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 1lqf_1_C DATA FIRST_RESID 497 DATA SEQUENCE KLEFMEMEKE FEQIDKSGSW AAIYQDIRHE ASDFPCRVAK LPKNKNRNRY DATA SEQUENCE RDVSPFDHSR IKLHQEDNDY INASLIKMEE AQRSYILTQG PLPNTCGHFW DATA SEQUENCE EMVWEQKSRG VVMLNRVMEK GSLKCAQYWP QKEEKEMIFE DTNLKLTLIS DATA SEQUENCE EDIKSYYTVR QLELENLTTQ ETREILHFHY TTWPDFGVPE SPASFLNFLF DATA SEQUENCE KVRESGSLSP EHGPVVVHCS AGIGRSGTFC LADTCLLLMD KRKDPSSVDI DATA SEQUENCE KKVLLEMRKF RMGLIQTADQ LRFSYLAVIE GAKFIMG 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 497 K HA 0.000 nan 4.320 nan 0.000 0.191 497 K C 0.000 176.584 176.600 -0.026 0.000 0.988 497 K CA 0.000 56.274 56.287 -0.022 0.000 0.838 497 K CB 0.000 32.487 32.500 -0.021 0.000 1.064 498 L N -1.397 119.813 121.223 -0.021 0.000 2.953 498 L HA 0.723 5.064 4.340 0.002 0.000 0.258 498 L C 1.877 178.736 176.870 -0.019 0.000 1.100 498 L CA 1.809 56.637 54.840 -0.021 0.000 0.971 498 L CB -0.557 41.493 42.059 -0.015 0.000 1.474 498 L HN 1.512 nan 8.230 nan 0.000 0.540 499 E N -0.527 119.664 120.200 -0.014 0.000 2.403 499 E HA 0.384 4.736 4.350 0.002 0.000 0.188 499 E C 1.759 178.353 176.600 -0.011 0.000 1.056 499 E CA 0.642 57.036 56.400 -0.010 0.000 0.892 499 E CB -1.846 27.850 29.700 -0.006 0.000 1.049 499 E HN 1.677 nan 8.360 nan 0.000 0.465 500 F N -0.512 119.426 119.950 -0.020 0.000 2.411 500 F HA 0.085 4.614 4.527 0.002 0.000 0.299 500 F C 2.721 178.512 175.800 -0.015 0.000 1.077 500 F CA 2.176 60.162 58.000 -0.023 0.000 1.439 500 F CB -1.437 37.536 39.000 -0.045 0.000 1.085 500 F HN 0.623 nan 8.300 nan 0.000 0.564 501 M N 0.921 120.515 119.600 -0.010 0.000 2.776 501 M HA 0.226 4.707 4.480 0.002 0.000 0.233 501 M C 1.609 177.919 176.300 0.016 0.000 1.078 501 M CA 1.792 57.093 55.300 0.001 0.000 1.058 501 M CB -2.174 30.426 32.600 0.000 0.000 1.611 501 M HN 0.781 nan 8.290 nan 0.000 0.541 502 E N 0.684 120.893 120.200 0.016 0.000 2.046 502 E HA -0.199 4.153 4.350 0.002 0.000 0.190 502 E C 1.841 178.467 176.600 0.043 0.000 0.982 502 E CA 2.098 58.512 56.400 0.023 0.000 0.800 502 E CB -0.548 29.163 29.700 0.018 0.000 0.756 502 E HN 0.819 nan 8.360 nan 0.000 0.449 503 M N -0.180 119.453 119.600 0.055 0.000 2.357 503 M HA 0.182 4.664 4.480 0.002 0.000 0.266 503 M C 1.702 178.085 176.300 0.139 0.000 1.095 503 M CA 1.333 56.692 55.300 0.098 0.000 1.156 503 M CB -0.479 32.182 32.600 0.102 0.000 1.365 503 M HN -0.005 nan 8.290 nan 0.000 0.447 504 E N 2.084 122.340 120.200 0.093 0.000 2.171 504 E HA -0.224 4.127 4.350 0.002 0.000 0.197 504 E C 2.085 178.782 176.600 0.160 0.000 0.997 504 E CA 1.685 58.154 56.400 0.115 0.000 0.810 504 E CB -0.376 29.351 29.700 0.045 0.000 0.738 504 E HN 0.611 nan 8.360 nan 0.000 0.467 505 K N 1.522 121.979 120.400 0.095 0.000 1.973 505 K HA -0.244 4.077 4.320 0.002 0.000 0.210 505 K C 2.222 178.856 176.600 0.057 0.000 1.045 505 K CA 1.642 57.967 56.287 0.062 0.000 0.937 505 K CB -0.092 32.428 32.500 0.034 0.000 0.721 505 K HN 0.031 nan 8.250 nan 0.000 0.438 506 E N -0.215 120.024 120.200 0.065 0.000 2.065 506 E HA -0.257 4.094 4.350 0.002 0.000 0.201 506 E C 1.960 178.572 176.600 0.020 0.000 1.016 506 E CA 1.772 58.195 56.400 0.039 0.000 0.818 506 E CB -0.302 29.447 29.700 0.082 0.000 0.749 506 E HN 0.433 nan 8.360 nan 0.000 0.453 507 F N 1.470 121.418 119.950 -0.004 0.000 2.161 507 F HA -0.193 4.335 4.527 0.002 0.000 0.300 507 F C 2.237 178.006 175.800 -0.052 0.000 1.089 507 F CA 1.754 59.757 58.000 0.006 0.000 1.282 507 F CB -0.018 39.060 39.000 0.129 0.000 1.010 507 F HN 0.034 nan 8.300 nan 0.000 0.485 508 E N 0.305 120.550 120.200 0.076 0.000 2.106 508 E HA -0.173 4.178 4.350 0.002 0.000 0.192 508 E C 2.153 178.643 176.600 -0.184 0.000 0.984 508 E CA 1.131 57.515 56.400 -0.028 0.000 0.806 508 E CB -0.369 29.373 29.700 0.070 0.000 0.750 508 E HN 0.434 nan 8.360 nan 0.000 0.458 509 Q N 0.064 119.760 119.800 -0.174 0.000 2.077 509 Q HA -0.159 4.183 4.340 0.002 0.000 0.206 509 Q C 2.473 178.265 176.000 -0.346 0.000 0.989 509 Q CA 1.468 57.148 55.803 -0.206 0.000 0.853 509 Q CB -0.460 28.179 28.738 -0.166 0.000 0.907 509 Q HN 0.441 nan 8.270 nan 0.000 0.418 510 I N 0.595 120.838 120.570 -0.545 0.000 2.315 510 I HA -0.233 3.938 4.170 0.002 0.000 0.248 510 I C 1.911 177.453 176.117 -0.959 0.000 1.117 510 I CA 1.103 61.865 61.300 -0.898 0.000 1.404 510 I CB -0.301 36.823 38.000 -1.459 0.000 1.071 510 I HN 0.066 nan 8.210 nan 0.000 0.419 511 D N 1.250 121.187 120.400 -0.772 0.000 2.084 511 D HA -0.135 4.507 4.640 0.002 0.000 0.196 511 D C 2.230 178.396 176.300 -0.223 0.000 0.985 511 D CA 1.313 55.059 54.000 -0.423 0.000 0.826 511 D CB 0.050 40.662 40.800 -0.314 0.000 0.978 511 D HN 0.145 nan 8.370 nan 0.000 0.456 512 K N -0.030 120.257 120.400 -0.189 0.000 2.032 512 K HA -0.081 4.240 4.320 0.002 0.000 0.209 512 K C 1.836 178.362 176.600 -0.123 0.000 1.048 512 K CA 1.488 57.708 56.287 -0.112 0.000 0.927 512 K CB -0.226 32.221 32.500 -0.089 0.000 0.712 512 K HN 0.143 nan 8.250 nan 0.000 0.441 513 S N 0.238 115.832 115.700 -0.178 0.000 2.754 513 S HA 0.105 4.576 4.470 0.002 0.000 0.223 513 S C 1.052 175.546 174.600 -0.177 0.000 0.951 513 S CA 0.090 58.195 58.200 -0.159 0.000 0.954 513 S CB -0.137 62.964 63.200 -0.166 0.000 0.780 513 S HN 0.403 nan 8.310 nan 0.000 0.509 514 G N 1.460 110.146 108.800 -0.191 0.000 2.410 514 G HA2 -0.270 3.692 3.960 0.002 0.000 0.286 514 G HA3 -0.270 3.692 3.960 0.002 0.000 0.286 514 G C 0.515 175.320 174.900 -0.159 0.000 0.884 514 G CA 0.562 45.580 45.100 -0.137 0.000 1.130 514 G HN 0.621 nan 8.290 nan 0.000 0.492 515 S N -1.464 114.035 115.700 -0.335 0.000 2.631 515 S HA 0.097 4.569 4.470 0.002 0.000 0.217 515 S C 1.738 176.231 174.600 -0.179 0.000 0.958 515 S CA 0.436 58.484 58.200 -0.253 0.000 0.920 515 S CB -0.110 62.904 63.200 -0.310 0.000 0.776 515 S HN 0.697 nan 8.310 nan 0.000 0.517 516 W N 2.349 123.585 121.300 -0.106 0.000 2.311 516 W HA -0.264 4.397 4.660 0.002 0.000 0.326 516 W C 2.752 179.280 176.519 0.016 0.000 1.239 516 W CA 0.933 58.228 57.345 -0.084 0.000 1.258 516 W CB -0.566 28.834 29.460 -0.100 0.000 1.165 516 W HN 0.309 nan 8.180 nan 0.000 0.466 517 A N 0.484 123.478 122.820 0.291 0.000 1.948 517 A HA -0.188 4.133 4.320 0.002 0.000 0.220 517 A C 1.961 179.672 177.584 0.211 0.000 1.177 517 A CA 2.574 54.755 52.037 0.240 0.000 0.636 517 A CB -1.323 17.774 19.000 0.162 0.000 0.815 517 A HN 0.292 nan 8.150 nan 0.000 0.449 518 A N 0.115 123.012 122.820 0.129 0.000 1.845 518 A HA -0.090 4.231 4.320 0.002 0.000 0.215 518 A C 2.115 179.760 177.584 0.102 0.000 1.195 518 A CA 1.535 53.619 52.037 0.078 0.000 0.616 518 A CB -0.700 18.308 19.000 0.015 0.000 0.832 518 A HN 0.498 nan 8.150 nan 0.000 0.443 519 I N -1.878 118.761 120.570 0.114 0.000 2.151 519 I HA -0.315 3.856 4.170 0.002 0.000 0.243 519 I C 2.507 178.761 176.117 0.228 0.000 1.080 519 I CA 2.063 63.449 61.300 0.143 0.000 1.339 519 I CB -0.562 37.523 38.000 0.142 0.000 1.039 519 I HN 0.521 nan 8.210 nan 0.000 0.409 520 Y N 1.849 122.245 120.300 0.160 0.000 2.165 520 Y HA -0.341 4.211 4.550 0.002 0.000 0.286 520 Y C 2.611 178.589 175.900 0.129 0.000 1.155 520 Y CA 1.810 60.005 58.100 0.158 0.000 1.164 520 Y CB -0.491 38.062 38.460 0.154 0.000 0.978 520 Y HN 0.158 nan 8.280 nan 0.000 0.513 521 Q N 0.667 120.503 119.800 0.060 0.000 2.061 521 Q HA -0.188 4.153 4.340 0.002 0.000 0.204 521 Q C 1.936 177.936 176.000 0.001 0.000 0.984 521 Q CA 2.117 57.910 55.803 -0.016 0.000 0.846 521 Q CB -0.457 28.314 28.738 0.055 0.000 0.902 521 Q HN 0.595 nan 8.270 nan 0.000 0.421 522 D N -0.193 120.224 120.400 0.029 0.000 2.087 522 D HA -0.183 4.459 4.640 0.002 0.000 0.192 522 D C 1.945 178.275 176.300 0.049 0.000 0.993 522 D CA 1.158 55.179 54.000 0.035 0.000 0.828 522 D CB -0.459 40.361 40.800 0.034 0.000 0.968 522 D HN 0.195 nan 8.370 nan 0.000 0.448 523 I N 1.148 121.745 120.570 0.044 0.000 2.087 523 I HA -0.281 3.891 4.170 0.002 0.000 0.240 523 I C 2.617 178.729 176.117 -0.009 0.000 1.054 523 I CA 1.241 62.568 61.300 0.045 0.000 1.311 523 I CB -0.422 37.632 38.000 0.091 0.000 1.024 523 I HN -0.052 nan 8.210 nan 0.000 0.402 524 R N -0.402 120.018 120.500 -0.133 0.000 2.117 524 R HA -0.244 4.097 4.340 0.002 0.000 0.243 524 R C 2.396 178.652 176.300 -0.073 0.000 1.143 524 R CA 1.840 57.833 56.100 -0.179 0.000 0.968 524 R CB -0.586 29.470 30.300 -0.407 0.000 0.863 524 R HN 0.540 nan 8.270 nan 0.000 0.444 525 H N 0.189 119.205 119.070 -0.090 0.000 2.415 525 H HA 0.026 4.583 4.556 0.002 0.000 0.297 525 H C 1.427 176.729 175.328 -0.044 0.000 1.048 525 H CA 1.128 57.142 56.048 -0.057 0.000 1.365 525 H CB 0.356 30.090 29.762 -0.047 0.000 1.421 525 H HN 0.358 nan 8.280 nan 0.000 0.533 526 E N 0.604 120.868 120.200 0.107 0.000 2.274 526 E HA 0.047 4.398 4.350 0.002 0.000 0.194 526 E C 0.876 177.485 176.600 0.015 0.000 0.996 526 E CA 0.118 56.551 56.400 0.056 0.000 0.840 526 E CB 0.152 29.881 29.700 0.050 0.000 0.772 526 E HN 0.311 nan 8.360 nan 0.000 0.491 527 A N 1.540 124.367 122.820 0.011 0.000 2.587 527 A HA -0.005 4.317 4.320 0.002 0.000 0.233 527 A C 0.461 178.017 177.584 -0.047 0.000 1.049 527 A CA 0.171 52.216 52.037 0.013 0.000 0.754 527 A CB 0.272 19.292 19.000 0.033 0.000 0.977 527 A HN 0.050 nan 8.150 nan 0.000 0.509 528 S N 0.286 115.949 115.700 -0.062 0.000 2.584 528 S HA 0.346 4.818 4.470 0.002 0.000 0.270 528 S C -0.096 174.290 174.600 -0.356 0.000 1.346 528 S CA 0.125 58.146 58.200 -0.299 0.000 1.018 528 S CB 0.627 63.633 63.200 -0.324 0.000 0.899 528 S HN 0.756 nan 8.310 nan 0.000 0.542 529 D N 0.692 120.673 120.400 -0.698 0.000 2.336 529 D HA 0.422 5.064 4.640 0.002 0.000 0.248 529 D C -1.329 174.532 176.300 -0.732 0.000 1.326 529 D CA -0.333 53.375 54.000 -0.488 0.000 0.973 529 D CB 0.088 40.749 40.800 -0.231 0.000 1.255 529 D HN 0.220 nan 8.370 nan 0.000 0.558 530 F N 2.544 122.139 119.950 -0.591 0.000 2.509 530 F HA 0.640 5.169 4.527 0.003 0.000 0.334 530 F C -1.530 174.149 175.800 -0.202 0.000 1.060 530 F CA -1.828 55.866 58.000 -0.509 0.000 0.997 530 F CB 0.976 39.517 39.000 -0.765 0.000 1.271 530 F HN 0.091 nan 8.300 nan 0.000 