 0.000 1.116 573 V CB 0.035 31.863 31.823 0.008 0.000 0.968 573 V HN 0.920 nan 8.190 nan 0.000 0.487 574 D N 0.126 120.531 120.400 0.008 0.000 3.077 574 D HA -0.154 4.486 4.640 0.000 0.000 0.212 574 D C 0.149 176.454 176.300 0.008 0.000 1.125 574 D CA 1.597 55.602 54.000 0.008 0.000 0.970 574 D CB -1.120 39.685 40.800 0.008 0.000 1.110 574 D HN 1.130 nan 8.370 nan 0.000 0.419 575 D N 0.580 120.987 120.400 0.011 0.000 2.411 575 D HA 0.587 5.228 4.640 0.000 0.000 0.251 575 D C 0.306 176.614 176.300 0.013 0.000 1.201 575 D CA -0.589 53.420 54.000 0.015 0.000 0.996 575 D CB 1.228 42.041 40.800 0.023 0.000 1.101 575 D HN 0.188 nan 8.370 nan 0.000 0.504 576 L N -1.684 119.548 121.223 0.016 0.000 2.591 576 L HA 0.472 4.813 4.340 0.000 0.000 0.257 576 L C -1.568 175.312 176.870 0.018 0.000 0.935 576 L CA -0.047 54.801 54.840 0.013 0.000 0.873 576 L CB 2.310 44.372 42.059 0.006 0.000 1.397 576 L HN 0.546 nan 8.230 nan 0.000 0.414 577 T N 3.409 117.974 114.554 0.019 0.000 2.812 577 T HA 0.962 5.312 4.350 0.000 0.000 0.282 577 T C -0.723 173.988 174.700 0.019 0.000 0.990 577 T CA 0.049 62.163 62.100 0.023 0.000 0.960 577 T CB 1.457 70.340 68.868 0.026 0.000 0.948 577 T HN 0.922 nan 8.240 nan 0.000 0.438 578 A N 2.186 125.019 122.820 0.022 0.000 2.594 578 A HA 1.047 5.368 4.320 0.000 0.000 0.291 578 A C -0.201 177.410 177.584 0.045 0.000 1.105 578 A CA -0.447 51.605 52.037 0.026 0.000 0.694 578 A CB 1.781 20.794 19.000 0.022 0.000 1.291 578 A HN 1.103 nan 8.150 nan 0.000 0.410 579 G N -1.463 107.376 108.800 0.065 0.000 2.731 579 G HA2 0.764 4.725 3.960 0.000 0.000 0.309 579 G HA3 0.764 4.725 3.960 0.000 0.000 0.309 579 G C -1.175 173.852 174.900 0.212 0.000 1.273 579 G CA 0.291 45.467 45.100 0.127 0.000 0.798 579 G HN 2.067 nan 8.290 nan 0.000 0.509 580 Y N 0.000 120.279 120.300 -0.035 0.000 2.660 580 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 580 Y CA 0.000 58.081 58.100 -0.031 0.000 1.940 580 Y CB 0.000 38.445 38.460 -0.025 0.000 1.050 580 Y HN 0.000 nan 8.280 nan 0.000 0.758