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 3izn_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 KATGANVITN DATA SEQUENCE IKDLSAQDLG 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 0.000 176.086 176.094 -0.014 0.000 1.182 5402 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 5402 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 5403 L N 2.891 124.104 121.223 -0.017 0.000 2.307 5403 L HA 0.564 4.904 4.340 0.000 0.000 0.282 5403 L C -2.217 174.641 176.870 -0.020 0.000 1.051 5403 L CA -1.513 53.315 54.840 -0.020 0.000 0.804 5403 L CB 0.751 42.794 42.059 -0.025 0.000 1.197 5403 L HN 0.163 nan 8.230 nan 0.000 0.431 5404 P HA 0.101 nan 4.420 nan 0.000 0.268 5404 P C -0.739 176.549 177.300 -0.021 0.000 1.204 5404 P CA -0.234 62.856 63.100 -0.017 0.000 0.768 5404 P CB 0.445 32.137 31.700 -0.015 0.000 0.842 5405 E N 2.205 122.393 120.200 -0.019 0.000 2.360 5405 E HA 0.050 4.400 4.350 0.000 0.000 0.269 5405 E C 0.564 177.153 176.600 -0.018 0.000 1.022 5405 E CA 0.123 56.511 56.400 -0.021 0.000 0.887 5405 E CB 0.291 29.981 29.700 -0.018 0.000 0.990 5405 E HN 0.514 nan 8.360 nan 0.000 0.426 5406 N N 1.051 119.740 118.700 -0.019 0.000 2.993 5406 N HA -0.147 4.593 4.740 0.000 0.000 0.171 5406 N C -0.738 174.766 175.510 -0.010 0.000 1.446 5406 N CA 0.703 53.746 53.050 -0.011 0.000 1.542 5406 N CB -0.481 38.002 38.487 -0.007 0.000 1.042 5406 N HN 0.321 nan 8.380 nan 0.000 0.638 5407 M N 1.523 121.113 119.600 -0.016 0.000 2.250 5407 M HA 0.298 4.778 4.480 0.000 0.000 0.344 5407 M C -0.002 176.279 176.300 -0.032 0.000 1.150 5407 M CA 0.333 55.624 55.300 -0.015 0.000 1.147 5407 M CB 0.906 33.496 32.600 -0.018 0.000 1.498 5407 M HN 0.044 nan 8.290 nan 0.000 0.461 5408 K N 1.892 122.282 120.400 -0.018 0.000 2.244 5408 K HA 0.584 4.904 4.320 0.000 0.000 0.260 5408 K C -0.499 176.051 176.600 -0.083 0.000 0.951 5408 K CA -0.636 55.608 56.287 -0.071 0.000 0.826 5408 K CB 2.405 34.931 32.500 0.044 0.000 1.108 5408 K HN 0.529 nan 8.250 nan 0.000 0.433 5409 R N 3.123 123.472 120.500 -0.251 0.000 2.532 5409 R HA 0.321 4.661 4.340 0.000 0.000 0.297 5409 R C -1.605 174.494 176.300 -0.337 0.000 0.984 5409 R CA -0.511 55.490 56.100 -0.164 0.000 0.884 5409 R CB 0.883 31.131 30.300 -0.087 0.000 1.182 5409 R HN 0.549 nan 8.270 nan 0.000 0.442 5410 Y N 3.285 123.589 120.300 0.006 0.000 2.562 5410 Y HA 0.570 5.120 4.550 -0.000 0.000 0.343 5410 Y C 0.232 176.132 175.900 0.001 0.000 1.025 5410 Y CA -0.869 57.234 58.100 0.004 0.000 1.082 5410 Y CB 2.436 40.901 38.460 0.008 0.000 1.264 5410 Y HN 0.307 nan 8.280 nan 0.000 0.478 5411 M N 0.545 120.236 119.600 0.152 0.000 2.593 5411 M HA 0.584 5.064 4.480 0.000 0.000 0.290 5411 M C 0.457 176.793 176.300 0.059 0.000 1.244 5411 M CA -0.334 55.012 55.300 0.076 0.000 0.857 5411 M CB 2.472 35.096 32.600 0.039 0.000 1.738 5411 M HN 0.889 nan 8.290 nan 0.000 0.461 5412 G N 2.017 110.833 108.800 0.026 0.000 2.556 5412 G HA2 -0.335 3.625 3.960 0.000 0.000 0.283 5412 G HA3 -0.335 3.625 3.960 0.000 0.000 0.283 5412 G C 0.505 175.399 174.900 -0.010 0.000 1.177 5412 G CA 0.791 45.891 45.100 -0.001 0.000 0.978 5412 G HN 0.988 nan 8.290 nan 0.000 0.554 5413 R N 0.510 121.002 120.500 -0.014 0.000 2.237 5413 R HA 0.064 4.404 4.340 0.000 0.000 0.219 5413 R C 1.553 177.840 176.300 -0.021 0.000 1.080 5413 R CA 2.067 58.152 56.100 -0.025 0.000 0.995 5413 R CB -0.269 30.017 30.300 -0.024 0.000 0.875 5413 R HN 0.495 nan 8.270 nan 0.000 0.462 5414 D N 1.434 121.842 120.400 0.014 0.000 2.183 5414 D HA 0.007 4.647 4.640 0.000 0.000 0.205 5414 D C 1.959 178.247 176.300 -0.020 0.000 0.962 5414 D CA 1.350 55.358 54.000 0.013 0.000 0.849 5414 D CB -0.011 40.885 40.800 0.161 0.000 0.978 5414 D HN 0.392 nan 8.370 nan 0.000 0.488 5415 A N 1.156 124.016 122.820 0.067 0.000 1.902 5415 A HA -0.183 4.137 4.320 0.000 0.000 0.217 5415 A C 2.140 179.723 177.584 -0.003 0.000 1.181 5415 A CA 1.200 53.280 52.037 0.073 0.000 0.623 5415 A CB -0.284 18.764 19.000 0.080 0.000 0.818 5415 A HN 0.052 nan 8.150 nan 0.000 0.443 5416 Q N -0.721 119.063 119.800 -0.027 0.000 2.123 5416 Q HA -0.106 4.234 4.340 0.000 0.000 0.199 5416 Q C 2.231 178.184 176.000 -0.079 0.000 0.966 5416 Q CA 1.449 57.222 55.803 -0.050 0.000 0.845 5416 Q CB -0.398 28.306 28.738 -0.057 0.000 0.907 5416 Q HN 0.769 nan 8.270 nan 0.000 0.439 5417 R N -0.096 120.348 120.500 -0.094 0.000 2.070 5417 R HA -0.081 4.259 4.340 0.000 0.000 0.233 5417 R C 2.167 178.372 176.300 -0.158 0.000 1.137 5417 R CA 1.306 57.335 56.100 -0.117 0.000 0.945 5417 R CB 0.029 30.260 30.300 -0.115 0.000 0.845 5417 R HN 0.132 nan 8.270 nan 0.000 0.430 5418 M N 0.818 120.288 119.600 -0.217 0.000 2.132 5418 M HA -0.105 4.375 4.480 0.000 0.000 0.263 5418 M C 1.732 177.907 176.300 -0.208 0.000 1.065 5418 M CA 1.449 56.596 55.300 -0.255 0.000 1.122 5418 M CB -1.135 31.209 32.600 -0.426 0.000 1.365 5418 M HN 0.165 nan 8.290 nan 0.000 0.411 5419 N N 0.660 119.281 118.700 -0.133 0.000 2.216 5419 N HA 0.002 4.742 4.740 0.000 0.000 0.183 5419 N C 1.850 177.221 175.510 -0.232 0.000 1.017 5419 N CA 1.102 54.066 53.050 -0.143 0.000 0.861 5419 N CB -0.260 38.271 38.487 0.073 0.000 0.986 5419 N HN 0.364 nan 8.380 nan 0.000 0.428 5420 I N 0.318 120.800 120.570 -0.148 0.000 2.252 5420 I HA -0.201 3.969 4.170 0.000 0.000 0.245 5420 I C 1.661 177.689 176.117 -0.148 0.000 1.102 5420 I CA 0.549 61.773 61.300 -0.126 0.000 1.385 5420 I CB -0.093 37.850 38.000 -0.096 0.000 1.064 5420 I HN 0.020 nan 8.210 nan 0.000 0.414 5421 L N 0.855 121.981 121.223 -0.162 0.000 2.127 5421 L HA -0.194 4.146 4.340 0.000 0.000 0.211 5421 L C 2.679 179.449 176.870 -0.166 0.000 1.089 5421 L CA 1.981 56.735 54.840 -0.144 0.000 0.757 5421 L CB -1.247 40.730 42.059 -0.137 0.000 0.899 5421 L HN 0.212 nan 8.230 nan 0.000 0.434 5422 A N -0.668 121.992 122.820 -0.268 0.000 1.908 5422 A HA -0.139 4.181 4.320 0.000 0.000 0.218 5422 A C 2.435 179.918 177.584 -0.168 0.000 1.181 5422 A CA 1.789 53.652 52.037 -0.290 0.000 0.627 5422 A CB -1.289 17.302 19.000 -0.681 0.000 0.818 5422 A HN 0.441 nan 8.150 nan 0.000 0.445 5423 G N -0.942 107.765 108.800 -0.154 0.000 2.402 5423 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 5423 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 5423 G C 1.727 176.588 174.900 -0.064 0.000 1.162 5423 G CA 0.860 45.911 45.100 -0.081 0.000 0.777 5423 G HN 0.450 nan 8.290 nan 0.000 0.539 5424 R N 0.502 120.958 120.500 -0.074 0.000 2.105 5424 R HA -0.025 4.315 4.340 0.000 0.000 0.239 5424 R C 2.510 178.779 176.300 -0.052 0.000 1.135 5424 R CA 1.121 57.186 56.100 -0.058 0.000 0.967 5424 R CB -0.475 29.788 30.300 -0.060 0.000 0.861 5424 R HN 0.456 nan 8.270 nan 0.000 0.442 5425 I N 0.812 121.346 120.570 -0.059 0.000 2.226 5425 I HA -0.307 3.863 4.170 0.000 0.000 0.245 5425 I C 2.214 178.310 176.117 -0.035 0.000 1.100 5425 I CA 0.843 62.115 61.300 -0.046 0.000 1.374 5425 I CB -0.229 37.741 38.000 -0.050 0.000 1.057 5425 I HN 0.113 nan 8.210 nan 0.000 0.413 5426 I N 1.028 121.578 120.570 -0.034 0.000 2.226 5426 I HA -0.255 3.915 4.170 0.000 0.000 0.245 5426 I C 2.850 178.954 176.117 -0.022 0.000 1.100 5426 I CA 1.692 62.978 61.300 -0.023 0.000 1.374 5426 I CB -1.559 36.431 38.000 -0.018 0.000 1.057 5426 I HN 0.183 nan 8.210 nan 0.000 0.413 5427 A N 0.451 123.255 122.820 -0.027 0.000 1.902 5427 A HA -0.197 4.123 4.320 0.000 0.000 0.217 5427 A C 2.231 179.799 177.584 -0.027 0.000 1.181 5427 A CA 1.444 53.465 52.037 -0.027 0.000 0.623 5427 A CB -0.609 18.373 19.000 -0.031 0.000 0.818 5427 A HN 0.470 nan 8.150 nan 0.000 0.443 5428 E N -0.897 119.286 120.200 -0.028 0.000 2.204 5428 E HA -0.106 4.244 4.350 0.000 0.000 0.194 5428 E C 1.946 178.532 176.600 -0.023 0.000 0.989 5428 E CA 1.397 57.781 56.400 -0.027 0.000 0.824 5428 E CB -0.185 29.498 29.700 -0.028 0.000 0.756 5428 E HN 0.629 nan 8.360 nan 0.000 0.477 5429 T N 0.693 115.234 114.554 -0.021 0.000 2.698 5429 T HA -0.113 4.237 4.350 0.000 0.000 0.260 5429 T C 2.174 176.864 174.700 -0.016 0.000 1.044 5429 T CA 1.544 63.634 62.100 -0.017 0.000 1.149 5429 T CB -0.151 68.709 68.868 -0.014 0.000 0.864 5429 T HN 0.190 nan 8.240 nan 0.000 0.419 5430 V N 2.135 122.039 119.914 -0.016 0.000 3.129 5430 V HA 0.031 4.151 4.120 0.000 0.000 0.259 5430 V C 2.320 178.403 176.094 -0.019 0.000 1.116 5430 V CA 1.079 63.370 62.300 -0.015 0.000 1.127 5430 V CB -1.050 30.766 31.823 -0.013 0.000 0.742 5430 V HN 0.478 nan 8.190 nan 0.000 0.474 5431 R N 2.772 123.259 120.500 -0.022 0.000 2.249 5431 R HA -0.134 4.206 4.340 0.000 0.000 0.230 5431 R C 2.015 178.299 176.300 -0.027 0.000 1.121 5431 R CA 1.778 57.862 56.100 -0.026 0.000 0.997 5431 R CB -1.208 29.075 30.300 -0.029 0.000 0.867 5431 R HN 0.706 nan 8.270 nan 0.000 0.465 5432 S N 0.294 115.980 115.700 -0.024 0.000 2.515 5432 S HA -0.084 4.386 4.470 0.000 0.000 0.231 5432 S C 1.733 176.318 174.600 -0.025 0.000 0.987 5432 S CA 0.865 59.050 58.200 -0.024 0.000 0.936 5432 S CB -0.056 63.132 63.200 -0.020 0.000 0.766 5432 S HN 0.588 nan 8.310 nan 0.000 0.528 5433 T N -0.685 113.855 114.554 -0.023 0.000 3.044 5433 T HA 0.390 4.740 4.350 0.000 0.000 0.250 5433 T C 0.513 175.196 174.700 -0.027 0.000 1.081 5433 T CA -0.476 61.612 62.100 -0.021 0.000 1.040 5433 T CB -0.501 68.359 68.868 -0.014 0.000 0.962 5433 T HN 0.301 nan 8.240 nan 0.000 0.506 5434 L N 2.219 123.423 121.223 -0.032 0.000 2.456 5434 L HA 0.504 4.844 4.340 0.000 0.000 0.272 5434 L C 1.194 178.034 176.870 -0.051 0.000 1.189 5434 L CA 0.940 55.758 54.840 -0.036 0.000 0.846 5434 L CB -0.154 41.883 42.059 -0.037 0.000 1.111 5434 L HN 0.669 nan 8.230 nan 0.000 0.475 5435 G N 3.182 111.952 108.800 -0.050 0.000 2.663 5435 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 5435 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 5435 G C -2.403 172.440 174.900 -0.095 0.000 1.246 5435 G CA -0.729 44.326 45.100 -0.076 0.000 0.795 5435 G HN 0.472 nan 8.290 nan 0.000 0.627 5436 P HA -0.009 nan 4.420 nan 0.000 0.218 5436 P C 1.257 178.367 177.300 -0.315 0.000 1.148 5436 P CA 1.294 64.288 63.100 -0.177 0.000 0.822 5436 P CB 0.159 31.708 31.700 -0.251 0.000 0.784 5437 K N -0.330 119.844 120.400 -0.378 0.000 2.576 5437 K HA 0.293 4.613 4.320 0.000 0.000 0.209 5437 K C 0.958 177.470 176.600 -0.145 0.000 1.049 5437 K CA -0.125 55.993 56.287 -0.281 0.000 1.140 5437 K CB -0.024 32.275 32.500 -0.335 0.000 0.871 5437 K HN 0.057 nan 8.250 nan 0.000 0.479 5438 G N 0.845 109.579 108.800 -0.109 0.000 2.634 5438 G HA2 0.238 4.198 3.960 0.000 0.000 0.255 5438 G HA3 0.238 4.198 3.960 0.000 0.000 0.255 5438 G C 0.281 175.154 174.900 -0.046 0.000 1.205 5438 G CA -0.393 44.666 45.100 -0.067 0.000 0.884 5438 G HN -0.028 nan 8.290 nan 0.000 0.549 5439 M N -0.152 119.428 119.600 -0.034 0.000 2.679 5439 M HA 0.441 4.921 4.480 0.000 0.000 0.287 5439 M C -0.590 175.703 176.300 -0.013 0.000 1.202 5439 M CA -0.639 54.647 55.300 -0.022 0.000 0.911 5439 M CB 1.271 33.858 32.600 -0.021 0.000 1.556 5439 M HN 0.344 nan 8.290 nan 0.000 0.511 5440 D N 0.138 120.534 120.400 -0.007 0.000 2.449 5440 D HA 0.601 5.241 4.640 0.000 0.000 0.250 5440 D C -0.699 175.601 176.300 0.001 0.000 1.050 5440 D CA -0.418 53.582 54.000 0.000 0.000 1.024 5440 D CB 1.497 42.301 40.800 0.007 0.000 1.218 5440 D HN 0.263 nan 8.370 nan 0.000 0.566 5441 K N 0.134 120.537 120.400 0.006 0.000 2.385 5441 K HA 0.546 4.866 4.320 0.000 0.000 0.248 5441 K C -0.799 175.810 176.600 0.016 0.000 0.955 5441 K CA -0.815 55.477 56.287 0.007 0.000 0.816 5441 K CB 2.824 35.327 32.500 0.005 0.000 1.250 5441 K HN 0.276 nan 8.250 nan 0.000 0.434 5442 M N 3.498 123.107 119.600 0.015 0.000 2.078 5442 M HA 0.313 4.794 4.480 0.000 0.000 0.320 5442 M C -1.871 174.443 176.300 0.024 0.000 0.969 5442 M CA -0.959 54.355 55.300 0.025 0.000 0.929 5442 M CB 0.578 33.187 32.600 0.014 0.000 1.504 5442 M HN 0.396 nan 8.290 nan 0.000 0.419 5443 L N 5.473 126.715 121.223 0.032 0.000 2.322 5443 L HA 0.626 4.966 4.340 0.000 0.000 0.281 5443 L C -0.880 176.010 176.870 0.032 0.000 1.014 5443 L CA -0.450 54.405 54.840 0.025 0.000 0.815 5443 L CB 2.162 44.233 42.059 0.019 0.000 1.247 5443 L HN 0.434 nan 8.230 nan 0.000 0.421 5444 V N 2.793 122.723 119.914 0.026 0.000 2.378 5444 V HA 0.358 4.478 4.120 0.000 0.000 0.288 5444 V C -0.313 175.792 176.094 0.019 0.000 1.016 5444 V CA -0.974 61.342 62.300 0.028 0.000 0.840 5444 V CB 1.452 33.290 31.823 0.026 0.000 0.994 5444 V HN 0.841 nan 8.190 nan 0.000 0.431 5445 D N 3.484 123.894 120.400 0.017 0.000 2.398 5445 D HA 0.003 4.643 4.640 0.000 0.000 0.264 5445 D C 1.031 177.337 176.300 0.010 0.000 1.263 5445 D CA -0.219 53.788 54.000 0.011 0.000 1.037 5445 D CB 0.470 41.274 40.800 0.007 0.000 1.101 5445 D HN 0.570 nan 8.370 nan 0.000 0.551 5446 D N -0.850 119.554 120.400 0.007 0.000 2.348 5446 D HA -0.122 4.518 4.640 0.000 0.000 0.216 5446 D C 1.660 177.964 176.300 0.006 0.000 0.970 5446 D CA 0.502 54.506 54.000 0.006 0.000 0.889 5446 D CB -0.155 40.648 40.800 0.005 0.000 0.912 5446 D HN 0.381 nan 8.370 nan 0.000 0.524 5447 L N -0.850 120.377 121.223 0.007 0.000 2.554 5447 L HA 0.306 4.646 4.340 0.000 0.000 0.225 5447 L C 1.849 178.725 176.870 0.010 0.000 1.104 5447 L CA 0.542 55.386 54.840 0.006 0.000 0.866 5447 L CB 0.258 42.319 42.059 0.004 0.000 1.047 5447 L HN 0.298 nan 8.230 nan 0.000 0.468 5448 G N -0.369 108.439 108.800 0.013 0.000 2.218 5448 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 5448 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 5448 G C 0.116 175.034 174.900 0.029 0.000 0.994 5448 G CA -0.021 45.090 45.100 0.020 0.000 0.637 5448 G HN 0.313 nan 8.290 nan 0.000 0.505 5449 D N 1.034 121.448 120.400 0.022 0.000 2.455 5449 D HA 0.394 5.034 4.640 0.000 0.000 0.241 5449 D C 0.485 176.812 176.300 0.045 0.000 1.138 5449 D CA 0.269 54.283 54.000 0.024 0.000 0.877 5449 D CB 1.237 42.036 40.800 -0.003 0.000 1.187 5449 D HN 0.273 nan 8.370 nan 0.000 0.451 5450 V N 4.369 124.340 119.914 0.095 0.000 2.398 5450 V HA 0.350 4.470 4.120 0.000 0.000 0.286 5450 V C 0.139 176.325 176.094 0.154 0.000 1.026 5450 V CA -0.806 61.592 62.300 0.164 0.000 0.868 5450 V CB 1.704 33.689 31.823 0.270 0.000 0.982 5450 V HN 0.346 nan 8.190 nan 0.000 0.443 5451 V N 5.483 125.462 119.914 0.109 0.000 2.495 5451 V HA 0.465 4.585 4.120 0.000 0.000 0.298 5451 V C -0.250 175.907 176.094 0.105 0.000 1.031 5451 V CA -0.646 61.696 62.300 0.070 0.000 0.871 5451 V CB 2.143 33.979 31.823 0.022 0.000 0.988 5451 V HN 0.598 nan 8.190 nan 0.000 0.432 5452 V N 4.197 124.183 119.914 0.120 0.000 2.347 5452 V HA 0.688 4.808 4.120 0.000 0.000 0.280 5452 V C 0.141 176.266 176.094 0.051 0.000 1.021 5452 V CA 0.059 62.414 62.300 0.091 0.000 0.847 5452 V CB 1.378 33.269 31.823 0.115 0.000 0.990 5452 V HN 1.004 nan 8.190 nan 0.000 0.444 5453 T N 2.926 117.501 114.554 0.034 0.000 2.821 5453 T HA 0.327 4.677 4.350 0.000 0.000 0.306 5453 T C 0.233 174.942 174.700 0.015 0.000 1.313 5453 T CA -0.417 61.696 62.100 0.022 0.000 1.012 5453 T CB 1.992 70.869 68.868 0.016 0.000 1.298 5453 T HN 0.634 nan 8.240 nan 0.000 0.502 5454 N N 1.042 119.748 118.700 0.011 0.000 2.210 5454 N HA 0.093 4.833 4.740 0.000 0.000 0.203 5454 N C -0.789 174.723 175.510 0.004 0.000 1.175 5454 N CA -0.020 53.033 53.050 0.006 0.000 0.894 5454 N CB 0.493 38.984 38.487 0.006 0.000 1.041 5454 N HN 0.571 nan 8.380 nan 0.000 0.506 5455 D N 0.284 120.688 120.400 0.006 0.000 2.412 5455 D HA 0.148 4.788 4.640 0.000 0.000 0.257 5455 D C 1.386 177.688 176.300 0.003 0.000 1.217 5455 D CA 0.266 54.268 54.000 0.004 0.000 0.897 5455 D CB 1.079 41.882 40.800 0.005 0.000 1.132 5455 D HN 0.304 nan 8.370 nan 0.000 0.493 5456 G N 1.817 110.617 108.800 0.001 0.000 2.421 5456 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 5456 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 5456 G C 1.584 176.485 174.900 0.001 0.000 1.171 5456 G CA 0.361 45.460 45.100 -0.001 0.000 0.775 5456 G HN 0.471 nan 8.290 nan 0.000 0.543 5457 V N 0.852 120.767 119.914 0.002 0.000 2.490 5457 V HA -0.150 3.970 4.120 0.000 0.000 0.250 5457 V C 2.952 179.048 176.094 0.003 0.000 1.061 5457 V CA 2.900 65.202 62.300 0.003 0.000 1.064 5457 V CB -0.625 31.200 31.823 0.004 0.000 0.670 5457 V HN 0.414 nan 8.190 nan 0.000 0.461 5458 T N 0.821 115.377 114.554 0.003 0.000 2.812 5458 T HA -0.053 4.297 4.350 0.000 0.000 0.264 5458 T C 1.849 176.551 174.700 0.004 0.000 1.042 5458 T CA 1.619 63.721 62.100 0.003 0.000 1.140 5458 T CB -0.185 68.685 68.868 0.004 0.000 0.870 5458 T HN 0.330 nan 8.240 nan 0.000 0.445 5459 I N 0.972 121.544 120.570 0.004 0.000 2.179 5459 I HA -0.069 4.101 4.170 0.000 0.000 0.242 5459 I C 2.176 178.296 176.117 0.004 0.000 1.088 5459 I CA 1.223 62.526 61.300 0.004 0.000 1.357 5459 I CB -1.196 36.805 38.000 0.002 0.000 1.051 5459 I HN 0.214 nan 8.210 nan 0.000 0.409 5460 L N 0.171 121.396 121.223 0.004 0.000 2.179 5460 L HA -0.042 4.298 4.340 0.000 0.000 0.208 5460 L C 2.607 179.480 176.870 0.006 0.000 1.096 5460 L CA 1.337 56.180 54.840 0.005 0.000 0.779 5460 L CB -0.964 41.098 42.059 0.004 0.000 0.922 5460 L HN 0.179 nan 8.230 nan 0.000 0.443 5461 R N -0.132 120.371 120.500 0.005 0.000 2.066 5461 R HA -0.118 4.222 4.340 0.000 0.000 0.232 5461 R C 1.935 178.238 176.300 0.005 0.000 1.131 5461 R CA 1.341 57.444 56.100 0.005 0.000 0.955 5461 R CB 0.033 30.335 30.300 0.004 0.000 0.851 5461 R HN 0.355 nan 8.270 nan 0.000 0.432 5462 E N 0.923 121.126 120.200 0.005 0.000 2.076 5462 E HA -0.063 4.287 4.350 0.000 0.000 0.190 5462 E C 1.258 177.862 176.600 0.007 0.000 0.979 5462 E CA 0.512 56.916 56.400 0.006 0.000 0.807 5462 E CB -0.256 29.448 29.700 0.006 0.000 0.761 5462 E HN 0.435 nan 8.360 nan 0.000 0.454 5463 M N -0.095 119.509 119.600 0.007 0.000 2.219 