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 3izl_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 0.000 176.090 176.094 -0.006 0.000 1.182 4420 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 4420 V CB 0.000 31.820 31.823 -0.006 0.000 1.184 4421 L N 2.399 123.617 121.223 -0.008 0.000 2.325 4421 L HA 0.580 4.920 4.340 0.000 0.000 0.279 4421 L C -2.174 174.691 176.870 -0.008 0.000 1.054 4421 L CA -1.553 53.282 54.840 -0.008 0.000 0.804 4421 L CB 0.749 42.802 42.059 -0.010 0.000 1.200 4421 L HN 0.140 nan 8.230 nan 0.000 0.436 4422 P HA 0.020 nan 4.420 nan 0.000 0.266 4422 P C -0.534 176.760 177.300 -0.009 0.000 1.195 4422 P CA -0.255 62.841 63.100 -0.006 0.000 0.768 4422 P CB 0.459 32.156 31.700 -0.005 0.000 0.838 4423 E N 2.539 122.734 120.200 -0.009 0.000 2.376 4423 E HA -0.040 4.311 4.350 0.000 0.000 0.266 4423 E C 0.135 176.730 176.600 -0.009 0.000 1.009 4423 E CA 0.091 56.485 56.400 -0.010 0.000 0.902 4423 E CB 0.033 29.727 29.700 -0.009 0.000 0.972 4423 E HN 0.375 nan 8.360 nan 0.000 0.439 4424 N N 1.902 120.596 118.700 -0.010 0.000 2.990 4424 N HA -0.189 4.552 4.740 0.000 0.000 0.163 4424 N C -0.151 175.357 175.510 -0.004 0.000 1.452 4424 N CA 0.737 53.784 53.050 -0.006 0.000 1.624 4424 N CB -1.227 37.259 38.487 -0.002 0.000 1.088 4424 N HN 0.590 nan 8.380 nan 0.000 0.695 4425 M N 2.754 122.350 119.600 -0.007 0.000 2.249 4425 M HA 0.063 4.543 4.480 0.000 0.000 0.340 4425 M C 0.236 176.527 176.300 -0.015 0.000 1.166 4425 M CA 0.481 55.778 55.300 -0.006 0.000 1.115 4425 M CB 0.438 33.034 32.600 -0.007 0.000 1.606 4425 M HN 0.108 nan 8.290 nan 0.000 0.448 4426 K N 4.699 125.097 120.400 -0.003 0.000 2.259 4426 K HA 0.685 5.005 4.320 0.000 0.000 0.249 4426 K C -1.238 175.352 176.600 -0.017 0.000 0.942 4426 K CA -1.053 55.220 56.287 -0.023 0.000 0.816 4426 K CB 2.248 34.772 32.500 0.040 0.000 1.155 4426 K HN 0.788 nan 8.250 nan 0.000 0.428 4427 R N 2.259 122.684 120.500 -0.125 0.000 2.548 4427 R HA 0.316 4.656 4.340 0.000 0.000 0.280 4427 R C -1.813 174.338 176.300 -0.249 0.000 1.061 4427 R CA -0.599 55.455 56.100 -0.076 0.000 0.915 4427 R CB 1.327 31.592 30.300 -0.058 0.000 1.210 4427 R HN 0.744 nan 8.270 nan 0.000 0.442 4428 Y N 4.172 124.471 120.300 -0.001 0.000 2.485 4428 Y HA 0.595 5.146 4.550 0.000 0.000 0.345 4428 Y C 0.245 176.149 175.900 0.006 0.000 0.998 4428 Y CA -0.860 57.245 58.100 0.008 0.000 1.059 4428 Y CB 2.307 40.780 38.460 0.022 0.000 1.234 4428 Y HN 0.426 nan 8.280 nan 0.000 0.461 4429 M N 0.891 120.580 119.600 0.147 0.000 2.520 4429 M HA 0.755 5.235 4.480 0.000 0.000 0.280 4429 M C 0.019 176.359 176.300 0.065 0.000 1.232 4429 M CA -0.215 55.133 55.300 0.079 0.000 0.892 4429 M CB 1.273 33.894 32.600 0.036 0.000 1.728 4429 M HN 0.874 nan 8.290 nan 0.000 0.475 4430 G N 2.938 111.762 108.800 0.040 0.000 2.622 4430 G HA2 -0.368 3.592 3.960 0.000 0.000 0.307 4430 G HA3 -0.368 3.592 3.960 0.000 0.000 0.307 4430 G C 0.614 175.531 174.900 0.029 0.000 1.226 4430 G CA 1.197 46.309 45.100 0.021 0.000 0.997 4430 G HN 1.170 nan 8.290 nan 0.000 0.551 4431 R N 0.335 120.849 120.500 0.024 0.000 2.127 4431 R HA -0.080 4.260 4.340 0.000 0.000 0.238 4431 R C 2.126 178.453 176.300 0.046 0.000 1.134 4431 R CA 2.219 58.333 56.100 0.024 0.000 0.975 4431 R CB -0.391 29.919 30.300 0.017 0.000 0.865 4431 R HN 0.613 nan 8.270 nan 0.000 0.447 4432 D N -0.149 120.300 120.400 0.080 0.000 2.194 4432 D HA -0.063 4.577 4.640 0.000 0.000 0.204 4432 D C 1.669 178.056 176.300 0.145 0.000 0.964 4432 D CA 1.202 55.285 54.000 0.139 0.000 0.846 4432 D CB -0.024 40.905 40.800 0.215 0.000 0.962 4432 D HN 0.360 nan 8.370 nan 0.000 0.490 4433 A N 1.082 123.987 122.820 0.141 0.000 1.898 4433 A HA -0.172 4.149 4.320 0.000 0.000 0.216 4433 A C 2.143 179.755 177.584 0.047 0.000 1.181 4433 A CA 1.123 53.225 52.037 0.108 0.000 0.620 4433 A CB -0.276 18.790 19.000 0.110 0.000 0.819 4433 A HN 0.062 nan 8.150 nan 0.000 0.442 4434 Q N -0.889 118.932 119.800 0.035 0.000 2.123 4434 Q HA -0.121 4.219 4.340 0.000 0.000 0.199 4434 Q C 2.242 178.239 176.000 -0.006 0.000 0.966 4434 Q CA 1.572 57.383 55.803 0.013 0.000 0.845 4434 Q CB -0.318 28.424 28.738 0.007 0.000 0.907 4434 Q HN 0.616 nan 8.270 nan 0.000 0.439 4435 R N 1.127 121.625 120.500 -0.004 0.000 2.066 4435 R HA -0.011 4.329 4.340 0.000 0.000 0.232 4435 R C 2.151 178.417 176.300 -0.058 0.000 1.131 4435 R CA 1.432 57.520 56.100 -0.020 0.000 0.955 4435 R CB -0.585 29.715 30.300 -0.001 0.000 0.851 4435 R HN 0.247 nan 8.270 nan 0.000 0.432 4436 M N 0.303 119.859 119.600 -0.073 0.000 2.080 4436 M HA -0.200 4.280 4.480 0.000 0.000 0.260 4436 M C 1.062 177.233 176.300 -0.216 0.000 1.068 4436 M CA 2.194 57.404 55.300 -0.150 0.000 1.109 4436 M CB -0.263 32.169 32.600 -0.280 0.000 1.342 4436 M HN 0.157 nan 8.290 nan 0.000 0.405 4437 N N 0.746 119.372 118.700 -0.123 0.000 2.120 4437 N HA -0.074 4.667 4.740 0.000 0.000 0.188 4437 N C 1.590 176.964 175.510 -0.227 0.000 1.024 4437 N CA 1.640 54.569 53.050 -0.203 0.000 0.852 4437 N CB -0.442 38.065 38.487 0.033 0.000 1.003 4437 N HN 0.441 nan 8.380 nan 0.000 0.424 4438 I N -0.073 120.424 120.570 -0.122 0.000 2.315 4438 I HA -0.184 3.986 4.170 0.000 0.000 0.248 4438 I C 1.987 178.034 176.117 -0.116 0.000 1.117 4438 I CA 0.439 61.685 61.300 -0.089 0.000 1.404 4438 I CB -0.103 37.871 38.000 -0.043 0.000 1.071 4438 I HN 0.111 nan 8.210 nan 0.000 0.419 4439 L N 1.291 122.430 121.223 -0.139 0.000 2.017 4439 L HA -0.150 4.191 4.340 0.000 0.000 0.208 4439 L C 2.583 179.352 176.870 -0.169 0.000 1.073 4439 L CA 2.165 56.927 54.840 -0.130 0.000 0.745 4439 L CB -0.794 41.195 42.059 -0.117 0.000 0.894 4439 L HN 0.179 nan 8.230 nan 0.000 0.432 4440 A N -0.506 122.136 122.820 -0.297 0.000 1.908 4440 A HA -0.100 4.220 4.320 0.000 0.000 0.218 4440 A C 2.339 179.808 177.584 -0.191 0.000 1.181 4440 A CA 1.680 53.523 52.037 -0.322 0.000 0.627 4440 A CB -1.627 16.923 19.000 -0.750 0.000 0.818 4440 A HN 0.541 nan 8.150 nan 0.000 0.445 4441 G N -0.718 107.975 108.800 -0.178 0.000 2.408 4441 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 4441 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 4441 G C 1.683 176.540 174.900 -0.072 0.000 1.150 4441 G CA 1.199 46.242 45.100 -0.096 0.000 0.776 4441 G HN 0.525 nan 8.290 nan 0.000 0.542 4442 R N 0.688 121.142 120.500 -0.077 0.000 2.081 4442 R HA 0.078 4.418 4.340 0.000 0.000 0.235 4442 R C 2.437 178.705 176.300 -0.053 0.000 1.131 4442 R CA 1.145 57.210 56.100 -0.058 0.000 0.960 4442 R CB -0.707 29.560 30.300 -0.055 0.000 0.856 4442 R HN 0.422 nan 8.270 nan 0.000 0.436 4443 I N 0.230 120.763 120.570 -0.062 0.000 2.208 4443 I HA -0.275 3.896 4.170 0.000 0.000 0.245 4443 I C 1.752 177.845 176.117 -0.040 0.000 1.097 4443 I CA 0.876 62.147 61.300 -0.049 0.000 1.363 4443 I CB -0.278 37.691 38.000 -0.052 0.000 1.051 4443 I HN 0.155 nan 8.210 nan 0.000 0.413 4444 I N 1.017 121.562 120.570 -0.043 0.000 2.226 4444 I HA -0.247 3.923 4.170 0.000 0.000 0.245 4444 I C 2.854 178.953 176.117 -0.030 0.000 1.100 4444 I CA 1.690 62.971 61.300 -0.032 0.000 1.374 4444 I CB -1.544 36.439 38.000 -0.029 0.000 1.057 4444 I HN 0.179 nan 8.210 nan 0.000 0.413 4445 A N 0.300 123.099 122.820 -0.034 0.000 1.933 4445 A HA -0.174 4.146 4.320 0.000 0.000 0.218 4445 A C 2.174 179.738 177.584 -0.033 0.000 1.175 4445 A CA 1.298 53.315 52.037 -0.034 0.000 0.628 4445 A CB -0.396 18.582 19.000 -0.037 0.000 0.814 4445 A HN 0.354 nan 8.150 nan 0.000 0.444 4446 E N -0.370 119.810 120.200 -0.033 0.000 2.106 4446 E HA -0.108 4.243 4.350 0.000 0.000 0.192 4446 E C 2.111 178.694 176.600 -0.027 0.000 0.984 4446 E CA 1.625 58.007 56.400 -0.030 0.000 0.806 4446 E CB -0.677 29.005 29.700 -0.030 0.000 0.750 4446 E HN 0.603 nan 8.360 nan 0.000 0.458 4447 T N 1.027 115.566 114.554 -0.026 0.000 2.777 4447 T HA -0.105 4.245 4.350 0.000 0.000 0.266 4447 T C 2.107 176.794 174.700 -0.022 0.000 1.040 4447 T CA 1.788 63.875 62.100 -0.022 0.000 1.141 4447 T CB -0.119 68.738 68.868 -0.019 0.000 0.868 4447 T HN 0.209 nan 8.240 nan 0.000 0.444 4448 V N 1.437 121.338 119.914 -0.023 0.000 2.992 4448 V HA 0.133 4.254 4.120 0.000 0.000 0.250 4448 V C 2.321 178.399 176.094 -0.026 0.000 1.090 4448 V CA 0.788 63.074 62.300 -0.022 0.000 1.101 4448 V CB -0.774 31.037 31.823 -0.020 0.000 0.743 4448 V HN 0.436 nan 8.190 nan 0.000 0.468 4449 R N 2.873 123.356 120.500 -0.030 0.000 2.249 4449 R HA -0.096 4.244 4.340 0.000 0.000 0.230 4449 R C 1.920 178.199 176.300 -0.035 0.000 1.121 4449 R CA 1.805 57.885 56.100 -0.034 0.000 0.997 4449 R CB -1.038 29.241 30.300 -0.037 0.000 0.867 4449 R HN 0.687 nan 8.270 nan 0.000 0.465 4450 S N -0.128 115.553 115.700 -0.032 0.000 2.603 4450 S HA -0.039 4.432 4.470 0.000 0.000 0.220 4450 S C 1.562 176.142 174.600 -0.033 0.000 0.967 4450 S CA 0.463 58.643 58.200 -0.033 0.000 0.920 4450 S CB 0.307 63.489 63.200 -0.029 0.000 0.773 4450 S HN 0.551 nan 8.310 nan 0.000 0.529 4451 T N -0.994 113.542 114.554 -0.031 0.000 3.022 4451 T HA 0.324 4.675 4.350 0.000 0.000 0.250 4451 T C 0.380 175.060 174.700 -0.033 0.000 1.060 4451 T CA -0.476 61.606 62.100 -0.029 0.000 1.013 4451 T CB -0.468 68.387 68.868 -0.021 0.000 0.982 4451 T HN 0.267 nan 8.240 nan 0.000 0.508 4452 L N 3.009 124.210 121.223 -0.037 0.000 2.534 4452 L HA 0.501 4.842 4.340 0.000 0.000 0.271 4452 L C 0.725 177.565 176.870 -0.051 0.000 1.178 4452 L CA 1.628 56.445 54.840 -0.039 0.000 0.907 4452 L CB -0.841 41.193 42.059 -0.042 0.000 1.164 4452 L HN 0.719 nan 8.230 nan 0.000 0.482 4453 G N 4.127 112.899 108.800 -0.047 0.000 2.663 4453 G HA2 -0.155 3.806 3.960 0.000 0.000 0.686 4453 G HA3 -0.155 3.806 3.960 0.000 0.000 0.686 4453 G C -2.003 172.850 174.900 -0.078 0.000 1.288 4453 G CA -0.463 44.597 45.100 -0.065 0.000 0.836 4453 G HN 0.484 nan 8.290 nan 0.000 0.584 4454 P HA -0.009 nan 4.420 nan 0.000 0.218 4454 P C 1.419 178.616 177.300 -0.172 0.000 1.148 4454 P CA 1.460 64.477 63.100 -0.139 0.000 0.822 4454 P CB 0.056 31.550 31.700 -0.342 0.000 0.784 4455 K N -0.684 119.589 120.400 -0.212 0.000 2.446 4455 K HA 0.256 4.577 4.320 0.000 0.000 0.203 4455 K C 0.911 177.452 176.600 -0.098 0.000 1.027 4455 K CA -0.207 55.981 56.287 -0.165 0.000 1.166 4455 K CB -0.350 32.031 32.500 -0.198 0.000 0.869 4455 K HN 0.032 nan 8.250 nan 0.000 0.504 4456 G N 0.405 109.158 108.800 -0.078 0.000 2.569 4456 G HA2 0.220 4.181 3.960 0.000 0.000 0.249 4456 G HA3 0.220 4.181 3.960 0.000 0.000 0.249 4456 G C -0.053 174.823 174.900 -0.040 0.000 1.216 4456 G CA -0.456 44.612 45.100 -0.053 0.000 0.845 4456 G HN -0.014 nan 8.290 nan 0.000 0.568 4457 M N 0.202 119.782 119.600 -0.034 0.000 2.649 4457 M HA 0.380 4.861 4.480 0.000 0.000 0.294 4457 M C -0.634 175.653 176.300 -0.022 0.000 1.206 4457 M CA -0.720 54.564 55.300 -0.027 0.000 0.928 4457 M CB 1.447 34.031 32.600 -0.027 0.000 1.571 4457 M HN 0.328 nan 8.290 nan 0.000 0.501 4458 D N 0.635 121.023 120.400 -0.020 0.000 2.181 4458 D HA 0.492 5.132 4.640 0.000 0.000 0.248 4458 D C -0.653 175.636 176.300 -0.019 0.000 