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_B 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 0.000 176.628 176.600 0.047 0.000 0.988 497 K CA 0.000 56.302 56.287 0.024 0.000 0.838 497 K CB 0.000 32.501 32.500 0.002 0.000 1.064 498 L N 3.183 124.430 121.223 0.041 0.000 2.962 498 L HA 0.141 4.482 4.340 0.001 0.000 0.263 498 L C 1.317 178.246 176.870 0.098 0.000 1.152 498 L CA 0.901 55.782 54.840 0.068 0.000 0.954 498 L CB -0.859 41.225 42.059 0.041 0.000 1.213 498 L HN 0.470 nan 8.230 nan 0.000 0.422 499 E N -1.114 119.144 120.200 0.096 0.000 2.512 499 E HA -0.112 4.239 4.350 0.001 0.000 0.195 499 E C 1.572 178.233 176.600 0.102 0.000 1.083 499 E CA 0.092 56.537 56.400 0.075 0.000 0.873 499 E CB -0.004 29.729 29.700 0.056 0.000 0.897 499 E HN 0.518 nan 8.360 nan 0.000 0.514 500 F N 1.542 121.479 119.950 -0.022 0.000 2.187 500 F HA -0.174 4.354 4.527 0.001 0.000 0.295 500 F C 2.609 178.399 175.800 -0.018 0.000 1.091 500 F CA 1.508 59.489 58.000 -0.032 0.000 1.308 500 F CB -0.283 38.682 39.000 -0.057 0.000 1.030 500 F HN 0.051 nan 8.300 nan 0.000 0.487 501 M N 0.165 119.829 119.600 0.107 0.000 2.089 501 M HA -0.283 4.198 4.480 0.001 0.000 0.257 501 M C 2.041 178.313 176.300 -0.046 0.000 1.071 501 M CA 2.707 58.023 55.300 0.027 0.000 1.096 501 M CB -1.792 30.838 32.600 0.051 0.000 1.330 501 M HN 0.429 nan 8.290 nan 0.000 0.403 502 E N 0.051 120.236 120.200 -0.025 0.000 2.055 502 E HA -0.278 4.073 4.350 0.001 0.000 0.209 502 E C 2.098 178.663 176.600 -0.059 0.000 1.036 502 E CA 2.039 58.422 56.400 -0.029 0.000 0.849 502 E CB -0.523 29.172 29.700 -0.009 0.000 0.767 502 E HN 0.845 nan 8.360 nan 0.000 0.461 503 M N 0.714 120.245 119.600 -0.115 0.000 2.073 503 M HA -0.246 4.235 4.480 0.001 0.000 0.258 503 M C 2.248 178.485 176.300 -0.106 0.000 1.070 503 M CA 1.829 57.054 55.300 -0.126 0.000 1.103 503 M CB -0.595 31.863 32.600 -0.237 0.000 1.321 503 M HN 0.105 nan 8.290 nan 0.000 0.405 504 E N 0.320 120.367 120.200 -0.256 0.000 2.171 504 E HA -0.247 4.104 4.350 0.001 0.000 0.197 504 E C 1.955 178.571 176.600 0.027 0.000 0.997 504 E CA 1.290 57.604 56.400 -0.142 0.000 0.810 504 E CB -0.390 29.180 29.700 -0.217 0.000 0.738 504 E HN 0.501 nan 8.360 nan 0.000 0.467 505 K N 1.619 122.011 120.400 -0.013 0.000 1.985 505 K HA -0.248 4.072 4.320 0.001 0.000 0.210 505 K C 2.235 178.842 176.600 0.012 0.000 1.047 505 K CA 1.651 57.939 56.287 0.003 0.000 0.932 505 K CB -0.073 32.420 32.500 -0.013 0.000 0.716 505 K HN 0.047 nan 8.250 nan 0.000 0.439 506 E N -0.210 120.001 120.200 0.017 0.000 2.049 506 E HA -0.254 4.097 4.350 0.001 0.000 0.198 506 E C 1.956 178.564 176.600 0.014 0.000 1.007 506 E CA 1.725 58.133 56.400 0.015 0.000 0.809 506 E CB -0.299 29.434 29.700 0.055 0.000 0.749 506 E HN 0.430 nan 8.360 nan 0.000 0.450 507 F N 1.485 121.414 119.950 -0.034 0.000 2.161 507 F HA -0.192 4.336 4.527 0.001 0.000 0.300 507 F C 2.220 177.978 175.800 -0.070 0.000 1.089 507 F CA 1.720 59.713 58.000 -0.011 0.000 1.282 507 F CB 0.004 39.054 39.000 0.082 0.000 1.010 507 F HN 0.038 nan 8.300 nan 0.000 0.485 508 E N 0.282 120.529 120.200 0.079 0.000 2.106 508 E HA -0.168 4.183 4.350 0.001 0.000 0.192 508 E C 2.157 178.650 176.600 -0.179 0.000 0.984 508 E CA 1.111 57.497 56.400 -0.024 0.000 0.806 508 E CB -0.360 29.372 29.700 0.054 0.000 0.750 508 E HN 0.435 nan 8.360 nan 0.000 0.458 509 Q N 0.063 119.757 119.800 -0.175 0.000 2.077 509 Q HA -0.156 4.185 4.340 0.001 0.000 0.206 509 Q C 2.475 178.268 176.000 -0.344 0.000 0.989 509 Q CA 1.422 57.102 55.803 -0.205 0.000 0.853 509 Q CB -0.444 28.194 28.738 -0.167 0.000 0.907 509 Q HN 0.435 nan 8.270 nan 0.000 0.418 510 I N 0.650 120.896 120.570 -0.540 0.000 2.315 510 I HA -0.236 3.935 4.170 0.001 0.000 0.248 510 I C 1.906 177.454 176.117 -0.948 0.000 1.117 510 I CA 1.105 61.863 61.300 -0.902 0.000 1.404 510 I CB -0.286 36.816 38.000 -1.498 0.000 1.071 510 I HN 0.070 nan 8.210 nan 0.000 0.419 511 D N 1.209 121.165 120.400 -0.739 0.000 2.084 511 D HA -0.135 4.506 4.640 0.001 0.000 0.196 511 D C 2.229 178.402 176.300 -0.213 0.000 0.985 511 D CA 1.302 55.066 54.000 -0.393 0.000 0.826 511 D CB 0.050 40.676 40.800 -0.290 0.000 0.978 511 D HN 0.146 nan 8.370 nan 0.000 0.456 512 K N -0.031 120.259 120.400 -0.183 0.000 2.032 512 K HA -0.077 4.244 4.320 0.001 0.000 0.209 512 K C 1.829 178.354 176.600 -0.124 0.000 1.048 512 K CA 1.464 57.684 56.287 -0.112 0.000 0.927 512 K CB -0.206 32.240 32.500 -0.090 0.000 0.712 512 K HN 0.140 nan 8.250 nan 0.000 0.441 513 S N 0.194 115.787 115.700 -0.180 0.000 2.710 513 S HA 0.110 4.581 4.470 0.001 0.000 0.224 513 S C 1.070 175.560 174.600 -0.182 0.000 0.948 513 S CA 0.079 58.182 58.200 -0.163 0.000 0.949 513 S CB -0.084 63.014 63.200 -0.170 0.000 0.778 513 S HN 0.397 nan 8.310 nan 0.000 0.498 514 G N 1.468 110.151 108.800 -0.195 0.000 2.447 514 G HA2 -0.274 3.687 3.960 0.001 0.000 0.293 514 G HA3 -0.274 3.687 3.960 0.001 0.000 0.293 514 G C 0.535 175.337 174.900 -0.163 0.000 0.894 514 G CA 0.575 45.590 45.100 -0.142 0.000 1.066 514 G HN 0.625 nan 8.290 nan 0.000 0.503 515 S N -1.492 114.004 115.700 -0.340 0.000 2.603 515 S HA 0.090 4.561 4.470 0.001 0.000 0.220 515 S C 1.749 176.235 174.600 -0.189 0.000 0.967 515 S CA 0.497 58.540 58.200 -0.262 0.000 0.920 515 S CB -0.118 62.890 63.200 -0.319 0.000 0.773 515 S HN 0.696 nan 8.310 nan 0.000 0.529 516 W N 2.352 123.582 121.300 -0.116 0.000 2.311 516 W HA -0.260 4.401 4.660 0.001 0.000 0.326 516 W C 2.752 179.273 176.519 0.003 0.000 1.239 516 W CA 0.938 58.223 57.345 -0.099 0.000 1.258 516 W CB -0.581 28.804 29.460 -0.126 0.000 1.165 516 W HN 0.304 nan 8.180 nan 0.000 0.466 517 A N 0.471 123.457 122.820 0.276 0.000 1.948 517 A HA -0.176 4.145 4.320 0.001 0.000 0.220 517 A C 1.967 179.669 177.584 0.197 0.000 1.177 517 A CA 2.533 54.706 52.037 0.227 0.000 0.636 517 A CB -1.307 17.783 19.000 0.150 0.000 0.815 517 A HN 0.287 nan 8.150 nan 0.000 0.449 518 A N 0.112 123.002 122.820 0.117 0.000 1.858 518 A HA -0.083 4.237 4.320 0.001 0.000 0.216 518 A C 2.117 179.756 177.584 0.091 0.000 1.190 518 A CA 1.525 53.602 52.037 0.066 0.000 0.617 518 A CB -0.680 18.323 19.000 0.005 0.000 0.827 518 A HN 0.495 nan 8.150 nan 0.000 0.443 519 I N -1.907 118.728 120.570 0.107 0.000 2.118 519 I HA -0.308 3.863 4.170 0.001 0.000 0.241 519 I C 2.502 178.750 176.117 0.219 0.000 1.070 519 I CA 2.029 63.413 61.300 0.139 0.000 1.327 519 I CB -0.572 37.515 38.000 0.145 0.000 1.034 519 I HN 0.514 nan 8.210 nan 0.000 0.405 520 Y N 1.760 122.149 120.300 0.150 0.000 2.151 520 Y HA -0.351 4.200 4.550 0.001 0.000 0.284 520 Y C 2.641 178.612 175.900 0.118 0.000 1.166 520 Y CA 1.933 60.121 58.100 0.146 0.000 1.163 520 Y CB -0.480 38.064 38.460 0.140 0.000 0.974 520 Y HN 0.147 nan 8.280 nan 0.000 0.511 521 Q N 0.475 120.305 119.800 0.050 0.000 2.124 521 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 521 Q C 1.783 177.773 176.000 -0.016 0.000 0.977 521 Q CA 1.897 57.671 55.803 -0.049 0.000 0.850 521 Q CB -0.367 28.382 28.738 0.017 0.000 0.901 521 Q HN 0.568 nan 8.270 nan 0.000 0.429 522 D N -0.448 119.969 120.400 0.029 0.000 2.144 522 D HA -0.151 4.490 4.640 0.001 0.000 0.199 522 D C 1.795 178.135 176.300 0.067 0.000 0.984 522 D CA 1.021 55.054 54.000 0.055 0.000 0.834 522 D CB -0.122 40.711 40.800 0.055 0.000 0.955 522 D HN 0.346 nan 8.370 nan 0.000 0.465 523 I N 0.489 121.081 120.570 0.037 0.000 2.193 523 I HA -0.166 4.005 4.170 0.001 0.000 0.240 523 I C 2.665 178.756 176.117 -0.043 0.000 1.084 523 I CA 0.656 61.972 61.300 0.027 0.000 1.365 523 I CB -0.196 37.849 38.000 0.074 0.000 1.064 523 I HN -0.162 nan 8.210 nan 0.000 0.410 524 R N -0.281 120.110 120.500 -0.181 0.000 2.139 524 R HA -0.234 4.107 4.340 0.001 0.000 0.243 524 R C 2.400 178.666 176.300 -0.058 0.000 1.145 524 R CA 1.404 57.383 56.100 -0.202 0.000 0.976 524 R CB -0.356 29.712 30.300 -0.386 0.000 0.866 524 R HN 0.486 nan 8.270 nan 0.000 0.449 525 H N -0.190 118.824 119.070 -0.094 0.000 2.525 525 H HA 0.044 4.601 4.556 0.002 0.000 0.275 525 H C 0.944 176.246 175.328 -0.043 0.000 0.984 525 H CA 0.821 56.835 56.048 -0.057 0.000 1.264 525 H CB 0.570 30.304 29.762 -0.046 0.000 1.432 525 H HN 0.289 nan 8.280 nan 0.000 0.549 526 E N 0.435 120.615 120.200 -0.034 0.000 2.385 526 E HA 0.156 4.507 4.350 0.001 0.000 0.194 526 E C 0.729 177.281 176.600 -0.079 0.000 1.013 526 E CA -0.019 56.347 56.400 -0.056 0.000 0.866 526 E CB 0.430 30.144 29.700 0.022 0.000 0.832 526 E HN 0.328 nan 8.360 nan 0.000 0.500 527 A N 1.572 124.355 122.820 -0.062 0.000 2.587 527 A HA 0.016 4.337 4.320 0.001 0.000 0.233 527 A C 0.472 177.999 177.584 -0.096 0.000 1.049 527 A CA 0.160 52.178 52.037 -0.030 0.000 0.754 527 A CB 0.259 19.264 19.000 0.007 0.000 0.977 527 A HN 0.052 nan 8.150 nan 0.000 0.509 528 S N 0.372 116.017 115.700 -0.092 0.000 2.584 528 S HA 0.340 4.811 4.470 0.001 0.000 0.270 528 S C -0.096 174.271 174.600 -0.389 0.000 1.346 528 S CA 0.122 58.122 58.200 -0.334 0.000 1.018 528 S CB 0.627 63.634 63.200 -0.321 0.000 0.899 528 S HN 0.762 nan 8.310 nan 0.000 0.542 529 D N 0.733 120.687 120.400 -0.744 0.000 2.386 529 D HA 0.431 5.072 4.640 0.001 0.000 0.247 529 D C -1.297 174.539 176.300 -0.773 0.000 1.336 529 D CA -0.350 53.347 54.000 -0.505 0.000 0.976 529 D CB 0.124 40.778 40.800 -0.244 0.000 1.257 529 D HN 0.227 nan 8.370 nan 0.000 0.570 530 F N 2.637 122.237 119.950 -0.584 0.000 2.509 530 F HA 0.639 5.167 4.527 0.002 0.000 0.334 530 F C -1.542 174.155 175.800 -0.171 0.000 1.060 530 F CA -1.846 55.847 58.000 -0.512 0.000 0.997 530 F CB 1.080 39.595 39.000 -0.807 0.000 1.271 530 F HN 0.101 nan 8.300 nan 0.000 0.488 531 P HA 0.184 nan 4.420 nan 0.000 0.284 531 P C -1.042 176.440 177.300 0.302 0.000 1.253 531 P CA -0.374 62.850 63.100 0.206 0.000 0.800 531 P CB 1.155 32.932 31.700 0.129 0.000 0.961 532 C N 3.595 123.053 119.300 0.264 0.000 2.987 532 C HA 0.274 4.735 4.460 0.001 0.000 0.262 532 C C 2.003 177.074 174.990 0.133 0.000 1.531 532 C CA -0.601 58.559 59.018 0.237 0.000 1.571 532 C CB -0.965 