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 3a8p_1_B DATA FIRST_RESID 504 DATA SEQUENCE VVRKAGWLFF KPLVTLQKER KLELVARRKW KQYWVTLKGC TLLFYETYXX DATA SEQUENCE XXXXXXSAPR CALFAEDSIV QSVPEHPKKE HVFCLSNSCG DVYLFQATSQ DATA SEQUENCE TDLENWVTAI HSACASLFAK KHGKEDTVRL LKSQTRSLLQ KIDMDSKMKK DATA SEQUENCE MAELQLSVVS DPKNRKAIEN QIRQWEQNLE KFHMDLFRMR CYLASLQGGE DATA SEQUENCE LPNPKSLLAA TSRPSKLALG RLGVLSVSSF HALVCSRDD 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 504 V HA 0.000 nan 4.120 nan 0.000 0.244 504 V C 0.000 176.076 176.094 -0.030 0.000 1.182 504 V CA 0.000 62.287 62.300 -0.022 0.000 1.235 504 V CB 0.000 31.807 31.823 -0.027 0.000 1.184 505 V N 6.329 126.220 119.914 -0.038 0.000 2.432 505 V HA 0.448 4.568 4.120 0.000 0.000 0.275 505 V C 1.221 177.264 176.094 -0.086 0.000 1.043 505 V CA 0.411 62.678 62.300 -0.055 0.000 0.925 505 V CB 1.140 32.934 31.823 -0.048 0.000 0.985 505 V HN 0.950 nan 8.190 nan 0.000 0.466 506 R N 3.228 123.662 120.500 -0.111 0.000 2.100 506 R HA 0.109 4.449 4.340 0.000 0.000 0.220 506 R C 0.530 176.690 176.300 -0.234 0.000 1.091 506 R CA 0.825 56.836 56.100 -0.148 0.000 0.986 506 R CB 0.306 30.524 30.300 -0.138 0.000 0.888 506 R HN 0.599 nan 8.270 nan 0.000 0.444 507 K N -0.764 119.456 120.400 -0.302 0.000 2.578 507 K HA 0.522 4.842 4.320 0.000 0.000 0.269 507 K C -2.189 174.117 176.600 -0.490 0.000 0.941 507 K CA -0.350 55.631 56.287 -0.511 0.000 0.847 507 K CB 2.171 34.149 32.500 -0.870 0.000 1.397 507 K HN 0.106 nan 8.250 nan 0.000 0.422 508 A N 1.323 123.848 122.820 -0.491 0.000 2.594 508 A HA 0.947 5.267 4.320 0.000 0.000 0.295 508 A C -0.725 176.521 177.584 -0.563 0.000 1.071 508 A CA -0.234 51.524 52.037 -0.466 0.000 0.685 508 A CB 1.643 20.458 19.000 -0.309 0.000 1.285 508 A HN 1.259 nan 8.150 nan 0.000 0.405 509 G N -1.092 107.120 108.800 -0.979 0.000 2.316 509 G HA2 0.434 4.394 3.960 0.000 0.000 0.296 509 G HA3 0.434 4.394 3.960 0.000 0.000 0.296 509 G C -1.816 172.725 174.900 -0.598 0.000 1.399 509 G CA -0.813 43.856 45.100 -0.718 0.000 0.833 509 G HN 0.874 nan 8.290 nan 0.000 0.565 510 W N -0.039 121.308 121.300 0.078 0.000 2.272 510 W HA 0.707 5.368 4.660 0.000 0.000 0.318 510 W C 0.365 176.931 176.519 0.079 0.000 1.255 510 W CA -0.326 57.115 57.345 0.161 0.000 1.200 510 W CB 1.104 30.697 29.460 0.222 0.000 1.170 510 W HN 0.320 nan 8.180 nan 0.000 0.549 511 L N 2.893 124.281 121.223 0.275 0.000 2.466 511 L HA 0.465 4.805 4.340 0.000 0.000 0.258 511 L C -0.935 176.073 176.870 0.231 0.000 0.973 511 L CA -1.159 53.807 54.840 0.212 0.000 0.826 511 L CB 1.700 43.812 42.059 0.088 0.000 1.372 511 L HN 0.162 nan 8.230 nan 0.000 0.409 512 F N 1.852 122.020 119.950 0.362 0.000 2.394 512 F HA 0.479 5.006 4.527 0.000 0.000 0.340 512 F C -0.192 175.977 175.800 0.616 0.000 1.105 512 F CA 0.032 58.294 58.000 0.437 0.000 1.124 512 F CB 1.310 40.450 39.000 0.233 0.000 1.145 512 F HN 0.148 nan 8.300 nan 0.000 0.505 513 F N 4.137 124.412 119.950 0.541 0.000 2.551 513 F HA 0.585 5.112 4.527 0.000 0.000 0.316 513 F C -1.111 174.645 175.800 -0.072 0.000 1.089 513 F CA -1.283 56.785 58.000 0.114 0.000 0.915 513 F CB 1.585 40.665 39.000 0.133 0.000 1.186 513 F HN 0.397 nan 8.300 nan 0.000 0.456 514 K N 7.998 127.705 120.400 -1.154 0.000 2.729 514 K HA 0.341 4.661 4.320 0.000 0.000 0.269 514 K C -3.088 172.835 176.600 -1.128 0.000 1.065 514 K CA -1.765 53.809 56.287 -1.189 0.000 1.000 514 K CB 1.690 33.315 32.500 -1.458 0.000 1.283 514 K HN 0.310 nan 8.250 nan 0.000 0.491 515 P HA -0.035 nan 4.420 nan 0.000 0.267 515 P C -0.403 176.602 177.300 -0.492 0.000 1.200 515 P CA -0.301 62.437 63.100 -0.604 0.000 0.772 515 P CB 1.297 32.762 31.700 -0.391 0.000 0.855 516 L N 3.709 124.677 121.223 -0.424 0.000 2.641 516 L HA 0.280 4.620 4.340 0.000 0.000 0.207 516 L C 0.087 176.805 176.870 -0.253 0.000 1.049 516 L CA 1.092 55.746 54.840 -0.309 0.000 0.866 516 L CB 0.497 42.417 42.059 -0.232 0.000 1.264 516 L HN 0.115 nan 8.230 nan 0.000 0.483 517 V N -0.565 119.178 119.914 -0.285 0.000 2.789 517 V HA 0.597 4.717 4.120 0.000 0.000 0.311 517 V C -0.547 175.394 176.094 -0.254 0.000 1.073 517 V CA -0.421 61.750 62.300 -0.215 0.000 0.921 517 V CB 1.753 33.488 31.823 -0.147 0.000 1.009 517 V HN 0.191 nan 8.190 nan 0.000 0.426 518 T N 3.355 117.805 114.554 -0.174 0.000 2.906 518 T HA 0.651 5.001 4.350 0.000 0.000 0.295 518 T C -1.604 173.044 174.700 -0.088 0.000 1.061 518 T CA -0.461 61.553 62.100 -0.143 0.000 1.000 518 T CB 1.453 70.251 68.868 -0.118 0.000 1.103 518 T HN 0.506 nan 8.240 nan 0.000 0.486 519 L N 4.820 126.006 121.223 -0.062 0.000 2.255 519 L HA 0.496 4.836 4.340 0.000 0.000 0.289 519 L C 0.243 177.097 176.870 -0.025 0.000 1.046 519 L CA -0.017 54.800 54.840 -0.038 0.000 0.816 519 L CB 0.686 42.730 42.059 -0.026 0.000 1.197 519 L HN 0.628 nan 8.230 nan 0.000 0.427 520 Q N 3.012 122.797 119.800 -0.026 0.000 2.204 520 Q HA 0.320 4.660 4.340 0.000 0.000 0.175 520 Q C -0.252 175.740 176.000 -0.012 0.000 1.020 520 Q CA -0.853 54.938 55.803 -0.019 0.000 1.078 520 Q CB 0.424 29.147 28.738 -0.024 0.000 1.228 520 Q HN 0.361 nan 8.270 nan 0.000 0.550 521 K N 1.964 122.358 120.400 -0.010 0.000 2.543 521 K HA -0.144 4.176 4.320 0.000 0.000 0.279 521 K C 0.150 176.746 176.600 -0.007 0.000 1.001 521 K CA 0.583 56.866 56.287 -0.006 0.000 1.088 521 K CB -0.070 32.426 32.500 -0.007 0.000 0.863 521 K HN 0.603 nan 8.250 nan 0.000 0.488 522 E N 2.413 122.611 120.200 -0.004 0.000 2.513 522 E HA -0.259 4.091 4.350 0.000 0.000 0.257 522 E C -1.102 175.495 176.600 -0.005 0.000 1.098 522 E CA 0.995 57.392 56.400 -0.004 0.000 0.752 522 E CB -1.357 28.340 29.700 -0.005 0.000 1.324 522 E HN 0.702 nan 8.360 nan 0.000 0.403 523 R N -0.868 119.629 120.500 -0.005 0.000 3.205 523 R HA -0.236 4.105 4.340 0.000 0.000 0.249 523 R C -0.780 175.515 176.300 -0.009 0.000 0.937 523 R CA 1.421 57.517 56.100 -0.006 0.000 0.641 523 R CB -1.745 28.553 30.300 -0.003 0.000 1.114 523 R HN 0.310 nan 8.270 nan 0.000 0.451 524 K N 1.423 121.816 120.400 -0.012 0.000 2.483 524 K HA 0.372 4.692 4.320 0.000 0.000 0.256 524 K C 0.117 176.703 176.600 -0.023 0.000 0.961 524 K CA -0.717 55.561 56.287 -0.015 0.000 0.873 524 K CB 1.554 34.045 32.500 -0.015 0.000 1.107 524 K HN 0.070 nan 8.250 nan 0.000 0.432 525 L N 2.851 124.060 121.223 -0.023 0.000 2.490 525 L HA 0.125 4.465 4.340 0.000 0.000 0.274 525 L C 0.351 177.197 176.870 -0.040 0.000 1.201 525 L CA 0.400 55.220 54.840 -0.034 0.000 0.869 525 L CB 0.200 42.242 42.059 -0.028 0.000 1.123 525 L HN 0.502 nan 8.230 nan 0.000 0.484 526 E N 2.498 122.665 120.200 -0.055 0.000 2.314 526 E HA 0.345 4.695 4.350 0.000 0.000 0.272 526 E C -1.208 175.345 176.600 -0.078 0.000 0.884 526 E CA -0.979 55.386 56.400 -0.059 0.000 0.753 526 E CB 2.590 32.258 29.700 -0.053 0.000 1.213 526 E HN 0.218 nan 8.360 nan 0.000 0.432 527 L N 2.758 123.936 121.223 -0.074 0.000 2.410 527 L HA 0.131 4.471 4.340 0.000 0.000 0.273 527 L C -0.354 176.455 176.870 -0.101 0.000 1.144 527 L CA -0.045 54.741 54.840 -0.090 0.000 0.863 527 L CB 0.715 42.730 42.059 -0.074 0.000 1.140 527 L HN 0.286 nan 8.230 nan 0.000 0.463 528 V N 5.340 125.174 119.914 -0.133 0.000 2.740 528 V HA 0.164 4.284 4.120 0.000 0.000 0.303 528 V C 0.957 176.977 176.094 -0.125 0.000 1.054 528 V CA -0.354 61.862 62.300 -0.139 0.000 1.106 528 V CB 0.755 32.465 31.823 -0.190 0.000 0.957 528 V HN 1.013 nan 8.190 nan 0.000 0.486 529 A N 6.250 129.008 122.820 -0.104 0.000 2.519 529 A HA -0.035 4.285 4.320 0.000 0.000 0.275 529 A C 0.986 178.509 177.584 -0.102 0.000 1.082 529 A CA 0.151 52.135 52.037 -0.088 0.000 0.841 529 A CB -0.835 18.122 19.000 -0.072 0.000 0.984 529 A HN 0.844 nan 8.150 nan 0.000 0.531 530 R N 1.374 121.817 120.500 -0.095 0.000 4.797 530 R HA -0.150 4.190 4.340 0.000 0.000 0.146 530 R C 0.997 177.235 176.300 -0.103 0.000 0.258 530 R CA 0.546 56.586 56.100 -0.100 0.000 0.909 530 R CB -0.469 29.788 30.300 -0.071 0.000 0.954 530 R HN 0.815 nan 8.270 nan 0.000 0.273 531 R N 2.323 122.736 120.500 -0.145 0.000 2.603 531 R HA 0.368 4.708 4.340 0.000 0.000 0.231 531 R C 0.048 