1.020 4458 D CA -0.301 53.688 54.000 -0.018 0.000 0.891 4458 D CB 1.214 42.004 40.800 -0.017 0.000 1.187 4458 D HN 0.146 nan 8.370 nan 0.000 0.443 4459 K N 0.468 120.857 120.400 -0.017 0.000 2.166 4459 K HA 0.562 4.882 4.320 0.000 0.000 0.245 4459 K C -0.472 176.117 176.600 -0.018 0.000 0.967 4459 K CA -0.570 55.706 56.287 -0.017 0.000 0.863 4459 K CB 1.835 34.327 32.500 -0.015 0.000 1.107 4459 K HN 0.324 nan 8.250 nan 0.000 0.436 4460 M N 3.477 123.066 119.600 -0.019 0.000 2.190 4460 M HA 0.412 4.892 4.480 0.000 0.000 0.312 4460 M C -1.722 174.570 176.300 -0.014 0.000 0.990 4460 M CA -0.597 54.691 55.300 -0.020 0.000 0.927 4460 M CB 0.640 33.224 32.600 -0.026 0.000 1.571 4460 M HN 0.409 nan 8.290 nan 0.000 0.427 4461 L N 6.083 127.300 121.223 -0.010 0.000 2.298 4461 L HA 0.609 4.949 4.340 0.000 0.000 0.284 4461 L C -1.068 175.801 176.870 -0.002 0.000 1.013 4461 L CA -0.933 53.904 54.840 -0.005 0.000 0.824 4461 L CB 1.720 43.778 42.059 -0.002 0.000 1.221 4461 L HN 0.423 nan 8.230 nan 0.000 0.418 4462 V N 2.155 122.068 119.914 -0.002 0.000 2.384 4462 V HA 0.228 4.349 4.120 0.000 0.000 0.287 4462 V C -0.188 175.907 176.094 0.003 0.000 1.020 4462 V CA -0.817 61.484 62.300 0.000 0.000 0.850 4462 V CB 1.684 33.506 31.823 -0.002 0.000 0.987 4462 V HN 0.786 nan 8.190 nan 0.000 0.436 4463 D N 2.381 122.784 120.400 0.005 0.000 2.440 4463 D HA 0.102 4.742 4.640 0.000 0.000 0.269 4463 D C 0.564 176.867 176.300 0.005 0.000 1.249 4463 D CA -0.541 53.462 54.000 0.005 0.000 1.055 4463 D CB 0.611 41.416 40.800 0.007 0.000 1.104 4463 D HN 0.410 nan 8.370 nan 0.000 0.561 4464 D N -1.339 119.064 120.400 0.005 0.000 2.310 4464 D HA -0.015 4.625 4.640 0.000 0.000 0.212 4464 D C 1.390 177.693 176.300 0.005 0.000 0.965 4464 D CA 0.757 54.760 54.000 0.005 0.000 0.879 4464 D CB -0.059 40.744 40.800 0.005 0.000 0.921 4464 D HN 0.289 nan 8.370 nan 0.000 0.510 4465 L N -1.476 119.751 121.223 0.006 0.000 2.554 4465 L HA 0.291 4.631 4.340 0.000 0.000 0.225 4465 L C 1.631 178.506 176.870 0.008 0.000 1.104 4465 L CA 0.405 55.250 54.840 0.007 0.000 0.866 4465 L CB 0.265 42.329 42.059 0.008 0.000 1.047 4465 L HN 0.221 nan 8.230 nan 0.000 0.468 4466 G N -0.260 108.545 108.800 0.008 0.000 2.195 4466 G HA2 -0.250 3.711 3.960 0.000 0.000 0.224 4466 G HA3 -0.250 3.711 3.960 0.000 0.000 0.224 4466 G C 0.074 174.981 174.900 0.012 0.000 0.990 4466 G CA -0.033 45.072 45.100 0.008 0.000 0.639 4466 G HN 0.314 nan 8.290 nan 0.000 0.514 4467 D N 1.011 121.420 120.400 0.014 0.000 2.458 4467 D HA 0.378 5.018 4.640 0.000 0.000 0.243 4467 D C 0.481 176.792 176.300 0.019 0.000 1.146 4467 D CA 0.261 54.273 54.000 0.020 0.000 0.877 4467 D CB 1.190 42.001 40.800 0.019 0.000 1.176 4467 D HN 0.237 nan 8.370 nan 0.000 0.461 4468 V N 4.729 124.659 119.914 0.026 0.000 2.370 4468 V HA 0.289 4.409 4.120 0.000 0.000 0.283 4468 V C 0.112 176.221 176.094 0.024 0.000 1.023 4468 V CA -0.812 61.497 62.300 0.015 0.000 0.857 4468 V CB 1.647 33.470 31.823 0.000 0.000 0.985 4468 V HN 0.340 nan 8.190 nan 0.000 0.443 4469 V N 6.014 125.935 119.914 0.012 0.000 2.378 4469 V HA 0.446 4.566 4.120 0.000 0.000 0.288 4469 V C -0.210 175.883 176.094 -0.000 0.000 1.016 4469 V CA -0.545 61.765 62.300 0.016 0.000 0.840 4469 V CB 1.878 33.710 31.823 0.016 0.000 0.994 4469 V HN 0.601 nan 8.190 nan 0.000 0.431 4470 V N 4.516 124.429 119.914 -0.003 0.000 2.384 4470 V HA 0.788 4.908 4.120 0.000 0.000 0.287 4470 V C 0.092 176.185 176.094 -0.002 0.000 1.020 4470 V CA 0.032 62.321 62.300 -0.019 0.000 0.850 4470 V CB 1.609 33.400 31.823 -0.054 0.000 0.987 4470 V HN 0.987 nan 8.190 nan 0.000 0.436 4471 T N 2.985 117.536 114.554 -0.004 0.000 2.718 4471 T HA 0.376 4.726 4.350 0.000 0.000 0.306 4471 T C -0.279 174.418 174.700 -0.004 0.000 1.485 4471 T CA -0.063 62.038 62.100 0.001 0.000 0.997 4471 T CB 1.703 70.574 68.868 0.006 0.000 1.504 4471 T HN 0.788 nan 8.240 nan 0.000 0.497 4472 N N 0.214 118.913 118.700 -0.002 0.000 2.143 4472 N HA 0.235 4.975 4.740 0.000 0.000 0.222 4472 N C -0.627 174.880 175.510 -0.005 0.000 1.264 4472 N CA -0.396 52.650 53.050 -0.006 0.000 0.897 4472 N CB 0.342 38.824 38.487 -0.007 0.000 1.092 4472 N HN 0.514 nan 8.380 nan 0.000 0.516 4473 D N -0.432 119.968 120.400 -0.001 0.000 2.348 4473 D HA 0.371 5.012 4.640 0.000 0.000 0.253 4473 D C 1.466 177.765 176.300 -0.003 0.000 1.161 4473 D CA -0.041 53.958 54.000 -0.001 0.000 0.876 4473 D CB 1.138 41.940 40.800 0.003 0.000 1.160 4473 D HN 0.234 nan 8.370 nan 0.000 0.459 4474 G N 2.361 111.158 108.800 -0.004 0.000 2.418 4474 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 4474 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 4474 G C 1.463 176.362 174.900 -0.003 0.000 1.158 4474 G CA 0.612 45.708 45.100 -0.006 0.000 0.771 4474 G HN 0.477 nan 8.290 nan 0.000 0.545 4475 V N 0.847 120.760 119.914 -0.001 0.000 2.307 4475 V HA -0.161 3.959 4.120 0.000 0.000 0.245 4475 V C 3.172 179.267 176.094 0.002 0.000 1.045 4475 V CA 2.354 64.655 62.300 0.001 0.000 1.024 4475 V CB -0.869 30.956 31.823 0.003 0.000 0.651 4475 V HN 0.385 nan 8.190 nan 0.000 0.449 4476 T N 0.428 114.983 114.554 0.003 0.000 2.684 4476 T HA -0.185 4.165 4.350 0.000 0.000 0.267 4476 T C 1.815 176.516 174.700 0.003 0.000 1.036 4476 T CA 1.985 64.088 62.100 0.004 0.000 1.148 4476 T CB -0.325 68.547 68.868 0.006 0.000 0.863 4476 T HN 0.330 nan 8.240 nan 0.000 0.436 4477 I N 0.344 120.915 120.570 0.001 0.000 2.226 4477 I HA -0.148 4.023 4.170 0.000 0.000 0.245 4477 I C 2.079 178.196 176.117 -0.001 0.000 1.100 4477 I CA 0.977 62.276 61.300 -0.001 0.000 1.374 4477 I CB -0.280 37.717 38.000 -0.005 0.000 1.057 4477 I HN 0.160 nan 8.210 nan 0.000 0.413 4478 L N 0.135 121.358 121.223 -0.000 0.000 2.156 4478 L HA -0.086 4.254 4.340 0.000 0.000 0.208 4478 L C 2.468 179.340 176.870 0.004 0.000 1.095 4478 L CA 1.470 56.311 54.840 0.001 0.000 0.770 4478 L CB -0.973 41.086 42.059 0.001 0.000 0.914 4478 L HN 0.158 nan 8.230 nan 0.000 0.439 4479 R N -0.124 120.378 120.500 0.004 0.000 2.073 4479 R HA -0.094 4.246 4.340 0.000 0.000 0.229 4479 R C 1.858 178.161 176.300 0.005 0.000 1.120 4479 R CA 1.149 57.252 56.100 0.005 0.000 0.967 4479 R CB 0.104 30.407 30.300 0.005 0.000 0.862 4479 R HN 0.312 nan 8.270 nan 0.000 0.436 4480 E N 0.268 120.471 120.200 0.005 0.000 2.112 4480 E HA -0.004 4.346 4.350 0.000 0.000 0.190 4480 E C 0.802 177.405 176.600 0.005 0.000 0.979 4480 E CA 0.458 56.861 56.400 0.005 0.000 0.814 4480 E CB -0.056 29.647 29.700 0.005 0.000 0.762 4480 E HN 0.324 nan 8.360 nan 0.000 0.460 4481 M N 0.486 120.088 119.600 0.004 0.000 2.243 4481 M HA 0.047 4.527 4.480 0.000 0.000 0.341 4481 M C 0.442 176.746 176.300 0.006 0.000 1.130 4481 M CA 0.110 55.413 55.300 0.003 0.000 1.162 4481 M CB 0.998 33.598 32.600 0.001 0.000 1.497 4481 M HN -0.235 nan 8.290 nan 0.000 0.456 4482 S N 3.194 118.897 115.700 0.006 0.000 2.488 4482 S HA 0.476 4.947 4.470 0.000 0.000 0.310 4482 S C -0.528 174.078 174.600 0.011 0.000 1.093 4482 S CA -0.965 57.240 58.200 0.009 0.000 1.129 4482 S CB -0.058 63.146 63.200 0.008 0.000 0.989 4482 S HN 0.509 nan 8.310 nan 0.000 0.479 4483 V N 3.035 122.958 119.914 0.015 0.000 3.036 4483 V HA 0.615 4.735 4.120 0.000 0.000 0.308 4483 V C 0.720 176.831 176.094 0.028 0.000 1.070 4483 V CA -0.164 62.150 62.300 0.023 0.000 1.056 4483 V CB 1.146 32.985 31.823 0.027 0.000 1.084 4483 V HN 0.840 nan 8.190 nan 0.000 0.471 4484 E N -0.497 119.727 120.200 0.040 0.000 2.228 4484 E HA 0.102 4.452 4.350 0.000 0.000 0.197 4484 E C 0.405 177.030 176.600 0.041 0.000 0.909 4484 E CA -0.092 56.329 56.400 0.034 0.000 0.911 4484 E CB 0.080 29.798 29.700 0.030 0.000 0.887 4484 E HN 0.824 nan 8.360 nan 0.000 0.481 4485 H N 1.913 120.969 119.070 -0.023 0.000 2.764 4485 H HA 0.031 4.587 4.556 0.000 0.000 0.341 4485 H C -1.874 173.440 175.328 -0.024 0.000 1.072 4485 H CA -1.513 54.514 56.048 -0.034 0.000 1.444 4485 H CB 1.389 31.119 29.762 -0.054 0.000 1.458 4485 H HN -0.120 nan 8.280 nan 0.000 0.572 4486 P HA -0.136 nan 4.420 nan 0.000 0.216 4486 P C 1.087 178.492 177.300 0.174 0.000 1.150 4486 P CA 2.041 65.163 63.100 0.037 0.000 0.837 4486 P CB 0.102 31.762 31.700 -0.067 0.000 0.786 4487 A N -0.027 123.055 122.820 0.436 0.000 1.902 4487 A HA -0.103 4.217 4.320 0.000 0.000 0.217 4487 A C 2.319 179.948 177.584 0.075 0.000 1.181 4487 A CA 2.045 54.195 52.037 0.189 0.000 0.623 4487 A CB -1.555 17.463 19.000 0.029 0.000 0.818 4487 A HN 0.198 nan 8.150 nan 0.000 0.443 4488 A N -0.262 122.603 122.820 0.075 0.000 1.930 4488 A HA -0.153 4.167 4.320 0.000 0.000 0.217 4488 A C 2.121 179.727 177.584 0.037 0.000 1.175 4488 A CA 1.946 54.000 52.037 0.028 0.000 0.627 4488 A CB -0.439 18.574 19.000 0.023 0.000 0.815 4488 A HN 0.554 nan 8.150 nan 0.000 0.443 4489 K N -0.835 119.599 120.400 0.056 0.000 2.097 4489 K HA -0.092 4.228 4.320 0.000 0.000 0.206 4489 K C 1.996 178.615 176.600 0.032 0.000 1.049 4489 K CA 1.617 57.926 56.287 0.037 0.000 0.933 4489 K CB -0.233 32.288 32.500 0.034 0.000 0.717 4489 K HN 0.520 nan 8.250 nan 0.000 0.442 4490 M N 0.131 119.755 119.600 0.039 0.000 2.200 4490 M HA -0.133 4.347 4.480 0.000 0.000 0.265 4490 M C 1.843 178.157 176.300 0.023 0.000 1.066 4490 M CA 0.932 56.251 55.300 0.031 0.000 1.127 4490 M CB -0.083 32.540 32.600 0.038 0.000 1.379 4490 M HN 0.095 nan 8.290 nan 0.000 0.420 4491 L N 0.311 121.546 121.223 0.019 0.000 2.131 4491 L HA -0.129 4.211 4.340 0.000 0.000 0.210 4491 L C 2.152 179.027 176.870 0.008 0.000 1.092 4491 L CA 1.668 56.514 54.840 0.010 0.000 0.759 4491 L CB -0.655 41.404 42.059 0.001 0.000 0.903 4491 L HN 0.260 nan 8.230 nan 0.000 0.435 4492 I N -0.902 119.674 120.570 0.010 0.000 2.226 4492 I HA -0.295 3.875 4.170 0.000 0.000 0.245 4492 I C 2.270 178.393 176.117 0.009 0.000 1.100 4492 I CA 1.257 62.562 61.300 0.009 0.000 1.374 4492 I CB -0.251 37.755 38.000 0.011 0.000 1.057 4492 I HN 0.316 nan 8.210 nan 0.000 0.413 4493 E N 0.160 120.367 120.200 0.012 0.000 2.106 4493 E HA -0.145 4.205 4.350 0.000 0.000 0.192 4493 E C 2.317 178.924 176.600 0.011 0.000 0.984 4493 E CA 1.006 57.413 56.400 0.012 0.000 0.806 4493 E CB 0.032 29.740 29.700 0.014 0.000 0.750 4493 E HN 0.279 nan 8.360 nan 0.000 0.458 4494 V N 1.355 121.276 119.914 0.012 0.000 2.358 4494 V HA -0.261 3.859 4.120 0.000 0.000 0.246 4494 V C 2.320 178.419 176.094 0.009 0.000 1.047 4494 V CA 1.835 64.142 62.300 0.012 0.000 1.035 4494 V CB -0.643 31.188 31.823 0.014 0.000 0.658 4494 V HN 0.319 nan 8.190 nan 0.000 0.452 4495 A N -0.321 122.503 122.820 0.007 0.000 1.933 4495 A HA -0.241 4.079 4.320 0.000 0.000 0.218 4495 A C 2.280 179.867 177.584 0.005 0.000 1.175 4495 A CA 1.944 53.983 52.037 0.004 0.000 0.628 4495 A CB -0.412 18.590 19.000 0.002 0.000 0.814 4495 A HN 0.555 nan 8.150 nan 0.000 0.444 4496 K N -0.959 119.445 120.400 0.006 0.000 2.097 4496 K HA -0.074 4.246 4.320 0.000 0.000 0.205 4496 K C 2.030 178.633 176.600 0.006 0.000 1.050 4496 K CA 1.664 57.954 56.287 0.006 0.000 0.938 4496 K CB -0.308 32.196 32.500 0.007 0.000 0.718 