0.488 531 P HA 0.187 nan 4.420 nan 0.000 0.282 531 P C -1.027 176.446 177.300 0.287 0.000 1.249 531 P CA -0.383 62.830 63.100 0.189 0.000 0.806 531 P CB 1.169 32.940 31.700 0.119 0.000 0.984 532 C N 3.372 122.823 119.300 0.251 0.000 2.808 532 C HA 0.275 4.736 4.460 0.002 0.000 0.261 532 C C 2.014 177.078 174.990 0.123 0.000 1.574 532 C CA -0.616 58.540 59.018 0.230 0.000 1.611 532 C CB -0.936 26.943 27.740 0.231 0.000 2.726 532 C HN 0.596 nan 8.230 nan 0.000 0.528 533 R N 1.015 121.575 120.500 0.100 0.000 2.088 533 R HA -0.101 4.240 4.340 0.002 0.000 0.232 533 R C 2.044 178.345 176.300 0.002 0.000 1.136 533 R CA 1.354 57.483 56.100 0.048 0.000 0.926 533 R CB -0.933 29.395 30.300 0.046 0.000 0.837 533 R HN 0.480 nan 8.270 nan 0.000 0.429 534 V N 1.835 121.755 119.914 0.009 0.000 2.313 534 V HA -0.312 3.809 4.120 0.002 0.000 0.253 534 V C 2.648 178.583 176.094 -0.265 0.000 1.070 534 V CA 2.123 64.387 62.300 -0.059 0.000 1.057 534 V CB -1.104 30.746 31.823 0.045 0.000 0.653 534 V HN 0.440 nan 8.190 nan 0.000 0.450 535 A N -0.787 121.914 122.820 -0.198 0.000 1.978 535 A HA -0.209 4.113 4.320 0.002 0.000 0.220 535 A C 2.154 179.561 177.584 -0.294 0.000 1.170 535 A CA 1.697 53.511 52.037 -0.372 0.000 0.636 535 A CB -0.337 18.683 19.000 0.034 0.000 0.810 535 A HN 0.448 nan 8.150 nan 0.000 0.448 536 K N -0.746 119.567 120.400 -0.145 0.000 2.426 536 K HA 0.194 4.516 4.320 0.002 0.000 0.193 536 K C -0.067 176.478 176.600 -0.093 0.000 1.028 536 K CA -0.195 56.039 56.287 -0.087 0.000 1.047 536 K CB -0.380 32.105 32.500 -0.026 0.000 0.821 536 K HN 0.321 nan 8.250 nan 0.000 0.513 537 L N 1.558 122.703 121.223 -0.130 0.000 2.499 537 L HA 0.005 4.346 4.340 0.002 0.000 0.281 537 L C -1.253 175.565 176.870 -0.086 0.000 1.234 537 L CA -1.039 53.744 54.840 -0.095 0.000 0.839 537 L CB -0.279 41.718 42.059 -0.103 0.000 1.104 537 L HN -0.065 nan 8.230 nan 0.000 0.500 538 P HA -0.171 nan 4.420 nan 0.000 0.215 538 P C 1.065 178.346 177.300 -0.031 0.000 1.153 538 P CA 1.490 64.570 63.100 -0.033 0.000 0.853 538 P CB 0.081 31.770 31.700 -0.018 0.000 0.788 539 K N -1.180 119.200 120.400 -0.033 0.000 2.280 539 K HA -0.044 4.277 4.320 0.002 0.000 0.202 539 K C 0.899 177.488 176.600 -0.018 0.000 1.047 539 K CA 1.189 57.466 56.287 -0.016 0.000 0.942 539 K CB -0.639 31.856 32.500 -0.009 0.000 0.739 539 K HN 0.117 nan 8.250 nan 0.000 0.457 540 N N 1.181 119.832 118.700 -0.081 0.000 2.235 540 N HA 0.037 4.778 4.740 0.002 0.000 0.209 540 N C 0.819 176.287 175.510 -0.070 0.000 1.122 540 N CA 0.146 53.128 53.050 -0.114 0.000 0.845 540 N CB 0.698 38.898 38.487 -0.477 0.000 1.004 540 N HN 0.283 nan 8.380 nan 0.000 0.499 541 K N 1.666 122.042 120.400 -0.040 0.000 2.063 541 K HA -0.090 4.232 4.320 0.002 0.000 0.208 541 K C 1.107 177.715 176.600 0.014 0.000 1.048 541 K CA 1.299 57.577 56.287 -0.017 0.000 0.928 541 K CB -0.006 32.487 32.500 -0.011 0.000 0.713 541 K HN 0.413 nan 8.250 nan 0.000 0.442 542 N N -0.690 118.027 118.700 0.029 0.000 2.362 542 N HA -0.012 4.729 4.740 0.002 0.000 0.204 542 N C 0.893 176.442 175.510 0.064 0.000 1.166 542 N CA -0.193 52.878 53.050 0.035 0.000 0.831 542 N CB 0.325 38.830 38.487 0.030 0.000 1.008 542 N HN 0.062 nan 8.380 nan 0.000 0.472 543 R N -0.305 120.263 120.500 0.113 0.000 2.335 543 R HA 0.176 4.517 4.340 0.002 0.000 0.210 543 R C -0.355 176.044 176.300 0.166 0.000 0.892 543 R CA -0.130 56.081 56.100 0.185 0.000 1.048 543 R CB 0.225 30.741 30.300 0.359 0.000 1.067 543 R HN 0.269 nan 8.270 nan 0.000 0.524 544 N N 1.562 120.336 118.700 0.124 0.000 2.426 544 N HA 0.083 4.825 4.740 0.002 0.000 0.275 544 N C 0.422 175.922 175.510 -0.018 0.000 1.019 544 N CA -0.041 53.063 53.050 0.090 0.000 0.941 544 N CB 2.181 40.730 38.487 0.103 0.000 1.123 544 N HN 0.087 nan 8.380 nan 0.000 0.486 545 R N 2.548 122.995 120.500 -0.088 0.000 2.062 545 R HA -0.040 4.302 4.340 0.002 0.000 0.231 545 R C -0.222 175.807 176.300 -0.451 0.000 1.136 545 R CA 1.391 57.300 56.100 -0.319 0.000 0.948 545 R CB 0.146 30.203 30.300 -0.405 0.000 0.845 545 R HN 0.535 nan 8.270 nan 0.000 0.430 546 Y N -0.626 119.692 120.300 0.029 0.000 2.429 546 Y HA 0.373 4.925 4.550 0.002 0.000 0.342 546 Y C 0.937 176.860 175.900 0.038 0.000 1.004 546 Y CA -1.060 57.061 58.100 0.035 0.000 1.075 546 Y CB 1.736 40.218 38.460 0.038 0.000 1.214 546 Y HN -0.148 nan 8.280 nan 0.000 0.455 547 R N 0.709 121.322 120.500 0.188 0.000 2.148 547 R HA -0.110 4.231 4.340 0.002 0.000 0.223 547 R C 0.704 177.072 176.300 0.114 0.000 1.088 547 R CA 1.577 57.748 56.100 0.118 0.000 0.985 547 R CB 0.009 30.363 30.300 0.089 0.000 0.880 547 R HN 0.806 nan 8.270 nan 0.000 0.451 548 D N 0.073 120.553 120.400 0.132 0.000 2.305 548 D HA -0.030 4.611 4.640 0.002 0.000 0.206 548 D C 0.422 176.772 176.300 0.083 0.000 0.974 548 D CA 0.308 54.363 54.000 0.092 0.000 0.871 548 D CB 0.153 40.995 40.800 0.070 0.000 0.947 548 D HN -0.065 nan 8.370 nan 0.000 0.516 549 V N 1.250 121.231 119.914 0.112 0.000 2.364 549 V HA 0.373 4.494 4.120 0.002 0.000 0.272 549 V C -0.035 176.106 176.094 0.078 0.000 1.036 549 V CA -0.314 62.034 62.300 0.079 0.000 0.880 549 V CB 1.125 33.014 31.823 0.111 0.000 0.991 549 V HN 0.057 nan 8.190 nan 0.000 0.460 550 S N 6.216 121.931 115.700 0.025 0.000 2.541 550 S HA 0.608 5.079 4.470 0.002 0.000 0.271 550 S C -2.932 171.640 174.600 -0.048 0.000 1.133 550 S CA -0.941 57.288 58.200 0.049 0.000 0.876 550 S CB 2.819 66.074 63.200 0.093 0.000 1.105 550 S HN 0.610 nan 8.310 nan 0.000 0.470 551 P HA 0.394 nan 4.420 nan 0.000 0.284 551 P C -0.976 176.362 177.300 0.063 0.000 1.253 551 P CA -0.439 62.632 63.100 -0.049 0.000 0.800 551 P CB 0.247 31.957 31.700 0.016 0.000 0.961 552 F N 1.459 121.466 119.950 0.094 0.000 2.496 552 F HA 0.037 4.565 4.527 0.002 0.000 0.344 552 F C 1.888 177.726 175.800 0.063 0.000 1.155 552 F CA 0.158 58.234 58.000 0.127 0.000 1.302 552 F CB -0.313 38.799 39.000 0.187 0.000 1.159 552 F HN 0.304 nan 8.300 nan 0.000 0.595 553 D N 0.077 120.670 120.400 0.321 0.000 2.178 553 D HA -0.190 4.452 4.640 0.002 0.000 0.202 553 D C 1.934 178.320 176.300 0.143 0.000 0.974 553 D CA 1.757 55.873 54.000 0.194 0.000 0.841 553 D CB -0.439 40.461 40.800 0.165 0.000 0.953 553 D HN 0.791 nan 8.370 nan 0.000 0.478 554 H N -0.343 118.767 119.070 0.065 0.000 2.524 554 H HA 0.087 4.644 4.556 0.002 0.000 0.282 554 H C 1.347 176.699 175.328 0.041 0.000 1.016 554 H CA 1.554 57.590 56.048 -0.019 0.000 1.270 554 H CB 0.120 29.756 29.762 -0.210 0.000 1.394 554 H HN 0.047 nan 8.280 nan 0.000 0.568 555 S N -0.140 115.333 115.700 -0.379 0.000 2.787 555 S HA 0.129 4.601 4.470 0.002 0.000 0.255 555 S C 0.643 175.204 174.600 -0.064 0.000 1.051 555 S CA -0.808 57.260 58.200 -0.220 0.000 1.124 555 S CB -0.001 63.032 63.200 -0.278 0.000 1.104 555 S HN 0.582 nan 8.310 nan 0.000 0.623 556 R N 1.395 121.880 120.500 -0.024 0.000 2.679 556 R HA 0.311 4.653 4.340 0.002 0.000 0.268 556 R C -0.300 175.984 176.300 -0.027 0.000 1.044 556 R CA -0.390 55.702 56.100 -0.012 0.000 1.105 556 R CB 0.131 30.460 30.300 0.048 0.000 0.989 556 R HN 0.175 nan 8.270 nan 0.000 0.447 557 I N 2.607 123.137 120.570 -0.067 0.000 2.371 557 I HA 0.130 4.301 4.170 0.002 0.000 0.290 557 I C 0.376 176.450 176.117 -0.072 0.000 1.028 557 I CA -0.278 60.979 61.300 -0.071 0.000 1.345 557 I CB 1.136 39.069 38.000 -0.112 0.000 1.407 557 I HN 0.643 nan 8.210 nan 0.000 0.501 558 K N 6.647 127.037 120.400 -0.017 0.000 2.183 558 K HA 0.520 4.841 4.320 0.002 0.000 0.274 558 K C -0.557 176.058 176.600 0.025 0.000 1.009 558 K CA -0.632 55.663 56.287 0.014 0.000 0.888 558 K CB 1.669 34.207 32.500 0.063 0.000 1.078 558 K HN 0.425 nan 8.250 nan 0.000 0.459 559 L N 3.241 124.456 121.223 -0.014 0.000 2.417 559 L HA 0.162 4.503 4.340 0.002 0.000 0.268 559 L C 0.528 177.478 176.870 0.134 0.000 1.158 559 L CA -0.367 54.453 54.840 -0.033 0.000 0.819 559 L CB 0.397 42.396 42.059 -0.099 0.000 1.112 559 L HN 0.622 nan 8.230 nan 0.000 0.458 560 H N 2.636 121.707 119.070 0.001 0.000 2.966 560 H HA 0.170 4.728 4.556 0.003 0.000 0.217 560 H C -0.477 174.860 175.328 0.016 0.000 1.906 560 H CA -0.284 55.774 56.048 0.017 0.000 1.351 560 H CB 0.011 29.797 29.762 0.039 0.000 1.722 560 H HN 0.499 nan 8.280 nan 0.000 0.562 561 Q N 0.639 120.508 119.800 0.115 0.000 2.375 561 Q HA 0.103 4.444 4.340 0.002 0.000 0.271 561 Q C 0.385 176.413 176.000 0.048 0.000 1.074 561 Q CA -0.830 55.012 55.803 0.065 0.000 0.808 561 Q CB 2.056 30.814 28.738 0.032 0.000 1.327 561 Q HN 0.447 nan 8.270 nan 0.000 0.441 562 E N 0.973 121.196 120.200 0.039 0.000 2.216 562 E HA -0.119 4.233 4.350 0.002 0.000 0.192 562 E C 0.453 177.068 176.600 0.026 0.000 0.988 562 E CA 1.011 57.429 56.400 0.029 0.000 0.834 562 E CB 0.390 30.105 29.700 0.025 0.000 0.772 562 E HN 0.598 nan 8.360 nan 0.000 0.479 563 D N 0.451 120.867 120.400 0.027 0.000 2.278 563 D HA -0.054 4.587 4.640 0.002 0.000 0.228 563 D C 0.265 176.579 176.300 0.024 0.000 1.020 563 D CA 0.631 54.646 54.000 0.026 0.000 0.922 563 D CB 0.222 41.039 40.800 0.029 0.000 1.051 563 D HN -0.093 nan 8.370 nan 0.000 0.452 564 N N -0.010 118.701 118.700 0.018 0.000 2.442 564 N HA 0.128 4.869 4.740 0.002 0.000 0.274 564 N C -1.089 174.416 175.510 -0.009 0.000 1.002 564 N CA -0.350 52.709 53.050 0.015 0.000 0.910 564 N CB 1.535 40.033 38.487 0.017 0.000 1.244 564 N HN 0.029 nan 8.380 nan 0.000 0.492 565 D N 1.876 122.290 120.400 0.024 0.000 2.349 565 D HA -0.024 4.617 4.640 0.002 0.000 0.214 565 D C 0.073 176.377 176.300 0.007 0.000 1.063 565 D CA -0.084 53.922 54.000 0.010 0.000 0.847 565 D CB -0.483 40.344 40.800 0.045 0.000 0.933 565 D HN 0.413 nan 8.370 nan 0.000 0.513 566 Y N 1.043 121.290 120.300 -0.089 0.000 2.346 566 Y HA 0.450 5.002 4.550 0.002 0.000 0.330 566 Y C -0.487 175.347 175.900 -0.109 0.000 1.178 566 Y CA -0.648 57.407 58.100 -0.075 0.000 1.331 566 Y CB 0.550 38.985 38.460 -0.041 0.000 1.253 566 Y HN 0.001 nan 8.280 nan 0.000 0.529 567 I N 5.697 125.663 120.570 -1.008 0.000 2.775 567 I HA 0.243 4.415 4.170 0.002 0.000 0.295 567 I C -1.487 174.039 176.117 -0.984 0.000 1.287 567 I CA -0.744 60.090 61.300 -0.776 0.000 1.029 567 I CB 1.590 39.373 38.000 -0.362 0.000 1.282 567 I HN 0.663 nan 8.210 nan 0.000 0.426 568 N N 6.195 124.521 118.700 -0.624 0.000 2.605 568 N HA 0.549 5.290 4.740 0.002 0.000 0.258 568 N C -1.240 174.149 175.510 -0.202 0.000 1.156 568 N CA 0.303 53.161 53.050 -0.321 0.000 1.008 568 N CB 0.378 38.820 38.487 -0.075 0.000 1.354 568 N HN 0.689 nan 8.380 nan 0.000 0.509 569 A N 1.566 124.265 122.820 -0.202 0.000 2.555 569 A HA 0.558 4.879 4.320 0.002 0.000 0.297 569 A C -0.945 176.575 177.584 -0.107 0.000 1.060 569 A CA -0.650 51.305 52.037 -0.136 0.000 0.710 569 A CB 1.042 19.949 19.000 -0.155 0.000 1.282 569 A HN 0.329 nan 8.150 nan 0.000 0.399 570 S N 0.356 116.014 115.700 -0.070 0.000 2.568 570 S HA 0.676 5.147 4.470 0.002 0.000 0.302 570 S C -0.866 173.719 174.600 -0.024 0.000 1.082 570 S CA -0.511 57.665 58.200 -0.041 0.000 1.009 570 S CB 1.557 64.742 63.200 -0.026 0.000 1.069 570 S HN 1.143 nan 8.310 nan 0.000 0.500 571 L N 3.229 124.441 121.223 -0.018 0.000 2.255 571 L HA 0.566 4.908 4.340 0.002 0.000 0.289 571 L C -1.431 175.355 176.870 -0.141 0.000 1.046 571 L CA -0.259 54.548 54.840 -0.054 0.000 0.816 571 L CB -0.014 42.013 42.059 -0.054 0.000 1.197 571 L HN 0.463 nan 8.230 nan 0.000 0.427 572 I N 5.491 125.945 120.570 -0.193 0.000 2.312 572 I HA 0.315 4.486 4.170 0.002 0.000 0.291 572 I C 0.152 175.906 176.117 -0.605 0.000 1.031 572 I CA 0.119 61.119 61.300 -0.500 0.000 1.293 572 I CB 0.819 38.789 38.000 -0.049 0.000 1.403 572 I HN 0.521 nan 8.210 nan 0.000 0.484 573 K N 7.154 126.867 120.400 -1.145 0.000 2.464 573 K HA 0.450 4.771 4.320 0.002 0.000 0.252 573 K C -1.075 175.303 176.600 -0.370 0.000 1.000 573 K CA -0.671 55.275 56.287 -0.568 0.000 0.951 573 K CB 0.641 32.948 32.500 -0.322 0.000 1.183 573 K HN 0.367 nan 8.250 nan 0.000 0.445 574 M N 3.608 123.098 119.600 -0.184 0.000 2.151 574 M HA 0.113 4.595 4.480 0.002 0.000 0.349 574 M C 0.942 177.241 176.300 -0.002 0.000 1.284 574 M CA 0.156 55.448 55.300 -0.014 0.000 1.173 574 M CB 0.628 33.246 32.600 0.029 0.000 1.469 574 M HN 0.676 nan 8.290 nan 0.000 0.439 575 E N 2.336 122.565 120.200 0.050 0.000 2.017 575 E HA -0.235 4.116 4.350 0.002 0.000 0.193 575 E C 1.511 178.124 176.600 0.022 0.000 0.997 575 E CA 1.801 58.221 56.400 0.034 0.000 0.804 575 E CB 0.256 29.992 29.700 0.060 0.000 0.757 575 E HN 0.788 nan 8.360 nan 0.000 0.448 576 E N 0.117 120.339 120.200 0.037 0.000 2.033 576 E HA -0.263 4.088 4.350 0.002 0.000 0.199 576 E C 1.892 178.501 176.600 0.014 0.000 1.011 576 E CA 1.536 57.953 56.400 0.027 0.000 0.815 576 E CB -0.254 29.469 29.700 0.037 0.000 0.755 576 E HN 0.277 nan 8.360 nan 0.000 0.451 577 A N 0.046 122.875 122.820 0.016 0.000 2.070 577 A HA -0.162 4.160 4.320 0.002 0.000 0.220 577 A C 0.707 178.278 177.584 -0.021 0.000 1.159 577 A CA 1.249 53.289 52.037 0.005 0.000 0.656 577 A CB -0.344 18.668 19.000 0.019 0.000 0.800 577 A HN 0.521 nan 8.150 nan 0.000 0.453 578 Q N -1.687 118.093 119.800 -0.032 0.000 2.457 578 Q HA -0.195 4.147 4.340 0.002 0.000 0.333 578 Q C -0.165 175.774 176.000 -0.102 0.000 1.448 578 Q CA 1.030 56.798 55.803 -0.058 0.000 0.891 578 Q CB -1.261 27.452 28.738 -0.042 0.000 1.142 578 Q HN 0.787 nan 8.270 nan 0.000 0.375 579 R N -0.151 120.254 120.500 -0.158 0.000 2.643 579 R HA 0.693 5.035 4.340 0.002 0.000 0.269 579 R C -1.484 174.553 176.300 -0.439 0.000 1.037 579 R CA -0.388 55.538 56.100 -0.291 0.000 0.894 579 R CB 2.019 32.144 30.300 -0.291 0.000 1.238 579 R HN 0.111 nan 8.270 nan 0.000 0.459 580 S N 1.359 116.709 115.700 -0.582 0.000 2.569 580 S HA 0.696 5.167 4.470 0.002 0.000 0.280 580 S C -1.790 172.385 174.600 -0.709 0.000 1.111 580 S CA -0.558 57.315 58.200 -0.544 0.000 0.887 580 S CB 1.235 64.265 63.200 -0.283 0.000 1.095 580 S HN 0.472 nan 8.310 nan 0.000 0.476 581 Y N -0.195 120.049 120.300 -0.093 0.000 2.644 581 Y HA 0.653 5.204 4.550 0.003 0.000 0.338 581 Y C -0.642 175.208 175.900 -0.082 0.000 1.119 581 Y CA -1.113 56.952 58.100 -0.058 0.000 1.060 581 Y CB 1.120 39.571 38.460 -0.014 0.000 1.294 581 Y HN 0.431 nan 8.280 nan 0.000 0.472 582 I N 2.787 123.425 120.570 0.112 0.000 2.439 582 I HA 0.286 4.457 4.170 0.002 0.000 0.283 582 I C -1.473 174.656 176.117 0.021 0.000 1.023 582 I CA -0.566 60.743 61.300 0.014 0.000 1.100 582 I CB 1.274 39.242 38.000 -0.055 0.000 1.238 582 I HN 0.271 nan 8.210 nan 0.000 0.445 583 L N 5.693 126.922 121.223 0.010 0.000 2.307 583 L HA 0.659 5.000 4.340 0.002 0.000 0.282 583 L C 0.232 177.089 176.870 -0.020 0.000 1.051 583 L CA 0.196 55.034 54.840 -0.003 0.000 0.804 583 L CB 1.724 43.776 42.059 -0.011 0.000 1.197 583 L HN 0.537 nan 8.230 nan 0.000 0.431 584 T N 1.189 115.743 114.554 0.001 0.000 2.843 584 T HA 0.456 4.807 4.350 0.002 0.000 0.302 584 T C -1.163 173.528 174.700 -0.016 0.000 1.232 584 T CA -0.727 61.357 62.100 -0.026 0.000 1.009 584 T CB 1.300 70.145 68.868 -0.037 0.000 1.254 584 T HN 0.644 nan 8.240 nan 0.000 0.504 585 Q N 1.103 120.868 119.800 -0.059 0.000 2.382 585 Q HA 0.587 4.928 4.340 0.002 0.000 0.229 585 Q C 0.619 176.491 176.000 -0.213 0.000 1.006 585 Q CA -0.866 54.904 55.803 -0.055 0.000 0.916 585 Q CB 0.158 28.880 28.738 -0.027 0.000 1.235 585 Q HN 0.763 nan 8.270 nan 0.000 0.512 586 G N 1.693 110.389 108.800 -0.174 0.000 2.365 586 G HA2 0.288 4.250 3.960 0.002 0.000 0.249 586 G HA3 0.288 4.250 3.960 0.002 0.000 0.249 586 G C -2.364 172.309 174.900 -0.377 0.000 1.288 586 G CA -0.972 43.904 45.100 -0.373 0.000 0.887 586 G HN 0.439 nan 8.290 nan 0.000 0.524 587 P HA 0.036 nan 4.420 nan 0.000 0.266 587 P C 0.048 177.220 177.300 -0.213 0.000 1.193 587 P CA 0.151 62.993 63.100 -0.430 0.000 0.770 587 P CB 0.621 31.899 31.700 -0.703 0.000 0.836 588 L N 5.493 126.627 121.223 -0.149 0.000 2.375 588 L HA 0.310 4.652 4.340 0.002 0.000 0.268 588 L C -1.245 175.586 176.870 -0.065 0.000 1.058 588 L CA -1.987 52.797 54.840 -0.094 0.000 0.803 588 L CB 0.862 42.877 42.059 -0.073 0.000 1.212 588 L HN 0.290 nan 8.230 nan 0.000 0.451 589 P HA -0.171 nan 4.420 nan 0.000 0.217 589 P C 0.577 177.865 177.300 -0.019 0.000 1.148 589 P CA 1.253 64.342 63.100 -0.019 0.000 0.834 589 P CB 0.026 31.713 31.700 -0.021 0.000 0.783 590 N N -3.055 115.618 118.700 -0.045 0.000 2.280 590 N HA 0.044 4.785 4.740 0.002 0.000 0.192 590 N C 0.706 176.096 175.510 -0.200 0.000 1.109 590 N CA 0.663 53.669 53.050 -0.073 0.000 0.855 590 N CB -0.476 37.990 38.487 -0.035 0.000 0.974 590 N HN -0.033 nan 8.380 nan 0.000 0.482 591 T N -0.239 114.214 114.554 -0.168 0.000 3.044 591 T HA 0.186 4.538 4.350 0.002 0.000 0.260 591 T C 1.373 175.964 174.700 -0.182 0.000 1.019 591 T CA -0.276 61.693 62.100 -0.219 0.000 0.921 591 T CB -0.130 68.702 68.868 -0.061 0.000 1.053 591 T HN 0.298 nan 8.240 nan 0.000 0.533 592 C N 0.890 120.126 119.300 -0.107 0.000 2.446 592 C HA 0.087 4.549 4.460 0.002 0.000 0.277 592 C C 2.945 177.857 174.990 -0.130 0.000 1.275 592 C CA 0.708 59.704 59.018 -0.037 0.000 1.727 592 C CB -1.187 26.706 27.740 0.254 0.000 2.010 592 C HN 0.672 nan 8.230 nan 0.000 0.486 593 G N -0.392 108.361 108.800 -0.079 0.000 2.418 593 G HA2 -0.205 3.757 3.960 0.002 0.000 0.217 593 G HA3 -0.205 3.757 3.960 0.002 0.000 0.217 593 G C 1.142 176.041 174.900 -0.001 0.000 1.158 593 G CA 0.857 45.909 45.100 -0.081 0.000 0.771 593 G HN 0.741 nan 8.290 nan 0.000 0.545 594 H N -1.185 117.871 119.070 -0.024 0.000 2.352 594 H HA -0.082 4.476 4.556 0.002 0.000 0.299 594 H C 2.247 177.505 175.328 -0.118 0.000 1.097 594 H CA 1.083 57.097 56.048 -0.055 0.000 1.311 594 H CB -0.162 29.568 29.762 -0.053 0.000 1.377 594 H HN 0.380 nan 8.280 nan 0.000 0.504 595 F N 0.429 120.254 119.950 -0.209 0.000 2.095 595 F HA -0.263 4.265 4.527 0.003 0.000 0.298 595 F C 1.666 177.186 175.800 -0.467 0.000 1.104 595 F CA 1.502 59.231 58.000 -0.451 0.000 1.232 595 F CB -0.349 38.207 39.000 -0.740 0.000 0.987 595 F HN 0.120 nan 8.300 nan 0.000 0.475 596 W N 0.702 121.913 121.300 -0.149 0.000 2.518 596 W HA -0.041 4.621 4.660 0.002 0.000 0.273 596 W C 2.509 178.954 176.519 -0.123 0.000 1.247 596 W CA 0.899 58.130 57.345 -0.190 0.000 1.288 596 W CB -0.392 28.897 29.460 -0.286 0.000 1.107 596 W HN 0.148 nan 8.180 nan 0.000 0.586 597 E N 0.855 121.101 120.200 0.076 0.000 2.106 597 E HA -0.276 4.075 4.350 0.002 0.000 0.192 597 E C 2.125 178.726 176.600 0.001 0.000 0.984 597 E CA 1.492 57.934 56.400 0.071 0.000 0.806 597 E CB -0.331 29.395 29.700 0.043 0.000 0.750 597 E HN 0.304 nan 8.360 nan 0.000 0.458 598 M N 0.388 119.907 119.600 -0.136 0.000 2.099 598 M HA -0.140 4.341 4.480 0.002 0.000 0.262 598 M C 2.053 178.228 176.300 -0.209 0.000 1.067 598 M CA 1.316 56.482 55.300 -0.222 0.000 1.124 598 M CB 0.040 32.451 32.600 -0.315 0.000 1.353 598 M HN 0.096 nan 8.290 nan 0.000 0.410 599 V N 0.306 120.068 119.914 -0.254 0.000 2.282 599 V HA -0.337 3.785 4.120 0.002 0.000 0.249 599 V C 2.172 178.265 176.094 -0.002 0.000 1.057 599 V CA 2.392 64.597 62.300 -0.158 0.000 1.032 599 V CB -1.188 30.595 31.823 -0.067 0.000 0.645 599 V HN 0.769 nan 8.190 nan 0.000 0.447 600 W N 1.312 122.587 121.300 -0.041 0.000 2.332 600 W HA -0.186 4.475 4.660 0.001 0.000 0.321 600 W C 2.456 178.941 176.519 -0.058 0.000 1.219 600 W CA 2.244 59.578 57.345 -0.018 0.000 1.277 600 W CB -0.307 29.157 29.460 0.007 0.000 1.161 600 W HN 0.394 nan 8.180 nan 0.000 0.476 601 E N -0.289 119.956 120.200 0.075 0.000 2.160 601 E HA -0.257 4.095 4.350 0.002 0.000 0.195 601 E C 1.906 178.421 176.600 -0.141 0.000 0.991 601 E CA 1.050 57.396 56.400 -0.090 0.000 0.810 601 E CB -0.345 29.100 29.700 -0.425 0.000 0.742 601 E HN 0.276 nan 8.360 nan 0.000 0.466 602 Q N 0.256 119.965 119.800 -0.152 0.000 2.425 602 Q HA 0.049 4.390 4.340 0.002 0.000 0.204 602 Q C 0.056 175.981 176.000 -0.124 0.000 0.933 602 Q CA 0.237 55.967 55.803 -0.123 0.000 0.939 602 Q CB 0.349 29.008 28.738 -0.132 0.000 1.044 602 Q HN 0.228 nan 8.270 nan 0.000 0.513 603 K N 0.546 120.837 120.400 -0.182 0.000 3.117 603 K HA -0.098 4.223 4.320 0.002 0.000 0.269 603 K C -0.568 175.945 176.600 -0.145 0.000 1.098 603 K CA 0.342 56.508 56.287 -0.202 0.000 0.785 603 K CB -2.107 30.302 32.500 -0.150 0.000 1.242 603 K HN 0.089 nan 8.250 nan 0.000 0.491 604 S N 0.500 116.119 115.700 -0.135 0.000 2.585 604 S HA 0.257 4.729 4.470 0.002 0.000 0.273 604 S C 1.205 175.721 174.600 -0.140 0.000 1.339 604 S CA -0.679 57.454 58.200 -0.113 0.000 1.028 604 S CB 1.148 64.291 63.200 -0.094 0.000 0.906 604 S HN 0.217 nan 8.310 nan 0.000 0.528 605 R N 0.517 120.903 120.500 -0.189 0.000 2.487 605 R HA 0.277 4.619 4.340 0.002 0.000 0.272 605 R C 0.597 176.874 176.300 -0.038 0.000 0.928 605 R CA 0.073 56.042 56.100 -0.219 0.000 1.077 605 R CB 0.688 30.620 30.300 -0.613 0.000 1.265 605 R HN 0.704 nan 8.270 nan 0.000 0.537 606 G N 0.094 108.915 108.800 0.036 0.000 2.667 606 G HA2 0.522 4.484 3.960 0.002 0.000 0.298 606 G HA3 0.522 4.484 3.960 0.002 0.000 0.298 606 G C -1.394 173.614 174.900 0.180 0.000 1.377 606 G CA -0.256 44.952 45.100 0.180 0.000 0.964 606 G HN -0.103 nan 8.290 nan 0.000 0.493 607 V N 1.157 121.223 119.914 0.253 0.000 2.531 607 V HA 0.532 4.654 4.120 0.002 0.000 0.301 607 V C -0.396 175.762 176.094 0.108 0.000 1.034 607 V CA -0.714 61.712 62.300 0.209 0.000 0.865 607 V CB 1.810 33.871 31.823 0.396 0.000 0.995 607 V HN 0.599 nan 8.190 nan 0.000 0.424 608 V N 5.840 125.740 119.914 -0.024 0.000 2.384 608 V HA 0.497 4.619 4.120 0.002 0.000 0.287 608 V C -0.120 175.769 176.094 -0.342 0.000 1.020 608 V CA -0.354 61.853 62.300 -0.154 0.000 0.850 608 V CB 1.548 33.147 31.823 -0.374 0.000 0.987 608 V HN 0.904 nan 8.190 nan 0.000 0.436 609 M N 5.519 124.909 119.600 -0.351 0.000 2.167 609 M HA 0.493 4.974 4.480 0.002 0.000 0.333 609 M C -0.276 175.926 176.300 -0.164 0.000 1.030 609 M CA -0.413 54.573 55.300 -0.523 0.000 0.963 609 M CB 1.184 33.440 32.600 -0.574 0.000 1.589 609 M HN 0.598 nan 8.290 nan 0.000 0.431 610 L N 3.890 124.957 121.223 -0.260 0.000 2.693 610 L HA 0.211 4.552 4.340 0.002 0.000 0.235 610 L C 0.724 177.555 176.870 -0.066 0.000 1.127 610 L CA -0.314 54.437 54.840 -0.149 0.000 0.914 610 L CB -0.548 41.249 42.059 -0.437 0.000 1.193 610 L HN 0.701 nan 8.230 nan 0.000 0.502 611 N N 0.161 118.855 118.700 -0.010 0.000 2.989 611 N HA 0.453 5.194 4.740 0.002 0.000 0.338 611 N C -0.523 175.146 175.510 0.265 0.000 1.369 611 N CA -0.725 52.371 53.050 0.076 0.000 0.794 611 N CB 1.429 39.936 38.487 0.033 0.000 1.359 611 N HN -0.094 nan 8.380 nan 0.000 0.609 612 R N -1.000 119.640 120.500 0.233 0.000 2.854 612 R HA 0.453 4.794 4.340 0.002 0.000 0.271 612 R C 1.152 177.586 176.300 0.224 0.000 0.994 612 R CA -0.918 55.357 56.100 0.293 0.000 0.945 612 R CB 2.016 32.446 30.300 0.218 0.000 1.194 612 R HN 0.258 nan 8.270 nan 0.000 0.476 613 V N 1.104 121.156 119.914 0.231 0.000 2.233 613 V HA -0.175 3.946 4.120 0.002 0.000 0.247 613 V C 1.041 177.199 176.094 0.108 0.000 1.050 613 V CA 1.713 64.107 62.300 0.157 0.000 1.010 613 V CB -0.141 31.749 31.823 0.111 0.000 0.637 613 V HN 0.615 nan 8.190 nan 0.000 0.444 614 M N 0.196 119.854 119.600 0.096 0.000 2.205 614 M HA 0.396 4.877 4.480 0.002 0.000 0.344 614 M C -1.013 175.340 176.300 0.088 0.000 1.085 614 M CA -0.000 55.345 55.300 0.076 0.000 1.001 614 M CB 1.197 33.829 32.600 0.055 0.000 1.626 614 M HN 0.241 nan 8.290 nan 0.000 0.442 615 E N 4.362 124.616 120.200 0.090 0.000 2.263 615 E HA 0.295 4.646 4.350 0.002 0.000 0.268 615 E C -1.019 175.636 176.600 0.092 0.000 0.884 615 E CA -0.682 55.775 56.400 0.095 0.000 0.766 615 E CB 1.712 31.476 29.700 0.106 0.000 1.196 615 E HN 0.686 nan 8.360 nan 0.000 0.416 616 K N 1.243 121.693 120.400 0.083 0.000 3.096 616 K HA -0.283 4.038 4.320 0.002 0.000 0.266 616 K C 0.679 177.317 176.600 0.063 0.000 1.043 616 K CA 0.580 56.912 56.287 0.074 0.000 0.758 616 K CB -1.500 31.053 32.500 0.089 0.000 1.260 616 K HN 1.098 nan 8.250 nan 0.000 0.481 617 G N -0.706 108.127 108.800 0.055 0.000 2.234 617 G HA2 -0.385 3.576 3.960 0.002 0.000 0.260 617 G HA3 -0.385 3.576 3.960 0.002 0.000 0.260 617 G C 0.023 174.950 174.900 0.044 0.000 0.987 617 G CA 0.589 45.715 45.100 0.045 0.000 0.625 617 G HN 1.011 nan 8.290 nan 0.000 0.532 618 S N -0.503 115.230 115.700 0.056 0.000 2.568 618 S HA 0.756 5.227 4.470 0.002 0.000 0.302 618 S C -0.234 174.398 174.600 0.053 0.000 1.082 618 S CA -0.665 57.566 58.200 0.052 0.000 1.009 618 S CB 2.494 65.732 63.200 0.064 0.000 1.069 618 S HN 1.257 nan 8.310 nan 0.000 0.500 619 L N 2.414 123.658 121.223 0.035 0.000 2.530 619 L HA 0.344 4.686 4.340 0.002 0.000 0.273 619 L C 0.829 177.722 176.870 0.038 0.000 1.141 619 L CA 0.463 55.322 54.840 0.031 0.000 0.905 619 L CB 0.091 42.154 42.059 0.007 0.000 1.202 619 L HN 0.705 nan 8.230 nan 0.000 0.473 620 K N 3.704 124.144 120.400 0.066 0.000 2.358 620 K HA 0.242 4.564 4.320 0.002 0.000 0.197 620 K C -0.452 176.187 176.600 0.066 0.000 1.025 620 K CA 0.135 56.472 56.287 0.083 0.000 1.104 620 K CB -0.052 32.523 32.500 0.125 0.000 0.855 620 K HN 0.588 nan 8.250 nan 0.000 0.531 621 C N 0.057 119.394 119.300 0.062 0.000 3.181 621 C HA 0.628 5.090 4.460 0.002 0.000 0.362 621 C C -0.926 174.100 174.990 0.060 0.000 1.125 621 C CA -0.995 58.062 59.018 0.066 0.000 1.265 621 C CB 1.078 28.924 27.740 0.177 0.000 1.632 621 C HN 0.454 nan 8.230 nan 0.000 0.525 622 A N 2.841 125.687 122.820 0.043 0.000 2.304 622 A HA 0.597 4.919 4.320 0.002 0.000 0.271 622 A C -0.078 177.529 177.584 0.040 0.000 1.091 622 A CA -0.049 52.003 52.037 0.026 0.000 0.812 622 A CB 0.403 19.410 19.000 0.013 0.000 1.056 622 A HN 0.949 nan 8.150 nan 0.000 0.489 623 Q N 1.200 120.919 119.800 -0.135 0.000 2.513 623 Q HA 0.218 4.559 4.340 0.002 0.000 0.227 623 Q C -0.450 175.381 176.000 -0.282 0.000 1.257 623 Q CA 0.388 55.908 55.803 -0.472 0.000 0.915 623 Q CB -0.668 27.795 28.738 -0.459 0.000 1.507 623 Q HN 0.685 nan 8.270 nan 0.000 0.543 624 Y N 1.422 121.688 120.300 -0.057 0.000 2.495 624 Y HA 0.393 4.944 4.550 0.002 0.000 0.293 624 Y C -0.851 175.433 175.900 0.641 0.000 1.186 624 Y CA -1.253 57.028 58.100 0.300 0.000 1.266 624 Y CB -0.553 37.998 38.460 0.152 0.000 1.101 624 Y HN 0.396 nan 8.280 nan 0.000 0.517 625 W N -1.155 120.108 121.300 -0.061 0.000 3.083 625 W HA 0.793 5.454 4.660 0.002 0.000 0.333 625 W C -3.306 173.165 176.519 -0.079 0.000 1.217 625 W CA -3.142 54.173 57.345 -0.050 0.000 1.170 625 W CB 0.360 29.645 29.460 -0.292 0.000 1.437 625 W HN -0.311 nan 8.180 nan 0.000 0.557 626 P HA 0.062 nan 4.420 nan 0.000 0.269 626 P C 0.222 177.506 177.300 -0.027 0.000 1.215 626 P CA 0.126 63.206 63.100 -0.033 0.000 0.780 626 P CB 1.124 32.827 31.700 0.004 0.000 0.898 627 Q N 1.407 121.161 119.800 -0.075 0.000 2.389 627 Q HA 0.161 4.502 4.340 0.002 0.000 0.198 627 Q C -0.182 175.817 176.000 -0.002 0.000 0.967 627 Q CA 0.242 56.020 55.803 -0.043 0.000 0.863 627 Q CB -0.195 28.486 28.738 -0.094 0.000 0.987 627 Q HN 0.286 nan 8.270 nan 0.000 0.557 628 K N 1.695 122.082 120.400 -0.022 0.000 2.154 628 K HA 0.189 4.510 4.320 0.002 0.000 0.264 628 K C -0.628 175.969 176.600 -0.006 0.000 1.008 628 K CA -0.508 55.772 56.287 -0.012 0.000 0.937 628 K CB 0.935 33.422 32.500 -0.022 0.000 1.002 628 K HN -0.009 nan 8.250 nan 0.000 0.469 629 E N 2.350 122.550 120.200 0.000 0.000 2.757 629 E HA -0.146 4.205 4.350 0.002 0.000 0.238 629 E C -0.964 175.631 176.600 -0.009 0.000 1.057 629 E CA 0.902 57.302 56.400 0.001 0.000 0.952 629 E CB -0.332 29.369 29.700 0.001 0.000 0.934 629 E HN 0.519 nan 8.360 nan 0.000 0.518 630 E N 1.821 122.014 120.200 -0.010 0.000 2.919 630 E HA -0.200 4.151 4.350 0.002 0.000 0.299 630 E C 0.215 176.795 176.600 -0.033 0.000 0.951 630 E CA 0.651 57.038 56.400 -0.022 0.000 0.952 630 E CB -1.140 28.547 29.700 -0.021 0.000 1.465 630 E HN 0.329 nan 8.360 nan 0.000 0.407 631 K N 1.764 122.143 120.400 -0.035 0.000 2.574 631 K HA -0.037 4.284 4.320 0.002 0.000 0.193 631 K C -0.220 176.337 176.600 -0.072 0.000 1.035 631 K CA 1.028 57.283 56.287 -0.053 0.000 0.982 631 K CB -0.186 32.279 32.500 -0.060 0.000 0.795 631 K HN 0.432 nan 8.250 nan 0.000 0.491 632 E N 0.659 120.819 120.200 -0.067 0.000 1.072 632 E HA -0.256 4.095 4.350 0.002 0.000 0.370 632 E C -1.043 175.477 176.600 -0.134 0.000 0.616 632 E CA 0.764 57.111 56.400 -0.088 0.000 1.392 632 E CB -0.016 29.637 29.700 -0.077 0.000 0.261 632 E HN 0.306 nan 8.360 nan 0.000 0.369 633 M N 4.819 124.313 119.600 -0.177 0.000 2.528 633 M HA 0.581 5.063 4.480 0.002 0.000 0.321 633 M C -0.243 175.801 176.300 -0.427 0.000 1.153 633 M CA -0.840 54.265 55.300 -0.324 0.000 0.951 633 M CB 1.725 34.099 32.600 -0.376 0.000 1.705 633 M HN 0.356 nan 8.290 nan 0.000 0.451 634 I N 1.423 121.663 120.570 -0.551 0.000 2.545 634 I HA 0.420 4.592 4.170 0.002 0.000 0.292 634 I C -1.495 174.237 176.117 -0.642 0.000 1.040 634 I CA -0.464 60.573 61.300 -0.438 0.000 1.068 634 I CB 2.080 39.952 38.000 -0.214 0.000 1.251 634 I HN 0.553 nan 8.210 nan 0.000 0.424 635 F N 4.353 124.296 119.950 -0.011 0.000 2.311 635 F HA 0.325 4.854 4.527 0.002 0.000 0.371 635 F C 1.226 177.029 175.800 0.005 0.000 1.083 635 F CA -0.525 57.488 58.000 0.020 0.000 1.113 635 F CB 1.001 40.047 39.000 0.077 0.000 1.349 635 F HN 0.447 nan 8.300 nan 0.000 0.470 636 E N 1.688 121.938 120.200 0.082 0.000 2.049 636 E HA -0.259 4.092 4.350 0.002 0.000 0.198 636 E C 1.907 178.555 176.600 0.079 0.000 1.007 636 E CA 2.279 58.709 56.400 0.051 0.000 0.809 636 E CB -0.036 29.675 29.700 0.017 0.000 0.749 636 E HN 0.687 nan 8.360 nan 0.000 0.450 637 D N -1.290 119.175 120.400 0.107 0.000 2.149 637 D HA -0.144 4.497 4.640 0.002 0.000 0.198 637 D C 1.580 177.950 176.300 0.117 0.000 0.990 637 D CA 2.038 56.103 54.000 0.109 0.000 0.839 637 D CB -0.899 39.973 40.800 0.120 0.000 0.948 637 D HN 0.361 nan 8.370 nan 0.000 0.460 638 T N -4.217 110.421 114.554 0.141 0.000 3.044 638 T HA 0.124 4.476 4.350 0.002 0.000 0.260 638 T C 0.375 175.105 174.700 0.051 0.000 1.019 638 T CA -0.358 61.805 62.100 0.105 0.000 0.921 638 T CB -0.289 68.653 68.868 0.124 0.000 1.053 638 T HN 0.055 nan 8.240 nan 0.000 0.533 639 N N 1.393 120.130 118.700 0.060 0.000 2.727 639 N HA -0.106 4.635 4.740 0.002 0.000 0.251 639 N C -1.036 174.446 175.510 -0.047 0.000 1.040 639 N CA 0.422 53.471 53.050 -0.001 