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 1qpn_1_F DATA FIRST_RESID 2502 DATA SEQUENCE GLSDWELAAA RAAIARGLDE DLRYGPDVTT LATVPASATT TASLVTREAG DATA SEQUENCE VVAGLDVALL TLNEVLGTNG YRVLDRVEDG ARVPPGEALM TLEAQTRGLL DATA SEQUENCE TAERTMLNLV GHLSGIATAT AAWVDAVRGT KAKIRDTRKT LPGLRALQKY DATA SEQUENCE AVRTGGGVNH RLGLGDAALI KDNHVAAAGS VVDALRAVRN AAPDLPCEVE DATA SEQUENCE VDSLEQLDAV LPEKPELILL DNFAVWQTQT AVQRRDSRAP TVMLESSGGL DATA SEQUENCE SLQTAATYAE TGVDYLAVGA LTHSVRVLDI GLDM 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 2502 G HA2 0.000 nan 3.960 nan 0.000 0.244 2502 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 2502 G C 0.000 174.855 174.900 -0.075 0.000 0.946 2502 G CA 0.000 45.115 45.100 0.025 0.000 0.502 2503 L N 2.592 123.694 121.223 -0.201 0.000 2.360 2503 L HA 0.401 4.741 4.340 0.000 0.000 0.276 2503 L C 1.441 178.234 176.870 -0.128 0.000 1.121 2503 L CA -0.557 54.108 54.840 -0.291 0.000 0.845 2503 L CB 1.222 43.091 42.059 -0.316 0.000 1.143 2503 L HN 0.715 nan 8.230 nan 0.000 0.452 2504 S N 0.168 115.817 115.700 -0.085 0.000 2.624 2504 S HA 0.060 4.531 4.470 0.000 0.000 0.263 2504 S C 0.772 175.377 174.600 0.009 0.000 1.287 2504 S CA -0.326 57.877 58.200 0.006 0.000 0.990 2504 S CB 1.064 64.312 63.200 0.080 0.000 0.950 2504 S HN 0.714 nan 8.310 nan 0.000 0.561 2505 D N 0.012 120.448 120.400 0.060 0.000 2.221 2505 D HA -0.195 4.446 4.640 0.000 0.000 0.204 2505 D C 1.496 177.882 176.300 0.143 0.000 0.982 2505 D CA 1.169 55.213 54.000 0.073 0.000 0.857 2505 D CB -0.470 40.377 40.800 0.079 0.000 0.934 2505 D HN 0.767 nan 8.370 nan 0.000 0.475 2506 W N 1.535 122.822 121.300 -0.022 0.000 2.408 2506 W HA -0.136 4.524 4.660 0.000 0.000 0.311 2506 W C 1.593 178.095 176.519 -0.028 0.000 1.190 2506 W CA 0.990 58.324 57.345 -0.019 0.000 1.321 2506 W CB 0.055 29.509 29.460 -0.010 0.000 1.143 2506 W HN -0.040 nan 8.180 nan 0.000 0.501 2507 E N 0.696 120.647 120.200 -0.416 0.000 2.110 2507 E HA -0.258 4.092 4.350 0.000 0.000 0.193 2507 E C 2.071 178.431 176.600 -0.399 0.000 0.988 2507 E CA 1.389 57.443 56.400 -0.576 0.000 0.804 2507 E CB -0.405 29.053 29.700 -0.404 0.000 0.745 2507 E HN 0.135 nan 8.360 nan 0.000 0.458 2508 L N 0.599 121.680 121.223 -0.236 0.000 2.083 2508 L HA -0.144 4.196 4.340 0.000 0.000 0.209 2508 L C 2.140 178.927 176.870 -0.138 0.000 1.083 2508 L CA 1.798 56.540 54.840 -0.163 0.000 0.752 2508 L CB -0.564 41.442 42.059 -0.090 0.000 0.899 2508 L HN 0.067 nan 8.230 nan 0.000 0.433 2509 A N -1.107 121.646 122.820 -0.112 0.000 1.930 2509 A HA -0.049 4.271 4.320 0.000 0.000 0.217 2509 A C 2.437 179.940 177.584 -0.135 0.000 1.175 2509 A CA 1.482 53.487 52.037 -0.055 0.000 0.627 2509 A CB -0.934 18.117 19.000 0.084 0.000 0.815 2509 A HN 0.463 nan 8.150 nan 0.000 0.443 2510 A N 0.079 122.698 122.820 -0.335 0.000 1.877 2510 A HA 0.143 4.463 4.320 0.000 0.000 0.216 2510 A C 2.521 179.970 177.584 -0.226 0.000 1.186 2510 A CA 2.171 53.982 52.037 -0.377 0.000 0.620 2510 A CB -1.104 17.480 19.000 -0.693 0.000 0.822 2510 A HN 1.028 nan 8.150 nan 0.000 0.443 2511 A N -0.093 122.592 122.820 -0.225 0.000 1.851 2511 A HA -0.217 4.103 4.320 0.000 0.000 0.216 2511 A C 2.253 179.775 177.584 -0.103 0.000 1.195 2511 A CA 1.723 53.667 52.037 -0.155 0.000 0.622 2511 A CB -0.600 18.303 19.000 -0.161 0.000 0.831 2511 A HN 0.546 nan 8.150 nan 0.000 0.444 2512 R N -0.682 119.765 120.500 -0.088 0.000 2.103 2512 R HA -0.167 4.173 4.340 0.000 0.000 0.242 2512 R C 2.490 178.764 176.300 -0.043 0.000 1.142 2512 R CA 1.374 57.442 56.100 -0.053 0.000 0.960 2512 R CB -0.562 29.716 30.300 -0.037 0.000 0.858 2512 R HN 0.547 nan 8.270 nan 0.000 0.439 2513 A N 1.175 123.967 122.820 -0.046 0.000 1.902 2513 A HA -0.115 4.205 4.320 0.000 0.000 0.217 2513 A C 2.382 179.944 177.584 -0.036 0.000 1.181 2513 A CA 1.707 53.726 52.037 -0.030 0.000 0.623 2513 A CB -0.621 18.367 19.000 -0.020 0.000 0.818 2513 A HN 0.417 nan 8.150 nan 0.000 0.443 2514 A N 0.586 123.374 122.820 -0.055 0.000 1.845 2514 A HA -0.063 4.257 4.320 0.000 0.000 0.215 2514 A C 2.136 179.693 177.584 -0.044 0.000 1.195 2514 A CA 1.831 53.836 52.037 -0.053 0.000 0.616 2514 A CB -0.883 18.075 19.000 -0.070 0.000 0.832 2514 A HN 1.173 nan 8.150 nan 0.000 0.443 2515 I N -1.027 119.515 120.570 -0.046 0.000 2.264 2515 I HA -0.155 4.015 4.170 0.000 0.000 0.248 2515 I C 2.295 178.396 176.117 -0.028 0.000 1.111 2515 I CA 1.865 63.143 61.300 -0.037 0.000 1.382 2515 I CB -0.808 37.168 38.000 -0.040 0.000 1.060 2515 I HN 0.217 nan 8.210 nan 0.000 0.418 2516 A N 1.361 124.165 122.820 -0.026 0.000 1.865 2516 A HA -0.203 4.118 4.320 0.000 0.000 0.217 2516 A C 2.498 180.071 177.584 -0.017 0.000 1.191 2516 A CA 2.133 54.159 52.037 -0.019 0.000 0.623 2516 A CB -0.806 18.184 19.000 -0.016 0.000 0.826 2516 A HN 0.559 nan 8.150 nan 0.000 0.444 2517 R N -0.859 119.630 120.500 -0.019 0.000 2.105 2517 R HA -0.116 4.224 4.340 0.000 0.000 0.239 2517 R C 2.377 178.670 176.300 -0.013 0.000 1.135 2517 R CA 1.118 57.209 56.100 -0.016 0.000 0.967 2517 R CB -0.699 29.591 30.300 -0.018 0.000 0.861 2517 R HN 0.551 nan 8.270 nan 0.000 0.442 2518 G N 1.441 110.231 108.800 -0.017 0.000 2.480 2518 G HA2 -0.239 3.721 3.960 0.000 0.000 0.216 2518 G HA3 -0.239 3.721 3.960 0.000 0.000 0.216 2518 G C 1.432 176.330 174.900 -0.004 0.000 1.200 2518 G CA 0.550 45.642 45.100 -0.013 0.000 0.782 2518 G HN 0.138 nan 8.290 nan 0.000 0.554 2519 L N 0.435 121.653 121.223 -0.008 0.000 2.131 2519 L HA -0.042 4.298 4.340 0.000 0.000 0.210 2519 L C 2.464 179.333 176.870 -0.001 0.000 1.092 2519 L CA 1.327 56.165 54.840 -0.003 0.000 0.759 2519 L CB -0.319 41.736 42.059 -0.008 0.000 0.903 2519 L HN 0.246 nan 8.230 nan 0.000 0.435 2520 D N 0.109 120.505 120.400 -0.007 0.000 2.144 2520 D HA -0.184 4.456 4.640 0.000 0.000 0.200 2520 D C 2.011 178.306 176.300 -0.008 0.000 0.978 2520 D CA 1.093 55.082 54.000 -0.017 0.000 0.833 2520 D CB 0.186 40.972 40.800 -0.024 0.000 0.961 2520 D HN 0.309 nan 8.370 nan 0.000 0.470 2521 E N -0.207 120.004 120.200 0.019 0.000 2.077 2521 E HA -0.156 4.194 4.350 0.000 0.000 0.193 2521 E C 1.463 178.139 176.600 0.126 0.000 0.989 2521 E CA 1.086 57.527 56.400 0.068 0.000 0.800 2521 E CB 0.001 29.737 29.700 0.060 0.000 0.746 2521 E HN 0.313 nan 8.360 nan 0.000 0.452 2522 D N 0.411 120.859 120.400 0.081 0.000 2.123 2522 D HA -0.056 4.584 4.640 0.000 0.000 0.200 2522 D C 1.771 178.135 176.300 0.107 0.000 0.976 2522 D CA 0.794 54.850 54.000 0.094 0.000 0.831 2522 D CB 0.109 40.937 40.800 0.046 0.000 0.974 2522 D HN 0.098 nan 8.370 nan 0.000 0.469 2523 L N 0.031 121.283 121.223 0.049 0.000 2.509 2523 L HA 0.159 4.499 4.340 0.000 0.000 0.222 2523 L C 2.288 179.138 176.870 -0.033 0.000 1.123 2523 L CA 0.007 54.860 54.840 0.021 0.000 0.856 2523 L CB -0.093 41.966 42.059 0.000 0.000 0.985 2523 L HN -0.068 nan 8.230 nan 0.000 0.456 2524 R N 0.501 120.938 120.500 -0.106 0.000 2.139 2524 R HA -0.217 4.123 4.340 0.000 0.000 0.243 2524 R C 1.276 177.249 176.300 -0.545 0.000 1.145 2524 R CA 1.873 57.750 56.100 -0.371 0.000 0.976 2524 R CB -0.112 29.832 30.300 -0.592 0.000 0.866 2524 R HN 0.347 nan 8.270 nan 0.000 0.449 2525 Y N -0.905 119.392 120.300 -0.004 0.000 2.468 2525 Y HA 0.395 4.945 4.550 0.000 0.000 0.268 2525 Y C 0.751 176.649 175.900 -0.003 0.000 1.177 2525 Y CA 0.308 58.406 58.100 -0.003 0.000 1.265 2525 Y CB 1.076 39.534 38.460 -0.003 0.000 1.103 2525 Y HN 0.286 nan 8.280 nan 0.000 0.522 2526 G N 0.653 109.492 108.800 0.065 0.000 2.362 2526 G HA2 0.040 4.000 3.960 0.000 0.000 0.656 2526 G HA3 0.040 4.000 3.960 0.000 0.000 0.656 2526 G C -3.034 171.894 174.900 0.047 0.000 1.376 2526 G CA -1.411 43.718 45.100 0.048 0.000 0.971 2526 G HN -0.100 nan 8.290 nan 0.000 0.636 2527 P HA 0.334 nan 4.420 nan 0.000 0.274 2527 P C -0.636 176.680 177.300 0.027 0.000 1.256 2527 P CA -0.281 62.834 63.100 0.024 0.000 0.795 2527 P CB 0.851 32.560 31.700 0.015 0.000 1.038 2528 D N 0.654 121.067 120.400 0.022 0.000 2.489 2528 D HA -0.041 4.599 4.640 0.000 0.000 0.237 2528 D C 1.350 177.659 176.300 0.015 0.000 1.212 2528 D CA -0.044 53.967 54.000 0.019 0.000 1.058 2528 D CB -0.533 40.276 40.800 0.015 0.000 1.098 2528 D HN 0.055 nan 8.370 nan 0.000 0.509 2529 V N 3.306 123.230 119.914 0.017 0.000 2.546 2529 V HA -0.227 3.893 4.120 0.000 0.000 0.254 2529 V C 1.915 178.015 176.094 0.010 0.000 1.076 2529 V CA 2.715 65.023 62.300 0.013 0.000 1.087 2529 V CB -0.513 31.319 31.823 0.015 0.000 0.674 2529 V HN 0.643 nan 8.190 nan 0.000 0.470 2530 T N -0.617 113.943 114.554 0.009 0.000 2.978 2530 T HA -0.118 4.232 4.350 0.000 0.000 0.262 2530 T C 1.894 176.598 174.700 0.006 0.000 1.063 2530 T CA 2.053 64.157 62.100 0.006 0.000 1.140 2530 T CB -0.519 68.352 68.868 0.005 0.000 0.886 2530 T HN 0.862 nan 8.240 nan 0.000 0.470 2531 T N 0.942 115.500 114.554 0.007 0.000 2.770 2531 T HA 0.022 4.372 4.350 0.000 0.000 0.263 2531 T C 1.892 176.596 174.700 0.007 0.000 1.039 2531 T CA 0.704 62.807 62.100 0.006 0.000 1.142 2531 T CB -0.710 68.162 68.868 0.006 0.000 0.868 2531 T HN 0.193 nan 8.240 nan 0.000 0.435 2532 L N 2.176 123.404 121.223 0.008 0.000 2.021 2532 L HA -0.059 4.281 4.340 0.000 0.000 0.215 2532 L C 3.057 179.930 176.870 0.006 0.000 1.074 2532 L CA 1.952 56.796 54.840 0.007 0.000 0.760 2532 L CB -1.372 40.692 42.059 0.008 0.000 0.889 2532 L HN 0.462 nan 8.230 nan 0.000 0.433 2533 A N -1.906 120.918 122.820 0.006 0.000 2.014 2533 A HA -0.134 4.186 4.320 0.000 0.000 0.218 2533 A C 2.232 179.818 177.584 0.005 0.000 1.163 2533 A CA 1.944 53.984 52.037 0.005 0.000 0.652 2533 A CB -0.709 18.294 19.000 0.005 0.000 0.808 2533 A HN 0.550 nan 8.150 nan 0.000 0.449 2534 T N -4.306 110.250 114.554 0.005 0.000 2.990 2534 T HA 0.346 4.696 4.350 0.000 0.000 0.249 2534 T C 0.296 174.999 174.700 0.005 0.000 1.039 2534 T CA 0.532 62.635 62.100 0.004 0.000 1.036 2534 T CB 0.011 68.882 68.868 0.004 0.000 0.994 2534 T HN 0.717 nan 8.240 nan 0.000 0.489 2535 V N 3.503 123.421 119.914 0.005 0.000 2.443 2535 V HA 0.594 4.714 4.120 0.000 0.000 0.293 2535 V C -2.917 173.181 176.094 0.006 0.000 1.021 2535 V CA -2.737 59.567 62.300 0.006 0.000 0.848 2535 V CB 2.066 33.892 31.823 0.006 0.000 0.998 2535 V HN 0.065 nan 8.190 nan 0.000 