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_J DATA FIRST_RESID 4420 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 4420 V HA 0.000 nan 4.120 nan 0.000 0.244 4420 V C 0.000 176.086 176.094 -0.014 0.000 1.182 4420 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 4420 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 4421 L N 2.895 124.108 121.223 -0.017 0.000 2.307 4421 L HA 0.563 4.903 4.340 0.000 0.000 0.282 4421 L C -2.216 174.641 176.870 -0.020 0.000 1.051 4421 L CA -1.512 53.316 54.840 -0.020 0.000 0.804 4421 L CB 0.746 42.790 42.059 -0.025 0.000 1.197 4421 L HN 0.164 nan 8.230 nan 0.000 0.431 4422 P HA 0.100 nan 4.420 nan 0.000 0.268 4422 P C -0.738 176.550 177.300 -0.021 0.000 1.204 4422 P CA -0.232 62.858 63.100 -0.017 0.000 0.768 4422 P CB 0.444 32.135 31.700 -0.015 0.000 0.842 4423 E N 2.210 122.398 120.200 -0.019 0.000 2.360 4423 E HA 0.049 4.399 4.350 0.000 0.000 0.269 4423 E C 0.565 177.154 176.600 -0.018 0.000 1.022 4423 E CA 0.124 56.512 56.400 -0.021 0.000 0.887 4423 E CB 0.291 29.980 29.700 -0.018 0.000 0.990 4423 E HN 0.514 nan 8.360 nan 0.000 0.426 4424 N N 1.053 119.742 118.700 -0.019 0.000 2.993 4424 N HA -0.147 4.593 4.740 0.000 0.000 0.171 4424 N C -0.738 174.766 175.510 -0.010 0.000 1.446 4424 N CA 0.702 53.745 53.050 -0.011 0.000 1.542 4424 N CB -0.481 38.001 38.487 -0.007 0.000 1.042 4424 N HN 0.321 nan 8.380 nan 0.000 0.638 4425 M N 1.523 121.113 119.600 -0.016 0.000 2.250 4425 M HA 0.298 4.778 4.480 0.000 0.000 0.344 4425 M C -0.001 176.280 176.300 -0.032 0.000 1.150 4425 M CA 0.335 55.626 55.300 -0.015 0.000 1.147 4425 M CB 0.904 33.493 32.600 -0.018 0.000 1.498 4425 M HN 0.044 nan 8.290 nan 0.000 0.461 4426 K N 1.892 122.281 120.400 -0.018 0.000 2.244 4426 K HA 0.584 4.904 4.320 0.000 0.000 0.260 4426 K C -0.498 176.052 176.600 -0.083 0.000 0.951 4426 K CA -0.636 55.608 56.287 -0.071 0.000 0.826 4426 K CB 2.405 34.931 32.500 0.043 0.000 1.108 4426 K HN 0.529 nan 8.250 nan 0.000 0.433 4427 R N 3.123 123.472 120.500 -0.252 0.000 2.538 4427 R HA 0.320 4.660 4.340 0.000 0.000 0.292 4427 R C -1.605 174.493 176.300 -0.336 0.000 1.008 4427 R CA -0.511 55.490 56.100 -0.164 0.000 0.896 4427 R CB 0.882 31.131 30.300 -0.087 0.000 1.187 4427 R HN 0.550 nan 8.270 nan 0.000 0.440 4428 Y N 3.286 123.590 120.300 0.006 0.000 2.562 4428 Y HA 0.570 5.120 4.550 -0.000 0.000 0.343 4428 Y C 0.232 176.132 175.900 0.001 0.000 1.025 4428 Y CA -0.869 57.234 58.100 0.004 0.000 1.082 4428 Y CB 2.437 40.902 38.460 0.008 0.000 1.264 4428 Y HN 0.307 nan 8.280 nan 0.000 0.478 4429 M N 0.543 120.234 119.600 0.152 0.000 2.593 4429 M HA 0.584 5.064 4.480 0.000 0.000 0.290 4429 M C 0.458 176.793 176.300 0.059 0.000 1.244 4429 M CA -0.334 55.012 55.300 0.076 0.000 0.857 4429 M CB 2.472 35.095 32.600 0.039 0.000 1.738 4429 M HN 0.889 nan 8.290 nan 0.000 0.461 4430 G N 2.017 110.833 108.800 0.026 0.000 2.556 4430 G HA2 -0.335 3.625 3.960 0.000 0.000 0.283 4430 G HA3 -0.335 3.625 3.960 0.000 0.000 0.283 4430 G C 0.505 175.400 174.900 -0.010 0.000 1.177 4430 G CA 0.793 45.892 45.100 -0.001 0.000 0.978 4430 G HN 0.988 nan 8.290 nan 0.000 0.554 4431 R N 0.510 121.002 120.500 -0.014 0.000 2.237 4431 R HA 0.064 4.404 4.340 0.000 0.000 0.219 4431 R C 1.553 177.840 176.300 -0.021 0.000 1.080 4431 R CA 2.066 58.151 56.100 -0.025 0.000 0.995 4431 R CB -0.268 30.018 30.300 -0.024 0.000 0.875 4431 R HN 0.495 nan 8.270 nan 0.000 0.462 4432 D N 1.432 121.840 120.400 0.013 0.000 2.183 4432 D HA 0.008 4.648 4.640 0.000 0.000 0.205 4432 D C 1.959 178.247 176.300 -0.020 0.000 0.962 4432 D CA 1.347 55.355 54.000 0.013 0.000 0.849 4432 D CB -0.010 40.886 40.800 0.160 0.000 0.978 4432 D HN 0.391 nan 8.370 nan 0.000 0.488 4433 A N 1.158 124.018 122.820 0.067 0.000 1.902 4433 A HA -0.183 4.137 4.320 0.000 0.000 0.217 4433 A C 2.140 179.723 177.584 -0.003 0.000 1.181 4433 A CA 1.202 53.283 52.037 0.073 0.000 0.623 4433 A CB -0.285 18.763 19.000 0.080 0.000 0.818 4433 A HN 0.052 nan 8.150 nan 0.000 0.443 4434 Q N -0.724 119.059 119.800 -0.027 0.000 2.123 4434 Q HA -0.106 4.234 4.340 0.000 0.000 0.199 4434 Q C 2.231 178.184 176.000 -0.079 0.000 0.966 4434 Q CA 1.447 57.221 55.803 -0.050 0.000 0.845 4434 Q CB -0.398 28.306 28.738 -0.057 0.000 0.907 4434 Q HN 0.769 nan 8.270 nan 0.000 0.439 4435 R N -0.096 120.347 120.500 -0.094 0.000 2.070 4435 R HA -0.081 4.259 4.340 0.000 0.000 0.233 4435 R C 2.167 178.372 176.300 -0.158 0.000 1.137 4435 R CA 1.304 57.334 56.100 -0.117 0.000 0.945 4435 R CB 0.029 30.260 30.300 -0.115 0.000 0.845 4435 R HN 0.132 nan 8.270 nan 0.000 0.430 4436 M N 0.821 120.290 119.600 -0.217 0.000 2.132 4436 M HA -0.106 4.374 4.480 0.000 0.000 0.263 4436 M C 1.733 177.908 176.300 -0.208 0.000 1.065 4436 M CA 1.450 56.597 55.300 -0.255 0.000 1.122 4436 M CB -1.136 31.208 32.600 -0.426 0.000 1.365 4436 M HN 0.165 nan 8.290 nan 0.000 0.411 4437 N N 0.661 119.282 118.700 -0.133 0.000 2.216 4437 N HA 0.002 4.742 4.740 0.000 0.000 0.183 4437 N C 1.850 177.221 175.510 -0.232 0.000 1.017 4437 N CA 1.103 54.067 53.050 -0.143 0.000 0.861 4437 N CB -0.261 38.270 38.487 0.073 0.000 0.986 4437 N HN 0.364 nan 8.380 nan 0.000 0.428 4438 I N 0.319 120.800 120.570 -0.148 0.000 2.252 4438 I HA -0.201 3.969 4.170 0.000 0.000 0.245 4438 I C 1.661 177.689 176.117 -0.148 0.000 1.102 4438 I CA 0.549 61.773 61.300 -0.126 0.000 1.385 4438 I CB -0.093 37.850 38.000 -0.096 0.000 1.064 4438 I HN 0.020 nan 8.210 nan 0.000 0.414 4439 L N 0.855 121.981 121.223 -0.162 0.000 2.127 4439 L HA -0.194 4.146 4.340 0.000 0.000 0.211 4439 L C 2.679 179.449 176.870 -0.166 0.000 1.089 4439 L CA 1.981 56.735 54.840 -0.144 0.000 0.757 4439 L CB -1.248 40.728 42.059 -0.137 0.000 0.899 4439 L HN 0.212 nan 8.230 nan 0.000 0.434 4440 A N -0.667 121.993 122.820 -0.268 0.000 1.908 4440 A HA -0.139 4.181 4.320 0.000 0.000 0.218 4440 A C 2.435 179.918 177.584 -0.168 0.000 1.181 4440 A CA 1.790 53.653 52.037 -0.290 0.000 0.627 4440 A CB -1.290 17.301 19.000 -0.681 0.000 0.818 4440 A HN 0.441 nan 8.150 nan 0.000 0.445 4441 G N -0.942 107.766 108.800 -0.154 0.000 2.402 4441 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 4441 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 4441 G C 1.727 176.589 174.900 -0.064 0.000 1.162 4441 G CA 0.861 45.912 45.100 -0.081 0.000 0.777 4441 G HN 0.450 nan 8.290 nan 0.000 0.539 4442 R N 0.503 120.959 120.500 -0.074 0.000 2.105 4442 R HA -0.025 4.315 4.340 0.000 0.000 0.239 4442 R C 2.511 178.780 176.300 -0.052 0.000 1.135 4442 R CA 1.122 57.187 56.100 -0.058 0.000 0.967 4442 R CB -0.476 29.788 30.300 -0.060 0.000 0.861 4442 R HN 0.456 nan 8.270 nan 0.000 0.442 4443 I N 0.815 121.349 120.570 -0.059 0.000 2.226 4443 I HA -0.307 3.863 4.170 0.000 0.000 0.245 4443 I C 2.215 178.311 176.117 -0.035 0.000 1.100 4443 I CA 0.846 62.118 61.300 -0.046 0.000 1.374 4443 I CB -0.230 37.740 38.000 -0.050 0.000 1.057 4443 I HN 0.114 nan 8.210 nan 0.000 0.413 4444 I N 1.029 121.579 120.570 -0.034 0.000 2.226 4444 I HA -0.255 3.915 4.170 0.000 0.000 0.245 4444 I C 2.850 178.954 176.117 -0.022 0.000 1.100 4444 I CA 1.694 62.980 61.300 -0.023 0.000 1.374 4444 I CB -1.559 36.430 38.000 -0.018 0.000 1.057 4444 I HN 0.184 nan 8.210 nan 0.000 0.413 4445 A N 0.450 123.254 122.820 -0.027 0.000 1.902 4445 A HA -0.197 4.123 4.320 0.000 0.000 0.217 4445 A C 2.231 179.799 177.584 -0.027 0.000 1.181 4445 A CA 1.442 53.463 52.037 -0.027 0.000 0.623 4445 A CB -0.609 18.373 19.000 -0.031 0.000 0.818 4445 A HN 0.470 nan 8.150 nan 0.000 0.443 4446 E N -0.895 119.288 120.200 -0.028 0.000 2.204 4446 E HA -0.106 4.244 4.350 0.000 0.000 0.194 4446 E C 1.946 178.532 176.600 -0.023 0.000 0.989 4446 E CA 1.398 57.782 56.400 -0.027 0.000 0.824 4446 E CB -0.186 29.497 29.700 -0.028 0.000 0.756 4446 E HN 0.629 nan 8.360 nan 0.000 0.477 4447 T N 0.694 115.235 114.554 -0.021 0.000 2.698 4447 T HA -0.113 4.237 4.350 0.000 0.000 0.260 4447 T C 2.174 176.864 174.700 -0.016 0.000 1.044 4447 T CA 1.545 63.635 62.100 -0.017 0.000 1.149 4447 T CB -0.151 68.709 68.868 -0.014 0.000 0.864 4447 T HN 0.190 nan 8.240 nan 0.000 0.419 4448 V N 2.132 122.036 119.914 -0.016 0.000 3.129 4448 V HA 0.032 4.152 4.120 0.000 0.000 0.259 4448 V C 2.320 178.402 176.094 -0.019 0.000 1.116 4448 V CA 1.076 63.367 62.300 -0.015 0.000 1.127 4448 V CB -1.049 30.766 31.823 -0.013 0.000 0.742 4448 V HN 0.477 nan 8.190 nan 0.000 0.474 4449 R N 2.772 123.258 120.500 -0.022 0.000 2.249 4449 R HA -0.134 4.206 4.340 0.000 0.000 0.230 4449 R C 2.015 178.299 176.300 -0.027 0.000 1.121 4449 R CA 1.779 57.863 56.100 -0.026 0.000 0.997 4449 R CB -1.208 29.075 30.300 -0.029 0.000 0.867 4449 R HN 0.706 nan 8.270 nan 0.000 0.465 4450 S N 0.295 115.981 115.700 -0.024 0.000 2.515 4450 S HA -0.084 4.386 4.470 0.000 0.000 0.231 4450 S C 1.733 176.318 174.600 -0.025 0.000 0.987 4450 S CA 0.867 59.052 58.200 -0.024 0.000 0.936 4450 S CB -0.058 63.130 63.200 -0.020 0.000 0.766 4450 S HN 0.588 nan 8.310 nan 0.000 0.528 4451 T N -0.687 113.853 114.554 -0.023 0.000 3.044 4451 T HA 0.390 4.740 4.350 0.000 0.000 0.250 4451 T C 0.512 175.196 174.700 -0.027 0.000 1.081 4451 T CA -0.476 61.611 62.100 -0.021 0.000 1.040 4451 T CB -0.500 68.360 68.868 -0.014 0.000 0.962 4451 T HN 0.301 nan 8.240 nan 0.000 0.506 4452 L N 2.219 123.423 121.223 -0.032 0.000 2.456 4452 L HA 0.504 4.844 4.340 0.000 0.000 0.272 4452 L C 1.194 178.034 176.870 -0.051 0.000 1.189 4452 L CA 0.939 55.758 54.840 -0.036 0.000 0.846 4452 L CB -0.154 41.883 42.059 -0.037 0.000 1.111 4452 L HN 0.669 nan 8.230 nan 0.000 0.475 4453 G N 3.182 111.952 108.800 -0.050 0.000 2.663 4453 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 4453 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 4453 G C -2.403 172.440 174.900 -0.095 0.000 1.246 4453 G CA -0.729 44.326 45.100 -0.076 0.000 0.795 4453 G HN 0.472 nan 8.290 nan 0.000 0.627 4454 P HA -0.009 nan 4.420 nan 0.000 0.218 4454 P C 1.256 178.367 177.300 -0.316 0.000 1.148 4454 P CA 1.295 64.288 63.100 -0.178 0.000 0.822 4454 P CB 0.159 31.708 31.700 -0.252 0.000 0.784 4455 K N -0.333 119.841 120.400 -0.378 0.000 2.576 4455 K HA 0.293 4.613 4.320 0.000 0.000 0.209 4455 K C 0.958 177.471 176.600 -0.145 0.000 1.049 4455 K CA -0.126 55.993 56.287 -0.281 0.000 1.140 4455 K CB -0.021 32.278 32.500 -0.335 0.000 0.871 4455 K HN 0.057 nan 8.250 nan 0.000 0.479 4456 G N 0.848 109.583 108.800 -0.109 0.000 2.634 4456 G HA2 0.237 4.197 3.960 0.000 0.000 0.255 4456 G HA3 0.237 4.197 3.960 0.000 0.000 0.255 4456 G C 0.282 175.154 174.900 -0.046 0.000 1.205 4456 G CA -0.392 44.668 45.100 -0.067 0.000 0.884 4456 G HN -0.028 nan 8.290 nan 0.000 0.549 4457 M N -0.152 119.428 119.600 -0.034 0.000 2.679 4457 M HA 0.441 4.921 4.480 0.000 0.000 0.287 4457 M C -0.588 175.704 176.300 -0.013 0.000 1.202 4457 M CA -0.640 54.647 55.300 -0.022 0.000 0.911 4457 M CB 1.271 33.858 32.600 -0.021 0.000 1.556 4457 M HN 0.344 nan 8.290 nan 0.000 0.511 4458 D N 0.136 120.532 120.400 -0.007 0.000 2.449 4458 D HA 0.601 5.241 4.640 0.000 0.000 0.250 4458 D C -0.699 175.601 176.300 0.001 0.000 1.050 4458 D CA -0.418 53.582 54.000 0.000 0.000 1.024 4458 D CB 1.497 42.301 40.800 0.007 0.000 1.218 4458 D HN 0.263 nan 8.370 nan 0.000 0.566 4459 K N 0.133 120.536 120.400 0.006 0.000 2.385 4459 K HA 0.547 4.867 4.320 0.000 0.000 0.248 4459 K C -0.799 175.810 176.600 0.016 0.000 0.955 4459 K CA -0.815 55.476 56.287 0.007 0.000 0.816 4459 K CB 2.824 35.327 32.500 0.005 0.000 1.250 4459 K HN 0.276 nan 8.250 nan 0.000 0.434 4460 M N 3.495 123.104 119.600 0.015 0.000 2.078 4460 M HA 0.314 4.794 4.480 0.000 0.000 0.320 4460 M C -1.872 174.442 176.300 0.024 0.000 0.969 4460 M CA -0.959 54.356 55.300 0.025 0.000 0.929 4460 M CB 0.579 33.187 32.600 0.014 0.000 1.504 4460 M HN 0.396 nan 8.290 nan 0.000 0.419 4461 L N 5.472 126.714 121.223 0.032 0.000 2.322 4461 L HA 0.625 4.965 4.340 0.000 0.000 0.281 4461 L C -0.880 176.009 176.870 0.032 0.000 1.014 4461 L CA -0.450 54.405 54.840 0.025 0.000 0.815 4461 L CB 2.164 44.234 42.059 0.019 0.000 1.247 4461 L HN 0.434 nan 8.230 nan 0.000 0.421 4462 V N 2.796 122.725 119.914 0.026 0.000 2.378 4462 V HA 0.358 4.478 4.120 0.000 0.000 0.288 4462 V C -0.312 175.793 176.094 0.019 0.000 1.016 4462 V CA -0.974 61.343 62.300 0.028 0.000 0.840 4462 V CB 1.448 33.287 31.823 0.026 0.000 0.994 4462 V HN 0.841 nan 8.190 nan 0.000 0.431 4463 D N 3.486 123.896 120.400 0.017 0.000 2.398 4463 D HA 0.003 4.643 4.640 0.000 0.000 0.264 4463 D C 1.032 177.338 176.300 0.010 0.000 1.263 4463 D CA -0.219 53.788 54.000 0.011 0.000 1.037 4463 D CB 0.469 41.273 40.800 0.007 0.000 1.101 4463 D HN 0.570 nan 8.370 nan 0.000 0.551 4464 D N -0.851 119.553 120.400 0.007 0.000 2.348 4464 D HA -0.122 4.518 4.640 0.000 0.000 0.216 4464 D C 1.659 177.963 176.300 0.006 0.000 0.970 4464 D CA 0.503 54.507 54.000 0.006 0.000 0.889 4464 D CB -0.155 40.648 40.800 0.005 0.000 0.912 4464 D HN 0.381 nan 8.370 nan 0.000 0.524 4465 L N -0.852 120.375 121.223 0.007 0.000 2.554 4465 L HA 0.306 4.646 4.340 0.000 0.000 0.225 4465 L C 1.847 178.723 176.870 0.010 0.000 1.104 4465 L CA 0.539 55.383 54.840 0.006 0.000 0.866 4465 L CB 0.261 42.322 42.059 0.004 0.000 1.047 4465 L HN 0.297 nan 8.230 nan 0.000 0.468 4466 G N -0.366 108.442 108.800 0.013 0.000 2.218 4466 G HA2 -0.252 3.708 3.960 0.000 0.000 0.216 4466 G HA3 -0.252 3.708 3.960 0.000 0.000 0.216 4466 G C 0.117 175.034 174.900 0.029 0.000 0.994 4466 G CA -0.021 45.091 45.100 0.020 0.000 0.637 4466 G HN 0.313 nan 8.290 nan 0.000 0.505 4467 D N 1.032 121.446 120.400 0.022 0.000 2.455 4467 D HA 0.394 5.034 4.640 0.000 0.000 0.241 4467 D C 0.484 176.811 176.300 0.045 0.000 1.138 4467 D CA 0.269 54.283 54.000 0.024 0.000 0.877 4467 D CB 1.237 42.036 40.800 -0.003 0.000 1.187 4467 D HN 0.272 nan 8.370 nan 0.000 0.451 4468 V N 4.371 124.341 119.914 0.095 0.000 2.398 4468 V HA 0.350 4.470 4.120 0.000 0.000 0.286 4468 V C 0.139 176.326 176.094 0.154 0.000 1.026 4468 V CA -0.806 61.593 62.300 0.165 0.000 0.868 4468 V CB 1.705 33.689 31.823 0.270 0.000 0.982 4468 V HN 0.346 nan 8.190 nan 0.000 0.443 4469 V N 5.483 125.463 119.914 0.109 0.000 2.495 4469 V HA 0.465 4.585 4.120 0.000 0.000 0.298 4469 V C -0.251 175.906 176.094 0.105 0.000 1.031 4469 V CA -0.646 61.697 62.300 0.070 0.000 0.871 4469 V CB 2.145 33.981 31.823 0.022 0.000 0.988 4469 V HN 0.598 nan 8.190 nan 0.000 0.432 4470 V N 4.196 124.182 119.914 0.120 0.000 2.347 4470 V HA 0.688 4.808 4.120 0.000 0.000 0.280 4470 V C 0.141 176.265 176.094 0.051 0.000 1.021 4470 V CA 0.058 62.413 62.300 0.091 0.000 0.847 4470 V CB 1.377 33.269 31.823 0.115 0.000 0.990 4470 V HN 1.004 nan 8.190 nan 0.000 0.444 4471 T N 2.924 117.499 114.554 0.034 0.000 2.821 4471 T HA 0.327 4.677 4.350 0.000 0.000 0.306 4471 T C 0.234 174.943 174.700 0.015 0.000 1.313 4471 T CA -0.416 61.697 62.100 0.022 0.000 1.012 4471 T CB 1.992 70.870 68.868 0.016 0.000 1.298 4471 T HN 0.634 nan 8.240 nan 0.000 0.502 4472 N N 1.039 119.746 118.700 0.011 0.000 2.210 4472 N HA 0.093 4.833 4.740 0.000 0.000 0.203 4472 N C -0.788 174.724 175.510 0.004 0.000 1.175 4472 N CA -0.020 53.034 53.050 0.006 0.000 0.894 4472 N CB 0.493 38.983 38.487 0.006 0.000 1.041 4472 N HN 0.571 nan 8.380 nan 0.000 0.506 4473 D N 0.285 120.688 120.400 0.006 0.000 2.412 4473 D HA 0.148 4.788 4.640 0.000 0.000 0.257 4473 D C 1.386 177.688 176.300 0.003 0.000 1.217 4473 D CA 0.266 54.269 54.000 0.004 0.000 0.897 4473 D CB 1.079 41.882 40.800 0.005 0.000 1.132 4473 D HN 0.305 nan 8.370 nan 0.000 0.493 4474 G N 1.818 110.618 108.800 0.001 0.000 2.421 4474 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 4474 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 4474 G C 1.585 176.485 174.900 0.001 0.000 1.171 4474 G CA 0.362 45.462 45.100 -0.001 0.000 0.775 4474 G HN 0.471 nan 8.290 nan 0.000 0.543 4475 V N 0.851 120.766 119.914 0.002 0.000 2.490 4475 V HA -0.151 3.969 4.120 0.000 0.000 0.250 4475 V C 2.952 179.048 176.094 0.003 0.000 1.061 4475 V CA 2.901 65.203 62.300 0.003 0.000 1.064 4475 V CB -0.625 31.200 31.823 0.004 0.000 0.670 4475 V HN 0.414 nan 8.190 nan 0.000 0.461 4476 T N 0.820 115.376 114.554 0.003 0.000 2.812 4476 T HA -0.053 4.298 4.350 0.000 0.000 0.264 4476 T C 1.848 176.551 174.700 0.004 0.000 1.042 4476 T CA 1.618 63.720 62.100 0.003 0.000 1.140 4476 T CB -0.185 68.685 68.868 0.004 0.000 0.870 4476 T HN 0.330 nan 8.240 nan 0.000 0.445 4477 I N 0.972 121.544 120.570 0.004 0.000 2.179 4477 I HA -0.069 4.101 4.170 0.000 0.000 0.242 4477 I C 2.176 178.295 176.117 0.004 0.000 1.088 4477 I CA 1.222 62.525 61.300 0.004 0.000 1.357 4477 I CB -1.196 36.805 38.000 0.002 0.000 1.051 4477 I HN 0.214 nan 8.210 nan 0.000 0.409 4478 L N 0.171 121.396 121.223 0.004 0.000 2.179 4478 L HA -0.042 4.298 4.340 0.000 0.000 0.208 4478 L C 2.607 179.480 176.870 0.006 0.000 1.096 4478 L CA 1.337 56.180 54.840 0.005 0.000 0.779 4478 L CB -0.964 41.097 42.059 0.004 0.000 0.922 4478 L HN 0.179 nan 8.230 nan 0.000 0.443 4479 R N -0.131 120.372 120.500 0.005 0.000 2.066 4479 R HA -0.118 4.222 4.340 0.000 0.000 0.232 4479 R C 1.935 178.238 176.300 0.005 0.000 1.131 4479 R CA 1.342 57.445 56.100 0.005 0.000 0.955 4479 R CB 0.032 30.334 30.300 0.004 0.000 0.851 4479 R HN 0.355 nan 8.270 nan 0.000 0.432 4480 E N 0.924 121.127 120.200 0.005 0.000 2.076 4480 E HA -0.063 4.287 4.350 0.000 0.000 0.190 4480 E C 1.258 177.862 176.600 0.007 0.000 0.979 4480 E CA 0.514 56.917 56.400 0.006 0.000 0.807 4480 E CB -0.256 29.448 29.700 0.006 0.000 0.761 4480 E HN 0.435 nan 8.360 nan 0.000 0.454 4481 M N -0.095 119.509 119.600 0.007 0.000 2.219 4481 M HA 0.069 4.549 