0.000 0.712 639 N CB -1.459 37.004 38.487 -0.041 0.000 0.912 639 N HN 0.551 nan 8.380 nan 0.000 0.545 640 L N -0.131 121.124 121.223 0.054 0.000 2.388 640 L HA 0.507 4.848 4.340 0.002 0.000 0.264 640 L C 0.169 177.108 176.870 0.115 0.000 0.998 640 L CA -0.660 54.195 54.840 0.026 0.000 0.817 640 L CB 2.487 44.587 42.059 0.068 0.000 1.338 640 L HN -0.028 nan 8.230 nan 0.000 0.414 641 K N 2.133 122.539 120.400 0.011 0.000 2.270 641 K HA 0.688 5.009 4.320 0.002 0.000 0.255 641 K C -1.798 174.782 176.600 -0.033 0.000 0.936 641 K CA -0.689 55.590 56.287 -0.014 0.000 0.809 641 K CB 2.016 34.484 32.500 -0.054 0.000 1.131 641 K HN 0.380 nan 8.250 nan 0.000 0.427 642 L N 2.887 124.078 121.223 -0.053 0.000 2.356 642 L HA 0.497 4.839 4.340 0.002 0.000 0.277 642 L C -1.325 175.488 176.870 -0.095 0.000 0.996 642 L CA 0.124 54.890 54.840 -0.122 0.000 0.822 642 L CB 2.119 44.066 42.059 -0.187 0.000 1.256 642 L HN 0.633 nan 8.230 nan 0.000 0.413 643 T N 5.189 119.695 114.554 -0.080 0.000 2.829 643 T HA 0.468 4.819 4.350 0.002 0.000 0.280 643 T C -0.952 173.728 174.700 -0.033 0.000 0.999 643 T CA -0.411 61.658 62.100 -0.050 0.000 0.983 643 T CB 1.520 70.366 68.868 -0.037 0.000 0.968 643 T HN 0.475 nan 8.240 nan 0.000 0.446 644 L N 4.832 126.048 121.223 -0.012 0.000 2.315 644 L HA 0.319 4.660 4.340 0.002 0.000 0.283 644 L C 0.554 177.425 176.870 0.002 0.000 1.089 644 L CA -0.099 54.746 54.840 0.009 0.000 0.833 644 L CB -0.303 41.776 42.059 0.034 0.000 1.170 644 L HN 0.586 nan 8.230 nan 0.000 0.442 645 I N 2.164 122.733 120.570 -0.001 0.000 2.556 645 I HA 0.143 4.315 4.170 0.002 0.000 0.251 645 I C 0.768 176.887 176.117 0.003 0.000 1.105 645 I CA 0.849 62.149 61.300 -0.001 0.000 1.436 645 I CB -0.913 37.086 38.000 -0.002 0.000 1.139 645 I HN 0.744 nan 8.210 nan 0.000 0.438 646 S N -0.003 115.699 115.700 0.004 0.000 2.547 646 S HA 0.564 5.035 4.470 0.002 0.000 0.270 646 S C -0.845 173.762 174.600 0.012 0.000 1.150 646 S CA -0.817 57.388 58.200 0.008 0.000 0.850 646 S CB 2.957 66.160 63.200 0.005 0.000 1.118 646 S HN 0.203 nan 8.310 nan 0.000 0.461 647 E N 0.531 120.743 120.200 0.020 0.000 2.283 647 E HA 0.345 4.697 4.350 0.002 0.000 0.258 647 E C -2.040 174.574 176.600 0.023 0.000 0.893 647 E CA -0.331 56.087 56.400 0.031 0.000 0.798 647 E CB 1.259 30.989 29.700 0.051 0.000 1.242 647 E HN 0.579 nan 8.360 nan 0.000 0.414 648 D N 5.126 125.541 120.400 0.025 0.000 2.473 648 D HA 0.283 4.924 4.640 0.002 0.000 0.226 648 D C -0.603 175.694 176.300 -0.005 0.000 1.089 648 D CA -0.384 53.624 54.000 0.014 0.000 0.883 648 D CB 0.484 41.305 40.800 0.036 0.000 1.029 648 D HN 0.479 nan 8.370 nan 0.000 0.517 649 I N 3.747 124.299 120.570 -0.030 0.000 2.322 649 I HA 0.154 4.325 4.170 0.002 0.000 0.292 649 I C 0.314 176.344 176.117 -0.144 0.000 1.060 649 I CA -0.058 61.202 61.300 -0.067 0.000 1.309 649 I CB 0.391 38.365 38.000 -0.043 0.000 1.415 649 I HN -0.011 nan 8.210 nan 0.000 0.492 650 K N 3.690 123.939 120.400 -0.251 0.000 2.371 650 K HA 0.376 4.698 4.320 0.002 0.000 0.251 650 K C 0.863 177.181 176.600 -0.470 0.000 0.934 650 K CA -0.576 55.487 56.287 -0.373 0.000 0.798 650 K CB 1.995 34.173 32.500 -0.537 0.000 1.204 650 K HN 0.335 nan 8.250 nan 0.000 0.427 651 S N 0.710 116.127 115.700 -0.471 0.000 2.642 651 S HA -0.282 4.190 4.470 0.002 0.000 0.330 651 S C 0.995 175.078 174.600 -0.862 0.000 1.309 651 S CA 2.164 59.952 58.200 -0.687 0.000 1.141 651 S CB -0.347 62.322 63.200 -0.884 0.000 1.210 651 S HN 0.608 nan 8.310 nan 0.000 0.440 652 Y N -1.274 118.858 120.300 -0.280 0.000 2.453 652 Y HA 0.381 4.932 4.550 0.002 0.000 0.247 652 Y C 0.004 175.665 175.900 -0.398 0.000 1.124 652 Y CA -0.759 57.142 58.100 -0.333 0.000 1.243 652 Y CB 0.404 38.769 38.460 -0.158 0.000 1.213 652 Y HN 0.492 nan 8.280 nan 0.000 0.523 653 Y N -3.355 116.865 120.300 -0.133 0.000 2.604 653 Y HA 0.731 5.282 4.550 0.002 0.000 0.331 653 Y C -1.125 174.796 175.900 0.036 0.000 1.158 653 Y CA -1.932 56.146 58.100 -0.036 0.000 1.056 653 Y CB 0.869 39.528 38.460 0.332 0.000 1.330 653 Y HN -0.254 nan 8.280 nan 0.000 0.457 654 T N 2.684 117.380 114.554 0.236 0.000 2.841 654 T HA 0.645 4.996 4.350 0.002 0.000 0.283 654 T C -1.247 173.625 174.700 0.287 0.000 1.000 654 T CA -0.732 61.467 62.100 0.164 0.000 0.977 654 T CB 1.633 70.549 68.868 0.080 0.000 0.979 654 T HN 0.602 nan 8.240 nan 0.000 0.446 655 V N 4.366 124.401 119.914 0.201 0.000 2.378 655 V HA 0.524 4.645 4.120 0.002 0.000 0.288 655 V C 0.060 176.144 176.094 -0.017 0.000 1.016 655 V CA -0.910 61.424 62.300 0.056 0.000 0.840 655 V CB 1.263 33.133 31.823 0.079 0.000 0.994 655 V HN 0.720 nan 8.190 nan 0.000 0.431 656 R N 3.085 123.543 120.500 -0.069 0.000 2.732 656 R HA 0.636 4.978 4.340 0.002 0.000 0.278 656 R C -0.756 175.493 176.300 -0.085 0.000 0.976 656 R CA -0.761 55.310 56.100 -0.047 0.000 0.963 656 R CB 2.305 32.577 30.300 -0.047 0.000 1.150 656 R HN 0.691 nan 8.270 nan 0.000 0.478 657 Q N 2.501 122.273 119.800 -0.047 0.000 2.331 657 Q HA 0.469 4.811 4.340 0.002 0.000 0.267 657 Q C -1.475 174.513 176.000 -0.020 0.000 1.006 657 Q CA -0.549 55.230 55.803 -0.039 0.000 0.818 657 Q CB 1.277 30.001 28.738 -0.023 0.000 1.276 657 Q HN 0.461 nan 8.270 nan 0.000 0.450 658 L N 2.127 123.341 121.223 -0.014 0.000 2.354 658 L HA 0.563 4.905 4.340 0.002 0.000 0.264 658 L C -0.859 176.001 176.870 -0.017 0.000 1.008 658 L CA -0.919 53.907 54.840 -0.023 0.000 0.819 658 L CB 2.236 44.271 42.059 -0.041 0.000 1.339 658 L HN 0.543 nan 8.230 nan 0.000 0.420 659 E N 2.028 122.210 120.200 -0.029 0.000 2.155 659 E HA 0.518 4.869 4.350 0.002 0.000 0.264 659 E C -1.687 174.899 176.600 -0.024 0.000 0.886 659 E CA -0.497 55.900 56.400 -0.006 0.000 0.752 659 E CB 1.667 31.367 29.700 0.001 0.000 1.133 659 E HN 0.378 nan 8.360 nan 0.000 0.414 660 L N 3.788 125.027 121.223 0.025 0.000 2.287 660 L HA 0.535 4.877 4.340 0.002 0.000 0.287 660 L C -0.809 176.155 176.870 0.157 0.000 1.022 660 L CA -0.204 54.661 54.840 0.042 0.000 0.814 660 L CB 1.390 43.507 42.059 0.096 0.000 1.217 660 L HN 0.602 nan 8.230 nan 0.000 0.420 661 E N 3.722 123.937 120.200 0.026 0.000 2.199 661 E HA 0.234 4.586 4.350 0.002 0.000 0.269 661 E C -1.065 175.365 176.600 -0.283 0.000 0.899 661 E CA -0.814 55.560 56.400 -0.043 0.000 0.772 661 E CB 1.211 30.892 29.700 -0.031 0.000 1.155 661 E HN 0.622 nan 8.360 nan 0.000 0.408 662 N N 5.016 123.394 118.700 -0.538 0.000 2.401 662 N HA 0.069 4.811 4.740 0.002 0.000 0.255 662 N C 0.746 176.066 175.510 -0.317 0.000 1.110 662 N CA 0.104 52.713 53.050 -0.734 0.000 0.949 662 N CB 0.729 38.616 38.487 -1.000 0.000 1.110 662 N HN 0.646 nan 8.380 nan 0.000 0.490 663 L N 2.337 123.422 121.223 -0.230 0.000 2.376 663 L HA -0.081 4.260 4.340 0.002 0.000 0.219 663 L C 1.733 178.546 176.870 -0.094 0.000 1.133 663 L CA 0.804 55.570 54.840 -0.124 0.000 0.816 663 L CB -0.162 41.845 42.059 -0.087 0.000 0.933 663 L HN 0.506 nan 8.230 nan 0.000 0.449 664 T N -1.774 112.712 114.554 -0.113 0.000 2.851 664 T HA -0.107 4.244 4.350 0.002 0.000 0.262 664 T C 1.859 176.535 174.700 -0.041 0.000 1.043 664 T CA 1.790 63.850 62.100 -0.066 0.000 1.140 664 T CB -0.098 68.733 68.868 -0.062 0.000 0.872 664 T HN 0.479 nan 8.240 nan 0.000 0.446 665 T N -1.059 113.467 114.554 -0.046 0.000 3.001 665 T HA 0.197 4.548 4.350 0.002 0.000 0.251 665 T C 0.820 175.527 174.700 0.012 0.000 1.040 665 T CA 0.013 62.115 62.100 0.005 0.000 0.985 665 T CB -0.126 68.776 68.868 0.056 0.000 1.011 665 T HN 0.363 nan 8.240 nan 0.000 0.509 666 Q N 0.434 120.220 119.800 -0.023 0.000 2.481 666 Q HA -0.176 4.165 4.340 0.002 0.000 0.258 666 Q C -0.192 175.835 176.000 0.045 0.000 0.961 666 Q CA 0.829 56.629 55.803 -0.005 0.000 1.121 666 Q CB -1.578 27.163 28.738 0.004 0.000 1.503 666 Q HN 0.824 nan 8.270 nan 0.000 0.544 667 E N 1.236 121.492 120.200 0.095 0.000 2.289 667 E HA 0.250 4.601 4.350 0.002 0.000 0.278 667 E C -0.195 176.597 176.600 0.321 0.000 1.032 667 E CA 0.410 56.954 56.400 0.239 0.000 0.854 667 E CB 0.760 30.720 29.700 0.434 0.000 1.046 667 E HN 0.214 nan 8.360 nan 0.000 0.409 668 T N 2.437 117.145 114.554 0.257 0.000 2.908 668 T HA 0.683 5.035 4.350 0.002 0.000 0.290 668 T C -0.207 174.617 174.700 0.207 0.000 1.034 668 T CA -1.036 61.210 62.100 0.244 0.000 1.010 668 T CB 1.660 70.600 68.868 0.120 0.000 1.068 668 T HN 0.444 nan 8.240 nan 0.000 0.481 669 R N 0.096 120.714 120.500 0.196 0.000 2.740 669 R HA 0.490 4.831 4.340 0.002 0.000 0.273 669 R C -1.080 175.259 176.300 0.066 0.000 0.998 669 R CA -0.861 55.286 56.100 0.079 0.000 0.900 669 R CB 2.451 32.741 30.300 -0.016 0.000 1.223 669 R HN 0.784 nan 8.270 nan 0.000 0.466 670 E N 3.215 123.433 120.200 0.029 0.000 2.174 670 E HA 0.285 4.636 4.350 0.002 0.000 0.282 670 E C -0.737 175.874 176.600 0.019 0.000 0.992 670 E CA -0.502 55.913 56.400 0.024 0.000 0.803 670 E CB 0.870 30.581 29.700 0.018 0.000 1.090 670 E HN 0.296 nan 8.360 nan 0.000 0.396 671 I N 5.575 126.170 120.570 0.043 0.000 2.465 671 I HA 0.293 4.465 4.170 0.002 0.000 0.291 671 I C -0.229 175.926 176.117 0.064 0.000 1.014 671 I CA -0.773 60.577 61.300 0.085 0.000 1.093 671 I CB 1.405 39.525 38.000 0.200 0.000 1.267 671 I HN 0.553 nan 8.210 nan 0.000 0.431 672 L N 5.476 126.725 121.223 0.043 0.000 2.289 672 L HA 0.385 4.727 4.340 0.002 0.000 0.285 672 L C 0.118 176.903 176.870 -0.142 0.000 1.049 672 L CA -0.445 54.321 54.840 -0.123 0.000 0.804 672 L CB 1.040 42.999 42.059 -0.168 0.000 1.195 672 L HN 0.509 nan 8.230 nan 0.000 0.428 673 H N 4.278 123.115 119.070 -0.389 0.000 2.595 673 H HA 0.339 4.896 4.556 0.002 0.000 0.313 673 H C -1.476 173.593 175.328 -0.432 0.000 1.023 673 H CA -0.617 55.272 56.048 -0.264 0.000 1.218 673 H CB 0.871 30.519 29.762 -0.189 0.000 1.403 673 H HN 0.354 nan 8.280 nan 0.000 0.477 674 F N 4.513 124.365 119.950 -0.163 0.000 2.361 674 F HA 0.188 4.716 4.527 0.002 0.000 0.364 674 F C 0.532 176.367 175.800 0.059 0.000 1.117 674 F CA -0.571 57.420 58.000 -0.015 0.000 1.071 674 F CB 0.684 39.576 39.000 -0.180 0.000 1.188 674 F HN 0.532 nan 8.300 nan 0.000 0.464 675 H N 3.970 123.142 119.070 0.170 0.000 2.638 675 