4496 K HN 0.457 nan 8.250 nan 0.000 0.442 4497 T N 0.946 115.504 114.554 0.008 0.000 2.821 4497 T HA -0.170 4.181 4.350 0.000 0.000 0.267 4497 T C 1.819 176.524 174.700 0.008 0.000 1.046 4497 T CA 1.283 63.388 62.100 0.008 0.000 1.139 4497 T CB -0.127 68.747 68.868 0.010 0.000 0.871 4497 T HN 0.168 nan 8.240 nan 0.000 0.454 4498 Q N 1.232 121.037 119.800 0.007 0.000 2.124 4498 Q HA -0.133 4.208 4.340 0.000 0.000 0.202 4498 Q C 2.112 178.115 176.000 0.006 0.000 0.977 4498 Q CA 1.710 57.517 55.803 0.007 0.000 0.850 4498 Q CB -0.272 28.469 28.738 0.005 0.000 0.901 4498 Q HN 0.463 nan 8.270 nan 0.000 0.429 4499 E N 0.118 120.321 120.200 0.005 0.000 2.072 4499 E HA -0.134 4.217 4.350 0.000 0.000 0.191 4499 E C 1.567 178.170 176.600 0.005 0.000 0.985 4499 E CA 1.525 57.927 56.400 0.005 0.000 0.801 4499 E CB -0.016 29.687 29.700 0.004 0.000 0.750 4499 E HN 0.362 nan 8.360 nan 0.000 0.452 4500 K N -0.072 120.331 120.400 0.005 0.000 2.097 4500 K HA -0.107 4.214 4.320 0.000 0.000 0.205 4500 K C 2.069 178.672 176.600 0.005 0.000 1.050 4500 K CA 1.344 57.633 56.287 0.005 0.000 0.938 4500 K CB 0.020 32.523 32.500 0.005 0.000 0.718 4500 K HN 0.107 nan 8.250 nan 0.000 0.442 4501 E N -0.002 120.202 120.200 0.006 0.000 2.045 4501 E HA -0.053 4.298 4.350 0.000 0.000 0.190 4501 E C 2.129 178.733 176.600 0.007 0.000 0.968 4501 E CA 1.028 57.432 56.400 0.007 0.000 0.813 4501 E CB 0.062 29.767 29.700 0.008 0.000 0.780 4501 E HN 0.031 nan 8.360 nan 0.000 0.455 4502 V N -1.081 118.837 119.914 0.007 0.000 3.048 4502 V HA 0.237 4.357 4.120 0.000 0.000 0.241 4502 V C 1.631 177.729 176.094 0.006 0.000 1.129 4502 V CA 1.031 63.335 62.300 0.007 0.000 1.128 4502 V CB 0.492 32.319 31.823 0.007 0.000 0.849 4502 V HN 0.473 nan 8.190 nan 0.000 0.475 4503 G N 0.174 108.977 108.800 0.006 0.000 4.165 4503 G HA2 -0.248 3.712 3.960 0.000 0.000 0.211 4503 G HA3 -0.248 3.712 3.960 0.000 0.000 0.211 4503 G C 0.222 175.125 174.900 0.005 0.000 1.469 4503 G CA 0.333 45.436 45.100 0.006 0.000 0.964 4503 G HN 0.438 nan 8.290 nan 0.000 0.613 4504 D N 1.099 121.503 120.400 0.006 0.000 2.506 4504 D HA 0.492 5.132 4.640 0.000 0.000 0.272 4504 D C 1.506 177.807 176.300 0.003 0.000 1.214 4504 D CA 1.182 55.185 54.000 0.005 0.000 1.067 4504 D CB 0.707 41.512 40.800 0.008 0.000 1.117 4504 D HN 1.631 nan 8.370 nan 0.000 0.578 4505 G N -0.522 108.278 108.800 0.001 0.000 2.143 4505 G HA2 -0.318 3.643 3.960 0.000 0.000 0.249 4505 G HA3 -0.318 3.643 3.960 0.000 0.000 0.249 4505 G C 1.034 175.930 174.900 -0.006 0.000 0.981 4505 G CA 1.487 46.585 45.100 -0.003 0.000 0.665 4505 G HN 0.603 nan 8.290 nan 0.000 0.528 4506 T N -2.432 112.119 114.554 -0.005 0.000 2.612 4506 T HA -0.085 4.265 4.350 0.000 0.000 0.259 4506 T C 2.203 176.897 174.700 -0.011 0.000 1.065 4506 T CA 2.493 64.589 62.100 -0.006 0.000 1.167 4506 T CB -0.908 67.958 68.868 -0.003 0.000 0.863 4506 T HN 0.291 nan 8.240 nan 0.000 0.407 4507 T N 1.920 116.466 114.554 -0.013 0.000 2.720 4507 T HA -0.124 4.226 4.350 0.000 0.000 0.268 4507 T C 2.233 176.917 174.700 -0.025 0.000 1.037 4507 T CA 1.940 64.028 62.100 -0.019 0.000 1.144 4507 T CB -1.107 67.749 68.868 -0.020 0.000 0.864 4507 T HN 0.556 nan 8.240 nan 0.000 0.444 4508 T N 2.020 116.559 114.554 -0.025 0.000 2.652 4508 T HA -0.097 4.253 4.350 0.000 0.000 0.267 4508 T C 2.398 177.076 174.700 -0.037 0.000 1.039 4508 T CA 1.351 63.431 62.100 -0.033 0.000 1.153 4508 T CB -0.630 68.221 68.868 -0.028 0.000 0.863 4508 T HN 0.462 nan 8.240 nan 0.000 0.428 4509 A N 0.771 123.575 122.820 -0.027 0.000 1.933 4509 A HA -0.032 4.288 4.320 0.000 0.000 0.218 4509 A C 2.587 180.154 177.584 -0.028 0.000 1.175 4509 A CA 1.282 53.304 52.037 -0.025 0.000 0.628 4509 A CB -0.929 18.064 19.000 -0.012 0.000 0.814 4509 A HN 0.367 nan 8.150 nan 0.000 0.444 4510 V N -0.532 119.368 119.914 -0.025 0.000 2.358 4510 V HA -0.202 3.918 4.120 0.000 0.000 0.246 4510 V C 2.549 178.622 176.094 -0.036 0.000 1.047 4510 V CA 1.883 64.168 62.300 -0.025 0.000 1.035 4510 V CB -0.648 31.162 31.823 -0.022 0.000 0.658 4510 V HN 0.370 nan 8.190 nan 0.000 0.452 4511 V N -0.339 119.550 119.914 -0.042 0.000 2.358 4511 V HA -0.200 3.921 4.120 0.000 0.000 0.246 4511 V C 2.420 178.473 176.094 -0.068 0.000 1.047 4511 V CA 1.783 64.052 62.300 -0.052 0.000 1.035 4511 V CB -0.296 31.496 31.823 -0.052 0.000 0.658 4511 V HN 0.402 nan 8.190 nan 0.000 0.452 4512 V N 0.362 120.229 119.914 -0.078 0.000 2.295 4512 V HA -0.256 3.865 4.120 0.000 0.000 0.246 4512 V C 2.704 178.734 176.094 -0.107 0.000 1.049 4512 V CA 2.066 64.296 62.300 -0.116 0.000 1.024 4512 V CB -1.113 30.636 31.823 -0.124 0.000 0.648 4512 V HN 0.561 nan 8.190 nan 0.000 0.447 4513 A N 0.407 123.189 122.820 -0.064 0.000 1.933 4513 A HA -0.070 4.250 4.320 0.000 0.000 0.218 4513 A C 2.397 179.965 177.584 -0.026 0.000 1.175 4513 A CA 1.868 53.885 52.037 -0.033 0.000 0.628 4513 A CB -1.127 17.867 19.000 -0.011 0.000 0.814 4513 A HN 0.531 nan 8.150 nan 0.000 0.444 4514 G N -0.470 108.308 108.800 -0.037 0.000 2.421 4514 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 4514 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 4514 G C 1.468 176.347 174.900 -0.034 0.000 1.171 4514 G CA 1.263 46.343 45.100 -0.034 0.000 0.775 4514 G HN 0.570 nan 8.290 nan 0.000 0.543 4515 E N -0.266 119.901 120.200 -0.055 0.000 2.150 4515 E HA -0.014 4.336 4.350 0.000 0.000 0.193 4515 E C 2.344 178.912 176.600 -0.052 0.000 0.985 4515 E CA 0.299 56.662 56.400 -0.062 0.000 0.814 4515 E CB -0.257 29.385 29.700 -0.096 0.000 0.752 4515 E HN 0.243 nan 8.360 nan 0.000 0.466 4516 L N 0.142 121.325 121.223 -0.066 0.000 2.017 4516 L HA -0.119 4.221 4.340 0.000 0.000 0.208 4516 L C 2.179 179.120 176.870 0.119 0.000 1.073 4516 L CA 1.532 56.353 54.840 -0.031 0.000 0.745 4516 L CB -0.650 41.374 42.059 -0.058 0.000 0.894 4516 L HN 0.279 nan 8.230 nan 0.000 0.432 4517 L N -1.626 119.643 121.223 0.077 0.000 2.156 4517 L HA -0.160 4.180 4.340 0.000 0.000 0.208 4517 L C 2.658 179.560 176.870 0.053 0.000 1.095 4517 L CA 0.608 55.494 54.840 0.078 0.000 0.770 4517 L CB -0.363 41.717 42.059 0.035 0.000 0.914 4517 L HN 0.198 nan 8.230 nan 0.000 0.439 4518 R N 0.837 121.355 120.500 0.028 0.000 2.073 4518 R HA -0.171 4.169 4.340 0.000 0.000 0.234 4518 R C 2.162 178.483 176.300 0.036 0.000 1.134 4518 R CA 1.571 57.681 56.100 0.017 0.000 0.952 4518 R CB -0.113 30.185 30.300 -0.004 0.000 0.850 4518 R HN -0.020 nan 8.270 nan 0.000 0.433 4519 K N -0.141 120.293 120.400 0.057 0.000 2.057 4519 K HA 0.081 4.402 4.320 0.000 0.000 0.206 4519 K C 1.866 178.540 176.600 0.124 0.000 1.050 4519 K CA 1.595 57.935 56.287 0.088 0.000 0.935 4519 K CB -0.443 32.119 32.500 0.104 0.000 0.715 4519 K HN 0.299 nan 8.250 nan 0.000 0.439 4520 A N 0.526 123.448 122.820 0.171 0.000 1.933 4520 A HA -0.203 4.118 4.320 0.000 0.000 0.218 4520 A C 2.091 179.700 177.584 0.042 0.000 1.175 4520 A CA 1.800 53.909 52.037 0.119 0.000 0.628 4520 A CB -0.477 18.614 19.000 0.152 0.000 0.814 4520 A HN 0.452 nan 8.150 nan 0.000 0.444 4521 E N -0.336 119.889 120.200 0.041 0.000 2.153 4521 E HA -0.198 4.153 4.350 0.000 0.000 0.194 4521 E C 1.647 178.255 176.600 0.013 0.000 0.988 4521 E CA 1.056 57.466 56.400 0.017 0.000 0.811 4521 E CB -0.016 29.692 29.700 0.013 0.000 0.746 4521 E HN 0.526 nan 8.360 nan 0.000 0.466 4522 E N 0.252 120.466 120.200 0.022 0.000 2.153 4522 E HA -0.160 4.190 4.350 0.000 0.000 0.194 4522 E C 1.986 178.595 176.600 0.014 0.000 0.988 4522 E CA 0.514 56.925 56.400 0.019 0.000 0.811 4522 E CB 0.024 29.739 29.700 0.026 0.000 0.746 4522 E HN 0.327 nan 8.360 nan 0.000 0.466 4523 L N -0.026 121.206 121.223 0.014 0.000 2.095 4523 L HA -0.076 4.264 4.340 0.000 0.000 0.204 4523 L C 2.292 179.156 176.870 -0.011 0.000 1.080 4523 L CA 0.753 55.595 54.840 0.003 0.000 0.759 4523 L CB -0.942 41.113 42.059 -0.006 0.000 0.914 4523 L HN 0.166 nan 8.230 nan 0.000 0.439 4524 L N -0.040 121.172 121.223 -0.018 0.000 2.093 4524 L HA -0.189 4.151 4.340 0.000 0.000 0.208 4524 L C 2.214 179.073 176.870 -0.019 0.000 1.085 4524 L CA 1.564 56.386 54.840 -0.029 0.000 0.755 4524 L CB -0.872 41.169 42.059 -0.031 0.000 0.904 4524 L HN 0.242 nan 8.230 nan 0.000 0.435 4525 D N -1.185 119.210 120.400 -0.008 0.000 2.178 4525 D HA -0.234 4.406 4.640 0.000 0.000 0.202 4525 D C 2.141 178.440 176.300 -0.001 0.000 0.974 4525 D CA 0.687 54.685 54.000 -0.003 0.000 0.841 4525 D CB 0.097 40.898 40.800 0.001 0.000 0.953 4525 D HN 0.342 nan 8.370 nan 0.000 0.478 4526 Q N -0.166 119.634 119.800 0.000 0.000 2.482 4526 Q HA -0.029 4.311 4.340 0.000 0.000 0.209 4526 Q C -0.293 175.708 176.000 0.002 0.000 0.961 4526 Q CA 0.410 56.215 55.803 0.003 0.000 0.945 4526 Q CB 0.072 28.814 28.738 0.007 0.000 1.012 4526 Q HN 0.209 nan 8.270 nan 0.000 0.515 4527 N N -0.532 118.166 118.700 -0.005 0.000 2.815 4527 N HA -0.137 4.603 4.740 0.000 0.000 0.248 4527 N C -1.434 174.076 175.510 0.001 0.000 1.110 4527 N CA 0.726 53.772 53.050 -0.007 0.000 0.699 4527 N CB -1.691 36.796 38.487 -0.000 0.000 1.040 4527 N HN 0.033 nan 8.380 nan 0.000 0.555 4528 V N 1.568 121.481 119.914 -0.002 0.000 2.432 4528 V HA 0.101 4.221 4.120 0.000 0.000 0.275 4528 V C 1.097 177.198 176.094 0.012 0.000 1.043 4528 V CA -0.654 61.655 62.300 0.016 0.000 0.925 4528 V CB 1.412 33.241 31.823 0.009 0.000 0.985 4528 V HN 0.288 nan 8.190 nan 0.000 0.466 4529 H N 7.982 127.038 119.070 -0.024 0.000 3.094 4529 H HA 0.017 4.573 4.556 0.001 0.000 0.320 4529 H C -1.699 173.605 175.328 -0.041 0.000 1.000 4529 H CA -1.097 54.935 56.048 -0.026 0.000 1.413 4529 H CB 1.528 31.277 29.762 -0.022 0.000 1.405 4529 H HN 0.396 nan 8.280 nan 0.000 0.586 4530 P HA -0.170 nan 4.420 nan 0.000 0.217 4530 P C 1.531 178.867 177.300 0.061 0.000 1.148 4530 P CA 1.708 64.762 63.100 -0.077 0.000 0.834 4530 P CB 0.089 31.701 31.700 -0.147 0.000 0.783 4531 T N -1.807 112.939 114.554 0.321 0.000 2.915 4531 T HA -0.064 4.287 4.350 0.000 0.000 0.269 4531 T C 1.585 176.308 174.700 0.038 0.000 1.071 4531 T CA 0.761 62.952 62.100 0.152 0.000 1.132 4531 T CB -0.728 68.192 68.868 0.086 0.000 0.878 4531 T HN -0.027 nan 8.240 nan 0.000 0.479 4532 I N 0.214 120.813 120.570 0.048 0.000 2.286 4532 I HA -0.091 4.079 4.170 0.000 0.000 0.245 4532 I C 2.413 178.481 176.117 -0.082 0.000 1.104 4532 I CA 0.730 62.023 61.300 -0.012 0.000 1.397 4532 I CB -0.233 37.772 38.000 0.009 0.000 1.072 4532 I HN 0.104 nan 8.210 nan 0.000 0.417 4533 V N 0.402 120.233 119.914 -0.138 0.000 2.343 4533 V HA -0.223 3.897 4.120 0.000 0.000 0.247 4533 V C 2.423 178.217 176.094 -0.501 0.000 1.051 4533 V CA 1.495 63.581 62.300 -0.357 0.000 1.036 4533 V CB -0.369 31.243 31.823 -0.352 0.000 0.654 4533 V HN 0.220 nan 8.190 nan 0.000 0.451 4534 V N -0.067 119.694 119.914 -0.254 0.000 2.270 4534 V HA -0.283 3.838 4.120 0.000 0.000 0.245 4534 V C 2.425 178.479 176.094 -0.066 0.000 1.043 4534 V CA 2.415 64.632 62.300 -0.139 0.000 1.014 4534 V CB -0.652 31.142 31.823 -0.048 0.000 0.645 4534 V HN 0.545 nan 8.190 nan 0.000 0.447 4535 K N 0.195 