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 3izk_1_L DATA FIRST_RESID 5402 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E 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 5402 V HA 0.000 nan 4.120 nan 0.000 0.244 5402 V C 0.000 176.088 176.094 -0.010 0.000 1.182 5402 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 5402 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 5403 L N 1.837 123.052 121.223 -0.012 0.000 2.352 5403 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 5403 L C -2.290 174.575 176.870 -0.009 0.000 1.034 5403 L CA -1.672 53.161 54.840 -0.010 0.000 0.806 5403 L CB 0.685 42.737 42.059 -0.012 0.000 1.244 5403 L HN 0.139 nan 8.230 nan 0.000 0.447 5404 P HA 0.011 nan 4.420 nan 0.000 0.265 5404 P C -0.656 176.641 177.300 -0.004 0.000 1.193 5404 P CA -0.258 62.840 63.100 -0.003 0.000 0.765 5404 P CB 0.394 32.093 31.700 -0.001 0.000 0.823 5405 E N 2.895 123.093 120.200 -0.004 0.000 2.480 5405 E HA -0.051 4.299 4.350 -0.001 0.000 0.258 5405 E C 0.689 177.289 176.600 -0.001 0.000 0.984 5405 E CA 0.951 57.348 56.400 -0.005 0.000 0.930 5405 E CB -0.319 29.378 29.700 -0.005 0.000 0.936 5405 E HN 0.533 nan 8.360 nan 0.000 0.466 5406 N N 2.102 120.802 118.700 -0.000 0.000 2.879 5406 N HA -0.188 4.551 4.740 -0.001 0.000 0.156 5406 N C -0.657 174.861 175.510 0.014 0.000 1.554 5406 N CA 0.889 53.944 53.050 0.007 0.000 2.252 5406 N CB -1.205 37.288 38.487 0.010 0.000 1.232 5406 N HN 0.542 nan 8.380 nan 0.000 0.861 5407 M N 1.663 121.268 119.600 0.009 0.000 2.249 5407 M HA 0.318 4.798 4.480 -0.001 0.000 0.351 5407 M C -0.763 175.539 176.300 0.004 0.000 1.180 5407 M CA -0.093 55.217 55.300 0.017 0.000 1.127 5407 M CB 0.596 33.201 32.600 0.010 0.000 1.546 5407 M HN -0.045 nan 8.290 nan 0.000 0.461 5408 K N 4.165 124.579 120.400 0.024 0.000 2.267 5408 K HA 0.613 4.933 4.320 -0.001 0.000 0.246 5408 K C -1.005 175.571 176.600 -0.040 0.000 0.954 5408 K CA -0.758 55.505 56.287 -0.039 0.000 0.824 5408 K CB 1.852 34.342 32.500 -0.017 0.000 1.167 5408 K HN 0.674 nan 8.250 nan 0.000 0.431 5409 R N 1.576 121.952 120.500 -0.206 0.000 2.686 5409 R HA 0.446 4.786 4.340 -0.001 0.000 0.286 5409 R C -0.905 175.168 176.300 -0.380 0.000 0.969 5409 R CA -0.753 55.266 56.100 -0.135 0.000 0.898 5409 R CB 1.274 31.534 30.300 -0.067 0.000 1.183 5409 R HN 0.558 nan 8.270 nan 0.000 0.456 5410 Y N 2.422 122.738 120.300 0.026 0.000 2.536 5410 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 5410 Y C 0.583 176.496 175.900 0.022 0.000 1.000 5410 Y CA -0.982 57.134 58.100 0.026 0.000 1.051 5410 Y CB 1.973 40.457 38.460 0.040 0.000 1.259 5410 Y HN 0.362 nan 8.280 nan 0.000 0.468 5411 M N 0.817 120.512 119.600 0.159 0.000 2.520 5411 M HA 0.783 5.263 4.480 -0.001 0.000 0.280 5411 M C 0.025 176.369 176.300 0.073 0.000 1.232 5411 M CA -0.240 55.113 55.300 0.089 0.000 0.892 5411 M CB 1.276 33.902 32.600 0.044 0.000 1.728 5411 M HN 0.892 nan 8.290 nan 0.000 0.475 5412 G N 2.731 111.561 108.800 0.050 0.000 2.561 5412 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.289 5412 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.289 5412 G C 0.672 175.590 174.900 0.031 0.000 1.169 5412 G CA 0.529 45.648 45.100 0.032 0.000 0.980 5412 G HN 0.842 nan 8.290 nan 0.000 0.550 5413 R N 1.081 121.595 120.500 0.023 0.000 2.152 5413 R HA -0.023 4.317 4.340 -0.001 0.000 0.232 5413 R C 2.102 178.421 176.300 0.032 0.000 1.117 5413 R CA 1.785 57.894 56.100 0.015 0.000 0.981 5413 R CB -0.795 29.509 30.300 0.007 0.000 0.870 5413 R HN 0.611 nan 8.270 nan 0.000 0.451 5414 D N 0.495 120.938 120.400 0.071 0.000 2.224 5414 D HA -0.032 4.607 4.640 -0.001 0.000 0.205 5414 D C 1.692 178.058 176.300 0.109 0.000 0.965 5414 D CA 1.158 55.233 54.000 0.125 0.000 0.852 5414 D CB -0.035 40.909 40.800 0.240 0.000 0.947 5414 D HN 0.169 nan 8.370 nan 0.000 0.494 5415 A N 0.657 123.542 122.820 0.108 0.000 1.929 5415 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 5415 A C 2.092 179.694 177.584 0.030 0.000 1.176 5415 A CA 0.992 53.086 52.037 0.094 0.000 0.628 5415 A CB -0.205 18.850 19.000 0.092 0.000 0.816 5415 A HN 0.036 nan 8.150 nan 0.000 0.444 5416 Q N -0.445 119.362 119.800 0.012 0.000 2.016 5416 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 5416 Q C 2.252 178.227 176.000 -0.041 0.000 0.978 5416 Q CA 1.894 57.689 55.803 -0.012 0.000 0.833 5416 Q CB -0.470 28.259 28.738 -0.015 0.000 0.895 5416 Q HN 0.631 nan 8.270 nan 0.000 0.427 5417 R N 0.915 121.385 120.500 -0.051 0.000 2.075 5417 R HA -0.032 4.308 4.340 -0.001 0.000 0.232 5417 R C 2.184 178.387 176.300 -0.161 0.000 1.126 5417 R CA 1.523 57.573 56.100 -0.085 0.000 0.963 5417 R CB -0.617 29.644 30.300 -0.065 0.000 0.858 5417 R HN 0.306 nan 8.270 nan 0.000 0.435 5418 M N 0.295 119.759 119.600 -0.227 0.000 2.082 5418 M HA -0.231 4.248 4.480 -0.001 0.000 0.258 5418 M C 1.019 177.151 176.300 -0.280 0.000 1.069 5418 M CA 2.104 57.189 55.300 -0.359 0.000 1.102 5418 M CB -0.264 32.098 32.600 -0.396 0.000 1.336 5418 M HN 0.178 nan 8.290 nan 0.000 0.404 5419 N N 0.754 119.355 118.700 -0.165 0.000 2.188 5419 N HA -0.101 4.639 4.740 -0.001 0.000 0.184 5419 N C 1.655 177.072 175.510 -0.155 0.000 1.018 5419 N CA 1.364 54.318 53.050 -0.159 0.000 0.858 5419 N CB -0.428 38.040 38.487 -0.032 0.000 0.989 5419 N HN 0.395 nan 8.380 nan 0.000 0.426 5420 I N 0.547 121.048 120.570 -0.115 0.000 2.315 5420 I HA -0.141 4.028 4.170 -0.001 0.000 0.248 5420 I C 1.849 177.897 176.117 -0.114 0.000 1.117 5420 I CA 0.682 61.929 61.300 -0.089 0.000 1.404 5420 I CB -0.829 37.135 38.000 -0.061 0.000 1.071 5420 I HN 0.053 nan 8.210 nan 0.000 0.419 5421 L N 0.997 122.129 121.223 -0.151 0.000 2.093 5421 L HA -0.053 4.286 4.340 -0.001 0.000 0.208 5421 L C 2.722 179.488 176.870 -0.173 0.000 1.085 5421 L CA 1.809 56.557 54.840 -0.153 0.000 0.755 5421 L CB -1.337 40.616 42.059 -0.178 0.000 0.904 5421 L HN 0.167 nan 8.230 nan 0.000 0.435 5422 A N -0.549 122.114 122.820 -0.261 0.000 1.902 5422 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 5422 A C 2.405 179.887 177.584 -0.170 0.000 1.181 5422 A CA 1.700 53.561 52.037 -0.294 0.000 0.623 5422 A CB -1.279 17.355 19.000 -0.610 0.000 0.818 5422 A HN 0.432 nan 8.150 nan 0.000 0.443 5423 G N -0.719 107.996 108.800 -0.141 0.000 2.422 5423 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.218 5423 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.218 5423 G C 1.672 176.530 174.900 -0.069 0.000 1.140 5423 G CA 1.138 46.188 45.100 -0.083 0.000 0.775 5423 G HN 0.520 nan 8.290 nan 0.000 0.545 5424 R N 0.636 121.089 120.500 -0.078 0.000 2.092 5424 R HA 0.109 4.449 4.340 -0.001 0.000 0.231 5424 R C 2.399 178.665 176.300 -0.058 0.000 1.119 5424 R CA 0.984 57.046 56.100 -0.064 0.000 0.970 5424 R CB -0.648 29.613 30.300 -0.065 0.000 0.864 5424 R HN 0.427 nan 8.270 nan 0.000 0.440 5425 I N 0.100 120.631 120.570 -0.066 0.000 2.163 5425 I HA -0.292 3.877 4.170 -0.001 0.000 0.243 5425 I C 1.774 177.866 176.117 -0.041 0.000 1.085 5425 I CA 1.061 62.330 61.300 -0.052 0.000 1.347 5425 I CB -0.282 37.684 38.000 -0.056 0.000 1.044 5425 I HN 0.140 nan 8.210 nan 0.000 0.408 5426 I N 0.901 121.445 120.570 -0.042 0.000 2.233 5426 I HA -0.202 3.967 4.170 -0.001 0.000 0.243 5426 I C 2.873 178.971 176.117 -0.032 0.000 1.093 5426 I CA 1.598 62.879 61.300 -0.031 0.000 1.380 5426 I CB -1.614 36.370 38.000 -0.027 0.000 1.067 5426 I HN 0.167 nan 8.210 nan 0.000 0.413 5427 A N 0.442 123.240 122.820 -0.038 0.000 1.940 5427 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 5427 A C 2.282 179.843 177.584 -0.038 0.000 1.176 5427 A CA 2.097 54.111 52.037 -0.038 0.000 0.631 5427 A CB -0.574 18.401 19.000 -0.043 0.000 0.814 5427 A HN 0.407 nan 8.150 nan 0.000 0.446 5428 E N -0.494 119.684 120.200 -0.038 0.000 2.107 5428 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 5428 E C 2.014 178.595 176.600 -0.031 0.000 0.982 5428 E CA 1.778 58.157 56.400 -0.035 0.000 0.809 5428 E CB -0.513 29.166 29.700 -0.035 0.000 0.756 5428 E HN 0.505 nan 8.360 nan 0.000 0.459 5429 T N 0.113 114.650 114.554 -0.029 0.000 2.746 5429 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 5429 T C 1.880 176.565 174.700 -0.025 0.000 1.039 5429 T CA 1.790 63.875 62.100 -0.025 0.000 1.142 5429 T CB -0.321 68.534 68.868 -0.022 0.000 0.866 5429 T HN 0.267 nan 8.240 nan 0.000 0.444 5430 V N 1.864 121.763 119.914 -0.026 0.000 2.649 5430 V HA 0.014 4.133 4.120 -0.001 0.000 0.248 5430 V C 2.347 178.423 176.094 -0.030 0.000 1.054 5430 V CA 1.308 63.593 62.300 -0.026 0.000 1.073 5430 V CB -0.890 30.918 31.823 -0.025 0.000 0.699 5430 V HN 0.479 nan 8.190 nan 0.000 0.463 5431 R N 2.696 123.176 120.500 -0.033 0.000 2.241 5431 R HA -0.062 4.278 4.340 -0.001 0.000 0.224 5431 R C 2.015 178.293 176.300 -0.037 0.000 1.101 5431 R CA 1.592 57.670 56.100 -0.038 0.000 0.995 5431 R CB -0.985 29.291 30.300 -0.041 0.000 0.870 5431 R HN 0.690 nan 8.270 nan 0.000 0.463 5432 S N 0.032 115.712 115.700 -0.033 0.000 2.522 5432 S HA -0.074 4.396 4.470 -0.001 0.000 0.227 5432 S C 1.692 176.273 174.600 -0.033 0.000 0.986 5432 S CA 0.684 58.864 58.200 -0.033 0.000 0.929 5432 S CB 0.078 63.261 63.200 -0.029 0.000 0.769 5432 S HN 0.551 nan 8.310 nan 0.000 0.529 5433 T N -0.944 113.591 114.554 -0.031 0.000 3.069 5433 T HA 0.353 4.702 4.350 -0.001 0.000 0.252 5433 T C 0.324 175.005 174.700 -0.033 0.000 1.053 5433 T CA -0.521 61.561 62.100 -0.029 0.000 0.964 5433 T CB -0.437 68.418 68.868 -0.023 0.000 1.005 5433 T HN 0.258 nan 8.240 nan 0.000 0.532 5434 L N 2.928 124.128 121.223 -0.038 0.000 2.462 5434 L HA 0.518 4.858 4.340 -0.001 0.000 0.272 5434 L C 0.703 177.542 176.870 -0.052 0.000 1.166 5434 L CA 1.609 56.424 54.840 -0.041 0.000 0.880 5434 L CB -0.751 41.281 42.059 -0.044 0.000 1.142 5434 L HN 0.698 nan 8.230 nan 0.000 0.473 5435 G N 4.399 113.170 108.800 -0.048 0.000 2.663 5435 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.686 5435 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.686 5435 G C -2.066 172.789 174.900 -0.075 0.000 1.288 5435 G CA -0.340 44.719 45.100 -0.068 0.000 0.836 5435 G HN 0.553 nan 8.290 nan 0.000 0.584 5436 P HA 0.004 nan 4.420 nan 0.000 0.222 5436 P C 1.122 178.329 177.300 -0.155 0.000 1.147 5436 P CA 1.229 64.267 63.100 -0.102 0.000 0.790 5436 P CB 0.112 31.726 31.700 -0.145 0.000 0.780 5437 K N -0.210 120.061 120.400 -0.214 0.000 2.372 5437 K HA 0.272 4.591 4.320 -0.001 0.000 0.200 5437 K C 1.172 177.713 176.600 -0.100 0.000 1.022 5437 K CA -0.140 56.047 56.287 -0.167 0.000 1.125 5437 K CB -0.111 32.262 32.500 -0.212 0.000 0.855 5437 K HN 0.067 nan 8.250 nan 0.000 0.524 5438 G N 0.228 108.979 108.800 -0.082 0.000 2.616 5438 G HA2 0.245 4.205 3.960 -0.001 0.000 0.268 5438 G HA3 0.245 4.205 3.960 -0.001 0.000 0.268 5438 G C 0.018 174.893 174.900 -0.041 0.000 1.213 5438 G CA -0.513 44.553 45.100 -0.057 0.000 0.926 5438 G HN -0.069 nan 8.290 nan 0.000 0.523 5439 M N -0.044 119.536 119.600 -0.034 0.000 2.531 5439 M HA 0.401 4.880 4.480 -0.001 0.000 0.262 5439 M C -0.230 176.057 176.300 -0.021 0.000 1.168 5439 M CA -0.677 54.608 55.300 -0.026 0.000 0.926 5439 M CB 1.116 33.701 32.600 -0.025 0.000 1.445 5439 M HN 0.727 nan 8.290 nan 0.000 0.531 5440 D N -0.591 119.799 120.400 -0.018 0.000 2.493 5440 D HA 0.562 5.202 4.640 -0.001 0.000 0.239 5440 D C -1.301 174.989 176.300 -0.017 0.000 1.049 5440 D CA -0.763 53.228 54.000 -0.016 0.000 1.008 5440 D CB 1.271 42.063 40.800 -0.013 0.000 1.398 5440 D HN 0.116 nan 8.370 nan 0.000 0.513 5441 K N 0.344 120.734 120.400 -0.016 0.000 2.259 5441 K HA 0.397 4.716 4.320 -0.001 0.000 0.252 5441 K C -0.950 175.640 176.600 -0.017 0.000 0.936 5441 K CA -0.719 55.558 56.287 -0.016 0.000 0.810 5441 K CB 1.969 34.461 32.500 -0.014 0.000 1.143 5441 K HN 0.677 nan 8.250 nan 0.000 0.427 5442 M N 4.060 123.648 119.600 -0.019 0.000 2.047 5442 M HA 0.253 4.733 4.480 -0.001 0.000 0.342 5442 M C -1.493 174.796 176.300 -0.017 0.000 1.058 5442 M CA -0.972 54.315 55.300 -0.022 0.000 0.991 5442 M CB 0.366 32.951 32.600 -0.026 0.000 1.474 5442 M HN 0.347 nan 8.290 nan 0.000 0.419 5443 L N 6.057 127.270 121.223 -0.015 0.000 2.272 5443 L HA 0.521 4.861 4.340 -0.001 0.000 0.289 5443 L C -0.798 176.066 176.870 -0.011 0.000 1.032 5443 L CA -0.253 54.581 54.840 -0.011 0.000 0.810 5443 L CB 1.669 43.723 42.059 -0.008 0.000 1.205 5443 L HN 0.414 nan 8.230 nan 0.000 0.422 5444 V N 2.815 122.723 119.914 -0.009 0.000 2.407 5444 V HA 0.370 4.489 4.120 -0.001 0.000 0.291 5444 V C -0.351 175.740 176.094 -0.004 0.000 1.018 5444 V CA -0.941 61.354 62.300 -0.009 0.000 0.842 5444 V CB 1.527 33.344 31.823 -0.010 0.000 0.996 5444 V HN 0.806 nan 8.190 nan 0.000 0.426 5445 D N 2.246 122.645 120.400 -0.002 0.000 2.478 5445 D HA 0.093 4.733 4.640 -0.001 0.000 0.269 5445 D C 0.888 177.188 176.300 0.000 0.000 1.232 5445 D CA -0.493 53.507 54.000 -0.000 0.000 1.059 5445 D CB 0.704 41.505 40.800 0.001 0.000 1.104 5445 D HN 0.400 nan 8.370 nan 0.000 0.566 5446 D N -1.741 118.660 120.400 0.001 0.000 2.264 5446 D HA -0.088 4.552 4.640 -0.001 0.000 0.208 5446 D C 1.452 177.753 176.300 0.002 0.000 0.966 5446 D CA 0.622 54.623 54.000 0.002 0.000 0.864 5446 D CB 0.002 40.803 40.800 0.002 0.000 0.933 5446 D HN 0.185 nan 8.370 nan 0.000 0.499 5447 L N -1.003 120.221 121.223 0.003 0.000 2.558 5447 L HA 0.351 4.690 4.340 -0.001 0.000 0.225 5447 L C 1.952 178.824 176.870 0.004 0.000 1.128 5447 L CA 0.910 55.752 54.840 0.004 0.000 0.868 5447 L CB 0.144 42.205 42.059 0.004 0.000 1.006 5447 L HN 0.255 nan 8.230 nan 0.000 0.454 5448 G N -1.320 107.481 108.800 0.003 0.000 2.179 5448 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 5448 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 5448 G C 0.243 175.145 174.900 0.002 0.000 0.990 5448 G CA 0.101 45.202 45.100 0.002 0.000 0.646 5448 G HN 0.322 nan 8.290 nan 0.000 0.517 5449 D N 1.165 121.567 120.400 0.003 0.000 2.382 5449 D HA 0.393 5.033 4.640 -0.001 0.000 0.259 5449 D C 0.416 176.714 176.300 -0.003 0.000 1.224 5449 D CA 0.162 54.165 54.000 0.005 0.000 0.894 5449 D CB 1.097 41.902 40.800 0.008 0.000 1.127 5449 D HN 0.195 nan 8.370 nan 0.000 0.487 5450 V N 4.993 124.901 119.914 -0.009 0.000 2.347 5450 V HA 0.280 4.400 4.120 -0.001 0.000 0.280 5450 V C 0.129 176.206 176.094 -0.029 0.000 1.021 5450 V CA -0.795 61.491 62.300 -0.025 0.000 0.847 5450 V CB 1.580 33.377 31.823 -0.043 0.000 0.990 5450 V HN 0.333 nan 8.190 nan 0.000 0.444 5451 V N 6.043 125.944 119.914 -0.022 0.000 2.378 5451 V HA 0.449 4.569 4.120 -0.001 0.000 0.288 5451 V C -0.221 175.859 176.094 -0.022 0.000 1.016 5451 V CA -0.561 61.729 62.300 -0.016 0.000 0.840 5451 V CB 1.942 33.763 31.823 -0.004 0.000 0.994 5451 V HN 0.589 nan 8.190 nan 0.000 0.431 5452 V N 4.446 124.343 119.914 -0.029 0.000 2.357 5452 V HA 0.769 4.889 4.120 -0.001 0.000 0.284 5452 V C 0.104 176.189 176.094 -0.014 0.000 1.018 5452 V CA 0.019 62.303 62.300 -0.028 0.000 0.841 5452 V CB 1.588 33.385 31.823 -0.044 0.000 0.991 5452 V HN 0.976 nan 8.190 nan 0.000 0.437 5453 T N 2.640 117.188 114.554 -0.011 0.000 2.739 5453 T HA 0.305 4.655 4.350 -0.001 0.000 0.303 5453 T C 0.128 174.824 174.700 -0.007 0.000 1.389 5453 T CA -0.360 61.737 62.100 -0.005 0.000 1.001 5453 T CB 2.058 70.925 68.868 -0.001 0.000 1.436 5453 T HN 0.602 nan 8.240 nan 0.000 0.500 5454 N N 0.325 119.022 118.700 -0.004 0.000 2.210 5454 N HA 0.085 4.825 4.740 -0.001 0.000 0.203 5454 N C -0.780 174.727 175.510 -0.006 0.000 1.175 5454 N CA -0.020 53.027 53.050 -0.006 0.000 0.894 5454 N CB 0.445 38.929 38.487 -0.004 0.000 1.041 5454 N HN 0.552 nan 8.380 nan 0.000 0.506 5455 D N 0.358 120.756 120.400 -0.003 0.000 2.450 5455 D HA 0.093 4.733 4.640 -0.001 0.000 0.247 5455 D C 1.282 177.579 176.300 -0.004 0.000 1.162 5455 D CA 0.174 54.173 54.000 -0.002 0.000 0.879 5455 D CB 1.276 42.076 40.800 0.001 0.000 1.163 5455 D HN 0.290 nan 8.370 nan 0.000 0.472 5456 G N 1.659 110.455 108.800 -0.006 0.000 2.414 5456 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 5456 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 5456 G C 1.496 176.393 174.900 -0.005 0.000 1.188 5456 G CA 0.304 45.400 45.100 -0.008 0.000 0.783 5456 G HN 0.452 nan 8.290 nan 0.000 0.537 5457 V N 0.824 120.736 119.914 -0.003 0.000 2.515 5457 V HA -0.102 4.017 4.120 -0.001 0.000 0.250 5457 V C 2.970 179.064 176.094 0.000 0.000 1.058 5457 V CA 2.740 65.040 62.300 -0.001 0.000 1.064 5457 V CB -0.563 31.261 31.823 0.001 0.000 0.675 5457 V HN 0.401 nan 8.190 nan 0.000 0.461 5458 T N 0.566 115.120 114.554 0.000 0.000 2.777 5458 T HA -0.076 4.273 4.350 -0.001 0.000 0.266 5458 T C 1.752 176.452 174.700 -0.000 0.000 1.040 5458 T CA 1.970 64.071 62.100 0.001 0.000 1.141 5458 T CB -0.257 68.612 68.868 0.001 0.000 0.868 5458 T HN 0.461 nan 8.240 nan 0.000 0.444 5459 I N 0.628 121.196 120.570 -0.002 0.000 2.208 5459 I HA -0.146 4.024 4.170 -0.001 0.000 0.245 5459 I C 1.983 178.099 176.117 -0.002 0.000 1.097 5459 I CA 0.945 62.242 61.300 -0.003 0.000 1.363 5459 I CB -0.266 37.731 38.000 -0.006 0.000 1.051 5459 I HN 0.162 nan 8.210 nan 0.000 0.413 5460 L N 0.173 121.395 121.223 -0.001 0.000 2.217 5460 L HA -0.079 4.260 4.340 -0.001 0.000 0.211 5460 L C 2.459 179.331 176.870 0.004 0.000 1.107 5460 L CA 1.561 56.402 54.840 0.001 0.000 0.783 5460 L CB -0.751 41.308 42.059 0.001 0.000 0.919 5460 L HN 0.104 nan 8.230 nan 0.000 0.442 5461 R N -1.071 119.431 120.500 0.003 0.000 2.100 5461 R HA -0.035 4.305 4.340 -0.001 0.000 0.220 5461 R C 1.962 178.265 176.300 0.004 0.000 1.091 5461 R CA 0.661 56.764 56.100 0.004 0.000 0.986 5461 R CB 0.002 30.304 30.300 0.004 0.000 0.888 5461 R HN 0.273 nan 8.270 nan 0.000 0.444 5462 E N 0.984 121.185 120.200 0.003 0.000 2.086 5462 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 5462 E C 1.283 177.885 176.600 0.002 0.000 0.975 5462 E CA 0.560 56.961 56.400 0.002 0.000 0.813 5462 E CB -0.105 29.596 29.700 0.001 0.000 0.768 5462 E HN 0.333 nan 8.360 nan 0.000 0.457 5463 M N -0.209 119.392 