H HA 0.206 4.764 4.556 0.003 0.000 0.303 675 H C -1.322 174.120 175.328 0.191 0.000 1.034 675 H CA -0.943 55.135 56.048 0.050 0.000 1.225 675 H CB 0.709 30.430 29.762 -0.068 0.000 1.394 675 H HN 0.672 nan 8.280 nan 0.000 0.477 676 Y N 5.045 125.350 120.300 0.008 0.000 2.480 676 Y HA -0.002 4.550 4.550 0.002 0.000 0.341 676 Y C 1.128 176.935 175.900 -0.157 0.000 1.031 676 Y CA 0.251 58.175 58.100 -0.294 0.000 1.295 676 Y CB 0.932 39.040 38.460 -0.587 0.000 1.162 676 Y HN 0.708 nan 8.280 nan 0.000 0.523 677 T N -0.767 113.471 114.554 -0.527 0.000 3.122 677 T HA 0.030 4.382 4.350 0.002 0.000 0.250 677 T C 0.630 175.212 174.700 -0.197 0.000 1.067 677 T CA 0.489 62.349 62.100 -0.401 0.000 0.966 677 T CB -0.407 68.199 68.868 -0.436 0.000 1.002 677 T HN 0.651 nan 8.240 nan 0.000 0.542 678 T N -1.633 112.783 114.554 -0.229 0.000 3.624 678 T HA 0.329 4.680 4.350 0.002 0.000 0.244 678 T C -1.169 173.733 174.700 0.338 0.000 1.063 678 T CA -0.771 61.349 62.100 0.033 0.000 1.252 678 T CB -0.350 68.522 68.868 0.006 0.000 1.021 678 T HN 0.357 nan 8.240 nan 0.000 0.590 679 W N 3.633 125.057 121.300 0.207 0.000 2.466 679 W HA 0.498 5.160 4.660 0.003 0.000 0.303 679 W C -3.182 173.369 176.519 0.053 0.000 0.999 679 W CA -3.217 54.220 57.345 0.154 0.000 1.437 679 W CB 1.430 30.987 29.460 0.162 0.000 1.274 679 W HN 0.196 nan 8.180 nan 0.000 0.417 680 P HA -0.013 nan 4.420 nan 0.000 0.269 680 P C 0.010 177.419 177.300 0.182 0.000 1.209 680 P CA 0.551 63.789 63.100 0.231 0.000 0.776 680 P CB 0.787 32.591 31.700 0.173 0.000 0.876 681 D N 3.138 123.587 120.400 0.082 0.000 2.450 681 D HA -0.047 4.595 4.640 0.002 0.000 0.247 681 D C 0.238 176.610 176.300 0.120 0.000 1.162 681 D CA -0.154 53.812 54.000 -0.057 0.000 0.879 681 D CB -0.173 40.617 40.800 -0.017 0.000 1.163 681 D HN 0.453 nan 8.370 nan 0.000 0.472 682 F N -0.309 119.634 119.950 -0.011 0.000 2.748 682 F HA -0.215 4.313 4.527 0.003 0.000 0.370 682 F C 1.389 177.209 175.800 0.034 0.000 0.620 682 F CA 0.971 58.971 58.000 0.000 0.000 1.233 682 F CB -1.379 37.612 39.000 -0.014 0.000 1.708 682 F HN 0.633 nan 8.300 nan 0.000 0.298 683 G N -0.210 108.726 108.800 0.227 0.000 2.583 683 G HA2 0.678 4.639 3.960 0.002 0.000 0.280 683 G HA3 0.678 4.639 3.960 0.002 0.000 0.280 683 G C -0.311 174.673 174.900 0.139 0.000 1.376 683 G CA 0.008 45.197 45.100 0.149 0.000 1.043 683 G HN 0.645 nan 8.290 nan 0.000 0.538 684 V N -3.543 116.260 119.914 -0.185 0.000 3.158 684 V HA 0.765 4.886 4.120 0.002 0.000 0.315 684 V C -2.814 172.547 176.094 -1.221 0.000 1.148 684 V CA -2.587 59.258 62.300 -0.759 0.000 1.042 684 V CB 1.652 32.904 31.823 -0.952 0.000 1.101 684 V HN 0.489 nan 8.190 nan 0.000 0.448 685 P HA 0.157 nan 4.420 nan 0.000 0.272 685 P C 0.846 177.770 177.300 -0.626 0.000 1.223 685 P CA -0.003 62.297 63.100 -1.333 0.000 0.784 685 P CB 0.493 31.374 31.700 -1.365 0.000 0.923 686 E N 1.134 121.204 120.200 -0.217 0.000 2.208 686 E HA -0.202 4.150 4.350 0.002 0.000 0.202 686 E C 0.031 176.553 176.600 -0.131 0.000 1.014 686 E CA 1.775 58.099 56.400 -0.127 0.000 0.819 686 E CB 0.049 29.695 29.700 -0.090 0.000 0.735 686 E HN 0.578 nan 8.360 nan 0.000 0.469 687 S N -3.567 112.079 115.700 -0.092 0.000 2.614 687 S HA 0.240 4.711 4.470 0.002 0.000 0.280 687 S C -2.693 172.010 174.600 0.171 0.000 1.111 687 S CA -0.945 57.276 58.200 0.036 0.000 0.847 687 S CB 1.565 64.745 63.200 -0.035 0.000 1.079 687 S HN -0.272 nan 8.310 nan 0.000 0.452 688 P HA 0.015 nan 4.420 nan 0.000 0.216 688 P C 1.707 179.069 177.300 0.103 0.000 1.150 688 P CA 2.154 65.252 63.100 -0.003 0.000 0.837 688 P CB -0.161 31.395 31.700 -0.240 0.000 0.786 689 A N 0.207 123.069 122.820 0.071 0.000 1.883 689 A HA -0.232 4.089 4.320 0.002 0.000 0.217 689 A C 2.416 180.048 177.584 0.081 0.000 1.186 689 A CA 2.613 54.695 52.037 0.076 0.000 0.624 689 A CB -1.680 17.349 19.000 0.049 0.000 0.822 689 A HN 0.351 nan 8.150 nan 0.000 0.444 690 S N -1.291 114.425 115.700 0.027 0.000 2.383 690 S HA -0.146 4.326 4.470 0.002 0.000 0.227 690 S C 1.869 176.615 174.600 0.243 0.000 1.026 690 S CA 1.336 59.558 58.200 0.037 0.000 0.981 690 S CB -0.763 62.214 63.200 -0.371 0.000 0.818 690 S HN 0.555 nan 8.310 nan 0.000 0.472 691 F N 2.566 122.537 119.950 0.035 0.000 2.075 691 F HA 0.029 4.558 4.527 0.002 0.000 0.297 691 F C 1.994 177.789 175.800 -0.008 0.000 1.113 691 F CA 1.479 59.448 58.000 -0.052 0.000 1.218 691 F CB -0.490 38.437 39.000 -0.121 0.000 0.984 691 F HN 0.142 nan 8.300 nan 0.000 0.472 692 L N 0.479 121.734 121.223 0.052 0.000 2.012 692 L HA -0.309 4.032 4.340 0.002 0.000 0.210 692 L C 2.510 179.225 176.870 -0.259 0.000 1.073 692 L CA 2.003 56.689 54.840 -0.257 0.000 0.748 692 L CB -1.190 40.859 42.059 -0.016 0.000 0.891 692 L HN 0.376 nan 8.230 nan 0.000 0.431 693 N N 0.020 118.743 118.700 0.040 0.000 2.091 693 N HA -0.298 4.443 4.740 0.002 0.000 0.193 693 N C 2.084 177.600 175.510 0.011 0.000 1.021 693 N CA 1.707 54.833 53.050 0.126 0.000 0.862 693 N CB -0.104 38.501 38.487 0.198 0.000 1.018 693 N HN 0.237 nan 8.380 nan 0.000 0.429 694 F N 1.580 121.403 119.950 -0.212 0.000 2.102 694 F HA -0.142 4.386 4.527 0.002 0.000 0.298 694 F C 2.231 177.793 175.800 -0.396 0.000 1.105 694 F CA 0.916 58.693 58.000 -0.372 0.000 1.239 694 F CB -0.647 38.254 39.000 -0.166 0.000 0.991 694 F HN 0.069 nan 8.300 nan 0.000 0.474 695 L N -0.275 120.671 121.223 -0.462 0.000 2.079 695 L HA -0.198 4.144 4.340 0.002 0.000 0.210 695 L C 1.927 178.486 176.870 -0.518 0.000 1.081 695 L CA 1.879 56.354 54.840 -0.609 0.000 0.752 695 L CB -1.285 40.228 42.059 -0.909 0.000 0.896 695 L HN 0.123 nan 8.230 nan 0.000 0.433 696 F N -0.099 119.674 119.950 -0.295 0.000 2.206 696 F HA -0.065 4.463 4.527 0.002 0.000 0.298 696 F C 2.337 177.976 175.800 -0.269 0.000 1.090 696 F CA 0.828 58.688 58.000 -0.234 0.000 1.323 696 F CB -0.843 38.057 39.000 -0.167 0.000 1.028 696 F HN 0.035 nan 8.300 nan 0.000 0.492 697 K N 0.314 120.606 120.400 -0.180 0.000 2.057 697 K HA -0.078 4.243 4.320 0.002 0.000 0.207 697 K C 2.283 178.643 176.600 -0.400 0.000 1.049 697 K CA 0.999 57.155 56.287 -0.218 0.000 0.931 697 K CB -0.989 31.336 32.500 -0.292 0.000 0.714 697 K HN 0.164 nan 8.250 nan 0.000 0.440 698 V N 1.248 120.690 119.914 -0.786 0.000 2.295 698 V HA -0.216 3.905 4.120 0.002 0.000 0.246 698 V C 2.531 178.322 176.094 -0.506 0.000 1.049 698 V CA 1.592 63.215 62.300 -1.127 0.000 1.024 698 V CB -0.423 30.737 31.823 -1.105 0.000 0.648 698 V HN 0.290 nan 8.190 nan 0.000 0.447 699 R N 0.231 120.568 120.500 -0.272 0.000 2.083 699 R HA -0.226 4.116 4.340 0.002 0.000 0.237 699 R C 2.384 178.653 176.300 -0.051 0.000 1.137 699 R CA 1.941 57.984 56.100 -0.095 0.000 0.951 699 R CB -0.385 29.933 30.300 0.030 0.000 0.851 699 R HN 0.810 nan 8.270 nan 0.000 0.434 700 E N 0.625 120.800 120.200 -0.041 0.000 2.409 700 E HA -0.123 4.229 4.350 0.002 0.000 0.198 700 E C 1.387 177.994 176.600 0.012 0.000 1.024 700 E CA 1.390 57.783 56.400 -0.011 0.000 0.861 700 E CB 0.032 29.728 29.700 -0.007 0.000 0.788 700 E HN 0.275 nan 8.360 nan 0.000 0.521 701 S N -0.528 115.178 115.700 0.010 0.000 2.489 701 S HA 0.167 4.638 4.470 0.002 0.000 0.228 701 S C 1.785 176.438 174.600 0.088 0.000 0.995 701 S CA 0.372 58.628 58.200 0.093 0.000 0.934 701 S CB 0.002 63.343 63.200 0.234 0.000 0.771 701 S HN 0.629 nan 8.310 nan 0.000 0.522 702 G N 0.630 109.462 108.800 0.053 0.000 2.179 702 G HA2 -0.303 3.658 3.960 0.002 0.000 0.260 702 G HA3 -0.303 3.658 3.960 0.002 0.000 0.260 702 G C 0.913 175.895 174.900 0.136 0.000 0.977 702 G CA 0.453 45.603 45.100 0.084 0.000 0.641 702 G HN 0.594 nan 8.290 nan 0.000 0.533 703 S N -0.336 115.416 115.700 0.086 0.000 2.447 703 S HA 0.114 4.586 4.470 0.002 0.000 0.233 703 S C 2.051 176.687 174.600 0.060 0.000 1.006 703 S CA 1.169 59.411 58.200 0.070 0.000 0.957 703 S CB -0.066 63.187 63.200 0.088 0.000 0.773 703 S HN 0.498 nan 8.310 nan 0.000 0.507 704 L N 1.020 122.264 121.223 0.035 0.000 2.567 704 L HA 0.192 4.533 4.340 0.002 0.000 0.225 704 L C 1.142 178.017 176.870 0.009 0.000 1.119 704 L CA -0.210 54.637 54.840 0.013 0.000 0.871 704 L CB -0.081 41.978 42.059 0.001 0.000 1.036 704 L HN 0.148 nan 8.230 nan 0.000 0.459 705 S N 1.262 116.994 115.700 0.054 0.000 2.558 705 S HA 0.034 4.505 4.470 0.002 0.000 0.291 705 S C -1.099 173.495 174.600 -0.010 0.000 1.306 705 S CA -0.956 57.254 58.200 0.016 0.000 1.056 705 S CB 0.632 63.843 63.200 0.018 0.000 0.836 705 S HN 0.076 nan 8.310 nan 0.000 0.504 706 P HA -0.007 nan 4.420 nan 0.000 0.236 706 P C 0.558 177.804 177.300 -0.090 0.000 1.177 706 P CA 0.541 63.599 63.100 -0.070 0.000 0.773 706 P CB -0.180 31.476 31.700 -0.072 0.000 0.878 707 E N -1.432 118.672 120.200 -0.160 0.000 2.511 707 E HA -0.061 4.290 4.350 0.002 0.000 0.196 707 E C 0.392 176.826 176.600 -0.276 0.000 1.066 707 E CA 0.193 56.457 56.400 -0.227 0.000 0.871 707 E CB -0.352 29.164 29.700 -0.306 0.000 0.863 707 E HN 0.327 nan 8.360 nan 0.000 0.520 708 H N -0.007 119.031 119.070 -0.054 0.000 2.771 708 H HA 0.497 5.054 4.556 0.002 0.000 0.344 708 H C 0.274 175.559 175.328 -0.072 0.000 1.260 708 H CA -0.505 55.506 56.048 -0.060 0.000 1.276 708 H CB 1.276 31.010 29.762 -0.048 0.000 1.881 708 H HN 0.144 nan 8.280 nan 0.000 0.615 709 G N 0.877 109.731 108.800 0.089 0.000 2.507 709 G HA2 0.258 4.220 3.960 0.002 0.000 0.271 709 G HA3 0.258 4.220 3.960 0.002 0.000 0.271 709 G C -2.350 172.535 174.900 -0.024 0.000 1.189 709 G CA -1.087 44.006 45.100 -0.011 0.000 0.859 709 G HN 0.329 nan 8.290 nan 0.000 0.542 710 P HA 0.034 nan 4.420 nan 0.000 0.265 710 P C 0.458 177.735 177.300 -0.038 0.000 1.193 710 P CA -0.107 62.950 63.100 -0.072 0.000 0.765 710 P CB 1.159 32.803 31.700 -0.095 0.000 0.823 711 V N 4.559 124.473 119.914 0.000 0.000 2.999 711 V HA -0.002 4.119 4.120 0.002 0.000 0.307 711 V C -0.059 176.060 176.094 0.041 0.000 1.084 711 V CA 0.020 62.342 62.300 0.037 0.000 1.155 711 V CB 0.921 32.798 31.823 0.090 0.000 0.975 711 V HN 0.245 nan 8.190 nan 0.000 0.490 712 V N 6.959 126.878 119.914 0.009 0.000 2.383 712 V HA 0.389 4.510 4.120 0.002 0.000 0.275 712 V C -0.073 