176.254 176.300 -0.157 0.000 1.263 531 R CA -0.486 55.529 56.100 -0.142 0.000 1.102 531 R CB 0.255 30.449 30.300 -0.176 0.000 1.527 531 R HN 0.161 nan 8.270 nan 0.000 0.554 532 K N -0.733 119.593 120.400 -0.123 0.000 2.280 532 K HA 0.323 4.643 4.320 0.000 0.000 0.234 532 K C -0.965 175.586 176.600 -0.083 0.000 1.028 532 K CA -0.599 55.648 56.287 -0.067 0.000 0.882 532 K CB 0.434 32.953 32.500 0.031 0.000 1.194 532 K HN 0.531 nan 8.250 nan 0.000 0.458 533 W N 1.711 122.996 121.300 -0.025 0.000 2.272 533 W HA 0.334 4.994 4.660 0.000 0.000 0.318 533 W C 0.296 176.927 176.519 0.187 0.000 1.255 533 W CA -0.020 57.353 57.345 0.048 0.000 1.200 533 W CB 0.903 30.344 29.460 -0.033 0.000 1.170 533 W HN 0.532 nan 8.180 nan 0.000 0.549 534 K N 2.113 122.803 120.400 0.483 0.000 2.427 534 K HA 0.450 4.770 4.320 0.000 0.000 0.252 534 K C -0.987 175.700 176.600 0.146 0.000 0.931 534 K CA -1.086 55.364 56.287 0.272 0.000 0.793 534 K CB 2.048 34.557 32.500 0.015 0.000 1.211 534 K HN 0.515 nan 8.250 nan 0.000 0.426 535 Q N 2.409 122.125 119.800 -0.140 0.000 2.288 535 Q HA 0.242 4.583 4.340 0.000 0.000 0.254 535 Q C -1.521 174.396 176.000 -0.139 0.000 0.932 535 Q CA -0.298 55.291 55.803 -0.357 0.000 0.902 535 Q CB 0.596 28.959 28.738 -0.626 0.000 1.203 535 Q HN 0.667 nan 8.270 nan 0.000 0.415 536 Y N 1.059 121.552 120.300 0.322 0.000 2.615 536 Y HA 0.316 4.866 4.550 0.000 0.000 0.341 536 Y C -1.160 174.970 175.900 0.383 0.000 1.089 536 Y CA -0.964 57.392 58.100 0.426 0.000 1.049 536 Y CB 1.219 39.928 38.460 0.414 0.000 1.296 536 Y HN 0.657 nan 8.280 nan 0.000 0.470 537 W N 4.299 125.707 121.300 0.179 0.000 2.316 537 W HA 0.678 5.338 4.660 0.000 0.000 0.308 537 W C -1.881 174.604 176.519 -0.056 0.000 1.106 537 W CA -0.753 56.355 57.345 -0.394 0.000 1.262 537 W CB 1.017 30.096 29.460 -0.636 0.000 1.233 537 W HN 0.291 nan 8.180 nan 0.000 0.447 538 V N 5.618 125.119 119.914 -0.688 0.000 2.581 538 V HA 0.459 4.579 4.120 0.000 0.000 0.303 538 V C 0.357 176.135 176.094 -0.525 0.000 1.041 538 V CA -0.546 61.397 62.300 -0.595 0.000 0.907 538 V CB 1.744 33.152 31.823 -0.691 0.000 0.994 538 V HN 0.548 nan 8.190 nan 0.000 0.442 539 T N 2.070 116.445 114.554 -0.297 0.000 2.893 539 T HA 0.749 5.099 4.350 0.000 0.000 0.291 539 T C -1.098 173.547 174.700 -0.093 0.000 1.028 539 T CA -0.698 61.310 62.100 -0.153 0.000 0.995 539 T CB 1.800 70.648 68.868 -0.034 0.000 1.051 539 T HN 0.487 nan 8.240 nan 0.000 0.470 540 L N 2.061 123.247 121.223 -0.061 0.000 2.316 540 L HA 0.742 5.082 4.340 0.000 0.000 0.280 540 L C -0.480 176.357 176.870 -0.054 0.000 1.006 540 L CA -0.475 54.339 54.840 -0.043 0.000 0.836 540 L CB 1.033 43.081 42.059 -0.019 0.000 1.221 540 L HN 0.926 nan 8.230 nan 0.000 0.418 541 K N 4.595 124.978 120.400 -0.027 0.000 2.507 541 K HA 0.730 5.050 4.320 0.000 0.000 0.252 541 K C 0.435 177.040 176.600 0.008 0.000 0.943 541 K CA 0.125 56.404 56.287 -0.013 0.000 0.808 541 K CB 1.225 33.727 32.500 0.003 0.000 1.142 541 K HN 0.880 nan 8.250 nan 0.000 0.426 542 G N 2.352 111.153 108.800 0.001 0.000 2.583 542 G HA2 -0.338 3.623 3.960 0.000 0.000 0.292 542 G HA3 -0.338 3.623 3.960 0.000 0.000 0.292 542 G C 0.308 175.223 174.900 0.025 0.000 1.203 542 G CA 0.162 45.272 45.100 0.016 0.000 0.987 542 G HN 0.689 nan 8.290 nan 0.000 0.554 543 C N 1.528 120.864 119.300 0.060 0.000 2.760 543 C HA 0.640 5.100 4.460 0.000 0.000 0.293 543 C C 0.893 175.958 174.990 0.125 0.000 1.383 543 C CA 0.539 59.606 59.018 0.081 0.000 1.771 543 C CB -1.334 26.466 27.740 0.101 0.000 2.353 543 C HN 0.691 nan 8.230 nan 0.000 0.578 544 T N 1.684 116.301 114.554 0.105 0.000 2.797 544 T HA 0.498 4.848 4.350 0.000 0.000 0.279 544 T C -0.415 174.264 174.700 -0.036 0.000 0.991 544 T CA -0.051 62.106 62.100 0.095 0.000 0.979 544 T CB 1.174 70.144 68.868 0.170 0.000 0.943 544 T HN 0.133 nan 8.240 nan 0.000 0.444 545 L N 4.058 125.206 121.223 -0.125 0.000 2.275 545 L HA 0.529 4.869 4.340 0.000 0.000 0.288 545 L C -0.463 176.171 176.870 -0.394 0.000 1.046 545 L CA -0.708 53.955 54.840 -0.294 0.000 0.805 545 L CB 0.849 42.680 42.059 -0.380 0.000 1.193 545 L HN 0.374 nan 8.230 nan 0.000 0.426 546 L N 4.011 124.975 121.223 -0.432 0.000 2.313 546 L HA 0.481 4.821 4.340 0.000 0.000 0.283 546 L C -0.914 175.602 176.870 -0.590 0.000 1.013 546 L CA -0.365 54.239 54.840 -0.393 0.000 0.816 546 L CB 1.403 43.354 42.059 -0.181 0.000 1.236 546 L HN 0.397 nan 8.230 nan 0.000 0.419 547 F N 2.440 122.071 119.950 -0.532 0.000 2.404 547 F HA 0.437 4.964 4.527 0.000 0.000 0.354 547 F C -0.384 175.168 175.800 -0.414 0.000 1.122 547 F CA -0.543 57.151 58.000 -0.511 0.000 1.080 547 F CB 0.917 39.320 39.000 -0.995 0.000 1.131 547 F HN 0.230 nan 8.300 nan 0.000 0.471 548 Y N 1.161 121.599 120.300 0.231 0.000 2.364 548 Y HA 0.250 4.800 4.550 0.000 0.000 0.340 548 Y C 1.152 177.335 175.900 0.472 0.000 0.975 548 Y CA -0.972 57.305 58.100 0.295 0.000 1.089 548 Y CB 1.505 40.108 38.460 0.238 0.000 1.192 548 Y HN 0.515 nan 8.280 nan 0.000 0.454 549 E N 0.874 121.390 120.200 0.527 0.000 2.219 549 E HA -0.126 4.224 4.350 0.000 0.000 0.198 549 E C 0.374 177.235 176.600 0.435 0.000 0.998 549 E CA 1.328 57.986 56.400 0.430 0.000 0.818 549 E CB 0.190 30.060 29.700 0.283 0.000 0.741 549 E HN 0.639 nan 8.360 nan 0.000 0.477 550 T N -2.651 112.181 114.554 0.463 0.000 2.739 550 T HA 0.216 4.566 4.350 0.000 0.000 0.303 550 T C -1.107 173.781 174.700 0.313 0.000 1.389 550 T CA -0.849 61.555 62.100 0.506 0.000 1.001 550 T CB -0.233 68.841 68.868 0.343 0.000 1.436 550 T HN -0.013 nan 8.240 nan 0.000 0.500 561 A N 2.410 125.348 122.820 0.197 0.000 2.295 561 A HA 0.774 5.094 4.320 0.000 0.000 0.318 561 A C -2.985 174.631 177.584 0.053 0.000 1.134 561 A CA -1.716 50.413 52.037 0.154 0.000 0.827 561 A CB -0.068 18.976 19.000 0.073 0.000 1.136 561 A HN 0.059 nan 8.150 nan 0.000 0.493 562 P HA 0.150 nan 4.420 nan 0.000 0.267 562 P C 0.267 177.427 177.300 -0.234 0.000 1.209 562 P CA -0.244 62.503 63.100 -0.588 0.000 0.763 562 P CB 0.559 31.903 31.700 -0.594 0.000 0.816 563 R N 1.915 122.321 120.500 -0.155 0.000 2.148 563 R HA 0.019 4.359 4.340 0.000 0.000 0.227 563 R C 0.813 177.049 176.300 -0.107 0.000 1.103 563 R CA 0.543 56.621 56.100 -0.037 0.000 0.983 563 R CB -1.499 28.872 30.300 0.117 0.000 0.874 563 R HN 0.704 nan 8.270 nan 0.000 0.451 564 C N -4.462 114.722 119.300 -0.193 0.000 3.275 564 C HA 0.841 5.301 4.460 0.000 0.000 0.345 564 C C -0.769 174.113 174.990 -0.180 0.000 1.257 564 C CA -1.350 57.538 59.018 -0.215 0.000 1.203 564 C CB 1.300 28.863 27.740 -0.294 0.000 1.492 564 C HN 0.362 nan 8.230 nan 0.000 0.484 565 A N 0.875 123.558 122.820 -0.228 0.000 2.386 565 A HA 0.976 5.297 4.320 0.000 0.000 0.308 565 A C -1.373 175.980 177.584 -0.386 0.000 1.128 565 A CA -0.572 51.306 52.037 -0.266 0.000 0.789 565 A CB 1.620 20.399 19.000 -0.369 0.000 1.325 565 A HN 2.298 nan 8.150 nan 0.000 0.437 566 L N 0.610 121.607 121.223 -0.376 0.000 2.482 566 L HA 0.699 5.039 4.340 0.000 0.000 0.269 566 L C -2.007 174.684 176.870 -0.299 0.000 0.967 566 L CA -0.652 53.973 54.840 -0.359 0.000 0.851 566 L CB 0.885 42.830 42.059 -0.189 0.000 1.242 566 L HN 0.444 nan 8.230 nan 0.000 0.404 567 F N 4.827 124.801 119.950 0.039 0.000 2.434 567 F HA 0.526 5.054 4.527 0.000 0.000 0.358 567 F C 1.342 177.196 175.800 0.091 0.000 1.136 567 F CA -0.095 57.938 58.000 0.056 0.000 1.157 567 F CB 0.948 39.984 39.000 0.060 0.000 1.167 567 F HN 0.699 nan 8.300 nan 0.000 0.539 568 A N 2.328 125.292 122.820 0.240 0.000 2.370 568 A HA 0.050 4.370 4.320 0.000 0.000 0.238 568 A C 0.879 178.601 177.584 0.230 0.000 1.289 568 A CA -0.312 51.856 52.037 0.218 0.000 0.885 568 A CB -0.823 18.272 19.000 0.159 0.000 0.961 568 A HN 0.712 nan 8.150 nan 0.000 0.499 569 E N 1.248 121.586 120.200 0.231 0.000 2.529 569 E HA -0.038 4.312 4.350 0.000 0.000 0.259 569 E C -0.562 176.195 176.600 0.262 0.000 0.966 569 E CA 0.207 56.735 56.400 0.213 0.000 0.937 569 E CB 0.095 29.900 29.700 0.175 0.000 0.923 569 E HN 0.379 nan 8.360 nan 0.000 0.468 570 D N 2.281 122.865 120.400 0.306 0.000 2.772 570 D HA -0.157 