0.424 2536 P HA 0.119 nan 4.420 nan 0.000 0.268 2536 P C 0.723 178.027 177.300 0.007 0.000 1.208 2536 P CA 0.431 63.534 63.100 0.006 0.000 0.777 2536 P CB 1.322 33.026 31.700 0.006 0.000 0.875 2537 A N 2.674 125.499 122.820 0.007 0.000 2.019 2537 A HA -0.146 4.174 4.320 0.000 0.000 0.219 2537 A C 2.046 179.635 177.584 0.009 0.000 1.164 2537 A CA 1.956 53.998 52.037 0.009 0.000 0.644 2537 A CB -1.386 17.619 19.000 0.008 0.000 0.805 2537 A HN 0.653 nan 8.150 nan 0.000 0.449 2538 S N -0.412 115.293 115.700 0.008 0.000 2.562 2538 S HA 0.479 4.949 4.470 0.000 0.000 0.221 2538 S C 0.957 175.563 174.600 0.010 0.000 0.975 2538 S CA 0.228 58.433 58.200 0.008 0.000 0.918 2538 S CB -0.586 62.617 63.200 0.007 0.000 0.772 2538 S HN 0.825 nan 8.310 nan 0.000 0.531 2539 A N 1.460 124.286 122.820 0.010 0.000 2.511 2539 A HA 0.526 4.846 4.320 0.000 0.000 0.242 2539 A C 0.290 177.882 177.584 0.014 0.000 1.069 2539 A CA 0.132 52.175 52.037 0.011 0.000 0.763 2539 A CB 0.081 19.087 19.000 0.009 0.000 1.001 2539 A HN 0.296 nan 8.150 nan 0.000 0.498 2540 T N 1.401 115.964 114.554 0.014 0.000 2.893 2540 T HA 0.732 5.082 4.350 0.000 0.000 0.293 2540 T C -0.213 174.497 174.700 0.017 0.000 1.027 2540 T CA -0.067 62.044 62.100 0.018 0.000 0.988 2540 T CB 1.694 70.573 68.868 0.018 0.000 1.043 2540 T HN 0.963 nan 8.240 nan 0.000 0.461 2541 T N -0.146 114.419 114.554 0.019 0.000 2.838 2541 T HA 0.714 5.064 4.350 0.000 0.000 0.292 2541 T C -0.835 173.877 174.700 0.020 0.000 1.113 2541 T CA -0.884 61.226 62.100 0.016 0.000 1.008 2541 T CB 1.707 70.582 68.868 0.012 0.000 1.259 2541 T HN 0.403 nan 8.240 nan 0.000 0.520 2542 T N 1.067 115.630 114.554 0.016 0.000 2.792 2542 T HA 0.779 5.129 4.350 0.000 0.000 0.280 2542 T C -0.479 174.228 174.700 0.012 0.000 0.990 2542 T CA -0.554 61.557 62.100 0.018 0.000 0.960 2542 T CB 1.185 70.062 68.868 0.016 0.000 0.939 2542 T HN 1.021 nan 8.240 nan 0.000 0.439 2543 A N 2.363 125.189 122.820 0.010 0.000 2.479 2543 A HA 0.924 5.244 4.320 0.000 0.000 0.296 2543 A C -0.529 177.055 177.584 0.001 0.000 1.121 2543 A CA -0.761 51.277 52.037 0.003 0.000 0.743 2543 A CB 1.756 20.753 19.000 -0.004 0.000 1.323 2543 A HN 0.658 nan 8.150 nan 0.000 0.415 2544 S N -0.071 115.628 115.700 -0.002 0.000 2.541 2544 S HA 0.565 5.035 4.470 0.000 0.000 0.280 2544 S C -1.045 173.551 174.600 -0.006 0.000 1.112 2544 S CA -0.452 57.747 58.200 -0.002 0.000 0.925 2544 S CB 1.191 64.392 63.200 0.002 0.000 1.067 2544 S HN 0.553 nan 8.310 nan 0.000 0.479 2545 L N 3.368 124.587 121.223 -0.007 0.000 2.261 2545 L HA 0.572 4.912 4.340 0.000 0.000 0.289 2545 L C -0.216 176.652 176.870 -0.002 0.000 1.059 2545 L CA -0.615 54.220 54.840 -0.007 0.000 0.816 2545 L CB 0.914 42.967 42.059 -0.010 0.000 1.191 2545 L HN 0.459 nan 8.230 nan 0.000 0.431 2546 V N 1.015 120.928 119.914 -0.001 0.000 2.604 2546 V HA 0.597 4.717 4.120 0.000 0.000 0.305 2546 V C 0.240 176.335 176.094 0.001 0.000 1.043 2546 V CA -0.451 61.849 62.300 0.001 0.000 0.888 2546 V CB 1.984 33.807 31.823 0.001 0.000 0.995 2546 V HN 0.743 nan 8.190 nan 0.000 0.429 2547 T N 3.192 117.747 114.554 0.001 0.000 2.919 2547 T HA 0.430 4.780 4.350 0.000 0.000 0.302 2547 T C 0.632 175.333 174.700 0.001 0.000 1.031 2547 T CA -0.358 61.743 62.100 0.001 0.000 1.127 2547 T CB 1.143 70.011 68.868 0.001 0.000 0.952 2547 T HN 0.789 nan 8.240 nan 0.000 0.540 2548 R N 0.568 121.069 120.500 0.001 0.000 2.312 2548 R HA 0.205 4.545 4.340 0.000 0.000 0.205 2548 R C 0.731 177.031 176.300 0.001 0.000 0.904 2548 R CA 0.195 56.296 56.100 0.001 0.000 1.052 2548 R CB 0.207 30.508 30.300 0.002 0.000 1.014 2548 R HN 0.930 nan 8.270 nan 0.000 0.503 2549 E N -1.883 118.317 120.200 0.000 0.000 2.445 2549 E HA 0.616 4.966 4.350 0.000 0.000 0.279 2549 E C -1.430 175.169 176.600 -0.002 0.000 1.018 2549 E CA -1.232 55.167 56.400 -0.001 0.000 0.816 2549 E CB 0.993 30.692 29.700 -0.001 0.000 1.356 2549 E HN -0.074 nan 8.360 nan 0.000 0.462 2550 A N 0.154 122.973 122.820 -0.003 0.000 2.322 2550 A HA 0.828 5.149 4.320 0.000 0.000 0.269 2550 A C 0.380 177.961 177.584 -0.005 0.000 1.094 2550 A CA 0.513 52.548 52.037 -0.003 0.000 0.807 2550 A CB 0.683 19.680 19.000 -0.004 0.000 1.047 2550 A HN 0.960 nan 8.150 nan 0.000 0.487 2551 G N -1.242 107.555 108.800 -0.005 0.000 2.335 2551 G HA2 0.478 4.438 3.960 0.000 0.000 0.291 2551 G HA3 0.478 4.438 3.960 0.000 0.000 0.291 2551 G C -1.658 173.238 174.900 -0.007 0.000 1.261 2551 G CA -0.057 45.039 45.100 -0.007 0.000 0.871 2551 G HN 1.158 nan 8.290 nan 0.000 0.491 2552 V N 0.226 120.134 119.914 -0.011 0.000 2.459 2552 V HA 0.650 4.770 4.120 0.000 0.000 0.295 2552 V C 0.173 176.257 176.094 -0.016 0.000 1.029 2552 V CA -0.747 61.544 62.300 -0.014 0.000 0.874 2552 V CB 1.328 33.139 31.823 -0.020 0.000 0.985 2552 V HN 0.950 nan 8.190 nan 0.000 0.438 2553 V N 5.023 124.932 119.914 -0.010 0.000 2.509 2553 V HA 0.931 5.051 4.120 0.000 0.000 0.284 2553 V C 0.138 176.232 176.094 0.001 0.000 1.047 2553 V CA 0.215 62.514 62.300 -0.002 0.000 0.952 2553 V CB 1.278 33.105 31.823 0.007 0.000 0.988 2553 V HN 1.188 nan 8.190 nan 0.000 0.469 2554 A N 4.231 127.059 122.820 0.014 0.000 2.549 2554 A HA 0.776 5.096 4.320 0.000 0.000 0.297 2554 A C 0.439 178.083 177.584 0.100 0.000 1.061 2554 A CA -0.011 52.053 52.037 0.045 0.000 0.690 2554 A CB 1.556 20.542 19.000 -0.024 0.000 1.287 2554 A HN 2.384 nan 8.150 nan 0.000 0.402 2555 G N 0.052 108.965 108.800 0.189 0.000 2.131 2555 G HA2 -0.082 3.878 3.960 0.000 0.000 0.223 2555 G HA3 -0.082 3.878 3.960 0.000 0.000 0.223 2555 G C 0.482 175.416 174.900 0.056 0.000 0.990 2555 G CA 0.347 45.529 45.100 0.135 0.000 0.671 2555 G HN 0.992 nan 8.290 nan 0.000 0.521 2556 L N 1.089 122.344 121.223 0.054 0.000 2.083 2556 L HA 0.077 4.417 4.340 0.000 0.000 0.209 2556 L C 2.382 179.251 176.870 -0.002 0.000 1.083 2556 L CA 2.306 57.158 54.840 0.020 0.000 0.752 2556 L CB -0.587 41.488 42.059 0.026 0.000 0.899 2556 L HN 0.319 nan 8.230 nan 0.000 0.433 2557 D N -0.886 119.511 120.400 -0.005 0.000 2.178 2557 D HA -0.128 4.512 4.640 0.000 0.000 0.201 2557 D C 2.276 178.547 176.300 -0.049 0.000 0.980 2557 D CA 1.012 54.994 54.000 -0.029 0.000 0.842 2557 D CB 0.099 40.864 40.800 -0.058 0.000 0.948 2557 D HN 0.198 nan 8.370 nan 0.000 0.472 2558 V N 1.418 121.300 119.914 -0.054 0.000 2.626 2558 V HA -0.173 3.947 4.120 0.000 0.000 0.252 2558 V C 2.522 178.583 176.094 -0.055 0.000 1.067 2558 V CA 1.444 63.708 62.300 -0.060 0.000 1.081 2558 V CB -0.592 31.201 31.823 -0.049 0.000 0.686 2558 V HN 0.157 nan 8.190 nan 0.000 0.468 2559 A N 0.033 122.822 122.820 -0.052 0.000 1.873 2559 A HA -0.113 4.207 4.320 0.000 0.000 0.215 2559 A C 2.078 179.588 177.584 -0.124 0.000 1.186 2559 A CA 1.480 53.471 52.037 -0.076 0.000 0.616 2559 A CB -0.507 18.453 19.000 -0.065 0.000 0.823 2559 A HN 0.383 nan 8.150 nan 0.000 0.442 2560 L N -0.091 121.067 121.223 -0.108 0.000 2.046 2560 L HA -0.123 4.218 4.340 0.000 0.000 0.208 2560 L C 2.470 179.297 176.870 -0.071 0.000 1.077 2560 L CA 1.390 56.153 54.840 -0.127 0.000 0.747 2560 L CB -1.210 40.854 42.059 0.009 0.000 0.896 2560 L HN 0.369 nan 8.230 nan 0.000 0.432 2561 L N -1.295 119.904 121.223 -0.039 0.000 2.191 2561 L HA -0.224 4.117 4.340 0.000 0.000 0.212 2561 L C 2.265 179.116 176.870 -0.032 0.000 1.103 2561 L CA 1.303 56.130 54.840 -0.021 0.000 0.769 2561 L CB -0.861 41.175 42.059 -0.038 0.000 0.908 2561 L HN 0.306 nan 8.230 nan 0.000 0.438 2562 T N -0.254 114.261 114.554 -0.064 0.000 2.857 2562 T HA -0.086 4.264 4.350 0.000 0.000 0.266 2562 T C 1.871 176.528 174.700 -0.071 0.000 1.048 2562 T CA 0.729 62.792 62.100 -0.062 0.000 1.139 2562 T CB -0.034 68.794 68.868 -0.067 0.000 0.874 2562 T HN 0.019 nan 8.240 nan 0.000 0.455 2563 L N 2.061 123.195 121.223 -0.149 0.000 2.027 2563 L HA 0.002 4.342 4.340 0.000 0.000 0.206 2563 L C 2.260 179.148 176.870 0.031 0.000 1.074 2563 L CA 1.425 56.152 54.840 -0.188 0.000 0.745 2563 L CB -1.403 40.236 42.059 -0.700 0.000 0.898 2563 L HN 0.182 nan 8.230 nan 0.000 0.433 2564 N N -0.115 118.655 118.700 0.117 0.000 2.061 2564 N HA -0.248 4.492 4.740 0.000 0.000 0.193 2564 N C 1.881 177.441 175.510 0.083 0.000 1.030 2564 N CA 1.355 54.511 53.050 0.176 0.000 0.856 2564 N CB -0.181 38.384 38.487 0.129 0.000 1.023 2564 N HN 0.328 nan 8.380 nan 0.000 0.424 2565 E N 0.277 120.500 120.200 0.038 0.000 2.153 2565 E HA -0.038 4.313 4.350 0.000 0.000 0.194 2565 E C 1.669 178.281 176.600 0.020 0.000 0.988 2565 E CA 0.594 57.005 56.400 0.019 0.000 0.811 2565 E CB 0.085 29.785 29.700 0.001 0.000 0.746 2565 E HN 0.127 nan 8.360 nan 0.000 0.466 2566 V N -0.442 119.484 119.914 0.021 0.000 2.581 2566 V HA 0.004 4.124 4.120 0.000 0.000 0.240 2566 V C 2.001 178.118 176.094 0.038 0.000 1.054 2566 V CA 0.942 63.253 62.300 0.019 0.000 1.076 2566 V CB -0.089 31.735 31.823 0.003 0.000 0.748 2566 V HN 0.232 nan 8.190 nan 0.000 0.474 2567 L N -0.099 121.166 121.223 0.071 0.000 2.463 2567 L HA 0.519 4.860 4.340 0.000 0.000 0.219 2567 L C 1.004 177.930 176.870 0.093 0.000 1.088 2567 L CA 0.773 55.672 54.840 0.098 0.000 0.849 2567 L CB -0.051 42.112 42.059 0.172 0.000 1.012 2567 L HN 0.510 nan 8.230 nan 0.000 0.468 2568 G N -0.389 108.470 108.800 0.098 0.000 2.788 2568 G HA2 -0.206 3.754 3.960 0.000 0.000 0.686 2568 G HA3 -0.206 3.754 3.960 0.000 0.000 0.686 2568 G C 0.375 175.318 174.900 0.070 0.000 1.147 2568 G CA -0.315 44.822 45.100 0.062 0.000 0.755 2568 G HN -0.025 nan 8.290 nan 0.000 0.634 2569 T N 0.718 115.294 114.554 0.035 0.000 2.718 2569 T HA -0.228 4.122 4.350 0.000 0.000 0.266 2569 T C 1.617 176.194 174.700 -0.206 0.000 1.033 2569 T CA 2.198 64.289 62.100 -0.015 0.000 1.151 2569 T CB -0.180 68.674 68.868 -0.024 0.000 0.853 2569 T HN 0.585 nan 8.240 nan 0.000 0.466 2570 N N 0.313 118.910 118.700 -0.171 0.000 2.389 2570 N HA 0.320 5.060 4.740 0.000 0.000 0.260 2570 N C 1.052 176.444 175.510 -0.197 0.000 1.191 2570 N CA -0.059 52.844 53.050 -0.244 0.000 0.885 2570 N CB 0.537 38.940 38.487 -0.139 0.000 1.162 2570 N HN 0.422 nan 8.380 nan 0.000 0.512 2571 G N -0.478 108.230 108.800 -0.153 0.000 3.088 2571 G HA2 0.120 4.080 3.960 0.000 0.000 0.217 2571 G HA3 0.120 4.080 3.960 0.000 0.000 0.217 2571 G C -0.134 174.823 174.900 