REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3izk_1_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 KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4420 V HA 0.000 nan 4.120 nan 0.000 0.244 4420 V C 0.000 176.088 176.094 -0.010 0.000 1.182 4420 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 4420 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 4421 L N 1.835 123.051 121.223 -0.012 0.000 2.352 4421 L HA 0.607 4.947 4.340 -0.001 0.000 0.269 4421 L C -2.290 174.575 176.870 -0.009 0.000 1.034 4421 L CA -1.672 53.161 54.840 -0.010 0.000 0.806 4421 L CB 0.686 42.737 42.059 -0.012 0.000 1.244 4421 L HN 0.140 nan 8.230 nan 0.000 0.447 4422 P HA 0.011 nan 4.420 nan 0.000 0.265 4422 P C -0.657 176.641 177.300 -0.004 0.000 1.193 4422 P CA -0.258 62.840 63.100 -0.003 0.000 0.765 4422 P CB 0.394 32.093 31.700 -0.001 0.000 0.823 4423 E N 2.898 123.095 120.200 -0.004 0.000 2.480 4423 E HA -0.051 4.298 4.350 -0.001 0.000 0.258 4423 E C 0.689 177.289 176.600 -0.001 0.000 0.984 4423 E CA 0.952 57.349 56.400 -0.005 0.000 0.930 4423 E CB -0.320 29.377 29.700 -0.005 0.000 0.936 4423 E HN 0.533 nan 8.360 nan 0.000 0.466 4424 N N 2.103 120.803 118.700 -0.000 0.000 2.879 4424 N HA -0.188 4.551 4.740 -0.001 0.000 0.156 4424 N C -0.657 174.861 175.510 0.014 0.000 1.554 4424 N CA 0.889 53.944 53.050 0.007 0.000 2.252 4424 N CB -1.205 37.288 38.487 0.010 0.000 1.232 4424 N HN 0.542 nan 8.380 nan 0.000 0.861 4425 M N 1.663 121.268 119.600 0.009 0.000 2.249 4425 M HA 0.318 4.798 4.480 -0.001 0.000 0.351 4425 M C -0.763 175.539 176.300 0.004 0.000 1.180 4425 M CA -0.094 55.216 55.300 0.017 0.000 1.127 4425 M CB 0.596 33.202 32.600 0.010 0.000 1.546 4425 M HN -0.046 nan 8.290 nan 0.000 0.461 4426 K N 4.165 124.579 120.400 0.024 0.000 2.267 4426 K HA 0.613 4.933 4.320 -0.001 0.000 0.246 4426 K C -1.005 175.571 176.600 -0.040 0.000 0.954 4426 K CA -0.758 55.505 56.287 -0.039 0.000 0.824 4426 K CB 1.851 34.340 32.500 -0.017 0.000 1.167 4426 K HN 0.674 nan 8.250 nan 0.000 0.431 4427 R N 1.577 121.953 120.500 -0.206 0.000 2.686 4427 R HA 0.446 4.786 4.340 -0.001 0.000 0.286 4427 R C -0.903 175.169 176.300 -0.379 0.000 0.969 4427 R CA -0.753 55.266 56.100 -0.135 0.000 0.898 4427 R CB 1.272 31.532 30.300 -0.067 0.000 1.183 4427 R HN 0.558 nan 8.270 nan 0.000 0.456 4428 Y N 2.422 122.738 120.300 0.026 0.000 2.536 4428 Y HA 0.578 5.128 4.550 -0.000 0.000 0.347 4428 Y C 0.583 176.496 175.900 0.022 0.000 1.000 4428 Y CA -0.982 57.134 58.100 0.026 0.000 1.051 4428 Y CB 1.973 40.457 38.460 0.040 0.000 1.259 4428 Y HN 0.362 nan 8.280 nan 0.000 0.468 4429 M N 0.817 120.512 119.600 0.159 0.000 2.520 4429 M HA 0.783 5.263 4.480 -0.001 0.000 0.280 4429 M C 0.024 176.368 176.300 0.073 0.000 1.232 4429 M CA -0.240 55.113 55.300 0.089 0.000 0.892 4429 M CB 1.276 33.903 32.600 0.044 0.000 1.728 4429 M HN 0.892 nan 8.290 nan 0.000 0.475 4430 G N 2.730 111.560 108.800 0.050 0.000 2.561 4430 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.289 4430 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.289 4430 G C 0.671 175.589 174.900 0.031 0.000 1.169 4430 G CA 0.527 45.646 45.100 0.032 0.000 0.980 4430 G HN 0.842 nan 8.290 nan 0.000 0.550 4431 R N 1.082 121.596 120.500 0.023 0.000 2.152 4431 R HA -0.022 4.317 4.340 -0.001 0.000 0.232 4431 R C 2.101 178.420 176.300 0.032 0.000 1.117 4431 R CA 1.785 57.895 56.100 0.015 0.000 0.981 4431 R CB -0.795 29.510 30.300 0.007 0.000 0.870 4431 R HN 0.611 nan 8.270 nan 0.000 0.451 4432 D N 0.493 120.935 120.400 0.071 0.000 2.224 4432 D HA -0.032 4.608 4.640 -0.001 0.000 0.205 4432 D C 1.691 178.057 176.300 0.109 0.000 0.965 4432 D CA 1.156 55.231 54.000 0.125 0.000 0.852 4432 D CB -0.034 40.910 40.800 0.240 0.000 0.947 4432 D HN 0.169 nan 8.370 nan 0.000 0.494 4433 A N 0.654 123.539 122.820 0.108 0.000 1.929 4433 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 4433 A C 2.092 179.694 177.584 0.030 0.000 1.176 4433 A CA 0.989 53.083 52.037 0.094 0.000 0.628 4433 A CB -0.204 18.851 19.000 0.092 0.000 0.816 4433 A HN 0.036 nan 8.150 nan 0.000 0.444 4434 Q N -0.442 119.365 119.800 0.012 0.000 2.016 4434 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 4434 Q C 2.252 178.227 176.000 -0.041 0.000 0.978 4434 Q CA 1.893 57.688 55.803 -0.012 0.000 0.833 4434 Q CB -0.469 28.260 28.738 -0.015 0.000 0.895 4434 Q HN 0.630 nan 8.270 nan 0.000 0.427 4435 R N 0.916 121.385 120.500 -0.051 0.000 2.075 4435 R HA -0.032 4.308 4.340 -0.001 0.000 0.232 4435 R C 2.184 178.387 176.300 -0.161 0.000 1.126 4435 R CA 1.523 57.573 56.100 -0.085 0.000 0.963 4435 R CB -0.617 29.644 30.300 -0.065 0.000 0.858 4435 R HN 0.306 nan 8.270 nan 0.000 0.435 4436 M N 0.296 119.760 119.600 -0.227 0.000 2.082 4436 M HA -0.232 4.248 4.480 -0.001 0.000 0.258 4436 M C 1.021 177.153 176.300 -0.281 0.000 1.069 4436 M CA 2.106 57.191 55.300 -0.359 0.000 1.102 4436 M CB -0.265 32.097 32.600 -0.396 0.000 1.336 4436 M HN 0.178 nan 8.290 nan 0.000 0.404 4437 N N 0.755 119.355 118.700 -0.165 0.000 2.188 4437 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 4437 N C 1.655 177.072 175.510 -0.155 0.000 1.018 4437 N CA 1.366 54.321 53.050 -0.159 0.000 0.858 4437 N CB -0.429 38.038 38.487 -0.033 0.000 0.989 4437 N HN 0.395 nan 8.380 nan 0.000 0.426 4438 I N 0.548 121.049 120.570 -0.115 0.000 2.315 4438 I HA -0.142 4.028 4.170 -0.001 0.000 0.248 4438 I C 1.849 177.898 176.117 -0.114 0.000 1.117 4438 I CA 0.683 61.930 61.300 -0.089 0.000 1.404 4438 I CB -0.830 37.133 38.000 -0.061 0.000 1.071 4438 I HN 0.053 nan 8.210 nan 0.000 0.419 4439 L N 0.998 122.130 121.223 -0.151 0.000 2.093 4439 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 4439 L C 2.722 179.488 176.870 -0.173 0.000 1.085 4439 L CA 1.810 56.558 54.840 -0.153 0.000 0.755 4439 L CB -1.338 40.615 42.059 -0.178 0.000 0.904 4439 L HN 0.168 nan 8.230 nan 0.000 0.435 4440 A N -0.550 122.113 122.820 -0.261 0.000 1.902 4440 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 4440 A C 2.405 179.887 177.584 -0.170 0.000 1.181 4440 A CA 1.699 53.559 52.037 -0.294 0.000 0.623 4440 A CB -1.278 17.355 19.000 -0.611 0.000 0.818 4440 A HN 0.432 nan 8.150 nan 0.000 0.443 4441 G N -0.718 107.997 108.800 -0.141 0.000 2.422 4441 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.218 4441 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.218 4441 G C 1.672 176.530 174.900 -0.069 0.000 1.140 4441 G CA 1.138 46.188 45.100 -0.083 0.000 0.775 4441 G HN 0.520 nan 8.290 nan 0.000 0.545 4442 R N 0.637 121.090 120.500 -0.078 0.000 2.092 4442 R HA 0.109 4.448 4.340 -0.001 0.000 0.231 4442 R C 2.400 178.665 176.300 -0.058 0.000 1.119 4442 R CA 0.986 57.048 56.100 -0.064 0.000 0.970 4442 R CB -0.648 29.613 30.300 -0.065 0.000 0.864 4442 R HN 0.427 nan 8.270 nan 0.000 0.440 4443 I N 0.100 120.630 120.570 -0.066 0.000 2.127 4443 I HA -0.292 3.877 4.170 -0.001 0.000 0.241 4443 I C 1.775 177.867 176.117 -0.041 0.000 1.075 4443 I CA 1.062 62.331 61.300 -0.052 0.000 1.334 4443 I CB -0.282 37.684 38.000 -0.056 0.000 1.040 4443 I HN 0.140 nan 8.210 nan 0.000 0.405 4444 I N 0.898 121.443 120.570 -0.042 0.000 2.233 4444 I HA -0.202 3.968 4.170 -0.001 0.000 0.243 4444 I C 2.873 178.971 176.117 -0.032 0.000 1.093 4444 I CA 1.595 62.876 61.300 -0.031 0.000 1.380 4444 I CB -1.612 36.371 38.000 -0.027 0.000 1.067 4444 I HN 0.167 nan 8.210 nan 0.000 0.413 4445 A N 0.444 123.241 122.820 -0.038 0.000 1.940 4445 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 4445 A C 2.282 179.843 177.584 -0.038 0.000 1.176 4445 A CA 2.097 54.111 52.037 -0.038 0.000 0.631 4445 A CB -0.573 18.401 19.000 -0.043 0.000 0.814 4445 A HN 0.407 nan 8.150 nan 0.000 0.446 4446 E N -0.493 119.684 120.200 -0.038 0.000 2.107 4446 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 4446 E C 2.014 178.595 176.600 -0.031 0.000 0.982 4446 E CA 1.778 58.157 56.400 -0.035 0.000 0.809 4446 E CB -0.513 29.166 29.700 -0.035 0.000 0.756 4446 E HN 0.505 nan 8.360 nan 0.000 0.459 4447 T N 0.115 114.651 114.554 -0.029 0.000 2.746 4447 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 4447 T C 1.881 176.566 174.700 -0.025 0.000 1.039 4447 T CA 1.792 63.877 62.100 -0.025 0.000 1.142 4447 T CB -0.322 68.533 68.868 -0.022 0.000 0.866 4447 T HN 0.267 nan 8.240 nan 0.000 0.444 4448 V N 1.868 121.766 119.914 -0.026 0.000 2.649 4448 V HA 0.013 4.133 4.120 -0.001 0.000 0.248 4448 V C 2.347 178.424 176.094 -0.030 0.000 1.054 4448 V CA 1.312 63.596 62.300 -0.026 0.000 1.073 4448 V CB -0.891 30.917 31.823 -0.025 0.000 0.699 4448 V HN 0.480 nan 8.190 nan 0.000 0.463 4449 R N 2.696 123.176 120.500 -0.033 0.000 2.241 4449 R HA -0.062 4.277 4.340 -0.001 0.000 0.224 4449 R C 2.016 178.293 176.300 -0.037 0.000 1.101 4449 R CA 1.593 57.671 56.100 -0.038 0.000 0.995 4449 R CB -0.985 29.291 30.300 -0.041 0.000 0.870 4449 R HN 0.690 nan 8.270 nan 0.000 0.463 4450 S N 0.031 115.711 115.700 -0.033 0.000 2.522 4450 S HA -0.074 4.396 4.470 -0.001 0.000 0.227 4450 S C 1.691 176.272 174.600 -0.033 0.000 0.986 4450 S CA 0.684 58.864 58.200 -0.033 0.000 0.929 4450 S CB 0.078 63.261 63.200 -0.029 0.000 0.769 4450 S HN 0.551 nan 8.310 nan 0.000 0.529 4451 T N -0.945 113.590 114.554 -0.031 0.000 3.069 4451 T HA 0.353 4.702 4.350 -0.001 0.000 0.252 4451 T C 0.324 175.004 174.700 -0.033 0.000 1.053 4451 T CA -0.522 61.561 62.100 -0.029 0.000 0.964 4451 T CB -0.436 68.418 68.868 -0.023 0.000 1.005 4451 T HN 0.258 nan 8.240 nan 0.000 0.532 4452 L N 2.928 124.128 121.223 -0.038 0.000 2.462 4452 L HA 0.518 4.858 4.340 -0.001 0.000 0.272 4452 L C 0.703 177.541 176.870 -0.052 0.000 1.166 4452 L CA 1.609 56.424 54.840 -0.041 0.000 0.880 4452 L CB -0.751 41.281 42.059 -0.044 0.000 1.142 4452 L HN 0.697 nan 8.230 nan 0.000 0.473 4453 G N 4.398 113.168 108.800 -0.048 0.000 2.663 4453 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.686 4453 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.686 4453 G C -2.066 172.789 174.900 -0.075 0.000 1.288 4453 G CA -0.340 44.719 45.100 -0.068 0.000 0.836 4453 G HN 0.552 nan 8.290 nan 0.000 0.584 4454 P HA 0.004 nan 4.420 nan 0.000 0.222 4454 P C 1.121 178.328 177.300 -0.155 0.000 1.147 4454 P CA 1.229 64.267 63.100 -0.103 0.000 0.790 4454 P CB 0.112 31.726 31.700 -0.145 0.000 0.780 4455 K N -0.209 120.062 120.400 -0.214 0.000 2.372 4455 K HA 0.272 4.592 4.320 -0.001 0.000 0.200 4455 K C 1.172 177.712 176.600 -0.100 0.000 1.022 4455 K CA -0.140 56.047 56.287 -0.167 0.000 1.125 4455 K CB -0.110 32.263 32.500 -0.212 0.000 0.855 4455 K HN 0.067 nan 8.250 nan 0.000 0.524 4456 G N 0.226 108.977 108.800 -0.082 0.000 2.616 4456 G HA2 0.245 4.205 3.960 -0.001 0.000 0.268 4456 G HA3 0.245 4.205 3.960 -0.001 0.000 0.268 4456 G C 0.018 174.893 174.900 -0.041 0.000 1.213 4456 G CA -0.513 44.552 45.100 -0.057 0.000 0.926 4456 G HN -0.069 nan 8.290 nan 0.000 0.523 4457 M N -0.045 119.535 119.600 -0.034 0.000 2.531 4457 M HA 0.401 4.880 4.480 -0.001 0.000 0.262 4457 M C -0.232 176.056 176.300 -0.021 0.000 1.168 4457 M CA -0.677 54.607 55.300 -0.026 0.000 0.926 4457 M CB 1.116 33.701 32.600 -0.025 0.000 1.445 4457 M HN 0.726 nan 8.290 nan 0.000 0.531 4458 D N -0.589 119.800 120.400 -0.018 0.000 2.493 4458 D HA 0.562 5.202 4.640 -0.001 0.000 0.239 4458 D C -1.300 174.990 176.300 -0.017 0.000 1.049 4458 D CA -0.763 53.228 54.000 -0.016 0.000 1.008 4458 D CB 1.271 42.064 40.800 -0.013 0.000 1.398 4458 D HN 0.116 nan 8.370 nan 0.000 0.513 4459 K N 0.346 120.737 120.400 -0.016 0.000 2.259 4459 K HA 0.396 4.716 4.320 -0.001 0.000 0.252 4459 K C -0.949 175.640 176.600 -0.017 0.000 0.936 4459 K CA -0.719 55.558 56.287 -0.016 0.000 0.810 4459 K CB 1.969 34.461 32.500 -0.014 0.000 1.143 4459 K HN 0.677 nan 8.250 nan 0.000 0.427 4460 M N 4.061 123.650 119.600 -0.019 0.000 2.047 4460 M HA 0.253 4.732 4.480 -0.001 0.000 0.342 4460 M C -1.493 174.797 176.300 -0.017 0.000 1.058 4460 M CA -0.972 54.315 55.300 -0.022 0.000 0.991 4460 M CB 0.366 32.950 32.600 -0.026 0.000 1.474 4460 M HN 0.347 nan 8.290 nan 0.000 0.419 4461 L N 6.055 127.269 121.223 -0.015 0.000 2.272 4461 L HA 0.521 4.861 4.340 -0.001 0.000 0.289 4461 L C -0.797 176.067 176.870 -0.011 0.000 1.032 4461 L CA -0.253 54.581 54.840 -0.011 0.000 0.810 4461 L CB 1.669 43.723 42.059 -0.008 0.000 1.205 4461 L HN 0.414 nan 8.230 nan 0.000 0.422 4462 V N 2.816 122.725 119.914 -0.009 0.000 2.407 4462 V HA 0.370 4.489 4.120 -0.001 0.000 0.291 4462 V C -0.351 175.741 176.094 -0.004 0.000 1.018 4462 V CA -0.940 61.354 62.300 -0.009 0.000 0.842 4462 V CB 1.526 33.343 31.823 -0.010 0.000 0.996 4462 V HN 0.806 nan 8.190 nan 0.000 0.426 4463 D N 2.246 122.645 120.400 -0.002 0.000 2.478 4463 D HA 0.093 4.733 4.640 -0.001 0.000 0.269 4463 D C 0.888 177.189 176.300 0.000 0.000 1.232 4463 D CA -0.494 53.506 54.000 -0.000 0.000 1.059 4463 D CB 0.703 41.504 40.800 0.001 0.000 1.104 4463 D HN 0.399 nan 8.370 nan 0.000 0.566 4464 D N -1.741 118.660 120.400 0.001 0.000 2.264 4464 D HA -0.088 4.551 4.640 -0.001 0.000 0.208 4464 D C 1.453 177.754 176.300 0.002 0.000 0.966 4464 D CA 0.623 54.624 54.000 0.002 0.000 0.864 4464 D CB 0.002 40.803 40.800 0.002 0.000 0.933 4464 D HN 0.185 nan 8.370 nan 0.000 0.499 4465 L N -1.005 120.220 121.223 0.003 0.000 2.558 4465 L HA 0.351 4.690 4.340 -0.001 0.000 0.225 4465 L C 1.952 178.825 176.870 0.004 0.000 1.128 4465 L CA 0.912 55.754 54.840 0.004 0.000 0.868 4465 L CB 0.144 42.206 42.059 0.004 0.000 1.006 4465 L HN 0.256 nan 8.230 nan 0.000 0.454 4466 G N -1.323 107.479 108.800 0.003 0.000 2.179 4466 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.220 4466 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.220 4466 G C 0.243 175.145 174.900 0.002 0.000 0.990 4466 G CA 0.101 45.202 45.100 0.002 0.000 0.646 4466 G HN 0.322 nan 8.290 nan 0.000 0.517 4467 D N 1.166 121.568 120.400 0.003 0.000 2.382 4467 D HA 0.393 5.033 4.640 -0.001 0.000 0.259 4467 D C 0.415 176.714 176.300 -0.003 0.000 1.224 4467 D CA 0.162 54.165 54.000 0.005 0.000 0.894 4467 D CB 1.097 41.902 40.800 0.008 0.000 1.127 4467 D HN 0.195 nan 8.370 nan 0.000 0.487 4468 V N 4.993 124.902 119.914 -0.009 0.000 2.347 4468 V HA 0.280 4.400 4.120 -0.001 0.000 0.280 4468 V C 0.128 176.205 176.094 -0.029 0.000 1.021 4468 V CA -0.794 61.491 62.300 -0.025 0.000 0.847 4468 V CB 1.580 33.377 31.823 -0.043 0.000 0.990 4468 V HN 0.333 nan 8.190 nan 0.000 0.444 4469 V N 6.044 125.945 119.914 -0.022 0.000 2.378 4469 V HA 0.449 4.569 4.120 -0.001 0.000 0.288 4469 V C -0.222 175.859 176.094 -0.022 0.000 1.016 4469 V CA -0.561 61.730 62.300 -0.017 0.000 0.840 4469 V CB 1.942 33.763 31.823 -0.004 0.000 0.994 4469 V HN 0.588 nan 8.190 nan 0.000 0.431 4470 V N 4.446 124.342 119.914 -0.029 0.000 2.357 4470 V HA 0.769 4.888 4.120 -0.001 0.000 0.284 4470 V C 0.103 176.189 176.094 -0.014 0.000 1.018 4470 V CA 0.019 62.302 62.300 -0.028 0.000 0.841 4470 V CB 1.589 33.386 31.823 -0.044 0.000 0.991 4470 V HN 0.976 nan 8.190 nan 0.000 0.437 4471 T N 2.640 117.188 114.554 -0.011 0.000 2.739 4471 T HA 0.305 4.655 4.350 -0.001 0.000 0.303 4471 T C 0.129 174.825 174.700 -0.007 0.000 1.389 4471 T CA -0.361 61.736 62.100 -0.005 0.000 1.001 4471 T CB 2.058 70.925 68.868 -0.001 0.000 1.436 4471 T HN 0.602 nan 8.240 nan 0.000 0.500 4472 N N 0.328 119.026 118.700 -0.004 0.000 2.210 4472 N HA 0.085 4.824 4.740 -0.001 0.000 0.203 4472 N C -0.778 174.728 175.510 -0.006 0.000 1.175 4472 N CA -0.019 53.027 53.050 -0.006 0.000 0.894 4472 N CB 0.444 38.928 38.487 -0.004 0.000 1.041 4472 N HN 0.552 nan 8.380 nan 0.000 0.506 4473 D N 0.358 120.756 120.400 -0.003 0.000 2.450 4473 D HA 0.093 4.733 4.640 -0.001 0.000 0.247 4473 D C 1.282 177.579 176.300 -0.004 0.000 1.162 4473 D CA 0.174 54.173 54.000 -0.002 0.000 0.879 4473 D CB 1.275 42.075 40.800 0.001 0.000 1.163 4473 D HN 0.290 nan 8.370 nan 0.000 0.472 4474 G N 1.660 110.456 108.800 -0.006 0.000 2.414 4474 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.215 4474 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.215 4474 G C 1.496 176.393 174.900 -0.005 0.000 1.188 4474 G CA 0.303 45.399 45.100 -0.008 0.000 0.783 4474 G HN 0.453 nan 8.290 nan 0.000 0.537 4475 V N 0.824 120.736 119.914 -0.003 0.000 2.515 4475 V HA -0.102 4.018 4.120 -0.001 0.000 0.250 4475 V C 2.970 179.064 176.094 0.000 0.000 1.058 4475 V CA 2.739 65.039 62.300 -0.001 0.000 1.064 4475 V CB -0.562 31.262 31.823 0.001 0.000 0.675 4475 V HN 0.401 nan 8.190 nan 0.000 0.461 4476 T N 0.562 115.116 114.554 0.000 0.000 2.777 4476 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 4476 T C 1.752 176.452 174.700 -0.000 0.000 1.040 4476 T CA 1.967 64.068 62.100 0.001 0.000 1.141 4476 T CB -0.256 68.613 68.868 0.001 0.000 0.868 4476 T HN 0.461 nan 8.240 nan 0.000 0.444 4477 I N 0.627 121.196 120.570 -0.002 0.000 2.208 4477 I HA -0.145 4.024 4.170 -0.001 0.000 0.245 4477 I C 1.981 178.097 176.117 -0.002 0.000 1.097 4477 I CA 0.943 62.241 61.300 -0.003 0.000 1.363 4477 I CB -0.264 37.733 38.000 -0.006 0.000 1.051 4477 I HN 0.162 nan 8.210 nan 0.000 0.413 4478 L N 0.171 121.394 121.223 -0.001 0.000 2.217 4478 L HA -0.079 4.261 4.340 -0.001 0.000 0.211 4478 L C 2.458 179.330 176.870 0.004 0.000 1.107 4478 L CA 1.560 56.401 54.840 0.001 0.000 0.783 4478 L CB -0.751 41.309 42.059 0.001 0.000 0.919 4478 L HN 0.103 nan 8.230 nan 0.000 0.442 4479 R N -1.071 119.431 120.500 0.003 0.000 2.100 4479 R HA -0.035 4.305 4.340 -0.001 0.000 0.220 4479 R C 1.962 178.264 176.300 0.004 0.000 1.091 4479 R CA 0.661 56.764 56.100 0.004 0.000 0.986 4479 R CB 0.002 30.305 30.300 0.004 0.000 0.888 4479 R HN 0.273 nan 8.270 nan 0.000 0.444 4480 E N 0.984 121.186 120.200 0.003 0.000 2.086 4480 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 4480 E C 1.283 177.884 176.600 0.002 0.000 0.975 4480 E CA 0.560 56.962 56.400 0.002 0.000 0.813 4480 E CB -0.105 29.596 29.700 0.001 0.000 0.768 4480 E HN 0.333 nan 8.360 nan 0.000 0.457 4481 M N -0.210 