120.562 120.400 -0.055 0.000 2.057 4535 K HA -0.155 4.165 4.320 0.000 0.000 0.207 4535 K C 2.159 178.747 176.600 -0.020 0.000 1.049 4535 K CA 1.667 57.937 56.287 -0.029 0.000 0.931 4535 K CB -0.629 31.855 32.500 -0.027 0.000 0.714 4535 K HN 0.492 nan 8.250 nan 0.000 0.440 4536 G N -0.015 108.768 108.800 -0.029 0.000 2.440 4536 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 4536 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 4536 G C 1.140 176.103 174.900 0.105 0.000 1.154 4536 G CA 0.694 45.812 45.100 0.030 0.000 0.767 4536 G HN 0.270 nan 8.290 nan 0.000 0.552 4537 Y N 0.816 121.041 120.300 -0.124 0.000 2.314 4537 Y HA 0.018 4.568 4.550 0.000 0.000 0.293 4537 Y C 2.996 178.714 175.900 -0.303 0.000 1.129 4537 Y CA 0.595 58.536 58.100 -0.264 0.000 1.201 4537 Y CB -0.672 37.748 38.460 -0.066 0.000 0.999 4537 Y HN 0.335 nan 8.280 nan 0.000 0.541 4538 Q N -0.561 119.243 119.800 0.007 0.000 2.046 4538 Q HA -0.108 4.233 4.340 0.000 0.000 0.200 4538 Q C 2.563 178.514 176.000 -0.081 0.000 0.975 4538 Q CA 1.386 57.169 55.803 -0.034 0.000 0.836 4538 Q CB -0.243 28.489 28.738 -0.010 0.000 0.896 4538 Q HN 0.417 nan 8.270 nan 0.000 0.428 4539 A N 1.086 123.861 122.820 -0.074 0.000 1.873 4539 A HA -0.102 4.218 4.320 0.000 0.000 0.215 4539 A C 2.286 179.806 177.584 -0.106 0.000 1.186 4539 A CA 1.607 53.603 52.037 -0.068 0.000 0.616 4539 A CB -0.841 18.137 19.000 -0.036 0.000 0.823 4539 A HN 0.390 nan 8.150 nan 0.000 0.442 4540 A N -0.219 122.475 122.820 -0.210 0.000 1.898 4540 A HA 0.196 4.516 4.320 0.000 0.000 0.216 4540 A C 2.492 179.827 177.584 -0.414 0.000 1.181 4540 A CA 2.025 53.872 52.037 -0.317 0.000 0.620 4540 A CB -0.980 17.675 19.000 -0.575 0.000 0.819 4540 A HN 1.037 nan 8.150 nan 0.000 0.442 4541 A N -0.968 121.497 122.820 -0.591 0.000 1.933 4541 A HA -0.171 4.149 4.320 0.000 0.000 0.218 4541 A C 2.145 179.684 177.584 -0.074 0.000 1.175 4541 A CA 2.064 53.934 52.037 -0.278 0.000 0.628 4541 A CB -0.476 18.396 19.000 -0.212 0.000 0.814 4541 A HN 0.527 nan 8.150 nan 0.000 0.444 4542 Q N 0.020 119.776 119.800 -0.074 0.000 2.119 4542 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 4542 Q C 1.839 177.846 176.000 0.012 0.000 0.972 4542 Q CA 1.798 57.588 55.803 -0.022 0.000 0.847 4542 Q CB -0.110 28.611 28.738 -0.029 0.000 0.903 4542 Q HN 0.486 nan 8.270 nan 0.000 0.433 4543 K N -0.410 120.007 120.400 0.029 0.000 2.167 4543 K HA 0.093 4.413 4.320 0.000 0.000 0.203 4543 K C 1.908 178.602 176.600 0.156 0.000 1.052 4543 K CA 0.934 57.291 56.287 0.117 0.000 0.956 4543 K CB -0.287 32.340 32.500 0.212 0.000 0.735 4543 K HN 0.278 nan 8.250 nan 0.000 0.451 4544 A N 1.587 124.478 122.820 0.119 0.000 1.898 4544 A HA -0.182 4.138 4.320 0.000 0.000 0.216 4544 A C 2.144 179.786 177.584 0.096 0.000 1.181 4544 A CA 1.262 53.377 52.037 0.131 0.000 0.620 4544 A CB -0.363 18.759 19.000 0.203 0.000 0.819 4544 A HN 0.335 nan 8.150 nan 0.000 0.442 4545 Q N -0.998 118.847 119.800 0.076 0.000 2.119 4545 Q HA -0.172 4.168 4.340 0.000 0.000 0.201 4545 Q C 2.080 178.112 176.000 0.054 0.000 0.972 4545 Q CA 1.375 57.213 55.803 0.057 0.000 0.847 4545 Q CB -0.105 28.659 28.738 0.043 0.000 0.903 4545 Q HN 0.855 nan 8.270 nan 0.000 0.433 4546 E N 0.861 121.098 120.200 0.062 0.000 2.072 4546 E HA -0.177 4.174 4.350 0.000 0.000 0.191 4546 E C 1.917 178.563 176.600 0.077 0.000 0.985 4546 E CA 0.616 57.053 56.400 0.062 0.000 0.801 4546 E CB 0.038 29.776 29.700 0.062 0.000 0.750 4546 E HN 0.304 nan 8.360 nan 0.000 0.452 4547 L N 0.335 121.618 121.223 0.101 0.000 2.083 4547 L HA -0.189 4.152 4.340 0.000 0.000 0.209 4547 L C 2.391 179.298 176.870 0.061 0.000 1.083 4547 L CA 0.316 55.210 54.840 0.090 0.000 0.752 4547 L CB -0.264 41.847 42.059 0.086 0.000 0.899 4547 L HN 0.243 nan 8.230 nan 0.000 0.433 4548 L N -0.120 121.137 121.223 0.056 0.000 2.083 4548 L HA -0.191 4.150 4.340 0.000 0.000 0.209 4548 L C 2.453 179.345 176.870 0.037 0.000 1.083 4548 L CA 1.704 56.569 54.840 0.043 0.000 0.752 4548 L CB -0.730 41.353 42.059 0.041 0.000 0.899 4548 L HN 0.158 nan 8.230 nan 0.000 0.433 4549 K N -1.499 118.924 120.400 0.038 0.000 2.148 4549 K HA -0.083 4.238 4.320 0.000 0.000 0.204 4549 K C 1.918 178.537 176.600 0.032 0.000 1.050 4549 K CA 1.462 57.768 56.287 0.032 0.000 0.942 4549 K CB -0.191 32.327 32.500 0.030 0.000 0.724 4549 K HN 0.307 nan 8.250 nan 0.000 0.446 4550 T N 1.980 116.558 114.554 0.039 0.000 2.777 4550 T HA -0.076 4.274 4.350 0.000 0.000 0.266 4550 T C 1.873 176.592 174.700 0.032 0.000 1.040 4550 T CA 1.269 63.392 62.100 0.039 0.000 1.141 4550 T CB -0.139 68.760 68.868 0.052 0.000 0.868 4550 T HN 0.383 nan 8.240 nan 0.000 0.444 4551 I N -0.303 120.287 120.570 0.034 0.000 3.419 4551 I HA 0.437 4.608 4.170 0.000 0.000 0.286 4551 I C 1.075 177.207 176.117 0.024 0.000 1.268 4551 I CA -0.525 60.792 61.300 0.029 0.000 1.414 4551 I CB -0.474 37.547 38.000 0.036 0.000 1.074 4551 I HN -0.051 nan 8.210 nan 0.000 0.457 4552 A N 1.550 124.384 122.820 0.024 0.000 2.546 4552 A HA 0.135 4.455 4.320 0.000 0.000 0.243 4552 A C 0.100 177.693 177.584 0.016 0.000 1.063 4552 A CA -0.022 52.027 52.037 0.020 0.000 0.757 4552 A CB -0.228 18.784 19.000 0.020 0.000 0.991 4552 A HN 0.638 nan 8.150 nan 0.000 0.503 4553 C N 3.411 122.720 119.300 0.014 0.000 2.273 4553 C HA 0.569 5.029 4.460 0.000 0.000 0.328 4553 C C 0.330 175.326 174.990 0.010 0.000 1.275 4553 C CA -0.616 58.409 59.018 0.011 0.000 1.704 4553 C CB -0.098 27.648 27.740 0.010 0.000 2.326 4553 C HN 0.943 nan 8.230 nan 0.000 0.517 4554 E N 3.613 123.818 120.200 0.009 0.000 2.324 4554 E HA 0.454 4.805 4.350 0.000 0.000 0.271 4554 E C -0.181 176.423 176.600 0.006 0.000 1.028 4554 E CA 0.069 56.474 56.400 0.007 0.000 0.890 4554 E CB 0.767 30.471 29.700 0.007 0.000 1.004 4554 E HN 0.719 nan 8.360 nan 0.000 0.431 4555 V N 1.530 121.448 119.914 0.006 0.000 3.040 4555 V HA 0.857 4.977 4.120 0.000 0.000 0.312 4555 V C 0.501 176.598 176.094 0.004 0.000 1.115 4555 V CA -0.752 61.551 62.300 0.005 0.000 0.998 4555 V CB 1.674 33.500 31.823 0.005 0.000 1.042 4555 V HN 0.681 nan 8.190 nan 0.000 0.433 4556 G N 0.572 109.374 108.800 0.004 0.000 2.365 4556 G HA2 0.478 4.439 3.960 0.000 0.000 0.249 4556 G HA3 0.478 4.439 3.960 0.000 0.000 0.249 4556 G C 0.967 175.870 174.900 0.004 0.000 1.288 4556 G CA 0.111 45.213 45.100 0.003 0.000 0.887 4556 G HN 1.666 nan 8.290 nan 0.000 0.524 4557 A N 2.194 125.016 122.820 0.004 0.000 1.972 4557 A HA -0.042 4.278 4.320 0.000 0.000 0.219 4557 A C 1.911 179.497 177.584 0.004 0.000 1.169 4557 A CA 1.204 53.243 52.037 0.004 0.000 0.635 4557 A CB 0.023 19.025 19.000 0.004 0.000 0.810 4557 A HN 0.519 nan 8.150 nan 0.000 0.446 4558 Q N -0.109 119.693 119.800 0.003 0.000 2.165 4558 Q HA 0.102 4.443 4.340 0.000 0.000 0.245 4558 Q C -0.987 175.014 176.000 0.003 0.000 0.841 4558 Q CA -0.162 55.642 55.803 0.003 0.000 1.078 4558 Q CB 0.149 28.889 28.738 0.003 0.000 1.169 4558 Q HN 0.715 nan 8.270 nan 0.000 0.475 4559 D N 0.872 121.273 120.400 0.003 0.000 2.346 4559 D HA -0.012 4.628 4.640 0.000 0.000 0.260 4559 D C 1.284 177.585 176.300 0.001 0.000 1.252 4559 D CA 0.115 54.116 54.000 0.002 0.000 0.895 4559 D CB 0.911 41.712 40.800 0.002 0.000 1.097 4559 D HN -0.210 nan 8.370 nan 0.000 0.489 4560 K N 3.580 123.980 120.400 0.001 0.000 2.077 4560 K HA -0.292 4.028 4.320 0.000 0.000 0.213 4560 K C 1.558 178.157 176.600 -0.001 0.000 1.051 4560 K CA 2.092 58.380 56.287 0.001 0.000 0.929 4560 K CB -0.130 32.370 32.500 0.000 0.000 0.715 4560 K HN 0.662 nan 8.250 nan 0.000 0.451 4561 E N -0.472 119.727 120.200 -0.001 0.000 2.023 4561 E HA -0.218 4.132 4.350 0.000 0.000 0.196 4561 E C 1.980 178.579 176.600 -0.003 0.000 1.003 4561 E CA 1.672 58.070 56.400 -0.003 0.000 0.809 4561 E CB -0.267 29.431 29.700 -0.003 0.000 0.755 4561 E HN 0.346 nan 8.360 nan 0.000 0.449 4562 I N 0.596 121.166 120.570 -0.001 0.000 2.614 4562 I HA -0.186 3.984 4.170 0.000 0.000 0.258 4562 I C 1.892 178.009 176.117 0.001 0.000 1.189 4562 I CA 0.640 61.941 61.300 0.000 0.000 1.462 4562 I CB -0.056 37.945 38.000 0.002 0.000 1.092 4562 I HN 0.204 nan 8.210 nan 0.000 0.442 4563 L N 0.059 121.282 121.223 0.001 0.000 2.093 4563 L HA -0.159 4.182 4.340 0.000 0.000 0.208 4563 L C 2.664 179.534 176.870 0.001 0.000 1.085 4563 L CA 2.357 57.198 54.840 0.002 0.000 0.755 4563 L CB -1.543 40.517 42.059 0.002 0.000 0.904 4563 L HN 0.480 nan 8.230 nan 0.000 0.435 4564 T N -4.850 109.703 114.554 -0.002 0.000 3.014 4564 T HA -0.074 4.276 4.350 0.000 0.000 0.263 4564 T C 1.900 176.596 174.700 -0.006 0.000 1.078 4564 T CA 0.495 62.593 62.100 -0.004 0.000 1.135 4564 T CB -0.082 68.783 68.868 -0.006 0.000 0.895 4564 T HN 0.184 nan 8.240 nan 0.000 0.480 4565 K N 0.510 120.906 120.400 -0.006 0.000 2.103 4565 K HA 0.129 4.449 4.320 0.000 0.000 0.204 4565 K C 2.116 178.714 176.600 -0.003 0.000 1.052 4565 K CA 0.821 57.103 56.287 -0.008 0.000 0.945 4565 K CB -0.131 32.365 32.500 -0.006 0.000 0.722 4565 K HN 0.258 nan 8.250 nan 0.000 0.443 4566 I N 1.242 121.813 120.570 0.001 0.000 2.202 4566 I HA -0.192 3.978 4.170 0.000 0.000 0.242 4566 I C 2.496 178.617 176.117 0.007 0.000 1.091 4566 I CA 1.148 62.451 61.300 0.006 0.000 1.368 4566 I CB -1.316 36.688 38.000 0.007 0.000 1.058 4566 I HN 0.085 nan 8.210 nan 0.000 0.410 4567 A N 0.954 123.776 122.820 0.004 0.000 1.851 4567 A HA -0.234 4.086 4.320 0.000 0.000 0.216 4567 A C 2.408 179.995 177.584 0.004 0.000 1.195 4567 A CA 1.924 53.964 52.037 0.004 0.000 0.622 4567 A CB -0.675 18.327 19.000 0.002 0.000 0.831 4567 A HN 0.333 nan 8.150 nan 0.000 0.444 4568 M N -0.970 118.629 119.600 -0.002 0.000 2.132 4568 M HA -0.124 4.357 4.480 0.000 0.000 0.263 4568 M C 2.275 178.573 176.300 -0.004 0.000 1.065 4568 M CA 1.917 57.212 55.300 -0.008 0.000 1.122 4568 M CB -0.742 31.846 32.600 -0.021 0.000 1.365 4568 M HN 0.474 nan 8.290 nan 0.000 0.411 4569 T N -0.140 114.414 114.554 -0.000 0.000 2.720 4569 T HA -0.160 4.190 4.350 0.000 0.000 0.268 4569 T C 1.956 176.678 174.700 0.038 0.000 1.037 4569 T CA 1.917 64.027 62.100 0.016 0.000 1.144 4569 T CB -0.317 68.562 68.868 0.019 0.000 0.864 4569 T HN 0.395 nan 8.240 nan 0.000 0.444 4570 S N 0.514 116.231 115.700 0.028 0.000 2.368 4570 S HA -0.037 4.433 4.470 0.000 0.000 0.225 4570 S C 2.035 176.656 174.600 0.035 0.000 1.030 4570 S CA 0.875 59.093 58.200 0.030 0.000 0.999 4570 S CB -0.482 62.730 63.200 0.020 0.000 0.844 4570 S HN 0.471 nan 8.310 nan 0.000 0.459 4571 I N 1.536 122.123 120.570 0.029 0.000 2.315 4571 I HA -0.090 4.080 4.170 0.000 0.000 0.248 4571 I C 1.292 177.438 176.117 0.049 0.000 1.117 4571 I CA 0.882 62.200 61.300 0.030 0.000 1.404 4571 I CB -0.906 37.105 38.000 0.018 0.000 1.071 4571 I HN 0.421 nan 8.210 nan 0.000 0.419 4572 T N -0.462 114.130 114.554 0.063 0.000 2.932 4572 T HA 0.306 4.657 4.350 0.000 0.000 0.312 4572 T C 1.149 175.950 174.700 0.169 0.000 1.071 4572 T CA 0.115 62.288 62.100 0.121 0.000 1.128 4572 T CB 1.236 70.182 68.868 0.130 0.000 0.984 4572 T HN 0.618 nan 8.240 nan 0.000 0.549 