26.912 27.740 0.228 0.000 2.381 532 C HN 0.592 nan 8.230 nan 0.000 0.519 533 R N 0.861 121.427 120.500 0.109 0.000 2.075 533 R HA -0.083 4.258 4.340 0.001 0.000 0.230 533 R C 2.027 178.336 176.300 0.014 0.000 1.140 533 R CA 1.265 57.398 56.100 0.056 0.000 0.928 533 R CB -0.867 29.465 30.300 0.053 0.000 0.834 533 R HN 0.476 nan 8.270 nan 0.000 0.429 534 V N 1.903 121.833 119.914 0.027 0.000 2.370 534 V HA -0.298 3.823 4.120 0.001 0.000 0.252 534 V C 2.639 178.600 176.094 -0.222 0.000 1.068 534 V CA 2.042 64.322 62.300 -0.032 0.000 1.061 534 V CB -1.033 30.834 31.823 0.073 0.000 0.656 534 V HN 0.416 nan 8.190 nan 0.000 0.455 535 A N -0.731 121.999 122.820 -0.151 0.000 1.978 535 A HA -0.190 4.131 4.320 0.001 0.000 0.220 535 A C 2.169 179.584 177.584 -0.281 0.000 1.170 535 A CA 1.579 53.419 52.037 -0.328 0.000 0.636 535 A CB -0.323 18.707 19.000 0.050 0.000 0.810 535 A HN 0.429 nan 8.150 nan 0.000 0.448 536 K N -0.658 119.663 120.400 -0.131 0.000 2.426 536 K HA 0.177 4.498 4.320 0.001 0.000 0.193 536 K C -0.064 176.483 176.600 -0.087 0.000 1.028 536 K CA -0.171 56.068 56.287 -0.080 0.000 1.047 536 K CB -0.424 32.065 32.500 -0.018 0.000 0.821 536 K HN 0.314 nan 8.250 nan 0.000 0.513 537 L N 1.715 122.865 121.223 -0.122 0.000 2.506 537 L HA 0.004 4.345 4.340 0.001 0.000 0.281 537 L C -1.258 175.560 176.870 -0.086 0.000 1.228 537 L CA -1.081 53.704 54.840 -0.091 0.000 0.850 537 L CB -0.243 41.757 42.059 -0.098 0.000 1.110 537 L HN -0.057 nan 8.230 nan 0.000 0.496 538 P HA -0.185 nan 4.420 nan 0.000 0.215 538 P C 1.089 178.368 177.300 -0.034 0.000 1.153 538 P CA 1.521 64.601 63.100 -0.034 0.000 0.853 538 P CB 0.058 31.747 31.700 -0.018 0.000 0.788 539 K N -1.159 119.220 120.400 -0.035 0.000 2.280 539 K HA -0.057 4.264 4.320 0.001 0.000 0.202 539 K C 0.938 177.523 176.600 -0.025 0.000 1.047 539 K CA 1.210 57.486 56.287 -0.019 0.000 0.942 539 K CB -0.672 31.822 32.500 -0.010 0.000 0.739 539 K HN 0.125 nan 8.250 nan 0.000 0.457 540 N N 1.187 119.832 118.700 -0.092 0.000 2.230 540 N HA 0.029 4.770 4.740 0.001 0.000 0.202 540 N C 0.887 176.345 175.510 -0.087 0.000 1.119 540 N CA 0.172 53.140 53.050 -0.137 0.000 0.851 540 N CB 0.635 38.809 38.487 -0.521 0.000 0.990 540 N HN 0.287 nan 8.380 nan 0.000 0.497 541 K N 1.589 121.958 120.400 -0.051 0.000 2.103 541 K HA -0.090 4.231 4.320 0.001 0.000 0.207 541 K C 1.136 177.739 176.600 0.006 0.000 1.048 541 K CA 1.279 57.551 56.287 -0.024 0.000 0.930 541 K CB 0.010 32.501 32.500 -0.015 0.000 0.716 541 K HN 0.426 nan 8.250 nan 0.000 0.444 542 N N -0.932 117.781 118.700 0.021 0.000 2.314 542 N HA -0.005 4.736 4.740 0.001 0.000 0.200 542 N C 0.924 176.469 175.510 0.059 0.000 1.135 542 N CA -0.228 52.840 53.050 0.029 0.000 0.835 542 N CB 0.337 38.839 38.487 0.025 0.000 0.989 542 N HN 0.025 nan 8.380 nan 0.000 0.478 543 R N -0.210 120.355 120.500 0.109 0.000 2.362 543 R HA 0.193 4.534 4.340 0.001 0.000 0.227 543 R C -0.442 175.967 176.300 0.182 0.000 0.905 543 R CA -0.094 56.118 56.100 0.187 0.000 1.067 543 R CB 0.190 30.696 30.300 0.343 0.000 1.078 543 R HN 0.263 nan 8.270 nan 0.000 0.516 544 N N 1.088 119.861 118.700 0.123 0.000 2.408 544 N HA 0.102 4.843 4.740 0.001 0.000 0.280 544 N C 0.182 175.677 175.510 -0.025 0.000 1.002 544 N CA -0.154 52.952 53.050 0.093 0.000 0.907 544 N CB 2.081 40.635 38.487 0.112 0.000 1.161 544 N HN 0.030 nan 8.380 nan 0.000 0.488 545 R N 2.046 122.473 120.500 -0.121 0.000 2.189 545 R HA 0.016 4.357 4.340 0.001 0.000 0.218 545 R C -0.425 175.489 176.300 -0.643 0.000 1.074 545 R CA 1.175 57.030 56.100 -0.409 0.000 0.991 545 R CB 0.266 30.241 30.300 -0.542 0.000 0.883 545 R HN 0.543 nan 8.270 nan 0.000 0.457 546 Y N -0.778 119.545 120.300 0.038 0.000 2.457 546 Y HA 0.230 4.781 4.550 0.001 0.000 0.343 546 Y C 0.566 176.490 175.900 0.040 0.000 0.994 546 Y CA -1.181 56.943 58.100 0.039 0.000 1.031 546 Y CB 1.505 39.989 38.460 0.040 0.000 1.246 546 Y HN -0.120 nan 8.280 nan 0.000 0.449 547 R N 0.365 120.985 120.500 0.201 0.000 2.280 547 R HA -0.085 4.256 4.340 0.001 0.000 0.207 547 R C -0.248 176.123 176.300 0.119 0.000 1.043 547 R CA 1.877 58.051 56.100 0.123 0.000 1.006 547 R CB -0.029 30.325 30.300 0.090 0.000 0.885 547 R HN 0.754 nan 8.270 nan 0.000 0.467 548 D N -0.028 120.459 120.400 0.144 0.000 2.433 548 D HA 0.054 4.695 4.640 0.001 0.000 0.211 548 D C -0.022 176.326 176.300 0.080 0.000 1.114 548 D CA -0.252 53.804 54.000 0.094 0.000 0.837 548 D CB 0.419 41.259 40.800 0.066 0.000 0.984 548 D HN 0.026 nan 8.370 nan 0.000 0.505 549 V N 1.027 121.013 119.914 0.120 0.000 2.357 549 V HA 0.494 4.615 4.120 0.001 0.000 0.284 549 V C -0.345 175.801 176.094 0.088 0.000 1.018 549 V CA -0.337 62.011 62.300 0.081 0.000 0.841 549 V CB 1.407 33.291 31.823 0.101 0.000 0.991 549 V HN 0.080 nan 8.190 nan 0.000 0.437 550 S N 6.595 122.313 115.700 0.031 0.000 2.549 550 S HA 0.641 5.112 4.470 0.001 0.000 0.280 550 S C -2.934 171.638 174.600 -0.046 0.000 1.109 550 S CA -1.066 57.168 58.200 0.055 0.000 0.905 550 S CB 2.755 66.011 63.200 0.093 0.000 1.081 550 S HN 0.585 nan 8.310 nan 0.000 0.477 551 P HA 0.387 nan 4.420 nan 0.000 0.284 551 P C -0.972 176.357 177.300 0.047 0.000 1.253 551 P CA -0.460 62.607 63.100 -0.054 0.000 0.800 551 P CB 0.253 31.955 31.700 0.004 0.000 0.961 552 F N 1.483 121.480 119.950 0.078 0.000 2.506 552 F HA 0.028 4.555 4.527 0.001 0.000 0.351 552 F C 1.895 177.720 175.800 0.041 0.000 1.136 552 F CA 0.249 58.312 58.000 0.106 0.000 1.298 552 F CB -0.286 38.802 39.000 0.146 0.000 1.145 552 F HN 0.306 nan 8.300 nan 0.000 0.593 553 D N 0.143 120.727 120.400 0.307 0.000 2.219 553 D HA -0.195 4.446 4.640 0.001 0.000 0.205 553 D C 1.937 178.316 176.300 0.130 0.000 0.970 553 D CA 1.766 55.877 54.000 0.184 0.000 0.851 553 D CB -0.434 40.464 40.800 0.162 0.000 0.943 553 D HN 0.789 nan 8.370 nan 0.000 0.488 554 H N -0.249 118.858 119.070 0.061 0.000 2.524 554 H HA 0.079 4.635 4.556 0.001 0.000 0.282 554 H C 1.359 176.707 175.328 0.032 0.000 1.016 554 H CA 1.575 57.606 56.048 -0.028 0.000 1.270 554 H CB 0.089 29.718 29.762 -0.222 0.000 1.394 554 H HN 0.046 nan 8.280 nan 0.000 0.568 555 S N -0.091 115.373 115.700 -0.394 0.000 2.847 555 S HA 0.139 4.610 4.470 0.001 0.000 0.254 555 S C 0.643 175.203 174.600 -0.066 0.000 1.039 555 S CA -0.822 57.250 58.200 -0.214 0.000 1.113 555 S CB 0.004 63.047 63.200 -0.260 0.000 1.092 555 S HN 0.593 nan 8.310 nan 0.000 0.620 556 R N 1.260 121.742 120.500 -0.031 0.000 2.734 556 R HA 0.329 4.670 4.340 0.001 0.000 0.266 556 R C -0.319 175.958 176.300 -0.037 0.000 1.044 556 R CA -0.422 55.665 56.100 -0.022 0.000 1.128 556 R CB 0.160 30.479 30.300 0.032 0.000 1.010 556 R HN 0.172 nan 8.270 nan 0.000 0.461 557 I N 2.468 122.989 120.570 -0.081 0.000 2.371 557 I HA 0.146 4.317 4.170 0.001 0.000 0.290 557 I C 0.344 176.411 176.117 -0.084 0.000 1.028 557 I CA -0.334 60.916 61.300 -0.083 0.000 1.345 557 I CB 1.215 39.141 38.000 -0.124 0.000 1.407 557 I HN 0.648 nan 8.210 nan 0.000 0.501 558 K N 6.566 126.951 120.400 -0.026 0.000 2.183 558 K HA 0.528 4.848 4.320 0.001 0.000 0.274 558 K C -0.573 176.037 176.600 0.017 0.000 1.009 558 K CA -0.649 55.641 56.287 0.004 0.000 0.888 558 K CB 1.746 34.279 32.500 0.055 0.000 1.078 558 K HN 0.424 nan 8.250 nan 0.000 0.459 559 L N 3.247 124.456 121.223 -0.024 0.000 2.395 559 L HA 0.167 4.508 4.340 0.001 0.000 0.269 559 L C 0.446 177.391 176.870 0.125 0.000 1.133 559 L CA -0.359 54.452 54.840 -0.049 0.000 0.812 559 L CB 0.418 42.407 42.059 -0.117 0.000 1.125 559 L HN 0.625 nan 8.230 nan 0.000 0.452 560 H N 2.664 121.730 119.070 -0.006 0.000 2.799 560 H HA 0.203 4.760 4.556 0.002 0.000 0.225 560 H C -0.522 174.812 175.328 0.011 0.000 1.904 560 H CA -0.317 55.738 56.048 0.011 0.000 1.344 560 H CB 0.068 29.850 29.762 0.033 0.000 1.744 560 H HN 0.500 nan 8.280 nan 0.000 0.542 561 Q N 0.741 120.609 119.800 0.113 0.000 2.375 561 Q HA 0.107 4.448 4.340 0.001 0.000 0.271 561 Q C 0.371 176.399 176.000 0.047 0.000 1.074 561 Q CA -0.831 55.010 55.803 0.063 0.000 0.808 561 Q CB 2.087 30.842 28.738 0.029 0.000 1.327 561 Q HN 0.462 nan 8.270 nan 0.000 0.441 562 E N 0.996 121.218 120.200 0.038 0.000 2.285 562 E HA -0.121 4.230 4.350 0.001 0.000 0.194 562 E C 0.449 177.064 176.600 0.026 0.000 0.997 562 E CA 1.033 57.450 56.400 0.028 0.000 0.845 562 E CB 0.397 30.111 29.700 0.024 0.000 0.782 562 E HN 0.603 nan 8.360 nan 0.000 0.491 563 D N 0.321 120.738 120.400 0.028 0.000 2.255 563 D HA -0.050 4.590 4.640 0.001 0.000 0.224 563 D C 0.200 176.515 176.300 0.026 0.000 0.997 563 D CA 0.592 54.609 54.000 0.027 0.000 0.906 563 D CB 0.295 41.114 40.800 0.031 0.000 1.047 563 D HN -0.100 nan 8.370 nan 0.000 0.458 564 N N -0.112 118.601 118.700 0.022 0.000 2.448 564 N HA 0.135 4.876 4.740 0.001 0.000 0.279 564 N C -1.158 174.350 175.510 -0.005 0.000 1.025 564 N CA -0.362 52.700 53.050 0.020 0.000 0.898 564 N CB 1.637 40.140 38.487 0.027 0.000 1.303 564 N HN 0.022 nan 8.380 nan 0.000 0.495 565 D N 1.837 122.253 120.400 0.026 0.000 2.349 565 D HA -0.018 4.623 4.640 0.001 0.000 0.214 565 D C 0.118 176.418 176.300 0.001 0.000 1.063 565 D CA -0.099 53.905 54.000 0.007 0.000 0.847 565 D CB -0.478 40.346 40.800 0.040 0.000 0.933 565 D HN 0.410 nan 8.370 nan 0.000 0.513 566 Y N 1.130 121.377 120.300 -0.089 0.000 2.411 566 Y HA 0.418 4.968 4.550 0.001 0.000 0.333 566 Y C -0.364 175.469 175.900 -0.111 0.000 1.186 566 Y CA -0.418 57.637 58.100 -0.075 0.000 1.381 566 Y CB 0.491 38.927 38.460 -0.040 0.000 1.273 566 Y HN 0.013 nan 8.280 nan 0.000 0.546 567 I N 5.655 125.564 120.570 -1.102 0.000 2.743 567 I HA 0.206 4.377 4.170 0.001 0.000 0.292 567 I C -1.527 174.002 176.117 -0.980 0.000 1.343 567 I CA -0.683 60.145 61.300 -0.785 0.000 1.038 567 I CB 1.469 39.241 38.000 -0.379 0.000 1.311 567 I HN 0.654 nan 8.210 nan 0.000 0.426 568 N N 6.237 124.569 118.700 -0.613 0.000 2.671 568 N HA 0.524 5.265 4.740 0.001 0.000 0.274 568 N C -1.140 174.250 175.510 -0.199 0.000 1.188 568 N CA 0.395 53.262 53.050 -0.306 0.000 1.065 568 N CB 0.270 38.729 38.487 -0.047 