119.391 119.600 0.002 0.000 2.184 4481 M HA 0.099 4.579 4.480 -0.001 0.000 0.296 4481 M C 0.518 176.821 176.300 0.005 0.000 1.165 4481 M CA 0.359 55.660 55.300 0.002 0.000 1.175 4481 M CB 0.480 33.081 32.600 0.001 0.000 1.392 4481 M HN -0.239 nan 8.290 nan 0.000 0.457 4482 S N 1.534 117.239 115.700 0.007 0.000 2.466 4482 S HA 0.491 4.960 4.470 -0.001 0.000 0.313 4482 S C -0.894 173.715 174.600 0.015 0.000 1.078 4482 S CA -0.805 57.401 58.200 0.010 0.000 1.115 4482 S CB -0.014 63.192 63.200 0.010 0.000 1.006 4482 S HN 0.508 nan 8.310 nan 0.000 0.487 4483 V N 5.731 125.656 119.914 0.018 0.000 2.439 4483 V HA 0.425 4.545 4.120 -0.001 0.000 0.282 4483 V C 0.611 176.726 176.094 0.035 0.000 1.039 4483 V CA -0.405 61.912 62.300 0.028 0.000 0.913 4483 V CB 1.622 33.462 31.823 0.027 0.000 0.983 4483 V HN 0.793 nan 8.190 nan 0.000 0.460 4484 E N 1.146 121.378 120.200 0.052 0.000 2.228 4484 E HA 0.091 4.441 4.350 -0.001 0.000 0.197 4484 E C 0.722 177.357 176.600 0.058 0.000 0.909 4484 E CA 0.112 56.540 56.400 0.046 0.000 0.911 4484 E CB -0.004 29.722 29.700 0.044 0.000 0.887 4484 E HN 0.693 nan 8.360 nan 0.000 0.481 4485 H N 2.733 121.807 119.070 0.006 0.000 2.803 4485 H HA 0.043 4.599 4.556 -0.001 0.000 0.330 4485 H C -1.713 173.618 175.328 0.005 0.000 1.057 4485 H CA -1.410 54.642 56.048 0.007 0.000 1.458 4485 H CB 1.529 31.291 29.762 -0.001 0.000 1.470 4485 H HN -0.207 nan 8.280 nan 0.000 0.560 4486 P HA -0.147 nan 4.420 nan 0.000 0.216 4486 P C 1.075 178.485 177.300 0.183 0.000 1.150 4486 P CA 2.022 65.157 63.100 0.058 0.000 0.843 4486 P CB 0.118 31.793 31.700 -0.042 0.000 0.787 4487 A N 0.013 123.096 122.820 0.440 0.000 1.877 4487 A HA -0.090 4.229 4.320 -0.001 0.000 0.216 4487 A C 2.329 179.962 177.584 0.082 0.000 1.186 4487 A CA 2.076 54.232 52.037 0.198 0.000 0.620 4487 A CB -1.565 17.460 19.000 0.043 0.000 0.822 4487 A HN 0.201 nan 8.150 nan 0.000 0.443 4488 A N -0.364 122.506 122.820 0.084 0.000 1.969 4488 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 4488 A C 2.078 179.688 177.584 0.043 0.000 1.169 4488 A CA 1.657 53.714 52.037 0.034 0.000 0.635 4488 A CB -0.359 18.657 19.000 0.027 0.000 0.810 4488 A HN 0.542 nan 8.150 nan 0.000 0.445 4489 K N -0.956 119.482 120.400 0.065 0.000 2.097 4489 K HA -0.034 4.285 4.320 -0.001 0.000 0.205 4489 K C 1.855 178.475 176.600 0.035 0.000 1.050 4489 K CA 1.293 57.606 56.287 0.043 0.000 0.938 4489 K CB -0.190 32.334 32.500 0.041 0.000 0.718 4489 K HN 0.347 nan 8.250 nan 0.000 0.442 4490 M N 0.622 120.247 119.600 0.041 0.000 2.288 4490 M HA -0.051 4.428 4.480 -0.001 0.000 0.266 4490 M C 2.168 178.482 176.300 0.024 0.000 1.072 4490 M CA 1.033 56.352 55.300 0.032 0.000 1.132 4490 M CB -0.668 31.954 32.600 0.037 0.000 1.386 4490 M HN 0.200 nan 8.290 nan 0.000 0.432 4491 L N 0.370 121.606 121.223 0.021 0.000 2.046 4491 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 4491 L C 2.224 179.099 176.870 0.009 0.000 1.077 4491 L CA 1.226 56.072 54.840 0.010 0.000 0.747 4491 L CB -0.175 41.885 42.059 0.001 0.000 0.896 4491 L HN 0.156 nan 8.230 nan 0.000 0.432 4492 I N -0.332 120.245 120.570 0.012 0.000 2.208 4492 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 4492 I C 2.468 178.591 176.117 0.010 0.000 1.097 4492 I CA 1.052 62.358 61.300 0.010 0.000 1.363 4492 I CB -0.403 37.604 38.000 0.012 0.000 1.051 4492 I HN 0.311 nan 8.210 nan 0.000 0.413 4493 E N 0.468 120.675 120.200 0.013 0.000 2.118 4493 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 4493 E C 2.419 179.026 176.600 0.011 0.000 0.992 4493 E CA 1.162 57.569 56.400 0.012 0.000 0.804 4493 E CB -0.260 29.449 29.700 0.015 0.000 0.741 4493 E HN 0.367 nan 8.360 nan 0.000 0.458 4494 V N 1.469 121.390 119.914 0.011 0.000 2.358 4494 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 4494 V C 2.462 178.559 176.094 0.006 0.000 1.047 4494 V CA 1.716 64.022 62.300 0.010 0.000 1.035 4494 V CB -0.808 31.021 31.823 0.009 0.000 0.658 4494 V HN 0.239 nan 8.190 nan 0.000 0.452 4495 A N -0.318 122.504 122.820 0.004 0.000 1.933 4495 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 4495 A C 2.283 179.869 177.584 0.003 0.000 1.175 4495 A CA 1.822 53.860 52.037 0.001 0.000 0.628 4495 A CB -0.400 18.600 19.000 -0.000 0.000 0.814 4495 A HN 0.543 nan 8.150 nan 0.000 0.444 4496 K N -0.929 119.474 120.400 0.005 0.000 2.155 4496 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 4496 K C 1.970 178.574 176.600 0.006 0.000 1.052 4496 K CA 1.513 57.803 56.287 0.005 0.000 0.948 4496 K CB -0.279 32.225 32.500 0.006 0.000 0.728 4496 K HN 0.460 nan 8.250 nan 0.000 0.448 4497 T N 1.191 115.749 114.554 0.007 0.000 2.777 4497 T HA -0.182 4.168 4.350 -0.001 0.000 0.266 4497 T C 1.830 176.534 174.700 0.007 0.000 1.040 4497 T CA 1.361 63.466 62.100 0.008 0.000 1.141 4497 T CB -0.129 68.745 68.868 0.010 0.000 0.868 4497 T HN 0.179 nan 8.240 nan 0.000 0.444 4498 Q N 1.394 121.197 119.800 0.005 0.000 2.096 4498 Q HA -0.128 4.212 4.340 -0.001 0.000 0.204 4498 Q C 2.100 178.102 176.000 0.004 0.000 0.982 4498 Q CA 1.923 57.728 55.803 0.004 0.000 0.850 4498 Q CB -0.265 28.474 28.738 0.001 0.000 0.901 4498 Q HN 0.679 nan 8.270 nan 0.000 0.422 4499 E N -0.741 119.461 120.200 0.003 0.000 2.072 4499 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 4499 E C 1.591 178.193 176.600 0.004 0.000 0.985 4499 E CA 0.976 57.378 56.400 0.003 0.000 0.801 4499 E CB 0.062 29.764 29.700 0.003 0.000 0.750 4499 E HN 0.139 nan 8.360 nan 0.000 0.452 4500 K N 0.371 120.774 120.400 0.004 0.000 2.147 4500 K HA -0.115 4.204 4.320 -0.001 0.000 0.205 4500 K C 1.940 178.543 176.600 0.005 0.000 1.049 4500 K CA 0.998 57.288 56.287 0.005 0.000 0.936 4500 K CB 0.027 32.530 32.500 0.005 0.000 0.722 4500 K HN 0.239 nan 8.250 nan 0.000 0.446 4501 E N -0.010 120.193 120.200 0.006 0.000 2.045 4501 E HA -0.022 4.328 4.350 -0.001 0.000 0.190 4501 E C 2.227 178.831 176.600 0.006 0.000 0.968 4501 E CA 0.759 57.163 56.400 0.006 0.000 0.813 4501 E CB -0.047 29.657 29.700 0.008 0.000 0.780 4501 E HN -0.025 nan 8.360 nan 0.000 0.455 4502 V N -0.790 119.128 119.914 0.006 0.000 2.788 4502 V HA 0.207 4.327 4.120 -0.001 0.000 0.241 4502 V C 1.678 177.775 176.094 0.005 0.000 1.083 4502 V CA 1.159 63.462 62.300 0.006 0.000 1.103 4502 V CB 0.280 32.106 31.823 0.005 0.000 0.800 4502 V HN 0.509 nan 8.190 nan 0.000 0.476 4503 G N 0.297 109.100 108.800 0.004 0.000 4.677 4503 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.215 4503 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.215 4503 G C 0.168 175.070 174.900 0.004 0.000 1.506 4503 G CA 0.326 45.429 45.100 0.004 0.000 1.016 4503 G HN 0.481 nan 8.290 nan 0.000 0.653 4504 D N 1.668 122.071 120.400 0.005 0.000 2.377 4504 D HA 0.486 5.125 4.640 -0.001 0.000 0.245 4504 D C 1.481 177.783 176.300 0.003 0.000 1.196 4504 D CA 1.589 55.592 54.000 0.005 0.000 0.962 4504 D CB 0.391 41.196 40.800 0.008 0.000 1.127 4504 D HN 1.800 nan 8.370 nan 0.000 0.471 4505 G N 0.236 109.037 108.800 0.001 0.000 2.147 4505 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 4505 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 4505 G C 1.019 175.915 174.900 -0.007 0.000 1.005 4505 G CA 1.325 46.422 45.100 -0.004 0.000 0.713 4505 G HN 0.658 nan 8.290 nan 0.000 0.515 4506 T N -3.390 111.161 114.554 -0.006 0.000 2.833 4506 T HA -0.083 4.266 4.350 -0.001 0.000 0.269 4506 T C 2.202 176.895 174.700 -0.012 0.000 1.054 4506 T CA 2.461 64.557 62.100 -0.007 0.000 1.135 4506 T CB -0.366 68.499 68.868 -0.005 0.000 0.869 4506 T HN 0.308 nan 8.240 nan 0.000 0.466 4507 T N 1.884 116.429 114.554 -0.015 0.000 2.732 4507 T HA -0.044 4.305 4.350 -0.001 0.000 0.261 4507 T C 2.294 176.978 174.700 -0.027 0.000 1.040 4507 T CA 1.695 63.782 62.100 -0.021 0.000 1.145 4507 T CB -0.923 67.932 68.868 -0.022 0.000 0.866 4507 T HN 0.471 nan 8.240 nan 0.000 0.427 4508 T N 2.331 116.869 114.554 -0.026 0.000 2.665 4508 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 4508 T C 2.364 177.041 174.700 -0.038 0.000 1.035 4508 T CA 1.358 63.438 62.100 -0.034 0.000 1.151 4508 T CB -0.645 68.206 68.868 -0.029 0.000 0.862 4508 T HN 0.424 nan 8.240 nan 0.000 0.438 4509 A N 0.786 123.589 122.820 -0.030 0.000 1.908 4509 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 4509 A C 2.596 180.160 177.584 -0.034 0.000 1.181 4509 A CA 1.619 53.638 52.037 -0.029 0.000 0.627 4509 A CB -0.974 18.016 19.000 -0.017 0.000 0.818 4509 A HN 0.384 nan 8.150 nan 0.000 0.445 4510 V N -0.603 119.292 119.914 -0.030 0.000 2.453 4510 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 4510 V C 2.545 178.613 176.094 -0.043 0.000 1.048 4510 V CA 1.710 63.991 62.300 -0.031 0.000 1.049 4510 V CB -0.589 31.219 31.823 -0.026 0.000 0.672 4510 V HN 0.365 nan 8.190 nan 0.000 0.457 4511 V N -0.197 119.689 119.914 -0.047 0.000 2.343 4511 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 4511 V C 2.438 178.488 176.094 -0.074 0.000 1.051 4511 V CA 1.876 64.142 62.300 -0.056 0.000 1.036 4511 V CB -0.413 31.377 31.823 -0.055 0.000 0.654 4511 V HN 0.400 nan 8.190 nan 0.000 0.451 4512 V N 0.360 120.225 119.914 -0.083 0.000 2.295 4512 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 4512 V C 2.704 178.721 176.094 -0.128 0.000 1.049 4512 V CA 2.105 64.334 62.300 -0.119 0.000 1.024 4512 V CB -1.124 30.627 31.823 -0.121 0.000 0.648 4512 V HN 0.562 nan 8.190 nan 0.000 0.447 4513 A N 0.326 123.092 122.820 -0.089 0.000 1.972 4513 A HA -0.049 4.271 4.320 -0.001 0.000 0.219 4513 A C 2.375 179.924 177.584 -0.058 0.000 1.169 4513 A CA 1.795 53.791 52.037 -0.068 0.000 0.635 4513 A CB -1.066 17.913 19.000 -0.035 0.000 0.810 4513 A HN 0.534 nan 8.150 nan 0.000 0.446 4514 G N -0.373 108.392 108.800 -0.059 0.000 2.404 4514 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.215 4514 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.215 4514 G C 1.483 176.350 174.900 -0.054 0.000 1.174 4514 G CA 1.274 46.344 45.100 -0.051 0.000 0.780 4514 G HN 0.544 nan 8.290 nan 0.000 0.537 4515 E N -0.002 120.154 120.200 -0.074 0.000 2.152 4515 E HA -0.033 4.316 4.350 -0.001 0.000 0.192 4515 E C 2.284 178.832 176.600 -0.086 0.000 0.983 4515 E CA 0.371 56.724 56.400 -0.078 0.000 0.818 4515 E CB -0.407 29.235 29.700 -0.098 0.000 0.758 4515 E HN 0.258 nan 8.360 nan 0.000 0.467 4516 L N 0.111 121.258 121.223 -0.126 0.000 2.083 4516 L HA -0.068 4.271 4.340 -0.001 0.000 0.209 4516 L C 2.025 178.893 176.870 -0.004 0.000 1.083 4516 L CA 1.587 56.328 54.840 -0.165 0.000 0.752 4516 L CB -0.412 41.500 42.059 -0.246 0.000 0.899 4516 L HN 0.256 nan 8.230 nan 0.000 0.433 4517 L N -1.165 120.066 121.223 0.013 0.000 2.093 4517 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 4517 L C 2.732 179.627 176.870 0.042 0.000 1.085 4517 L CA 0.978 55.850 54.840 0.054 0.000 0.755 4517 L CB -0.445 41.624 42.059 0.017 0.000 0.904 4517 L HN 0.216 nan 8.230 nan 0.000 0.435 4518 R N -0.123 120.382 120.500 0.009 0.000 2.081 4518 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 4518 R C 2.285 178.602 176.300 0.028 0.000 1.131 4518 R CA 0.923 57.025 56.100 0.004 0.000 0.960 4518 R CB -0.143 30.147 30.300 -0.017 0.000 0.856 4518 R HN 0.217 nan 8.270 nan 0.000 0.436 4519 K N 0.377 120.804 120.400 0.046 0.000 2.148 4519 K HA -0.027 4.292 4.320 -0.001 0.000 0.204 4519 K C 2.024 178.722 176.600 0.163 0.000 1.050 4519 K CA 1.197 57.538 56.287 0.090 0.000 0.942 4519 K CB -0.160 32.388 32.500 0.080 0.000 0.724 4519 K HN 0.142 nan 8.250 nan 0.000 0.446 4520 A N 1.604 124.555 122.820 0.219 0.000 1.898 4520 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 4520 A C 2.137 179.756 177.584 0.059 0.000 1.181 4520 A CA 1.368 53.511 52.037 0.178 0.000 0.620 4520 A CB -0.287 18.851 19.000 0.231 0.000 0.819 4520 A HN 0.247 nan 8.150 nan 0.000 0.442 4521 E N 0.267 120.495 120.200 0.046 0.000 2.150 4521 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 4521 E C 1.775 178.381 176.600 0.010 0.000 0.985 4521 E CA 1.279 57.687 56.400 0.012 0.000 0.814 4521 E CB -0.150 29.551 29.700 0.001 0.000 0.752 4521 E HN 0.762 nan 8.360 nan 0.000 0.466 4522 E N 0.206 120.420 120.200 0.023 0.000 2.106 4522 E HA -0.118 4.232 4.350 -0.001 0.000 0.192 4522 E C 2.345 178.956 176.600 0.019 0.000 0.984 4522 E CA 0.682 57.094 56.400 0.019 0.000 0.806 4522 E CB -0.006 29.709 29.700 0.026 0.000 0.750 4522 E HN 0.251 nan 8.360 nan 0.000 0.458 4523 L N 0.309 121.548 121.223 0.027 0.000 2.046 4523 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 4523 L C 2.225 179.090 176.870 -0.009 0.000 1.077 4523 L CA 0.507 55.355 54.840 0.012 0.000 0.747 4523 L CB -0.238 41.824 42.059 0.006 0.000 0.896 4523 L HN 0.168 nan 8.230 nan 0.000 0.432 4524 L N -0.179 121.033 121.223 -0.019 0.000 2.093 4524 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 4524 L C 2.105 178.962 176.870 -0.023 0.000 1.085 4524 L CA 1.720 56.540 54.840 -0.035 0.000 0.755 4524 L CB -0.787 41.247 42.059 -0.041 0.000 0.904 4524 L HN 0.247 nan 8.230 nan 0.000 0.435 4525 D N -1.281 119.112 120.400 -0.011 0.000 2.144 4525 D HA -0.171 4.468 4.640 -0.001 0.000 0.200 4525 D C 1.791 178.090 176.300 -0.002 0.000 0.978 4525 D CA 0.774 54.770 54.000 -0.006 0.000 0.833 4525 D CB 0.162 40.961 40.800 -0.002 0.000 0.961 4525 D HN 0.224 nan 8.370 nan 0.000 0.470 4526 Q N 0.082 119.883 119.800 0.001 0.000 2.466 4526 Q HA 0.010 4.349 4.340 -0.001 0.000 0.210 4526 Q C 0.208 176.211 176.000 0.004 0.000 0.961 4526 Q CA 0.192 55.998 55.803 0.005 0.000 0.953 4526 Q CB -0.077 28.667 28.738 0.011 0.000 1.011 4526 Q HN 0.319 nan 8.270 nan 0.000 0.516 4527 N N -0.619 118.080 118.700 -0.002 0.000 2.776 4527 N HA -0.154 4.586 4.740 -0.001 0.000 0.249 4527 N C -1.323 174.192 175.510 0.008 0.000 1.111 4527 N CA 0.300 53.350 53.050 0.000 0.000 0.711 4527 N CB -1.150 37.341 38.487 0.008 0.000 1.065 4527 N HN -0.025 nan 8.380 nan 0.000 0.556 4528 V N 1.927 121.841 119.914 -0.001 0.000 2.385 4528 V HA 0.126 4.246 4.120 -0.001 0.000 0.269 4528 V C 0.934 177.029 176.094 0.000 0.000 1.043 4528 V CA -0.729 61.577 62.300 0.009 0.000 0.906 4528 V CB 1.015 32.835 31.823 -0.005 0.000 0.995 4528 V HN 0.327 nan 8.190 nan 0.000 0.467 4529 H N 8.339 127.390 119.070 -0.032 0.000 3.034 4529 H HA 0.040 4.596 4.556 -0.001 0.000 0.324 4529 H C -1.684 173.612 175.328 -0.052 0.000 1.015 4529 H CA -1.221 54.807 56.048 -0.034 0.000 1.429 4529 H CB 1.645 31.390 29.762 -0.028 0.000 1.429 4529 H HN 0.380 nan 8.280 nan 0.000 0.585 4530 P HA -0.178 nan 4.420 nan 0.000 0.217 4530 P C 1.522 178.852 177.300 0.050 0.000 1.148 4530 P CA 1.799 64.835 63.100 -0.106 0.000 0.834 4530 P CB 0.069 31.665 31.700 -0.174 0.000 0.783 4531 T N -1.746 113.001 114.554 0.321 0.000 2.915 4531 T HA -0.078 4.272 4.350 -0.001 0.000 0.269 4531 T C 1.572 176.296 174.700 0.040 0.000 1.071 4531 T CA 0.755 62.946 62.100 0.152 0.000 1.132 4531 T CB -0.515 68.403 68.868 0.084 0.000 0.878 4531 T HN -0.149 nan 8.240 nan 0.000 0.479 4532 I N 0.721 121.321 120.570 0.049 0.000 2.333 4532 I HA -0.014 4.155 4.170 -0.001 0.000 0.246 4532 I C 2.539 178.593 176.117 -0.105 0.000 1.106 4532 I CA 0.814 62.103 61.300 -0.019 0.000 1.411 4532 I CB -1.314 36.688 38.000 0.004 0.000 1.082 4532 I HN 0.151 nan 8.210 nan 0.000 0.420 4533 V N 0.736 120.549 119.914 -0.167 0.000 2.343 4533 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 4533 V C 2.699 178.468 176.094 -0.542 0.000 1.051 4533 V CA 1.307 63.350 62.300 -0.427 0.000 1.036 4533 V CB -0.559 31.028 31.823 -0.395 0.000 0.654 4533 V HN 0.167 nan 8.190 nan 0.000 0.451 4534 V N 0.057 119.821 119.914 -0.249 0.000 2.261 4534 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 4534 V C 2.485 178.540 176.094 -0.066 0.000 1.047 4534 V CA 2.380 64.610 62.300 -0.116 0.000 1.015 4534 V CB -0.673 31.128 31.823 -0.037 0.000 0.642 4534 V HN 0.531 nan 8.190 nan 0.000 0.446 4535 K N 1.115 121.476 120.400 -0.065 0.000 2.026 4535 K HA -0.106 4.214 4.320 -0.001 0.000 0.208 4535 K C 2.051 178.627 176.600 -0.039 0.000 1.048 4535 K CA 1.947 58.209 56.287 -0.040 0.000 0.929 4535 K CB -1.168 31.311 32.500 -0.035 0.000 0.713 4535 K HN 0.387 nan 8.250 nan 0.000 0.439 4536 G N -0.809 107.960 108.800 -0.051 0.000 2.418 4536 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.217 4536 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.217 4536 G C 1.211 176.145 174.900 0.057 0.000 1.158 4536 G CA 0.836 45.939 45.100 0.005 0.000 0.771 4536 G HN 0.268 nan 8.290 nan 0.000 0.545 4537 Y N 0.405 120.629 120.300 -0.128 0.000 2.200 4537 Y HA -0.044 4.505 4.550 -0.001 0.000 0.290 4537 Y C 2.891 178.546 175.900 -0.410 0.000 1.137 4537 Y CA 1.078 59.018 58.100 -0.267 0.000 1.163 4537 Y CB -0.947 37.544 38.460 0.052 0.000 0.988 4537 Y HN 0.270 nan 8.280 nan 0.000 0.518 4538 Q N 0.319 120.107 119.800 -0.019 0.000 2.123 4538 Q HA -0.031 4.309 4.340 -0.001 0.000 0.199 4538 Q C 2.290 178.219 176.000 -0.118 0.000 0.966 4538 Q CA 1.528 57.300 55.803 -0.052 0.000 0.845 4538 Q CB -0.404 28.329 28.738 -0.008 0.000 0.907 4538 Q HN 0.328 nan 8.270 nan 0.000 0.439 4539 A N 0.270 123.018 122.820 -0.120 0.000 1.855 4539 A HA -0.006 4.314 4.320 -0.001 0.000 0.215 4539 A C 2.278 179.768 177.584 -0.157 0.000 1.191 4539 A CA 1.861 53.835 52.037 -0.106 0.000 0.613 4539 A CB -1.195 17.765 19.000 -0.066 0.000 0.829 4539 A HN 0.494 nan 8.150 nan 0.000 0.442 4540 A N -0.320 122.316 122.820 -0.307 0.000 1.930 4540 A HA 0.232 4.552 4.320 -0.001 0.000 0.217 4540 A C 2.458 179.792 177.584 -0.416 0.000 1.175 4540 A CA 1.874 53.682 52.037 -0.380 0.000 0.627 4540 A CB -0.904 17.731 19.000 -0.608 0.000 0.815 4540 A HN 1.028 nan 8.150 nan 0.000 0.443 4541 A N -1.075 121.365 122.820 -0.632 0.000 1.930 4541 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 4541 A C 2.098 179.662 177.584 -0.033 0.000 1.175 4541 A CA 1.544 53.472 52.037 -0.180 0.000 0.627 4541 A CB -0.399 18.545 19.000 -0.093 0.000 0.815 4541 A HN 0.481 nan 8.150 nan 0.000 0.443 4542 Q N -0.069 119.694 119.800 -0.063 0.000 2.124 4542 