5463 M HA 0.069 4.549 4.480 0.000 0.000 0.307 5463 M C 0.459 176.764 176.300 0.009 0.000 1.116 5463 M CA 0.505 55.809 55.300 0.008 0.000 1.181 5463 M CB 0.546 33.150 32.600 0.007 0.000 1.410 5463 M HN -0.267 nan 8.290 nan 0.000 0.454 5464 S N 2.248 117.953 115.700 0.010 0.000 2.512 5464 S HA 0.467 4.937 4.470 0.000 0.000 0.291 5464 S C -0.757 173.852 174.600 0.015 0.000 1.151 5464 S CA -0.808 57.399 58.200 0.011 0.000 1.120 5464 S CB -0.138 63.068 63.200 0.010 0.000 1.029 5464 S HN 0.530 nan 8.310 nan 0.000 0.485 5465 V N 5.100 125.025 119.914 0.018 0.000 2.607 5465 V HA 0.375 4.495 4.120 0.000 0.000 0.289 5465 V C 0.857 176.971 176.094 0.033 0.000 1.053 5465 V CA -0.308 62.008 62.300 0.028 0.000 0.996 5465 V CB 1.565 33.406 31.823 0.030 0.000 0.995 5465 V HN 0.751 nan 8.190 nan 0.000 0.476 5466 E N 0.944 121.174 120.200 0.049 0.000 2.228 5466 E HA 0.077 4.427 4.350 0.000 0.000 0.197 5466 E C 0.715 177.348 176.600 0.055 0.000 0.909 5466 E CA 0.159 56.585 56.400 0.044 0.000 0.911 5466 E CB -0.047 29.679 29.700 0.043 0.000 0.887 5466 E HN 0.701 nan 8.360 nan 0.000 0.481 5467 H N 2.435 121.506 119.070 0.001 0.000 2.764 5467 H HA 0.050 4.606 4.556 -0.000 0.000 0.341 5467 H C -1.750 173.578 175.328 -0.001 0.000 1.072 5467 H CA -1.489 54.560 56.048 0.001 0.000 1.444 5467 H CB 1.605 31.364 29.762 -0.004 0.000 1.458 5467 H HN -0.209 nan 8.280 nan 0.000 0.572 5468 P HA -0.137 nan 4.420 nan 0.000 0.215 5468 P C 1.043 178.446 177.300 0.172 0.000 1.153 5468 P CA 2.170 65.284 63.100 0.024 0.000 0.853 5468 P CB 0.097 31.744 31.700 -0.089 0.000 0.788 5469 A N -0.125 122.955 122.820 0.433 0.000 1.898 5469 A HA -0.042 4.279 4.320 0.000 0.000 0.216 5469 A C 2.311 179.950 177.584 0.092 0.000 1.181 5469 A CA 1.880 54.042 52.037 0.208 0.000 0.620 5469 A CB -1.552 17.517 19.000 0.114 0.000 0.819 5469 A HN 0.185 nan 8.150 nan 0.000 0.442 5470 A N -0.156 122.723 122.820 0.099 0.000 1.972 5470 A HA -0.129 4.191 4.320 0.000 0.000 0.219 5470 A C 2.053 179.665 177.584 0.046 0.000 1.169 5470 A CA 1.699 53.757 52.037 0.036 0.000 0.635 5470 A CB -0.375 18.642 19.000 0.027 0.000 0.810 5470 A HN 0.540 nan 8.150 nan 0.000 0.446 5471 K N -0.916 119.526 120.400 0.070 0.000 2.211 5471 K HA -0.029 4.291 4.320 0.000 0.000 0.203 5471 K C 1.789 178.409 176.600 0.034 0.000 1.050 5471 K CA 1.103 57.416 56.287 0.044 0.000 0.945 5471 K CB -0.180 32.344 32.500 0.040 0.000 0.732 5471 K HN 0.354 nan 8.250 nan 0.000 0.451 5472 M N 0.232 119.856 119.600 0.039 0.000 2.229 5472 M HA -0.092 4.388 4.480 0.000 0.000 0.264 5472 M C 1.860 178.172 176.300 0.021 0.000 1.063 5472 M CA 1.220 56.537 55.300 0.029 0.000 1.114 5472 M CB -0.655 31.964 32.600 0.031 0.000 1.387 5472 M HN 0.073 nan 8.290 nan 0.000 0.420 5473 L N -0.016 121.217 121.223 0.017 0.000 2.201 5473 L HA -0.062 4.278 4.340 0.000 0.000 0.212 5473 L C 2.255 179.130 176.870 0.010 0.000 1.105 5473 L CA 1.196 56.042 54.840 0.010 0.000 0.775 5473 L CB -0.810 41.250 42.059 0.002 0.000 0.913 5473 L HN 0.214 nan 8.230 nan 0.000 0.440 5474 I N -0.940 119.638 120.570 0.012 0.000 2.226 5474 I HA -0.270 3.900 4.170 0.000 0.000 0.245 5474 I C 2.458 178.582 176.117 0.011 0.000 1.100 5474 I CA 1.002 62.309 61.300 0.011 0.000 1.374 5474 I CB -0.146 37.862 38.000 0.013 0.000 1.057 5474 I HN 0.230 nan 8.210 nan 0.000 0.413 5475 E N 0.866 121.074 120.200 0.014 0.000 2.110 5475 E HA -0.156 4.194 4.350 0.000 0.000 0.193 5475 E C 2.129 178.738 176.600 0.014 0.000 0.988 5475 E CA 1.127 57.535 56.400 0.013 0.000 0.804 5475 E CB -0.088 29.621 29.700 0.015 0.000 0.745 5475 E HN 0.241 nan 8.360 nan 0.000 0.458 5476 V N 0.598 120.521 119.914 0.015 0.000 2.343 5476 V HA -0.268 3.852 4.120 0.000 0.000 0.247 5476 V C 2.320 178.421 176.094 0.012 0.000 1.051 5476 V CA 1.844 64.153 62.300 0.015 0.000 1.036 5476 V CB -0.901 30.931 31.823 0.015 0.000 0.654 5476 V HN 0.443 nan 8.190 nan 0.000 0.451 5477 A N -0.504 122.321 122.820 0.009 0.000 1.930 5477 A HA -0.205 4.115 4.320 0.000 0.000 0.217 5477 A C 2.299 179.887 177.584 0.007 0.000 1.175 5477 A CA 1.759 53.800 52.037 0.007 0.000 0.627 5477 A CB -0.377 18.626 19.000 0.005 0.000 0.815 5477 A HN 0.538 nan 8.150 nan 0.000 0.443 5478 K N -0.576 119.829 120.400 0.008 0.000 2.097 5478 K HA -0.100 4.220 4.320 0.000 0.000 0.205 5478 K C 2.229 178.834 176.600 0.008 0.000 1.050 5478 K CA 1.717 58.009 56.287 0.007 0.000 0.938 5478 K CB -0.309 32.196 32.500 0.008 0.000 0.718 5478 K HN 0.732 nan 8.250 nan 0.000 0.442 5479 T N -1.205 113.355 114.554 0.010 0.000 2.904 5479 T HA -0.140 4.210 4.350 0.000 0.000 0.267 5479 T C 2.001 176.707 174.700 0.011 0.000 1.059 5479 T CA 0.842 62.949 62.100 0.011 0.000 1.137 5479 T CB 0.004 68.880 68.868 0.014 0.000 0.879 5479 T HN 0.012 nan 8.240 nan 0.000 0.467 5480 Q N 1.339 121.145 119.800 0.011 0.000 2.083 5480 Q HA -0.056 4.284 4.340 0.000 0.000 0.198 5480 Q C 2.394 178.399 176.000 0.008 0.000 0.969 5480 Q CA 1.570 57.379 55.803 0.010 0.000 0.838 5480 Q CB -0.415 28.329 28.738 0.009 0.000 0.900 5480 Q HN 0.625 nan 8.270 nan 0.000 0.436 5481 E N 0.543 120.747 120.200 0.007 0.000 2.051 5481 E HA -0.237 4.113 4.350 0.000 0.000 0.192 5481 E C 1.815 178.418 176.600 0.005 0.000 0.991 5481 E CA 1.480 57.883 56.400 0.005 0.000 0.799 5481 E CB -0.137 29.566 29.700 0.004 0.000 0.748 5481 E HN 0.368 nan 8.360 nan 0.000 0.449 5482 K N 0.165 120.569 120.400 0.005 0.000 2.057 5482 K HA -0.203 4.117 4.320 0.000 0.000 0.207 5482 K C 2.181 178.784 176.600 0.005 0.000 1.049 5482 K CA 1.768 58.058 56.287 0.005 0.000 0.931 5482 K CB -0.058 32.445 32.500 0.005 0.000 0.714 5482 K HN -0.066 nan 8.250 nan 0.000 0.440 5483 E N -0.416 119.789 120.200 0.007 0.000 2.086 5483 E HA -0.058 4.292 4.350 0.000 0.000 0.190 5483 E C 1.564 178.168 176.600 0.008 0.000 0.975 5483 E CA 1.109 57.514 56.400 0.008 0.000 0.813 5483 E CB 0.356 30.062 29.700 0.010 0.000 0.768 5483 E HN 0.132 nan 8.360 nan 0.000 0.457 5484 V N -1.592 118.327 119.914 0.008 0.000 2.806 5484 V HA 0.391 4.511 4.120 0.000 0.000 0.239 5484 V C 1.655 177.754 176.094 0.008 0.000 1.113 5484 V CA 0.849 63.154 62.300 0.008 0.000 1.137 5484 V CB 0.397 32.226 31.823 0.010 0.000 0.865 5484 V HN 0.506 nan 8.190 nan 0.000 0.482 5485 G N 0.131 108.935 108.800 0.007 0.000 4.391 5485 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 5485 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 5485 G C 0.142 175.046 174.900 0.007 0.000 1.547 5485 G CA 0.279 45.382 45.100 0.006 0.000 1.103 5485 G HN 0.441 nan 8.290 nan 0.000 0.637 5486 D N 1.710 122.115 120.400 0.008 0.000 2.387 5486 D HA 0.481 5.121 4.640 0.000 0.000 0.251 5486 D C 1.418 177.722 176.300 0.007 0.000 1.141 5486 D CA 1.266 55.272 54.000 0.009 0.000 0.987 5486 D CB 0.807 41.614 40.800 0.011 0.000 1.116 5486 D HN 1.723 nan 8.370 nan 0.000 0.491 5487 G N 0.434 109.237 108.800 0.006 0.000 2.143 5487 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 5487 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 5487 G C 1.010 175.911 174.900 0.001 0.000 0.981 5487 G CA 1.204 46.306 45.100 0.003 0.000 0.665 5487 G HN 0.613 nan 8.290 nan 0.000 0.528 5488 T N -3.143 111.412 114.554 0.002 0.000 2.821 5488 T HA -0.042 4.308 4.350 0.000 0.000 0.267 5488 T C 2.206 176.904 174.700 -0.002 0.000 1.046 5488 T CA 2.431 64.532 62.100 0.002 0.000 1.139 5488 T CB -0.409 68.460 68.868 0.002 0.000 0.871 5488 T HN 0.276 nan 8.240 nan 0.000 0.454 5489 T N 1.896 116.447 114.554 -0.005 0.000 2.812 5489 T HA -0.043 4.307 4.350 0.000 0.000 0.264 5489 T C 2.235 176.926 174.700 -0.014 0.000 1.042 5489 T CA 1.639 63.733 62.100 -0.010 0.000 1.140 5489 T CB -0.843 68.018 68.868 -0.012 0.000 0.870 5489 T HN 0.482 nan 8.240 nan 0.000 0.445 5490 T N 2.182 116.728 114.554 -0.013 0.000 2.684 5490 T HA -0.097 4.253 4.350 0.000 0.000 0.267 5490 T C 2.383 177.072 174.700 -0.018 0.000 1.036 5490 T CA 1.311 63.401 62.100 -0.018 0.000 1.148 5490 T CB -0.546 68.314 68.868 -0.014 0.000 0.863 5490 T HN 0.436 nan 8.240 nan 0.000 0.436 5491 A N 0.742 123.556 122.820 -0.009 0.000 1.902 5491 A HA -0.028 4.292 4.320 0.000 0.000 0.217 5491 A C 2.592 180.173 177.584 -0.006 0.000 1.181 5491 A CA 1.360 53.395 52.037 -0.003 0.000 0.623 5491 A CB -0.895 18.108 19.000 0.006 0.000 0.818 5491 A HN 0.365 nan 8.150 nan 0.000 0.443 5492 V N -0.963 118.946 119.914 -0.007 0.000 2.323 5492 V HA -0.175 3.945 4.120 0.000 0.000 0.244 5492 V C 2.468 178.552 176.094 -0.017 0.000 1.041 5492 V CA 1.787 64.082 62.300 -0.008 0.000 1.025 5492 V CB -0.632 31.187 31.823 -0.007 0.000 0.656 5492 V HN 0.375 nan 8.190 nan 0.000 0.451 5493 V N -0.375 119.525 119.914 -0.023 0.000 2.515 5493 V HA -0.168 3.952 4.120 0.000 0.000 0.250 5493 V C 2.322 178.390 176.094 -0.042 0.000 1.058 5493 V CA 1.936 64.217 62.300 -0.031 0.000 1.064 5493 V CB 0.317 32.120 31.823 -0.033 0.000 0.675 5493 V HN 0.386 nan 8.190 nan 0.000 0.461 5494 V N 0.339 120.224 119.914 -0.048 0.000 2.358 5494 V HA -0.152 3.968 4.120 0.000 0.000 0.246 5494 V C 2.770 178.828 176.094 -0.061 0.000 1.047 5494 V CA 1.889 64.143 62.300 -0.076 0.000 1.035 5494 V CB -1.068 30.702 31.823 -0.088 0.000 0.658 5494 V HN 0.617 nan 8.190 nan 0.000 0.452 5495 A N 0.497 123.300 122.820 -0.027 0.000 1.933 5495 A HA -0.098 4.222 4.320 0.000 0.000 0.218 5495 A C 2.374 179.954 177.584 -0.006 0.000 1.175 5495 A CA 1.999 54.036 52.037 -0.001 0.000 0.628 5495 A CB -1.083 17.922 19.000 0.008 0.000 0.814 5495 A HN 0.530 nan 8.150 nan 0.000 0.444 5496 G N -0.822 107.967 108.800 -0.020 0.000 2.394 5496 G HA2 -0.132 3.828 3.960 0.000 0.000 0.215 5496 G HA3 -0.132 3.828 3.960 0.000 0.000 0.215 5496 G C 1.463 176.348 174.900 -0.026 0.000 1.165 5496 G CA 1.140 46.224 45.100 -0.026 0.000 0.784 5496 G HN 0.532 nan 8.290 nan 0.000 0.535 5497 E N 0.331 120.513 120.200 -0.030 0.000 2.106 5497 E HA 0.034 4.384 4.350 0.000 0.000 0.192 5497 E C 2.498 179.095 176.600 -0.005 0.000 0.984 5497 E CA 0.476 56.858 56.400 -0.031 0.000 0.806 5497 E CB -0.331 29.337 29.700 -0.054 0.000 0.750 5497 E HN 0.426 nan 8.360 nan 0.000 0.458 5498 L N -0.329 120.899 121.223 0.009 0.000 2.046 5498 L HA -0.176 4.164 4.340 0.000 0.000 0.208 5498 L C 2.131 179.074 176.870 0.122 0.000 1.077 5498 L CA 0.526 55.446 54.840 0.133 0.000 0.747 5498 L CB -0.383 41.771 42.059 0.159 0.000 0.896 5498 L HN 0.229 nan 8.230 nan 0.000 0.432 5499 L N -0.245 120.991 121.223 0.022 0.000 2.083 5499 L HA -0.191 4.149 4.340 0.000 0.000 0.209 5499 L C 2.703 179.557 176.870 -0.027 0.000 1.083 5499 L CA 1.600 56.421 54.840 -0.033 0.000 0.752 5499 L CB -0.801 41.232 42.059 -0.044 0.000 0.899 5499 L HN 0.183 nan 8.230 nan 0.000 0.433 5500 R N -0.651 119.843 120.500 -0.011 0.000 2.073 5500 R HA -0.140 4.200 4.340 0.000 0.000 0.234 5500 R C 2.103 178.407 176.300 0.007 0.000 1.134 5500 R CA 1.151 57.243 56.100 -0.014 0.000 0.952 5500 R CB 0.053 30.342 30.300 -0.018 0.000 0.850 5500 R HN 0.132 nan 8.270 nan 0.000 0.433 5501 K N 0.109 120.536 120.400 0.044 0.000 2.155 5501 K HA 0.010 4.330 4.320 0.000 0.000 0.203 5501 K C 1.907 178.574 176.600 0.113 0.000 1.052 5501 K CA 1.089 57.423 56.287 0.080 0.000 0.948 5501 K CB -0.128 32.436 32.500 0.106 0.000 0.728 5501 K HN 0.258 nan 8.250 nan 0.000 0.448 5502 A N 1.586 124.467 122.820 0.102 0.000 1.930 5502 A HA -0.162 4.158 4.320 0.000 0.000 0.217 5502 A C 2.154 179.719 177.584 -0.033 0.000 1.175 5502 A CA 1.325 53.358 52.037 -0.006 0.000 0.627 5502 A CB -0.236 18.624 19.000 -0.234 0.000 0.815 5502 A HN 0.219 nan 8.150 nan 0.000 0.443 5503 E N -0.115 120.065 120.200 -0.033 0.000 2.106 5503 E HA -0.208 4.142 4.350 0.000 0.000 0.192 5503 E C 1.940 178.527 176.600 -0.021 0.000 0.984 5503 E CA 1.482 57.858 56.400 -0.040 0.000 0.806 5503 E CB -0.099 29.572 29.700 -0.048 0.000 0.750 5503 E HN 0.625 nan 8.360 nan 0.000 0.458 5504 E N 0.493 120.691 120.200 -0.004 0.000 2.153 5504 E HA -0.157 4.193 4.350 0.000 0.000 0.194 5504 E C 2.048 178.655 176.600 0.013 0.000 0.988 5504 E CA 0.600 57.003 56.400 0.004 0.000 0.811 5504 E CB -0.327 29.380 29.700 0.012 0.000 0.746 5504 E HN 0.182 nan 8.360 nan 0.000 0.466 5505 L N -0.130 121.110 121.223 0.028 0.000 2.109 5505 L HA 0.011 4.351 4.340 0.000 0.000 0.207 5505 L C 2.011 178.889 176.870 0.013 0.000 1.086 5505 L CA 1.422 56.285 54.840 0.038 0.000 0.760 5505 L CB -0.319 41.789 42.059 0.082 0.000 0.910 5505 L HN 0.240 nan 8.230 nan 0.000 0.437 5506 L N -0.732 120.485 121.223 -0.010 0.000 2.141 5506 L HA -0.188 4.152 4.340 0.000 0.000 0.209 5506 L C 2.148 179.004 176.870 -0.023 0.000 1.094 5506 L CA 1.424 56.246 54.840 -0.030 0.000 0.763 5506 L CB -0.599 41.428 42.059 -0.053 0.000 0.908 5506 L HN 0.318 nan 8.230 nan 0.000 0.437 5507 D N -0.571 119.819 120.400 -0.017 0.000 2.178 5507 D HA -0.187 4.453 4.640 0.000 0.000 0.202 5507 D C 2.078 178.375 176.300 -0.004 0.000 0.974 5507 D CA 0.859 54.851 54.000 -0.013 0.000 0.841 5507 D CB 0.192 40.984 40.800 -0.013 0.000 0.953 5507 D HN 0.144 nan 8.370 nan 0.000 0.478 5508 Q N 0.189 119.991 119.800 0.002 0.000 2.482 5508 Q HA 0.023 4.363 4.340 0.000 0.000 0.209 5508 Q C -0.032 175.974 176.000 0.010 0.000 0.961 5508 Q CA 0.273 56.081 55.803 0.008 0.000 0.945 5508 Q CB -0.063 28.684 28.738 0.014 0.000 1.012 5508 Q HN 0.361 nan 8.270 nan 0.000 0.515 5509 N N -0.258 118.445 118.700 0.005 0.000 2.780 5509 N HA -0.127 4.613 4.740 0.000 0.000 0.247 5509 N C -1.185 174.339 175.510 0.024 0.000 1.076 5509 N CA 0.352 53.407 53.050 0.008 0.000 0.688 5509 N CB -1.629 36.866 38.487 0.014 0.000 0.957 5509 N HN -0.015 nan 8.380 nan 0.000 0.551 5510 V N 1.660 121.587 119.914 0.021 0.000 2.350 5510 V HA 0.129 4.249 4.120 0.000 0.000 0.276 5510 V C 0.981 177.100 176.094 0.041 0.000 1.028 5510 V CA -0.733 61.594 62.300 0.044 0.000 0.860 5510 V CB 1.439 33.290 31.823 0.046 0.000 0.990 5510 V HN 0.324 nan 8.190 nan 0.000 0.453 5511 H N 8.023 127.096 119.070 0.005 0.000 3.001 5511 H HA 0.037 4.593 4.556 0.000 0.000 0.334 5511 H C -1.698 173.629 175.328 -0.002 0.000 1.034 5511 H CA -1.056 54.993 56.048 0.002 0.000 1.420 5511 H CB 1.688 31.451 29.762 0.002 0.000 1.405 5511 H HN 0.375 nan 8.280 nan 0.000 0.593 5512 P HA -0.173 nan 4.420 nan 0.000 0.218 5512 P C 1.501 178.855 177.300 0.091 0.000 1.146 5512 P CA 1.694 64.735 63.100 -0.099 0.000 0.820 5512 P CB 0.033 31.618 31.700 -0.191 0.000 0.778 5513 T N -1.873 112.903 114.554 0.369 0.000 2.929 5513 T HA -0.097 4.253 4.350 0.000 0.000 0.271 5513 T C 1.505 176.275 174.700 0.116 0.000 1.085 5513 T CA 0.845 63.075 62.100 0.218 0.000 1.125 5513 T CB -0.472 68.483 68.868 0.146 0.000 0.874 5513 T HN -0.147 nan 8.240 nan 0.000 0.494 5514 I N 0.121 120.766 120.570 0.124 0.000 2.385 5514 I HA 0.072 4.242 4.170 0.000 0.000 0.244 5514 I C 2.562 178.731 176.117 0.087 0.000 1.089 5514 I CA 0.652 62.002 61.300 0.083 0.000 1.410 5514 I CB -1.529 36.520 38.000 0.082 0.000 1.117 5514 I HN 0.112 nan 8.210 nan 0.000 0.429 5515 V N 1.081 121.040 119.914 0.074 0.000 2.469 5515 V HA -0.216 3.904 4.120 0.000 0.000 0.251 5515 V C 2.548 178.675 176.094 0.056 0.000 1.064 5515 V CA 1.587 63.931 62.300 0.074 0.000 1.066 5515 V CB -0.086 31.698 31.823 -0.066 0.000 0.667 5515 V HN 0.184 nan 8.190 nan 0.000 0.461 5516 V N -0.083 119.844 119.914 0.022 0.000 2.427 5516 V HA -0.234 3.886 4.120 0.000 0.000 0.248 5516 V C 2.391 178.530 176.094 0.076 0.000 1.051 5516 V CA 2.490 64.807 62.300 0.028 0.000 1.048 5516 V CB -0.679 31.155 31.823 0.018 0.000 0.666 5516 V HN 0.608 nan 8.190 nan 0.000 0.456 5517 K N 0.206 120.648 120.400 0.070 0.000 2.021 5517 K HA -0.068 4.252 4.320 0.000 0.000 0.205 5517 K C 2.191 178.818 176.600 0.045 0.000 1.047 5517 K CA 1.422 57.737 56.287 0.047 0.000 0.943 5517 K CB -0.538 31.979 32.500 0.027 0.000 0.725 5517 K HN 0.439 nan 8.250 nan 0.000 0.439 5518 G N -0.204 108.641 108.800 0.076 0.000 2.408 5518 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 5518 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 5518 G C 1.147 176.038 174.900 -0.015 0.000 1.150 5518 G CA 0.670 45.782 45.100 0.019 0.000 0.776 5518 G HN 0.285 nan 8.290 nan 0.000 0.542 5519 Y N 0.409 120.678 120.300 -0.050 0.000 2.293 5519 Y HA -0.078 4.472 4.550 0.000 0.000 0.291 5519 Y C 2.981 178.780 175.900 -0.169 0.000 1.137 5519 Y CA 1.368 59.433 58.100 -0.058 0.000 1.202 5519 Y CB -0.095 38.428 38.460 0.106 0.000 0.990 5519 Y HN 0.195 nan 8.280 nan 0.000 0.537 5520 Q N 0.367 120.203 119.800 0.060 0.000 2.049 5520 Q HA -0.141 4.199 4.340 0.000 0.000 0.198 5520 Q C 2.397 178.352 176.000 -0.075 0.000 0.971 5520 Q CA 1.495 57.299 55.803 0.003 0.000 0.833 5520 Q CB -0.314 28.440 28.738 0.027 0.000 0.896 5520 Q HN 0.444 nan 8.270 nan 0.000 0.434 5521 A N 0.919 123.690 122.820 -0.082 0.000 1.877 5521 A HA -0.085 4.235 4.320 0.000 0.000 0.216 5521 A C 2.325 179.878 177.584 -0.051 0.000 1.186 5521 A CA 2.171 54.180 52.037 -0.048 0.000 0.620 5521 A CB -0.916 18.030 19.000 -0.090 0.000 0.822 5521 A HN 0.495 nan 8.150 nan 0.000 0.443 5522 A N -0.354 122.285 122.820 -0.302 0.000 1.930 5522 A HA 0.222 4.542 4.320 0.000 0.000 0.217 5522 A C 2.478 179.595 177.584 -0.779 0.000 1.175 5522 A CA 1.938 53.656 52.037 -0.533 0.000 0.627 5522 A CB -0.915 17.511 19.000 -0.956 0.000 0.815 5522 A HN 1.017 nan 8.150 nan 0.000 0.443 5523 A N -0.783 121.512 122.820 -0.875 0.000 1.898 5523 A HA -0.195 4.125 4.320 0.000 0.000 0.216 5523 A C 2.186 179.706 177.584 -0.107 0.000 1.181 5523 A CA 1.738 53.562 52.037 -0.355 0.000 0.620 5523 A CB -0.559 18.384 19.000 -0.096 0.000 0.819 5523 A HN 0.642 nan 8.150 nan 0.000 0.442 5524 Q N -0.700 119.043 119.800 -0.095 0.000 2.119 5524 Q HA -0.225 4.115 4.340 0.000 0.000 0.201 5524 Q C 2.018 177.989 176.000 -0.048 0.000 0.972 5524 Q CA 1.903 57.684 55.803 -0.037 0.000 0.847 5524 Q CB -0.063 28.666 28.738 -0.015 0.000 0.903 5524 Q HN 0.453 nan 8.270 nan 0.000 0.433 5525 K N 0.271 120.627 120.400 -0.073 0.000 2.103 5525 K HA 0.002 4.322 4.320 0.000 0.000 0.204 5525 K C 1.699 178.247 176.600 -0.086 0.000 1.052 5525 K CA 1.302 57.505 56.287 -0.140 0.000 0.945 5525 K CB -0.473 31.855 32.500 -0.288 0.000 0.722 5525 K HN 0.266 nan 8.250 nan 0.000 0.443 5526 A N 0.697 123.497 122.820 -0.033 0.000 1.933 5526 A HA -0.227 4.093 4.320 0.000 0.000 0.218 5526 A C 2.205 179.812 177.584 0.039 0.000 1.175 5526 A CA 1.833 53.901 52.037 0.053 0.000 0.628 5526 A CB -0.637 18.483 19.000 0.199 0.000 0.814 5526 A HN 0.580 nan 8.150 nan 0.000 0.444 5527 Q N -0.345 119.471 119.800 0.025 0.000 2.084 5527 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 5527 Q C 1.898 177.898 176.000 0.001 0.000 0.978 5527 Q CA 1.822 57.637 55.803 0.020 0.000 0.844 5527 Q CB -0.158 28.590 28.738 0.017 0.000 0.898 5527 Q HN 0.788 nan 8.270 nan 0.000 0.426 5528 E N 0.227 120.415 120.200 -0.020 0.000 2.110 5528 E HA -0.168 4.182 4.350 0.000 0.000 0.193 5528 E C 2.145 178.728 176.600 -0.028 0.000 0.988 5528 E CA 1.041 57.422 56.400 -0.031 0.000 0.804 5528 E CB -0.042 29.623 29.700 -0.058 0.000 0.745 5528 E HN 0.393 nan 8.360 nan 0.000 0.458 5529 L N 0.616 121.821 121.223 -0.030 0.000 2.056 5529 L HA -0.188 4.152 4.340 0.000 0.000 0.207 5529 L C 2.434 179.306 176.870 0.004 0.000 1.078 5529 L CA 0.836 55.666 54.840 -0.017 0.000 0.749 5529 L CB -0.345 41.705 42.059 -0.015 0.000 0.901 5529 L HN 0.174 nan 8.230 nan 0.000 0.433 5530 L N -0.379 120.850 121.223 0.011 0.000 2.046 5530 L HA -0.211 4.129 4.340 0.000 0.000 0.208 5530 L C 2.590 179.467 176.870 0.012 0.000 1.077 5530 L CA 1.384 56.234 54.840 0.016 0.000 0.747 5530 L CB -0.431 41.640 42.059 0.021 0.000 0.896 5530 L HN 0.211 nan 8.230 nan 0.000 0.432 5531 K N -0.809 119.595 120.400 0.006 0.000 2.217 5531 K HA -0.080 4.240 4.320 0.000 0.000 0.202 5531 K C 2.057 178.658 176.600 0.001 0.000 1.051 5531 K CA 1.437 57.726 56.287 0.003 0.000 0.952 5531 K CB -0.137 32.363 32.500 -0.000 0.000 0.736 5531 K HN 0.275 nan 8.250 nan 0.000 0.453 5532 T N 2.060 116.613 114.554 -0.002 0.000 2.737 5532 T HA -0.077 4.273 4.350 0.000 0.000 0.265 5532 T C 1.899 176.601 174.700 0.005 0.000 1.038 5532 T CA 1.316 63.414 62.100 -0.003 0.000 1.144 5532 T CB -0.148 68.714 68.868 -0.010 0.000 0.866 5532 T HN 0.376 nan 8.240 nan 0.000 0.434 5533 I N -0.028 120.550 120.570 0.014 0.000 3.251 5533 I HA 0.395 4.565 4.170 0.000 0.000 0.277 5533 I C 1.114 177.242 176.117 0.018 0.000 1.268 5533 I CA -0.446 60.867 61.300 0.022 0.000 1.449 5533 I CB -0.556 37.469 38.000 0.042 0.000 1.083 5533 I HN -0.040 nan 8.210 nan 0.000 0.464 5534 A N 1.575 124.404 122.820 0.014 0.000 2.566 5534 A HA 0.124 4.444 4.320 0.000 0.000 0.245 5534 A C 0.112 177.702 177.584 0.010 0.000 1.056 5534 A CA -0.005 52.040 52.037 0.013 0.000 0.757 5534 A CB -0.300 18.706 19.000 0.010 0.000 0.979 5534 A HN 0.639 nan 8.150 nan 0.000 0.508 5535 C N 3.471 122.777 119.300 0.011 0.000 2.295 5535 C HA 0.481 4.941 4.460 0.000 0.000 0.331 5535 C C 0.524 175.518 174.990 0.007 0.000 1.280 5535 C CA -0.652 58.371 59.018 0.008 0.000 1.746 5535 C CB -0.295 27.450 27.740 0.009 0.000 2.328 5535 C HN 0.945 nan 8.230 nan 0.000 0.521 5536 E N 3.806 124.009 120.200 0.005 0.000 2.366 5536 E HA 0.424 4.774 4.350 0.000 0.000 0.266 5536 E C -0.258 176.345 176.600 0.004 0.000 1.015 5536 E CA -0.026 56.377 56.400 0.004 0.000 0.906 5536 E CB 0.728 30.429 29.700 0.003 0.000 0.979 5536 E HN 0.716 nan 8.360 nan 0.000 0.443 5537 V N 1.050 120.967 119.914 0.005 0.000 3.102 5537 V HA 0.718 4.838 4.120 0.000 0.000 0.312 5537 V C 0.364 176.460 176.094 0.004 0.000 1.135 5537 V CA -0.687 61.616 62.300 0.004 0.000 1.022 5537 V CB 1.505 33.332 31.823 0.005 0.000 1.056 5537 V HN 0.702 nan 8.190 nan 0.000 0.436 5538 G N 0.527 109.329 108.800 0.003 0.000 2.313 5538 G HA2 0.460 4.420 3.960 0.000 0.000 0.250 5538 G HA3 0.460 4.420 3.960 0.000 0.000 0.250 5538 G C 0.989 175.891 174.900 0.004 0.000 1.281 5538 G CA 0.223 45.325 45.100 0.003 0.000 0.917 5538 G HN 1.661 nan 8.290 nan 0.000 0.501 5539 A N 2.539 125.361 122.820 0.004 0.000 1.908 5539 A HA -0.092 4.228 4.320 0.000 0.000 0.218 5539 A C 2.056 179.643 177.584 0.004 0.000 1.181 5539 A CA 1.298 53.337 52.037 0.004 0.000 0.627 5539 A CB -0.068 18.934 19.000 0.004 0.000 0.818 5539 A HN 0.568 nan 8.150 nan 0.000 0.445 5540 Q N -0.315 119.487 119.800 0.004 0.000 2.198 5540 Q HA 0.058 4.398 4.340 0.000 0.000 0.209 5540 Q C -0.734 175.268 176.000 0.004 0.000 0.848 5540 Q CA -0.112 55.694 55.803 0.004 0.000 0.974 5540 Q CB 0.079 28.820 28.738 0.005 0.000 1.115 5540 Q HN 0.745 nan 8.270 nan 0.000 0.494 5541 D N 1.143 121.545 120.400 0.004 0.000 2.389 5541 D HA -0.050 4.590 4.640 0.000 0.000 0.263 5541 D C 1.226 177.528 176.300 0.003 0.000 1.255 5541 D CA 0.144 54.146 54.000 0.003 0.000 0.914 5541 D CB 0.875 41.677 40.800 0.003 0.000 1.116 5541 D HN -0.227 nan 8.370 nan 0.000 0.502 5542 K N 3.627 124.029 120.400 0.003 0.000 2.015 5542 K HA -0.300 4.020 4.320 0.000 0.000 0.220 5542 K C 1.583 178.184 176.600 0.002 0.000 1.055 5542 K CA 2.240 58.529 56.287 0.003 0.000 0.951 5542 K CB -0.299 32.202 32.500 0.002 0.000 0.725 5542 K HN 0.682 nan 8.250 nan 0.000 0.449 5543 E N -0.544 119.656 120.200 0.001 0.000 2.048 5543 E HA -0.243 4.107 4.350 0.000 0.000 0.202 5543 E C 2.029 178.630 176.600 0.001 0.000 1.021 5543 E CA 1.898 58.298 56.400 -0.001 0.000 0.825 5543 E CB -0.325 29.374 29.700 -0.001 0.000 0.756 5543 E HN 0.353 nan 8.360 nan 0.000 0.454 5544 I N 0.359 120.930 120.570 0.002 0.000 2.493 5544 I HA -0.183 3.987 4.170 0.000 0.000 0.254 5544 I C 1.861 177.981 176.117 0.006 0.000 1.160 5544 I CA 0.712 62.015 61.300 0.004 0.000 1.445 5544 I CB 0.002 38.005 38.000 0.005 0.000 1.086 5544 I HN 0.199 nan 8.210 nan 0.000 0.433 5545 L N -0.103 121.124 121.223 0.005 0.000 2.156 5545 L HA -0.094 4.246 4.340 0.000 0.000 0.208 5545 L C 2.632 179.506 176.870 0.006 0.000 1.095 5545 L CA 2.123 56.967 54.840 0.006 0.000 0.770 5545 L CB -1.437 40.626 42.059 0.006 0.000 0.914 5545 L HN 0.448 nan 8.230 nan 0.000 0.439 5546 T N -4.395 110.161 114.554 0.004 0.000 2.942 5546 T HA -0.109 4.241 4.350 0.000 0.000 0.265 5546 T C 1.893 176.595 174.700 0.003 0.000 1.062 5546 T CA 0.625 62.727 62.100 0.003 0.000 1.139 5546 T CB -0.146 68.721 68.868 -0.000 0.000 0.883 5546 T HN 0.185 nan 8.240 nan 0.000 0.468 5547 K N 0.757 121.159 120.400 0.003 0.000 2.097 5547 K HA 0.162 4.482 4.320 0.000 0.000 0.205 5547 K C 2.158 178.767 176.600 0.014 0.000 1.050 5547 K CA 1.110 57.400 56.287 0.005 0.000 0.938 5547 K CB -0.335 32.167 32.500 0.004 0.000 0.718 5547 K HN 0.373 nan 8.250 nan 0.000 0.442 5548 I N 1.033 121.611 120.570 0.014 0.000 2.163 5548 I HA -0.280 3.890 4.170 0.000 0.000 0.240 5548 I C 2.530 178.659 176.117 0.020 0.000 1.081 5548 I CA 1.144 62.454 61.300 0.018 0.000 1.353 5548 I CB -0.393 37.616 38.000 0.014 0.000 1.054 5548 I HN 0.133 nan 8.210 nan 0.000 0.407 5549 A N 0.651 123.481 122.820 0.016 0.000 1.883 5549 A HA -0.250 4.070 4.320 0.000 0.000 0.217 5549 A C 2.380 179.977 177.584 0.021 0.000 1.186 5549 A CA 1.860 53.907 52.037 0.016 0.000 0.624 5549 A CB -0.636 18.371 19.000 0.012 0.000 0.822 5549 A HN 0.340 nan 8.150 nan 0.000 0.444 5550 M N -0.305 119.307 119.600 0.019 0.000 2.086 5550 M HA -0.136 4.344 4.480 0.000 0.000 0.261 5550 M C 2.450 178.779 176.300 0.048 0.000 1.067 5550 M CA 2.096 57.410 55.300 0.023 0.000 1.116 5550 M CB -0.781 31.821 32.600 0.004 0.000 1.348 5550 M HN 0.712 nan 8.290 nan 0.000 0.407 5551 T N -2.693 111.892 114.554 0.052 0.000 2.915 5551 T HA -0.088 4.262 4.350 0.000 0.000 0.269 5551 T C 1.869 176.609 174.700 0.066 0.000 1.071 5551 T CA 1.548 63.696 62.100 0.080 0.000 1.132 5551 T CB -0.449 68.461 68.868 0.069 0.000 0.878 5551 T HN 0.318 nan 8.240 nan 0.000 0.479 5552 S N 1.107 116.834 115.700 0.045 0.000 2.355 5552 S HA 0.014 4.484 4.470 0.000 0.000 0.222 5552 S C 2.007 176.630 174.600 0.038 0.000 1.031 5552 S CA 0.875 59.096 58.200 0.035 0.000 0.993 5552 S CB -0.619 62.597 63.200 0.025 0.000 0.859 5552 S HN 0.598 nan 8.310 nan 0.000 0.453 5553 I N 1.757 122.353 120.570 0.042 0.000 2.361 5553 I HA -0.087 4.083 4.170 0.000 0.000 0.251 5553 I C 1.306 177.459 176.117 0.060 0.000 1.133 5553 I CA 0.875 62.201 61.300 0.044 0.000 1.413 5553 I CB -0.894 37.130 38.000 0.040 0.000 1.073 5553 I HN 0.444 nan 8.210 nan 0.000 0.424 5554 T N -0.621 113.986 114.554 0.089 0.000 2.903 5554 T HA 0.310 4.660 4.350 0.000 0.000 0.314 5554 T C 1.178 175.911 174.700 0.055 0.000 1.078 5554 T CA 0.103 62.278 62.100 0.124 0.000 1.114 5554 T CB 1.250 70.265 68.868 0.244 0.000 0.987 5554 T HN 0.595 nan 8.240 nan 0.000 0.548 5555 G N 1.295 110.111 108.800 0.026 0.000 2.159 5555 G HA2 -0.204 3.756 3.960 0.000 0.000 0.256 5555 G HA3 -0.204 3.756 3.960 0.000 0.000 0.256 5555 G C -0.077 174.824 174.900 0.002 0.000 0.977 5555 G CA 0.411 45.502 45.100 -0.015 0.000 0.652 5555 G HN 0.946 nan 8.290 nan 0.000 0.531 5556 K N -0.989 119.424 120.400 0.021 0.000 2.395 5556 K HA 0.596 4.916 4.320 0.000 0.000 0.247 5556 K C 1.482 178.100 176.600 0.029 0.000 0.973 5556 K CA -0.608 55.692 56.287 0.022 0.000 0.828 5556 K CB 1.488 34.003 32.500 0.025 0.000 1.272 5556 K HN 0.188 nan 8.250 nan 0.000 0.439 5557 G N 0.625 109.441 108.800 0.027 0.000 2.462 5557 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 5557 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 5557 G C 1.199 176.119 174.900 0.034 0.000 1.121 5557 G CA 1.223 46.340 45.100 0.030 0.000 0.758 5557 G HN 0.624 nan 8.290 nan 0.000 0.559 5558 A N 1.297 124.138 122.820 0.034 0.000 2.168 5558 A HA 0.100 4.420 4.320 0.000 0.000 0.215 5558 A C 2.106 179.713 177.584 0.039 0.000 1.152 5558 A CA 1.485 53.542 52.037 0.033 0.000 0.716 5558 A CB -0.348 18.669 19.000 0.029 0.000 0.794 5558 A HN 0.649 nan 8.150 nan 0.000 0.465 5559 E N 1.495 121.726 120.200 0.051 0.000 2.267 5559 E HA -0.302 4.048 4.350 0.000 0.000 0.197 5559 E C 1.633 178.268 176.600 0.058 0.000 0.998 5559 E CA 1.396 57.837 56.400 0.069 0.000 0.830 5559 E CB -0.563 29.204 29.700 0.111 0.000 0.751 5559 E HN 0.782 nan 8.360 nan 0.000 0.491 5560 K N 0.930 121.359 120.400 0.048 0.000 2.218 5560 K HA -0.109 4.211 4.320 0.000 0.000 0.205 5560 K C 1.314 177.928 176.600 0.024 0.000 1.046 5560 K CA 1.581 57.890 56.287 0.037 0.000 0.933 5560 K CB -0.071 32.448 32.500 0.032 0.000 0.728 5560 K HN 0.164 nan 8.250 nan 0.000 0.454 5561 A N 1.695 124.529 122.820 0.023 0.000 2.674 5561 A HA 0.167 4.487 4.320 0.000 0.000 0.286 5561 A C 1.093 178.685 177.584 0.014 0.000 0.980 5561 A CA -0.678 51.368 52.037 0.015 0.000 1.028 5561 A CB 0.068 19.077 19.000 0.015 0.000 1.199 5561 A HN 0.408 nan 8.150 nan 0.000 0.499 5562 K N -0.134 120.276 120.400 0.016 0.000 2.280 5562 K HA -0.150 4.170 4.320 0.000 0.000 0.202 5562 K C 0.812 177.415 176.600 0.006 0.000 1.047 5562 K CA 1.805 58.102 56.287 0.016 0.000 0.942 5562 K CB -0.026 32.489 32.500 0.025 0.000 0.739 5562 K HN 0.311 nan 8.250 nan 0.000 0.457 5563 E N 1.553 121.751 120.200 -0.003 0.000 2.072 5563 E HA -0.135 4.215 4.350 0.000 0.000 0.190 5563 E C 1.886 178.485 176.600 -0.002 0.000 0.982 5563 E CA 1.235 57.630 56.400 -0.008 0.000 0.803 5563 E CB -0.037 29.654 29.700 -0.015 0.000 0.755 5563 E HN 0.251 nan 8.360 nan 0.000 0.453 5564 K N 0.650 121.051 120.400 0.002 0.000 2.097 5564 K HA -0.029 4.291 4.320 0.000 0.000 0.205 5564 K C 1.763 178.368 176.600 0.008 0.000 1.050 5564 K CA 0.932 57.221 56.287 0.005 0.000 0.938 5564 K CB -0.210 32.294 32.500 0.007 0.000 0.718 5564 K HN 0.084 nan 8.250 nan 0.000 0.442 5565 L N -0.169 121.060 121.223 0.010 0.000 2.056 5565 L HA -0.087 4.253 4.340 0.000 0.000 0.207 5565 L C 2.450 179.326 176.870 0.010 0.000 1.078 5565 L CA 1.202 56.049 54.840 0.012 0.000 0.749 5565 L CB -0.635 41.433 42.059 0.015 0.000 0.901 5565 L HN 0.254 nan 8.230 nan 0.000 0.433 5566 A N -0.156 122.669 122.820 0.009 0.000 1.933 5566 A HA -0.264 4.056 4.320 0.000 0.000 0.218 5566 A C 2.258 179.846 177.584 0.006 0.000 1.175 5566 A CA 1.889 53.930 52.037 0.008 0.000 0.628 5566 A CB -0.501 18.502 19.000 0.005 0.000 0.814 5566 A HN 0.494 nan 8.150 nan 0.000 0.444 5567 E N 0.319 120.522 120.200 0.005 0.000 2.031 5567 E HA -0.203 4.147 4.350 0.000 0.000 0.193 5567 E C 1.937 178.541 176.600 0.007 0.000 0.994 5567 E CA 1.758 58.161 56.400 0.005 0.000 0.800 5567 E CB -0.333 29.369 29.700 0.004 0.000 0.752 5567 E HN 0.773 nan 8.360 nan 0.000 0.447 5568 I N -1.660 118.916 120.570 0.009 0.000 2.676 5568 I HA -0.065 4.105 4.170 0.000 0.000 0.259 5568 I C 1.895 178.019 176.117 0.011 0.000 1.194 5568 I CA 0.509 61.816 61.300 0.011 0.000 1.473 5568 I CB -0.058 37.950 38.000 0.015 0.000 1.096 5568 I HN 0.044 nan 8.210 nan 0.000 0.443 5569 I N 0.838 121.414 120.570 0.010 0.000 2.406 5569 I HA -0.102 4.068 4.170 0.000 0.000 0.249 5569 I C 2.375 178.496 176.117 0.008 0.000 1.122 5569 I CA 1.053 62.358 61.300 0.009 0.000 1.431 5569 I CB -0.146 37.859 38.000 0.009 0.000 1.087 5569 I HN 0.042 nan 8.210 nan 0.000 0.424 5570 V N 0.186 120.105 119.914 0.008 0.000 2.453 5570 V HA -0.158 3.962 4.120 0.000 0.000 0.247 5570 V C 2.389 178.487 176.094 0.007 0.000 1.048 5570 V CA 1.362 63.666 62.300 0.007 0.000 1.049 5570 V CB -0.583 31.244 31.823 0.006 0.000 0.672 5570 V HN 0.359 nan 8.190 nan 0.000 0.457 5571 E N 0.525 120.730 120.200 0.008 0.000 2.106 5571 E HA -0.139 4.211 4.350 0.000 0.000 0.192 5571 E C 2.371 178.976 176.600 0.010 0.000 0.984 5571 E CA 1.374 57.779 56.400 0.009 0.000 0.806 5571 E CB -0.410 29.296 29.700 0.010 0.000 0.750 5571 E HN 0.559 nan 8.360 nan 0.000 0.458 5572 A N 1.089 123.915 122.820 0.009 0.000 1.902 5572 A HA -0.145 4.175 4.320 0.000 0.000 0.217 5572 A C 2.614 180.202 177.584 0.007 0.000 1.181 5572 A CA 1.509 53.550 52.037 0.008 0.000 0.623 5572 A CB -0.660 18.343 19.000 0.007 0.000 0.818 5572 A HN 0.131 nan 8.150 nan 0.000 0.443 5573 V N -0.337 119.581 119.914 0.006 0.000 2.307 5573 V HA -0.193 3.927 4.120 0.000 0.000 0.245 5573 V C 2.759 178.857 176.094 0.007 0.000 1.045 5573 V CA 2.283 64.587 62.300 0.006 0.000 1.024 5573 V CB -0.843 30.984 31.823 0.006 0.000 0.651 5573 V HN 0.545 nan 8.190 nan 0.000 0.449 5574 S N 0.185 115.889 115.700 0.008 0.000 2.400 5574 S HA -0.165 4.305 4.470 0.000 0.000 0.232 5574 S C 2.166 176.773 174.600 0.012 0.000 1.025 5574 S CA 1.355 59.560 58.200 0.009 0.000 0.993 5574 S CB -0.441 62.765 63.200 0.009 0.000 0.808 5574 S HN 0.646 nan 8.310 nan 0.000 0.478 5575 A N 1.172 123.999 122.820 0.012 0.000 1.873 5575 A HA -0.043 4.277 4.320 0.000 0.000 0.215 5575 A C 2.377 179.972 177.584 0.017 0.000 1.186 5575 A CA 1.757 53.803 52.037 0.016 0.000 0.616 5575 A CB -0.734 18.275 19.000 0.014 0.000 0.823 5575 A HN 0.561 nan 8.150 nan 0.000 0.442 5576 V N -3.411 116.510 119.914 0.011 0.000 3.174 5576 V HA 0.051 4.171 4.120 0.000 0.000 0.254 5576 V C 2.049 178.147 176.094 0.008 0.000 1.120 5576 V CA 1.219 63.525 62.300 0.009 0.000 1.114 5576 V CB -0.400 31.425 31.823 0.004 0.000 0.756 5576 V HN 0.192 nan 8.190 nan 0.000 0.467 5577 V N 0.734 120.652 119.914 0.007 0.000 2.626 5577 V HA -0.125 3.995 4.120 0.000 0.000 0.252 5577 V C 1.639 177.736 176.094 0.005 0.000 1.067 5577 V CA 2.550 64.853 62.300 0.005 0.000 1.081 5577 V CB -0.520 31.305 31.823 0.005 0.000 0.686 5577 V HN 0.848 nan 8.190 nan 0.000 0.468 5578 D N -0.732 119.673 120.400 0.008 0.000 4.438 5578 D HA -0.222 4.418 4.640 0.000 0.000 0.158 5578 D C 0.615 176.916 176.300 0.003 0.000 0.686 5578 D CA 1.959 55.963 54.000 0.006 0.000 1.183 5578 D CB -1.283 39.518 40.800 0.001 0.000 0.623 5578 D HN 0.586 nan 8.370 nan 0.000 0.521 5579 D N 1.134 121.533 120.400 -0.001 0.000 2.398 5579 D HA 0.317 4.957 4.640 0.000 0.000 0.247 5579 D C -0.311 175.989 176.300 -0.000 0.000 1.227 5579 D CA 0.210 54.209 54.000 -0.002 0.000 0.980 5579 D CB 0.492 41.289 40.800 -0.005 0.000 1.106 5579 D HN 0.118 nan 8.370 nan 0.000 0.493 5580 E N -0.408 119.792 120.200 -0.000 0.000 2.261 5580 E HA 0.618 4.968 4.350 0.000 0.000 0.239 5580 E C -0.236 176.364 176.600 0.000 0.000 0.991 5580 E CA -0.485 55.915 56.400 0.001 0.000 0.847 5580 E CB 0.971 30.671 29.700 0.001 0.000 1.223 5580 E HN 0.510 nan 8.360 nan 0.000 0.446 5581 G N 1.160 109.960 108.800 0.000 0.000 2.340 5581 G HA2 0.359 4.319 3.960 0.000 0.000 0.300 5581 G HA3 0.359 4.319 3.960 0.000 0.000 0.300 5581 G C -1.719 173.182 174.900 0.001 0.000 1.488 5581 G CA -0.906 44.194 45.100 0.001 0.000 0.878 5581 G HN 0.074 nan 8.290 nan 0.000 0.618 5582 K N 0.624 121.024 120.400 0.001 0.000 2.553 5582 K HA 0.572 4.892 4.320 0.000 0.000 0.250 5582 K C -1.326 175.275 176.600 0.001 0.000 0.953 5582 K CA -0.522 55.766 56.287 0.001 0.000 0.800 5582 K CB 2.150 34.650 32.500 -0.000 0.000 1.243 5582 K HN 0.527 nan 8.250 nan 0.000 0.435 5583 V N 3.291 123.205 119.914 0.002 0.000 2.398 5583 V HA 0.304 4.424 4.120 0.000 0.000 0.286 5583 V C -0.417 175.678 176.094 0.001 0.000 1.026 5583 V CA -0.712 61.589 62.300 0.001 0.000 0.868 5583 V CB 1.549 33.374 31.823 0.003 0.000 0.982 5583 V HN 0.652 nan 8.190 nan 0.000 0.443 5584 D N 3.477 123.876 120.400 -0.001 0.000 2.471 5584 D HA 0.317 4.957 4.640 0.000 0.000 0.245 5584 D C 0.739 177.037 176.300 -0.003 0.000 1.116 5584 D CA -0.583 53.416 54.000 -0.002 0.000 0.853 5584 D CB 1.790 42.588 40.800 -0.004 0.000 1.123 5584 D HN 0.417 nan 8.370 nan 0.000 0.540 5585 K N 1.989 122.387 120.400 -0.003 0.000 2.442 5585 K HA -0.139 4.181 4.320 0.000 0.000 0.198 5585 K C 0.915 177.510 176.600 -0.008 0.000 1.044 5585 K CA 0.757 57.042 56.287 -0.005 0.000 0.948 5585 K CB 0.262 32.760 32.500 -0.003 0.000 0.762 5585 K HN 0.362 nan 8.250 nan 0.000 0.472 5586 D