4.483 4.640 0.000 0.000 0.233 570 D C -0.818 175.735 176.300 0.421 0.000 1.143 570 D CA 1.003 55.233 54.000 0.384 0.000 0.700 570 D CB -1.243 39.755 40.800 0.331 0.000 1.076 570 D HN 0.226 nan 8.370 nan 0.000 0.430 571 S N -0.631 115.329 115.700 0.434 0.000 2.681 571 S HA 0.688 5.158 4.470 0.000 0.000 0.270 571 S C 0.782 175.686 174.600 0.508 0.000 1.209 571 S CA -0.463 58.022 58.200 0.475 0.000 0.988 571 S CB 1.715 65.151 63.200 0.393 0.000 1.006 571 S HN 0.182 nan 8.310 nan 0.000 0.558 572 I N 1.342 122.203 120.570 0.485 0.000 2.533 572 I HA 0.412 4.582 4.170 0.000 0.000 0.290 572 I C -1.296 175.133 176.117 0.519 0.000 1.056 572 I CA -0.708 60.867 61.300 0.459 0.000 1.057 572 I CB 2.016 40.138 38.000 0.204 0.000 1.240 572 I HN 0.229 nan 8.210 nan 0.000 0.423 573 V N 5.514 125.798 119.914 0.616 0.000 2.495 573 V HA 0.516 4.636 4.120 0.000 0.000 0.298 573 V C -0.545 175.766 176.094 0.361 0.000 1.031 573 V CA -0.665 61.843 62.300 0.347 0.000 0.871 573 V CB 1.782 33.594 31.823 -0.018 0.000 0.988 573 V HN 0.600 nan 8.190 nan 0.000 0.432 574 Q N 2.055 122.078 119.800 0.372 0.000 2.323 574 Q HA 0.446 4.786 4.340 0.000 0.000 0.271 574 Q C -0.286 175.920 176.000 0.344 0.000 1.048 574 Q CA -0.418 55.589 55.803 0.340 0.000 0.792 574 Q CB 2.467 31.404 28.738 0.330 0.000 1.280 574 Q HN 0.947 nan 8.270 nan 0.000 0.441 575 S N -0.086 115.787 115.700 0.288 0.000 2.585 575 S HA 0.432 4.902 4.470 0.000 0.000 0.273 575 S C 0.317 175.080 174.600 0.272 0.000 1.339 575 S CA -0.481 57.898 58.200 0.299 0.000 1.028 575 S CB 0.713 64.048 63.200 0.225 0.000 0.906 575 S HN 0.339 nan 8.310 nan 0.000 0.528 576 V N 3.351 123.430 119.914 0.275 0.000 2.405 576 V HA 0.278 4.398 4.120 0.000 0.000 0.253 576 V C -1.564 174.659 176.094 0.215 0.000 0.963 576 V CA -1.196 61.249 62.300 0.241 0.000 1.003 576 V CB 0.614 32.603 31.823 0.278 0.000 1.251 576 V HN 0.813 nan 8.190 nan 0.000 0.520 577 P HA -0.149 nan 4.420 nan 0.000 0.222 577 P C 1.064 178.434 177.300 0.116 0.000 1.147 577 P CA 1.113 64.292 63.100 0.131 0.000 0.790 577 P CB 0.440 32.208 31.700 0.113 0.000 0.780 578 E N -0.624 119.648 120.200 0.121 0.000 2.494 578 E HA -0.123 4.227 4.350 0.000 0.000 0.193 578 E C 0.419 177.075 176.600 0.094 0.000 1.074 578 E CA -0.127 56.325 56.400 0.087 0.000 0.867 578 E CB -1.224 28.515 29.700 0.066 0.000 0.924 578 E HN 0.370 nan 8.360 nan 0.000 0.502 579 H N 3.680 122.784 119.070 0.058 0.000 3.026 579 H HA 0.043 4.599 4.556 0.000 0.000 0.289 579 H C -1.239 174.105 175.328 0.027 0.000 1.022 579 H CA -1.182 54.902 56.048 0.061 0.000 1.477 579 H CB 1.299 31.115 29.762 0.090 0.000 1.510 579 H HN -0.011 nan 8.280 nan 0.000 0.535 580 P HA -0.236 nan 4.420 nan 0.000 0.215 580 P C 0.768 178.094 177.300 0.043 0.000 1.163 580 P CA 1.902 64.978 63.100 -0.040 0.000 0.894 580 P CB 0.432 32.068 31.700 -0.106 0.000 0.791 581 K N -0.746 119.735 120.400 0.134 0.000 2.141 581 K HA 0.152 4.472 4.320 0.000 0.000 0.202 581 K C 1.148 177.785 176.600 0.061 0.000 1.045 581 K CA 0.436 56.787 56.287 0.107 0.000 0.971 581 K CB -0.019 32.543 32.500 0.104 0.000 0.795 581 K HN 0.066 nan 8.250 nan 0.000 0.459 582 K N 1.495 121.966 120.400 0.119 0.000 2.118 582 K HA 0.249 4.569 4.320 0.000 0.000 0.254 582 K C -0.596 175.914 176.600 -0.150 0.000 0.961 582 K CA -0.451 55.728 56.287 -0.180 0.000 0.876 582 K CB 1.800 33.975 32.500 -0.541 0.000 1.077 582 K HN 0.102 nan 8.250 nan 0.000 0.440 583 E N 0.335 120.388 120.200 -0.245 0.000 2.232 583 E HA 0.221 4.571 4.350 0.000 0.000 0.264 583 E C -0.776 175.630 176.600 -0.325 0.000 0.973 583 E CA -0.764 55.417 56.400 -0.365 0.000 0.849 583 E CB 1.093 30.397 29.700 -0.659 0.000 1.198 583 E HN 0.621 nan 8.360 nan 0.000 0.407 584 H N -2.272 116.844 119.070 0.077 0.000 2.899 584 H HA -0.164 4.392 4.556 0.000 0.000 0.282 584 H C -0.094 175.352 175.328 0.197 0.000 1.198 584 H CA 0.215 56.349 56.048 0.143 0.000 1.140 584 H CB -2.000 27.846 29.762 0.139 0.000 1.317 584 H HN 0.220 nan 8.280 nan 0.000 0.375 585 V N -0.788 119.245 119.914 0.200 0.000 2.567 585 V HA 0.658 4.778 4.120 0.000 0.000 0.289 585 V C 0.285 176.603 176.094 0.374 0.000 1.049 585 V CA -0.487 61.929 62.300 0.194 0.000 0.969 585 V CB 0.778 32.614 31.823 0.023 0.000 0.995 585 V HN 0.312 nan 8.190 nan 0.000 0.471 586 F N 3.008 123.137 119.950 0.298 0.000 2.620 586 F HA 0.869 5.396 4.527 0.000 0.000 0.320 586 F C -0.414 175.612 175.800 0.376 0.000 1.069 586 F CA -1.275 56.896 58.000 0.285 0.000 0.953 586 F CB 1.125 40.254 39.000 0.214 0.000 1.322 586 F HN 0.750 nan 8.300 nan 0.000 0.479 587 C N 3.742 123.359 119.300 0.528 0.000 2.396 587 C HA 0.779 5.240 4.460 0.000 0.000 0.321 587 C C -0.907 174.391 174.990 0.513 0.000 1.233 587 C CA -0.826 58.455 59.018 0.438 0.000 1.440 587 C CB 0.412 28.341 27.740 0.316 0.000 2.110 587 C HN 1.006 nan 8.230 nan 0.000 0.473 588 L N 6.480 128.052 121.223 0.582 0.000 2.307 588 L HA 0.745 5.085 4.340 0.000 0.000 0.284 588 L C -0.074 177.105 176.870 0.514 0.000 1.023 588 L CA 0.270 55.452 54.840 0.570 0.000 0.810 588 L CB 1.672 44.125 42.059 0.657 0.000 1.231 588 L HN 0.881 nan 8.230 nan 0.000 0.423 589 S N 2.228 118.203 115.700 0.459 0.000 2.561 589 S HA 0.572 5.043 4.470 0.000 0.000 0.303 589 S C -0.679 174.144 174.600 0.372 0.000 1.110 589 S CA -0.978 57.440 58.200 0.364 0.000 1.034 589 S CB 1.380 64.793 63.200 0.354 0.000 1.010 589 S HN 0.763 nan 8.310 nan 0.000 0.482 590 N N 1.234 120.087 118.700 0.255 0.000 2.566 590 N HA 0.391 5.131 4.740 0.000 0.000 0.299 590 N C 0.892 176.428 175.510 0.043 0.000 1.277 590 N CA -0.445 52.752 53.050 0.244 0.000 0.965 590 N CB -0.022 38.643 38.487 0.297 0.000 1.142 590 N HN 0.565 nan 8.380 nan 0.000 0.596 591 S N -2.187 113.592 115.700 0.131 0.000 2.561 591 S HA -0.015 4.455 4.470 0.000 0.000 0.225 591 S C 1.120 175.740 174.600 0.034 0.000 0.977 591 S CA -0.082 58.164 58.200 0.077 0.000 0.926 591 S CB -1.036 62.260 63.200 0.160 0.000 0.769 591 S HN 0.602 nan 8.310 nan 0.000 0.533 592 C N 0.737 120.070 119.300 0.055 0.000 2.512 592 C HA 0.566 5.026 4.460 0.000 0.000 0.276 592 C C 2.102 177.090 174.990 -0.003 0.000 1.368 592 C CA 0.162 59.209 59.018 0.049 0.000 1.755 592 C CB -0.944 26.856 27.740 0.099 0.000 2.008 592 C HN 0.828 nan 8.230 nan 0.000 0.511 593 G N 0.724 109.494 108.800 -0.049 0.000 2.148 593 G HA2 -0.109 3.851 3.960 0.000 0.000 0.157 593 G HA3 -0.109 3.851 3.960 0.000 0.000 0.157 593 G C -0.720 174.129 174.900 -0.085 0.000 1.012 593 G CA -0.172 44.877 45.100 -0.086 0.000 0.677 593 G HN 0.457 nan 8.290 nan 0.000 0.506 594 D N 0.008 120.366 120.400 -0.070 0.000 2.181 594 D HA 0.628 5.268 4.640 0.000 0.000 0.248 594 D C -0.007 176.142 176.300 -0.253 0.000 1.020 594 D CA -0.215 53.669 54.000 -0.193 0.000 0.891 594 D CB 2.495 43.191 40.800 -0.173 0.000 1.187 594 D HN 0.126 nan 8.370 nan 0.000 0.443 595 V N 1.976 121.618 119.914 -0.454 0.000 2.588 595 V HA 0.388 4.508 4.120 0.000 0.000 0.304 595 V C -1.113 174.680 176.094 -0.503 0.000 1.042 595 V CA -0.771 61.362 62.300 -0.279 0.000 0.877 595 V CB 1.104 32.861 31.823 -0.110 0.000 0.996 595 V HN 0.423 nan 8.190 nan 0.000 0.425 596 Y N 3.715 124.049 120.300 0.057 0.000 2.536 596 Y HA 0.746 5.296 4.550 0.000 0.000 0.347 596 Y C -0.203 175.642 175.900 -0.091 0.000 1.000 596 Y CA -0.968 57.083 58.100 -0.082 0.000 1.051 596 Y CB 1.881 40.391 38.460 0.084 0.000 1.259 596 Y HN 0.387 nan 8.280 nan 0.000 0.468 597 L N 2.444 123.547 121.223 -0.200 0.000 2.334 597 L HA 0.633 4.973 4.340 0.000 0.000 0.273 597 L C -1.255 175.458 176.870 -0.262 0.000 1.013 597 L CA -0.594 54.162 54.840 -0.139 0.000 0.816 597 L CB 1.443 43.352 42.059 -0.251 0.000 1.278 597 L HN 0.540 nan 8.230 nan 0.000 0.431 598 F N 0.304 120.210 119.950 -0.074 0.000 2.629 598 F HA 0.489 5.016 4.527 0.000 0.000 0.316 598 F C -0.279 175.443 175.800 -0.131 0.000 1.081 598 F CA -0.640 57.245 58.000 -0.191 0.000 0.954 598 F CB 2.126 40.406 39.000 -1.200 0.000 1.337 598 F HN 0.305 nan 8.300 nan 0.000 0.474 599 Q N 1.730 121.669 119.800 0.233 0.000 2.275 599 Q HA 0.749 5.089 4.340 0.000 0.000 0.266 599 Q C -1.350 174.824 176.000 0.289 