4.480 0.000 0.000 0.307 4481 M C 0.459 176.764 176.300 0.009 0.000 1.116 4481 M CA 0.505 55.810 55.300 0.008 0.000 1.181 4481 M CB 0.546 33.150 32.600 0.007 0.000 1.410 4481 M HN -0.268 nan 8.290 nan 0.000 0.454 4482 S N 2.248 117.953 115.700 0.010 0.000 2.512 4482 S HA 0.467 4.937 4.470 0.000 0.000 0.291 4482 S C -0.757 173.852 174.600 0.015 0.000 1.151 4482 S CA -0.808 57.399 58.200 0.011 0.000 1.120 4482 S CB -0.137 63.069 63.200 0.010 0.000 1.029 4482 S HN 0.530 nan 8.310 nan 0.000 0.485 4483 V N 5.102 125.027 119.914 0.018 0.000 2.607 4483 V HA 0.376 4.496 4.120 0.000 0.000 0.289 4483 V C 0.857 176.971 176.094 0.033 0.000 1.053 4483 V CA -0.309 62.008 62.300 0.028 0.000 0.996 4483 V CB 1.566 33.407 31.823 0.030 0.000 0.995 4483 V HN 0.751 nan 8.190 nan 0.000 0.476 4484 E N 0.946 121.176 120.200 0.049 0.000 2.228 4484 E HA 0.077 4.427 4.350 0.000 0.000 0.197 4484 E C 0.715 177.348 176.600 0.055 0.000 0.909 4484 E CA 0.160 56.586 56.400 0.044 0.000 0.911 4484 E CB -0.047 29.678 29.700 0.043 0.000 0.887 4484 E HN 0.701 nan 8.360 nan 0.000 0.481 4485 H N 2.437 121.507 119.070 0.001 0.000 2.764 4485 H HA 0.050 4.606 4.556 -0.000 0.000 0.341 4485 H C -1.749 173.578 175.328 -0.001 0.000 1.072 4485 H CA -1.490 54.559 56.048 0.001 0.000 1.444 4485 H CB 1.604 31.364 29.762 -0.004 0.000 1.458 4485 H HN -0.209 nan 8.280 nan 0.000 0.572 4486 P HA -0.137 nan 4.420 nan 0.000 0.215 4486 P C 1.043 178.446 177.300 0.172 0.000 1.153 4486 P CA 2.172 65.286 63.100 0.023 0.000 0.853 4486 P CB 0.096 31.743 31.700 -0.089 0.000 0.788 4487 A N -0.126 122.953 122.820 0.433 0.000 1.898 4487 A HA -0.041 4.279 4.320 0.000 0.000 0.216 4487 A C 2.311 179.950 177.584 0.092 0.000 1.181 4487 A CA 1.880 54.042 52.037 0.208 0.000 0.620 4487 A CB -1.552 17.517 19.000 0.114 0.000 0.819 4487 A HN 0.185 nan 8.150 nan 0.000 0.442 4488 A N -0.154 122.725 122.820 0.099 0.000 1.972 4488 A HA -0.129 4.191 4.320 0.000 0.000 0.219 4488 A C 2.053 179.665 177.584 0.046 0.000 1.169 4488 A CA 1.700 53.759 52.037 0.036 0.000 0.635 4488 A CB -0.375 18.641 19.000 0.028 0.000 0.810 4488 A HN 0.540 nan 8.150 nan 0.000 0.446 4489 K N -0.916 119.526 120.400 0.070 0.000 2.211 4489 K HA -0.030 4.290 4.320 0.000 0.000 0.203 4489 K C 1.790 178.410 176.600 0.034 0.000 1.050 4489 K CA 1.106 57.420 56.287 0.044 0.000 0.945 4489 K CB -0.180 32.343 32.500 0.040 0.000 0.732 4489 K HN 0.354 nan 8.250 nan 0.000 0.451 4490 M N 0.231 119.855 119.600 0.039 0.000 2.229 4490 M HA -0.092 4.388 4.480 0.000 0.000 0.264 4490 M C 1.860 178.172 176.300 0.021 0.000 1.063 4490 M CA 1.220 56.537 55.300 0.029 0.000 1.114 4490 M CB -0.655 31.964 32.600 0.031 0.000 1.387 4490 M HN 0.073 nan 8.290 nan 0.000 0.420 4491 L N -0.018 121.215 121.223 0.017 0.000 2.201 4491 L HA -0.061 4.279 4.340 0.000 0.000 0.212 4491 L C 2.254 179.130 176.870 0.010 0.000 1.105 4491 L CA 1.196 56.041 54.840 0.010 0.000 0.775 4491 L CB -0.809 41.251 42.059 0.002 0.000 0.913 4491 L HN 0.214 nan 8.230 nan 0.000 0.440 4492 I N -0.942 119.635 120.570 0.013 0.000 2.226 4492 I HA -0.270 3.900 4.170 0.000 0.000 0.245 4492 I C 2.457 178.581 176.117 0.011 0.000 1.100 4492 I CA 0.997 62.304 61.300 0.011 0.000 1.374 4492 I CB -0.144 37.863 38.000 0.013 0.000 1.057 4492 I HN 0.230 nan 8.210 nan 0.000 0.413 4493 E N 0.866 121.075 120.200 0.014 0.000 2.110 4493 E HA -0.156 4.194 4.350 0.000 0.000 0.193 4493 E C 2.130 178.738 176.600 0.014 0.000 0.988 4493 E CA 1.124 57.532 56.400 0.013 0.000 0.804 4493 E CB -0.087 29.622 29.700 0.015 0.000 0.745 4493 E HN 0.241 nan 8.360 nan 0.000 0.458 4494 V N 0.600 120.523 119.914 0.015 0.000 2.343 4494 V HA -0.268 3.852 4.120 0.000 0.000 0.247 4494 V C 2.320 178.421 176.094 0.012 0.000 1.051 4494 V CA 1.844 64.153 62.300 0.015 0.000 1.036 4494 V CB -0.900 30.932 31.823 0.015 0.000 0.654 4494 V HN 0.443 nan 8.190 nan 0.000 0.451 4495 A N -0.506 122.319 122.820 0.009 0.000 1.930 4495 A HA -0.205 4.115 4.320 0.000 0.000 0.217 4495 A C 2.298 179.887 177.584 0.007 0.000 1.175 4495 A CA 1.758 53.799 52.037 0.007 0.000 0.627 4495 A CB -0.376 18.627 19.000 0.005 0.000 0.815 4495 A HN 0.538 nan 8.150 nan 0.000 0.443 4496 K N -0.576 119.829 120.400 0.008 0.000 2.097 4496 K HA -0.099 4.221 4.320 0.000 0.000 0.205 4496 K C 2.228 178.833 176.600 0.008 0.000 1.050 4496 K CA 1.717 58.008 56.287 0.007 0.000 0.938 4496 K CB -0.308 32.197 32.500 0.008 0.000 0.718 4496 K HN 0.732 nan 8.250 nan 0.000 0.442 4497 T N -1.207 113.353 114.554 0.010 0.000 2.904 4497 T HA -0.139 4.211 4.350 0.000 0.000 0.267 4497 T C 2.000 176.706 174.700 0.011 0.000 1.059 4497 T CA 0.840 62.946 62.100 0.011 0.000 1.137 4497 T CB 0.006 68.882 68.868 0.014 0.000 0.879 4497 T HN 0.012 nan 8.240 nan 0.000 0.467 4498 Q N 1.340 121.146 119.800 0.011 0.000 2.083 4498 Q HA -0.055 4.285 4.340 0.000 0.000 0.198 4498 Q C 2.394 178.399 176.000 0.008 0.000 0.969 4498 Q CA 1.569 57.378 55.803 0.010 0.000 0.838 4498 Q CB -0.415 28.329 28.738 0.009 0.000 0.900 4498 Q HN 0.624 nan 8.270 nan 0.000 0.436 4499 E N 0.544 120.748 120.200 0.007 0.000 2.051 4499 E HA -0.237 4.113 4.350 0.000 0.000 0.192 4499 E C 1.815 178.418 176.600 0.005 0.000 0.991 4499 E CA 1.480 57.884 56.400 0.005 0.000 0.799 4499 E CB -0.137 29.566 29.700 0.004 0.000 0.748 4499 E HN 0.368 nan 8.360 nan 0.000 0.449 4500 K N 0.166 120.569 120.400 0.005 0.000 2.057 4500 K HA -0.203 4.117 4.320 0.000 0.000 0.207 4500 K C 2.181 178.784 176.600 0.005 0.000 1.049 4500 K CA 1.768 58.058 56.287 0.005 0.000 0.931 4500 K CB -0.058 32.445 32.500 0.005 0.000 0.714 4500 K HN -0.066 nan 8.250 nan 0.000 0.440 4501 E N -0.415 119.789 120.200 0.007 0.000 2.086 4501 E HA -0.058 4.292 4.350 0.000 0.000 0.190 4501 E C 1.563 178.168 176.600 0.008 0.000 0.975 4501 E CA 1.109 57.514 56.400 0.008 0.000 0.813 4501 E CB 0.356 30.062 29.700 0.010 0.000 0.768 4501 E HN 0.132 nan 8.360 nan 0.000 0.457 4502 V N -1.592 118.327 119.914 0.008 0.000 2.806 4502 V HA 0.391 4.511 4.120 0.000 0.000 0.239 4502 V C 1.655 177.754 176.094 0.008 0.000 1.113 4502 V CA 0.849 63.154 62.300 0.008 0.000 1.137 4502 V CB 0.396 32.225 31.823 0.010 0.000 0.865 4502 V HN 0.506 nan 8.190 nan 0.000 0.482 4503 G N 0.131 108.935 108.800 0.007 0.000 4.391 4503 G HA2 -0.232 3.728 3.960 0.000 0.000 0.210 4503 G HA3 -0.232 3.728 3.960 0.000 0.000 0.210 4503 G C 0.143 175.047 174.900 0.007 0.000 1.547 4503 G CA 0.279 45.382 45.100 0.006 0.000 1.103 4503 G HN 0.441 nan 8.290 nan 0.000 0.637 4504 D N 1.710 122.115 120.400 0.008 0.000 2.387 4504 D HA 0.481 5.121 4.640 0.000 0.000 0.251 4504 D C 1.418 177.722 176.300 0.007 0.000 1.141 4504 D CA 1.266 55.271 54.000 0.009 0.000 0.987 4504 D CB 0.807 41.614 40.800 0.011 0.000 1.116 4504 D HN 1.722 nan 8.370 nan 0.000 0.491 4505 G N 0.435 109.238 108.800 0.006 0.000 2.143 4505 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 4505 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 4505 G C 1.010 175.911 174.900 0.001 0.000 0.981 4505 G CA 1.205 46.306 45.100 0.003 0.000 0.665 4505 G HN 0.613 nan 8.290 nan 0.000 0.528 4506 T N -3.141 111.414 114.554 0.002 0.000 2.821 4506 T HA -0.042 4.308 4.350 0.000 0.000 0.267 4506 T C 2.206 176.905 174.700 -0.002 0.000 1.046 4506 T CA 2.431 64.532 62.100 0.002 0.000 1.139 4506 T CB -0.410 68.459 68.868 0.002 0.000 0.871 4506 T HN 0.276 nan 8.240 nan 0.000 0.454 4507 T N 1.897 116.448 114.554 -0.005 0.000 2.812 4507 T HA -0.044 4.306 4.350 0.000 0.000 0.264 4507 T C 2.234 176.926 174.700 -0.014 0.000 1.042 4507 T CA 1.640 63.734 62.100 -0.010 0.000 1.140 4507 T CB -0.844 68.017 68.868 -0.012 0.000 0.870 4507 T HN 0.482 nan 8.240 nan 0.000 0.445 4508 T N 2.180 116.726 114.554 -0.013 0.000 2.684 4508 T HA -0.097 4.253 4.350 0.000 0.000 0.267 4508 T C 2.384 177.072 174.700 -0.018 0.000 1.036 4508 T CA 1.310 63.399 62.100 -0.018 0.000 1.148 4508 T CB -0.546 68.314 68.868 -0.014 0.000 0.863 4508 T HN 0.436 nan 8.240 nan 0.000 0.436 4509 A N 0.744 123.559 122.820 -0.009 0.000 1.902 4509 A HA -0.028 4.292 4.320 0.000 0.000 0.217 4509 A C 2.593 180.173 177.584 -0.006 0.000 1.181 4509 A CA 1.360 53.395 52.037 -0.003 0.000 0.623 4509 A CB -0.896 18.107 19.000 0.006 0.000 0.818 4509 A HN 0.365 nan 8.150 nan 0.000 0.443 4510 V N -0.961 118.949 119.914 -0.007 0.000 2.323 4510 V HA -0.176 3.944 4.120 0.000 0.000 0.244 4510 V C 2.468 178.552 176.094 -0.017 0.000 1.041 4510 V CA 1.790 64.085 62.300 -0.008 0.000 1.025 4510 V CB -0.636 31.183 31.823 -0.007 0.000 0.656 4510 V HN 0.375 nan 8.190 nan 0.000 0.451 4511 V N -0.376 119.524 119.914 -0.023 0.000 2.515 4511 V HA -0.168 3.952 4.120 0.000 0.000 0.250 4511 V C 2.321 178.390 176.094 -0.042 0.000 1.058 4511 V CA 1.932 64.213 62.300 -0.031 0.000 1.064 4511 V CB 0.318 32.121 31.823 -0.033 0.000 0.675 4511 V HN 0.386 nan 8.190 nan 0.000 0.461 4512 V N 0.340 120.225 119.914 -0.048 0.000 2.358 4512 V HA -0.152 3.968 4.120 0.000 0.000 0.246 4512 V C 2.770 178.827 176.094 -0.061 0.000 1.047 4512 V CA 1.889 64.143 62.300 -0.076 0.000 1.035 4512 V CB -1.067 30.703 31.823 -0.088 0.000 0.658 4512 V HN 0.617 nan 8.190 nan 0.000 0.452 4513 A N 0.496 123.300 122.820 -0.027 0.000 1.933 4513 A HA -0.097 4.223 4.320 0.000 0.000 0.218 4513 A C 2.374 179.954 177.584 -0.006 0.000 1.175 4513 A CA 1.997 54.033 52.037 -0.001 0.000 0.628 4513 A CB -1.082 17.923 19.000 0.008 0.000 0.814 4513 A HN 0.530 nan 8.150 nan 0.000 0.444 4514 G N -0.820 107.968 108.800 -0.020 0.000 2.394 4514 G HA2 -0.132 3.828 3.960 0.000 0.000 0.215 4514 G HA3 -0.132 3.828 3.960 0.000 0.000 0.215 4514 G C 1.463 176.348 174.900 -0.026 0.000 1.165 4514 G CA 1.140 46.224 45.100 -0.026 0.000 0.784 4514 G HN 0.532 nan 8.290 nan 0.000 0.535 4515 E N 0.329 120.511 120.200 -0.030 0.000 2.106 4515 E HA 0.035 4.385 4.350 0.000 0.000 0.192 4515 E C 2.498 179.095 176.600 -0.005 0.000 0.984 4515 E CA 0.473 56.855 56.400 -0.031 0.000 0.806 4515 E CB -0.330 29.337 29.700 -0.054 0.000 0.750 4515 E HN 0.426 nan 8.360 nan 0.000 0.458 4516 L N -0.329 120.900 121.223 0.009 0.000 2.046 4516 L HA -0.176 4.164 4.340 0.000 0.000 0.208 4516 L C 2.129 179.073 176.870 0.122 0.000 1.077 4516 L CA 0.526 55.446 54.840 0.133 0.000 0.747 4516 L CB -0.383 41.771 42.059 0.159 0.000 0.896 4516 L HN 0.229 nan 8.230 nan 0.000 0.432 4517 L N -0.245 120.991 121.223 0.022 0.000 2.083 4517 L HA -0.191 4.149 4.340 0.000 0.000 0.209 4517 L C 2.703 179.557 176.870 -0.027 0.000 1.083 4517 L CA 1.601 56.422 54.840 -0.033 0.000 0.752 4517 L CB -0.802 41.230 42.059 -0.044 0.000 0.899 4517 L HN 0.183 nan 8.230 nan 0.000 0.433 4518 R N -0.651 119.843 120.500 -0.011 0.000 2.073 4518 R HA -0.140 4.200 4.340 0.000 0.000 0.234 4518 R C 2.103 178.408 176.300 0.007 0.000 1.134 4518 R CA 1.151 57.243 56.100 -0.014 0.000 0.952 4518 R CB 0.053 30.342 30.300 -0.018 0.000 0.850 4518 R HN 0.132 nan 8.270 nan 0.000 0.433 4519 K N 0.110 120.536 120.400 0.044 0.000 2.155 4519 K HA 0.010 4.330 4.320 0.000 0.000 0.203 4519 K C 1.907 178.574 176.600 0.112 0.000 1.052 4519 K CA 1.090 57.425 56.287 0.080 0.000 0.948 4519 K CB -0.129 32.435 32.500 0.106 0.000 0.728 4519 K HN 0.258 nan 8.250 nan 0.000 0.448 4520 A N 1.585 124.467 122.820 0.102 0.000 1.930 4520 A HA -0.162 4.158 4.320 0.000 0.000 0.217 4520 A C 2.154 179.719 177.584 -0.033 0.000 1.175 4520 A CA 1.324 53.358 52.037 -0.006 0.000 0.627 4520 A CB -0.236 18.624 19.000 -0.234 0.000 0.815 4520 A HN 0.219 nan 8.150 nan 0.000 0.443 4521 E N -0.113 120.067 120.200 -0.033 0.000 2.106 4521 E HA -0.208 4.142 4.350 0.000 0.000 0.192 4521 E C 1.940 178.527 176.600 -0.021 0.000 0.984 4521 E CA 1.483 57.860 56.400 -0.040 0.000 0.806 4521 E CB -0.100 29.571 29.700 -0.048 0.000 0.750 4521 E HN 0.625 nan 8.360 nan 0.000 0.458 4522 E N 0.491 120.689 120.200 -0.004 0.000 2.153 4522 E HA -0.157 4.193 4.350 0.000 0.000 0.194 4522 E C 2.047 178.655 176.600 0.013 0.000 0.988 4522 E CA 0.597 57.000 56.400 0.004 0.000 0.811 4522 E CB -0.327 29.381 29.700 0.012 0.000 0.746 4522 E HN 0.182 nan 8.360 nan 0.000 0.466 4523 L N -0.131 121.108 121.223 0.027 0.000 2.109 4523 L HA 0.012 4.352 4.340 0.000 0.000 0.207 4523 L C 2.010 178.888 176.870 0.013 0.000 1.086 4523 L CA 1.421 56.283 54.840 0.038 0.000 0.760 4523 L CB -0.318 41.790 42.059 0.082 0.000 0.910 4523 L HN 0.239 nan 8.230 nan 0.000 0.437 4524 L N -0.730 120.487 121.223 -0.010 0.000 2.141 4524 L HA -0.188 4.152 4.340 0.000 0.000 0.209 4524 L C 2.148 179.004 176.870 -0.023 0.000 1.094 4524 L CA 1.427 56.249 54.840 -0.030 0.000 0.763 4524 L CB -0.600 41.427 42.059 -0.053 0.000 0.908 4524 L HN 0.318 nan 8.230 nan 0.000 0.437 4525 D N -0.573 119.817 120.400 -0.017 0.000 2.178 4525 D HA -0.187 4.453 4.640 0.000 0.000 0.202 4525 D C 2.078 178.375 176.300 -0.005 0.000 0.974 4525 D CA 0.858 54.850 54.000 -0.013 0.000 0.841 4525 D CB 0.192 40.984 40.800 -0.013 0.000 0.953 4525 D HN 0.144 nan 8.370 nan 0.000 0.478 4526 Q N 0.189 119.990 119.800 0.002 0.000 2.482 4526 Q HA 0.024 4.364 4.340 0.000 0.000 0.209 4526 Q C -0.033 175.973 176.000 0.010 0.000 0.961 4526 Q CA 0.272 56.080 55.803 0.008 0.000 0.945 4526 Q CB -0.062 28.685 28.738 0.014 0.000 1.012 4526 Q HN 0.360 nan 8.270 nan 0.000 0.515 4527 N N -0.257 118.446 118.700 0.005 0.000 2.780 4527 N HA -0.127 4.613 4.740 0.000 0.000 0.247 4527 N C -1.185 174.339 175.510 0.024 0.000 1.076 4527 N CA 0.351 53.406 53.050 0.008 0.000 0.688 4527 N CB -1.629 36.867 38.487 0.014 0.000 0.957 4527 N HN -0.015 nan 8.380 nan 0.000 0.551 4528 V N 1.661 121.588 119.914 0.021 0.000 2.350 4528 V HA 0.129 4.249 4.120 0.000 0.000 0.276 4528 V C 0.982 177.100 176.094 0.041 0.000 1.028 4528 V CA -0.732 61.594 62.300 0.044 0.000 0.860 4528 V CB 1.438 33.289 31.823 0.046 0.000 0.990 4528 V HN 0.324 nan 8.190 nan 0.000 0.453 4529 H N 8.022 127.095 119.070 0.005 0.000 3.001 4529 H HA 0.037 4.593 4.556 0.000 0.000 0.334 4529 H C -1.698 173.629 175.328 -0.002 0.000 1.034 4529 H CA -1.055 54.994 56.048 0.002 0.000 1.420 4529 H CB 1.686 31.450 29.762 0.002 0.000 1.405 4529 H HN 0.376 nan 8.280 nan 0.000 0.593 4530 P HA -0.173 nan 4.420 nan 0.000 0.218 4530 P C 1.501 178.855 177.300 0.091 0.000 1.146 4530 P CA 1.697 64.738 63.100 -0.099 0.000 0.820 4530 P CB 0.033 31.618 31.700 -0.191 0.000 0.778 4531 T N -1.875 112.900 114.554 0.369 0.000 2.929 4531 T HA -0.097 4.253 4.350 0.000 0.000 0.271 4531 T C 1.505 176.274 174.700 0.116 0.000 1.085 4531 T CA 0.844 63.075 62.100 0.218 0.000 1.125 4531 T CB -0.473 68.483 68.868 0.145 0.000 0.874 4531 T HN -0.147 nan 8.240 nan 0.000 0.494 4532 I N 0.119 120.763 120.570 0.124 0.000 2.385 4532 I HA 0.072 4.242 4.170 0.000 0.000 0.244 4532 I C 2.561 178.730 176.117 0.086 0.000 1.089 4532 I CA 0.651 62.001 61.300 0.083 0.000 1.410 4532 I CB -1.528 36.521 38.000 0.082 0.000 1.117 4532 I HN 0.112 nan 8.210 nan 0.000 0.429 4533 V N 1.081 121.039 119.914 0.074 0.000 2.469 4533 V HA -0.216 3.904 4.120 0.000 0.000 0.251 4533 V C 2.548 178.675 176.094 0.056 0.000 1.064 4533 V CA 1.588 63.932 62.300 0.074 0.000 1.066 4533 V CB -0.086 31.698 31.823 -0.066 0.000 0.667 4533 V HN 0.184 nan 8.190 nan 0.000 0.461 4534 V N -0.082 119.845 119.914 0.022 0.000 2.427 4534 V HA -0.234 3.886 4.120 0.000 0.000 0.248 4534 V C 2.391 178.530 176.094 0.076 0.000 1.051 4534 V CA 2.490 64.806 62.300 0.028 0.000 1.048 4534 V CB -0.680 31.154 31.823 0.018 0.000 0.666 4534 V HN 0.608 nan 8.190 nan 0.000 0.456 4535 K N 0.206 120.648 120.400 0.070 0.000 2.021 4535 K HA -0.068 4.252 4.320 0.000 0.000 0.205 4535 K C 2.191 178.818 176.600 0.044 0.000 1.047 4535 K CA 1.425 57.739 56.287 0.046 0.000 0.943 4535 K CB -0.538 31.978 32.500 0.027 0.000 0.725 4535 K HN 0.439 nan 8.250 nan 0.000 0.439 4536 G N -0.207 108.639 108.800 0.075 0.000 2.408 4536 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 4536 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 4536 G C 1.147 176.038 174.900 -0.015 0.000 1.150 4536 G CA 0.669 45.781 45.100 0.019 0.000 0.776 4536 G HN 0.285 nan 8.290 nan 0.000 0.542 4537 Y N 0.410 120.679 120.300 -0.051 0.000 2.293 4537 Y HA -0.078 4.472 4.550 0.000 0.000 0.291 4537 Y C 2.981 178.779 175.900 -0.170 0.000 1.137 4537 Y CA 1.369 59.434 58.100 -0.058 0.000 1.202 4537 Y CB -0.096 38.427 38.460 0.105 0.000 0.990 4537 Y HN 0.195 nan 8.280 nan 0.000 0.537 4538 Q N 0.368 120.204 119.800 0.060 0.000 2.049 4538 Q HA -0.140 4.200 4.340 0.000 0.000 0.198 4538 Q C 2.397 178.352 176.000 -0.075 0.000 0.971 4538 Q CA 1.494 57.299 55.803 0.003 0.000 0.833 4538 Q CB -0.315 28.439 28.738 0.027 0.000 0.896 4538 Q HN 0.444 nan 8.270 nan 0.000 0.434 4539 A N 0.921 123.691 122.820 -0.082 0.000 1.877 4539 A HA -0.086 4.235 4.320 0.000 0.000 0.216 4539 A C 2.326 179.879 177.584 -0.051 0.000 1.186 4539 A CA 2.173 54.181 52.037 -0.048 0.000 0.620 4539 A CB -0.916 18.030 19.000 -0.090 0.000 0.822 4539 A HN 0.495 nan 8.150 nan 0.000 0.443 4540 A N -0.353 122.286 122.820 -0.302 0.000 1.930 4540 A HA 0.222 4.542 4.320 0.000 0.000 0.217 4540 A C 2.479 179.596 177.584 -0.778 0.000 1.175 4540 A CA 1.940 53.657 52.037 -0.533 0.000 0.627 4540 A CB -0.916 17.510 19.000 -0.956 0.000 0.815 4540 A HN 1.018 nan 8.150 nan 0.000 0.443 4541 A N -0.784 121.512 122.820 -0.875 0.000 1.898 4541 A HA -0.195 4.125 4.320 0.000 0.000 0.216 4541 A C 2.187 179.706 177.584 -0.107 0.000 1.181 4541 A CA 1.738 53.562 52.037 -0.355 0.000 0.620 4541 A CB -0.558 18.384 19.000 -0.096 0.000 0.819 4541 A HN 0.642 nan 8.150 nan 0.000 0.442 4542 Q N -0.701 119.042 119.800 -0.095 0.000 2.119 4542 Q HA -0.224 4.116 4.340 0.000 0.000 0.201 4542 Q C 2.017 177.989 176.000 -0.047 0.000 0.972 4542 Q CA 1.901 57.682 55.803 -0.037 0.000 0.847 4542 Q CB -0.063 28.667 28.738 -0.015 0.000 0.903 4542 Q HN 