4573 G N 1.401 110.324 108.800 0.205 0.000 2.157 4573 G HA2 -0.206 3.755 3.960 0.000 0.000 0.248 4573 G HA3 -0.206 3.755 3.960 0.000 0.000 0.248 4573 G C -0.057 174.881 174.900 0.063 0.000 0.979 4573 G CA 0.382 45.554 45.100 0.120 0.000 0.650 4573 G HN 0.935 nan 8.290 nan 0.000 0.529 4574 K N -0.902 119.537 120.400 0.066 0.000 2.295 4574 K HA 0.611 4.931 4.320 0.000 0.000 0.239 4574 K C 1.560 178.185 176.600 0.042 0.000 0.991 4574 K CA -0.512 55.801 56.287 0.043 0.000 0.845 4574 K CB 1.342 33.864 32.500 0.037 0.000 1.197 4574 K HN 0.157 nan 8.250 nan 0.000 0.441 4575 G N 0.420 109.239 108.800 0.032 0.000 2.432 4575 G HA2 -0.247 3.714 3.960 0.000 0.000 0.219 4575 G HA3 -0.247 3.714 3.960 0.000 0.000 0.219 4575 G C 1.223 176.141 174.900 0.029 0.000 1.135 4575 G CA 1.069 46.187 45.100 0.030 0.000 0.767 4575 G HN 0.614 nan 8.290 nan 0.000 0.550 4576 A N 1.429 124.266 122.820 0.028 0.000 2.216 4576 A HA 0.066 4.386 4.320 0.000 0.000 0.214 4576 A C 2.095 179.693 177.584 0.023 0.000 1.160 4576 A CA 1.552 53.603 52.037 0.024 0.000 0.725 4576 A CB -0.398 18.615 19.000 0.022 0.000 0.784 4576 A HN 0.663 nan 8.150 nan 0.000 0.472 4577 E N 0.021 120.239 120.200 0.029 0.000 2.333 4577 E HA -0.234 4.116 4.350 0.000 0.000 0.198 4577 E C 1.755 178.363 176.600 0.014 0.000 1.007 4577 E CA 1.050 57.465 56.400 0.025 0.000 0.845 4577 E CB -0.211 29.515 29.700 0.045 0.000 0.766 4577 E HN 0.377 nan 8.360 nan 0.000 0.507 4578 K N 1.283 121.693 120.400 0.017 0.000 2.074 4578 K HA -0.126 4.194 4.320 0.000 0.000 0.209 4578 K C 1.177 177.780 176.600 0.005 0.000 1.048 4578 K CA 1.679 57.973 56.287 0.011 0.000 0.926 4578 K CB -0.142 32.367 32.500 0.014 0.000 0.713 4578 K HN 0.262 nan 8.250 nan 0.000 0.444 4579 A N 1.052 123.876 122.820 0.006 0.000 2.676 4579 A HA 0.117 4.437 4.320 0.000 0.000 0.297 4579 A C 1.216 178.801 177.584 0.002 0.000 1.132 4579 A CA -0.266 51.773 52.037 0.003 0.000 0.972 4579 A CB -0.063 18.941 19.000 0.006 0.000 1.197 4579 A HN 0.382 nan 8.150 nan 0.000 0.524 4580 K N 0.028 120.427 120.400 -0.001 0.000 2.281 4580 K HA -0.200 4.120 4.320 0.000 0.000 0.203 4580 K C 0.817 177.413 176.600 -0.006 0.000 1.046 4580 K CA 1.926 58.211 56.287 -0.003 0.000 0.938 4580 K CB -0.099 32.396 32.500 -0.008 0.000 0.737 4580 K HN 0.333 nan 8.250 nan 0.000 0.458 4581 E N 1.442 121.636 120.200 -0.009 0.000 2.072 4581 E HA -0.055 4.295 4.350 0.000 0.000 0.190 4581 E C 1.742 178.340 176.600 -0.004 0.000 0.982 4581 E CA 1.242 57.636 56.400 -0.009 0.000 0.803 4581 E CB 0.060 29.753 29.700 -0.012 0.000 0.755 4581 E HN 0.356 nan 8.360 nan 0.000 0.453 4582 K N -0.035 120.364 120.400 -0.001 0.000 2.103 4582 K HA -0.056 4.264 4.320 0.000 0.000 0.204 4582 K C 1.776 178.378 176.600 0.004 0.000 1.052 4582 K CA 0.619 56.908 56.287 0.002 0.000 0.945 4582 K CB -0.040 32.462 32.500 0.004 0.000 0.722 4582 K HN 0.015 nan 8.250 nan 0.000 0.443 4583 L N 0.887 122.112 121.223 0.004 0.000 2.056 4583 L HA -0.097 4.243 4.340 0.000 0.000 0.207 4583 L C 2.363 179.235 176.870 0.005 0.000 1.078 4583 L CA 1.641 56.484 54.840 0.006 0.000 0.749 4583 L CB -0.934 41.129 42.059 0.007 0.000 0.901 4583 L HN 0.120 nan 8.230 nan 0.000 0.433 4584 A N -0.959 121.862 122.820 0.002 0.000 1.933 4584 A HA -0.226 4.095 4.320 0.000 0.000 0.218 4584 A C 2.299 179.884 177.584 0.002 0.000 1.175 4584 A CA 1.643 53.680 52.037 0.001 0.000 0.628 4584 A CB -0.486 18.512 19.000 -0.002 0.000 0.814 4584 A HN 0.389 nan 8.150 nan 0.000 0.444 4585 E N 0.308 120.509 120.200 0.001 0.000 2.077 4585 E HA -0.144 4.206 4.350 0.000 0.000 0.193 4585 E C 1.695 178.298 176.600 0.005 0.000 0.989 4585 E CA 1.486 57.888 56.400 0.002 0.000 0.800 4585 E CB -0.366 29.335 29.700 0.002 0.000 0.746 4585 E HN 0.647 nan 8.360 nan 0.000 0.452 4586 I N -0.308 120.265 120.570 0.006 0.000 2.179 4586 I HA -0.232 3.938 4.170 0.000 0.000 0.242 4586 I C 1.924 178.045 176.117 0.007 0.000 1.088 4586 I CA 0.700 62.005 61.300 0.008 0.000 1.357 4586 I CB -0.149 37.856 38.000 0.010 0.000 1.051 4586 I HN 0.158 nan 8.210 nan 0.000 0.409 4587 I N -0.303 120.270 120.570 0.006 0.000 2.353 4587 I HA -0.176 3.994 4.170 0.000 0.000 0.248 4587 I C 2.296 178.416 176.117 0.005 0.000 1.119 4587 I CA 1.153 62.456 61.300 0.005 0.000 1.417 4587 I CB -0.272 37.731 38.000 0.005 0.000 1.078 4587 I HN -0.059 nan 8.210 nan 0.000 0.421 4588 V N 0.153 120.069 119.914 0.005 0.000 2.379 4588 V HA -0.185 3.935 4.120 0.000 0.000 0.245 4588 V C 2.438 178.536 176.094 0.005 0.000 1.044 4588 V CA 1.491 63.793 62.300 0.004 0.000 1.036 4588 V CB -0.564 31.261 31.823 0.003 0.000 0.664 4588 V HN 0.360 nan 8.190 nan 0.000 0.453 4589 E N 0.371 120.574 120.200 0.006 0.000 2.106 4589 E HA -0.117 4.233 4.350 0.000 0.000 0.192 4589 E C 2.348 178.953 176.600 0.008 0.000 0.984 4589 E CA 1.385 57.790 56.400 0.007 0.000 0.806 4589 E CB -0.474 29.231 29.700 0.008 0.000 0.750 4589 E HN 0.553 nan 8.360 nan 0.000 0.458 4590 A N 1.003 123.827 122.820 0.008 0.000 1.902 4590 A HA -0.134 4.186 4.320 0.000 0.000 0.217 4590 A C 2.613 180.200 177.584 0.006 0.000 1.181 4590 A CA 1.472 53.514 52.037 0.007 0.000 0.623 4590 A CB -0.656 18.348 19.000 0.006 0.000 0.818 4590 A HN 0.131 nan 8.150 nan 0.000 0.443 4591 V N -0.270 119.647 119.914 0.005 0.000 2.270 4591 V HA -0.202 3.918 4.120 0.000 0.000 0.245 4591 V C 2.772 178.869 176.094 0.006 0.000 1.043 4591 V CA 2.292 64.595 62.300 0.005 0.000 1.014 4591 V CB -0.868 30.957 31.823 0.004 0.000 0.645 4591 V HN 0.547 nan 8.190 nan 0.000 0.447 4592 S N 0.216 115.919 115.700 0.007 0.000 2.400 4592 S HA -0.203 4.267 4.470 0.000 0.000 0.232 4592 S C 2.170 176.776 174.600 0.010 0.000 1.025 4592 S CA 1.446 59.651 58.200 0.007 0.000 0.993 4592 S CB -0.480 62.725 63.200 0.008 0.000 0.808 4592 S HN 0.656 nan 8.310 nan 0.000 0.478 4593 A N 0.981 123.808 122.820 0.011 0.000 1.898 4593 A HA -0.033 4.287 4.320 0.000 0.000 0.216 4593 A C 2.330 179.923 177.584 0.015 0.000 1.181 4593 A CA 1.738 53.785 52.037 0.016 0.000 0.620 4593 A CB -0.610 18.399 19.000 0.016 0.000 0.819 4593 A HN 0.587 nan 8.150 nan 0.000 0.442 4594 V N -3.817 116.103 119.914 0.010 0.000 3.565 4594 V HA 0.113 4.234 4.120 0.000 0.000 0.260 4594 V C 1.957 178.053 176.094 0.005 0.000 1.231 4594 V CA 1.033 63.337 62.300 0.007 0.000 1.100 4594 V CB -0.238 31.587 31.823 0.003 0.000 0.807 4594 V HN 0.161 nan 8.190 nan 0.000 0.454 4595 V N 0.831 120.748 119.914 0.004 0.000 2.626 4595 V HA -0.092 4.028 4.120 0.000 0.000 0.252 4595 V C 1.573 177.668 176.094 0.002 0.000 1.067 4595 V CA 2.479 64.781 62.300 0.003 0.000 1.081 4595 V CB -0.536 31.288 31.823 0.003 0.000 0.686 4595 V HN 0.854 nan 8.190 nan 0.000 0.468 4596 D N -0.729 119.673 120.400 0.003 0.000 4.438 4596 D HA -0.217 4.423 4.640 0.000 0.000 0.158 4596 D C 0.591 176.891 176.300 -0.001 0.000 0.686 4596 D CA 1.919 55.919 54.000 0.000 0.000 1.183 4596 D CB -1.258 39.541 40.800 -0.003 0.000 0.623 4596 D HN 0.574 nan 8.370 nan 0.000 0.521 4597 D N 1.338 121.737 120.400 -0.003 0.000 2.398 4597 D HA 0.221 4.861 4.640 0.000 0.000 0.247 4597 D C -0.153 176.146 176.300 -0.001 0.000 1.227 4597 D CA 0.130 54.128 54.000 -0.003 0.000 0.980 4597 D CB 0.518 41.316 40.800 -0.004 0.000 1.106 4597 D HN 0.287 nan 8.370 nan 0.000 0.493 4598 E N 0.147 120.347 120.200 -0.001 0.000 2.136 4598 E HA 0.502 4.852 4.350 0.000 0.000 0.246 4598 E C -0.815 175.786 176.600 0.001 0.000 1.017 4598 E CA -0.530 55.870 56.400 0.001 0.000 0.883 4598 E CB -0.459 29.242 29.700 0.001 0.000 1.199 4598 E HN 0.496 nan 8.360 nan 0.000 0.447 4599 G N 2.765 111.566 108.800 0.001 0.000 2.384 4599 G HA2 0.169 4.129 3.960 0.000 0.000 0.300 4599 G HA3 0.169 4.129 3.960 0.000 0.000 0.300 4599 G C -1.857 173.044 174.900 0.001 0.000 1.582 4599 G CA -0.800 44.300 45.100 0.001 0.000 0.875 4599 G HN 0.150 nan 8.290 nan 0.000 0.628 4600 K N 0.904 121.305 120.400 0.000 0.000 2.588 4600 K HA 0.575 4.895 4.320 0.000 0.000 0.250 4600 K C -1.577 175.023 176.600 0.000 0.000 0.972 4600 K CA -0.632 55.655 56.287 0.000 0.000 0.821 4600 K CB 2.121 34.621 32.500 -0.000 0.000 1.249 4600 K HN 0.939 nan 8.250 nan 0.000 0.442 4601 V N 3.244 123.158 119.914 0.000 0.000 2.483 4601 V HA 0.418 4.538 4.120 0.000 0.000 0.295 4601 V C -1.002 175.092 176.094 -0.001 0.000 1.035 4601 V CA -0.498 61.802 62.300 0.000 0.000 0.896 4601 V CB 1.588 33.411 31.823 0.001 0.000 0.986 4601 V HN 0.781 nan 8.190 nan 0.000 0.447 4602 D N 4.671 125.069 120.400 -0.002 0.000 2.329 4602 D HA 0.321 4.961 4.640 0.000 0.000 0.232 4602 D C 0.862 177.159 176.300 -0.005 0.000 1.088 4602 D CA -0.252 53.745 54.000 -0.004 0.000 0.835 4602 D CB 1.828 42.625 40.800 -0.006 0.000 1.078 4602 D HN 0.594 nan 8.370 nan 0.000 0.495 4603 K N 2.232 122.629 120.400 -0.005 0.000 2.281 4603 K HA -0.167 4.153 4.320 0.000 0.000 0.203 4603 K C 0.889 177.483 176.600 -0.010 0.000 1.046 4603 K CA 0.918 57.201 56.287 -0.006 0.000 0.938 4603 K CB 0.206 32.703 32.500 -0.005 0.000 0.737 4603 K HN 0.394 nan 8.250 nan 0.000 0.458 4604 D N 0.715 121.108 120.400 -0.012 0.000 2.269 4604 D HA -0.071 4.570 4.640 0.000 0.000 0.208 4604 D C 1.327 177.615 176.300 -0.020 0.000 0.963 4604 D CA 0.657 54.647 54.000 -0.017 0.000 0.864 4604 D CB 0.176 40.965 40.800 -0.018 0.000 0.936 4604 D HN 0.103 nan 8.370 nan 0.000 0.505 4605 L N -0.151 121.063 121.223 -0.015 0.000 2.558 4605 L HA 0.185 4.526 4.340 0.000 0.000 0.225 4605 L C 0.313 177.175 176.870 -0.013 0.000 1.128 4605 L CA 0.215 55.047 54.840 -0.014 0.000 0.868 4605 L CB 0.219 42.273 42.059 -0.009 0.000 1.006 4605 L HN 0.021 nan 8.230 nan 0.000 0.454 4606 I N 0.552 121.115 120.570 -0.012 0.000 2.502 4606 I HA 0.176 4.346 4.170 0.000 0.000 0.276 4606 I C 0.077 176.185 176.117 -0.015 0.000 1.057 4606 I CA -0.412 60.882 61.300 -0.010 0.000 1.163 4606 I CB 1.001 38.998 38.000 -0.005 0.000 1.288 4606 I HN -0.085 nan 8.210 nan 0.000 0.479 4607 K N 6.203 126.589 120.400 -0.022 0.000 2.368 4607 K HA 0.292 4.612 4.320 0.000 0.000 0.282 4607 K C -0.399 176.187 176.600 -0.024 0.000 1.035 4607 K CA -0.362 55.907 56.287 -0.029 0.000 0.973 4607 K CB 0.970 33.443 32.500 -0.045 0.000 0.957 4607 K HN 0.440 nan 8.250 nan 0.000 0.474 4608 I N 4.266 124.823 120.570 -0.022 0.000 2.287 4608 I HA 0.145 4.315 4.170 0.000 0.000 0.290 4608 I C 0.240 176.344 176.117 -0.023 0.000 1.069 4608 I CA -0.567 60.723 61.300 -0.017 0.000 1.237 4608 I CB 0.501 38.495 38.000 -0.011 0.000 1.418 4608 I HN 0.506 nan 8.210 nan 0.000 0.481 4609 E N 7.299 127.484 120.200 -0.024 0.000 2.183 4609 E HA 0.560 4.910 4.350 0.000 0.000 0.271 4609 E C -0.897 175.693 176.600 -0.017 0.000 0.919 4609 E CA -0.713 55.668 56.400 -0.031 0.000 0.781 4609 E CB 1.394 31.063 29.700 -0.051 0.000 1.140 4609 E HN 0.550 nan 8.360 nan 0.000 0.402 4610 K N 2.244 122.634 120.400 -0.017 0.000 2.427 4610 K HA 0.686 5.006 4.320 0.000 0.000 0.252 4610 K C -1.195 175.399 176.600 -0.010 0.000 0.931 4610 K CA -1.169 55.112 56.287 -0.009 0.000 0.793 4610 K CB 1.905 34.398 32.500 -0.011 0.000 1.211 4610 K HN 0.216 nan 8.250 nan 0.000 0.426 4611 K N 1.450 