N 0.331 120.725 120.400 -0.009 0.000 2.219 5586 D HA -0.113 4.527 4.640 0.000 0.000 0.205 5586 D C 1.075 177.365 176.300 -0.017 0.000 0.970 5586 D CA 0.707 54.699 54.000 -0.014 0.000 0.851 5586 D CB 0.242 41.034 40.800 -0.013 0.000 0.943 5586 D HN -0.027 nan 8.370 nan 0.000 0.488 5587 L N 0.524 121.739 121.223 -0.014 0.000 2.612 5587 L HA 0.246 4.586 4.340 0.000 0.000 0.230 5587 L C 0.055 176.916 176.870 -0.016 0.000 1.140 5587 L CA 0.470 55.301 54.840 -0.016 0.000 0.896 5587 L CB -0.525 41.528 42.059 -0.010 0.000 1.065 5587 L HN 0.160 nan 8.230 nan 0.000 0.447 5588 I N 0.319 120.880 120.570 -0.015 0.000 2.437 5588 I HA 0.196 4.367 4.170 0.000 0.000 0.279 5588 I C 0.319 176.425 176.117 -0.019 0.000 1.028 5588 I CA -0.351 60.940 61.300 -0.014 0.000 1.142 5588 I CB 1.700 39.696 38.000 -0.007 0.000 1.266 5588 I HN -0.038 nan 8.210 nan 0.000 0.461 5589 K N 6.470 126.853 120.400 -0.027 0.000 2.174 5589 K HA 0.478 4.798 4.320 0.000 0.000 0.275 5589 K C -0.710 175.872 176.600 -0.030 0.000 1.015 5589 K CA -0.543 55.723 56.287 -0.035 0.000 0.933 5589 K CB 1.062 33.531 32.500 -0.053 0.000 1.025 5589 K HN 0.438 nan 8.250 nan 0.000 0.463 5590 I N 4.692 125.245 120.570 -0.028 0.000 2.337 5590 I HA 0.238 4.408 4.170 0.000 0.000 0.285 5590 I C -0.153 175.946 176.117 -0.030 0.000 1.041 5590 I CA -0.406 60.880 61.300 -0.022 0.000 1.199 5590 I CB 0.958 38.948 38.000 -0.016 0.000 1.370 5590 I HN 0.611 nan 8.210 nan 0.000 0.470 5591 E N 6.322 126.503 120.200 -0.031 0.000 2.202 5591 E HA 0.516 4.866 4.350 0.000 0.000 0.272 5591 E C -0.363 176.226 176.600 -0.019 0.000 0.951 5591 E CA -0.643 55.735 56.400 -0.037 0.000 0.813 5591 E CB 2.953 32.617 29.700 -0.062 0.000 1.151 5591 E HN 0.507 nan 8.360 nan 0.000 0.398 5592 K N 0.584 120.973 120.400 -0.018 0.000 2.468 5592 K HA 0.674 4.994 4.320 0.000 0.000 0.252 5592 K C -0.960 175.637 176.600 -0.005 0.000 0.932 5592 K CA -1.050 55.232 56.287 -0.008 0.000 0.794 5592 K CB 2.147 34.639 32.500 -0.014 0.000 1.241 5592 K HN 0.132 nan 8.250 nan 0.000 0.428 5593 K N 1.636 122.041 120.400 0.008 0.000 2.619 5593 K HA 0.187 4.507 4.320 0.000 0.000 0.251 5593 K C -1.087 175.525 176.600 0.020 0.000 0.987 5593 K CA -0.322 55.974 56.287 0.014 0.000 0.844 5593 K CB 1.811 34.327 32.500 0.027 0.000 1.237 5593 K HN 0.835 nan 8.250 nan 0.000 0.447 5594 S N 1.862 117.572 115.700 0.016 0.000 2.576 5594 S HA 0.695 5.165 4.470 0.000 0.000 0.272 5594 S C 0.496 175.111 174.600 0.025 0.000 1.352 5594 S CA 0.325 58.538 58.200 0.022 0.000 1.021 5594 S CB 0.700 63.914 63.200 0.024 0.000 0.887 5594 S HN 1.338 nan 8.310 nan 0.000 0.542 5595 G N -0.110 108.705 108.800 0.026 0.000 2.453 5595 G HA2 0.505 4.465 3.960 0.000 0.000 0.665 5595 G HA3 0.505 4.465 3.960 0.000 0.000 0.665 5595 G C -0.132 174.782 174.900 0.023 0.000 1.411 5595 G CA -0.132 44.983 45.100 0.024 0.000 0.889 5595 G HN 2.321 nan 8.290 nan 0.000 0.651 5596 A N -0.407 122.425 122.820 0.020 0.000 6.088 5596 A HA 0.406 4.726 4.320 0.000 0.000 0.261 5596 A C 1.369 178.964 177.584 0.018 0.000 2.138 5596 A CA 2.037 54.084 52.037 0.017 0.000 0.708 5596 A CB -1.814 17.197 19.000 0.018 0.000 1.068 5596 A HN 2.923 nan 8.150 nan 0.000 0.364 5597 S N -1.509 114.202 115.700 0.017 0.000 2.766 5597 S HA 0.781 5.251 4.470 0.000 0.000 0.307 5597 S C 1.071 175.682 174.600 0.019 0.000 1.121 5597 S CA -0.085 58.125 58.200 0.017 0.000 0.980 5597 S CB 1.089 64.297 63.200 0.014 0.000 1.159 5597 S HN 1.123 nan 8.310 nan 0.000 0.546 5598 I N 0.580 121.161 120.570 0.019 0.000 2.493 5598 I HA -0.093 4.077 4.170 0.000 0.000 0.254 5598 I C 2.166 178.293 176.117 0.017 0.000 1.160 5598 I CA 1.432 62.744 61.300 0.019 0.000 1.445 5598 I CB -0.492 37.520 38.000 0.020 0.000 1.086 5598 I HN 0.780 nan 8.210 nan 0.000 0.433 5599 D N 1.372 121.781 120.400 0.014 0.000 2.182 5599 D HA -0.223 4.417 4.640 0.000 0.000 0.201 5599 D C 1.387 177.694 176.300 0.013 0.000 0.986 5599 D CA 1.379 55.386 54.000 0.012 0.000 0.847 5599 D CB -0.024 40.781 40.800 0.009 0.000 0.942 5599 D HN 0.340 nan 8.370 nan 0.000 0.467 5600 D N -0.883 119.526 120.400 0.015 0.000 2.348 5600 D HA -0.019 4.621 4.640 0.000 0.000 0.216 5600 D C 0.247 176.561 176.300 0.024 0.000 0.970 5600 D CA 0.509 54.519 54.000 0.017 0.000 0.889 5600 D CB -0.069 40.742 40.800 0.017 0.000 0.912 5600 D HN 0.094 nan 8.370 nan 0.000 0.524 5601 T N 1.614 116.183 114.554 0.025 0.000 2.933 5601 T HA 0.099 4.449 4.350 0.000 0.000 0.306 5601 T C 0.271 174.989 174.700 0.031 0.000 1.045 5601 T CA 0.279 62.398 62.100 0.030 0.000 1.143 5601 T CB 0.339 69.222 68.868 0.024 0.000 1.003 5601 T HN 0.312 nan 8.240 nan 0.000 0.540 5602 E N 1.759 121.984 120.200 0.042 0.000 2.408 5602 E HA 0.602 4.952 4.350 0.000 0.000 0.275 5602 E C -1.561 175.071 176.600 0.053 0.000 0.935 5602 E CA -1.175 55.251 56.400 0.044 0.000 0.775 5602 E CB 1.257 30.985 29.700 0.047 0.000 1.277 5602 E HN 0.338 nan 8.360 nan 0.000 0.455 5603 L N 1.965 123.215 121.223 0.045 0.000 2.289 5603 L HA 0.477 4.817 4.340 0.000 0.000 0.285 5603 L C -1.429 175.478 176.870 0.061 0.000 1.049 5603 L CA -0.489 54.377 54.840 0.044 0.000 0.804 5603 L CB 1.061 43.137 42.059 0.028 0.000 1.195 5603 L HN 0.600 nan 8.230 nan 0.000 0.428 5604 I N 5.081 125.695 120.570 0.073 0.000 2.354 5604 I HA 0.289 4.460 4.170 0.000 0.000 0.286 5604 I C 0.206 176.359 176.117 0.060 0.000 1.007 5604 I CA -0.294 61.067 61.300 0.101 0.000 1.167 5604 I CB 1.186 39.291 38.000 0.176 0.000 1.320 5604 I HN 0.522 nan 8.210 nan 0.000 0.458 5605 K N 6.046 126.475 120.400 0.050 0.000 2.054 5605 K HA 0.474 4.794 4.320 0.000 0.000 0.242 5605 K C 0.323 176.941 176.600 0.030 0.000 1.157 5605 K CA 0.258 56.563 56.287 0.030 0.000 1.079 5605 K CB -0.406 32.106 32.500 0.020 0.000 1.331 5605 K HN 0.947 nan 8.250 nan 0.000 0.317 5606 G N 0.566 109.380 108.800 0.022 0.000 2.491 5606 G HA2 0.062 4.022 3.960 0.000 0.000 0.183 5606 G HA3 0.062 4.022 3.960 0.000 0.000 0.183 5606 G C -1.647 173.243 174.900 -0.017 0.000 1.221 5606 G CA -0.647 44.459 45.100 0.010 0.000 0.996 5606 G HN 0.170 nan 8.290 nan 0.000 0.474 5607 V N 0.804 120.694 119.914 -0.041 0.000 2.487 5607 V HA 0.704 4.824 4.120 0.000 0.000 0.298 5607 V C -0.832 175.176 176.094 -0.143 0.000 1.028 5607 V CA -0.594 61.645 62.300 -0.102 0.000 0.860 5607 V CB 1.452 33.184 31.823 -0.153 0.000 0.991 5607 V HN 0.945 nan 8.190 nan 0.000 0.427 5608 L N 7.518 128.620 121.223 -0.201 0.000 2.305 5608 L HA 0.838 5.178 4.340 0.000 0.000 0.284 5608 L C -0.366 176.337 176.870 -0.279 0.000 1.013 5608 L CA -0.173 54.448 54.840 -0.365 0.000 0.819 5608 L CB 1.685 43.431 42.059 -0.522 0.000 1.227 5608 L HN 0.581 nan 8.230 nan 0.000 0.417 5609 V N 1.566 121.329 119.914 -0.252 0.000 2.715 5609 V HA 0.632 4.752 4.120 0.000 0.000 0.310 5609 V C -0.351 175.672 176.094 -0.120 0.000 1.054 5609 V CA -0.517 61.691 62.300 -0.153 0.000 0.928 5609 V CB 1.788 33.547 31.823 -0.106 0.000 1.007 5609 V HN 0.823 nan 8.190 nan 0.000 0.437 5610 D N 1.663 122.017 120.400 -0.076 0.000 3.134 5610 D HA 0.253 4.893 4.640 0.000 0.000 0.248 5610 D C 0.051 176.348 176.300 -0.004 0.000 1.273 5610 D CA -0.185 53.788 54.000 -0.045 0.000 0.904 5610 D CB -0.003 40.773 40.800 -0.040 0.000 1.089 5610 D HN 0.504 nan 8.370 nan 0.000 0.478 5611 K N 0.714 121.127 120.400 0.021 0.000 2.306 5611 K HA 0.412 4.732 4.320 0.000 0.000 0.236 5611 K C 0.525 177.157 176.600 0.053 0.000 1.013 5611 K CA -0.650 55.669 56.287 0.054 0.000 0.857 5611 K CB 2.336 34.905 32.500 0.114 0.000 1.214 5611 K HN 0.359 nan 8.250 nan 0.000 0.449 5612 E N 0.928 121.153 120.200 0.042 0.000 2.359 5612 E HA 0.360 4.710 4.350 0.000 0.000 0.266 5612 E C -0.686 175.920 176.600 0.010 0.000 0.920 5612 E CA -0.934 55.484 56.400 0.030 0.000 0.788 5612 E CB 1.282 30.997 29.700 0.023 0.000 1.279 5612 E HN 0.214 nan 8.360 nan 0.000 0.438 5613 R N 1.371 121.872 120.500 0.002 0.000 2.296 5613 R HA 0.097 4.437 4.340 0.000 0.000 0.323 5613 R C 1.379 177.671 176.300 -0.013 0.000 1.067 5613 R CA 0.230 56.319 56.100 -0.020 0.000 0.946 5613 R CB 0.415 30.705 30.300 -0.018 0.000 0.991 5613 R HN 0.568 nan 8.270 nan 0.000 0.448 5614 V N 0.010 119.912 119.914 -0.020 0.000 2.720 5614 V HA -0.090 4.030 4.120 0.000 0.000 0.256 5614 V C 0.923 177.014 176.094 -0.004 0.000 1.082 5614 V CA 1.148 63.443 62.300 -0.009 0.000 1.101 5614 V CB -0.255 31.562 31.823 -0.009 0.000 0.693 5614 V HN 0.521 nan 8.190 nan 0.000 0.479 5615 S N -1.077 114.620 115.700 -0.005 0.000 2.526 5615 S HA 0.777 5.247 4.470 0.000 0.000 0.293 5615 S C 0.897 175.495 174.600 -0.004 0.000 1.092 5615 S CA -0.135 58.064 58.200 -0.002 0.000 0.980 5615 S CB 1.875 65.083 63.200 0.013 0.000 1.048 5615 S HN 0.708 nan 8.310 nan 0.000 0.483 5616 A N 2.952 125.767 122.820 -0.009 0.000 2.019 5616 A HA -0.083 4.237 4.320 0.000 0.000 0.219 5616 A C 1.907 179.491 177.584 -0.001 0.000 1.164 5616 A CA 1.721 53.754 52.037 -0.006 0.000 0.644 5616 A CB -0.651 18.341 19.000 -0.012 0.000 0.805 5616 A HN 0.901 nan 8.150 nan 0.000 0.449 5617 Q N -1.086 118.717 119.800 0.005 0.000 2.389 5617 Q HA 0.129 4.469 4.340 0.000 0.000 0.204 5617 Q C 0.491 176.503 176.000 0.020 0.000 0.944 5617 Q CA -0.095 55.720 55.803 0.020 0.000 0.908 5617 Q CB -0.099 28.667 28.738 0.046 0.000 1.002 5617 Q HN 0.675 nan 8.270 nan 0.000 0.493 5618 M N 2.290 121.896 119.600 0.011 0.000 2.243 5618 M HA 0.185 4.665 4.480 0.000 0.000 0.341 5618 M C -2.025 174.271 176.300 -0.005 0.000 1.130 5618 M CA -1.785 53.514 55.300 -0.001 0.000 1.162 5618 M CB 0.404 32.995 32.600 -0.014 0.000 1.497 5618 M HN -0.044 nan 8.290 nan 0.000 0.456 5619 P HA 0.007 nan 4.420 nan 0.000 0.266 5619 P C -0.515 176.780 177.300 -0.009 0.000 1.193 5619 P CA 0.314 63.408 63.100 -0.010 0.000 0.770 5619 P CB 0.441 32.132 31.700 -0.015 0.000 0.836 5620 K N 0.949 121.348 120.400 -0.001 0.000 2.367 5620 K HA 0.108 4.428 4.320 0.000 0.000 0.194 5620 K C 0.509 177.116 176.600 0.012 0.000 1.027 5620 K CA 0.349 56.639 56.287 0.006 0.000 1.075 5620 K CB 0.348 32.853 32.500 0.009 0.000 0.845 5620 K HN 0.330 nan 8.250 nan 0.000 0.529 5621 K N 0.973 121.377 120.400 0.006 0.000 2.550 5621 K HA 0.257 4.577 4.320 0.000 0.000 0.252 5621 K C -1.835 174.767 176.600 0.004 0.000 0.943 5621 K CA -0.494 55.799 56.287 0.010 0.000 0.806 5621 K CB 2.084 34.587 32.500 0.005 0.000 1.289 5621 K HN -0.239 nan 8.250 nan 0.000 0.435 5622 V N 2.887 122.807 119.914 0.010 0.000 2.531 5622 V HA 0.448 4.568 4.120 0.000 0.000 0.301 5622 V C -0.277 175.825 176.094 0.013 0.000 1.034 5622 V CA -0.716 61.588 62.300 0.006 0.000 0.865 5622 V CB 1.755 33.579 31.823 0.001 0.000 0.995 5622 V HN 0.936 nan 8.190 nan 0.000 0.424 5623 T N -0.087 114.471 114.554 0.007 0.000 2.859 5623 T HA 0.556 4.906 4.350 0.000 0.000 0.281 5623 T C -0.004 174.700 174.700 0.007 0.000 1.005 5623 T CA -0.334 61.770 62.100 0.007 0.000 1.025 5623 T CB 1.301 70.170 68.868 0.002 0.000 0.977 5623 T HN 0.778 nan 8.240 nan 0.000 0.458 5624 D N 0.666 121.071 120.400 0.008 0.000 2.697 5624 D HA -0.147 4.493 4.640 0.000 0.000 0.238 5624 D C 0.332 176.639 176.300 0.012 0.000 1.152 5624 D CA 0.867 54.872 54.000 0.008 0.000 0.666 5624 D CB -1.224 39.578 40.800 0.003 0.000 1.037 5624 D HN 1.118 nan 8.370 nan 0.000 0.423 5625 A N 1.488 124.320 122.820 0.020 0.000 2.462 5625 A HA 0.408 4.728 4.320 0.000 0.000 0.243 5625 A C 0.491 178.093 177.584 0.029 0.000 1.076 5625 A CA 0.126 52.178 52.037 0.026 0.000 0.773 5625 A CB 0.605 19.632 19.000 0.045 0.000 1.010 5625 A HN 0.160 nan 8.150 nan 0.000 0.493 5626 K N 2.638 123.051 120.400 0.023 0.000 2.389 5626 K HA 0.419 4.739 4.320 0.000 0.000 0.261 5626 K C -1.317 175.304 176.600 0.035 0.000 1.014 5626 K CA -0.163 56.139 56.287 0.024 0.000 0.920 5626 K CB 1.066 33.572 32.500 0.010 0.000 1.149 5626 K HN 0.530 nan 8.250 nan 0.000 0.444 5627 I N 2.073 122.681 120.570 0.063 0.000 2.331 5627 I HA 0.281 4.451 4.170 0.000 0.000 0.292 5627 I C 0.280 176.452 176.117 0.093 0.000 0.998 5627 I CA -0.317 61.049 61.300 0.109 0.000 1.267 5627 I CB 1.612 39.718 38.000 0.176 0.000 1.386 5627 I HN 0.502 nan 8.210 nan 0.000 0.476 5628 A N 7.371 130.246 122.820 0.092 0.000 2.330 5628 A HA 0.857 5.177 4.320 0.000 0.000 0.327 5628 A C -0.765 176.892 177.584 0.120 0.000 1.155 5628 A CA -0.561 51.521 52.037 0.075 0.000 0.803 5628 A CB 0.733 19.753 19.000 0.033 0.000 1.208 5628 A HN 0.674 nan 8.150 nan 0.000 0.477 5629 L N 3.183 124.462 121.223 0.094 0.000 2.324 5629 L HA 0.371 4.711 4.340 0.000 0.000 0.274 5629 L C -1.257 175.652 176.870 0.064 0.000 1.012 5629 L CA -0.552 54.347 54.840 0.098 0.000 0.859 5629 L CB 1.039 43.138 42.059 0.065 0.000 1.224 5629 L HN 0.499 nan 8.230 nan 0.000 0.429 5630 L N 2.772 124.036 121.223 0.068 0.000 2.309 5630 L HA 0.357 4.697 4.340 0.000 0.000 0.282 5630 L C 0.739 177.635 176.870 0.043 0.000 1.036 5630 L CA 0.210 55.077 54.840 0.045 0.000 0.806 5630 L CB 1.492 43.573 42.059 0.036 0.000 1.220 5630 L HN 0.422 nan 8.230 nan 0.000 0.429 5631 N N 0.461 119.179 118.700 0.030 0.000 2.407 5631 N HA 0.008 4.748 4.740 0.000 0.000 0.182 5631 N C 0.125 175.648 175.510 0.022 0.000 1.079 5631 N CA 0.012 53.077 53.050 0.025 0.000 0.882 5631 N CB 0.377 38.875 38.487 0.019 0.000 1.106 5631 N HN 0.586 nan 8.380 nan 0.000 0.461 5632 C N 1.913 121.225 119.300 0.020 0.000 2.585 5632 C HA 0.746 5.206 4.460 0.000 0.000 0.406 5632 C C 0.843 175.845 174.990 0.019 0.000 1.312 5632 C CA -0.959 58.069 59.018 0.018 0.000 1.924 5632 C CB -1.442 26.307 27.740 0.016 0.000 2.578 5632 C HN 0.507 nan 8.230 nan 0.000 0.580 5633 A N 6.294 129.125 122.820 0.018 0.000 2.540 5633 A HA 0.305 4.625 4.320 0.000 0.000 0.239 5633 A C 0.328 177.923 177.584 0.019 0.000 1.061 5633 A CA 0.120 52.169 52.037 0.019 0.000 0.758 5633 A CB -0.046 18.964 19.000 0.017 0.000 0.991 5633 A HN 0.898 nan 8.150 nan 0.000 0.502 5634 I N 2.588 123.170 120.570 0.020 0.000 2.204 5634 I HA 0.135 4.305 4.170 0.000 0.000 0.291 5634 I C -0.057 176.074 176.117 0.025 0.000 1.153 5634 I CA 0.615 61.928 61.300 0.022 0.000 1.546 5634 I CB -0.557 37.455 38.000 0.021 0.000 1.490 5634 I HN 0.627 nan 8.210 nan 0.000 0.697 5635 E N 4.661 124.874 120.200 0.022 0.000 2.302 5635 E HA 0.397 4.747 4.350 0.000 0.000 0.263 5635 E C -0.989 175.623 176.600 0.019 0.000 0.897 5635 E CA -0.599 55.814 56.400 0.021 0.000 0.809 5635 E CB 2.043 31.754 29.700 0.018 0.000 1.270 5635 E HN 0.235 nan 8.360 nan 0.000 0.410 5636 E N 1.902 122.114 120.200 0.020 0.000 2.275 5636 E HA 0.235 4.585 4.350 0.000 0.000 0.270 5636 E C -0.739 175.869 176.600 0.014 0.000 0.882 5636 E CA -0.612 55.798 56.400 0.017 0.000 0.758 5636 E CB 2.270 31.982 29.700 0.019 0.000 1.195 5636 E HN 0.286 nan 8.360 nan 0.000 0.419 5637 T N 1.491 116.051 114.554 0.010 0.000 2.946 5637 T HA 0.359 4.709 4.350 0.000 0.000 0.311 5637 T C 0.180 174.883 174.700 0.005 0.000 1.063 5637 T CA 0.839 62.944 62.100 0.007 0.000 1.139 5637 T CB 0.287 69.159 68.868 0.006 0.000 0.994 5637 T HN 0.732 nan 8.240 nan 0.000 0.547 5638 A N 2.898 125.719 122.820 0.002 0.000 2.435 5638 A HA -0.084 4.236 4.320 0.000 0.000 0.686 5638 A C 1.365 178.945 177.584 -0.006 0.000 0.138 5638 A CA 0.081 52.116 52.037 -0.003 0.000 0.024 5638 A CB -1.532 17.466 19.000 -0.004 0.000 3.974 5638 A HN 0.800 nan 8.150 nan 0.000 0.548 5639 S N 0.522 116.211 115.700 -0.018 0.000 2.406 5639 S HA -0.078 4.392 4.470 0.000 0.000 0.228 5639 S C 1.689 176.262 174.600 -0.045 0.000 1.020 5639 S CA 1.333 59.512 58.200 -0.035 0.000 0.965 5639 S CB -0.173 62.995 63.200 -0.054 0.000 0.798 5639 S HN 0.735 nan 8.310 nan 0.000 0.488 5640 E N 1.138 121.317 120.200 -0.036 0.000 2.072 5640 E HA -0.010 4.340 4.350 0.000 0.000 0.191 5640 E C 1.962 178.559 176.600 -0.006 0.000 0.985 5640 E CA 0.859 57.241 56.400 -0.030 0.000 0.801 5640 E CB -0.233 29.453 29.700 -0.023 0.000 0.750 5640 E HN 0.409 nan 8.360 nan 0.000 0.452 5641 M N 0.014 119.615 119.600 0.000 0.000 2.200 5641 M HA -0.065 4.415 4.480 0.000 0.000 0.265 5641 M C 2.316 178.630 176.300 0.024 0.000 1.066 5641 M CA 0.731 56.038 55.300 0.012 0.000 1.127 5641 M CB -0.810 31.795 32.600 0.009 0.000 1.379 5641 M HN 0.090 nan 8.290 nan 0.000 0.420 5642 L N 0.668 121.905 121.223 0.024 0.000 2.072 5642 L HA -0.069 4.271 4.340 0.000 0.000 0.205 5642 L C 2.120 179.037 176.870 0.079 0.000 1.079 5642 L CA 1.840 56.705 54.840 0.041 0.000 0.752 5642 L CB -0.569 41.510 42.059 0.034 0.000 0.906 5642 L HN 0.162 nan 8.230 nan 0.000 0.436 5643 K N -0.674 119.772 120.400 0.077 0.000 2.283 5643 K HA -0.170 4.150 4.320 0.000 0.000 0.202 5643 K C 1.691 178.419 176.600 0.212 0.000 1.048 5643 K CA 1.084 57.482 56.287 0.185 0.000 0.948 5643 K CB -0.157 32.303 32.500 -0.067 0.000 0.742 5643 K HN 0.315 nan 8.250 nan 0.000 0.458 5644 D N 0.839 121.301 120.400 0.103 0.000 2.117 5644 D HA -0.131 4.509 4.640 0.000 0.000 0.197 5644 D C 1.796 178.134 176.300 0.064 0.000 0.987 5644 D CA 1.101 55.148 54.000 0.077 0.000 0.829 5644 D CB 0.174 40.999 40.800 0.043 0.000 0.961 5644 D HN -0.012 nan 8.370 nan 0.000 0.460 5645 M N -0.043 119.592 119.600 0.058 0.000 2.117 5645 M HA -0.096 4.384 4.480 0.000 0.000 0.262 5645 M C 2.332 178.647 176.300 0.024 0.000 1.065 5645 M CA 0.640 55.962 55.300 0.037 0.000 1.114 5645 M CB -0.878 31.743 32.600 0.035 0.000 1.361 5645 M HN -0.017 nan 8.290 nan 0.000 0.408 5646 V N 0.479 120.420 119.914 0.045 0.000 2.358 5646 V HA -0.193 3.927 4.120 0.000 0.000 0.246 5646 V C 2.717 178.751 176.094 -0.100 0.000 1.047 5646 V CA 1.724 64.007 62.300 -0.027 0.000 1.035 5646 V CB -1.331 30.496 31.823 0.006 0.000 0.658 5646 V HN 0.474 nan 8.190 nan 0.000 0.452 5647 A N -0.463 122.348 122.820 -0.015 0.000 1.930 5647 A HA -0.222 4.098 4.320 0.000 0.000 0.217 5647 A C 2.177 179.746 177.584 -0.025 0.000 1.175 5647 A CA 1.753 53.777 52.037 -0.021 