0.453 nan 8.270 nan 0.000 0.433 4543 K N 0.273 120.629 120.400 -0.073 0.000 2.103 4543 K HA 0.001 4.321 4.320 0.000 0.000 0.204 4543 K C 1.699 178.248 176.600 -0.086 0.000 1.052 4543 K CA 1.302 57.506 56.287 -0.140 0.000 0.945 4543 K CB -0.474 31.854 32.500 -0.287 0.000 0.722 4543 K HN 0.266 nan 8.250 nan 0.000 0.443 4544 A N 0.698 123.499 122.820 -0.033 0.000 1.933 4544 A HA -0.227 4.093 4.320 0.000 0.000 0.218 4544 A C 2.205 179.813 177.584 0.039 0.000 1.175 4544 A CA 1.835 53.904 52.037 0.053 0.000 0.628 4544 A CB -0.638 18.481 19.000 0.199 0.000 0.814 4544 A HN 0.580 nan 8.150 nan 0.000 0.444 4545 Q N -0.346 119.470 119.800 0.025 0.000 2.084 4545 Q HA -0.222 4.118 4.340 0.000 0.000 0.202 4545 Q C 1.899 177.899 176.000 0.001 0.000 0.978 4545 Q CA 1.824 57.639 55.803 0.020 0.000 0.844 4545 Q CB -0.158 28.590 28.738 0.017 0.000 0.898 4545 Q HN 0.788 nan 8.270 nan 0.000 0.426 4546 E N 0.226 120.414 120.200 -0.020 0.000 2.110 4546 E HA -0.168 4.182 4.350 0.000 0.000 0.193 4546 E C 2.145 178.728 176.600 -0.028 0.000 0.988 4546 E CA 1.040 57.421 56.400 -0.031 0.000 0.804 4546 E CB -0.043 29.623 29.700 -0.058 0.000 0.745 4546 E HN 0.393 nan 8.360 nan 0.000 0.458 4547 L N 0.616 121.821 121.223 -0.030 0.000 2.056 4547 L HA -0.188 4.152 4.340 0.000 0.000 0.207 4547 L C 2.434 179.307 176.870 0.004 0.000 1.078 4547 L CA 0.837 55.667 54.840 -0.017 0.000 0.749 4547 L CB -0.346 41.704 42.059 -0.015 0.000 0.901 4547 L HN 0.174 nan 8.230 nan 0.000 0.433 4548 L N -0.377 120.852 121.223 0.011 0.000 2.046 4548 L HA -0.211 4.129 4.340 0.000 0.000 0.208 4548 L C 2.590 179.468 176.870 0.012 0.000 1.077 4548 L CA 1.386 56.236 54.840 0.016 0.000 0.747 4548 L CB -0.432 41.639 42.059 0.021 0.000 0.896 4548 L HN 0.211 nan 8.230 nan 0.000 0.432 4549 K N -0.810 119.594 120.400 0.006 0.000 2.217 4549 K HA -0.080 4.240 4.320 0.000 0.000 0.202 4549 K C 2.057 178.658 176.600 0.001 0.000 1.051 4549 K CA 1.436 57.725 56.287 0.004 0.000 0.952 4549 K CB -0.137 32.362 32.500 -0.000 0.000 0.736 4549 K HN 0.275 nan 8.250 nan 0.000 0.453 4550 T N 2.059 116.612 114.554 -0.002 0.000 2.737 4550 T HA -0.077 4.273 4.350 0.000 0.000 0.265 4550 T C 1.898 176.601 174.700 0.005 0.000 1.038 4550 T CA 1.315 63.413 62.100 -0.003 0.000 1.144 4550 T CB -0.147 68.715 68.868 -0.010 0.000 0.866 4550 T HN 0.376 nan 8.240 nan 0.000 0.434 4551 I N -0.028 120.550 120.570 0.014 0.000 3.251 4551 I HA 0.395 4.565 4.170 0.000 0.000 0.277 4551 I C 1.113 177.241 176.117 0.018 0.000 1.268 4551 I CA -0.447 60.866 61.300 0.022 0.000 1.449 4551 I CB -0.556 37.469 38.000 0.042 0.000 1.083 4551 I HN -0.041 nan 8.210 nan 0.000 0.464 4552 A N 1.574 124.403 122.820 0.014 0.000 2.566 4552 A HA 0.124 4.444 4.320 0.000 0.000 0.245 4552 A C 0.111 177.701 177.584 0.010 0.000 1.056 4552 A CA -0.005 52.039 52.037 0.013 0.000 0.757 4552 A CB -0.299 18.707 19.000 0.010 0.000 0.979 4552 A HN 0.639 nan 8.150 nan 0.000 0.508 4553 C N 3.471 122.777 119.300 0.011 0.000 2.295 4553 C HA 0.482 4.942 4.460 0.000 0.000 0.331 4553 C C 0.523 175.517 174.990 0.007 0.000 1.280 4553 C CA -0.652 58.371 59.018 0.008 0.000 1.746 4553 C CB -0.294 27.451 27.740 0.009 0.000 2.328 4553 C HN 0.945 nan 8.230 nan 0.000 0.521 4554 E N 3.806 124.009 120.200 0.005 0.000 2.366 4554 E HA 0.424 4.774 4.350 0.000 0.000 0.266 4554 E C -0.258 176.345 176.600 0.004 0.000 1.015 4554 E CA -0.025 56.377 56.400 0.004 0.000 0.906 4554 E CB 0.728 30.430 29.700 0.003 0.000 0.979 4554 E HN 0.716 nan 8.360 nan 0.000 0.443 4555 V N 1.049 120.966 119.914 0.005 0.000 3.102 4555 V HA 0.718 4.838 4.120 0.000 0.000 0.312 4555 V C 0.364 176.460 176.094 0.004 0.000 1.135 4555 V CA -0.686 61.616 62.300 0.004 0.000 1.022 4555 V CB 1.505 33.331 31.823 0.005 0.000 1.056 4555 V HN 0.702 nan 8.190 nan 0.000 0.436 4556 G N 0.526 109.328 108.800 0.003 0.000 2.313 4556 G HA2 0.460 4.420 3.960 0.000 0.000 0.250 4556 G HA3 0.460 4.420 3.960 0.000 0.000 0.250 4556 G C 0.989 175.891 174.900 0.004 0.000 1.281 4556 G CA 0.222 45.324 45.100 0.003 0.000 0.917 4556 G HN 1.661 nan 8.290 nan 0.000 0.501 4557 A N 2.538 125.360 122.820 0.004 0.000 1.908 4557 A HA -0.092 4.228 4.320 0.000 0.000 0.218 4557 A C 2.056 179.643 177.584 0.004 0.000 1.181 4557 A CA 1.297 53.336 52.037 0.004 0.000 0.627 4557 A CB -0.068 18.935 19.000 0.004 0.000 0.818 4557 A HN 0.568 nan 8.150 nan 0.000 0.445 4558 Q N -0.315 119.488 119.800 0.004 0.000 2.198 4558 Q HA 0.058 4.398 4.340 0.000 0.000 0.209 4558 Q C -0.734 175.269 176.000 0.004 0.000 0.848 4558 Q CA -0.112 55.694 55.803 0.004 0.000 0.974 4558 Q CB 0.079 28.820 28.738 0.005 0.000 1.115 4558 Q HN 0.745 nan 8.270 nan 0.000 0.494 4559 D N 1.144 121.546 120.400 0.004 0.000 2.389 4559 D HA -0.050 4.590 4.640 0.000 0.000 0.263 4559 D C 1.226 177.528 176.300 0.003 0.000 1.255 4559 D CA 0.144 54.146 54.000 0.003 0.000 0.914 4559 D CB 0.874 41.676 40.800 0.003 0.000 1.116 4559 D HN -0.227 nan 8.370 nan 0.000 0.502 4560 K N 3.628 124.030 120.400 0.003 0.000 2.015 4560 K HA -0.300 4.020 4.320 0.000 0.000 0.220 4560 K C 1.582 178.184 176.600 0.002 0.000 1.055 4560 K CA 2.239 58.528 56.287 0.003 0.000 0.951 4560 K CB -0.299 32.202 32.500 0.002 0.000 0.725 4560 K HN 0.682 nan 8.250 nan 0.000 0.449 4561 E N -0.544 119.656 120.200 0.001 0.000 2.048 4561 E HA -0.243 4.107 4.350 0.000 0.000 0.202 4561 E C 2.029 178.629 176.600 0.001 0.000 1.021 4561 E CA 1.899 58.298 56.400 -0.001 0.000 0.825 4561 E CB -0.325 29.374 29.700 -0.001 0.000 0.756 4561 E HN 0.353 nan 8.360 nan 0.000 0.454 4562 I N 0.359 120.930 120.570 0.002 0.000 2.493 4562 I HA -0.183 3.987 4.170 0.000 0.000 0.254 4562 I C 1.860 177.981 176.117 0.006 0.000 1.160 4562 I CA 0.712 62.014 61.300 0.004 0.000 1.445 4562 I CB 0.002 38.005 38.000 0.005 0.000 1.086 4562 I HN 0.199 nan 8.210 nan 0.000 0.433 4563 L N -0.102 121.124 121.223 0.005 0.000 2.156 4563 L HA -0.094 4.246 4.340 0.000 0.000 0.208 4563 L C 2.632 179.506 176.870 0.006 0.000 1.095 4563 L CA 2.124 56.968 54.840 0.006 0.000 0.770 4563 L CB -1.437 40.626 42.059 0.006 0.000 0.914 4563 L HN 0.448 nan 8.230 nan 0.000 0.439 4564 T N -4.397 110.159 114.554 0.004 0.000 2.942 4564 T HA -0.108 4.242 4.350 0.000 0.000 0.265 4564 T C 1.893 176.595 174.700 0.003 0.000 1.062 4564 T CA 0.623 62.725 62.100 0.003 0.000 1.139 4564 T CB -0.146 68.722 68.868 -0.000 0.000 0.883 4564 T HN 0.185 nan 8.240 nan 0.000 0.468 4565 K N 0.757 121.159 120.400 0.003 0.000 2.097 4565 K HA 0.162 4.482 4.320 0.000 0.000 0.205 4565 K C 2.158 178.766 176.600 0.014 0.000 1.050 4565 K CA 1.109 57.399 56.287 0.005 0.000 0.938 4565 K CB -0.335 32.168 32.500 0.004 0.000 0.718 4565 K HN 0.373 nan 8.250 nan 0.000 0.442 4566 I N 1.031 121.610 120.570 0.014 0.000 2.163 4566 I HA -0.279 3.891 4.170 0.000 0.000 0.240 4566 I C 2.530 178.658 176.117 0.020 0.000 1.081 4566 I CA 1.142 62.453 61.300 0.018 0.000 1.353 4566 I CB -0.392 37.616 38.000 0.014 0.000 1.054 4566 I HN 0.132 nan 8.210 nan 0.000 0.407 4567 A N 0.651 123.480 122.820 0.016 0.000 1.883 4567 A HA -0.250 4.070 4.320 0.000 0.000 0.217 4567 A C 2.380 179.976 177.584 0.021 0.000 1.186 4567 A CA 1.860 53.907 52.037 0.016 0.000 0.624 4567 A CB -0.635 18.372 19.000 0.012 0.000 0.822 4567 A HN 0.340 nan 8.150 nan 0.000 0.444 4568 M N -0.306 119.306 119.600 0.019 0.000 2.086 4568 M HA -0.136 4.344 4.480 0.000 0.000 0.261 4568 M C 2.449 178.778 176.300 0.048 0.000 1.067 4568 M CA 2.092 57.406 55.300 0.023 0.000 1.116 4568 M CB -0.778 31.824 32.600 0.004 0.000 1.348 4568 M HN 0.711 nan 8.290 nan 0.000 0.407 4569 T N -2.694 111.891 114.554 0.052 0.000 2.915 4569 T HA -0.087 4.263 4.350 0.000 0.000 0.269 4569 T C 1.869 176.609 174.700 0.066 0.000 1.071 4569 T CA 1.547 63.694 62.100 0.080 0.000 1.132 4569 T CB -0.448 68.462 68.868 0.069 0.000 0.878 4569 T HN 0.317 nan 8.240 nan 0.000 0.479 4570 S N 1.108 116.835 115.700 0.045 0.000 2.355 4570 S HA 0.014 4.484 4.470 0.000 0.000 0.222 4570 S C 2.007 176.629 174.600 0.038 0.000 1.031 4570 S CA 0.873 59.094 58.200 0.035 0.000 0.993 4570 S CB -0.618 62.597 63.200 0.025 0.000 0.859 4570 S HN 0.598 nan 8.310 nan 0.000 0.453 4571 I N 1.759 122.354 120.570 0.042 0.000 2.361 4571 I HA -0.087 4.083 4.170 0.000 0.000 0.251 4571 I C 1.306 177.458 176.117 0.060 0.000 1.133 4571 I CA 0.874 62.201 61.300 0.044 0.000 1.413 4571 I CB -0.894 37.130 38.000 0.040 0.000 1.073 4571 I HN 0.444 nan 8.210 nan 0.000 0.424 4572 T N -0.622 113.986 114.554 0.089 0.000 2.903 4572 T HA 0.310 4.660 4.350 0.000 0.000 0.314 4572 T C 1.179 175.912 174.700 0.055 0.000 1.078 4572 T CA 0.103 62.278 62.100 0.124 0.000 1.114 4572 T CB 1.250 70.265 68.868 0.244 0.000 0.987 4572 T HN 0.595 nan 8.240 nan 0.000 0.548 4573 G N 1.297 110.112 108.800 0.026 0.000 2.159 4573 G HA2 -0.205 3.755 3.960 0.000 0.000 0.256 4573 G HA3 -0.205 3.755 3.960 0.000 0.000 0.256 4573 G C -0.077 174.824 174.900 0.002 0.000 0.977 4573 G CA 0.412 45.503 45.100 -0.015 0.000 0.652 4573 G HN 0.946 nan 8.290 nan 0.000 0.531 4574 K N -0.991 119.422 120.400 0.021 0.000 2.395 4574 K HA 0.596 4.916 4.320 0.000 0.000 0.247 4574 K C 1.481 178.099 176.600 0.029 0.000 0.973 4574 K CA -0.608 55.692 56.287 0.022 0.000 0.828 4574 K CB 1.488 34.003 32.500 0.025 0.000 1.272 4574 K HN 0.188 nan 8.250 nan 0.000 0.439 4575 G N 0.623 109.439 108.800 0.027 0.000 2.462 4575 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 4575 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 4575 G C 1.198 176.118 174.900 0.034 0.000 1.121 4575 G CA 1.221 46.339 45.100 0.030 0.000 0.758 4575 G HN 0.624 nan 8.290 nan 0.000 0.559 4576 A N 1.296 124.137 122.820 0.034 0.000 2.168 4576 A HA 0.101 4.421 4.320 0.000 0.000 0.215 4576 A C 2.105 179.713 177.584 0.039 0.000 1.152 4576 A CA 1.483 53.540 52.037 0.033 0.000 0.716 4576 A CB -0.348 18.669 19.000 0.029 0.000 0.794 4576 A HN 0.649 nan 8.150 nan 0.000 0.465 4577 E N 1.497 121.727 120.200 0.051 0.000 2.267 4577 E HA -0.302 4.048 4.350 0.000 0.000 0.197 4577 E C 1.633 178.268 176.600 0.058 0.000 0.998 4577 E CA 1.397 57.839 56.400 0.069 0.000 0.830 4577 E CB -0.563 29.203 29.700 0.111 0.000 0.751 4577 E HN 0.782 nan 8.360 nan 0.000 0.491 4578 K N 0.927 121.356 120.400 0.048 0.000 2.218 4578 K HA -0.108 4.212 4.320 0.000 0.000 0.205 4578 K C 1.315 177.929 176.600 0.024 0.000 1.046 4578 K CA 1.580 57.889 56.287 0.037 0.000 0.933 4578 K CB -0.071 32.449 32.500 0.032 0.000 0.728 4578 K HN 0.164 nan 8.250 nan 0.000 0.454 4579 A N 1.696 124.530 122.820 0.023 0.000 2.674 4579 A HA 0.167 4.487 4.320 0.000 0.000 0.286 4579 A C 1.096 178.689 177.584 0.014 0.000 0.980 4579 A CA -0.677 51.369 52.037 0.015 0.000 1.028 4579 A CB 0.067 19.076 19.000 0.015 0.000 1.199 4579 A HN 0.408 nan 8.150 nan 0.000 0.499 4580 K N -0.129 120.281 120.400 0.016 0.000 2.280 4580 K HA -0.151 4.169 4.320 0.000 0.000 0.202 4580 K C 0.814 177.417 176.600 0.006 0.000 1.047 4580 K CA 1.809 58.106 56.287 0.016 0.000 0.942 4580 K CB -0.027 32.487 32.500 0.025 0.000 0.739 4580 K HN 0.311 nan 8.250 nan 0.000 0.457 4581 E N 1.549 121.748 120.200 -0.003 0.000 2.072 4581 E HA -0.136 4.214 4.350 0.000 0.000 0.190 4581 E C 1.887 178.486 176.600 -0.002 0.000 0.982 4581 E CA 1.237 57.632 56.400 -0.008 0.000 0.803 4581 E CB -0.037 29.653 29.700 -0.015 0.000 0.755 4581 E HN 0.251 nan 8.360 nan 0.000 0.453 4582 K N 0.651 121.053 120.400 0.002 0.000 2.097 4582 K HA -0.030 4.290 4.320 0.000 0.000 0.205 4582 K C 1.764 178.369 176.600 0.008 0.000 1.050 4582 K CA 0.934 57.224 56.287 0.005 0.000 0.938 4582 K CB -0.211 32.293 32.500 0.007 0.000 0.718 4582 K HN 0.084 nan 8.250 nan 0.000 0.442 4583 L N -0.167 121.062 121.223 0.010 0.000 2.056 4583 L HA -0.088 4.252 4.340 0.000 0.000 0.207 4583 L C 2.450 179.327 176.870 0.010 0.000 1.078 4583 L CA 1.203 56.050 54.840 0.012 0.000 0.749 4583 L CB -0.635 41.433 42.059 0.015 0.000 0.901 4583 L HN 0.254 nan 8.230 nan 0.000 0.433 4584 A N -0.156 122.669 122.820 0.009 0.000 1.933 4584 A HA -0.264 4.056 4.320 0.000 0.000 0.218 4584 A C 2.258 179.846 177.584 0.006 0.000 1.175 4584 A CA 1.887 53.928 52.037 0.008 0.000 0.628 4584 A CB -0.501 18.502 19.000 0.005 0.000 0.814 4584 A HN 0.494 nan 8.150 nan 0.000 0.444 4585 E N 0.320 120.523 120.200 0.005 0.000 2.031 4585 E HA -0.203 4.147 4.350 0.000 0.000 0.193 4585 E C 1.936 178.541 176.600 0.007 0.000 0.994 4585 E CA 1.762 58.165 56.400 0.005 0.000 0.800 4585 E CB -0.334 29.369 29.700 0.004 0.000 0.752 4585 E HN 0.773 nan 8.360 nan 0.000 0.447 4586 I N -1.661 118.914 120.570 0.009 0.000 2.676 4586 I HA -0.065 4.105 4.170 0.000 0.000 0.259 4586 I C 1.896 178.020 176.117 0.011 0.000 1.194 4586 I CA 0.510 61.817 61.300 0.011 0.000 1.473 4586 I CB -0.059 37.950 38.000 0.015 0.000 1.096 4586 I HN 0.044 nan 8.210 nan 0.000 0.443 4587 I N 0.838 121.413 120.570 0.010 0.000 2.406 4587 I HA -0.102 4.068 4.170 0.000 0.000 0.249 4587 I C 2.374 178.496 176.117 0.008 0.000 1.122 4587 I CA 1.053 62.358 61.300 0.009 0.000 1.431 4587 I CB -0.146 37.860 38.000 0.009 0.000 1.087 4587 I HN 0.042 nan 8.210 nan 0.000 0.424 4588 V N 0.184 120.102 119.914 0.008 0.000 2.453 4588 V HA -0.157 3.963 4.120 0.000 0.000 0.247 4588 V C 2.388 178.486 176.094 0.007 0.000 1.048 4588 V CA 1.359 63.664 62.300 0.007 0.000 1.049 4588 V CB -0.582 31.245 31.823 0.006 0.000 0.672 4588 V HN 0.359 nan 8.190 nan 0.000 0.457 4589 E N 0.526 120.731 120.200 0.008 0.000 2.106 4589 E HA -0.139 4.211 4.350 0.000 0.000 0.192 4589 E C 2.370 178.976 176.600 0.010 0.000 0.984 4589 E CA 1.372 57.778 56.400 0.009 0.000 0.806 4589 E CB -0.408 29.297 29.700 0.010 0.000 0.750 4589 E HN 0.559 nan 8.360 nan 0.000 0.458 4590 A N 1.088 123.913 122.820 0.009 0.000 1.902 4590 A HA -0.145 4.175 4.320 0.000 0.000 0.217 4590 A C 2.614 180.202 177.584 0.006 0.000 1.181 4590 A CA 1.506 53.548 52.037 0.008 0.000 0.623 4590 A CB -0.659 18.345 19.000 0.007 0.000 0.818 4590 A HN 0.131 nan 8.150 nan 0.000 0.443 4591 V N -0.338 119.580 119.914 0.006 0.000 2.307 4591 V HA -0.193 3.927 4.120 0.000 0.000 0.245 4591 V C 2.759 178.857 176.094 0.007 0.000 1.045 4591 V CA 2.283 64.586 62.300 0.006 0.000 1.024 4591 V CB -0.841 30.985 31.823 0.006 0.000 0.651 4591 V HN 0.545 nan 8.190 nan 0.000 0.449 4592 S N 0.183 115.888 115.700 0.008 0.000 2.399 4592 S HA -0.165 4.305 4.470 0.000 0.000 0.231 4592 S C 2.166 176.773 174.600 0.012 0.000 1.022 4592 S CA 1.353 59.558 58.200 0.009 0.000 0.983 4592 S CB -0.440 62.766 63.200 0.009 0.000 0.803 4592 S HN 0.646 nan 8.310 nan 0.000 0.480 4593 A N 1.172 123.999 122.820 0.012 0.000 1.873 4593 A HA -0.043 4.277 4.320 0.000 0.000 0.215 4593 A C 2.377 179.971 177.584 0.017 0.000 1.186 4593 A CA 1.758 53.804 52.037 0.016 0.000 0.616 4593 A CB -0.733 18.275 19.000 0.014 0.000 0.823 4593 A HN 0.561 nan 8.150 nan 0.000 0.442 4594 V N -3.411 116.510 119.914 0.011 0.000 3.174 4594 V HA 0.051 4.171 4.120 0.000 0.000 0.254 4594 V C 2.048 178.146 176.094 0.008 0.000 1.120 4594 V CA 1.218 63.523 62.300 0.009 0.000 1.114 4594 V CB -0.398 31.427 31.823 0.004 0.000 0.756 4594 V HN 0.192 nan 8.190 nan 0.000 0.467 4595 V N 0.733 120.651 119.914 0.007 0.000 2.626 4595 V HA -0.124 3.996 4.120 0.000 0.000 0.252 4595 V C 1.638 177.735 176.094 0.005 0.000 1.067 4595 V CA 2.547 64.850 62.300 0.005 0.000 1.081 4595 V CB -0.520 31.306 31.823 0.005 0.000 0.686 4595 V HN 0.847 nan 8.190 nan 0.000 0.468 4596 D N -0.727 119.678 120.400 0.008 0.000 4.438 4596 D HA -0.222 4.418 4.640 0.000 0.000 0.158 4596 D C 0.615 176.916 176.300 0.003 0.000 0.686 4596 D CA 1.960 55.964 54.000 0.006 0.000 1.183 4596 D CB -1.282 39.519 40.800 0.001 0.000 0.623 4596 D HN 0.586 nan 8.370 nan 0.000 0.521 4597 D N 1.133 121.532 120.400 -0.001 0.000 2.398 4597 D HA 0.317 4.957 4.640 0.000 0.000 0.247 4597 D C -0.312 175.988 176.300 -0.000 0.000 1.227 4597 D CA 0.209 54.208 54.000 -0.002 0.000 0.980 4597 D CB 0.493 41.290 40.800 -0.005 0.000 1.106 4597 D HN 0.118 nan 8.370 nan 0.000 0.493 4598 E N -0.408 119.792 120.200 -0.000 0.000 2.261 4598 E HA 0.618 4.968 4.350 0.000 0.000 0.239 4598 E C -0.236 176.364 176.600 0.000 0.000 0.991 4598 E CA -0.485 55.916 56.400 0.001 0.000 0.847 4598 E CB 0.970 30.671 29.700 0.001 0.000 1.223 4598 E HN 0.510 nan 8.360 nan 0.000 0.446 4599 G N 1.162 109.962 108.800 0.000 0.000 2.340 4599 G HA2 0.359 4.319 3.960 0.000 0.000 0.300 4599 G HA3 0.359 4.319 3.960 0.000 0.000 0.300 4599 G C -1.719 173.181 174.900 0.001 0.000 1.488 4599 G CA -0.906 44.194 45.100 0.001 0.000 0.878 4599 G HN 0.074 nan 8.290 nan 0.000 0.618 4600 K N 0.625 121.026 120.400 0.001 0.000 2.553 4600 K HA 0.572 4.892 4.320 0.000 0.000 0.250 4600 K C -1.326 175.275 176.600 0.001 0.000 0.953 4600 K CA -0.522 55.765 56.287 0.001 0.000 0.800 4600 K CB 2.150 34.650 32.500 -0.000 0.000 1.243 4600 K HN 0.526 nan 8.250 nan 0.000 0.435 4601 V N 3.293 123.208 119.914 0.002 0.000 2.398 4601 V HA 0.303 4.423 4.120 0.000 0.000 0.286 4601 V C -0.416 175.678 176.094 0.001 0.000 1.026 4601 V CA -0.712 61.589 62.300 0.001 0.000 0.868 4601 V CB 1.549 33.373 31.823 0.003 0.000 0.982 4601 V HN 0.652 nan 8.190 nan 0.000 0.443 4602 D N 3.479 123.878 120.400 -0.001 0.000 2.471 4602 D HA 0.317 4.957 4.640 0.000 0.000 0.245 4602 D C 0.740 177.037 176.300 -0.003 0.000 1.116 4602 D CA -0.583 53.416 54.000 -0.002 0.000 0.853 4602 D CB 1.790 42.588 40.800 -0.004 0.000 1.123 4602 D HN 0.417 nan 8.370 nan 0.000 0.540 4603 K N 1.990 122.388 120.400 -0.003 0.000 2.442 4603 K HA -0.139 4.181 4.320 0.000 0.000 0.198 4603 K C 0.916 177.511 176.600 -0.008 0.000 1.044 4603 K CA 0.759 57.043 56.287 -0.005 0.000 0.948 4603 K CB 0.261 32.759 32.500 -0.003 0.000 0.762 4603 K HN 0.362 nan 8.250 nan 0.000 0.472 4604 D N 0.331 120.725 120.400 -0.009 0.000 2.219 4604 D HA -0.113 4.527 4.640 0.000 0.000 0.205 4604 D C 1.076 177.366 176.300 -0.017 0.000 0.970 4604 D CA 0.708 54.699 54.000 -0.014 0.000 0.851 4604 D CB 0.242 41.034 40.800 -0.013 0.000 0.943 4604 D HN -0.027 nan 8.370 nan 0.000 0.488 4605 L N 0.523 121.738 121.223 -0.014 0.000 2.591 4605 L HA 0.246 4.586 4.340 0.000 0.000 0.228 4605 L C 0.056 176.916 176.870 -0.016 0.000 1.133 4605 L CA 0.471 55.301 54.840 -0.016 0.000 0.880 4605 L CB -0.525 41.528 42.059 -0.010 0.000 1.033 4605 L HN 0.161 nan 8.230 nan 0.000 0.450 4606 I N 0.319 120.880 120.570 -0.015 0.000 2.437 4606 I HA 0.196 4.366 4.170 0.000 0.000 0.279 4606 I C 0.319 176.425 176.117 -0.019 0.000 1.028 4606 I CA -0.351 60.940 61.300 -0.014 0.000 1.142 4606 I CB 1.702 39.697 38.000 -0.007 0.000 1.266 4606 I HN -0.038 nan 8.210 nan 0.000 0.461 4607 K N 6.471 126.854 120.400 -0.027 0.000 2.174 4607 K HA 0.479 4.799 4.320 0.000 0.000 0.275 4607 K C -0.711 175.871 176.600 -0.030 0.000 1.015 4607 K CA -0.544 55.722 56.287 -0.035 0.000 0.933 4607 K CB 1.063 33.531 32.500 -0.053 0.000 1.025 4607 K HN 0.438 nan 8.250 nan 0.000 0.463 4608 I N 4.689 125.242 120.570 -0.029 0.000 2.337 4608 I HA 0.238 4.409 4.170 0.000 0.000 0.285 4608 I C -0.154 175.945 176.117 -0.030 0.000 1.041 4608 I CA -0.406 60.880 61.300 -0.022 0.000 1.199 4608 I CB 0.959 38.950 38.000 -0.016 0.000 1.370 4608 I HN 0.611 nan 8.210 nan 0.000 0.470 4609 E N 6.320 126.501 120.200 -0.031 0.000 2.202 4609 E HA 0.517 4.867 4.350 0.000 0.000 0.272 4609 E C -0.364 176.225 176.600 -0.019 0.000 0.951 4609 E CA -0.644 55.734 56.400 -0.037 0.000 0.813 4609 E CB 2.956 32.619 29.700 -0.061 0.000 1.151 4609 E HN 0.507 nan 8.360 nan 0.000 0.398 4610 K N 0.582 120.971 120.400 -0.018 0.000 2.468 4610 K HA 0.674 4.994 4.320 0.000 0.000 0.252 4610 K C -0.959 175.638 176.600 -0.005 0.000 0.932 4610 K CA -1.050 55.232 56.287 -0.008 0.000 0.794 4610 K CB 2.147 34.639 32.500 -0.014 0.000 1.241 4610 K HN 0.131 nan 8.250 nan 0.000 0.428 4611 K N 1.637 122.042 120.400 0.008 0.000 2.619 4611 K HA 0.187 4.507 4.320 0.000 0.000 0.251 4611 K C -1.086 175.526 176.600 0.020 0.000 0.987 4611 K CA -0.322 55.974 56.287 0.014 0.000 0.844 4611 K CB 1.811 34.328 32.500 0.027 0.000 1.237 4611 K HN 0.835 nan 8.250 nan 0.000 0.447 4612 S N 1.863 117.573 115.700 0.016 0.000 2.576 4612 S HA 0.694 5.164 4.470 0.000 0.000 0.272 4612 S C 0.496 175.111 174.600 0.025 0.000 1.352 4612 S CA 0.326 58.539 58.200 0.022 0.000 1.021 4612 S CB 0.698 63.912 63.200 0.024 0.000 0.887 4612 S HN 1.338 nan 8.310 nan 0.000 0.542 4613 G N -0.109 108.706 108.800 0.026 0.000 2.453 4613 G HA2 0.504 4.464 3.960 0.000 0.000 0.665 4613 G HA3 0.504 4.464 3.960 0.000 0.000 0.665 4613 G C -0.132 174.782 174.900 0.023 0.000 1.411 4613 G CA -0.131 44.983 45.100 0.024 0.000 0.889 4613 G HN 2.322 nan 8.290 nan 0.000 0.651 4614 A N -0.407 122.425 122.820 0.020 0.000 6.088 4614 A HA 0.405 4.725 4.320 0.000 0.000 0.261 4614 A C 1.369 178.964 177.584 0.018 0.000 2.138 4614 A CA 2.037 54.085 52.037 0.017 0.000 0.708 4614 A CB -1.814 17.197 19.000 0.018 0.000 1.068 4614 A HN 2.923 nan 8.150 nan 0.000 0.364 4615 S N -1.507 114.203 115.700 0.017 0.000 2.766 4615 S HA 0.781 5.251 4.470 0.000 0.000 0.307 4615 S C 1.071 175.683 174.600 0.019 0.000 1.121 4615 S CA -0.085 58.125 58.200 0.017 0.000 0.980 4615 S CB 1.089 64.297 63.200 0.014 0.000 1.159 4615 S HN 1.123 nan 8.310 nan 0.000 0.546 4616 I N 0.579 121.160 120.570 0.019 0.000 2.493 4616 I HA -0.093 4.077 4.170 0.000 0.000 0.254 4616 I C 2.166 178.293 176.117 0.017 0.000 1.160 4616 I CA 1.433 62.744 61.300 0.019 0.000 1.445 4616 I CB -0.492 37.519 38.000 0.020 0.000 1.086 4616 I HN 0.780 nan 8.210 nan 0.000 0.433 4617 D N 1.372 121.780 120.400 0.014 0.000 2.182 4617 D HA -0.223 4.417 4.640 0.000 0.000 0.201 4617 D C 1.387 177.694 176.300 0.013 0.000 0.986 4617 D CA 1.379 55.386 54.000 0.012 0.000 0.847 4617 D CB -0.024 40.781 40.800 0.009 0.000 0.942 4617 D HN 0.340 nan 8.370 nan 0.000 0.467 4618 D N -0.883 119.526 120.400 0.015 0.000 2.348 4618 D HA -0.019 4.621 4.640 0.000 0.000 0.216 4618 D C 0.246 176.561 176.300 0.024 0.000 0.970 4618 D CA 0.508 54.518 54.000 0.017 0.000 0.889 4618 D CB -0.068 40.743 40.800 0.017 0.000 0.912 4618 D HN 0.093 nan 8.370 nan 0.000 0.524 4619 T N 1.616 116.185 114.554 0.025 0.000 2.933 4619 T HA 0.099 4.449 4.350 0.000 0.000 0.306 4619 T C 0.271 174.989 174.700 0.031 0.000 1.045 4619 T CA 0.281 62.399 62.100 0.030 0.000 1.143 4619 T CB 0.338 69.221 68.868 0.024 0.000 1.003 4619 T HN 0.312 nan 8.240 nan 0.000 0.540 4620 E N 1.757 121.983 120.200 0.042 0.000 2.408 4620 E HA 0.602 4.952 4.350 0.000 0.000 0.275 4620 E C -1.562 175.070 176.600 0.053 0.000 0.935 4620 E CA -1.175 55.251 56.400 0.044 0.000 0.775 4620 E CB 1.257 30.985 29.700 0.047 0.000 1.277 4620 E HN 0.338 nan 8.360 nan 0.000 0.455 4621 L N 1.962 123.211 121.223 0.044 0.000 2.289 4621 L HA 0.477 4.818 4.340 0.000 0.000 0.285 4621 L C -1.429 175.477 176.870 0.061 0.000 1.049 4621 L CA -0.491 54.376 54.840 0.044 0.000 0.804 4621 L CB 1.063 43.139 42.059 0.028 0.000 1.195 4621 L HN 0.601 nan 8.230 nan 0.000 0.428 4622 I N 5.080 125.694 120.570 0.073 0.000 2.354 4622 I HA 0.290 4.460 4.170 0.000 0.000 0.286 4622 I C 0.207 176.360 176.117 0.060 0.000 1.007 4622 I CA -0.293 61.067 61.300 0.101 0.000 1.167 4622 I CB 1.184 39.290 38.000 0.175 0.000 1.320 4622 I HN 0.522 nan 8.210 nan 0.000 0.458 4623 K N 6.046 126.476 120.400 0.050 0.000 2.054 4623 K HA 0.474 4.794 4.320 0.000 0.000 0.242 4623 K C 0.323 176.941 176.600 0.030 0.000 1.157 4623 K CA 0.258 56.562 56.287 0.030 0.000 1.079 4623 K CB -0.406 32.106 32.500 0.020 0.000 1.331 4623 K HN 0.947 nan 8.250 nan 0.000 0.317 4624 G N 0.565 109.378 108.800 0.022 0.000 2.491 4624 G HA2 0.061 4.022 3.960 0.000 0.000 0.183 4624 G HA3 0.061 4.022 3.960 0.000 0.000 0.183 4624 G C -1.647 173.243 174.900 -0.017 0.000 1.221 4624 G CA -0.646 44.459 45.100 0.010 0.000 0.996 4624 G HN 0.170 nan 8.290 nan 0.000 0.474 4625 V N 0.803 120.693 119.914 -0.041 0.000 2.487 4625 V HA 0.704 4.824 4.120 0.000 0.000 0.298 4625 V C -0.832 175.176 176.094 -0.143 0.000 1.028 4625 V CA -0.595 61.644 62.300 -0.102 0.000 0.860 4625 V CB 1.453 33.185 31.823 -0.153 0.000 0.991 4625 V HN 0.945 nan 8.190 nan 0.000 0.427 4626 L N 7.512 128.615 121.223 -0.201 0.000 2.305 4626 L HA 0.838 5.178 4.340 0.000 0.000 0.284 4626 L C -0.367 176.336 176.870 -0.279 0.000 1.013 4626 L CA -0.174 54.448 54.840 -0.365 0.000 0.819 4626 L CB 1.686 43.432 42.059 -0.522 0.000 1.227 4626 L HN 0.581 nan 8.230 nan 0.000 0.417 4627 V N 1.565 121.328 119.914 -0.252 0.000 2.715 4627 V HA 0.632 4.752 4.120 0.000 0.000 0.310 4627 V C -0.352 175.670 176.094 -0.120 0.000 1.054 4627 V CA -0.517 61.691 62.300 -0.153 0.000 0.928 4627 V CB 1.788 33.548 31.823 -0.106 0.000 1.007 4627 V HN 0.823 nan 8.190 nan 0.000 0.437 4628 D N 1.664 122.019 120.400 -0.076 0.000 3.134 4628 D HA 0.253 4.893 4.640 0.000 0.000 0.248 4628 D C 0.050 176.348 176.300 -0.004 0.000 1.273 4628 D CA -0.185 53.788 54.000 -0.045 0.000 0.904 4628 D CB -0.002 40.774 40.800 -0.039 0.000 1.089 4628 D HN 0.504 nan 8.370 nan 0.000 0.478 4629 K N 0.714 121.127 120.400 0.021 0.000 2.306 4629 K HA 0.412 4.732 4.320 0.000 0.000 0.236 4629 K C 0.524 177.156 176.600 0.053 0.000 1.013 4629 K CA -0.650 55.669 56.287 0.054 0.000 0.857 4629 K CB 2.337 34.906 32.500 0.114 0.000 1.214 4629 K HN 0.359 nan 8.250 nan 0.000 0.449 4630 E N 0.930 121.155 120.200 0.042 0.000 2.359 4630 E HA 0.360 4.710 4.350 0.000 0.000 0.266 4630 E C -0.686 175.920 176.600 0.010 0.000 0.920 4630 E CA -0.933 55.485 56.400 0.030 0.000 0.788 4630 E CB 1.283 30.997 29.700 0.023 0.000 1.279 4630 E HN 0.214 nan 8.360 nan 0.000 0.438 4631 R N 1.373 121.874 120.500 0.002 0.000 2.296 4631 R HA 0.097 4.437 4.340 0.000 0.000 0.323 4631 R C 1.379 177.672 176.300 -0.013 0.000 1.067 4631 R CA 0.231 56.319 56.100 -0.020 0.000 0.946 4631 R CB 0.415 30.705 30.300 -0.018 0.000 0.991 4631 R HN 0.568 nan 8.270 nan 0.000 0.448 4632 V N 0.011 119.913 119.914 -0.020 0.000 2.720 4632 V HA -0.091 4.030 4.120 0.000 0.000 0.256 4632 V C 0.923 177.014 176.094 -0.004 0.000 1.082 4632 V CA 1.150 63.445 62.300 -0.009 0.000 1.101 4632 V CB -0.255 31.562 31.823 -0.009 0.000 0.693 4632 V HN 0.521 nan 8.190 nan 0.000 0.479 4633 S N -1.077 114.620 115.700 -0.005 0.000 2.526 4633 S HA 0.777 5.247 4.470 0.000 0.000 0.293 4633 S C 0.897 175.495 174.600 -0.004 0.000 1.092 4633 S CA -0.135 58.063 58.200 -0.002 0.000 0.980 4633 S CB 1.875 65.082 63.200 0.013 0.000 1.048 4633 S HN 0.709 nan 8.310 nan 0.000 0.483 4634 A N 2.952 125.766 122.820 -0.009 0.000 2.019 4634 A HA -0.083 4.237 4.320 0.000 0.000 0.219 4634 A C 1.907 179.490 177.584 -0.001 0.000 1.164 4634 A CA 1.721 53.754 52.037 -0.006 0.000 0.644 4634 A CB -0.651 18.341 19.000 -0.012 0.000 0.805 4634 A HN 0.901 nan 8.150 nan 0.000 0.449 4635 Q N -1.088 118.715 119.800 0.005 0.000 2.389 4635 Q HA 0.130 4.470 4.340 0.000 0.000 0.204 4635 Q C 0.490 176.502 176.000 0.020 0.000 0.944 4635 Q CA -0.097 55.718 55.803 0.020 0.000 0.908 4635 Q CB -0.098 28.667 28.738 0.046 0.000 1.002 4635 Q HN 0.675 nan 8.270 nan 0.000 0.493 4636 M N 2.284 121.891 119.600 0.011 0.000 2.243 4636 M HA 0.186 4.666 4.480 0.000 0.000 0.341 4636 M C -2.026 174.271 176.300 -0.005 0.000 1.130 4636 M CA -1.788 53.511 55.300 -0.001 0.000 1.162 4636 M CB 0.406 32.998 32.600 -0.014 0.000 1.497 4636 M HN -0.044 nan 8.290 nan 0.000 0.456 4637 P HA 0.007 nan 4.420 nan 0.000 0.266 4637 P C -0.515 176.780 177.300 -0.009 0.000 1.193 4637 P CA 0.313 63.407 63.100 -0.010 0.000 0.770 4637 P CB 0.442 32.133 31.700 -0.015 0.000 0.836 4638 K N 0.949 121.349 120.400 -0.001 0.000 2.367 4638 K HA 0.108 4.428 4.320 0.000 0.000 0.194 4638 K C 0.510 177.117 176.600 0.012 0.000 1.027 4638 K CA 0.350 56.640 56.287 0.006 0.000 1.075 4638 K CB 0.348 32.853 32.500 0.009 0.000 0.845 4638 K HN 0.330 nan 8.250 nan 0.000 0.529 4639 K N 0.971 121.375 120.400 0.006 0.000 2.550 4639 K HA 0.257 4.577 4.320 0.000 0.000 0.252 4639 K C -1.835 174.767 176.600 0.004 0.000 0.943 4639 K CA -0.495 55.798 56.287 0.010 0.000 0.806 4639 K CB 2.086 34.589 32.500 0.005 0.000 1.289 4639 K HN -0.239 nan 8.250 nan 0.000 0.435 4640 V N 2.886 122.806 119.914 0.010 0.000 2.531 4640 V HA 0.448 4.568 4.120 0.000 0.000 0.301 4640 V C -0.278 175.824 176.094 0.013 0.000 1.034 4640 V CA -0.716 61.587 62.300 0.006 0.000 0.865 4640 V CB 1.754 33.578 31.823 0.001 0.000 0.995 4640 V HN 0.936 nan 8.190 nan 0.000 0.424 4641 T N -0.087 114.472 114.554 0.007 0.000 2.859 4641 T HA 0.557 4.907 4.350 0.000 0.000 0.281 4641 T C -0.004 174.700 174.700 0.007 0.000 1.005 4641 T CA -0.334 61.770 62.100 0.007 0.000 1.025 4641 T CB 1.301 70.170 68.868 0.002 0.000 0.977 4641 T HN 0.778 nan 8.240 nan 0.000 0.458 4642 D N 0.666 121.071 120.400 0.008 0.000 2.697 4642 D HA -0.147 4.493 4.640 0.000 0.000 0.238 4642 D C 0.332 176.639 176.300 0.012 0.000 1.152 4642 D CA 0.867 54.872 54.000 0.008 0.000 0.666 4642 D CB -1.224 39.578 40.800 0.003 0.000 1.037 4642 D HN 1.118 nan 8.370 nan 0.000 0.423 4643 A N 1.486 124.319 122.820 0.020 0.000 2.462 4643 A HA 0.409 4.729 4.320 0.000 0.000 0.243 4643 A C 0.491 178.092 177.584 0.029 0.000 1.076 4643 A CA 0.126 52.178 52.037 0.026 0.000 0.773 4643 A CB 0.606 19.633 19.000 0.045 0.000 1.010 4643 A HN 0.160 nan 8.150 nan 0.000 0.493 4644 K N 2.631 123.045 120.400 0.023 0.000 2.389 4644 K HA 0.419 4.739 4.320 0.000 0.000 0.261 4644 K C -1.319 175.302 176.600 0.035 0.000 1.014 4644 K CA -0.163 56.138 56.287 0.024 0.000 0.920 4644 K CB 1.067 33.574 32.500 0.010 0.000 1.149 4644 K HN 0.529 nan 8.250 nan 0.000 0.444 4645 I N 2.073 122.680 120.570 0.063 0.000 2.331 4645 I HA 0.282 4.452 4.170 0.000 0.000 0.292 4645 I C 0.279 176.452 176.117 0.093 0.000 0.998 4645 I CA -0.318 61.047 61.300 0.109 0.000 1.267 4645 I CB 1.613 39.719 38.000 0.176 0.000 1.386 4645 I HN 0.502 nan 8.210 nan 0.000 0.476 4646 A N 7.370 130.245 122.820 0.092 0.000 2.330 4646 A HA 0.857 5.177 4.320 0.000 0.000 0.327 4646 A C -0.764 176.892 177.584 0.120 0.000 1.155 4646 A CA -0.561 51.521 52.037 0.075 0.000 0.803 4646 A CB 0.732 19.753 19.000 0.033 0.000 1.208 4646 A HN 0.674 nan 8.150 nan 0.000 0.477 4647 L N 3.183 124.463 121.223 0.094 0.000 2.324 4647 L HA 0.371 4.711 4.340 0.000 0.000 0.274 4647 L C -1.256 175.652 176.870 0.064 0.000 1.012 4647 L CA -0.552 54.347 54.840 0.098 0.000 0.859 4647 L CB 1.037 43.136 42.059 0.065 0.000 1.224 4647 L HN 0.499 nan 8.230 nan 0.000 0.429 4648 L N 2.771 124.035 121.223 0.068 0.000 2.309 4648 L HA 0.357 4.697 4.340 0.000 0.000 0.282 4648 L C 0.739 177.635 176.870 0.043 0.000 1.036 4648 L CA 0.210 55.077 54.840 0.045 0.000 0.806 4648 L CB 1.492 43.573 42.059 0.036 0.000 1.220 4648 L HN 0.421 nan 8.230 nan 0.000 0.429 4649 N N 0.460 119.178 118.700 0.030 0.000 2.407 4649 N HA 0.007 4.748 4.740 0.000 0.000 0.182 4649 N C 0.126 175.649 175.510 0.022 0.000 1.079 4649 N CA 0.012 53.077 53.050 0.025 0.000 0.882 4649 N CB 0.377 38.875 38.487 0.019 0.000 1.106 4649 N HN 0.587 nan 8.380 nan 0.000 0.461 4650 C N 1.913 121.225 119.300 0.020 0.000 2.585 4650 C HA 0.746 5.206 4.460 0.000 0.000 0.406 4650 C C 0.843 175.845 174.990 0.019 0.000 1.312 4650 C CA -0.959 58.069 59.018 0.018 0.000 1.924 4650 C CB -1.442 26.308 27.740 0.016 0.000 2.578 4650 C HN 0.507 nan 8.230 nan 0.000 0.580 4651 A N 6.292 129.123 122.820 0.018 0.000 2.540 4651 A HA 0.305 4.625 4.320 0.000 0.000 0.239 4651 A C 0.328 177.923 177.584 0.019 0.000 1.061 4651 A CA 0.120 52.169 52.037 0.019 0.000 0.758 4651 A CB -0.046 18.964 19.000 0.017 0.000 0.991 4651 A HN 0.898 nan 8.150 nan 0.000 0.502 4652 I N 2.587 123.169 120.570 0.020 0.000 2.204 4652 I HA 0.135 4.305 4.170 0.000 0.000 0.291 4652 I C -0.058 176.074 176.117 0.025 0.000 1.153 4652 I CA 0.615 61.928 61.300 0.022 0.000 1.546 4652 I CB -0.558 37.455 38.000 0.021 0.000 1.490 4652 I HN 0.627 nan 8.210 nan 0.000 0.697 4653 E N 4.659 124.873 120.200 0.022 0.000 2.302 4653 E HA 0.397 4.747 4.350 0.000 0.000 0.263 4653 E C -0.989 175.623 176.600 0.019 0.000 0.897 4653 E CA -0.599 55.814 56.400 0.021 0.000 0.809 4653 E CB 2.043 31.754 29.700 0.018 0.000 1.270 4653 E HN 0.235 nan 8.360 nan 0.000 0.410 4654 E N 1.902 122.114 120.200 0.020 0.000 2.275 4654 E HA 0.235 4.585 4.350 0.000 0.000 0.270 4654 E C -0.739 175.869 176.600 0.014 0.000 0.882 4654 E CA -0.612 55.798 56.400 0.017 0.000 0.758 4654 E CB 2.270 31.981 29.700 0.019 0.000 1.195 4654 E HN 0.286 nan 8.360 nan 0.000 0.419 4655 T N 1.491 116.052 114.554 0.010 0.000 2.946 4655 T HA 0.358 4.708 4.350 0.000 0.000 0.311 4655 T C 0.180 174.883 174.700 0.005 0.000 1.063 4655 T CA 0.840 62.944 62.100 0.007 0.000 1.139 4655 T CB 0.286 69.158 68.868 0.006 0.000 0.994 4655 T HN 0.732 nan 8.240 nan 0.000 0.547 4656 A N 2.898 125.720 122.820 0.002 0.000 2.435 4656 A HA -0.084 4.236 4.320 0.000 0.000 0.686 4656 A C 1.365 178.945 177.584 -0.006 0.000 0.138 4656 A CA 0.081 52.116 52.037 -0.003 0.000 0.024 4656 A CB -1.532 17.465 19.000 -0.004 0.000 3.974 4656 A HN 0.801 nan 8.150 nan 0.000 0.548 4657 S N 0.524 116.213 115.700 -0.018 0.000 2.406 4657 S HA -0.079 4.391 4.470 0.000 0.000 0.228 4657 S C 1.689 176.262 174.600 -0.045 0.000 1.020 4657 S CA 1.335 59.515 58.200 -0.035 0.000 0.965 4657 S CB -0.173 62.995 63.200 -0.054 0.000 0.798 4657 S HN 0.736 nan 8.310 nan 0.000 0.488 4658 E N 1.134 121.313 120.200 -0.036 0.000 2.072 4658 E HA -0.010 4.340 4.350 0.000 0.000 0.191 4658 E C 1.962 178.558 176.600 -0.006 0.000 0.985 4658 E CA 0.858 57.240 56.400 -0.031 0.000 0.801 4658 E CB -0.233 29.453 29.700 -0.023 0.000 0.750 4658 E HN 0.409 nan 8.360 nan 0.000 0.452 4659 M N 0.013 119.613 119.600 0.000 0.000 2.200 4659 M HA -0.065 4.415 4.480 0.000 0.000 0.265 4659 M C 2.315 178.629 176.300 0.024 0.000 1.066 4659 M CA 0.729 56.036 55.300 0.012 0.000 1.127 4659 M CB -0.808 31.797 32.600 0.009 0.000 1.379 4659 M HN 0.090 nan 8.290 nan 0.000 0.420 4660 L N 0.667 121.905 121.223 0.024 0.000 2.072 4660 L HA -0.069 4.271 4.340 0.000 0.000 0.205 4660 L C 2.119 179.037 176.870 0.079 0.000 1.079 4660 L CA 1.840 56.705 54.840 0.041 0.000 0.752 4660 L CB -0.569 41.511 42.059 0.034 0.000 0.906 4660 L HN 0.162 nan 8.230 nan 0.000 0.436 4661 K N -0.674 119.772 120.400 0.077 0.000 2.283 4661 K HA -0.169 4.151 4.320 0.000 0.000 0.202 4661 K C 1.690 178.417 176.600 0.212 0.000 1.048 4661 K CA 1.083 57.480 56.287 0.185 0.000 0.948 4661 K CB -0.156 32.304 32.500 -0.068 0.000 0.742 4661 K HN 0.315 nan 8.250 nan 0.000 0.458 4662 D N 0.838 121.300 120.400 0.103 0.000 2.117 4662 D HA -0.131 4.509 4.640 0.000 0.000 0.197 4662 D C 1.796 178.134 176.300 0.064 0.000 0.987 4662 D CA 1.100 55.146 54.000 0.077 0.000 0.829 4662 D CB 0.174 41.000 40.800 0.043 0.000 0.961 4662 D HN -0.012 nan 8.370 nan 0.000 0.460 4663 M N -0.043 119.592 119.600 0.058 0.000 2.117 4663 M HA -0.096 4.384 4.480 0.000 0.000 0.262 4663 M C 2.332 178.647 176.300 0.024 0.000 1.065 4663 M CA 0.640 55.962 55.300 0.037 0.000 1.114 4663 M CB -0.879 31.742 32.600 0.036 0.000 1.361 4663 M HN -0.017 nan 8.290 nan 0.000 0.408 4664 V N 0.480 120.421 119.914 0.045 0.000 2.358 4664 V HA -0.193 3.927 4.120 0.000 0.000 0.246 4664 V C 2.717 178.751 176.094 -0.100 0.000 1.047 4664 V CA 1.726 64.009 62.300 -0.027 0.000 1.035 4664 V CB -1.331 30.496 31.823 0.007 0.000 0.658 4664 V HN 0.474 nan 8.190 nan 0.000 0.452 4665 A N -0.465 122.347 122.820 -0.014 0.000 1.933 4665 A HA -0.223 4.097 4.320 0.000 0.000 0.218 4665 A C 2.177 179.746 177.584 -0.025 0.000 1.175 4665 A CA 1.757 53.781 52.037 -0.021 0.000 