0.000 1.415 568 N HN 0.683 nan 8.380 nan 0.000 0.511 569 A N 1.378 124.071 122.820 -0.212 0.000 2.566 569 A HA 0.605 4.926 4.320 0.001 0.000 0.297 569 A C -0.921 176.593 177.584 -0.116 0.000 1.059 569 A CA -0.632 51.318 52.037 -0.145 0.000 0.691 569 A CB 1.180 20.079 19.000 -0.169 0.000 1.282 569 A HN 0.320 nan 8.150 nan 0.000 0.401 570 S N 0.130 115.784 115.700 -0.076 0.000 2.566 570 S HA 0.687 5.158 4.470 0.001 0.000 0.298 570 S C -1.034 173.548 174.600 -0.030 0.000 1.083 570 S CA -0.493 57.680 58.200 -0.045 0.000 0.978 570 S CB 1.579 64.764 63.200 -0.025 0.000 1.073 570 S HN 1.117 nan 8.310 nan 0.000 0.491 571 L N 3.103 124.313 121.223 -0.021 0.000 2.262 571 L HA 0.592 4.933 4.340 0.001 0.000 0.288 571 L C -1.486 175.301 176.870 -0.139 0.000 1.035 571 L CA -0.276 54.530 54.840 -0.056 0.000 0.820 571 L CB 0.168 42.194 42.059 -0.056 0.000 1.204 571 L HN 0.471 nan 8.230 nan 0.000 0.424 572 I N 5.524 125.974 120.570 -0.200 0.000 2.312 572 I HA 0.335 4.506 4.170 0.001 0.000 0.291 572 I C 0.097 175.840 176.117 -0.623 0.000 1.031 572 I CA 0.090 61.079 61.300 -0.519 0.000 1.293 572 I CB 0.887 38.847 38.000 -0.068 0.000 1.403 572 I HN 0.515 nan 8.210 nan 0.000 0.484 573 K N 7.152 126.848 120.400 -1.174 0.000 2.449 573 K HA 0.475 4.796 4.320 0.001 0.000 0.257 573 K C -1.150 175.244 176.600 -0.344 0.000 0.989 573 K CA -0.677 55.278 56.287 -0.554 0.000 0.916 573 K CB 0.703 33.022 32.500 -0.301 0.000 1.136 573 K HN 0.379 nan 8.250 nan 0.000 0.439 574 M N 3.663 123.157 119.600 -0.177 0.000 2.063 574 M HA 0.107 4.588 4.480 0.001 0.000 0.348 574 M C 1.076 177.374 176.300 -0.003 0.000 1.180 574 M CA 0.039 55.331 55.300 -0.014 0.000 1.059 574 M CB 0.833 33.449 32.600 0.027 0.000 1.544 574 M HN 0.714 nan 8.290 nan 0.000 0.447 575 E N 2.948 123.180 120.200 0.054 0.000 2.002 575 E HA -0.263 4.088 4.350 0.001 0.000 0.205 575 E C 1.367 177.980 176.600 0.023 0.000 1.020 575 E CA 2.298 58.724 56.400 0.044 0.000 0.856 575 E CB 0.089 29.835 29.700 0.076 0.000 0.788 575 E HN 0.803 nan 8.360 nan 0.000 0.477 576 E N -0.007 120.214 120.200 0.035 0.000 2.048 576 E HA -0.252 4.099 4.350 0.001 0.000 0.202 576 E C 1.919 178.525 176.600 0.011 0.000 1.021 576 E CA 1.661 58.076 56.400 0.025 0.000 0.825 576 E CB -0.329 29.392 29.700 0.034 0.000 0.756 576 E HN 0.328 nan 8.360 nan 0.000 0.454 577 A N 0.065 122.893 122.820 0.014 0.000 2.070 577 A HA -0.174 4.147 4.320 0.001 0.000 0.220 577 A C 0.771 178.338 177.584 -0.028 0.000 1.159 577 A CA 1.311 53.349 52.037 0.001 0.000 0.656 577 A CB -0.350 18.659 19.000 0.016 0.000 0.800 577 A HN 0.527 nan 8.150 nan 0.000 0.453 578 Q N -1.719 118.058 119.800 -0.038 0.000 2.459 578 Q HA -0.198 4.143 4.340 0.001 0.000 0.322 578 Q C -0.136 175.798 176.000 -0.111 0.000 1.427 578 Q CA 1.027 56.792 55.803 -0.064 0.000 0.861 578 Q CB -1.277 27.432 28.738 -0.049 0.000 1.137 578 Q HN 0.787 nan 8.270 nan 0.000 0.394 579 R N -0.159 120.241 120.500 -0.167 0.000 2.668 579 R HA 0.682 5.023 4.340 0.001 0.000 0.272 579 R C -1.451 174.572 176.300 -0.463 0.000 1.019 579 R CA -0.397 55.520 56.100 -0.305 0.000 0.894 579 R CB 2.030 32.146 30.300 -0.307 0.000 1.228 579 R HN 0.093 nan 8.270 nan 0.000 0.460 580 S N 1.581 116.923 115.700 -0.597 0.000 2.549 580 S HA 0.668 5.139 4.470 0.001 0.000 0.280 580 S C -1.792 172.390 174.600 -0.696 0.000 1.109 580 S CA -0.542 57.323 58.200 -0.559 0.000 0.905 580 S CB 1.178 64.204 63.200 -0.290 0.000 1.081 580 S HN 0.463 nan 8.310 nan 0.000 0.477 581 Y N 0.057 120.300 120.300 -0.094 0.000 2.615 581 Y HA 0.647 5.198 4.550 0.002 0.000 0.341 581 Y C -0.541 175.308 175.900 -0.086 0.000 1.089 581 Y CA -1.119 56.944 58.100 -0.061 0.000 1.049 581 Y CB 1.072 39.526 38.460 -0.010 0.000 1.296 581 Y HN 0.430 nan 8.280 nan 0.000 0.470 582 I N 3.003 123.633 120.570 0.100 0.000 2.411 582 I HA 0.279 4.450 4.170 0.001 0.000 0.284 582 I C -1.391 174.731 176.117 0.009 0.000 1.012 582 I CA -0.586 60.715 61.300 0.002 0.000 1.119 582 I CB 1.154 39.112 38.000 -0.071 0.000 1.261 582 I HN 0.289 nan 8.210 nan 0.000 0.448 583 L N 5.938 127.163 121.223 0.003 0.000 2.289 583 L HA 0.610 4.950 4.340 0.001 0.000 0.285 583 L C 0.239 177.094 176.870 -0.024 0.000 1.049 583 L CA 0.257 55.093 54.840 -0.006 0.000 0.804 583 L CB 1.660 43.713 42.059 -0.010 0.000 1.195 583 L HN 0.522 nan 8.230 nan 0.000 0.428 584 T N 1.529 116.082 114.554 -0.001 0.000 2.864 584 T HA 0.483 4.834 4.350 0.001 0.000 0.299 584 T C -1.033 173.668 174.700 0.002 0.000 1.166 584 T CA -0.708 61.378 62.100 -0.023 0.000 1.007 584 T CB 1.317 70.156 68.868 -0.049 0.000 1.219 584 T HN 0.645 nan 8.240 nan 0.000 0.506 585 Q N 1.056 120.838 119.800 -0.031 0.000 2.317 585 Q HA 0.599 4.939 4.340 0.001 0.000 0.229 585 Q C 0.578 176.490 176.000 -0.146 0.000 0.984 585 Q CA -0.896 54.899 55.803 -0.013 0.000 0.911 585 Q CB 0.196 28.947 28.738 0.021 0.000 1.217 585 Q HN 0.748 nan 8.270 nan 0.000 0.501 586 G N 1.772 110.511 108.800 -0.103 0.000 2.343 586 G HA2 0.293 4.254 3.960 0.001 0.000 0.254 586 G HA3 0.293 4.254 3.960 0.001 0.000 0.254 586 G C -2.346 172.368 174.900 -0.311 0.000 1.277 586 G CA -0.998 43.937 45.100 -0.277 0.000 0.909 586 G HN 0.444 nan 8.290 nan 0.000 0.502 587 P HA -0.000 nan 4.420 nan 0.000 0.266 587 P C 0.077 177.265 177.300 -0.186 0.000 1.186 587 P CA 0.240 63.110 63.100 -0.383 0.000 0.767 587 P CB 0.588 31.900 31.700 -0.648 0.000 0.820 588 L N 5.494 126.639 121.223 -0.130 0.000 2.387 588 L HA 0.319 4.659 4.340 0.001 0.000 0.266 588 L C -1.257 175.580 176.870 -0.055 0.000 1.059 588 L CA -1.998 52.793 54.840 -0.082 0.000 0.801 588 L CB 0.874 42.893 42.059 -0.066 0.000 1.223 588 L HN 0.280 nan 8.230 nan 0.000 0.456 589 P HA -0.149 nan 4.420 nan 0.000 0.218 589 P C 0.530 177.822 177.300 -0.014 0.000 1.146 589 P CA 1.163 64.256 63.100 -0.013 0.000 0.813 589 P CB 0.048 31.738 31.700 -0.017 0.000 0.778 590 N N -3.107 115.569 118.700 -0.041 0.000 2.236 590 N HA 0.051 4.792 4.740 0.001 0.000 0.196 590 N C 0.722 176.113 175.510 -0.198 0.000 1.114 590 N CA 0.637 53.644 53.050 -0.072 0.000 0.859 590 N CB -0.466 37.997 38.487 -0.039 0.000 0.982 590 N HN -0.055 nan 8.380 nan 0.000 0.493 591 T N -0.177 114.279 114.554 -0.165 0.000 3.044 591 T HA 0.184 4.535 4.350 0.001 0.000 0.260 591 T C 1.338 175.939 174.700 -0.165 0.000 1.019 591 T CA -0.258 61.711 62.100 -0.218 0.000 0.921 591 T CB -0.141 68.696 68.868 -0.051 0.000 1.053 591 T HN 0.304 nan 8.240 nan 0.000 0.533 592 C N 0.886 120.132 119.300 -0.090 0.000 2.450 592 C HA 0.110 4.571 4.460 0.001 0.000 0.279 592 C C 2.910 177.832 174.990 -0.114 0.000 1.335 592 C CA 0.549 59.558 59.018 -0.016 0.000 1.749 592 C CB -1.188 26.713 27.740 0.269 0.000 1.963 592 C HN 0.672 nan 8.230 nan 0.000 0.501 593 G N -0.259 108.495 108.800 -0.076 0.000 2.404 593 G HA2 -0.187 3.774 3.960 0.001 0.000 0.215 593 G HA3 -0.187 3.774 3.960 0.001 0.000 0.215 593 G C 1.137 176.049 174.900 0.019 0.000 1.174 593 G CA 0.788 45.842 45.100 -0.077 0.000 0.780 593 G HN 0.720 nan 8.290 nan 0.000 0.537 594 H N -1.020 118.037 119.070 -0.021 0.000 2.289 594 H HA -0.125 4.432 4.556 0.001 0.000 0.296 594 H C 2.286 177.547 175.328 -0.113 0.000 1.091 594 H CA 1.207 57.224 56.048 -0.053 0.000 1.274 594 H CB -0.227 29.506 29.762 -0.048 0.000 1.364 594 H HN 0.352 nan 8.280 nan 0.000 0.490 595 F N 0.587 120.426 119.950 -0.185 0.000 2.065 595 F HA -0.298 4.230 4.527 0.002 0.000 0.298 595 F C 1.753 177.277 175.800 -0.459 0.000 1.112 595 F CA 1.650 59.389 58.000 -0.436 0.000 1.212 595 F CB -0.444 38.127 39.000 -0.715 0.000 0.975 595 F HN 0.138 nan 8.300 nan 0.000 0.476 596 W N 0.628 121.881 121.300 -0.079 0.000 2.467 596 W HA -0.042 4.619 4.660 0.001 0.000 0.275 596 W C 2.508 178.971 176.519 -0.092 0.000 1.239 596 W CA 0.924 58.193 57.345 -0.127 0.000 1.266 596 W CB -0.400 28.932 29.460 -0.213 0.000 1.112 596 W HN 0.157 nan 8.180 nan 0.000 0.576 597 E N 0.799 121.052 120.200 0.088 0.000 2.106 597 E HA -0.265 4.086 4.350 0.001 0.000 0.192 597 E C 2.128 178.729 176.600 0.002 0.000 0.984 597 E CA 1.408 57.854 56.400 0.077 0.000 0.806 597 E CB -0.304 29.421 29.700 0.041 0.000 0.750 597 E HN 0.306 nan 8.360 nan 0.000 0.458 598 M N 0.355 119.872 119.600 -0.139 0.000 2.132 598 M HA -0.132 4.349 4.480 0.001 0.000 0.263 598 M C 2.024 178.192 176.300 -0.220 0.000 1.065 598 M CA 1.229 56.389 55.300 -0.233 0.000 1.122 598 M CB 0.081 32.484 32.600 -0.329 0.000 1.365 598 M HN 0.079 nan 8.290 nan 0.000 0.411 599 V N 0.260 120.020 119.914 -0.257 0.000 2.287 599 V HA -0.323 3.797 4.120 0.001 0.000 0.248 599 V C 2.169 178.255 176.094 -0.014 0.000 1.053 599 V CA 2.287 64.491 62.300 -0.161 0.000 1.027 599 V CB -1.168 30.617 31.823 -0.063 0.000 0.646 599 V HN 0.765 nan 8.190 nan 0.000 0.447 600 W N 1.394 122.674 121.300 -0.035 0.000 2.332 600 W HA -0.187 4.473 4.660 0.000 0.000 0.321 600 W C 2.432 178.917 176.519 -0.056 0.000 1.219 600 W CA 2.260 59.597 57.345 -0.014 0.000 1.277 600 W CB -0.316 29.151 29.460 0.011 0.000 1.161 600 W HN 0.392 nan 8.180 nan 0.000 0.476 601 E N -0.290 119.948 120.200 0.064 0.000 2.153 601 E HA -0.251 4.100 4.350 0.001 0.000 0.194 601 E C 1.894 178.415 176.600 -0.132 0.000 0.988 601 E CA 1.016 57.367 56.400 -0.082 0.000 0.811 601 E CB -0.349 29.096 29.700 -0.425 0.000 0.746 601 E HN 0.254 nan 8.360 nan 0.000 0.466 602 Q N 0.340 120.048 119.800 -0.153 0.000 2.403 602 Q HA 0.045 4.386 4.340 0.001 0.000 0.203 602 Q C -0.049 175.872 176.000 -0.131 0.000 0.932 602 Q CA 0.220 55.947 55.803 -0.125 0.000 0.945 602 Q CB 0.294 28.948 28.738 -0.139 0.000 1.045 602 Q HN 0.224 nan 8.270 nan 0.000 0.511 603 K N 0.618 120.902 120.400 -0.193 0.000 3.096 603 K HA -0.107 4.214 4.320 0.001 0.000 0.266 603 K C -0.531 175.970 176.600 -0.165 0.000 1.043 603 K CA 0.307 56.461 56.287 -0.221 0.000 0.758 603 K CB -2.079 30.323 32.500 -0.163 0.000 1.260 603 K HN 0.069 nan 8.250 nan 0.000 0.481 604 S N 0.392 115.999 115.700 -0.155 0.000 2.592 604 S HA 0.193 4.664 4.470 0.001 0.000 0.271 604 S C 1.314 175.816 174.600 -0.163 0.000 1.326 604 S CA -0.747 57.374 58.200 -0.131 0.000 1.024 604 