0.000 0.627 5647 A CB -0.419 18.631 19.000 0.085 0.000 0.815 5647 A HN 0.614 nan 8.150 nan 0.000 0.443 5648 E N -0.386 119.810 120.200 -0.006 0.000 2.106 5648 E HA -0.116 4.234 4.350 0.000 0.000 0.192 5648 E C 1.837 178.426 176.600 -0.019 0.000 0.984 5648 E CA 0.992 57.389 56.400 -0.006 0.000 0.806 5648 E CB -0.250 29.452 29.700 0.005 0.000 0.750 5648 E HN 0.709 nan 8.360 nan 0.000 0.458 5649 I N 1.115 121.666 120.570 -0.032 0.000 2.179 5649 I HA -0.281 3.889 4.170 0.000 0.000 0.242 5649 I C 2.485 178.572 176.117 -0.050 0.000 1.088 5649 I CA 1.059 62.336 61.300 -0.038 0.000 1.357 5649 I CB -0.151 37.819 38.000 -0.050 0.000 1.051 5649 I HN -0.021 nan 8.210 nan 0.000 0.409 5650 K N 1.630 121.984 120.400 -0.076 0.000 2.057 5650 K HA -0.124 4.196 4.320 0.000 0.000 0.207 5650 K C 2.038 178.610 176.600 -0.047 0.000 1.049 5650 K CA 1.726 57.966 56.287 -0.079 0.000 0.931 5650 K CB -0.406 32.021 32.500 -0.121 0.000 0.714 5650 K HN 0.276 nan 8.250 nan 0.000 0.440 5651 A N -0.099 122.699 122.820 -0.036 0.000 1.933 5651 A HA -0.122 4.198 4.320 0.000 0.000 0.218 5651 A C 2.177 179.753 177.584 -0.014 0.000 1.175 5651 A CA 2.090 54.115 52.037 -0.019 0.000 0.628 5651 A CB -0.757 18.237 19.000 -0.010 0.000 0.814 5651 A HN 0.366 nan 8.150 nan 0.000 0.444 5652 S N -1.742 113.950 115.700 -0.014 0.000 2.474 5652 S HA 0.247 4.717 4.470 0.000 0.000 0.235 5652 S C 1.509 176.104 174.600 -0.008 0.000 0.997 5652 S CA 1.160 59.355 58.200 -0.008 0.000 0.949 5652 S CB -0.141 63.056 63.200 -0.005 0.000 0.766 5652 S HN 1.679 nan 8.310 nan 0.000 0.517 5653 G N 0.686 109.477 108.800 -0.015 0.000 2.159 5653 G HA2 -0.128 3.832 3.960 0.000 0.000 0.227 5653 G HA3 -0.128 3.832 3.960 0.000 0.000 0.227 5653 G C 0.108 174.998 174.900 -0.017 0.000 0.986 5653 G CA -0.176 44.915 45.100 -0.015 0.000 0.651 5653 G HN 0.828 nan 8.290 nan 0.000 0.523 5654 A N 0.037 122.845 122.820 -0.021 0.000 2.477 5654 A HA 0.637 4.957 4.320 0.000 0.000 0.246 5654 A C 1.106 178.668 177.584 -0.037 0.000 1.078 5654 A CA 0.722 52.746 52.037 -0.021 0.000 0.770 5654 A CB 0.217 19.205 19.000 -0.020 0.000 1.011 5654 A HN 0.333 nan 8.150 nan 0.000 0.494 5655 N N 0.607 119.287 118.700 -0.032 0.000 2.257 5655 N HA 0.125 4.865 4.740 0.000 0.000 0.200 5655 N C -0.678 174.794 175.510 -0.063 0.000 1.163 5655 N CA 0.448 53.471 53.050 -0.044 0.000 0.891 5655 N CB 1.046 39.516 38.487 -0.029 0.000 1.067 5655 N HN 0.383 nan 8.380 nan 0.000 0.497 5656 V N 2.510 122.387 119.914 -0.062 0.000 2.540 5656 V HA 0.458 4.578 4.120 0.000 0.000 0.302 5656 V C -0.695 175.312 176.094 -0.145 0.000 1.035 5656 V CA -0.733 61.492 62.300 -0.125 0.000 0.873 5656 V CB 2.993 34.781 31.823 -0.058 0.000 0.992 5656 V HN 0.023 nan 8.190 nan 0.000 0.428 5657 L N 5.628 126.678 121.223 -0.287 0.000 2.446 5657 L HA 0.604 4.944 4.340 0.000 0.000 0.268 5657 L C -1.830 174.829 176.870 -0.351 0.000 0.975 5657 L CA -0.102 54.616 54.840 -0.203 0.000 0.848 5657 L CB 1.470 43.455 42.059 -0.123 0.000 1.225 5657 L HN 0.581 nan 8.230 nan 0.000 0.410 5658 F N 4.418 124.366 119.950 -0.004 0.000 2.388 5658 F HA 0.336 4.863 4.527 -0.000 0.000 0.358 5658 F C 0.525 176.323 175.800 -0.004 0.000 1.122 5658 F CA -0.407 57.590 58.000 -0.005 0.000 1.056 5658 F CB 1.350 40.346 39.000 -0.007 0.000 1.155 5658 F HN 0.445 nan 8.300 nan 0.000 0.461 5659 C N 5.261 124.643 119.300 0.137 0.000 2.303 5659 C HA 0.218 4.678 4.460 0.000 0.000 0.326 5659 C C 1.629 176.670 174.990 0.085 0.000 1.285 5659 C CA -0.463 58.606 59.018 0.084 0.000 1.675 5659 C CB 0.644 28.410 27.740 0.042 0.000 2.289 5659 C HN 0.952 nan 8.230 nan 0.000 0.512 5660 Q N 3.200 123.039 119.800 0.066 0.000 2.124 5660 Q HA -0.054 4.286 4.340 0.000 0.000 0.202 5660 Q C 1.088 177.109 176.000 0.035 0.000 0.977 5660 Q CA 1.591 57.421 55.803 0.046 0.000 0.850 5660 Q CB 0.198 28.954 28.738 0.030 0.000 0.901 5660 Q HN 0.704 nan 8.270 nan 0.000 0.429 5661 K N -0.712 119.707 120.400 0.031 0.000 2.842 5661 K HA 0.350 4.670 4.320 0.000 0.000 0.310 5661 K C 0.495 177.110 176.600 0.026 0.000 0.992 5661 K CA 0.058 56.360 56.287 0.024 0.000 1.207 5661 K CB -0.739 31.773 32.500 0.020 0.000 1.478 5661 K HN 0.131 nan 8.250 nan 0.000 0.601 5662 G N 0.261 109.073 108.800 0.021 0.000 2.562 5662 G HA2 0.534 4.494 3.960 0.000 0.000 0.275 5662 G HA3 0.534 4.494 3.960 0.000 0.000 0.275 5662 G C -0.472 174.440 174.900 0.019 0.000 1.196 5662 G CA -0.557 44.554 45.100 0.019 0.000 0.908 5662 G HN 0.313 nan 8.290 nan 0.000 0.524 5663 I N 0.677 121.258 120.570 0.018 0.000 2.478 5663 I HA 0.166 4.336 4.170 0.000 0.000 0.287 5663 I C -0.529 175.601 176.117 0.022 0.000 1.042 5663 I CA -0.766 60.545 61.300 0.019 0.000 1.067 5663 I CB 2.037 40.044 38.000 0.012 0.000 1.233 5663 I HN 0.415 nan 8.210 nan 0.000 0.431 5664 D N 4.932 125.348 120.400 0.027 0.000 2.414 5664 D HA -0.049 4.591 4.640 0.000 0.000 0.242 5664 D C 0.612 176.936 176.300 0.040 0.000 1.129 5664 D CA 0.174 54.193 54.000 0.031 0.000 0.885 5664 D CB 1.341 42.161 40.800 0.033 0.000 1.198 5664 D HN 0.484 nan 8.370 nan 0.000 0.437 5665 D N 2.790 123.211 120.400 0.036 0.000 2.158 5665 D HA -0.185 4.455 4.640 0.000 0.000 0.197 5665 D C 1.771 178.118 176.300 0.079 0.000 0.995 5665 D CA 0.609 54.634 54.000 0.042 0.000 0.846 5665 D CB -0.032 40.783 40.800 0.024 0.000 0.941 5665 D HN 0.454 nan 8.370 nan 0.000 0.456 5666 L N 0.189 121.461 121.223 0.082 0.000 2.056 5666 L HA -0.140 4.200 4.340 0.000 0.000 0.207 5666 L C 2.184 179.136 176.870 0.136 0.000 1.078 5666 L CA 1.417 56.325 54.840 0.112 0.000 0.749 5666 L CB -0.165 41.934 42.059 0.067 0.000 0.901 5666 L HN -0.021 nan 8.230 nan 0.000 0.433 5667 A N -0.639 122.244 122.820 0.105 0.000 1.933 5667 A HA -0.250 4.070 4.320 0.000 0.000 0.218 5667 A C 2.085 179.733 177.584 0.107 0.000 1.175 5667 A CA 1.643 53.747 52.037 0.110 0.000 0.628 5667 A CB -0.485 18.556 19.000 0.069 0.000 0.814 5667 A HN 0.638 nan 8.150 nan 0.000 0.444 5668 Q N -1.415 118.441 119.800 0.093 0.000 2.084 5668 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 5668 Q C 2.050 178.135 176.000 0.142 0.000 0.978 5668 Q CA 1.630 57.480 55.803 0.079 0.000 0.844 5668 Q CB -0.389 28.381 28.738 0.054 0.000 0.898 5668 Q HN 0.944 nan 8.270 nan 0.000 0.426 5669 H N -0.856 118.247 119.070 0.055 0.000 2.293 5669 H HA -0.197 4.359 4.556 0.000 0.000 0.300 5669 H C 1.943 177.351 175.328 0.134 0.000 1.082 5669 H CA 1.176 57.267 56.048 0.070 0.000 1.308 5669 H CB 0.112 29.908 29.762 0.057 0.000 1.375 5669 H HN 0.238 nan 8.280 nan 0.000 0.495 5670 Y N 1.304 121.599 120.300 -0.007 0.000 2.293 5670 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 5670 Y C 2.335 178.214 175.900 -0.036 0.000 1.137 5670 Y CA 0.924 58.968 58.100 -0.094 0.000 1.202 5670 Y CB -0.558 37.853 38.460 -0.082 0.000 0.990 5670 Y HN 0.206 nan 8.280 nan 0.000 0.537 5671 L N -0.576 120.643 121.223 -0.007 0.000 2.042 5671 L HA -0.255 4.085 4.340 0.000 0.000 0.210 5671 L C 2.713 179.543 176.870 -0.066 0.000 1.076 5671 L CA 1.340 56.120 54.840 -0.100 0.000 0.749 5671 L CB -0.882 41.149 42.059 -0.047 0.000 0.893 5671 L HN 0.234 nan 8.230 nan 0.000 0.432 5672 A N -0.162 122.668 122.820 0.018 0.000 1.933 5672 A HA -0.212 4.108 4.320 0.000 0.000 0.218 5672 A C 2.290 179.893 177.584 0.031 0.000 1.175 5672 A CA 1.581 53.640 52.037 0.036 0.000 0.628 5672 A CB -0.317 18.739 19.000 0.094 0.000 0.814 5672 A HN 0.331 nan 8.150 nan 0.000 0.444 5673 K N -0.406 120.023 120.400 0.048 0.000 2.211 5673 K HA -0.067 4.253 4.320 0.000 0.000 0.203 5673 K C 1.135 177.720 176.600 -0.024 0.000 1.050 5673 K CA 1.108 57.423 56.287 0.046 0.000 0.945 5673 K CB 0.025 32.605 32.500 0.134 0.000 0.732 5673 K HN 0.390 nan 8.250 nan 0.000 0.451 5674 E N -0.399 119.728 120.200 -0.122 0.000 2.479 5674 E HA 0.027 4.377 4.350 0.000 0.000 0.193 5674 E C 0.808 177.350 176.600 -0.097 0.000 1.049 5674 E CA 0.379 56.684 56.400 -0.158 0.000 0.870 5674 E CB 0.745 30.263 29.700 -0.304 0.000 0.944 5674 E HN 0.447 nan 8.360 nan 0.000 0.492 5675 G N 2.043 110.804 108.800 -0.066 0.000 2.160 5675 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 5675 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 5675 G C 0.236 175.101 174.900 -0.058 0.000 1.008 5675 G CA 0.179 45.252 45.100 -0.046 0.000 0.724 5675 G HN 0.265 nan 8.290 nan 0.000 0.514 5676 I N 0.937 121.460 120.570 -0.078 0.000 2.331 5676 I HA 0.438 4.608 4.170 0.000 0.000 0.292 5676 I C 0.984 177.051 176.117 -0.083 0.000 0.998 5676 I CA -1.154 60.094 61.300 -0.087 0.000 1.267 5676 I CB 1.632 39.567 38.000 -0.108 0.000 1.386 5676 I HN 0.143 nan 8.210 nan 0.000 0.476 5677 V N 3.746 123.602 119.914 -0.096 0.000 2.509 5677 V HA 0.915 5.035 4.120 0.000 0.000 0.284 5677 V C 0.049 176.034 176.094 -0.181 0.000 1.047 5677 V CA -0.261 61.970 62.300 -0.115 0.000 0.952 5677 V CB 1.162 32.920 31.823 -0.108 0.000 0.988 5677 V HN 0.829 nan 8.190 nan 0.000 0.469 5678 A N 3.602 126.321 122.820 -0.169 0.000 2.515 5678 A HA 1.007 5.327 4.320 0.000 0.000 0.298 5678 A C -0.350 177.130 177.584 -0.172 0.000 1.059 5678 A CA -0.298 51.621 52.037 -0.197 0.000 0.698 5678 A CB 1.857 20.790 19.000 -0.113 0.000 1.289 5678 A HN 2.349 nan 8.150 nan 0.000 0.404 5679 A N 1.756 124.459 122.820 -0.195 0.000 2.374 5679 A HA 0.773 5.093 4.320 0.000 0.000 0.305 5679 A C -0.081 177.504 177.584 0.003 0.000 1.053 5679 A CA -0.674 51.320 52.037 -0.071 0.000 0.726 5679 A CB 0.933 19.917 19.000 -0.027 0.000 1.229 5679 A HN 1.237 nan 8.150 nan 0.000 0.431 5680 R N 1.658 122.170 120.500 0.020 0.000 2.691 5680 R HA 0.734 5.074 4.340 0.000 0.000 0.259 5680 R C -0.401 175.926 176.300 0.046 0.000 1.048 5680 R CA -0.788 55.331 56.100 0.033 0.000 1.086 5680 R CB 0.447 30.758 30.300 0.020 0.000 1.166 5680 R HN 0.523 nan 8.270 nan 0.000 0.526 5681 R N -0.890 119.634 120.500 0.040 0.000 3.525 5681 R HA -0.109 4.231 4.340 0.000 0.000 0.276 5681 R C -0.745 175.580 176.300 0.041 0.000 1.116 5681 R CA 0.537 56.657 56.100 0.033 0.000 0.745 5681 R CB -2.605 27.709 30.300 0.024 0.000 1.185 5681 R HN 0.534 nan 8.270 nan 0.000 0.454 5682 V N 1.491 121.442 119.914 0.061 0.000 2.572 5682 V HA 0.049 4.169 4.120 0.000 0.000 0.291 5682 V C 1.474 177.582 176.094 0.023 0.000 1.039 5682 V CA -0.173 62.166 62.300 0.065 0.000 1.055 5682 V CB 1.235 33.132 31.823 0.123 0.000 0.969 5682 V HN 0.147 nan 8.190 nan 0.000 0.482 5683 K N 3.488 123.887 120.400 -0.001 0.000 2.484 5683 K HA -0.046 4.274 4.320 0.000 0.000 0.280 5683 K C 1.204 177.792 176.600 -0.021 0.000 1.013 5683 K CA -0.136 56.143 56.287 -0.014 0.000 1.029 5683 K CB 0.422 32.906 32.500 -0.027 0.000 0.902 5683 K HN 0.607 nan 8.250 nan 0.000 0.481 5684 K N 2.349 122.741 120.400 -0.014 0.000 2.103 5684 K HA -0.169 4.151 4.320 0.000 0.000 0.207 5684 K C 1.889 178.474 176.600 -0.026 0.000 1.048 5684 K CA 2.050 58.328 56.287 -0.014 0.000 0.930 5684 K CB -0.409 32.086 32.500 -0.008 0.000 0.716 5684 K HN 0.577 nan 8.250 nan 0.000 0.444 5685 S N 0.246 115.928 115.700 -0.030 0.000 2.368 5685 S HA -0.145 4.325 4.470 0.000 0.000 0.225 5685 S C 1.339 175.904 174.600 -0.058 0.000 1.030 5685 S CA 1.657 59.834 58.200 -0.038 0.000 0.999 5685 S CB -0.466 62.713 63.200 -0.035 0.000 0.844 5685 S HN 0.394 nan 8.310 nan 0.000 0.459 5686 D N 0.845 121.202 120.400 -0.072 0.000 2.218 5686 D HA -0.036 4.604 4.640 0.000 0.000 0.204 5686 D C 1.946 178.157 176.300 -0.148 0.000 0.976 5686 D CA 0.795 54.726 54.000 -0.116 0.000 0.853 5686 D CB -0.206 40.519 40.800 -0.125 0.000 0.939 5686 D HN 0.390 nan 8.370 nan 0.000 0.481 5687 M N 0.344 119.883 119.600 -0.101 0.000 2.117 5687 M HA -0.105 4.375 4.480 0.000 0.000 0.262 5687 M C 2.022 178.277 176.300 -0.075 0.000 1.065 5687 M CA 1.012 56.260 55.300 -0.087 0.000 1.114 5687 M CB -0.774 31.806 32.600 -0.032 0.000 1.361 5687 M HN 0.047 nan 8.290 nan 0.000 0.408 5688 E N 0.993 121.158 120.200 -0.059 0.000 2.150 5688 E HA -0.154 4.196 4.350 0.000 0.000 0.193 5688 E C 1.775 178.341 176.600 -0.057 0.000 0.985 5688 E CA 1.039 57.411 56.400 -0.046 0.000 0.814 5688 E CB 0.085 29.765 29.700 -0.034 0.000 0.752 5688 E HN 0.488 nan 8.360 nan 0.000 0.466 5689 K N 0.202 120.556 120.400 -0.077 0.000 2.057 5689 K HA -0.070 4.250 4.320 0.000 0.000 0.206 5689 K C 2.422 178.963 176.600 -0.098 0.000 1.050 5689 K CA 0.995 57.232 56.287 -0.083 0.000 0.935 5689 K CB -0.102 32.339 32.500 -0.099 0.000 0.715 5689 K HN 0.157 nan 8.250 nan 0.000 0.439 5690 L N 0.525 121.662 121.223 -0.144 0.000 2.093 5690 L HA -0.154 4.186 4.340 0.000 0.000 0.208 5690 L C 2.580 179.403 176.870 -0.079 0.000 1.085 5690 L CA 0.940 55.684 54.840 -0.161 0.000 0.755 5690 L CB -0.525 41.359 42.059 -0.292 0.000 0.904 5690 L HN 0.199 nan 8.230 nan 0.000 0.435 5691 A N -0.222 122.564 122.820 -0.057 0.000 1.898 5691 A HA -0.167 4.153 4.320 0.000 0.000 0.216 5691 A C 2.351 179.926 177.584 -0.015 0.000 1.181 5691 A CA 1.351 53.373 52.037 -0.024 0.000 0.620 5691 A CB -0.246 18.743 19.000 -0.019 0.000 0.819 5691 A HN 0.172 nan 8.150 nan 0.000 0.442 5692 K N -0.139 120.248 120.400 -0.022 0.000 2.057 5692 K HA -0.012 4.308 4.320 0.000 0.000 0.206 5692 K C 2.317 178.915 176.600 -0.003 0.000 1.050 5692 K CA 1.290 57.571 56.287 -0.011 0.000 0.935 5692 K CB -0.683 31.808 32.500 -0.016 0.000 0.715 5692 K HN 0.442 nan 8.250 nan 0.000 0.439 5693 A N 1.240 124.050 122.820 -0.016 0.000 1.832 5693 A HA -0.139 4.181 4.320 0.000 0.000 0.214 5693 A C 2.337 179.924 177.584 0.005 0.000 1.200 5693 A CA 2.619 54.651 52.037 -0.009 0.000 0.610 5693 A CB -1.074 17.907 19.000 -0.030 0.000 0.842 5693 A HN 0.475 nan 8.150 nan 0.000 0.444 5694 T N -4.203 110.351 114.554 -0.000 0.000 3.043 5694 T HA 0.364 4.714 4.350 0.000 0.000 0.263 5694 T C 1.419 176.134 174.700 0.025 0.000 1.094 5694 T CA 1.222 63.331 62.100 0.015 0.000 1.127 5694 T CB -0.130 68.752 68.868 0.023 0.000 0.905 5694 T HN 1.862 nan 8.240 nan 0.000 0.490 5695 G N 1.390 110.202 108.800 0.021 0.000 2.147 5695 G HA2 -0.004 3.956 3.960 0.000 0.000 0.244 5695 G HA3 -0.004 3.956 3.960 0.000 0.000 0.244 5695 G C 0.215 175.128 174.900 0.022 0.000 1.005 5695 G CA -0.036 45.078 45.100 0.024 0.000 0.713 5695 G HN 1.171 nan 8.290 nan 0.000 0.515 5696 A N -0.413 122.419 122.820 0.020 0.000 2.371 5696 A HA 0.643 4.963 4.320 0.000 0.000 0.257 5696 A C 0.384 177.980 177.584 0.019 0.000 1.089 5696 A CA 0.279 52.332 52.037 0.026 0.000 0.794 5696 A CB 0.521 19.544 19.000 0.038 0.000 1.029 5696 A HN 0.755 nan 8.150 nan 0.000 0.488 5697 N N 1.276 119.989 118.700 0.022 0.000 2.424 5697 N HA 0.369 5.109 4.740 0.000 0.000 0.271 5697 N C -0.917 174.605 175.510 0.020 0.000 0.985 5697 N CA -0.344 52.716 53.050 0.016 0.000 0.921 5697 N CB 1.273 39.769 38.487 0.015 0.000 1.149 5697 N HN 0.280 nan 8.380 nan 0.000 0.492 5698 V N 4.928 124.851 119.914 0.014 0.000 2.446 5698 V HA 0.148 4.268 4.120 0.000 0.000 0.276 5698 V C 0.480 176.583 176.094 0.016 0.000 1.030 5698 V CA -0.171 62.139 62.300 0.016 0.000 1.033 5698 V CB -0.833 30.995 31.823 0.009 0.000 0.993 5698 V HN 0.579 nan 8.190 nan 0.000 0.477 5699 I N 2.372 122.953 120.570 0.020 0.000 2.603 5699 I HA 0.633 4.803 4.170 0.000 0.000 0.300 5699 I C 0.663 176.790 176.117 0.016 0.000 1.017 5699 I CA 0.109 61.419 61.300 0.016 0.000 1.098 5699 I CB 1.964 39.974 38.000 0.017 0.000 1.279 5699 I HN 0.341 nan 8.210 nan 0.000 0.437 5700 T N 1.391 115.953 114.554 0.013 0.000 2.815 5700 T HA 0.091 4.441 4.350 0.000 0.000 0.244 5700 T C 0.728 175.435 174.700 0.013 0.000 1.040 5700 T CA 0.872 62.980 62.100 0.013 0.000 1.176 5700 T CB -0.259 68.615 68.868 0.010 0.000 0.880 5700 T HN 0.677 nan 8.240 nan 0.000 0.414 5701 N N 1.125 119.832 118.700 0.011 0.000 2.472 5701 N HA 0.240 4.980 4.740 0.000 0.000 0.277 5701 N C 0.873 176.390 175.510 0.012 0.000 1.081 5701 N CA -0.128 52.928 53.050 0.011 0.000 0.973 5701 N CB 0.674 39.166 38.487 0.010 0.000 1.105 5701 N HN 0.175 nan 8.380 nan 0.000 0.470 5702 I N 2.352 122.929 120.570 0.012 0.000 2.361 5702 I HA -0.248 3.922 4.170 0.000 0.000 0.251 5702 I C 2.020 178.143 176.117 0.010 0.000 1.133 5702 I CA 0.855 62.163 61.300 0.012 0.000 1.413 5702 I CB -0.041 37.967 38.000 0.013 0.000 1.073 5702 I HN 0.510 nan 8.210 nan 0.000 0.424 5703 K N 1.389 121.795 120.400 0.010 0.000 2.103 5703 K HA -0.222 4.098 4.320 0.000 0.000 0.207 5703 K C 1.332 177.937 176.600 0.008 0.000 1.048 5703 K CA 1.781 58.074 56.287 0.009 0.000 0.930 5703 K CB -0.231 32.274 32.500 0.009 0.000 0.716 5703 K HN 0.252 nan 8.250 nan 0.000 0.444 5704 D N -0.510 119.895 120.400 0.009 0.000 2.277 5704 D HA -0.029 4.611 4.640 0.000 0.000 0.208 5704 D C -0.170 176.136 176.300 0.009 0.000 0.962 5704 D CA 0.173 54.178 54.000 0.008 0.000 0.865 5704 D CB -0.012 40.793 40.800 0.009 0.000 0.939 5704 D HN 0.089 nan 8.370 nan 0.000 0.510 5705 L N 1.170 122.399 121.223 0.009 0.000 2.601 5705 L HA 0.103 4.443 4.340 0.000 0.000 0.277 5705 L C 0.159 177.033 176.870 0.007 0.000 1.219 5705 L CA 0.311 55.157 54.840 0.009 0.000 0.915 5705 L CB 0.047 42.111 42.059 0.009 0.000 1.160 5705 L HN -0.007 nan 8.230 nan 0.000 0.494 5706 S N 3.291 118.995 115.700 0.008 0.000 2.661 5706 S HA 0.788 5.258 4.470 0.000 0.000 0.285 5706 S C 0.774 175.378 174.600 0.007 0.000 1.138 5706 S CA -0.393 57.810 58.200 0.006 0.000 0.855 5706 S CB 1.270 64.473 63.200 0.006 0.000 1.136 5706 S HN 0.842 nan 8.310 nan 0.000 0.484 5707 A N 0.562 123.385 122.820 0.005 0.000 1.978 5707 A HA -0.083 4.237 4.320 0.000 0.000 0.220 5707 A C 1.991 179.581 177.584 0.009 0.000 1.170 5707 A CA 1.354 53.395 52.037 0.006 0.000 0.636 5707 A CB -0.869 18.134 19.000 0.004 0.000 0.810 5707 A HN 0.735 nan 8.150 nan 0.000 0.448 5708 Q N 0.056 119.861 119.800 0.009 0.000 2.437 5708 Q HA -0.101 4.239 4.340 0.000 0.000 0.210 5708 Q C 0.574 176.582 176.000 0.013 0.000 0.972 5708 Q CA 1.063 56.873 