119.600 0.002 0.000 2.184 5463 M HA 0.099 4.578 4.480 -0.001 0.000 0.296 5463 M C 0.518 176.821 176.300 0.005 0.000 1.165 5463 M CA 0.360 55.661 55.300 0.002 0.000 1.175 5463 M CB 0.479 33.079 32.600 0.001 0.000 1.392 5463 M HN -0.239 nan 8.290 nan 0.000 0.457 5464 S N 1.532 117.236 115.700 0.007 0.000 2.466 5464 S HA 0.491 4.960 4.470 -0.001 0.000 0.313 5464 S C -0.895 173.714 174.600 0.015 0.000 1.078 5464 S CA -0.805 57.401 58.200 0.010 0.000 1.115 5464 S CB -0.015 63.191 63.200 0.010 0.000 1.006 5464 S HN 0.508 nan 8.310 nan 0.000 0.487 5465 V N 5.731 125.656 119.914 0.018 0.000 2.439 5465 V HA 0.426 4.545 4.120 -0.001 0.000 0.282 5465 V C 0.610 176.725 176.094 0.035 0.000 1.039 5465 V CA -0.406 61.911 62.300 0.028 0.000 0.913 5465 V CB 1.624 33.463 31.823 0.027 0.000 0.983 5465 V HN 0.793 nan 8.190 nan 0.000 0.460 5466 E N 1.146 121.377 120.200 0.052 0.000 2.228 5466 E HA 0.091 4.441 4.350 -0.001 0.000 0.197 5466 E C 0.722 177.357 176.600 0.058 0.000 0.909 5466 E CA 0.112 56.540 56.400 0.046 0.000 0.911 5466 E CB -0.004 29.722 29.700 0.044 0.000 0.887 5466 E HN 0.693 nan 8.360 nan 0.000 0.481 5467 H N 2.733 121.807 119.070 0.006 0.000 2.803 5467 H HA 0.043 4.599 4.556 -0.001 0.000 0.330 5467 H C -1.713 173.618 175.328 0.005 0.000 1.057 5467 H CA -1.411 54.641 56.048 0.007 0.000 1.458 5467 H CB 1.529 31.290 29.762 -0.001 0.000 1.470 5467 H HN -0.207 nan 8.280 nan 0.000 0.560 5468 P HA -0.147 nan 4.420 nan 0.000 0.216 5468 P C 1.075 178.485 177.300 0.183 0.000 1.150 5468 P CA 2.024 65.159 63.100 0.058 0.000 0.843 5468 P CB 0.118 31.793 31.700 -0.042 0.000 0.787 5469 A N 0.013 123.096 122.820 0.439 0.000 1.877 5469 A HA -0.091 4.229 4.320 -0.001 0.000 0.216 5469 A C 2.329 179.963 177.584 0.082 0.000 1.186 5469 A CA 2.078 54.234 52.037 0.198 0.000 0.620 5469 A CB -1.566 17.460 19.000 0.043 0.000 0.822 5469 A HN 0.201 nan 8.150 nan 0.000 0.443 5470 A N -0.364 122.506 122.820 0.084 0.000 1.969 5470 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 5470 A C 2.078 179.688 177.584 0.043 0.000 1.169 5470 A CA 1.658 53.715 52.037 0.034 0.000 0.635 5470 A CB -0.359 18.657 19.000 0.027 0.000 0.810 5470 A HN 0.542 nan 8.150 nan 0.000 0.445 5471 K N -0.957 119.482 120.400 0.065 0.000 2.097 5471 K HA -0.035 4.285 4.320 -0.001 0.000 0.205 5471 K C 1.856 178.477 176.600 0.035 0.000 1.050 5471 K CA 1.295 57.608 56.287 0.043 0.000 0.938 5471 K CB -0.191 32.334 32.500 0.041 0.000 0.718 5471 K HN 0.347 nan 8.250 nan 0.000 0.442 5472 M N 0.623 120.248 119.600 0.041 0.000 2.288 5472 M HA -0.052 4.428 4.480 -0.001 0.000 0.266 5472 M C 2.168 178.483 176.300 0.024 0.000 1.072 5472 M CA 1.035 56.354 55.300 0.032 0.000 1.132 5472 M CB -0.670 31.953 32.600 0.037 0.000 1.386 5472 M HN 0.200 nan 8.290 nan 0.000 0.432 5473 L N 0.368 121.603 121.223 0.021 0.000 2.046 5473 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 5473 L C 2.224 179.099 176.870 0.009 0.000 1.077 5473 L CA 1.223 56.069 54.840 0.010 0.000 0.747 5473 L CB -0.174 41.885 42.059 0.001 0.000 0.896 5473 L HN 0.156 nan 8.230 nan 0.000 0.432 5474 I N -0.332 120.245 120.570 0.012 0.000 2.208 5474 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 5474 I C 2.468 178.591 176.117 0.010 0.000 1.097 5474 I CA 1.054 62.360 61.300 0.010 0.000 1.363 5474 I CB -0.404 37.603 38.000 0.012 0.000 1.051 5474 I HN 0.310 nan 8.210 nan 0.000 0.413 5475 E N 0.468 120.676 120.200 0.013 0.000 2.118 5475 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 5475 E C 2.419 179.026 176.600 0.011 0.000 0.992 5475 E CA 1.162 57.570 56.400 0.012 0.000 0.804 5475 E CB -0.260 29.449 29.700 0.015 0.000 0.741 5475 E HN 0.367 nan 8.360 nan 0.000 0.458 5476 V N 1.468 121.389 119.914 0.011 0.000 2.358 5476 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 5476 V C 2.461 178.559 176.094 0.006 0.000 1.047 5476 V CA 1.714 64.020 62.300 0.010 0.000 1.035 5476 V CB -0.807 31.022 31.823 0.009 0.000 0.658 5476 V HN 0.239 nan 8.190 nan 0.000 0.452 5477 A N -0.317 122.505 122.820 0.004 0.000 1.933 5477 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 5477 A C 2.284 179.869 177.584 0.003 0.000 1.175 5477 A CA 1.821 53.858 52.037 0.001 0.000 0.628 5477 A CB -0.400 18.600 19.000 -0.000 0.000 0.814 5477 A HN 0.543 nan 8.150 nan 0.000 0.444 5478 K N -0.929 119.474 120.400 0.005 0.000 2.155 5478 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 5478 K C 1.970 178.573 176.600 0.006 0.000 1.052 5478 K CA 1.513 57.803 56.287 0.005 0.000 0.948 5478 K CB -0.279 32.225 32.500 0.006 0.000 0.728 5478 K HN 0.460 nan 8.250 nan 0.000 0.448 5479 T N 1.190 115.748 114.554 0.007 0.000 2.777 5479 T HA -0.181 4.168 4.350 -0.001 0.000 0.266 5479 T C 1.830 176.534 174.700 0.007 0.000 1.040 5479 T CA 1.360 63.465 62.100 0.008 0.000 1.141 5479 T CB -0.128 68.746 68.868 0.010 0.000 0.868 5479 T HN 0.179 nan 8.240 nan 0.000 0.444 5480 Q N 1.394 121.198 119.800 0.005 0.000 2.096 5480 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 5480 Q C 2.099 178.102 176.000 0.004 0.000 0.982 5480 Q CA 1.923 57.728 55.803 0.004 0.000 0.850 5480 Q CB -0.265 28.474 28.738 0.001 0.000 0.901 5480 Q HN 0.679 nan 8.270 nan 0.000 0.422 5481 E N -0.742 119.460 120.200 0.003 0.000 2.072 5481 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 5481 E C 1.591 178.194 176.600 0.004 0.000 0.985 5481 E CA 0.975 57.377 56.400 0.003 0.000 0.801 5481 E CB 0.062 29.764 29.700 0.003 0.000 0.750 5481 E HN 0.139 nan 8.360 nan 0.000 0.452 5482 K N 0.372 120.775 120.400 0.004 0.000 2.147 5482 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 5482 K C 1.940 178.543 176.600 0.005 0.000 1.049 5482 K CA 0.999 57.289 56.287 0.005 0.000 0.936 5482 K CB 0.027 32.530 32.500 0.005 0.000 0.722 5482 K HN 0.239 nan 8.250 nan 0.000 0.446 5483 E N -0.011 120.192 120.200 0.006 0.000 2.045 5483 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 5483 E C 2.227 178.831 176.600 0.006 0.000 0.968 5483 E CA 0.758 57.162 56.400 0.006 0.000 0.813 5483 E CB -0.047 29.657 29.700 0.008 0.000 0.780 5483 E HN -0.025 nan 8.360 nan 0.000 0.455 5484 V N -0.789 119.129 119.914 0.006 0.000 2.788 5484 V HA 0.207 4.326 4.120 -0.001 0.000 0.241 5484 V C 1.678 177.775 176.094 0.005 0.000 1.083 5484 V CA 1.159 63.462 62.300 0.006 0.000 1.103 5484 V CB 0.280 32.106 31.823 0.005 0.000 0.800 5484 V HN 0.509 nan 8.190 nan 0.000 0.476 5485 G N 0.298 109.100 108.800 0.004 0.000 4.677 5485 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.215 5485 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.215 5485 G C 0.169 175.071 174.900 0.004 0.000 1.506 5485 G CA 0.327 45.429 45.100 0.004 0.000 1.016 5485 G HN 0.482 nan 8.290 nan 0.000 0.653 5486 D N 1.668 122.071 120.400 0.005 0.000 2.377 5486 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 5486 D C 1.482 177.784 176.300 0.003 0.000 1.196 5486 D CA 1.589 55.592 54.000 0.005 0.000 0.962 5486 D CB 0.390 41.195 40.800 0.008 0.000 1.127 5486 D HN 1.800 nan 8.370 nan 0.000 0.471 5487 G N 0.236 109.036 108.800 0.001 0.000 2.147 5487 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 5487 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 5487 G C 1.020 175.915 174.900 -0.007 0.000 1.005 5487 G CA 1.325 46.423 45.100 -0.004 0.000 0.713 5487 G HN 0.658 nan 8.290 nan 0.000 0.515 5488 T N -3.389 111.161 114.554 -0.006 0.000 2.833 5488 T HA -0.083 4.267 4.350 -0.001 0.000 0.269 5488 T C 2.202 176.895 174.700 -0.012 0.000 1.054 5488 T CA 2.461 64.556 62.100 -0.007 0.000 1.135 5488 T CB -0.366 68.499 68.868 -0.005 0.000 0.869 5488 T HN 0.308 nan 8.240 nan 0.000 0.466 5489 T N 1.884 116.429 114.554 -0.015 0.000 2.732 5489 T HA -0.044 4.305 4.350 -0.001 0.000 0.261 5489 T C 2.294 176.978 174.700 -0.027 0.000 1.040 5489 T CA 1.694 63.782 62.100 -0.021 0.000 1.145 5489 T CB -0.923 67.932 68.868 -0.022 0.000 0.866 5489 T HN 0.471 nan 8.240 nan 0.000 0.427 5490 T N 2.331 116.869 114.554 -0.026 0.000 2.665 5490 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 5490 T C 2.364 177.041 174.700 -0.038 0.000 1.035 5490 T CA 1.358 63.438 62.100 -0.034 0.000 1.151 5490 T CB -0.645 68.206 68.868 -0.029 0.000 0.862 5490 T HN 0.424 nan 8.240 nan 0.000 0.438 5491 A N 0.787 123.590 122.820 -0.030 0.000 1.908 5491 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 5491 A C 2.596 180.160 177.584 -0.034 0.000 1.181 5491 A CA 1.621 53.641 52.037 -0.029 0.000 0.627 5491 A CB -0.975 18.015 19.000 -0.017 0.000 0.818 5491 A HN 0.384 nan 8.150 nan 0.000 0.445 5492 V N -0.603 119.293 119.914 -0.030 0.000 2.453 5492 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 5492 V C 2.545 178.613 176.094 -0.043 0.000 1.048 5492 V CA 1.709 63.990 62.300 -0.031 0.000 1.049 5492 V CB -0.590 31.217 31.823 -0.026 0.000 0.672 5492 V HN 0.365 nan 8.190 nan 0.000 0.457 5493 V N -0.194 119.692 119.914 -0.047 0.000 2.343 5493 V HA -0.214 3.905 4.120 -0.001 0.000 0.247 5493 V C 2.438 178.488 176.094 -0.074 0.000 1.051 5493 V CA 1.880 64.146 62.300 -0.056 0.000 1.036 5493 V CB -0.417 31.374 31.823 -0.055 0.000 0.654 5493 V HN 0.400 nan 8.190 nan 0.000 0.451 5494 V N 0.358 120.222 119.914 -0.083 0.000 2.295 5494 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 5494 V C 2.705 178.722 176.094 -0.128 0.000 1.049 5494 V CA 2.105 64.334 62.300 -0.119 0.000 1.024 5494 V CB -1.124 30.627 31.823 -0.121 0.000 0.648 5494 V HN 0.562 nan 8.190 nan 0.000 0.447 5495 A N 0.326 123.093 122.820 -0.089 0.000 1.972 5495 A HA -0.050 4.270 4.320 -0.001 0.000 0.219 5495 A C 2.375 179.924 177.584 -0.058 0.000 1.169 5495 A CA 1.797 53.794 52.037 -0.068 0.000 0.635 5495 A CB -1.067 17.912 19.000 -0.035 0.000 0.810 5495 A HN 0.534 nan 8.150 nan 0.000 0.446 5496 G N -0.375 108.390 108.800 -0.059 0.000 2.404 5496 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.215 5496 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.215 5496 G C 1.483 176.350 174.900 -0.054 0.000 1.174 5496 G CA 1.275 46.344 45.100 -0.051 0.000 0.780 5496 G HN 0.544 nan 8.290 nan 0.000 0.537 5497 E N -0.002 120.154 120.200 -0.074 0.000 2.152 5497 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 5497 E C 2.284 178.832 176.600 -0.086 0.000 0.983 5497 E CA 0.370 56.723 56.400 -0.078 0.000 0.818 5497 E CB -0.406 29.235 29.700 -0.098 0.000 0.758 5497 E HN 0.258 nan 8.360 nan 0.000 0.467 5498 L N 0.111 121.258 121.223 -0.126 0.000 2.083 5498 L HA -0.068 4.271 4.340 -0.001 0.000 0.209 5498 L C 2.024 178.892 176.870 -0.004 0.000 1.083 5498 L CA 1.586 56.327 54.840 -0.165 0.000 0.752 5498 L CB -0.411 41.500 42.059 -0.246 0.000 0.899 5498 L HN 0.256 nan 8.230 nan 0.000 0.433 5499 L N -1.165 120.066 121.223 0.013 0.000 2.093 5499 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 5499 L C 2.732 179.627 176.870 0.042 0.000 1.085 5499 L CA 0.979 55.851 54.840 0.053 0.000 0.755 5499 L CB -0.446 41.623 42.059 0.017 0.000 0.904 5499 L HN 0.216 nan 8.230 nan 0.000 0.435 5500 R N -0.121 120.385 120.500 0.009 0.000 2.081 5500 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 5500 R C 2.285 178.602 176.300 0.028 0.000 1.131 5500 R CA 0.925 57.027 56.100 0.004 0.000 0.960 5500 R CB -0.143 30.146 30.300 -0.017 0.000 0.856 5500 R HN 0.218 nan 8.270 nan 0.000 0.436 5501 K N 0.376 120.804 120.400 0.046 0.000 2.148 5501 K HA -0.028 4.292 4.320 -0.001 0.000 0.204 5501 K C 2.025 178.723 176.600 0.163 0.000 1.050 5501 K CA 1.198 57.539 56.287 0.090 0.000 0.942 5501 K CB -0.160 32.388 32.500 0.080 0.000 0.724 5501 K HN 0.142 nan 8.250 nan 0.000 0.446 5502 A N 1.603 124.555 122.820 0.219 0.000 1.898 5502 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 5502 A C 2.137 179.757 177.584 0.059 0.000 1.181 5502 A CA 1.368 53.512 52.037 0.178 0.000 0.620 5502 A CB -0.288 18.851 19.000 0.231 0.000 0.819 5502 A HN 0.247 nan 8.150 nan 0.000 0.442 5503 E N 0.267 120.495 120.200 0.046 0.000 2.150 5503 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 5503 E C 1.775 178.381 176.600 0.010 0.000 0.985 5503 E CA 1.279 57.687 56.400 0.012 0.000 0.814 5503 E CB -0.150 29.551 29.700 0.001 0.000 0.752 5503 E HN 0.762 nan 8.360 nan 0.000 0.466 5504 E N 0.207 120.421 120.200 0.023 0.000 2.106 5504 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 5504 E C 2.345 178.956 176.600 0.019 0.000 0.984 5504 E CA 0.683 57.095 56.400 0.019 0.000 0.806 5504 E CB -0.006 29.709 29.700 0.026 0.000 0.750 5504 E HN 0.252 nan 8.360 nan 0.000 0.458 5505 L N 0.308 121.547 121.223 0.027 0.000 2.046 5505 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 5505 L C 2.225 179.089 176.870 -0.009 0.000 1.077 5505 L CA 0.507 55.354 54.840 0.013 0.000 0.747 5505 L CB -0.238 41.825 42.059 0.006 0.000 0.896 5505 L HN 0.168 nan 8.230 nan 0.000 0.432 5506 L N -0.179 121.033 121.223 -0.019 0.000 2.093 5506 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 5506 L C 2.105 178.962 176.870 -0.023 0.000 1.085 5506 L CA 1.720 56.540 54.840 -0.035 0.000 0.755 5506 L CB -0.787 41.247 42.059 -0.041 0.000 0.904 5506 L HN 0.248 nan 8.230 nan 0.000 0.435 5507 D N -1.281 119.112 120.400 -0.011 0.000 2.144 5507 D HA -0.171 4.469 4.640 -0.001 0.000 0.200 5507 D C 1.791 178.089 176.300 -0.002 0.000 0.978 5507 D CA 0.773 54.770 54.000 -0.006 0.000 0.833 5507 D CB 0.162 40.961 40.800 -0.002 0.000 0.961 5507 D HN 0.224 nan 8.370 nan 0.000 0.470 5508 Q N 0.083 119.884 119.800 0.001 0.000 2.466 5508 Q HA 0.010 4.349 4.340 -0.001 0.000 0.210 5508 Q C 0.208 176.210 176.000 0.004 0.000 0.961 5508 Q CA 0.192 55.998 55.803 0.005 0.000 0.953 5508 Q CB -0.079 28.666 28.738 0.011 0.000 1.011 5508 Q HN 0.319 nan 8.270 nan 0.000 0.516 5509 N N -0.619 118.080 118.700 -0.002 0.000 2.776 5509 N HA -0.154 4.586 4.740 -0.001 0.000 0.249 5509 N C -1.323 174.192 175.510 0.008 0.000 1.111 5509 N CA 0.300 53.350 53.050 0.000 0.000 0.711 5509 N CB -1.149 37.342 38.487 0.008 0.000 1.065 5509 N HN -0.025 nan 8.380 nan 0.000 0.556 5510 V N 1.927 121.840 119.914 -0.000 0.000 2.385 5510 V HA 0.126 4.245 4.120 -0.001 0.000 0.269 5510 V C 0.935 177.029 176.094 0.000 0.000 1.043 5510 V CA -0.728 61.577 62.300 0.009 0.000 0.906 5510 V CB 1.015 32.835 31.823 -0.005 0.000 0.995 5510 V HN 0.327 nan 8.190 nan 0.000 0.467 5511 H N 8.339 127.390 119.070 -0.032 0.000 3.034 5511 H HA 0.040 4.596 4.556 -0.001 0.000 0.324 5511 H C -1.684 173.613 175.328 -0.052 0.000 1.015 5511 H CA -1.218 54.809 56.048 -0.034 0.000 1.429 5511 H CB 1.643 31.388 29.762 -0.028 0.000 1.429 5511 H HN 0.380 nan 8.280 nan 0.000 0.585 5512 P HA -0.178 nan 4.420 nan 0.000 0.217 5512 P C 1.522 178.852 177.300 0.050 0.000 1.148 5512 P CA 1.799 64.835 63.100 -0.106 0.000 0.834 5512 P CB 0.069 31.665 31.700 -0.174 0.000 0.783 5513 T N -1.747 113.000 114.554 0.321 0.000 2.915 5513 T HA -0.078 4.272 4.350 -0.001 0.000 0.269 5513 T C 1.572 176.296 174.700 0.040 0.000 1.071 5513 T CA 0.754 62.945 62.100 0.152 0.000 1.132 5513 T CB -0.515 68.403 68.868 0.084 0.000 0.878 5513 T HN -0.150 nan 8.240 nan 0.000 0.479 5514 I N 0.722 121.321 120.570 0.049 0.000 2.333 5514 I HA -0.014 4.155 4.170 -0.001 0.000 0.246 5514 I C 2.539 178.593 176.117 -0.105 0.000 1.106 5514 I CA 0.815 62.103 61.300 -0.019 0.000 1.411 5514 I CB -1.315 36.687 38.000 0.004 0.000 1.082 5514 I HN 0.151 nan 8.210 nan 0.000 0.420 5515 V N 0.736 120.550 119.914 -0.167 0.000 2.343 5515 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 5515 V C 2.699 178.468 176.094 -0.542 0.000 1.051 5515 V CA 1.308 63.352 62.300 -0.427 0.000 1.036 5515 V CB -0.559 31.027 31.823 -0.395 0.000 0.654 5515 V HN 0.167 nan 8.190 nan 0.000 0.451 5516 V N 0.056 119.821 119.914 -0.249 0.000 2.261 5516 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 5516 V C 2.485 178.540 176.094 -0.066 0.000 1.047 5516 V CA 2.379 64.609 62.300 -0.116 0.000 1.015 5516 V CB -0.673 31.128 31.823 -0.037 0.000 0.642 5516 V HN 0.531 nan 8.190 nan 0.000 0.446 5517 K N 1.116 121.477 120.400 -0.065 0.000 2.026 5517 K HA -0.106 4.214 4.320 -0.001 0.000 0.208 5517 K C 2.051 178.627 176.600 -0.039 0.000 1.048 5517 K CA 1.947 58.210 56.287 -0.040 0.000 0.929 5517 K CB -1.167 31.312 32.500 -0.035 0.000 0.713 5517 K HN 0.387 nan 8.250 nan 0.000 0.439 5518 G N -0.811 107.959 108.800 -0.051 0.000 2.418 5518 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 5518 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 5518 G C 1.210 176.145 174.900 0.058 0.000 1.158 5518 G CA 0.835 45.938 45.100 0.005 0.000 0.771 5518 G HN 0.268 nan 8.290 nan 0.000 0.545 5519 Y N 0.405 120.628 120.300 -0.128 0.000 2.200 5519 Y HA -0.044 4.505 4.550 -0.001 0.000 0.290 5519 Y C 2.892 178.546 175.900 -0.409 0.000 1.137 5519 Y CA 1.077 59.016 58.100 -0.267 0.000 1.163 5519 Y CB -0.947 37.544 38.460 0.052 0.000 0.988 5519 Y HN 0.269 nan 8.280 nan 0.000 0.518 5520 Q N 0.320 120.108 119.800 -0.019 0.000 2.123 5520 Q HA -0.032 4.308 4.340 -0.001 0.000 0.199 5520 Q C 2.290 178.220 176.000 -0.118 0.000 0.966 5520 Q CA 1.531 57.302 55.803 -0.052 0.000 0.845 5520 Q CB -0.405 28.328 28.738 -0.008 0.000 0.907 5520 Q HN 0.329 nan 8.270 nan 0.000 0.439 5521 A N 0.270 123.018 122.820 -0.120 0.000 1.855 5521 A HA -0.006 4.314 4.320 -0.001 0.000 0.215 5521 A C 2.279 179.769 177.584 -0.156 0.000 1.191 5521 A CA 1.863 53.836 52.037 -0.106 0.000 0.613 5521 A CB -1.196 17.764 19.000 -0.066 0.000 0.829 5521 A HN 0.494 nan 8.150 nan 0.000 0.442 5522 A N -0.321 122.315 122.820 -0.307 0.000 1.930 5522 A HA 0.232 4.552 4.320 -0.001 0.000 0.217 5522 A C 2.458 179.792 177.584 -0.416 0.000 1.175 5522 A CA 1.874 53.683 52.037 -0.381 0.000 0.627 5522 A CB -0.904 17.731 19.000 -0.608 0.000 0.815 5522 A HN 1.028 nan 8.150 nan 0.000 0.443 5523 A N -1.076 121.365 122.820 -0.632 0.000 1.930 5523 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 5523 A C 2.098 179.662 177.584 -0.033 0.000 1.175 5523 A CA 1.543 53.472 52.037 -0.180 0.000 0.627 5523 A CB -0.399 18.545 19.000 -0.093 0.000 0.815 5523 A HN 0.481 nan 8.150 nan 0.000 0.443 5524 Q N -0.071 119.691 119.800 -0.063 0.000 2.119 5524 