S CB 1.757 64.892 63.200 -0.109 0.000 0.921 604 S HN 0.347 nan 8.310 nan 0.000 0.527 605 R N 0.732 121.104 120.500 -0.212 0.000 2.316 605 R HA 0.211 4.552 4.340 0.001 0.000 0.201 605 R C 0.481 176.749 176.300 -0.054 0.000 0.888 605 R CA 0.306 56.247 56.100 -0.264 0.000 1.041 605 R CB 0.278 30.169 30.300 -0.681 0.000 1.115 605 R HN 0.736 nan 8.270 nan 0.000 0.559 606 G N 0.086 108.899 108.800 0.021 0.000 2.619 606 G HA2 0.527 4.488 3.960 0.001 0.000 0.296 606 G HA3 0.527 4.488 3.960 0.001 0.000 0.296 606 G C -1.731 173.267 174.900 0.163 0.000 1.334 606 G CA -0.326 44.873 45.100 0.165 0.000 0.934 606 G HN -0.047 nan 8.290 nan 0.000 0.476 607 V N 0.617 120.671 119.914 0.234 0.000 2.577 607 V HA 0.503 4.624 4.120 0.001 0.000 0.303 607 V C -0.485 175.661 176.094 0.087 0.000 1.042 607 V CA -0.693 61.719 62.300 0.187 0.000 0.872 607 V CB 1.820 33.863 31.823 0.366 0.000 0.998 607 V HN 0.595 nan 8.190 nan 0.000 0.423 608 V N 5.873 125.770 119.914 -0.028 0.000 2.357 608 V HA 0.477 4.598 4.120 0.001 0.000 0.284 608 V C -0.060 175.837 176.094 -0.329 0.000 1.018 608 V CA -0.323 61.888 62.300 -0.148 0.000 0.841 608 V CB 1.524 33.127 31.823 -0.367 0.000 0.991 608 V HN 0.904 nan 8.190 nan 0.000 0.437 609 M N 5.703 125.093 119.600 -0.349 0.000 2.101 609 M HA 0.474 4.954 4.480 0.001 0.000 0.340 609 M C -0.207 175.988 176.300 -0.175 0.000 1.057 609 M CA -0.377 54.611 55.300 -0.521 0.000 0.984 609 M CB 1.017 33.301 32.600 -0.526 0.000 1.560 609 M HN 0.592 nan 8.290 nan 0.000 0.435 610 L N 4.069 125.122 121.223 -0.283 0.000 2.640 610 L HA 0.201 4.542 4.340 0.001 0.000 0.230 610 L C 0.691 177.508 176.870 -0.087 0.000 1.123 610 L CA -0.320 54.415 54.840 -0.174 0.000 0.900 610 L CB -0.630 41.151 42.059 -0.463 0.000 1.146 610 L HN 0.709 nan 8.230 nan 0.000 0.484 611 N N -0.051 118.641 118.700 -0.014 0.000 2.989 611 N HA 0.430 5.171 4.740 0.001 0.000 0.338 611 N C -0.588 175.085 175.510 0.271 0.000 1.369 611 N CA -0.735 52.360 53.050 0.074 0.000 0.794 611 N CB 1.569 40.075 38.487 0.032 0.000 1.359 611 N HN -0.120 nan 8.380 nan 0.000 0.609 612 R N -1.224 119.424 120.500 0.245 0.000 2.919 612 R HA 0.490 4.831 4.340 0.001 0.000 0.260 612 R C 1.128 177.574 176.300 0.243 0.000 1.067 612 R CA -0.825 55.462 56.100 0.312 0.000 1.003 612 R CB 1.815 32.249 30.300 0.223 0.000 1.192 612 R HN 0.292 nan 8.270 nan 0.000 0.488 613 V N 0.916 120.973 119.914 0.239 0.000 2.295 613 V HA -0.101 4.020 4.120 0.001 0.000 0.246 613 V C 0.919 177.081 176.094 0.112 0.000 1.049 613 V CA 1.652 64.046 62.300 0.157 0.000 1.024 613 V CB -0.124 31.752 31.823 0.089 0.000 0.648 613 V HN 0.589 nan 8.190 nan 0.000 0.447 614 M N -0.314 119.350 119.600 0.105 0.000 2.465 614 M HA 0.476 4.957 4.480 0.001 0.000 0.316 614 M C -1.368 174.990 176.300 0.097 0.000 1.121 614 M CA -0.288 55.063 55.300 0.085 0.000 0.934 614 M CB 2.045 34.682 32.600 0.062 0.000 1.692 614 M HN 0.157 nan 8.290 nan 0.000 0.444 615 E N 2.844 123.102 120.200 0.095 0.000 2.331 615 E HA 0.301 4.651 4.350 0.001 0.000 0.275 615 E C -1.123 175.533 176.600 0.094 0.000 0.895 615 E CA -0.904 55.556 56.400 0.100 0.000 0.753 615 E CB 1.989 31.755 29.700 0.110 0.000 1.216 615 E HN 0.688 nan 8.360 nan 0.000 0.434 616 K N 0.937 121.391 120.400 0.090 0.000 3.264 616 K HA -0.324 3.997 4.320 0.001 0.000 0.267 616 K C 0.717 177.358 176.600 0.068 0.000 0.886 616 K CA 0.843 57.177 56.287 0.080 0.000 0.665 616 K CB -1.465 31.089 32.500 0.090 0.000 1.447 616 K HN 1.053 nan 8.250 nan 0.000 0.464 617 G N -1.062 107.774 108.800 0.061 0.000 2.225 617 G HA2 -0.339 3.622 3.960 0.001 0.000 0.254 617 G HA3 -0.339 3.622 3.960 0.001 0.000 0.254 617 G C 0.011 174.941 174.900 0.051 0.000 0.988 617 G CA 0.383 45.513 45.100 0.050 0.000 0.625 617 G HN 0.642 nan 8.290 nan 0.000 0.527 618 S N -0.702 115.036 115.700 0.063 0.000 2.566 618 S HA 0.777 5.248 4.470 0.001 0.000 0.298 618 S C -0.108 174.530 174.600 0.063 0.000 1.083 618 S CA -0.734 57.503 58.200 0.061 0.000 0.978 618 S CB 1.235 64.482 63.200 0.078 0.000 1.073 618 S HN 0.651 nan 8.310 nan 0.000 0.491 619 L N 4.084 125.335 121.223 0.046 0.000 2.410 619 L HA 0.409 4.750 4.340 0.001 0.000 0.273 619 L C 1.194 178.096 176.870 0.054 0.000 1.144 619 L CA 0.321 55.186 54.840 0.042 0.000 0.863 619 L CB 0.608 42.677 42.059 0.017 0.000 1.140 619 L HN 0.652 nan 8.230 nan 0.000 0.463 620 K N 1.303 121.748 120.400 0.075 0.000 2.370 620 K HA 0.287 4.608 4.320 0.001 0.000 0.194 620 K C -0.217 176.430 176.600 0.079 0.000 1.070 620 K CA 0.315 56.660 56.287 0.097 0.000 0.998 620 K CB 0.380 32.952 32.500 0.121 0.000 0.911 620 K HN 0.582 nan 8.250 nan 0.000 0.533 621 C N 0.021 119.369 119.300 0.079 0.000 3.239 621 C HA 0.749 5.210 4.460 0.001 0.000 0.329 621 C C -0.972 174.061 174.990 0.072 0.000 1.252 621 C CA -0.905 58.163 59.018 0.083 0.000 1.323 621 C CB 1.145 29.000 27.740 0.191 0.000 1.663 621 C HN 0.436 nan 8.230 nan 0.000 0.487 622 A N 2.538 125.395 122.820 0.062 0.000 2.286 622 A HA 0.613 4.933 4.320 0.001 0.000 0.286 622 A C -0.188 177.426 177.584 0.049 0.000 1.097 622 A CA -0.099 51.962 52.037 0.040 0.000 0.821 622 A CB 0.446 19.461 19.000 0.025 0.000 1.076 622 A HN 0.930 nan 8.150 nan 0.000 0.490 623 Q N 1.128 120.861 119.800 -0.112 0.000 2.641 623 Q HA 0.200 4.541 4.340 0.001 0.000 0.225 623 Q C -0.373 175.503 176.000 -0.206 0.000 1.309 623 Q CA 0.396 55.956 55.803 -0.404 0.000 0.935 623 Q CB -0.717 27.775 28.738 -0.410 0.000 1.557 623 Q HN 0.686 nan 8.270 nan 0.000 0.563 624 Y N 1.062 121.354 120.300 -0.013 0.000 2.470 624 Y HA 0.363 4.914 4.550 0.001 0.000 0.284 624 Y C -0.758 175.519 175.900 0.629 0.000 1.188 624 Y CA -1.237 57.044 58.100 0.302 0.000 1.269 624 Y CB -0.527 38.001 38.460 0.113 0.000 1.094 624 Y HN 0.378 nan 8.280 nan 0.000 0.518 625 W N -1.112 120.137 121.300 -0.086 0.000 3.083 625 W HA 0.756 5.417 4.660 0.001 0.000 0.333 625 W C -3.317 173.149 176.519 -0.088 0.000 1.217 625 W CA -3.352 53.955 57.345 -0.063 0.000 1.170 625 W CB 0.572 29.851 29.460 -0.301 0.000 1.437 625 W HN -0.344 nan 8.180 nan 0.000 0.557 626 P HA 0.020 nan 4.420 nan 0.000 0.267 626 P C 0.352 177.618 177.300 -0.056 0.000 1.209 626 P CA 0.405 63.477 63.100 -0.047 0.000 0.763 626 P CB 0.986 32.686 31.700 0.001 0.000 0.816 627 Q N 2.509 122.211 119.800 -0.162 0.000 2.123 627 Q HA -0.054 4.287 4.340 0.001 0.000 0.196 627 Q C 0.193 176.189 176.000 -0.007 0.000 0.958 627 Q CA 1.083 56.823 55.803 -0.105 0.000 0.841 627 Q CB 0.014 28.649 28.738 -0.171 0.000 0.915 627 Q HN 0.547 nan 8.270 nan 0.000 0.455 628 K N 0.799 121.180 120.400 -0.031 0.000 2.130 628 K HA 0.221 4.542 4.320 0.001 0.000 0.268 628 K C 0.156 176.754 176.600 -0.005 0.000 0.983 628 K CA -0.428 55.852 56.287 -0.012 0.000 0.893 628 K CB 2.034 34.518 32.500 -0.026 0.000 1.066 628 K HN -0.038 nan 8.250 nan 0.000 0.450 629 E N 2.122 122.325 120.200 0.006 0.000 1.998 629 E HA -0.254 4.097 4.350 0.001 0.000 0.221 629 E C 0.455 177.050 176.600 -0.009 0.000 1.018 629 E CA 1.593 57.996 56.400 0.005 0.000 0.891 629 E CB 0.113 29.817 29.700 0.006 0.000 0.807 629 E HN 0.586 nan 8.360 nan 0.000 0.523 630 E N 0.985 121.178 120.200 -0.012 0.000 2.401 630 E HA -0.085 4.266 4.350 0.001 0.000 0.203 630 E C -0.331 176.252 176.600 -0.028 0.000 1.229 630 E CA 0.545 56.934 56.400 -0.019 0.000 1.000 630 E CB -0.364 29.326 29.700 -0.017 0.000 1.052 630 E HN -0.006 nan 8.360 nan 0.000 0.497 631 K N 1.805 122.185 120.400 -0.033 0.000 2.206 631 K HA 0.133 4.454 4.320 0.001 0.000 0.264 631 K C -0.604 175.962 176.600 -0.056 0.000 0.967 631 K CA -0.646 55.612 56.287 -0.048 0.000 0.844 631 K CB 0.979 33.446 32.500 -0.054 0.000 1.099 631 K HN -0.016 nan 8.250 nan 0.000 0.441 632 E N 5.112 125.270 120.200 -0.071 0.000 2.183 632 E HA 0.335 4.686 4.350 0.001 0.000 0.271 632 E C -1.064 175.457 176.600 -0.131 0.000 0.919 632 E CA -0.680 55.669 56.400 -0.086 0.000 0.781 632 E CB 1.378 31.033 29.700 -0.075 0.000 1.140 632 E HN 0.611 nan 8.360 nan 0.000 0.402 633 M N 4.518 124.019 119.600 -0.164 0.000 2.294 633 M HA 0.451 4.932 4.480 0.001 0.000 0.335 633 M C -1.116 174.936 176.300 -0.414 0.000 1.079 633 M CA -0.615 54.504 55.300 -0.302 0.000 0.982 633 M CB 1.354 33.789 32.600 -0.274 0.000 1.651 633 M HN 0.586 nan 8.290 nan 0.000 0.437 634 I N 3.492 123.747 120.570 -0.525 0.000 2.509 634 I HA 0.380 4.551 4.170 0.001 0.000 0.293 634 I C -1.427 174.326 176.117 -0.606 0.000 1.020 634 I CA -0.538 60.516 61.300 -0.409 0.000 1.088 634 I CB 1.827 39.708 38.000 -0.198 0.000 1.267 634 I HN 0.564 nan 8.210 nan 0.000 0.430 635 F N 4.409 124.355 119.950 -0.007 0.000 2.359 635 F HA 0.323 4.851 4.527 0.001 0.000 0.369 635 F C 1.197 177.002 175.800 0.008 0.000 1.084 635 F CA -0.546 57.468 58.000 0.023 0.000 1.096 635 F CB 0.977 40.025 39.000 0.080 0.000 1.335 635 F HN 0.438 nan 8.300 nan 0.000 0.457 636 E N 1.711 121.970 120.200 0.099 0.000 2.065 636 E HA -0.265 4.086 4.350 0.001 0.000 0.201 636 E C 1.910 178.561 176.600 0.083 0.000 1.016 636 E CA 2.331 58.766 56.400 0.059 0.000 0.818 636 E CB -0.052 29.663 29.700 0.025 0.000 0.749 636 E HN 0.696 nan 8.360 nan 0.000 0.453 637 D N -1.234 119.232 120.400 0.109 0.000 2.149 637 D HA -0.155 4.486 4.640 0.001 0.000 0.198 637 D C 1.593 177.962 176.300 0.115 0.000 0.990 637 D CA 2.138 56.203 54.000 0.108 0.000 0.839 637 D CB -0.933 39.937 40.800 0.117 0.000 0.948 637 D HN 0.372 nan 8.370 nan 0.000 0.460 638 T N -4.407 110.229 114.554 0.138 0.000 3.044 638 T HA 0.133 4.484 4.350 0.001 0.000 0.260 638 T C 0.379 175.106 174.700 0.046 0.000 1.019 638 T CA -0.327 61.833 62.100 0.100 0.000 0.921 638 T CB -0.286 68.651 68.868 0.115 0.000 1.053 638 T HN 0.079 nan 8.240 nan 0.000 0.533 639 N N 1.380 120.115 118.700 0.059 0.000 2.746 639 N HA -0.104 4.637 4.740 0.001 0.000 0.250 639 N C -1.035 174.449 175.510 -0.043 0.000 1.055 639 N CA 0.410 53.460 53.050 0.000 0.000 0.699 639 N CB -1.426 37.034 38.487 -0.045 0.000 0.919 639 N HN 0.551 nan 8.380 nan 0.000 0.548 640 L N -0.089 121.167 121.223 0.055 0.000 2.388 640 L HA 0.519 4.860 4.340 0.001 0.000 0.264 640 L C 0.150 177.093 