121.849 120.400 -0.002 0.000 2.581 4611 K HA 0.188 4.509 4.320 0.000 0.000 0.249 4611 K C -1.223 175.379 176.600 0.003 0.000 0.966 4611 K CA -0.366 55.921 56.287 0.001 0.000 0.811 4611 K CB 2.255 34.764 32.500 0.014 0.000 1.223 4611 K HN 0.696 nan 8.250 nan 0.000 0.438 4612 S N 2.572 118.268 115.700 -0.006 0.000 2.560 4612 S HA 0.594 5.064 4.470 0.000 0.000 0.284 4612 S C 0.017 174.620 174.600 0.005 0.000 1.327 4612 S CA 1.239 59.436 58.200 -0.005 0.000 1.055 4612 S CB -0.131 63.060 63.200 -0.015 0.000 0.868 4612 S HN 1.045 nan 8.310 nan 0.000 0.506 4613 G N 1.968 110.773 108.800 0.008 0.000 2.348 4613 G HA2 0.532 4.492 3.960 0.000 0.000 0.606 4613 G HA3 0.532 4.492 3.960 0.000 0.000 0.606 4613 G C -0.180 174.728 174.900 0.014 0.000 1.466 4613 G CA -0.032 45.075 45.100 0.012 0.000 0.950 4613 G HN 2.071 nan 8.290 nan 0.000 0.657 4614 A N -0.616 122.211 122.820 0.013 0.000 6.088 4614 A HA 0.419 4.739 4.320 0.000 0.000 0.261 4614 A C 1.266 178.858 177.584 0.013 0.000 2.138 4614 A CA 1.981 54.026 52.037 0.012 0.000 0.708 4614 A CB -1.809 17.200 19.000 0.014 0.000 1.068 4614 A HN 2.916 nan 8.150 nan 0.000 0.364 4615 S N -1.655 114.052 115.700 0.013 0.000 2.759 4615 S HA 0.733 5.203 4.470 0.000 0.000 0.310 4615 S C 1.057 175.665 174.600 0.014 0.000 1.123 4615 S CA 0.084 58.292 58.200 0.013 0.000 0.959 4615 S CB 1.317 64.524 63.200 0.011 0.000 1.172 4615 S HN 1.918 nan 8.310 nan 0.000 0.539 4616 I N 0.516 121.094 120.570 0.014 0.000 2.567 4616 I HA -0.137 4.033 4.170 0.000 0.000 0.257 4616 I C 1.069 177.193 176.117 0.012 0.000 1.184 4616 I CA 1.440 62.748 61.300 0.014 0.000 1.451 4616 I CB -0.231 37.777 38.000 0.015 0.000 1.089 4616 I HN 0.634 nan 8.210 nan 0.000 0.441 4617 D N 0.851 121.258 120.400 0.011 0.000 2.219 4617 D HA -0.159 4.482 4.640 0.000 0.000 0.205 4617 D C 1.268 177.574 176.300 0.010 0.000 0.970 4617 D CA 1.219 55.224 54.000 0.009 0.000 0.851 4617 D CB -0.176 40.628 40.800 0.007 0.000 0.943 4617 D HN 0.517 nan 8.370 nan 0.000 0.488 4618 D N -0.185 120.222 120.400 0.012 0.000 2.363 4618 D HA -0.027 4.614 4.640 0.000 0.000 0.220 4618 D C 0.250 176.562 176.300 0.019 0.000 0.994 4618 D CA 0.401 54.410 54.000 0.014 0.000 0.890 4618 D CB 0.076 40.885 40.800 0.015 0.000 0.906 4618 D HN -0.056 nan 8.370 nan 0.000 0.530 4619 T N 1.802 116.368 114.554 0.019 0.000 2.908 4619 T HA 0.130 4.480 4.350 0.000 0.000 0.301 4619 T C 0.213 174.927 174.700 0.022 0.000 1.019 4619 T CA 0.263 62.376 62.100 0.021 0.000 1.152 4619 T CB 0.305 69.184 68.868 0.017 0.000 0.966 4619 T HN 0.295 nan 8.240 nan 0.000 0.540 4620 E N 1.870 122.088 120.200 0.029 0.000 2.412 4620 E HA 0.582 4.932 4.350 0.000 0.000 0.279 4620 E C -1.622 175.000 176.600 0.036 0.000 0.984 4620 E CA -1.157 55.261 56.400 0.030 0.000 0.788 4620 E CB 1.169 30.888 29.700 0.033 0.000 1.277 4620 E HN 0.308 nan 8.360 nan 0.000 0.455 4621 L N 1.789 123.031 121.223 0.032 0.000 2.307 4621 L HA 0.514 4.855 4.340 0.000 0.000 0.282 4621 L C -1.122 175.775 176.870 0.045 0.000 1.051 4621 L CA -0.441 54.418 54.840 0.032 0.000 0.804 4621 L CB 1.070 43.142 42.059 0.022 0.000 1.197 4621 L HN 0.599 nan 8.230 nan 0.000 0.431 4622 I N 5.506 126.107 120.570 0.052 0.000 2.382 4622 I HA 0.261 4.431 4.170 0.000 0.000 0.285 4622 I C 0.032 176.180 176.117 0.052 0.000 1.007 4622 I CA -0.695 60.651 61.300 0.076 0.000 1.142 4622 I CB 1.146 39.219 38.000 0.122 0.000 1.289 4622 I HN 0.595 nan 8.210 nan 0.000 0.453 4623 K N 5.875 126.303 120.400 0.046 0.000 2.199 4623 K HA 0.548 4.868 4.320 0.000 0.000 0.226 4623 K C 0.187 176.809 176.600 0.036 0.000 1.237 4623 K CA -0.123 56.183 56.287 0.032 0.000 1.170 4623 K CB -0.083 32.430 32.500 0.022 0.000 1.418 4623 K HN 0.854 nan 8.250 nan 0.000 0.255 4624 G N 0.074 108.893 108.800 0.031 0.000 2.368 4624 G HA2 0.142 4.102 3.960 0.000 0.000 0.269 4624 G HA3 0.142 4.102 3.960 0.000 0.000 0.269 4624 G C -1.714 173.186 174.900 0.000 0.000 1.291 4624 G CA -0.707 44.407 45.100 0.023 0.000 0.903 4624 G HN 0.145 nan 8.290 nan 0.000 0.483 4625 V N 0.628 120.530 119.914 -0.020 0.000 2.540 4625 V HA 0.674 4.794 4.120 0.000 0.000 0.302 4625 V C -0.640 175.378 176.094 -0.126 0.000 1.035 4625 V CA -0.655 61.601 62.300 -0.074 0.000 0.873 4625 V CB 1.455 33.219 31.823 -0.098 0.000 0.992 4625 V HN 0.884 nan 8.190 nan 0.000 0.428 4626 L N 6.748 127.851 121.223 -0.200 0.000 2.265 4626 L HA 0.673 5.013 4.340 0.000 0.000 0.289 4626 L C -0.455 176.259 176.870 -0.260 0.000 1.033 4626 L CA 0.151 54.764 54.840 -0.379 0.000 0.814 4626 L CB 1.493 43.231 42.059 -0.535 0.000 1.203 4626 L HN 0.445 nan 8.230 nan 0.000 0.423 4627 V N 4.489 124.271 119.914 -0.220 0.000 2.472 4627 V HA 0.313 4.433 4.120 0.000 0.000 0.290 4627 V C -0.220 175.820 176.094 -0.090 0.000 1.037 4627 V CA -0.626 61.603 62.300 -0.118 0.000 0.908 4627 V CB 1.608 33.407 31.823 -0.040 0.000 0.985 4627 V HN 0.830 nan 8.190 nan 0.000 0.454 4628 D N 3.600 123.963 120.400 -0.062 0.000 3.085 4628 D HA 0.192 4.833 4.640 0.000 0.000 0.243 4628 D C 0.057 176.356 176.300 -0.002 0.000 1.232 4628 D CA -0.276 53.698 54.000 -0.042 0.000 0.913 4628 D CB 0.115 40.891 40.800 -0.041 0.000 1.108 4628 D HN 0.243 nan 8.370 nan 0.000 0.468 4629 K N 0.520 120.933 120.400 0.023 0.000 2.439 4629 K HA 0.423 4.744 4.320 0.000 0.000 0.260 4629 K C 0.345 176.971 176.600 0.043 0.000 1.032 4629 K CA -0.646 55.669 56.287 0.045 0.000 0.882 4629 K CB 2.360 34.914 32.500 0.089 0.000 1.420 4629 K HN 0.331 nan 8.250 nan 0.000 0.455 4630 E N 0.645 120.862 120.200 0.029 0.000 2.393 4630 E HA 0.402 4.752 4.350 0.000 0.000 0.265 4630 E C -0.681 175.914 176.600 -0.009 0.000 0.941 4630 E CA -0.910 55.501 56.400 0.017 0.000 0.801 4630 E CB 1.157 30.865 29.700 0.013 0.000 1.313 4630 E HN 0.209 nan 8.360 nan 0.000 0.435 4631 R N 1.025 121.513 120.500 -0.019 0.000 2.351 4631 R HA 0.103 4.443 4.340 0.000 0.000 0.318 4631 R C 1.045 177.316 176.300 -0.049 0.000 1.055 4631 R CA -0.105 55.967 56.100 -0.047 0.000 0.968 4631 R CB 0.531 30.805 30.300 -0.044 0.000 0.974 4631 R HN 0.516 nan 8.270 nan 0.000 0.439 4632 V N 1.981 121.859 119.914 -0.061 0.000 2.688 4632 V HA -0.155 3.966 4.120 0.000 0.000 0.256 4632 V C 0.773 176.826 176.094 -0.069 0.000 1.084 4632 V CA 1.914 64.182 62.300 -0.054 0.000 1.103 4632 V CB 0.052 31.842 31.823 -0.055 0.000 0.688 4632 V HN 0.726 nan 8.190 nan 0.000 0.480 4633 S N -2.121 113.526 115.700 -0.088 0.000 2.526 4633 S HA 0.667 5.137 4.470 0.000 0.000 0.293 4633 S C 0.790 175.334 174.600 -0.094 0.000 1.092 4633 S CA -0.168 57.961 58.200 -0.119 0.000 0.980 4633 S CB 1.856 64.944 63.200 -0.188 0.000 1.048 4633 S HN 0.481 nan 8.310 nan 0.000 0.483 4634 A N 2.860 125.627 122.820 -0.088 0.000 2.070 4634 A HA -0.056 4.264 4.320 0.000 0.000 0.220 4634 A C 1.864 179.408 177.584 -0.066 0.000 1.159 4634 A CA 1.614 53.614 52.037 -0.063 0.000 0.656 4634 A CB -0.587 18.384 19.000 -0.050 0.000 0.800 4634 A HN 0.888 nan 8.150 nan 0.000 0.453 4635 Q N -1.112 118.631 119.800 -0.095 0.000 2.424 4635 Q HA 0.176 4.516 4.340 0.000 0.000 0.204 4635 Q C 0.396 176.356 176.000 -0.068 0.000 0.933 4635 Q CA -0.140 55.614 55.803 -0.082 0.000 0.929 4635 Q CB -0.065 28.607 28.738 -0.111 0.000 1.037 4635 Q HN 0.670 nan 8.270 nan 0.000 0.511 4636 M N 2.102 121.657 119.600 -0.074 0.000 2.242 4636 M HA 0.259 4.739 4.480 0.000 0.000 0.344 4636 M C -2.049 174.226 176.300 -0.042 0.000 1.140 4636 M CA -1.946 53.319 55.300 -0.059 0.000 1.160 4636 M CB 0.585 33.144 32.600 -0.069 0.000 1.491 4636 M HN -0.062 nan 8.290 nan 0.000 0.459 4637 P HA 0.013 nan 4.420 nan 0.000 0.266 4637 P C -0.521 176.765 177.300 -0.024 0.000 1.193 4637 P CA 0.289 63.374 63.100 -0.024 0.000 0.770 4637 P CB 0.472 32.160 31.700 -0.019 0.000 0.836 4638 K N 0.792 121.182 120.400 -0.015 0.000 2.367 4638 K HA 0.104 4.425 4.320 0.000 0.000 0.194 4638 K C 0.517 177.118 176.600 0.002 0.000 1.027 4638 K CA 0.358 56.640 56.287 -0.007 0.000 1.075 4638 K CB 0.366 32.863 32.500 -0.006 0.000 0.845 4638 K HN 0.311 nan 8.250 nan 0.000 0.529 4639 K N 1.193 121.592 120.400 -0.001 0.000 2.581 4639 K HA 0.267 4.587 4.320 0.000 0.000 0.249 4639 K C -1.816 174.785 176.600 0.003 0.000 0.966 4639 K CA -0.466 55.823 56.287 0.004 0.000 0.811 4639 K CB 1.984 34.483 32.500 -0.001 0.000 1.223 4639 K HN -0.239 nan 8.250 nan 0.000 0.438 4640 V N 3.121 123.041 119.914 0.010 0.000 2.531 4640 V HA 0.431 4.551 4.120 0.000 0.000 0.301 4640 V C -0.215 175.889 176.094 0.017 0.000 1.034 4640 V CA -0.715 61.590 62.300 0.009 0.000 0.865 4640 V CB 1.748 33.574 31.823 0.005 0.000 0.995 4640 V HN 0.944 nan 8.190 nan 0.000 0.424 4641 T N -0.122 114.440 114.554 0.012 0.000 2.925 4641 T HA 0.589 4.939 4.350 0.000 0.000 0.285 4641 T C 0.000 174.709 174.700 0.014 0.000 1.021 4641 T CA -0.318 61.790 62.100 0.013 0.000 1.042 4641 T CB 1.422 70.294 68.868 0.007 0.000 1.037 4641 T HN 0.763 nan 8.240 nan 0.000 0.481 4642 D N 0.180 120.589 120.400 0.016 0.000 2.699 4642 D HA -0.137 4.503 4.640 0.000 0.000 0.239 4642 D C 0.226 176.539 176.300 0.022 0.000 1.136 4642 D CA 0.865 54.875 54.000 0.016 0.000 0.668 4642 D CB -1.246 39.560 40.800 0.011 0.000 1.060 4642 D HN 1.096 nan 8.370 nan 0.000 0.429 4643 A N 1.477 124.315 122.820 0.030 0.000 2.425 4643 A HA 0.454 4.774 4.320 0.000 0.000 0.249 4643 A C 0.465 178.075 177.584 0.043 0.000 1.084 4643 A CA -0.022 52.037 52.037 0.038 0.000 0.781 4643 A CB 0.674 19.707 19.000 0.055 0.000 1.019 4643 A HN 0.145 nan 8.150 nan 0.000 0.490 4644 K N 2.775 123.199 120.400 0.040 0.000 2.404 4644 K HA 0.377 4.697 4.320 0.000 0.000 0.257 4644 K C -1.223 175.414 176.600 0.060 0.000 1.026 4644 K CA -0.255 56.059 56.287 0.044 0.000 0.951 4644 K CB 1.036 33.555 32.500 0.031 0.000 1.203 4644 K HN 0.542 nan 8.250 nan 0.000 0.446 4645 I N 2.205 122.828 120.570 0.088 0.000 2.371 4645 I HA 0.180 4.351 4.170 0.000 0.000 0.290 4645 I C 0.395 176.586 176.117 0.123 0.000 1.028 4645 I CA -0.092 61.296 61.300 0.146 0.000 1.345 4645 I CB 1.318 39.438 38.000 0.199 0.000 1.407 4645 I HN 0.504 nan 8.210 nan 0.000 0.501 4646 A N 7.582 130.482 122.820 0.134 0.000 2.330 4646 A HA 0.854 5.174 4.320 0.000 0.000 0.327 4646 A C -0.785 176.891 177.584 0.155 0.000 1.155 4646 A CA -0.564 51.536 52.037 0.105 0.000 0.803 4646 A CB 0.677 19.714 19.000 0.062 0.000 1.208 4646 A HN 0.653 nan 8.150 nan 0.000 0.477 4647 L N 3.474 124.763 121.223 0.110 0.000 2.345 4647 L HA 0.469 4.809 4.340 0.000 0.000 0.274 4647 L C -1.034 175.878 176.870 0.069 0.000 0.999 4647 L CA -0.052 54.851 54.840 0.104 0.000 0.849 4647 L CB 0.931 43.027 42.059 0.061 0.000 1.220 4647 L HN 0.569 nan 8.230 nan 0.000 0.422 4648 L N 2.878 124.145 121.223 0.074 0.000 2.365 4648 L HA 0.420 4.761 4.340 0.000 0.000 0.273 4648 L C 0.359 177.258 176.870 0.048 0.000 1.000 4648 L CA -0.538 54.332 54.840 0.050 0.000 0.819 4648 L CB 2.082 44.167 42.059 0.044 0.000 1.284 4648 L HN 0.580 nan 8.230 nan 0.000 0.418 4649 N N -0.240 118.480 118.700 0.034 0.000 2.205 4649 N HA 0.019 4.760 4.740 0.000 0.000 0.201 4649 N C 0.098 175.623 175.510 0.025 