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 4542 Q C 1.752 177.760 176.000 0.013 0.000 0.977 4542 Q CA 1.213 57.005 55.803 -0.017 0.000 0.850 4542 Q CB -0.269 28.451 28.738 -0.031 0.000 0.901 4542 Q HN 0.516 nan 8.270 nan 0.000 0.429 4543 K N 0.229 120.645 120.400 0.027 0.000 2.167 4543 K HA 0.099 4.418 4.320 -0.001 0.000 0.203 4543 K C 1.946 178.635 176.600 0.148 0.000 1.052 4543 K CA 0.802 57.149 56.287 0.100 0.000 0.956 4543 K CB -0.105 32.502 32.500 0.179 0.000 0.735 4543 K HN 0.113 nan 8.250 nan 0.000 0.451 4544 A N 1.576 124.475 122.820 0.132 0.000 1.902 4544 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 4544 A C 2.132 179.780 177.584 0.107 0.000 1.181 4544 A CA 1.376 53.502 52.037 0.148 0.000 0.623 4544 A CB -0.382 18.755 19.000 0.229 0.000 0.818 4544 A HN 0.351 nan 8.150 nan 0.000 0.443 4545 Q N -0.881 118.971 119.800 0.087 0.000 2.172 4545 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 4545 Q C 1.882 177.917 176.000 0.057 0.000 0.964 4545 Q CA 1.099 56.940 55.803 0.064 0.000 0.855 4545 Q CB -0.089 28.679 28.738 0.050 0.000 0.918 4545 Q HN 0.581 nan 8.270 nan 0.000 0.444 4546 E N 0.531 120.768 120.200 0.062 0.000 2.110 4546 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 4546 E C 1.948 178.593 176.600 0.075 0.000 0.988 4546 E CA 0.799 57.234 56.400 0.058 0.000 0.804 4546 E CB 0.004 29.736 29.700 0.052 0.000 0.745 4546 E HN 0.218 nan 8.360 nan 0.000 0.458 4547 L N 0.456 121.739 121.223 0.100 0.000 2.093 4547 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 4547 L C 2.423 179.335 176.870 0.069 0.000 1.085 4547 L CA 1.123 56.023 54.840 0.100 0.000 0.755 4547 L CB -0.820 41.306 42.059 0.111 0.000 0.904 4547 L HN 0.095 nan 8.230 nan 0.000 0.435 4548 L N -1.031 120.229 121.223 0.062 0.000 2.093 4548 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 4548 L C 2.431 179.326 176.870 0.041 0.000 1.085 4548 L CA 1.195 56.063 54.840 0.047 0.000 0.755 4548 L CB -0.450 41.635 42.059 0.043 0.000 0.904 4548 L HN 0.231 nan 8.230 nan 0.000 0.435 4549 K N -0.771 119.653 120.400 0.041 0.000 2.155 4549 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 4549 K C 2.045 178.665 176.600 0.034 0.000 1.052 4549 K CA 1.444 57.752 56.287 0.033 0.000 0.948 4549 K CB -0.135 32.383 32.500 0.030 0.000 0.728 4549 K HN 0.263 nan 8.250 nan 0.000 0.448 4550 T N 1.951 116.530 114.554 0.042 0.000 2.777 4550 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 4550 T C 1.852 176.574 174.700 0.037 0.000 1.040 4550 T CA 1.265 63.390 62.100 0.042 0.000 1.141 4550 T CB -0.121 68.781 68.868 0.057 0.000 0.868 4550 T HN 0.384 nan 8.240 nan 0.000 0.444 4551 I N -0.454 120.140 120.570 0.040 0.000 3.728 4551 I HA 0.474 4.643 4.170 -0.001 0.000 0.307 4551 I C 1.018 177.153 176.117 0.030 0.000 1.276 4551 I CA -0.598 60.724 61.300 0.037 0.000 1.285 4551 I CB -0.426 37.602 38.000 0.047 0.000 1.038 4551 I HN -0.056 nan 8.210 nan 0.000 0.445 4552 A N 1.500 124.337 122.820 0.028 0.000 2.567 4552 A HA 0.122 4.441 4.320 -0.001 0.000 0.240 4552 A C 0.098 177.693 177.584 0.019 0.000 1.053 4552 A CA -0.000 52.051 52.037 0.023 0.000 0.755 4552 A CB -0.183 18.831 19.000 0.022 0.000 0.978 4552 A HN 0.639 nan 8.150 nan 0.000 0.507 4553 C N 3.756 123.066 119.300 0.016 0.000 2.273 4553 C HA 0.448 4.907 4.460 -0.001 0.000 0.328 4553 C C 0.317 175.313 174.990 0.011 0.000 1.275 4553 C CA -0.682 58.344 59.018 0.013 0.000 1.704 4553 C CB -0.794 26.954 27.740 0.012 0.000 2.326 4553 C HN 0.881 nan 8.230 nan 0.000 0.517 4554 E N 3.689 123.894 120.200 0.010 0.000 2.316 4554 E HA 0.423 4.773 4.350 -0.001 0.000 0.275 4554 E C -0.113 176.491 176.600 0.007 0.000 1.029 4554 E CA -0.062 56.343 56.400 0.008 0.000 0.871 4554 E CB 1.166 30.870 29.700 0.008 0.000 1.022 4554 E HN 0.700 nan 8.360 nan 0.000 0.418 4555 V N -0.510 119.408 119.914 0.006 0.000 3.040 4555 V HA 0.729 4.849 4.120 -0.001 0.000 0.312 4555 V C 0.321 176.418 176.094 0.005 0.000 1.115 4555 V CA -1.135 61.168 62.300 0.005 0.000 0.998 4555 V CB 1.673 33.499 31.823 0.005 0.000 1.042 4555 V HN 0.660 nan 8.190 nan 0.000 0.433 4556 G N 0.615 109.417 108.800 0.004 0.000 2.365 4556 G HA2 0.481 4.441 3.960 -0.001 0.000 0.249 4556 G HA3 0.481 4.441 3.960 -0.001 0.000 0.249 4556 G C 0.966 175.868 174.900 0.004 0.000 1.288 4556 G CA 0.127 45.230 45.100 0.003 0.000 0.887 4556 G HN 1.657 nan 8.290 nan 0.000 0.524 4557 A N 2.345 125.168 122.820 0.004 0.000 1.940 4557 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 4557 A C 1.943 179.529 177.584 0.004 0.000 1.176 4557 A CA 1.198 53.237 52.037 0.004 0.000 0.631 4557 A CB -0.002 19.000 19.000 0.004 0.000 0.814 4557 A HN 0.516 nan 8.150 nan 0.000 0.446 4558 Q N 0.006 119.808 119.800 0.003 0.000 2.201 4558 Q HA 0.107 4.447 4.340 -0.001 0.000 0.236 4558 Q C -0.945 175.057 176.000 0.002 0.000 0.857 4558 Q CA -0.132 55.673 55.803 0.003 0.000 1.025 4558 Q CB 0.025 28.765 28.738 0.003 0.000 1.124 4558 Q HN 0.720 nan 8.270 nan 0.000 0.473 4559 D N 0.728 121.130 120.400 0.002 0.000 2.344 4559 D HA 0.005 4.644 4.640 -0.001 0.000 0.253 4559 D C 1.250 177.551 176.300 0.001 0.000 1.255 4559 D CA 0.064 54.065 54.000 0.001 0.000 0.894 4559 D CB 0.884 41.684 40.800 0.001 0.000 1.067 4559 D HN -0.218 nan 8.370 nan 0.000 0.492 4560 K N 3.409 123.809 120.400 0.000 0.000 2.077 4560 K HA -0.293 4.027 4.320 -0.001 0.000 0.213 4560 K C 1.553 178.152 176.600 -0.002 0.000 1.051 4560 K CA 2.068 58.355 56.287 -0.001 0.000 0.929 4560 K CB -0.105 32.394 32.500 -0.001 0.000 0.715 4560 K HN 0.660 nan 8.250 nan 0.000 0.451 4561 E N -0.450 119.748 120.200 -0.003 0.000 2.023 4561 E HA -0.222 4.128 4.350 -0.001 0.000 0.196 4561 E C 1.993 178.591 176.600 -0.004 0.000 1.003 4561 E CA 1.659 58.057 56.400 -0.004 0.000 0.809 4561 E CB -0.275 29.423 29.700 -0.004 0.000 0.755 4561 E HN 0.340 nan 8.360 nan 0.000 0.449 4562 I N 0.581 121.150 120.570 -0.002 0.000 2.454 4562 I HA -0.203 3.967 4.170 -0.001 0.000 0.254 4562 I C 1.878 177.995 176.117 0.000 0.000 1.156 4562 I CA 0.729 62.029 61.300 -0.000 0.000 1.433 4562 I CB -0.060 37.941 38.000 0.002 0.000 1.082 4562 I HN 0.212 nan 8.210 nan 0.000 0.432 4563 L N 0.065 121.288 121.223 -0.000 0.000 2.141 4563 L HA -0.141 4.198 4.340 -0.001 0.000 0.209 4563 L C 2.644 179.513 176.870 -0.001 0.000 1.094 4563 L CA 2.297 57.137 54.840 0.001 0.000 0.763 4563 L CB -1.566 40.494 42.059 0.001 0.000 0.908 4563 L HN 0.493 nan 8.230 nan 0.000 0.437 4564 T N -4.953 109.599 114.554 -0.003 0.000 3.035 4564 T HA -0.068 4.282 4.350 -0.001 0.000 0.259 4564 T C 1.898 176.593 174.700 -0.009 0.000 1.078 4564 T CA 0.434 62.530 62.100 -0.006 0.000 1.132 4564 T CB -0.064 68.799 68.868 -0.008 0.000 0.900 4564 T HN 0.178 nan 8.240 nan 0.000 0.480 4565 K N 0.616 121.011 120.400 -0.007 0.000 2.057 4565 K HA 0.098 4.417 4.320 -0.001 0.000 0.206 4565 K C 2.144 178.742 176.600 -0.003 0.000 1.050 4565 K CA 0.963 57.245 56.287 -0.008 0.000 0.935 4565 K CB -0.183 32.314 32.500 -0.006 0.000 0.715 4565 K HN 0.252 nan 8.250 nan 0.000 0.439 4566 I N 1.302 121.873 120.570 0.001 0.000 2.179 4566 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 4566 I C 2.518 178.638 176.117 0.006 0.000 1.088 4566 I CA 1.267 62.570 61.300 0.005 0.000 1.357 4566 I CB -1.344 36.659 38.000 0.006 0.000 1.051 4566 I HN 0.104 nan 8.210 nan 0.000 0.409 4567 A N 0.772 123.593 122.820 0.003 0.000 1.865 4567 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 4567 A C 2.397 179.982 177.584 0.002 0.000 1.191 4567 A CA 1.899 53.938 52.037 0.003 0.000 0.623 4567 A CB -0.660 18.341 19.000 0.000 0.000 0.826 4567 A HN 0.356 nan 8.150 nan 0.000 0.444 4568 M N -0.839 118.758 119.600 -0.005 0.000 2.159 4568 M HA -0.122 4.357 4.480 -0.001 0.000 0.263 4568 M C 2.208 178.504 176.300 -0.006 0.000 1.063 4568 M CA 1.790 57.082 55.300 -0.014 0.000 1.110 4568 M CB -0.641 31.941 32.600 -0.031 0.000 1.374 4568 M HN 0.472 nan 8.290 nan 0.000 0.411 4569 T N -0.245 114.312 114.554 0.004 0.000 2.665 4569 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 4569 T C 1.954 176.679 174.700 0.043 0.000 1.035 4569 T CA 2.020 64.135 62.100 0.026 0.000 1.151 4569 T CB -0.319 68.564 68.868 0.026 0.000 0.862 4569 T HN 0.398 nan 8.240 nan 0.000 0.438 4570 S N 0.205 115.923 115.700 0.029 0.000 2.371 4570 S HA 0.034 4.503 4.470 -0.001 0.000 0.224 4570 S C 2.057 176.679 174.600 0.037 0.000 1.029 4570 S CA 0.570 58.789 58.200 0.031 0.000 0.978 4570 S CB -0.429 62.783 63.200 0.021 0.000 0.833 4570 S HN 0.451 nan 8.310 nan 0.000 0.466 4571 I N 1.679 122.266 120.570 0.028 0.000 2.226 4571 I HA -0.105 4.065 4.170 -0.001 0.000 0.245 4571 I C 1.322 177.466 176.117 0.045 0.000 1.100 4571 I CA 0.967 62.283 61.300 0.026 0.000 1.374 4571 I CB -0.936 37.070 38.000 0.010 0.000 1.057 4571 I HN 0.415 nan 8.210 nan 0.000 0.413 4572 T N -0.406 114.181 114.554 0.054 0.000 2.903 4572 T HA 0.325 4.675 4.350 -0.001 0.000 0.314 4572 T C 1.083 175.912 174.700 0.215 0.000 1.078 4572 T CA 0.090 62.250 62.100 0.101 0.000 1.114 4572 T CB 1.224 70.117 68.868 0.042 0.000 0.987 4572 T HN 0.637 nan 8.240 nan 0.000 0.548 4573 G N 0.494 109.470 108.800 0.294 0.000 2.141 4573 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.242 4573 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.242 4573 G C -0.134 174.831 174.900 0.109 0.000 0.982 4573 G CA 0.317 45.548 45.100 0.220 0.000 0.662 4573 G HN 0.947 nan 8.290 nan 0.000 0.527 4574 K N -0.203 120.254 120.400 0.095 0.000 2.328 4574 K HA 0.707 5.027 4.320 -0.001 0.000 0.246 4574 K C 1.565 178.196 176.600 0.052 0.000 0.955 4574 K CA 0.179 56.500 56.287 0.058 0.000 0.817 4574 K CB 0.971 33.498 32.500 0.045 0.000 1.208 4574 K HN 0.282 nan 8.250 nan 0.000 0.432 4575 G N 1.151 109.975 108.800 0.039 0.000 2.450 4575 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.220 4575 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.220 4575 G C 1.049 175.965 174.900 0.028 0.000 1.130 4575 G CA 1.035 46.155 45.100 0.033 0.000 0.760 4575 G HN 0.638 nan 8.290 nan 0.000 0.557 4576 A N 1.347 124.183 122.820 0.027 0.000 2.209 4576 A HA 0.092 4.411 4.320 -0.001 0.000 0.212 4576 A C 2.090 179.683 177.584 0.015 0.000 1.158 4576 A CA 1.497 53.546 52.037 0.020 0.000 0.742 4576 A CB -0.380 18.632 19.000 0.020 0.000 0.790 4576 A HN 0.660 nan 8.150 nan 0.000 0.472 4577 E N 1.379 121.590 120.200 0.019 0.000 2.333 4577 E HA -0.283 4.067 4.350 -0.001 0.000 0.198 4577 E C 1.557 178.153 176.600 -0.006 0.000 1.007 4577 E CA 1.302 57.705 56.400 0.005 0.000 0.845 4577 E CB -0.541 29.164 29.700 0.009 0.000 0.766 4577 E HN 0.792 nan 8.360 nan 0.000 0.507 4578 K N 0.800 121.201 120.400 0.002 0.000 2.281 4578 K HA -0.080 4.240 4.320 -0.001 0.000 0.203 4578 K C 1.465 178.062 176.600 -0.005 0.000 1.046 4578 K CA 1.465 57.751 56.287 -0.002 0.000 0.938 4578 K CB -0.008 32.495 32.500 0.005 0.000 0.737 4578 K HN 0.164 nan 8.250 nan 0.000 0.458 4579 A N 1.786 124.604 122.820 -0.003 0.000 2.610 4579 A HA 0.137 4.457 4.320 -0.001 0.000 0.291 4579 A C 1.346 178.926 177.584 -0.006 0.000 1.116 4579 A CA -0.563 51.472 52.037 -0.004 0.000 0.963 4579 A CB -0.041 18.960 19.000 0.001 0.000 1.220 4579 A HN 0.413 nan 8.150 nan 0.000 0.530 4580 K N 0.185 120.578 120.400 -0.011 0.000 2.281 4580 K HA -0.197 4.122 4.320 -0.001 0.000 0.203 4580 K C 0.833 177.424 176.600 -0.015 0.000 1.046 4580 K CA 1.905 58.184 56.287 -0.014 0.000 0.938 4580 K CB -0.114 32.371 32.500 -0.026 0.000 0.737 4580 K HN 0.313 nan 8.250 nan 0.000 0.458 4581 E N 1.299 121.489 120.200 -0.016 0.000 2.072 4581 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 4581 E C 1.753 178.349 176.600 -0.008 0.000 0.982 4581 E CA 1.244 57.635 56.400 -0.014 0.000 0.803 4581 E CB 0.050 29.741 29.700 -0.015 0.000 0.755 4581 E HN 0.258 nan 8.360 nan 0.000 0.453 4582 K N 0.330 120.727 120.400 -0.005 0.000 2.057 4582 K HA 0.006 4.326 4.320 -0.001 0.000 0.206 4582 K C 1.971 178.571 176.600 0.001 0.000 1.050 4582 K CA 0.750 57.036 56.287 -0.001 0.000 0.935 4582 K CB -0.305 32.195 32.500 0.001 0.000 0.715 4582 K HN 0.057 nan 8.250 nan 0.000 0.439 4583 L N 0.101 121.324 121.223 0.000 0.000 2.046 4583 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 4583 L C 2.373 179.244 176.870 0.001 0.000 1.077 4583 L CA 1.405 56.246 54.840 0.002 0.000 0.747 4583 L CB -0.603 41.458 42.059 0.003 0.000 0.896 4583 L HN 0.196 nan 8.230 nan 0.000 0.432 4584 A N -0.241 122.578 122.820 -0.002 0.000 1.933 4584 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 4584 A C 2.176 179.759 177.584 -0.001 0.000 1.175 4584 A CA 1.808 53.843 52.037 -0.003 0.000 0.628 4584 A CB -0.427 18.569 19.000 -0.007 0.000 0.814 4584 A HN 0.387 nan 8.150 nan 0.000 0.444 4585 E N 0.199 120.398 120.200 -0.001 0.000 2.051 4585 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 4585 E C 1.755 178.357 176.600 0.003 0.000 0.991 4585 E CA 1.423 57.823 56.400 0.000 0.000 0.799 4585 E CB -0.230 29.470 29.700 -0.000 0.000 0.748 4585 E HN 0.468 nan 8.360 nan 0.000 0.449 4586 I N 0.276 120.848 120.570 0.004 0.000 2.226 4586 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 4586 I C 2.136 178.256 176.117 0.006 0.000 1.100 4586 I CA 0.956 62.260 61.300 0.006 0.000 1.374 4586 I CB -0.799 37.206 38.000 0.008 0.000 1.057 4586 I HN 0.197 nan 8.210 nan 0.000 0.413 4587 I N -0.063 120.509 120.570 0.004 0.000 2.406 4587 I HA -0.149 4.021 4.170 -0.001 0.000 0.249 4587 I C 2.487 178.606 176.117 0.004 0.000 1.122 4587 I CA 0.896 62.199 61.300 0.004 0.000 1.431 4587 I CB -0.405 37.597 38.000 0.004 0.000 1.087 4587 I HN -0.095 nan 8.210 nan 0.000 0.424 4588 V N 0.281 120.197 119.914 0.003 0.000 2.358 4588 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 4588 V C 2.449 178.545 176.094 0.004 0.000 1.047 4588 V CA 1.530 63.832 62.300 0.003 0.000 1.035 4588 V CB -0.581 31.243 31.823 0.002 0.000 0.658 4588 V HN 0.380 nan 8.190 nan 0.000 0.452 4589 E N 0.385 120.587 120.200 0.004 0.000 2.072 4589 E HA -0.132 4.218 4.350 -0.001 0.000 0.191 4589 E C 2.378 178.981 176.600 0.006 0.000 0.985 4589 E CA 1.414 57.817 56.400 0.005 0.000 0.801 4589 E CB -0.458 29.245 29.700 0.006 0.000 0.750 4589 E HN 0.555 nan 8.360 nan 0.000 0.452 4590 A N 1.135 123.959 122.820 0.006 0.000 1.902 4590 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 4590 A C 2.623 180.210 177.584 0.005 0.000 1.181 4590 A CA 1.444 53.484 52.037 0.006 0.000 0.623 4590 A CB -0.687 18.316 19.000 0.005 0.000 0.818 4590 A HN 0.124 nan 8.150 nan 0.000 0.443 4591 V N -0.259 119.658 119.914 0.004 0.000 2.261 4591 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 4591 V C 2.763 178.859 176.094 0.005 0.000 1.047 4591 V CA 2.368 64.671 62.300 0.004 0.000 1.015 4591 V CB -0.832 30.993 31.823 0.004 0.000 0.642 4591 V HN 0.549 nan 8.190 nan 0.000 0.446 4592 S N 0.012 115.715 115.700 0.005 0.000 2.419 4592 S HA -0.126 4.344 4.470 -0.001 0.000 0.233 4592 S C 2.138 176.742 174.600 0.007 0.000 1.016 4592 S CA 1.238 59.441 58.200 0.006 0.000 0.974 4592 S CB -0.394 62.809 63.200 0.006 0.000 0.786 4592 S HN 0.645 nan 8.310 nan 0.000 0.492 4593 A N 1.057 123.882 122.820 0.008 0.000 1.930 4593 A HA -0.020 4.300 4.320 -0.001 0.000 0.217 4593 A C 2.239 179.830 177.584 0.011 0.000 1.175 4593 A CA 1.656 53.699 52.037 0.010 0.000 0.627 4593 A CB -0.538 18.468 19.000 0.009 0.000 0.815 4593 A HN 0.580 nan 8.150 nan 0.000 0.443 4594 V N -3.656 116.263 119.914 0.008 0.000 3.660 4594 V HA 0.135 4.254 4.120 -0.001 0.000 0.276 4594 V C 1.870 177.967 176.094 0.006 0.000 1.317 4594 V CA 0.867 63.172 62.300 0.007 0.000 1.097 4594 V CB -0.302 31.524 31.823 0.004 0.000 0.863 4594 V HN 0.155 nan 8.190 nan 0.000 0.438 4595 V N 1.000 120.918 119.914 0.006 0.000 2.568 4595 V HA -0.184 3.935 4.120 -0.001 0.000 0.253 4595 V C 1.625 177.722 176.094 0.006 0.000 1.072 4595 V CA 2.602 64.906 62.300 0.005 0.000 1.084 4595 V CB -0.596 31.230 31.823 0.005 0.000 0.676 4595 V HN 0.897 nan 8.190 nan 0.000 0.469 4596 D N -1.054 119.351 120.400 0.008 0.000 4.438 4596 D HA -0.222 4.417 4.640 -0.001 0.000 0.158 4596 D C 0.618 176.922 176.300 0.007 0.000 0.686 4596 D CA 1.922 55.927 54.000 0.008 0.000 1.183 4596 D CB -1.234 39.570 40.800 0.005 0.000 0.623 4596 D HN 0.573 nan 8.370 nan 0.000 0.521 4597 D N 1.619 122.021 120.400 0.004 0.000 2.414 4597 D HA 0.216 4.856 4.640 -0.001 0.000 0.251 4597 D C -0.200 176.102 176.300 0.004 0.000 1.252 4597 D CA 0.299 54.301 54.000 0.003 0.000 0.999 4597 D CB 0.407 41.208 40.800 0.002 0.000 1.093 4597 D HN 0.199 nan 8.370 nan 0.000 0.515 4598 E N -0.303 119.899 120.200 0.003 0.000 2.373 4598 E HA 0.549 4.899 4.350 -0.001 0.000 0.233 4598 E C -0.238 176.364 176.600 0.003 0.000 1.035 4598 E CA -0.622 55.780 56.400 0.004 0.000 0.930 4598 E CB 0.627 30.329 29.700 0.004 0.000 1.278 4598 E HN 0.450 nan 8.360 nan 0.000 0.452 4599 G N 1.453 110.255 108.800 0.003 0.000 2.340 4599 G HA2 0.259 4.219 3.960 -0.001 0.000 0.298 4599 G HA3 0.259 4.219 3.960 -0.001 0.000 0.298 4599 G C -1.745 173.157 174.900 0.003 0.000 1.498 4599 G CA -0.735 44.367 45.100 0.003 0.000 0.847 4599 G HN 0.021 nan 8.290 nan 0.000 0.594 4600 K N 0.463 120.865 120.400 0.003 0.000 2.550 4600 K HA 0.541 4.861 4.320 -0.001 0.000 0.252 4600 K C -1.386 175.216 176.600 0.003 0.000 0.943 4600 K CA -0.541 55.747 56.287 0.003 0.000 0.806 4600 K CB 2.262 34.763 32.500 0.002 0.000 1.289 4600 K HN 0.512 nan 8.250 nan 0.000 0.435 4601 V N 3.415 123.331 119.914 0.003 0.000 2.370 4601 V HA 0.205 4.325 4.120 -0.001 0.000 0.279 4601 V C -0.251 175.844 176.094 0.002 0.000 1.029 4601 V CA -0.717 61.584 62.300 0.002 0.000 0.870 4601 V CB 1.319 33.144 31.823 0.003 0.000 0.984 4601 V HN 0.606 nan 8.190 nan 0.000 0.451 4602 D N 4.023 124.423 120.400 0.001 0.000 2.427 4602 D HA 0.198 4.837 4.640 -0.001 0.000 0.226 4602 D C 0.975 177.274 176.300 -0.002 0.000 1.076 4602 D CA -0.386 53.614 54.000 -0.001 0.000 0.849 4602 D CB 1.426 42.225 40.800 -0.002 0.000 1.052 4602 D HN 0.511 nan 8.370 nan 0.000 0.515 4603 K N 2.756 123.155 120.400 -0.002 0.000 2.160 4603 K HA -0.231 4.088 4.320 -0.001 