176.870 0.122 0.000 0.998 640 L CA -0.663 54.195 54.840 0.030 0.000 0.817 640 L CB 2.488 44.588 42.059 0.068 0.000 1.338 640 L HN -0.032 nan 8.230 nan 0.000 0.414 641 K N 2.083 122.499 120.400 0.025 0.000 2.324 641 K HA 0.689 5.010 4.320 0.001 0.000 0.253 641 K C -1.833 174.753 176.600 -0.024 0.000 0.932 641 K CA -0.668 55.621 56.287 0.002 0.000 0.799 641 K CB 2.103 34.578 32.500 -0.041 0.000 1.154 641 K HN 0.368 nan 8.250 nan 0.000 0.425 642 L N 2.490 123.686 121.223 -0.045 0.000 2.365 642 L HA 0.577 4.918 4.340 0.001 0.000 0.273 642 L C -1.439 175.373 176.870 -0.096 0.000 1.000 642 L CA 0.132 54.895 54.840 -0.129 0.000 0.819 642 L CB 2.343 44.275 42.059 -0.212 0.000 1.284 642 L HN 0.663 nan 8.230 nan 0.000 0.418 643 T N 4.965 119.468 114.554 -0.086 0.000 2.921 643 T HA 0.448 4.799 4.350 0.001 0.000 0.297 643 T C -1.068 173.613 174.700 -0.032 0.000 1.013 643 T CA -0.406 61.664 62.100 -0.050 0.000 0.990 643 T CB 1.518 70.363 68.868 -0.038 0.000 1.023 643 T HN 0.566 nan 8.240 nan 0.000 0.447 644 L N 4.467 125.685 121.223 -0.007 0.000 2.331 644 L HA 0.388 4.729 4.340 0.001 0.000 0.278 644 L C 0.278 177.152 176.870 0.006 0.000 1.106 644 L CA 0.048 54.897 54.840 0.016 0.000 0.824 644 L CB 0.065 42.155 42.059 0.051 0.000 1.142 644 L HN 0.606 nan 8.230 nan 0.000 0.443 645 I N 1.743 122.315 120.570 0.005 0.000 3.136 645 I HA 0.224 4.395 4.170 0.001 0.000 0.262 645 I C 0.824 176.946 176.117 0.008 0.000 1.132 645 I CA 0.824 62.125 61.300 0.003 0.000 1.450 645 I CB -0.842 37.158 38.000 -0.000 0.000 1.315 645 I HN 0.740 nan 8.210 nan 0.000 0.460 646 S N 0.220 115.926 115.700 0.009 0.000 2.720 646 S HA 0.702 5.173 4.470 0.001 0.000 0.287 646 S C -0.773 173.839 174.600 0.021 0.000 1.168 646 S CA -0.636 57.572 58.200 0.014 0.000 0.832 646 S CB 3.139 66.344 63.200 0.010 0.000 1.166 646 S HN 0.214 nan 8.310 nan 0.000 0.493 647 E N 0.053 120.269 120.200 0.027 0.000 2.531 647 E HA 0.232 4.583 4.350 0.001 0.000 0.323 647 E C -2.381 174.243 176.600 0.040 0.000 0.908 647 E CA -0.159 56.267 56.400 0.042 0.000 0.792 647 E CB 1.222 30.959 29.700 0.062 0.000 1.360 647 E HN 0.645 nan 8.360 nan 0.000 0.394 648 D N 6.084 126.512 120.400 0.048 0.000 2.622 648 D HA 0.246 4.886 4.640 0.001 0.000 0.262 648 D C -0.222 176.107 176.300 0.048 0.000 1.189 648 D CA -0.360 53.668 54.000 0.046 0.000 0.985 648 D CB -0.071 40.764 40.800 0.058 0.000 0.994 648 D HN 0.451 nan 8.370 nan 0.000 0.513 649 I N 1.874 122.458 120.570 0.025 0.000 2.815 649 I HA 0.006 4.177 4.170 0.001 0.000 0.291 649 I C 1.138 177.205 176.117 -0.083 0.000 1.209 649 I CA 0.558 61.853 61.300 -0.009 0.000 1.431 649 I CB 0.552 38.543 38.000 -0.014 0.000 1.351 649 I HN 0.168 nan 8.210 nan 0.000 0.585 650 K N 2.553 122.846 120.400 -0.178 0.000 2.197 650 K HA 0.297 4.618 4.320 0.001 0.000 0.247 650 K C 0.728 177.108 176.600 -0.367 0.000 1.077 650 K CA -0.675 55.430 56.287 -0.304 0.000 0.882 650 K CB 1.377 33.558 32.500 -0.532 0.000 1.396 650 K HN 0.418 nan 8.250 nan 0.000 0.482 651 S N -0.475 114.957 115.700 -0.446 0.000 2.370 651 S HA -0.140 4.331 4.470 0.001 0.000 0.226 651 S C 1.089 175.120 174.600 -0.949 0.000 1.033 651 S CA 1.743 59.554 58.200 -0.648 0.000 1.011 651 S CB -0.059 62.736 63.200 -0.674 0.000 0.852 651 S HN 0.511 nan 8.310 nan 0.000 0.457 652 Y N -0.576 119.538 120.300 -0.309 0.000 2.426 652 Y HA 0.357 4.907 4.550 0.001 0.000 0.249 652 Y C -0.113 175.542 175.900 -0.410 0.000 1.103 652 Y CA -0.910 56.982 58.100 -0.347 0.000 1.256 652 Y CB 0.438 38.764 38.460 -0.224 0.000 1.208 652 Y HN 0.448 nan 8.280 nan 0.000 0.519 653 Y N -3.347 116.871 120.300 -0.137 0.000 2.609 653 Y HA 0.767 5.318 4.550 0.002 0.000 0.336 653 Y C -0.997 174.931 175.900 0.046 0.000 1.129 653 Y CA -2.127 55.939 58.100 -0.056 0.000 1.040 653 Y CB 0.925 39.538 38.460 0.255 0.000 1.310 653 Y HN -0.287 nan 8.280 nan 0.000 0.460 654 T N 2.204 116.970 114.554 0.352 0.000 2.841 654 T HA 0.633 4.983 4.350 0.001 0.000 0.283 654 T C -1.322 173.553 174.700 0.291 0.000 1.000 654 T CA -0.710 61.541 62.100 0.252 0.000 0.977 654 T CB 1.626 70.581 68.868 0.145 0.000 0.979 654 T HN 0.604 nan 8.240 nan 0.000 0.446 655 V N 4.365 124.397 119.914 0.197 0.000 2.409 655 V HA 0.531 4.651 4.120 0.001 0.000 0.291 655 V C 0.054 176.134 176.094 -0.024 0.000 1.020 655 V CA -0.895 61.420 62.300 0.026 0.000 0.848 655 V CB 1.275 33.112 31.823 0.023 0.000 0.990 655 V HN 0.718 nan 8.190 nan 0.000 0.430 656 R N 3.147 123.604 120.500 -0.071 0.000 2.732 656 R HA 0.633 4.973 4.340 0.001 0.000 0.278 656 R C -0.758 175.494 176.300 -0.080 0.000 0.976 656 R CA -0.753 55.322 56.100 -0.043 0.000 0.963 656 R CB 2.295 32.572 30.300 -0.037 0.000 1.150 656 R HN 0.691 nan 8.270 nan 0.000 0.478 657 Q N 2.529 122.302 119.800 -0.044 0.000 2.316 657 Q HA 0.485 4.826 4.340 0.001 0.000 0.264 657 Q C -1.478 174.510 176.000 -0.020 0.000 0.987 657 Q CA -0.584 55.196 55.803 -0.039 0.000 0.852 657 Q CB 1.312 30.035 28.738 -0.024 0.000 1.287 657 Q HN 0.465 nan 8.270 nan 0.000 0.448 658 L N 2.060 123.274 121.223 -0.014 0.000 2.371 658 L HA 0.560 4.901 4.340 0.001 0.000 0.262 658 L C -0.927 175.932 176.870 -0.018 0.000 1.006 658 L CA -0.900 53.926 54.840 -0.024 0.000 0.818 658 L CB 2.282 44.316 42.059 -0.043 0.000 1.354 658 L HN 0.549 nan 8.230 nan 0.000 0.415 659 E N 1.932 122.114 120.200 -0.030 0.000 2.185 659 E HA 0.536 4.887 4.350 0.001 0.000 0.261 659 E C -1.723 174.864 176.600 -0.022 0.000 0.879 659 E CA -0.510 55.887 56.400 -0.006 0.000 0.756 659 E CB 1.728 31.429 29.700 0.002 0.000 1.152 659 E HN 0.380 nan 8.360 nan 0.000 0.416 660 L N 3.773 125.013 121.223 0.028 0.000 2.287 660 L HA 0.541 4.882 4.340 0.001 0.000 0.287 660 L C -0.831 176.145 176.870 0.177 0.000 1.022 660 L CA -0.204 54.669 54.840 0.055 0.000 0.814 660 L CB 1.401 43.534 42.059 0.122 0.000 1.217 660 L HN 0.623 nan 8.230 nan 0.000 0.420 661 E N 3.696 123.931 120.200 0.057 0.000 2.199 661 E HA 0.240 4.591 4.350 0.001 0.000 0.269 661 E C -1.078 175.377 176.600 -0.241 0.000 0.899 661 E CA -0.818 55.580 56.400 -0.005 0.000 0.772 661 E CB 1.210 30.901 29.700 -0.014 0.000 1.155 661 E HN 0.628 nan 8.360 nan 0.000 0.408 662 N N 4.980 123.375 118.700 -0.509 0.000 2.411 662 N HA 0.067 4.808 4.740 0.001 0.000 0.259 662 N C 0.711 176.029 175.510 -0.320 0.000 1.103 662 N CA 0.103 52.710 53.050 -0.738 0.000 0.954 662 N CB 0.755 38.592 38.487 -1.083 0.000 1.085 662 N HN 0.648 nan 8.380 nan 0.000 0.485 663 L N 2.374 123.461 121.223 -0.226 0.000 2.376 663 L HA -0.079 4.261 4.340 0.001 0.000 0.219 663 L C 1.736 178.547 176.870 -0.098 0.000 1.133 663 L CA 0.776 55.542 54.840 -0.122 0.000 0.816 663 L CB -0.193 41.817 42.059 -0.083 0.000 0.933 663 L HN 0.515 nan 8.230 nan 0.000 0.449 664 T N -1.680 112.800 114.554 -0.123 0.000 2.809 664 T HA -0.113 4.237 4.350 0.001 0.000 0.260 664 T C 1.876 176.545 174.700 -0.051 0.000 1.039 664 T CA 1.839 63.893 62.100 -0.077 0.000 1.141 664 T CB -0.107 68.715 68.868 -0.077 0.000 0.869 664 T HN 0.486 nan 8.240 nan 0.000 0.437 665 T N -1.129 113.389 114.554 -0.059 0.000 3.001 665 T HA 0.197 4.548 4.350 0.001 0.000 0.251 665 T C 0.781 175.483 174.700 0.003 0.000 1.040 665 T CA 0.027 62.123 62.100 -0.007 0.000 0.985 665 T CB -0.109 68.782 68.868 0.039 0.000 1.011 665 T HN 0.373 nan 8.240 nan 0.000 0.509 666 Q N 0.437 120.219 119.800 -0.029 0.000 2.503 666 Q HA -0.161 4.180 4.340 0.001 0.000 0.267 666 Q C -0.250 175.775 176.000 0.043 0.000 1.030 666 Q CA 0.744 56.542 55.803 -0.007 0.000 1.041 666 Q CB -1.596 27.143 28.738 0.003 0.000 1.406 666 Q HN 0.822 nan 8.270 nan 0.000 0.524 667 E N 1.152 121.404 120.200 0.087 0.000 2.283 667 E HA 0.307 4.658 4.350 0.001 0.000 0.278 667 E C -0.230 176.562 176.600 0.321 0.000 1.027 667 E CA 0.331 56.872 56.400 0.235 0.000 0.843 667 E CB 0.824 30.772 29.700 0.414 0.000 1.062 667 E HN 0.213 nan 8.360 nan 0.000 0.401 668 T N 2.341 117.054 114.554 0.264 0.000 2.908 668 T HA 0.675 5.025 4.350 0.001 0.000 0.290 668 T C -0.220 174.601 174.700 0.201 0.000 1.034 668 T CA -1.034 61.213 62.100 0.246 0.000 1.010 668 T CB 1.668 70.608 68.868 0.120 0.000 1.068 668 T HN 0.435 nan 8.240 nan 0.000 0.481 669 R N 0.147 120.755 120.500 0.181 0.000 2.698 669 R HA 0.477 4.818 4.340 0.001 0.000 0.275 669 R C -1.057 175.275 176.300 0.053 0.000 1.001 669 R CA -0.851 55.285 56.100 0.061 0.000 0.896 669 R CB 2.515 32.789 30.300 -0.044 0.000 1.218 669 R HN 0.777 nan 8.270 nan 0.000 0.462 670 E N 3.304 123.516 120.200 0.019 0.000 2.197 670 E HA 0.282 4.633 4.350 0.001 0.000 0.281 670 E C -0.714 175.893 176.600 0.012 0.000 0.995 670 E CA -0.491 55.919 56.400 0.017 0.000 0.808 670 E CB 0.867 30.574 29.700 0.011 0.000 1.093 670 E HN 0.295 nan 8.360 nan 0.000 0.394 671 I N 5.401 125.994 120.570 0.038 0.000 2.509 671 I HA 0.304 4.474 4.170 0.001 0.000 0.293 671 I C -0.239 175.915 176.117 0.062 0.000 1.020 671 I CA -0.793 60.556 61.300 0.081 0.000 1.088 671 I CB 1.426 39.546 38.000 0.200 0.000 1.267 671 I HN 0.545 nan 8.210 nan 0.000 0.430 672 L N 5.344 126.592 121.223 0.043 0.000 2.295 672 L HA 0.392 4.733 4.340 0.001 0.000 0.285 672 L C 0.064 176.843 176.870 -0.151 0.000 1.035 672 L CA -0.462 54.306 54.840 -0.121 0.000 0.806 672 L CB 1.130 43.090 42.059 -0.165 0.000 1.214 672 L HN 0.512 nan 8.230 nan 0.000 0.426 673 H N 4.266 123.106 119.070 -0.384 0.000 2.551 673 H HA 0.346 4.903 4.556 0.001 0.000 0.321 673 H C -1.511 173.562 175.328 -0.425 0.000 1.028 673 H CA -0.597 55.293 56.048 -0.264 0.000 1.215 673 H CB 0.924 30.566 29.762 -0.200 0.000 1.414 673 H HN 0.348 nan 8.280 nan 0.000 0.480 674 F N 4.558 124.382 119.950 -0.210 0.000 2.361 674 F HA 0.194 4.722 4.527 0.001 0.000 0.364 674 F C 0.482 176.311 175.800 0.049 0.000 1.117 674 F CA -0.582 57.391 58.000 -0.046 0.000 1.071 674 F CB 0.725 39.602 39.000 -0.206 0.000 1.188 674 F HN 0.537 nan 8.300 nan 0.000 0.464 675 H N 3.923 123.090 119.070 0.161 0.000 2.638 675 H HA 0.217 4.774 4.556 0.002 0.000 0.303 675 H C -1.398 174.056 175.328 0.210 0.000 1.034 675 H CA -0.920 55.167 56.048 0.065 0.000 1.225 675 H CB 0.746 30.494 