Q HA -0.111 4.228 4.340 -0.001 0.000 0.201 5524 Q C 1.750 177.758 176.000 0.013 0.000 0.972 5524 Q CA 1.210 57.003 55.803 -0.017 0.000 0.847 5524 Q CB -0.268 28.452 28.738 -0.031 0.000 0.903 5524 Q HN 0.516 nan 8.270 nan 0.000 0.433 5525 K N 0.226 120.643 120.400 0.027 0.000 2.167 5525 K HA 0.100 4.419 4.320 -0.001 0.000 0.203 5525 K C 1.945 178.633 176.600 0.148 0.000 1.052 5525 K CA 0.800 57.147 56.287 0.100 0.000 0.956 5525 K CB -0.101 32.507 32.500 0.179 0.000 0.735 5525 K HN 0.113 nan 8.250 nan 0.000 0.451 5526 A N 1.573 124.472 122.820 0.132 0.000 1.902 5526 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 5526 A C 2.131 179.779 177.584 0.107 0.000 1.181 5526 A CA 1.372 53.498 52.037 0.148 0.000 0.623 5526 A CB -0.380 18.757 19.000 0.229 0.000 0.818 5526 A HN 0.350 nan 8.150 nan 0.000 0.443 5527 Q N -0.879 118.973 119.800 0.087 0.000 2.172 5527 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 5527 Q C 1.881 177.915 176.000 0.057 0.000 0.964 5527 Q CA 1.099 56.940 55.803 0.064 0.000 0.855 5527 Q CB -0.089 28.679 28.738 0.051 0.000 0.918 5527 Q HN 0.581 nan 8.270 nan 0.000 0.444 5528 E N 0.530 120.767 120.200 0.062 0.000 2.110 5528 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 5528 E C 1.948 178.593 176.600 0.075 0.000 0.988 5528 E CA 0.799 57.234 56.400 0.058 0.000 0.804 5528 E CB 0.005 29.736 29.700 0.052 0.000 0.745 5528 E HN 0.218 nan 8.360 nan 0.000 0.458 5529 L N 0.455 121.738 121.223 0.100 0.000 2.093 5529 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 5529 L C 2.423 179.335 176.870 0.069 0.000 1.085 5529 L CA 1.123 56.023 54.840 0.100 0.000 0.755 5529 L CB -0.820 41.305 42.059 0.111 0.000 0.904 5529 L HN 0.095 nan 8.230 nan 0.000 0.435 5530 L N -1.032 120.228 121.223 0.062 0.000 2.093 5530 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 5530 L C 2.431 179.325 176.870 0.041 0.000 1.085 5530 L CA 1.193 56.062 54.840 0.047 0.000 0.755 5530 L CB -0.450 41.635 42.059 0.043 0.000 0.904 5530 L HN 0.231 nan 8.230 nan 0.000 0.435 5531 K N -0.771 119.653 120.400 0.041 0.000 2.155 5531 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 5531 K C 2.045 178.665 176.600 0.034 0.000 1.052 5531 K CA 1.444 57.751 56.287 0.033 0.000 0.948 5531 K CB -0.135 32.383 32.500 0.030 0.000 0.728 5531 K HN 0.263 nan 8.250 nan 0.000 0.448 5532 T N 1.950 116.529 114.554 0.042 0.000 2.777 5532 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 5532 T C 1.852 176.574 174.700 0.037 0.000 1.040 5532 T CA 1.264 63.389 62.100 0.042 0.000 1.141 5532 T CB -0.120 68.782 68.868 0.057 0.000 0.868 5532 T HN 0.384 nan 8.240 nan 0.000 0.444 5533 I N -0.454 120.140 120.570 0.040 0.000 3.728 5533 I HA 0.473 4.643 4.170 -0.001 0.000 0.307 5533 I C 1.019 177.153 176.117 0.030 0.000 1.276 5533 I CA -0.597 60.724 61.300 0.037 0.000 1.285 5533 I CB -0.427 37.602 38.000 0.047 0.000 1.038 5533 I HN -0.056 nan 8.210 nan 0.000 0.445 5534 A N 1.502 124.339 122.820 0.028 0.000 2.567 5534 A HA 0.120 4.440 4.320 -0.001 0.000 0.240 5534 A C 0.099 177.694 177.584 0.019 0.000 1.053 5534 A CA 0.002 52.053 52.037 0.023 0.000 0.755 5534 A CB -0.186 18.828 19.000 0.022 0.000 0.978 5534 A HN 0.639 nan 8.150 nan 0.000 0.507 5535 C N 3.759 123.069 119.300 0.016 0.000 2.273 5535 C HA 0.448 4.907 4.460 -0.001 0.000 0.328 5535 C C 0.317 175.314 174.990 0.011 0.000 1.275 5535 C CA -0.682 58.344 59.018 0.013 0.000 1.704 5535 C CB -0.792 26.956 27.740 0.012 0.000 2.326 5535 C HN 0.881 nan 8.230 nan 0.000 0.517 5536 E N 3.688 123.894 120.200 0.010 0.000 2.316 5536 E HA 0.423 4.773 4.350 -0.001 0.000 0.275 5536 E C -0.113 176.491 176.600 0.007 0.000 1.029 5536 E CA -0.062 56.343 56.400 0.008 0.000 0.871 5536 E CB 1.165 30.870 29.700 0.008 0.000 1.022 5536 E HN 0.700 nan 8.360 nan 0.000 0.418 5537 V N -0.509 119.408 119.914 0.006 0.000 3.040 5537 V HA 0.730 4.849 4.120 -0.001 0.000 0.312 5537 V C 0.320 176.417 176.094 0.005 0.000 1.115 5537 V CA -1.134 61.169 62.300 0.005 0.000 0.998 5537 V CB 1.674 33.500 31.823 0.005 0.000 1.042 5537 V HN 0.660 nan 8.190 nan 0.000 0.433 5538 G N 0.610 109.412 108.800 0.004 0.000 2.365 5538 G HA2 0.482 4.441 3.960 -0.001 0.000 0.249 5538 G HA3 0.482 4.441 3.960 -0.001 0.000 0.249 5538 G C 0.965 175.867 174.900 0.004 0.000 1.288 5538 G CA 0.126 45.228 45.100 0.003 0.000 0.887 5538 G HN 1.657 nan 8.290 nan 0.000 0.524 5539 A N 2.344 125.167 122.820 0.004 0.000 1.940 5539 A HA -0.057 4.263 4.320 -0.001 0.000 0.219 5539 A C 1.942 179.528 177.584 0.004 0.000 1.176 5539 A CA 1.197 53.237 52.037 0.004 0.000 0.631 5539 A CB -0.002 19.000 19.000 0.004 0.000 0.814 5539 A HN 0.515 nan 8.150 nan 0.000 0.446 5540 Q N 0.006 119.808 119.800 0.003 0.000 2.201 5540 Q HA 0.107 4.447 4.340 -0.001 0.000 0.236 5540 Q C -0.945 175.057 176.000 0.002 0.000 0.857 5540 Q CA -0.132 55.673 55.803 0.003 0.000 1.025 5540 Q CB 0.025 28.765 28.738 0.003 0.000 1.124 5540 Q HN 0.720 nan 8.270 nan 0.000 0.473 5541 D N 0.729 121.130 120.400 0.002 0.000 2.344 5541 D HA 0.005 4.644 4.640 -0.001 0.000 0.253 5541 D C 1.250 177.551 176.300 0.001 0.000 1.255 5541 D CA 0.064 54.065 54.000 0.001 0.000 0.894 5541 D CB 0.884 41.684 40.800 0.001 0.000 1.067 5541 D HN -0.218 nan 8.370 nan 0.000 0.492 5542 K N 3.409 123.809 120.400 0.000 0.000 2.077 5542 K HA -0.293 4.027 4.320 -0.001 0.000 0.213 5542 K C 1.553 178.152 176.600 -0.002 0.000 1.051 5542 K CA 2.071 58.357 56.287 -0.001 0.000 0.929 5542 K CB -0.106 32.393 32.500 -0.001 0.000 0.715 5542 K HN 0.660 nan 8.250 nan 0.000 0.451 5543 E N -0.453 119.746 120.200 -0.003 0.000 2.023 5543 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 5543 E C 1.993 178.591 176.600 -0.004 0.000 1.003 5543 E CA 1.659 58.057 56.400 -0.004 0.000 0.809 5543 E CB -0.274 29.423 29.700 -0.004 0.000 0.755 5543 E HN 0.340 nan 8.360 nan 0.000 0.449 5544 I N 0.581 121.150 120.570 -0.002 0.000 2.454 5544 I HA -0.202 3.967 4.170 -0.001 0.000 0.254 5544 I C 1.876 177.993 176.117 0.000 0.000 1.156 5544 I CA 0.727 62.027 61.300 -0.000 0.000 1.433 5544 I CB -0.058 37.943 38.000 0.002 0.000 1.082 5544 I HN 0.212 nan 8.210 nan 0.000 0.432 5545 L N 0.064 121.287 121.223 -0.000 0.000 2.141 5545 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 5545 L C 2.643 179.512 176.870 -0.001 0.000 1.094 5545 L CA 2.294 57.134 54.840 0.001 0.000 0.763 5545 L CB -1.565 40.494 42.059 0.001 0.000 0.908 5545 L HN 0.493 nan 8.230 nan 0.000 0.437 5546 T N -4.953 109.599 114.554 -0.003 0.000 3.035 5546 T HA -0.068 4.282 4.350 -0.001 0.000 0.259 5546 T C 1.898 176.593 174.700 -0.009 0.000 1.078 5546 T CA 0.433 62.530 62.100 -0.006 0.000 1.132 5546 T CB -0.064 68.799 68.868 -0.008 0.000 0.900 5546 T HN 0.178 nan 8.240 nan 0.000 0.480 5547 K N 0.615 121.010 120.400 -0.007 0.000 2.057 5547 K HA 0.098 4.418 4.320 -0.001 0.000 0.206 5547 K C 2.144 178.742 176.600 -0.003 0.000 1.050 5547 K CA 0.962 57.244 56.287 -0.008 0.000 0.935 5547 K CB -0.182 32.314 32.500 -0.006 0.000 0.715 5547 K HN 0.252 nan 8.250 nan 0.000 0.439 5548 I N 1.300 121.870 120.570 0.001 0.000 2.202 5548 I HA -0.218 3.952 4.170 -0.001 0.000 0.242 5548 I C 2.517 178.637 176.117 0.006 0.000 1.091 5548 I CA 1.263 62.566 61.300 0.005 0.000 1.368 5548 I CB -1.343 36.661 38.000 0.006 0.000 1.058 5548 I HN 0.104 nan 8.210 nan 0.000 0.410 5549 A N 0.771 123.593 122.820 0.003 0.000 1.865 5549 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 5549 A C 2.397 179.982 177.584 0.002 0.000 1.191 5549 A CA 1.896 53.934 52.037 0.003 0.000 0.623 5549 A CB -0.658 18.342 19.000 0.000 0.000 0.826 5549 A HN 0.355 nan 8.150 nan 0.000 0.444 5550 M N -0.838 118.759 119.600 -0.005 0.000 2.159 5550 M HA -0.122 4.357 4.480 -0.001 0.000 0.263 5550 M C 2.208 178.504 176.300 -0.006 0.000 1.063 5550 M CA 1.790 57.082 55.300 -0.014 0.000 1.110 5550 M CB -0.641 31.941 32.600 -0.031 0.000 1.374 5550 M HN 0.472 nan 8.290 nan 0.000 0.411 5551 T N -0.244 114.313 114.554 0.004 0.000 2.665 5551 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 5551 T C 1.954 176.679 174.700 0.043 0.000 1.035 5551 T CA 2.020 64.136 62.100 0.026 0.000 1.151 5551 T CB -0.320 68.564 68.868 0.026 0.000 0.862 5551 T HN 0.399 nan 8.240 nan 0.000 0.438 5552 S N 0.206 115.924 115.700 0.029 0.000 2.371 5552 S HA 0.034 4.503 4.470 -0.001 0.000 0.224 5552 S C 2.057 176.679 174.600 0.037 0.000 1.029 5552 S CA 0.571 58.790 58.200 0.031 0.000 0.978 5552 S CB -0.429 62.783 63.200 0.021 0.000 0.833 5552 S HN 0.451 nan 8.310 nan 0.000 0.466 5553 I N 1.680 122.266 120.570 0.028 0.000 2.226 5553 I HA -0.105 4.065 4.170 -0.001 0.000 0.245 5553 I C 1.322 177.466 176.117 0.045 0.000 1.100 5553 I CA 0.966 62.282 61.300 0.026 0.000 1.374 5553 I CB -0.935 37.071 38.000 0.010 0.000 1.057 5553 I HN 0.415 nan 8.210 nan 0.000 0.413 5554 T N -0.408 114.179 114.554 0.054 0.000 2.903 5554 T HA 0.325 4.675 4.350 -0.001 0.000 0.314 5554 T C 1.083 175.912 174.700 0.215 0.000 1.078 5554 T CA 0.090 62.251 62.100 0.101 0.000 1.114 5554 T CB 1.224 70.117 68.868 0.042 0.000 0.987 5554 T HN 0.636 nan 8.240 nan 0.000 0.548 5555 G N 0.494 109.471 108.800 0.294 0.000 2.141 5555 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.242 5555 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.242 5555 G C -0.134 174.832 174.900 0.109 0.000 0.982 5555 G CA 0.317 45.549 45.100 0.220 0.000 0.662 5555 G HN 0.947 nan 8.290 nan 0.000 0.527 5556 K N -0.202 120.255 120.400 0.095 0.000 2.328 5556 K HA 0.707 5.027 4.320 -0.001 0.000 0.246 5556 K C 1.565 178.196 176.600 0.052 0.000 0.955 5556 K CA 0.179 56.500 56.287 0.058 0.000 0.817 5556 K CB 0.972 33.498 32.500 0.045 0.000 1.208 5556 K HN 0.281 nan 8.250 nan 0.000 0.432 5557 G N 1.150 109.973 108.800 0.039 0.000 2.450 5557 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.220 5557 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.220 5557 G C 1.049 175.965 174.900 0.028 0.000 1.130 5557 G CA 1.034 46.154 45.100 0.033 0.000 0.760 5557 G HN 0.638 nan 8.290 nan 0.000 0.557 5558 A N 1.347 124.183 122.820 0.027 0.000 2.209 5558 A HA 0.091 4.411 4.320 -0.001 0.000 0.212 5558 A C 2.090 179.683 177.584 0.015 0.000 1.158 5558 A CA 1.497 53.546 52.037 0.020 0.000 0.742 5558 A CB -0.381 18.631 19.000 0.020 0.000 0.790 5558 A HN 0.660 nan 8.150 nan 0.000 0.472 5559 E N 1.379 121.590 120.200 0.019 0.000 2.333 5559 E HA -0.283 4.067 4.350 -0.001 0.000 0.198 5559 E C 1.557 178.153 176.600 -0.006 0.000 1.007 5559 E CA 1.303 57.706 56.400 0.005 0.000 0.845 5559 E CB -0.540 29.165 29.700 0.009 0.000 0.766 5559 E HN 0.792 nan 8.360 nan 0.000 0.507 5560 K N 0.797 121.199 120.400 0.002 0.000 2.281 5560 K HA -0.079 4.240 4.320 -0.001 0.000 0.203 5560 K C 1.465 178.062 176.600 -0.005 0.000 1.046 5560 K CA 1.463 57.749 56.287 -0.002 0.000 0.938 5560 K CB -0.007 32.496 32.500 0.005 0.000 0.737 5560 K HN 0.164 nan 8.250 nan 0.000 0.458 5561 A N 1.788 124.606 122.820 -0.003 0.000 2.606 5561 A HA 0.137 4.457 4.320 -0.001 0.000 0.290 5561 A C 1.346 178.926 177.584 -0.006 0.000 1.174 5561 A CA -0.563 51.472 52.037 -0.004 0.000 0.958 5561 A CB -0.041 18.960 19.000 0.001 0.000 1.194 5561 A HN 0.413 nan 8.150 nan 0.000 0.526 5562 K N 0.185 120.578 120.400 -0.011 0.000 2.281 5562 K HA -0.197 4.122 4.320 -0.001 0.000 0.203 5562 K C 0.833 177.424 176.600 -0.015 0.000 1.046 5562 K CA 1.905 58.183 56.287 -0.014 0.000 0.938 5562 K CB -0.114 32.371 32.500 -0.026 0.000 0.737 5562 K HN 0.313 nan 8.250 nan 0.000 0.458 5563 E N 1.299 121.489 120.200 -0.016 0.000 2.072 5563 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 5563 E C 1.753 178.349 176.600 -0.008 0.000 0.982 5563 E CA 1.244 57.636 56.400 -0.014 0.000 0.803 5563 E CB 0.050 29.741 29.700 -0.015 0.000 0.755 5563 E HN 0.258 nan 8.360 nan 0.000 0.453 5564 K N 0.330 120.727 120.400 -0.005 0.000 2.057 5564 K HA 0.006 4.326 4.320 -0.001 0.000 0.206 5564 K C 1.971 178.571 176.600 0.001 0.000 1.050 5564 K CA 0.750 57.036 56.287 -0.001 0.000 0.935 5564 K CB -0.305 32.195 32.500 0.001 0.000 0.715 5564 K HN 0.057 nan 8.250 nan 0.000 0.439 5565 L N 0.101 121.324 121.223 0.000 0.000 2.046 5565 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 5565 L C 2.373 179.244 176.870 0.001 0.000 1.077 5565 L CA 1.406 56.247 54.840 0.002 0.000 0.747 5565 L CB -0.603 41.457 42.059 0.003 0.000 0.896 5565 L HN 0.196 nan 8.230 nan 0.000 0.432 5566 A N -0.241 122.577 122.820 -0.002 0.000 1.933 5566 A HA -0.245 4.075 4.320 -0.001 0.000 0.218 5566 A C 2.176 179.759 177.584 -0.001 0.000 1.175 5566 A CA 1.810 53.845 52.037 -0.003 0.000 0.628 5566 A CB -0.427 18.569 19.000 -0.007 0.000 0.814 5566 A HN 0.387 nan 8.150 nan 0.000 0.444 5567 E N 0.197 120.397 120.200 -0.001 0.000 2.051 5567 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 5567 E C 1.755 178.357 176.600 0.003 0.000 0.991 5567 E CA 1.422 57.822 56.400 0.000 0.000 0.799 5567 E CB -0.229 29.471 29.700 -0.000 0.000 0.748 5567 E HN 0.468 nan 8.360 nan 0.000 0.449 5568 I N 0.275 120.848 120.570 0.004 0.000 2.226 5568 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 5568 I C 2.135 178.255 176.117 0.006 0.000 1.100 5568 I CA 0.954 62.258 61.300 0.006 0.000 1.374 5568 I CB -0.797 37.207 38.000 0.008 0.000 1.057 5568 I HN 0.197 nan 8.210 nan 0.000 0.413 5569 I N -0.065 120.508 120.570 0.004 0.000 2.406 5569 I HA -0.149 4.021 4.170 -0.001 0.000 0.249 5569 I C 2.487 178.606 176.117 0.004 0.000 1.122 5569 I CA 0.896 62.199 61.300 0.004 0.000 1.431 5569 I CB -0.404 37.599 38.000 0.004 0.000 1.087 5569 I HN -0.095 nan 8.210 nan 0.000 0.424 5570 V N 0.281 120.197 119.914 0.003 0.000 2.358 5570 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 5570 V C 2.449 178.545 176.094 0.004 0.000 1.047 5570 V CA 1.529 63.831 62.300 0.003 0.000 1.035 5570 V CB -0.581 31.243 31.823 0.002 0.000 0.658 5570 V HN 0.380 nan 8.190 nan 0.000 0.452 5571 E N 0.386 120.588 120.200 0.004 0.000 2.072 5571 E HA -0.132 4.218 4.350 -0.001 0.000 0.191 5571 E C 2.378 178.982 176.600 0.006 0.000 0.985 5571 E CA 1.414 57.817 56.400 0.005 0.000 0.801 5571 E CB -0.458 29.245 29.700 0.006 0.000 0.750 5571 E HN 0.555 nan 8.360 nan 0.000 0.452 5572 A N 1.138 123.961 122.820 0.006 0.000 1.902 5572 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 5572 A C 2.623 180.210 177.584 0.005 0.000 1.181 5572 A CA 1.447 53.487 52.037 0.006 0.000 0.623 5572 A CB -0.689 18.314 19.000 0.005 0.000 0.818 5572 A HN 0.124 nan 8.150 nan 0.000 0.443 5573 V N -0.260 119.656 119.914 0.004 0.000 2.261 5573 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 5573 V C 2.762 178.859 176.094 0.005 0.000 1.047 5573 V CA 2.369 64.671 62.300 0.004 0.000 1.015 5573 V CB -0.833 30.992 31.823 0.004 0.000 0.642 5573 V HN 0.549 nan 8.190 nan 0.000 0.446 5574 S N 0.009 115.712 115.700 0.005 0.000 2.419 5574 S HA -0.125 4.345 4.470 -0.001 0.000 0.233 5574 S C 2.137 176.742 174.600 0.007 0.000 1.016 5574 S CA 1.237 59.440 58.200 0.006 0.000 0.974 5574 S CB -0.394 62.810 63.200 0.006 0.000 0.786 5574 S HN 0.645 nan 8.310 nan 0.000 0.492 5575 A N 1.056 123.881 122.820 0.008 0.000 1.930 5575 A HA -0.020 4.300 4.320 -0.001 0.000 0.217 5575 A C 2.239 179.829 177.584 0.011 0.000 1.175 5575 A CA 1.654 53.697 52.037 0.010 0.000 0.627 5575 A CB -0.537 18.469 19.000 0.009 0.000 0.815 5575 A HN 0.580 nan 8.150 nan 0.000 0.443 5576 V N -3.657 116.262 119.914 0.008 0.000 3.660 5576 V HA 0.134 4.254 4.120 -0.001 0.000 0.276 5576 V C 1.870 177.968 176.094 0.006 0.000 1.317 5576 V CA 0.869 63.173 62.300 0.007 0.000 1.097 5576 V CB -0.301 31.524 31.823 0.004 0.000 0.863 5576 V HN 0.155 nan 8.190 nan 0.000 0.438 5577 V N 0.999 120.917 119.914 0.006 0.000 2.568 5577 V HA -0.183 3.936 4.120 -0.001 0.000 0.253 5577 V C 1.623 177.720 176.094 0.006 0.000 1.072 5577 V CA 2.601 64.904 62.300 0.005 0.000 1.084 5577 V CB -0.596 31.230 31.823 0.005 0.000 0.676 5577 V HN 0.897 nan 8.190 nan 0.000 0.469 5578 D N -1.054 119.351 120.400 0.008 0.000 4.438 5578 D HA -0.222 4.417 4.640 -0.001 0.000 0.158 5578 D C 0.616 176.920 176.300 0.007 0.000 0.686 5578 D CA 1.920 55.925 54.000 0.008 0.000 1.183 5578 D CB -1.235 39.569 40.800 0.005 0.000 0.623 5578 D HN 0.573 nan 8.370 nan 0.000 0.521 5579 D N 1.620 122.022 120.400 0.004 0.000 2.414 5579 D HA 0.216 4.855 4.640 -0.001 0.000 0.251 5579 D C -0.199 176.103 176.300 0.004 0.000 1.252 5579 D CA 0.300 54.303 54.000 0.003 0.000 0.999 5579 D CB 0.406 41.207 40.800 0.002 0.000 1.093 5579 D HN 0.199 nan 8.370 nan 0.000 0.515 5580 E N -0.303 119.899 120.200 0.003 0.000 2.373 5580 E HA 0.549 4.898 4.350 -0.001 0.000 0.233 5580 E C -0.238 176.364 176.600 0.003 0.000 1.035 5580 E CA -0.622 55.780 56.400 0.004 0.000 0.930 5580 E CB 0.625 30.327 29.700 0.004 0.000 1.278 5580 E HN 0.450 nan 8.360 nan 0.000 0.452 5581 G N 1.453 110.255 108.800 0.003 0.000 2.340 5581 G HA2 0.258 4.218 3.960 -0.001 0.000 0.298 5581 G HA3 0.258 4.218 3.960 -0.001 0.000 0.298 5581 G C -1.745 173.157 174.900 0.003 0.000 1.498 5581 G CA -0.736 44.366 45.100 0.003 0.000 0.847 5581 G HN 0.021 nan 8.290 nan 0.000 0.594 5582 K N 0.467 120.868 120.400 0.003 0.000 2.550 5582 K HA 0.541 4.861 4.320 -0.001 0.000 0.252 5582 K C -1.383 175.219 176.600 0.003 0.000 0.943 5582 K CA -0.542 55.747 56.287 0.003 0.000 0.806 5582 K CB 2.261 34.762 32.500 0.002 0.000 1.289 5582 K HN 0.512 nan 8.250 nan 0.000 0.435 5583 V N 3.419 123.334 119.914 0.003 0.000 2.370 5583 V HA 0.205 4.324 4.120 -0.001 0.000 0.279 5583 V C -0.248 175.847 176.094 0.002 0.000 1.029 5583 V CA -0.716 61.585 62.300 0.002 0.000 0.870 5583 V CB 1.317 33.141 31.823 0.003 0.000 0.984 5583 V HN 0.606 nan 8.190 nan 0.000 0.451 5584 D N 4.026 124.426 120.400 0.001 0.000 2.427 5584 D HA 0.197 4.837 4.640 -0.001 0.000 0.226 5584 D C 0.975 177.274 176.300 -0.002 0.000 1.076 5584 D CA -0.385 53.614 54.000 -0.001 0.000 0.849 5584 D CB 1.425 42.224 40.800 -0.002 0.000 1.052 5584 D HN 0.511 nan 8.370 nan 0.000 0.515 5585 K N 2.755 123.154 120.400 -0.002 0.000 2.160 5585 K HA -0.231 4.088 4.320 -0.001 0.000 