0.000 0.206 4603 K C 0.964 177.561 176.600 -0.006 0.000 1.047 4603 K CA 1.322 57.607 56.287 -0.003 0.000 0.930 4603 K CB 0.160 32.659 32.500 -0.002 0.000 0.720 4603 K HN 0.331 nan 8.250 nan 0.000 0.450 4604 D N 0.192 120.588 120.400 -0.007 0.000 2.309 4604 D HA -0.110 4.529 4.640 -0.001 0.000 0.212 4604 D C 1.390 177.682 176.300 -0.012 0.000 0.968 4604 D CA 0.701 54.695 54.000 -0.010 0.000 0.882 4604 D CB 0.129 40.923 40.800 -0.010 0.000 0.918 4604 D HN 0.263 nan 8.370 nan 0.000 0.503 4605 L N -0.305 120.913 121.223 -0.009 0.000 2.554 4605 L HA 0.172 4.511 4.340 -0.001 0.000 0.226 4605 L C 0.370 177.234 176.870 -0.010 0.000 1.137 4605 L CA 0.180 55.014 54.840 -0.009 0.000 0.863 4605 L CB 0.086 42.143 42.059 -0.004 0.000 0.985 4605 L HN 0.009 nan 8.230 nan 0.000 0.451 4606 I N 0.271 120.835 120.570 -0.010 0.000 2.382 4606 I HA 0.235 4.404 4.170 -0.001 0.000 0.286 4606 I C 0.076 176.184 176.117 -0.015 0.000 1.002 4606 I CA -0.460 60.834 61.300 -0.010 0.000 1.135 4606 I CB 1.678 39.675 38.000 -0.005 0.000 1.288 4606 I HN -0.113 nan 8.210 nan 0.000 0.448 4607 K N 6.626 127.013 120.400 -0.021 0.000 2.172 4607 K HA 0.427 4.747 4.320 -0.001 0.000 0.276 4607 K C -0.704 175.882 176.600 -0.023 0.000 1.013 4607 K CA -0.594 55.676 56.287 -0.028 0.000 0.913 4607 K CB 1.265 33.739 32.500 -0.042 0.000 1.055 4607 K HN 0.452 nan 8.250 nan 0.000 0.461 4608 I N 3.976 124.533 120.570 -0.021 0.000 2.307 4608 I HA 0.174 4.344 4.170 -0.001 0.000 0.287 4608 I C 0.100 176.203 176.117 -0.022 0.000 1.054 4608 I CA -0.583 60.708 61.300 -0.016 0.000 1.218 4608 I CB 0.581 38.575 38.000 -0.010 0.000 1.398 4608 I HN 0.517 nan 8.210 nan 0.000 0.475 4609 E N 7.314 127.500 120.200 -0.025 0.000 2.199 4609 E HA 0.548 4.898 4.350 -0.001 0.000 0.269 4609 E C -0.949 175.640 176.600 -0.019 0.000 0.899 4609 E CA -0.746 55.635 56.400 -0.032 0.000 0.772 4609 E CB 1.406 31.073 29.700 -0.054 0.000 1.155 4609 E HN 0.541 nan 8.360 nan 0.000 0.408 4610 K N 2.911 123.299 120.400 -0.019 0.000 2.471 4610 K HA 0.613 4.933 4.320 -0.001 0.000 0.252 4610 K C -0.929 175.663 176.600 -0.014 0.000 0.938 4610 K CA -1.105 55.176 56.287 -0.011 0.000 0.796 4610 K CB 1.592 34.087 32.500 -0.009 0.000 1.161 4610 K HN 0.097 nan 8.250 nan 0.000 0.425 4611 K N 2.026 122.423 120.400 -0.006 0.000 2.507 4611 K HA 0.218 4.537 4.320 -0.001 0.000 0.251 4611 K C -0.645 175.954 176.600 -0.002 0.000 0.943 4611 K CA -0.582 55.702 56.287 -0.005 0.000 0.794 4611 K CB 2.139 34.644 32.500 0.009 0.000 1.188 4611 K HN 0.993 nan 8.250 nan 0.000 0.428 4612 S N 0.429 116.121 115.700 -0.014 0.000 2.584 4612 S HA 0.674 5.144 4.470 -0.001 0.000 0.270 4612 S C 0.565 175.164 174.600 -0.001 0.000 1.346 4612 S CA 0.327 58.519 58.200 -0.013 0.000 1.018 4612 S CB 0.822 64.005 63.200 -0.029 0.000 0.899 4612 S HN 0.931 nan 8.310 nan 0.000 0.542 4613 G N -0.193 108.608 108.800 0.002 0.000 2.640 4613 G HA2 0.475 4.435 3.960 -0.001 0.000 0.686 4613 G HA3 0.475 4.435 3.960 -0.001 0.000 0.686 4613 G C -0.041 174.865 174.900 0.010 0.000 1.229 4613 G CA -0.124 44.980 45.100 0.007 0.000 0.796 4613 G HN 2.406 nan 8.290 nan 0.000 0.654 4614 A N -0.332 122.493 122.820 0.009 0.000 5.953 4614 A HA 0.387 4.707 4.320 -0.001 0.000 0.267 4614 A C 1.188 178.777 177.584 0.009 0.000 2.116 4614 A CA 1.973 54.016 52.037 0.010 0.000 0.711 4614 A CB -1.624 17.384 19.000 0.012 0.000 1.100 4614 A HN 2.749 nan 8.150 nan 0.000 0.364 4615 S N -2.835 112.871 115.700 0.009 0.000 2.851 4615 S HA 0.691 5.161 4.470 -0.001 0.000 0.317 4615 S C 1.196 175.802 174.600 0.010 0.000 1.144 4615 S CA -0.108 58.097 58.200 0.010 0.000 0.862 4615 S CB 0.629 63.834 63.200 0.008 0.000 1.259 4615 S HN 1.019 nan 8.310 nan 0.000 0.564 4616 I N 2.010 122.586 120.570 0.010 0.000 2.546 4616 I HA -0.033 4.136 4.170 -0.001 0.000 0.255 4616 I C 1.514 177.637 176.117 0.009 0.000 1.163 4616 I CA 1.182 62.488 61.300 0.010 0.000 1.457 4616 I CB -1.347 36.660 38.000 0.011 0.000 1.092 4616 I HN 0.586 nan 8.210 nan 0.000 0.434 4617 D N 1.246 121.651 120.400 0.007 0.000 2.218 4617 D HA -0.172 4.468 4.640 -0.001 0.000 0.204 4617 D C 1.342 177.646 176.300 0.007 0.000 0.976 4617 D CA 1.193 55.196 54.000 0.005 0.000 0.853 4617 D CB -0.115 40.687 40.800 0.004 0.000 0.939 4617 D HN 0.432 nan 8.370 nan 0.000 0.481 4618 D N -0.173 120.232 120.400 0.009 0.000 2.347 4618 D HA -0.035 4.605 4.640 -0.001 0.000 0.215 4618 D C 0.331 176.640 176.300 0.016 0.000 0.976 4618 D CA 0.426 54.433 54.000 0.012 0.000 0.884 4618 D CB -0.015 40.792 40.800 0.012 0.000 0.915 4618 D HN -0.045 nan 8.370 nan 0.000 0.526 4619 T N 1.783 116.346 114.554 0.016 0.000 2.905 4619 T HA 0.063 4.413 4.350 -0.001 0.000 0.299 4619 T C 0.228 174.940 174.700 0.020 0.000 1.024 4619 T CA 0.381 62.492 62.100 0.019 0.000 1.151 4619 T CB 0.225 69.102 68.868 0.014 0.000 0.987 4619 T HN 0.303 nan 8.240 nan 0.000 0.535 4620 E N 2.036 122.252 120.200 0.027 0.000 2.408 4620 E HA 0.596 4.946 4.350 -0.001 0.000 0.275 4620 E C -1.490 175.129 176.600 0.033 0.000 0.935 4620 E CA -1.188 55.229 56.400 0.029 0.000 0.775 4620 E CB 1.303 31.023 29.700 0.034 0.000 1.277 4620 E HN 0.326 nan 8.360 nan 0.000 0.455 4621 L N 2.508 123.748 121.223 0.028 0.000 2.275 4621 L HA 0.484 4.824 4.340 -0.001 0.000 0.288 4621 L C -1.234 175.659 176.870 0.038 0.000 1.046 4621 L CA -0.391 54.466 54.840 0.028 0.000 0.805 4621 L CB 0.883 42.953 42.059 0.018 0.000 1.193 4621 L HN 0.610 nan 8.230 nan 0.000 0.426 4622 I N 5.220 125.819 120.570 0.047 0.000 2.359 4622 I HA 0.257 4.427 4.170 -0.001 0.000 0.284 4622 I C -0.128 176.018 176.117 0.047 0.000 1.018 4622 I CA -0.854 60.486 61.300 0.068 0.000 1.173 4622 I CB 0.994 39.069 38.000 0.124 0.000 1.326 4622 I HN 0.477 nan 8.210 nan 0.000 0.462 4623 K N 5.298 125.722 120.400 0.039 0.000 2.081 4623 K HA 0.441 4.760 4.320 -0.001 0.000 0.230 4623 K C 0.306 176.924 176.600 0.029 0.000 1.199 4623 K CA -0.077 56.225 56.287 0.026 0.000 1.130 4623 K CB -0.032 32.479 32.500 0.018 0.000 1.386 4623 K HN 0.848 nan 8.250 nan 0.000 0.280 4624 G N -1.254 107.562 108.800 0.027 0.000 2.335 4624 G HA2 0.268 4.227 3.960 -0.001 0.000 0.291 4624 G HA3 0.268 4.227 3.960 -0.001 0.000 0.291 4624 G C -1.704 173.194 174.900 -0.003 0.000 1.261 4624 G CA -0.803 44.310 45.100 0.022 0.000 0.871 4624 G HN 0.033 nan 8.290 nan 0.000 0.491 4625 V N 0.714 120.615 119.914 -0.022 0.000 2.409 4625 V HA 0.655 4.775 4.120 -0.001 0.000 0.291 4625 V C -0.719 175.300 176.094 -0.126 0.000 1.020 4625 V CA -0.603 61.651 62.300 -0.077 0.000 0.848 4625 V CB 1.242 33.001 31.823 -0.106 0.000 0.990 4625 V HN 0.818 nan 8.190 nan 0.000 0.430 4626 L N 7.909 129.016 121.223 -0.193 0.000 2.313 4626 L HA 0.852 5.192 4.340 -0.001 0.000 0.283 4626 L C -0.350 176.357 176.870 -0.271 0.000 1.013 4626 L CA -0.150 54.465 54.840 -0.375 0.000 0.816 4626 L CB 1.751 43.489 42.059 -0.535 0.000 1.236 4626 L HN 0.562 nan 8.230 nan 0.000 0.419 4627 V N 1.532 121.296 119.914 -0.250 0.000 2.864 4627 V HA 0.610 4.730 4.120 -0.001 0.000 0.314 4627 V C -0.357 175.663 176.094 -0.123 0.000 1.073 4627 V CA -0.516 61.697 62.300 -0.145 0.000 0.956 4627 V CB 1.857 33.631 31.823 -0.082 0.000 1.023 4627 V HN 0.828 nan 8.190 nan 0.000 0.435 4628 D N 1.057 121.411 120.400 -0.076 0.000 3.085 4628 D HA 0.286 4.926 4.640 -0.001 0.000 0.243 4628 D C -0.152 176.142 176.300 -0.010 0.000 1.232 4628 D CA -0.274 53.697 54.000 -0.048 0.000 0.913 4628 D CB 0.307 41.083 40.800 -0.040 0.000 1.108 4628 D HN 0.528 nan 8.370 nan 0.000 0.468 4629 K N 0.474 120.879 120.400 0.009 0.000 2.340 4629 K HA 0.418 4.737 4.320 -0.001 0.000 0.244 4629 K C 0.160 176.784 176.600 0.041 0.000 0.973 4629 K CA -0.810 55.500 56.287 0.038 0.000 0.828 4629 K CB 2.272 34.824 32.500 0.087 0.000 1.226 4629 K HN 0.265 nan 8.250 nan 0.000 0.437 4630 E N 0.550 120.767 120.200 0.029 0.000 2.334 4630 E HA 0.489 4.839 4.350 -0.001 0.000 0.256 4630 E C -0.657 175.943 176.600 0.000 0.000 0.958 4630 E CA -1.152 55.261 56.400 0.023 0.000 0.821 4630 E CB 0.899 30.609 29.700 0.017 0.000 1.269 4630 E HN 0.091 nan 8.360 nan 0.000 0.413 4631 R N 1.202 121.699 120.500 -0.006 0.000 2.242 4631 R HA 0.083 4.423 4.340 -0.001 0.000 0.334 4631 R C 0.854 177.135 176.300 -0.032 0.000 1.071 4631 R CA -0.153 55.929 56.100 -0.030 0.000 0.922 4631 R CB 0.876 31.163 30.300 -0.022 0.000 1.023 4631 R HN 0.581 nan 8.270 nan 0.000 0.458 4632 V N 1.977 121.862 119.914 -0.048 0.000 2.546 4632 V HA -0.177 3.943 4.120 -0.001 0.000 0.254 4632 V C 0.737 176.801 176.094 -0.050 0.000 1.076 4632 V CA 2.010 64.281 62.300 -0.050 0.000 1.087 4632 V CB 0.032 31.816 31.823 -0.065 0.000 0.674 4632 V HN 0.714 nan 8.190 nan 0.000 0.470 4633 S N -2.207 113.467 115.700 -0.044 0.000 2.536 4633 S HA 0.671 5.141 4.470 -0.001 0.000 0.287 4633 S C 0.749 175.342 174.600 -0.012 0.000 1.101 4633 S CA -0.183 57.997 58.200 -0.032 0.000 0.950 4633 S CB 1.840 65.017 63.200 -0.038 0.000 1.056 4633 S HN 0.516 nan 8.310 nan 0.000 0.481 4634 A N 2.989 125.808 122.820 -0.002 0.000 2.125 4634 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 4634 A C 1.868 179.459 177.584 0.011 0.000 1.156 4634 A CA 1.625 53.666 52.037 0.006 0.000 0.671 4634 A CB -0.586 18.420 19.000 0.009 0.000 0.794 4634 A HN 0.894 nan 8.150 nan 0.000 0.459 4635 Q N -1.088 118.723 119.800 0.018 0.000 2.389 4635 Q HA 0.118 4.458 4.340 -0.001 0.000 0.204 4635 Q C 0.488 176.499 176.000 0.018 0.000 0.944 4635 Q CA 0.046 55.865 55.803 0.026 0.000 0.908 4635 Q CB -0.062 28.706 28.738 0.050 0.000 1.002 4635 Q HN 0.684 nan 8.270 nan 0.000 0.493 4636 M N 1.901 121.506 119.600 0.007 0.000 2.255 4636 M HA 0.275 4.755 4.480 -0.001 0.000 0.336 4636 M C -2.080 174.219 176.300 -0.002 0.000 1.135 4636 M CA -2.022 53.277 55.300 -0.001 0.000 1.145 4636 M CB 0.685 33.274 32.600 -0.017 0.000 1.473 4636 M HN -0.083 nan 8.290 nan 0.000 0.462 4637 P HA 0.014 nan 4.420 nan 0.000 0.266 4637 P C -0.471 176.828 177.300 -0.003 0.000 1.193 4637 P CA 0.282 63.381 63.100 -0.001 0.000 0.770 4637 P CB 0.454 32.153 31.700 -0.002 0.000 0.836 4638 K N 1.447 121.849 120.400 0.003 0.000 2.393 4638 K HA 0.045 4.365 4.320 -0.001 0.000 0.193 4638 K C 0.591 177.201 176.600 0.016 0.000 1.026 4638 K CA 0.543 56.835 56.287 0.009 0.000 1.064 4638 K CB 0.093 32.599 32.500 0.010 0.000 0.833 4638 K HN 0.507 nan 8.250 nan 0.000 0.521 4639 K N -0.873 119.534 120.400 0.012 0.000 2.568 4639 K HA 0.395 4.715 4.320 -0.001 0.000 0.273 4639 K C -1.329 175.280 176.600 0.014 0.000 0.951 4639 K CA -0.920 55.378 56.287 0.019 0.000 0.854 4639 K CB 2.126 34.636 32.500 0.017 0.000 1.424 4639 K HN -0.279 nan 8.250 nan 0.000 0.427 4640 V N 1.446 121.373 119.914 0.021 0.000 2.577 4640 V HA 0.401 4.520 4.120 -0.001 0.000 0.303 4640 V C -0.405 175.704 176.094 0.025 0.000 1.042 4640 V CA -0.598 61.712 62.300 0.018 0.000 0.872 4640 V CB 1.810 33.641 31.823 0.013 0.000 0.998 4640 V HN 1.005 nan 8.190 nan 0.000 0.423 4641 T N -0.054 114.511 114.554 0.018 0.000 2.902 4641 T HA 0.539 4.889 4.350 -0.001 0.000 0.283 4641 T C 0.166 174.877 174.700 0.018 0.000 1.009 4641 T CA -0.221 61.890 62.100 0.018 0.000 1.051 4641 T CB 1.276 70.150 68.868 0.011 0.000 0.999 4641 T HN 0.799 nan 8.240 nan 0.000 0.474 4642 D N 0.398 120.809 120.400 0.019 0.000 2.689 4642 D HA -0.160 4.479 4.640 -0.001 0.000 0.237 4642 D C 0.323 176.638 176.300 0.025 0.000 1.148 4642 D CA 0.836 54.848 54.000 0.019 0.000 0.656 4642 D CB -1.257 39.551 40.800 0.014 0.000 1.050 4642 D HN 1.107 nan 8.370 nan 0.000 0.426 4643 A N 1.394 124.235 122.820 0.034 0.000 2.477 4643 A HA 0.353 4.673 4.320 -0.001 0.000 0.246 4643 A C 0.505 178.117 177.584 0.047 0.000 1.078 4643 A CA 0.189 52.251 52.037 0.043 0.000 0.770 4643 A CB 0.547 19.584 19.000 0.062 0.000 1.011 4643 A HN 0.156 nan 8.150 nan 0.000 0.494 4644 K N 3.017 123.444 120.400 0.044 0.000 2.347 4644 K HA 0.386 4.706 4.320 -0.001 0.000 0.262 4644 K C -1.196 175.441 176.600 0.061 0.000 1.052 4644 K CA -0.244 56.070 56.287 0.046 0.000 0.946 4644 K CB 0.934 33.454 32.500 0.032 0.000 1.220 4644 K HN 0.525 nan 8.250 nan 0.000 0.450 4645 I N 2.144 122.767 120.570 0.088 0.000 2.342 4645 I HA 0.202 4.371 4.170 -0.001 0.000 0.291 4645 I C 0.372 176.561 176.117 0.120 0.000 1.010 4645 I CA -0.171 61.215 61.300 0.142 0.000 1.308 4645 I CB 1.361 39.480 38.000 0.199 0.000 1.400 4645 I HN 0.508 nan 8.210 nan 0.000 0.488 4646 A N 7.592 130.487 122.820 0.125 0.000 2.330 4646 A HA 0.846 5.166 4.320 -0.001 0.000 0.327 4646 A C -0.766 176.906 177.584 0.145 0.000 1.155 4646 A CA -0.562 51.535 52.037 0.099 0.000 0.803 4646 A CB 0.639 19.674 19.000 0.058 0.000 1.208 4646 A HN 0.658 nan 8.150 nan 0.000 0.477 4647 L N 3.455 124.743 121.223 0.108 0.000 2.318 4647 L HA 0.463 4.802 4.340 -0.001 0.000 0.277 4647 L C -1.045 175.866 176.870 0.069 0.000 1.008 4647 L CA -0.101 54.803 54.840 0.105 0.000 0.846 4647 L CB 1.035 43.135 42.059 0.067 0.000 1.220 4647 L HN 0.571 nan 8.230 nan 0.000 0.423 4648 L N 3.118 124.384 121.223 0.071 0.000 2.341 4648 L HA 0.370 4.710 4.340 -0.001 0.000 0.278 4648 L C 0.532 177.429 176.870 0.044 0.000 1.005 4648 L CA -0.567 54.301 54.840 0.047 0.000 0.818 4648 L CB 1.961 44.044 42.059 0.039 0.000 1.259 4648 L HN 0.584 nan 8.230 nan 0.000 0.418 4649 N N 0.192 118.911 118.700 0.031 0.000 2.353 4649 N HA -0.019 4.720 4.740 -0.001 0.000 0.185 4649 N C 0.238 175.760 175.510 0.020 0.000 1.098 4649 N CA -0.209 52.856 53.050 0.025 0.000 0.872 4649 N CB 0.173 38.670 38.487 0.018 0.000 0.970 4649 N HN 0.412 nan 8.380 nan 0.000 0.467 4650 C N 1.505 120.817 119.300 0.019 0.000 2.435 4650 C HA 0.767 5.227 4.460 -0.001 0.000 0.375 4650 C C 0.948 175.947 174.990 0.015 0.000 1.281 4650 C CA -0.986 58.041 59.018 0.015 0.000 1.963 4650 C CB -1.246 26.503 27.740 0.015 0.000 2.490 4650 C HN 0.577 nan 8.230 nan 0.000 0.557 4651 A N 6.573 129.399 122.820 0.010 0.000 2.520 4651 A HA 0.362 4.682 4.320 -0.001 0.000 0.235 4651 A C 0.420 178.008 177.584 0.005 0.000 1.065 4651 A CA 0.004 52.045 52.037 0.006 0.000 0.764 4651 A CB 0.072 19.074 19.000 0.003 0.000 1.002 4651 A HN 0.815 nan 8.150 nan 0.000 0.502 4652 I N 2.439 123.010 120.570 0.001 0.000 2.191 4652 I HA 0.186 4.356 4.170 -0.001 0.000 0.289 4652 I C 0.115 176.229 176.117 -0.005 0.000 1.141 4652 I CA 0.727 62.027 61.300 0.001 0.000 1.430 4652 I CB -1.539 36.459 38.000 -0.004 0.000 1.497 4652 I HN 0.609 nan 8.210 nan 0.000 0.636 4653 E N 2.940 123.140 120.200 -0.000 0.000 2.283 4653 E HA 0.452 4.802 4.350 -0.001 0.000 0.258 4653 E C -0.794 175.809 176.600 0.006 0.000 0.893 4653 E CA -0.488 55.910 56.400 -0.003 0.000 0.798 4653 E CB 2.334 32.031 29.700 -0.006 0.000 1.242 4653 E HN 0.198 nan 8.360 nan 0.000 0.414 4654 E N 1.892 122.098 120.200 0.009 0.000 2.278 4654 E HA 0.181 4.530 4.350 -0.001 0.000 0.272 4654 E C -1.154 175.457 176.600 0.018 0.000 0.890 4654 E CA -0.554 55.857 56.400 0.017 0.000 0.770 4654 E CB 1.895 31.612 29.700 0.028 0.000 1.212 4654 E HN 0.276 nan 8.360 nan 0.000 0.415 4655 T N 2.890 117.454 114.554 0.016 0.000 2.940 4655 T HA 0.483 4.833 4.350 -0.001 0.000 0.309 4655 T C -0.242 174.473 174.700 0.026 0.000 1.056 4655 T CA 0.893 63.002 62.100 0.017 0.000 1.137 4655 T CB -0.253 68.623 68.868 0.013 0.000 0.976 4655 T HN 1.323 nan 8.240 nan 0.000 0.547 4656 A N 3.178 126.015 122.820 0.029 0.000 2.435 4656 A HA -0.046 4.274 4.320 -0.001 0.000 0.686 4656 A C 1.256 178.881 177.584 0.069 0.000 0.138 4656 A CA 0.499 52.562 52.037 0.042 0.000 0.024 4656 A CB -1.853 17.168 19.000 0.036 0.000 3.974 4656 A HN 1.873 nan 8.150 nan 0.000 0.548 4657 S N 0.625 116.383 115.700 0.096 0.000 2.489 4657 S HA -0.013 4.457 4.470 -0.001 0.000 0.228 4657 S C 1.367 176.087 174.600 0.199 0.000 0.995 4657 S CA 1.428 59.744 58.200 0.192 0.000 0.934 4657 S CB 0.076 63.413 63.200 0.229 0.000 0.771 4657 S HN 1.162 nan 8.310 nan 0.000 0.522 4658 E N 1.884 122.145 120.200 0.102 0.000 2.046 4658 E HA 0.045 4.395 4.350 -0.001 0.000 0.190 4658 E C 1.994 178.622 176.600 0.046 0.000 0.982 4658 E CA 1.407 57.839 56.400 0.053 0.000 0.800 4658 E CB -0.418 29.301 29.700 0.032 0.000 0.756 4658 E HN 0.594 nan 8.360 nan 0.000 0.449 4659 M N -0.522 119.109 119.600 0.053 0.000 2.200 4659 M HA -0.041 4.438 4.480 -0.001 0.000 0.265 4659 M C 2.038 178.374 176.300 0.060 0.000 1.066 4659 M CA 0.649 55.975 55.300 0.043 0.000 1.127 4659 M CB -0.110 32.511 32.600 0.035 0.000 1.379 4659 M HN 0.194 nan 8.290 nan 0.000 0.420 4660 L N 0.958 122.237 121.223 0.093 0.000 2.093 4660 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 4660 L C 2.410 179.391 176.870 0.186 0.000 1.085 4660 L CA 1.825 56.739 54.840 0.123 0.000 0.755 4660 L CB -0.697 41.437 42.059 0.125 0.000 0.904 4660 L HN 0.147 nan 8.230 nan 0.000 0.435 4661 K N -0.372 120.152 120.400 0.207 0.000 2.057 4661 K HA -0.198 4.122 4.320 -0.001 0.000 0.207 4661 K C 1.567 178.165 176.600 -0.004 0.000 1.049 4661 K CA 1.823 58.139 56.287 0.048 0.000 0.931 4661 K CB -0.298 32.078 32.500 -0.207 0.000 0.714 4661 K HN 0.374 nan 8.250 nan 0.000 0.440 4662 D N 0.616 121.022 120.400 0.009 0.000 2.178 4662 D HA -0.111 4.529 4.640 -0.001 0.000 0.202 4662 D C 2.013 178.322 176.300 0.015 0.000 0.974 4662 D CA 1.025 55.025 54.000 0.001 0.000 0.841 4662 D CB -0.083 40.720 40.800 0.005 0.000 0.953 4662 D HN 0.290 nan 8.370 nan 0.000 0.478 4663 M N -0.132 119.488 119.600 0.034 0.000 2.117 4663 M HA -0.127 4.353 4.480 -0.001 0.000 0.262 4663 M C 2.251 178.574 176.300 0.037 0.000 1.065 4663 M CA 0.865 56.187 55.300 0.036 0.000 1.114 4663 M CB -0.043 32.584 32.600 0.044 0.000 1.361 4663 M HN -0.115 nan 8.290 nan 0.000 0.408 4664 V N 0.203 120.151 119.914 0.056 0.000 2.358 4664 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 4664 V C 2.579 178.689 176.094 0.026 0.000 1.047 4664 V CA 1.905 64.240 62.300 0.058 0.000 1.035 4664 V CB -1.128 30.766 31.823 0.117 0.000 0.658 4664 V HN 0.511 nan 8.190 nan 0.000 0.452 4665 A N -0.084 122.739 122.820 0.006 0.000 1.969 4665 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 4665 A C 2.175 179.759 