29.762 -0.024 0.000 1.394 675 H HN 0.676 nan 8.280 nan 0.000 0.477 676 Y N 5.012 125.317 120.300 0.009 0.000 2.436 676 Y HA 0.017 4.568 4.550 0.001 0.000 0.343 676 Y C 1.077 176.909 175.900 -0.113 0.000 1.008 676 Y CA 0.148 58.093 58.100 -0.258 0.000 1.241 676 Y CB 0.978 39.090 38.460 -0.579 0.000 1.153 676 Y HN 0.703 nan 8.280 nan 0.000 0.521 677 T N -0.666 113.631 114.554 -0.428 0.000 3.122 677 T HA 0.040 4.391 4.350 0.001 0.000 0.250 677 T C 0.581 175.192 174.700 -0.148 0.000 1.067 677 T CA 0.464 62.362 62.100 -0.337 0.000 0.966 677 T CB -0.431 68.201 68.868 -0.393 0.000 1.002 677 T HN 0.650 nan 8.240 nan 0.000 0.542 678 T N -1.643 112.804 114.554 -0.179 0.000 3.741 678 T HA 0.333 4.684 4.350 0.001 0.000 0.242 678 T C -1.222 173.713 174.700 0.391 0.000 1.042 678 T CA -0.746 61.400 62.100 0.076 0.000 1.278 678 T CB -0.318 68.606 68.868 0.092 0.000 0.994 678 T HN 0.350 nan 8.240 nan 0.000 0.594 679 W N 3.664 125.103 121.300 0.232 0.000 2.516 679 W HA 0.484 5.145 4.660 0.001 0.000 0.293 679 W C -3.167 173.396 176.519 0.073 0.000 1.006 679 W CA -3.134 54.319 57.345 0.180 0.000 1.483 679 W CB 1.457 31.023 29.460 0.177 0.000 1.316 679 W HN 0.211 nan 8.180 nan 0.000 0.411 680 P HA -0.013 nan 4.420 nan 0.000 0.267 680 P C 0.048 177.453 177.300 0.174 0.000 1.200 680 P CA 0.555 63.799 63.100 0.241 0.000 0.772 680 P CB 0.792 32.611 31.700 0.199 0.000 0.855 681 D N 3.095 123.547 120.400 0.086 0.000 2.458 681 D HA -0.056 4.584 4.640 0.001 0.000 0.243 681 D C 0.240 176.628 176.300 0.146 0.000 1.146 681 D CA -0.158 53.818 54.000 -0.040 0.000 0.877 681 D CB -0.170 40.640 40.800 0.016 0.000 1.176 681 D HN 0.443 nan 8.370 nan 0.000 0.461 682 F N -0.338 119.601 119.950 -0.018 0.000 2.748 682 F HA -0.212 4.316 4.527 0.002 0.000 0.370 682 F C 1.354 177.175 175.800 0.036 0.000 0.620 682 F CA 1.013 59.012 58.000 -0.003 0.000 1.233 682 F CB -1.397 37.598 39.000 -0.010 0.000 1.708 682 F HN 0.642 nan 8.300 nan 0.000 0.298 683 G N -0.295 108.647 108.800 0.237 0.000 2.671 683 G HA2 0.694 4.655 3.960 0.001 0.000 0.275 683 G HA3 0.694 4.655 3.960 0.001 0.000 0.275 683 G C -0.321 174.702 174.900 0.204 0.000 1.368 683 G CA -0.027 45.185 45.100 0.186 0.000 1.044 683 G HN 0.631 nan 8.290 nan 0.000 0.543 684 V N -3.445 116.435 119.914 -0.058 0.000 3.158 684 V HA 0.781 4.902 4.120 0.001 0.000 0.315 684 V C -2.793 172.713 176.094 -0.980 0.000 1.148 684 V CA -2.592 59.380 62.300 -0.546 0.000 1.042 684 V CB 1.623 33.106 31.823 -0.565 0.000 1.101 684 V HN 0.493 nan 8.190 nan 0.000 0.448 685 P HA 0.170 nan 4.420 nan 0.000 0.272 685 P C 0.815 177.879 177.300 -0.393 0.000 1.223 685 P CA -0.034 62.383 63.100 -1.140 0.000 0.784 685 P CB 0.490 31.412 31.700 -1.297 0.000 0.923 686 E N 1.107 121.226 120.200 -0.135 0.000 2.208 686 E HA -0.199 4.152 4.350 0.001 0.000 0.202 686 E C 0.012 176.526 176.600 -0.144 0.000 1.014 686 E CA 1.749 58.056 56.400 -0.155 0.000 0.819 686 E CB 0.048 29.524 29.700 -0.372 0.000 0.735 686 E HN 0.582 nan 8.360 nan 0.000 0.469 687 S N -3.574 112.083 115.700 -0.071 0.000 2.614 687 S HA 0.238 4.709 4.470 0.001 0.000 0.280 687 S C -2.699 171.974 174.600 0.123 0.000 1.111 687 S CA -0.953 57.254 58.200 0.012 0.000 0.847 687 S CB 1.547 64.709 63.200 -0.063 0.000 1.079 687 S HN -0.272 nan 8.310 nan 0.000 0.452 688 P HA 0.039 nan 4.420 nan 0.000 0.218 688 P C 1.634 179.008 177.300 0.123 0.000 1.149 688 P CA 2.026 65.089 63.100 -0.062 0.000 0.817 688 P CB -0.133 31.388 31.700 -0.297 0.000 0.785 689 A N 0.091 122.957 122.820 0.078 0.000 1.902 689 A HA -0.185 4.136 4.320 0.001 0.000 0.217 689 A C 2.375 180.038 177.584 0.131 0.000 1.181 689 A CA 2.277 54.365 52.037 0.085 0.000 0.623 689 A CB -1.575 17.453 19.000 0.045 0.000 0.818 689 A HN 0.338 nan 8.150 nan 0.000 0.443 690 S N -1.186 114.596 115.700 0.136 0.000 2.387 690 S HA -0.135 4.336 4.470 0.001 0.000 0.226 690 S C 1.851 176.699 174.600 0.414 0.000 1.026 690 S CA 1.268 59.611 58.200 0.238 0.000 0.972 690 S CB -0.741 62.459 63.200 0.001 0.000 0.814 690 S HN 0.533 nan 8.310 nan 0.000 0.477 691 F N 2.590 122.648 119.950 0.181 0.000 2.051 691 F HA 0.054 4.582 4.527 0.002 0.000 0.296 691 F C 1.971 177.901 175.800 0.216 0.000 1.122 691 F CA 1.418 59.488 58.000 0.117 0.000 1.201 691 F CB -0.510 38.536 39.000 0.078 0.000 0.978 691 F HN 0.136 nan 8.300 nan 0.000 0.472 692 L N 0.462 121.819 121.223 0.224 0.000 2.012 692 L HA -0.294 4.046 4.340 0.001 0.000 0.210 692 L C 2.487 179.383 176.870 0.043 0.000 1.073 692 L CA 1.967 56.861 54.840 0.090 0.000 0.748 692 L CB -1.155 41.000 42.059 0.159 0.000 0.891 692 L HN 0.366 nan 8.230 nan 0.000 0.431 693 N N -0.038 118.719 118.700 0.096 0.000 2.137 693 N HA -0.283 4.458 4.740 0.001 0.000 0.190 693 N C 2.061 177.658 175.510 0.146 0.000 1.017 693 N CA 1.464 54.578 53.050 0.107 0.000 0.859 693 N CB -0.050 38.560 38.487 0.205 0.000 1.002 693 N HN 0.246 nan 8.380 nan 0.000 0.428 694 F N 1.534 121.457 119.950 -0.045 0.000 2.084 694 F HA -0.113 4.415 4.527 0.002 0.000 0.296 694 F C 2.187 177.833 175.800 -0.257 0.000 1.111 694 F CA 0.754 58.566 58.000 -0.313 0.000 1.224 694 F CB -0.647 38.242 39.000 -0.185 0.000 0.991 694 F HN 0.035 nan 8.300 nan 0.000 0.471 695 L N -0.004 121.087 121.223 -0.220 0.000 2.079 695 L HA -0.208 4.133 4.340 0.001 0.000 0.210 695 L C 2.127 178.849 176.870 -0.247 0.000 1.081 695 L CA 1.899 56.563 54.840 -0.293 0.000 0.752 695 L CB -1.441 40.388 42.059 -0.384 0.000 0.896 695 L HN 0.332 nan 8.230 nan 0.000 0.433 696 F N 0.050 119.840 119.950 -0.267 0.000 2.186 696 F HA -0.178 4.350 4.527 0.002 0.000 0.299 696 F C 2.385 178.042 175.800 -0.239 0.000 1.090 696 F CA 1.608 59.487 58.000 -0.200 0.000 1.307 696 F CB -0.087 38.834 39.000 -0.132 0.000 1.019 696 F HN 0.043 nan 8.300 nan 0.000 0.489 697 K N 0.367 120.735 120.400 -0.054 0.000 2.097 697 K HA -0.102 4.219 4.320 0.001 0.000 0.206 697 K C 1.808 178.130 176.600 -0.464 0.000 1.049 697 K CA 1.687 57.897 56.287 -0.127 0.000 0.933 697 K CB -0.611 31.782 32.500 -0.179 0.000 0.717 697 K HN 0.257 nan 8.250 nan 0.000 0.442 698 V N 0.269 119.686 119.914 -0.828 0.000 2.323 698 V HA -0.153 3.968 4.120 0.001 0.000 0.244 698 V C 2.320 178.053 176.094 -0.602 0.000 1.041 698 V CA 1.745 63.366 62.300 -1.131 0.000 1.025 698 V CB -0.397 30.836 31.823 -0.983 0.000 0.656 698 V HN 0.268 nan 8.190 nan 0.000 0.451 699 R N 0.403 120.631 120.500 -0.453 0.000 2.073 699 R HA -0.216 4.125 4.340 0.001 0.000 0.234 699 R C 2.399 178.469 176.300 -0.382 0.000 1.134 699 R CA 1.934 57.821 56.100 -0.355 0.000 0.952 699 R CB -0.401 29.694 30.300 -0.342 0.000 0.850 699 R HN 0.800 nan 8.270 nan 0.000 0.433 700 E N 0.724 120.590 120.200 -0.556 0.000 2.333 700 E HA -0.134 4.217 4.350 0.001 0.000 0.198 700 E C 1.408 177.879 176.600 -0.215 0.000 1.007 700 E CA 1.449 57.569 56.400 -0.467 0.000 0.845 700 E CB -0.013 29.285 29.700 -0.671 0.000 0.766 700 E HN 0.275 nan 8.360 nan 0.000 0.507 701 S N -0.478 115.126 115.700 -0.161 0.000 2.522 701 S HA 0.145 4.615 4.470 0.001 0.000 0.227 701 S C 1.781 176.386 174.600 0.007 0.000 0.986 701 S CA 0.421 58.618 58.200 -0.005 0.000 0.929 701 S CB -0.088 63.208 63.200 0.160 0.000 0.769 701 S HN 0.647 nan 8.310 nan 0.000 0.529 702 G N 0.631 109.404 108.800 -0.045 0.000 2.179 702 G HA2 -0.321 3.640 3.960 0.001 0.000 0.260 702 G HA3 -0.321 3.640 3.960 0.001 0.000 0.260 702 G C 0.958 175.908 174.900 0.083 0.000 0.977 702 G CA 0.494 45.601 45.100 0.012 0.000 0.641 702 G HN 0.609 nan 8.290 nan 0.000 0.533 703 S N -0.308 115.408 115.700 0.026 0.000 2.442 703 S HA 0.088 4.559 4.470 0.001 0.000 0.236 703 S C 2.016 176.624 174.600 0.014 0.000 1.007 703 S CA 1.219 59.431 58.200 0.020 0.000 0.965 703 S CB -0.085 63.136 63.200 0.035 0.000 0.773 703 S HN 0.504 nan 8.310 nan 0.000 0.504 704 L N 1.015 122.227 121.223 -0.019 0.000 2.592 704 L HA 0.204 4.544 4.340 0.001 0.000 0.227 704 L C 1.062 177.914 176.870 -0.030 0.000 1.127 704 L CA -0.229 54.594 54.840 -0.029 0.000 0.884 704 L CB -0.037 41.994 42.059 -0.047 0.000 1.065 704 L HN 0.134 nan 8.230 nan 0.000 0.457 705 S N 1.202 116.911 115.700 0.014 0.000 2.558 705 S HA 0.068 4.539 4.470 0.001 0.000 0.288 705 S C -1.091 173.488 174.600 -0.034 0.000 1.318 705 S CA -1.028 57.160 58.200 -0.020 0.000 1.056 705 S CB 0.699 63.883 63.200 -0.028 0.000 0.853 705 S HN 0.068 nan 8.310 nan 0.000 0.505 706 P HA -0.026 nan 4.420 nan 0.000 0.236 706 P C 0.613 177.853 177.300 -0.099 0.000 1.177 706 P CA 0.573 63.623 63.100 -0.083 0.000 0.773 706 P CB -0.170 31.478 31.700 -0.086 0.000 0.878 707 E N -1.436 118.664 120.200 -0.167 0.000 2.511 707 E HA -0.074 4.277 4.350 0.001 0.000 0.196 707 E C 0.379 176.825 176.600 -0.257 0.000 1.066 707 E CA 0.216 56.480 56.400 -0.227 0.000 0.871 707 E CB -0.354 29.159 29.700 -0.312 0.000 0.863 707 E HN 0.325 nan 8.360 nan 0.000 0.520 708 H N 0.028 119.056 119.070 -0.069 0.000 2.771 708 H HA 0.500 5.056 4.556 0.001 0.000 0.344 708 H C 0.263 175.541 175.328 -0.084 0.000 1.260 708 H CA -0.464 55.539 56.048 -0.074 0.000 1.276 708 H CB 1.265 30.988 29.762 -0.065 0.000 1.881 708 H HN 0.144 nan 8.280 nan 0.000 0.615 709 G N 0.872 109.715 108.800 0.071 0.000 2.507 709 G HA2 0.262 4.223 3.960 0.001 0.000 0.271 709 G HA3 0.262 4.223 3.960 0.001 0.000 0.271 709 G C -2.359 172.517 174.900 -0.040 0.000 1.189 709 G CA -1.098 43.987 45.100 -0.025 0.000 0.859 709 G HN 0.329 nan 8.290 nan 0.000 0.542 710 P HA 0.037 nan 4.420 nan 0.000 0.265 710 P C 0.477 177.747 177.300 -0.049 0.000 1.193 710 P CA -0.114 62.938 63.100 -0.081 0.000 0.765 710 P CB 1.144 32.784 31.700 -0.100 0.000 0.823 711 V N 4.658 124.566 119.914 -0.010 0.000 2.999 711 V HA -0.002 4.119 4.120 0.001 0.000 0.307 711 V C -0.063 176.047 176.094 0.026 0.000 1.084 711 V CA 0.028 62.341 62.300 0.022 0.000 1.155 711 V CB 0.898 32.766 31.823 0.075 0.000 0.975 711 V HN 0.245 nan 8.190 nan 0.000 0.490 712 V N 6.813 126.722 119.914 -0.009 0.000 2.407 712 V HA 0.422 4.542 4.120 0.001 0.000 0.278 712 V C -0.081 176.020 176.094 0.012 0.000 1.037 712 V CA -0.236 62.044 62.300 -0.034 0.000 0.900 712 V CB 1.447 