0.000 1.128 4649 N CA -0.309 52.759 53.050 0.029 0.000 0.867 4649 N CB 0.281 38.781 38.487 0.022 0.000 0.996 4649 N HN 0.407 nan 8.380 nan 0.000 0.503 4650 C N 1.658 120.973 119.300 0.024 0.000 2.499 4650 C HA 0.763 5.223 4.460 0.000 0.000 0.386 4650 C C 0.968 175.972 174.990 0.023 0.000 1.293 4650 C CA -0.961 58.069 59.018 0.021 0.000 1.884 4650 C CB -1.350 26.402 27.740 0.019 0.000 2.509 4650 C HN 0.564 nan 8.230 nan 0.000 0.566 4651 A N 6.341 129.174 122.820 0.021 0.000 2.540 4651 A HA 0.361 4.681 4.320 0.000 0.000 0.239 4651 A C 0.174 177.772 177.584 0.023 0.000 1.061 4651 A CA 0.134 52.184 52.037 0.022 0.000 0.758 4651 A CB -0.035 18.977 19.000 0.019 0.000 0.991 4651 A HN 0.894 nan 8.150 nan 0.000 0.502 4652 I N 2.364 122.950 120.570 0.025 0.000 2.257 4652 I HA 0.231 4.402 4.170 0.000 0.000 0.290 4652 I C 0.322 176.460 176.117 0.034 0.000 1.137 4652 I CA 0.469 61.787 61.300 0.029 0.000 1.255 4652 I CB -0.174 37.844 38.000 0.031 0.000 1.485 4652 I HN 0.784 nan 8.210 nan 0.000 0.534 4653 E N 5.072 125.290 120.200 0.030 0.000 2.317 4653 E HA 0.325 4.675 4.350 0.000 0.000 0.270 4653 E C -1.276 175.340 176.600 0.027 0.000 0.899 4653 E CA -0.511 55.907 56.400 0.031 0.000 0.814 4653 E CB 1.424 31.139 29.700 0.026 0.000 1.296 4653 E HN 0.261 nan 8.360 nan 0.000 0.404 4654 E N 2.725 122.944 120.200 0.032 0.000 2.256 4654 E HA 0.250 4.600 4.350 0.000 0.000 0.268 4654 E C -0.842 175.775 176.600 0.027 0.000 0.877 4654 E CA -0.765 55.650 56.400 0.025 0.000 0.757 4654 E CB 2.147 31.861 29.700 0.023 0.000 1.183 4654 E HN 0.458 nan 8.360 nan 0.000 0.418 4655 T N 1.560 116.126 114.554 0.020 0.000 2.934 4655 T HA 0.327 4.677 4.350 0.000 0.000 0.306 4655 T C 0.189 174.902 174.700 0.021 0.000 1.042 4655 T CA 0.835 62.946 62.100 0.018 0.000 1.145 4655 T CB 0.208 69.083 68.868 0.013 0.000 0.982 4655 T HN 0.720 nan 8.240 nan 0.000 0.544 4656 A N 2.550 125.385 122.820 0.024 0.000 2.435 4656 A HA -0.089 4.231 4.320 0.000 0.000 0.686 4656 A C 1.586 179.198 177.584 0.046 0.000 0.138 4656 A CA 0.268 52.321 52.037 0.027 0.000 0.024 4656 A CB -1.523 17.488 19.000 0.018 0.000 3.974 4656 A HN 0.942 nan 8.150 nan 0.000 0.548 4657 S N 0.116 115.854 115.700 0.064 0.000 2.383 4657 S HA -0.130 4.340 4.470 0.000 0.000 0.227 4657 S C 1.635 176.284 174.600 0.083 0.000 1.026 4657 S CA 2.047 60.325 58.200 0.131 0.000 0.981 4657 S CB -0.176 63.123 63.200 0.165 0.000 0.818 4657 S HN 1.044 nan 8.310 nan 0.000 0.472 4658 E N 0.737 120.951 120.200 0.024 0.000 2.106 4658 E HA -0.036 4.315 4.350 0.000 0.000 0.192 4658 E C 1.955 178.527 176.600 -0.046 0.000 0.984 4658 E CA 1.259 57.639 56.400 -0.034 0.000 0.806 4658 E CB -0.177 29.511 29.700 -0.020 0.000 0.750 4658 E HN 0.401 nan 8.360 nan 0.000 0.458 4659 M N -0.351 119.241 119.600 -0.014 0.000 2.200 4659 M HA -0.015 4.466 4.480 0.000 0.000 0.265 4659 M C 2.055 178.348 176.300 -0.011 0.000 1.066 4659 M CA 0.788 56.081 55.300 -0.013 0.000 1.127 4659 M CB -0.743 31.858 32.600 0.001 0.000 1.379 4659 M HN 0.237 nan 8.290 nan 0.000 0.420 4660 L N 0.621 121.852 121.223 0.012 0.000 2.179 4660 L HA -0.068 4.272 4.340 0.000 0.000 0.208 4660 L C 2.316 179.188 176.870 0.003 0.000 1.096 4660 L CA 1.752 56.614 54.840 0.036 0.000 0.779 4660 L CB -0.730 41.384 42.059 0.090 0.000 0.922 4660 L HN 0.222 nan 8.230 nan 0.000 0.443 4661 K N -0.646 119.694 120.400 -0.101 0.000 2.147 4661 K HA -0.245 4.075 4.320 0.000 0.000 0.205 4661 K C 1.802 178.278 176.600 -0.207 0.000 1.049 4661 K CA 1.697 57.770 56.287 -0.356 0.000 0.936 4661 K CB -0.155 31.896 32.500 -0.748 0.000 0.722 4661 K HN 0.395 nan 8.250 nan 0.000 0.446 4662 D N -0.075 120.250 120.400 -0.125 0.000 2.144 4662 D HA -0.163 4.477 4.640 0.000 0.000 0.199 4662 D C 1.836 178.105 176.300 -0.051 0.000 0.984 4662 D CA 1.188 55.140 54.000 -0.080 0.000 0.834 4662 D CB 0.170 40.938 40.800 -0.053 0.000 0.955 4662 D HN 0.137 nan 8.370 nan 0.000 0.465 4663 M N -0.095 119.485 119.600 -0.034 0.000 2.132 4663 M HA -0.082 4.398 4.480 0.000 0.000 0.263 4663 M C 2.298 178.593 176.300 -0.008 0.000 1.065 4663 M CA 0.653 55.946 55.300 -0.011 0.000 1.122 4663 M CB -0.799 31.804 32.600 0.005 0.000 1.365 4663 M HN 0.030 nan 8.290 nan 0.000 0.411 4664 V N 0.658 120.566 119.914 -0.011 0.000 2.343 4664 V HA -0.234 3.886 4.120 0.000 0.000 0.247 4664 V C 2.715 178.800 176.094 -0.015 0.000 1.051 4664 V CA 1.871 64.173 62.300 0.003 0.000 1.036 4664 V CB -1.357 30.483 31.823 0.028 0.000 0.654 4664 V HN 0.486 nan 8.190 nan 0.000 0.451 4665 A N -0.168 122.625 122.820 -0.046 0.000 1.933 4665 A HA -0.236 4.084 4.320 0.000 0.000 0.218 4665 A C 2.185 179.756 177.584 -0.023 0.000 1.175 4665 A CA 1.957 53.969 52.037 -0.042 0.000 0.628 4665 A CB -0.450 18.512 19.000 -0.064 0.000 0.814 4665 A HN 0.559 nan 8.150 nan 0.000 0.444 4666 E N 0.285 120.473 120.200 -0.020 0.000 2.106 4666 E HA -0.098 4.252 4.350 0.000 0.000 0.192 4666 E C 1.665 178.264 176.600 -0.002 0.000 0.984 4666 E CA 1.258 57.652 56.400 -0.010 0.000 0.806 4666 E CB -0.355 29.340 29.700 -0.008 0.000 0.750 4666 E HN 0.645 nan 8.360 nan 0.000 0.458 4667 I N 0.433 121.003 120.570 0.000 0.000 2.252 4667 I HA -0.211 3.959 4.170 0.000 0.000 0.245 4667 I C 2.511 178.631 176.117 0.005 0.000 1.102 4667 I CA 0.919 62.222 61.300 0.006 0.000 1.385 4667 I CB -0.326 37.680 38.000 0.009 0.000 1.064 4667 I HN 0.068 nan 8.210 nan 0.000 0.414 4668 K N 1.753 122.155 120.400 0.002 0.000 2.097 4668 K HA -0.146 4.174 4.320 0.000 0.000 0.206 4668 K C 2.099 178.700 176.600 0.002 0.000 1.049 4668 K CA 1.745 58.034 56.287 0.003 0.000 0.933 4668 K CB -0.220 32.280 32.500 0.001 0.000 0.717 4668 K HN 0.292 nan 8.250 nan 0.000 0.442 4669 A N 0.564 123.383 122.820 -0.001 0.000 1.978 4669 A HA -0.112 4.209 4.320 0.000 0.000 0.220 4669 A C 2.248 179.834 177.584 0.003 0.000 1.170 4669 A CA 2.053 54.089 52.037 -0.001 0.000 0.636 4669 A CB -0.527 18.471 19.000 -0.004 0.000 0.810 4669 A HN 0.380 nan 8.150 nan 0.000 0.448 4670 S N -1.813 113.890 115.700 0.005 0.000 2.447 4670 S HA 0.232 4.702 4.470 0.000 0.000 0.233 4670 S C 1.550 176.157 174.600 0.010 0.000 1.006 4670 S CA 1.246 59.451 58.200 0.009 0.000 0.957 4670 S CB -0.151 63.056 63.200 0.012 0.000 0.773 4670 S HN 1.697 nan 8.310 nan 0.000 0.507 4671 G N 0.727 109.533 108.800 0.009 0.000 2.163 4671 G HA2 -0.106 3.854 3.960 0.000 0.000 0.213 4671 G HA3 -0.106 3.854 3.960 0.000 0.000 0.213 4671 G C 0.120 175.027 174.900 0.012 0.000 0.991 4671 G CA -0.175 44.931 45.100 0.010 0.000 0.653 4671 G HN 0.835 nan 8.290 nan 0.000 0.518 4672 A N 0.042 122.870 122.820 0.013 0.000 2.540 4672 A HA 0.564 4.884 4.320 0.000 0.000 0.239 4672 A C 1.188 178.775 177.584 0.006 0.000 1.061 4672 A CA 1.035 53.081 52.037 0.015 0.000 0.758 4672 A CB 0.169 19.178 19.000 0.015 0.000 0.991 4672 A HN 0.375 nan 8.150 nan 0.000 0.502 4673 N N 0.618 119.321 118.700 0.005 0.000 2.382 4673 N HA 0.116 4.856 4.740 0.000 0.000 0.200 4673 N C -0.655 174.838 175.510 -0.028 0.000 1.122 4673 N CA 0.525 53.572 53.050 -0.006 0.000 0.870 4673 N CB 0.902 39.391 38.487 0.003 0.000 1.176 4673 N HN 0.389 nan 8.380 nan 0.000 0.474 4674 V N 2.390 122.287 119.914 -0.029 0.000 2.487 4674 V HA 0.445 4.565 4.120 0.000 0.000 0.298 4674 V C -0.966 175.059 176.094 -0.116 0.000 1.028 4674 V CA -0.831 61.411 62.300 -0.097 0.000 0.860 4674 V CB 2.389 34.189 31.823 -0.039 0.000 0.991 4674 V HN 0.004 nan 8.190 nan 0.000 0.427 4675 L N 5.571 126.643 121.223 -0.251 0.000 2.381 4675 L HA 0.712 5.053 4.340 0.000 0.000 0.274 4675 L C -1.418 175.237 176.870 -0.357 0.000 0.988 4675 L CA -0.024 54.712 54.840 -0.174 0.000 0.824 4675 L CB 1.475 43.482 42.059 -0.087 0.000 1.263 4675 L HN 0.469 nan 8.230 nan 0.000 0.410 4676 F N 4.876 124.829 119.950 0.005 0.000 2.375 4676 F HA 0.459 4.987 4.527 0.000 0.000 0.361 4676 F C 0.142 175.943 175.800 0.003 0.000 1.117 4676 F CA -0.361 57.640 58.000 0.001 0.000 1.037 4676 F CB 1.405 40.404 39.000 -0.002 0.000 1.192 4676 F HN 0.509 nan 8.300 nan 0.000 0.452 4677 C N 5.031 124.410 119.300 0.132 0.000 2.303 4677 C HA 0.253 4.713 4.460 0.000 0.000 0.326 4677 C C 1.612 176.653 174.990 0.085 0.000 1.285 4677 C CA -0.423 58.646 59.018 0.085 0.000 1.675 4677 C CB 0.779 28.544 27.740 0.042 0.000 2.289 4677 C HN 0.948 nan 8.230 nan 0.000 0.512 4678 Q N 3.412 123.253 119.800 0.068 0.000 2.079 4678 Q HA -0.048 4.292 4.340 0.000 0.000 0.200 4678 Q C 1.022 177.044 176.000 0.038 0.000 0.974 4678 Q CA 1.664 57.497 55.803 0.050 0.000 0.840 4678 Q CB 0.169 28.928 28.738 0.035 0.000 0.898 4678 Q HN 0.777 nan 8.270 nan 0.000 0.430 4679 K N -1.134 119.286 120.400 0.033 0.000 2.842 4679 K HA 0.397 4.718 4.320 0.000 0.000 0.310 4679 K C 0.493 177.109 176.600 0.026 0.000 0.992 4679 K CA -0.117 56.186 56.287 0.026 0.000 1.207 4679 K CB -0.243 32.270 32.500 0.022 0.000 1.478 4679 K HN 0.105 nan 8.250 nan 0.000 0.601 4680 G N 0.325 109.138 108.800 0.022 0.000 2.504 4680 G HA2 0.502 4.462 3.960 0.000 0.000 0.288 4680 G HA3 0.502 4.462 3.960 0.000 0.000 0.288 4680 G C -0.634 174.278 174.900 0.020 0.000 1.182 4680 G CA -0.630 44.481 45.100 0.019 0.000 0.894 4680 G HN 0.337 nan 8.290 nan 0.000 0.521 4681 I N 0.844 121.424 120.570 0.018 0.000 2.447 4681 I HA 0.167 4.338 4.170 0.000 0.000 0.287 4681 I C -0.539 175.594 176.117 0.026 0.000 1.023 4681 I CA -0.761 60.552 61.300 0.021 0.000 1.083 4681 I CB 1.990 39.996 38.000 0.011 0.000 1.245 4681 I HN 0.409 nan 8.210 nan 0.000 0.434 4682 D N 5.334 125.756 120.400 0.036 0.000 2.414 4682 D HA -0.035 4.605 4.640 0.000 0.000 0.242 4682 D C 0.678 177.012 176.300 0.058 0.000 1.129 4682 D CA 0.106 54.131 54.000 0.042 0.000 0.885 4682 D CB 1.355 42.182 40.800 0.045 0.000 1.198 4682 D HN 0.497 nan 8.370 nan 0.000 0.437 4683 D N 2.968 123.407 120.400 0.064 0.000 2.190 4683 D HA -0.169 4.471 4.640 0.000 0.000 0.200 4683 D C 1.920 178.333 176.300 0.187 0.000 0.992 4683 D CA 0.747 54.820 54.000 0.120 0.000 0.854 4683 D CB 0.258 41.128 40.800 0.116 0.000 0.936 4683 D HN 0.341 nan 8.370 nan 0.000 0.462 4684 L N 0.954 122.225 121.223 0.079 0.000 2.046 4684 L HA -0.102 4.239 4.340 0.000 0.000 0.208 4684 L C 2.494 179.428 176.870 0.107 0.000 1.077 4684 L CA 1.254 56.110 54.840 0.027 0.000 0.747 4684 L CB -0.958 41.136 42.059 0.058 0.000 0.896 4684 L HN -0.049 nan 8.230 nan 0.000 0.432 4685 A N -1.421 121.490 122.820 0.153 0.000 1.930 4685 A HA -0.208 4.112 4.320 0.000 0.000 0.217 4685 A C 2.209 179.869 177.584 0.125 0.000 1.175 4685 A CA 1.216 53.361 52.037 0.180 0.000 0.627 4685 A CB -0.396 18.672 19.000 0.114 0.000 0.815 4685 A HN 0.517 nan 8.150 nan 0.000 0.443 4686 Q N -1.184 118.660 119.800 0.073 0.000 2.124 4686 Q HA -0.215 4.126 4.340 0.000 0.000 0.202 4686 Q C 1.919 177.874 176.000 -0.077 0.000 0.977 4686 Q CA 1.865 57.658 55.803 -0.016 0.000 0.850 4686 Q CB -0.292 28.402 28.738 -0.074 0.000 0.901 4686 Q HN 0.863 nan 8.270 nan 0.000 0.429 4687 H N -1.297 117.711 119.070 -0.103 0.000 2.363 4687 H HA -0.106 4.450 4.556 0.000 0.000 0.301 4687 H C 1.318 176.561 175.328 -0.142 0.000 1.074 4687 H CA 1.388 