0.000 1.002 599 Q CA -0.671 55.215 55.803 0.140 0.000 0.761 599 Q CB 1.977 30.626 28.738 -0.147 0.000 1.255 599 Q HN 0.868 nan 8.270 nan 0.000 0.446 600 A N 1.735 124.787 122.820 0.388 0.000 2.249 600 A HA 0.388 4.708 4.320 0.000 0.000 0.281 600 A C 0.960 178.712 177.584 0.279 0.000 1.127 600 A CA 0.292 52.559 52.037 0.383 0.000 0.833 600 A CB 0.414 19.672 19.000 0.429 0.000 1.140 600 A HN 0.897 nan 8.150 nan 0.000 0.502 601 T N -2.601 112.073 114.554 0.200 0.000 3.065 601 T HA 0.357 4.707 4.350 0.000 0.000 0.252 601 T C 0.498 175.128 174.700 -0.116 0.000 1.099 601 T CA 0.860 63.034 62.100 0.124 0.000 1.063 601 T CB -0.673 68.288 68.868 0.155 0.000 0.948 601 T HN 1.755 nan 8.240 nan 0.000 0.506 602 S N -0.673 114.807 115.700 -0.366 0.000 2.636 602 S HA 0.394 4.864 4.470 0.000 0.000 0.266 602 S C 0.341 174.583 174.600 -0.597 0.000 1.147 602 S CA -0.529 57.179 58.200 -0.820 0.000 0.815 602 S CB 1.512 64.545 63.200 -0.278 0.000 1.119 602 S HN -0.012 nan 8.310 nan 0.000 0.470 603 Q N 0.893 120.485 119.800 -0.348 0.000 2.119 603 Q HA 0.052 4.393 4.340 0.000 0.000 0.201 603 Q C 1.735 177.741 176.000 0.011 0.000 0.972 603 Q CA 2.752 58.579 55.803 0.039 0.000 0.847 603 Q CB -1.139 27.683 28.738 0.141 0.000 0.903 603 Q HN 0.835 nan 8.270 nan 0.000 0.433 604 T N 0.515 115.052 114.554 -0.028 0.000 2.777 604 T HA -0.128 4.222 4.350 0.000 0.000 0.266 604 T C 1.214 175.901 174.700 -0.021 0.000 1.040 604 T CA 1.374 63.462 62.100 -0.020 0.000 1.141 604 T CB -0.473 68.380 68.868 -0.025 0.000 0.868 604 T HN 0.451 nan 8.240 nan 0.000 0.444 605 D N 0.952 121.349 120.400 -0.006 0.000 2.097 605 D HA -0.070 4.570 4.640 0.000 0.000 0.195 605 D C 2.051 178.433 176.300 0.137 0.000 0.989 605 D CA 0.723 54.763 54.000 0.067 0.000 0.827 605 D CB -0.371 40.511 40.800 0.137 0.000 0.966 605 D HN 0.293 nan 8.370 nan 0.000 0.456 606 L N 0.360 121.655 121.223 0.121 0.000 2.042 606 L HA -0.206 4.134 4.340 0.000 0.000 0.210 606 L C 2.012 178.824 176.870 -0.095 0.000 1.076 606 L CA 1.716 56.594 54.840 0.062 0.000 0.749 606 L CB -0.295 41.870 42.059 0.176 0.000 0.893 606 L HN 0.079 nan 8.230 nan 0.000 0.432 607 E N -0.206 119.969 120.200 -0.042 0.000 2.110 607 E HA -0.195 4.155 4.350 0.000 0.000 0.193 607 E C 1.858 178.387 176.600 -0.119 0.000 0.988 607 E CA 1.245 57.602 56.400 -0.070 0.000 0.804 607 E CB -0.155 29.527 29.700 -0.030 0.000 0.745 607 E HN 0.577 nan 8.360 nan 0.000 0.458 608 N N 0.028 118.648 118.700 -0.134 0.000 2.188 608 N HA -0.143 4.597 4.740 0.000 0.000 0.184 608 N C 1.332 176.652 175.510 -0.316 0.000 1.018 608 N CA 0.896 53.810 53.050 -0.226 0.000 0.858 608 N CB -0.295 38.027 38.487 -0.276 0.000 0.989 608 N HN 0.294 nan 8.380 nan 0.000 0.426 609 W N 0.974 122.080 121.300 -0.322 0.000 2.381 609 W HA -0.034 4.626 4.660 0.000 0.000 0.301 609 W C 2.253 178.461 176.519 -0.519 0.000 1.205 609 W CA 0.347 57.429 57.345 -0.438 0.000 1.285 609 W CB -0.415 28.686 29.460 -0.598 0.000 1.133 609 W HN -0.198 nan 8.180 nan 0.000 0.521 610 V N -0.097 119.612 119.914 -0.342 0.000 2.295 610 V HA -0.328 3.792 4.120 0.000 0.000 0.246 610 V C 2.099 177.992 176.094 -0.335 0.000 1.049 610 V CA 2.414 64.464 62.300 -0.416 0.000 1.024 610 V CB -1.357 30.283 31.823 -0.305 0.000 0.648 610 V HN 0.161 nan 8.190 nan 0.000 0.447 611 T N 0.270 114.711 114.554 -0.187 0.000 2.746 611 T HA -0.172 4.178 4.350 0.000 0.000 0.267 611 T C 2.035 176.662 174.700 -0.123 0.000 1.039 611 T CA 1.655 63.693 62.100 -0.103 0.000 1.142 611 T CB -0.430 68.380 68.868 -0.097 0.000 0.866 611 T HN 0.574 nan 8.240 nan 0.000 0.444 612 A N 0.991 123.700 122.820 -0.185 0.000 1.877 612 A HA -0.017 4.303 4.320 0.000 0.000 0.216 612 A C 2.274 179.781 177.584 -0.128 0.000 1.186 612 A CA 1.264 53.187 52.037 -0.190 0.000 0.620 612 A CB -0.721 18.088 19.000 -0.318 0.000 0.822 612 A HN 0.525 nan 8.150 nan 0.000 0.443 613 I N -1.343 119.159 120.570 -0.114 0.000 2.202 613 I HA -0.244 3.926 4.170 0.000 0.000 0.242 613 I C 2.388 178.471 176.117 -0.056 0.000 1.091 613 I CA 1.511 62.770 61.300 -0.068 0.000 1.368 613 I CB -0.613 37.352 38.000 -0.058 0.000 1.058 613 I HN 0.450 nan 8.210 nan 0.000 0.410 614 H N -0.115 118.896 119.070 -0.098 0.000 2.387 614 H HA -0.132 4.425 4.556 0.000 0.000 0.299 614 H C 2.510 177.602 175.328 -0.392 0.000 1.099 614 H CA 1.294 57.213 56.048 -0.215 0.000 1.315 614 H CB 0.116 29.871 29.762 -0.012 0.000 1.380 614 H HN 0.258 nan 8.280 nan 0.000 0.513 615 S N 0.410 116.052 115.700 -0.096 0.000 2.368 615 S HA -0.138 4.332 4.470 0.000 0.000 0.224 615 S C 2.472 176.985 174.600 -0.146 0.000 1.029 615 S CA 0.704 58.829 58.200 -0.125 0.000 0.988 615 S CB -0.222 62.927 63.200 -0.085 0.000 0.838 615 S HN 0.522 nan 8.310 nan 0.000 0.462 616 A N 0.769 123.516 122.820 -0.122 0.000 1.902 616 A HA -0.163 4.157 4.320 0.000 0.000 0.217 616 A C 2.413 179.934 177.584 -0.105 0.000 1.181 616 A CA 1.620 53.605 52.037 -0.086 0.000 0.623 616 A CB -1.336 17.632 19.000 -0.054 0.000 0.818 616 A HN 0.609 nan 8.150 nan 0.000 0.443 617 C N -1.121 118.059 119.300 -0.200 0.000 2.429 617 C HA 0.070 4.530 4.460 0.000 0.000 0.277 617 C C 3.333 178.134 174.990 -0.314 0.000 1.262 617 C CA 0.726 59.592 59.018 -0.253 0.000 1.733 617 C CB -1.358 26.144 27.740 -0.397 0.000 2.010 617 C HN 0.707 nan 8.230 nan 0.000 0.483 618 A N -0.118 122.369 122.820 -0.556 0.000 1.902 618 A HA -0.202 4.118 4.320 0.000 0.000 0.217 618 A C 2.320 179.925 177.584 0.034 0.000 1.181 618 A CA 2.272 54.176 52.037 -0.221 0.000 0.623 618 A CB -1.040 17.848 19.000 -0.187 0.000 0.818 618 A HN 0.531 nan 8.150 nan 0.000 0.443 619 S N -0.760 114.926 115.700 -0.023 0.000 2.353 619 S HA -0.172 4.298 4.470 0.000 0.000 0.222 619 S C 1.954 176.589 174.600 0.058 0.000 1.035 619 S CA 1.705 59.916 58.200 0.018 0.000 1.025 619 S CB -0.462 62.731 63.200 -0.012 0.000 0.902 619 S HN 0.475 nan 8.310 nan 0.000 0.440 620 L N 0.718 121.979 121.223 0.064 0.000 2.046 620 L HA 0.083 4.423 4.340 0.000 0.000 0.208 620 L C 2.009 178.969 176.870 0.150 0.000 1.077 620 L CA 1.949 56.842 54.840 0.089 0.000 0.747 620 L CB -1.175 40.938 42.059 0.090 0.000 0.896 620 L HN 0.486 nan 8.230 nan 0.000 0.432 621 F N 0.308 120.301 119.950 0.072 0.000 2.126 621 F HA -0.252 4.275 4.527 0.000 0.000 0.299 621 F C 2.279 178.158 175.800 0.133 0.000 1.096 621 F CA 1.753 59.833 58.000 0.132 0.000 1.255 621 F CB -0.603 38.489 39.000 0.155 0.000 0.997 621 F HN 0.156 nan 8.300 nan 0.000 0.479 622 A N 0.184 123.086 122.820 0.136 0.000 1.902 622 A HA -0.200 4.120 4.320 0.000 0.000 0.217 622 A C 2.246 179.836 177.584 0.011 0.000 1.181 622 A CA 1.843 53.903 52.037 0.038 0.000 0.623 622 A CB -0.681 18.371 19.000 0.086 0.000 0.818 622 A HN 0.464 nan 8.150 nan 0.000 0.443 623 K N -0.064 120.348 120.400 0.021 0.000 2.097 623 K HA -0.117 4.203 4.320 0.000 0.000 0.206 623 K C 1.847 178.436 176.600 -0.017 0.000 1.049 623 K CA 1.519 57.809 56.287 0.006 0.000 0.933 623 K CB -0.157 32.348 32.500 0.009 0.000 0.717 623 K HN 0.400 nan 8.250 nan 0.000 0.442 624 K N -0.045 120.338 120.400 -0.027 0.000 2.362 624 K HA -0.106 4.214 4.320 0.000 0.000 0.200 624 K C 1.113 177.609 176.600 -0.174 0.000 1.046 624 K CA 0.975 57.213 56.287 -0.081 0.000 0.952 624 K CB -0.027 32.432 32.500 -0.069 0.000 0.753 624 K HN 0.259 nan 8.250 nan 0.000 0.466 625 H N -0.911 118.021 119.070 -0.231 0.000 2.586 625 H HA 0.143 4.699 4.556 0.000 0.000 0.273 625 H C 0.865 176.125 175.328 -0.112 0.000 0.997 625 H CA 0.469 56.394 56.048 -0.206 0.000 1.177 625 H CB 0.849 30.436 29.762 -0.291 0.000 1.471 625 H HN 0.346 nan 8.280 nan 0.000 0.538 626 G N 1.046 109.843 108.800 -0.006 0.000 2.198 626 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 626 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 626 G C -0.104 174.803 174.900 0.012 0.000 1.025 626 G CA 0.083 45.179 45.100 -0.007 0.000 0.769 626 G HN 0.149 nan 8.290 nan 0.000 0.507 627 K N -0.149 120.267 120.400 0.026 0.000 2.164 627 K HA 0.430 4.750 4.320 0.000 0.000 0.258 627 K C 0.865 177.477 176.600 0.020 0.000 0.951 627 K CA -0.491 55.811 56.287 0.026 0.000 0.844 627 K CB 2.029 34.550 32.500 0.035 0.000 