177.584 -0.001 0.000 1.169 4665 A CA 1.924 53.956 52.037 -0.010 0.000 0.635 4665 A CB -0.409 18.574 19.000 -0.027 0.000 0.810 4665 A HN 0.551 nan 8.150 nan 0.000 0.445 4666 E N 0.284 120.488 120.200 0.006 0.000 2.107 4666 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 4666 E C 1.653 178.260 176.600 0.011 0.000 0.982 4666 E CA 1.151 57.556 56.400 0.008 0.000 0.809 4666 E CB -0.358 29.349 29.700 0.011 0.000 0.756 4666 E HN 0.644 nan 8.360 nan 0.000 0.459 4667 I N 0.247 120.825 120.570 0.014 0.000 2.252 4667 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 4667 I C 2.271 178.394 176.117 0.011 0.000 1.102 4667 I CA 1.139 62.447 61.300 0.014 0.000 1.385 4667 I CB -0.239 37.770 38.000 0.016 0.000 1.064 4667 I HN 0.061 nan 8.210 nan 0.000 0.414 4668 K N 1.794 122.200 120.400 0.009 0.000 2.097 4668 K HA -0.134 4.185 4.320 -0.001 0.000 0.206 4668 K C 2.035 178.638 176.600 0.005 0.000 1.049 4668 K CA 1.729 58.020 56.287 0.006 0.000 0.933 4668 K CB -0.391 32.110 32.500 0.002 0.000 0.717 4668 K HN 0.270 nan 8.250 nan 0.000 0.442 4669 A N 0.280 123.102 122.820 0.004 0.000 1.972 4669 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 4669 A C 2.140 179.728 177.584 0.007 0.000 1.169 4669 A CA 2.140 54.179 52.037 0.004 0.000 0.635 4669 A CB -1.016 17.985 19.000 0.003 0.000 0.810 4669 A HN 0.568 nan 8.150 nan 0.000 0.446 4670 S N -1.666 114.039 115.700 0.009 0.000 2.442 4670 S HA 0.238 4.708 4.470 -0.001 0.000 0.236 4670 S C 1.647 176.255 174.600 0.013 0.000 1.007 4670 S CA 1.455 59.663 58.200 0.012 0.000 0.965 4670 S CB -0.561 62.648 63.200 0.016 0.000 0.773 4670 S HN 1.989 nan 8.310 nan 0.000 0.504 4671 G N 0.654 109.461 108.800 0.011 0.000 2.175 4671 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.244 4671 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.244 4671 G C 0.253 175.162 174.900 0.014 0.000 0.982 4671 G CA 0.028 45.135 45.100 0.012 0.000 0.641 4671 G HN 1.368 nan 8.290 nan 0.000 0.527 4672 A N -0.001 122.828 122.820 0.015 0.000 2.498 4672 A HA 0.595 4.915 4.320 -0.001 0.000 0.239 4672 A C 1.171 178.760 177.584 0.008 0.000 1.068 4672 A CA 0.959 53.006 52.037 0.017 0.000 0.766 4672 A CB 0.196 19.208 19.000 0.020 0.000 1.003 4672 A HN 0.363 nan 8.150 nan 0.000 0.497 4673 N N 0.333 119.037 118.700 0.007 0.000 2.382 4673 N HA 0.114 4.853 4.740 -0.001 0.000 0.200 4673 N C -0.644 174.850 175.510 -0.027 0.000 1.122 4673 N CA 0.491 53.539 53.050 -0.004 0.000 0.870 4673 N CB 0.884 39.373 38.487 0.004 0.000 1.176 4673 N HN 0.381 nan 8.380 nan 0.000 0.474 4674 V N 2.357 122.253 119.914 -0.030 0.000 2.495 4674 V HA 0.441 4.561 4.120 -0.001 0.000 0.298 4674 V C -0.875 175.147 176.094 -0.119 0.000 1.031 4674 V CA -0.825 61.414 62.300 -0.103 0.000 0.871 4674 V CB 2.366 34.162 31.823 -0.045 0.000 0.988 4674 V HN 0.002 nan 8.190 nan 0.000 0.432 4675 L N 5.627 126.703 121.223 -0.245 0.000 2.372 4675 L HA 0.670 5.010 4.340 -0.001 0.000 0.274 4675 L C -1.325 175.347 176.870 -0.329 0.000 0.988 4675 L CA 0.014 54.752 54.840 -0.170 0.000 0.833 4675 L CB 1.285 43.291 42.059 -0.089 0.000 1.236 4675 L HN 0.472 nan 8.230 nan 0.000 0.410 4676 F N 4.946 124.897 119.950 0.002 0.000 2.361 4676 F HA 0.419 4.945 4.527 -0.001 0.000 0.364 4676 F C 0.256 176.054 175.800 -0.003 0.000 1.117 4676 F CA -0.314 57.684 58.000 -0.003 0.000 1.071 4676 F CB 1.240 40.238 39.000 -0.004 0.000 1.188 4676 F HN 0.489 nan 8.300 nan 0.000 0.464 4677 C N 5.167 124.542 119.300 0.125 0.000 2.295 4677 C HA 0.220 4.679 4.460 -0.001 0.000 0.331 4677 C C 1.680 176.716 174.990 0.077 0.000 1.280 4677 C CA -0.463 58.601 59.018 0.076 0.000 1.746 4677 C CB 0.638 28.395 27.740 0.029 0.000 2.328 4677 C HN 0.937 nan 8.230 nan 0.000 0.521 4678 Q N 3.338 123.175 119.800 0.061 0.000 2.084 4678 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 4678 Q C 0.853 176.870 176.000 0.029 0.000 0.978 4678 Q CA 1.630 57.459 55.803 0.043 0.000 0.844 4678 Q CB 0.172 28.927 28.738 0.029 0.000 0.898 4678 Q HN 0.760 nan 8.270 nan 0.000 0.426 4679 K N -1.146 119.268 120.400 0.023 0.000 2.646 4679 K HA 0.421 4.741 4.320 -0.001 0.000 0.270 4679 K C 0.393 176.999 176.600 0.009 0.000 1.026 4679 K CA -0.191 56.104 56.287 0.013 0.000 1.043 4679 K CB 0.061 32.567 32.500 0.009 0.000 1.383 4679 K HN 0.105 nan 8.250 nan 0.000 0.513 4680 G N 0.278 109.078 108.800 0.000 0.000 2.634 4680 G HA2 0.398 4.358 3.960 -0.001 0.000 0.255 4680 G HA3 0.398 4.358 3.960 -0.001 0.000 0.255 4680 G C -0.500 174.392 174.900 -0.015 0.000 1.205 4680 G CA -0.524 44.571 45.100 -0.009 0.000 0.884 4680 G HN 0.371 nan 8.290 nan 0.000 0.549 4681 I N 0.450 121.003 120.570 -0.028 0.000 2.447 4681 I HA 0.161 4.331 4.170 -0.001 0.000 0.287 4681 I C -0.519 175.563 176.117 -0.059 0.000 1.023 4681 I CA -0.748 60.528 61.300 -0.041 0.000 1.083 4681 I CB 2.041 40.011 38.000 -0.049 0.000 1.245 4681 I HN 0.414 nan 8.210 nan 0.000 0.434 4682 D N 5.365 125.730 120.400 -0.059 0.000 2.414 4682 D HA -0.042 4.598 4.640 -0.001 0.000 0.242 4682 D C 0.668 176.891 176.300 -0.127 0.000 1.129 4682 D CA 0.162 54.117 54.000 -0.074 0.000 0.885 4682 D CB 1.315 42.080 40.800 -0.058 0.000 1.198 4682 D HN 0.500 nan 8.370 nan 0.000 0.437 4683 D N 3.189 123.502 120.400 -0.144 0.000 2.190 4683 D HA -0.182 4.457 4.640 -0.001 0.000 0.200 4683 D C 1.844 177.927 176.300 -0.362 0.000 0.992 4683 D CA 0.554 54.403 54.000 -0.251 0.000 0.854 4683 D CB 0.155 40.849 40.800 -0.177 0.000 0.936 4683 D HN 0.475 nan 8.370 nan 0.000 0.462 4684 L N 0.528 121.631 121.223 -0.201 0.000 2.056 4684 L HA -0.157 4.183 4.340 -0.001 0.000 0.207 4684 L C 2.327 178.980 176.870 -0.362 0.000 1.078 4684 L CA 1.245 55.956 54.840 -0.215 0.000 0.749 4684 L CB -0.144 41.818 42.059 -0.162 0.000 0.901 4684 L HN -0.046 nan 8.230 nan 0.000 0.433 4685 A N -0.848 121.839 122.820 -0.221 0.000 1.969 4685 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 4685 A C 2.063 179.579 177.584 -0.114 0.000 1.169 4685 A CA 1.445 53.407 52.037 -0.125 0.000 0.635 4685 A CB -0.407 18.563 19.000 -0.050 0.000 0.810 4685 A HN 0.595 nan 8.150 nan 0.000 0.445 4686 Q N -1.115 118.565 119.800 -0.199 0.000 2.170 4686 Q HA -0.170 4.170 4.340 -0.001 0.000 0.203 4686 Q C 1.933 177.840 176.000 -0.154 0.000 0.976 4686 Q CA 1.358 57.046 55.803 -0.192 0.000 0.858 4686 Q CB -0.253 28.317 28.738 -0.280 0.000 0.907 4686 Q HN 0.748 nan 8.270 nan 0.000 0.433 4687 H N -0.793 118.211 119.070 -0.110 0.000 2.321 4687 H HA -0.123 4.432 4.556 -0.001 0.000 0.300 4687 H C 1.746 177.114 175.328 0.067 0.000 1.087 4687 H CA 1.263 57.264 56.048 -0.077 0.000 1.319 4687 H CB -0.220 29.428 29.762 -0.189 0.000 1.379 4687 H HN 0.305 nan 8.280 nan 0.000 0.501 4688 Y N 0.658 121.025 120.300 0.113 0.000 2.314 4688 Y HA -0.057 4.492 4.550 -0.001 0.000 0.293 4688 Y C 2.811 178.727 175.900 0.028 0.000 1.129 4688 Y CA 0.111 58.245 58.100 0.057 0.000 1.201 4688 Y CB -0.903 37.582 38.460 0.041 0.000 0.999 4688 Y HN 0.056 nan 8.280 nan 0.000 0.541 4689 L N -0.763 120.560 121.223 0.167 0.000 2.046 4689 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 4689 L C 2.631 179.535 176.870 0.056 0.000 1.077 4689 L CA 1.253 56.139 54.840 0.076 0.000 0.747 4689 L CB -0.778 41.294 42.059 0.021 0.000 0.896 4689 L HN 0.157 nan 8.230 nan 0.000 0.432 4690 A N -0.050 122.809 122.820 0.065 0.000 1.930 4690 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 4690 A C 2.299 179.923 177.584 0.066 0.000 1.175 4690 A CA 1.506 53.577 52.037 0.056 0.000 0.627 4690 A CB -0.308 18.732 19.000 0.067 0.000 0.815 4690 A HN 0.312 nan 8.150 nan 0.000 0.443 4691 K N -0.381 120.079 120.400 0.100 0.000 2.211 4691 K HA -0.085 4.235 4.320 -0.001 0.000 0.203 4691 K C 1.191 177.817 176.600 0.044 0.000 1.050 4691 K CA 1.164 57.498 56.287 0.079 0.000 0.945 4691 K CB 0.006 32.572 32.500 0.110 0.000 0.732 4691 K HN 0.359 nan 8.250 nan 0.000 0.451 4692 E N -0.470 119.757 120.200 0.045 0.000 2.489 4692 E HA 0.024 4.373 4.350 -0.001 0.000 0.193 4692 E C 0.877 177.486 176.600 0.016 0.000 1.057 4692 E CA 0.421 56.835 56.400 0.022 0.000 0.866 4692 E CB 0.640 30.353 29.700 0.022 0.000 0.916 4692 E HN 0.451 nan 8.360 nan 0.000 0.500 4693 G N 1.921 110.733 108.800 0.019 0.000 2.160 4693 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.251 4693 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.251 4693 G C 0.235 175.135 174.900 0.000 0.000 1.008 4693 G CA 0.175 45.281 45.100 0.010 0.000 0.724 4693 G HN 0.269 nan 8.290 nan 0.000 0.514 4694 I N 1.042 121.612 120.570 -0.000 0.000 2.342 4694 I HA 0.422 4.592 4.170 -0.001 0.000 0.291 4694 I C 1.019 177.114 176.117 -0.036 0.000 1.010 4694 I CA -1.087 60.203 61.300 -0.017 0.000 1.308 4694 I CB 1.550 39.543 38.000 -0.012 0.000 1.400 4694 I HN 0.148 nan 8.210 nan 0.000 0.488 4695 V N 3.808 123.686 119.914 -0.061 0.000 2.509 4695 V HA 0.911 5.031 4.120 -0.001 0.000 0.284 4695 V C 0.063 176.062 176.094 -0.158 0.000 1.047 4695 V CA -0.282 61.963 62.300 -0.091 0.000 0.952 4695 V CB 1.172 32.942 31.823 -0.089 0.000 0.988 4695 V HN 0.820 nan 8.190 nan 0.000 0.469 4696 A N 3.621 126.344 122.820 -0.162 0.000 2.515 4696 A HA 0.999 5.318 4.320 -0.001 0.000 0.298 4696 A C -0.329 177.137 177.584 -0.197 0.000 1.059 4696 A CA -0.315 51.600 52.037 -0.202 0.000 0.698 4696 A CB 1.878 20.805 19.000 -0.121 0.000 1.289 4696 A HN 2.330 nan 8.150 nan 0.000 0.404 4697 A N 1.908 124.586 122.820 -0.237 0.000 2.359 4697 A HA 0.739 5.058 4.320 -0.001 0.000 0.303 4697 A C -0.008 177.562 177.584 -0.023 0.000 1.066 4697 A CA -0.649 51.323 52.037 -0.109 0.000 0.730 4697 A CB 0.779 19.733 19.000 -0.076 0.000 1.211 4697 A HN 1.205 nan 8.150 nan 0.000 0.439 4698 R N 1.840 122.336 120.500 -0.007 0.000 2.700 4698 R HA 0.717 5.057 4.340 -0.001 0.000 0.253 4698 R C -0.362 175.954 176.300 0.027 0.000 1.091 4698 R CA -0.781 55.324 56.100 0.009 0.000 1.104 4698 R CB 0.405 30.698 30.300 -0.012 0.000 1.202 4698 R HN 0.493 nan 8.270 nan 0.000 0.532 4699 R N -0.927 119.587 120.500 0.023 0.000 3.516 4699 R HA -0.111 4.229 4.340 -0.001 0.000 0.271 4699 R C -0.682 175.637 176.300 0.032 0.000 1.098 4699 R CA 0.569 56.681 56.100 0.021 0.000 0.732 4699 R CB -2.619 27.687 30.300 0.010 0.000 1.152 4699 R HN 0.528 nan 8.270 nan 0.000 0.455 4700 V N 1.410 121.356 119.914 0.053 0.000 2.572 4700 V HA 0.036 4.156 4.120 -0.001 0.000 0.291 4700 V C 1.467 177.576 176.094 0.024 0.000 1.039 4700 V CA -0.023 62.313 62.300 0.061 0.000 1.055 4700 V CB 1.184 33.075 31.823 0.114 0.000 0.969 4700 V HN 0.153 nan 8.190 nan 0.000 0.482 4701 K N 3.309 123.712 120.400 0.005 0.000 2.382 4701 K HA 0.030 4.350 4.320 -0.001 0.000 0.275 4701 K C 1.209 177.800 176.600 -0.015 0.000 1.009 4701 K CA -0.318 55.964 56.287 -0.008 0.000 0.970 4701 K CB 0.548 33.038 32.500 -0.017 0.000 0.934 4701 K HN 0.608 nan 8.250 nan 0.000 0.479 4702 K N 1.977 122.370 120.400 -0.012 0.000 2.074 4702 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 4702 K C 1.914 178.499 176.600 -0.026 0.000 1.048 4702 K CA 2.230 58.509 56.287 -0.014 0.000 0.926 4702 K CB -0.554 31.940 32.500 -0.010 0.000 0.713 4702 K HN 0.583 nan 8.250 nan 0.000 0.444 4703 S N 0.181 115.863 115.700 -0.029 0.000 2.359 4703 S HA -0.171 4.299 4.470 -0.001 0.000 0.224 4703 S C 1.401 175.967 174.600 -0.058 0.000 1.035 4703 S CA 1.785 59.963 58.200 -0.038 0.000 1.018 4703 S CB -0.555 62.624 63.200 -0.034 0.000 0.876 4703 S HN 0.424 nan 8.310 nan 0.000 0.448 4704 D N 0.913 121.272 120.400 -0.067 0.000 2.144 4704 D HA -0.060 4.580 4.640 -0.001 0.000 0.199 4704 D C 2.000 178.213 176.300 -0.145 0.000 0.984 4704 D CA 0.978 54.912 54.000 -0.111 0.000 0.834 4704 D CB -0.273 40.466 40.800 -0.101 0.000 0.955 4704 D HN 0.382 nan 8.370 nan 0.000 0.465 4705 M N 0.478 120.021 119.600 -0.096 0.000 2.159 4705 M HA -0.086 4.393 4.480 -0.001 0.000 0.263 4705 M C 1.888 178.140 176.300 -0.080 0.000 1.063 4705 M CA 1.199 56.449 55.300 -0.085 0.000 1.110 4705 M CB -0.751 31.830 32.600 -0.031 0.000 1.374 4705 M HN 0.118 nan 8.290 nan 0.000 0.411 4706 E N 0.016 120.177 120.200 -0.065 0.000 2.076 4706 E HA -0.121 4.228 4.350 -0.001 0.000 0.190 4706 E C 2.063 178.625 176.600 -0.064 0.000 0.979 4706 E CA 0.793 57.162 56.400 -0.052 0.000 0.807 4706 E CB 0.015 29.692 29.700 -0.038 0.000 0.761 4706 E HN 0.494 nan 8.360 nan 0.000 0.454 4707 K N 0.680 121.030 120.400 -0.082 0.000 2.097 4707 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 4707 K C 2.196 178.732 176.600 -0.107 0.000 1.049 4707 K CA 0.832 57.068 56.287 -0.086 0.000 0.933 4707 K CB -0.083 32.360 32.500 -0.095 0.000 0.717 4707 K HN 0.106 nan 8.250 nan 0.000 0.442 4708 L N 0.475 121.600 121.223 -0.162 0.000 2.093 4708 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 4708 L C 2.580 179.385 176.870 -0.108 0.000 1.085 4708 L CA 1.029 55.749 54.840 -0.200 0.000 0.755 4708 L CB -0.537 41.296 42.059 -0.377 0.000 0.904 4708 L HN 0.193 nan 8.230 nan 0.000 0.435 4709 A N 0.089 122.862 122.820 -0.078 0.000 1.930 4709 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 4709 A C 2.321 179.890 177.584 -0.025 0.000 1.175 4709 A CA 1.526 53.541 52.037 -0.037 0.000 0.627 4709 A CB -0.280 18.703 19.000 -0.028 0.000 0.815 4709 A HN 0.306 nan 8.150 nan 0.000 0.443 4710 K N -0.314 120.067 120.400 -0.032 0.000 2.026 4710 K HA -0.040 4.279 4.320 -0.001 0.000 0.208 4710 K C 2.333 178.928 176.600 -0.008 0.000 1.048 4710 K CA 1.197 57.473 56.287 -0.019 0.000 0.929 4710 K CB -0.283 32.202 32.500 -0.024 0.000 0.713 4710 K HN 0.437 nan 8.250 nan 0.000 0.439 4711 A N 1.023 123.831 122.820 -0.020 0.000 1.855 4711 A HA -0.124 4.195 4.320 -0.001 0.000 0.213 4711 A C 2.287 179.877 177.584 0.010 0.000 1.195 4711 A CA 2.035 54.067 52.037 -0.007 0.000 0.610 4711 A CB -0.942 18.042 19.000 -0.027 0.000 0.837 4711 A HN 0.452 nan 8.150 nan 0.000 0.444 4712 T N -4.300 110.255 114.554 0.001 0.000 3.043 4712 T HA 0.357 4.707 4.350 -0.001 0.000 0.263 4712 T C 1.485 176.203 174.700 0.030 0.000 1.094 4712 T CA 1.235 63.347 62.100 0.020 0.000 1.127 4712 T CB -0.135 68.746 68.868 0.021 0.000 0.905 4712 T HN 1.772 nan 8.240 nan 0.000 0.490 4713 G N 1.528 110.340 108.800 0.020 0.000 2.143 4713 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.248 4713 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.248 4713 G C 0.282 175.193 174.900 0.020 0.000 0.991 4713 G CA 0.035 45.148 45.100 0.022 0.000 0.689 4713 G HN 1.208 nan 8.290 nan 0.000 0.522 4714 A N -0.327 122.504 122.820 0.018 0.000 2.445 4714 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 4714 A C 0.459 178.053 177.584 0.017 0.000 1.075 4714 A CA 0.550 52.602 52.037 0.025 0.000 0.777 4714 A CB 0.378 19.398 19.000 0.034 0.000 1.013 4714 A HN 0.818 nan 8.150 nan 0.000 0.493 4715 N N 1.659 120.372 118.700 0.021 0.000 2.444 4715 N HA 0.358 5.098 4.740 -0.001 0.000 0.262 4715 N C -0.874 174.648 175.510 0.020 0.000 0.974 4715 N CA -0.357 52.703 53.050 0.016 0.000 0.933 4715 N CB 1.160 39.656 38.487 0.015 0.000 1.137 4715 N HN 0.288 nan 8.380 nan 0.000 0.498 4716 V N 4.912 124.835 119.914 0.014 0.000 2.485 4716 V HA 0.141 4.260 4.120 -0.001 0.000 0.287 4716 V C 0.400 176.505 176.094 0.017 0.000 1.022 4716 V CA -0.063 62.247 62.300 0.017 0.000 1.067 4716 V CB -0.126 31.703 31.823 0.009 0.000 0.967 4716 V HN 0.516 nan 8.190 nan 0.000 0.479 4717 I N 4.134 124.717 120.570 0.022 0.000 2.441 4717 I HA 0.438 4.608 4.170 -0.001 0.000 0.295 4717 I C 0.986 177.114 176.117 0.018 0.000 0.994 4717 I CA -0.337 60.974 61.300 0.019 0.000 1.144 4717 I CB 1.314 39.326 38.000 0.021 0.000 1.314 4717 I HN 0.635 nan 8.210 nan 0.000 0.445 4718 A N 5.622 128.451 122.820 0.014 0.000 1.832 4718 A HA 0.355 4.674 4.320 -0.001 0.000 0.214 4718 A C 1.079 178.671 177.584 0.014 0.000 1.204 4718 A CA 1.095 53.140 52.037 0.013 0.000 0.606 4718 A CB -0.176 18.830 19.000 0.010 0.000 0.849 4718 A HN 0.733 nan 8.150 nan 0.000 0.445 4719 A N -1.023 121.805 122.820 0.013 0.000 2.317 4719 A HA 0.645 4.965 4.320 -0.001 0.000 0.327 4719 A C 0.737 178.330 177.584 0.014 0.000 1.178 4719 A CA -0.594 51.451 52.037 0.013 0.000 0.817 4719 A CB 0.402 19.409 19.000 0.011 0.000 1.189 4719 A HN 0.364 nan 8.150 nan 0.000 0.489 4720 I N 1.820 122.399 120.570 0.015 0.000 2.335 4720 I HA -0.332 3.838 4.170 -0.001 0.000 0.251 4720 I C 2.755 178.881 176.117 0.014 0.000 1.129 4720 I CA 1.637 62.946 61.300 0.016 0.000 1.402 4720 I CB -0.246 37.763 38.000 0.016 0.000 1.069 4720 I HN 0.779 nan 8.210 nan 0.000 0.424 4721 A N 0.818 123.645 122.820 0.012 0.000 1.917 4721 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 4721 A C 2.505 180.095 177.584 0.010 0.000 1.182 4721 A CA 2.091 54.134 52.037 0.010 0.000 0.633 4721 A CB -0.745 18.260 19.000 0.009 0.000 0.819 4721 A HN 0.460 nan 8.150 nan 0.000 0.448 4722 A N -1.297 121.529 122.820 0.011 0.000 2.067 4722 A HA 0.291 4.611 4.320 -0.001 0.000 0.217 4722 A C 1.023 178.615 177.584 0.012 0.000 1.156 4722 A CA 0.471 52.515 52.037 0.011 0.000 0.683 4722 A CB -0.451 18.555 19.000 0.010 0.000 0.808 4722 A HN 0.598 nan 8.150 nan 0.000 0.455 4723 L N 1.820 123.052 121.223 0.014 0.000 2.477 4723 L HA 0.360 4.699 4.340 -0.001 0.000 0.272 4723 L C 0.379 177.258 176.870 0.015 0.000 1.157 4723 L CA 0.503 55.353 54.840 0.016 0.000 0.889 4723 L CB 0.385 42.455 42.059 0.019 0.000 1.158 4723 L HN 0.344 nan 8.230 nan 0.000 0.473 4724 S N 3.376 119.085 115.700 0.015 0.000 2.704 4724 S HA 0.781 5.250 4.470 -0.001 0.000 0.296 4724 S C 0.836 175.446 174.600 0.016 0.000 1.138 4724 S CA -0.350 57.859 58.200 0.014 0.000 0.875 4724 S CB 1.277 64.484 63.200 0.012 0.000 1.151 4724 S HN 0.811 nan 8.310 nan 0.000 0.500 4725 A N 0.373 123.202 122.820 0.015 0.000 2.024 4725 A HA -0.082 4.238 4.320 -0.001 0.000 0.220 4725 A C 2.021 179.616 177.584 0.018 0.000 1.164 4725 A CA 1.528 53.575 52.037 0.016 0.000 0.643 4725 A CB -1.059 17.949 19.000 0.014 0.000 0.806 4725 A HN 0.857 nan 8.150 nan 0.000 0.451 4726 Q N -0.521 119.289 119.800 0.016 0.000 2.436 4726 Q HA -0.100 4.240 4.340 -0.001 0.000 0.209 4726 Q C 0.545 176.556 176.000 0.018 