0.094 0.000 1.159 2571 G CA 0.177 45.283 45.100 0.011 0.000 0.760 2571 G HN 0.362 nan 8.290 nan 0.000 0.550 2572 Y N -2.506 117.793 120.300 -0.002 0.000 2.670 2572 Y HA 0.786 5.336 4.550 0.000 0.000 0.334 2572 Y C -0.828 175.071 175.900 -0.001 0.000 1.185 2572 Y CA -2.255 55.844 58.100 -0.002 0.000 1.053 2572 Y CB 1.175 39.634 38.460 -0.002 0.000 1.298 2572 Y HN -0.102 nan 8.280 nan 0.000 0.459 2573 R N 1.371 121.960 120.500 0.149 0.000 2.532 2573 R HA 0.711 5.052 4.340 0.000 0.000 0.297 2573 R C -2.160 174.238 176.300 0.164 0.000 0.984 2573 R CA -0.858 55.284 56.100 0.069 0.000 0.884 2573 R CB 2.057 32.370 30.300 0.022 0.000 1.182 2573 R HN 0.749 nan 8.270 nan 0.000 0.442 2574 V N 6.894 126.901 119.914 0.154 0.000 2.389 2574 V HA 0.078 4.198 4.120 0.000 0.000 0.264 2574 V C 0.764 176.900 176.094 0.070 0.000 1.049 2574 V CA -0.215 62.164 62.300 0.131 0.000 0.932 2574 V CB 1.175 33.077 31.823 0.132 0.000 1.011 2574 V HN 0.782 nan 8.190 nan 0.000 0.475 2575 L N 3.182 124.438 121.223 0.056 0.000 2.209 2575 L HA 0.280 4.620 4.340 0.000 0.000 0.207 2575 L C 0.685 177.573 176.870 0.029 0.000 1.094 2575 L CA 1.210 56.072 54.840 0.036 0.000 0.790 2575 L CB -0.469 41.608 42.059 0.030 0.000 0.932 2575 L HN 0.757 nan 8.230 nan 0.000 0.447 2576 D N -1.520 118.899 120.400 0.031 0.000 2.663 2576 D HA 0.502 5.142 4.640 0.000 0.000 0.233 2576 D C -0.989 175.326 176.300 0.025 0.000 1.240 2576 D CA -0.591 53.424 54.000 0.025 0.000 0.774 2576 D CB 1.448 42.260 40.800 0.019 0.000 1.443 2576 D HN 0.085 nan 8.370 nan 0.000 0.441 2577 R N 0.434 120.948 120.500 0.023 0.000 2.692 2577 R HA 0.780 5.120 4.340 0.000 0.000 0.269 2577 R C -1.788 174.524 176.300 0.019 0.000 1.030 2577 R CA -0.964 55.149 56.100 0.021 0.000 0.882 2577 R CB 0.928 31.244 30.300 0.026 0.000 1.250 2577 R HN 0.149 nan 8.270 nan 0.000 0.465 2578 V N 1.127 121.052 119.914 0.018 0.000 2.834 2578 V HA 0.324 4.444 4.120 0.000 0.000 0.313 2578 V C -0.259 175.848 176.094 0.022 0.000 1.060 2578 V CA -0.680 61.630 62.300 0.017 0.000 0.989 2578 V CB 1.903 33.735 31.823 0.014 0.000 1.041 2578 V HN 0.705 nan 8.190 nan 0.000 0.459 2579 E N 1.663 121.876 120.200 0.021 0.000 2.313 2579 E HA 0.259 4.609 4.350 0.000 0.000 0.272 2579 E C -0.799 175.819 176.600 0.030 0.000 1.038 2579 E CA -0.569 55.847 56.400 0.028 0.000 0.863 2579 E CB 0.732 30.447 29.700 0.025 0.000 1.060 2579 E HN 0.533 nan 8.360 nan 0.000 0.402 2580 D N 0.233 120.660 120.400 0.046 0.000 2.493 2580 D HA 0.267 4.907 4.640 0.000 0.000 0.240 2580 D C 1.085 177.394 176.300 0.016 0.000 1.142 2580 D CA 1.454 55.482 54.000 0.048 0.000 0.872 2580 D CB 0.563 41.430 40.800 0.110 0.000 1.173 2580 D HN 0.631 nan 8.370 nan 0.000 0.467 2581 G N 1.197 109.993 108.800 -0.008 0.000 2.163 2581 G HA2 -0.094 3.866 3.960 0.000 0.000 0.213 2581 G HA3 -0.094 3.866 3.960 0.000 0.000 0.213 2581 G C 0.367 175.260 174.900 -0.010 0.000 0.991 2581 G CA 0.066 45.153 45.100 -0.022 0.000 0.653 2581 G HN 0.802 nan 8.290 nan 0.000 0.518 2582 A N 0.820 123.639 122.820 -0.002 0.000 2.363 2582 A HA 0.709 5.029 4.320 0.000 0.000 0.270 2582 A C 0.711 178.294 177.584 -0.003 0.000 1.121 2582 A CA -0.283 51.754 52.037 0.000 0.000 0.800 2582 A CB 0.381 19.384 19.000 0.005 0.000 1.052 2582 A HN 0.346 nan 8.150 nan 0.000 0.493 2583 R N 1.694 122.193 120.500 -0.002 0.000 2.265 2583 R HA 0.440 4.780 4.340 0.000 0.000 0.314 2583 R C -1.040 175.260 176.300 -0.001 0.000 1.053 2583 R CA -0.323 55.775 56.100 -0.003 0.000 0.931 2583 R CB 0.746 31.045 30.300 -0.003 0.000 1.024 2583 R HN 0.368 nan 8.270 nan 0.000 0.457 2584 V N 5.857 125.770 119.914 -0.002 0.000 2.588 2584 V HA 0.396 4.517 4.120 0.000 0.000 0.304 2584 V C -1.945 174.148 176.094 -0.001 0.000 1.042 2584 V CA -1.941 60.358 62.300 -0.000 0.000 0.877 2584 V CB 2.812 34.635 31.823 0.000 0.000 0.996 2584 V HN 0.669 nan 8.190 nan 0.000 0.425 2585 P HA 0.397 nan 4.420 nan 0.000 0.279 2585 P C -2.484 174.816 177.300 -0.001 0.000 1.276 2585 P CA -1.555 61.545 63.100 -0.001 0.000 0.801 2585 P CB 0.920 32.620 31.700 -0.001 0.000 1.127 2586 P HA -0.191 nan 4.420 nan 0.000 0.207 2586 P C 1.439 178.739 177.300 0.000 0.000 0.954 2586 P CA 2.198 65.298 63.100 -0.000 0.000 0.990 2586 P CB -0.806 30.893 31.700 -0.001 0.000 0.721 2587 G N -0.894 107.907 108.800 0.001 0.000 3.028 2587 G HA2 -0.098 3.862 3.960 0.000 0.000 0.205 2587 G HA3 -0.098 3.862 3.960 0.000 0.000 0.205 2587 G C 0.272 175.173 174.900 0.002 0.000 1.182 2587 G CA -0.019 45.082 45.100 0.001 0.000 0.860 2587 G HN 0.239 nan 8.290 nan 0.000 0.507 2588 E N 0.719 120.920 120.200 0.002 0.000 2.452 2588 E HA 0.386 4.736 4.350 0.000 0.000 0.261 2588 E C 0.301 176.903 176.600 0.003 0.000 0.987 2588 E CA 0.019 56.420 56.400 0.003 0.000 0.926 2588 E CB 0.659 30.361 29.700 0.003 0.000 0.934 2588 E HN 0.157 nan 8.360 nan 0.000 0.452 2589 A N 5.803 128.625 122.820 0.004 0.000 2.294 2589 A HA 0.274 4.594 4.320 0.000 0.000 0.316 2589 A C 0.794 178.381 177.584 0.006 0.000 1.359 2589 A CA -0.459 51.581 52.037 0.004 0.000 0.956 2589 A CB 0.010 19.013 19.000 0.005 0.000 1.155 2589 A HN 0.808 nan 8.150 nan 0.000 0.544 2590 L N 1.720 122.946 121.223 0.005 0.000 2.156 2590 L HA 0.135 4.475 4.340 0.000 0.000 0.208 2590 L C 1.013 177.888 176.870 0.008 0.000 1.095 2590 L CA 0.928 55.772 54.840 0.007 0.000 0.770 2590 L CB -0.229 41.834 42.059 0.006 0.000 0.914 2590 L HN 0.782 nan 8.230 nan 0.000 0.439 2591 M N -0.816 118.788 119.600 0.006 0.000 2.373 2591 M HA 0.300 4.780 4.480 0.000 0.000 0.290 2591 M C -1.716 174.589 176.300 0.007 0.000 1.143 2591 M CA -0.169 55.136 55.300 0.008 0.000 0.949 2591 M CB 2.339 34.940 32.600 0.003 0.000 1.756 2591 M HN -0.288 nan 8.290 nan 0.000 0.494 2592 T N 5.911 120.473 114.554 0.014 0.000 2.812 2592 T HA 0.745 5.095 4.350 0.000 0.000 0.282 2592 T C -1.010 173.706 174.700 0.028 0.000 0.990 2592 T CA -0.589 61.520 62.100 0.016 0.000 0.960 2592 T CB 0.973 69.850 68.868 0.016 0.000 0.948 2592 T HN 0.566 nan 8.240 nan 0.000 0.438 2593 L N 0.564 121.803 121.223 0.027 0.000 2.327 2593 L HA 0.842 5.183 4.340 0.000 0.000 0.258 2593 L C -0.443 176.459 176.870 0.053 0.000 1.024 2593 L CA -1.132 53.740 54.840 0.054 0.000 0.825 2593 L CB 1.579 43.675 42.059 0.061 0.000 1.386 2593 L HN 0.494 nan 8.230 nan 0.000 0.417 2594 E N 0.418 120.665 120.200 0.079 0.000 2.165 2594 E HA 0.825 5.175 4.350 0.000 0.000 0.266 2594 E C -1.335 175.323 176.600 0.097 0.000 0.889 2594 E CA -0.594 55.845 56.400 0.065 0.000 0.756 2594 E CB 1.644 31.373 29.700 0.049 0.000 1.131 2594 E HN 1.023 nan 8.360 nan 0.000 0.411 2595 A N 3.858 126.725 122.820 0.078 0.000 2.581 2595 A HA 0.281 4.602 4.320 0.000 0.000 0.290 2595 A C -1.250 176.369 177.584 0.058 0.000 1.119 2595 A CA -0.765 51.331 52.037 0.098 0.000 0.670 2595 A CB 1.465 20.542 19.000 0.128 0.000 1.280 2595 A HN 0.621 nan 8.150 nan 0.000 0.425 2596 Q N 0.295 120.129 119.800 0.057 0.000 2.274 2596 Q HA 0.158 4.499 4.340 0.000 0.000 0.280 2596 Q C 0.528 176.543 176.000 0.026 0.000 1.047 2596 Q CA 0.789 56.614 55.803 0.036 0.000 0.907 2596 Q CB 0.550 29.309 28.738 0.036 0.000 1.171 2596 Q HN 0.787 nan 8.270 nan 0.000 0.381 2597 T N 4.510 119.076 114.554 0.019 0.000 2.720 2597 T HA -0.192 4.158 4.350 0.000 0.000 0.268 2597 T C 1.511 176.217 174.700 0.010 0.000 1.037 2597 T CA 1.565 63.673 62.100 0.013 0.000 1.144 2597 T CB -0.023 68.851 68.868 0.011 0.000 0.864 2597 T HN 0.603 nan 8.240 nan 0.000 0.444 2598 R N 0.391 120.898 120.500 0.011 0.000 2.091 2598 R HA -0.048 4.292 4.340 0.000 0.000 0.238 2598 R C 2.911 179.217 176.300 0.009 0.000 1.136 2598 R CA 1.343 57.448 56.100 0.009 0.000 0.959 2598 R CB -0.701 29.605 30.300 0.011 0.000 0.856 2598 R HN 0.475 nan 8.270 nan 0.000 0.437 2599 G N 0.873 109.680 108.800 0.013 0.000 2.402 2599 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 2599 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 2599 G C 1.445 176.343 174.900 -0.003 0.000 1.162 2599 G CA 0.265 45.371 45.100 0.010 0.000 0.777 2599 G HN 0.118 nan 8.290 nan 0.000 0.539 2600 L N -0.347 120.873 121.223 -0.005 0.000 2.017 2600 L HA -0.058 4.282 4.340 0.000 0.000 0.208 2600 L C 2.732 179.592 176.870 -0.016 0.000 1.073 2600 L CA 0.427 55.256 54.840 -0.019 0.000 0.745 2600 L CB -0.334 41.716 42.059 -0.014 0.000 0.894 2600 L HN 0.138 nan 8.230 nan 0.000 0.432 2601 L N -0.691 120.528 121.223 -0.007 0.000 2.191 2601 L HA -0.167 4.173 4.340 0.000 0.000 0.212 2601 L C 2.472 179.340 176.870 -0.004 0.000 1.103 2601 L CA 1.754 56.591 54.840 -0.004 0.000 0.769 2601 L CB -1.166 40.893 42.059 0.000 0.000 0.908 2601 L HN 0.213 nan 8.230 nan 0.000 0.438 2602 T N -1.159 113.393 114.554 -0.003 0.000 2.894 2602 T HA 0.008 4.358 4.350 0.000 0.000 0.258 2602 T C 1.916 176.611 174.700 -0.008 0.000 1.043 2602 T CA 0.997 63.096 62.100 -0.001 0.000 1.141 2602 T CB -0.055 68.814 68.868 0.002 0.000 0.873 2602 T HN 0.364 nan 8.240 nan 0.000 0.449 2603 A N 1.304 124.113 122.820 -0.018 0.000 1.968 2603 A HA -0.025 4.295 4.320 0.000 0.000 0.217 2603 A C 2.067 179.633 177.584 -0.029 0.000 1.169 2603 A CA 1.482 53.502 52.037 -0.029 0.000 0.638 2603 A CB -0.553 18.418 19.000 -0.050 0.000 0.812 2603 A HN 0.566 nan 8.150 nan 0.000 0.446 2604 E N -0.297 119.888 120.200 -0.025 0.000 2.119 2604 E HA -0.377 3.973 4.350 0.000 0.000 0.221 2604 E C 2.241 178.831 176.600 -0.016 0.000 1.062 2604 E CA 2.141 58.528 56.400 -0.021 0.000 0.894 2604 E CB -0.159 29.533 29.700 -0.014 0.000 0.785 2604 E HN 0.396 nan 8.360 nan 0.000 0.472 2605 R N 0.074 120.568 120.500 -0.010 0.000 2.081 2605 R HA -0.069 4.271 4.340 0.000 0.000 0.235 2605 R C 2.287 178.582 176.300 -0.008 0.000 1.131 2605 R CA 2.269 58.365 56.100 -0.006 0.000 0.960 2605 R CB -1.068 29.231 30.300 -0.002 0.000 0.856 2605 R HN 0.227 nan 8.270 nan 0.000 0.436 2606 T N 0.879 115.426 114.554 -0.011 0.000 2.777 2606 T HA -0.136 4.214 4.350 0.000 0.000 0.266 2606 T C 1.737 176.426 174.700 -0.019 0.000 1.040 2606 T CA 1.618 63.708 62.100 -0.015 0.000 1.141 2606 T CB -0.223 68.634 68.868 -0.018 0.000 0.868 2606 T HN 0.338 nan 8.240 nan 0.000 0.444 2607 M N 0.461 120.046 119.600 -0.025 0.000 2.086 2607 M HA -0.069 4.411 4.480 0.000 0.000 0.261 2607 M C 1.716 178.007 176.300 -0.015 0.000 1.067 2607 M CA 