33.177 31.823 -0.155 0.000 0.983 712 V HN 0.724 nan 8.190 nan 0.000 0.459 713 V N 5.515 125.433 119.914 0.006 0.000 2.604 713 V HA 0.721 4.842 4.120 0.001 0.000 0.305 713 V C -0.544 175.545 176.094 -0.008 0.000 1.043 713 V CA -0.588 61.664 62.300 -0.080 0.000 0.888 713 V CB 1.729 33.463 31.823 -0.148 0.000 0.995 713 V HN 1.191 nan 8.190 nan 0.000 0.429 714 H N 1.869 120.864 119.070 -0.126 0.000 3.014 714 H HA 0.833 5.390 4.556 0.001 0.000 0.337 714 H C -0.414 174.829 175.328 -0.141 0.000 1.320 714 H CA -0.214 55.767 56.048 -0.111 0.000 1.128 714 H CB 1.301 31.024 29.762 -0.064 0.000 1.862 714 H HN 0.772 nan 8.280 nan 0.000 0.536 715 C N -0.550 118.764 119.300 0.022 0.000 4.331 715 C HA 0.643 5.104 4.460 0.001 0.000 0.199 715 C C 1.824 176.901 174.990 0.146 0.000 3.717 715 C CA 0.299 59.284 59.018 -0.055 0.000 1.767 715 C CB 0.869 28.459 27.740 -0.249 0.000 4.439 715 C HN 0.825 nan 8.230 nan 0.000 0.476 716 S N 0.244 115.967 115.700 0.038 0.000 2.398 716 S HA 0.251 4.722 4.470 0.001 0.000 0.220 716 S C 1.781 176.497 174.600 0.193 0.000 1.046 716 S CA 1.307 59.581 58.200 0.123 0.000 0.953 716 S CB -0.591 62.687 63.200 0.129 0.000 0.856 716 S HN 1.046 nan 8.310 nan 0.000 0.506 717 A N -0.359 122.528 122.820 0.111 0.000 2.220 717 A HA 0.529 4.850 4.320 0.001 0.000 0.211 717 A C 1.502 179.102 177.584 0.027 0.000 1.176 717 A CA 0.829 52.941 52.037 0.125 0.000 0.834 717 A CB -0.721 18.207 19.000 -0.120 0.000 0.868 717 A HN 1.357 nan 8.150 nan 0.000 0.488 718 G N -0.003 108.784 108.800 -0.022 0.000 2.198 718 G HA2 -0.280 3.681 3.960 0.001 0.000 0.257 718 G HA3 -0.280 3.681 3.960 0.001 0.000 0.257 718 G C 0.620 175.479 174.900 -0.070 0.000 1.042 718 G CA 0.911 45.989 45.100 -0.036 0.000 0.791 718 G HN 1.348 nan 8.290 nan 0.000 0.502 719 I N -5.141 115.363 120.570 -0.111 0.000 4.547 719 I HA 0.414 4.585 4.170 0.001 0.000 0.303 719 I C 1.981 178.028 176.117 -0.116 0.000 1.188 719 I CA 0.803 62.050 61.300 -0.089 0.000 1.320 719 I CB -0.496 37.465 38.000 -0.064 0.000 1.495 719 I HN 0.066 nan 8.210 nan 0.000 0.462 720 G N 1.922 110.595 108.800 -0.211 0.000 2.616 720 G HA2 -0.101 3.860 3.960 0.001 0.000 0.215 720 G HA3 -0.101 3.860 3.960 0.001 0.000 0.215 720 G C 1.642 176.374 174.900 -0.279 0.000 1.284 720 G CA 0.876 45.826 45.100 -0.250 0.000 0.823 720 G HN 0.246 nan 8.290 nan 0.000 0.569 721 R N 0.336 120.537 120.500 -0.499 0.000 2.096 721 R HA -0.015 4.326 4.340 0.001 0.000 0.235 721 R C 3.044 179.063 176.300 -0.469 0.000 1.127 721 R CA 1.451 57.062 56.100 -0.814 0.000 0.968 721 R CB -0.268 29.187 30.300 -1.408 0.000 0.861 721 R HN 0.332 nan 8.270 nan 0.000 0.440 722 S N -0.108 115.410 115.700 -0.304 0.000 2.383 722 S HA -0.079 4.391 4.470 0.001 0.000 0.227 722 S C 2.043 176.631 174.600 -0.021 0.000 1.026 722 S CA 1.176 59.290 58.200 -0.143 0.000 0.981 722 S CB -0.379 62.739 63.200 -0.137 0.000 0.818 722 S HN 0.604 nan 8.310 nan 0.000 0.472 723 G N 1.702 110.479 108.800 -0.039 0.000 2.421 723 G HA2 -0.201 3.760 3.960 0.001 0.000 0.216 723 G HA3 -0.201 3.760 3.960 0.001 0.000 0.216 723 G C 1.456 176.399 174.900 0.072 0.000 1.171 723 G CA 1.526 46.636 45.100 0.018 0.000 0.775 723 G HN 0.490 nan 8.290 nan 0.000 0.543 724 T N 0.763 115.375 114.554 0.097 0.000 2.720 724 T HA -0.147 4.204 4.350 0.001 0.000 0.268 724 T C 1.927 176.796 174.700 0.281 0.000 1.037 724 T CA 1.223 63.433 62.100 0.183 0.000 1.144 724 T CB -0.315 68.701 68.868 0.246 0.000 0.864 724 T HN 0.264 nan 8.240 nan 0.000 0.444 725 F N 1.457 121.549 119.950 0.236 0.000 2.069 725 F HA -0.189 4.339 4.527 0.001 0.000 0.298 725 F C 2.416 178.290 175.800 0.123 0.000 1.113 725 F CA 1.075 59.287 58.000 0.353 0.000 1.214 725 F CB -0.639 38.487 39.000 0.210 0.000 0.978 725 F HN 0.166 nan 8.300 nan 0.000 0.474 726 C N 0.042 119.355 119.300 0.022 0.000 2.440 726 C HA -0.077 4.384 4.460 0.001 0.000 0.278 726 C C 2.602 177.500 174.990 -0.152 0.000 1.295 726 C CA 0.556 59.364 59.018 -0.349 0.000 1.738 726 C CB -1.440 25.907 27.740 -0.654 0.000 1.987 726 C HN 0.641 nan 8.230 nan 0.000 0.492 727 L N 2.190 123.397 121.223 -0.026 0.000 1.989 727 L HA -0.093 4.248 4.340 0.001 0.000 0.211 727 L C 2.640 179.517 176.870 0.012 0.000 1.071 727 L CA 2.446 57.302 54.840 0.027 0.000 0.749 727 L CB -1.035 41.064 42.059 0.066 0.000 0.890 727 L HN 0.279 nan 8.230 nan 0.000 0.431 728 A N -0.684 122.148 122.820 0.020 0.000 1.865 728 A HA -0.316 4.005 4.320 0.001 0.000 0.217 728 A C 2.100 179.676 177.584 -0.014 0.000 1.191 728 A CA 2.057 54.113 52.037 0.032 0.000 0.623 728 A CB -1.242 17.851 19.000 0.154 0.000 0.826 728 A HN 0.607 nan 8.150 nan 0.000 0.444 729 D N -1.026 119.302 120.400 -0.121 0.000 2.103 729 D HA -0.154 4.487 4.640 0.001 0.000 0.190 729 D C 1.974 178.280 176.300 0.011 0.000 0.997 729 D CA 2.389 56.319 54.000 -0.115 0.000 0.833 729 D CB -0.520 40.155 40.800 -0.208 0.000 0.961 729 D HN 0.349 nan 8.370 nan 0.000 0.447 730 T N -0.644 113.955 114.554 0.074 0.000 2.635 730 T HA -0.226 4.125 4.350 0.001 0.000 0.267 730 T C 2.282 177.011 174.700 0.049 0.000 1.040 730 T CA 1.625 63.787 62.100 0.103 0.000 1.156 730 T CB -0.909 68.046 68.868 0.144 0.000 0.863 730 T HN 0.311 nan 8.240 nan 0.000 0.430 731 C N 0.890 120.207 119.300 0.028 0.000 2.398 731 C HA -0.035 4.426 4.460 0.001 0.000 0.276 731 C C 2.746 177.742 174.990 0.009 0.000 1.222 731 C CA 0.499 59.520 59.018 0.006 0.000 1.746 731 C CB -1.486 26.237 27.740 -0.028 0.000 2.039 731 C HN 0.528 nan 8.230 nan 0.000 0.470 732 L N 0.038 121.269 121.223 0.014 0.000 2.127 732 L HA -0.196 4.144 4.340 0.001 0.000 0.211 732 L C 2.528 179.411 176.870 0.023 0.000 1.089 732 L CA 1.272 56.127 54.840 0.024 0.000 0.757 732 L CB -0.493 41.584 42.059 0.031 0.000 0.899 732 L HN 0.453 nan 8.230 nan 0.000 0.434 733 L N -0.840 120.394 121.223 0.019 0.000 1.988 733 L HA -0.232 4.109 4.340 0.001 0.000 0.207 733 L C 2.501 179.380 176.870 0.015 0.000 1.071 733 L CA 1.222 56.071 54.840 0.014 0.000 0.744 733 L CB -0.516 41.550 42.059 0.013 0.000 0.893 733 L HN 0.250 nan 8.230 nan 0.000 0.433 734 L N -0.691 120.543 121.223 0.019 0.000 2.129 734 L HA -0.290 4.051 4.340 0.001 0.000 0.212 734 L C 2.727 179.607 176.870 0.017 0.000 1.087 734 L CA 1.386 56.237 54.840 0.018 0.000 0.757 734 L CB -0.385 41.686 42.059 0.021 0.000 0.896 734 L HN 0.379 nan 8.230 nan 0.000 0.434 735 M N -1.220 118.391 119.600 0.019 0.000 2.123 735 M HA -0.195 4.286 4.480 0.001 0.000 0.263 735 M C 1.956 178.269 176.300 0.022 0.000 1.069 735 M CA 1.507 56.821 55.300 0.023 0.000 1.133 735 M CB -0.678 31.941 32.600 0.031 0.000 1.356 735 M HN 0.178 nan 8.290 nan 0.000 0.415 736 D N 0.970 121.382 120.400 0.021 0.000 2.149 736 D HA -0.173 4.468 4.640 0.001 0.000 0.198 736 D C 1.914 178.221 176.300 0.012 0.000 0.990 736 D CA 1.346 55.356 54.000 0.017 0.000 0.839 736 D CB 0.034 40.843 40.800 0.016 0.000 0.948 736 D HN 0.327 nan 8.370 nan 0.000 0.460 737 K N -0.116 120.290 120.400 0.010 0.000 2.044 737 K HA -0.023 4.298 4.320 0.001 0.000 0.204 737 K C 0.969 177.575 176.600 0.009 0.000 1.049 737 K CA 0.175 56.466 56.287 0.007 0.000 0.945 737 K CB 0.271 32.774 32.500 0.005 0.000 0.724 737 K HN -0.076 nan 8.250 nan 0.000 0.440 738 R N 0.365 120.872 120.500 0.013 0.000 2.738 738 R HA 0.020 4.361 4.340 0.001 0.000 0.268 738 R C 1.484 177.792 176.300 0.014 0.000 1.062 738 R CA 0.518 56.627 56.100 0.014 0.000 1.158 738 R CB 0.807 31.117 30.300 0.016 0.000 1.046 738 R HN 0.196 nan 8.270 nan 0.000 0.493 739 K N 1.433 121.841 120.400 0.013 0.000 1.975 739 K HA -0.109 4.212 4.320 0.001 0.000 0.210 739 K C 0.613 177.223 176.600 0.016 0.000 1.041 739 K CA 1.780 58.075 56.287 0.013 0.000 0.942 739 K CB -0.533 31.974 32.500 0.011 0.000 0.729 739 K HN 0.759 nan 8.250 nan 0.000 0.439 740 D N 0.167 120.577 120.400 0.017 0.000 2.295 740 D HA 0.152 4.793 4.640 0.001 0.000 0.248 740 D C -1.840 174.473 176.300 0.022 0.000 1.154 740 D CA -2.586 51.425 54.000 0.020 0.000 0.857 740 D CB 1.798 42.608 40.800 0.018 0.000 1.117 740 D HN 0.105 nan 8.370 nan 0.000 0.468 741 P HA 0.011 nan 4.420 nan 0.000 0.240 741 P C 0.588 177.903 177.300 0.025 0.000 1.190 741 P CA 0.157 63.276 63.100 0.031 0.000 0.781 741 P CB 0.443 32.172 31.700 0.048 0.000 0.931 742 S N 0.314 116.028 115.700 0.023 0.000 2.527 742 S HA -0.039 4.432 4.470 0.001 0.000 0.222 742 S C 1.903 176.513 174.600 0.018 0.000 0.985 742 S CA 0.915 59.125 58.200 0.017 0.000 0.921 742 S CB -0.645 62.564 63.200 0.015 0.000 0.772 742 S HN 0.347 nan 8.310 nan 0.000 0.529 743 S N 1.042 116.753 115.700 0.018 0.000 2.555 743 S HA 0.042 4.512 4.470 0.001 0.000 0.230 743 S C 0.615 175.226 174.600 0.018 0.000 0.978 743 S CA -0.097 58.114 58.200 0.019 0.000 0.934 743 S CB -0.564 62.647 63.200 0.018 0.000 0.766 743 S HN 0.182 nan 8.310 nan 0.000 0.533 744 V N 3.245 123.166 119.914 0.012 0.000 2.439 744 V HA 0.231 4.352 4.120 0.001 0.000 0.271 744 V C 0.045 176.137 176.094 -0.003 0.000 1.040 744 V CA -0.371 61.931 62.300 0.004 0.000 1.002 744 V CB 0.585 32.404 31.823 -0.007 0.000 1.000 744 V HN 0.312 nan 8.190 nan 0.000 0.477 745 D N 5.269 125.675 120.400 0.010 0.000 2.479 745 D HA 0.243 4.884 4.640 0.001 0.000 0.218 745 D C 1.223 177.525 176.300 0.003 0.000 1.131 745 D CA -0.468 53.546 54.000 0.023 0.000 0.916 745 D CB 0.665 41.492 40.800 0.046 0.000 1.022 745 D HN 0.292 nan 8.370 nan 0.000 0.515 746 I N 3.017 123.536 120.570 -0.084 0.000 2.145 746 I HA -0.309 3.862 4.170 0.001 0.000 0.244 746 I C 2.200 178.333 176.117 0.028 0.000 1.075 746 I CA 1.235 62.444 61.300 -0.151 0.000 1.332 746 I CB -0.734 36.888 38.000 -0.630 0.000 1.033 746 I HN 0.467 nan 8.210 nan 0.000 0.410 747 K N 1.625 122.104 120.400 0.132 0.000 2.009 747 K HA -0.250 4.071 4.320 0.001 0.000 0.210 747 K C 2.301 178.977 176.600 0.128 0.000 1.049 747 K CA 1.951 58.347 56.287 0.181 0.000 0.929 747 K CB -0.162 32.460 32.500 0.203 0.000 0.714 747 K HN 0.167 nan 8.250 nan 0.000 0.440 748 K N 0.316 120.776 120.400 0.099 0.000 2.063 748 K HA -0.138 4.183 4.320 0.001 0.000 0.208 748 K C 1.873 178.530 176.600 0.095 0.000 1.048 748 K CA 