0.000 0.965 4726 Q CA 0.979 56.792 55.803 0.016 0.000 0.910 4726 Q CB 0.012 28.758 28.738 0.013 0.000 0.980 4726 Q HN 0.612 nan 8.270 nan 0.000 0.491 4727 D N -0.205 120.207 120.400 0.020 0.000 2.350 4727 D HA 0.015 4.655 4.640 -0.001 0.000 0.213 4727 D C -0.148 176.170 176.300 0.028 0.000 1.031 4727 D CA 0.221 54.234 54.000 0.022 0.000 0.861 4727 D CB 0.375 41.188 40.800 0.021 0.000 0.926 4727 D HN 0.096 nan 8.370 nan 0.000 0.520 4728 L N 0.966 122.207 121.223 0.031 0.000 2.380 4728 L HA 0.325 4.665 4.340 -0.001 0.000 0.273 4728 L C 1.285 178.178 176.870 0.040 0.000 1.138 4728 L CA -0.031 54.832 54.840 0.039 0.000 0.832 4728 L CB 1.013 43.094 42.059 0.036 0.000 1.124 4728 L HN -0.174 nan 8.230 nan 0.000 0.454 4729 G N 1.182 110.011 108.800 0.048 0.000 2.488 4729 G HA2 0.535 4.494 3.960 -0.001 0.000 0.318 4729 G HA3 0.535 4.494 3.960 -0.001 0.000 0.318 4729 G C -1.111 173.820 174.900 0.052 0.000 1.188 4729 G CA -0.460 44.667 45.100 0.046 0.000 0.944 4729 G HN 0.529 nan 8.290 nan 0.000 0.495 4730 D N -0.395 120.034 120.400 0.047 0.000 2.350 4730 D HA 0.661 5.301 4.640 -0.001 0.000 0.245 4730 D C -0.250 176.076 176.300 0.044 0.000 1.036 4730 D CA 0.066 54.093 54.000 0.045 0.000 0.848 4730 D CB 1.971 42.795 40.800 0.039 0.000 1.307 4730 D HN 0.592 nan 8.370 nan 0.000 0.469 4731 A N 0.303 123.150 122.820 0.046 0.000 2.488 4731 A HA 0.623 4.942 4.320 -0.001 0.000 0.298 4731 A C 0.961 178.567 177.584 0.037 0.000 1.044 4731 A CA -0.413 51.650 52.037 0.045 0.000 0.693 4731 A CB 1.614 20.655 19.000 0.069 0.000 1.272 4731 A HN 0.487 nan 8.150 nan 0.000 0.402 4732 G N 0.328 109.143 108.800 0.025 0.000 2.408 4732 G HA2 0.300 4.260 3.960 -0.001 0.000 0.217 4732 G HA3 0.300 4.260 3.960 -0.001 0.000 0.217 4732 G C 0.284 175.199 174.900 0.026 0.000 1.150 4732 G CA 1.650 46.761 45.100 0.018 0.000 0.776 4732 G HN 1.220 nan 8.290 nan 0.000 0.542 4733 L N 0.122 121.369 121.223 0.039 0.000 2.562 4733 L HA 0.584 4.923 4.340 -0.001 0.000 0.266 4733 L C -1.332 175.585 176.870 0.077 0.000 0.949 4733 L CA -0.733 54.135 54.840 0.047 0.000 0.879 4733 L CB 2.421 44.500 42.059 0.033 0.000 1.278 4733 L HN -0.148 nan 8.230 nan 0.000 0.404 4734 V N 4.495 124.460 119.914 0.084 0.000 2.334 4734 V HA 0.625 4.744 4.120 -0.001 0.000 0.281 4734 V C -0.364 175.792 176.094 0.104 0.000 1.016 4734 V CA -0.426 61.947 62.300 0.121 0.000 0.832 4734 V CB 1.390 33.295 31.823 0.136 0.000 0.999 4734 V HN 0.823 nan 8.190 nan 0.000 0.439 4735 E N 3.268 123.551 120.200 0.138 0.000 2.292 4735 E HA 0.389 4.739 4.350 -0.001 0.000 0.272 4735 E C -0.881 175.819 176.600 0.167 0.000 0.881 4735 E CA -0.681 55.784 56.400 0.108 0.000 0.754 4735 E CB 2.067 31.801 29.700 0.057 0.000 1.201 4735 E HN 0.742 nan 8.360 nan 0.000 0.425 4736 E N 4.418 124.686 120.200 0.114 0.000 2.129 4736 E HA 0.200 4.550 4.350 -0.001 0.000 0.283 4736 E C -0.866 175.800 176.600 0.110 0.000 1.080 4736 E CA -0.159 56.318 56.400 0.128 0.000 0.867 4736 E CB 0.603 30.346 29.700 0.072 0.000 1.056 4736 E HN 0.346 nan 8.360 nan 0.000 0.404 4737 R N 3.597 124.207 120.500 0.183 0.000 2.750 4737 R HA 0.412 4.752 4.340 -0.001 0.000 0.281 4737 R C -0.683 175.707 176.300 0.149 0.000 0.972 4737 R CA -0.924 55.229 56.100 0.088 0.000 0.912 4737 R CB 1.968 32.186 30.300 -0.136 0.000 1.187 4737 R HN 0.329 nan 8.270 nan 0.000 0.464 4738 K N 1.971 122.414 120.400 0.072 0.000 2.159 4738 K HA 0.459 4.778 4.320 -0.001 0.000 0.266 4738 K C -0.756 175.888 176.600 0.074 0.000 0.975 4738 K CA -0.458 55.873 56.287 0.074 0.000 0.865 4738 K CB 1.736 34.260 32.500 0.039 0.000 1.087 4738 K HN 0.434 nan 8.250 nan 0.000 0.446 4739 I N 1.413 122.037 120.570 0.091 0.000 2.468 4739 I HA 0.056 4.226 4.170 -0.001 0.000 0.285 4739 I C -0.634 175.514 176.117 0.051 0.000 1.039 4739 I CA -0.017 61.331 61.300 0.080 0.000 1.074 4739 I CB 1.324 39.404 38.000 0.132 0.000 1.228 4739 I HN 0.700 nan 8.210 nan 0.000 0.436 4740 S N 4.742 120.462 115.700 0.033 0.000 3.521 4740 S HA -0.198 4.272 4.470 -0.001 0.000 0.328 4740 S C 1.070 175.681 174.600 0.019 0.000 1.165 4740 S CA 1.183 59.396 58.200 0.021 0.000 0.941 4740 S CB -1.612 61.599 63.200 0.018 0.000 0.951 4740 S HN 1.594 nan 8.310 nan 0.000 0.539 4741 G N 0.089 108.902 108.800 0.022 0.000 2.284 4741 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.230 4741 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.230 4741 G C -0.417 174.498 174.900 0.026 0.000 1.021 4741 G CA 0.122 45.234 45.100 0.020 0.000 0.619 4741 G HN 0.596 nan 8.290 nan 0.000 0.510 4742 D N 1.264 121.683 120.400 0.031 0.000 2.308 4742 D HA 0.471 5.110 4.640 -0.001 0.000 0.251 4742 D C 0.303 176.636 176.300 0.054 0.000 1.127 4742 D CA 0.498 54.518 54.000 0.034 0.000 0.876 4742 D CB 1.614 42.429 40.800 0.025 0.000 1.176 4742 D HN 0.197 nan 8.370 nan 0.000 0.446 4743 S N 2.911 118.640 115.700 0.048 0.000 2.481 4743 S HA 0.399 4.869 4.470 -0.001 0.000 0.276 4743 S C -0.229 174.413 174.600 0.070 0.000 1.247 4743 S CA -0.402 57.838 58.200 0.067 0.000 1.053 4743 S CB 0.035 63.264 63.200 0.047 0.000 0.925 4743 S HN 0.313 nan 8.310 nan 0.000 0.491 4744 M N 4.475 124.145 119.600 0.117 0.000 2.619 4744 M HA 0.532 5.012 4.480 -0.001 0.000 0.297 4744 M C -1.069 175.305 176.300 0.124 0.000 1.229 4744 M CA -0.638 54.700 55.300 0.062 0.000 0.860 4744 M CB 2.152 34.737 32.600 -0.026 0.000 1.741 4744 M HN 0.438 nan 8.290 nan 0.000 0.462 4745 I N 1.687 122.269 120.570 0.021 0.000 2.339 4745 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 4745 I C -1.346 174.753 176.117 -0.030 0.000 0.994 4745 I CA -0.368 61.002 61.300 0.116 0.000 1.191 4745 I CB 0.931 39.033 38.000 0.170 0.000 1.343 4745 I HN 0.437 nan 8.210 nan 0.000 0.458 4746 F N 5.971 125.958 119.950 0.061 0.000 2.385 4746 F HA 0.379 4.906 4.527 -0.001 0.000 0.360 4746 F C 0.092 175.926 175.800 0.056 0.000 1.122 4746 F CA -0.772 57.255 58.000 0.044 0.000 1.090 4746 F CB 1.361 40.378 39.000 0.027 0.000 1.150 4746 F HN 0.015 nan 8.300 nan 0.000 0.472 4747 V N 4.424 124.432 119.914 0.157 0.000 2.311 4747 V HA 0.398 4.518 4.120 -0.001 0.000 0.275 4747 V C -0.299 175.851 176.094 0.094 0.000 1.022 4747 V CA -0.534 61.837 62.300 0.117 0.000 0.830 4747 V CB 0.567 32.424 31.823 0.057 0.000 1.012 4747 V HN 0.838 nan 8.190 nan 0.000 0.452 4748 E N 3.139 123.397 120.200 0.097 0.000 2.446 4748 E HA 0.622 4.971 4.350 -0.001 0.000 0.276 4748 E C -0.669 175.957 176.600 0.044 0.000 0.969 4748 E CA -0.877 55.566 56.400 0.072 0.000 0.800 4748 E CB 1.680 31.434 29.700 0.091 0.000 1.341 4748 E HN 0.219 nan 8.360 nan 0.000 0.460 4749 E N -1.203 119.011 120.200 0.023 0.000 3.181 4749 E HA -0.156 4.193 4.350 -0.001 0.000 0.293 4749 E C -0.552 176.042 176.600 -0.009 0.000 0.936 4749 E CA 0.748 57.149 56.400 0.002 0.000 0.975 4749 E CB -2.397 27.307 29.700 0.006 0.000 1.496 4749 E HN 0.593 nan 8.360 nan 0.000 0.429 4750 C N 0.966 120.263 119.300 -0.005 0.000 2.689 4750 C HA 0.068 4.528 4.460 -0.001 0.000 0.409 4750 C C 2.304 177.257 174.990 -0.061 0.000 1.293 4750 C CA -0.029 58.983 59.018 -0.011 0.000 2.136 4750 C CB 0.420 28.163 27.740 0.005 0.000 2.719 4750 C HN 0.355 nan 8.230 nan 0.000 0.644 4751 K N 0.416 120.772 120.400 -0.072 0.000 2.001 4751 K HA -0.133 4.187 4.320 -0.001 0.000 0.214 4751 K C 0.064 176.375 176.600 -0.481 0.000 1.050 4751 K CA 1.784 57.938 56.287 -0.221 0.000 0.934 4751 K CB -0.136 32.325 32.500 -0.064 0.000 0.718 4751 K HN 0.732 nan 8.250 nan 0.000 0.443 4752 H N -0.405 118.670 119.070 0.007 0.000 2.488 4752 H HA 0.202 4.757 4.556 -0.001 0.000 0.237 4752 H C -2.592 172.738 175.328 0.002 0.000 1.395 4752 H CA -1.751 54.299 56.048 0.005 0.000 1.491 4752 H CB 0.699 30.463 29.762 0.003 0.000 1.567 4752 H HN 0.121 nan 8.280 nan 0.000 0.508 4753 P HA 0.063 nan 4.420 nan 0.000 0.271 4753 P C 0.148 177.472 177.300 0.040 0.000 1.220 4753 P CA -0.519 62.604 63.100 0.037 0.000 0.768 4753 P CB 1.570 33.279 31.700 0.015 0.000 0.848 4754 K N 1.052 121.468 120.400 0.027 0.000 2.399 4754 K HA 0.459 4.778 4.320 -0.001 0.000 0.204 4754 K C 0.373 176.975 176.600 0.004 0.000 1.023 4754 K CA -0.292 56.007 56.287 0.019 0.000 1.127 4754 K CB 0.492 33.001 32.500 0.015 0.000 0.856 4754 K HN 0.542 nan 8.250 nan 0.000 0.514 4755 A N 0.513 123.332 122.820 -0.002 0.000 2.486 4755 A HA 0.662 4.982 4.320 -0.001 0.000 0.300 4755 A C -0.597 176.981 177.584 -0.010 0.000 1.048 4755 A CA -0.726 51.304 52.037 -0.012 0.000 0.696 4755 A CB 1.475 20.458 19.000 -0.027 0.000 1.278 4755 A HN -0.040 nan 8.150 nan 0.000 0.405 4756 V N -1.090 118.818 119.914 -0.010 0.000 3.074 4756 V HA 0.966 5.086 4.120 -0.001 0.000 0.314 4756 V C -0.434 175.651 176.094 -0.014 0.000 1.117 4756 V CA -0.579 61.718 62.300 -0.006 0.000 1.014 4756 V CB 1.714 33.538 31.823 0.003 0.000 1.057 4756 V HN 0.853 nan 8.190 nan 0.000 0.438 4757 T N 4.092 118.640 114.554 -0.010 0.000 2.841 4757 T HA 0.513 4.863 4.350 -0.001 0.000 0.285 4757 T C -0.517 174.182 174.700 -0.003 0.000 0.991 4757 T CA -0.212 61.875 62.100 -0.021 0.000 0.966 4757 T CB 1.346 70.185 68.868 -0.049 0.000 0.962 4757 T HN 0.957 nan 8.240 nan 0.000 0.438 4758 M N 4.892 124.488 119.600 -0.006 0.000 2.063 4758 M HA 0.477 4.957 4.480 -0.001 0.000 0.348 4758 M C -1.155 175.147 176.300 0.003 0.000 1.180 4758 M CA -0.709 54.593 55.300 0.004 0.000 1.059 4758 M CB 0.276 32.877 32.600 0.002 0.000 1.544 4758 M HN 0.532 nan 8.290 nan 0.000 0.447 4759 L N 7.305 128.539 121.223 0.019 0.000 2.259 4759 L HA 0.467 4.806 4.340 -0.001 0.000 0.288 4759 L C -1.042 175.843 176.870 0.025 0.000 1.051 4759 L CA -0.411 54.444 54.840 0.025 0.000 0.824 4759 L CB 0.443 42.540 42.059 0.064 0.000 1.206 4759 L HN 0.755 nan 8.230 nan 0.000 0.429 4760 I N 5.532 126.111 120.570 0.014 0.000 2.325 4760 I HA 0.318 4.488 4.170 -0.001 0.000 0.291 4760 I C 0.227 176.352 176.117 0.014 0.000 1.019 4760 I CA -0.304 61.004 61.300 0.013 0.000 1.302 4760 I CB 0.861 38.865 38.000 0.007 0.000 1.401 4760 I HN 0.577 nan 8.210 nan 0.000 0.485 4761 R N 4.031 124.541 120.500 0.016 0.000 2.828 4761 R HA 0.898 5.237 4.340 -0.001 0.000 0.264 4761 R C -0.238 176.069 176.300 0.012 0.000 1.022 4761 R CA -0.974 55.135 56.100 0.016 0.000 1.021 4761 R CB 2.154 32.466 30.300 0.020 0.000 1.163 4761 R HN 0.831 nan 8.270 nan 0.000 0.494 4762 G N -0.905 107.901 108.800 0.010 0.000 2.340 4762 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.298 4762 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.298 4762 G C -0.090 174.815 174.900 0.007 0.000 1.498 4762 G CA -0.480 44.626 45.100 0.010 0.000 0.847 4762 G HN 0.413 nan 8.290 nan 0.000 0.594 4763 T N -0.668 113.892 114.554 0.010 0.000 2.995 4763 T HA 0.279 4.628 4.350 -0.001 0.000 0.269 4763 T C 0.782 175.486 174.700 0.006 0.000 1.091 4763 T CA 2.171 64.277 62.100 0.009 0.000 1.128 4763 T CB -0.219 68.656 68.868 0.013 0.000 0.891 4763 T HN 0.701 nan 8.240 nan 0.000 0.492 4764 T N 1.027 115.585 114.554 0.006 0.000 2.956 4764 T HA 0.272 4.622 4.350 -0.001 0.000 0.312 4764 T C 0.275 174.959 174.700 -0.026 0.000 1.151 4764 T CA -0.776 61.321 62.100 -0.004 0.000 1.024 4764 T CB 2.165 71.050 68.868 0.029 0.000 1.140 4764 T HN -0.109 nan 8.240 nan 0.000 0.473 4765 E N 1.013 121.157 120.200 -0.094 0.000 2.070 4765 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 4765 E C 1.667 178.192 176.600 -0.125 0.000 1.004 4765 E CA 1.672 57.982 56.400 -0.151 0.000 0.805 4765 E CB -0.071 29.469 29.700 -0.266 0.000 0.744 4765 E HN 0.560 nan 8.360 nan 0.000 0.451 4766 H N -0.238 118.834 119.070 0.005 0.000 2.491 4766 H HA -0.009 4.546 4.556 -0.001 0.000 0.290 4766 H C 2.265 177.596 175.328 0.005 0.000 1.050 4766 H CA 0.613 56.663 56.048 0.004 0.000 1.309 4766 H CB -0.039 29.725 29.762 0.004 0.000 1.392 4766 H HN -0.009 nan 8.280 nan 0.000 0.554 4767 V N 1.894 121.873 119.914 0.109 0.000 2.323 4767 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 4767 V C 2.581 178.701 176.094 0.044 0.000 1.041 4767 V CA 1.603 63.942 62.300 0.065 0.000 1.025 4767 V CB -0.455 31.396 31.823 0.046 0.000 0.656 4767 V HN 0.413 nan 8.190 nan 0.000 0.451 4768 I N -1.905 118.682 120.570 0.028 0.000 3.111 4768 I HA -0.035 4.135 4.170 -0.001 0.000 0.272 4768 I C 2.060 178.189 176.117 0.019 0.000 1.268 4768 I CA 1.216 62.526 61.300 0.017 0.000 1.467 4768 I CB -0.556 37.447 38.000 0.004 0.000 1.087 4768 I HN 0.280 nan 8.210 nan 0.000 0.467 4769 E N 1.533 121.752 120.200 0.032 0.000 2.106 4769 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 4769 E C 1.960 178.583 176.600 0.039 0.000 0.984 4769 E CA 1.115 57.540 56.400 0.042 0.000 0.806 4769 E CB 0.040 29.790 29.700 0.082 0.000 0.750 4769 E HN 0.538 nan 8.360 nan 0.000 0.458 4770 E N 0.330 120.556 120.200 0.043 0.000 2.107 4770 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 4770 E C 2.316 178.931 176.600 0.025 0.000 0.982 4770 E CA 0.553 56.972 56.400 0.032 0.000 0.809 4770 E CB -0.042 29.678 29.700 0.034 0.000 0.756 4770 E HN 0.126 nan 8.360 nan 0.000 0.459 4771 V N 1.839 121.768 119.914 0.024 0.000 2.358 4771 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 4771 V C 2.498 178.601 176.094 0.014 0.000 1.047 4771 V CA 1.723 64.034 62.300 0.018 0.000 1.035 4771 V CB -0.885 30.948 31.823 0.017 0.000 0.658 4771 V HN 0.223 nan 8.190 nan 0.000 0.452 4772 A N 0.442 123.270 122.820 0.013 0.000 1.892 4772 A HA -0.306 4.013 4.320 -0.001 0.000 0.218 4772 A C 2.318 179.907 177.584 0.009 0.000 1.188 4772 A CA 2.478 54.520 52.037 0.009 0.000 0.631 4772 A CB -0.549 18.455 19.000 0.007 0.000 0.822 4772 A HN 0.467 nan 8.150 nan 0.000 0.447 4773 R N -0.069 120.438 120.500 0.012 0.000 2.092 4773 R HA 0.069 4.409 4.340 -0.001 0.000 0.231 4773 R C 2.161 178.467 176.300 0.011 0.000 1.119 4773 R CA 1.759 57.866 56.100 0.011 0.000 0.970 4773 R CB -0.882 29.425 30.300 0.012 0.000 0.864 4773 R HN 0.390 nan 8.270 nan 0.000 0.440 4774 A N 0.143 122.971 122.820 0.013 0.000 1.908 4774 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 4774 A C 2.161 179.752 177.584 0.012 0.000 1.181 4774 A CA 1.973 54.018 52.037 0.014 0.000 0.627 4774 A CB -0.853 18.157 19.000 0.017 0.000 0.818 4774 A HN 0.314 nan 8.150 nan 0.000 0.445 4775 V N -2.277 117.643 119.914 0.010 0.000 2.951 4775 V HA -0.046 4.073 4.120 -0.001 0.000 0.255 4775 V C 1.776 177.873 176.094 0.006 0.000 1.088 4775 V CA 2.142 64.446 62.300 0.008 0.000 1.109 4775 V CB -0.666 31.161 31.823 0.007 0.000 0.724 4775 V HN 0.452 nan 8.190 nan 0.000 0.471 4776 D N 1.153 121.556 120.400 0.005 0.000 2.178 4776 D HA -0.189 4.450 4.640 -0.001 0.000 0.201 4776 D C 1.682 177.985 176.300 0.004 0.000 0.980 4776 D CA 1.776 55.778 54.000 0.004 0.000 0.842 4776 D CB -0.043 40.759 40.800 0.003 0.000 0.948 4776 D HN 0.514 nan 8.370 nan 0.000 0.472 4777 D N -0.513 119.891 120.400 0.006 0.000 2.149 4777 D HA 0.035 4.674 4.640 -0.001 0.000 0.206 4777 D C 2.042 178.346 176.300 0.007 0.000 0.967 4777 D CA 1.254 55.258 54.000 0.007 0.000 0.848 4777 D CB -0.611 40.194 40.800 0.009 0.000 0.998 4777 D HN 0.253 nan 8.370 nan 0.000 0.474 4778 A N 0.847 123.672 122.820 0.008 0.000 1.908 4778 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 4778 A C 2.367 179.955 177.584 0.006 0.000 1.181 4778 A CA 1.420 53.461 52.037 0.008 0.000 0.627 4778 A CB -0.921 18.083 19.000 0.008 0.000 0.818 4778 A HN 0.188 nan 8.150 nan 0.000 0.445 4779 V N -0.154 119.763 119.914 0.005 0.000 2.759 4779 V HA -0.072 4.047 4.120 -0.001 0.000 0.256 4779 V C 2.258 178.354 176.094 0.004 0.000 1.080 4779 V CA 2.111 64.413 62.300 0.004 0.000 1.101 4779 V CB -0.614 31.211 31.823 0.003 0.000 0.698 4779 V HN 0.569 nan 8.190 nan 0.000 0.477 4780 G N -0.240 108.562 108.800 0.004 0.000 2.395 4780 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.214 4780 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.214 4780 G C 1.615 176.518 174.900 0.005 0.000 1.177 4780 G CA 1.218 46.321 45.100 0.004 0.000 0.794 4780 G HN 0.660 nan 8.290 nan 0.000 0.532 4781 V N -1.076 118.842 119.914 0.006 0.000 2.871 4781 V HA 0.002 4.122 4.120 -0.001 0.000 0.256 4781 V C 2.574 178.671 176.094 0.006 0.000 1.082 4781 V CA 1.196 63.500 62.300 0.007 0.000 1.105 4781 V CB -0.361 31.466 31.823 0.008 0.000 0.713 4781 V HN 0.114 nan 8.190 nan 0.000 0.473 4782 V N 2.013 121.930 119.914 0.006 0.000 2.379 4782 V HA -0.005 4.114 4.120 -0.001 0.000 0.245 4782 V C 2.919 179.016 176.094 0.005 0.000 1.044 4782 V CA 2.125 64.428 62.300 0.005 0.000 1.036 4782 V CB -1.316 30.509 31.823 0.004 0.000 0.664 4782 V HN 0.605 nan 8.190 nan 0.000 0.453 4783 G N -1.367 107.436 108.800 0.005 0.000 2.418 4783 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.217 4783 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.217 4783 G C 1.887 176.790 174.900 0.005 0.000 1.158 4783 G CA 1.199 46.302 45.100 0.004 0.000 0.771 4783 G HN 0.529 nan 8.290 nan 0.000 0.545 4784 C N 0.535 119.838 119.300 0.005 0.000 2.429 4784 C HA -0.022 4.438 4.460 -0.001 0.000 0.277 4784 C C 3.150 178.144 174.990 0.007 0.000 1.262 4784 C CA 2.002 61.023 59.018 0.006 0.000 1.733 4784 C CB -1.052 26.692 27.740 0.007 0.000 2.010 4784 C HN 0.400 nan 8.230 nan 0.000 0.483 4785 T N 1.015 115.573 114.554 0.007 0.000 2.833 4785 T HA -0.088 4.262 4.350 -0.001 0.000 0.269 4785 T C 1.570 176.274 174.700 0.006 0.000 1.054 4785 T CA 1.811 63.915 62.100 0.007 0.000 1.135 4785 T CB -0.247 68.625 68.868 0.006 0.000 0.869 4785 T HN 0.590 nan 8.240 nan 0.000 0.466 4786 I N 0.633 121.206 120.570 0.005 0.000 2.286 4786 I HA -0.074 4.096 4.170 -0.001 0.000 0.245 4786 I C 2.537 178.658 176.117 0.005 0.000 1.104 4786 I CA 1.203 62.506 61.300 0.005 0.000 1.397 4786 I CB -0.254 37.749 38.000 0.005 0.000 1.072 4786 I HN 0.261 nan 8.210 nan 0.000 0.417 4787 E N 0.162 120.365 120.200 0.005 0.000 2.152 4787 E HA -0.081 4.269 4.350 -0.001 0.000 0.192 4787 E C -0.114 176.490 176.600 0.006 0.000 0.983 4787 E CA 0.699 57.102 56.400 0.005 0.000 0.818 4787 E CB 0.221 29.924 29.700 0.005 0.000 0.758 4787 E HN 0.375 nan 8.360 nan 0.000 0.467 4788 D N -0.532 119.872 120.400 0.007 