1.562 56.844 55.300 -0.030 0.000 1.116 2607 M CB -0.173 32.399 32.600 -0.046 0.000 1.348 2607 M HN 0.109 nan 8.290 nan 0.000 0.407 2608 L N 1.234 122.451 121.223 -0.010 0.000 2.093 2608 L HA -0.142 4.198 4.340 0.000 0.000 0.208 2608 L C 2.114 178.993 176.870 0.014 0.000 1.085 2608 L CA 1.540 56.380 54.840 0.001 0.000 0.755 2608 L CB -1.790 40.269 42.059 -0.001 0.000 0.904 2608 L HN 0.382 nan 8.230 nan 0.000 0.435 2609 N N -0.739 117.967 118.700 0.010 0.000 2.120 2609 N HA -0.155 4.586 4.740 0.000 0.000 0.188 2609 N C 1.770 177.303 175.510 0.038 0.000 1.024 2609 N CA 0.848 53.909 53.050 0.019 0.000 0.852 2609 N CB -0.315 38.171 38.487 -0.002 0.000 1.003 2609 N HN 0.107 nan 8.380 nan 0.000 0.424 2610 L N 0.866 122.102 121.223 0.021 0.000 1.988 2610 L HA -0.041 4.299 4.340 0.000 0.000 0.207 2610 L C 2.380 179.295 176.870 0.075 0.000 1.071 2610 L CA 1.222 56.084 54.840 0.036 0.000 0.744 2610 L CB -1.317 40.744 42.059 0.003 0.000 0.893 2610 L HN 0.122 nan 8.230 nan 0.000 0.433 2611 V N -1.152 118.790 119.914 0.045 0.000 2.515 2611 V HA -0.054 4.066 4.120 0.000 0.000 0.250 2611 V C 2.267 178.391 176.094 0.051 0.000 1.058 2611 V CA 1.751 64.079 62.300 0.047 0.000 1.064 2611 V CB -1.123 30.715 31.823 0.025 0.000 0.675 2611 V HN 0.409 nan 8.190 nan 0.000 0.461 2612 G N -0.895 107.937 108.800 0.053 0.000 2.418 2612 G HA2 -0.322 3.638 3.960 0.000 0.000 0.217 2612 G HA3 -0.322 3.638 3.960 0.000 0.000 0.217 2612 G C 1.407 176.343 174.900 0.060 0.000 1.158 2612 G CA 1.206 46.334 45.100 0.046 0.000 0.771 2612 G HN 0.748 nan 8.290 nan 0.000 0.545 2613 H N 0.580 119.652 119.070 0.004 0.000 2.261 2613 H HA 0.092 4.648 4.556 0.000 0.000 0.301 2613 H C 2.607 177.939 175.328 0.006 0.000 1.067 2613 H CA 1.536 57.586 56.048 0.004 0.000 1.297 2613 H CB -0.342 29.422 29.762 0.003 0.000 1.377 2613 H HN 0.211 nan 8.280 nan 0.000 0.492 2614 L N -0.414 120.853 121.223 0.074 0.000 2.127 2614 L HA -0.195 4.145 4.340 0.000 0.000 0.211 2614 L C 2.524 179.368 176.870 -0.043 0.000 1.089 2614 L CA 1.407 56.257 54.840 0.017 0.000 0.757 2614 L CB -0.476 41.648 42.059 0.109 0.000 0.899 2614 L HN 0.287 nan 8.230 nan 0.000 0.434 2615 S N 0.034 115.720 115.700 -0.024 0.000 2.387 2615 S HA -0.065 4.405 4.470 0.000 0.000 0.226 2615 S C 2.098 176.663 174.600 -0.058 0.000 1.026 2615 S CA 1.010 59.192 58.200 -0.030 0.000 0.972 2615 S CB -0.437 62.759 63.200 -0.008 0.000 0.814 2615 S HN 0.597 nan 8.310 nan 0.000 0.477 2616 G N 1.883 110.633 108.800 -0.084 0.000 2.440 2616 G HA2 -0.180 3.781 3.960 0.000 0.000 0.218 2616 G HA3 -0.180 3.781 3.960 0.000 0.000 0.218 2616 G C 1.325 176.152 174.900 -0.121 0.000 1.154 2616 G CA 0.753 45.794 45.100 -0.099 0.000 0.767 2616 G HN 0.480 nan 8.290 nan 0.000 0.552 2617 I N 1.231 121.691 120.570 -0.184 0.000 2.202 2617 I HA -0.128 4.042 4.170 0.000 0.000 0.242 2617 I C 3.281 179.339 176.117 -0.099 0.000 1.091 2617 I CA 0.936 62.140 61.300 -0.160 0.000 1.368 2617 I CB -0.212 37.676 38.000 -0.187 0.000 1.058 2617 I HN 0.240 nan 8.210 nan 0.000 0.410 2618 A N 0.189 122.953 122.820 -0.094 0.000 1.972 2618 A HA -0.194 4.127 4.320 0.000 0.000 0.219 2618 A C 2.356 179.916 177.584 -0.041 0.000 1.169 2618 A CA 2.372 54.362 52.037 -0.079 0.000 0.635 2618 A CB -0.977 17.972 19.000 -0.086 0.000 0.810 2618 A HN 0.391 nan 8.150 nan 0.000 0.446 2619 T N 0.056 114.590 114.554 -0.033 0.000 2.732 2619 T HA 0.055 4.405 4.350 0.000 0.000 0.261 2619 T C 2.302 177.015 174.700 0.022 0.000 1.040 2619 T CA 1.475 63.569 62.100 -0.009 0.000 1.145 2619 T CB -0.453 68.406 68.868 -0.014 0.000 0.866 2619 T HN 0.584 nan 8.240 nan 0.000 0.427 2620 A N 1.457 124.295 122.820 0.030 0.000 1.877 2620 A HA -0.144 4.176 4.320 0.000 0.000 0.216 2620 A C 2.594 180.299 177.584 0.202 0.000 1.186 2620 A CA 2.429 54.532 52.037 0.112 0.000 0.620 2620 A CB -1.381 17.668 19.000 0.082 0.000 0.822 2620 A HN 0.566 nan 8.150 nan 0.000 0.443 2621 T N -1.464 113.140 114.554 0.082 0.000 2.915 2621 T HA 0.071 4.421 4.350 0.000 0.000 0.269 2621 T C 1.787 176.562 174.700 0.125 0.000 1.071 2621 T CA 1.793 63.944 62.100 0.084 0.000 1.132 2621 T CB -0.417 68.430 68.868 -0.036 0.000 0.878 2621 T HN 0.550 nan 8.240 nan 0.000 0.479 2622 A N 0.795 123.661 122.820 0.076 0.000 2.014 2622 A HA 0.489 4.809 4.320 0.000 0.000 0.218 2622 A C 2.758 180.384 177.584 0.070 0.000 1.163 2622 A CA 1.464 53.534 52.037 0.056 0.000 0.652 2622 A CB -1.145 17.868 19.000 0.020 0.000 0.808 2622 A HN 0.745 nan 8.150 nan 0.000 0.449 2623 A N -1.057 121.813 122.820 0.082 0.000 1.898 2623 A HA -0.095 4.225 4.320 0.000 0.000 0.216 2623 A C 1.919 179.502 177.584 -0.002 0.000 1.181 2623 A CA 1.299 53.341 52.037 0.009 0.000 0.620 2623 A CB -0.822 18.153 19.000 -0.041 0.000 0.819 2623 A HN 0.701 nan 8.150 nan 0.000 0.442 2624 W N -0.166 121.120 121.300 -0.023 0.000 2.358 2624 W HA -0.110 4.550 4.660 0.000 0.000 0.303 2624 W C 2.281 178.794 176.519 -0.010 0.000 1.208 2624 W CA 1.480 58.815 57.345 -0.017 0.000 1.274 2624 W CB -0.729 28.715 29.460 -0.026 0.000 1.138 2624 W HN 0.111 nan 8.180 nan 0.000 0.515 2625 V N 0.408 120.453 119.914 0.219 0.000 2.469 2625 V HA -0.291 3.829 4.120 0.000 0.000 0.251 2625 V C 1.760 177.898 176.094 0.072 0.000 1.064 2625 V CA 2.083 64.456 62.300 0.121 0.000 1.066 2625 V CB -0.749 31.121 31.823 0.079 0.000 0.667 2625 V HN 0.107 nan 8.190 nan 0.000 0.461 2626 D N 0.367 120.796 120.400 0.048 0.000 2.103 2626 D HA -0.051 4.589 4.640 0.000 0.000 0.199 2626 D C 2.310 178.610 176.300 -0.001 0.000 0.978 2626 D CA 1.536 55.542 54.000 0.012 0.000 0.829 2626 D CB -0.374 40.420 40.800 -0.011 0.000 0.981 2626 D HN 0.394 nan 8.370 nan 0.000 0.464 2627 A N 0.797 123.602 122.820 -0.026 0.000 1.927 2627 A HA -0.185 4.135 4.320 0.000 0.000 0.220 2627 A C 2.199 179.785 177.584 0.003 0.000 1.185 2627 A CA 2.244 54.249 52.037 -0.053 0.000 0.639 2627 A CB -0.653 18.253 19.000 -0.156 0.000 0.820 2627 A HN 0.273 nan 8.150 nan 0.000 0.451 2628 V N -2.630 117.313 119.914 0.048 0.000 3.444 2628 V HA 0.298 4.418 4.120 0.000 0.000 0.308 2628 V C 0.736 176.855 176.094 0.042 0.000 1.371 2628 V CA 0.111 62.447 62.300 0.061 0.000 1.141 2628 V CB -1.137 30.747 31.823 0.101 0.000 1.037 2628 V HN 0.474 nan 8.190 nan 0.000 0.433 2629 R N 0.886 121.404 120.500 0.030 0.000 2.698 2629 R HA 0.388 4.728 4.340 0.000 0.000 0.266 2629 R C 1.439 177.748 176.300 0.014 0.000 1.026 2629 R CA 1.465 57.577 56.100 0.021 0.000 1.102 2629 R CB 0.124 30.432 30.300 0.013 0.000 0.978 2629 R HN 0.881 nan 8.270 nan 0.000 0.436 2630 G N 1.550 110.356 108.800 0.011 0.000 2.176 2630 G HA2 -0.259 3.701 3.960 0.000 0.000 0.253 2630 G HA3 -0.259 3.701 3.960 0.000 0.000 0.253 2630 G C 0.178 175.082 174.900 0.007 0.000 0.979 2630 G CA 0.460 45.565 45.100 0.007 0.000 0.641 2630 G HN 0.691 nan 8.290 nan 0.000 0.530 2631 T N -0.729 113.831 114.554 0.011 0.000 2.940 2631 T HA 0.572 4.922 4.350 0.000 0.000 0.288 2631 T C 1.432 176.132 174.700 -0.000 0.000 1.045 2631 T CA 0.093 62.198 62.100 0.009 0.000 1.018 2631 T CB 1.418 70.300 68.868 0.023 0.000 1.151 2631 T HN 0.381 nan 8.240 nan 0.000 0.529 2632 K N 0.357 120.748 120.400 -0.015 0.000 2.379 2632 K HA 0.478 4.798 4.320 0.000 0.000 0.194 2632 K C 0.790 177.357 176.600 -0.056 0.000 1.031 2632 K CA -0.171 56.094 56.287 -0.036 0.000 1.037 2632 K CB 0.247 32.715 32.500 -0.053 0.000 0.824 2632 K HN 0.445 nan 8.250 nan 0.000 0.516 2633 A N 1.960 124.757 122.820 -0.038 0.000 2.520 2633 A HA 0.175 4.495 4.320 0.000 0.000 0.235 2633 A C -0.729 176.868 177.584 0.022 0.000 1.065 2633 A CA 0.086 52.103 52.037 -0.035 0.000 0.764 2633 A CB 0.157 19.172 19.000 0.024 0.000 1.002 2633 A HN 0.352 nan 8.150 nan 0.000 0.502 2634 K N 1.203 121.649 120.400 0.077 0.000 2.259 2634 K HA 0.553 4.874 4.320 0.000 0.000 0.252 2634 K C -0.731 175.973 176.600 0.173 0.000 0.936 2634 K CA -0.503 55.877 56.287 0.155 0.000 0.810 2634 K CB 1.721 34.372 32.500 0.251 0.000 1.143 2634 K HN 0.517 nan 8.250 nan 0.000 0.427 2635 I N 3.131 123.757 120.570 0.094 0.000 2.395 2635 I HA 0.319 4.489 4.170 0.000 0.000 0.289 2635 I C 0.188 176.281 176.117 -0.040 0.000 1.023 2635 I CA -0.277 61.038 61.300 0.025 0.000 1.350 2635 I CB 0.735 38.747 38.000 0.021 0.000 1.409 2635 I HN 0.481 nan 8.210 nan 0.000 0.507 2636 R N 3.694 124.131 120.500 -0.104 0.000 2.807 2636 R HA 0.417 4.758 4.340 0.000 0.000 0.276 2636 R C -0.865 175.350 176.300 -0.142 0.000 0.979 2636 R CA -0.870 55.143 56.100 -0.145 0.000 0.928 2636 R CB 2.233 32.379 30.300 -0.256 0.000 1.191 2636 R HN 0.594 nan 8.270 nan 0.000 0.471 2637 D N -0.125 120.220 120.400 -0.093 0.000 2.511 2637 D HA 0.356 4.996 4.640 0.000 0.000 0.276 2637 D C 0.404 176.693 176.300 -0.019 0.000 1.220 2637 D CA -0.330 53.618 54.000 -0.086 0.000 1.077 2637 D CB 0.451 41.207 40.800 -0.073 0.000 1.126 2637 D HN 0.540 nan 8.370 nan 0.000 0.583 2638 T N -4.625 109.911 114.554 -0.031 0.000 2.626 2638 T HA 0.481 4.832 4.350 0.000 0.000 0.279 2638 T C 0.317 174.998 174.700 -0.031 0.000 0.983 2638 T CA -1.028 61.057 62.100 -0.025 0.000 1.059 2638 T CB 1.163 70.023 68.868 -0.013 0.000 1.396 2638 T HN 0.294 nan 8.240 nan 0.000 0.519 2639 R N 0.254 120.732 120.500 -0.037 0.000 2.466 2639 R HA 0.223 4.563 4.340 0.000 0.000 0.279 2639 R C 0.072 176.377 176.300 0.008 0.000 0.976 2639 R CA -0.188 55.899 56.100 -0.022 0.000 1.081 2639 R CB 0.196 30.470 30.300 -0.044 0.000 1.215 2639 R HN 0.404 nan 8.270 nan 0.000 0.546 2640 K N 2.131 122.550 120.400 0.032 0.000 2.333 2640 K HA 0.069 4.389 4.320 0.000 0.000 0.241 2640 K C 0.025 176.677 176.600 0.087 0.000 1.193 2640 K CA 0.127 56.456 56.287 0.071 0.000 1.142 2640 K CB 0.516 33.115 32.500 0.166 0.000 1.731 2640 K HN 0.088 nan 8.250 nan 0.000 0.344 2641 T N -2.062 112.526 114.554 0.058 0.000 2.940 2641 T HA 0.420 4.770 4.350 0.000 0.000 0.288 2641 T C -0.050 174.684 174.700 0.056 0.000 1.045 2641 T CA -1.123 61.015 62.100 0.062 0.000 1.018 2641 T CB 1.342 70.241 68.868 0.052 0.000 1.151 2641 T HN -0.037 nan 8.240 nan 0.000 0.529 2642 L N 2.744 124.001 121.223 0.057 0.000 2.326 2642 L HA 0.416 4.756 4.340 0.000 0.000 0.278 2642 L C -1.989 174.892 176.870 0.018 0.000 1.092 2642 L CA -2.433 52.426 54.840 0.030 0.000 0.810 2642 L CB 0.404 42.467 42.059 0.007 0.000 1.153 