0.628 4665 A CB -0.420 18.631 19.000 0.085 0.000 0.814 4665 A HN 0.614 nan 8.150 nan 0.000 0.444 4666 E N -0.388 119.808 120.200 -0.006 0.000 2.106 4666 E HA -0.116 4.234 4.350 0.000 0.000 0.192 4666 E C 1.838 178.426 176.600 -0.019 0.000 0.984 4666 E CA 0.991 57.388 56.400 -0.006 0.000 0.806 4666 E CB -0.250 29.453 29.700 0.005 0.000 0.750 4666 E HN 0.709 nan 8.360 nan 0.000 0.458 4667 I N 1.116 121.667 120.570 -0.032 0.000 2.179 4667 I HA -0.281 3.889 4.170 0.000 0.000 0.242 4667 I C 2.485 178.572 176.117 -0.050 0.000 1.088 4667 I CA 1.059 62.336 61.300 -0.038 0.000 1.357 4667 I CB -0.151 37.819 38.000 -0.050 0.000 1.051 4667 I HN -0.021 nan 8.210 nan 0.000 0.409 4668 K N 1.630 121.984 120.400 -0.076 0.000 2.057 4668 K HA -0.124 4.196 4.320 0.000 0.000 0.207 4668 K C 2.038 178.610 176.600 -0.047 0.000 1.049 4668 K CA 1.728 57.968 56.287 -0.079 0.000 0.931 4668 K CB -0.406 32.021 32.500 -0.121 0.000 0.714 4668 K HN 0.276 nan 8.250 nan 0.000 0.440 4669 A N -0.101 122.698 122.820 -0.036 0.000 1.933 4669 A HA -0.121 4.199 4.320 0.000 0.000 0.218 4669 A C 2.176 179.752 177.584 -0.014 0.000 1.175 4669 A CA 2.088 54.114 52.037 -0.019 0.000 0.628 4669 A CB -0.755 18.239 19.000 -0.010 0.000 0.814 4669 A HN 0.365 nan 8.150 nan 0.000 0.444 4670 S N -1.741 113.951 115.700 -0.014 0.000 2.474 4670 S HA 0.248 4.718 4.470 0.000 0.000 0.235 4670 S C 1.508 176.104 174.600 -0.008 0.000 0.997 4670 S CA 1.157 59.352 58.200 -0.008 0.000 0.949 4670 S CB -0.140 63.057 63.200 -0.005 0.000 0.766 4670 S HN 1.678 nan 8.310 nan 0.000 0.517 4671 G N 0.690 109.480 108.800 -0.015 0.000 2.159 4671 G HA2 -0.128 3.832 3.960 0.000 0.000 0.227 4671 G HA3 -0.128 3.832 3.960 0.000 0.000 0.227 4671 G C 0.108 174.998 174.900 -0.017 0.000 0.986 4671 G CA -0.176 44.915 45.100 -0.015 0.000 0.651 4671 G HN 0.827 nan 8.290 nan 0.000 0.523 4672 A N 0.038 122.845 122.820 -0.021 0.000 2.477 4672 A HA 0.637 4.957 4.320 0.000 0.000 0.246 4672 A C 1.106 178.668 177.584 -0.037 0.000 1.078 4672 A CA 0.722 52.747 52.037 -0.021 0.000 0.770 4672 A CB 0.216 19.204 19.000 -0.020 0.000 1.011 4672 A HN 0.333 nan 8.150 nan 0.000 0.494 4673 N N 0.608 119.289 118.700 -0.032 0.000 2.257 4673 N HA 0.125 4.865 4.740 0.000 0.000 0.200 4673 N C -0.679 174.794 175.510 -0.063 0.000 1.163 4673 N CA 0.449 53.472 53.050 -0.044 0.000 0.891 4673 N CB 1.046 39.516 38.487 -0.029 0.000 1.067 4673 N HN 0.383 nan 8.380 nan 0.000 0.497 4674 V N 2.511 122.388 119.914 -0.062 0.000 2.540 4674 V HA 0.458 4.578 4.120 0.000 0.000 0.302 4674 V C -0.697 175.311 176.094 -0.145 0.000 1.035 4674 V CA -0.733 61.492 62.300 -0.125 0.000 0.873 4674 V CB 2.993 34.781 31.823 -0.058 0.000 0.992 4674 V HN 0.023 nan 8.190 nan 0.000 0.428 4675 L N 5.632 126.683 121.223 -0.287 0.000 2.446 4675 L HA 0.604 4.944 4.340 0.000 0.000 0.268 4675 L C -1.828 174.832 176.870 -0.351 0.000 0.975 4675 L CA -0.103 54.615 54.840 -0.203 0.000 0.848 4675 L CB 1.467 43.453 42.059 -0.123 0.000 1.225 4675 L HN 0.581 nan 8.230 nan 0.000 0.410 4676 F N 4.419 124.367 119.950 -0.004 0.000 2.388 4676 F HA 0.335 4.862 4.527 -0.000 0.000 0.358 4676 F C 0.527 176.325 175.800 -0.004 0.000 1.122 4676 F CA -0.407 57.591 58.000 -0.005 0.000 1.056 4676 F CB 1.347 40.343 39.000 -0.007 0.000 1.155 4676 F HN 0.445 nan 8.300 nan 0.000 0.461 4677 C N 5.264 124.646 119.300 0.137 0.000 2.303 4677 C HA 0.217 4.677 4.460 0.000 0.000 0.326 4677 C C 1.630 176.670 174.990 0.085 0.000 1.285 4677 C CA -0.464 58.605 59.018 0.084 0.000 1.675 4677 C CB 0.642 28.407 27.740 0.042 0.000 2.289 4677 C HN 0.952 nan 8.230 nan 0.000 0.512 4678 Q N 3.201 123.041 119.800 0.066 0.000 2.124 4678 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 4678 Q C 1.088 177.109 176.000 0.035 0.000 0.977 4678 Q CA 1.591 57.422 55.803 0.046 0.000 0.850 4678 Q CB 0.198 28.954 28.738 0.030 0.000 0.901 4678 Q HN 0.704 nan 8.270 nan 0.000 0.429 4679 K N -0.713 119.706 120.400 0.031 0.000 2.842 4679 K HA 0.350 4.670 4.320 0.000 0.000 0.310 4679 K C 0.495 177.110 176.600 0.026 0.000 0.992 4679 K CA 0.058 56.360 56.287 0.024 0.000 1.207 4679 K CB -0.739 31.773 32.500 0.020 0.000 1.478 4679 K HN 0.131 nan 8.250 nan 0.000 0.601 4680 G N 0.262 109.074 108.800 0.021 0.000 2.562 4680 G HA2 0.534 4.495 3.960 0.000 0.000 0.275 4680 G HA3 0.534 4.495 3.960 0.000 0.000 0.275 4680 G C -0.472 174.440 174.900 0.019 0.000 1.196 4680 G CA -0.557 44.554 45.100 0.019 0.000 0.908 4680 G HN 0.313 nan 8.290 nan 0.000 0.524 4681 I N 0.678 121.259 120.570 0.018 0.000 2.478 4681 I HA 0.166 4.336 4.170 0.000 0.000 0.287 4681 I C -0.530 175.600 176.117 0.022 0.000 1.042 4681 I CA -0.766 60.545 61.300 0.019 0.000 1.067 4681 I CB 2.038 40.045 38.000 0.012 0.000 1.233 4681 I HN 0.415 nan 8.210 nan 0.000 0.431 4682 D N 4.931 125.348 120.400 0.027 0.000 2.414 4682 D HA -0.049 4.591 4.640 0.000 0.000 0.242 4682 D C 0.612 176.936 176.300 0.040 0.000 1.129 4682 D CA 0.175 54.194 54.000 0.031 0.000 0.885 4682 D CB 1.341 42.161 40.800 0.033 0.000 1.198 4682 D HN 0.484 nan 8.370 nan 0.000 0.437 4683 D N 2.790 123.212 120.400 0.036 0.000 2.158 4683 D HA -0.185 4.455 4.640 0.000 0.000 0.197 4683 D C 1.770 178.118 176.300 0.079 0.000 0.995 4683 D CA 0.608 54.633 54.000 0.042 0.000 0.846 4683 D CB -0.031 40.783 40.800 0.024 0.000 0.941 4683 D HN 0.454 nan 8.370 nan 0.000 0.456 4684 L N 0.188 121.460 121.223 0.082 0.000 2.056 4684 L HA -0.140 4.200 4.340 0.000 0.000 0.207 4684 L C 2.183 179.135 176.870 0.136 0.000 1.078 4684 L CA 1.416 56.324 54.840 0.112 0.000 0.749 4684 L CB -0.165 41.935 42.059 0.067 0.000 0.901 4684 L HN -0.021 nan 8.230 nan 0.000 0.433 4685 A N -0.638 122.245 122.820 0.105 0.000 1.933 4685 A HA -0.250 4.070 4.320 0.000 0.000 0.218 4685 A C 2.085 179.733 177.584 0.107 0.000 1.175 4685 A CA 1.643 53.746 52.037 0.111 0.000 0.628 4685 A CB -0.485 18.556 19.000 0.069 0.000 0.814 4685 A HN 0.638 nan 8.150 nan 0.000 0.444 4686 Q N -1.416 118.440 119.800 0.093 0.000 2.084 4686 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 4686 Q C 2.050 178.135 176.000 0.142 0.000 0.978 4686 Q CA 1.629 57.479 55.803 0.079 0.000 0.844 4686 Q CB -0.389 28.382 28.738 0.054 0.000 0.898 4686 Q HN 0.944 nan 8.270 nan 0.000 0.426 4687 H N -0.856 118.247 119.070 0.055 0.000 2.293 4687 H HA -0.196 4.360 4.556 0.000 0.000 0.300 4687 H C 1.942 177.350 175.328 0.134 0.000 1.082 4687 H CA 1.175 57.266 56.048 0.070 0.000 1.308 4687 H CB 0.113 29.909 29.762 0.057 0.000 1.375 4687 H HN 0.238 nan 8.280 nan 0.000 0.495 4688 Y N 1.304 121.599 120.300 -0.007 0.000 2.293 4688 Y HA -0.133 4.417 4.550 -0.000 0.000 0.291 4688 Y C 2.335 178.214 175.900 -0.036 0.000 1.137 4688 Y CA 0.923 58.966 58.100 -0.094 0.000 1.202 4688 Y CB -0.558 37.853 38.460 -0.082 0.000 0.990 4688 Y HN 0.206 nan 8.280 nan 0.000 0.537 4689 L N -0.576 120.643 121.223 -0.007 0.000 2.042 4689 L HA -0.256 4.084 4.340 0.000 0.000 0.210 4689 L C 2.713 179.543 176.870 -0.066 0.000 1.076 4689 L CA 1.341 56.121 54.840 -0.100 0.000 0.749 4689 L CB -0.882 41.149 42.059 -0.047 0.000 0.893 4689 L HN 0.234 nan 8.230 nan 0.000 0.432 4690 A N -0.163 122.667 122.820 0.017 0.000 1.933 4690 A HA -0.212 4.108 4.320 0.000 0.000 0.218 4690 A C 2.291 179.893 177.584 0.031 0.000 1.175 4690 A CA 1.581 53.639 52.037 0.036 0.000 0.628 4690 A CB -0.317 18.740 19.000 0.094 0.000 0.814 4690 A HN 0.330 nan 8.150 nan 0.000 0.444 4691 K N -0.406 120.023 120.400 0.048 0.000 2.211 4691 K HA -0.067 4.253 4.320 0.000 0.000 0.203 4691 K C 1.137 177.722 176.600 -0.024 0.000 1.050 4691 K CA 1.108 57.423 56.287 0.046 0.000 0.945 4691 K CB 0.025 32.605 32.500 0.133 0.000 0.732 4691 K HN 0.390 nan 8.250 nan 0.000 0.451 4692 E N -0.400 119.727 120.200 -0.122 0.000 2.479 4692 E HA 0.027 4.377 4.350 0.000 0.000 0.193 4692 E C 0.809 177.351 176.600 -0.097 0.000 1.049 4692 E CA 0.380 56.686 56.400 -0.158 0.000 0.870 4692 E CB 0.744 30.262 29.700 -0.305 0.000 0.944 4692 E HN 0.447 nan 8.360 nan 0.000 0.492 4693 G N 2.042 110.803 108.800 -0.066 0.000 2.160 4693 G HA2 -0.288 3.672 3.960 0.000 0.000 0.251 4693 G HA3 -0.288 3.672 3.960 0.000 0.000 0.251 4693 G C 0.235 175.100 174.900 -0.058 0.000 1.008 4693 G CA 0.179 45.251 45.100 -0.046 0.000 0.724 4693 G HN 0.265 nan 8.290 nan 0.000 0.514 4694 I N 0.938 121.461 120.570 -0.078 0.000 2.331 4694 I HA 0.438 4.608 4.170 0.000 0.000 0.292 4694 I C 0.984 177.051 176.117 -0.083 0.000 0.998 4694 I CA -1.154 60.094 61.300 -0.087 0.000 1.267 4694 I CB 1.632 39.567 38.000 -0.108 0.000 1.386 4694 I HN 0.144 nan 8.210 nan 0.000 0.476 4695 V N 3.746 123.602 119.914 -0.096 0.000 2.509 4695 V HA 0.915 5.035 4.120 0.000 0.000 0.284 4695 V C 0.049 176.034 176.094 -0.181 0.000 1.047 4695 V CA -0.261 61.970 62.300 -0.115 0.000 0.952 4695 V CB 1.162 32.920 31.823 -0.108 0.000 0.988 4695 V HN 0.829 nan 8.190 nan 0.000 0.469 4696 A N 3.603 126.321 122.820 -0.169 0.000 2.515 4696 A HA 1.007 5.327 4.320 0.000 0.000 0.298 4696 A C -0.350 177.130 177.584 -0.172 0.000 1.059 4696 A CA -0.298 51.621 52.037 -0.197 0.000 0.698 4696 A CB 1.857 20.790 19.000 -0.113 0.000 1.289 4696 A HN 2.349 nan 8.150 nan 0.000 0.404 4697 A N 1.758 124.461 122.820 -0.195 0.000 2.374 4697 A HA 0.772 5.092 4.320 0.000 0.000 0.305 4697 A C -0.081 177.505 177.584 0.003 0.000 1.053 4697 A CA -0.674 51.320 52.037 -0.071 0.000 0.726 4697 A CB 0.932 19.916 19.000 -0.028 0.000 1.229 4697 A HN 1.237 nan 8.150 nan 0.000 0.431 4698 R N 1.660 122.172 120.500 0.020 0.000 2.607 4698 R HA 0.734 5.074 4.340 0.000 0.000 0.261 4698 R C -0.401 175.927 176.300 0.046 0.000 1.051 4698 R CA -0.787 55.332 56.100 0.033 0.000 1.110 4698 R CB 0.446 30.758 30.300 0.020 0.000 1.158 4698 R HN 0.523 nan 8.270 nan 0.000 0.543 4699 R N -0.891 119.633 120.500 0.040 0.000 3.525 4699 R HA -0.109 4.231 4.340 0.000 0.000 0.276 4699 R C -0.744 175.580 176.300 0.041 0.000 1.116 4699 R CA 0.538 56.658 56.100 0.033 0.000 0.745 4699 R CB -2.606 27.708 30.300 0.024 0.000 1.185 4699 R HN 0.534 nan 8.270 nan 0.000 0.454 4700 V N 1.491 121.442 119.914 0.061 0.000 2.572 4700 V HA 0.049 4.169 4.120 0.000 0.000 0.291 4700 V C 1.475 177.582 176.094 0.023 0.000 1.039 4700 V CA -0.173 62.166 62.300 0.065 0.000 1.055 4700 V CB 1.235 33.132 31.823 0.123 0.000 0.969 4700 V HN 0.147 nan 8.190 nan 0.000 0.482 4701 K N 3.487 123.887 120.400 -0.001 0.000 2.484 4701 K HA -0.046 4.274 4.320 0.000 0.000 0.280 4701 K C 1.204 177.792 176.600 -0.021 0.000 1.013 4701 K CA -0.136 56.143 56.287 -0.014 0.000 1.029 4701 K CB 0.422 32.906 32.500 -0.027 0.000 0.902 4701 K HN 0.607 nan 8.250 nan 0.000 0.481 4702 K N 2.349 122.741 120.400 -0.014 0.000 2.103 4702 K HA -0.168 4.152 4.320 0.000 0.000 0.207 4702 K C 1.889 178.473 176.600 -0.026 0.000 1.048 4702 K CA 2.047 58.325 56.287 -0.014 0.000 0.930 4702 K CB -0.406 32.089 32.500 -0.008 0.000 0.716 4702 K HN 0.577 nan 8.250 nan 0.000 0.444 4703 S N 0.246 115.927 115.700 -0.030 0.000 2.368 4703 S HA -0.144 4.326 4.470 0.000 0.000 0.225 4703 S C 1.339 175.904 174.600 -0.058 0.000 1.030 4703 S CA 1.654 59.831 58.200 -0.038 0.000 0.999 4703 S CB -0.465 62.714 63.200 -0.035 0.000 0.844 4703 S HN 0.394 nan 8.310 nan 0.000 0.459 4704 D N 0.847 121.204 120.400 -0.072 0.000 2.218 4704 D HA -0.036 4.604 4.640 0.000 0.000 0.204 4704 D C 1.946 178.157 176.300 -0.148 0.000 0.976 4704 D CA 0.795 54.725 54.000 -0.116 0.000 0.853 4704 D CB -0.206 40.519 40.800 -0.125 0.000 0.939 4704 D HN 0.390 nan 8.370 nan 0.000 0.481 4705 M N 0.343 119.883 119.600 -0.101 0.000 2.117 4705 M HA -0.105 4.375 4.480 0.000 0.000 0.262 4705 M C 2.023 178.278 176.300 -0.075 0.000 1.065 4705 M CA 1.012 56.260 55.300 -0.087 0.000 1.114 4705 M CB -0.774 31.807 32.600 -0.032 0.000 1.361 4705 M HN 0.047 nan 8.290 nan 0.000 0.408 4706 E N 0.993 121.158 120.200 -0.059 0.000 2.150 4706 E HA -0.154 4.196 4.350 0.000 0.000 0.193 4706 E C 1.775 178.341 176.600 -0.057 0.000 0.985 4706 E CA 1.039 57.411 56.400 -0.046 0.000 0.814 4706 E CB 0.085 29.765 29.700 -0.034 0.000 0.752 4706 E HN 0.488 nan 8.360 nan 0.000 0.466 4707 K N 0.204 120.557 120.400 -0.077 0.000 2.057 4707 K HA -0.070 4.250 4.320 0.000 0.000 0.206 4707 K C 2.423 178.964 176.600 -0.098 0.000 1.050 4707 K CA 0.999 57.236 56.287 -0.083 0.000 0.935 4707 K CB -0.103 32.338 32.500 -0.099 0.000 0.715 4707 K HN 0.157 nan 8.250 nan 0.000 0.439 4708 L N 0.524 121.661 121.223 -0.144 0.000 2.093 4708 L HA -0.154 4.186 4.340 0.000 0.000 0.208 4708 L C 2.580 179.403 176.870 -0.079 0.000 1.085 4708 L CA 0.940 55.684 54.840 -0.161 0.000 0.755 4708 L CB -0.525 41.359 42.059 -0.292 0.000 0.904 4708 L HN 0.199 nan 8.230 nan 0.000 0.435 4709 A N -0.222 122.563 122.820 -0.057 0.000 1.898 4709 A HA -0.167 4.153 4.320 0.000 0.000 0.216 4709 A C 2.351 179.926 177.584 -0.015 0.000 1.181 4709 A CA 1.350 53.373 52.037 -0.024 0.000 0.620 4709 A CB -0.246 18.743 19.000 -0.019 0.000 0.819 4709 A HN 0.172 nan 8.150 nan 0.000 0.442 4710 K N -0.139 120.248 120.400 -0.022 0.000 2.057 4710 K HA -0.012 4.308 4.320 0.000 0.000 0.206 4710 K C 2.317 178.915 176.600 -0.003 0.000 1.050 4710 K CA 1.289 57.570 56.287 -0.011 0.000 0.935 4710 K CB -0.682 31.809 32.500 -0.016 0.000 0.715 4710 K HN 0.442 nan 8.250 nan 0.000 0.439 4711 A N 1.241 124.051 122.820 -0.016 0.000 1.832 4711 A HA -0.139 4.181 4.320 0.000 0.000 0.214 4711 A C 2.337 179.924 177.584 0.005 0.000 1.200 4711 A CA 2.618 54.649 52.037 -0.009 0.000 0.610 4711 A CB -1.073 17.909 19.000 -0.030 0.000 0.842 4711 A HN 0.475 nan 8.150 nan 0.000 0.444 4712 T N -4.204 110.350 114.554 -0.000 0.000 3.043 4712 T HA 0.364 4.714 4.350 0.000 0.000 0.263 4712 T C 1.420 176.134 174.700 0.025 0.000 1.094 4712 T CA 1.222 63.331 62.100 0.015 0.000 1.127 4712 T CB -0.130 68.752 68.868 0.023 0.000 0.905 4712 T HN 1.862 nan 8.240 nan 0.000 0.490 4713 G N 1.391 110.203 108.800 0.021 0.000 2.147 4713 G HA2 -0.004 3.956 3.960 0.000 0.000 0.244 4713 G HA3 -0.004 3.956 3.960 0.000 0.000 0.244 4713 G C 0.215 175.128 174.900 0.022 0.000 1.005 4713 G CA -0.036 45.078 45.100 0.024 0.000 0.713 4713 G HN 1.171 nan 8.290 nan 0.000 0.515 4714 A N -0.413 122.419 122.820 0.020 0.000 2.371 4714 A HA 0.643 4.963 4.320 0.000 0.000 0.257 4714 A C 0.384 177.979 177.584 0.019 0.000 1.089 4714 A CA 0.279 52.331 52.037 0.026 0.000 0.794 4714 A CB 0.522 19.545 19.000 0.038 0.000 1.029 4714 A HN 0.755 nan 8.150 nan 0.000 0.488 4715 N N 1.276 119.989 118.700 0.022 0.000 2.424 4715 N HA 0.369 5.109 4.740 0.000 0.000 0.271 4715 N C -0.917 174.604 175.510 0.020 0.000 0.985 4715 N CA -0.344 52.716 53.050 0.016 0.000 0.921 4715 N CB 1.275 39.770 38.487 0.015 0.000 1.149 4715 N HN 0.280 nan 8.380 nan 0.000 0.492 4716 V N 4.927 124.850 119.914 0.014 0.000 2.446 4716 V HA 0.148 4.268 4.120 0.000 0.000 0.276 4716 V C 0.479 176.583 176.094 0.016 0.000 1.030 4716 V CA -0.170 62.139 62.300 0.016 0.000 1.033 4716 V CB -0.833 30.995 31.823 0.009 0.000 0.993 4716 V HN 0.579 nan 8.190 nan 0.000 0.477 4717 I N 2.371 122.953 120.570 0.020 0.000 2.603 4717 I HA 0.633 4.803 4.170 0.000 0.000 0.300 4717 I C 0.663 176.790 176.117 0.016 0.000 1.017 4717 I CA 0.108 61.418 61.300 0.016 0.000 1.098 4717 I CB 1.964 39.974 38.000 0.017 0.000 1.279 4717 I HN 0.341 nan 8.210 nan 0.000 0.437 4718 T N 1.392 115.954 114.554 0.013 0.000 2.815 4718 T HA 0.090 4.440 4.350 0.000 0.000 0.244 4718 T C 0.728 175.436 174.700 0.013 0.000 1.040 4718 T CA 0.872 62.980 62.100 0.013 0.000 1.176 4718 T CB -0.259 68.615 68.868 0.010 0.000 0.880 4718 T HN 0.677 nan 8.240 nan 0.000 0.414 4719 N N 1.126 119.833 118.700 0.012 0.000 2.472 4719 N HA 0.239 4.979 4.740 0.000 0.000 0.277 4719 N C 0.873 176.391 175.510 0.012 0.000 1.081 4719 N CA -0.128 52.929 53.050 0.011 0.000 0.973 4719 N CB 0.672 39.165 38.487 0.010 0.000 1.105 4719 N HN 0.175 nan 8.380 nan 0.000 0.470 4720 I N 2.352 122.930 120.570 0.012 0.000 2.361 4720 I HA -0.248 3.922 4.170 0.000 0.000 0.251 4720 I C 2.020 178.143 176.117 0.010 0.000 1.133 4720 I CA 0.856 62.164 61.300 0.012 0.000 1.413 4720 I CB -0.041 37.967 38.000 0.013 0.000 1.073 4720 I HN 0.510 nan 8.210 nan 0.000 0.424 4721 K N 1.388 121.794 120.400 0.010 0.000 2.103 4721 K HA -0.222 4.098 4.320 0.000 0.000 0.207 4721 K C 1.331 177.936 176.600 0.008 0.000 1.048 4721 K CA 1.780 58.073 56.287 0.009 0.000 0.930 4721 K CB -0.231 32.275 32.500 0.009 0.000 0.716 4721 K HN 0.252 nan 8.250 nan 0.000 0.444 4722 D N -0.510 119.895 120.400 0.009 0.000 2.277 4722 D HA -0.029 4.611 4.640 0.000 0.000 0.208 4722 D C -0.171 176.134 176.300 0.009 0.000 0.962 4722 D CA 0.172 54.177 54.000 0.008 0.000 0.865 4722 D CB -0.012 40.793 40.800 0.009 0.000 0.939 4722 D HN 0.089 nan 8.370 nan 0.000 0.510 4723 L N 1.172 122.400 121.223 0.009 0.000 2.601 4723 L HA 0.103 4.443 4.340 0.000 0.000 0.277 4723 L C 0.160 177.034 176.870 0.007 0.000 1.219 4723 L CA 0.310 55.156 54.840 0.009 0.000 0.915 4723 L CB 0.046 42.111 42.059 0.009 0.000 1.160 4723 L HN -0.008 nan 8.230 nan 0.000 0.494 4724 S N 3.293 118.997 115.700 0.008 0.000 2.661 4724 S HA 0.788 5.258 4.470 0.000 0.000 0.285 4724 S C 0.775 175.379 174.600 0.007 0.000 1.138 4724 S CA -0.393 57.811 58.200 0.006 0.000 0.855 4724 S CB 1.270 64.474 63.200 0.006 0.000 1.136 4724 S HN 0.842 nan 8.310 nan 0.000 0.484 4725 A N 0.563 123.386 122.820 0.005 0.000 1.978 4725 A HA -0.083 4.237 4.320 0.000 0.000 0.220 4725 A C 1.992 179.582 177.584 0.009 0.000 1.170 4725 A CA 1.354 53.395 52.037 0.006 0.000 0.636 4725 A CB -0.870 18.133 19.000 0.004 0.000 0.810 4725 A HN 0.736 nan 8.150 nan 0.000 0.448 4726 Q N 0.057 119.862 119.800 0.009 0.000 2.437 4726 Q HA -0.101 4.239 4.340 0.000 0.000 0.210 4726 Q C 0.575 176.583 176.000 0.013 0.000 0.972 4726 Q CA 1.066 56.875 55.803 