1.670 58.008 56.287 0.086 0.000 0.928 748 K CB -0.028 32.513 32.500 0.069 0.000 0.713 748 K HN 0.072 nan 8.250 nan 0.000 0.442 749 V N 1.534 121.500 119.914 0.087 0.000 2.343 749 V HA -0.241 3.880 4.120 0.001 0.000 0.247 749 V C 2.271 178.443 176.094 0.129 0.000 1.051 749 V CA 1.529 63.889 62.300 0.099 0.000 1.036 749 V CB -0.441 31.424 31.823 0.070 0.000 0.654 749 V HN 0.379 nan 8.190 nan 0.000 0.451 750 L N -0.477 120.823 121.223 0.128 0.000 2.093 750 L HA -0.085 4.256 4.340 0.001 0.000 0.208 750 L C 2.131 179.100 176.870 0.166 0.000 1.085 750 L CA 1.760 56.692 54.840 0.153 0.000 0.755 750 L CB -0.522 41.637 42.059 0.167 0.000 0.904 750 L HN 0.194 nan 8.230 nan 0.000 0.435 751 L N -0.585 120.725 121.223 0.146 0.000 2.141 751 L HA -0.190 4.151 4.340 0.001 0.000 0.209 751 L C 2.572 179.532 176.870 0.149 0.000 1.094 751 L CA 1.531 56.450 54.840 0.132 0.000 0.763 751 L CB -0.463 41.656 42.059 0.099 0.000 0.908 751 L HN 0.463 nan 8.230 nan 0.000 0.437 752 E N 0.215 120.511 120.200 0.160 0.000 2.072 752 E HA -0.271 4.079 4.350 0.001 0.000 0.191 752 E C 2.304 179.087 176.600 0.306 0.000 0.985 752 E CA 1.110 57.623 56.400 0.189 0.000 0.801 752 E CB 0.003 29.814 29.700 0.185 0.000 0.750 752 E HN 0.387 nan 8.360 nan 0.000 0.452 753 M N 0.256 120.049 119.600 0.321 0.000 2.132 753 M HA -0.095 4.386 4.480 0.001 0.000 0.263 753 M C 2.049 178.619 176.300 0.450 0.000 1.065 753 M CA 1.346 56.897 55.300 0.419 0.000 1.122 753 M CB 0.108 32.867 32.600 0.264 0.000 1.365 753 M HN -0.054 nan 8.290 nan 0.000 0.411 754 R N -0.293 120.395 120.500 0.313 0.000 2.357 754 R HA -0.118 4.223 4.340 0.001 0.000 0.202 754 R C 1.610 178.153 176.300 0.404 0.000 1.047 754 R CA 0.542 56.830 56.100 0.313 0.000 1.034 754 R CB -0.144 30.295 30.300 0.231 0.000 0.875 754 R HN 0.172 nan 8.270 nan 0.000 0.473 755 K N -0.217 120.366 120.400 0.305 0.000 2.211 755 K HA -0.058 4.263 4.320 0.001 0.000 0.203 755 K C 1.032 177.741 176.600 0.183 0.000 1.050 755 K CA 1.287 57.677 56.287 0.173 0.000 0.945 755 K CB 0.079 32.442 32.500 -0.229 0.000 0.732 755 K HN 0.094 nan 8.250 nan 0.000 0.451 756 F N -0.815 119.389 119.950 0.423 0.000 2.582 756 F HA 0.270 4.798 4.527 0.001 0.000 0.290 756 F C 0.880 176.843 175.800 0.271 0.000 1.115 756 F CA -0.042 58.150 58.000 0.321 0.000 1.445 756 F CB 0.385 39.477 39.000 0.153 0.000 1.126 756 F HN -0.243 nan 8.300 nan 0.000 0.574 757 R N 0.957 121.671 120.500 0.356 0.000 2.626 757 R HA 0.425 4.766 4.340 0.001 0.000 0.274 757 R C -0.745 175.512 176.300 -0.072 0.000 1.031 757 R CA -0.788 55.259 56.100 -0.087 0.000 0.898 757 R CB 1.748 32.035 30.300 -0.022 0.000 1.222 757 R HN 0.093 nan 8.270 nan 0.000 0.455 758 M N 1.377 120.754 119.600 -0.372 0.000 2.226 758 M HA 0.361 4.842 4.480 0.001 0.000 0.324 758 M C 0.900 177.199 176.300 -0.001 0.000 1.112 758 M CA 1.008 56.258 55.300 -0.084 0.000 1.176 758 M CB 0.664 33.184 32.600 -0.132 0.000 1.430 758 M HN 0.778 nan 8.290 nan 0.000 0.462 759 G N 2.237 111.076 108.800 0.064 0.000 2.321 759 G HA2 -0.223 3.738 3.960 0.001 0.000 0.287 759 G HA3 -0.223 3.738 3.960 0.001 0.000 0.287 759 G C -0.141 174.808 174.900 0.082 0.000 1.018 759 G CA 0.206 45.350 45.100 0.074 0.000 0.855 759 G HN 0.761 nan 8.290 nan 0.000 0.507 760 L N -0.131 121.148 121.223 0.095 0.000 2.462 760 L HA 0.416 4.757 4.340 0.001 0.000 0.272 760 L C 1.329 178.282 176.870 0.137 0.000 1.166 760 L CA -0.164 54.729 54.840 0.088 0.000 0.880 760 L CB 0.316 42.438 42.059 0.103 0.000 1.142 760 L HN 0.339 nan 8.230 nan 0.000 0.473 761 I N 3.143 123.771 120.570 0.098 0.000 7.690 761 I HA -0.236 3.935 4.170 0.001 0.000 0.126 761 I C 0.682 176.923 176.117 0.207 0.000 1.844 761 I CA 0.085 61.458 61.300 0.121 0.000 2.037 761 I CB -0.133 37.974 38.000 0.179 0.000 3.696 761 I HN 0.816 nan 8.210 nan 0.000 0.169 762 Q N 2.645 122.507 119.800 0.104 0.000 2.402 762 Q HA 0.100 4.441 4.340 0.001 0.000 0.206 762 Q C 0.980 177.077 176.000 0.162 0.000 0.919 762 Q CA 1.461 57.396 55.803 0.220 0.000 0.923 762 Q CB 0.749 29.581 28.738 0.156 0.000 1.048 762 Q HN 0.857 nan 8.270 nan 0.000 0.515 763 T N -4.891 109.566 114.554 -0.161 0.000 2.901 763 T HA 0.655 5.006 4.350 0.001 0.000 0.293 763 T C 0.812 175.010 174.700 -0.837 0.000 1.084 763 T CA -0.199 61.682 62.100 -0.364 0.000 1.008 763 T CB 1.743 70.563 68.868 -0.079 0.000 1.170 763 T HN -0.086 nan 8.240 nan 0.000 0.509 764 A N 0.332 122.749 122.820 -0.671 0.000 1.969 764 A HA 0.031 4.352 4.320 0.001 0.000 0.218 764 A C 1.881 179.254 177.584 -0.351 0.000 1.169 764 A CA 1.855 53.608 52.037 -0.474 0.000 0.635 764 A CB -1.080 17.860 19.000 -0.100 0.000 0.810 764 A HN 0.915 nan 8.150 nan 0.000 0.445 765 D N -0.861 119.370 120.400 -0.283 0.000 2.234 765 D HA -0.068 4.573 4.640 0.001 0.000 0.205 765 D C 2.092 178.260 176.300 -0.220 0.000 0.962 765 D CA 0.929 54.769 54.000 -0.266 0.000 0.855 765 D CB -0.116 40.592 40.800 -0.153 0.000 0.951 765 D HN 0.557 nan 8.370 nan 0.000 0.500 766 Q N -0.522 119.167 119.800 -0.185 0.000 2.123 766 Q HA -0.086 4.255 4.340 0.001 0.000 0.199 766 Q C 2.035 178.000 176.000 -0.059 0.000 0.966 766 Q CA 0.600 56.344 55.803 -0.098 0.000 0.845 766 Q CB 0.000 28.706 28.738 -0.054 0.000 0.907 766 Q HN 0.265 nan 8.270 nan 0.000 0.439 767 L N 1.133 122.277 121.223 -0.132 0.000 2.017 767 L HA -0.209 4.132 4.340 0.001 0.000 0.208 767 L C 2.416 179.220 176.870 -0.109 0.000 1.073 767 L CA 1.853 56.692 54.840 -0.002 0.000 0.745 767 L CB -0.471 41.624 42.059 0.059 0.000 0.894 767 L HN 0.058 nan 8.230 nan 0.000 0.432 768 R N -1.099 119.031 120.500 -0.617 0.000 2.097 768 R HA -0.291 4.049 4.340 0.001 0.000 0.236 768 R C 2.429 178.537 176.300 -0.321 0.000 1.135 768 R CA 2.336 57.697 56.100 -1.232 0.000 0.934 768 R CB -0.960 28.395 30.300 -1.576 0.000 0.846 768 R HN 0.414 nan 8.270 nan 0.000 0.431 769 F N 1.560 121.313 119.950 -0.329 0.000 2.147 769 F HA -0.270 4.257 4.527 0.001 0.000 0.301 769 F C 2.143 177.837 175.800 -0.177 0.000 1.084 769 F CA 2.080 59.935 58.000 -0.241 0.000 1.268 769 F CB -0.203 38.611 39.000 -0.310 0.000 1.009 769 F HN 0.081 nan 8.300 nan 0.000 0.486 770 S N -0.313 115.469 115.700 0.137 0.000 2.353 770 S HA -0.239 4.232 4.470 0.001 0.000 0.222 770 S C 1.684 176.311 174.600 0.044 0.000 1.035 770 S CA 1.650 59.903 58.200 0.089 0.000 1.025 770 S CB -0.860 62.432 63.200 0.153 0.000 0.902 770 S HN 0.470 nan 8.310 nan 0.000 0.440 771 Y N 1.374 121.685 120.300 0.019 0.000 2.081 771 Y HA -0.164 4.387 4.550 0.002 0.000 0.280 771 Y C 2.342 178.173 175.900 -0.115 0.000 1.163 771 Y CA 1.044 59.212 58.100 0.113 0.000 1.135 771 Y CB -0.946 37.819 38.460 0.509 0.000 0.970 771 Y HN 0.164 nan 8.280 nan 0.000 0.498 772 L N 0.059 121.236 121.223 -0.077 0.000 1.971 772 L HA -0.230 4.111 4.340 0.001 0.000 0.215 772 L C 2.445 179.064 176.870 -0.418 0.000 1.072 772 L CA 2.197 56.744 54.840 -0.489 0.000 0.758 772 L CB -1.394 40.361 42.059 -0.507 0.000 0.889 772 L HN 0.177 nan 8.230 nan 0.000 0.433 773 A N -0.891 121.590 122.820 -0.564 0.000 1.869 773 A HA -0.245 4.075 4.320 0.001 0.000 0.218 773 A C 2.248 179.739 177.584 -0.155 0.000 1.203 773 A CA 2.949 54.706 52.037 -0.467 0.000 0.638 773 A CB -1.452 17.174 19.000 -0.624 0.000 0.831 773 A HN 0.381 nan 8.150 nan 0.000 0.450 774 V N 0.008 119.856 119.914 -0.109 0.000 2.282 774 V HA -0.329 3.792 4.120 0.001 0.000 0.249 774 V C 2.437 178.524 176.094 -0.011 0.000 1.057 774 V CA 2.260 64.540 62.300 -0.034 0.000 1.032 774 V CB -0.815 30.971 31.823 -0.061 0.000 0.645 774 V HN 0.576 nan 8.190 nan 0.000 0.447 775 I N -0.342 120.189 120.570 -0.066 0.000 2.163 775 I HA -0.278 3.893 4.170 0.001 0.000 0.243 775 I C 2.667 178.849 176.117 0.109 0.000 1.085 775 I CA 2.101 63.361 61.300 -0.067 0.000 1.347 775 I CB -0.186 37.650 38.000 -0.273 0.000 1.044 775 I HN 0.443 nan 8.210 nan 0.000 0.408 776 E N 0.620 120.820 120.200 0.001 0.000 2.015 776 E HA -0.173 4.178 4.350 0.001 0.000 0.191 776 E C 2.201 178.823 176.600 0.037 0.000 0.991 776 E CA 1.239 57.669 56.400 0.050 0.000 0.802 776 E CB -0.334 29.359 29.700 -0.012 0.000 0.759 776 E HN 0.458 nan 8.360 nan 0.000 0.447 777 G N 0.280 109.160 108.800 0.134 0.000 2.501 777 G HA2 -0.248 3.713 3.960 0.001 0.000 0.220 777 G HA3 -0.248 3.713 3.960 0.001 0.000 0.220 777 G C 1.522 176.495 174.900 0.122 0.000 1.114 777 G CA 0.769 46.031 45.100 0.271 0.000 0.757 777 G HN 0.403 nan 8.290 nan 0.000 0.559 778 A N 0.771 123.627 122.820 0.059 0.000 1.972 778 A HA 0.015 4.336 4.320 0.001 0.000 0.219 778 A C 2.255 179.722 177.584 -0.196 0.000 1.169 778 A CA 1.813 53.881 52.037 0.051 0.000 0.635 778 A CB -0.271 18.872 19.000 0.240 0.000 0.810 778 A HN 0.413 nan 8.150 nan 0.000 0.446 779 K N -0.678 119.395 120.400 -0.545 0.000 1.980 779 K HA -0.215 4.106 4.320 0.001 0.000 0.223 779 K C 1.621 177.795 176.600 -0.709 0.000 1.052 779 K CA 2.063 57.770 56.287 -0.967 0.000 0.974 779 K CB -0.693 31.016 32.500 -1.318 0.000 0.734 779 K HN 0.499 nan 8.250 nan 0.000 0.447 780 F N 1.487 121.362 119.950 -0.123 0.000 2.091 780 F HA -0.245 4.283 4.527 0.001 0.000 0.299 780 F C 2.353 178.128 175.800 -0.041 0.000 1.103 780 F CA 0.837 58.792 58.000 -0.074 0.000 1.228 780 F CB -0.840 38.130 39.000 -0.051 0.000 0.984 780 F HN -0.001 nan 8.300 nan 0.000 0.477 781 I N 1.355 122.008 120.570 0.138 0.000 2.039 781 I HA -0.321 3.850 4.170 0.001 0.000 0.233 781 I C 2.518 178.651 176.117 0.026 0.000 1.040 781 I CA 2.141 63.497 61.300 0.093 0.000 1.308 781 I CB -1.470 36.582 38.000 0.086 0.000 1.035 781 I HN 0.314 nan 8.210 nan 0.000 0.392 782 M N 0.273 119.862 119.600 -0.018 0.000 2.706 782 M HA 0.232 4.713 4.480 0.001 0.000 0.251 782 M C 0.850 177.118 176.300 -0.054 0.000 1.070 782 M CA 0.973 56.256 55.300 -0.029 0.000 1.073 782 M CB -0.906 31.678 32.600 -0.027 0.000 1.449 782 M HN 0.332 nan 8.290 nan 0.000 0.531 783 G N 0.000 108.764 108.800 -0.060 0.000 5.446 783 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 783 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 783 G CA 0.000 45.063 45.100 -0.061 0.000 0.502 783 G HN 0.000 nan 8.290 nan 0.000 0.925