2642 L HN 0.588 nan 8.230 nan 0.000 0.439 2643 P HA 0.088 nan 4.420 nan 0.000 0.258 2643 P C 0.767 178.071 177.300 0.008 0.000 1.187 2643 P CA 0.686 63.795 63.100 0.016 0.000 0.767 2643 P CB 0.581 32.288 31.700 0.011 0.000 0.770 2644 G N 2.921 111.733 108.800 0.020 0.000 2.194 2644 G HA2 -0.248 3.712 3.960 0.000 0.000 0.236 2644 G HA3 -0.248 3.712 3.960 0.000 0.000 0.236 2644 G C 0.486 175.374 174.900 -0.021 0.000 0.987 2644 G CA 0.074 45.178 45.100 0.007 0.000 0.635 2644 G HN 0.492 nan 8.290 nan 0.000 0.520 2645 L N -0.014 121.201 121.223 -0.014 0.000 2.858 2645 L HA 0.374 4.714 4.340 0.000 0.000 0.251 2645 L C 2.342 179.212 176.870 0.001 0.000 1.149 2645 L CA 0.401 55.226 54.840 -0.025 0.000 0.955 2645 L CB 0.069 42.109 42.059 -0.031 0.000 1.289 2645 L HN 0.247 nan 8.230 nan 0.000 0.542 2646 R N 1.672 122.188 120.500 0.028 0.000 2.133 2646 R HA -0.278 4.062 4.340 0.000 0.000 0.245 2646 R C 2.235 178.559 176.300 0.039 0.000 1.137 2646 R CA 2.252 58.386 56.100 0.057 0.000 0.947 2646 R CB -0.252 30.108 30.300 0.099 0.000 0.865 2646 R HN 0.338 nan 8.270 nan 0.000 0.437 2647 A N 0.765 123.567 122.820 -0.030 0.000 1.908 2647 A HA -0.142 4.178 4.320 0.000 0.000 0.218 2647 A C 2.269 179.794 177.584 -0.099 0.000 1.181 2647 A CA 1.566 53.510 52.037 -0.154 0.000 0.627 2647 A CB -0.513 18.048 19.000 -0.732 0.000 0.818 2647 A HN 0.401 nan 8.150 nan 0.000 0.445 2648 L N -1.067 120.103 121.223 -0.087 0.000 2.044 2648 L HA -0.222 4.118 4.340 0.000 0.000 0.205 2648 L C 2.918 179.856 176.870 0.114 0.000 1.075 2648 L CA 1.473 56.320 54.840 0.012 0.000 0.747 2648 L CB -0.675 41.377 42.059 -0.013 0.000 0.903 2648 L HN 0.465 nan 8.230 nan 0.000 0.435 2649 Q N -0.006 119.844 119.800 0.084 0.000 2.096 2649 Q HA -0.261 4.079 4.340 0.000 0.000 0.204 2649 Q C 2.225 178.249 176.000 0.040 0.000 0.982 2649 Q CA 1.511 57.359 55.803 0.075 0.000 0.850 2649 Q CB -0.101 28.685 28.738 0.080 0.000 0.901 2649 Q HN 0.228 nan 8.270 nan 0.000 0.422 2650 K N 0.251 120.683 120.400 0.054 0.000 2.057 2650 K HA -0.188 4.132 4.320 0.000 0.000 0.207 2650 K C 1.775 178.400 176.600 0.042 0.000 1.049 2650 K CA 1.188 57.502 56.287 0.045 0.000 0.931 2650 K CB -0.510 32.037 32.500 0.078 0.000 0.714 2650 K HN 0.251 nan 8.250 nan 0.000 0.440 2651 Y N 0.581 120.865 120.300 -0.027 0.000 2.128 2651 Y HA -0.252 4.298 4.550 0.000 0.000 0.284 2651 Y C 1.921 177.806 175.900 -0.025 0.000 1.154 2651 Y CA 1.759 59.841 58.100 -0.029 0.000 1.149 2651 Y CB -0.735 37.694 38.460 -0.052 0.000 0.976 2651 Y HN 0.059 nan 8.280 nan 0.000 0.505 2652 A N 0.156 122.833 122.820 -0.239 0.000 1.902 2652 A HA -0.170 4.150 4.320 0.000 0.000 0.217 2652 A C 2.442 179.887 177.584 -0.231 0.000 1.181 2652 A CA 2.511 54.383 52.037 -0.274 0.000 0.623 2652 A CB -1.706 17.238 19.000 -0.093 0.000 0.818 2652 A HN 0.701 nan 8.150 nan 0.000 0.443 2653 V N -1.168 118.654 119.914 -0.153 0.000 2.427 2653 V HA -0.198 3.922 4.120 0.000 0.000 0.248 2653 V C 2.245 178.258 176.094 -0.135 0.000 1.051 2653 V CA 2.383 64.606 62.300 -0.128 0.000 1.048 2653 V CB -0.847 30.912 31.823 -0.106 0.000 0.666 2653 V HN 0.563 nan 8.190 nan 0.000 0.456 2654 R N 0.063 120.467 120.500 -0.160 0.000 2.081 2654 R HA -0.127 4.213 4.340 0.000 0.000 0.235 2654 R C 2.416 178.609 176.300 -0.179 0.000 1.131 2654 R CA 2.178 58.193 56.100 -0.141 0.000 0.960 2654 R CB -0.693 29.534 30.300 -0.121 0.000 0.856 2654 R HN 0.651 nan 8.270 nan 0.000 0.436 2655 T N -0.728 113.637 114.554 -0.315 0.000 2.803 2655 T HA -0.105 4.245 4.350 0.000 0.000 0.269 2655 T C 1.565 176.176 174.700 -0.148 0.000 1.052 2655 T CA 1.349 63.283 62.100 -0.277 0.000 1.136 2655 T CB -0.273 68.334 68.868 -0.434 0.000 0.864 2655 T HN 0.523 nan 8.240 nan 0.000 0.467 2656 G N -0.156 108.566 108.800 -0.130 0.000 2.744 2656 G HA2 0.353 4.313 3.960 0.000 0.000 0.211 2656 G HA3 0.353 4.313 3.960 0.000 0.000 0.211 2656 G C 1.128 176.004 174.900 -0.040 0.000 1.143 2656 G CA 0.526 45.584 45.100 -0.070 0.000 0.788 2656 G HN 0.773 nan 8.290 nan 0.000 0.534 2657 G N -1.728 107.043 108.800 -0.049 0.000 2.192 2657 G HA2 0.044 4.004 3.960 0.000 0.000 0.193 2657 G HA3 0.044 4.004 3.960 0.000 0.000 0.193 2657 G C 0.678 175.571 174.900 -0.012 0.000 0.999 2657 G CA 0.128 45.215 45.100 -0.020 0.000 0.659 2657 G HN 0.935 nan 8.290 nan 0.000 0.503 2658 G N -0.866 107.915 108.800 -0.031 0.000 2.557 2658 G HA2 0.740 4.700 3.960 0.000 0.000 0.292 2658 G HA3 0.740 4.700 3.960 0.000 0.000 0.292 2658 G C 0.087 174.966 174.900 -0.034 0.000 1.237 2658 G CA 0.174 45.256 45.100 -0.030 0.000 0.978 2658 G HN 1.571 nan 8.290 nan 0.000 0.498 2659 V N -0.920 118.971 119.914 -0.039 0.000 2.604 2659 V HA 0.556 4.677 4.120 0.000 0.000 0.305 2659 V C -0.667 175.390 176.094 -0.063 0.000 1.043 2659 V CA -1.450 60.823 62.300 -0.044 0.000 0.888 2659 V CB 1.678 33.481 31.823 -0.034 0.000 0.995 2659 V HN 0.553 nan 8.190 nan 0.000 0.429 2660 N N 3.308 121.988 118.700 -0.033 0.000 2.518 2660 N HA 0.285 5.025 4.740 0.000 0.000 0.266 2660 N C 0.029 175.549 175.510 0.017 0.000 1.196 2660 N CA 0.159 53.207 53.050 -0.003 0.000 0.947 2660 N CB 0.758 39.262 38.487 0.027 0.000 1.098 2660 N HN 1.041 nan 8.380 nan 0.000 0.450 2661 H N 1.594 120.606 119.070 -0.096 0.000 4.843 2661 H HA 0.335 4.891 4.556 0.000 0.000 0.127 2661 H C -0.040 175.246 175.328 -0.070 0.000 1.386 2661 H CA -0.457 55.520 56.048 -0.118 0.000 1.034 2661 H CB 0.820 30.497 29.762 -0.142 0.000 1.573 2661 H HN 0.266 nan 8.280 nan 0.000 0.331 2662 R N 1.577 121.943 120.500 -0.222 0.000 2.349 2662 R HA 0.163 4.503 4.340 0.000 0.000 0.299 2662 R C 0.593 176.844 176.300 -0.081 0.000 1.027 2662 R CA -0.177 55.799 56.100 -0.207 0.000 0.958 2662 R CB 1.397 31.483 30.300 -0.358 0.000 1.047 2662 R HN 0.509 nan 8.270 nan 0.000 0.468 2663 L N 0.979 122.184 121.223 -0.030 0.000 2.529 2663 L HA 0.219 4.559 4.340 0.000 0.000 0.223 2663 L C 1.094 177.968 176.870 0.006 0.000 1.113 2663 L CA 0.232 55.085 54.840 0.021 0.000 0.861 2663 L CB 0.198 42.287 42.059 0.050 0.000 1.012 2663 L HN 0.848 nan 8.230 nan 0.000 0.461 2664 G N -2.112 106.667 108.800 -0.034 0.000 2.322 2664 G HA2 0.212 4.172 3.960 0.000 0.000 0.295 2664 G HA3 0.212 4.172 3.960 0.000 0.000 0.295 2664 G C -0.457 174.413 174.900 -0.051 0.000 1.369 2664 G CA -0.783 44.297 45.100 -0.034 0.000 0.821 2664 G HN -0.339 nan 8.290 nan 0.000 0.536 2665 L N 0.898 122.096 121.223 -0.041 0.000 2.079 2665 L HA 0.087 4.427 4.340 0.000 0.000 0.210 2665 L C 2.792 179.634 176.870 -0.046 0.000 1.081 2665 L CA 2.868 57.685 54.840 -0.038 0.000 0.752 2665 L CB -0.924 41.120 42.059 -0.026 0.000 0.896 2665 L HN 0.834 nan 8.230 nan 0.000 0.433 2666 G N -2.565 106.205 108.800 -0.050 0.000 3.042 2666 G HA2 -0.087 3.873 3.960 0.000 0.000 0.212 2666 G HA3 -0.087 3.873 3.960 0.000 0.000 0.212 2666 G C 1.088 175.957 174.900 -0.052 0.000 1.166 2666 G CA 0.217 45.286 45.100 -0.052 0.000 0.767 2666 G HN 0.307 nan 8.290 nan 0.000 0.546 2667 D N 0.788 121.156 120.400 -0.054 0.000 2.092 2667 D HA 0.206 4.846 4.640 0.000 0.000 0.193 2667 D C 1.391 177.669 176.300 -0.037 0.000 0.994 2667 D CA 1.808 55.779 54.000 -0.048 0.000 0.828 2667 D CB 0.136 40.903 40.800 -0.054 0.000 0.963 2667 D HN 0.399 nan 8.370 nan 0.000 0.450 2668 A N -1.251 121.545 122.820 -0.040 0.000 2.609 2668 A HA 0.742 5.062 4.320 0.000 0.000 0.291 2668 A C -1.440 176.125 177.584 -0.032 0.000 1.096 2668 A CA -0.343 51.678 52.037 -0.025 0.000 0.684 2668 A CB 1.278 20.274 19.000 -0.005 0.000 1.282 2668 A HN 0.136 nan 8.150 nan 0.000 0.412 2669 A N 0.858 123.663 122.820 -0.025 0.000 2.366 2669 A HA 0.595 4.915 4.320 0.000 0.000 0.272 2669 A C -0.442 177.134 177.584 -0.013 0.000 1.135 2669 A CA -0.194 51.823 52.037 -0.035 0.000 0.804 2669 A CB 0.239 19.216 19.000 -0.038 0.000 1.064 2669 A HN 1.508 nan 8.150 nan 0.000 0.499 2670 L N 4.964 126.183 121.223 -0.007 0.000 2.427 2670 L HA 0.446 4.786 4.340 0.000 0.000 0.264 2670 L C -1.407 175.529 176.870 0.110 0.000 0.989 2670 L CA -0.525 54.336 54.840 0.035 0.000 0.865 2670 L CB 0.712 42.778 42.059 0.010 0.000 1.209 2670 L HN 0.625 nan 8.230 nan 0.000 0.430 2671 I N 5.051 125.690 120.570 0.114 0.000 2.452 2671 I HA 0.185 4.355 4.170 0.000 0.000 0.287 2671 I C 0.583 176.812 176.117 0.187 0.000 1.079 2671 I CA 0.546 61.982 61.300 0.227 0.000 1.387 2671 I CB 0.620 38.691 38.000 0.119 0.000 1.404 2671 I HN 0.493 nan 8.210 nan 0.000 0.522 2672 K N 4.345 124.856 120.400 0.184 0.000 2.303 2672 K HA 0.300 4.620 4.320 0.000 0.000 0.233 2672 K C 0.790 177.316 176.600 -0.123 0.000 1.046 2672 K CA -0.715 55.532 56.287 -0.067 0.000 0.895 2672 K CB 0.969 33.334 32.500 -0.225 0.000 1.220 2672 K HN 0.604 nan 8.250 nan 0.000 0.470 2673 D N 0.717 121.048 120.400 -0.115 0.000 2.116 2673 D HA -0.269 4.371 4.640 0.000 0.000 0.193 2673 D C 0.758 176.989 176.300 -0.114 0.000 0.998 2673 D CA 1.653 55.605 54.000 -0.081 0.000 0.836 2673 D CB -0.456 40.308 40.800 -0.060 0.000 0.951 2673 D HN 0.429 nan 8.370 nan 0.000 0.449 2674 N N 1.006 119.571 118.700 -0.223 0.000 2.104 2674 N HA -0.173 4.567 4.740 0.000 0.000 0.190 2674 N C 1.812 177.255 175.510 -0.113 0.000 1.024 2674 N CA 1.232 54.162 53.050 -0.200 0.000 0.853 2674 N CB -0.591 37.728 38.487 -0.279 0.000 1.008 2674 N HN 0.456 nan 8.380 nan 0.000 0.424 2675 H N 0.985 120.054 119.070 -0.001 0.000 2.326 2675 H HA 0.043 4.599 4.556 0.000 0.000 0.301 2675 H C 2.508 177.838 175.328 0.002 0.000 1.081 2675 H CA 0.498 56.545 56.048 -0.001 0.000 1.334 2675 H CB -0.677 29.084 29.762 -0.003 0.000 1.385 2675 H HN -0.016 nan 8.280 nan 0.000 0.504 2676 V N 1.454 121.431 119.914 0.105 0.000 2.332 2676 V HA -0.275 3.845 4.120 0.000 0.000 0.248 2676 V C 2.800 178.920 176.094 0.043 0.000 1.055 2676 V CA 1.678 64.016 62.300 0.063 0.000 1.038 2676 V CB -1.115 30.732 31.823 0.040 0.000 0.651 2676 V HN 0.500 nan 8.190 nan 0.000 0.450 2677 A N 0.046 122.883 122.820 0.028 0.000 1.858 2677 A HA -0.156 4.164 4.320 0.000 0.000 0.216 2677 A C 2.453 180.053 177.584 0.027 0.000 1.190 2677 A CA 2.321 54.369 52.037 0.019 0.000 0.617 2677 A CB -0.987 18.016 19.000 0.004 0.000 0.827 2677 A HN 0.590 nan 8.150 nan 0.000 0.443 2678 A N -0.373 122.471 122.820 0.039 0.000 1.933 2678 A HA 0.145 4.465 4.320 0.000 0.000 0.218 2678 A C 2.467 