1.099 627 K HN 0.381 nan 8.250 nan 0.000 0.435 628 E N 0.956 121.165 120.200 0.016 0.000 2.251 628 E HA -0.083 4.267 4.350 0.000 0.000 0.194 628 E C -0.435 176.174 176.600 0.015 0.000 0.964 628 E CA 0.287 56.695 56.400 0.012 0.000 0.868 628 E CB 0.424 30.128 29.700 0.007 0.000 0.828 628 E HN 0.426 nan 8.360 nan 0.000 0.481 629 D N 1.025 121.436 120.400 0.017 0.000 2.483 629 D HA 0.048 4.688 4.640 0.000 0.000 0.220 629 D C 0.343 176.660 176.300 0.028 0.000 1.173 629 D CA 0.056 54.066 54.000 0.017 0.000 0.964 629 D CB 1.007 41.815 40.800 0.014 0.000 1.046 629 D HN 0.015 nan 8.370 nan 0.000 0.517 630 T N 1.676 116.250 114.554 0.033 0.000 2.665 630 T HA -0.141 4.209 4.350 0.000 0.000 0.268 630 T C 2.094 176.826 174.700 0.053 0.000 1.035 630 T CA 0.970 63.103 62.100 0.055 0.000 1.151 630 T CB 0.057 68.955 68.868 0.049 0.000 0.862 630 T HN 0.268 nan 8.240 nan 0.000 0.438 631 V N 1.445 121.377 119.914 0.030 0.000 2.287 631 V HA -0.192 3.928 4.120 0.000 0.000 0.248 631 V C 2.618 178.723 176.094 0.017 0.000 1.053 631 V CA 1.932 64.243 62.300 0.019 0.000 1.027 631 V CB -0.625 31.202 31.823 0.007 0.000 0.646 631 V HN 0.384 nan 8.190 nan 0.000 0.447 632 R N -0.292 120.219 120.500 0.017 0.000 2.096 632 R HA -0.164 4.176 4.340 0.000 0.000 0.235 632 R C 2.246 178.559 176.300 0.022 0.000 1.127 632 R CA 1.608 57.717 56.100 0.014 0.000 0.968 632 R CB -0.295 30.012 30.300 0.013 0.000 0.861 632 R HN 0.455 nan 8.270 nan 0.000 0.440 633 L N 1.036 122.281 121.223 0.037 0.000 2.027 633 L HA -0.102 4.238 4.340 0.000 0.000 0.206 633 L C 1.942 178.850 176.870 0.063 0.000 1.074 633 L CA 1.638 56.508 54.840 0.050 0.000 0.745 633 L CB -0.431 41.665 42.059 0.062 0.000 0.898 633 L HN 0.222 nan 8.230 nan 0.000 0.433 634 L N -0.633 120.627 121.223 0.061 0.000 2.046 634 L HA -0.236 4.104 4.340 0.000 0.000 0.208 634 L C 2.609 179.466 176.870 -0.022 0.000 1.077 634 L CA 1.596 56.442 54.840 0.011 0.000 0.747 634 L CB -0.677 41.380 42.059 -0.004 0.000 0.896 634 L HN 0.247 nan 8.230 nan 0.000 0.432 635 K N -0.526 119.867 120.400 -0.012 0.000 2.057 635 K HA -0.173 4.147 4.320 0.000 0.000 0.207 635 K C 2.438 179.027 176.600 -0.018 0.000 1.049 635 K CA 1.621 57.895 56.287 -0.022 0.000 0.931 635 K CB -0.256 32.235 32.500 -0.014 0.000 0.714 635 K HN 0.131 nan 8.250 nan 0.000 0.440 636 S N 0.644 116.343 115.700 -0.002 0.000 2.368 636 S HA -0.158 4.312 4.470 0.000 0.000 0.225 636 S C 2.012 176.612 174.600 0.001 0.000 1.030 636 S CA 1.091 59.292 58.200 0.002 0.000 0.999 636 S CB -0.044 63.165 63.200 0.016 0.000 0.844 636 S HN 0.207 nan 8.310 nan 0.000 0.459 637 Q N 0.620 120.425 119.800 0.009 0.000 2.084 637 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 637 Q C 2.601 178.582 176.000 -0.032 0.000 0.978 637 Q CA 2.066 57.876 55.803 0.011 0.000 0.844 637 Q CB -1.286 27.470 28.738 0.029 0.000 0.898 637 Q HN 0.901 nan 8.270 nan 0.000 0.426 638 T N -1.247 113.275 114.554 -0.054 0.000 2.788 638 T HA -0.114 4.236 4.350 0.000 0.000 0.268 638 T C 1.829 176.490 174.700 -0.066 0.000 1.044 638 T CA 0.966 63.024 62.100 -0.071 0.000 1.139 638 T CB -0.172 68.650 68.868 -0.076 0.000 0.867 638 T HN 0.234 nan 8.240 nan 0.000 0.454 639 R N 0.953 121.422 120.500 -0.052 0.000 2.075 639 R HA 0.020 4.360 4.340 0.000 0.000 0.232 639 R C 3.031 179.289 176.300 -0.069 0.000 1.126 639 R CA 1.392 57.460 56.100 -0.053 0.000 0.963 639 R CB -0.690 29.588 30.300 -0.038 0.000 0.858 639 R HN 0.485 nan 8.270 nan 0.000 0.435 640 S N 1.105 116.768 115.700 -0.061 0.000 2.356 640 S HA -0.071 4.399 4.470 0.000 0.000 0.223 640 S C 2.009 176.525 174.600 -0.140 0.000 1.032 640 S CA 0.926 59.080 58.200 -0.076 0.000 1.005 640 S CB -0.111 63.067 63.200 -0.037 0.000 0.867 640 S HN 0.203 nan 8.310 nan 0.000 0.449 641 L N 0.880 122.022 121.223 -0.135 0.000 2.046 641 L HA -0.054 4.286 4.340 0.000 0.000 0.208 641 L C 2.456 179.170 176.870 -0.260 0.000 1.077 641 L CA 1.065 55.780 54.840 -0.209 0.000 0.747 641 L CB -0.478 41.514 42.059 -0.112 0.000 0.896 641 L HN 0.337 nan 8.230 nan 0.000 0.432 642 L N -0.617 120.502 121.223 -0.173 0.000 2.191 642 L HA -0.236 4.104 4.340 0.000 0.000 0.212 642 L C 2.695 179.465 176.870 -0.166 0.000 1.103 642 L CA 1.089 55.837 54.840 -0.154 0.000 0.769 642 L CB -0.382 41.621 42.059 -0.094 0.000 0.908 642 L HN 0.406 nan 8.230 nan 0.000 0.438 643 Q N 0.456 120.155 119.800 -0.169 0.000 2.046 643 Q HA -0.212 4.128 4.340 0.000 0.000 0.200 643 Q C 2.128 177.997 176.000 -0.218 0.000 0.975 643 Q CA 1.412 57.122 55.803 -0.155 0.000 0.836 643 Q CB 0.134 28.798 28.738 -0.123 0.000 0.896 643 Q HN 0.409 nan 8.270 nan 0.000 0.428 644 K N 0.175 120.363 120.400 -0.352 0.000 2.097 644 K HA -0.107 4.213 4.320 0.000 0.000 0.206 644 K C 2.095 178.409 176.600 -0.477 0.000 1.049 644 K CA 1.308 57.274 56.287 -0.536 0.000 0.933 644 K CB -0.083 31.754 32.500 -1.105 0.000 0.717 644 K HN 0.296 nan 8.250 nan 0.000 0.442 645 I N 1.458 121.774 120.570 -0.424 0.000 2.202 645 I HA -0.279 3.891 4.170 0.000 0.000 0.242 645 I C 2.506 178.548 176.117 -0.126 0.000 1.091 645 I CA 1.164 62.334 61.300 -0.216 0.000 1.368 645 I CB -0.304 37.539 38.000 -0.262 0.000 1.058 645 I HN 0.259 nan 8.210 nan 0.000 0.410 646 D N 0.941 121.260 120.400 -0.136 0.000 2.092 646 D HA -0.268 4.372 4.640 0.000 0.000 0.193 646 D C 2.183 178.414 176.300 -0.115 0.000 0.994 646 D CA 1.812 55.752 54.000 -0.099 0.000 0.828 646 D CB 0.017 40.762 40.800 -0.090 0.000 0.963 646 D HN 0.150 nan 8.370 nan 0.000 0.450 647 M N 1.041 120.562 119.600 -0.131 0.000 2.065 647 M HA -0.171 4.309 4.480 0.000 0.000 0.259 647 M C 1.459 177.639 176.300 -0.201 0.000 1.071 647 M CA 1.855 57.075 55.300 -0.133 0.000 1.109 647 M CB -0.529 32.012 32.600 -0.099 0.000 1.313 647 M HN -0.168 nan 8.290 nan 0.000 0.408 648 D N -0.471 119.821 120.400 -0.180 0.000 2.178 648 D HA -0.106 4.534 4.640 0.000 0.000 0.201 648 D C 2.049 178.082 176.300 -0.444 0.000 0.980 648 D CA 1.479 55.272 54.000 -0.345 0.000 0.842 648 D CB -0.274 40.535 40.800 0.014 0.000 0.948 648 D HN 0.382 nan 8.370 nan 0.000 0.472 649 S N 0.109 115.687 115.700 -0.204 0.000 2.345 649 S HA -0.101 4.369 4.470 0.000 0.000 0.220 649 S C 1.794 176.271 174.600 -0.205 0.000 1.031 649 S CA 0.878 58.993 58.200 -0.142 0.000 0.996 649 S CB 0.011 63.188 63.200 -0.038 0.000 0.882 649 S HN 0.239 nan 8.310 nan 0.000 0.445 650 K N 0.795 121.078 120.400 -0.196 0.000 2.063 650 K HA 0.002 4.322 4.320 0.000 0.000 0.208 650 K C 2.179 178.624 176.600 -0.257 0.000 1.048 650 K CA 1.306 57.489 56.287 -0.175 0.000 0.928 650 K CB -0.238 32.184 32.500 -0.130 0.000 0.713 650 K HN 0.347 nan 8.250 nan 0.000 0.442 651 M N 0.540 119.880 119.600 -0.434 0.000 2.229 651 M HA -0.152 4.328 4.480 0.000 0.000 0.264 651 M C 2.279 178.094 176.300 -0.808 0.000 1.063 651 M CA 1.345 56.276 55.300 -0.614 0.000 1.114 651 M CB -0.185 31.922 32.600 -0.822 0.000 1.387 651 M HN 0.073 nan 8.290 nan 0.000 0.420 652 K N 1.009 120.912 120.400 -0.829 0.000 2.057 652 K HA -0.182 4.138 4.320 0.000 0.000 0.206 652 K C 2.071 178.617 176.600 -0.089 0.000 1.050 652 K CA 1.352 57.429 56.287 -0.350 0.000 0.935 652 K CB 0.021 32.431 32.500 -0.150 0.000 0.715 652 K HN 0.134 nan 8.250 nan 0.000 0.439 653 K N 0.088 120.420 120.400 -0.115 0.000 2.002 653 K HA -0.133 4.187 4.320 0.000 0.000 0.209 653 K C 2.223 178.808 176.600 -0.025 0.000 1.048 653 K CA 1.363 57.624 56.287 -0.044 0.000 0.930 653 K CB -0.027 32.444 32.500 -0.050 0.000 0.714 653 K HN 0.099 nan 8.250 nan 0.000 0.438 654 M N 0.776 120.344 119.600 -0.053 0.000 2.082 654 M HA -0.174 4.306 4.480 0.000 0.000 0.258 654 M C 2.337 178.660 176.300 0.037 0.000 1.069 654 M CA 1.870 57.160 55.300 -0.015 0.000 1.102 654 M CB -1.071 31.509 32.600 -0.033 0.000 1.336 654 M HN 0.336 nan 8.290 nan 0.000 0.404 655 A N -0.265 122.602 122.820 0.078 0.000 1.933 655 A HA -0.186 4.134 4.320 0.000 0.000 0.218 655 A C 1.974 179.633 177.584 0.124 0.000 1.175 655 A CA 1.783 53.926 52.037 0.176 0.000 0.628 655 A CB -0.695 18.553 19.000 0.414 0.000 0.814 655 A HN 0.632 nan 8.150 nan 0.000 0.444 656 E N -0.666 119.592 120.200 0.096 0.000 2.150 656 E HA -0.134 