0.011 0.000 0.903 4726 Q CB -0.215 28.528 28.738 0.009 0.000 0.967 4726 Q HN 0.671 nan 8.270 nan 0.000 0.486 4727 D N -0.408 120.001 120.400 0.014 0.000 2.354 4727 D HA 0.021 4.661 4.640 0.000 0.000 0.209 4727 D C 0.071 176.384 176.300 0.022 0.000 1.015 4727 D CA 0.013 54.023 54.000 0.017 0.000 0.867 4727 D CB 0.464 41.274 40.800 0.016 0.000 0.933 4727 D HN 0.104 nan 8.370 nan 0.000 0.520 4728 L N 0.925 122.161 121.223 0.022 0.000 2.397 4728 L HA 0.370 4.710 4.340 0.000 0.000 0.271 4728 L C 1.218 178.105 176.870 0.030 0.000 1.148 4728 L CA -0.102 54.755 54.840 0.028 0.000 0.825 4728 L CB 1.160 43.232 42.059 0.022 0.000 1.117 4728 L HN -0.176 nan 8.230 nan 0.000 0.456 4729 G N 1.066 109.889 108.800 0.038 0.000 2.491 4729 G HA2 0.555 4.515 3.960 0.000 0.000 0.327 4729 G HA3 0.555 4.515 3.960 0.000 0.000 0.327 4729 G C -1.330 173.593 174.900 0.038 0.000 1.189 4729 G CA -0.414 44.708 45.100 0.037 0.000 0.956 4729 G HN 0.570 nan 8.290 nan 0.000 0.491 4730 D N -0.685 119.735 120.400 0.033 0.000 2.350 4730 D HA 0.651 5.291 4.640 0.000 0.000 0.245 4730 D C -0.199 176.116 176.300 0.026 0.000 1.036 4730 D CA 0.141 54.157 54.000 0.027 0.000 0.848 4730 D CB 2.007 42.818 40.800 0.018 0.000 1.307 4730 D HN 0.611 nan 8.370 nan 0.000 0.469 4731 A N 0.646 123.485 122.820 0.030 0.000 2.488 4731 A HA 0.624 4.944 4.320 0.000 0.000 0.298 4731 A C 0.999 178.598 177.584 0.026 0.000 1.044 4731 A CA -0.498 51.557 52.037 0.031 0.000 0.693 4731 A CB 1.509 20.542 19.000 0.055 0.000 1.272 4731 A HN 0.585 nan 8.150 nan 0.000 0.402 4732 G N 0.620 109.429 108.800 0.015 0.000 2.408 4732 G HA2 0.246 4.206 3.960 0.000 0.000 0.217 4732 G HA3 0.246 4.206 3.960 0.000 0.000 0.217 4732 G C 0.392 175.304 174.900 0.020 0.000 1.150 4732 G CA 0.887 45.993 45.100 0.010 0.000 0.776 4732 G HN 0.612 nan 8.290 nan 0.000 0.542 4733 L N 0.264 121.507 121.223 0.033 0.000 2.436 4733 L HA 0.523 4.863 4.340 0.000 0.000 0.268 4733 L C -1.384 175.532 176.870 0.077 0.000 0.974 4733 L CA -0.806 54.059 54.840 0.043 0.000 0.826 4733 L CB 3.083 45.161 42.059 0.032 0.000 1.291 4733 L HN -0.222 nan 8.230 nan 0.000 0.406 4734 V N 2.465 122.427 119.914 0.080 0.000 2.409 4734 V HA 0.493 4.613 4.120 0.000 0.000 0.290 4734 V C -0.579 175.574 176.094 0.098 0.000 1.017 4734 V CA -0.442 61.929 62.300 0.118 0.000 0.841 4734 V CB 1.834 33.728 31.823 0.119 0.000 1.003 4734 V HN 0.783 nan 8.190 nan 0.000 0.426 4735 E N 3.038 123.321 120.200 0.138 0.000 2.343 4735 E HA 0.395 4.745 4.350 0.000 0.000 0.278 4735 E C -1.156 175.545 176.600 0.167 0.000 0.910 4735 E CA -0.659 55.806 56.400 0.108 0.000 0.757 4735 E CB 2.352 32.086 29.700 0.057 0.000 1.218 4735 E HN 0.747 nan 8.360 nan 0.000 0.435 4736 E N 4.134 124.401 120.200 0.113 0.000 2.152 4736 E HA 0.252 4.602 4.350 0.000 0.000 0.285 4736 E C -0.942 175.725 176.600 0.112 0.000 1.043 4736 E CA -0.256 56.221 56.400 0.127 0.000 0.839 4736 E CB 0.673 30.416 29.700 0.072 0.000 1.069 4736 E HN 0.322 nan 8.360 nan 0.000 0.399 4737 R N 3.669 124.276 120.500 0.178 0.000 2.686 4737 R HA 0.386 4.726 4.340 0.000 0.000 0.286 4737 R C -0.739 175.647 176.300 0.143 0.000 0.969 4737 R CA -0.911 55.252 56.100 0.105 0.000 0.898 4737 R CB 2.009 32.289 30.300 -0.032 0.000 1.183 4737 R HN 0.319 nan 8.270 nan 0.000 0.456 4738 K N 2.420 122.865 120.400 0.076 0.000 2.211 4738 K HA 0.380 4.700 4.320 0.000 0.000 0.275 4738 K C -0.671 175.971 176.600 0.071 0.000 1.024 4738 K CA -0.469 55.862 56.287 0.073 0.000 0.887 4738 K CB 1.098 33.624 32.500 0.043 0.000 1.084 4738 K HN 0.295 nan 8.250 nan 0.000 0.463 4739 I N 2.042 122.666 120.570 0.090 0.000 2.390 4739 I HA 0.069 4.239 4.170 0.000 0.000 0.283 4739 I C -0.029 176.121 176.117 0.054 0.000 1.016 4739 I CA -0.062 61.285 61.300 0.078 0.000 1.151 4739 I CB 1.659 39.731 38.000 0.120 0.000 1.293 4739 I HN 0.594 nan 8.210 nan 0.000 0.458 4740 S N 4.343 120.066 115.700 0.039 0.000 3.698 4740 S HA -0.178 4.292 4.470 0.000 0.000 0.338 4740 S C 1.312 175.929 174.600 0.028 0.000 1.089 4740 S CA 0.976 59.193 58.200 0.030 0.000 0.991 4740 S CB -1.412 61.806 63.200 0.029 0.000 0.909 4740 S HN 1.454 nan 8.310 nan 0.000 0.485 4741 G N 0.641 109.459 108.800 0.029 0.000 2.579 4741 G HA2 -0.287 3.673 3.960 0.000 0.000 0.222 4741 G HA3 -0.287 3.673 3.960 0.000 0.000 0.222 4741 G C -0.351 174.568 174.900 0.032 0.000 1.201 4741 G CA 0.107 45.223 45.100 0.026 0.000 0.710 4741 G HN 0.614 nan 8.290 nan 0.000 0.516 4742 D N 2.483 122.904 120.400 0.034 0.000 2.401 4742 D HA 0.435 5.075 4.640 0.000 0.000 0.254 4742 D C 1.041 177.373 176.300 0.054 0.000 1.192 4742 D CA 0.989 55.011 54.000 0.036 0.000 0.885 4742 D CB 1.236 42.053 40.800 0.030 0.000 1.147 4742 D HN 0.687 nan 8.370 nan 0.000 0.478 4743 S N 2.595 118.326 115.700 0.052 0.000 2.565 4743 S HA 0.584 5.054 4.470 0.000 0.000 0.274 4743 S C 0.104 174.748 174.600 0.074 0.000 1.309 4743 S CA -0.666 57.577 58.200 0.072 0.000 1.043 4743 S CB 1.291 64.525 63.200 0.057 0.000 0.939 4743 S HN 0.397 nan 8.310 nan 0.000 0.504 4744 M N 2.058 121.728 119.600 0.117 0.000 2.593 4744 M HA 0.508 4.988 4.480 0.000 0.000 0.290 4744 M C -1.238 175.136 176.300 0.124 0.000 1.244 4744 M CA -0.593 54.745 55.300 0.064 0.000 0.857 4744 M CB 2.240 34.823 32.600 -0.027 0.000 1.738 4744 M HN 0.566 nan 8.290 nan 0.000 0.461 4745 I N 1.662 122.252 120.570 0.032 0.000 2.339 4745 I HA 0.373 4.543 4.170 0.000 0.000 0.290 4745 I C -1.362 174.752 176.117 -0.005 0.000 0.994 4745 I CA -0.369 61.011 61.300 0.133 0.000 1.191 4745 I CB 0.915 39.042 38.000 0.210 0.000 1.343 4745 I HN 0.425 nan 8.210 nan 0.000 0.458 4746 F N 5.910 125.905 119.950 0.075 0.000 2.405 4746 F HA 0.365 4.892 4.527 0.000 0.000 0.355 4746 F C 0.193 176.036 175.800 0.071 0.000 1.121 4746 F CA -0.735 57.297 58.000 0.053 0.000 1.112 4746 F CB 1.377 40.397 39.000 0.032 0.000 1.126 4746 F HN 0.031 nan 8.300 nan 0.000 0.481 4747 V N 4.353 124.369 119.914 0.170 0.000 2.275 4747 V HA 0.316 4.436 4.120 0.000 0.000 0.272 4747 V C -0.304 175.850 176.094 0.099 0.000 1.028 4747 V CA -0.579 61.800 62.300 0.131 0.000 0.810 4747 V CB 0.252 32.117 31.823 0.070 0.000 1.043 4747 V HN 0.806 nan 8.190 nan 0.000 0.453 4748 E N 2.999 123.265 120.200 0.110 0.000 2.378 4748 E HA 0.679 5.029 4.350 0.000 0.000 0.265 4748 E C -0.618 176.010 176.600 0.046 0.000 0.932 4748 E CA -0.888 55.561 56.400 0.082 0.000 0.795 4748 E CB 1.702 31.465 29.700 0.106 0.000 1.296 4748 E HN 0.208 nan 8.360 nan 0.000 0.438 4749 E N -0.840 119.375 120.200 0.025 0.000 2.596 4749 E HA -0.147 4.203 4.350 0.000 0.000 0.272 4749 E C -0.663 175.929 176.600 -0.014 0.000 1.039 4749 E CA 0.513 56.914 56.400 0.001 0.000 0.804 4749 E CB -2.240 27.462 29.700 0.002 0.000 1.373 4749 E HN 0.597 nan 8.360 nan 0.000 0.404 4750 C N 0.713 120.006 119.300 -0.012 0.000 2.689 4750 C HA 0.068 4.528 4.460 0.000 0.000 0.409 4750 C C 2.296 177.239 174.990 -0.079 0.000 1.293 4750 C CA -0.078 58.925 59.018 -0.024 0.000 2.136 4750 C CB 0.444 28.179 27.740 -0.007 0.000 2.719 4750 C HN 0.384 nan 8.230 nan 0.000 0.644 4751 K N 0.618 120.954 120.400 -0.107 0.000 1.969 4751 K HA -0.090 4.230 4.320 0.000 0.000 0.216 4751 K C 0.416 176.715 176.600 -0.502 0.000 1.048 4751 K CA 1.380 57.499 56.287 -0.279 0.000 0.948 4751 K CB -0.088 32.303 32.500 -0.182 0.000 0.726 4751 K HN 0.686 nan 8.250 nan 0.000 0.442 4752 H N 0.194 119.268 119.070 0.006 0.000 2.488 4752 H HA 0.240 4.796 4.556 -0.000 0.000 0.237 4752 H C -2.535 172.794 175.328 0.001 0.000 1.395 4752 H CA -1.997 54.053 56.048 0.003 0.000 1.491 4752 H CB 0.751 30.515 29.762 0.002 0.000 1.567 4752 H HN 0.193 nan 8.280 nan 0.000 0.508 4753 P HA 0.133 nan 4.420 nan 0.000 0.275 4753 P C 0.267 177.591 177.300 0.040 0.000 1.227 4753 P CA -0.512 62.610 63.100 0.038 0.000 0.781 4753 P CB 1.807 33.515 31.700 0.014 0.000 0.906 4754 K N 0.665 121.079 120.400 0.024 0.000 2.374 4754 K HA 0.450 4.770 4.320 0.000 0.000 0.202 4754 K C 0.282 176.884 176.600 0.002 0.000 1.040 4754 K CA 0.038 56.334 56.287 0.015 0.000 1.085 4754 K CB 0.696 33.203 32.500 0.011 0.000 0.873 4754 K HN 0.534 nan 8.250 nan 0.000 0.539 4755 A N 0.522 123.340 122.820 -0.004 0.000 2.449 4755 A HA 0.686 5.006 4.320 0.000 0.000 0.302 4755 A C -0.901 176.675 177.584 -0.014 0.000 1.048 4755 A CA -0.771 51.257 52.037 -0.015 0.000 0.708 4755 A CB 1.252 20.234 19.000 -0.030 0.000 1.274 4755 A HN -0.004 nan 8.150 nan 0.000 0.410 4756 V N -1.153 118.752 119.914 -0.014 0.000 3.074 4756 V HA 0.978 5.098 4.120 0.000 0.000 0.314 4756 V C -0.427 175.655 176.094 -0.020 0.000 1.117 4756 V CA -0.587 61.708 62.300 -0.010 0.000 1.014 4756 V CB 1.659 33.483 31.823 0.002 0.000 1.057 4756 V HN 0.880 nan 8.190 nan 0.000 0.438 4757 T N 3.294 117.839 114.554 -0.016 0.000 2.886 4757 T HA 0.632 4.982 4.350 0.000 0.000 0.292 4757 T C -0.558 174.140 174.700 -0.003 0.000 1.012 4757 T CA -0.352 61.731 62.100 -0.028 0.000 0.982 4757 T CB 1.493 70.320 68.868 -0.068 0.000 1.018 4757 T HN 0.748 nan 8.240 nan 0.000 0.451 4758 M N 3.403 123.001 119.600 -0.005 0.000 2.072 4758 M HA 0.382 4.862 4.480 0.000 0.000 0.331 4758 M C -0.954 175.353 176.300 0.011 0.000 1.004 4758 M CA -0.905 54.403 55.300 0.013 0.000 0.952 4758 M CB 1.321 33.927 32.600 0.010 0.000 1.511 4758 M HN 0.343 nan 8.290 nan 0.000 0.422 4759 L N 5.788 127.032 121.223 0.036 0.000 2.315 4759 L HA 0.465 4.805 4.340 0.000 0.000 0.283 4759 L C -0.796 176.100 176.870 0.042 0.000 1.089 4759 L CA 0.251 55.116 54.840 0.042 0.000 0.833 4759 L CB 0.248 42.370 42.059 0.105 0.000 1.170 4759 L HN 0.557 nan 8.230 nan 0.000 0.442 4760 I N 6.030 126.616 120.570 0.026 0.000 2.331 4760 I HA 0.391 4.561 4.170 0.000 0.000 0.292 4760 I C 0.335 176.469 176.117 0.027 0.000 0.998 4760 I CA -0.420 60.894 61.300 0.023 0.000 1.267 4760 I CB 0.733 38.741 38.000 0.013 0.000 1.386 4760 I HN 0.610 nan 8.210 nan 0.000 0.476 4761 R N 3.702 124.219 120.500 0.029 0.000 2.828 4761 R HA 0.896 5.236 4.340 0.000 0.000 0.264 4761 R C -0.350 175.964 176.300 0.024 0.000 1.022 4761 R CA -0.969 55.148 56.100 0.028 0.000 1.021 4761 R CB 2.206 32.525 30.300 0.031 0.000 1.163 4761 R HN 0.843 nan 8.270 nan 0.000 0.494 4762 G N -0.773 108.042 108.800 0.024 0.000 2.340 4762 G HA2 0.032 3.992 3.960 0.000 0.000 0.298 4762 G HA3 0.032 3.992 3.960 0.000 0.000 0.298 4762 G C 0.034 174.950 174.900 0.027 0.000 1.498 4762 G CA -0.677 44.438 45.100 0.025 0.000 0.847 4762 G HN 0.398 nan 8.290 nan 0.000 0.594 4763 T N 0.343 114.914 114.554 0.028 0.000 2.881 4763 T HA 0.158 4.508 4.350 0.000 0.000 0.270 4763 T C 0.919 175.639 174.700 0.035 0.000 1.068 4763 T CA 2.098 64.215 62.100 0.028 0.000 1.131 4763 T CB -0.179 68.704 68.868 0.025 0.000 0.871 4763 T HN 0.674 nan 8.240 nan 0.000 0.479 4764 T N 0.174 114.755 114.554 0.045 0.000 2.868 4764 T HA 0.230 4.580 4.350 0.000 0.000 0.306 4764 T C 0.359 175.099 174.700 0.067 0.000 1.224 4764 T CA -0.798 61.341 62.100 0.065 0.000 1.012 4764 T CB 2.435 71.352 68.868 0.082 0.000 1.221 4764 T HN -0.179 nan 8.240 nan 0.000 0.499 4765 E N 0.648 120.888 120.200 0.066 0.000 2.097 4765 E HA -0.180 4.170 4.350 0.000 0.000 0.196 4765 E C 1.566 178.140 176.600 -0.044 0.000 1.000 4765 E CA 1.822 58.221 56.400 -0.002 0.000 0.804 4765 E CB -0.107 29.569 29.700 -0.040 0.000 0.740 4765 E HN 0.605 nan 8.360 nan 0.000 0.454 4766 H N -0.492 118.582 119.070 0.007 0.000 2.457 4766 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 4766 H C 2.121 177.453 175.328 0.007 0.000 1.064 4766 H CA 0.957 57.008 56.048 0.006 0.000 1.330 4766 H CB 0.112 29.877 29.762 0.005 0.000 1.395 4766 H HN -0.061 nan 8.280 nan 0.000 0.541 4767 V N 1.280 121.266 119.914 0.120 0.000 2.323 4767 V HA -0.195 3.925 4.120 0.000 0.000 0.244 4767 V C 2.321 178.439 176.094 0.042 0.000 1.041 4767 V CA 1.806 64.148 62.300 0.070 0.000 1.025 4767 V CB -0.472 31.384 31.823 0.055 0.000 0.656 4767 V HN 0.544 nan 8.190 nan 0.000 0.451 4768 I N -1.723 118.864 120.570 0.029 0.000 2.830 4768 I HA -0.099 4.071 4.170 0.000 0.000 0.263 4768 I C 2.109 178.227 176.117 0.000 0.000 1.230 4768 I CA 1.428 62.736 61.300 0.013 0.000 1.480 4768 I CB -0.579 37.426 38.000 0.008 0.000 1.095 4768 I HN 0.303 nan 8.210 nan 0.000 0.455 4769 E N 1.488 121.683 120.200 -0.009 0.000 2.072 4769 E HA -0.247 4.103 4.350 0.000 0.000 0.191 4769 E C 2.010 178.611 176.600 0.001 0.000 0.985 4769 E CA 1.475 57.863 56.400 -0.021 0.000 0.801 4769 E CB 0.008 29.676 29.700 -0.054 0.000 0.750 4769 E HN 0.559 nan 8.360 nan 0.000 0.452 4770 E N 0.604 120.816 120.200 0.019 0.000 2.106 4770 E HA -0.130 4.220 4.350 0.000 0.000 0.192 4770 E C 1.929 178.540 176.600 0.019 0.000 0.984 4770 E CA 0.805 57.219 56.400 0.023 0.000 0.806 4770 E CB 0.027 29.747 29.700 0.034 0.000 0.750 4770 E HN 0.003 nan 8.360 nan 0.000 0.458 4771 V N 0.950 120.875 119.914 0.019 0.000 2.343 4771 V HA -0.240 3.880 4.120 0.000 0.000 0.247 4771 V C 2.404 178.505 176.094 0.011 0.000 1.051 4771 V CA 1.743 64.053 62.300 0.017 0.000 1.036 4771 V CB -0.956 30.877 31.823 0.018 0.000 0.654 4771 V HN 0.474 nan 8.190 nan 0.000 0.451 4772 A N -0.124 122.699 122.820 0.006 0.000 1.940 4772 A HA -0.202 4.118 4.320 0.000 0.000 0.219 4772 A C 2.354 179.939 177.584 0.002 0.000 1.176 4772 A CA 1.500 53.537 52.037 0.000 0.000 0.631 4772 A CB -0.409 18.587 19.000 -0.007 0.000 0.814 4772 A HN 0.416 nan 8.150 nan 0.000 0.446 4773 R N -0.580 119.923 120.500 0.004 0.000 2.115 4773 R HA 0.047 4.387 4.340 0.000 0.000 0.226 4773 R C 2.388 178.694 176.300 0.009 0.000 1.100 4773 R CA 1.208 57.311 56.100 0.006 0.000 0.980 4773 R CB -0.939 29.365 30.300 0.007 0.000 0.875 4773 R HN 0.527 nan 8.270 nan 0.000 0.445 4774 A N 1.162 123.989 122.820 0.013 0.000 1.898 4774 A HA -0.116 4.204 4.320 0.000 0.000 0.216 4774 A C 2.270 179.863 177.584 0.015 0.000 1.181 4774 A CA 1.798 53.845 52.037 0.017 0.000 0.620 4774 A CB -0.521 18.491 19.000 0.021 0.000 0.819 4774 A HN 0.209 nan 8.150 nan 0.000 0.442 4775 V N -2.492 117.429 119.914 0.012 0.000 2.951 4775 V HA -0.050 4.070 4.120 0.000 0.000 0.255 4775 V C 1.834 177.932 176.094 0.007 0.000 1.088 4775 V CA 2.092 64.397 62.300 0.010 0.000 1.109 4775 V CB -0.544 31.284 31.823 0.009 0.000 0.724 4775 V HN 0.392 nan 8.190 nan 0.000 0.471 4776 D N 1.236 121.639 120.400 0.005 0.000 2.117 4776 D HA -0.164 4.476 4.640 0.000 0.000 0.198 4776 D C 1.764 178.067 176.300 0.005 0.000 0.982 4776 D CA 1.726 55.727 54.000 0.002 0.000 0.828 4776 D CB -0.133 40.667 40.800 0.001 0.000 0.967 4776 D HN 0.488 nan 8.370 nan 0.000 0.464 4777 D N -0.298 120.106 120.400 0.007 0.000 2.103 4777 D HA -0.019 4.621 4.640 0.000 0.000 0.199 4777 D C 1.954 178.261 176.300 0.010 0.000 0.978 4777 D CA 1.385 55.390 54.000 0.009 0.000 0.829 4777 D CB -0.471 40.335 40.800 0.011 0.000 0.981 4777 D HN 0.241 nan 8.370 nan 0.000 0.464 4778 A N 0.648 123.475 122.820 0.012 0.000 1.877 4778 A HA -0.128 4.192 4.320 0.000 0.000 0.216 4778 A C 2.380 179.970 177.584 0.010 0.000 1.186 4778 A CA 1.284 53.329 52.037 0.013 0.000 0.620 4778 A CB -0.904 18.105 19.000 0.015 0.000 0.822 4778 A HN 0.181 nan 8.150 nan 0.000 0.443 4779 V N -0.020 119.898 119.914 0.008 0.000 2.759 4779 V HA -0.082 4.038 4.120 0.000 0.000 0.256 4779 V C 2.300 178.397 176.094 0.006 0.000 1.080 4779 V CA 2.092 64.396 62.300 0.006 0.000 1.101 4779 V CB -0.680 31.146 31.823 0.004 0.000 0.698 4779 V HN 0.570 nan 8.190 nan 0.000 0.477 4780 G N -0.123 108.680 108.800 0.006 0.000 2.404 4780 G HA2 -0.177 3.783 3.960 0.000 0.000 0.214 4780 G HA3 -0.177 3.783 3.960 0.000 0.000 0.214 4780 G C 1.618 176.523 174.900 0.007 0.000 1.189 4780 G CA 1.331 46.434 45.100 0.006 0.000 0.789 4780 G HN 0.661 nan 8.290 nan 0.000 0.533 4781 V N -1.064 118.855 119.914 0.009 0.000 2.809 4781 V HA -0.006 4.114 4.120 0.000 0.000 0.256 4781 V C 2.630 178.729 176.094 0.010 0.000 1.080 4781 V CA 1.121 63.427 62.300 0.010 0.000 1.102 4781 V CB -0.424 31.407 31.823 0.012 0.000 0.705 4781 V HN 0.118 nan 8.190 nan 0.000 0.475 4782 V N 2.102 122.022 119.914 0.009 0.000 2.407 4782 V HA -0.080 4.040 4.120 0.000 0.000 0.248 4782 V C 2.849 178.948 176.094 0.007 0.000 1.055 4782 V CA 2.317 64.622 62.300 0.008 0.000 1.049 4782 V CB -1.322 30.505 31.823 0.008 0.000 0.662 4782 V HN 0.629 nan 8.190 nan 0.000 0.455 4783 G N -1.460 107.344 108.800 0.007 0.000 2.403 4783 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 4783 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 4783 G C 1.717 176.621 174.900 0.006 0.000 1.154 4783 G CA 1.142 46.246 45.100 0.005 0.000 0.784 4783 G HN 0.529 nan 8.290 nan 0.000 0.538 4784 C N 0.569 119.873 119.300 0.007 0.000 2.425 4784 C HA -0.015 4.445 4.460 0.000 0.000 0.277 4784 C C 3.192 178.187 174.990 0.007 0.000 1.280 4784 C CA 1.536 60.559 59.018 0.007 0.000 1.744 4784 C CB -0.917 26.828 27.740 0.008 0.000 1.989 4784 C HN 0.412 nan 8.230 nan 0.000 0.491 4785 T N 0.963 115.522 114.554 0.008 0.000 2.951 4785 T HA 0.024 4.374 4.350 0.000 0.000 0.268 4785 T C 1.553 176.256 174.700 0.006 0.000 1.073 4785 T CA 0.958 63.062 62.100 0.008 0.000 1.134 4785 T CB -0.196 68.677 68.868 0.008 0.000 0.884 4785 T HN 0.497 nan 8.240 nan 0.000 0.479 4786 I N 0.745 121.318 120.570 0.006 0.000 2.439 4786 I HA -0.078 4.092 4.170 0.000 0.000 0.251 4786 I C 2.467 178.587 176.117 0.004 0.000 1.139 4786 I CA 1.191 62.494 61.300 0.005 0.000 1.438 4786 I CB -0.201 37.802 38.000 0.005 0.000 1.085 4786 I HN 0.298 nan 8.210 nan 0.000 0.427 4787 E N 0.124 120.327 120.200 0.005 0.000 2.086 4787 E HA -0.047 4.303 4.350 0.000 0.000 0.190 4787 E C 0.004 176.607 176.600 0.004 0.000 0.975 4787 E CA 0.661 57.064 56.400 0.004 0.000 0.813 4787 E CB 0.280 29.983 29.700 0.004 0.000 0.768 4787 E HN 0.328 nan 8.360 nan 0.000 0.457 4788 D N -0.133 120.270 120.400 0.005 0.000 2.453 4788 