180.072 177.584 0.036 0.000 1.175 2678 A CA 2.207 54.268 52.037 0.041 0.000 0.628 2678 A CB -0.943 18.093 19.000 0.061 0.000 0.814 2678 A HN 1.112 nan 8.150 nan 0.000 0.444 2679 A N -2.434 120.412 122.820 0.044 0.000 1.968 2679 A HA 0.357 4.677 4.320 0.000 0.000 0.217 2679 A C 2.111 179.710 177.584 0.025 0.000 1.169 2679 A CA 1.833 53.889 52.037 0.032 0.000 0.638 2679 A CB -0.638 18.384 19.000 0.037 0.000 0.812 2679 A HN 1.805 nan 8.150 nan 0.000 0.446 2680 G N -1.776 107.040 108.800 0.027 0.000 2.659 2680 G HA2 -0.080 3.880 3.960 0.000 0.000 0.202 2680 G HA3 -0.080 3.880 3.960 0.000 0.000 0.202 2680 G C 0.507 175.421 174.900 0.023 0.000 1.186 2680 G CA 0.589 45.701 45.100 0.021 0.000 0.783 2680 G HN 1.876 nan 8.290 nan 0.000 0.521 2681 S N -0.770 114.945 115.700 0.025 0.000 2.651 2681 S HA 0.678 5.148 4.470 0.000 0.000 0.279 2681 S C 1.167 175.786 174.600 0.032 0.000 1.148 2681 S CA 0.397 58.613 58.200 0.027 0.000 0.837 2681 S CB 1.726 64.940 63.200 0.023 0.000 1.138 2681 S HN 1.136 nan 8.310 nan 0.000 0.478 2682 V N 1.187 121.121 119.914 0.034 0.000 2.407 2682 V HA -0.111 4.010 4.120 0.000 0.000 0.248 2682 V C 2.332 178.446 176.094 0.033 0.000 1.055 2682 V CA 1.820 64.143 62.300 0.038 0.000 1.049 2682 V CB -1.269 30.577 31.823 0.038 0.000 0.662 2682 V HN 0.735 nan 8.190 nan 0.000 0.455 2683 V N 0.145 120.075 119.914 0.028 0.000 2.453 2683 V HA -0.172 3.949 4.120 0.000 0.000 0.247 2683 V C 2.330 178.436 176.094 0.020 0.000 1.048 2683 V CA 1.846 64.160 62.300 0.023 0.000 1.049 2683 V CB -0.687 31.148 31.823 0.020 0.000 0.672 2683 V HN 0.489 nan 8.190 nan 0.000 0.457 2684 D N 1.064 121.477 120.400 0.021 0.000 2.087 2684 D HA -0.158 4.482 4.640 0.000 0.000 0.192 2684 D C 2.290 178.601 176.300 0.018 0.000 0.993 2684 D CA 1.898 55.909 54.000 0.018 0.000 0.828 2684 D CB -0.390 40.422 40.800 0.020 0.000 0.968 2684 D HN 0.416 nan 8.370 nan 0.000 0.448 2685 A N 0.885 123.722 122.820 0.028 0.000 1.940 2685 A HA -0.148 4.172 4.320 0.000 0.000 0.219 2685 A C 2.367 179.959 177.584 0.014 0.000 1.176 2685 A CA 0.960 53.014 52.037 0.029 0.000 0.631 2685 A CB -0.830 18.210 19.000 0.066 0.000 0.814 2685 A HN 0.248 nan 8.150 nan 0.000 0.446 2686 L N -1.152 120.082 121.223 0.019 0.000 1.994 2686 L HA -0.186 4.154 4.340 0.000 0.000 0.208 2686 L C 2.860 179.732 176.870 0.004 0.000 1.071 2686 L CA 1.232 56.080 54.840 0.013 0.000 0.745 2686 L CB -0.280 41.789 42.059 0.018 0.000 0.892 2686 L HN 0.284 nan 8.230 nan 0.000 0.431 2687 R N -0.042 120.462 120.500 0.006 0.000 2.073 2687 R HA -0.132 4.208 4.340 0.000 0.000 0.234 2687 R C 2.193 178.491 176.300 -0.004 0.000 1.134 2687 R CA 1.433 57.534 56.100 0.002 0.000 0.952 2687 R CB -1.304 28.998 30.300 0.005 0.000 0.850 2687 R HN 0.456 nan 8.270 nan 0.000 0.433 2688 A N 0.766 123.583 122.820 -0.005 0.000 1.884 2688 A HA -0.181 4.139 4.320 0.000 0.000 0.219 2688 A C 2.506 180.076 177.584 -0.023 0.000 1.197 2688 A CA 2.303 54.333 52.037 -0.013 0.000 0.637 2688 A CB -0.857 18.134 19.000 -0.014 0.000 0.827 2688 A HN 0.133 nan 8.150 nan 0.000 0.450 2689 V N 0.068 119.965 119.914 -0.029 0.000 2.427 2689 V HA -0.213 3.907 4.120 0.000 0.000 0.248 2689 V C 2.655 178.735 176.094 -0.025 0.000 1.051 2689 V CA 1.870 64.147 62.300 -0.038 0.000 1.048 2689 V CB -0.870 30.925 31.823 -0.047 0.000 0.666 2689 V HN 0.444 nan 8.190 nan 0.000 0.456 2690 R N 0.649 121.140 120.500 -0.015 0.000 2.105 2690 R HA -0.108 4.232 4.340 0.000 0.000 0.239 2690 R C 1.949 178.242 176.300 -0.011 0.000 1.135 2690 R CA 1.328 57.423 56.100 -0.010 0.000 0.967 2690 R CB -0.793 29.505 30.300 -0.004 0.000 0.861 2690 R HN 0.631 nan 8.270 nan 0.000 0.442 2691 N N -0.012 118.680 118.700 -0.012 0.000 2.368 2691 N HA -0.002 4.738 4.740 0.000 0.000 0.176 2691 N C 1.632 177.132 175.510 -0.016 0.000 1.021 2691 N CA 0.837 53.880 53.050 -0.012 0.000 0.888 2691 N CB 0.147 38.628 38.487 -0.010 0.000 0.995 2691 N HN 0.135 nan 8.380 nan 0.000 0.437 2692 A N 0.957 123.764 122.820 -0.022 0.000 1.897 2692 A HA 0.245 4.565 4.320 0.000 0.000 0.215 2692 A C 1.266 178.834 177.584 -0.026 0.000 1.181 2692 A CA 1.339 53.361 52.037 -0.026 0.000 0.620 2692 A CB 0.007 18.986 19.000 -0.034 0.000 0.821 2692 A HN 0.234 nan 8.150 nan 0.000 0.443 2693 A N -0.653 122.151 122.820 -0.027 0.000 3.317 2693 A HA 0.559 4.879 4.320 0.000 0.000 0.307 2693 A C -1.549 176.023 177.584 -0.019 0.000 1.003 2693 A CA -0.754 51.268 52.037 -0.025 0.000 0.882 2693 A CB 0.397 19.378 19.000 -0.032 0.000 1.136 2693 A HN 0.201 nan 8.150 nan 0.000 0.488 2694 P HA -0.202 nan 4.420 nan 0.000 0.221 2694 P C 0.563 177.857 177.300 -0.009 0.000 1.145 2694 P CA 1.543 64.637 63.100 -0.010 0.000 0.795 2694 P CB 0.169 31.864 31.700 -0.009 0.000 0.775 2695 D N -1.101 119.292 120.400 -0.011 0.000 2.289 2695 D HA -0.036 4.604 4.640 0.000 0.000 0.207 2695 D C 0.858 177.153 176.300 -0.010 0.000 0.966 2695 D CA 0.059 54.053 54.000 -0.010 0.000 0.868 2695 D CB -0.501 40.291 40.800 -0.012 0.000 0.943 2695 D HN 0.135 nan 8.370 nan 0.000 0.514 2696 L N 1.955 123.171 121.223 -0.013 0.000 2.349 2696 L HA 0.315 4.655 4.340 0.000 0.000 0.275 2696 L C -2.300 174.566 176.870 -0.007 0.000 1.115 2696 L CA -1.843 52.989 54.840 -0.013 0.000 0.820 2696 L CB 0.907 42.953 42.059 -0.022 0.000 1.135 2696 L HN -0.256 nan 8.230 nan 0.000 0.445 2697 P HA 0.109 nan 4.420 nan 0.000 0.271 2697 P C -0.930 176.376 177.300 0.010 0.000 1.220 2697 P CA -0.267 62.839 63.100 0.009 0.000 0.768 2697 P CB 0.443 32.153 31.700 0.017 0.000 0.848 2698 C N 3.869 123.178 119.300 0.014 0.000 2.388 2698 C HA 0.382 4.842 4.460 0.000 0.000 0.362 2698 C C 0.358 175.365 174.990 0.029 0.000 1.266 2698 C CA -0.051 58.976 59.018 0.015 0.000 2.028 2698 C CB -0.315 27.432 27.740 0.012 0.000 2.440 2698 C HN 0.567 nan 8.230 nan 0.000 0.547 2699 E N 1.249 121.469 120.200 0.034 0.000 2.278 2699 E HA 0.497 4.847 4.350 0.000 0.000 0.272 2699 E C -1.518 175.107 176.600 0.041 0.000 0.890 2699 E CA -0.397 56.031 56.400 0.047 0.000 0.770 2699 E CB 2.253 31.998 29.700 0.076 0.000 1.212 2699 E HN 0.411 nan 8.360 nan 0.000 0.415 2700 V N 2.339 122.273 119.914 0.034 0.000 2.531 2700 V HA 0.325 4.445 4.120 0.000 0.000 0.301 2700 V C -0.921 175.182 176.094 0.016 0.000 1.034 2700 V CA -0.508 61.812 62.300 0.033 0.000 0.865 2700 V CB 1.756 33.598 31.823 0.032 0.000 0.995 2700 V HN 0.754 nan 8.190 nan 0.000 0.424 2701 E N 4.846 125.057 120.200 0.018 0.000 2.152 2701 E HA 0.515 4.865 4.350 0.000 0.000 0.285 2701 E C -0.664 175.937 176.600 0.002 0.000 1.043 2701 E CA -0.462 55.935 56.400 -0.004 0.000 0.839 2701 E CB 1.499 31.198 29.700 -0.002 0.000 1.069 2701 E HN 0.814 nan 8.360 nan 0.000 0.399 2702 V N 2.191 122.094 119.914 -0.018 0.000 2.581 2702 V HA 0.429 4.549 4.120 0.000 0.000 0.303 2702 V C -0.122 176.038 176.094 0.110 0.000 1.041 2702 V CA -0.634 61.691 62.300 0.042 0.000 0.907 2702 V CB 1.818 33.680 31.823 0.065 0.000 0.994 2702 V HN 0.736 nan 8.190 nan 0.000 0.442 2703 D N 1.887 122.398 120.400 0.185 0.000 2.479 2703 D HA 0.265 4.905 4.640 0.000 0.000 0.218 2703 D C 0.392 176.871 176.300 0.297 0.000 1.177 2703 D CA 0.577 54.742 54.000 0.274 0.000 0.830 2703 D CB 0.307 41.186 40.800 0.132 0.000 1.014 2703 D HN 0.965 nan 8.370 nan 0.000 0.503 2704 S N -1.478 114.393 115.700 0.286 0.000 2.625 2704 S HA 0.431 4.901 4.470 0.000 0.000 0.271 2704 S C 0.321 174.978 174.600 0.095 0.000 1.161 2704 S CA -0.871 57.352 58.200 0.038 0.000 0.820 2704 S CB 0.827 64.035 63.200 0.013 0.000 1.137 2704 S HN -0.023 nan 8.310 nan 0.000 0.470 2705 L N 0.697 121.865 121.223 -0.092 0.000 2.209 2705 L HA 0.124 4.464 4.340 0.000 0.000 0.207 2705 L C 2.328 179.228 176.870 0.051 0.000 1.094 2705 L CA 1.019 55.858 54.840 -0.001 0.000 0.790 2705 L CB -0.469 41.528 42.059 -0.103 0.000 0.932 2705 L HN 0.723 nan 8.230 nan 0.000 0.447 2706 E N 0.086 120.303 120.200 0.029 0.000 2.058 2706 E HA -0.259 4.092 4.350 0.000 0.000 0.194 2706 E C 2.191 178.822 176.600 0.052 0.000 0.997 2706 E CA 1.248 57.670 56.400 0.037 0.000 0.801 2706 E CB -0.163 29.553 29.700 0.027 0.000 0.746 2706 E HN 0.440 nan 8.360 nan 0.000 0.450 2707 Q N -0.227 119.613 119.800 0.067 0.000 2.124 2707 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 2707 Q C 2.239 178.288 176.000 0.082 0.000 0.977 2707 Q CA 0.985 56.832 55.803 0.073 0.000 0.850 2707 Q CB -0.196 28.593 28.738 0.085 0.000 0.901 2707 Q HN 0.221 nan 8.270 nan 0.000 0.429 2708 L N 1.320 122.613 121.223 0.117 0.000 1.989 2708 L HA -0.237 4.103 4.340 0.000 0.000 0.211 2708 L C 1.514 178.428 176.870 0.073 0.000 1.071 2708 L CA 1.979 56.885 54.840 0.111 0.000 0.749 2708 L CB -0.416 41.745 42.059 0.169 0.000 0.890 2708 L HN 0.114 nan 8.230 nan 0.000 0.431 2709 D N -0.024 120.416 120.400 0.066 0.000 2.123 2709 D HA -0.190 4.450 4.640 0.000 0.000 0.196 2709 D C 2.193 178.518 176.300 0.041 0.000 0.992 2709 D CA 1.580 55.610 54.000 0.050 0.000 0.833 2709 D CB -0.284 40.542 40.800 0.044 0.000 0.954 2709 D HN 0.547 nan 8.370 nan 0.000 0.455 2710 A N 0.641 123.486 122.820 0.042 0.000 1.933 2710 A HA -0.122 4.198 4.320 0.000 0.000 0.218 2710 A C 2.368 179.971 177.584 0.032 0.000 1.175 2710 A CA 1.976 54.033 52.037 0.035 0.000 0.628 2710 A CB -0.460 18.561 19.000 0.035 0.000 0.814 2710 A HN 0.263 nan 8.150 nan 0.000 0.444 2711 V N -3.456 116.479 119.914 0.036 0.000 3.471 2711 V HA 0.167 4.287 4.120 0.000 0.000 0.258 2711 V C 2.012 178.123 176.094 0.027 0.000 1.192 2711 V CA 0.636 62.954 62.300 0.030 0.000 1.116 2711 V CB -0.592 31.250 31.823 0.031 0.000 0.792 2711 V HN 0.380 nan 8.190 nan 0.000 0.459 2712 L N 1.039 122.281 121.223 0.031 0.000 2.013 2712 L HA -0.071 4.269 4.340 0.000 0.000 0.212 2712 L C 0.524 177.407 176.870 0.022 0.000 1.073 2712 L CA 2.630 57.487 54.840 0.027 0.000 0.753 2712 L CB -1.343 40.735 42.059 0.032 0.000 0.890 2712 L HN 0.384 nan 8.230 nan 0.000 0.432 2713 P HA -0.150 nan 4.420 nan 0.000 0.221 2713 P C 0.882 178.192 177.300 0.016 0.000 1.150 2713 P CA 1.099 64.210 63.100 0.018 0.000 0.800 2713 P CB -0.061 31.650 31.700 0.018 0.000 0.787 2714 E N 0.731 120.942 120.200 0.018 0.000 2.409 2714 E HA -0.095 4.255 4.350 0.000 0.000 0.198 2714 E C 0.540 177.148 176.600 0.015 0.000 1.024 2714 E CA 0.320 56.730 56.400 0.016 0.000 0.861 2714 