4.216 4.350 0.000 0.000 0.193 656 E C 1.743 178.372 176.600 0.049 0.000 0.985 656 E CA 0.884 57.327 56.400 0.071 0.000 0.814 656 E CB -0.211 29.523 29.700 0.058 0.000 0.752 656 E HN 0.459 nan 8.360 nan 0.000 0.466 657 L N 1.007 122.253 121.223 0.039 0.000 2.056 657 L HA -0.181 4.160 4.340 0.000 0.000 0.207 657 L C 2.404 179.294 176.870 0.033 0.000 1.078 657 L CA 1.511 56.369 54.840 0.029 0.000 0.749 657 L CB -0.397 41.674 42.059 0.020 0.000 0.901 657 L HN 0.059 nan 8.230 nan 0.000 0.433 658 Q N -0.904 118.922 119.800 0.044 0.000 2.124 658 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 658 Q C 2.283 178.307 176.000 0.041 0.000 0.977 658 Q CA 1.200 57.029 55.803 0.044 0.000 0.850 658 Q CB -0.419 28.354 28.738 0.059 0.000 0.901 658 Q HN 0.328 nan 8.270 nan 0.000 0.429 659 L N 0.998 122.249 121.223 0.047 0.000 2.191 659 L HA -0.145 4.196 4.340 0.000 0.000 0.212 659 L C 2.250 179.138 176.870 0.029 0.000 1.103 659 L CA 2.004 56.868 54.840 0.040 0.000 0.769 659 L CB -0.651 41.436 42.059 0.047 0.000 0.908 659 L HN 0.197 nan 8.230 nan 0.000 0.438 660 S N -1.664 114.052 115.700 0.027 0.000 2.481 660 S HA -0.052 4.418 4.470 0.000 0.000 0.231 660 S C 1.287 175.897 174.600 0.018 0.000 0.996 660 S CA 0.721 58.934 58.200 0.021 0.000 0.942 660 S CB -0.620 62.591 63.200 0.019 0.000 0.768 660 S HN 0.340 nan 8.310 nan 0.000 0.520 661 V N -1.487 118.439 119.914 0.020 0.000 3.070 661 V HA 0.619 4.739 4.120 0.000 0.000 0.345 661 V C 0.066 176.170 176.094 0.017 0.000 1.403 661 V CA -0.529 61.781 62.300 0.017 0.000 1.155 661 V CB 0.089 31.921 31.823 0.016 0.000 1.140 661 V HN 0.292 nan 8.190 nan 0.000 0.505 662 V N 0.446 120.371 119.914 0.019 0.000 2.417 662 V HA 0.619 4.739 4.120 0.000 0.000 0.291 662 V C 0.928 177.031 176.094 0.014 0.000 1.024 662 V CA 0.841 63.152 62.300 0.018 0.000 0.861 662 V CB 2.063 33.899 31.823 0.022 0.000 0.985 662 V HN 0.438 nan 8.190 nan 0.000 0.436 663 S N 3.359 119.066 115.700 0.012 0.000 2.444 663 S HA 0.084 4.554 4.470 0.000 0.000 0.223 663 S C 0.719 175.324 174.600 0.008 0.000 1.054 663 S CA 0.186 58.392 58.200 0.009 0.000 0.947 663 S CB -0.155 63.050 63.200 0.008 0.000 0.850 663 S HN 0.933 nan 8.310 nan 0.000 0.527 664 D N 3.928 124.333 120.400 0.008 0.000 2.536 664 D HA -0.027 4.613 4.640 0.000 0.000 0.260 664 D C -1.455 174.849 176.300 0.006 0.000 1.270 664 D CA -0.850 53.154 54.000 0.007 0.000 0.934 664 D CB 0.990 41.794 40.800 0.007 0.000 1.129 664 D HN 0.117 nan 8.370 nan 0.000 0.533 665 P HA -0.163 nan 4.420 nan 0.000 0.220 665 P C 1.278 178.579 177.300 0.001 0.000 1.148 665 P CA 0.876 63.978 63.100 0.003 0.000 0.803 665 P CB 0.374 32.075 31.700 0.002 0.000 0.782 666 K N -0.014 120.386 120.400 0.001 0.000 2.148 666 K HA -0.082 4.238 4.320 0.000 0.000 0.204 666 K C 1.957 178.556 176.600 -0.001 0.000 1.050 666 K CA 1.299 57.585 56.287 -0.002 0.000 0.942 666 K CB -0.221 32.279 32.500 -0.001 0.000 0.724 666 K HN 0.163 nan 8.250 nan 0.000 0.446 667 N N -0.398 118.304 118.700 0.003 0.000 2.333 667 N HA -0.063 4.677 4.740 0.000 0.000 0.178 667 N C 1.805 177.320 175.510 0.008 0.000 1.018 667 N CA 0.124 53.178 53.050 0.007 0.000 0.882 667 N CB 0.159 38.653 38.487 0.012 0.000 0.984 667 N HN 0.084 nan 8.380 nan 0.000 0.434 668 R N 1.836 122.340 120.500 0.008 0.000 2.062 668 R HA -0.068 4.272 4.340 0.000 0.000 0.231 668 R C 2.141 178.443 176.300 0.004 0.000 1.136 668 R CA 1.308 57.414 56.100 0.010 0.000 0.948 668 R CB 0.025 30.331 30.300 0.009 0.000 0.845 668 R HN 0.021 nan 8.270 nan 0.000 0.430 669 K N -0.203 120.196 120.400 -0.003 0.000 2.209 669 K HA -0.100 4.220 4.320 0.000 0.000 0.204 669 K C 1.787 178.374 176.600 -0.022 0.000 1.048 669 K CA 1.233 57.513 56.287 -0.011 0.000 0.940 669 K CB -0.032 32.461 32.500 -0.012 0.000 0.729 669 K HN 0.233 nan 8.250 nan 0.000 0.451 670 A N 1.482 124.289 122.820 -0.021 0.000 1.873 670 A HA -0.117 4.203 4.320 0.000 0.000 0.215 670 A C 2.046 179.600 177.584 -0.050 0.000 1.186 670 A CA 1.319 53.334 52.037 -0.038 0.000 0.616 670 A CB -0.515 18.470 19.000 -0.025 0.000 0.823 670 A HN 0.306 nan 8.150 nan 0.000 0.442 671 I N -0.694 119.866 120.570 -0.016 0.000 2.163 671 I HA -0.281 3.889 4.170 0.000 0.000 0.243 671 I C 2.560 178.673 176.117 -0.006 0.000 1.085 671 I CA 1.797 63.102 61.300 0.008 0.000 1.347 671 I CB -0.494 37.534 38.000 0.048 0.000 1.044 671 I HN 0.329 nan 8.210 nan 0.000 0.408 672 E N 1.222 121.420 120.200 -0.004 0.000 2.033 672 E HA -0.229 4.121 4.350 0.000 0.000 0.199 672 E C 1.951 178.528 176.600 -0.037 0.000 1.011 672 E CA 1.618 58.016 56.400 -0.004 0.000 0.815 672 E CB -0.208 29.490 29.700 -0.004 0.000 0.755 672 E HN 0.387 nan 8.360 nan 0.000 0.451 673 N N 0.199 118.860 118.700 -0.065 0.000 2.094 673 N HA -0.220 4.521 4.740 0.000 0.000 0.191 673 N C 1.850 177.251 175.510 -0.181 0.000 1.023 673 N CA 1.294 54.286 53.050 -0.097 0.000 0.857 673 N CB -0.398 38.033 38.487 -0.093 0.000 1.013 673 N HN 0.120 nan 8.380 nan 0.000 0.426 674 Q N 1.067 120.707 119.800 -0.267 0.000 2.096 674 Q HA 0.041 4.381 4.340 0.000 0.000 0.204 674 Q C 2.070 177.719 176.000 -0.585 0.000 0.982 674 Q CA 1.102 56.547 55.803 -0.595 0.000 0.850 674 Q CB -0.365 27.957 28.738 -0.693 0.000 0.901 674 Q HN 0.420 nan 8.270 nan 0.000 0.422 675 I N -0.247 120.244 120.570 -0.133 0.000 2.179 675 I HA -0.300 3.870 4.170 0.000 0.000 0.242 675 I C 2.421 178.608 176.117 0.116 0.000 1.088 675 I CA 1.343 62.758 61.300 0.191 0.000 1.357 675 I CB -0.261 37.851 38.000 0.186 0.000 1.051 675 I HN 0.194 nan 8.210 nan 0.000 0.409 676 R N 1.113 121.620 120.500 0.012 0.000 2.096 676 R HA -0.273 4.067 4.340 0.000 0.000 0.240 676 R C 2.265 178.567 176.300 0.003 0.000 1.139 676 R CA 1.934 58.041 56.100 0.011 0.000 0.952 676 R CB -0.524 29.764 30.300 -0.021 0.000 0.854 676 R HN 0.224 nan 8.270 nan 0.000 0.436 677 Q N -0.639 119.107 119.800 -0.091 0.000 2.084 677 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 677 Q C 1.611 177.615 176.000 0.007 0.000 0.978 677 Q CA 1.932 57.668 55.803 -0.111 0.000 0.844 677 Q CB -0.384 28.199 28.738 -0.257 0.000 0.898 677 Q HN 0.445 nan 8.270 nan 0.000 0.426 678 W N 1.129 122.453 121.300 0.040 0.000 2.355 678 W HA -0.097 4.563 4.660 0.000 0.000 0.309 678 W C 1.891 178.452 176.519 0.069 0.000 1.206 678 W CA 1.378 58.761 57.345 0.064 0.000 1.284 678 W CB -0.726 28.778 29.460 0.073 0.000 1.145 678 W HN 0.394 nan 8.180 nan 0.000 0.502 679 E N 0.013 120.386 120.200 0.288 0.000 2.070 679 E HA -0.302 4.048 4.350 0.000 0.000 0.197 679 E C 2.007 178.701 176.600 0.156 0.000 1.004 679 E CA 1.676 58.194 56.400 0.197 0.000 0.805 679 E CB -0.529 29.254 29.700 0.138 0.000 0.744 679 E HN 0.370 nan 8.360 nan 0.000 0.451 680 Q N 0.674 120.539 119.800 0.107 0.000 2.084 680 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 680 Q C 1.824 177.820 176.000 -0.006 0.000 0.978 680 Q CA 1.331 57.168 55.803 0.057 0.000 0.844 680 Q CB 0.116 28.867 28.738 0.022 0.000 0.898 680 Q HN 0.150 nan 8.270 nan 0.000 0.426 681 N N 0.401 119.091 118.700 -0.017 0.000 2.166 681 N HA -0.143 4.597 4.740 0.000 0.000 0.186 681 N C 1.739 177.065 175.510 -0.306 0.000 1.019 681 N CA 1.036 53.942 53.050 -0.240 0.000 0.856 681 N CB -0.253 38.213 38.487 -0.035 0.000 0.993 681 N HN 0.280 nan 8.380 nan 0.000 0.426 682 L N 1.180 122.464 121.223 0.102 0.000 2.141 682 L HA -0.107 4.233 4.340 0.000 0.000 0.209 682 L C 2.103 179.154 176.870 0.301 0.000 1.094 682 L CA 1.018 56.039 54.840 0.301 0.000 0.763 682 L CB -0.292 41.982 42.059 0.358 0.000 0.908 682 L HN 0.201 nan 8.230 nan 0.000 0.437 683 E N 0.066 120.387 120.200 0.200 0.000 2.051 683 E HA -0.277 4.073 4.350 0.000 0.000 0.192 683 E C 2.062 178.681 176.600 0.031 0.000 0.991 683 E CA 1.219 57.755 56.400 0.226 0.000 0.799 683 E CB -0.031 29.828 29.700 0.264 0.000 0.748 683 E HN 0.177 nan 8.360 nan 0.000 0.449 684 K N 0.903 121.251 120.400 -0.087 0.000 2.032 684 K HA -0.162 4.158 4.320 0.000 0.000 0.209 684 K C 1.756 178.326 176.600 -0.050 0.000 1.048 684 K CA 1.402 57.598 56.287 -0.151 0.000 0.927 684 K CB -0.464 31.874 32.500 -0.270 0.000 0.712 684 K HN -0.005 nan 8.250 nan 0.000 0.441 