D HA 0.147 4.787 4.640 0.000 0.000 0.238 4788 D C 0.022 176.326 176.300 0.006 0.000 1.088 4788 D CA -0.122 53.882 54.000 0.006 0.000 0.854 4788 D CB 1.602 42.407 40.800 0.007 0.000 1.076 4788 D HN 0.107 nan 8.370 nan 0.000 0.533 4789 G N 2.169 110.972 108.800 0.005 0.000 3.279 4789 G HA2 -0.030 3.930 3.960 0.000 0.000 0.230 4789 G HA3 -0.030 3.930 3.960 0.000 0.000 0.230 4789 G C 0.711 175.615 174.900 0.006 0.000 1.230 4789 G CA -0.037 45.066 45.100 0.005 0.000 0.891 4789 G HN 0.074 nan 8.290 nan 0.000 0.518 4790 R N -0.299 120.205 120.500 0.007 0.000 2.589 4790 R HA 0.741 5.081 4.340 0.000 0.000 0.293 4790 R C -0.855 175.451 176.300 0.010 0.000 0.963 4790 R CA -0.647 55.458 56.100 0.008 0.000 0.905 4790 R CB 1.873 32.178 30.300 0.007 0.000 1.144 4790 R HN 0.172 nan 8.270 nan 0.000 0.459 4791 I N 2.416 122.992 120.570 0.011 0.000 2.828 4791 I HA 0.642 4.812 4.170 0.000 0.000 0.302 4791 I C -1.097 175.029 176.117 0.016 0.000 1.101 4791 I CA -1.114 60.194 61.300 0.013 0.000 1.031 4791 I CB 2.015 40.023 38.000 0.013 0.000 1.231 4791 I HN 0.472 nan 8.210 nan 0.000 0.427 4792 V N 2.383 122.308 119.914 0.018 0.000 2.914 4792 V HA 0.669 4.789 4.120 0.000 0.000 0.314 4792 V C -0.105 176.004 176.094 0.025 0.000 1.084 4792 V CA -0.615 61.699 62.300 0.022 0.000 0.963 4792 V CB 1.382 33.218 31.823 0.023 0.000 1.025 4792 V HN 0.811 nan 8.190 nan 0.000 0.432 4793 S N 2.206 117.925 115.700 0.031 0.000 2.562 4793 S HA 0.634 5.104 4.470 0.000 0.000 0.281 4793 S C 0.525 175.145 174.600 0.033 0.000 1.333 4793 S CA 0.185 58.406 58.200 0.035 0.000 1.052 4793 S CB 0.781 64.006 63.200 0.043 0.000 0.884 4793 S HN 1.775 nan 8.310 nan 0.000 0.506 4794 G N 0.424 109.245 108.800 0.035 0.000 2.782 4794 G HA2 0.566 4.527 3.960 0.000 0.000 0.201 4794 G HA3 0.566 4.527 3.960 0.000 0.000 0.201 4794 G C 0.860 175.779 174.900 0.031 0.000 1.374 4794 G CA -0.559 44.559 45.100 0.031 0.000 1.039 4794 G HN 2.024 nan 8.290 nan 0.000 0.576 4795 G N -1.845 106.971 108.800 0.028 0.000 2.225 4795 G HA2 0.242 4.202 3.960 0.000 0.000 0.267 4795 G HA3 0.242 4.202 3.960 0.000 0.000 0.267 4795 G C 1.456 176.357 174.900 0.003 0.000 1.024 4795 G CA 1.217 46.328 45.100 0.019 0.000 0.784 4795 G HN 2.470 nan 8.290 nan 0.000 0.507 4796 G N -1.451 107.346 108.800 -0.005 0.000 2.162 4796 G HA2 -0.122 3.838 3.960 0.000 0.000 0.260 4796 G HA3 -0.122 3.838 3.960 0.000 0.000 0.260 4796 G C 1.486 176.372 174.900 -0.023 0.000 0.976 4796 G CA 1.680 46.768 45.100 -0.020 0.000 0.655 4796 G HN 1.973 nan 8.290 nan 0.000 0.533 4797 S N 0.047 115.747 115.700 -0.001 0.000 2.368 4797 S HA -0.164 4.306 4.470 0.000 0.000 0.225 4797 S C 2.807 177.394 174.600 -0.022 0.000 1.030 4797 S CA 2.756 60.962 58.200 0.010 0.000 0.999 4797 S CB -0.580 62.651 63.200 0.052 0.000 0.844 4797 S HN 1.375 nan 8.310 nan 0.000 0.459 4798 T N 0.120 114.668 114.554 -0.010 0.000 2.614 4798 T HA -0.101 4.249 4.350 0.000 0.000 0.263 4798 T C 1.573 176.241 174.700 -0.054 0.000 1.055 4798 T CA 1.636 63.727 62.100 -0.016 0.000 1.162 4798 T CB -1.079 67.790 68.868 0.001 0.000 0.863 4798 T HN 0.425 nan 8.240 nan 0.000 0.414 4799 E N 1.028 121.198 120.200 -0.050 0.000 2.187 4799 E HA -0.094 4.256 4.350 0.000 0.000 0.199 4799 E C 2.284 178.824 176.600 -0.100 0.000 1.004 4799 E CA 1.083 57.444 56.400 -0.064 0.000 0.813 4799 E CB -0.862 28.801 29.700 -0.063 0.000 0.736 4799 E HN 0.421 nan 8.360 nan 0.000 0.468 4800 V N 1.003 120.833 119.914 -0.139 0.000 2.307 4800 V HA -0.232 3.888 4.120 0.000 0.000 0.245 4800 V C 2.386 178.251 176.094 -0.382 0.000 1.045 4800 V CA 1.873 64.039 62.300 -0.224 0.000 1.024 4800 V CB -0.447 31.237 31.823 -0.232 0.000 0.651 4800 V HN 0.301 nan 8.190 nan 0.000 0.449 4801 E N 0.325 120.241 120.200 -0.474 0.000 2.118 4801 E HA -0.207 4.143 4.350 0.000 0.000 0.195 4801 E C 2.155 178.676 176.600 -0.131 0.000 0.992 4801 E CA 1.491 57.639 56.400 -0.419 0.000 0.804 4801 E CB -0.145 29.503 29.700 -0.087 0.000 0.741 4801 E HN 0.586 nan 8.360 nan 0.000 0.458 4802 L N 0.151 121.326 121.223 -0.081 0.000 2.027 4802 L HA -0.138 4.202 4.340 0.000 0.000 0.206 4802 L C 2.860 179.739 176.870 0.015 0.000 1.074 4802 L CA 1.299 56.138 54.840 -0.002 0.000 0.745 4802 L CB -0.578 41.498 42.059 0.029 0.000 0.898 4802 L HN 0.105 nan 8.230 nan 0.000 0.433 4803 S N -0.455 115.229 115.700 -0.027 0.000 2.368 4803 S HA -0.173 4.297 4.470 0.000 0.000 0.225 4803 S C 2.137 176.736 174.600 -0.001 0.000 1.030 4803 S CA 1.104 59.297 58.200 -0.011 0.000 0.999 4803 S CB -0.005 63.169 63.200 -0.044 0.000 0.844 4803 S HN 0.195 nan 8.310 nan 0.000 0.459 4804 M N 0.959 120.540 119.600 -0.032 0.000 2.086 4804 M HA -0.019 4.461 4.480 0.000 0.000 0.261 4804 M C 2.243 178.567 176.300 0.039 0.000 1.067 4804 M CA 1.649 56.952 55.300 0.005 0.000 1.116 4804 M CB -1.255 31.351 32.600 0.011 0.000 1.348 4804 M HN 0.266 nan 8.290 nan 0.000 0.407 4805 K N 0.671 121.094 120.400 0.038 0.000 2.062 4805 K HA 0.013 4.333 4.320 0.000 0.000 0.205 4805 K C 1.893 178.539 176.600 0.076 0.000 1.051 4805 K CA 0.995 57.309 56.287 0.045 0.000 0.941 4805 K CB -0.322 32.188 32.500 0.017 0.000 0.719 4805 K HN 0.263 nan 8.250 nan 0.000 0.440 4806 L N 0.249 121.527 121.223 0.092 0.000 2.275 4806 L HA -0.059 4.281 4.340 0.000 0.000 0.215 4806 L C 2.357 179.311 176.870 0.140 0.000 1.119 4806 L CA 0.875 55.815 54.840 0.165 0.000 0.790 4806 L CB -0.265 41.899 42.059 0.175 0.000 0.919 4806 L HN 0.153 nan 8.230 nan 0.000 0.443 4807 R N 0.015 120.567 120.500 0.088 0.000 2.081 4807 R HA -0.200 4.140 4.340 0.000 0.000 0.235 4807 R C 2.186 178.524 176.300 0.064 0.000 1.131 4807 R CA 1.510 57.645 56.100 0.058 0.000 0.960 4807 R CB -0.176 30.147 30.300 0.038 0.000 0.856 4807 R HN 0.376 nan 8.270 nan 0.000 0.436 4808 E N -0.250 120.000 120.200 0.082 0.000 2.152 4808 E HA -0.202 4.148 4.350 0.000 0.000 0.192 4808 E C 1.589 178.270 176.600 0.136 0.000 0.983 4808 E CA 0.698 57.149 56.400 0.085 0.000 0.818 4808 E CB -0.014 29.730 29.700 0.074 0.000 0.758 4808 E HN 0.253 nan 8.360 nan 0.000 0.467 4809 Y N 0.931 121.227 120.300 -0.007 0.000 2.181 4809 Y HA -0.137 4.413 4.550 0.000 0.000 0.288 4809 Y C 2.051 177.938 175.900 -0.022 0.000 1.146 4809 Y CA 1.268 59.357 58.100 -0.018 0.000 1.164 4809 Y CB -0.825 37.617 38.460 -0.030 0.000 0.982 4809 Y HN 0.130 nan 8.280 nan 0.000 0.515 4810 A N 0.155 122.957 122.820 -0.030 0.000 1.908 4810 A HA -0.180 4.140 4.320 0.000 0.000 0.218 4810 A C 2.145 179.682 177.584 -0.079 0.000 1.181 4810 A CA 1.893 53.864 52.037 -0.110 0.000 0.627 4810 A CB -0.524 18.449 19.000 -0.045 0.000 0.818 4810 A HN 0.478 nan 8.150 nan 0.000 0.445 4811 E N -0.568 119.620 120.200 -0.021 0.000 2.106 4811 E HA -0.105 4.245 4.350 0.000 0.000 0.192 4811 E C 2.175 178.768 176.600 -0.013 0.000 0.984 4811 E CA 1.104 57.498 56.400 -0.009 0.000 0.806 4811 E CB -0.639 29.069 29.700 0.013 0.000 0.750 4811 E HN 0.591 nan 8.360 nan 0.000 0.458 4812 G N 1.106 109.907 108.800 0.002 0.000 2.403 4812 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 4812 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 4812 G C 1.748 176.625 174.900 -0.039 0.000 1.154 4812 G CA 0.289 45.398 45.100 0.015 0.000 0.784 4812 G HN 0.152 nan 8.290 nan 0.000 0.538 4813 I N -0.173 120.318 120.570 -0.132 0.000 2.202 4813 I HA -0.013 4.157 4.170 0.000 0.000 0.242 4813 I C 1.739 177.795 176.117 -0.102 0.000 1.091 4813 I CA 0.763 61.958 61.300 -0.176 0.000 1.368 4813 I CB -0.281 37.519 38.000 -0.334 0.000 1.058 4813 I HN 0.314 nan 8.210 nan 0.000 0.410 4814 S N -1.118 114.530 115.700 -0.087 0.000 3.443 4814 S HA -0.141 4.329 4.470 0.000 0.000 0.635 4814 S C 0.560 175.130 174.600 -0.049 0.000 2.555 4814 S CA 0.867 59.036 58.200 -0.052 0.000 2.778 4814 S CB -1.385 61.794 63.200 -0.034 0.000 0.331 4814 S HN 1.357 nan 8.310 nan 0.000 1.765 4815 G N 0.783 109.564 108.800 -0.030 0.000 2.547 4815 G HA2 -0.319 3.641 3.960 0.000 0.000 0.271 4815 G HA3 -0.319 3.641 3.960 0.000 0.000 0.271 4815 G C 0.366 175.256 174.900 -0.016 0.000 1.209 4815 G CA 1.068 46.155 45.100 -0.022 0.000 0.959 4815 G HN 1.148 nan 8.290 nan 0.000 0.563 4816 R N 0.572 121.066 120.500 -0.010 0.000 2.127 4816 R HA 0.135 4.475 4.340 0.000 0.000 0.217 4816 R C 2.483 178.785 176.300 0.003 0.000 1.074 4816 R CA 1.509 57.612 56.100 0.005 0.000 0.991 4816 R CB -0.189 30.122 30.300 0.018 0.000 0.895 4816 R HN 0.603 nan 8.270 nan 0.000 0.450 4817 E N 1.268 121.457 120.200 -0.018 0.000 2.204 4817 E HA -0.236 4.114 4.350 0.000 0.000 0.195 4817 E C 1.985 178.551 176.600 -0.057 0.000 0.990 4817 E CA 1.419 57.799 56.400 -0.034 0.000 0.821 4817 E CB -0.093 29.563 29.700 -0.072 0.000 0.750 4817 E HN 0.469 nan 8.360 nan 0.000 0.477 4818 Q N 0.199 119.962 119.800 -0.062 0.000 2.170 4818 Q HA -0.168 4.172 4.340 0.000 0.000 0.203 4818 Q C 1.717 177.697 176.000 -0.033 0.000 0.976 4818 Q CA 1.043 56.804 55.803 -0.069 0.000 0.858 4818 Q CB -0.209 28.496 28.738 -0.054 0.000 0.907 4818 Q HN 0.205 nan 8.270 nan 0.000 0.433 4819 L N 1.071 122.291 121.223 -0.004 0.000 2.109 4819 L HA -0.014 4.326 4.340 0.000 0.000 0.207 4819 L C 2.532 179.431 176.870 0.048 0.000 1.086 4819 L CA 1.866 56.719 54.840 0.022 0.000 0.760 4819 L CB -0.979 41.101 42.059 0.034 0.000 0.910 4819 L HN 0.393 nan 8.230 nan 0.000 0.437 4820 A N -1.326 121.535 122.820 0.069 0.000 1.929 4820 A HA -0.093 4.227 4.320 0.000 0.000 0.216 4820 A C 2.320 179.856 177.584 -0.079 0.000 1.176 4820 A CA 1.544 53.673 52.037 0.153 0.000 0.628 4820 A CB -0.737 18.411 19.000 0.247 0.000 0.816 4820 A HN 0.191 nan 8.150 nan 0.000 0.444 4821 V N 0.001 119.856 119.914 -0.098 0.000 2.427 4821 V HA -0.190 3.930 4.120 0.000 0.000 0.248 4821 V C 2.635 178.699 176.094 -0.050 0.000 1.051 4821 V CA 2.194 64.411 62.300 -0.139 0.000 1.048 4821 V CB -0.781 30.941 31.823 -0.168 0.000 0.666 4821 V HN 0.599 nan 8.190 nan 0.000 0.456 4822 R N 1.207 121.689 120.500 -0.030 0.000 2.081 4822 R HA -0.061 4.279 4.340 0.000 0.000 0.235 4822 R C 2.154 178.453 176.300 -0.003 0.000 1.131 4822 R CA 1.852 57.951 56.100 -0.003 0.000 0.960 4822 R CB -0.921 29.380 30.300 0.002 0.000 0.856 4822 R HN 0.435 nan 8.270 nan 0.000 0.436 4823 A N -0.505 122.312 122.820 -0.005 0.000 1.930 4823 A HA -0.120 4.200 4.320 0.000 0.000 0.217 4823 A C 2.161 179.701 177.584 -0.074 0.000 1.175 4823 A CA 1.335 53.381 52.037 0.015 0.000 0.627 4823 A CB -0.820 18.269 19.000 0.149 0.000 0.815 4823 A HN 0.481 nan 8.150 nan 0.000 0.443 4824 F N 0.879 120.568 119.950 -0.434 0.000 2.075 4824 F HA -0.063 4.464 4.527 0.000 0.000 0.297 4824 F C 2.553 178.237 175.800 -0.194 0.000 1.113 4824 F CA 1.534 59.246 58.000 -0.481 0.000 1.218 4824 F CB -0.348 38.263 39.000 -0.649 0.000 0.984 4824 F HN 0.244 nan 8.300 nan 0.000 0.472 4825 A N -0.156 122.725 122.820 0.103 0.000 1.933 4825 A HA -0.188 4.132 4.320 0.000 0.000 0.218 4825 A C 1.892 179.449 177.584 -0.046 0.000 1.175 4825 A CA 2.008 54.083 52.037 0.064 0.000 0.628 4825 A CB -0.963 18.093 19.000 0.093 0.000 0.814 4825 A HN 0.463 nan 8.150 nan 0.000 0.444 4826 D N -0.053 120.320 120.400 -0.046 0.000 2.149 4826 D HA 0.022 4.662 4.640 0.000 0.000 0.201 4826 D C 2.187 178.440 176.300 -0.078 0.000 0.972 4826 D CA 1.347 55.318 54.000 -0.048 0.000 0.835 4826 D CB -0.367 40.419 40.800 -0.024 0.000 0.966 4826 D HN 0.416 nan 8.370 nan 0.000 0.476 4827 A N 0.474 123.224 122.820 -0.117 0.000 1.969 4827 A HA -0.116 4.204 4.320 0.000 0.000 0.218 4827 A C 2.019 179.497 177.584 -0.177 0.000 1.169 4827 A CA 0.761 52.716 52.037 -0.137 0.000 0.635 4827 A CB -0.528 18.380 19.000 -0.154 0.000 0.810 4827 A HN 0.139 nan 8.150 nan 0.000 0.445 4828 L N 0.274 121.352 121.223 -0.242 0.000 2.191 4828 L HA -0.139 4.201 4.340 0.000 0.000 0.212 4828 L C 1.998 178.794 176.870 -0.124 0.000 1.103 4828 L CA 1.660 56.373 54.840 -0.212 0.000 0.769 4828 L CB -0.755 41.175 42.059 -0.215 0.000 0.908 4828 L HN 0.479 nan 8.230 nan 0.000 0.438 4829 E N -1.382 118.759 120.200 -0.099 0.000 2.515 4829 E HA -0.130 4.220 4.350 0.000 0.000 0.201 4829 E C 2.188 178.750 176.600 -0.064 0.000 1.071 4829 E CA 0.260 56.617 56.400 -0.072 0.000 0.880 4829 E CB -0.064 29.601 29.700 -0.058 0.000 0.828 4829 E HN 0.294 nan 8.360 nan 0.000 0.540 4830 V N 1.044 120.915 119.914 -0.071 0.000 2.594 4830 V HA -0.238 3.882 4.120 0.000 0.000 0.253 4830 V C 1.717 177.779 176.094 -0.053 0.000 1.069 4830 V CA 1.239 63.503 62.300 -0.059 0.000 1.082 4830 V CB -0.172 31.613 31.823 -0.062 0.000 0.680 4830 V HN 0.275 nan 8.190 nan 0.000 0.469 4831 I N 0.353 120.889 120.570 -0.057 0.000 2.162 4831 I HA -0.017 4.153 4.170 0.000 0.000 0.238 4831 I C 0.244 176.335 176.117 -0.045 0.000 1.076 4831 I CA 1.414 62.684 61.300 -0.049 0.000 1.353 4831 I CB -2.838 35.133 38.000 -0.048 0.000 1.063 4831 I HN 0.304 nan 8.210 nan 0.000 0.408 4832 P HA -0.193 nan 4.420 nan 0.000 0.216 4832 P C 1.842 179.119 177.300 -0.038 0.000 1.157 4832 P CA 1.541 64.618 63.100 -0.040 0.000 0.880 4832 P CB -0.218 31.457 31.700 -0.042 0.000 0.791 4833 R N -0.010 120.466 120.500 -0.039 0.000 2.096 4833 R HA -0.140 4.200 4.340 0.000 0.000 0.240 4833 R C 1.921 178.200 176.300 -0.036 0.000 1.139 4833 R CA 2.767 58.846 56.100 -0.036 0.000 0.952 4833 R CB -1.486 28.793 30.300 -0.036 0.000 0.854 4833 R HN 0.283 nan 8.270 nan 0.000 0.436 4834 T N -1.582 112.949 114.554 -0.039 0.000 3.067 4834 T HA 0.020 4.370 4.350 0.000 0.000 0.257 4834 T C 2.005 176.677 174.700 -0.046 0.000 1.105 4834 T CA 0.097 62.173 62.100 -0.040 0.000 1.104 4834 T CB -0.042 68.803 68.868 -0.039 0.000 0.925 4834 T HN 0.025 nan 8.240 nan 0.000 0.498 4835 L N 1.676 122.869 121.223 -0.049 0.000 2.083 4835 L HA 0.229 4.569 4.340 0.000 0.000 0.209 4835 L C 2.927 179.758 176.870 -0.066 0.000 1.083 4835 L CA 1.630 56.433 54.840 -0.061 0.000 0.752 4835 L CB -1.201 40.825 42.059 -0.055 0.000 0.899 4835 L HN 0.454 nan 8.230 nan 0.000 0.433 4836 A N -1.536 121.254 122.820 -0.050 0.000 1.935 4836 A HA -0.117 4.203 4.320 0.000 0.000 0.214 4836 A C 2.230 179.789 177.584 -0.043 0.000 1.178 4836 A CA 1.009 53.019 52.037 -0.046 0.000 0.640 4836 A CB -0.367 18.613 19.000 -0.033 0.000 0.825 4836 A HN 0.342 nan 8.150 nan 0.000 0.447 4837 E N 1.613 121.790 120.200 -0.038 0.000 2.033 4837 E HA -0.258 4.092 4.350 0.000 0.000 0.199 4837 E C 1.682 178.261 176.600 -0.036 0.000 1.011 4837 E CA 2.053 58.433 56.400 -0.034 0.000 0.815 4837 E CB -0.253 29.428 29.700 -0.031 0.000 0.755 4837 E HN 0.768 nan 8.360 nan 0.000 0.451 4838 N N -0.125 118.549 118.700 -0.042 0.000 2.467 4838 N HA 0.014 4.754 4.740 0.000 0.000 0.184 4838 N C 1.077 176.555 175.510 -0.054 0.000 1.106 4838 N CA 1.055 54.079 53.050 -0.044 0.000 0.892 4838 N CB -0.196 38.265 38.487 -0.044 0.000 0.969 4838 N HN 0.189 nan 8.380 nan 0.000 0.454 4839 A N -0.223 122.558 122.820 -0.065 0.000 2.208 4839 A HA 0.480 4.800 4.320 0.000 0.000 0.209 4839 A C 1.625 179.177 177.584 -0.054 0.000 1.161 4839 A CA 0.467 52.457 52.037 -0.078 0.000 0.782 4839 A CB -0.768 18.170 19.000 -0.103 0.000 0.816 4839 A HN 0.615 nan 8.150 nan 0.000 0.477 4840 G N -1.623 107.153 108.800 -0.040 0.000 2.132 4840 G HA2 -0.147 3.813 3.960 0.000 0.000 0.234 4840 G HA3 -0.147 3.813 3.960 0.000 0.000 0.234 4840 G C -0.170 174.717 174.900 -0.023 0.000 0.989 4840 G CA 0.197 45.280 45.100 -0.028 0.000 0.676 4840 G HN 0.278 nan 8.290 nan 0.000 0.522 4841 L N 0.788 121.994 121.223 -0.027 0.000 2.344 4841 L HA 0.517 4.857 4.340 0.000 0.000 0.272 4841 L C 0.285 177.143 176.870 -0.019 0.000 1.035 4841 L CA -0.847 53.981 54.840 -0.021 0.000 0.807 4841 L CB 1.368 43.413 42.059 -0.023 0.000 1.237 4841 L HN 0.212 nan 8.230 nan 0.000 0.442 4842 D N 1.424 121.816 120.400 -0.014 0.000 2.346 4842 D HA 0.113 4.753 4.640 0.000 0.000 0.260 4842 D C 0.828 177.119 176.300 -0.015 0.000 1.252 4842 D CA 0.112 54.104 54.000 -0.013 0.000 0.895 4842 D CB 1.603 42.398 40.800 -0.009 0.000 1.097 4842 D HN 0.642 nan 8.370 nan 0.000 0.489 4843 A N 5.458 128.267 122.820 -0.017 0.000 1.908 4843 A HA -0.192 4.128 4.320 0.000 0.000 0.218 4843 A C 2.139 179.714 177.584 -0.016 0.000 1.181 4843 A CA 0.879 52.905 52.037 -0.019 0.000 0.627 4843 A CB -0.235 18.752 19.000 -0.022 0.000 0.818 4843 A HN 0.710 nan 8.150 nan 0.000 0.445 4844 I N -0.255 120.307 120.570 -0.013 0.000 2.163 4844 I HA -0.201 3.969 4.170 0.000 0.000 0.240 4844 I C 2.476 178.588 176.117 -0.007 0.000 1.081 4844 I CA 1.858 63.152 61.300 -0.010 0.000 1.353 4844 I CB -1.518 36.477 38.000 -0.009 0.000 1.054 4844 I HN 0.572 nan 8.210 nan 0.000 0.407 4845 E N 0.938 121.134 120.200 -0.006 0.000 2.077 4845 E HA -0.207 4.143 4.350 0.000 0.000 0.193 4845 E C 2.313 178.912 176.600 -0.002 0.000 0.989 4845 E CA 1.125 57.523 56.400 -0.003 0.000 0.800 4845 E CB 0.190 29.889 29.700 -0.003 0.000 0.746 4845 E HN 0.238 nan 8.360 nan 0.000 0.452 4846 I N 0.859 121.427 120.570 -0.005 0.000 2.202 4846 I HA -0.234 3.936 4.170 0.000 0.000 0.242 4846 I C 2.399 178.514 176.117 -0.003 0.000 1.091 4846 I CA 0.809 62.107 61.300 -0.003 0.000 1.368 4846 I CB -0.966 37.029 38.000 -0.008 0.000 1.058 4846 I HN 0.244 nan 8.210 nan 0.000 0.410 4847 L N 0.136 121.355 121.223 -0.008 0.000 2.083 4847 L HA -0.147 4.193 4.340 0.000 0.000 0.209 4847 L C 2.574 179.442 176.870 -0.003 0.000 1.083 4847 L CA 1.266 56.100 54.840 -0.010 0.000 0.752 4847 L CB -1.001 41.048 42.059 -0.016 0.000 0.899 4847 L HN -0.001 nan 8.230 nan 0.000 0.433 4848 V N -0.823 119.090 119.914 -0.000 0.000 2.358 4848 V HA -0.272 3.848 4.120 0.000 0.000 0.246 4848 V C 2.423 178.523 176.094 0.011 0.000 1.047 4848 V CA 1.565 63.867 62.300 0.004 0.000 1.035 4848 V CB -0.492 31.334 31.823 0.003 0.000 0.658 4848 V HN 0.427 nan 8.190 nan 0.000 0.452 4849 K N -0.410 119.996 120.400 0.010 0.000 2.097 4849 K HA -0.075 4.245 4.320 0.000 