0.000 2.505 4788 D HA 0.140 4.779 4.640 -0.001 0.000 0.250 4788 D C -0.060 176.244 176.300 0.008 0.000 1.164 4788 D CA -0.165 53.840 54.000 0.008 0.000 0.870 4788 D CB 1.720 42.526 40.800 0.009 0.000 1.160 4788 D HN 0.084 nan 8.370 nan 0.000 0.549 4789 G N 2.061 110.866 108.800 0.008 0.000 3.279 4789 G HA2 0.005 3.964 3.960 -0.001 0.000 0.230 4789 G HA3 0.005 3.964 3.960 -0.001 0.000 0.230 4789 G C 0.616 175.521 174.900 0.009 0.000 1.230 4789 G CA -0.095 45.009 45.100 0.007 0.000 0.891 4789 G HN 0.096 nan 8.290 nan 0.000 0.518 4790 R N -0.068 120.438 120.500 0.010 0.000 2.437 4790 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 4790 R C -0.477 175.831 176.300 0.012 0.000 0.955 4790 R CA -0.574 55.533 56.100 0.012 0.000 0.851 4790 R CB 1.519 31.827 30.300 0.013 0.000 1.161 4790 R HN 0.305 nan 8.270 nan 0.000 0.446 4791 I N -0.196 120.381 120.570 0.013 0.000 3.042 4791 I HA 0.843 5.012 4.170 -0.001 0.000 0.310 4791 I C -0.546 175.580 176.117 0.016 0.000 1.117 4791 I CA -1.246 60.062 61.300 0.013 0.000 1.003 4791 I CB 2.161 40.167 38.000 0.011 0.000 1.228 4791 I HN 0.315 nan 8.210 nan 0.000 0.443 4792 V N 0.141 120.066 119.914 0.017 0.000 3.130 4792 V HA 0.840 4.959 4.120 -0.001 0.000 0.310 4792 V C 0.071 176.179 176.094 0.023 0.000 1.158 4792 V CA -0.405 61.908 62.300 0.021 0.000 1.029 4792 V CB 1.162 32.999 31.823 0.024 0.000 1.057 4792 V HN 1.156 nan 8.190 nan 0.000 0.436 4793 S N 1.514 117.231 115.700 0.028 0.000 2.576 4793 S HA 0.701 5.170 4.470 -0.001 0.000 0.276 4793 S C 0.488 175.106 174.600 0.031 0.000 1.339 4793 S CA 0.153 58.372 58.200 0.030 0.000 1.039 4793 S CB 0.897 64.119 63.200 0.037 0.000 0.902 4793 S HN 1.802 nan 8.310 nan 0.000 0.516 4794 G N 0.072 108.891 108.800 0.031 0.000 2.641 4794 G HA2 0.556 4.516 3.960 -0.001 0.000 0.239 4794 G HA3 0.556 4.516 3.960 -0.001 0.000 0.239 4794 G C 0.893 175.812 174.900 0.031 0.000 1.402 4794 G CA -0.564 44.554 45.100 0.029 0.000 1.046 4794 G HN 2.025 nan 8.290 nan 0.000 0.565 4795 G N -2.226 106.592 108.800 0.029 0.000 2.155 4795 G HA2 0.237 4.196 3.960 -0.001 0.000 0.257 4795 G HA3 0.237 4.196 3.960 -0.001 0.000 0.257 4795 G C 1.459 176.361 174.900 0.003 0.000 0.983 4795 G CA 1.158 46.273 45.100 0.025 0.000 0.676 4795 G HN 2.515 nan 8.290 nan 0.000 0.528 4796 G N -1.294 107.501 108.800 -0.009 0.000 2.157 4796 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.248 4796 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.248 4796 G C 1.417 176.288 174.900 -0.049 0.000 0.979 4796 G CA 1.654 46.732 45.100 -0.036 0.000 0.650 4796 G HN 1.938 nan 8.290 nan 0.000 0.529 4797 S N 0.056 115.752 115.700 -0.007 0.000 2.368 4797 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 4797 S C 2.799 177.390 174.600 -0.015 0.000 1.030 4797 S CA 2.801 61.017 58.200 0.026 0.000 0.999 4797 S CB -0.528 62.739 63.200 0.112 0.000 0.844 4797 S HN 1.409 nan 8.310 nan 0.000 0.459 4798 T N -0.395 114.159 114.554 0.001 0.000 2.701 4798 T HA -0.046 4.303 4.350 -0.001 0.000 0.263 4798 T C 1.564 176.230 174.700 -0.058 0.000 1.040 4798 T CA 1.541 63.640 62.100 -0.001 0.000 1.147 4798 T CB -0.873 67.999 68.868 0.008 0.000 0.865 4798 T HN 0.405 nan 8.240 nan 0.000 0.426 4799 E N 1.054 121.208 120.200 -0.076 0.000 2.130 4799 E HA -0.077 4.273 4.350 -0.001 0.000 0.196 4799 E C 2.289 178.798 176.600 -0.153 0.000 0.998 4799 E CA 1.078 57.416 56.400 -0.105 0.000 0.806 4799 E CB -0.767 28.872 29.700 -0.101 0.000 0.738 4799 E HN 0.434 nan 8.360 nan 0.000 0.459 4800 V N 0.437 120.213 119.914 -0.230 0.000 2.323 4800 V HA -0.221 3.898 4.120 -0.001 0.000 0.244 4800 V C 2.286 178.140 176.094 -0.399 0.000 1.041 4800 V CA 1.842 63.926 62.300 -0.360 0.000 1.025 4800 V CB -0.436 31.054 31.823 -0.555 0.000 0.656 4800 V HN 0.212 nan 8.190 nan 0.000 0.451 4801 E N 0.618 120.577 120.200 -0.401 0.000 2.097 4801 E HA -0.232 4.118 4.350 -0.001 0.000 0.196 4801 E C 2.033 178.599 176.600 -0.057 0.000 1.000 4801 E CA 1.713 58.080 56.400 -0.056 0.000 0.804 4801 E CB -0.398 29.383 29.700 0.135 0.000 0.740 4801 E HN 0.557 nan 8.360 nan 0.000 0.454 4802 L N -0.148 121.032 121.223 -0.072 0.000 2.056 4802 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 4802 L C 2.542 179.364 176.870 -0.080 0.000 1.078 4802 L CA 1.271 56.077 54.840 -0.056 0.000 0.749 4802 L CB -0.391 41.652 42.059 -0.027 0.000 0.901 4802 L HN 0.111 nan 8.230 nan 0.000 0.433 4803 S N -0.562 115.079 115.700 -0.099 0.000 2.382 4803 S HA -0.148 4.322 4.470 -0.001 0.000 0.228 4803 S C 2.015 176.560 174.600 -0.091 0.000 1.027 4803 S CA 1.224 59.370 58.200 -0.091 0.000 0.991 4803 S CB -0.110 63.028 63.200 -0.104 0.000 0.823 4803 S HN 0.270 nan 8.310 nan 0.000 0.469 4804 M N 1.382 120.924 119.600 -0.097 0.000 2.064 4804 M HA -0.049 4.430 4.480 -0.001 0.000 0.260 4804 M C 2.042 178.258 176.300 -0.140 0.000 1.073 4804 M CA 1.608 56.862 55.300 -0.077 0.000 1.124 4804 M CB -1.105 31.485 32.600 -0.018 0.000 1.326 4804 M HN 0.225 nan 8.290 nan 0.000 0.410 4805 K N 0.251 120.521 120.400 -0.216 0.000 2.103 4805 K HA 0.002 4.322 4.320 -0.001 0.000 0.204 4805 K C 2.061 178.148 176.600 -0.854 0.000 1.052 4805 K CA 0.871 56.866 56.287 -0.486 0.000 0.945 4805 K CB -0.177 32.050 32.500 -0.455 0.000 0.722 4805 K HN 0.261 nan 8.250 nan 0.000 0.443 4806 L N 0.535 121.465 121.223 -0.488 0.000 2.201 4806 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 4806 L C 2.341 179.153 176.870 -0.095 0.000 1.105 4806 L CA 0.965 55.648 54.840 -0.262 0.000 0.775 4806 L CB -0.276 41.778 42.059 -0.009 0.000 0.913 4806 L HN 0.129 nan 8.230 nan 0.000 0.440 4807 R N 0.044 120.485 120.500 -0.098 0.000 2.115 4807 R HA -0.149 4.191 4.340 -0.001 0.000 0.230 4807 R C 2.083 178.379 176.300 -0.005 0.000 1.111 4807 R CA 1.223 57.307 56.100 -0.027 0.000 0.976 4807 R CB -0.127 30.157 30.300 -0.028 0.000 0.870 4807 R HN 0.463 nan 8.270 nan 0.000 0.445 4808 E N -0.523 119.646 120.200 -0.051 0.000 2.107 4808 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 4808 E C 1.575 178.296 176.600 0.202 0.000 0.982 4808 E CA 0.809 57.235 56.400 0.044 0.000 0.809 4808 E CB 0.015 29.728 29.700 0.023 0.000 0.756 4808 E HN 0.320 nan 8.360 nan 0.000 0.459 4809 Y N 0.655 120.971 120.300 0.026 0.000 2.224 4809 Y HA -0.087 4.462 4.550 -0.001 0.000 0.289 4809 Y C 2.400 178.311 175.900 0.019 0.000 1.146 4809 Y CA 0.587 58.699 58.100 0.020 0.000 1.182 4809 Y CB -1.159 37.313 38.460 0.020 0.000 0.983 4809 Y HN 0.033 nan 8.280 nan 0.000 0.524 4810 A N 0.270 123.202 122.820 0.186 0.000 1.940 4810 A HA -0.169 4.151 4.320 -0.001 0.000 0.219 4810 A C 2.175 179.810 177.584 0.085 0.000 1.176 4810 A CA 1.677 53.782 52.037 0.114 0.000 0.631 4810 A CB -0.396 18.659 19.000 0.092 0.000 0.814 4810 A HN 0.319 nan 8.150 nan 0.000 0.446 4811 E N -0.549 119.701 120.200 0.084 0.000 2.106 4811 E HA -0.111 4.238 4.350 -0.001 0.000 0.192 4811 E C 2.147 178.781 176.600 0.055 0.000 0.984 4811 E CA 1.139 57.576 56.400 0.062 0.000 0.806 4811 E CB -0.610 29.125 29.700 0.058 0.000 0.750 4811 E HN 0.595 nan 8.360 nan 0.000 0.458 4812 G N 0.919 109.761 108.800 0.069 0.000 2.430 4812 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.216 4812 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.216 4812 G C 1.742 176.658 174.900 0.027 0.000 1.146 4812 G CA 0.162 45.288 45.100 0.043 0.000 0.793 4812 G HN 0.142 nan 8.290 nan 0.000 0.537 4813 I N -0.105 120.487 120.570 0.037 0.000 2.163 4813 I HA -0.025 4.144 4.170 -0.001 0.000 0.240 4813 I C 1.762 177.891 176.117 0.019 0.000 1.081 4813 I CA 0.832 62.146 61.300 0.023 0.000 1.353 4813 I CB -0.306 37.714 38.000 0.034 0.000 1.054 4813 I HN 0.308 nan 8.210 nan 0.000 0.407 4814 S N -1.138 114.578 115.700 0.028 0.000 3.633 4814 S HA -0.118 4.351 4.470 -0.001 0.000 0.637 4814 S C 0.448 175.058 174.600 0.017 0.000 2.289 4814 S CA 0.755 58.968 58.200 0.022 0.000 2.476 4814 S CB -1.420 61.790 63.200 0.016 0.000 0.330 4814 S HN 1.458 nan 8.310 nan 0.000 1.787 4815 G N 0.665 109.473 108.800 0.013 0.000 2.601 4815 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.261 4815 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.261 4815 G C 0.329 175.236 174.900 0.011 0.000 1.289 4815 G CA 0.968 46.072 45.100 0.008 0.000 0.920 4815 G HN 1.091 nan 8.290 nan 0.000 0.571 4816 R N 0.213 120.718 120.500 0.007 0.000 2.115 4816 R HA 0.025 4.365 4.340 -0.001 0.000 0.226 4816 R C 2.534 178.841 176.300 0.011 0.000 1.100 4816 R CA 1.372 57.478 56.100 0.010 0.000 0.980 4816 R CB -0.234 30.070 30.300 0.007 0.000 0.875 4816 R HN 0.716 nan 8.270 nan 0.000 0.445 4817 E N 0.951 121.155 120.200 0.007 0.000 2.171 4817 E HA -0.262 4.087 4.350 -0.001 0.000 0.197 4817 E C 2.058 178.677 176.600 0.030 0.000 0.997 4817 E CA 1.073 57.478 56.400 0.008 0.000 0.810 4817 E CB 0.101 29.801 29.700 0.001 0.000 0.738 4817 E HN 0.205 nan 8.360 nan 0.000 0.467 4818 Q N 0.597 120.417 119.800 0.035 0.000 2.226 4818 Q HA -0.164 4.175 4.340 -0.001 0.000 0.204 4818 Q C 2.144 178.182 176.000 0.063 0.000 0.975 4818 Q CA 0.926 56.759 55.803 0.051 0.000 0.866 4818 Q CB -0.068 28.696 28.738 0.043 0.000 0.915 4818 Q HN 0.430 nan 8.270 nan 0.000 0.440 4819 L N 0.050 121.304 121.223 0.053 0.000 2.027 4819 L HA -0.140 4.199 4.340 -0.001 0.000 0.206 4819 L C 2.606 179.534 176.870 0.096 0.000 1.074 4819 L CA 1.268 56.144 54.840 0.060 0.000 0.745 4819 L CB -0.657 41.425 42.059 0.039 0.000 0.898 4819 L HN 0.166 nan 8.230 nan 0.000 0.433 4820 A N -0.553 122.322 122.820 0.092 0.000 1.929 4820 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 4820 A C 2.312 180.097 177.584 0.336 0.000 1.176 4820 A CA 1.279 53.416 52.037 0.166 0.000 0.628 4820 A CB -0.678 18.304 19.000 -0.029 0.000 0.816 4820 A HN 0.178 nan 8.150 nan 0.000 0.444 4821 V N 0.136 120.175 119.914 0.209 0.000 2.343 4821 V HA -0.229 3.891 4.120 -0.001 0.000 0.247 4821 V C 2.672 178.896 176.094 0.217 0.000 1.051 4821 V CA 2.327 64.747 62.300 0.200 0.000 1.036 4821 V CB -0.789 31.102 31.823 0.112 0.000 0.654 4821 V HN 0.623 nan 8.190 nan 0.000 0.451 4822 R N 1.130 121.726 120.500 0.160 0.000 2.081 4822 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 4822 R C 2.158 178.533 176.300 0.124 0.000 1.131 4822 R CA 1.922 58.093 56.100 0.118 0.000 0.960 4822 R CB -0.991 29.357 30.300 0.081 0.000 0.856 4822 R HN 0.431 nan 8.270 nan 0.000 0.436 4823 A N -0.453 122.466 122.820 0.165 0.000 1.933 4823 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 4823 A C 2.157 179.808 177.584 0.111 0.000 1.175 4823 A CA 1.333 53.461 52.037 0.151 0.000 0.628 4823 A CB -0.840 18.291 19.000 0.218 0.000 0.814 4823 A HN 0.486 nan 8.150 nan 0.000 0.444 4824 F N 0.982 120.943 119.950 0.018 0.000 2.075 4824 F HA -0.103 4.423 4.527 -0.001 0.000 0.297 4824 F C 2.536 178.258 175.800 -0.130 0.000 1.113 4824 F CA 1.516 59.400 58.000 -0.195 0.000 1.218 4824 F CB -0.398 38.517 39.000 -0.142 0.000 0.984 4824 F HN 0.245 nan 8.300 nan 0.000 0.472 4825 A N -0.172 122.721 122.820 0.120 0.000 1.902 4825 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 4825 A C 1.889 179.419 177.584 -0.089 0.000 1.181 4825 A CA 1.965 54.010 52.037 0.014 0.000 0.623 4825 A CB -0.977 18.064 19.000 0.069 0.000 0.818 4825 A HN 0.457 nan 8.150 nan 0.000 0.443 4826 D N 0.020 120.385 120.400 -0.058 0.000 2.219 4826 D HA 0.025 4.665 4.640 -0.001 0.000 0.205 4826 D C 2.115 178.348 176.300 -0.113 0.000 0.970 4826 D CA 1.189 55.148 54.000 -0.067 0.000 0.851 4826 D CB -0.349 40.435 40.800 -0.027 0.000 0.943 4826 D HN 0.426 nan 8.370 nan 0.000 0.488 4827 A N 0.619 123.335 122.820 -0.172 0.000 2.024 4827 A HA -0.129 4.191 4.320 -0.001 0.000 0.220 4827 A C 2.244 179.695 177.584 -0.220 0.000 1.164 4827 A CA 0.765 52.673 52.037 -0.215 0.000 0.643 4827 A CB -0.713 18.087 19.000 -0.333 0.000 0.806 4827 A HN 0.244 nan 8.150 nan 0.000 0.451 4828 L N -0.359 120.718 121.223 -0.243 0.000 2.265 4828 L HA -0.140 4.199 4.340 -0.001 0.000 0.215 4828 L C 2.014 178.799 176.870 -0.142 0.000 1.117 4828 L CA 0.770 55.488 54.840 -0.202 0.000 0.782 4828 L CB -0.452 41.490 42.059 -0.195 0.000 0.914 4828 L HN 0.325 nan 8.230 nan 0.000 0.441 4829 E N -0.322 119.804 120.200 -0.123 0.000 2.409 4829 E HA -0.141 4.209 4.350 -0.001 0.000 0.198 4829 E C 2.181 178.731 176.600 -0.084 0.000 1.024 4829 E CA 0.607 56.949 56.400 -0.095 0.000 0.861 4829 E CB -0.191 29.461 29.700 -0.080 0.000 0.788 4829 E HN 0.305 nan 8.360 nan 0.000 0.521 4830 V N 0.864 120.723 119.914 -0.092 0.000 2.759 4830 V HA -0.187 3.933 4.120 -0.001 0.000 0.256 4830 V C 1.780 177.830 176.094 -0.073 0.000 1.080 4830 V CA 0.910 63.162 62.300 -0.079 0.000 1.101 4830 V CB -0.164 31.608 31.823 -0.084 0.000 0.698 4830 V HN 0.127 nan 8.190 nan 0.000 0.477 4831 I N 0.491 121.013 120.570 -0.080 0.000 2.296 4831 I HA 0.018 4.188 4.170 -0.001 0.000 0.242 4831 I C 0.128 176.207 176.117 -0.063 0.000 1.087 4831 I CA 1.180 62.438 61.300 -0.071 0.000 1.393 4831 I CB -2.734 35.222 38.000 -0.074 0.000 1.093 4831 I HN 0.307 nan 8.210 nan 0.000 0.421 4832 P HA -0.162 nan 4.420 nan 0.000 0.216 4832 P C 1.826 179.094 177.300 -0.053 0.000 1.150 4832 P CA 1.425 64.490 63.100 -0.058 0.000 0.843 4832 P CB -0.094 31.567 31.700 -0.065 0.000 0.787 4833 R N -0.628 119.839 120.500 -0.055 0.000 2.052 4833 R HA -0.013 4.327 4.340 -0.001 0.000 0.226 4833 R C 1.931 178.202 176.300 -0.048 0.000 1.145 4833 R CA 1.992 58.063 56.100 -0.049 0.000 0.952 4833 R CB -1.290 28.981 30.300 -0.049 0.000 0.847 4833 R HN 0.057 nan 8.270 nan 0.000 0.431 4834 T N 2.607 117.130 114.554 -0.051 0.000 2.833 4834 T HA -0.137 4.213 4.350 -0.001 0.000 0.269 4834 T C 1.723 176.391 174.700 -0.054 0.000 1.054 4834 T CA 1.135 63.205 62.100 -0.050 0.000 1.135 4834 T CB -0.218 68.620 68.868 -0.051 0.000 0.869 4834 T HN 0.113 nan 8.240 nan 0.000 0.466 4835 L N 1.609 122.798 121.223 -0.057 0.000 1.994 4835 L HA 0.076 4.416 4.340 -0.001 0.000 0.208 4835 L C 2.618 179.447 176.870 -0.068 0.000 1.071 4835 L CA 2.044 56.846 54.840 -0.065 0.000 0.745 4835 L CB -1.064 40.959 42.059 -0.061 0.000 0.892 4835 L HN 0.206 nan 8.230 nan 0.000 0.431 4836 A N -1.176 121.609 122.820 -0.057 0.000 2.019 4836 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 4836 A C 2.210 179.764 177.584 -0.050 0.000 1.164 4836 A CA 1.649 53.655 52.037 -0.053 0.000 0.644 4836 A CB -0.632 18.343 19.000 -0.042 0.000 0.805 4836 A HN 0.574 nan 8.150 nan 0.000 0.449 4837 E N 0.579 120.751 120.200 -0.048 0.000 2.072 4837 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 4837 E C 1.705 178.276 176.600 -0.047 0.000 0.985 4837 E CA 1.447 57.821 56.400 -0.043 0.000 0.801 4837 E CB -0.162 29.514 29.700 -0.041 0.000 0.750 4837 E HN 0.548 nan 8.360 nan 0.000 0.452 4838 N N -0.053 118.614 118.700 -0.055 0.000 2.309 4838 N HA -0.090 4.649 4.740 -0.001 0.000 0.182 4838 N C 1.272 176.740 175.510 -0.071 0.000 1.018 4838 N CA 1.140 54.154 53.050 -0.061 0.000 0.876 4838 N CB -0.252 38.195 38.487 -0.067 0.000 0.972 4838 N HN 0.246 nan 8.380 nan 0.000 0.434 4839 A N -0.076 122.697 122.820 -0.079 0.000 2.119 4839 A HA 0.314 4.634 4.320 -0.001 0.000 0.216 4839 A C 1.482 179.030 177.584 -0.060 0.000 1.152 4839 A CA 1.035 53.020 52.037 -0.086 0.000 0.708 4839 A CB -0.397 18.546 19.000 -0.096 0.000 0.805 4839 A HN 0.309 nan 8.150 nan 0.000 0.460 4840 G N -1.279 107.492 108.800 -0.048 0.000 2.149 4840 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.235 4840 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.235 4840 G C -0.032 174.850 174.900 -0.030 0.000 1.018 4840 G CA 0.341 45.420 45.100 -0.036 0.000 0.728 4840 G HN 0.443 nan 8.290 nan 0.000 0.508 4841 L N -0.212 120.992 121.223 -0.033 0.000 2.387 4841 L HA 0.504 4.843 4.340 -0.001 0.000 0.266 4841 L C 0.540 177.395 176.870 -0.024 0.000 1.059 4841 L CA -1.115 53.709 54.840 -0.027 0.000 0.801 4841 L CB 0.780 42.822 42.059 -0.029 0.000 1.223 4841 L HN 0.100 nan 8.230 nan 0.000 0.456 4842 D N 0.802 121.190 120.400 -0.019 0.000 2.363 4842 D HA 0.085 4.725 4.640 -0.001 0.000 0.263 4842 D C 0.748 177.036 176.300 -0.021 0.000 1.258 4842 D CA 0.171 54.161 54.000 -0.018 0.000 0.907 4842 D CB 1.741 42.533 40.800 -0.014 0.000 1.107 4842 D HN 0.629 nan 8.370 nan 0.000 0.495 4843 A N 5.317 128.123 122.820 -0.023 0.000 1.940 4843 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 4843 A C 2.071 179.641 177.584 -0.024 0.000 1.176 4843 A CA 0.945 52.966 52.037 -0.026 0.000 0.631 4843 A CB -0.179 18.805 19.000 -0.027 0.000 0.814 4843 A HN 0.698 nan 8.150 nan 0.000 0.446 4844 I N -0.711 119.847 120.570 -0.020 0.000 2.296 4844 I HA -0.119 4.050 4.170 -0.001 0.000 0.242 4844 I C 2.436 178.544 176.117 -0.015 0.000 1.087 4844 I CA 1.583 62.873 61.300 -0.018 0.000 1.393 4844 I CB -1.525 36.466 38.000 -0.015 0.000 1.093 4844 I HN 0.562 nan 8.210 nan 0.000 0.421 4845 E N 1.256 121.448 120.200 -0.013 0.000 2.077 4845 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 4845 E C 2.326 178.920 176.600 -0.010 0.000 0.989 4845 E CA 1.161 57.555 56.400 -0.010 0.000 0.800 4845 E CB 0.178 29.873 29.700 -0.008 0.000 0.746 4845 E HN 0.209 nan 8.360 nan 0.000 0.452 4846 I N 0.875 121.437 120.570 -0.013 0.000 2.127 4846 I HA -0.273 3.897 4.170 -0.001 0.000 0.241 4846 I C 2.415 178.524 176.117 -0.014 0.000 1.075 4846 I CA 1.012 62.304 61.300 -0.013 0.000 1.334 4846 I CB -0.982 37.007 38.000 -0.019 0.000 1.040 4846 I HN 0.275 nan 8.210 nan 0.000 0.405 4847 L N 0.010 121.221 121.223 -0.020 0.000 2.131 4847 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 4847 L C 2.541 179.400 176.870 -0.019 0.000 1.092 4847 L CA 1.255 56.079 54.840 -0.025 0.000 0.759 4847 L CB -0.953 41.088 42.059 -0.031 0.000 0.903 4847 L HN 0.004 nan 8.230 nan 0.000 0.435 4848 V N -1.155 118.751 119.914 -0.013 0.000 2.323 4848 V HA -0.237 3.883 4.120 -0.001 0.000 0.244 4848 V C 2.487 178.582 176.094 0.001 0.000 1.041 4848 V CA 1.377 63.673 62.300 -0.006 0.000 1.025 4848 V CB -0.391 31.429 31.823 -0.005 0.000 0.656 4848 V HN 0.300 nan 8.190 nan 0.000 0.451 4849 K N -0.184 120.216 120.400 0.001 0.000 2.155 4849 K