E CB -0.661 29.049 29.700 0.017 0.000 0.788 2714 E HN 0.346 nan 8.360 nan 0.000 0.521 2715 K N 0.652 121.061 120.400 0.016 0.000 3.156 2715 K HA -0.156 4.164 4.320 0.000 0.000 0.266 2715 K C -2.211 174.399 176.600 0.015 0.000 0.966 2715 K CA 0.331 56.627 56.287 0.015 0.000 0.719 2715 K CB -1.330 31.177 32.500 0.013 0.000 1.333 2715 K HN 0.269 nan 8.250 nan 0.000 0.468 2716 P HA -0.055 nan 4.420 nan 0.000 0.271 2716 P C 0.534 177.847 177.300 0.021 0.000 1.238 2716 P CA 0.219 63.330 63.100 0.018 0.000 0.794 2716 P CB 0.654 32.366 31.700 0.020 0.000 0.959 2717 E N -0.601 119.614 120.200 0.024 0.000 2.110 2717 E HA -0.010 4.340 4.350 0.000 0.000 0.193 2717 E C 0.428 177.053 176.600 0.041 0.000 0.988 2717 E CA 1.085 57.504 56.400 0.031 0.000 0.804 2717 E CB -0.089 29.630 29.700 0.032 0.000 0.745 2717 E HN 0.217 nan 8.360 nan 0.000 0.458 2718 L N 0.305 121.552 121.223 0.040 0.000 2.513 2718 L HA 0.422 4.762 4.340 0.000 0.000 0.261 2718 L C -1.600 175.287 176.870 0.029 0.000 0.945 2718 L CA -0.488 54.380 54.840 0.047 0.000 0.848 2718 L CB 1.441 43.534 42.059 0.057 0.000 1.334 2718 L HN -0.079 nan 8.230 nan 0.000 0.407 2719 I N 4.629 125.207 120.570 0.013 0.000 2.433 2719 I HA 0.350 4.520 4.170 0.000 0.000 0.292 2719 I C -0.709 175.379 176.117 -0.047 0.000 1.001 2719 I CA -0.780 60.511 61.300 -0.016 0.000 1.119 2719 I CB 2.236 40.219 38.000 -0.029 0.000 1.289 2719 I HN 0.438 nan 8.210 nan 0.000 0.438 2720 L N 6.887 128.074 121.223 -0.061 0.000 2.257 2720 L HA 0.385 4.725 4.340 0.000 0.000 0.290 2720 L C -0.413 176.326 176.870 -0.218 0.000 1.044 2720 L CA -0.183 54.601 54.840 -0.094 0.000 0.810 2720 L CB 0.921 42.958 42.059 -0.037 0.000 1.193 2720 L HN 0.432 nan 8.230 nan 0.000 0.425 2721 L N 3.845 124.856 121.223 -0.354 0.000 2.334 2721 L HA 0.226 4.566 4.340 0.000 0.000 0.286 2721 L C -0.168 176.422 176.870 -0.467 0.000 1.108 2721 L CA -0.430 53.941 54.840 -0.782 0.000 0.875 2721 L CB 0.292 41.733 42.059 -1.029 0.000 1.246 2721 L HN 0.516 nan 8.230 nan 0.000 0.439 2722 D N 4.684 124.926 120.400 -0.262 0.000 2.338 2722 D HA 0.030 4.670 4.640 0.000 0.000 0.255 2722 D C 0.416 176.786 176.300 0.116 0.000 1.237 2722 D CA 0.172 54.145 54.000 -0.046 0.000 0.883 2722 D CB 0.288 41.088 40.800 0.001 0.000 1.087 2722 D HN 0.416 nan 8.370 nan 0.000 0.485 2723 N N 3.152 121.913 118.700 0.102 0.000 2.727 2723 N HA -0.219 4.521 4.740 0.000 0.000 0.251 2723 N C -1.009 174.698 175.510 0.328 0.000 1.040 2723 N CA 0.475 53.627 53.050 0.169 0.000 0.712 2723 N CB -1.055 37.504 38.487 0.119 0.000 0.912 2723 N HN 0.296 nan 8.380 nan 0.000 0.545 2724 F N 0.934 120.899 119.950 0.025 0.000 2.385 2724 F HA 0.550 5.077 4.527 0.000 0.000 0.336 2724 F C 1.307 177.125 175.800 0.030 0.000 1.100 2724 F CA -1.055 56.928 58.000 -0.028 0.000 1.116 2724 F CB 0.854 39.829 39.000 -0.041 0.000 1.166 2724 F HN 0.157 nan 8.300 nan 0.000 0.511 2725 A N 2.655 125.438 122.820 -0.061 0.000 2.327 2725 A HA 0.371 4.691 4.320 0.000 0.000 0.255 2725 A C 1.121 178.619 177.584 -0.145 0.000 1.099 2725 A CA -0.382 51.610 52.037 -0.075 0.000 0.801 2725 A CB 0.116 18.983 19.000 -0.221 0.000 1.062 2725 A HN 0.660 nan 8.150 nan 0.000 0.496 2726 V N 0.870 120.671 119.914 -0.188 0.000 2.407 2726 V HA -0.232 3.888 4.120 0.000 0.000 0.248 2726 V C 2.284 178.310 176.094 -0.112 0.000 1.055 2726 V CA 2.235 64.325 62.300 -0.351 0.000 1.049 2726 V CB -1.199 30.381 31.823 -0.405 0.000 0.662 2726 V HN 1.059 nan 8.190 nan 0.000 0.455 2727 W N 0.885 122.141 121.300 -0.074 0.000 2.363 2727 W HA -0.204 4.457 4.660 0.000 0.000 0.296 2727 W C 1.811 178.323 176.519 -0.012 0.000 1.212 2727 W CA 1.264 58.584 57.345 -0.042 0.000 1.260 2727 W CB -0.988 28.447 29.460 -0.042 0.000 1.131 2727 W HN 0.293 nan 8.180 nan 0.000 0.530 2728 Q N 0.636 119.924 119.800 -0.852 0.000 2.172 2728 Q HA -0.088 4.252 4.340 0.000 0.000 0.200 2728 Q C 2.310 178.249 176.000 -0.101 0.000 0.964 2728 Q CA 2.255 57.567 55.803 -0.818 0.000 0.855 2728 Q CB -0.341 27.632 28.738 -1.276 0.000 0.918 2728 Q HN 0.194 nan 8.270 nan 0.000 0.444 2729 T N 0.744 115.320 114.554 0.037 0.000 2.777 2729 T HA -0.194 4.156 4.350 0.000 0.000 0.266 2729 T C 1.742 176.499 174.700 0.094 0.000 1.040 2729 T CA 1.410 63.613 62.100 0.172 0.000 1.141 2729 T CB -0.138 68.814 68.868 0.140 0.000 0.868 2729 T HN 0.179 nan 8.240 nan 0.000 0.444 2730 Q N 1.104 120.939 119.800 0.058 0.000 2.084 2730 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 2730 Q C 2.254 178.306 176.000 0.087 0.000 0.978 2730 Q CA 1.901 57.745 55.803 0.068 0.000 0.844 2730 Q CB -0.837 27.951 28.738 0.083 0.000 0.898 2730 Q HN 0.450 nan 8.270 nan 0.000 0.426 2731 T N 0.375 114.995 114.554 0.110 0.000 2.708 2731 T HA -0.143 4.207 4.350 0.000 0.000 0.266 2731 T C 1.770 176.528 174.700 0.097 0.000 1.037 2731 T CA 1.483 63.652 62.100 0.115 0.000 1.146 2731 T CB -0.768 68.178 68.868 0.130 0.000 0.865 2731 T HN 0.484 nan 8.240 nan 0.000 0.435 2732 A N 1.095 123.986 122.820 0.119 0.000 1.927 2732 A HA -0.130 4.190 4.320 0.000 0.000 0.220 2732 A C 2.593 180.221 177.584 0.073 0.000 1.185 2732 A CA 1.869 53.983 52.037 0.128 0.000 0.639 2732 A CB -1.153 17.954 19.000 0.179 0.000 0.820 2732 A HN 0.381 nan 8.150 nan 0.000 0.451 2733 V N -0.647 119.303 119.914 0.061 0.000 2.358 2733 V HA -0.290 3.830 4.120 0.000 0.000 0.246 2733 V C 2.606 178.721 176.094 0.035 0.000 1.047 2733 V CA 2.186 64.507 62.300 0.036 0.000 1.035 2733 V CB -0.937 30.903 31.823 0.029 0.000 0.658 2733 V HN 0.633 nan 8.190 nan 0.000 0.452 2734 Q N -0.185 119.643 119.800 0.046 0.000 2.030 2734 Q HA -0.205 4.135 4.340 0.000 0.000 0.204 2734 Q C 2.544 178.568 176.000 0.039 0.000 0.986 2734 Q CA 1.947 57.775 55.803 0.041 0.000 0.843 2734 Q CB -0.212 28.557 28.738 0.051 0.000 0.904 2734 Q HN 0.566 nan 8.270 nan 0.000 0.420 2735 R N 0.109 120.638 120.500 0.049 0.000 2.073 2735 R HA -0.121 4.219 4.340 0.000 0.000 0.234 2735 R C 2.432 178.753 176.300 0.035 0.000 1.134 2735 R CA 1.126 57.253 56.100 0.044 0.000 0.952 2735 R CB -0.388 29.945 30.300 0.056 0.000 0.850 2735 R HN 0.137 nan 8.270 nan 0.000 0.433 2736 R N 1.611 122.131 120.500 0.033 0.000 2.097 2736 R HA -0.192 4.149 4.340 0.000 0.000 0.236 2736 R C 1.363 177.672 176.300 0.016 0.000 1.135 2736 R CA 2.162 58.276 56.100 0.022 0.000 0.934 2736 R CB -0.784 29.525 30.300 0.015 0.000 0.846 2736 R HN 0.177 nan 8.270 nan 0.000 0.431 2737 D N 0.043 120.452 120.400 0.014 0.000 2.172 2737 D HA -0.148 4.492 4.640 0.000 0.000 0.196 2737 D C 1.894 178.201 176.300 0.012 0.000 0.999 2737 D CA 2.127 56.133 54.000 0.010 0.000 0.856 2737 D CB -0.118 40.688 40.800 0.010 0.000 0.934 2737 D HN 0.484 nan 8.370 nan 0.000 0.453 2738 S N -0.419 115.291 115.700 0.017 0.000 2.421 2738 S HA 0.060 4.531 4.470 0.000 0.000 0.224 2738 S C 1.826 176.435 174.600 0.016 0.000 1.035 2738 S CA 0.102 58.312 58.200 0.016 0.000 0.953 2738 S CB 0.129 63.340 63.200 0.019 0.000 0.810 2738 S HN 0.193 nan 8.310 nan 0.000 0.497 2739 R N 1.212 121.723 120.500 0.018 0.000 2.175 2739 R HA 0.478 4.818 4.340 0.000 0.000 0.202 2739 R C 0.356 176.665 176.300 0.015 0.000 1.018 2739 R CA 0.748 56.859 56.100 0.018 0.000 1.029 2739 R CB 0.256 30.569 30.300 0.022 0.000 0.959 2739 R HN 0.402 nan 8.270 nan 0.000 0.480 2740 A N 1.229 124.058 122.820 0.014 0.000 3.300 2740 A HA 0.352 4.673 4.320 0.000 0.000 0.300 2740 A C -2.331 175.258 177.584 0.008 0.000 1.099 2740 A CA -1.043 51.001 52.037 0.012 0.000 0.846 2740 A CB 0.766 19.775 19.000 0.014 0.000 1.255 2740 A HN -0.100 nan 8.150 nan 0.000 0.519 2741 P HA -0.196 nan 4.420 nan 0.000 0.218 2741 P C 1.644 178.943 177.300 -0.002 0.000 1.146 2741 P CA 2.377 65.478 63.100 0.001 0.000 0.820 2741 P CB 0.096 31.797 31.700 0.002 0.000 0.778 2742 T N -4.442 110.113 114.554 0.002 0.000 3.043 2742 T HA 0.051 4.401 4.350 0.000 0.000 0.263 2742 T C 0.850 175.552 174.700 0.004 0.000 1.094 2742 T CA 0.051 62.153 62.100 0.002 0.000 1.127 2742 T CB -0.877 67.994 68.868 0.006 0.000 0.905 2742 T HN -0.170 nan 8.240 nan 0.000 0.490 2743 V N 3.842 123.759 119.914 0.005 0.000 2.572 2743 V HA 0.205 4.325 4.120 0.000 0.000 0.291 2743 V C 0.619 176.713 176.094 0.001 0.000 1.039 2743 V CA -0.134 62.171 62.300 0.009 0.000 1.055 2743 V CB 0.312 32.141 31.823 0.010 0.000 0.969 2743 V HN 0.473 nan 8.190 nan 0.000 0.482 2744 M N 5.319 124.927 119.600 0.013 0.000 2.314 2744 M HA 0.466 4.946 4.480 0.000 0.000 0.342 2744 M C -0.847 175.460 176.300 0.012 0.000 1.171 2744 M CA -0.586 54.716 55.300 0.003 0.000 1.098 2744 M CB 1.356 33.999 32.600 0.073 0.000 1.559 2744 M HN 0.305 nan 8.290 nan 0.000 0.459 2745 L N 1.816 123.027 121.223 -0.019 0.000 2.365 2745 L HA 0.472 4.812 4.340 0.000 0.000 0.273 2745 L C -0.386 176.494 176.870 0.017 0.000 1.000 2745 L CA -0.254 54.577 54.840 -0.015 0.000 0.819 2745 L CB 1.792 43.830 42.059 -0.036 0.000 1.284 2745 L HN 0.727 nan 8.230 nan 0.000 0.418 2746 E N 1.595 121.810 120.200 0.025 0.000 2.241 2746 E HA 0.516 4.866 4.350 0.000 0.000 0.263 2746 E C -1.334 175.249 176.600 -0.029 0.000 0.882 2746 E CA -0.419 56.017 56.400 0.060 0.000 0.769 2746 E CB 1.442 31.195 29.700 0.089 0.000 1.185 2746 E HN 0.570 nan 8.360 nan 0.000 0.415 2747 S N 2.229 117.920 115.700 -0.015 0.000 2.545 2747 S HA 0.423 4.893 4.470 0.000 0.000 0.275 2747 S C -0.578 173.965 174.600 -0.096 0.000 1.299 2747 S CA -0.435 57.729 58.200 -0.059 0.000 1.048 2747 S CB 1.448 64.652 63.200 0.006 0.000 0.938 2747 S HN 0.425 nan 8.310 nan 0.000 0.496 2748 S N 0.708 116.338 115.700 -0.117 0.000 2.540 2748 S HA 0.753 5.223 4.470 0.000 0.000 0.275 2748 S C 0.464 175.014 174.600 -0.084 0.000 1.123 2748 S CA 0.307 58.449 58.200 -0.097 0.000 0.907 2748 S CB 1.220 64.381 63.200 -0.065 0.000 1.081 2748 S HN 1.175 nan 8.310 nan 0.000 0.476 2749 G N 3.073 111.830 108.800 -0.071 0.000 3.146 2749 G HA2 -0.121 3.839 3.960 0.000 0.000 0.242 2749 G HA3 -0.121 3.839 3.960 0.000 0.000 0.242 2749 G C 0.715 175.596 174.900 -0.032 0.000 1.853 2749 G CA 0.096 45.176 45.100 -0.034 0.000 1.465 2749 G HN 1.504 nan 8.290 nan 0.000 0.537 2750 G N 0.935 109.711 108.800 -0.040 0.000 3.452 2750 G HA2 0.504 4.464 3.960 0.000 0.000 0.258 2750 G HA3 0.504 4.464 3.960 0.000 0.000 0.258 2750 G C -0.075 174.774 174.900 -0.084 0.000 