0.206 5585 K C 0.964 177.561 176.600 -0.006 0.000 1.047 5585 K CA 1.321 57.607 56.287 -0.003 0.000 0.930 5585 K CB 0.161 32.660 32.500 -0.002 0.000 0.720 5585 K HN 0.331 nan 8.250 nan 0.000 0.450 5586 D N 0.192 120.588 120.400 -0.007 0.000 2.309 5586 D HA -0.110 4.530 4.640 -0.001 0.000 0.212 5586 D C 1.390 177.682 176.300 -0.012 0.000 0.968 5586 D CA 0.700 54.694 54.000 -0.010 0.000 0.882 5586 D CB 0.128 40.923 40.800 -0.010 0.000 0.918 5586 D HN 0.263 nan 8.370 nan 0.000 0.503 5587 L N -0.304 120.913 121.223 -0.009 0.000 2.554 5587 L HA 0.171 4.511 4.340 -0.001 0.000 0.226 5587 L C 0.371 177.235 176.870 -0.010 0.000 1.137 5587 L CA 0.181 55.015 54.840 -0.009 0.000 0.863 5587 L CB 0.084 42.141 42.059 -0.004 0.000 0.985 5587 L HN 0.009 nan 8.230 nan 0.000 0.451 5588 I N 0.271 120.835 120.570 -0.010 0.000 2.382 5588 I HA 0.235 4.405 4.170 -0.001 0.000 0.286 5588 I C 0.076 176.184 176.117 -0.015 0.000 1.002 5588 I CA -0.460 60.834 61.300 -0.010 0.000 1.135 5588 I CB 1.678 39.675 38.000 -0.005 0.000 1.288 5588 I HN -0.113 nan 8.210 nan 0.000 0.448 5589 K N 6.626 127.013 120.400 -0.021 0.000 2.172 5589 K HA 0.428 4.747 4.320 -0.001 0.000 0.276 5589 K C -0.706 175.880 176.600 -0.023 0.000 1.013 5589 K CA -0.596 55.675 56.287 -0.028 0.000 0.913 5589 K CB 1.268 33.743 32.500 -0.042 0.000 1.055 5589 K HN 0.452 nan 8.250 nan 0.000 0.461 5590 I N 3.974 124.531 120.570 -0.021 0.000 2.307 5590 I HA 0.174 4.344 4.170 -0.001 0.000 0.287 5590 I C 0.099 176.203 176.117 -0.022 0.000 1.054 5590 I CA -0.583 60.707 61.300 -0.016 0.000 1.218 5590 I CB 0.582 38.576 38.000 -0.010 0.000 1.398 5590 I HN 0.518 nan 8.210 nan 0.000 0.475 5591 E N 7.314 127.499 120.200 -0.025 0.000 2.199 5591 E HA 0.548 4.898 4.350 -0.001 0.000 0.269 5591 E C -0.948 175.640 176.600 -0.019 0.000 0.899 5591 E CA -0.746 55.635 56.400 -0.032 0.000 0.772 5591 E CB 1.406 31.074 29.700 -0.054 0.000 1.155 5591 E HN 0.541 nan 8.360 nan 0.000 0.408 5592 K N 2.909 123.298 120.400 -0.019 0.000 2.471 5592 K HA 0.613 4.933 4.320 -0.001 0.000 0.252 5592 K C -0.929 175.662 176.600 -0.014 0.000 0.938 5592 K CA -1.104 55.176 56.287 -0.011 0.000 0.796 5592 K CB 1.592 34.086 32.500 -0.009 0.000 1.161 5592 K HN 0.097 nan 8.250 nan 0.000 0.425 5593 K N 2.028 122.425 120.400 -0.006 0.000 2.507 5593 K HA 0.217 4.537 4.320 -0.001 0.000 0.251 5593 K C -0.645 175.953 176.600 -0.002 0.000 0.943 5593 K CA -0.582 55.702 56.287 -0.005 0.000 0.794 5593 K CB 2.138 34.643 32.500 0.009 0.000 1.188 5593 K HN 0.993 nan 8.250 nan 0.000 0.428 5594 S N 0.431 116.123 115.700 -0.014 0.000 2.584 5594 S HA 0.674 5.144 4.470 -0.001 0.000 0.270 5594 S C 0.565 175.164 174.600 -0.001 0.000 1.346 5594 S CA 0.328 58.520 58.200 -0.013 0.000 1.018 5594 S CB 0.823 64.005 63.200 -0.029 0.000 0.899 5594 S HN 0.931 nan 8.310 nan 0.000 0.542 5595 G N -0.194 108.607 108.800 0.002 0.000 2.640 5595 G HA2 0.475 4.435 3.960 -0.001 0.000 0.686 5595 G HA3 0.475 4.435 3.960 -0.001 0.000 0.686 5595 G C -0.042 174.864 174.900 0.010 0.000 1.229 5595 G CA -0.124 44.980 45.100 0.007 0.000 0.796 5595 G HN 2.406 nan 8.290 nan 0.000 0.654 5596 A N -0.334 122.492 122.820 0.009 0.000 5.953 5596 A HA 0.387 4.706 4.320 -0.001 0.000 0.267 5596 A C 1.188 178.777 177.584 0.009 0.000 2.116 5596 A CA 1.973 54.016 52.037 0.010 0.000 0.711 5596 A CB -1.623 17.384 19.000 0.012 0.000 1.100 5596 A HN 2.749 nan 8.150 nan 0.000 0.364 5597 S N -2.833 112.872 115.700 0.010 0.000 2.851 5597 S HA 0.691 5.160 4.470 -0.001 0.000 0.317 5597 S C 1.198 175.804 174.600 0.010 0.000 1.144 5597 S CA -0.109 58.097 58.200 0.010 0.000 0.862 5597 S CB 0.628 63.833 63.200 0.008 0.000 1.259 5597 S HN 1.018 nan 8.310 nan 0.000 0.564 5598 I N 2.010 122.586 120.570 0.010 0.000 2.546 5598 I HA -0.034 4.136 4.170 -0.001 0.000 0.255 5598 I C 1.515 177.638 176.117 0.009 0.000 1.163 5598 I CA 1.183 62.489 61.300 0.010 0.000 1.457 5598 I CB -1.348 36.659 38.000 0.011 0.000 1.092 5598 I HN 0.586 nan 8.210 nan 0.000 0.434 5599 D N 1.246 121.650 120.400 0.007 0.000 2.218 5599 D HA -0.172 4.467 4.640 -0.001 0.000 0.204 5599 D C 1.342 177.646 176.300 0.007 0.000 0.976 5599 D CA 1.194 55.197 54.000 0.005 0.000 0.853 5599 D CB -0.116 40.686 40.800 0.004 0.000 0.939 5599 D HN 0.432 nan 8.370 nan 0.000 0.481 5600 D N -0.175 120.230 120.400 0.009 0.000 2.347 5600 D HA -0.034 4.605 4.640 -0.001 0.000 0.215 5600 D C 0.329 176.638 176.300 0.016 0.000 0.976 5600 D CA 0.424 54.431 54.000 0.012 0.000 0.884 5600 D CB -0.013 40.794 40.800 0.012 0.000 0.915 5600 D HN -0.045 nan 8.370 nan 0.000 0.526 5601 T N 1.784 116.347 114.554 0.016 0.000 2.905 5601 T HA 0.063 4.413 4.350 -0.001 0.000 0.299 5601 T C 0.228 174.940 174.700 0.020 0.000 1.024 5601 T CA 0.381 62.492 62.100 0.019 0.000 1.151 5601 T CB 0.225 69.102 68.868 0.014 0.000 0.987 5601 T HN 0.302 nan 8.240 nan 0.000 0.535 5602 E N 2.035 122.251 120.200 0.027 0.000 2.408 5602 E HA 0.596 4.946 4.350 -0.001 0.000 0.275 5602 E C -1.491 175.129 176.600 0.033 0.000 0.935 5602 E CA -1.188 55.229 56.400 0.029 0.000 0.775 5602 E CB 1.302 31.023 29.700 0.034 0.000 1.277 5602 E HN 0.326 nan 8.360 nan 0.000 0.455 5603 L N 2.507 123.747 121.223 0.028 0.000 2.275 5603 L HA 0.484 4.824 4.340 -0.001 0.000 0.288 5603 L C -1.234 175.659 176.870 0.038 0.000 1.046 5603 L CA -0.390 54.466 54.840 0.028 0.000 0.805 5603 L CB 0.882 42.952 42.059 0.018 0.000 1.193 5603 L HN 0.610 nan 8.230 nan 0.000 0.426 5604 I N 5.221 125.820 120.570 0.047 0.000 2.359 5604 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 5604 I C -0.127 176.019 176.117 0.047 0.000 1.018 5604 I CA -0.854 60.487 61.300 0.068 0.000 1.173 5604 I CB 0.993 39.067 38.000 0.124 0.000 1.326 5604 I HN 0.477 nan 8.210 nan 0.000 0.462 5605 K N 5.298 125.722 120.400 0.039 0.000 2.081 5605 K HA 0.440 4.760 4.320 -0.001 0.000 0.230 5605 K C 0.307 176.925 176.600 0.029 0.000 1.199 5605 K CA -0.077 56.225 56.287 0.026 0.000 1.130 5605 K CB -0.034 32.477 32.500 0.018 0.000 1.386 5605 K HN 0.848 nan 8.250 nan 0.000 0.280 5606 G N -1.255 107.561 108.800 0.027 0.000 2.335 5606 G HA2 0.268 4.227 3.960 -0.001 0.000 0.291 5606 G HA3 0.268 4.227 3.960 -0.001 0.000 0.291 5606 G C -1.704 173.194 174.900 -0.003 0.000 1.261 5606 G CA -0.803 44.310 45.100 0.022 0.000 0.871 5606 G HN 0.033 nan 8.290 nan 0.000 0.491 5607 V N 0.715 120.615 119.914 -0.022 0.000 2.409 5607 V HA 0.655 4.775 4.120 -0.001 0.000 0.291 5607 V C -0.719 175.299 176.094 -0.126 0.000 1.020 5607 V CA -0.603 61.651 62.300 -0.077 0.000 0.848 5607 V CB 1.242 33.001 31.823 -0.106 0.000 0.990 5607 V HN 0.818 nan 8.190 nan 0.000 0.430 5608 L N 7.909 129.016 121.223 -0.193 0.000 2.313 5608 L HA 0.852 5.192 4.340 -0.001 0.000 0.283 5608 L C -0.350 176.357 176.870 -0.271 0.000 1.013 5608 L CA -0.150 54.464 54.840 -0.375 0.000 0.816 5608 L CB 1.751 43.490 42.059 -0.535 0.000 1.236 5608 L HN 0.562 nan 8.230 nan 0.000 0.419 5609 V N 1.531 121.295 119.914 -0.250 0.000 2.864 5609 V HA 0.611 4.730 4.120 -0.001 0.000 0.314 5609 V C -0.359 175.661 176.094 -0.123 0.000 1.073 5609 V CA -0.516 61.697 62.300 -0.145 0.000 0.956 5609 V CB 1.857 33.631 31.823 -0.082 0.000 1.023 5609 V HN 0.828 nan 8.190 nan 0.000 0.435 5610 D N 1.055 121.409 120.400 -0.076 0.000 3.085 5610 D HA 0.287 4.927 4.640 -0.001 0.000 0.243 5610 D C -0.153 176.141 176.300 -0.010 0.000 1.232 5610 D CA -0.276 53.695 54.000 -0.048 0.000 0.913 5610 D CB 0.310 41.086 40.800 -0.040 0.000 1.108 5610 D HN 0.527 nan 8.370 nan 0.000 0.468 5611 K N 0.474 120.879 120.400 0.009 0.000 2.340 5611 K HA 0.418 4.738 4.320 -0.001 0.000 0.244 5611 K C 0.160 176.785 176.600 0.041 0.000 0.973 5611 K CA -0.810 55.500 56.287 0.038 0.000 0.828 5611 K CB 2.271 34.823 32.500 0.087 0.000 1.226 5611 K HN 0.265 nan 8.250 nan 0.000 0.437 5612 E N 0.546 120.763 120.200 0.029 0.000 2.334 5612 E HA 0.489 4.839 4.350 -0.001 0.000 0.256 5612 E C -0.657 175.943 176.600 0.000 0.000 0.958 5612 E CA -1.152 55.261 56.400 0.023 0.000 0.821 5612 E CB 0.899 30.609 29.700 0.017 0.000 1.269 5612 E HN 0.091 nan 8.360 nan 0.000 0.413 5613 R N 1.203 121.700 120.500 -0.006 0.000 2.242 5613 R HA 0.083 4.423 4.340 -0.001 0.000 0.334 5613 R C 0.854 177.135 176.300 -0.032 0.000 1.071 5613 R CA -0.153 55.929 56.100 -0.030 0.000 0.922 5613 R CB 0.874 31.161 30.300 -0.022 0.000 1.023 5613 R HN 0.581 nan 8.270 nan 0.000 0.458 5614 V N 1.977 121.862 119.914 -0.048 0.000 2.546 5614 V HA -0.177 3.943 4.120 -0.001 0.000 0.254 5614 V C 0.737 176.801 176.094 -0.050 0.000 1.076 5614 V CA 2.011 64.281 62.300 -0.050 0.000 1.087 5614 V CB 0.031 31.816 31.823 -0.065 0.000 0.674 5614 V HN 0.714 nan 8.190 nan 0.000 0.470 5615 S N -2.210 113.464 115.700 -0.044 0.000 2.536 5615 S HA 0.671 5.141 4.470 -0.001 0.000 0.287 5615 S C 0.748 175.341 174.600 -0.012 0.000 1.101 5615 S CA -0.183 57.997 58.200 -0.032 0.000 0.950 5615 S CB 1.840 65.017 63.200 -0.038 0.000 1.056 5615 S HN 0.516 nan 8.310 nan 0.000 0.481 5616 A N 2.987 125.806 122.820 -0.002 0.000 2.125 5616 A HA -0.069 4.251 4.320 -0.001 0.000 0.219 5616 A C 1.868 179.459 177.584 0.011 0.000 1.156 5616 A CA 1.625 53.666 52.037 0.006 0.000 0.671 5616 A CB -0.586 18.420 19.000 0.009 0.000 0.794 5616 A HN 0.894 nan 8.150 nan 0.000 0.459 5617 Q N -1.088 118.723 119.800 0.018 0.000 2.389 5617 Q HA 0.118 4.458 4.340 -0.001 0.000 0.204 5617 Q C 0.489 176.500 176.000 0.018 0.000 0.944 5617 Q CA 0.046 55.864 55.803 0.026 0.000 0.908 5617 Q CB -0.062 28.706 28.738 0.050 0.000 1.002 5617 Q HN 0.684 nan 8.270 nan 0.000 0.493 5618 M N 1.899 121.503 119.600 0.007 0.000 2.255 5618 M HA 0.275 4.755 4.480 -0.001 0.000 0.336 5618 M C -2.080 174.219 176.300 -0.002 0.000 1.135 5618 M CA -2.021 53.278 55.300 -0.001 0.000 1.145 5618 M CB 0.682 33.272 32.600 -0.017 0.000 1.473 5618 M HN -0.083 nan 8.290 nan 0.000 0.462 5619 P HA 0.015 nan 4.420 nan 0.000 0.266 5619 P C -0.470 176.828 177.300 -0.003 0.000 1.193 5619 P CA 0.280 63.379 63.100 -0.001 0.000 0.770 5619 P CB 0.455 32.154 31.700 -0.002 0.000 0.836 5620 K N 1.443 121.845 120.400 0.003 0.000 2.393 5620 K HA 0.045 4.365 4.320 -0.001 0.000 0.193 5620 K C 0.591 177.201 176.600 0.016 0.000 1.026 5620 K CA 0.546 56.838 56.287 0.009 0.000 1.064 5620 K CB 0.094 32.600 32.500 0.010 0.000 0.833 5620 K HN 0.507 nan 8.250 nan 0.000 0.521 5621 K N -0.870 119.537 120.400 0.012 0.000 2.568 5621 K HA 0.395 4.715 4.320 -0.001 0.000 0.273 5621 K C -1.328 175.280 176.600 0.014 0.000 0.951 5621 K CA -0.921 55.378 56.287 0.019 0.000 0.854 5621 K CB 2.127 34.637 32.500 0.017 0.000 1.424 5621 K HN -0.279 nan 8.250 nan 0.000 0.427 5622 V N 1.446 121.372 119.914 0.021 0.000 2.525 5622 V HA 0.400 4.520 4.120 -0.001 0.000 0.299 5622 V C -0.403 175.706 176.094 0.025 0.000 1.034 5622 V CA -0.599 61.712 62.300 0.017 0.000 0.863 5622 V CB 1.807 33.638 31.823 0.013 0.000 0.999 5622 V HN 1.005 nan 8.190 nan 0.000 0.423 5623 T N -0.052 114.513 114.554 0.018 0.000 2.902 5623 T HA 0.539 4.888 4.350 -0.001 0.000 0.283 5623 T C 0.167 174.878 174.700 0.018 0.000 1.009 5623 T CA -0.220 61.890 62.100 0.018 0.000 1.051 5623 T CB 1.274 70.149 68.868 0.011 0.000 0.999 5623 T HN 0.800 nan 8.240 nan 0.000 0.474 5624 D N 0.398 120.810 120.400 0.019 0.000 2.689 5624 D HA -0.160 4.479 4.640 -0.001 0.000 0.237 5624 D C 0.323 176.638 176.300 0.025 0.000 1.148 5624 D CA 0.836 54.848 54.000 0.019 0.000 0.656 5624 D CB -1.258 39.551 40.800 0.014 0.000 1.050 5624 D HN 1.107 nan 8.370 nan 0.000 0.426 5625 A N 1.396 124.237 122.820 0.034 0.000 2.477 5625 A HA 0.353 4.672 4.320 -0.001 0.000 0.246 5625 A C 0.505 178.118 177.584 0.047 0.000 1.078 5625 A CA 0.189 52.252 52.037 0.043 0.000 0.770 5625 A CB 0.547 19.584 19.000 0.062 0.000 1.011 5625 A HN 0.156 nan 8.150 nan 0.000 0.494 5626 K N 3.021 123.447 120.400 0.044 0.000 2.347 5626 K HA 0.386 4.705 4.320 -0.001 0.000 0.262 5626 K C -1.194 175.443 176.600 0.061 0.000 1.052 5626 K CA -0.243 56.071 56.287 0.046 0.000 0.946 5626 K CB 0.931 33.450 32.500 0.032 0.000 1.220 5626 K HN 0.525 nan 8.250 nan 0.000 0.450 5627 I N 2.142 122.765 120.570 0.088 0.000 2.371 5627 I HA 0.202 4.371 4.170 -0.001 0.000 0.290 5627 I C 0.373 176.562 176.117 0.120 0.000 1.028 5627 I CA -0.171 61.214 61.300 0.142 0.000 1.345 5627 I CB 1.362 39.481 38.000 0.199 0.000 1.407 5627 I HN 0.508 nan 8.210 nan 0.000 0.501 5628 A N 7.591 130.486 122.820 0.125 0.000 2.330 5628 A HA 0.846 5.166 4.320 -0.001 0.000 0.327 5628 A C -0.766 176.905 177.584 0.145 0.000 1.155 5628 A CA -0.562 51.535 52.037 0.099 0.000 0.803 5628 A CB 0.639 19.674 19.000 0.058 0.000 1.208 5628 A HN 0.658 nan 8.150 nan 0.000 0.477 5629 L N 3.454 124.742 121.223 0.108 0.000 2.318 5629 L HA 0.463 4.803 4.340 -0.001 0.000 0.277 5629 L C -1.045 175.866 176.870 0.069 0.000 1.008 5629 L CA -0.101 54.802 54.840 0.105 0.000 0.846 5629 L CB 1.039 43.138 42.059 0.067 0.000 1.220 5629 L HN 0.571 nan 8.230 nan 0.000 0.423 5630 L N 3.117 124.383 121.223 0.071 0.000 2.341 5630 L HA 0.371 4.710 4.340 -0.001 0.000 0.278 5630 L C 0.530 177.427 176.870 0.044 0.000 1.005 5630 L CA -0.567 54.301 54.840 0.047 0.000 0.818 5630 L CB 1.964 44.047 42.059 0.039 0.000 1.259 5630 L HN 0.584 nan 8.230 nan 0.000 0.418 5631 N N 0.188 118.907 118.700 0.031 0.000 2.353 5631 N HA -0.019 4.720 4.740 -0.001 0.000 0.185 5631 N C 0.238 175.760 175.510 0.020 0.000 1.098 5631 N CA -0.209 52.856 53.050 0.025 0.000 0.872 5631 N CB 0.173 38.671 38.487 0.018 0.000 0.970 5631 N HN 0.412 nan 8.380 nan 0.000 0.467 5632 C N 1.506 120.818 119.300 0.019 0.000 2.435 5632 C HA 0.767 5.227 4.460 -0.001 0.000 0.375 5632 C C 0.948 175.947 174.990 0.015 0.000 1.281 5632 C CA -0.986 58.041 59.018 0.015 0.000 1.963 5632 C CB -1.247 26.502 27.740 0.015 0.000 2.490 5632 C HN 0.577 nan 8.230 nan 0.000 0.557 5633 A N 6.573 129.400 122.820 0.010 0.000 2.520 5633 A HA 0.363 4.682 4.320 -0.001 0.000 0.235 5633 A C 0.420 178.008 177.584 0.005 0.000 1.065 5633 A CA 0.003 52.043 52.037 0.006 0.000 0.764 5633 A CB 0.073 19.074 19.000 0.003 0.000 1.002 5633 A HN 0.815 nan 8.150 nan 0.000 0.502 5634 I N 2.438 123.009 120.570 0.001 0.000 2.191 5634 I HA 0.187 4.356 4.170 -0.001 0.000 0.289 5634 I C 0.116 176.230 176.117 -0.005 0.000 1.141 5634 I CA 0.728 62.028 61.300 0.001 0.000 1.430 5634 I CB -1.540 36.458 38.000 -0.004 0.000 1.497 5634 I HN 0.609 nan 8.210 nan 0.000 0.636 5635 E N 2.939 123.139 120.200 -0.000 0.000 2.283 5635 E HA 0.453 4.802 4.350 -0.001 0.000 0.258 5635 E C -0.795 175.809 176.600 0.006 0.000 0.893 5635 E CA -0.488 55.910 56.400 -0.003 0.000 0.798 5635 E CB 2.336 32.032 29.700 -0.006 0.000 1.242 5635 E HN 0.199 nan 8.360 nan 0.000 0.414 5636 E N 1.893 122.099 120.200 0.009 0.000 2.278 5636 E HA 0.180 4.530 4.350 -0.001 0.000 0.272 5636 E C -1.155 175.456 176.600 0.018 0.000 0.890 5636 E CA -0.553 55.857 56.400 0.017 0.000 0.770 5636 E CB 1.894 31.611 29.700 0.028 0.000 1.212 5636 E HN 0.276 nan 8.360 nan 0.000 0.415 5637 T N 2.892 117.456 114.554 0.016 0.000 2.940 5637 T HA 0.483 4.832 4.350 -0.001 0.000 0.309 5637 T C -0.241 174.475 174.700 0.026 0.000 1.056 5637 T CA 0.893 63.003 62.100 0.017 0.000 1.137 5637 T CB -0.254 68.622 68.868 0.013 0.000 0.976 5637 T HN 1.324 nan 8.240 nan 0.000 0.547 5638 A N 3.179 126.017 122.820 0.029 0.000 2.435 5638 A HA -0.046 4.274 4.320 -0.001 0.000 0.686 5638 A C 1.256 178.882 177.584 0.069 0.000 0.138 5638 A CA 0.500 52.562 52.037 0.042 0.000 0.024 5638 A CB -1.854 17.168 19.000 0.036 0.000 3.974 5638 A HN 1.874 nan 8.150 nan 0.000 0.548 5639 S N 0.626 116.384 115.700 0.096 0.000 2.489 5639 S HA -0.013 4.456 4.470 -0.001 0.000 0.228 5639 S C 1.367 176.087 174.600 0.199 0.000 0.995 5639 S CA 1.430 59.745 58.200 0.192 0.000 0.934 5639 S CB 0.076 63.413 63.200 0.229 0.000 0.771 5639 S HN 1.162 nan 8.310 nan 0.000 0.522 5640 E N 1.882 122.143 120.200 0.102 0.000 2.046 5640 E HA 0.046 4.395 4.350 -0.001 0.000 0.190 5640 E C 1.994 178.622 176.600 0.046 0.000 0.982 5640 E CA 1.405 57.837 56.400 0.053 0.000 0.800 5640 E CB -0.417 29.302 29.700 0.032 0.000 0.756 5640 E HN 0.594 nan 8.360 nan 0.000 0.449 5641 M N -0.522 119.109 119.600 0.053 0.000 2.200 5641 M HA -0.041 4.439 4.480 -0.001 0.000 0.265 5641 M C 2.038 178.374 176.300 0.060 0.000 1.066 5641 M CA 0.649 55.975 55.300 0.043 0.000 1.127 5641 M CB -0.110 32.511 32.600 0.035 0.000 1.379 5641 M HN 0.194 nan 8.290 nan 0.000 0.420 5642 L N 0.958 122.237 121.223 0.093 0.000 2.093 5642 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 5642 L C 2.410 179.391 176.870 0.186 0.000 1.085 5642 L CA 1.825 56.739 54.840 0.123 0.000 0.755 5642 L CB -0.697 41.437 42.059 0.125 0.000 0.904 5642 L HN 0.147 nan 8.230 nan 0.000 0.435 5643 K N -0.371 120.153 120.400 0.207 0.000 2.057 5643 K HA -0.198 4.121 4.320 -0.001 0.000 0.207 5643 K C 1.568 178.165 176.600 -0.004 0.000 1.049 5643 K CA 1.826 58.142 56.287 0.049 0.000 0.931 5643 K CB -0.299 32.077 32.500 -0.207 0.000 0.714 5643 K HN 0.374 nan 8.250 nan 0.000 0.440 5644 D N 0.616 121.022 120.400 0.009 0.000 2.178 5644 D HA -0.111 4.529 4.640 -0.001 0.000 0.202 5644 D C 2.014 178.322 176.300 0.015 0.000 0.974 5644 D CA 1.025 55.026 54.000 0.001 0.000 0.841 5644 D CB -0.083 40.720 40.800 0.005 0.000 0.953 5644 D HN 0.291 nan 8.370 nan 0.000 0.478 5645 M N -0.132 119.489 119.600 0.034 0.000 2.117 5645 M HA -0.127 4.353 4.480 -0.001 0.000 0.262 5645 M C 2.251 178.573 176.300 0.037 0.000 1.065 5645 M CA 0.865 56.187 55.300 0.036 0.000 1.114 5645 M CB -0.042 32.585 32.600 0.044 0.000 1.361 5645 M HN -0.115 nan 8.290 nan 0.000 0.408 5646 V N 0.201 120.149 119.914 0.056 0.000 2.358 5646 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 5646 V C 2.579 178.689 176.094 0.026 0.000 1.047 5646 V CA 1.903 64.237 62.300 0.058 0.000 1.035 5646 V CB -1.127 30.767 31.823 0.117 0.000 0.658 5646 V HN 0.510 nan 8.190 nan 0.000 0.452 5647 A N -0.082 122.741 122.820 0.006 0.000 1.969 5647 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 5647 A C 2.175 179.759 177.584 -0.001 