0.000 0.205 4849 K C 2.018 178.632 176.600 0.023 0.000 1.050 4849 K CA 1.113 57.409 56.287 0.015 0.000 0.938 4849 K CB -0.203 32.304 32.500 0.012 0.000 0.718 4849 K HN 0.324 nan 8.250 nan 0.000 0.442 4850 V N 1.153 121.080 119.914 0.022 0.000 2.346 4850 V HA -0.163 3.957 4.120 0.000 0.000 0.244 4850 V C 2.134 178.259 176.094 0.051 0.000 1.037 4850 V CA 1.452 63.772 62.300 0.033 0.000 1.029 4850 V CB -0.387 31.446 31.823 0.017 0.000 0.663 4850 V HN 0.230 nan 8.190 nan 0.000 0.454 4851 R N 0.378 120.896 120.500 0.030 0.000 2.096 4851 R HA -0.104 4.236 4.340 0.000 0.000 0.235 4851 R C 2.410 178.752 176.300 0.071 0.000 1.127 4851 R CA 1.475 57.596 56.100 0.035 0.000 0.968 4851 R CB -0.586 29.718 30.300 0.006 0.000 0.861 4851 R HN 0.530 nan 8.270 nan 0.000 0.440 4852 A N 1.257 124.107 122.820 0.050 0.000 1.898 4852 A HA -0.069 4.251 4.320 0.000 0.000 0.216 4852 A C 2.375 179.992 177.584 0.054 0.000 1.181 4852 A CA 1.536 53.601 52.037 0.047 0.000 0.620 4852 A CB -0.605 18.412 19.000 0.029 0.000 0.819 4852 A HN 0.382 nan 8.150 nan 0.000 0.442 4853 A N -1.184 121.670 122.820 0.057 0.000 1.933 4853 A HA -0.223 4.097 4.320 0.000 0.000 0.218 4853 A C 2.137 179.758 177.584 0.062 0.000 1.175 4853 A CA 1.775 53.842 52.037 0.050 0.000 0.628 4853 A CB -0.913 18.115 19.000 0.047 0.000 0.814 4853 A HN 0.766 nan 8.150 nan 0.000 0.444 4854 H N 0.014 119.087 119.070 0.004 0.000 2.299 4854 H HA -0.047 4.509 4.556 0.000 0.000 0.302 4854 H C 2.330 177.660 175.328 0.004 0.000 1.078 4854 H CA 1.771 57.822 56.048 0.004 0.000 1.323 4854 H CB -0.283 29.482 29.762 0.005 0.000 1.381 4854 H HN 0.390 nan 8.280 nan 0.000 0.498 4855 A N 0.013 122.900 122.820 0.112 0.000 1.940 4855 A HA -0.178 4.142 4.320 0.000 0.000 0.219 4855 A C 2.776 180.346 177.584 -0.023 0.000 1.176 4855 A CA 2.100 54.168 52.037 0.052 0.000 0.631 4855 A CB -0.826 18.224 19.000 0.083 0.000 0.814 4855 A HN 0.518 nan 8.150 nan 0.000 0.446 4856 S N -0.656 115.034 115.700 -0.017 0.000 2.341 4856 S HA -0.067 4.403 4.470 0.000 0.000 0.216 4856 S C 1.859 176.431 174.600 -0.047 0.000 1.034 4856 S CA 0.965 59.151 58.200 -0.023 0.000 0.964 4856 S CB -0.386 62.811 63.200 -0.006 0.000 0.882 4856 S HN 0.639 nan 8.310 nan 0.000 0.469 4857 N N 0.983 119.650 118.700 -0.054 0.000 2.416 4857 N HA 0.214 4.954 4.740 0.000 0.000 0.177 4857 N C 1.042 176.493 175.510 -0.098 0.000 1.036 4857 N CA 0.941 53.956 53.050 -0.058 0.000 0.901 4857 N CB 0.467 38.934 38.487 -0.033 0.000 0.976 4857 N HN 0.595 nan 8.380 nan 0.000 0.444 4858 G N 0.652 109.339 108.800 -0.189 0.000 2.352 4858 G HA2 -0.183 3.777 3.960 0.000 0.000 0.324 4858 G HA3 -0.183 3.777 3.960 0.000 0.000 0.324 4858 G C -0.112 174.548 174.900 -0.399 0.000 1.249 4858 G CA -0.192 44.754 45.100 -0.258 0.000 1.053 4858 G HN 0.242 nan 8.290 nan 0.000 0.492 4859 N N -0.275 118.280 118.700 -0.242 0.000 2.368 4859 N HA 0.095 4.835 4.740 0.000 0.000 0.176 4859 N C 1.616 177.144 175.510 0.029 0.000 1.021 4859 N CA 0.913 53.909 53.050 -0.090 0.000 0.888 4859 N CB 0.108 38.598 38.487 0.005 0.000 0.995 4859 N HN 0.282 nan 8.380 nan 0.000 0.437 4860 K N -0.208 120.189 120.400 -0.005 0.000 2.374 4860 K HA 0.272 4.592 4.320 0.000 0.000 0.196 4860 K C -0.647 175.962 176.600 0.015 0.000 1.023 4860 K CA 0.147 56.444 56.287 0.016 0.000 1.103 4860 K CB 0.546 33.049 32.500 0.005 0.000 0.848 4860 K HN 0.115 nan 8.250 nan 0.000 0.528 4861 C N 1.000 120.301 119.300 0.001 0.000 3.094 4861 C HA 0.816 5.276 4.460 0.000 0.000 0.262 4861 C C 0.351 175.357 174.990 0.027 0.000 1.459 4861 C CA -0.723 58.297 59.018 0.003 0.000 1.570 4861 C CB -1.223 26.503 27.740 -0.024 0.000 2.056 4861 C HN 0.467 nan 8.230 nan 0.000 0.499 4862 A N 0.476 123.335 122.820 0.064 0.000 5.650 4862 A HA 0.952 5.272 4.320 0.000 0.000 0.194 4862 A C 0.233 177.862 177.584 0.075 0.000 0.895 4862 A CA 0.396 52.488 52.037 0.091 0.000 0.804 4862 A CB -0.454 18.653 19.000 0.178 0.000 2.103 4862 A HN 2.019 nan 8.150 nan 0.000 1.022 4863 G N -1.918 106.925 108.800 0.071 0.000 2.888 4863 G HA2 0.250 4.210 3.960 0.000 0.000 0.441 4863 G HA3 0.250 4.210 3.960 0.000 0.000 0.441 4863 G C -0.830 174.090 174.900 0.033 0.000 1.461 4863 G CA -0.068 45.057 45.100 0.041 0.000 0.897 4863 G HN 1.440 nan 8.290 nan 0.000 0.547 4864 L N 0.508 121.742 121.223 0.020 0.000 2.292 4864 L HA 0.496 4.836 4.340 0.000 0.000 0.284 4864 L C 0.578 177.465 176.870 0.027 0.000 1.065 4864 L CA -0.453 54.394 54.840 0.013 0.000 0.806 4864 L CB 1.611 43.665 42.059 -0.010 0.000 1.175 4864 L HN 0.626 nan 8.230 nan 0.000 0.431 4865 N N 1.205 119.928 118.700 0.040 0.000 2.699 4865 N HA 0.211 4.951 4.740 0.000 0.000 0.232 4865 N C 0.843 176.379 175.510 0.042 0.000 1.027 4865 N CA -0.359 52.739 53.050 0.080 0.000 0.920 4865 N CB 0.960 39.509 38.487 0.105 0.000 1.148 4865 N HN 0.446 nan 8.380 nan 0.000 0.509 4866 V N 0.777 120.663 119.914 -0.048 0.000 2.913 4866 V HA -0.035 4.085 4.120 0.000 0.000 0.260 4866 V C 1.440 177.426 176.094 -0.181 0.000 1.098 4866 V CA 1.230 63.438 62.300 -0.153 0.000 1.121 4866 V CB -1.201 30.463 31.823 -0.265 0.000 0.714 4866 V HN 0.409 nan 8.190 nan 0.000 0.487 4867 F N 2.506 122.457 119.950 0.001 0.000 2.206 4867 F HA -0.055 4.472 4.527 0.000 0.000 0.298 4867 F C 2.728 178.529 175.800 0.002 0.000 1.090 4867 F CA 1.864 59.865 58.000 0.002 0.000 1.323 4867 F CB -0.388 38.613 39.000 0.002 0.000 1.028 4867 F HN 0.366 nan 8.300 nan 0.000 0.492 4868 T N -3.770 110.891 114.554 0.179 0.000 3.022 4868 T HA 0.363 4.713 4.350 0.000 0.000 0.250 4868 T C 1.437 176.168 174.700 0.052 0.000 1.060 4868 T CA 0.421 62.578 62.100 0.096 0.000 1.013 4868 T CB 0.270 69.185 68.868 0.079 0.000 0.982 4868 T HN 0.376 nan 8.240 nan 0.000 0.508 4869 G N 1.058 109.880 108.800 0.037 0.000 2.291 4869 G HA2 0.287 4.247 3.960 0.000 0.000 0.271 4869 G HA3 0.287 4.247 3.960 0.000 0.000 0.271 4869 G C 0.036 174.943 174.900 0.012 0.000 1.099 4869 G CA -0.229 44.876 45.100 0.008 0.000 0.919 4869 G HN 1.393 nan 8.290 nan 0.000 0.496 4870 A N -1.505 121.327 122.820 0.020 0.000 2.601 4870 A HA 0.903 5.223 4.320 0.000 0.000 0.291 4870 A C 0.036 177.635 177.584 0.024 0.000 1.075 4870 A CA 0.110 52.159 52.037 0.020 0.000 0.671 4870 A CB 1.399 20.413 19.000 0.023 0.000 1.277 4870 A HN 1.818 nan 8.150 nan 0.000 0.417 4871 V N 1.419 121.346 119.914 0.022 0.000 2.673 4871 V HA 0.451 4.571 4.120 0.000 0.000 0.303 4871 V C -0.040 176.073 176.094 0.032 0.000 1.046 4871 V CA 0.935 63.252 62.300 0.027 0.000 1.126 4871 V CB 0.517 32.355 31.823 0.026 0.000 0.934 4871 V HN 0.908 nan 8.190 nan 0.000 0.487 4872 E N 3.613 123.835 120.200 0.037 0.000 2.350 4872 E HA 0.448 4.798 4.350 0.000 0.000 0.243 4872 E C -1.650 174.972 176.600 0.037 0.000 0.959 4872 E CA -0.716 55.706 56.400 0.037 0.000 0.883 4872 E CB 0.865 30.592 29.700 0.044 0.000 1.820 4872 E HN 0.659 nan 8.360 nan 0.000 0.441 4873 D N 1.402 121.822 120.400 0.033 0.000 2.427 4873 D HA 0.234 4.874 4.640 0.000 0.000 0.226 4873 D C 1.086 177.407 176.300 0.035 0.000 1.076 4873 D CA -0.304 53.714 54.000 0.030 0.000 0.849 4873 D CB 1.021 41.833 40.800 0.019 0.000 1.052 4873 D HN 0.162 nan 8.370 nan 0.000 0.515 4874 M N 0.387 120.012 119.600 0.043 0.000 2.099 4874 M HA -0.123 4.357 4.480 0.000 0.000 0.262 4874 M C 2.285 178.607 176.300 0.036 0.000 1.067 4874 M CA 0.885 56.213 55.300 0.047 0.000 1.124 4874 M CB -0.827 31.804 32.600 0.051 0.000 1.353 4874 M HN 0.502 nan 8.290 nan 0.000 0.410 4875 C N 0.701 120.019 119.300 0.031 0.000 2.429 4875 C HA -0.162 4.298 4.460 0.000 0.000 0.277 4875 C C 2.707 177.706 174.990 0.015 0.000 1.262 4875 C CA 1.345 60.377 59.018 0.022 0.000 1.733 4875 C CB -0.929 26.823 27.740 0.020 0.000 2.010 4875 C HN 0.633 nan 8.230 nan 0.000 0.483 4876 E N 0.130 120.338 120.200 0.014 0.000 2.118 4876 E HA -0.202 4.148 4.350 0.000 0.000 0.195 4876 E C 1.205 177.808 176.600 0.005 0.000 0.992 4876 E CA 1.354 57.759 56.400 0.008 0.000 0.804 4876 E CB -0.144 29.561 29.700 0.008 0.000 0.741 4876 E HN 0.630 nan 8.360 nan 0.000 0.458 4877 N N -0.526 118.180 118.700 0.011 0.000 2.398 4877 N HA 0.041 4.781 4.740 0.000 0.000 0.188 4877 N C 0.591 176.099 175.510 -0.002 0.000 1.122 4877 N CA 0.910 53.962 53.050 0.003 0.000 0.866 4877 N CB 0.945 39.441 38.487 0.015 0.000 0.970 4877 N HN 0.320 nan 8.380 nan 0.000 0.462 4878 G N 0.151 108.954 108.800 0.005 0.000 2.160 4878 G HA2 -0.260 3.700 3.960 0.000 0.000 0.251 4878 G HA3 -0.260 3.700 3.960 0.000 0.000 0.251 4878 G C -0.075 174.836 174.900 0.017 0.000 1.008 4878 G CA 0.151 45.254 45.100 0.005 0.000 0.724 4878 G HN 0.197 nan 8.290 nan 0.000 0.514 4879 V N 1.378 121.313 119.914 0.034 0.000 2.222 4879 V HA 0.482 4.602 4.120 0.000 0.000 0.253 4879 V C 0.790 176.912 176.094 0.047 0.000 1.210 4879 V CA 0.111 62.446 62.300 0.058 0.000 1.079 4879 V CB 0.492 32.368 31.823 0.088 0.000 1.265 4879 V HN 1.022 nan 8.190 nan 0.000 0.494 4880 V N 1.230 121.167 119.914 0.038 0.000 2.876 4880 V HA 0.795 4.915 4.120 0.000 0.000 0.312 4880 V C -0.703 175.409 176.094 0.029 0.000 1.085 4880 V CA -0.819 61.499 62.300 0.031 0.000 0.945 4880 V CB 2.485 34.322 31.823 0.023 0.000 1.017 4880 V HN 0.625 nan 8.190 nan 0.000 0.428 4881 E N 2.856 123.071 120.200 0.025 0.000 2.317 4881 E HA 0.532 4.882 4.350 0.000 0.000 0.270 4881 E C -2.972 173.639 176.600 0.018 0.000 0.885 4881 E CA -2.264 54.149 56.400 0.022 0.000 0.760 4881 E CB 2.743 32.456 29.700 0.021 0.000 1.227 4881 E HN 0.550 nan 8.360 nan 0.000 0.434 4882 P HA -0.098 nan 4.420 nan 0.000 0.266 4882 P C 0.507 177.816 177.300 0.014 0.000 1.193 4882 P CA -0.098 63.010 63.100 0.014 0.000 0.770 4882 P CB 0.529 32.236 31.700 0.013 0.000 0.836 4883 L N 4.073 125.304 121.223 0.014 0.000 2.042 4883 L HA -0.172 4.168 4.340 0.000 0.000 0.210 4883 L C 2.345 179.224 176.870 0.014 0.000 1.076 4883 L CA 1.867 56.716 54.840 0.014 0.000 0.749 4883 L CB -0.839 41.227 42.059 0.013 0.000 0.893 4883 L HN 0.308 nan 8.230 nan 0.000 0.432 4884 R N -0.967 119.541 120.500 0.013 0.000 2.105 4884 R HA -0.151 4.189 4.340 0.000 0.000 0.239 4884 R C 2.046 178.354 176.300 0.014 0.000 1.135 4884 R CA 1.794 57.902 56.100 0.013 0.000 0.967 4884 R CB -0.300 30.007 30.300 0.012 0.000 0.861 4884 R HN 0.395 nan 8.270 nan 0.000 0.442 4885 V N 1.443 121.365 119.914 0.014 0.000 2.255 4885 V HA -0.275 3.845 4.120 0.000 0.000 0.247 4885 V C 2.287 178.389 176.094 0.014 0.000 1.051 4885 V CA 1.877 64.185 62.300 0.013 0.000 1.018 4885 V CB -0.358 31.472 31.823 0.013 0.000 0.641 4885 V HN 0.292 nan 8.190 nan 0.000 0.445 4886 K N -0.390 120.019 120.400 0.015 0.000 2.167 4886 K HA -0.009 4.311 4.320 0.000 0.000 0.203 4886 K C 2.177 178.791 176.600 0.023 0.000 1.052 4886 K CA 1.295 57.592 56.287 0.016 0.000 0.956 4886 K CB -0.658 31.851 32.500 0.015 0.000 0.735 4886 K HN 0.495 nan 8.250 nan 0.000 0.451 4887 T N 1.374 115.942 114.554 0.023 0.000 2.812 4887 T HA -0.133 4.217 4.350 0.000 0.000 0.264 4887 T C 1.912 176.630 174.700 0.031 0.000 1.042 4887 T CA 1.291 63.408 62.100 0.028 0.000 1.140 4887 T CB -0.034 68.847 68.868 0.022 0.000 0.870 4887 T HN 0.122 nan 8.240 nan 0.000 0.445 4888 Q N 1.320 121.135 119.800 0.025 0.000 2.123 4888 Q HA 0.170 4.510 4.340 0.000 0.000 0.199 4888 Q C 2.247 178.264 176.000 0.028 0.000 0.966 4888 Q CA 1.520 57.338 55.803 0.025 0.000 0.845 4888 Q CB -0.668 28.082 28.738 0.019 0.000 0.907 4888 Q HN 0.471 nan 8.270 nan 0.000 0.439 4889 A N 0.522 123.356 122.820 0.024 0.000 1.883 4889 A HA -0.155 4.165 4.320 0.000 0.000 0.217 4889 A C 1.939 179.541 177.584 0.030 0.000 1.186 4889 A CA 1.592 53.641 52.037 0.020 0.000 0.624 4889 A CB -0.679 18.328 19.000 0.011 0.000 0.822 4889 A HN 0.444 nan 8.150 nan 0.000 0.444 4890 I N -0.369 120.228 120.570 0.044 0.000 2.252 4890 I HA -0.178 3.992 4.170 0.000 0.000 0.245 4890 I C 2.661 178.838 176.117 0.101 0.000 1.102 4890 I CA 1.160 62.508 61.300 0.081 0.000 1.385 4890 I CB -1.430 36.632 38.000 0.103 0.000 1.064 4890 I HN 0.361 nan 8.210 nan 0.000 0.414 4891 Q N 0.703 120.547 119.800 0.074 0.000 2.002 4891 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 4891 Q C 2.505 178.546 176.000 0.067 0.000 0.988 4891 Q CA 1.883 57.727 55.803 0.069 0.000 0.843 4891 Q CB -0.551 28.216 28.738 0.047 0.000 0.908 4891 Q HN 0.387 nan 8.270 nan 0.000 0.420 4892 S N 0.822 116.553 115.700 0.051 0.000 2.356 4892 S HA -0.132 4.338 4.470 0.000 0.000 0.223 4892 S C 1.945 176.576 174.600 0.052 0.000 1.032 4892 S CA 1.152 59.379 58.200 0.044 0.000 1.005 4892 S CB -0.277 62.941 63.200 0.031 0.000 0.867 4892 S HN 0.517 nan 8.310 nan 0.000 0.449 4893 A N 1.396 124.248 122.820 0.054 0.000 1.873 4893 A HA 0.165 4.485 4.320 0.000 0.000 0.215 4893 A C 2.332 179.973 177.584 0.095 0.000 1.186 4893 A CA 1.709 53.776 52.037 0.051 0.000 0.616 4893 A CB -1.071 17.942 19.000 0.023 0.000 0.823 4893 A HN 0.515 nan 8.150 nan 0.000 0.442 4894 A N -0.693 122.219 122.820 0.154 0.000 1.898 4894 A HA -0.025 4.295 4.320 0.000 0.000 0.214 4894 A C 1.961 179.674 177.584 0.216 0.000 1.183 4894 A CA 1.911 54.120 52.037 0.288 0.000 0.622 4894 A CB -0.393 18.875 19.000 0.446 0.000 0.824 4894 A HN 0.489 nan 8.150 nan 0.000 0.444 4895 E N 0.068 120.352 120.200 0.139 0.000 2.150 4895 E HA -0.112 4.238 4.350 0.000 0.000 0.193 4895 E C 2.134 178.779 176.600 0.074 0.000 0.985 4895 E CA 1.355 57.813 56.400 0.096 0.000 0.814 4895 E CB -0.328 29.413 29.700 0.069 0.000 0.752 4895 E HN 0.458 nan 8.360 nan 0.000 0.466 4896 S N -1.302 114.439 115.700 0.068 0.000 2.368 4896 S HA -0.131 4.339 4.470 0.000 0.000 0.224 4896 S C 1.898 176.523 174.600 0.041 0.000 1.029 4896 S CA 1.762 59.990 58.200 0.047 0.000 0.988 4896 S CB -0.540 62.683 63.200 0.039 0.000 0.838 4896 S HN 0.421 nan 8.310 nan 0.000 0.462 4897 T N 1.829 116.421 114.554 0.063 0.000 2.674 4897 T HA -0.082 4.268 4.350 0.000 0.000 0.265 4897 T C 1.841 176.543 174.700 0.003 0.000 1.039 4897 T CA 1.399 63.522 62.100 0.039 0.000 1.150 4897 T CB -0.490 68.447 68.868 0.115 0.000 0.864 4897 T HN 0.426 nan 8.240 nan 0.000 0.427 4898 E N 0.799 121.040 120.200 0.068 0.000 2.153 4898 E HA -0.122 4.228 4.350 0.000 0.000 0.194 4898 E C 2.117 178.728 176.600 0.017 0.000 0.988 4898 E CA 0.827 57.255 56.400 0.047 0.000 0.811 4898 E CB -0.237 29.528 29.700 0.108 0.000 0.746 4898 E HN 0.502 nan 8.360 nan 0.000 0.466 4899 M N -0.172 119.443 119.600 0.024 0.000 2.099 4899 M HA -0.177 4.303 4.480 0.000 0.000 0.262 4899 M C 1.879 178.180 176.300 0.001 0.000 1.067 4899 M CA 1.059 56.369 55.300 0.016 0.000 1.124 4899 M CB 0.009 32.622 32.600 0.022 0.000 1.353 4899 M HN 0.097 nan 8.290 nan 0.000 0.410 4900 L N 0.755 121.975 121.223 -0.005 0.000 2.201 4900 L HA -0.102 4.238 4.340 0.000 0.000 0.212 4900 L C 2.148 178.997 176.870 -0.035 0.000 1.105 4900 L CA 1.495 56.327 54.840 -0.013 0.000 0.775 4900 L CB -1.065 40.985 42.059 -0.014 0.000 0.913 4900 L HN 0.388 nan 8.230 nan 0.000 0.440 4901 L N -1.268 119.917 121.223 -0.063 0.000 2.265 4901 L HA -0.190 4.150 4.340 0.000 0.000 0.215 4901 L C 2.501 179.340 176.870 -0.052 0.000 1.117 4901 L CA 0.847 55.632 54.840 -0.091 0.000 0.782 4901 L CB -0.360 41.606 42.059 -0.155 0.000 0.914 4901 L HN 0.233 nan 8.230 nan 0.000 0.441 4902 R N -0.368 120.116 120.500 -0.026 0.000 2.153 4902 R HA 0.013 4.353 4.340 0.000 0.000 0.218 4902 R C 0.183 176.480 176.300 -0.005 0.000 1.072 4902 R CA 0.371 56.467 56.100 -0.007 0.000 0.990 4902 R CB -0.051 30.251 30.300 0.004 0.000 0.889 4902 R HN 0.123 nan 8.270 nan 0.000 0.452 4903 I N 1.424 121.991 120.570 -0.006 0.000 2.396 4903 I HA -0.036 4.134 4.170 0.000 0.000 0.289 4903 I C 0.469 176.585 176.117 -0.001 0.000 1.056 4903 I CA 0.510 61.810 61.300 0.002 0.000 1.365 4903 I CB 1.156 39.161 38.000 0.009 0.000 1.407 4903 I HN -0.102 nan 8.210 nan 0.000 0.509 4904 D N 3.546 123.948 120.400 0.003 0.000 2.535 4904 D HA 0.138 4.778 4.640 0.000 0.000 0.229 4904 D C -0.911 175.398 176.300 0.015 0.000 1.238 4904 D CA 0.143 54.145 54.000 0.003 0.000 0.824 4904 D CB 0.242 41.039 40.800 -0.006 0.000 1.045 4904 D HN 0.446 nan 8.370 nan 0.000 0.500 4905 D N -0.259 120.152 120.400 0.019 0.000 2.931 4905 D HA 0.207 4.847 4.640 0.000 0.000 0.215 4905 D C -1.481 174.830 176.300 0.017 0.000 1.297 4905 D CA -0.438 53.575 54.000 0.021 0.000 0.892 4905 D CB 1.883 42.691 40.800 0.014 0.000 1.642 4905 D HN -0.256 nan 8.370 nan 0.000 0.560 4906 V N 4.982 124.908 119.914 0.019 0.000 2.378 4906 V HA 0.527 4.647 4.120 0.000 0.000 0.288 4906 V C 0.138 176.225 176.094 -0.011 0.000 1.016 4906 V CA -0.546 61.753 62.300 -0.002 0.000 0.840 4906 V CB 1.369 33.184 31.823 -0.013 0.000 0.994 4906 V HN 0.489 nan 8.190 nan 0.000 0.431 4907 I N 4.518 125.078 120.570 -0.018 0.000 2.411 4907 I HA 0.688 4.858 4.170 0.000 0.000 0.284 4907 I C 0.237 176.338 176.117 -0.027 0.000 1.012 4907 I CA -0.462 60.827 61.300 -0.018 0.000 1.119 4907 I CB 1.745 39.738 38.000 -0.011 0.000 1.261 4907 I HN 0.646 nan 8.210 nan 0.000 0.448 4908 A N 5.118 127.919 122.820 -0.032 0.000 2.304 4908 A HA 0.861 5.181 4.320 0.000 0.000 0.323 4908 A C 0.161 177.730 177.584 -0.024 0.000 1.195 4908 A CA -0.485 51.532 52.037 -0.035 0.000 0.826 4908 A CB 1.067 20.038 19.000 -0.049 0.000 1.184 4908 A HN 0.775 nan 8.150 nan 0.000 0.496 4909 A N 2.396 125.203 122.820 -0.020 0.000 2.386 4909 A HA 0.476 4.796 4.320 0.000 0.000 0.248 4909 A C 0.454 178.030 177.584 -0.015 0.000 1.082 4909 A CA -0.195 51.833 52.037 -0.015 0.000 0.789 4909 A CB 0.010 19.002 19.000 -0.012 0.000 1.025 4909 A HN 0.875 nan 8.150 nan 0.000 0.490 4910 E N 0.000 120.193 120.200 -0.012 0.000 2.725 4910 E HA 0.000 4.350 4.350 0.000 0.000 0.291 4910 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 4910 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 4910 E HN 0.000 nan 8.360 nan 0.000 0.440