176.036 176.094 0.027 0.000 1.036 712 V CA -0.264 62.028 62.300 -0.013 0.000 0.889 712 V CB 1.418 33.171 31.823 -0.117 0.000 0.985 712 V HN 0.710 nan 8.190 nan 0.000 0.459 713 V N 5.725 125.648 119.914 0.014 0.000 2.555 713 V HA 0.710 4.831 4.120 0.002 0.000 0.302 713 V C -0.454 175.635 176.094 -0.008 0.000 1.038 713 V CA -0.545 61.706 62.300 -0.081 0.000 0.887 713 V CB 1.608 33.344 31.823 -0.144 0.000 0.991 713 V HN 1.181 nan 8.190 nan 0.000 0.434 714 H N 2.042 121.034 119.070 -0.130 0.000 3.014 714 H HA 0.819 5.377 4.556 0.002 0.000 0.337 714 H C -0.375 174.863 175.328 -0.150 0.000 1.320 714 H CA -0.206 55.770 56.048 -0.120 0.000 1.128 714 H CB 1.293 31.006 29.762 -0.083 0.000 1.862 714 H HN 0.744 nan 8.280 nan 0.000 0.536 715 C N -0.496 118.843 119.300 0.066 0.000 4.104 715 C HA 0.634 5.096 4.460 0.002 0.000 0.150 715 C C 1.816 176.898 174.990 0.154 0.000 3.163 715 C CA 0.392 59.394 59.018 -0.026 0.000 1.743 715 C CB 0.830 28.431 27.740 -0.232 0.000 3.735 715 C HN 0.809 nan 8.230 nan 0.000 0.447 716 S N 0.200 115.925 115.700 0.042 0.000 2.444 716 S HA 0.312 4.783 4.470 0.002 0.000 0.223 716 S C 1.735 176.453 174.600 0.197 0.000 1.054 716 S CA 1.242 59.519 58.200 0.128 0.000 0.947 716 S CB -0.484 62.810 63.200 0.158 0.000 0.850 716 S HN 1.039 nan 8.310 nan 0.000 0.527 717 A N -0.349 122.551 122.820 0.133 0.000 2.252 717 A HA 0.554 4.876 4.320 0.002 0.000 0.213 717 A C 1.434 179.038 177.584 0.033 0.000 1.188 717 A CA 0.760 52.893 52.037 0.160 0.000 0.863 717 A CB -0.595 18.390 19.000 -0.025 0.000 0.893 717 A HN 1.348 nan 8.150 nan 0.000 0.495 718 G N 0.195 108.982 108.800 -0.021 0.000 2.225 718 G HA2 -0.261 3.700 3.960 0.002 0.000 0.264 718 G HA3 -0.261 3.700 3.960 0.002 0.000 0.264 718 G C 0.578 175.438 174.900 -0.066 0.000 1.060 718 G CA 0.876 45.953 45.100 -0.039 0.000 0.833 718 G HN 1.372 nan 8.290 nan 0.000 0.498 719 I N -5.311 115.198 120.570 -0.103 0.000 4.676 719 I HA 0.391 4.562 4.170 0.002 0.000 0.306 719 I C 1.927 177.982 176.117 -0.102 0.000 1.178 719 I CA 0.757 62.010 61.300 -0.078 0.000 1.335 719 I CB -0.489 37.480 38.000 -0.052 0.000 1.541 719 I HN 0.096 nan 8.210 nan 0.000 0.469 720 G N 1.973 110.658 108.800 -0.192 0.000 2.616 720 G HA2 -0.090 3.871 3.960 0.002 0.000 0.215 720 G HA3 -0.090 3.871 3.960 0.002 0.000 0.215 720 G C 1.607 176.355 174.900 -0.253 0.000 1.284 720 G CA 0.907 45.869 45.100 -0.229 0.000 0.823 720 G HN 0.240 nan 8.290 nan 0.000 0.569 721 R N 0.294 120.513 120.500 -0.469 0.000 2.096 721 R HA -0.016 4.325 4.340 0.002 0.000 0.235 721 R C 3.063 179.095 176.300 -0.447 0.000 1.127 721 R CA 1.445 57.082 56.100 -0.772 0.000 0.968 721 R CB -0.303 29.163 30.300 -1.389 0.000 0.861 721 R HN 0.327 nan 8.270 nan 0.000 0.440 722 S N -0.065 115.454 115.700 -0.300 0.000 2.368 722 S HA -0.101 4.371 4.470 0.002 0.000 0.225 722 S C 2.045 176.628 174.600 -0.029 0.000 1.030 722 S CA 1.244 59.354 58.200 -0.149 0.000 0.999 722 S CB -0.448 62.668 63.200 -0.139 0.000 0.844 722 S HN 0.616 nan 8.310 nan 0.000 0.459 723 G N 1.616 110.391 108.800 -0.043 0.000 2.446 723 G HA2 -0.211 3.750 3.960 0.002 0.000 0.217 723 G HA3 -0.211 3.750 3.960 0.002 0.000 0.217 723 G C 1.467 176.400 174.900 0.055 0.000 1.168 723 G CA 1.552 46.657 45.100 0.008 0.000 0.771 723 G HN 0.490 nan 8.290 nan 0.000 0.551 724 T N 0.717 115.326 114.554 0.091 0.000 2.684 724 T HA -0.153 4.199 4.350 0.002 0.000 0.267 724 T C 1.932 176.784 174.700 0.253 0.000 1.036 724 T CA 1.273 63.480 62.100 0.179 0.000 1.148 724 T CB -0.324 68.729 68.868 0.309 0.000 0.863 724 T HN 0.272 nan 8.240 nan 0.000 0.436 725 F N 1.333 121.411 119.950 0.213 0.000 2.075 725 F HA -0.178 4.350 4.527 0.002 0.000 0.297 725 F C 2.434 178.258 175.800 0.040 0.000 1.113 725 F CA 1.056 59.234 58.000 0.297 0.000 1.218 725 F CB -0.608 38.494 39.000 0.169 0.000 0.984 725 F HN 0.165 nan 8.300 nan 0.000 0.472 726 C N 0.101 119.401 119.300 -0.000 0.000 2.446 726 C HA -0.092 4.370 4.460 0.002 0.000 0.277 726 C C 2.603 177.468 174.990 -0.207 0.000 1.275 726 C CA 0.618 59.410 59.018 -0.377 0.000 1.727 726 C CB -1.437 25.912 27.740 -0.653 0.000 2.010 726 C HN 0.647 nan 8.230 nan 0.000 0.486 727 L N 2.225 123.399 121.223 -0.082 0.000 1.989 727 L HA -0.117 4.224 4.340 0.002 0.000 0.211 727 L C 2.653 179.483 176.870 -0.067 0.000 1.071 727 L CA 2.487 57.306 54.840 -0.036 0.000 0.749 727 L CB -1.107 40.950 42.059 -0.004 0.000 0.890 727 L HN 0.290 nan 8.230 nan 0.000 0.431 728 A N -0.638 122.133 122.820 -0.081 0.000 1.859 728 A HA -0.355 3.967 4.320 0.002 0.000 0.217 728 A C 2.108 179.617 177.584 -0.125 0.000 1.198 728 A CA 2.257 54.236 52.037 -0.096 0.000 0.629 728 A CB -1.351 17.640 19.000 -0.015 0.000 0.830 728 A HN 0.624 nan 8.150 nan 0.000 0.446 729 D N -1.209 119.059 120.400 -0.221 0.000 2.137 729 D HA -0.154 4.487 4.640 0.002 0.000 0.189 729 D C 2.005 178.284 176.300 -0.035 0.000 0.998 729 D CA 2.422 56.307 54.000 -0.191 0.000 0.839 729 D CB -0.505 40.148 40.800 -0.246 0.000 0.962 729 D HN 0.370 nan 8.370 nan 0.000 0.446 730 T N -0.642 113.933 114.554 0.035 0.000 2.635 730 T HA -0.226 4.125 4.350 0.002 0.000 0.267 730 T C 2.285 177.000 174.700 0.024 0.000 1.040 730 T CA 1.576 63.722 62.100 0.076 0.000 1.156 730 T CB -0.882 68.056 68.868 0.117 0.000 0.863 730 T HN 0.313 nan 8.240 nan 0.000 0.430 731 C N 0.911 120.206 119.300 -0.008 0.000 2.413 731 C HA -0.019 4.442 4.460 0.002 0.000 0.276 731 C C 2.736 177.717 174.990 -0.015 0.000 1.236 731 C CA 0.463 59.467 59.018 -0.025 0.000 1.735 731 C CB -1.473 26.225 27.740 -0.070 0.000 2.031 731 C HN 0.527 nan 8.230 nan 0.000 0.474 732 L N 0.118 121.331 121.223 -0.018 0.000 2.187 732 L HA -0.181 4.160 4.340 0.002 0.000 0.213 732 L C 2.492 179.378 176.870 0.027 0.000 1.100 732 L CA 1.138 55.985 54.840 0.011 0.000 0.765 732 L CB -0.465 41.608 42.059 0.023 0.000 0.904 732 L HN 0.461 nan 8.230 nan 0.000 0.437 733 L N -0.898 120.337 121.223 0.020 0.000 2.023 733 L HA -0.214 4.128 4.340 0.002 0.000 0.205 733 L C 2.469 179.349 176.870 0.017 0.000 1.073 733 L CA 1.151 56.005 54.840 0.022 0.000 0.745 733 L CB -0.458 41.614 42.059 0.020 0.000 0.900 733 L HN 0.250 nan 8.230 nan 0.000 0.435 734 L N -0.671 120.562 121.223 0.015 0.000 2.129 734 L HA -0.277 4.064 4.340 0.002 0.000 0.212 734 L C 2.716 179.592 176.870 0.011 0.000 1.087 734 L CA 1.334 56.183 54.840 0.014 0.000 0.757 734 L CB -0.360 41.709 42.059 0.016 0.000 0.896 734 L HN 0.374 nan 8.230 nan 0.000 0.434 735 M N -1.171 118.435 119.600 0.009 0.000 2.123 735 M HA -0.195 4.286 4.480 0.002 0.000 0.263 735 M C 1.944 178.249 176.300 0.008 0.000 1.069 735 M CA 1.509 56.813 55.300 0.007 0.000 1.133 735 M CB -0.665 31.938 32.600 0.005 0.000 1.356 735 M HN 0.170 nan 8.290 nan 0.000 0.415 736 D N 0.941 121.349 120.400 0.013 0.000 2.144 736 D HA -0.169 4.472 4.640 0.002 0.000 0.199 736 D C 1.910 178.214 176.300 0.006 0.000 0.984 736 D CA 1.308 55.315 54.000 0.011 0.000 0.834 736 D CB 0.037 40.848 40.800 0.018 0.000 0.955 736 D HN 0.326 nan 8.370 nan 0.000 0.465 737 K N -0.097 120.307 120.400 0.007 0.000 2.098 737 K HA -0.016 4.306 4.320 0.002 0.000 0.203 737 K C 0.937 177.540 176.600 0.005 0.000 1.051 737 K CA 0.073 56.363 56.287 0.005 0.000 0.957 737 K CB 0.287 32.790 32.500 0.006 0.000 0.738 737 K HN -0.082 nan 8.250 nan 0.000 0.447 738 R N 0.288 120.792 120.500 0.007 0.000 2.784 738 R HA 0.003 4.345 4.340 0.002 0.000 0.266 738 R C 1.508 177.811 176.300 0.005 0.000 1.044 738 R CA 0.612 56.716 56.100 0.008 0.000 1.151 738 R CB 0.682 30.988 30.300 0.010 0.000 1.037 738 R HN 0.181 nan 8.270 nan 0.000 0.478 739 K N 1.303 121.706 120.400 0.006 0.000 2.097 739 K HA -0.119 4.203 4.320 0.002 0.000 0.205 739 K C 0.398 177.001 176.600 0.004 0.000 1.050 739 K CA 1.975 58.265 56.287 0.004 0.000 0.938 739 K CB -0.291 32.212 32.500 0.005 0.000 0.718 739 K HN 0.747 nan 8.250 nan 0.000 0.442 740 D N -1.330 119.074 120.400 0.006 0.000 2.620 740 D HA 0.266 4.908 4.640 0.002 0.000 0.252 740 D C -2.059 174.246 176.300 0.008 0.000 1.207 740 D CA -2.394 51.610 54.000 0.007 0.000 0.884 740 D CB 2.167 42.972 40.800 0.009 0.000 1.262 740 D HN -0.071 nan 8.370 nan 0.000 0.552 741 P HA -0.145 nan 4.420 nan 0.000 0.219 741 P C 0.733 178.040 177.300 0.012 0.000 1.146 741 P CA 0.794 63.898 63.100 0.006 0.000 0.808 741 P CB 0.240 31.939 31.700 -0.001 0.000 0.779 742 S N 0.302 116.012 115.700 0.017 0.000 2.489 742 S HA -0.056 4.415 4.470 0.002 0.000 0.228 742 S C 2.015 176.634 174.600 0.032 0.000 0.995 742 S CA 1.039 59.255 58.200 0.028 0.000 0.934 742 S CB -0.941 62.276 63.200 0.027 0.000 0.771 742 S HN 0.358 nan 8.310 nan 0.000 0.522 743 S N 1.150 116.865 115.700 0.025 0.000 2.515 743 S HA 0.042 4.514 4.470 0.002 0.000 0.231 743 S C 0.653 175.271 174.600 0.030 0.000 0.987 743 S CA -0.123 58.093 58.200 0.027 0.000 0.936 743 S CB -0.683 62.529 63.200 0.021 0.000 0.766 743 S HN 0.234 nan 8.310 nan 0.000 0.528 744 V N 3.429 123.359 119.914 0.026 0.000 2.421 744 V HA 0.186 4.307 4.120 0.002 0.000 0.271 744 V C 0.130 176.241 176.094 0.028 0.000 1.031 744 V CA -0.218 62.095 62.300 0.021 0.000 1.032 744 V CB 0.308 32.134 31.823 0.006 0.000 1.009 744 V HN 0.322 nan 8.190 nan 0.000 0.477 745 D N 5.389 125.810 120.400 0.036 0.000 2.479 745 D HA 0.224 4.865 4.640 0.002 0.000 0.218 745 D C 1.242 177.560 176.300 0.031 0.000 1.131 745 D CA -0.466 53.568 54.000 0.057 0.000 0.916 745 D CB 0.639 41.479 40.800 0.067 0.000 1.022 745 D HN 0.299 nan 8.370 nan 0.000 0.515 746 I N 2.953 123.499 120.570 -0.040 0.000 2.185 746 I HA -0.312 3.859 4.170 0.002 0.000 0.246 746 I C 2.180 178.289 176.117 -0.014 0.000 1.088 746 I CA 1.260 62.451 61.300 -0.181 0.000 1.347 746 I CB -0.714 36.809 38.000 -0.794 0.000 1.041 746 I HN 0.462 nan 8.210 nan 0.000 0.415 747 K N 1.597 122.078 120.400 0.134 0.000 2.026 747 K HA -0.233 4.088 4.320 0.002 0.000 0.208 747 K C 2.292 178.969 176.600 0.128 0.000 1.048 747 K CA 1.736 58.135 56.287 0.187 0.000 0.929 747 K CB -0.123 32.513 32.500 0.227 0.000 0.713 747 K HN 0.168 nan 8.250 nan 0.000 0.439 748 K N 0.386 120.848 120.400 0.103 0.000 2.063 748 K HA -0.126 4.195 4.320 0.002 0.000 0.208 748 K