0.000 1.169 5647 A CA 1.927 53.958 52.037 -0.010 0.000 0.635 5647 A CB -0.410 18.574 19.000 -0.027 0.000 0.810 5647 A HN 0.551 nan 8.150 nan 0.000 0.445 5648 E N 0.284 120.488 120.200 0.006 0.000 2.107 5648 E HA -0.082 4.268 4.350 -0.001 0.000 0.191 5648 E C 1.654 178.261 176.600 0.011 0.000 0.982 5648 E CA 1.155 57.560 56.400 0.008 0.000 0.809 5648 E CB -0.358 29.349 29.700 0.011 0.000 0.756 5648 E HN 0.644 nan 8.360 nan 0.000 0.459 5649 I N 0.247 120.826 120.570 0.014 0.000 2.252 5649 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 5649 I C 2.271 178.395 176.117 0.011 0.000 1.102 5649 I CA 1.140 62.449 61.300 0.014 0.000 1.385 5649 I CB -0.240 37.770 38.000 0.016 0.000 1.064 5649 I HN 0.062 nan 8.210 nan 0.000 0.414 5650 K N 1.794 122.200 120.400 0.009 0.000 2.063 5650 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 5650 K C 2.035 178.638 176.600 0.005 0.000 1.048 5650 K CA 1.730 58.020 56.287 0.006 0.000 0.928 5650 K CB -0.392 32.109 32.500 0.002 0.000 0.713 5650 K HN 0.270 nan 8.250 nan 0.000 0.442 5651 A N 0.279 123.101 122.820 0.004 0.000 1.972 5651 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 5651 A C 2.140 179.728 177.584 0.007 0.000 1.169 5651 A CA 2.140 54.179 52.037 0.004 0.000 0.635 5651 A CB -1.015 17.986 19.000 0.003 0.000 0.810 5651 A HN 0.568 nan 8.150 nan 0.000 0.446 5652 S N -1.671 114.034 115.700 0.009 0.000 2.442 5652 S HA 0.239 4.708 4.470 -0.001 0.000 0.236 5652 S C 1.646 176.254 174.600 0.013 0.000 1.007 5652 S CA 1.453 59.660 58.200 0.012 0.000 0.965 5652 S CB -0.558 62.651 63.200 0.016 0.000 0.773 5652 S HN 1.988 nan 8.310 nan 0.000 0.504 5653 G N 0.655 109.462 108.800 0.011 0.000 2.175 5653 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.244 5653 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.244 5653 G C 0.253 175.162 174.900 0.014 0.000 0.982 5653 G CA 0.027 45.134 45.100 0.012 0.000 0.641 5653 G HN 1.367 nan 8.290 nan 0.000 0.527 5654 A N 0.000 122.829 122.820 0.015 0.000 2.498 5654 A HA 0.595 4.915 4.320 -0.001 0.000 0.239 5654 A C 1.170 178.759 177.584 0.008 0.000 1.068 5654 A CA 0.958 53.006 52.037 0.017 0.000 0.766 5654 A CB 0.196 19.208 19.000 0.020 0.000 1.003 5654 A HN 0.363 nan 8.150 nan 0.000 0.497 5655 N N 0.335 119.039 118.700 0.007 0.000 2.382 5655 N HA 0.114 4.853 4.740 -0.001 0.000 0.200 5655 N C -0.644 174.850 175.510 -0.027 0.000 1.122 5655 N CA 0.491 53.538 53.050 -0.004 0.000 0.870 5655 N CB 0.885 39.374 38.487 0.004 0.000 1.176 5655 N HN 0.381 nan 8.380 nan 0.000 0.474 5656 V N 2.357 122.253 119.914 -0.030 0.000 2.495 5656 V HA 0.441 4.561 4.120 -0.001 0.000 0.298 5656 V C -0.874 175.148 176.094 -0.119 0.000 1.031 5656 V CA -0.825 61.414 62.300 -0.103 0.000 0.871 5656 V CB 2.365 34.161 31.823 -0.045 0.000 0.988 5656 V HN 0.002 nan 8.190 nan 0.000 0.432 5657 L N 5.628 126.704 121.223 -0.245 0.000 2.372 5657 L HA 0.670 5.009 4.340 -0.001 0.000 0.274 5657 L C -1.325 175.347 176.870 -0.329 0.000 0.988 5657 L CA 0.014 54.752 54.840 -0.170 0.000 0.833 5657 L CB 1.286 43.291 42.059 -0.089 0.000 1.236 5657 L HN 0.472 nan 8.230 nan 0.000 0.410 5658 F N 4.946 124.897 119.950 0.002 0.000 2.361 5658 F HA 0.419 4.946 4.527 -0.001 0.000 0.364 5658 F C 0.256 176.054 175.800 -0.003 0.000 1.117 5658 F CA -0.314 57.684 58.000 -0.003 0.000 1.071 5658 F CB 1.240 40.237 39.000 -0.004 0.000 1.188 5658 F HN 0.489 nan 8.300 nan 0.000 0.464 5659 C N 5.168 124.543 119.300 0.125 0.000 2.295 5659 C HA 0.220 4.679 4.460 -0.001 0.000 0.331 5659 C C 1.681 176.717 174.990 0.077 0.000 1.280 5659 C CA -0.463 58.601 59.018 0.076 0.000 1.746 5659 C CB 0.638 28.395 27.740 0.029 0.000 2.328 5659 C HN 0.937 nan 8.230 nan 0.000 0.521 5660 Q N 3.340 123.176 119.800 0.061 0.000 2.084 5660 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 5660 Q C 0.852 176.869 176.000 0.029 0.000 0.978 5660 Q CA 1.632 57.461 55.803 0.043 0.000 0.844 5660 Q CB 0.171 28.926 28.738 0.029 0.000 0.898 5660 Q HN 0.760 nan 8.270 nan 0.000 0.426 5661 K N -1.146 119.268 120.400 0.023 0.000 2.646 5661 K HA 0.421 4.741 4.320 -0.001 0.000 0.270 5661 K C 0.392 176.998 176.600 0.009 0.000 1.026 5661 K CA -0.191 56.104 56.287 0.013 0.000 1.043 5661 K CB 0.063 32.568 32.500 0.009 0.000 1.383 5661 K HN 0.105 nan 8.250 nan 0.000 0.513 5662 G N 0.279 109.079 108.800 0.000 0.000 2.634 5662 G HA2 0.398 4.358 3.960 -0.001 0.000 0.255 5662 G HA3 0.398 4.358 3.960 -0.001 0.000 0.255 5662 G C -0.499 174.392 174.900 -0.015 0.000 1.205 5662 G CA -0.524 44.571 45.100 -0.009 0.000 0.884 5662 G HN 0.371 nan 8.290 nan 0.000 0.549 5663 I N 0.451 121.005 120.570 -0.028 0.000 2.447 5663 I HA 0.161 4.331 4.170 -0.001 0.000 0.287 5663 I C -0.517 175.565 176.117 -0.059 0.000 1.023 5663 I CA -0.748 60.528 61.300 -0.040 0.000 1.083 5663 I CB 2.040 40.011 38.000 -0.049 0.000 1.245 5663 I HN 0.414 nan 8.210 nan 0.000 0.434 5664 D N 5.365 125.729 120.400 -0.059 0.000 2.414 5664 D HA -0.042 4.598 4.640 -0.001 0.000 0.242 5664 D C 0.667 176.891 176.300 -0.127 0.000 1.129 5664 D CA 0.162 54.118 54.000 -0.074 0.000 0.885 5664 D CB 1.315 42.080 40.800 -0.058 0.000 1.198 5664 D HN 0.500 nan 8.370 nan 0.000 0.437 5665 D N 3.189 123.503 120.400 -0.144 0.000 2.190 5665 D HA -0.182 4.457 4.640 -0.001 0.000 0.200 5665 D C 1.844 177.927 176.300 -0.362 0.000 0.992 5665 D CA 0.553 54.403 54.000 -0.251 0.000 0.854 5665 D CB 0.156 40.850 40.800 -0.177 0.000 0.936 5665 D HN 0.475 nan 8.370 nan 0.000 0.462 5666 L N 0.529 121.632 121.223 -0.201 0.000 2.056 5666 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 5666 L C 2.327 178.980 176.870 -0.362 0.000 1.078 5666 L CA 1.245 55.957 54.840 -0.215 0.000 0.749 5666 L CB -0.143 41.819 42.059 -0.162 0.000 0.901 5666 L HN -0.046 nan 8.230 nan 0.000 0.433 5667 A N -0.848 121.839 122.820 -0.221 0.000 1.969 5667 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 5667 A C 2.063 179.579 177.584 -0.114 0.000 1.169 5667 A CA 1.445 53.407 52.037 -0.125 0.000 0.635 5667 A CB -0.407 18.563 19.000 -0.050 0.000 0.810 5667 A HN 0.595 nan 8.150 nan 0.000 0.445 5668 Q N -1.116 118.565 119.800 -0.199 0.000 2.170 5668 Q HA -0.170 4.170 4.340 -0.001 0.000 0.203 5668 Q C 1.932 177.840 176.000 -0.154 0.000 0.976 5668 Q CA 1.357 57.045 55.803 -0.192 0.000 0.858 5668 Q CB -0.252 28.318 28.738 -0.280 0.000 0.907 5668 Q HN 0.748 nan 8.270 nan 0.000 0.433 5669 H N -0.797 118.207 119.070 -0.110 0.000 2.326 5669 H HA -0.123 4.433 4.556 -0.001 0.000 0.301 5669 H C 1.744 177.113 175.328 0.067 0.000 1.081 5669 H CA 1.261 57.262 56.048 -0.077 0.000 1.334 5669 H CB -0.216 29.432 29.762 -0.189 0.000 1.385 5669 H HN 0.305 nan 8.280 nan 0.000 0.504 5670 Y N 0.658 121.026 120.300 0.113 0.000 2.314 5670 Y HA -0.057 4.493 4.550 -0.001 0.000 0.293 5670 Y C 2.810 178.727 175.900 0.028 0.000 1.129 5670 Y CA 0.109 58.244 58.100 0.057 0.000 1.201 5670 Y CB -0.903 37.582 38.460 0.041 0.000 0.999 5670 Y HN 0.056 nan 8.280 nan 0.000 0.541 5671 L N -0.760 120.563 121.223 0.167 0.000 2.046 5671 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 5671 L C 2.631 179.535 176.870 0.056 0.000 1.077 5671 L CA 1.256 56.142 54.840 0.076 0.000 0.747 5671 L CB -0.779 41.293 42.059 0.021 0.000 0.896 5671 L HN 0.158 nan 8.230 nan 0.000 0.432 5672 A N -0.051 122.807 122.820 0.065 0.000 1.930 5672 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 5672 A C 2.300 179.923 177.584 0.066 0.000 1.175 5672 A CA 1.508 53.579 52.037 0.056 0.000 0.627 5672 A CB -0.308 18.732 19.000 0.067 0.000 0.815 5672 A HN 0.313 nan 8.150 nan 0.000 0.443 5673 K N -0.383 120.078 120.400 0.100 0.000 2.211 5673 K HA -0.084 4.235 4.320 -0.001 0.000 0.203 5673 K C 1.192 177.818 176.600 0.044 0.000 1.050 5673 K CA 1.163 57.498 56.287 0.079 0.000 0.945 5673 K CB 0.006 32.572 32.500 0.110 0.000 0.732 5673 K HN 0.359 nan 8.250 nan 0.000 0.451 5674 E N -0.469 119.758 120.200 0.045 0.000 2.489 5674 E HA 0.023 4.373 4.350 -0.001 0.000 0.193 5674 E C 0.876 177.486 176.600 0.016 0.000 1.057 5674 E CA 0.421 56.835 56.400 0.022 0.000 0.866 5674 E CB 0.640 30.354 29.700 0.022 0.000 0.916 5674 E HN 0.451 nan 8.360 nan 0.000 0.500 5675 G N 1.920 110.732 108.800 0.019 0.000 2.147 5675 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.244 5675 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.244 5675 G C 0.234 175.135 174.900 0.000 0.000 1.005 5675 G CA 0.174 45.280 45.100 0.010 0.000 0.713 5675 G HN 0.269 nan 8.290 nan 0.000 0.515 5676 I N 1.042 121.612 120.570 -0.000 0.000 2.342 5676 I HA 0.422 4.592 4.170 -0.001 0.000 0.291 5676 I C 1.018 177.113 176.117 -0.036 0.000 1.010 5676 I CA -1.087 60.202 61.300 -0.017 0.000 1.308 5676 I CB 1.549 39.542 38.000 -0.012 0.000 1.400 5676 I HN 0.148 nan 8.210 nan 0.000 0.488 5677 V N 3.804 123.681 119.914 -0.061 0.000 2.509 5677 V HA 0.912 5.032 4.120 -0.001 0.000 0.284 5677 V C 0.062 176.061 176.094 -0.158 0.000 1.047 5677 V CA -0.283 61.962 62.300 -0.091 0.000 0.952 5677 V CB 1.174 32.944 31.823 -0.089 0.000 0.988 5677 V HN 0.820 nan 8.190 nan 0.000 0.469 5678 A N 3.617 126.339 122.820 -0.162 0.000 2.515 5678 A HA 0.999 5.318 4.320 -0.001 0.000 0.298 5678 A C -0.330 177.136 177.584 -0.197 0.000 1.059 5678 A CA -0.315 51.601 52.037 -0.202 0.000 0.698 5678 A CB 1.878 20.805 19.000 -0.121 0.000 1.289 5678 A HN 2.330 nan 8.150 nan 0.000 0.404 5679 A N 1.909 124.587 122.820 -0.237 0.000 2.359 5679 A HA 0.739 5.059 4.320 -0.001 0.000 0.303 5679 A C -0.009 177.561 177.584 -0.023 0.000 1.066 5679 A CA -0.649 51.323 52.037 -0.109 0.000 0.730 5679 A CB 0.781 19.735 19.000 -0.076 0.000 1.211 5679 A HN 1.205 nan 8.150 nan 0.000 0.439 5680 R N 1.839 122.335 120.500 -0.007 0.000 2.700 5680 R HA 0.718 5.057 4.340 -0.001 0.000 0.253 5680 R C -0.363 175.954 176.300 0.027 0.000 1.091 5680 R CA -0.782 55.324 56.100 0.009 0.000 1.104 5680 R CB 0.406 30.698 30.300 -0.012 0.000 1.202 5680 R HN 0.493 nan 8.270 nan 0.000 0.532 5681 R N -0.927 119.587 120.500 0.023 0.000 3.516 5681 R HA -0.111 4.229 4.340 -0.001 0.000 0.271 5681 R C -0.682 175.638 176.300 0.032 0.000 1.098 5681 R CA 0.569 56.681 56.100 0.021 0.000 0.732 5681 R CB -2.619 27.687 30.300 0.010 0.000 1.152 5681 R HN 0.528 nan 8.270 nan 0.000 0.455 5682 V N 1.410 121.356 119.914 0.053 0.000 2.572 5682 V HA 0.036 4.156 4.120 -0.001 0.000 0.291 5682 V C 1.467 177.576 176.094 0.024 0.000 1.039 5682 V CA -0.024 62.313 62.300 0.061 0.000 1.055 5682 V CB 1.184 33.075 31.823 0.114 0.000 0.969 5682 V HN 0.153 nan 8.190 nan 0.000 0.482 5683 K N 3.306 123.709 120.400 0.005 0.000 2.382 5683 K HA 0.030 4.350 4.320 -0.001 0.000 0.275 5683 K C 1.209 177.800 176.600 -0.015 0.000 1.009 5683 K CA -0.318 55.964 56.287 -0.008 0.000 0.970 5683 K CB 0.548 33.038 32.500 -0.017 0.000 0.934 5683 K HN 0.608 nan 8.250 nan 0.000 0.479 5684 K N 1.975 122.368 120.400 -0.012 0.000 2.074 5684 K HA -0.198 4.121 4.320 -0.001 0.000 0.209 5684 K C 1.914 178.499 176.600 -0.026 0.000 1.048 5684 K CA 2.227 58.505 56.287 -0.014 0.000 0.926 5684 K CB -0.553 31.941 32.500 -0.010 0.000 0.713 5684 K HN 0.582 nan 8.250 nan 0.000 0.444 5685 S N 0.183 115.866 115.700 -0.029 0.000 2.359 5685 S HA -0.170 4.299 4.470 -0.001 0.000 0.224 5685 S C 1.401 175.966 174.600 -0.058 0.000 1.035 5685 S CA 1.785 59.963 58.200 -0.038 0.000 1.018 5685 S CB -0.554 62.625 63.200 -0.034 0.000 0.876 5685 S HN 0.424 nan 8.310 nan 0.000 0.448 5686 D N 0.912 121.271 120.400 -0.067 0.000 2.144 5686 D HA -0.060 4.580 4.640 -0.001 0.000 0.199 5686 D C 2.000 178.213 176.300 -0.146 0.000 0.984 5686 D CA 0.977 54.911 54.000 -0.111 0.000 0.834 5686 D CB -0.273 40.467 40.800 -0.101 0.000 0.955 5686 D HN 0.382 nan 8.370 nan 0.000 0.465 5687 M N 0.478 120.020 119.600 -0.096 0.000 2.159 5687 M HA -0.086 4.393 4.480 -0.001 0.000 0.263 5687 M C 1.888 178.140 176.300 -0.080 0.000 1.063 5687 M CA 1.199 56.448 55.300 -0.085 0.000 1.110 5687 M CB -0.752 31.830 32.600 -0.031 0.000 1.374 5687 M HN 0.118 nan 8.290 nan 0.000 0.411 5688 E N 0.018 120.179 120.200 -0.065 0.000 2.076 5688 E HA -0.122 4.228 4.350 -0.001 0.000 0.190 5688 E C 2.063 178.625 176.600 -0.064 0.000 0.979 5688 E CA 0.795 57.163 56.400 -0.052 0.000 0.807 5688 E CB 0.015 29.692 29.700 -0.038 0.000 0.761 5688 E HN 0.494 nan 8.360 nan 0.000 0.454 5689 K N 0.679 121.030 120.400 -0.082 0.000 2.097 5689 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 5689 K C 2.197 178.732 176.600 -0.107 0.000 1.049 5689 K CA 0.832 57.067 56.287 -0.086 0.000 0.933 5689 K CB -0.083 32.360 32.500 -0.095 0.000 0.717 5689 K HN 0.106 nan 8.250 nan 0.000 0.442 5690 L N 0.475 121.601 121.223 -0.162 0.000 2.093 5690 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 5690 L C 2.580 179.386 176.870 -0.108 0.000 1.085 5690 L CA 1.031 55.751 54.840 -0.200 0.000 0.755 5690 L CB -0.537 41.296 42.059 -0.377 0.000 0.904 5690 L HN 0.193 nan 8.230 nan 0.000 0.435 5691 A N 0.089 122.862 122.820 -0.078 0.000 1.930 5691 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 5691 A C 2.321 179.890 177.584 -0.025 0.000 1.175 5691 A CA 1.527 53.542 52.037 -0.037 0.000 0.627 5691 A CB -0.281 18.703 19.000 -0.028 0.000 0.815 5691 A HN 0.306 nan 8.150 nan 0.000 0.443 5692 K N -0.314 120.066 120.400 -0.032 0.000 2.026 5692 K HA -0.041 4.279 4.320 -0.001 0.000 0.208 5692 K C 2.333 178.928 176.600 -0.008 0.000 1.048 5692 K CA 1.198 57.474 56.287 -0.019 0.000 0.929 5692 K CB -0.284 32.202 32.500 -0.024 0.000 0.713 5692 K HN 0.437 nan 8.250 nan 0.000 0.439 5693 A N 1.023 123.831 122.820 -0.020 0.000 1.855 5693 A HA -0.124 4.195 4.320 -0.001 0.000 0.213 5693 A C 2.287 179.877 177.584 0.010 0.000 1.195 5693 A CA 2.035 54.068 52.037 -0.007 0.000 0.610 5693 A CB -0.942 18.042 19.000 -0.027 0.000 0.837 5693 A HN 0.452 nan 8.150 nan 0.000 0.444 5694 T N -4.301 110.253 114.554 0.001 0.000 3.043 5694 T HA 0.357 4.707 4.350 -0.001 0.000 0.263 5694 T C 1.485 176.203 174.700 0.030 0.000 1.094 5694 T CA 1.235 63.347 62.100 0.020 0.000 1.127 5694 T CB -0.135 68.746 68.868 0.021 0.000 0.905 5694 T HN 1.772 nan 8.240 nan 0.000 0.490 5695 G N 1.527 110.340 108.800 0.020 0.000 2.143 5695 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.248 5695 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.248 5695 G C 0.282 175.193 174.900 0.020 0.000 0.991 5695 G CA 0.035 45.148 45.100 0.022 0.000 0.689 5695 G HN 1.208 nan 8.290 nan 0.000 0.522 5696 A N -0.327 122.504 122.820 0.018 0.000 2.445 5696 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 5696 A C 0.458 178.052 177.584 0.017 0.000 1.075 5696 A CA 0.550 52.602 52.037 0.025 0.000 0.777 5696 A CB 0.378 19.398 19.000 0.034 0.000 1.013 5696 A HN 0.818 nan 8.150 nan 0.000 0.493 5697 N N 1.661 120.374 118.700 0.021 0.000 2.444 5697 N HA 0.358 5.098 4.740 -0.001 0.000 0.262 5697 N C -0.873 174.648 175.510 0.020 0.000 0.974 5697 N CA -0.356 52.704 53.050 0.016 0.000 0.933 5697 N CB 1.159 39.655 38.487 0.015 0.000 1.137 5697 N HN 0.288 nan 8.380 nan 0.000 0.498 5698 V N 4.912 124.834 119.914 0.014 0.000 2.485 5698 V HA 0.141 4.261 4.120 -0.001 0.000 0.287 5698 V C 0.399 176.504 176.094 0.017 0.000 1.022 5698 V CA -0.065 62.245 62.300 0.017 0.000 1.067 5698 V CB -0.122 31.706 31.823 0.009 0.000 0.967 5698 V HN 0.516 nan 8.190 nan 0.000 0.479 5699 I N 4.134 124.717 120.570 0.022 0.000 2.441 5699 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 5699 I C 0.986 177.114 176.117 0.018 0.000 0.994 5699 I CA -0.337 60.974 61.300 0.019 0.000 1.144 5699 I CB 1.313 39.326 38.000 0.021 0.000 1.314 5699 I HN 0.635 nan 8.210 nan 0.000 0.445 5700 A N 5.621 128.450 122.820 0.014 0.000 1.832 5700 A HA 0.355 4.675 4.320 -0.001 0.000 0.214 5700 A C 1.079 178.671 177.584 0.014 0.000 1.204 5700 A CA 1.094 53.139 52.037 0.013 0.000 0.606 5700 A CB -0.174 18.832 19.000 0.010 0.000 0.849 5700 A HN 0.733 nan 8.150 nan 0.000 0.445 5701 A N -1.022 121.806 122.820 0.013 0.000 2.317 5701 A HA 0.645 4.965 4.320 -0.001 0.000 0.327 5701 A C 0.737 178.329 177.584 0.014 0.000 1.178 5701 A CA -0.594 51.451 52.037 0.013 0.000 0.817 5701 A CB 0.403 19.410 19.000 0.011 0.000 1.189 5701 A HN 0.364 nan 8.150 nan 0.000 0.489 5702 I N 1.820 122.399 120.570 0.015 0.000 2.335 5702 I HA -0.331 3.838 4.170 -0.001 0.000 0.251 5702 I C 2.755 178.880 176.117 0.014 0.000 1.129 5702 I CA 1.635 62.944 61.300 0.016 0.000 1.402 5702 I CB -0.246 37.763 38.000 0.016 0.000 1.069 5702 I HN 0.779 nan 8.210 nan 0.000 0.424 5703 A N 0.821 123.648 122.820 0.012 0.000 1.917 5703 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 5703 A C 2.505 180.095 177.584 0.010 0.000 1.182 5703 A CA 2.092 54.135 52.037 0.010 0.000 0.633 5703 A CB -0.746 18.260 19.000 0.009 0.000 0.819 5703 A HN 0.459 nan 8.150 nan 0.000 0.448 5704 A N -1.298 121.528 122.820 0.011 0.000 2.067 5704 A HA 0.291 4.611 4.320 -0.001 0.000 0.217 5704 A C 1.023 178.615 177.584 0.012 0.000 1.156 5704 A CA 0.473 52.516 52.037 0.011 0.000 0.683 5704 A CB -0.451 18.555 19.000 0.010 0.000 0.808 5704 A HN 0.598 nan 8.150 nan 0.000 0.455 5705 L N 1.817 123.049 121.223 0.014 0.000 2.477 5705 L HA 0.360 4.700 4.340 -0.001 0.000 0.272 5705 L C 0.379 177.258 176.870 0.015 0.000 1.157 5705 L CA 0.503 55.353 54.840 0.016 0.000 0.889 5705 L CB 0.387 42.458 42.059 0.019 0.000 1.158 5705 L HN 0.344 nan 8.230 nan 0.000 0.473 5706 S N 3.375 119.085 115.700 0.015 0.000 2.704 5706 S HA 0.781 5.250 4.470 -0.001 0.000 0.296 5706 S C 0.835 175.445 174.600 0.016 0.000 1.138 5706 S CA -0.349 57.859 58.200 0.014 0.000 0.875 5706 S CB 1.276 64.483 63.200 0.012 0.000 1.151 5706 S HN 0.811 nan 8.310 nan 0.000 0.500 5707 A N 0.372 123.200 122.820 0.015 0.000 2.024 5707 A HA -0.081 4.238 4.320 -0.001 0.000 0.220 5707 A C 2.021 179.616 177.584 0.018 0.000 1.164 5707 A CA 1.527 53.573 52.037 0.016 0.000 0.643 5707 A CB -1.059 17.950 19.000 0.014 0.000 0.806 5707 A HN 0.857 nan 8.150 nan 0.000 0.451 5708 Q N -0.519 119.291 119.800 0.016 0.000 2.436 5708 Q HA -0.100 4.240 4.340 -0.001 0.000 0.209 5708 Q C 0.545 176.556 176.000 0.018 0.000 