55.803 0.011 0.000 0.903 5708 Q CB -0.214 28.529 28.738 0.009 0.000 0.967 5708 Q HN 0.671 nan 8.270 nan 0.000 0.486 5709 D N -0.407 120.001 120.400 0.014 0.000 2.354 5709 D HA 0.021 4.661 4.640 0.000 0.000 0.209 5709 D C 0.071 176.384 176.300 0.022 0.000 1.015 5709 D CA 0.013 54.023 54.000 0.017 0.000 0.867 5709 D CB 0.464 41.274 40.800 0.016 0.000 0.933 5709 D HN 0.104 nan 8.370 nan 0.000 0.520 5710 L N 0.924 122.160 121.223 0.022 0.000 2.397 5710 L HA 0.370 4.710 4.340 0.000 0.000 0.271 5710 L C 1.218 178.106 176.870 0.030 0.000 1.148 5710 L CA -0.102 54.755 54.840 0.028 0.000 0.825 5710 L CB 1.159 43.231 42.059 0.022 0.000 1.117 5710 L HN -0.176 nan 8.230 nan 0.000 0.456 5711 G N 1.066 109.889 108.800 0.038 0.000 2.491 5711 G HA2 0.555 4.515 3.960 0.000 0.000 0.327 5711 G HA3 0.555 4.515 3.960 0.000 0.000 0.327 5711 G C -1.330 173.593 174.900 0.038 0.000 1.189 5711 G CA -0.414 44.708 45.100 0.037 0.000 0.956 5711 G HN 0.570 nan 8.290 nan 0.000 0.491 5712 D N -0.686 119.734 120.400 0.033 0.000 2.350 5712 D HA 0.651 5.291 4.640 0.000 0.000 0.245 5712 D C -0.201 176.115 176.300 0.026 0.000 1.036 5712 D CA 0.140 54.157 54.000 0.027 0.000 0.848 5712 D CB 2.008 42.819 40.800 0.018 0.000 1.307 5712 D HN 0.610 nan 8.370 nan 0.000 0.469 5713 A N 0.649 123.487 122.820 0.030 0.000 2.488 5713 A HA 0.624 4.944 4.320 0.000 0.000 0.298 5713 A C 1.000 178.599 177.584 0.026 0.000 1.044 5713 A CA -0.498 51.557 52.037 0.031 0.000 0.693 5713 A CB 1.509 20.543 19.000 0.055 0.000 1.272 5713 A HN 0.585 nan 8.150 nan 0.000 0.402 5714 G N 0.622 109.431 108.800 0.015 0.000 2.408 5714 G HA2 0.246 4.206 3.960 0.000 0.000 0.217 5714 G HA3 0.246 4.206 3.960 0.000 0.000 0.217 5714 G C 0.392 175.304 174.900 0.020 0.000 1.150 5714 G CA 0.887 45.993 45.100 0.010 0.000 0.776 5714 G HN 0.612 nan 8.290 nan 0.000 0.542 5715 L N 0.264 121.507 121.223 0.033 0.000 2.436 5715 L HA 0.523 4.863 4.340 0.000 0.000 0.268 5715 L C -1.383 175.533 176.870 0.077 0.000 0.974 5715 L CA -0.806 54.059 54.840 0.043 0.000 0.826 5715 L CB 3.083 45.161 42.059 0.032 0.000 1.291 5715 L HN -0.222 nan 8.230 nan 0.000 0.406 5716 V N 2.467 122.429 119.914 0.080 0.000 2.409 5716 V HA 0.493 4.613 4.120 0.000 0.000 0.290 5716 V C -0.579 175.574 176.094 0.098 0.000 1.017 5716 V CA -0.442 61.929 62.300 0.118 0.000 0.841 5716 V CB 1.833 33.727 31.823 0.119 0.000 1.003 5716 V HN 0.783 nan 8.190 nan 0.000 0.426 5717 E N 3.038 123.321 120.200 0.138 0.000 2.343 5717 E HA 0.394 4.744 4.350 0.000 0.000 0.278 5717 E C -1.156 175.545 176.600 0.168 0.000 0.910 5717 E CA -0.659 55.806 56.400 0.108 0.000 0.757 5717 E CB 2.351 32.085 29.700 0.057 0.000 1.218 5717 E HN 0.747 nan 8.360 nan 0.000 0.435 5718 E N 4.133 124.401 120.200 0.113 0.000 2.152 5718 E HA 0.252 4.602 4.350 0.000 0.000 0.285 5718 E C -0.942 175.726 176.600 0.112 0.000 1.043 5718 E CA -0.256 56.221 56.400 0.127 0.000 0.839 5718 E CB 0.673 30.416 29.700 0.072 0.000 1.069 5718 E HN 0.322 nan 8.360 nan 0.000 0.399 5719 R N 3.668 124.275 120.500 0.178 0.000 2.686 5719 R HA 0.386 4.726 4.340 0.000 0.000 0.286 5719 R C -0.739 175.647 176.300 0.144 0.000 0.969 5719 R CA -0.911 55.252 56.100 0.105 0.000 0.898 5719 R CB 2.008 32.289 30.300 -0.032 0.000 1.183 5719 R HN 0.319 nan 8.270 nan 0.000 0.456 5720 K N 2.416 122.862 120.400 0.076 0.000 2.211 5720 K HA 0.380 4.700 4.320 0.000 0.000 0.275 5720 K C -0.673 175.970 176.600 0.071 0.000 1.024 5720 K CA -0.469 55.862 56.287 0.073 0.000 0.887 5720 K CB 1.099 33.624 32.500 0.043 0.000 1.084 5720 K HN 0.295 nan 8.250 nan 0.000 0.463 5721 I N 2.043 122.668 120.570 0.090 0.000 2.390 5721 I HA 0.069 4.239 4.170 0.000 0.000 0.283 5721 I C -0.029 176.121 176.117 0.054 0.000 1.016 5721 I CA -0.061 61.286 61.300 0.078 0.000 1.151 5721 I CB 1.658 39.730 38.000 0.120 0.000 1.293 5721 I HN 0.594 nan 8.210 nan 0.000 0.458 5722 S N 4.342 120.065 115.700 0.039 0.000 3.698 5722 S HA -0.178 4.292 4.470 0.000 0.000 0.338 5722 S C 1.312 175.928 174.600 0.028 0.000 1.089 5722 S CA 0.976 59.194 58.200 0.030 0.000 0.991 5722 S CB -1.412 61.806 63.200 0.029 0.000 0.909 5722 S HN 1.454 nan 8.310 nan 0.000 0.485 5723 G N 0.642 109.460 108.800 0.029 0.000 2.579 5723 G HA2 -0.286 3.674 3.960 0.000 0.000 0.222 5723 G HA3 -0.286 3.674 3.960 0.000 0.000 0.222 5723 G C -0.351 174.568 174.900 0.032 0.000 1.201 5723 G CA 0.106 45.222 45.100 0.026 0.000 0.710 5723 G HN 0.614 nan 8.290 nan 0.000 0.516 5724 D N 2.485 122.905 120.400 0.034 0.000 2.401 5724 D HA 0.435 5.075 4.640 0.000 0.000 0.254 5724 D C 1.040 177.373 176.300 0.054 0.000 1.192 5724 D CA 0.990 55.012 54.000 0.036 0.000 0.885 5724 D CB 1.235 42.053 40.800 0.030 0.000 1.147 5724 D HN 0.687 nan 8.370 nan 0.000 0.478 5725 S N 2.596 118.327 115.700 0.052 0.000 2.565 5725 S HA 0.584 5.054 4.470 0.000 0.000 0.274 5725 S C 0.103 174.748 174.600 0.074 0.000 1.309 5725 S CA -0.667 57.576 58.200 0.072 0.000 1.043 5725 S CB 1.291 64.525 63.200 0.057 0.000 0.939 5725 S HN 0.396 nan 8.310 nan 0.000 0.504 5726 M N 2.063 121.733 119.600 0.117 0.000 2.593 5726 M HA 0.509 4.989 4.480 0.000 0.000 0.290 5726 M C -1.236 175.138 176.300 0.124 0.000 1.244 5726 M CA -0.594 54.745 55.300 0.064 0.000 0.857 5726 M CB 2.239 34.823 32.600 -0.028 0.000 1.738 5726 M HN 0.566 nan 8.290 nan 0.000 0.461 5727 I N 1.662 122.251 120.570 0.032 0.000 2.339 5727 I HA 0.373 4.543 4.170 0.000 0.000 0.290 5727 I C -1.363 174.751 176.117 -0.005 0.000 0.994 5727 I CA -0.370 61.010 61.300 0.133 0.000 1.191 5727 I CB 0.917 39.043 38.000 0.210 0.000 1.343 5727 I HN 0.425 nan 8.210 nan 0.000 0.458 5728 F N 5.911 125.907 119.950 0.075 0.000 2.405 5728 F HA 0.365 4.892 4.527 0.000 0.000 0.355 5728 F C 0.194 176.036 175.800 0.071 0.000 1.121 5728 F CA -0.735 57.297 58.000 0.053 0.000 1.112 5728 F CB 1.376 40.395 39.000 0.032 0.000 1.126 5728 F HN 0.031 nan 8.300 nan 0.000 0.481 5729 V N 4.353 124.369 119.914 0.170 0.000 2.275 5729 V HA 0.316 4.436 4.120 0.000 0.000 0.272 5729 V C -0.304 175.850 176.094 0.099 0.000 1.028 5729 V CA -0.579 61.800 62.300 0.131 0.000 0.810 5729 V CB 0.255 32.120 31.823 0.070 0.000 1.043 5729 V HN 0.806 nan 8.190 nan 0.000 0.453 5730 E N 3.002 123.268 120.200 0.110 0.000 2.378 5730 E HA 0.679 5.029 4.350 0.000 0.000 0.265 5730 E C -0.619 176.009 176.600 0.046 0.000 0.932 5730 E CA -0.888 55.561 56.400 0.082 0.000 0.795 5730 E CB 1.703 31.466 29.700 0.106 0.000 1.296 5730 E HN 0.208 nan 8.360 nan 0.000 0.438 5731 E N -0.840 119.375 120.200 0.025 0.000 2.596 5731 E HA -0.147 4.203 4.350 0.000 0.000 0.272 5731 E C -0.663 175.929 176.600 -0.014 0.000 1.039 5731 E CA 0.513 56.913 56.400 0.001 0.000 0.804 5731 E CB -2.239 27.462 29.700 0.002 0.000 1.373 5731 E HN 0.598 nan 8.360 nan 0.000 0.404 5732 C N 0.712 120.005 119.300 -0.012 0.000 2.689 5732 C HA 0.068 4.528 4.460 0.000 0.000 0.409 5732 C C 2.296 177.239 174.990 -0.079 0.000 1.293 5732 C CA -0.078 58.926 59.018 -0.024 0.000 2.136 5732 C CB 0.444 28.180 27.740 -0.007 0.000 2.719 5732 C HN 0.384 nan 8.230 nan 0.000 0.644 5733 K N 0.619 120.954 120.400 -0.107 0.000 1.969 5733 K HA -0.090 4.230 4.320 0.000 0.000 0.216 5733 K C 0.416 176.714 176.600 -0.502 0.000 1.048 5733 K CA 1.379 57.498 56.287 -0.279 0.000 0.948 5733 K CB -0.088 32.303 32.500 -0.183 0.000 0.726 5733 K HN 0.686 nan 8.250 nan 0.000 0.442 5734 H N 0.196 119.270 119.070 0.006 0.000 2.488 5734 H HA 0.240 4.796 4.556 -0.000 0.000 0.237 5734 H C -2.535 172.794 175.328 0.001 0.000 1.395 5734 H CA -1.998 54.052 56.048 0.003 0.000 1.491 5734 H CB 0.749 30.512 29.762 0.002 0.000 1.567 5734 H HN 0.193 nan 8.280 nan 0.000 0.508 5735 P HA 0.133 nan 4.420 nan 0.000 0.275 5735 P C 0.267 177.591 177.300 0.040 0.000 1.227 5735 P CA -0.512 62.611 63.100 0.038 0.000 0.781 5735 P CB 1.807 33.516 31.700 0.014 0.000 0.906 5736 K N 0.663 121.077 120.400 0.024 0.000 2.374 5736 K HA 0.450 4.770 4.320 0.000 0.000 0.202 5736 K C 0.282 176.884 176.600 0.002 0.000 1.040 5736 K CA 0.038 56.334 56.287 0.015 0.000 1.085 5736 K CB 0.697 33.204 32.500 0.011 0.000 0.873 5736 K HN 0.534 nan 8.250 nan 0.000 0.539 5737 A N 0.522 123.340 122.820 -0.004 0.000 2.449 5737 A HA 0.686 5.006 4.320 0.000 0.000 0.302 5737 A C -0.902 176.673 177.584 -0.014 0.000 1.048 5737 A CA -0.771 51.257 52.037 -0.015 0.000 0.708 5737 A CB 1.253 20.235 19.000 -0.030 0.000 1.274 5737 A HN -0.004 nan 8.150 nan 0.000 0.410 5738 V N -1.153 118.752 119.914 -0.014 0.000 3.074 5738 V HA 0.978 5.098 4.120 0.000 0.000 0.314 5738 V C -0.428 175.654 176.094 -0.020 0.000 1.117 5738 V CA -0.585 61.709 62.300 -0.010 0.000 1.014 5738 V CB 1.659 33.483 31.823 0.002 0.000 1.057 5738 V HN 0.880 nan 8.190 nan 0.000 0.438 5739 T N 3.304 117.849 114.554 -0.016 0.000 2.886 5739 T HA 0.632 4.982 4.350 0.000 0.000 0.292 5739 T C -0.558 174.140 174.700 -0.003 0.000 1.012 5739 T CA -0.353 61.730 62.100 -0.028 0.000 0.982 5739 T CB 1.493 70.320 68.868 -0.068 0.000 1.018 5739 T HN 0.748 nan 8.240 nan 0.000 0.451 5740 M N 3.403 123.000 119.600 -0.005 0.000 2.072 5740 M HA 0.382 4.862 4.480 0.000 0.000 0.331 5740 M C -0.954 175.353 176.300 0.011 0.000 1.004 5740 M CA -0.905 54.403 55.300 0.013 0.000 0.952 5740 M CB 1.322 33.928 32.600 0.010 0.000 1.511 5740 M HN 0.343 nan 8.290 nan 0.000 0.422 5741 L N 5.787 127.031 121.223 0.036 0.000 2.315 5741 L HA 0.465 4.805 4.340 0.000 0.000 0.283 5741 L C -0.796 176.099 176.870 0.042 0.000 1.089 5741 L CA 0.251 55.116 54.840 0.042 0.000 0.833 5741 L CB 0.249 42.371 42.059 0.105 0.000 1.170 5741 L HN 0.557 nan 8.230 nan 0.000 0.442 5742 I N 6.030 126.616 120.570 0.026 0.000 2.331 5742 I HA 0.391 4.561 4.170 0.000 0.000 0.292 5742 I C 0.335 176.468 176.117 0.027 0.000 0.998 5742 I CA -0.422 60.892 61.300 0.023 0.000 1.267 5742 I CB 0.736 38.744 38.000 0.013 0.000 1.386 5742 I HN 0.611 nan 8.210 nan 0.000 0.476 5743 R N 3.698 124.215 120.500 0.029 0.000 2.828 5743 R HA 0.896 5.236 4.340 0.000 0.000 0.264 5743 R C -0.351 175.963 176.300 0.024 0.000 1.022 5743 R CA -0.969 55.148 56.100 0.028 0.000 1.021 5743 R CB 2.207 32.525 30.300 0.031 0.000 1.163 5743 R HN 0.843 nan 8.270 nan 0.000 0.494 5744 G N -0.774 108.041 108.800 0.024 0.000 2.340 5744 G HA2 0.032 3.992 3.960 0.000 0.000 0.298 5744 G HA3 0.032 3.992 3.960 0.000 0.000 0.298 5744 G C 0.034 174.950 174.900 0.027 0.000 1.498 5744 G CA -0.677 44.438 45.100 0.025 0.000 0.847 5744 G HN 0.398 nan 8.290 nan 0.000 0.594 5745 T N 0.341 114.912 114.554 0.028 0.000 2.881 5745 T HA 0.158 4.508 4.350 0.000 0.000 0.270 5745 T C 0.919 175.640 174.700 0.035 0.000 1.068 5745 T CA 2.099 64.216 62.100 0.028 0.000 1.131 5745 T CB -0.179 68.704 68.868 0.025 0.000 0.871 5745 T HN 0.674 nan 8.240 nan 0.000 0.479 5746 T N 0.174 114.755 114.554 0.045 0.000 2.868 5746 T HA 0.230 4.580 4.350 0.000 0.000 0.306 5746 T C 0.359 175.099 174.700 0.067 0.000 1.224 5746 T CA -0.798 61.341 62.100 0.065 0.000 1.012 5746 T CB 2.435 71.352 68.868 0.082 0.000 1.221 5746 T HN -0.179 nan 8.240 nan 0.000 0.499 5747 E N 0.648 120.887 120.200 0.066 0.000 2.097 5747 E HA -0.180 4.170 4.350 0.000 0.000 0.196 5747 E C 1.566 178.140 176.600 -0.044 0.000 1.000 5747 E CA 1.822 58.221 56.400 -0.002 0.000 0.804 5747 E CB -0.107 29.569 29.700 -0.040 0.000 0.740 5747 E HN 0.605 nan 8.360 nan 0.000 0.454 5748 H N -0.493 118.581 119.070 0.007 0.000 2.457 5748 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 5748 H C 2.120 177.452 175.328 0.007 0.000 1.064 5748 H CA 0.955 57.007 56.048 0.006 0.000 1.330 5748 H CB 0.113 29.878 29.762 0.005 0.000 1.395 5748 H HN -0.061 nan 8.280 nan 0.000 0.541 5749 V N 1.277 121.263 119.914 0.120 0.000 2.323 5749 V HA -0.194 3.926 4.120 0.000 0.000 0.244 5749 V C 2.319 178.438 176.094 0.042 0.000 1.041 5749 V CA 1.804 64.146 62.300 0.070 0.000 1.025 5749 V CB -0.471 31.386 31.823 0.055 0.000 0.656 5749 V HN 0.544 nan 8.190 nan 0.000 0.451 5750 I N -1.728 118.859 120.570 0.029 0.000 2.830 5750 I HA -0.099 4.071 4.170 0.000 0.000 0.263 5750 I C 2.108 178.225 176.117 0.000 0.000 1.230 5750 I CA 1.426 62.734 61.300 0.013 0.000 1.480 5750 I CB -0.577 37.427 38.000 0.008 0.000 1.095 5750 I HN 0.303 nan 8.210 nan 0.000 0.455 5751 E N 1.488 121.683 120.200 -0.009 0.000 2.072 5751 E HA -0.247 4.103 4.350 0.000 0.000 0.191 5751 E C 2.009 178.610 176.600 0.001 0.000 0.985 5751 E CA 1.471 57.858 56.400 -0.021 0.000 0.801 5751 E CB 0.009 29.677 29.700 -0.054 0.000 0.750 5751 E HN 0.559 nan 8.360 nan 0.000 0.452 5752 E N 0.605 120.817 120.200 0.019 0.000 2.106 5752 E HA -0.131 4.220 4.350 0.000 0.000 0.192 5752 E C 1.929 178.540 176.600 0.019 0.000 0.984 5752 E CA 0.806 57.220 56.400 0.023 0.000 0.806 5752 E CB 0.026 29.747 29.700 0.034 0.000 0.750 5752 E HN 0.003 nan 8.360 nan 0.000 0.458 5753 V N 0.951 120.876 119.914 0.019 0.000 2.343 5753 V HA -0.241 3.879 4.120 0.000 0.000 0.247 5753 V C 2.405 178.505 176.094 0.011 0.000 1.051 5753 V CA 1.745 64.055 62.300 0.017 0.000 1.036 5753 V CB -0.958 30.876 31.823 0.018 0.000 0.654 5753 V HN 0.474 nan 8.190 nan 0.000 0.451 5754 A N -0.127 122.697 122.820 0.006 0.000 1.940 5754 A HA -0.202 4.118 4.320 0.000 0.000 0.219 5754 A C 2.354 179.939 177.584 0.002 0.000 1.176 5754 A CA 1.498 53.535 52.037 0.000 0.000 0.631 5754 A CB -0.408 18.587 19.000 -0.007 0.000 0.814 5754 A HN 0.416 nan 8.150 nan 0.000 0.446 5755 R N -0.579 119.924 120.500 0.004 0.000 2.115 5755 R HA 0.048 4.388 4.340 0.000 0.000 0.226 5755 R C 2.388 178.694 176.300 0.009 0.000 1.100 5755 R CA 1.207 57.310 56.100 0.006 0.000 0.980 5755 R CB -0.939 29.365 30.300 0.007 0.000 0.875 5755 R HN 0.527 nan 8.270 nan 0.000 0.445 5756 A N 1.163 123.990 122.820 0.013 0.000 1.898 5756 A HA -0.116 4.204 4.320 0.000 0.000 0.216 5756 A C 2.270 179.862 177.584 0.015 0.000 1.181 5756 A CA 1.801 53.847 52.037 0.017 0.000 0.620 5756 A CB -0.523 18.490 19.000 0.021 0.000 0.819 5756 A HN 0.209 nan 8.150 nan 0.000 0.442 5757 V N -2.491 117.430 119.914 0.012 0.000 2.951 5757 V HA -0.050 4.070 4.120 0.000 0.000 0.255 5757 V C 1.834 177.932 176.094 0.007 0.000 1.088 5757 V CA 2.092 64.398 62.300 0.010 0.000 1.109 5757 V CB -0.544 31.284 31.823 0.009 0.000 0.724 5757 V HN 0.393 nan 8.190 nan 0.000 0.471 5758 D N 1.236 121.639 120.400 0.005 0.000 2.117 5758 D HA -0.164 4.476 4.640 0.000 0.000 0.198 5758 D C 1.764 178.067 176.300 0.005 0.000 0.982 5758 D CA 1.726 55.728 54.000 0.002 0.000 0.828 5758 D CB -0.133 40.667 40.800 0.001 0.000 0.967 5758 D HN 0.488 nan 8.370 nan 0.000 0.464 5759 D N -0.297 120.108 120.400 0.007 0.000 2.103 5759 D HA -0.019 4.621 4.640 0.000 0.000 0.199 5759 D C 1.955 178.261 176.300 0.010 0.000 0.978 5759 D CA 1.386 55.391 54.000 0.009 0.000 0.829 5759 D CB -0.473 40.334 40.800 0.011 0.000 0.981 5759 D HN 0.241 nan 8.370 nan 0.000 0.464 5760 A N 0.649 123.476 122.820 0.012 0.000 1.877 5760 A HA -0.128 4.192 4.320 0.000 0.000 0.216 5760 A C 2.380 179.970 177.584 0.010 0.000 1.186 5760 A CA 1.286 53.331 52.037 0.013 0.000 0.620 5760 A CB -0.904 18.105 19.000 0.015 0.000 0.822 5760 A HN 0.181 nan 8.150 nan 0.000 0.443 5761 V N -0.024 119.895 119.914 0.008 0.000 2.759 5761 V HA -0.081 4.039 4.120 0.000 0.000 0.256 5761 V C 2.299 178.397 176.094 0.006 0.000 1.080 5761 V CA 2.091 64.395 62.300 0.006 0.000 1.101 5761 V CB -0.677 31.148 31.823 0.004 0.000 0.698 5761 V HN 0.570 nan 8.190 nan 0.000 0.477 5762 G N -0.125 108.679 108.800 0.006 0.000 2.404 5762 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 5762 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 5762 G C 1.618 176.522 174.900 0.007 0.000 1.189 5762 G CA 1.329 46.432 45.100 0.006 0.000 0.789 5762 G HN 0.661 nan 8.290 nan 0.000 0.533 5763 V N -1.065 118.855 119.914 0.009 0.000 2.809 5763 V HA -0.006 4.114 4.120 0.000 0.000 0.256 5763 V C 2.629 178.729 176.094 0.010 0.000 1.080 5763 V CA 1.119 63.425 62.300 0.010 0.000 1.102 5763 V CB -0.424 31.407 31.823 0.012 0.000 0.705 5763 V HN 0.118 nan 8.190 nan 0.000 0.475 5764 V N 2.104 122.023 119.914 0.009 0.000 2.407 5764 V HA -0.081 4.039 4.120 0.000 0.000 0.248 5764 V C 2.850 178.948 176.094 0.007 0.000 1.055 5764 V CA 2.319 64.624 62.300 0.008 0.000 1.049 5764 V CB -1.324 30.504 31.823 0.008 0.000 0.662 5764 V HN 0.629 nan 8.190 nan 0.000 0.455 5765 G N -1.460 107.344 108.800 0.006 0.000 2.403 5765 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 5765 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 5765 G C 1.717 176.621 174.900 0.006 0.000 1.154 5765 G CA 1.143 46.247 45.100 0.005 0.000 0.784 5765 G HN 0.529 nan 8.290 nan 0.000 0.538 5766 C N 0.568 119.872 119.300 0.007 0.000 2.425 5766 C HA -0.015 4.445 4.460 0.000 0.000 0.277 5766 C C 3.192 178.187 174.990 0.007 0.000 1.280 5766 C CA 1.536 60.558 59.018 0.007 0.000 1.744 5766 C CB -0.918 26.828 27.740 0.008 0.000 1.989 5766 C HN 0.412 nan 8.230 nan 0.000 0.491 5767 T N 0.963 115.522 114.554 0.008 0.000 2.951 5767 T HA 0.024 4.374 4.350 0.000 0.000 0.268 5767 T C 1.552 176.256 174.700 0.006 0.000 1.073 5767 T CA 0.958 63.062 62.100 0.008 0.000 1.134 5767 T CB -0.196 68.677 68.868 0.008 0.000 0.884 5767 T HN 0.497 nan 8.240 nan 0.000 0.479 5768 I N 0.744 121.317 120.570 0.006 0.000 2.439 5768 I HA -0.078 4.092 4.170 0.000 0.000 0.251 5768 I C 2.466 178.586 176.117 0.004 0.000 1.139 5768 I CA 1.190 62.493 61.300 0.005 0.000 1.438 5768 I CB -0.201 37.802 38.000 0.005 0.000 1.085 5768 I HN 0.298 nan 8.210 nan 0.000 0.427 5769 E N 0.124 120.326 120.200 0.005 0.000 2.086 5769 E HA -0.047 4.303 4.350 0.000 0.000 0.190 5769 E C 0.004 176.607 176.600 0.004 0.000 0.975 5769 E CA 0.660 57.063 56.400 0.004 0.000 0.813 5769 E CB 0.281 29.984 29.700 0.004 0.000 0.768 5769 E HN 0.328 nan 8.360 nan 0.000 0.457 5770 D N -0.131 120.272 120.400 0.005 