C 1.866 178.522 176.600 0.092 0.000 1.048 748 K CA 1.557 57.897 56.287 0.089 0.000 0.928 748 K CB -0.000 32.544 32.500 0.073 0.000 0.713 748 K HN 0.055 nan 8.250 nan 0.000 0.442 749 V N 1.586 121.548 119.914 0.080 0.000 2.343 749 V HA -0.246 3.876 4.120 0.002 0.000 0.247 749 V C 2.276 178.439 176.094 0.115 0.000 1.051 749 V CA 1.583 63.936 62.300 0.087 0.000 1.036 749 V CB -0.446 31.408 31.823 0.051 0.000 0.654 749 V HN 0.387 nan 8.190 nan 0.000 0.451 750 L N -0.574 120.713 121.223 0.107 0.000 2.141 750 L HA -0.081 4.260 4.340 0.002 0.000 0.209 750 L C 2.102 179.066 176.870 0.156 0.000 1.094 750 L CA 1.745 56.664 54.840 0.132 0.000 0.763 750 L CB -0.483 41.660 42.059 0.140 0.000 0.908 750 L HN 0.194 nan 8.230 nan 0.000 0.437 751 L N -0.655 120.652 121.223 0.141 0.000 2.109 751 L HA -0.163 4.178 4.340 0.002 0.000 0.207 751 L C 2.570 179.530 176.870 0.150 0.000 1.086 751 L CA 1.440 56.361 54.840 0.134 0.000 0.760 751 L CB -0.440 41.681 42.059 0.105 0.000 0.910 751 L HN 0.444 nan 8.230 nan 0.000 0.437 752 E N 0.251 120.546 120.200 0.158 0.000 2.072 752 E HA -0.283 4.069 4.350 0.002 0.000 0.191 752 E C 2.293 179.075 176.600 0.304 0.000 0.985 752 E CA 1.228 57.741 56.400 0.188 0.000 0.801 752 E CB -0.004 29.808 29.700 0.186 0.000 0.750 752 E HN 0.376 nan 8.360 nan 0.000 0.452 753 M N 0.291 120.085 119.600 0.323 0.000 2.099 753 M HA -0.118 4.363 4.480 0.002 0.000 0.262 753 M C 2.131 178.707 176.300 0.459 0.000 1.067 753 M CA 1.417 56.973 55.300 0.426 0.000 1.124 753 M CB 0.071 32.826 32.600 0.258 0.000 1.353 753 M HN -0.055 nan 8.290 nan 0.000 0.410 754 R N -0.032 120.655 120.500 0.310 0.000 2.341 754 R HA -0.113 4.229 4.340 0.002 0.000 0.213 754 R C 1.817 178.353 176.300 0.394 0.000 1.082 754 R CA 0.743 57.028 56.100 0.308 0.000 1.017 754 R CB -0.211 30.227 30.300 0.230 0.000 0.860 754 R HN 0.473 nan 8.270 nan 0.000 0.473 755 K N -0.253 120.315 120.400 0.280 0.000 2.148 755 K HA -0.109 4.212 4.320 0.002 0.000 0.204 755 K C 1.378 178.135 176.600 0.262 0.000 1.050 755 K CA 1.295 57.692 56.287 0.183 0.000 0.942 755 K CB 0.021 32.380 32.500 -0.235 0.000 0.724 755 K HN 0.151 nan 8.250 nan 0.000 0.446 756 F N -0.049 120.162 119.950 0.436 0.000 2.473 756 F HA 0.137 4.665 4.527 0.002 0.000 0.294 756 F C 1.072 177.012 175.800 0.233 0.000 1.103 756 F CA 0.096 58.286 58.000 0.316 0.000 1.442 756 F CB 0.292 39.379 39.000 0.145 0.000 1.097 756 F HN -0.182 nan 8.300 nan 0.000 0.547 757 R N 0.707 121.404 120.500 0.328 0.000 2.604 757 R HA 0.409 4.751 4.340 0.002 0.000 0.270 757 R C -0.755 175.499 176.300 -0.076 0.000 1.052 757 R CA -0.798 55.233 56.100 -0.117 0.000 0.902 757 R CB 1.643 31.924 30.300 -0.031 0.000 1.233 757 R HN 0.095 nan 8.270 nan 0.000 0.455 758 M N 1.337 120.719 119.600 -0.364 0.000 2.198 758 M HA 0.378 4.859 4.480 0.002 0.000 0.315 758 M C 0.947 177.253 176.300 0.011 0.000 1.134 758 M CA 0.961 56.226 55.300 -0.057 0.000 1.171 758 M CB 0.597 33.143 32.600 -0.089 0.000 1.413 758 M HN 0.764 nan 8.290 nan 0.000 0.467 759 G N 1.981 110.824 108.800 0.071 0.000 2.361 759 G HA2 -0.223 3.738 3.960 0.002 0.000 0.294 759 G HA3 -0.223 3.738 3.960 0.002 0.000 0.294 759 G C -0.111 174.841 174.900 0.086 0.000 1.004 759 G CA 0.238 45.386 45.100 0.079 0.000 0.870 759 G HN 0.750 nan 8.290 nan 0.000 0.510 760 L N -0.115 121.166 121.223 0.097 0.000 2.477 760 L HA 0.392 4.733 4.340 0.002 0.000 0.272 760 L C 1.270 178.223 176.870 0.137 0.000 1.157 760 L CA -0.073 54.821 54.840 0.089 0.000 0.889 760 L CB 0.187 42.307 42.059 0.102 0.000 1.158 760 L HN 0.342 nan 8.230 nan 0.000 0.473 761 I N 3.161 123.792 120.570 0.103 0.000 7.870 761 I HA -0.231 3.940 4.170 0.002 0.000 0.126 761 I C 0.584 176.829 176.117 0.214 0.000 1.847 761 I CA 0.090 61.467 61.300 0.128 0.000 2.037 761 I CB -0.134 37.972 38.000 0.176 0.000 3.728 761 I HN 0.799 nan 8.210 nan 0.000 0.169 762 Q N 2.724 122.598 119.800 0.123 0.000 2.384 762 Q HA 0.130 4.471 4.340 0.002 0.000 0.207 762 Q C 0.899 176.998 176.000 0.164 0.000 0.904 762 Q CA 1.356 57.304 55.803 0.242 0.000 0.933 762 Q CB 0.955 29.829 28.738 0.227 0.000 1.077 762 Q HN 0.859 nan 8.270 nan 0.000 0.522 763 T N -4.808 109.646 114.554 -0.166 0.000 2.887 763 T HA 0.662 5.013 4.350 0.002 0.000 0.292 763 T C 0.779 174.981 174.700 -0.830 0.000 1.087 763 T CA -0.195 61.688 62.100 -0.361 0.000 1.009 763 T CB 1.752 70.575 68.868 -0.075 0.000 1.203 763 T HN -0.092 nan 8.240 nan 0.000 0.518 764 A N 0.265 122.702 122.820 -0.638 0.000 2.014 764 A HA 0.054 4.376 4.320 0.002 0.000 0.218 764 A C 1.869 179.254 177.584 -0.331 0.000 1.163 764 A CA 1.737 53.505 52.037 -0.449 0.000 0.652 764 A CB -1.032 17.918 19.000 -0.084 0.000 0.808 764 A HN 0.903 nan 8.150 nan 0.000 0.449 765 D N -0.862 119.380 120.400 -0.264 0.000 2.277 765 D HA -0.058 4.583 4.640 0.002 0.000 0.208 765 D C 2.062 178.248 176.300 -0.190 0.000 0.962 765 D CA 0.842 54.692 54.000 -0.249 0.000 0.865 765 D CB -0.105 40.606 40.800 -0.149 0.000 0.939 765 D HN 0.548 nan 8.370 nan 0.000 0.510 766 Q N -0.533 119.176 119.800 -0.151 0.000 2.123 766 Q HA -0.082 4.260 4.340 0.002 0.000 0.199 766 Q C 2.020 178.002 176.000 -0.030 0.000 0.966 766 Q CA 0.595 56.376 55.803 -0.037 0.000 0.845 766 Q CB 0.024 28.761 28.738 -0.001 0.000 0.907 766 Q HN 0.264 nan 8.270 nan 0.000 0.439 767 L N 1.016 122.171 121.223 -0.113 0.000 2.046 767 L HA -0.187 4.154 4.340 0.002 0.000 0.208 767 L C 2.391 179.215 176.870 -0.076 0.000 1.077 767 L CA 1.778 56.630 54.840 0.020 0.000 0.747 767 L CB -0.409 41.712 42.059 0.103 0.000 0.896 767 L HN 0.044 nan 8.230 nan 0.000 0.432 768 R N -1.217 118.940 120.500 -0.572 0.000 2.070 768 R HA -0.266 4.076 4.340 0.002 0.000 0.232 768 R C 2.377 178.469 176.300 -0.347 0.000 1.138 768 R CA 2.188 57.585 56.100 -1.172 0.000 0.936 768 R CB -0.885 28.528 30.300 -1.478 0.000 0.839 768 R HN 0.375 nan 8.270 nan 0.000 0.429 769 F N 1.669 121.413 119.950 -0.342 0.000 2.192 769 F HA -0.217 4.311 4.527 0.002 0.000 0.301 769 F C 2.073 177.717 175.800 -0.261 0.000 1.079 769 F CA 1.853 59.686 58.000 -0.277 0.000 1.303 769 F CB -0.171 38.634 39.000 -0.326 0.000 1.024 769 F HN 0.074 nan 8.300 nan 0.000 0.494 770 S N -0.294 115.338 115.700 -0.112 0.000 2.349 770 S HA -0.233 4.238 4.470 0.002 0.000 0.216 770 S C 1.722 176.220 174.600 -0.170 0.000 1.033 770 S CA 1.563 59.672 58.200 -0.153 0.000 1.021 770 S CB -1.032 62.155 63.200 -0.022 0.000 0.968 770 S HN 0.447 nan 8.310 nan 0.000 0.426 771 Y N 1.800 122.042 120.300 -0.097 0.000 2.030 771 Y HA -0.248 4.304 4.550 0.003 0.000 0.272 771 Y C 2.492 178.318 175.900 -0.125 0.000 1.185 771 Y CA 1.635 59.766 58.100 0.053 0.000 1.120 771 Y CB -0.802 37.897 38.460 0.398 0.000 0.955 771 Y HN 0.215 nan 8.280 nan 0.000 0.495 772 L N 0.446 121.619 121.223 -0.083 0.000 1.990 772 L HA -0.239 4.103 4.340 0.002 0.000 0.213 772 L C 2.275 178.856 176.870 -0.482 0.000 1.072 772 L CA 2.245 56.782 54.840 -0.505 0.000 0.755 772 L CB -1.584 40.197 42.059 -0.463 0.000 0.889 772 L HN 0.169 nan 8.230 nan 0.000 0.432 773 A N -0.488 121.974 122.820 -0.597 0.000 1.859 773 A HA -0.192 4.129 4.320 0.002 0.000 0.217 773 A C 2.289 179.719 177.584 -0.257 0.000 1.198 773 A CA 2.865 54.581 52.037 -0.535 0.000 0.629 773 A CB -1.383 17.166 19.000 -0.752 0.000 0.830 773 A HN 0.402 nan 8.150 nan 0.000 0.446 774 V N 0.081 119.869 119.914 -0.210 0.000 2.282 774 V HA -0.322 3.800 4.120 0.002 0.000 0.249 774 V C 2.425 178.462 176.094 -0.095 0.000 1.057 774 V CA 2.191 64.419 62.300 -0.121 0.000 1.032 774 V CB -0.818 30.930 31.823 -0.125 0.000 0.645 774 V HN 0.570 nan 8.190 nan 0.000 0.447 775 I N -0.284 120.210 120.570 -0.127 0.000 2.163 775 I HA -0.287 3.884 4.170 0.002 0.000 0.243 775 I C 2.673 178.703 176.117 -0.144 0.000 1.085 775 I CA 2.135 63.358 61.300 -0.127 0.000 1.347 775 I CB -0.203 37.686 38.000 -0.185 0.000 1.044 775 I HN 0.434 nan 8.210 nan 0.000 0.408 776 E N 0.628 120.730 120.200 -0.164 0.000 2.015 776 E HA -0.186 4.166 4.350 0.002 0.000 0.191 776 E C 2.199 178.776 176.600 -0.038 0.000 0.991 776 E CA 1.297 57.626 56.400 -0.119 0.000 0.802 776 E CB -0.350 29.297 29.700 -0.088 0.000 0.759 776 E HN 0.473 nan 8.360 nan 0.000 0.447 777 G N 0.284 109.151 108.800 0.111 0.000 2.501 777 G HA2 -0.260 3.702 3.960 0.002 0.000 0.220 777 G HA3 -0.260 3.702 3.960 0.002 0.000 0.220 777 G C 1.528 176.556 174.900 0.214 0.000 1.114 777 G CA 0.797 46.118 45.100 0.368 0.000 0.757 777 G HN 0.407 nan 8.290 nan 0.000 0.559 778 A N 0.760 123.586 122.820 0.010 0.000 2.019 778 A HA 0.006 4.327 4.320 0.002 0.000 0.219 778 A C 2.261 179.756 177.584 -0.147 0.000 1.164 778 A CA 1.839 53.854 52.037 -0.036 0.000 0.644 778 A CB -0.277 18.689 19.000 -0.058 0.000 0.805 778 A HN 0.421 nan 8.150 nan 0.000 0.449 779 K N -0.689 119.492 120.400 -0.364 0.000 1.977 779 K HA -0.209 4.112 4.320 0.002 0.000 0.218 779 K C 1.624 177.924 176.600 -0.500 0.000 1.051 779 K CA 2.050 57.999 56.287 -0.563 0.000 0.953 779 K CB -0.663 31.263 32.500 -0.956 0.000 0.727 779 K HN 0.511 nan 8.250 nan 0.000 0.445 780 F N 1.447 121.388 119.950 -0.015 0.000 2.095 780 F HA -0.225 4.303 4.527 0.002 0.000 0.298 780 F C 2.346 178.096 175.800 -0.082 0.000 1.104 780 F CA 0.779 58.740 58.000 -0.064 0.000 1.232 780 F CB -0.793 38.137 39.000 -0.116 0.000 0.987 780 F HN -0.018 nan 8.300 nan 0.000 0.475 781 I N 1.374 122.010 120.570 0.110 0.000 2.052 781 I HA -0.321 3.850 4.170 0.002 0.000 0.235 781 I C 2.508 178.630 176.117 0.009 0.000 1.046 781 I CA 2.126 63.457 61.300 0.052 0.000 1.308 781 I CB -1.450 36.615 38.000 0.109 0.000 1.031 781 I HN 0.315 nan 8.210 nan 0.000 0.395 782 M N 0.249 119.844 119.600 -0.009 0.000 2.700 782 M HA 0.242 4.724 4.480 0.002 0.000 0.249 782 M C 0.845 177.126 176.300 -0.031 0.000 1.082 782 M CA 0.956 56.244 55.300 -0.021 0.000 1.077 782 M CB -0.850 31.732 32.600 -0.030 0.000 1.477 782 M HN 0.322 nan 8.290 nan 0.000 0.529 783 G N 0.000 108.781 108.800 -0.031 0.000 5.446 783 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 783 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 783 G CA 0.000 45.083 45.100 -0.029 0.000 0.502 783 G HN 0.000 nan 8.290 nan 0.000 0.925