0.965 5708 Q CA 0.978 56.791 55.803 0.016 0.000 0.910 5708 Q CB 0.012 28.758 28.738 0.013 0.000 0.980 5708 Q HN 0.612 nan 8.270 nan 0.000 0.491 5709 D N -0.202 120.210 120.400 0.020 0.000 2.350 5709 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 5709 D C -0.146 176.171 176.300 0.028 0.000 1.031 5709 D CA 0.223 54.236 54.000 0.022 0.000 0.861 5709 D CB 0.374 41.187 40.800 0.021 0.000 0.926 5709 D HN 0.096 nan 8.370 nan 0.000 0.520 5710 L N 0.966 122.207 121.223 0.031 0.000 2.380 5710 L HA 0.325 4.665 4.340 -0.001 0.000 0.273 5710 L C 1.284 178.178 176.870 0.040 0.000 1.138 5710 L CA -0.032 54.832 54.840 0.039 0.000 0.832 5710 L CB 1.016 43.096 42.059 0.036 0.000 1.124 5710 L HN -0.174 nan 8.230 nan 0.000 0.454 5711 G N 1.179 110.008 108.800 0.048 0.000 2.488 5711 G HA2 0.535 4.494 3.960 -0.001 0.000 0.318 5711 G HA3 0.535 4.494 3.960 -0.001 0.000 0.318 5711 G C -1.111 173.820 174.900 0.052 0.000 1.188 5711 G CA -0.460 44.667 45.100 0.046 0.000 0.944 5711 G HN 0.529 nan 8.290 nan 0.000 0.495 5712 D N -0.395 120.034 120.400 0.047 0.000 2.350 5712 D HA 0.661 5.301 4.640 -0.001 0.000 0.245 5712 D C -0.250 176.076 176.300 0.044 0.000 1.036 5712 D CA 0.066 54.093 54.000 0.045 0.000 0.848 5712 D CB 1.971 42.795 40.800 0.039 0.000 1.307 5712 D HN 0.592 nan 8.370 nan 0.000 0.469 5713 A N 0.302 123.150 122.820 0.046 0.000 2.488 5713 A HA 0.622 4.942 4.320 -0.001 0.000 0.298 5713 A C 0.961 178.567 177.584 0.037 0.000 1.044 5713 A CA -0.413 51.651 52.037 0.045 0.000 0.693 5713 A CB 1.614 20.655 19.000 0.069 0.000 1.272 5713 A HN 0.487 nan 8.150 nan 0.000 0.402 5714 G N 0.330 109.145 108.800 0.025 0.000 2.408 5714 G HA2 0.300 4.259 3.960 -0.001 0.000 0.217 5714 G HA3 0.300 4.259 3.960 -0.001 0.000 0.217 5714 G C 0.285 175.200 174.900 0.026 0.000 1.150 5714 G CA 1.653 46.764 45.100 0.018 0.000 0.776 5714 G HN 1.221 nan 8.290 nan 0.000 0.542 5715 L N 0.119 121.365 121.223 0.039 0.000 2.562 5715 L HA 0.584 4.923 4.340 -0.001 0.000 0.266 5715 L C -1.332 175.585 176.870 0.077 0.000 0.949 5715 L CA -0.733 54.136 54.840 0.047 0.000 0.879 5715 L CB 2.421 44.500 42.059 0.033 0.000 1.278 5715 L HN -0.148 nan 8.230 nan 0.000 0.404 5716 V N 4.495 124.460 119.914 0.084 0.000 2.334 5716 V HA 0.625 4.745 4.120 -0.001 0.000 0.281 5716 V C -0.365 175.791 176.094 0.103 0.000 1.016 5716 V CA -0.426 61.947 62.300 0.121 0.000 0.832 5716 V CB 1.390 33.295 31.823 0.136 0.000 0.999 5716 V HN 0.823 nan 8.190 nan 0.000 0.439 5717 E N 3.269 123.552 120.200 0.138 0.000 2.292 5717 E HA 0.389 4.739 4.350 -0.001 0.000 0.272 5717 E C -0.881 175.819 176.600 0.167 0.000 0.881 5717 E CA -0.681 55.784 56.400 0.108 0.000 0.754 5717 E CB 2.067 31.801 29.700 0.057 0.000 1.201 5717 E HN 0.742 nan 8.360 nan 0.000 0.425 5718 E N 4.419 124.687 120.200 0.114 0.000 2.129 5718 E HA 0.200 4.550 4.350 -0.001 0.000 0.283 5718 E C -0.865 175.801 176.600 0.110 0.000 1.080 5718 E CA -0.159 56.318 56.400 0.128 0.000 0.867 5718 E CB 0.602 30.345 29.700 0.072 0.000 1.056 5718 E HN 0.346 nan 8.360 nan 0.000 0.404 5719 R N 3.597 124.207 120.500 0.183 0.000 2.750 5719 R HA 0.412 4.752 4.340 -0.001 0.000 0.281 5719 R C -0.682 175.708 176.300 0.149 0.000 0.972 5719 R CA -0.924 55.229 56.100 0.088 0.000 0.912 5719 R CB 1.967 32.186 30.300 -0.136 0.000 1.187 5719 R HN 0.329 nan 8.270 nan 0.000 0.464 5720 K N 1.970 122.413 120.400 0.071 0.000 2.159 5720 K HA 0.459 4.778 4.320 -0.001 0.000 0.266 5720 K C -0.756 175.888 176.600 0.074 0.000 0.975 5720 K CA -0.459 55.873 56.287 0.074 0.000 0.865 5720 K CB 1.737 34.260 32.500 0.039 0.000 1.087 5720 K HN 0.435 nan 8.250 nan 0.000 0.446 5721 I N 1.410 122.035 120.570 0.091 0.000 2.468 5721 I HA 0.056 4.226 4.170 -0.001 0.000 0.285 5721 I C -0.635 175.512 176.117 0.051 0.000 1.039 5721 I CA -0.018 61.330 61.300 0.080 0.000 1.074 5721 I CB 1.326 39.405 38.000 0.132 0.000 1.228 5721 I HN 0.700 nan 8.210 nan 0.000 0.436 5722 S N 4.743 120.463 115.700 0.033 0.000 3.587 5722 S HA -0.198 4.272 4.470 -0.001 0.000 0.337 5722 S C 1.070 175.682 174.600 0.019 0.000 1.119 5722 S CA 1.183 59.395 58.200 0.021 0.000 0.976 5722 S CB -1.612 61.599 63.200 0.018 0.000 0.922 5722 S HN 1.595 nan 8.310 nan 0.000 0.503 5723 G N 0.089 108.902 108.800 0.022 0.000 2.284 5723 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.230 5723 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.230 5723 G C -0.416 174.499 174.900 0.026 0.000 1.021 5723 G CA 0.123 45.235 45.100 0.020 0.000 0.619 5723 G HN 0.596 nan 8.290 nan 0.000 0.510 5724 D N 1.261 121.680 120.400 0.031 0.000 2.308 5724 D HA 0.471 5.110 4.640 -0.001 0.000 0.251 5724 D C 0.303 176.635 176.300 0.054 0.000 1.127 5724 D CA 0.497 54.517 54.000 0.034 0.000 0.876 5724 D CB 1.614 42.429 40.800 0.025 0.000 1.176 5724 D HN 0.197 nan 8.370 nan 0.000 0.446 5725 S N 2.909 118.638 115.700 0.048 0.000 2.481 5725 S HA 0.399 4.869 4.470 -0.001 0.000 0.276 5725 S C -0.229 174.413 174.600 0.070 0.000 1.247 5725 S CA -0.401 57.839 58.200 0.067 0.000 1.053 5725 S CB 0.035 63.264 63.200 0.047 0.000 0.925 5725 S HN 0.313 nan 8.310 nan 0.000 0.491 5726 M N 4.473 124.143 119.600 0.117 0.000 2.619 5726 M HA 0.532 5.012 4.480 -0.001 0.000 0.297 5726 M C -1.069 175.305 176.300 0.124 0.000 1.229 5726 M CA -0.638 54.700 55.300 0.062 0.000 0.860 5726 M CB 2.152 34.737 32.600 -0.026 0.000 1.741 5726 M HN 0.438 nan 8.290 nan 0.000 0.462 5727 I N 1.685 122.268 120.570 0.021 0.000 2.339 5727 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 5727 I C -1.347 174.752 176.117 -0.030 0.000 0.994 5727 I CA -0.368 61.002 61.300 0.116 0.000 1.191 5727 I CB 0.932 39.034 38.000 0.169 0.000 1.343 5727 I HN 0.437 nan 8.210 nan 0.000 0.458 5728 F N 5.971 125.958 119.950 0.061 0.000 2.385 5728 F HA 0.379 4.906 4.527 -0.001 0.000 0.360 5728 F C 0.093 175.926 175.800 0.056 0.000 1.122 5728 F CA -0.771 57.255 58.000 0.044 0.000 1.090 5728 F CB 1.362 40.379 39.000 0.027 0.000 1.150 5728 F HN 0.016 nan 8.300 nan 0.000 0.472 5729 V N 4.423 124.432 119.914 0.157 0.000 2.311 5729 V HA 0.398 4.518 4.120 -0.001 0.000 0.275 5729 V C -0.299 175.852 176.094 0.094 0.000 1.022 5729 V CA -0.534 61.837 62.300 0.117 0.000 0.830 5729 V CB 0.569 32.427 31.823 0.057 0.000 1.012 5729 V HN 0.839 nan 8.190 nan 0.000 0.452 5730 E N 3.140 123.398 120.200 0.097 0.000 2.446 5730 E HA 0.622 4.972 4.350 -0.001 0.000 0.276 5730 E C -0.668 175.958 176.600 0.044 0.000 0.969 5730 E CA -0.877 55.566 56.400 0.072 0.000 0.800 5730 E CB 1.680 31.434 29.700 0.091 0.000 1.341 5730 E HN 0.220 nan 8.360 nan 0.000 0.460 5731 E N -1.203 119.011 120.200 0.023 0.000 3.181 5731 E HA -0.156 4.193 4.350 -0.001 0.000 0.293 5731 E C -0.551 176.043 176.600 -0.009 0.000 0.936 5731 E CA 0.748 57.150 56.400 0.002 0.000 0.975 5731 E CB -2.398 27.306 29.700 0.006 0.000 1.496 5731 E HN 0.593 nan 8.360 nan 0.000 0.429 5732 C N 0.966 120.263 119.300 -0.005 0.000 2.689 5732 C HA 0.068 4.527 4.460 -0.001 0.000 0.409 5732 C C 2.304 177.257 174.990 -0.061 0.000 1.293 5732 C CA -0.027 58.985 59.018 -0.011 0.000 2.136 5732 C CB 0.419 28.163 27.740 0.005 0.000 2.719 5732 C HN 0.355 nan 8.230 nan 0.000 0.644 5733 K N 0.415 120.771 120.400 -0.072 0.000 2.001 5733 K HA -0.132 4.187 4.320 -0.001 0.000 0.214 5733 K C 0.063 176.375 176.600 -0.481 0.000 1.050 5733 K CA 1.783 57.937 56.287 -0.221 0.000 0.934 5733 K CB -0.136 32.325 32.500 -0.064 0.000 0.718 5733 K HN 0.732 nan 8.250 nan 0.000 0.443 5734 H N -0.404 118.671 119.070 0.007 0.000 2.488 5734 H HA 0.202 4.757 4.556 -0.001 0.000 0.237 5734 H C -2.592 172.738 175.328 0.002 0.000 1.395 5734 H CA -1.752 54.299 56.048 0.005 0.000 1.491 5734 H CB 0.699 30.463 29.762 0.003 0.000 1.567 5734 H HN 0.121 nan 8.280 nan 0.000 0.508 5735 P HA 0.064 nan 4.420 nan 0.000 0.271 5735 P C 0.147 177.471 177.300 0.040 0.000 1.220 5735 P CA -0.520 62.603 63.100 0.037 0.000 0.768 5735 P CB 1.571 33.279 31.700 0.015 0.000 0.848 5736 K N 1.052 121.468 120.400 0.027 0.000 2.399 5736 K HA 0.459 4.778 4.320 -0.001 0.000 0.204 5736 K C 0.372 176.975 176.600 0.004 0.000 1.023 5736 K CA -0.292 56.007 56.287 0.019 0.000 1.127 5736 K CB 0.492 33.000 32.500 0.015 0.000 0.856 5736 K HN 0.542 nan 8.250 nan 0.000 0.514 5737 A N 0.513 123.332 122.820 -0.002 0.000 2.486 5737 A HA 0.662 4.982 4.320 -0.001 0.000 0.300 5737 A C -0.597 176.981 177.584 -0.010 0.000 1.048 5737 A CA -0.726 51.304 52.037 -0.012 0.000 0.696 5737 A CB 1.474 20.458 19.000 -0.027 0.000 1.278 5737 A HN -0.040 nan 8.150 nan 0.000 0.405 5738 V N -1.088 118.820 119.914 -0.010 0.000 3.074 5738 V HA 0.966 5.086 4.120 -0.001 0.000 0.314 5738 V C -0.434 175.652 176.094 -0.014 0.000 1.117 5738 V CA -0.579 61.718 62.300 -0.006 0.000 1.014 5738 V CB 1.714 33.538 31.823 0.003 0.000 1.057 5738 V HN 0.853 nan 8.190 nan 0.000 0.438 5739 T N 4.093 118.641 114.554 -0.010 0.000 2.841 5739 T HA 0.513 4.863 4.350 -0.001 0.000 0.285 5739 T C -0.516 174.182 174.700 -0.003 0.000 0.991 5739 T CA -0.212 61.875 62.100 -0.021 0.000 0.966 5739 T CB 1.347 70.185 68.868 -0.049 0.000 0.962 5739 T HN 0.957 nan 8.240 nan 0.000 0.438 5740 M N 4.893 124.489 119.600 -0.006 0.000 2.063 5740 M HA 0.477 4.957 4.480 -0.001 0.000 0.348 5740 M C -1.155 175.147 176.300 0.003 0.000 1.180 5740 M CA -0.709 54.594 55.300 0.004 0.000 1.059 5740 M CB 0.274 32.876 32.600 0.002 0.000 1.544 5740 M HN 0.532 nan 8.290 nan 0.000 0.447 5741 L N 7.304 128.538 121.223 0.019 0.000 2.259 5741 L HA 0.467 4.807 4.340 -0.001 0.000 0.288 5741 L C -1.042 175.843 176.870 0.025 0.000 1.051 5741 L CA -0.411 54.444 54.840 0.025 0.000 0.824 5741 L CB 0.444 42.541 42.059 0.064 0.000 1.206 5741 L HN 0.754 nan 8.230 nan 0.000 0.429 5742 I N 5.533 126.111 120.570 0.014 0.000 2.325 5742 I HA 0.318 4.488 4.170 -0.001 0.000 0.291 5742 I C 0.226 176.352 176.117 0.014 0.000 1.019 5742 I CA -0.304 61.004 61.300 0.013 0.000 1.302 5742 I CB 0.860 38.864 38.000 0.007 0.000 1.401 5742 I HN 0.577 nan 8.210 nan 0.000 0.485 5743 R N 4.032 124.542 120.500 0.016 0.000 2.828 5743 R HA 0.898 5.237 4.340 -0.001 0.000 0.264 5743 R C -0.239 176.068 176.300 0.012 0.000 1.022 5743 R CA -0.975 55.134 56.100 0.016 0.000 1.021 5743 R CB 2.155 32.467 30.300 0.020 0.000 1.163 5743 R HN 0.831 nan 8.270 nan 0.000 0.494 5744 G N -0.905 107.901 108.800 0.010 0.000 2.340 5744 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.298 5744 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.298 5744 G C -0.091 174.814 174.900 0.007 0.000 1.498 5744 G CA -0.479 44.627 45.100 0.010 0.000 0.847 5744 G HN 0.413 nan 8.290 nan 0.000 0.594 5745 T N -0.669 113.891 114.554 0.010 0.000 2.995 5745 T HA 0.279 4.629 4.350 -0.001 0.000 0.269 5745 T C 0.782 175.485 174.700 0.006 0.000 1.091 5745 T CA 2.169 64.275 62.100 0.009 0.000 1.128 5745 T CB -0.219 68.657 68.868 0.013 0.000 0.891 5745 T HN 0.701 nan 8.240 nan 0.000 0.492 5746 T N 1.029 115.587 114.554 0.006 0.000 2.956 5746 T HA 0.272 4.622 4.350 -0.001 0.000 0.312 5746 T C 0.275 174.959 174.700 -0.026 0.000 1.151 5746 T CA -0.776 61.322 62.100 -0.004 0.000 1.024 5746 T CB 2.165 71.050 68.868 0.029 0.000 1.140 5746 T HN -0.109 nan 8.240 nan 0.000 0.473 5747 E N 1.014 121.158 120.200 -0.093 0.000 2.070 5747 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 5747 E C 1.667 178.192 176.600 -0.125 0.000 1.004 5747 E CA 1.672 57.982 56.400 -0.150 0.000 0.805 5747 E CB -0.071 29.470 29.700 -0.266 0.000 0.744 5747 E HN 0.560 nan 8.360 nan 0.000 0.451 5748 H N -0.237 118.836 119.070 0.005 0.000 2.491 5748 H HA -0.010 4.546 4.556 -0.001 0.000 0.290 5748 H C 2.265 177.596 175.328 0.005 0.000 1.050 5748 H CA 0.615 56.665 56.048 0.004 0.000 1.309 5748 H CB -0.040 29.724 29.762 0.004 0.000 1.392 5748 H HN -0.009 nan 8.280 nan 0.000 0.554 5749 V N 1.895 121.874 119.914 0.109 0.000 2.323 5749 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 5749 V C 2.582 178.702 176.094 0.044 0.000 1.041 5749 V CA 1.605 63.944 62.300 0.065 0.000 1.025 5749 V CB -0.456 31.395 31.823 0.046 0.000 0.656 5749 V HN 0.413 nan 8.190 nan 0.000 0.451 5750 I N -1.905 118.682 120.570 0.028 0.000 3.111 5750 I HA -0.035 4.135 4.170 -0.001 0.000 0.272 5750 I C 2.061 178.189 176.117 0.019 0.000 1.268 5750 I CA 1.215 62.526 61.300 0.017 0.000 1.467 5750 I CB -0.556 37.446 38.000 0.004 0.000 1.087 5750 I HN 0.279 nan 8.210 nan 0.000 0.467 5751 E N 1.534 121.753 120.200 0.032 0.000 2.106 5751 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 5751 E C 1.960 178.583 176.600 0.039 0.000 0.984 5751 E CA 1.115 57.540 56.400 0.042 0.000 0.806 5751 E CB 0.041 29.790 29.700 0.082 0.000 0.750 5751 E HN 0.538 nan 8.360 nan 0.000 0.458 5752 E N 0.330 120.556 120.200 0.043 0.000 2.107 5752 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 5752 E C 2.316 178.931 176.600 0.025 0.000 0.982 5752 E CA 0.552 56.972 56.400 0.032 0.000 0.809 5752 E CB -0.042 29.679 29.700 0.034 0.000 0.756 5752 E HN 0.126 nan 8.360 nan 0.000 0.459 5753 V N 1.841 121.769 119.914 0.024 0.000 2.358 5753 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 5753 V C 2.499 178.602 176.094 0.014 0.000 1.047 5753 V CA 1.725 64.036 62.300 0.018 0.000 1.035 5753 V CB -0.886 30.947 31.823 0.017 0.000 0.658 5753 V HN 0.223 nan 8.190 nan 0.000 0.452 5754 A N 0.440 123.268 122.820 0.013 0.000 1.892 5754 A HA -0.306 4.013 4.320 -0.001 0.000 0.218 5754 A C 2.318 179.907 177.584 0.009 0.000 1.188 5754 A CA 2.479 54.522 52.037 0.009 0.000 0.631 5754 A CB -0.550 18.455 19.000 0.007 0.000 0.822 5754 A HN 0.467 nan 8.150 nan 0.000 0.447 5755 R N -0.071 120.437 120.500 0.012 0.000 2.090 5755 R HA 0.070 4.409 4.340 -0.001 0.000 0.228 5755 R C 2.161 178.467 176.300 0.011 0.000 1.110 5755 R CA 1.758 57.865 56.100 0.011 0.000 0.973 5755 R CB -0.882 29.425 30.300 0.012 0.000 0.869 5755 R HN 0.389 nan 8.270 nan 0.000 0.440 5756 A N 0.143 122.971 122.820 0.013 0.000 1.908 5756 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 5756 A C 2.160 179.751 177.584 0.012 0.000 1.181 5756 A CA 1.972 54.017 52.037 0.014 0.000 0.627 5756 A CB -0.851 18.159 19.000 0.017 0.000 0.818 5756 A HN 0.314 nan 8.150 nan 0.000 0.445 5757 V N -2.283 117.637 119.914 0.010 0.000 2.951 5757 V HA -0.045 4.074 4.120 -0.001 0.000 0.255 5757 V C 1.775 177.873 176.094 0.006 0.000 1.088 5757 V CA 2.138 64.442 62.300 0.008 0.000 1.109 5757 V CB -0.664 31.163 31.823 0.007 0.000 0.724 5757 V HN 0.452 nan 8.190 nan 0.000 0.471 5758 D N 1.155 121.558 120.400 0.005 0.000 2.178 5758 D HA -0.189 4.450 4.640 -0.001 0.000 0.201 5758 D C 1.682 177.985 176.300 0.004 0.000 0.980 5758 D CA 1.775 55.777 54.000 0.004 0.000 0.842 5758 D CB -0.043 40.759 40.800 0.003 0.000 0.948 5758 D HN 0.514 nan 8.370 nan 0.000 0.472 5759 D N -0.513 119.891 120.400 0.006 0.000 2.149 5759 D HA 0.035 4.674 4.640 -0.001 0.000 0.206 5759 D C 2.042 178.346 176.300 0.007 0.000 0.967 5759 D CA 1.252 55.256 54.000 0.007 0.000 0.848 5759 D CB -0.610 40.195 40.800 0.009 0.000 0.998 5759 D HN 0.253 nan 8.370 nan 0.000 0.474 5760 A N 0.847 123.672 122.820 0.008 0.000 1.908 5760 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 5760 A C 2.368 179.955 177.584 0.006 0.000 1.181 5760 A CA 1.421 53.462 52.037 0.008 0.000 0.627 5760 A CB -0.922 18.083 19.000 0.008 0.000 0.818 5760 A HN 0.188 nan 8.150 nan 0.000 0.445 5761 V N -0.154 119.763 119.914 0.005 0.000 2.759 5761 V HA -0.072 4.047 4.120 -0.001 0.000 0.256 5761 V C 2.258 178.354 176.094 0.004 0.000 1.080 5761 V CA 2.111 64.413 62.300 0.004 0.000 1.101 5761 V CB -0.614 31.211 31.823 0.003 0.000 0.698 5761 V HN 0.569 nan 8.190 nan 0.000 0.477 5762 G N -0.240 108.562 108.800 0.004 0.000 2.395 5762 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.214 5762 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.214 5762 G C 1.616 176.519 174.900 0.005 0.000 1.177 5762 G CA 1.218 46.321 45.100 0.004 0.000 0.794 5762 G HN 0.660 nan 8.290 nan 0.000 0.532 5763 V N -1.074 118.844 119.914 0.006 0.000 2.871 5763 V HA 0.002 4.121 4.120 -0.001 0.000 0.256 5763 V C 2.574 178.672 176.094 0.006 0.000 1.082 5763 V CA 1.198 63.502 62.300 0.007 0.000 1.105 5763 V CB -0.363 31.464 31.823 0.008 0.000 0.713 5763 V HN 0.114 nan 8.190 nan 0.000 0.473 5764 V N 2.013 121.930 119.914 0.006 0.000 2.379 5764 V HA -0.006 4.114 4.120 -0.001 0.000 0.245 5764 V C 2.920 179.016 176.094 0.005 0.000 1.044 5764 V CA 2.125 64.428 62.300 0.005 0.000 1.036 5764 V CB -1.318 30.507 31.823 0.004 0.000 0.664 5764 V HN 0.605 nan 8.190 nan 0.000 0.453 5765 G N -1.367 107.436 108.800 0.005 0.000 2.418 5765 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.217 5765 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.217 5765 G C 1.887 176.790 174.900 0.005 0.000 1.158 5765 G CA 1.200 46.302 45.100 0.004 0.000 0.771 5765 G HN 0.529 nan 8.290 nan 0.000 0.545 5766 C N 0.533 119.837 119.300 0.005 0.000 2.429 5766 C HA -0.021 4.438 4.460 -0.001 0.000 0.277 5766 C C 3.150 178.144 174.990 0.007 0.000 1.262 5766 C CA 2.001 61.022 59.018 0.006 0.000 1.733 5766 C CB -1.051 26.693 27.740 0.007 0.000 2.010 5766 C HN 0.400 nan 8.230 nan 0.000 0.483 5767 T N 1.019 115.577 114.554 0.007 0.000 2.833 5767 T HA -0.088 4.261 4.350 -0.001 0.000 0.269 5767 T C 1.570 176.273 174.700 0.006 0.000 1.054 5767 T CA 1.814 63.918 62.100 0.007 0.000 1.135 5767 T CB -0.247 68.624 68.868 0.006 0.000 0.869 5767 T HN 0.591 nan 8.240 nan 0.000 0.466 5768 I N 0.631 121.205 120.570 0.005 0.000 2.286 5768 I HA -0.074 4.096 4.170 -0.001 0.000 0.245 5768 I C 2.538 178.658 176.117 0.005 0.000 1.104 5768 I CA 1.204 62.507 61.300 0.005 0.000 1.397 5768 I CB -0.254 37.749 38.000 0.005 0.000 1.072 5768 I HN 0.261 nan 8.210 nan 0.000 0.417 5769 E N 0.161 120.364 120.200 0.005 0.000 2.152 5769 E HA -0.081 4.269 4.350 -0.001 0.000 0.192 5769 E C -0.114 176.490 176.600 0.006 0.000 0.983 5769 E CA 0.699 57.102 56.400 0.005 0.000 0.818 5769 E CB 0.222 29.925 29.700 0.005 0.000 0.758 5769 E HN 0.375 nan 8.360 nan 0.000 0.467 5770 D N -0.531 119.873 120.400 0.007 0.000 2.505 