1.305 2750 G CA 0.078 45.172 45.100 -0.009 0.000 1.514 2750 G HN 0.457 nan 8.290 nan 0.000 0.593 2751 L N 1.556 122.720 121.223 -0.098 0.000 2.312 2751 L HA 0.634 4.974 4.340 0.000 0.000 0.281 2751 L C 0.562 177.557 176.870 0.209 0.000 1.070 2751 L CA -0.787 54.032 54.840 -0.036 0.000 0.805 2751 L CB 1.477 43.517 42.059 -0.031 0.000 1.174 2751 L HN 0.243 nan 8.230 nan 0.000 0.434 2752 S N 1.932 117.773 115.700 0.235 0.000 2.588 2752 S HA 0.423 4.893 4.470 0.000 0.000 0.275 2752 S C 0.427 174.956 174.600 -0.117 0.000 1.130 2752 S CA -0.704 57.603 58.200 0.178 0.000 0.855 2752 S CB 1.194 64.444 63.200 0.084 0.000 1.116 2752 S HN 0.389 nan 8.310 nan 0.000 0.472 2753 L N 1.600 122.558 121.223 -0.441 0.000 2.191 2753 L HA -0.040 4.300 4.340 0.000 0.000 0.212 2753 L C 2.556 179.159 176.870 -0.445 0.000 1.103 2753 L CA 1.892 56.162 54.840 -0.950 0.000 0.769 2753 L CB -1.013 40.560 42.059 -0.810 0.000 0.908 2753 L HN 0.827 nan 8.230 nan 0.000 0.438 2754 Q N -1.306 118.368 119.800 -0.211 0.000 2.172 2754 Q HA -0.088 4.252 4.340 0.000 0.000 0.200 2754 Q C 1.902 177.878 176.000 -0.040 0.000 0.964 2754 Q CA 1.766 57.506 55.803 -0.106 0.000 0.855 2754 Q CB -1.252 27.458 28.738 -0.046 0.000 0.918 2754 Q HN 0.670 nan 8.270 nan 0.000 0.444 2755 T N -2.293 112.273 114.554 0.020 0.000 3.057 2755 T HA 0.417 4.767 4.350 0.000 0.000 0.254 2755 T C 1.978 176.817 174.700 0.233 0.000 1.094 2755 T CA 0.495 62.690 62.100 0.159 0.000 1.088 2755 T CB -0.007 69.048 68.868 0.311 0.000 0.934 2755 T HN 0.246 nan 8.240 nan 0.000 0.497 2756 A N 2.387 125.266 122.820 0.100 0.000 1.909 2756 A HA -0.042 4.278 4.320 0.000 0.000 0.221 2756 A C 2.782 180.470 177.584 0.174 0.000 1.223 2756 A CA 2.501 54.631 52.037 0.154 0.000 0.658 2756 A CB -1.551 17.429 19.000 -0.033 0.000 0.831 2756 A HN 0.818 nan 8.150 nan 0.000 0.462 2757 A N -1.837 121.032 122.820 0.081 0.000 1.969 2757 A HA -0.016 4.304 4.320 0.000 0.000 0.218 2757 A C 2.279 179.908 177.584 0.076 0.000 1.169 2757 A CA 2.208 54.284 52.037 0.066 0.000 0.635 2757 A CB -1.129 17.883 19.000 0.019 0.000 0.810 2757 A HN 0.487 nan 8.150 nan 0.000 0.445 2758 T N -1.220 113.382 114.554 0.080 0.000 2.708 2758 T HA -0.145 4.206 4.350 0.000 0.000 0.266 2758 T C 1.727 176.425 174.700 -0.004 0.000 1.037 2758 T CA 1.784 63.894 62.100 0.017 0.000 1.146 2758 T CB -0.445 68.415 68.868 -0.014 0.000 0.865 2758 T HN 0.546 nan 8.240 nan 0.000 0.435 2759 Y N 1.413 121.746 120.300 0.055 0.000 2.181 2759 Y HA 0.022 4.572 4.550 0.000 0.000 0.288 2759 Y C 2.720 178.649 175.900 0.049 0.000 1.146 2759 Y CA 0.744 58.880 58.100 0.061 0.000 1.164 2759 Y CB -0.680 37.828 38.460 0.080 0.000 0.982 2759 Y HN 0.192 nan 8.280 nan 0.000 0.515 2760 A N -0.031 122.910 122.820 0.201 0.000 1.972 2760 A HA -0.210 4.110 4.320 0.000 0.000 0.219 2760 A C 1.930 179.553 177.584 0.064 0.000 1.169 2760 A CA 1.775 53.884 52.037 0.120 0.000 0.635 2760 A CB -0.565 18.499 19.000 0.106 0.000 0.810 2760 A HN 0.523 nan 8.150 nan 0.000 0.446 2761 E N -0.636 119.592 120.200 0.047 0.000 2.418 2761 E HA -0.088 4.262 4.350 0.000 0.000 0.197 2761 E C 1.933 178.541 176.600 0.014 0.000 1.026 2761 E CA 1.042 57.455 56.400 0.022 0.000 0.862 2761 E CB -0.147 29.560 29.700 0.012 0.000 0.799 2761 E HN 0.852 nan 8.360 nan 0.000 0.518 2762 T N -3.233 111.331 114.554 0.017 0.000 3.035 2762 T HA 0.047 4.398 4.350 0.000 0.000 0.268 2762 T C 1.605 176.316 174.700 0.019 0.000 1.109 2762 T CA 0.786 62.895 62.100 0.016 0.000 1.119 2762 T CB 0.245 69.123 68.868 0.015 0.000 0.900 2762 T HN 0.247 nan 8.240 nan 0.000 0.503 2763 G N 0.795 109.605 108.800 0.015 0.000 2.179 2763 G HA2 -0.202 3.758 3.960 0.000 0.000 0.220 2763 G HA3 -0.202 3.758 3.960 0.000 0.000 0.220 2763 G C 0.186 175.074 174.900 -0.019 0.000 0.990 2763 G CA -0.026 45.072 45.100 -0.003 0.000 0.646 2763 G HN 1.415 nan 8.290 nan 0.000 0.517 2764 V N -1.330 118.584 119.914 -0.000 0.000 3.032 2764 V HA 0.300 4.420 4.120 0.000 0.000 0.307 2764 V C 1.223 177.261 176.094 -0.093 0.000 1.097 2764 V CA 0.966 63.251 62.300 -0.024 0.000 1.191 2764 V CB 0.745 32.584 31.823 0.026 0.000 0.964 2764 V HN 0.209 nan 8.190 nan 0.000 0.494 2765 D N 0.668 120.950 120.400 -0.197 0.000 2.271 2765 D HA 0.103 4.743 4.640 0.000 0.000 0.206 2765 D C -0.248 175.691 176.300 -0.601 0.000 0.967 2765 D CA 1.515 55.241 54.000 -0.458 0.000 0.867 2765 D CB 0.267 40.663 40.800 -0.674 0.000 0.960 2765 D HN 0.698 nan 8.370 nan 0.000 0.509 2766 Y N -0.558 119.719 120.300 -0.039 0.000 2.588 2766 Y HA 0.455 5.005 4.550 0.000 0.000 0.343 2766 Y C -0.755 175.115 175.900 -0.050 0.000 1.065 2766 Y CA -1.058 57.008 58.100 -0.057 0.000 1.038 2766 Y CB 1.442 39.834 38.460 -0.114 0.000 1.297 2766 Y HN -0.314 nan 8.280 nan 0.000 0.467 2767 L N 1.991 123.296 121.223 0.137 0.000 2.349 2767 L HA 0.781 5.121 4.340 0.000 0.000 0.278 2767 L C -0.399 176.436 176.870 -0.058 0.000 0.996 2767 L CA -0.794 54.065 54.840 0.033 0.000 0.825 2767 L CB 1.699 43.797 42.059 0.065 0.000 1.243 2767 L HN 0.780 nan 8.230 nan 0.000 0.412 2768 A N 4.297 127.061 122.820 -0.094 0.000 2.316 2768 A HA 0.649 4.969 4.320 0.000 0.000 0.311 2768 A C -0.508 176.956 177.584 -0.199 0.000 1.339 2768 A CA -0.416 51.548 52.037 -0.121 0.000 0.960 2768 A CB 0.171 19.138 19.000 -0.054 0.000 1.152 2768 A HN 0.404 nan 8.150 nan 0.000 0.547 2769 V N 3.910 123.639 119.914 -0.309 0.000 2.277 2769 V HA 0.300 4.420 4.120 0.000 0.000 0.269 2769 V C 1.532 177.406 176.094 -0.367 0.000 1.036 2769 V CA 0.259 62.268 62.300 -0.484 0.000 0.821 2769 V CB 0.490 31.712 31.823 -1.001 0.000 1.052 2769 V HN 1.008 nan 8.190 nan 0.000 0.462 2770 G N 3.538 112.211 108.800 -0.210 0.000 2.450 2770 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 2770 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 2770 G C 1.583 176.112 174.900 -0.618 0.000 1.130 2770 G CA 1.082 46.103 45.100 -0.131 0.000 0.760 2770 G HN 0.822 nan 8.290 nan 0.000 0.557 2771 A N 0.353 122.752 122.820 -0.703 0.000 2.024 2771 A HA 0.031 4.351 4.320 0.000 0.000 0.220 2771 A C 2.261 179.551 177.584 -0.490 0.000 1.164 2771 A CA 1.269 52.848 52.037 -0.764 0.000 0.643 2771 A CB -0.298 18.542 19.000 -0.267 0.000 0.806 2771 A HN 0.302 nan 8.150 nan 0.000 0.451 2772 L N 0.014 120.976 121.223 -0.435 0.000 2.127 2772 L HA -0.129 4.211 4.340 0.000 0.000 0.211 2772 L C 2.683 179.421 176.870 -0.220 0.000 1.089 2772 L CA 2.482 57.142 54.840 -0.300 0.000 0.757 2772 L CB -0.928 40.934 42.059 -0.327 0.000 0.899 2772 L HN 0.701 nan 8.230 nan 0.000 0.434 2773 T N -4.826 109.595 114.554 -0.223 0.000 2.999 2773 T HA 0.106 4.456 4.350 0.000 0.000 0.247 2773 T C 0.673 175.369 174.700 -0.007 0.000 1.012 2773 T CA 0.046 62.093 62.100 -0.089 0.000 1.048 2773 T CB -0.328 68.520 68.868 -0.034 0.000 1.020 2773 T HN 0.416 nan 8.240 nan 0.000 0.478 2774 H N 1.025 120.092 119.070 -0.005 0.000 2.499 2774 H HA 0.716 5.272 4.556 0.000 0.000 0.352 2774 H C 0.223 175.561 175.328 0.018 0.000 1.237 2774 H CA -0.456 55.601 56.048 0.015 0.000 1.343 2774 H CB 0.404 30.167 29.762 0.002 0.000 1.578 2774 H HN 0.021 nan 8.280 nan 0.000 0.577 2775 S N -1.064 114.778 115.700 0.237 0.000 3.628 2775 S HA -0.147 4.323 4.470 0.000 0.000 0.373 2775 S C -0.003 174.613 174.600 0.027 0.000 0.968 2775 S CA 0.556 58.836 58.200 0.133 0.000 1.215 2775 S CB -2.366 60.930 63.200 0.160 0.000 0.912 2775 S HN 1.054 nan 8.310 nan 0.000 0.495 2776 V N -0.558 119.376 119.914 0.033 0.000 2.532 2776 V HA 0.767 4.887 4.120 0.000 0.000 0.295 2776 V C 0.147 176.242 176.094 0.002 0.000 1.041 2776 V CA -1.058 61.225 62.300 -0.029 0.000 0.926 2776 V CB 1.905 33.632 31.823 -0.160 0.000 0.992 2776 V HN 0.486 nan 8.190 nan 0.000 0.457 2777 R N 3.993 124.483 120.500 -0.016 0.000 2.338 2777 R HA 0.638 4.978 4.340 0.000 0.000 0.317 2777 R C -0.911 175.381 176.300 -0.013 0.000 0.968 2777 R CA -0.583 55.520 56.100 0.004 0.000 0.849 2777 R CB 1.847 32.153 30.300 0.010 0.000 1.128 2777 R HN 0.832 nan 8.270 nan 0.000 0.448 2778 V N 5.473 125.394 119.914 0.012 0.000 2.843 2778 V HA 0.061 4.181 4.120 0.000 0.000 0.305 2778 V C -0.201 175.895 176.094 0.003 0.000 1.065 2778 V CA -0.215 62.093 62.300 0.013 0.000 1.116 2778 V CB 1.040 32.891 31.823 0.046 0.000 0.968 2778 V HN 0.642 nan 8.190 nan 0.000 0.487 2779 L N 5.817 127.038 121.223 -0.003 0.000 2.260 2779 L HA 0.423 4.763 4.340 0.000 0.000 0.289 2779 L C -0.094 176.780 176.870 0.007 0.000 1.057 2779 L CA 0.032 54.871 54.840 -0.002 0.000 0.811 2779 L CB 0.948 43.002 42.059 -0.008 0.000 1.184 2779 L HN 0.710 nan 8.230 nan 0.000 0.429 2780 D N 5.671 126.075 120.400 0.006 0.000 2.358 2780 D HA 0.307 4.947 4.640 0.000 0.000 0.258 2780 D C -0.621 175.682 176.300 0.006 0.000 1.223 2780 D CA 0.437 54.442 54.000 0.007 0.000 0.886 2780 D CB 0.245 41.049 40.800 0.006 0.000 1.120 2780 D HN 0.438 nan 8.370 nan 0.000 0.482 2781 I N 2.256 122.830 120.570 0.007 0.000 2.686 2781 I HA 0.574 4.744 4.170 0.000 0.000 0.295 2781 I C 0.569 176.688 176.117 0.003 0.000 1.114 2781 I CA -1.067 60.236 61.300 0.004 0.000 1.038 2781 I CB 2.466 40.469 38.000 0.005 0.000 1.238 2781 I HN 0.362 nan 8.210 nan 0.000 0.420 2782 G N 3.793 112.593 108.800 0.001 0.000 2.533 2782 G HA2 0.661 4.622 3.960 0.000 0.000 0.304 2782 G HA3 0.661 4.622 3.960 0.000 0.000 0.304 2782 G C -1.960 172.938 174.900 -0.004 0.000 1.263 2782 G CA -0.585 44.514 45.100 -0.001 0.000 0.964 2782 G HN 0.382 nan 8.290 nan 0.000 0.479 2783 L N 1.108 122.328 121.223 -0.006 0.000 2.262 2783 L HA 0.521 4.861 4.340 0.000 0.000 0.288 2783 L C -1.135 175.732 176.870 -0.005 0.000 1.035 2783 L CA -0.784 54.051 54.840 -0.008 0.000 0.820 2783 L CB 1.170 43.221 42.059 -0.013 0.000 1.204 2783 L HN 0.256 nan 8.230 nan 0.000 0.424 2784 D N 6.517 126.915 120.400 -0.004 0.000 2.280 2784 D HA 0.469 5.109 4.640 0.000 0.000 0.236 2784 D C -0.090 176.210 176.300 -0.001 0.000 1.082 2784 D CA 0.094 54.093 54.000 -0.001 0.000 0.834 2784 D CB 1.617 42.417 40.800 -0.000 0.000 1.100 2784 D HN 0.524 nan 8.370 nan 0.000 0.486 2785 M N 0.000 119.600 119.600 0.000 0.000 2.572 2785 M HA 0.000 4.480 4.480 0.000 0.000 0.227 2785 M CA 0.000 55.301 55.300 0.002 0.000 0.988 2785 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2785 M HN 0.000 nan 8.290 nan 0.000 0.411