685 F N 0.804 120.762 119.950 0.014 0.000 2.126 685 F HA -0.173 4.354 4.527 0.000 0.000 0.299 685 F C 2.498 178.241 175.800 -0.094 0.000 1.096 685 F CA 1.546 59.515 58.000 -0.052 0.000 1.255 685 F CB -1.009 37.935 39.000 -0.094 0.000 0.997 685 F HN 0.265 nan 8.300 nan 0.000 0.479 686 H N -1.249 117.942 119.070 0.202 0.000 2.423 686 H HA -0.137 4.420 4.556 0.000 0.000 0.297 686 H C 2.213 177.576 175.328 0.059 0.000 1.075 686 H CA 1.690 57.815 56.048 0.129 0.000 1.342 686 H CB -0.304 29.544 29.762 0.143 0.000 1.395 686 H HN 0.208 nan 8.280 nan 0.000 0.530 687 M N 1.059 120.700 119.600 0.067 0.000 2.099 687 M HA -0.116 4.364 4.480 0.000 0.000 0.262 687 M C 1.452 177.728 176.300 -0.039 0.000 1.067 687 M CA 1.523 56.775 55.300 -0.079 0.000 1.124 687 M CB -0.258 32.206 32.600 -0.227 0.000 1.353 687 M HN -0.014 nan 8.290 nan 0.000 0.410 688 D N -0.134 120.255 120.400 -0.017 0.000 2.117 688 D HA -0.149 4.491 4.640 0.000 0.000 0.197 688 D C 2.005 178.247 176.300 -0.097 0.000 0.987 688 D CA 1.274 55.240 54.000 -0.056 0.000 0.829 688 D CB -0.558 40.257 40.800 0.025 0.000 0.961 688 D HN 0.358 nan 8.370 nan 0.000 0.460 689 L N -0.002 121.209 121.223 -0.022 0.000 2.046 689 L HA -0.121 4.219 4.340 0.000 0.000 0.208 689 L C 2.087 178.930 176.870 -0.045 0.000 1.077 689 L CA 1.444 56.260 54.840 -0.040 0.000 0.747 689 L CB -0.805 41.253 42.059 -0.002 0.000 0.896 689 L HN -0.055 nan 8.230 nan 0.000 0.432 690 F N 0.273 120.149 119.950 -0.123 0.000 2.134 690 F HA -0.189 4.339 4.527 0.000 0.000 0.299 690 F C 2.763 178.398 175.800 -0.274 0.000 1.097 690 F CA 1.924 59.842 58.000 -0.137 0.000 1.264 690 F CB -0.238 38.714 39.000 -0.081 0.000 1.001 690 F HN 0.081 nan 8.300 nan 0.000 0.479 691 R N -0.262 120.099 120.500 -0.233 0.000 2.073 691 R HA -0.177 4.163 4.340 0.000 0.000 0.234 691 R C 2.231 177.966 176.300 -0.941 0.000 1.134 691 R CA 1.845 57.581 56.100 -0.608 0.000 0.952 691 R CB -0.193 29.753 30.300 -0.589 0.000 0.850 691 R HN 0.206 nan 8.270 nan 0.000 0.433 692 M N 0.244 119.442 119.600 -0.671 0.000 2.108 692 M HA -0.169 4.311 4.480 0.000 0.000 0.261 692 M C 2.189 178.241 176.300 -0.413 0.000 1.066 692 M CA 1.722 56.680 55.300 -0.569 0.000 1.107 692 M CB -0.833 31.553 32.600 -0.358 0.000 1.356 692 M HN 0.185 nan 8.290 nan 0.000 0.406 693 R N -0.886 119.386 120.500 -0.381 0.000 2.096 693 R HA -0.111 4.229 4.340 0.000 0.000 0.235 693 R C 2.456 178.534 176.300 -0.370 0.000 1.127 693 R CA 1.408 57.315 56.100 -0.322 0.000 0.968 693 R CB -0.531 29.583 30.300 -0.310 0.000 0.861 693 R HN 0.378 nan 8.270 nan 0.000 0.440 694 C N -0.302 118.664 119.300 -0.555 0.000 2.432 694 C HA -0.109 4.351 4.460 0.000 0.000 0.277 694 C C 2.430 177.237 174.990 -0.305 0.000 1.249 694 C CA 0.355 59.046 59.018 -0.544 0.000 1.725 694 C CB -0.844 26.399 27.740 -0.829 0.000 2.028 694 C HN 0.446 nan 8.230 nan 0.000 0.477 695 Y N 0.223 120.253 120.300 -0.450 0.000 2.181 695 Y HA -0.106 4.444 4.550 0.000 0.000 0.288 695 Y C 2.332 178.132 175.900 -0.166 0.000 1.146 695 Y CA 0.708 58.647 58.100 -0.268 0.000 1.164 695 Y CB -1.440 36.875 38.460 -0.241 0.000 0.982 695 Y HN 0.177 nan 8.280 nan 0.000 0.515 696 L N 0.007 121.222 121.223 -0.013 0.000 2.012 696 L HA -0.170 4.170 4.340 0.000 0.000 0.210 696 L C 2.492 179.340 176.870 -0.036 0.000 1.073 696 L CA 2.023 56.843 54.840 -0.034 0.000 0.748 696 L CB -1.300 40.715 42.059 -0.074 0.000 0.891 696 L HN 0.149 nan 8.230 nan 0.000 0.431 697 A N -1.942 120.841 122.820 -0.062 0.000 1.877 697 A HA -0.196 4.124 4.320 0.000 0.000 0.216 697 A C 2.416 179.996 177.584 -0.006 0.000 1.186 697 A CA 2.028 54.040 52.037 -0.042 0.000 0.620 697 A CB -0.896 18.065 19.000 -0.065 0.000 0.822 697 A HN 0.474 nan 8.150 nan 0.000 0.443 698 S N -0.335 115.381 115.700 0.027 0.000 2.399 698 S HA -0.032 4.439 4.470 0.000 0.000 0.231 698 S C 1.716 176.324 174.600 0.014 0.000 1.022 698 S CA 1.236 59.470 58.200 0.056 0.000 0.983 698 S CB -0.334 62.962 63.200 0.160 0.000 0.803 698 S HN 0.496 nan 8.310 nan 0.000 0.480 699 L N 0.628 121.854 121.223 0.006 0.000 2.240 699 L HA 0.035 4.375 4.340 0.000 0.000 0.211 699 L C 1.857 178.719 176.870 -0.013 0.000 1.106 699 L CA 0.923 55.758 54.840 -0.009 0.000 0.793 699 L CB -0.189 41.867 42.059 -0.005 0.000 0.927 699 L HN 0.317 nan 8.230 nan 0.000 0.446 700 Q N -0.611 119.182 119.800 -0.012 0.000 2.198 700 Q HA 0.193 4.533 4.340 0.000 0.000 0.209 700 Q C 1.070 177.062 176.000 -0.014 0.000 0.848 700 Q CA 0.407 56.202 55.803 -0.014 0.000 0.974 700 Q CB 1.044 29.773 28.738 -0.016 0.000 1.115 700 Q HN 0.458 nan 8.270 nan 0.000 0.494 701 G N 0.990 109.782 108.800 -0.013 0.000 2.203 701 G HA2 -0.279 3.681 3.960 0.000 0.000 0.263 701 G HA3 -0.279 3.681 3.960 0.000 0.000 0.263 701 G C 0.376 175.271 174.900 -0.009 0.000 1.012 701 G CA 0.081 45.173 45.100 -0.012 0.000 0.749 701 G HN 0.502 nan 8.290 nan 0.000 0.512 702 G N -1.245 107.548 108.800 -0.011 0.000 2.557 702 G HA2 0.556 4.516 3.960 0.000 0.000 0.292 702 G HA3 0.556 4.516 3.960 0.000 0.000 0.292 702 G C -0.032 174.864 174.900 -0.008 0.000 1.237 702 G CA -0.525 44.568 45.100 -0.011 0.000 0.978 702 G HN 0.214 nan 8.290 nan 0.000 0.498 703 E N -0.158 120.039 120.200 -0.006 0.000 2.373 703 E HA 0.089 4.439 4.350 0.000 0.000 0.267 703 E C 0.254 176.845 176.600 -0.015 0.000 1.032 703 E CA -0.309 56.092 56.400 0.002 0.000 0.889 703 E CB 1.204 30.909 29.700 0.009 0.000 0.984 703 E HN 0.040 nan 8.360 nan 0.000 0.425 704 L N 4.671 125.891 121.223 -0.004 0.000 2.439 704 L HA 0.167 4.507 4.340 0.000 0.000 0.269 704 L C -1.602 175.229 176.870 -0.066 0.000 1.179 704 L CA -1.227 53.583 54.840 -0.049 0.000 0.828 704 L CB -0.391 41.675 42.059 0.012 0.000 1.106 704 L HN 0.286 nan 8.230 nan 0.000 0.467 705 P HA -0.032 nan 4.420 nan 0.000 0.267 705 P C -0.340 177.034 177.300 0.124 0.000 1.200 705 P CA -0.444 62.588 63.100 -0.113 0.000 0.772 705 P CB 0.493 31.981 31.700 -0.353 0.000 0.855 706 N N 3.456 122.268 118.700 0.187 0.000 2.438 706 N HA 0.011 4.751 4.740 0.000 0.000 0.267 706 N C -1.146 174.566 175.510 0.337 0.000 1.222 706 N CA -1.680 51.501 53.050 0.218 0.000 0.930 706 N CB 0.283 38.850 38.487 0.133 0.000 1.083 706 N HN 0.261 nan 8.380 nan 0.000 0.476 707 P HA -0.130 nan 4.420 nan 0.000 0.220 707 P C 0.727 178.037 177.300 0.017 0.000 1.148 707 P CA 0.983 64.163 63.100 0.133 0.000 0.803 707 P CB 0.472 32.255 31.700 0.139 0.000 0.782 708 K N 0.224 120.656 120.400 0.053 0.000 2.147 708 K HA -0.012 4.308 4.320 0.000 0.000 0.205 708 K C 2.262 178.862 176.600 -0.000 0.000 1.049 708 K CA 1.007 57.303 56.287 0.014 0.000 0.936 708 K CB -1.052 31.463 32.500 0.025 0.000 0.722 708 K HN 0.154 nan 8.250 nan 0.000 0.446 709 S N 1.553 117.277 115.700 0.039 0.000 2.368 709 S HA -0.115 4.356 4.470 0.000 0.000 0.224 709 S C 1.848 176.439 174.600 -0.014 0.000 1.029 709 S CA 0.828 59.047 58.200 0.031 0.000 0.988 709 S CB -0.219 63.037 63.200 0.093 0.000 0.838 709 S HN 0.200 nan 8.310 nan 0.000 0.462 710 L N 2.086 123.299 121.223 -0.016 0.000 2.027 710 L HA 0.082 4.422 4.340 0.000 0.000 0.206 710 L C 1.841 178.698 176.870 -0.022 0.000 1.074 710 L CA 1.623 56.432 54.840 -0.051 0.000 0.745 710 L CB -0.741 41.126 42.059 -0.321 0.000 0.898 710 L HN 0.265 nan 8.230 nan 0.000 0.433 711 L N -0.223 120.954 121.223 -0.077 0.000 2.353 711 L HA -0.140 4.200 4.340 0.000 0.000 0.220 711 L C 2.534 179.293 176.870 -0.184 0.000 1.133 711 L CA 0.835 55.579 54.840 -0.159 0.000 0.798 711 L CB -0.910 41.066 42.059 -0.138 0.000 0.922 711 L HN 0.431 nan 8.230 nan 0.000 0.445 712 A N 0.003 122.744 122.820 -0.131 0.000 2.121 712 A HA -0.012 4.308 4.320 0.000 0.000 0.218 712 A C 2.351 179.847 177.584 -0.147 0.000 1.154 712 A CA 1.382 53.344 52.037 -0.125 0.000 0.679 712 A CB -0.328 18.614 19.000 -0.096 0.000 0.795 712 A HN 0.385 nan 8.150 nan 0.000 0.458 713 A N -0.848 121.870 122.820 -0.171 0.000 2.218 713 A HA 0.254 4.574 4.320 0.000 0.000 0.209 713 A C 1.049 178.607 177.584 -0.043 0.000 1.168 713 A CA 0.582 52.548 52.037 -0.117 0.000 0.804 713 A CB -0.590 18.286 19.000 -0.206 0.000 0.834 713 A HN 0.277 nan 8.150 nan 0.000 0.482 714 T N 2.679 