5770 D HA 0.140 4.779 4.640 -0.001 0.000 0.250 5770 D C -0.062 176.243 176.300 0.008 0.000 1.164 5770 D CA -0.165 53.840 54.000 0.008 0.000 0.870 5770 D CB 1.720 42.525 40.800 0.009 0.000 1.160 5770 D HN 0.084 nan 8.370 nan 0.000 0.549 5771 G N 2.061 110.866 108.800 0.008 0.000 3.279 5771 G HA2 0.005 3.965 3.960 -0.001 0.000 0.230 5771 G HA3 0.005 3.965 3.960 -0.001 0.000 0.230 5771 G C 0.615 175.520 174.900 0.009 0.000 1.230 5771 G CA -0.097 45.008 45.100 0.007 0.000 0.891 5771 G HN 0.095 nan 8.290 nan 0.000 0.518 5772 R N -0.068 120.438 120.500 0.010 0.000 2.437 5772 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 5772 R C -0.477 175.831 176.300 0.012 0.000 0.955 5772 R CA -0.574 55.532 56.100 0.012 0.000 0.851 5772 R CB 1.520 31.828 30.300 0.013 0.000 1.161 5772 R HN 0.305 nan 8.270 nan 0.000 0.446 5773 I N -0.195 120.382 120.570 0.013 0.000 3.042 5773 I HA 0.843 5.013 4.170 -0.001 0.000 0.310 5773 I C -0.546 175.580 176.117 0.016 0.000 1.117 5773 I CA -1.245 60.063 61.300 0.013 0.000 1.003 5773 I CB 2.161 40.168 38.000 0.011 0.000 1.228 5773 I HN 0.315 nan 8.210 nan 0.000 0.443 5774 V N 0.142 120.066 119.914 0.017 0.000 3.130 5774 V HA 0.839 4.959 4.120 -0.001 0.000 0.310 5774 V C 0.071 176.179 176.094 0.023 0.000 1.158 5774 V CA -0.405 61.908 62.300 0.021 0.000 1.029 5774 V CB 1.162 32.999 31.823 0.024 0.000 1.057 5774 V HN 1.156 nan 8.190 nan 0.000 0.436 5775 S N 1.517 117.233 115.700 0.028 0.000 2.576 5775 S HA 0.701 5.170 4.470 -0.001 0.000 0.276 5775 S C 0.488 175.106 174.600 0.031 0.000 1.339 5775 S CA 0.154 58.372 58.200 0.030 0.000 1.039 5775 S CB 0.898 64.120 63.200 0.037 0.000 0.902 5775 S HN 1.802 nan 8.310 nan 0.000 0.516 5776 G N 0.070 108.889 108.800 0.031 0.000 2.641 5776 G HA2 0.556 4.516 3.960 -0.001 0.000 0.239 5776 G HA3 0.556 4.516 3.960 -0.001 0.000 0.239 5776 G C 0.893 175.812 174.900 0.031 0.000 1.402 5776 G CA -0.563 44.554 45.100 0.029 0.000 1.046 5776 G HN 2.025 nan 8.290 nan 0.000 0.565 5777 G N -2.223 106.594 108.800 0.029 0.000 2.155 5777 G HA2 0.236 4.196 3.960 -0.001 0.000 0.257 5777 G HA3 0.236 4.196 3.960 -0.001 0.000 0.257 5777 G C 1.460 176.361 174.900 0.003 0.000 0.983 5777 G CA 1.159 46.274 45.100 0.025 0.000 0.676 5777 G HN 2.515 nan 8.290 nan 0.000 0.528 5778 G N -1.295 107.500 108.800 -0.009 0.000 2.157 5778 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.248 5778 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.248 5778 G C 1.417 176.288 174.900 -0.049 0.000 0.979 5778 G CA 1.653 46.732 45.100 -0.036 0.000 0.650 5778 G HN 1.938 nan 8.290 nan 0.000 0.529 5779 S N 0.058 115.754 115.700 -0.007 0.000 2.368 5779 S HA -0.163 4.307 4.470 -0.001 0.000 0.225 5779 S C 2.799 177.390 174.600 -0.015 0.000 1.030 5779 S CA 2.803 61.019 58.200 0.026 0.000 0.999 5779 S CB -0.528 62.739 63.200 0.112 0.000 0.844 5779 S HN 1.409 nan 8.310 nan 0.000 0.459 5780 T N -0.398 114.156 114.554 0.001 0.000 2.701 5780 T HA -0.046 4.304 4.350 -0.001 0.000 0.263 5780 T C 1.565 176.230 174.700 -0.058 0.000 1.040 5780 T CA 1.540 63.639 62.100 -0.001 0.000 1.147 5780 T CB -0.872 68.000 68.868 0.008 0.000 0.865 5780 T HN 0.405 nan 8.240 nan 0.000 0.426 5781 E N 1.052 121.207 120.200 -0.076 0.000 2.130 5781 E HA -0.076 4.273 4.350 -0.001 0.000 0.196 5781 E C 2.289 178.797 176.600 -0.153 0.000 0.998 5781 E CA 1.075 57.412 56.400 -0.105 0.000 0.806 5781 E CB -0.765 28.874 29.700 -0.101 0.000 0.738 5781 E HN 0.434 nan 8.360 nan 0.000 0.459 5782 V N 0.436 120.212 119.914 -0.230 0.000 2.323 5782 V HA -0.221 3.899 4.120 -0.001 0.000 0.244 5782 V C 2.285 178.140 176.094 -0.399 0.000 1.041 5782 V CA 1.840 63.924 62.300 -0.360 0.000 1.025 5782 V CB -0.435 31.055 31.823 -0.555 0.000 0.656 5782 V HN 0.212 nan 8.190 nan 0.000 0.451 5783 E N 0.620 120.580 120.200 -0.401 0.000 2.097 5783 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 5783 E C 2.033 178.599 176.600 -0.057 0.000 1.000 5783 E CA 1.715 58.082 56.400 -0.055 0.000 0.804 5783 E CB -0.399 29.382 29.700 0.136 0.000 0.740 5783 E HN 0.557 nan 8.360 nan 0.000 0.454 5784 L N -0.147 121.033 121.223 -0.072 0.000 2.056 5784 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 5784 L C 2.542 179.364 176.870 -0.080 0.000 1.078 5784 L CA 1.271 56.077 54.840 -0.056 0.000 0.749 5784 L CB -0.391 41.652 42.059 -0.027 0.000 0.901 5784 L HN 0.111 nan 8.230 nan 0.000 0.433 5785 S N -0.563 115.078 115.700 -0.099 0.000 2.382 5785 S HA -0.147 4.322 4.470 -0.001 0.000 0.228 5785 S C 2.015 176.560 174.600 -0.091 0.000 1.027 5785 S CA 1.223 59.369 58.200 -0.091 0.000 0.991 5785 S CB -0.109 63.028 63.200 -0.104 0.000 0.823 5785 S HN 0.270 nan 8.310 nan 0.000 0.469 5786 M N 1.384 120.925 119.600 -0.097 0.000 2.064 5786 M HA -0.049 4.431 4.480 -0.001 0.000 0.260 5786 M C 2.042 178.258 176.300 -0.140 0.000 1.073 5786 M CA 1.608 56.862 55.300 -0.077 0.000 1.124 5786 M CB -1.105 31.484 32.600 -0.018 0.000 1.326 5786 M HN 0.224 nan 8.290 nan 0.000 0.410 5787 K N 0.252 120.522 120.400 -0.216 0.000 2.103 5787 K HA 0.002 4.321 4.320 -0.001 0.000 0.204 5787 K C 2.061 178.148 176.600 -0.854 0.000 1.052 5787 K CA 0.872 56.867 56.287 -0.486 0.000 0.945 5787 K CB -0.178 32.049 32.500 -0.455 0.000 0.722 5787 K HN 0.261 nan 8.250 nan 0.000 0.443 5788 L N 0.534 121.465 121.223 -0.487 0.000 2.201 5788 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 5788 L C 2.340 179.153 176.870 -0.096 0.000 1.105 5788 L CA 0.963 55.646 54.840 -0.262 0.000 0.775 5788 L CB -0.275 41.778 42.059 -0.009 0.000 0.913 5788 L HN 0.129 nan 8.230 nan 0.000 0.440 5789 R N 0.041 120.483 120.500 -0.098 0.000 2.115 5789 R HA -0.149 4.191 4.340 -0.001 0.000 0.230 5789 R C 2.082 178.379 176.300 -0.005 0.000 1.111 5789 R CA 1.221 57.305 56.100 -0.027 0.000 0.976 5789 R CB -0.125 30.158 30.300 -0.028 0.000 0.870 5789 R HN 0.463 nan 8.270 nan 0.000 0.445 5790 E N -0.523 119.647 120.200 -0.051 0.000 2.107 5790 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 5790 E C 1.576 178.297 176.600 0.202 0.000 0.982 5790 E CA 0.809 57.235 56.400 0.044 0.000 0.809 5790 E CB 0.015 29.728 29.700 0.023 0.000 0.756 5790 E HN 0.319 nan 8.360 nan 0.000 0.459 5791 Y N 0.656 120.971 120.300 0.026 0.000 2.224 5791 Y HA -0.088 4.461 4.550 -0.001 0.000 0.289 5791 Y C 2.400 178.311 175.900 0.019 0.000 1.146 5791 Y CA 0.589 58.701 58.100 0.020 0.000 1.182 5791 Y CB -1.160 37.312 38.460 0.020 0.000 0.983 5791 Y HN 0.033 nan 8.280 nan 0.000 0.524 5792 A N 0.268 123.200 122.820 0.186 0.000 1.940 5792 A HA -0.169 4.151 4.320 -0.001 0.000 0.219 5792 A C 2.175 179.810 177.584 0.085 0.000 1.176 5792 A CA 1.675 53.780 52.037 0.114 0.000 0.631 5792 A CB -0.395 18.660 19.000 0.092 0.000 0.814 5792 A HN 0.319 nan 8.150 nan 0.000 0.446 5793 E N -0.547 119.703 120.200 0.084 0.000 2.106 5793 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 5793 E C 2.147 178.781 176.600 0.055 0.000 0.984 5793 E CA 1.139 57.576 56.400 0.062 0.000 0.806 5793 E CB -0.611 29.124 29.700 0.058 0.000 0.750 5793 E HN 0.595 nan 8.360 nan 0.000 0.458 5794 G N 0.918 109.759 108.800 0.069 0.000 2.430 5794 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.216 5794 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.216 5794 G C 1.742 176.658 174.900 0.027 0.000 1.146 5794 G CA 0.162 45.288 45.100 0.043 0.000 0.793 5794 G HN 0.142 nan 8.290 nan 0.000 0.537 5795 I N -0.105 120.488 120.570 0.037 0.000 2.163 5795 I HA -0.025 4.144 4.170 -0.001 0.000 0.240 5795 I C 1.762 177.891 176.117 0.019 0.000 1.081 5795 I CA 0.831 62.145 61.300 0.023 0.000 1.353 5795 I CB -0.306 37.714 38.000 0.034 0.000 1.054 5795 I HN 0.308 nan 8.210 nan 0.000 0.407 5796 S N -1.136 114.580 115.700 0.028 0.000 3.633 5796 S HA -0.119 4.351 4.470 -0.001 0.000 0.637 5796 S C 0.449 175.059 174.600 0.017 0.000 2.289 5796 S CA 0.756 58.969 58.200 0.022 0.000 2.476 5796 S CB -1.420 61.790 63.200 0.016 0.000 0.330 5796 S HN 1.458 nan 8.310 nan 0.000 1.787 5797 G N 0.664 109.472 108.800 0.013 0.000 2.601 5797 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.261 5797 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.261 5797 G C 0.329 175.236 174.900 0.011 0.000 1.289 5797 G CA 0.967 46.072 45.100 0.008 0.000 0.920 5797 G HN 1.091 nan 8.290 nan 0.000 0.571 5798 R N 0.213 120.717 120.500 0.007 0.000 2.115 5798 R HA 0.025 4.365 4.340 -0.001 0.000 0.226 5798 R C 2.534 178.841 176.300 0.011 0.000 1.100 5798 R CA 1.372 57.478 56.100 0.010 0.000 0.980 5798 R CB -0.234 30.070 30.300 0.007 0.000 0.875 5798 R HN 0.716 nan 8.270 nan 0.000 0.445 5799 E N 0.951 121.156 120.200 0.007 0.000 2.171 5799 E HA -0.262 4.087 4.350 -0.001 0.000 0.197 5799 E C 2.058 178.676 176.600 0.030 0.000 0.997 5799 E CA 1.075 57.479 56.400 0.008 0.000 0.810 5799 E CB 0.101 29.801 29.700 0.001 0.000 0.738 5799 E HN 0.205 nan 8.360 nan 0.000 0.467 5800 Q N 0.595 120.416 119.800 0.035 0.000 2.226 5800 Q HA -0.164 4.175 4.340 -0.001 0.000 0.204 5800 Q C 2.144 178.182 176.000 0.063 0.000 0.975 5800 Q CA 0.922 56.756 55.803 0.051 0.000 0.866 5800 Q CB -0.067 28.697 28.738 0.043 0.000 0.915 5800 Q HN 0.430 nan 8.270 nan 0.000 0.440 5801 L N 0.050 121.305 121.223 0.053 0.000 2.027 5801 L HA -0.141 4.199 4.340 -0.001 0.000 0.206 5801 L C 2.607 179.535 176.870 0.096 0.000 1.074 5801 L CA 1.269 56.145 54.840 0.060 0.000 0.745 5801 L CB -0.658 41.425 42.059 0.039 0.000 0.898 5801 L HN 0.166 nan 8.230 nan 0.000 0.433 5802 A N -0.550 122.325 122.820 0.092 0.000 1.929 5802 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 5802 A C 2.312 180.097 177.584 0.336 0.000 1.176 5802 A CA 1.285 53.421 52.037 0.166 0.000 0.628 5802 A CB -0.680 18.302 19.000 -0.029 0.000 0.816 5802 A HN 0.178 nan 8.150 nan 0.000 0.444 5803 V N 0.135 120.174 119.914 0.209 0.000 2.343 5803 V HA -0.229 3.891 4.120 -0.001 0.000 0.247 5803 V C 2.672 178.896 176.094 0.217 0.000 1.051 5803 V CA 2.327 64.747 62.300 0.200 0.000 1.036 5803 V CB -0.789 31.101 31.823 0.112 0.000 0.654 5803 V HN 0.623 nan 8.190 nan 0.000 0.451 5804 R N 1.129 121.725 120.500 0.160 0.000 2.081 5804 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 5804 R C 2.158 178.532 176.300 0.123 0.000 1.131 5804 R CA 1.922 58.093 56.100 0.118 0.000 0.960 5804 R CB -0.992 29.357 30.300 0.081 0.000 0.856 5804 R HN 0.431 nan 8.270 nan 0.000 0.436 5805 A N -0.454 122.466 122.820 0.165 0.000 1.933 5805 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 5805 A C 2.157 179.808 177.584 0.111 0.000 1.175 5805 A CA 1.332 53.460 52.037 0.151 0.000 0.628 5805 A CB -0.840 18.291 19.000 0.218 0.000 0.814 5805 A HN 0.486 nan 8.150 nan 0.000 0.444 5806 F N 0.983 120.944 119.950 0.018 0.000 2.075 5806 F HA -0.103 4.423 4.527 -0.001 0.000 0.297 5806 F C 2.536 178.258 175.800 -0.130 0.000 1.113 5806 F CA 1.517 59.400 58.000 -0.195 0.000 1.218 5806 F CB -0.398 38.517 39.000 -0.142 0.000 0.984 5806 F HN 0.245 nan 8.300 nan 0.000 0.472 5807 A N -0.171 122.722 122.820 0.121 0.000 1.902 5807 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 5807 A C 1.889 179.420 177.584 -0.089 0.000 1.181 5807 A CA 1.965 54.010 52.037 0.014 0.000 0.623 5807 A CB -0.977 18.064 19.000 0.069 0.000 0.818 5807 A HN 0.457 nan 8.150 nan 0.000 0.443 5808 D N 0.021 120.386 120.400 -0.058 0.000 2.219 5808 D HA 0.025 4.664 4.640 -0.001 0.000 0.205 5808 D C 2.116 178.348 176.300 -0.113 0.000 0.970 5808 D CA 1.190 55.150 54.000 -0.067 0.000 0.851 5808 D CB -0.350 40.434 40.800 -0.027 0.000 0.943 5808 D HN 0.426 nan 8.370 nan 0.000 0.488 5809 A N 0.620 123.337 122.820 -0.172 0.000 2.024 5809 A HA -0.129 4.190 4.320 -0.001 0.000 0.220 5809 A C 2.244 179.696 177.584 -0.220 0.000 1.164 5809 A CA 0.766 52.674 52.037 -0.215 0.000 0.643 5809 A CB -0.714 18.086 19.000 -0.333 0.000 0.806 5809 A HN 0.245 nan 8.150 nan 0.000 0.451 5810 L N -0.359 120.718 121.223 -0.243 0.000 2.265 5810 L HA -0.140 4.199 4.340 -0.001 0.000 0.215 5810 L C 2.013 178.798 176.870 -0.142 0.000 1.117 5810 L CA 0.769 55.488 54.840 -0.202 0.000 0.782 5810 L CB -0.452 41.490 42.059 -0.195 0.000 0.914 5810 L HN 0.325 nan 8.230 nan 0.000 0.441 5811 E N -0.323 119.803 120.200 -0.123 0.000 2.409 5811 E HA -0.141 4.209 4.350 -0.001 0.000 0.198 5811 E C 2.181 178.730 176.600 -0.084 0.000 1.024 5811 E CA 0.605 56.948 56.400 -0.095 0.000 0.861 5811 E CB -0.190 29.463 29.700 -0.080 0.000 0.788 5811 E HN 0.305 nan 8.360 nan 0.000 0.521 5812 V N 0.863 120.722 119.914 -0.092 0.000 2.759 5812 V HA -0.187 3.933 4.120 -0.001 0.000 0.256 5812 V C 1.780 177.830 176.094 -0.073 0.000 1.080 5812 V CA 0.908 63.161 62.300 -0.079 0.000 1.101 5812 V CB -0.164 31.608 31.823 -0.084 0.000 0.698 5812 V HN 0.127 nan 8.190 nan 0.000 0.477 5813 I N 0.495 121.017 120.570 -0.080 0.000 2.296 5813 I HA 0.018 4.187 4.170 -0.001 0.000 0.242 5813 I C 0.129 176.208 176.117 -0.063 0.000 1.087 5813 I CA 1.185 62.442 61.300 -0.071 0.000 1.393 5813 I CB -2.735 35.221 38.000 -0.074 0.000 1.093 5813 I HN 0.307 nan 8.210 nan 0.000 0.421 5814 P HA -0.161 nan 4.420 nan 0.000 0.216 5814 P C 1.826 179.094 177.300 -0.053 0.000 1.150 5814 P CA 1.424 64.489 63.100 -0.058 0.000 0.843 5814 P CB -0.094 31.567 31.700 -0.065 0.000 0.787 5815 R N -0.627 119.840 120.500 -0.055 0.000 2.052 5815 R HA -0.013 4.327 4.340 -0.001 0.000 0.226 5815 R C 1.931 178.202 176.300 -0.048 0.000 1.145 5815 R CA 1.993 58.064 56.100 -0.049 0.000 0.952 5815 R CB -1.290 28.980 30.300 -0.049 0.000 0.847 5815 R HN 0.057 nan 8.270 nan 0.000 0.431 5816 T N 2.608 117.131 114.554 -0.051 0.000 2.833 5816 T HA -0.137 4.212 4.350 -0.001 0.000 0.269 5816 T C 1.724 176.391 174.700 -0.054 0.000 1.054 5816 T CA 1.138 63.207 62.100 -0.050 0.000 1.135 5816 T CB -0.219 68.619 68.868 -0.051 0.000 0.869 5816 T HN 0.113 nan 8.240 nan 0.000 0.466 5817 L N 1.608 122.797 121.223 -0.057 0.000 1.994 5817 L HA 0.076 4.415 4.340 -0.001 0.000 0.208 5817 L C 2.617 179.447 176.870 -0.068 0.000 1.071 5817 L CA 2.045 56.847 54.840 -0.065 0.000 0.745 5817 L CB -1.064 40.958 42.059 -0.061 0.000 0.892 5817 L HN 0.206 nan 8.230 nan 0.000 0.431 5818 A N -1.178 121.608 122.820 -0.057 0.000 2.019 5818 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 5818 A C 2.210 179.764 177.584 -0.050 0.000 1.164 5818 A CA 1.649 53.654 52.037 -0.053 0.000 0.644 5818 A CB -0.632 18.343 19.000 -0.042 0.000 0.805 5818 A HN 0.574 nan 8.150 nan 0.000 0.449 5819 E N 0.581 120.752 120.200 -0.048 0.000 2.072 5819 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 5819 E C 1.705 178.277 176.600 -0.047 0.000 0.985 5819 E CA 1.447 57.821 56.400 -0.043 0.000 0.801 5819 E CB -0.162 29.513 29.700 -0.041 0.000 0.750 5819 E HN 0.548 nan 8.360 nan 0.000 0.452 5820 N N -0.051 118.616 118.700 -0.055 0.000 2.309 5820 N HA -0.091 4.649 4.740 -0.001 0.000 0.182 5820 N C 1.272 176.740 175.510 -0.071 0.000 1.018 5820 N CA 1.141 54.155 53.050 -0.061 0.000 0.876 5820 N CB -0.253 38.194 38.487 -0.067 0.000 0.972 5820 N HN 0.246 nan 8.380 nan 0.000 0.434 5821 A N -0.077 122.696 122.820 -0.079 0.000 2.119 5821 A HA 0.315 4.634 4.320 -0.001 0.000 0.216 5821 A C 1.482 179.030 177.584 -0.060 0.000 1.152 5821 A CA 1.033 53.018 52.037 -0.086 0.000 0.708 5821 A CB -0.396 18.547 19.000 -0.096 0.000 0.805 5821 A HN 0.309 nan 8.150 nan 0.000 0.460 5822 G N -1.276 107.495 108.800 -0.048 0.000 2.149 5822 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.235 5822 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.235 5822 G C -0.032 174.849 174.900 -0.030 0.000 1.018 5822 G CA 0.342 45.420 45.100 -0.036 0.000 0.728 5822 G HN 0.443 nan 8.290 nan 0.000 0.508 5823 L N -0.213 120.990 121.223 -0.033 0.000 2.387 5823 L HA 0.504 4.843 4.340 -0.001 0.000 0.266 5823 L C 0.540 177.395 176.870 -0.024 0.000 1.059 5823 L CA -1.115 53.709 54.840 -0.027 0.000 0.801 5823 L CB 0.781 42.822 42.059 -0.029 0.000 1.223 5823 L HN 0.099 nan 8.230 nan 0.000 0.456 5824 D N 0.801 121.189 120.400 -0.019 0.000 2.363 5824 D HA 0.085 4.725 4.640 -0.001 0.000 0.263 5824 D C 0.748 177.035 176.300 -0.021 0.000 1.258 5824 D CA 0.171 54.160 54.000 -0.018 0.000 0.907 5824 D CB 1.742 42.533 40.800 -0.014 0.000 1.107 5824 D HN 0.629 nan 8.370 nan 0.000 0.495 5825 A N 5.316 128.122 122.820 -0.023 0.000 1.940 5825 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 5825 A C 2.071 179.640 177.584 -0.024 0.000 1.176 5825 A CA 0.944 52.966 52.037 -0.026 0.000 0.631 5825 A CB -0.179 18.805 19.000 -0.027 0.000 0.814 5825 A HN 0.698 nan 8.150 nan 0.000 0.446 5826 I N -0.710 119.848 120.570 -0.020 0.000 2.296 5826 I HA -0.119 4.050 4.170 -0.001 0.000 0.242 5826 I C 2.436 178.544 176.117 -0.015 0.000 1.087 5826 I CA 1.583 62.873 61.300 -0.018 0.000 1.393 5826 I CB -1.524 36.467 38.000 -0.015 0.000 1.093 5826 I HN 0.563 nan 8.210 nan 0.000 0.421 5827 E N 1.256 121.448 120.200 -0.013 0.000 2.077 5827 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 5827 E C 2.326 178.921 176.600 -0.010 0.000 0.989 5827 E CA 1.160 57.554 56.400 -0.010 0.000 0.800 5827 E CB 0.178 29.873 29.700 -0.008 0.000 0.746 5827 E HN 0.209 nan 8.360 nan 0.000 0.452 5828 I N 0.876 121.438 120.570 -0.013 0.000 2.127 5828 I HA -0.273 3.896 4.170 -0.001 0.000 0.241 5828 I C 2.416 178.525 176.117 -0.014 0.000 1.075 5828 I CA 1.014 62.306 61.300 -0.013 0.000 1.334 5828 I CB -0.984 37.005 38.000 -0.019 0.000 1.040 5828 I HN 0.275 nan 8.210 nan 0.000 0.405 5829 L N 0.011 121.222 121.223 -0.020 0.000 2.131 5829 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 5829 L C 2.541 179.400 176.870 -0.019 0.000 1.092 5829 L CA 1.254 56.079 54.840 -0.025 0.000 0.759 5829 L CB -0.953 41.088 42.059 -0.031 0.000 0.903 5829 L HN 0.004 nan 8.230 nan 0.000 0.435 5830 V N -1.153 118.753 119.914 -0.013 0.000 2.323 5830 V HA -0.237 3.882 4.120 -0.001 0.000 0.244 5830 V C 2.488 178.582 176.094 0.001 0.000 1.041 5830 V CA 1.379 63.675 62.300 -0.006 0.000 1.025 5830 V CB -0.392 31.428 31.823 -0.005 0.000 0.656 5830 V HN 0.301 nan 8.190 nan 0.000 0.451 5831 K N -0.186 120.215 120.400 0.001 0.000 2.155 5831 K HA -0.030 4.290 4.320 -0.001 0.000 0.203 5831 K C 1.864 178.473 176.600 0.015 0.000 1.052 5831 K CA 0.853 57.144 56.287 0.007 0.000 0.948 5831 K CB -0.438 32.065 32.500 0.005 0.000 0.728 5831 K HN 0.313 nan 8.250 nan 0.000 0.448 5832 V N 0.507 120.428 119.914 0.012 0.000 2.346 5832 V HA -0.156 3.963 4.120 -0.001 0.000 0.244 5832 V C 2.064 178.184 176.094 0.043 0.000 1.037 5832 V CA 1.530 63.844 62.300 0.023 0.000 1.029 5832 V CB -0.296 31.528 31.823 0.002 0.000 0.663 5832 V HN 0.224 nan 8.190 nan 0.000 0.454 5833 R N 0.154 120.664 120.500 0.017 0.000 2.115 5833 R HA -0.055 4.284 4.340 -0.001 0.000 0.230 5833 R C 2.390 178.726 176.300 0.061 0.000 1.111 5833 R CA 1.324 57.438 56.100 0.024 0.000 0.976 5833 R CB -0.491 29.801 30.300 -0.013 0.000 0.870 5833 R HN 0.534 nan 8.270 nan 0.000 0.445 5834 A N 1.272 124.115 122.820 0.039 0.000 1.873 5834 A HA -0.064 4.256 4.320 -0.001 0.000 0.215 5834 A C 2.364 179.972 177.584 0.040 0.000 1.186 5834 A CA 1.551 53.608 52.037 0.034 0.000 0.616 5834 A CB -0.609 18.402 19.000 0.019 0.000 0.823 5834 A HN 0.365 nan 8.150 nan 0.000 0.442 5835 A N -1.069 121.778 122.820 0.045 0.000 1.933 5835 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 5835 A C 2.005 179.616 177.584 0.044 0.000 1.175 5835 A CA 2.070 54.130 52.037 0.037 0.000 0.628 5835 A CB -0.856 18.166 19.000 0.036 0.000 0.814 5835 A HN 0.781 nan 8.150 nan 0.000 0.444 5836 H N -0.206 118.860 119.070 -0.007 0.000 2.326 5836 H HA 0.053 4.609 4.556 -0.001 0.000 0.301 5836 H C 2.216 177.540 175.328 -0.008 0.000 1.081 5836 H CA 1.972 58.015 56.048 -0.008 0.000 1.334 5836 H CB -0.198 29.557 29.762 -0.012 0.000 1.385 5836 H HN 0.388 nan 8.280 nan 0.000 0.504 5837 A N -0.638 122.244 122.820 0.104 0.000 1.908 5837 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 5837 A C 2.569 180.141 177.584 -0.019 0.000 1.181 5837 A CA 2.062 54.131 52.037 0.053 0.000 0.627 5837 A CB -1.065 17.973 19.000 0.063 0.000 0.818 5837 A HN 0.515 nan 8.150 nan 0.000 0.445 5838 S N -0.641 115.048 115.700 -0.019 0.000 2.341 5838 S HA -0.081 4.388 4.470 -0.001 0.000 0.216 5838 S C 1.876 176.447 174.600 -0.048 0.000 1.034 5838 S CA 1.060 59.245 58.200 -0.025 0.000 0.964 5838 S CB -0.397 62.796 63.200 -0.011 0.000 0.882 5838 S HN 0.597 nan 8.310 nan 0.000 0.469 5839 N N 1.085 119.750 118.700 -0.058 0.000 2.354 5839 N HA 0.231 4.971 4.740 -0.001 0.000 0.179 5839 N C 1.064 176.508 175.510 -0.109 0.000 1.021 5839 N CA 1.018 54.029 53.050 -0.065 0.000 0.887 5839 N CB -0.129 38.331 38.487 -0.044 0.000 0.974 5839 N HN 0.623 nan 8.380 nan 0.000 0.437 5840 G N 0.670 109.347 108.800 -0.206 0.000 2.498 5840 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.651 5840 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.651 5840 G C 0.145 174.785 174.900 -0.433 0.000 1.284 5840 G CA 0.043 44.960 45.100 -0.304 0.000 0.950 5840 G HN 0.349 nan 8.290 nan 0.000 0.511 5841 N N -0.309 118.191 118.700 -0.335 0.000 2.446 5841 N HA 0.004 4.743 4.740 -0.001 0.000 0.179 5841 N C 1.592 177.099 175.510 -0.006 0.000 1.054 5841 N CA 1.610 54.600 53.050 -0.101 0.000 0.905 5841 N CB -0.077 38.454 38.487 0.073 0.000 0.973 5841 N HN 0.883 nan 8.380 nan 0.000 0.448 5842 K N -1.001 119.377 120.400 -0.037 0.000 2.374 5842 K HA 0.265 4.585 4.320 -0.001 0.000 0.196 5842 K C -0.321 176.272 176.600 -0.013 0.000 1.023 5842 K CA -0.014 56.265 56.287 -0.012 0.000 1.103 5842 K CB 0.078 32.570 32.500 -0.015 0.000 0.848 5842 K HN 0.118 nan 8.250 nan 0.000 0.528 5843 C N 1.520 120.804 119.300 -0.027 0.000 3.114 5843 C HA 0.688 5.148 4.460 -0.001 0.000 0.215 5843 C C 0.142 175.132 174.990 -0.000 0.000 1.759 5843 C CA -0.706 58.301 59.018 -0.017 0.000 1.455 5843 C CB -0.569 27.150 27.740 -0.035 0.000 2.528 5843 C HN 0.599 nan 8.230 nan 0.000 0.511 5844 A N 0.077 122.917 122.820 0.034 0.000 2.593 5844 A HA 1.004 5.324 4.320 -0.001 0.000 0.304 5844 A C -0.075 177.554 177.584 0.075 0.000 1.233 5844 A CA 0.222 52.307 52.037 0.079 0.000 0.661 5844 A CB 0.342 19.452 19.000 0.183 0.000 1.338 5844 A HN 1.915 nan 8.150 nan 0.000 0.495 5845 G N -2.106 106.740 108.800 0.077 0.000 2.699 5845 G HA2 0.414 4.373 3.960 -0.001 0.000 0.686 5845 G HA3 0.414 4.373 3.960 -0.001 0.000 0.686 5845 G C -0.982 173.940 174.900 0.037 0.000 1.301 5845 G CA -0.096 45.032 45.100 0.048 0.000 0.816 5845 G HN 2.063 nan 8.290 nan 0.000 0.595 5846 L N 0.538 121.776 121.223 0.026 0.000 2.289 5846 L HA 0.773 5.113 4.340 -0.001 0.000 0.285 5846 L C 0.181 177.075 176.870 0.039 0.000 1.049 5846 L CA -1.026 53.827 54.840 0.021 0.000 0.804 5846 L CB 1.601 43.659 42.059 -0.002 0.000 1.195 5846 L HN 0.721 nan 8.230 nan 0.000 0.428 5847 N N 2.997 121.729 118.700 0.054 0.000 2.527 5847 N HA 0.212 4.951 4.740 -0.001 0.000 0.236 5847 N C 0.766 176.314 175.510 0.064 0.000 0.999 5847 N CA -0.222 52.891 53.050 0.105 0.000 0.935 5847 N CB 1.055 39.616 38.487 0.124 0.000 1.132 5847 N HN 0.525 nan 8.380 nan 0.000 0.511 5848 V N 1.322 121.228 119.914 -0.015 0.000 2.970 5848 V HA 0.023 4.142 4.120 -0.001 0.000 0.260 5848 V C 1.344 177.340 176.094 -0.164 0.000 1.100 5848 V CA 1.121 63.341 62.300 -0.134 0.000 1.122 5848 V CB -1.155 30.517 31.823 -0.251 0.000 0.721 5848 V HN 0.398 nan 8.190 nan 0.000 0.483 5849 F N 2.703 122.650 119.950 -0.004 0.000 2.234 5849 F HA -0.020 4.506 4.527 -0.001 0.000 0.299 5849 F C 2.596 178.394 175.800 -0.003 0.000 1.087 5849 F CA 1.870 59.868 58.000 -0.003 0.000 1.340 5849 F CB -0.570 38.429 39.000 -0.002 0.000 1.031 5849 F HN 0.424 nan 8.300 nan 0.000 0.500 5850 T N -4.556 110.098 114.554 0.167 0.000 2.985 5850 T HA 0.415 4.765 4.350 -0.001 0.000 0.254 5850 T C 1.429 176.156 174.700 0.046 0.000 1.021 5850 T CA 0.370 62.524 62.100 0.089 0.000 0.957 5850 T CB 0.345 69.258 68.868 0.075 0.000 1.047 5850 T HN 0.344 nan 8.240 nan 0.000 0.511 5851 G N 1.169 109.988 108.800 0.032 0.000 2.291 5851 G HA2 0.288 4.248 3.960 -0.001 0.000 0.271 5851 G HA3 0.288 4.248 3.960 -0.001 0.000 0.271 5851 G C 0.025 174.931 174.900 0.010 0.000 1.099 5851 G CA -0.220 44.883 45.100 0.005 0.000 0.919 5851 G HN 1.401 nan 8.290 nan 0.000 0.496 5852 A N -1.350 121.481 122.820 0.019 0.000 2.604 5852 A HA 0.883 5.203 4.320 -0.001 0.000 0.295 5852 A C 0.027 177.625 177.584 0.023 0.000 1.067 5852 A CA 0.096 52.144 52.037 0.018 0.000 0.683 5852 A CB 1.675 20.688 19.000 0.021 0.000 1.281 5852 A HN 1.783 nan 8.150 nan 0.000 0.407 5853 V N 1.861 121.786 119.914 0.019 0.000 2.599 5853 V HA 0.429 4.548 4.120 -0.001 0.000 0.300 5853 V C -0.224 175.887 176.094 0.027 0.000 1.034 5853 V CA 0.860 63.173 62.300 0.023 0.000 1.115 5853 V CB 0.542 32.378 31.823 0.021 0.000 0.934 5853 V HN 0.873 nan 8.190 nan 0.000 0.485 5854 E N 3.675 123.895 120.200 0.033 0.000 2.458 5854 E HA 0.315 4.665 4.350 -0.001 0.000 0.278 5854 E C -1.426 175.193 176.600 0.031 0.000 1.004 5854 E CA -0.716 55.703 56.400 0.032 0.000 0.823 5854 E CB 1.472 31.196 29.700 0.039 0.000 1.396 5854 E HN 0.715 nan 8.360 nan 0.000 0.463 5855 D N 1.922 122.336 120.400 0.024 0.000 2.393 5855 D HA 0.099 4.738 4.640 -0.001 0.000 0.232 5855 D C 0.927 177.241 176.300 0.023 0.000 1.192 5855 D CA -0.153 53.859 54.000 0.020 0.000 0.882 5855 D CB 0.542 41.348 40.800 0.010 0.000 1.038 5855 D HN 0.214 nan 8.370 nan 0.000 0.499 5856 M N 2.189 121.807 119.600 0.031 0.000 2.159 5856 M HA -0.144 4.335 4.480 -0.001 0.000 0.263 5856 M C 2.346 178.659 176.300 0.023 0.000 1.063 5856 M CA 0.638 55.959 55.300 0.034 0.000 1.110 5856 M CB -1.180 31.445 32.600 0.042 0.000 1.374 5856 M HN 0.535 nan 8.290 nan 0.000 0.411 5857 C N 0.712 120.024 119.300 0.019 0.000 2.453 5857 C HA -0.164 4.295 4.460 -0.001 0.000 0.277 5857 C C 2.688 177.681 174.990 0.005 0.000 1.262 5857 C CA 1.357 60.382 59.018 0.012 0.000 1.718 5857 C CB -0.914 26.832 27.740 0.010 0.000 2.031 5857 C HN 0.638 nan 8.230 nan 0.000 0.480 5858 E N 0.157 120.360 120.200 0.004 0.000 2.118 5858 E HA -0.203 4.146 4.350 -0.001 0.000 0.195 5858 E C 1.391 177.988 176.600 -0.004 0.000 0.992 5858 E CA 1.347 57.747 56.400 -0.000 0.000 0.804 5858 E CB -0.208 29.492 29.700 0.000 0.000 0.741 5858 E HN 0.661 nan 8.360 nan 0.000 0.458 5859 N N -0.416 118.282 118.700 -0.002 0.000 2.461 5859 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 5859 N C 0.769 176.267 175.510 -0.020 0.000 1.134 5859 N CA 0.935 53.977 53.050 -0.013 0.000 0.878 5859 N CB 0.909 39.391 38.487 -0.007 0.000 0.972 5859 N HN 0.343 nan 8.380 nan 0.000 0.456 5860 G N 0.460 109.254 108.800 -0.010 0.000 2.147 5860 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 5860 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 5860 G C -0.001 174.896 174.900 -0.004 0.000 1.005 5860 G CA 0.048 45.142 45.100 -0.010 0.000 0.713 5860 G HN 0.197 nan 8.290 nan 0.000 0.515 5861 V N 1.479 121.397 119.914 0.007 0.000 2.222 5861 V HA 0.504 4.623 4.120 -0.001 0.000 0.253 5861 V C 0.829 176.938 176.094 0.026 0.000 1.210 5861 V CA 0.158 62.472 62.300 0.024 0.000 1.079 5861 V CB 0.410 32.261 31.823 0.047 0.000 1.265 5861 V HN 1.048 nan 8.190 nan 0.000 0.494 5862 V N 1.928 121.853 119.914 0.020 0.000 3.130 5862 V HA 0.939 5.058 4.120 -0.001 0.000 0.310 5862 V C -0.761 175.344 176.094 0.018 0.000 1.158 5862 V CA -0.909 61.402 62.300 0.019 0.000 1.029 5862 V CB 2.437 34.268 31.823 0.014 0.000 1.057 5862 V HN 0.777 nan 8.190 nan 0.000 0.436 5863 E N 0.959 121.169 120.200 0.017 0.000 2.390 5863 E HA 0.658 5.008 4.350 -0.001 0.000 0.277 5863 E C -3.278 173.330 176.600 0.013 0.000 0.939 5863 E CA -2.370 54.039 56.400 0.015 0.000 0.769 5863 E CB 2.338 32.047 29.700 0.015 0.000 1.251 5863 E HN 0.453 nan 8.360 nan 0.000 0.450 5864 P HA -0.046 nan 4.420 nan 0.000 0.266 5864 P C 0.519 177.826 177.300 0.013 0.000 1.195 5864 P CA -0.339 62.768 63.100 0.012 0.000 0.768 5864 P CB 0.507 32.213 31.700 0.010 0.000 0.838 5865 L N 4.471 125.702 121.223 0.014 0.000 2.012 5865 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 5865 L C 2.418 179.297 176.870 0.016 0.000 1.073 5865 L CA 1.865 56.715 54.840 0.016 0.000 0.748 5865 L CB -0.835 41.235 42.059 0.017 0.000 0.891 5865 L HN 0.311 nan 8.230 nan 0.000 0.431 5866 R N -0.968 119.540 120.500 0.014 0.000 2.133 5866 R HA -0.187 4.153 4.340 -0.001 0.000 0.247 5866 R C 2.030 178.337 176.300 0.012 0.000 1.151 5866 R CA 2.132 58.240 56.100 0.013 0.000 0.971 5866 R CB -0.405 29.902 30.300 0.012 0.000 0.866 5866 R HN 0.395 nan 8.270 nan 0.000 0.447 5867 V N 1.042 120.962 119.914 0.011 0.000 2.295 5867 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 5867 V C 2.332 178.431 176.094 0.007 0.000 1.049 5867 V CA 2.082 64.387 62.300 0.008 0.000 1.024 5867 V CB -0.482 31.346 31.823 0.008 0.000 0.648 5867 V HN 0.283 nan 8.190 nan 0.000 0.447 5868 K N 0.790 121.196 120.400 0.009 0.000 2.103 5868 K HA -0.123 4.197 4.320 -0.001 0.000 0.204 5868 K C 2.224 178.832 176.600 0.014 0.000 1.052 5868 K CA 1.930 58.222 56.287 0.008 0.000 0.945 5868 K CB -0.668 31.838 32.500 0.011 0.000 0.722 5868 K HN 0.678 nan 8.250 nan 0.000 0.443 5869 T N -2.126 112.439 114.554 0.019 0.000 2.942 5869 T HA -0.072 4.277 4.350 -0.001 0.000 0.265 5869 T C 1.875 176.591 174.700 0.026 0.000 1.062 5869 T CA 0.818 62.935 62.100 0.027 0.000 1.139 5869 T CB -0.154 68.731 68.868 0.027 0.000 0.883 5869 T HN 0.104 nan 8.240 nan 0.000 0.468 5870 Q N 1.902 121.713 119.800 0.019 0.000 2.123 5870 Q HA 0.258 4.598 4.340 -0.001 0.000 0.199 5870 Q C 2.417 178.427 176.000 0.015 0.000 0.966 5870 Q CA 1.726 57.540 55.803 0.017 0.000 0.845 5870 Q CB -0.996 27.750 28.738 0.013 0.000 0.907 5870 Q HN 0.626 nan 8.270 nan 0.000 0.439 5871 A N 0.577 123.402 122.820 0.009 0.000 1.908 5871 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 5871 A C 1.946 179.532 177.584 0.003 0.000 1.181 5871 A CA 1.645 53.682 52.037 -0.001 0.000 0.627 5871 A CB -0.720 18.273 19.000 -0.012 0.000 0.818 5871 A HN 0.453 nan 8.150 nan 0.000 0.445 5872 I N -0.472 120.109 120.570 0.019 0.000 2.202 5872 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 5872 I C 2.645 178.806 176.117 0.072 0.000 1.091 5872 I CA 1.935 63.266 61.300 0.051 0.000 1.368 5872 I CB -1.434 36.615 38.000 0.082 0.000 1.058 5872 I HN 0.470 nan 8.210 nan 0.000 0.410 5873 Q N 1.263 121.096 119.800 0.055 0.000 2.030 5873 Q HA -0.161 4.178 4.340 -0.001 0.000 0.204 5873 Q C 2.412 178.441 176.000 0.048 0.000 0.986 5873 Q CA 2.592 58.426 55.803 0.052 0.000 0.843 5873 Q CB -0.300 28.460 28.738 0.037 0.000 0.904 5873 Q HN 0.345 nan 8.270 nan 0.000 0.420 5874 S N 0.012 115.733 115.700 0.034 0.000 2.368 5874 S HA -0.097 4.373 4.470 -0.001 0.000 0.225 5874 S C 1.902 176.521 174.600 0.031 0.000 1.030 5874 S CA 0.971 59.188 58.200 0.028 0.000 0.999 5874 S CB -0.630 62.580 63.200 0.017 0.000 0.844 5874 S HN 0.595 nan 8.310 nan 0.000 0.459 5875 A N 1.568 124.404 122.820 0.025 0.000 1.877 5875 A HA 0.126 4.446 4.320 -0.001 0.000 0.216 5875 A C 2.353 179.968 177.584 0.053 0.000 1.186 5875 A CA 1.710 53.757 52.037 0.016 0.000 0.620 5875 A CB -1.108 17.877 19.000 -0.025 0.000 0.822 5875 A HN 0.508 nan 8.150 nan 0.000 0.443 5876 A N 0.736 123.615 122.820 0.097 0.000 1.898 5876 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 5876 A C 1.996 179.660 177.584 0.133 0.000 1.181 5876 A CA 1.739 53.877 52.037 0.168 0.000 0.620 5876 A CB -0.639 18.485 19.000 0.206 0.000 0.819 5876 A HN 0.786 nan 8.150 nan 0.000 0.442 5877 E N 0.285 120.539 120.200 0.091 0.000 2.208 5877 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 5877 E C 1.820 178.459 176.600 0.065 0.000 0.988 5877 E CA 1.397 57.840 56.400 0.072 0.000 0.828 5877 E CB -0.345 29.386 29.700 0.052 0.000 0.763 5877 E HN 0.633 nan 8.360 nan 0.000 0.478 5878 S N 0.287 116.023 115.700 0.061 0.000 2.446 5878 S HA -0.037 4.432 4.470 -0.001 0.000 0.225 5878 S C 2.004 176.642 174.600 0.063 0.000 1.016 5878 S CA 0.947 59.177 58.200 0.050 0.000 0.943 5878 S CB -0.276 62.945 63.200 0.035 0.000 0.786 5878 S HN 0.205 nan 8.310 nan 0.000 0.508 5879 T N 2.293 116.900 114.554 0.089 0.000 2.737 5879 T HA -0.043 4.306 4.350 -0.001 0.000 0.265 5879 T C 1.737 176.519 174.700 0.136 0.000 1.038 5879 T CA 1.571 63.747 62.100 0.128 0.000 1.144 5879 T CB -0.384 68.601 68.868 0.196 0.000 0.866 5879 T HN 0.660 nan 8.240 nan 0.000 0.434 5880 E N 0.718 121.000 120.200 0.137 0.000 2.110 5880 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 5880 E C 2.231 178.869 176.600 0.063 0.000 0.988 5880 E CA 0.850 57.310 56.400 0.099 0.000 0.804 5880 E CB -0.210 29.545 29.700 0.092 0.000 0.745 5880 E HN 0.451 nan 8.360 nan 0.000 0.458 5881 M N 0.686 120.321 119.600 0.059 0.000 2.073 5881 M HA -0.234 4.245 4.480 -0.001 0.000 0.258 5881 M C 2.359 178.683 176.300 0.040 0.000 1.070 5881 M CA 1.599 56.925 55.300 0.044 0.000 1.103 5881 M CB -0.201 32.423 32.600 0.041 0.000 1.321 5881 M HN 0.338 nan 8.290 nan 0.000 0.405 5882 L N 0.527 121.777 121.223 0.045 0.000 2.012 5882 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 5882 L C 2.249 179.137 176.870 0.031 0.000 1.073 5882 L CA 1.451 56.313 54.840 0.038 0.000 0.748 5882 L CB -0.323 41.759 42.059 0.038 0.000 0.891 5882 L HN 0.419 nan 8.230 nan 0.000 0.431 5883 L N -0.685 120.559 121.223 0.034 0.000 2.131 5883 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 5883 L C 2.684 179.560 176.870 0.011 0.000 1.092 5883 L CA 1.131 55.980 54.840 0.015 0.000 0.759 5883 L CB -0.469 41.597 42.059 0.013 0.000 0.903 5883 L HN 0.246 nan 8.230 nan 0.000 0.435 5884 R N -0.201 120.312 120.500 0.022 0.000 2.189 5884 R HA 0.061 4.400 4.340 -0.001 0.000 0.218 5884 R C 0.435 176.746 176.300 0.019 0.000 1.074 5884 R CA 0.527 56.640 56.100 0.021 0.000 0.991 5884 R CB -0.072 30.242 30.300 0.025 0.000 0.883 5884 R HN 0.278 nan 8.270 nan 0.000 0.457 5885 I N 0.834 121.416 120.570 0.020 0.000 2.331 5885 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 5885 I C 0.265 176.392 176.117 0.017 0.000 0.998 5885 I CA 0.024 61.337 61.300 0.021 0.000 1.267 5885 I CB 1.519 39.535 38.000 0.028 0.000 1.386 5885 I HN -0.118 nan 8.210 nan 0.000 0.476 5886 D N 3.376 123.785 120.400 0.016 0.000 2.539 5886 D HA 0.111 4.750 4.640 -0.001 0.000 0.232 5886 D C -0.799 175.512 176.300 0.019 0.000 1.256 5886 D CA 0.238 54.245 54.000 0.011 0.000 0.810 5886 D CB 0.513 41.314 40.800 0.002 0.000 1.090 5886 D HN 0.432 nan 8.370 nan 0.000 0.519 5887 D N 0.037 120.451 120.400 0.023 0.000 2.861 5887 D HA 0.199 4.838 4.640 -0.001 0.000 0.216 5887 D C -1.363 174.952 176.300 0.024 0.000 1.323 5887 D CA -0.402 53.612 54.000 0.024 0.000 0.917 5887 D CB 1.901 42.712 40.800 0.018 0.000 1.582 5887 D HN -0.263 nan 8.370 nan 0.000 0.576 5888 V N 5.177 125.108 119.914 0.028 0.000 2.347 5888 V HA 0.477 4.597 4.120 -0.001 0.000 0.280 5888 V C 0.410 176.510 176.094 0.010 0.000 1.021 5888 V CA -0.551 61.761 62.300 0.021 0.000 0.847 5888 V CB 1.277 33.117 31.823 0.028 0.000 0.990 5888 V HN 0.477 nan 8.190 nan 0.000 0.444 5889 I N 4.913 125.485 120.570 0.003 0.000 2.371 5889 I HA 0.646 4.815 4.170 -0.001 0.000 0.282 5889 I C 0.395 176.507 176.117 -0.009 0.000 1.031 5889 I CA -0.210 61.090 61.300 -0.001 0.000 1.180 5889 I CB 1.293 39.294 38.000 0.001 0.000 1.336 5889 I HN 0.657 nan 8.210 nan 0.000 0.467 5890 A N 4.865 127.676 122.820 -0.015 0.000 2.337 5890 A HA 0.890 5.210 4.320 -0.001 0.000 0.329 5890 A C 0.107 177.680 177.584 -0.017 0.000 1.146 5890 A CA -0.499 51.524 52.037 -0.023 0.000 0.800 5890 A CB 1.205 20.182 19.000 -0.039 0.000 1.220 5890 A HN 0.718 nan 8.150 nan 0.000 0.472 5891 A N 1.765 124.575 122.820 -0.016 0.000 2.313 5891 A HA 0.547 4.867 4.320 -0.001 0.000 0.261 5891 A C 0.414 177.989 177.584 -0.014 0.000 1.090 5891 A CA -0.269 51.761 52.037 -0.013 0.000 0.807 5891 A CB -0.176 18.818 19.000 -0.010 0.000 1.055 5891 A HN 0.893 nan 8.150 nan 0.000 0.492 5892 E N 0.000 120.193 120.200 -0.011 0.000 2.725 5892 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 5892 E CA 0.000 56.394 56.400 -0.011 0.000 0.976 5892 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 5892 E HN 0.000 nan 8.360 nan 0.000 0.440