0.000 2.453 5770 D HA 0.147 4.787 4.640 0.000 0.000 0.238 5770 D C 0.020 176.324 176.300 0.006 0.000 1.088 5770 D CA -0.122 53.882 54.000 0.006 0.000 0.854 5770 D CB 1.602 42.407 40.800 0.007 0.000 1.076 5770 D HN 0.107 nan 8.370 nan 0.000 0.533 5771 G N 2.167 110.970 108.800 0.005 0.000 3.279 5771 G HA2 -0.029 3.931 3.960 0.000 0.000 0.230 5771 G HA3 -0.029 3.931 3.960 0.000 0.000 0.230 5771 G C 0.711 175.614 174.900 0.006 0.000 1.230 5771 G CA -0.039 45.064 45.100 0.005 0.000 0.891 5771 G HN 0.074 nan 8.290 nan 0.000 0.518 5772 R N -0.298 120.206 120.500 0.007 0.000 2.589 5772 R HA 0.741 5.081 4.340 0.000 0.000 0.293 5772 R C -0.855 175.451 176.300 0.010 0.000 0.963 5772 R CA -0.646 55.458 56.100 0.008 0.000 0.905 5772 R CB 1.874 32.178 30.300 0.007 0.000 1.144 5772 R HN 0.172 nan 8.270 nan 0.000 0.459 5773 I N 2.416 122.993 120.570 0.011 0.000 2.828 5773 I HA 0.643 4.813 4.170 0.000 0.000 0.302 5773 I C -1.097 175.030 176.117 0.016 0.000 1.101 5773 I CA -1.114 60.194 61.300 0.013 0.000 1.031 5773 I CB 2.016 40.023 38.000 0.013 0.000 1.231 5773 I HN 0.472 nan 8.210 nan 0.000 0.427 5774 V N 2.379 122.304 119.914 0.018 0.000 2.914 5774 V HA 0.669 4.789 4.120 0.000 0.000 0.314 5774 V C -0.107 176.003 176.094 0.025 0.000 1.084 5774 V CA -0.615 61.699 62.300 0.022 0.000 0.963 5774 V CB 1.382 33.218 31.823 0.023 0.000 1.025 5774 V HN 0.811 nan 8.190 nan 0.000 0.432 5775 S N 2.203 117.921 115.700 0.031 0.000 2.562 5775 S HA 0.634 5.104 4.470 0.000 0.000 0.281 5775 S C 0.525 175.145 174.600 0.033 0.000 1.333 5775 S CA 0.185 58.406 58.200 0.035 0.000 1.052 5775 S CB 0.780 64.006 63.200 0.043 0.000 0.884 5775 S HN 1.775 nan 8.310 nan 0.000 0.506 5776 G N 0.429 109.250 108.800 0.035 0.000 2.782 5776 G HA2 0.566 4.526 3.960 0.000 0.000 0.201 5776 G HA3 0.566 4.526 3.960 0.000 0.000 0.201 5776 G C 0.860 175.779 174.900 0.031 0.000 1.374 5776 G CA -0.559 44.560 45.100 0.031 0.000 1.039 5776 G HN 2.024 nan 8.290 nan 0.000 0.576 5777 G N -1.844 106.973 108.800 0.028 0.000 2.225 5777 G HA2 0.242 4.202 3.960 0.000 0.000 0.267 5777 G HA3 0.242 4.202 3.960 0.000 0.000 0.267 5777 G C 1.456 176.357 174.900 0.003 0.000 1.024 5777 G CA 1.217 46.328 45.100 0.019 0.000 0.784 5777 G HN 2.470 nan 8.290 nan 0.000 0.507 5778 G N -1.451 107.346 108.800 -0.005 0.000 2.162 5778 G HA2 -0.122 3.838 3.960 0.000 0.000 0.260 5778 G HA3 -0.122 3.838 3.960 0.000 0.000 0.260 5778 G C 1.485 176.371 174.900 -0.023 0.000 0.976 5778 G CA 1.680 46.768 45.100 -0.020 0.000 0.655 5778 G HN 1.972 nan 8.290 nan 0.000 0.533 5779 S N 0.044 115.744 115.700 -0.001 0.000 2.368 5779 S HA -0.164 4.306 4.470 0.000 0.000 0.225 5779 S C 2.807 177.394 174.600 -0.022 0.000 1.030 5779 S CA 2.753 60.959 58.200 0.010 0.000 0.999 5779 S CB -0.579 62.652 63.200 0.052 0.000 0.844 5779 S HN 1.375 nan 8.310 nan 0.000 0.459 5780 T N 0.124 114.672 114.554 -0.010 0.000 2.595 5780 T HA -0.101 4.249 4.350 0.000 0.000 0.264 5780 T C 1.572 176.240 174.700 -0.054 0.000 1.058 5780 T CA 1.636 63.727 62.100 -0.016 0.000 1.166 5780 T CB -1.080 67.789 68.868 0.001 0.000 0.863 5780 T HN 0.425 nan 8.240 nan 0.000 0.415 5781 E N 1.028 121.198 120.200 -0.050 0.000 2.187 5781 E HA -0.094 4.256 4.350 0.000 0.000 0.199 5781 E C 2.284 178.824 176.600 -0.100 0.000 1.004 5781 E CA 1.085 57.446 56.400 -0.064 0.000 0.813 5781 E CB -0.863 28.799 29.700 -0.062 0.000 0.736 5781 E HN 0.421 nan 8.360 nan 0.000 0.468 5782 V N 1.003 120.833 119.914 -0.139 0.000 2.295 5782 V HA -0.232 3.888 4.120 0.000 0.000 0.246 5782 V C 2.386 178.251 176.094 -0.382 0.000 1.049 5782 V CA 1.874 64.040 62.300 -0.224 0.000 1.024 5782 V CB -0.447 31.236 31.823 -0.232 0.000 0.648 5782 V HN 0.301 nan 8.190 nan 0.000 0.447 5783 E N 0.323 120.239 120.200 -0.473 0.000 2.118 5783 E HA -0.207 4.143 4.350 0.000 0.000 0.195 5783 E C 2.155 178.676 176.600 -0.131 0.000 0.992 5783 E CA 1.490 57.639 56.400 -0.418 0.000 0.804 5783 E CB -0.144 29.504 29.700 -0.087 0.000 0.741 5783 E HN 0.586 nan 8.360 nan 0.000 0.458 5784 L N 0.149 121.323 121.223 -0.081 0.000 2.027 5784 L HA -0.138 4.202 4.340 0.000 0.000 0.206 5784 L C 2.859 179.739 176.870 0.015 0.000 1.074 5784 L CA 1.298 56.137 54.840 -0.002 0.000 0.745 5784 L CB -0.578 41.498 42.059 0.029 0.000 0.898 5784 L HN 0.105 nan 8.230 nan 0.000 0.433 5785 S N -0.455 115.230 115.700 -0.027 0.000 2.368 5785 S HA -0.174 4.296 4.470 0.000 0.000 0.225 5785 S C 2.137 176.736 174.600 -0.001 0.000 1.030 5785 S CA 1.105 59.298 58.200 -0.011 0.000 0.999 5785 S CB -0.005 63.169 63.200 -0.043 0.000 0.844 5785 S HN 0.195 nan 8.310 nan 0.000 0.459 5786 M N 0.958 120.539 119.600 -0.032 0.000 2.086 5786 M HA -0.019 4.461 4.480 0.000 0.000 0.261 5786 M C 2.243 178.566 176.300 0.039 0.000 1.067 5786 M CA 1.649 56.952 55.300 0.005 0.000 1.116 5786 M CB -1.254 31.352 32.600 0.011 0.000 1.348 5786 M HN 0.266 nan 8.290 nan 0.000 0.407 5787 K N 0.668 121.092 120.400 0.038 0.000 2.062 5787 K HA 0.013 4.333 4.320 0.000 0.000 0.205 5787 K C 1.892 178.538 176.600 0.076 0.000 1.051 5787 K CA 0.994 57.308 56.287 0.045 0.000 0.941 5787 K CB -0.321 32.189 32.500 0.017 0.000 0.719 5787 K HN 0.263 nan 8.250 nan 0.000 0.440 5788 L N 0.247 121.526 121.223 0.092 0.000 2.275 5788 L HA -0.057 4.283 4.340 0.000 0.000 0.215 5788 L C 2.355 179.309 176.870 0.140 0.000 1.119 5788 L CA 0.871 55.810 54.840 0.165 0.000 0.790 5788 L CB -0.263 41.901 42.059 0.175 0.000 0.919 5788 L HN 0.153 nan 8.230 nan 0.000 0.443 5789 R N 0.014 120.567 120.500 0.088 0.000 2.081 5789 R HA -0.199 4.141 4.340 0.000 0.000 0.235 5789 R C 2.185 178.523 176.300 0.064 0.000 1.131 5789 R CA 1.507 57.642 56.100 0.058 0.000 0.960 5789 R CB -0.174 30.149 30.300 0.038 0.000 0.856 5789 R HN 0.376 nan 8.270 nan 0.000 0.436 5790 E N -0.249 120.000 120.200 0.082 0.000 2.152 5790 E HA -0.202 4.148 4.350 0.000 0.000 0.192 5790 E C 1.588 178.270 176.600 0.136 0.000 0.983 5790 E CA 0.696 57.148 56.400 0.085 0.000 0.818 5790 E CB -0.014 29.730 29.700 0.074 0.000 0.758 5790 E HN 0.252 nan 8.360 nan 0.000 0.467 5791 Y N 0.933 121.229 120.300 -0.007 0.000 2.181 5791 Y HA -0.137 4.413 4.550 0.000 0.000 0.288 5791 Y C 2.051 177.938 175.900 -0.022 0.000 1.146 5791 Y CA 1.268 59.357 58.100 -0.018 0.000 1.164 5791 Y CB -0.826 37.616 38.460 -0.030 0.000 0.982 5791 Y HN 0.130 nan 8.280 nan 0.000 0.515 5792 A N 0.156 122.958 122.820 -0.030 0.000 1.908 5792 A HA -0.180 4.140 4.320 0.000 0.000 0.218 5792 A C 2.146 179.683 177.584 -0.079 0.000 1.181 5792 A CA 1.894 53.865 52.037 -0.110 0.000 0.627 5792 A CB -0.525 18.449 19.000 -0.045 0.000 0.818 5792 A HN 0.478 nan 8.150 nan 0.000 0.445 5793 E N -0.569 119.619 120.200 -0.021 0.000 2.106 5793 E HA -0.105 4.245 4.350 0.000 0.000 0.192 5793 E C 2.175 178.767 176.600 -0.013 0.000 0.984 5793 E CA 1.105 57.500 56.400 -0.009 0.000 0.806 5793 E CB -0.639 29.069 29.700 0.013 0.000 0.750 5793 E HN 0.591 nan 8.360 nan 0.000 0.458 5794 G N 1.102 109.903 108.800 0.002 0.000 2.403 5794 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 5794 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 5794 G C 1.748 176.625 174.900 -0.039 0.000 1.154 5794 G CA 0.287 45.396 45.100 0.015 0.000 0.784 5794 G HN 0.152 nan 8.290 nan 0.000 0.538 5795 I N -0.172 120.319 120.570 -0.132 0.000 2.202 5795 I HA -0.013 4.157 4.170 0.000 0.000 0.242 5795 I C 1.740 177.796 176.117 -0.102 0.000 1.091 5795 I CA 0.764 61.958 61.300 -0.176 0.000 1.368 5795 I CB -0.281 37.518 38.000 -0.334 0.000 1.058 5795 I HN 0.314 nan 8.210 nan 0.000 0.410 5796 S N -1.117 114.531 115.700 -0.087 0.000 3.443 5796 S HA -0.141 4.329 4.470 0.000 0.000 0.635 5796 S C 0.560 175.130 174.600 -0.049 0.000 2.555 5796 S CA 0.870 59.038 58.200 -0.052 0.000 2.778 5796 S CB -1.385 61.794 63.200 -0.034 0.000 0.331 5796 S HN 1.357 nan 8.310 nan 0.000 1.765 5797 G N 0.781 109.563 108.800 -0.030 0.000 2.547 5797 G HA2 -0.319 3.641 3.960 0.000 0.000 0.271 5797 G HA3 -0.319 3.641 3.960 0.000 0.000 0.271 5797 G C 0.366 175.256 174.900 -0.016 0.000 1.209 5797 G CA 1.067 46.154 45.100 -0.022 0.000 0.959 5797 G HN 1.148 nan 8.290 nan 0.000 0.563 5798 R N 0.572 121.066 120.500 -0.010 0.000 2.127 5798 R HA 0.135 4.475 4.340 0.000 0.000 0.217 5798 R C 2.484 178.786 176.300 0.003 0.000 1.074 5798 R CA 1.509 57.612 56.100 0.005 0.000 0.991 5798 R CB -0.189 30.122 30.300 0.018 0.000 0.895 5798 R HN 0.603 nan 8.270 nan 0.000 0.450 5799 E N 1.266 121.456 120.200 -0.018 0.000 2.204 5799 E HA -0.236 4.114 4.350 0.000 0.000 0.195 5799 E C 1.985 178.551 176.600 -0.057 0.000 0.990 5799 E CA 1.418 57.797 56.400 -0.034 0.000 0.821 5799 E CB -0.093 29.564 29.700 -0.072 0.000 0.750 5799 E HN 0.469 nan 8.360 nan 0.000 0.477 5800 Q N 0.200 119.963 119.800 -0.062 0.000 2.170 5800 Q HA -0.169 4.171 4.340 0.000 0.000 0.203 5800 Q C 1.716 177.696 176.000 -0.033 0.000 0.976 5800 Q CA 1.043 56.805 55.803 -0.069 0.000 0.858 5800 Q CB -0.209 28.496 28.738 -0.054 0.000 0.907 5800 Q HN 0.205 nan 8.270 nan 0.000 0.433 5801 L N 1.070 122.291 121.223 -0.004 0.000 2.109 5801 L HA -0.014 4.326 4.340 0.000 0.000 0.207 5801 L C 2.532 179.431 176.870 0.048 0.000 1.086 5801 L CA 1.865 56.719 54.840 0.022 0.000 0.760 5801 L CB -0.980 41.100 42.059 0.034 0.000 0.910 5801 L HN 0.393 nan 8.230 nan 0.000 0.437 5802 A N -1.324 121.537 122.820 0.069 0.000 1.929 5802 A HA -0.093 4.227 4.320 0.000 0.000 0.216 5802 A C 2.320 179.857 177.584 -0.080 0.000 1.176 5802 A CA 1.546 53.675 52.037 0.153 0.000 0.628 5802 A CB -0.738 18.410 19.000 0.247 0.000 0.816 5802 A HN 0.191 nan 8.150 nan 0.000 0.444 5803 V N 0.001 119.856 119.914 -0.098 0.000 2.427 5803 V HA -0.190 3.930 4.120 0.000 0.000 0.248 5803 V C 2.635 178.699 176.094 -0.050 0.000 1.051 5803 V CA 2.195 64.411 62.300 -0.139 0.000 1.048 5803 V CB -0.781 30.941 31.823 -0.168 0.000 0.666 5803 V HN 0.599 nan 8.190 nan 0.000 0.456 5804 R N 1.205 121.687 120.500 -0.030 0.000 2.081 5804 R HA -0.061 4.279 4.340 0.000 0.000 0.235 5804 R C 2.154 178.452 176.300 -0.003 0.000 1.131 5804 R CA 1.852 57.950 56.100 -0.003 0.000 0.960 5804 R CB -0.920 29.381 30.300 0.002 0.000 0.856 5804 R HN 0.435 nan 8.270 nan 0.000 0.436 5805 A N -0.505 122.311 122.820 -0.005 0.000 1.930 5805 A HA -0.120 4.200 4.320 0.000 0.000 0.217 5805 A C 2.161 179.701 177.584 -0.074 0.000 1.175 5805 A CA 1.333 53.379 52.037 0.015 0.000 0.627 5805 A CB -0.820 18.269 19.000 0.149 0.000 0.815 5805 A HN 0.481 nan 8.150 nan 0.000 0.443 5806 F N 0.882 120.571 119.950 -0.435 0.000 2.075 5806 F HA -0.065 4.462 4.527 0.000 0.000 0.297 5806 F C 2.553 178.237 175.800 -0.194 0.000 1.113 5806 F CA 1.538 59.250 58.000 -0.481 0.000 1.218 5806 F CB -0.347 38.263 39.000 -0.649 0.000 0.984 5806 F HN 0.244 nan 8.300 nan 0.000 0.472 5807 A N -0.160 122.721 122.820 0.102 0.000 1.933 5807 A HA -0.188 4.132 4.320 0.000 0.000 0.218 5807 A C 1.892 179.449 177.584 -0.045 0.000 1.175 5807 A CA 2.006 54.081 52.037 0.064 0.000 0.628 5807 A CB -0.961 18.095 19.000 0.093 0.000 0.814 5807 A HN 0.463 nan 8.150 nan 0.000 0.444 5808 D N -0.051 120.321 120.400 -0.046 0.000 2.149 5808 D HA 0.022 4.662 4.640 0.000 0.000 0.201 5808 D C 2.187 178.440 176.300 -0.078 0.000 0.972 5808 D CA 1.347 55.318 54.000 -0.048 0.000 0.835 5808 D CB -0.367 40.418 40.800 -0.024 0.000 0.966 5808 D HN 0.415 nan 8.370 nan 0.000 0.476 5809 A N 0.475 123.225 122.820 -0.117 0.000 1.969 5809 A HA -0.116 4.204 4.320 0.000 0.000 0.218 5809 A C 2.019 179.497 177.584 -0.177 0.000 1.169 5809 A CA 0.762 52.717 52.037 -0.137 0.000 0.635 5809 A CB -0.528 18.379 19.000 -0.154 0.000 0.810 5809 A HN 0.139 nan 8.150 nan 0.000 0.445 5810 L N 0.273 121.351 121.223 -0.242 0.000 2.191 5810 L HA -0.139 4.201 4.340 0.000 0.000 0.212 5810 L C 1.997 178.793 176.870 -0.124 0.000 1.103 5810 L CA 1.659 56.372 54.840 -0.212 0.000 0.769 5810 L CB -0.755 41.175 42.059 -0.215 0.000 0.908 5810 L HN 0.479 nan 8.230 nan 0.000 0.438 5811 E N -1.382 118.758 120.200 -0.099 0.000 2.515 5811 E HA -0.130 4.220 4.350 0.000 0.000 0.201 5811 E C 2.188 178.750 176.600 -0.064 0.000 1.071 5811 E CA 0.259 56.616 56.400 -0.072 0.000 0.880 5811 E CB -0.064 29.602 29.700 -0.058 0.000 0.828 5811 E HN 0.294 nan 8.360 nan 0.000 0.540 5812 V N 1.042 120.913 119.914 -0.071 0.000 2.594 5812 V HA -0.238 3.882 4.120 0.000 0.000 0.253 5812 V C 1.717 177.779 176.094 -0.053 0.000 1.069 5812 V CA 1.237 63.501 62.300 -0.059 0.000 1.082 5812 V CB -0.172 31.614 31.823 -0.062 0.000 0.680 5812 V HN 0.275 nan 8.190 nan 0.000 0.469 5813 I N 0.357 120.893 120.570 -0.057 0.000 2.162 5813 I HA -0.017 4.153 4.170 0.000 0.000 0.238 5813 I C 0.245 176.335 176.117 -0.045 0.000 1.076 5813 I CA 1.416 62.687 61.300 -0.049 0.000 1.353 5813 I CB -2.839 35.132 38.000 -0.048 0.000 1.063 5813 I HN 0.304 nan 8.210 nan 0.000 0.408 5814 P HA -0.194 nan 4.420 nan 0.000 0.216 5814 P C 1.842 179.119 177.300 -0.038 0.000 1.157 5814 P CA 1.543 64.619 63.100 -0.040 0.000 0.880 5814 P CB -0.218 31.457 31.700 -0.042 0.000 0.791 5815 R N -0.012 120.465 120.500 -0.039 0.000 2.096 5815 R HA -0.140 4.200 4.340 0.000 0.000 0.240 5815 R C 1.921 178.200 176.300 -0.036 0.000 1.139 5815 R CA 2.767 58.846 56.100 -0.036 0.000 0.952 5815 R CB -1.485 28.793 30.300 -0.036 0.000 0.854 5815 R HN 0.283 nan 8.270 nan 0.000 0.436 5816 T N -1.580 112.950 114.554 -0.039 0.000 3.067 5816 T HA 0.020 4.370 4.350 0.000 0.000 0.257 5816 T C 2.005 176.678 174.700 -0.046 0.000 1.105 5816 T CA 0.097 62.173 62.100 -0.040 0.000 1.104 5816 T CB -0.042 68.803 68.868 -0.039 0.000 0.925 5816 T HN 0.025 nan 8.240 nan 0.000 0.498 5817 L N 1.678 122.871 121.223 -0.049 0.000 2.083 5817 L HA 0.228 4.568 4.340 0.000 0.000 0.209 5817 L C 2.927 179.758 176.870 -0.066 0.000 1.083 5817 L CA 1.630 56.433 54.840 -0.061 0.000 0.752 5817 L CB -1.202 40.824 42.059 -0.055 0.000 0.899 5817 L HN 0.455 nan 8.230 nan 0.000 0.433 5818 A N -1.536 121.254 122.820 -0.050 0.000 1.935 5818 A HA -0.117 4.203 4.320 0.000 0.000 0.214 5818 A C 2.230 179.789 177.584 -0.043 0.000 1.178 5818 A CA 1.009 53.019 52.037 -0.046 0.000 0.640 5818 A CB -0.367 18.613 19.000 -0.033 0.000 0.825 5818 A HN 0.341 nan 8.150 nan 0.000 0.447 5819 E N 1.613 121.790 120.200 -0.038 0.000 2.033 5819 E HA -0.258 4.092 4.350 0.000 0.000 0.199 5819 E C 1.682 178.260 176.600 -0.036 0.000 1.011 5819 E CA 2.053 58.433 56.400 -0.034 0.000 0.815 5819 E CB -0.253 29.428 29.700 -0.031 0.000 0.755 5819 E HN 0.768 nan 8.360 nan 0.000 0.451 5820 N N -0.125 118.549 118.700 -0.042 0.000 2.467 5820 N HA 0.014 4.754 4.740 0.000 0.000 0.184 5820 N C 1.076 176.554 175.510 -0.054 0.000 1.106 5820 N CA 1.055 54.079 53.050 -0.044 0.000 0.892 5820 N CB -0.195 38.266 38.487 -0.044 0.000 0.969 5820 N HN 0.189 nan 8.380 nan 0.000 0.454 5821 A N -0.223 122.558 122.820 -0.065 0.000 2.208 5821 A HA 0.480 4.800 4.320 0.000 0.000 0.209 5821 A C 1.626 179.178 177.584 -0.054 0.000 1.161 5821 A CA 0.468 52.458 52.037 -0.078 0.000 0.782 5821 A CB -0.768 18.170 19.000 -0.103 0.000 0.816 5821 A HN 0.615 nan 8.150 nan 0.000 0.477 5822 G N -1.626 107.150 108.800 -0.040 0.000 2.132 5822 G HA2 -0.147 3.813 3.960 0.000 0.000 0.234 5822 G HA3 -0.147 3.813 3.960 0.000 0.000 0.234 5822 G C -0.169 174.717 174.900 -0.023 0.000 0.989 5822 G CA 0.197 45.280 45.100 -0.028 0.000 0.676 5822 G HN 0.278 nan 8.290 nan 0.000 0.522 5823 L N 0.790 121.996 121.223 -0.027 0.000 2.344 5823 L HA 0.516 4.856 4.340 0.000 0.000 0.272 5823 L C 0.285 177.143 176.870 -0.019 0.000 1.035 5823 L CA -0.847 53.981 54.840 -0.021 0.000 0.807 5823 L CB 1.368 43.413 42.059 -0.023 0.000 1.237 5823 L HN 0.211 nan 8.230 nan 0.000 0.442 5824 D N 1.430 121.821 120.400 -0.014 0.000 2.346 5824 D HA 0.112 4.752 4.640 0.000 0.000 0.260 5824 D C 0.829 177.120 176.300 -0.015 0.000 1.252 5824 D CA 0.113 54.105 54.000 -0.013 0.000 0.895 5824 D CB 1.600 42.395 40.800 -0.009 0.000 1.097 5824 D HN 0.642 nan 8.370 nan 0.000 0.489 5825 A N 5.457 128.266 122.820 -0.017 0.000 1.908 5825 A HA -0.192 4.128 4.320 0.000 0.000 0.218 5825 A C 2.139 179.714 177.584 -0.016 0.000 1.181 5825 A CA 0.878 52.903 52.037 -0.019 0.000 0.627 5825 A CB -0.234 18.753 19.000 -0.022 0.000 0.818 5825 A HN 0.710 nan 8.150 nan 0.000 0.445 5826 I N -0.256 120.306 120.570 -0.013 0.000 2.163 5826 I HA -0.200 3.970 4.170 0.000 0.000 0.240 5826 I C 2.475 178.588 176.117 -0.007 0.000 1.081 5826 I CA 1.857 63.151 61.300 -0.010 0.000 1.353 5826 I CB -1.517 36.478 38.000 -0.009 0.000 1.054 5826 I HN 0.572 nan 8.210 nan 0.000 0.407 5827 E N 0.937 121.133 120.200 -0.006 0.000 2.077 5827 E HA -0.207 4.143 4.350 0.000 0.000 0.193 5827 E C 2.313 178.911 176.600 -0.002 0.000 0.989 5827 E CA 1.122 57.520 56.400 -0.003 0.000 0.800 5827 E CB 0.191 29.889 29.700 -0.003 0.000 0.746 5827 E HN 0.238 nan 8.360 nan 0.000 0.452 5828 I N 0.859 121.427 120.570 -0.005 0.000 2.202 5828 I HA -0.234 3.936 4.170 0.000 0.000 0.242 5828 I C 2.397 178.512 176.117 -0.003 0.000 1.091 5828 I CA 0.806 62.104 61.300 -0.003 0.000 1.368 5828 I CB -0.962 37.033 38.000 -0.008 0.000 1.058 5828 I HN 0.244 nan 8.210 nan 0.000 0.410 5829 L N 0.135 121.353 121.223 -0.008 0.000 2.083 5829 L HA -0.146 4.194 4.340 0.000 0.000 0.209 5829 L C 2.574 179.442 176.870 -0.003 0.000 1.083 5829 L CA 1.265 56.100 54.840 -0.010 0.000 0.752 5829 L CB -1.000 41.049 42.059 -0.016 0.000 0.899 5829 L HN -0.001 nan 8.230 nan 0.000 0.433 5830 V N -0.824 119.090 119.914 -0.000 0.000 2.358 5830 V HA -0.272 3.848 4.120 0.000 0.000 0.246 5830 V C 2.422 178.523 176.094 0.011 0.000 1.047 5830 V CA 1.563 63.866 62.300 0.004 0.000 1.035 5830 V CB -0.492 31.333 31.823 0.003 0.000 0.658 5830 V HN 0.427 nan 8.190 nan 0.000 0.452 5831 K N -0.408 119.998 120.400 0.010 0.000 2.097 5831 K HA -0.075 4.245 4.320 0.000 0.000 