117.066 114.554 -0.279 0.000 2.793 714 T HA 0.297 4.647 4.350 0.000 0.000 0.289 714 T C 0.810 175.383 174.700 -0.212 0.000 0.956 714 T CA 0.508 62.297 62.100 -0.518 0.000 1.177 714 T CB 0.267 68.592 68.868 -0.905 0.000 0.897 714 T HN 0.579 nan 8.240 nan 0.000 0.533 715 S N 3.618 119.269 115.700 -0.081 0.000 2.580 715 S HA 0.137 4.607 4.470 0.000 0.000 0.266 715 S C 1.436 176.000 174.600 -0.060 0.000 1.354 715 S CA -0.766 57.417 58.200 -0.028 0.000 1.008 715 S CB 0.864 64.082 63.200 0.029 0.000 0.898 715 S HN 0.777 nan 8.310 nan 0.000 0.555 716 R N 1.085 121.563 120.500 -0.035 0.000 2.081 716 R HA -0.003 4.337 4.340 0.000 0.000 0.235 716 R C -0.928 175.352 176.300 -0.033 0.000 1.131 716 R CA 1.427 57.503 56.100 -0.040 0.000 0.960 716 R CB -1.549 28.737 30.300 -0.023 0.000 0.856 716 R HN 0.559 nan 8.270 nan 0.000 0.436 717 P HA -0.066 nan 4.420 nan 0.000 0.215 717 P C 1.027 178.321 177.300 -0.009 0.000 1.157 717 P CA 1.584 64.679 63.100 -0.008 0.000 0.868 717 P CB 0.049 31.752 31.700 0.004 0.000 0.788 718 S N -0.337 115.361 115.700 -0.004 0.000 2.359 718 S HA -0.218 4.252 4.470 0.000 0.000 0.224 718 S C 1.915 176.489 174.600 -0.044 0.000 1.035 718 S CA 1.423 59.627 58.200 0.007 0.000 1.018 718 S CB -0.762 62.465 63.200 0.044 0.000 0.876 718 S HN 0.225 nan 8.310 nan 0.000 0.448 719 K N 1.018 121.361 120.400 -0.095 0.000 2.032 719 K HA -0.088 4.232 4.320 0.000 0.000 0.209 719 K C 1.996 178.558 176.600 -0.064 0.000 1.048 719 K CA 1.249 57.469 56.287 -0.112 0.000 0.927 719 K CB -0.294 32.135 32.500 -0.120 0.000 0.712 719 K HN 0.302 nan 8.250 nan 0.000 0.441 720 L N 0.170 121.367 121.223 -0.045 0.000 2.093 720 L HA -0.130 4.210 4.340 0.000 0.000 0.208 720 L C 2.600 179.457 176.870 -0.022 0.000 1.085 720 L CA 1.048 55.869 54.840 -0.031 0.000 0.755 720 L CB -0.524 41.521 42.059 -0.024 0.000 0.904 720 L HN 0.276 nan 8.230 nan 0.000 0.435 721 A N 0.206 123.016 122.820 -0.015 0.000 1.933 721 A HA -0.115 4.205 4.320 0.000 0.000 0.218 721 A C 2.167 179.747 177.584 -0.006 0.000 1.175 721 A CA 1.305 53.338 52.037 -0.006 0.000 0.628 721 A CB -0.558 18.446 19.000 0.008 0.000 0.814 721 A HN 0.397 nan 8.150 nan 0.000 0.444 722 L N -0.719 120.499 121.223 -0.008 0.000 2.492 722 L HA 0.048 4.388 4.340 0.000 0.000 0.223 722 L C 2.570 179.429 176.870 -0.018 0.000 1.132 722 L CA 0.386 55.222 54.840 -0.006 0.000 0.850 722 L CB -0.435 41.624 42.059 -0.000 0.000 0.966 722 L HN 0.460 nan 8.230 nan 0.000 0.454 723 G N 1.427 110.213 108.800 -0.025 0.000 2.442 723 G HA2 -0.271 3.689 3.960 0.000 0.000 0.219 723 G HA3 -0.271 3.689 3.960 0.000 0.000 0.219 723 G C 1.672 176.557 174.900 -0.024 0.000 1.141 723 G CA 0.736 45.820 45.100 -0.027 0.000 0.763 723 G HN 0.524 nan 8.290 nan 0.000 0.554 724 R N -0.010 120.476 120.500 -0.022 0.000 2.316 724 R HA 0.286 4.626 4.340 0.000 0.000 0.202 724 R C 2.088 178.372 176.300 -0.026 0.000 1.029 724 R CA 0.642 56.728 56.100 -0.023 0.000 1.018 724 R CB -0.387 29.900 30.300 -0.022 0.000 0.888 724 R HN 0.417 nan 8.270 nan 0.000 0.471 725 L N -0.070 121.139 121.223 -0.024 0.000 2.529 725 L HA 0.276 4.616 4.340 0.000 0.000 0.223 725 L C 0.479 177.332 176.870 -0.028 0.000 1.113 725 L CA 0.676 55.499 54.840 -0.028 0.000 0.861 725 L CB 0.329 42.375 42.059 -0.021 0.000 1.012 725 L HN 0.528 nan 8.230 nan 0.000 0.461 726 G N -0.713 108.072 108.800 -0.025 0.000 2.318 726 G HA2 -0.143 3.817 3.960 0.000 0.000 0.367 726 G HA3 -0.143 3.817 3.960 0.000 0.000 0.367 726 G C -0.970 173.918 174.900 -0.020 0.000 1.260 726 G CA -0.306 44.779 45.100 -0.025 0.000 1.055 726 G HN -0.050 nan 8.290 nan 0.000 0.484 727 V N 2.031 121.935 119.914 -0.017 0.000 2.673 727 V HA 0.413 4.533 4.120 0.000 0.000 0.303 727 V C 1.210 177.297 176.094 -0.011 0.000 1.046 727 V CA -0.391 61.900 62.300 -0.016 0.000 1.126 727 V CB 0.991 32.808 31.823 -0.010 0.000 0.934 727 V HN 1.016 nan 8.190 nan 0.000 0.487 728 L N 7.551 128.759 121.223 -0.025 0.000 2.499 728 L HA 0.369 4.709 4.340 0.000 0.000 0.273 728 L C 0.210 177.074 176.870 -0.011 0.000 1.195 728 L CA 1.040 55.860 54.840 -0.034 0.000 0.882 728 L CB 0.813 42.822 42.059 -0.083 0.000 1.133 728 L HN 1.056 nan 8.230 nan 0.000 0.483 729 S N 3.216 118.931 115.700 0.025 0.000 2.651 729 S HA 0.394 4.864 4.470 0.000 0.000 0.279 729 S C 0.697 175.358 174.600 0.101 0.000 1.148 729 S CA -0.634 57.599 58.200 0.056 0.000 0.837 729 S CB 1.655 64.904 63.200 0.080 0.000 1.138 729 S HN 0.338 nan 8.310 nan 0.000 0.478 730 V N 1.814 121.781 119.914 0.088 0.000 2.343 730 V HA -0.146 3.974 4.120 0.000 0.000 0.247 730 V C 2.682 178.874 176.094 0.165 0.000 1.051 730 V CA 2.637 64.984 62.300 0.078 0.000 1.036 730 V CB -1.214 30.564 31.823 -0.074 0.000 0.654 730 V HN 0.942 nan 8.190 nan 0.000 0.451 731 S N 0.666 116.475 115.700 0.182 0.000 2.368 731 S HA -0.204 4.266 4.470 0.000 0.000 0.225 731 S C 2.207 176.919 174.600 0.187 0.000 1.030 731 S CA 1.792 60.124 58.200 0.220 0.000 0.999 731 S CB -0.388 62.937 63.200 0.208 0.000 0.844 731 S HN 0.832 nan 8.310 nan 0.000 0.459 732 S N 1.171 116.962 115.700 0.151 0.000 2.406 732 S HA -0.010 4.460 4.470 0.000 0.000 0.228 732 S C 1.655 176.371 174.600 0.193 0.000 1.020 732 S CA 0.522 58.795 58.200 0.121 0.000 0.965 732 S CB -0.634 62.613 63.200 0.077 0.000 0.798 732 S HN 0.411 nan 8.310 nan 0.000 0.488 733 F N 2.956 122.928 119.950 0.037 0.000 2.186 733 F HA -0.002 4.525 4.527 0.000 0.000 0.299 733 F C 2.266 178.121 175.800 0.092 0.000 1.090 733 F CA 1.335 59.354 58.000 0.032 0.000 1.307 733 F CB -1.145 37.849 39.000 -0.009 0.000 1.019 733 F HN 0.468 nan 8.300 nan 0.000 0.489 734 H N -0.437 118.622 119.070 -0.020 0.000 2.321 734 H HA -0.085 4.471 4.556 0.000 0.000 0.300 734 H C 2.217 177.522 175.328 -0.038 0.000 1.087 734 H CA 1.031 57.016 56.048 -0.105 0.000 1.319 734 H CB 0.053 29.817 29.762 0.003 0.000 1.379 734 H HN 0.274 nan 8.280 nan 0.000 0.501 735 A N 1.163 123.962 122.820 -0.035 0.000 1.908 735 A HA -0.174 4.146 4.320 0.000 0.000 0.218 735 A C 2.394 179.951 177.584 -0.046 0.000 1.181 735 A CA 1.500 53.474 52.037 -0.105 0.000 0.627 735 A CB -0.776 18.196 19.000 -0.047 0.000 0.818 735 A HN 0.464 nan 8.150 nan 0.000 0.445 736 L N -0.139 121.100 121.223 0.028 0.000 1.994 736 L HA -0.101 4.239 4.340 0.000 0.000 0.208 736 L C 2.424 179.303 176.870 0.015 0.000 1.071 736 L CA 1.967 56.838 54.840 0.052 0.000 0.745 736 L CB -0.581 41.571 42.059 0.154 0.000 0.892 736 L HN 0.153 nan 8.230 nan 0.000 0.431 737 V N -1.185 118.711 119.914 -0.030 0.000 2.392 737 V HA -0.356 3.764 4.120 0.000 0.000 0.249 737 V C 2.640 178.715 176.094 -0.031 0.000 1.059 737 V CA 1.827 64.090 62.300 -0.062 0.000 1.051 737 V CB -0.830 30.889 31.823 -0.173 0.000 0.658 737 V HN 0.638 nan 8.190 nan 0.000 0.455 738 C N 0.608 119.882 119.300 -0.043 0.000 2.446 738 C HA -0.111 4.349 4.460 0.000 0.000 0.277 738 C C 3.157 178.132 174.990 -0.025 0.000 1.275 738 C CA 1.315 60.307 59.018 -0.043 0.000 1.727 738 C CB -1.086 26.575 27.740 -0.132 0.000 2.010 738 C HN 0.753 nan 8.230 nan 0.000 0.486 739 S N 0.613 116.297 115.700 -0.028 0.000 2.537 739 S HA -0.110 4.360 4.470 0.000 0.000 0.240 739 S C 1.526 176.123 174.600 -0.005 0.000 0.981 739 S CA 1.035 59.227 58.200 -0.014 0.000 0.948 739 S CB -0.541 62.652 63.200 -0.012 0.000 0.759 739 S HN 0.710 nan 8.310 nan 0.000 0.531 740 R N 0.608 121.105 120.500 -0.005 0.000 2.195 740 R HA 0.205 4.545 4.340 0.000 0.000 0.197 740 R C 0.103 176.402 176.300 -0.003 0.000 0.990 740 R CA 0.378 56.476 56.100 -0.004 0.000 1.048 740 R CB -0.175 30.121 30.300 -0.006 0.000 0.997 740 R HN 0.307 nan 8.270 nan 0.000 0.502 741 D N 2.705 123.105 120.400 0.001 0.000 2.357 741 D HA 0.014 4.654 4.640 0.000 0.000 0.265 741 D C -0.360 175.948 176.300 0.013 0.000 1.334 741 D CA 0.385 54.391 54.000 0.010 0.000 0.984 741 D CB -0.220 40.594 40.800 0.023 0.000 1.077 741 D HN 0.257 nan 8.370 nan 0.000 0.514 742 D N 0.000 120.406 120.400 0.009 0.000 6.856 742 D HA 0.000 4.640 4.640 0.000 0.000 0.175 742 D CA 0.000 54.006 54.000 0.010 0.000 0.868 742 D CB 0.000 40.804 40.800 0.006 0.000 0.688 742 D HN 0.000 nan 8.370 nan 0.000 0.683