HA -0.030 4.290 4.320 -0.001 0.000 0.203 4849 K C 1.864 178.473 176.600 0.015 0.000 1.052 4849 K CA 0.853 57.145 56.287 0.007 0.000 0.948 4849 K CB -0.439 32.064 32.500 0.005 0.000 0.728 4849 K HN 0.313 nan 8.250 nan 0.000 0.448 4850 V N 0.506 120.428 119.914 0.012 0.000 2.346 4850 V HA -0.156 3.963 4.120 -0.001 0.000 0.244 4850 V C 2.064 178.184 176.094 0.043 0.000 1.037 4850 V CA 1.530 63.844 62.300 0.023 0.000 1.029 4850 V CB -0.296 31.528 31.823 0.002 0.000 0.663 4850 V HN 0.224 nan 8.190 nan 0.000 0.454 4851 R N 0.153 120.663 120.500 0.017 0.000 2.115 4851 R HA -0.055 4.285 4.340 -0.001 0.000 0.230 4851 R C 2.390 178.727 176.300 0.061 0.000 1.111 4851 R CA 1.323 57.438 56.100 0.024 0.000 0.976 4851 R CB -0.491 29.801 30.300 -0.012 0.000 0.870 4851 R HN 0.534 nan 8.270 nan 0.000 0.445 4852 A N 1.274 124.117 122.820 0.039 0.000 1.873 4852 A HA -0.064 4.255 4.320 -0.001 0.000 0.215 4852 A C 2.364 179.972 177.584 0.040 0.000 1.186 4852 A CA 1.552 53.609 52.037 0.034 0.000 0.616 4852 A CB -0.611 18.401 19.000 0.019 0.000 0.823 4852 A HN 0.365 nan 8.150 nan 0.000 0.442 4853 A N -1.069 121.777 122.820 0.045 0.000 1.933 4853 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 4853 A C 2.006 179.616 177.584 0.044 0.000 1.175 4853 A CA 2.072 54.132 52.037 0.037 0.000 0.628 4853 A CB -0.856 18.166 19.000 0.036 0.000 0.814 4853 A HN 0.781 nan 8.150 nan 0.000 0.444 4854 H N -0.210 118.856 119.070 -0.007 0.000 2.326 4854 H HA 0.055 4.610 4.556 -0.001 0.000 0.301 4854 H C 2.216 177.540 175.328 -0.008 0.000 1.081 4854 H CA 1.969 58.012 56.048 -0.008 0.000 1.334 4854 H CB -0.198 29.557 29.762 -0.012 0.000 1.385 4854 H HN 0.388 nan 8.280 nan 0.000 0.504 4855 A N -0.638 122.244 122.820 0.104 0.000 1.908 4855 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 4855 A C 2.568 180.141 177.584 -0.019 0.000 1.181 4855 A CA 2.060 54.129 52.037 0.053 0.000 0.627 4855 A CB -1.064 17.974 19.000 0.063 0.000 0.818 4855 A HN 0.515 nan 8.150 nan 0.000 0.445 4856 S N -0.640 115.048 115.700 -0.019 0.000 2.341 4856 S HA -0.081 4.388 4.470 -0.001 0.000 0.216 4856 S C 1.875 176.446 174.600 -0.048 0.000 1.034 4856 S CA 1.060 59.245 58.200 -0.025 0.000 0.964 4856 S CB -0.397 62.797 63.200 -0.011 0.000 0.882 4856 S HN 0.596 nan 8.310 nan 0.000 0.469 4857 N N 1.085 119.750 118.700 -0.058 0.000 2.354 4857 N HA 0.231 4.971 4.740 -0.001 0.000 0.179 4857 N C 1.063 176.507 175.510 -0.109 0.000 1.021 4857 N CA 1.017 54.028 53.050 -0.065 0.000 0.887 4857 N CB -0.125 38.335 38.487 -0.044 0.000 0.974 4857 N HN 0.623 nan 8.380 nan 0.000 0.437 4858 G N 0.673 109.349 108.800 -0.206 0.000 2.498 4858 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.651 4858 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.651 4858 G C 0.145 174.785 174.900 -0.433 0.000 1.284 4858 G CA 0.043 44.960 45.100 -0.304 0.000 0.950 4858 G HN 0.349 nan 8.290 nan 0.000 0.511 4859 N N -0.308 118.191 118.700 -0.335 0.000 2.446 4859 N HA 0.004 4.743 4.740 -0.001 0.000 0.179 4859 N C 1.592 177.099 175.510 -0.006 0.000 1.054 4859 N CA 1.608 54.598 53.050 -0.101 0.000 0.905 4859 N CB -0.076 38.455 38.487 0.073 0.000 0.973 4859 N HN 0.883 nan 8.380 nan 0.000 0.448 4860 K N -1.000 119.378 120.400 -0.037 0.000 2.404 4860 K HA 0.265 4.585 4.320 -0.001 0.000 0.194 4860 K C -0.320 176.272 176.600 -0.013 0.000 1.023 4860 K CA -0.013 56.267 56.287 -0.012 0.000 1.094 4860 K CB 0.079 32.570 32.500 -0.015 0.000 0.841 4860 K HN 0.118 nan 8.250 nan 0.000 0.523 4861 C N 1.522 120.806 119.300 -0.027 0.000 3.114 4861 C HA 0.689 5.148 4.460 -0.001 0.000 0.215 4861 C C 0.142 175.132 174.990 -0.001 0.000 1.759 4861 C CA -0.706 58.301 59.018 -0.017 0.000 1.455 4861 C CB -0.571 27.148 27.740 -0.035 0.000 2.528 4861 C HN 0.598 nan 8.230 nan 0.000 0.511 4862 A N 0.077 122.917 122.820 0.034 0.000 2.593 4862 A HA 1.004 5.324 4.320 -0.001 0.000 0.304 4862 A C -0.076 177.553 177.584 0.075 0.000 1.233 4862 A CA 0.223 52.307 52.037 0.079 0.000 0.661 4862 A CB 0.341 19.451 19.000 0.183 0.000 1.338 4862 A HN 1.915 nan 8.150 nan 0.000 0.495 4863 G N -2.106 106.740 108.800 0.077 0.000 2.699 4863 G HA2 0.414 4.373 3.960 -0.001 0.000 0.686 4863 G HA3 0.414 4.373 3.960 -0.001 0.000 0.686 4863 G C -0.983 173.940 174.900 0.038 0.000 1.301 4863 G CA -0.096 45.033 45.100 0.048 0.000 0.816 4863 G HN 2.063 nan 8.290 nan 0.000 0.595 4864 L N 0.537 121.776 121.223 0.026 0.000 2.289 4864 L HA 0.773 5.113 4.340 -0.001 0.000 0.285 4864 L C 0.181 177.075 176.870 0.039 0.000 1.049 4864 L CA -1.028 53.825 54.840 0.021 0.000 0.804 4864 L CB 1.603 43.661 42.059 -0.002 0.000 1.195 4864 L HN 0.721 nan 8.230 nan 0.000 0.428 4865 N N 2.996 121.728 118.700 0.054 0.000 2.527 4865 N HA 0.212 4.951 4.740 -0.001 0.000 0.236 4865 N C 0.767 176.315 175.510 0.064 0.000 0.999 4865 N CA -0.221 52.892 53.050 0.105 0.000 0.935 4865 N CB 1.055 39.616 38.487 0.124 0.000 1.132 4865 N HN 0.525 nan 8.380 nan 0.000 0.511 4866 V N 1.325 121.230 119.914 -0.014 0.000 2.970 4866 V HA 0.022 4.141 4.120 -0.001 0.000 0.260 4866 V C 1.345 177.340 176.094 -0.164 0.000 1.100 4866 V CA 1.123 63.342 62.300 -0.134 0.000 1.122 4866 V CB -1.155 30.517 31.823 -0.251 0.000 0.721 4866 V HN 0.398 nan 8.190 nan 0.000 0.483 4867 F N 2.702 122.650 119.950 -0.004 0.000 2.234 4867 F HA -0.020 4.506 4.527 -0.001 0.000 0.299 4867 F C 2.595 178.393 175.800 -0.003 0.000 1.087 4867 F CA 1.870 59.868 58.000 -0.003 0.000 1.340 4867 F CB -0.570 38.429 39.000 -0.002 0.000 1.031 4867 F HN 0.425 nan 8.300 nan 0.000 0.500 4868 T N -4.559 110.095 114.554 0.167 0.000 2.985 4868 T HA 0.415 4.765 4.350 -0.001 0.000 0.254 4868 T C 1.428 176.155 174.700 0.046 0.000 1.021 4868 T CA 0.369 62.523 62.100 0.089 0.000 0.957 4868 T CB 0.346 69.259 68.868 0.075 0.000 1.047 4868 T HN 0.344 nan 8.240 nan 0.000 0.511 4869 G N 1.169 109.989 108.800 0.032 0.000 2.291 4869 G HA2 0.289 4.248 3.960 -0.001 0.000 0.271 4869 G HA3 0.289 4.248 3.960 -0.001 0.000 0.271 4869 G C 0.025 174.931 174.900 0.010 0.000 1.099 4869 G CA -0.220 44.883 45.100 0.005 0.000 0.919 4869 G HN 1.401 nan 8.290 nan 0.000 0.496 4870 A N -1.349 121.483 122.820 0.019 0.000 2.604 4870 A HA 0.883 5.203 4.320 -0.001 0.000 0.295 4870 A C 0.027 177.625 177.584 0.023 0.000 1.067 4870 A CA 0.096 52.144 52.037 0.018 0.000 0.683 4870 A CB 1.673 20.686 19.000 0.021 0.000 1.281 4870 A HN 1.783 nan 8.150 nan 0.000 0.407 4871 V N 1.865 121.790 119.914 0.019 0.000 2.599 4871 V HA 0.428 4.547 4.120 -0.001 0.000 0.300 4871 V C -0.223 175.887 176.094 0.027 0.000 1.034 4871 V CA 0.861 63.175 62.300 0.023 0.000 1.115 4871 V CB 0.538 32.374 31.823 0.021 0.000 0.934 4871 V HN 0.872 nan 8.190 nan 0.000 0.485 4872 E N 3.679 123.899 120.200 0.033 0.000 2.458 4872 E HA 0.315 4.665 4.350 -0.001 0.000 0.278 4872 E C -1.423 175.196 176.600 0.031 0.000 1.004 4872 E CA -0.716 55.703 56.400 0.032 0.000 0.823 4872 E CB 1.472 31.196 29.700 0.039 0.000 1.396 4872 E HN 0.715 nan 8.360 nan 0.000 0.463 4873 D N 1.925 122.339 120.400 0.024 0.000 2.393 4873 D HA 0.098 4.738 4.640 -0.001 0.000 0.232 4873 D C 0.929 177.243 176.300 0.023 0.000 1.192 4873 D CA -0.153 53.859 54.000 0.020 0.000 0.882 4873 D CB 0.541 41.347 40.800 0.010 0.000 1.038 4873 D HN 0.214 nan 8.370 nan 0.000 0.499 4874 M N 2.186 121.805 119.600 0.031 0.000 2.159 4874 M HA -0.145 4.335 4.480 -0.001 0.000 0.263 4874 M C 2.347 178.660 176.300 0.023 0.000 1.063 4874 M CA 0.642 55.962 55.300 0.034 0.000 1.110 4874 M CB -1.182 31.444 32.600 0.042 0.000 1.374 4874 M HN 0.535 nan 8.290 nan 0.000 0.411 4875 C N 0.709 120.021 119.300 0.019 0.000 2.453 4875 C HA -0.164 4.296 4.460 -0.001 0.000 0.277 4875 C C 2.688 177.681 174.990 0.005 0.000 1.262 4875 C CA 1.356 60.381 59.018 0.012 0.000 1.718 4875 C CB -0.915 26.832 27.740 0.010 0.000 2.031 4875 C HN 0.638 nan 8.230 nan 0.000 0.480 4876 E N 0.160 120.363 120.200 0.004 0.000 2.118 4876 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 4876 E C 1.392 177.990 176.600 -0.004 0.000 0.992 4876 E CA 1.351 57.751 56.400 -0.000 0.000 0.804 4876 E CB -0.208 29.492 29.700 0.000 0.000 0.741 4876 E HN 0.661 nan 8.360 nan 0.000 0.458 4877 N N -0.417 118.281 118.700 -0.002 0.000 2.461 4877 N HA -0.005 4.735 4.740 -0.001 0.000 0.188 4877 N C 0.770 176.269 175.510 -0.020 0.000 1.134 4877 N CA 0.936 53.978 53.050 -0.013 0.000 0.878 4877 N CB 0.906 39.389 38.487 -0.007 0.000 0.972 4877 N HN 0.343 nan 8.380 nan 0.000 0.456 4878 G N 0.459 109.253 108.800 -0.010 0.000 2.147 4878 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.244 4878 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.244 4878 G C -0.001 174.896 174.900 -0.004 0.000 1.005 4878 G CA 0.048 45.142 45.100 -0.010 0.000 0.713 4878 G HN 0.197 nan 8.290 nan 0.000 0.515 4879 V N 1.479 121.397 119.914 0.007 0.000 2.222 4879 V HA 0.503 4.623 4.120 -0.001 0.000 0.253 4879 V C 0.829 176.939 176.094 0.026 0.000 1.210 4879 V CA 0.158 62.473 62.300 0.024 0.000 1.079 4879 V CB 0.408 32.259 31.823 0.047 0.000 1.265 4879 V HN 1.048 nan 8.190 nan 0.000 0.494 4880 V N 1.923 121.849 119.914 0.020 0.000 3.130 4880 V HA 0.939 5.058 4.120 -0.001 0.000 0.310 4880 V C -0.760 175.344 176.094 0.018 0.000 1.158 4880 V CA -0.909 61.402 62.300 0.019 0.000 1.029 4880 V CB 2.437 34.269 31.823 0.014 0.000 1.057 4880 V HN 0.776 nan 8.190 nan 0.000 0.436 4881 E N 0.954 121.164 120.200 0.017 0.000 2.390 4881 E HA 0.658 5.007 4.350 -0.001 0.000 0.277 4881 E C -3.278 173.330 176.600 0.013 0.000 0.939 4881 E CA -2.369 54.040 56.400 0.015 0.000 0.769 4881 E CB 2.337 32.047 29.700 0.015 0.000 1.251 4881 E HN 0.453 nan 8.360 nan 0.000 0.450 4882 P HA -0.046 nan 4.420 nan 0.000 0.266 4882 P C 0.519 177.826 177.300 0.013 0.000 1.195 4882 P CA -0.340 62.767 63.100 0.012 0.000 0.768 4882 P CB 0.507 32.213 31.700 0.010 0.000 0.838 4883 L N 4.470 125.702 121.223 0.014 0.000 2.012 4883 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 4883 L C 2.418 179.297 176.870 0.016 0.000 1.073 4883 L CA 1.865 56.715 54.840 0.016 0.000 0.748 4883 L CB -0.835 41.235 42.059 0.017 0.000 0.891 4883 L HN 0.311 nan 8.230 nan 0.000 0.431 4884 R N -0.968 119.541 120.500 0.014 0.000 2.133 4884 R HA -0.187 4.153 4.340 -0.001 0.000 0.247 4884 R C 2.030 178.337 176.300 0.012 0.000 1.151 4884 R CA 2.132 58.240 56.100 0.013 0.000 0.971 4884 R CB -0.405 29.902 30.300 0.012 0.000 0.866 4884 R HN 0.395 nan 8.270 nan 0.000 0.447 4885 V N 1.044 120.964 119.914 0.011 0.000 2.295 4885 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 4885 V C 2.333 178.431 176.094 0.007 0.000 1.049 4885 V CA 2.084 64.389 62.300 0.008 0.000 1.024 4885 V CB -0.483 31.345 31.823 0.008 0.000 0.648 4885 V HN 0.283 nan 8.190 nan 0.000 0.447 4886 K N 0.790 121.196 120.400 0.009 0.000 2.103 4886 K HA -0.123 4.196 4.320 -0.001 0.000 0.204 4886 K C 2.224 178.832 176.600 0.014 0.000 1.052 4886 K CA 1.931 58.223 56.287 0.008 0.000 0.945 4886 K CB -0.669 31.838 32.500 0.011 0.000 0.722 4886 K HN 0.678 nan 8.250 nan 0.000 0.443 4887 T N -2.127 112.439 114.554 0.019 0.000 2.942 4887 T HA -0.072 4.277 4.350 -0.001 0.000 0.265 4887 T C 1.875 176.591 174.700 0.026 0.000 1.062 4887 T CA 0.818 62.934 62.100 0.027 0.000 1.139 4887 T CB -0.154 68.731 68.868 0.027 0.000 0.883 4887 T HN 0.104 nan 8.240 nan 0.000 0.468 4888 Q N 1.902 121.713 119.800 0.019 0.000 2.123 4888 Q HA 0.258 4.598 4.340 -0.001 0.000 0.199 4888 Q C 2.417 178.427 176.000 0.015 0.000 0.966 4888 Q CA 1.726 57.540 55.803 0.017 0.000 0.845 4888 Q CB -0.996 27.750 28.738 0.013 0.000 0.907 4888 Q HN 0.627 nan 8.270 nan 0.000 0.439 4889 A N 0.577 123.402 122.820 0.009 0.000 1.908 4889 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 4889 A C 1.946 179.532 177.584 0.003 0.000 1.181 4889 A CA 1.645 53.681 52.037 -0.001 0.000 0.627 4889 A CB -0.720 18.273 19.000 -0.012 0.000 0.818 4889 A HN 0.453 nan 8.150 nan 0.000 0.445 4890 I N -0.472 120.110 120.570 0.019 0.000 2.202 4890 I HA -0.206 3.963 4.170 -0.001 0.000 0.242 4890 I C 2.646 178.806 176.117 0.072 0.000 1.091 4890 I CA 1.937 63.267 61.300 0.051 0.000 1.368 4890 I CB -1.434 36.615 38.000 0.082 0.000 1.058 4890 I HN 0.470 nan 8.210 nan 0.000 0.410 4891 Q N 1.262 121.095 119.800 0.055 0.000 2.030 4891 Q HA -0.161 4.179 4.340 -0.001 0.000 0.204 4891 Q C 2.412 178.441 176.000 0.048 0.000 0.986 4891 Q CA 2.591 58.425 55.803 0.052 0.000 0.843 4891 Q CB -0.300 28.460 28.738 0.037 0.000 0.904 4891 Q HN 0.344 nan 8.270 nan 0.000 0.420 4892 S N 0.013 115.733 115.700 0.034 0.000 2.368 4892 S HA -0.096 4.373 4.470 -0.001 0.000 0.225 4892 S C 1.901 176.520 174.600 0.031 0.000 1.030 4892 S CA 0.970 59.187 58.200 0.028 0.000 0.999 4892 S CB -0.630 62.581 63.200 0.017 0.000 0.844 4892 S HN 0.595 nan 8.310 nan 0.000 0.459 4893 A N 1.570 124.405 122.820 0.025 0.000 1.877 4893 A HA 0.126 4.446 4.320 -0.001 0.000 0.216 4893 A C 2.353 179.969 177.584 0.053 0.000 1.186 4893 A CA 1.710 53.757 52.037 0.016 0.000 0.620 4893 A CB -1.110 17.876 19.000 -0.025 0.000 0.822 4893 A HN 0.508 nan 8.150 nan 0.000 0.443 4894 A N 0.736 123.614 122.820 0.097 0.000 1.898 4894 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 4894 A C 1.996 179.660 177.584 0.133 0.000 1.181 4894 A CA 1.740 53.878 52.037 0.168 0.000 0.620 4894 A CB -0.640 18.484 19.000 0.206 0.000 0.819 4894 A HN 0.786 nan 8.150 nan 0.000 0.442 4895 E N 0.285 120.540 120.200 0.091 0.000 2.208 4895 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 4895 E C 1.819 178.458 176.600 0.065 0.000 0.988 4895 E CA 1.396 57.839 56.400 0.072 0.000 0.828 4895 E CB -0.344 29.387 29.700 0.052 0.000 0.763 4895 E HN 0.634 nan 8.360 nan 0.000 0.478 4896 S N 0.287 116.024 115.700 0.061 0.000 2.446 4896 S HA -0.038 4.432 4.470 -0.001 0.000 0.225 4896 S C 2.005 176.642 174.600 0.063 0.000 1.016 4896 S CA 0.947 59.177 58.200 0.050 0.000 0.943 4896 S CB -0.276 62.945 63.200 0.035 0.000 0.786 4896 S HN 0.205 nan 8.310 nan 0.000 0.508 4897 T N 2.294 116.901 114.554 0.089 0.000 2.737 4897 T HA -0.044 4.306 4.350 -0.001 0.000 0.265 4897 T C 1.737 176.519 174.700 0.136 0.000 1.038 4897 T CA 1.572 63.748 62.100 0.128 0.000 1.144 4897 T CB -0.385 68.601 68.868 0.196 0.000 0.866 4897 T HN 0.660 nan 8.240 nan 0.000 0.434 4898 E N 0.718 121.000 120.200 0.137 0.000 2.110 4898 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 4898 E C 2.231 178.869 176.600 0.063 0.000 0.988 4898 E CA 0.853 57.312 56.400 0.099 0.000 0.804 4898 E CB -0.211 29.545 29.700 0.092 0.000 0.745 4898 E HN 0.451 nan 8.360 nan 0.000 0.458 4899 M N 0.686 120.321 119.600 0.059 0.000 2.073 4899 M HA -0.234 4.245 4.480 -0.001 0.000 0.258 4899 M C 2.359 178.683 176.300 0.040 0.000 1.070 4899 M CA 1.599 56.925 55.300 0.044 0.000 1.103 4899 M CB -0.201 32.423 32.600 0.041 0.000 1.321 4899 M HN 0.338 nan 8.290 nan 0.000 0.405 4900 L N 0.526 121.776 121.223 0.045 0.000 2.012 4900 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 4900 L C 2.248 179.137 176.870 0.031 0.000 1.073 4900 L CA 1.450 56.313 54.840 0.038 0.000 0.748 4900 L CB -0.323 41.759 42.059 0.038 0.000 0.891 4900 L HN 0.419 nan 8.230 nan 0.000 0.431 4901 L N -0.685 120.559 121.223 0.034 0.000 2.131 4901 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 4901 L C 2.684 179.560 176.870 0.011 0.000 1.092 4901 L CA 1.128 55.977 54.840 0.015 0.000 0.759 4901 L CB -0.468 41.599 42.059 0.013 0.000 0.903 4901 L HN 0.246 nan 8.230 nan 0.000 0.435 4902 R N -0.202 120.311 120.500 0.022 0.000 2.189 4902 R HA 0.061 4.401 4.340 -0.001 0.000 0.218 4902 R C 0.434 176.746 176.300 0.019 0.000 1.074 4902 R CA 0.526 56.639 56.100 0.021 0.000 0.991 4902 R CB -0.071 30.244 30.300 0.025 0.000 0.883 4902 R HN 0.278 nan 8.270 nan 0.000 0.457 4903 I N 0.835 121.417 120.570 0.020 0.000 2.331 4903 I HA 0.040 4.209 4.170 -0.001 0.000 0.292 4903 I C 0.264 176.391 176.117 0.017 0.000 0.998 4903 I CA 0.023 61.336 61.300 0.021 0.000 1.267 4903 I CB 1.519 39.536 38.000 0.028 0.000 1.386 4903 I HN -0.117 nan 8.210 nan 0.000 0.476 4904 D N 3.377 123.786 120.400 0.016 0.000 2.539 4904 D HA 0.111 4.750 4.640 -0.001 0.000 0.232 4904 D C -0.799 175.512 176.300 0.019 0.000 1.256 4904 D CA 0.238 54.245 54.000 0.011 0.000 0.810 4904 D CB 0.513 41.314 40.800 0.002 0.000 1.090 4904 D HN 0.432 nan 8.370 nan 0.000 0.519 4905 D N 0.037 120.450 120.400 0.023 0.000 2.861 4905 D HA 0.199 4.838 4.640 -0.001 0.000 0.216 4905 D C -1.363 174.952 176.300 0.024 0.000 1.323 4905 D CA -0.403 53.611 54.000 0.024 0.000 0.917 4905 D CB 1.902 42.713 40.800 0.018 0.000 1.582 4905 D HN -0.263 nan 8.370 nan 0.000 0.576 4906 V N 5.178 125.109 119.914 0.028 0.000 2.347 4906 V HA 0.477 4.597 4.120 -0.001 0.000 0.280 4906 V C 0.409 176.510 176.094 0.010 0.000 1.021 4906 V CA -0.551 61.761 62.300 0.021 0.000 0.847 4906 V CB 1.275 33.115 31.823 0.028 0.000 0.990 4906 V HN 0.477 nan 8.190 nan 0.000 0.444 4907 I N 4.913 125.485 120.570 0.003 0.000 2.371 4907 I HA 0.646 4.815 4.170 -0.001 0.000 0.282 4907 I C 0.396 176.507 176.117 -0.009 0.000 1.031 4907 I CA -0.210 61.090 61.300 -0.001 0.000 1.180 4907 I CB 1.294 39.294 38.000 0.001 0.000 1.336 4907 I HN 0.657 nan 8.210 nan 0.000 0.467 4908 A N 4.867 127.679 122.820 -0.015 0.000 2.337 4908 A HA 0.890 5.210 4.320 -0.001 0.000 0.329 4908 A C 0.106 177.680 177.584 -0.017 0.000 1.146 4908 A CA -0.499 51.524 52.037 -0.023 0.000 0.800 4908 A CB 1.204 20.181 19.000 -0.039 0.000 1.220 4908 A HN 0.718 nan 8.150 nan 0.000 0.472 4909 A N 1.769 124.579 122.820 -0.016 0.000 2.313 4909 A HA 0.548 4.867 4.320 -0.001 0.000 0.261 4909 A C 0.413 177.989 177.584 -0.014 0.000 1.090 4909 A CA -0.270 51.759 52.037 -0.013 0.000 0.807 4909 A CB -0.175 18.819 19.000 -0.010 0.000 1.055 4909 A HN 0.893 nan 8.150 nan 0.000 0.492 4910 E N 0.000 120.193 120.200 -0.011 0.000 2.725 4910 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 4910 E CA 0.000 56.394 56.400 -0.011 0.000 0.976 4910 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 4910 E HN 0.000 nan 8.360 nan 0.000 0.440