0.205 5831 K C 2.018 178.632 176.600 0.023 0.000 1.050 5831 K CA 1.115 57.411 56.287 0.015 0.000 0.938 5831 K CB -0.204 32.303 32.500 0.012 0.000 0.718 5831 K HN 0.324 nan 8.250 nan 0.000 0.442 5832 V N 1.152 121.079 119.914 0.022 0.000 2.346 5832 V HA -0.163 3.957 4.120 0.000 0.000 0.244 5832 V C 2.135 178.259 176.094 0.051 0.000 1.037 5832 V CA 1.451 63.771 62.300 0.033 0.000 1.029 5832 V CB -0.388 31.446 31.823 0.017 0.000 0.663 5832 V HN 0.230 nan 8.190 nan 0.000 0.454 5833 R N 0.381 120.899 120.500 0.030 0.000 2.096 5833 R HA -0.105 4.235 4.340 0.000 0.000 0.235 5833 R C 2.410 178.753 176.300 0.071 0.000 1.127 5833 R CA 1.478 57.599 56.100 0.035 0.000 0.968 5833 R CB -0.588 29.716 30.300 0.006 0.000 0.861 5833 R HN 0.530 nan 8.270 nan 0.000 0.440 5834 A N 1.257 124.107 122.820 0.050 0.000 1.898 5834 A HA -0.070 4.250 4.320 0.000 0.000 0.216 5834 A C 2.376 179.992 177.584 0.054 0.000 1.181 5834 A CA 1.539 53.604 52.037 0.047 0.000 0.620 5834 A CB -0.607 18.411 19.000 0.029 0.000 0.819 5834 A HN 0.382 nan 8.150 nan 0.000 0.442 5835 A N -1.187 121.667 122.820 0.057 0.000 1.933 5835 A HA -0.223 4.097 4.320 0.000 0.000 0.218 5835 A C 2.137 179.758 177.584 0.062 0.000 1.175 5835 A CA 1.774 53.841 52.037 0.050 0.000 0.628 5835 A CB -0.912 18.116 19.000 0.047 0.000 0.814 5835 A HN 0.766 nan 8.150 nan 0.000 0.444 5836 H N 0.014 119.087 119.070 0.004 0.000 2.299 5836 H HA -0.047 4.509 4.556 0.000 0.000 0.302 5836 H C 2.330 177.661 175.328 0.004 0.000 1.078 5836 H CA 1.770 57.820 56.048 0.005 0.000 1.323 5836 H CB -0.283 29.482 29.762 0.005 0.000 1.381 5836 H HN 0.390 nan 8.280 nan 0.000 0.498 5837 A N 0.016 122.904 122.820 0.113 0.000 1.940 5837 A HA -0.179 4.141 4.320 0.000 0.000 0.219 5837 A C 2.776 180.346 177.584 -0.023 0.000 1.176 5837 A CA 2.104 54.172 52.037 0.052 0.000 0.631 5837 A CB -0.828 18.222 19.000 0.083 0.000 0.814 5837 A HN 0.519 nan 8.150 nan 0.000 0.446 5838 S N -0.657 115.033 115.700 -0.017 0.000 2.341 5838 S HA -0.068 4.402 4.470 0.000 0.000 0.216 5838 S C 1.861 176.433 174.600 -0.047 0.000 1.034 5838 S CA 0.966 59.152 58.200 -0.023 0.000 0.964 5838 S CB -0.387 62.810 63.200 -0.006 0.000 0.882 5838 S HN 0.640 nan 8.310 nan 0.000 0.469 5839 N N 0.984 119.652 118.700 -0.054 0.000 2.416 5839 N HA 0.213 4.953 4.740 0.000 0.000 0.177 5839 N C 1.044 176.495 175.510 -0.098 0.000 1.036 5839 N CA 0.942 53.958 53.050 -0.058 0.000 0.901 5839 N CB 0.460 38.927 38.487 -0.033 0.000 0.976 5839 N HN 0.595 nan 8.380 nan 0.000 0.444 5840 G N 0.650 109.336 108.800 -0.189 0.000 2.352 5840 G HA2 -0.183 3.777 3.960 0.000 0.000 0.324 5840 G HA3 -0.183 3.777 3.960 0.000 0.000 0.324 5840 G C -0.113 174.547 174.900 -0.399 0.000 1.249 5840 G CA -0.191 44.754 45.100 -0.258 0.000 1.053 5840 G HN 0.242 nan 8.290 nan 0.000 0.492 5841 N N -0.275 118.280 118.700 -0.242 0.000 2.368 5841 N HA 0.095 4.835 4.740 0.000 0.000 0.176 5841 N C 1.616 177.143 175.510 0.029 0.000 1.021 5841 N CA 0.912 53.908 53.050 -0.090 0.000 0.888 5841 N CB 0.108 38.598 38.487 0.005 0.000 0.995 5841 N HN 0.281 nan 8.380 nan 0.000 0.437 5842 K N -0.208 120.189 120.400 -0.005 0.000 2.374 5842 K HA 0.271 4.591 4.320 0.000 0.000 0.196 5842 K C -0.646 175.963 176.600 0.015 0.000 1.023 5842 K CA 0.148 56.444 56.287 0.016 0.000 1.103 5842 K CB 0.545 33.048 32.500 0.005 0.000 0.848 5842 K HN 0.115 nan 8.250 nan 0.000 0.528 5843 C N 1.001 120.302 119.300 0.001 0.000 3.094 5843 C HA 0.816 5.276 4.460 0.000 0.000 0.262 5843 C C 0.351 175.357 174.990 0.027 0.000 1.459 5843 C CA -0.723 58.297 59.018 0.003 0.000 1.570 5843 C CB -1.224 26.501 27.740 -0.024 0.000 2.056 5843 C HN 0.467 nan 8.230 nan 0.000 0.499 5844 A N 0.476 123.335 122.820 0.064 0.000 5.650 5844 A HA 0.952 5.272 4.320 0.000 0.000 0.194 5844 A C 0.232 177.861 177.584 0.075 0.000 0.895 5844 A CA 0.396 52.488 52.037 0.091 0.000 0.804 5844 A CB -0.453 18.654 19.000 0.178 0.000 2.103 5844 A HN 2.020 nan 8.150 nan 0.000 1.022 5845 G N -1.919 106.923 108.800 0.071 0.000 2.888 5845 G HA2 0.251 4.211 3.960 0.000 0.000 0.441 5845 G HA3 0.251 4.211 3.960 0.000 0.000 0.441 5845 G C -0.831 174.089 174.900 0.033 0.000 1.461 5845 G CA -0.069 45.056 45.100 0.041 0.000 0.897 5845 G HN 1.440 nan 8.290 nan 0.000 0.547 5846 L N 0.508 121.742 121.223 0.020 0.000 2.292 5846 L HA 0.497 4.837 4.340 0.000 0.000 0.284 5846 L C 0.577 177.464 176.870 0.027 0.000 1.065 5846 L CA -0.455 54.393 54.840 0.013 0.000 0.806 5846 L CB 1.612 43.665 42.059 -0.010 0.000 1.175 5846 L HN 0.626 nan 8.230 nan 0.000 0.431 5847 N N 1.202 119.926 118.700 0.040 0.000 2.699 5847 N HA 0.211 4.951 4.740 0.000 0.000 0.232 5847 N C 0.842 176.378 175.510 0.042 0.000 1.027 5847 N CA -0.360 52.738 53.050 0.080 0.000 0.920 5847 N CB 0.962 39.512 38.487 0.105 0.000 1.148 5847 N HN 0.445 nan 8.380 nan 0.000 0.509 5848 V N 0.783 120.668 119.914 -0.048 0.000 2.913 5848 V HA -0.034 4.087 4.120 0.000 0.000 0.260 5848 V C 1.439 177.425 176.094 -0.181 0.000 1.098 5848 V CA 1.228 63.436 62.300 -0.153 0.000 1.121 5848 V CB -1.200 30.464 31.823 -0.265 0.000 0.714 5848 V HN 0.409 nan 8.190 nan 0.000 0.487 5849 F N 2.505 122.456 119.950 0.001 0.000 2.206 5849 F HA -0.055 4.472 4.527 0.000 0.000 0.298 5849 F C 2.727 178.528 175.800 0.002 0.000 1.090 5849 F CA 1.862 59.863 58.000 0.002 0.000 1.323 5849 F CB -0.386 38.616 39.000 0.002 0.000 1.028 5849 F HN 0.366 nan 8.300 nan 0.000 0.492 5850 T N -3.771 110.891 114.554 0.179 0.000 3.022 5850 T HA 0.363 4.713 4.350 0.000 0.000 0.250 5850 T C 1.437 176.168 174.700 0.052 0.000 1.060 5850 T CA 0.421 62.578 62.100 0.096 0.000 1.013 5850 T CB 0.270 69.185 68.868 0.078 0.000 0.982 5850 T HN 0.376 nan 8.240 nan 0.000 0.508 5851 G N 1.057 109.879 108.800 0.037 0.000 2.291 5851 G HA2 0.287 4.247 3.960 0.000 0.000 0.271 5851 G HA3 0.287 4.247 3.960 0.000 0.000 0.271 5851 G C 0.036 174.943 174.900 0.012 0.000 1.099 5851 G CA -0.229 44.876 45.100 0.008 0.000 0.919 5851 G HN 1.393 nan 8.290 nan 0.000 0.496 5852 A N -1.507 121.324 122.820 0.020 0.000 2.601 5852 A HA 0.903 5.223 4.320 0.000 0.000 0.291 5852 A C 0.036 177.635 177.584 0.024 0.000 1.075 5852 A CA 0.110 52.159 52.037 0.020 0.000 0.671 5852 A CB 1.398 20.412 19.000 0.023 0.000 1.277 5852 A HN 1.818 nan 8.150 nan 0.000 0.417 5853 V N 1.420 121.347 119.914 0.022 0.000 2.673 5853 V HA 0.450 4.570 4.120 0.000 0.000 0.303 5853 V C -0.040 176.073 176.094 0.032 0.000 1.046 5853 V CA 0.936 63.252 62.300 0.027 0.000 1.126 5853 V CB 0.514 32.353 31.823 0.026 0.000 0.934 5853 V HN 0.908 nan 8.190 nan 0.000 0.487 5854 E N 3.616 123.839 120.200 0.037 0.000 2.350 5854 E HA 0.448 4.798 4.350 0.000 0.000 0.243 5854 E C -1.649 174.973 176.600 0.037 0.000 0.959 5854 E CA -0.716 55.706 56.400 0.037 0.000 0.883 5854 E CB 0.865 30.592 29.700 0.044 0.000 1.820 5854 E HN 0.659 nan 8.360 nan 0.000 0.441 5855 D N 1.403 121.823 120.400 0.033 0.000 2.427 5855 D HA 0.234 4.874 4.640 0.000 0.000 0.226 5855 D C 1.086 177.407 176.300 0.035 0.000 1.076 5855 D CA -0.304 53.714 54.000 0.030 0.000 0.849 5855 D CB 1.022 41.833 40.800 0.019 0.000 1.052 5855 D HN 0.162 nan 8.370 nan 0.000 0.515 5856 M N 0.386 120.012 119.600 0.043 0.000 2.099 5856 M HA -0.123 4.357 4.480 0.000 0.000 0.262 5856 M C 2.285 178.607 176.300 0.036 0.000 1.067 5856 M CA 0.886 56.214 55.300 0.047 0.000 1.124 5856 M CB -0.826 31.804 32.600 0.051 0.000 1.353 5856 M HN 0.502 nan 8.290 nan 0.000 0.410 5857 C N 0.698 120.016 119.300 0.031 0.000 2.429 5857 C HA -0.162 4.298 4.460 0.000 0.000 0.277 5857 C C 2.707 177.706 174.990 0.015 0.000 1.262 5857 C CA 1.343 60.374 59.018 0.022 0.000 1.733 5857 C CB -0.929 26.823 27.740 0.020 0.000 2.010 5857 C HN 0.633 nan 8.230 nan 0.000 0.483 5858 E N 0.132 120.340 120.200 0.014 0.000 2.118 5858 E HA -0.202 4.148 4.350 0.000 0.000 0.195 5858 E C 1.206 177.809 176.600 0.005 0.000 0.992 5858 E CA 1.354 57.759 56.400 0.008 0.000 0.804 5858 E CB -0.144 29.561 29.700 0.008 0.000 0.741 5858 E HN 0.630 nan 8.360 nan 0.000 0.458 5859 N N -0.526 118.180 118.700 0.011 0.000 2.398 5859 N HA 0.041 4.781 4.740 0.000 0.000 0.188 5859 N C 0.591 176.100 175.510 -0.002 0.000 1.122 5859 N CA 0.910 53.962 53.050 0.003 0.000 0.866 5859 N CB 0.945 39.441 38.487 0.015 0.000 0.970 5859 N HN 0.320 nan 8.380 nan 0.000 0.462 5860 G N 0.151 108.955 108.800 0.005 0.000 2.160 5860 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 5860 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 5860 G C -0.074 174.836 174.900 0.017 0.000 1.008 5860 G CA 0.151 45.254 45.100 0.005 0.000 0.724 5860 G HN 0.196 nan 8.290 nan 0.000 0.514 5861 V N 1.377 121.311 119.914 0.034 0.000 2.222 5861 V HA 0.482 4.602 4.120 0.000 0.000 0.253 5861 V C 0.790 176.913 176.094 0.047 0.000 1.210 5861 V CA 0.112 62.447 62.300 0.058 0.000 1.079 5861 V CB 0.490 32.365 31.823 0.088 0.000 1.265 5861 V HN 1.022 nan 8.190 nan 0.000 0.494 5862 V N 1.228 121.165 119.914 0.038 0.000 2.876 5862 V HA 0.795 4.915 4.120 0.000 0.000 0.312 5862 V C -0.702 175.409 176.094 0.029 0.000 1.085 5862 V CA -0.820 61.498 62.300 0.031 0.000 0.945 5862 V CB 2.485 34.321 31.823 0.023 0.000 1.017 5862 V HN 0.625 nan 8.190 nan 0.000 0.428 5863 E N 2.856 123.071 120.200 0.025 0.000 2.317 5863 E HA 0.533 4.883 4.350 0.000 0.000 0.270 5863 E C -2.972 173.639 176.600 0.018 0.000 0.885 5863 E CA -2.265 54.148 56.400 0.022 0.000 0.760 5863 E CB 2.743 32.456 29.700 0.021 0.000 1.227 5863 E HN 0.550 nan 8.360 nan 0.000 0.434 5864 P HA -0.098 nan 4.420 nan 0.000 0.266 5864 P C 0.507 177.816 177.300 0.014 0.000 1.193 5864 P CA -0.098 63.010 63.100 0.014 0.000 0.770 5864 P CB 0.528 32.236 31.700 0.013 0.000 0.836 5865 L N 4.074 125.305 121.223 0.014 0.000 2.042 5865 L HA -0.172 4.168 4.340 0.000 0.000 0.210 5865 L C 2.345 179.224 176.870 0.014 0.000 1.076 5865 L CA 1.868 56.716 54.840 0.014 0.000 0.749 5865 L CB -0.839 41.227 42.059 0.013 0.000 0.893 5865 L HN 0.308 nan 8.230 nan 0.000 0.432 5866 R N -0.967 119.541 120.500 0.013 0.000 2.105 5866 R HA -0.151 4.189 4.340 0.000 0.000 0.239 5866 R C 2.045 178.354 176.300 0.014 0.000 1.135 5866 R CA 1.793 57.901 56.100 0.013 0.000 0.967 5866 R CB -0.299 30.008 30.300 0.012 0.000 0.861 5866 R HN 0.395 nan 8.270 nan 0.000 0.442 5867 V N 1.440 121.363 119.914 0.014 0.000 2.255 5867 V HA -0.274 3.846 4.120 0.000 0.000 0.247 5867 V C 2.285 178.387 176.094 0.014 0.000 1.051 5867 V CA 1.875 64.183 62.300 0.013 0.000 1.018 5867 V CB -0.357 31.473 31.823 0.013 0.000 0.641 5867 V HN 0.292 nan 8.190 nan 0.000 0.445 5868 K N -0.392 120.017 120.400 0.015 0.000 2.167 5868 K HA -0.008 4.312 4.320 0.000 0.000 0.203 5868 K C 2.176 178.789 176.600 0.023 0.000 1.052 5868 K CA 1.290 57.586 56.287 0.016 0.000 0.956 5868 K CB -0.654 31.855 32.500 0.015 0.000 0.735 5868 K HN 0.494 nan 8.250 nan 0.000 0.451 5869 T N 1.372 115.940 114.554 0.023 0.000 2.812 5869 T HA -0.132 4.218 4.350 0.000 0.000 0.264 5869 T C 1.911 176.630 174.700 0.031 0.000 1.042 5869 T CA 1.288 63.404 62.100 0.028 0.000 1.140 5869 T CB -0.033 68.849 68.868 0.022 0.000 0.870 5869 T HN 0.122 nan 8.240 nan 0.000 0.445 5870 Q N 1.321 121.136 119.800 0.025 0.000 2.123 5870 Q HA 0.171 4.511 4.340 0.000 0.000 0.199 5870 Q C 2.248 178.264 176.000 0.028 0.000 0.966 5870 Q CA 1.520 57.338 55.803 0.025 0.000 0.845 5870 Q CB -0.668 28.082 28.738 0.019 0.000 0.907 5870 Q HN 0.471 nan 8.270 nan 0.000 0.439 5871 A N 0.525 123.359 122.820 0.024 0.000 1.883 5871 A HA -0.156 4.164 4.320 0.000 0.000 0.217 5871 A C 1.939 179.541 177.584 0.030 0.000 1.186 5871 A CA 1.594 53.643 52.037 0.020 0.000 0.624 5871 A CB -0.680 18.327 19.000 0.011 0.000 0.822 5871 A HN 0.444 nan 8.150 nan 0.000 0.444 5872 I N -0.370 120.226 120.570 0.044 0.000 2.252 5872 I HA -0.177 3.993 4.170 0.000 0.000 0.245 5872 I C 2.661 178.838 176.117 0.101 0.000 1.102 5872 I CA 1.159 62.508 61.300 0.081 0.000 1.385 5872 I CB -1.430 36.632 38.000 0.103 0.000 1.064 5872 I HN 0.361 nan 8.210 nan 0.000 0.414 5873 Q N 0.703 120.548 119.800 0.074 0.000 2.002 5873 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 5873 Q C 2.505 178.546 176.000 0.067 0.000 0.988 5873 Q CA 1.883 57.727 55.803 0.069 0.000 0.843 5873 Q CB -0.550 28.216 28.738 0.047 0.000 0.908 5873 Q HN 0.387 nan 8.270 nan 0.000 0.420 5874 S N 0.820 116.551 115.700 0.051 0.000 2.356 5874 S HA -0.132 4.338 4.470 0.000 0.000 0.223 5874 S C 1.944 176.576 174.600 0.052 0.000 1.032 5874 S CA 1.149 59.376 58.200 0.044 0.000 1.005 5874 S CB -0.276 62.943 63.200 0.031 0.000 0.867 5874 S HN 0.517 nan 8.310 nan 0.000 0.449 5875 A N 1.398 124.250 122.820 0.054 0.000 1.873 5875 A HA 0.165 4.485 4.320 0.000 0.000 0.215 5875 A C 2.332 179.973 177.584 0.095 0.000 1.186 5875 A CA 1.707 53.774 52.037 0.051 0.000 0.616 5875 A CB -1.071 17.943 19.000 0.022 0.000 0.823 5875 A HN 0.515 nan 8.150 nan 0.000 0.442 5876 A N -0.691 122.221 122.820 0.154 0.000 1.898 5876 A HA -0.025 4.295 4.320 0.000 0.000 0.214 5876 A C 1.961 179.674 177.584 0.216 0.000 1.183 5876 A CA 1.911 54.121 52.037 0.288 0.000 0.622 5876 A CB -0.393 18.874 19.000 0.446 0.000 0.824 5876 A HN 0.489 nan 8.150 nan 0.000 0.444 5877 E N 0.068 120.352 120.200 0.139 0.000 2.150 5877 E HA -0.112 4.238 4.350 0.000 0.000 0.193 5877 E C 2.134 178.779 176.600 0.074 0.000 0.985 5877 E CA 1.356 57.814 56.400 0.096 0.000 0.814 5877 E CB -0.328 29.414 29.700 0.069 0.000 0.752 5877 E HN 0.458 nan 8.360 nan 0.000 0.466 5878 S N -1.303 114.438 115.700 0.068 0.000 2.368 5878 S HA -0.131 4.339 4.470 0.000 0.000 0.224 5878 S C 1.898 176.522 174.600 0.041 0.000 1.029 5878 S CA 1.760 59.989 58.200 0.047 0.000 0.988 5878 S CB -0.540 62.684 63.200 0.039 0.000 0.838 5878 S HN 0.421 nan 8.310 nan 0.000 0.462 5879 T N 1.831 116.423 114.554 0.063 0.000 2.674 5879 T HA -0.082 4.268 4.350 0.000 0.000 0.265 5879 T C 1.841 176.542 174.700 0.003 0.000 1.039 5879 T CA 1.400 63.523 62.100 0.039 0.000 1.150 5879 T CB -0.490 68.447 68.868 0.115 0.000 0.864 5879 T HN 0.426 nan 8.240 nan 0.000 0.427 5880 E N 0.798 121.039 120.200 0.068 0.000 2.204 5880 E HA -0.122 4.228 4.350 0.000 0.000 0.195 5880 E C 2.117 178.727 176.600 0.017 0.000 0.990 5880 E CA 0.827 57.255 56.400 0.047 0.000 0.821 5880 E CB -0.237 29.528 29.700 0.108 0.000 0.750 5880 E HN 0.502 nan 8.360 nan 0.000 0.477 5881 M N -0.174 119.441 119.600 0.024 0.000 2.099 5881 M HA -0.176 4.304 4.480 0.000 0.000 0.262 5881 M C 1.877 178.178 176.300 0.001 0.000 1.067 5881 M CA 1.057 56.366 55.300 0.016 0.000 1.124 5881 M CB 0.010 32.623 32.600 0.022 0.000 1.353 5881 M HN 0.097 nan 8.290 nan 0.000 0.410 5882 L N 0.756 121.975 121.223 -0.005 0.000 2.201 5882 L HA -0.101 4.239 4.340 0.000 0.000 0.212 5882 L C 2.147 178.996 176.870 -0.035 0.000 1.105 5882 L CA 1.494 56.326 54.840 -0.013 0.000 0.775 5882 L CB -1.065 40.986 42.059 -0.014 0.000 0.913 5882 L HN 0.388 nan 8.230 nan 0.000 0.440 5883 L N -1.269 119.916 121.223 -0.063 0.000 2.265 5883 L HA -0.189 4.151 4.340 0.000 0.000 0.215 5883 L C 2.500 179.338 176.870 -0.052 0.000 1.117 5883 L CA 0.844 55.629 54.840 -0.091 0.000 0.782 5883 L CB -0.359 41.607 42.059 -0.155 0.000 0.914 5883 L HN 0.233 nan 8.230 nan 0.000 0.441 5884 R N -0.368 120.116 120.500 -0.026 0.000 2.153 5884 R HA 0.013 4.353 4.340 0.000 0.000 0.218 5884 R C 0.183 176.480 176.300 -0.005 0.000 1.072 5884 R CA 0.370 56.466 56.100 -0.007 0.000 0.990 5884 R CB -0.050 30.253 30.300 0.004 0.000 0.889 5884 R HN 0.122 nan 8.270 nan 0.000 0.452 5885 I N 1.423 121.989 120.570 -0.006 0.000 2.396 5885 I HA -0.036 4.134 4.170 0.000 0.000 0.289 5885 I C 0.470 176.586 176.117 -0.001 0.000 1.056 5885 I CA 0.511 61.812 61.300 0.002 0.000 1.365 5885 I CB 1.157 39.162 38.000 0.009 0.000 1.407 5885 I HN -0.102 nan 8.210 nan 0.000 0.509 5886 D N 3.542 123.944 120.400 0.003 0.000 2.535 5886 D HA 0.138 4.778 4.640 0.000 0.000 0.229 5886 D C -0.910 175.399 176.300 0.015 0.000 1.238 5886 D CA 0.144 54.145 54.000 0.003 0.000 0.824 5886 D CB 0.243 41.040 40.800 -0.006 0.000 1.045 5886 D HN 0.446 nan 8.370 nan 0.000 0.500 5887 D N -0.258 120.153 120.400 0.019 0.000 2.931 5887 D HA 0.207 4.848 4.640 0.000 0.000 0.215 5887 D C -1.481 174.830 176.300 0.017 0.000 1.297 5887 D CA -0.437 53.575 54.000 0.021 0.000 0.892 5887 D CB 1.883 42.691 40.800 0.014 0.000 1.642 5887 D HN -0.256 nan 8.370 nan 0.000 0.560 5888 V N 4.982 124.907 119.914 0.019 0.000 2.378 5888 V HA 0.527 4.647 4.120 0.000 0.000 0.288 5888 V C 0.138 176.225 176.094 -0.011 0.000 1.016 5888 V CA -0.547 61.753 62.300 -0.002 0.000 0.840 5888 V CB 1.371 33.186 31.823 -0.013 0.000 0.994 5888 V HN 0.489 nan 8.190 nan 0.000 0.431 5889 I N 4.518 125.077 120.570 -0.018 0.000 2.411 5889 I HA 0.688 4.858 4.170 0.000 0.000 0.284 5889 I C 0.237 176.338 176.117 -0.027 0.000 1.012 5889 I CA -0.462 60.827 61.300 -0.018 0.000 1.119 5889 I CB 1.745 39.738 38.000 -0.011 0.000 1.261 5889 I HN 0.647 nan 8.210 nan 0.000 0.448 5890 A N 5.118 127.919 122.820 -0.032 0.000 2.304 5890 A HA 0.861 5.181 4.320 0.000 0.000 0.323 5890 A C 0.162 177.731 177.584 -0.024 0.000 1.195 5890 A CA -0.484 51.532 52.037 -0.035 0.000 0.826 5890 A CB 1.066 20.037 19.000 -0.049 0.000 1.184 5890 A HN 0.775 nan 8.150 nan 0.000 0.496 5891 A N 2.397 125.205 122.820 -0.020 0.000 2.386 5891 A HA 0.475 4.795 4.320 0.000 0.000 0.248 5891 A C 0.454 178.030 177.584 -0.015 0.000 1.082 5891 A CA -0.195 51.833 52.037 -0.015 0.000 0.789 5891 A CB 0.010 19.002 19.000 -0.012 0.000 1.025 5891 A HN 0.875 nan 8.150 nan 0.000 0.490 5892 E N 0.000 120.193 120.200 -0.012 0.000 2.725 5892 E HA 0.000 4.350 4.350 0.000 0.000 0.291 5892 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 5892 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 5892 E HN 0.000 nan 8.360 nan 0.000 0.440