57.333 56.048 -0.172 0.000 1.354 4687 H CB 0.029 29.608 29.762 -0.305 0.000 1.397 4687 H HN 0.240 nan 8.280 nan 0.000 0.516 4688 Y N 0.096 120.463 120.300 0.111 0.000 2.314 4688 Y HA -0.076 4.474 4.550 0.000 0.000 0.293 4688 Y C 2.253 178.166 175.900 0.022 0.000 1.129 4688 Y CA 0.600 58.732 58.100 0.054 0.000 1.201 4688 Y CB -0.485 37.999 38.460 0.040 0.000 0.999 4688 Y HN 0.127 nan 8.280 nan 0.000 0.541 4689 L N -1.033 120.284 121.223 0.157 0.000 2.046 4689 L HA -0.213 4.127 4.340 0.000 0.000 0.208 4689 L C 2.620 179.507 176.870 0.028 0.000 1.077 4689 L CA 1.156 56.036 54.840 0.068 0.000 0.747 4689 L CB -0.771 41.305 42.059 0.029 0.000 0.896 4689 L HN 0.191 nan 8.230 nan 0.000 0.432 4690 A N 0.021 122.842 122.820 0.003 0.000 1.933 4690 A HA -0.204 4.116 4.320 0.000 0.000 0.218 4690 A C 2.303 179.892 177.584 0.008 0.000 1.175 4690 A CA 1.529 53.552 52.037 -0.023 0.000 0.628 4690 A CB -0.308 18.645 19.000 -0.077 0.000 0.814 4690 A HN 0.308 nan 8.150 nan 0.000 0.444 4691 K N -0.368 120.059 120.400 0.045 0.000 2.147 4691 K HA -0.096 4.224 4.320 0.000 0.000 0.205 4691 K C 1.378 178.010 176.600 0.054 0.000 1.049 4691 K CA 1.238 57.563 56.287 0.063 0.000 0.936 4691 K CB -0.029 32.544 32.500 0.121 0.000 0.722 4691 K HN 0.384 nan 8.250 nan 0.000 0.446 4692 E N -0.470 119.763 120.200 0.055 0.000 2.478 4692 E HA 0.003 4.353 4.350 0.000 0.000 0.194 4692 E C 0.898 177.508 176.600 0.018 0.000 1.045 4692 E CA 0.526 56.947 56.400 0.036 0.000 0.868 4692 E CB 0.595 30.318 29.700 0.037 0.000 0.885 4692 E HN 0.477 nan 8.360 nan 0.000 0.505 4693 G N 1.949 110.756 108.800 0.011 0.000 2.147 4693 G HA2 -0.284 3.677 3.960 0.000 0.000 0.244 4693 G HA3 -0.284 3.677 3.960 0.000 0.000 0.244 4693 G C 0.221 175.115 174.900 -0.010 0.000 1.005 4693 G CA 0.174 45.273 45.100 -0.002 0.000 0.713 4693 G HN 0.253 nan 8.290 nan 0.000 0.515 4694 I N 1.041 121.604 120.570 -0.011 0.000 2.315 4694 I HA 0.444 4.614 4.170 0.000 0.000 0.291 4694 I C 0.993 177.082 176.117 -0.047 0.000 1.006 4694 I CA -1.170 60.115 61.300 -0.024 0.000 1.265 4694 I CB 1.573 39.564 38.000 -0.014 0.000 1.387 4694 I HN 0.143 nan 8.210 nan 0.000 0.475 4695 V N 3.624 123.497 119.914 -0.070 0.000 2.644 4695 V HA 0.934 5.055 4.120 0.000 0.000 0.295 4695 V C 0.057 176.056 176.094 -0.159 0.000 1.053 4695 V CA -0.326 61.913 62.300 -0.101 0.000 0.987 4695 V CB 1.309 33.073 31.823 -0.098 0.000 1.006 4695 V HN 0.831 nan 8.190 nan 0.000 0.472 4696 A N 3.139 125.859 122.820 -0.167 0.000 2.549 4696 A HA 0.984 5.304 4.320 0.000 0.000 0.297 4696 A C -0.392 177.074 177.584 -0.197 0.000 1.061 4696 A CA -0.296 51.619 52.037 -0.204 0.000 0.690 4696 A CB 1.800 20.730 19.000 -0.117 0.000 1.287 4696 A HN 2.340 nan 8.150 nan 0.000 0.402 4697 A N 1.957 124.632 122.820 -0.242 0.000 2.353 4697 A HA 0.740 5.061 4.320 0.000 0.000 0.299 4697 A C 0.022 177.592 177.584 -0.023 0.000 1.089 4697 A CA -0.627 51.340 52.037 -0.117 0.000 0.736 4697 A CB 0.748 19.687 19.000 -0.102 0.000 1.195 4697 A HN 1.217 nan 8.150 nan 0.000 0.447 4698 R N 1.856 122.357 120.500 0.002 0.000 2.608 4698 R HA 0.714 5.054 4.340 0.000 0.000 0.255 4698 R C -0.348 175.976 176.300 0.040 0.000 1.086 4698 R CA -0.773 55.342 56.100 0.025 0.000 1.125 4698 R CB 0.376 30.683 30.300 0.012 0.000 1.193 4698 R HN 0.490 nan 8.270 nan 0.000 0.553 4699 R N -1.084 119.439 120.500 0.037 0.000 3.525 4699 R HA -0.109 4.231 4.340 0.000 0.000 0.276 4699 R C -0.715 175.610 176.300 0.042 0.000 1.116 4699 R CA 0.590 56.709 56.100 0.033 0.000 0.745 4699 R CB -2.654 27.660 30.300 0.023 0.000 1.185 4699 R HN 0.517 nan 8.270 nan 0.000 0.454 4700 V N 1.432 121.383 119.914 0.063 0.000 2.572 4700 V HA 0.067 4.187 4.120 0.000 0.000 0.291 4700 V C 1.428 177.540 176.094 0.032 0.000 1.039 4700 V CA -0.159 62.184 62.300 0.071 0.000 1.055 4700 V CB 1.340 33.241 31.823 0.130 0.000 0.969 4700 V HN 0.138 nan 8.190 nan 0.000 0.482 4701 K N 3.256 123.663 120.400 0.011 0.000 2.382 4701 K HA 0.033 4.353 4.320 0.000 0.000 0.275 4701 K C 1.171 177.763 176.600 -0.013 0.000 1.009 4701 K CA -0.349 55.936 56.287 -0.004 0.000 0.970 4701 K CB 0.555 33.047 32.500 -0.014 0.000 0.934 4701 K HN 0.589 nan 8.250 nan 0.000 0.479 4702 K N 2.044 122.438 120.400 -0.010 0.000 2.074 4702 K HA -0.178 4.142 4.320 0.000 0.000 0.209 4702 K C 1.907 178.491 176.600 -0.027 0.000 1.048 4702 K CA 2.109 58.388 56.287 -0.013 0.000 0.926 4702 K CB -0.561 31.934 32.500 -0.008 0.000 0.713 4702 K HN 0.594 nan 8.250 nan 0.000 0.444 4703 S N 0.270 115.953 115.700 -0.029 0.000 2.359 4703 S HA -0.175 4.295 4.470 0.000 0.000 0.224 4703 S C 1.383 175.948 174.600 -0.059 0.000 1.035 4703 S CA 1.849 60.027 58.200 -0.038 0.000 1.018 4703 S CB -0.520 62.660 63.200 -0.034 0.000 0.876 4703 S HN 0.415 nan 8.310 nan 0.000 0.448 4704 D N 0.783 121.142 120.400 -0.068 0.000 2.144 4704 D HA -0.037 4.603 4.640 0.000 0.000 0.200 4704 D C 2.008 178.216 176.300 -0.154 0.000 0.978 4704 D CA 0.906 54.838 54.000 -0.112 0.000 0.833 4704 D CB -0.264 40.474 40.800 -0.104 0.000 0.961 4704 D HN 0.380 nan 8.370 nan 0.000 0.470 4705 M N 0.490 120.026 119.600 -0.106 0.000 2.159 4705 M HA -0.088 4.392 4.480 0.000 0.000 0.263 4705 M C 1.887 178.133 176.300 -0.089 0.000 1.063 4705 M CA 1.193 56.434 55.300 -0.098 0.000 1.110 4705 M CB -0.746 31.832 32.600 -0.036 0.000 1.374 4705 M HN 0.116 nan 8.290 nan 0.000 0.411 4706 E N 0.051 120.209 120.200 -0.069 0.000 2.072 4706 E HA -0.134 4.216 4.350 0.000 0.000 0.190 4706 E C 2.068 178.628 176.600 -0.067 0.000 0.982 4706 E CA 0.854 57.221 56.400 -0.055 0.000 0.803 4706 E CB 0.007 29.683 29.700 -0.040 0.000 0.755 4706 E HN 0.495 nan 8.360 nan 0.000 0.453 4707 K N 0.629 120.978 120.400 -0.085 0.000 2.097 4707 K HA -0.093 4.227 4.320 0.000 0.000 0.205 4707 K C 2.204 178.739 176.600 -0.109 0.000 1.050 4707 K CA 0.804 57.038 56.287 -0.088 0.000 0.938 4707 K CB -0.075 32.368 32.500 -0.095 0.000 0.718 4707 K HN 0.107 nan 8.250 nan 0.000 0.442 4708 L N 0.468 121.592 121.223 -0.165 0.000 2.056 4708 L HA -0.170 4.170 4.340 0.000 0.000 0.207 4708 L C 2.590 179.392 176.870 -0.114 0.000 1.078 4708 L CA 1.075 55.792 54.840 -0.204 0.000 0.749 4708 L CB -0.542 41.285 42.059 -0.387 0.000 0.901 4708 L HN 0.192 nan 8.230 nan 0.000 0.433 4709 A N 0.091 122.860 122.820 -0.085 0.000 1.902 4709 A HA -0.204 4.116 4.320 0.000 0.000 0.217 4709 A C 2.329 179.895 177.584 -0.030 0.000 1.181 4709 A CA 1.594 53.605 52.037 -0.043 0.000 0.623 4709 A CB -0.296 18.684 19.000 -0.032 0.000 0.818 4709 A HN 0.305 nan 8.150 nan 0.000 0.443 4710 K N -0.378 120.000 120.400 -0.035 0.000 2.025 4710 K HA -0.028 4.292 4.320 0.000 0.000 0.207 4710 K C 2.363 178.954 176.600 -0.015 0.000 1.049 4710 K CA 1.177 57.451 56.287 -0.023 0.000 0.933 4710 K CB -0.294 32.191 32.500 -0.026 0.000 0.714 4710 K HN 0.430 nan 8.250 nan 0.000 0.438 4711 A N 1.128 123.933 122.820 -0.024 0.000 1.854 4711 A HA -0.132 4.189 4.320 0.000 0.000 0.214 4711 A C 2.304 179.889 177.584 0.001 0.000 1.192 4711 A CA 2.099 54.129 52.037 -0.012 0.000 0.611 4711 A CB -1.019 17.965 19.000 -0.027 0.000 0.832 4711 A HN 0.464 nan 8.150 nan 0.000 0.442 4712 T N -4.080 110.469 114.554 -0.008 0.000 3.023 4712 T HA 0.339 4.690 4.350 0.000 0.000 0.266 4712 T C 1.465 176.176 174.700 0.018 0.000 1.093 4712 T CA 1.277 63.383 62.100 0.010 0.000 1.129 4712 T CB -0.249 68.625 68.868 0.010 0.000 0.899 4712 T HN 1.805 nan 8.240 nan 0.000 0.491 4713 G N 1.366 110.172 108.800 0.011 0.000 2.137 4713 G HA2 0.001 3.961 3.960 0.000 0.000 0.237 4713 G HA3 0.001 3.961 3.960 0.000 0.000 0.237 4713 G C 0.210 175.118 174.900 0.014 0.000 1.002 4713 G CA -0.025 45.084 45.100 0.014 0.000 0.702 4713 G HN 1.179 nan 8.290 nan 0.000 0.515 4714 A N -0.377 122.450 122.820 0.012 0.000 2.371 4714 A HA 0.638 4.958 4.320 0.000 0.000 0.257 4714 A C 0.374 177.965 177.584 0.012 0.000 1.089 4714 A CA 0.283 52.331 52.037 0.019 0.000 0.794 4714 A CB 0.521 19.537 19.000 0.028 0.000 1.029 4714 A HN 0.749 nan 8.150 nan 0.000 0.488 4715 N N 1.516 120.226 118.700 0.018 0.000 2.444 4715 N HA 0.365 5.105 4.740 0.000 0.000 0.262 4715 N C -0.911 174.609 175.510 0.017 0.000 0.974 4715 N CA -0.347 52.710 53.050 0.013 0.000 0.933 4715 N CB 1.224 39.719 38.487 0.013 0.000 1.137 4715 N HN 0.286 nan 8.380 nan 0.000 0.498 4716 V N 4.876 124.797 119.914 0.011 0.000 2.485 4716 V HA 0.134 4.254 4.120 0.000 0.000 0.287 4716 V C 0.387 176.491 176.094 0.016 0.000 1.022 4716 V CA -0.007 62.302 62.300 0.015 0.000 1.067 4716 V CB -0.151 31.676 31.823 0.006 0.000 0.967 4716 V HN 0.514 nan 8.190 nan 0.000 0.479 4717 I N 4.064 124.647 120.570 0.021 0.000 2.441 4717 I HA 0.446 4.616 4.170 0.000 0.000 0.295 4717 I C 0.971 177.099 176.117 0.019 0.000 0.994 4717 I CA -0.367 60.944 61.300 0.019 0.000 1.144 4717 I CB 1.378 39.390 38.000 0.020 0.000 1.314 4717 I HN 0.629 nan 8.210 nan 0.000 0.445 4718 A N 5.515 128.343 122.820 0.014 0.000 1.832 4718 A HA 0.310 4.630 4.320 0.000 0.000 0.214 4718 A C 1.148 178.740 177.584 0.014 0.000 1.204 4718 A CA 1.052 53.097 52.037 0.014 0.000 0.606 4718 A CB -0.258 18.748 19.000 0.010 0.000 0.849 4718 A HN 0.731 nan 8.150 nan 0.000 0.445 4719 A N -0.740 122.088 122.820 0.013 0.000 2.309 4719 A HA 0.609 4.929 4.320 0.000 0.000 0.298 4719 A C 0.864 178.456 177.584 0.013 0.000 1.165 4719 A CA -0.538 51.507 52.037 0.012 0.000 0.821 4719 A CB 0.131 19.137 19.000 0.009 0.000 1.102 4719 A HN 0.400 nan 8.150 nan 0.000 0.500 4720 I N 2.001 122.579 120.570 0.013 0.000 2.264 4720 I HA -0.322 3.848 4.170 0.000 0.000 0.248 4720 I C 2.756 178.879 176.117 0.010 0.000 1.111 4720 I CA 1.758 63.066 61.300 0.014 0.000 1.382 4720 I CB -0.245 37.763 38.000 0.013 0.000 1.060 4720 I HN 0.759 nan 8.210 nan 0.000 0.418 4721 A N 0.662 123.487 122.820 0.008 0.000 1.972 4721 A HA -0.154 4.167 4.320 0.000 0.000 0.219 4721 A C 2.482 180.070 177.584 0.006 0.000 1.169 4721 A CA 1.827 53.867 52.037 0.005 0.000 0.635 4721 A CB -0.687 18.316 19.000 0.004 0.000 0.810 4721 A HN 0.449 nan 8.150 nan 0.000 0.446 4722 A N -1.078 121.746 122.820 0.008 0.000 2.066 4722 A HA 0.266 4.587 4.320 0.000 0.000 0.218 4722 A C 1.021 178.611 177.584 0.010 0.000 1.157 4722 A CA 0.367 52.409 52.037 0.008 0.000 0.670 4722 A CB -0.499 18.506 19.000 0.009 0.000 0.804 4722 A HN 0.579 nan 8.150 nan 0.000 0.453 4723 L N 1.879 123.109 121.223 0.012 0.000 2.534 4723 L HA 0.291 4.631 4.340 0.000 0.000 0.271 4723 L C 0.473 177.350 176.870 0.012 0.000 1.178 4723 L CA 0.573 55.422 54.840 0.015 0.000 0.907 4723 L CB 0.236 42.306 42.059 0.018 0.000 1.164 4723 L HN 0.361 nan 8.230 nan 0.000 0.482 4724 S N 3.447 119.155 115.700 0.013 0.000 2.709 4724 S HA 0.792 5.262 4.470 0.000 0.000 0.302 4724 S C 0.879 175.487 174.600 0.014 0.000 1.127 4724 S CA -0.351 57.856 58.200 0.012 0.000 0.905 4724 S CB 1.293 64.499 63.200 0.010 0.000 1.151 4724 S HN 0.807 nan 8.310 nan 0.000 0.510 4725 A N 0.444 123.272 122.820 0.013 0.000 1.972 4725 A HA -0.066 4.254 4.320 0.000 0.000 0.219 4725 A C 2.026 179.620 177.584 0.016 0.000 1.169 4725 A CA 1.251 53.296 52.037 0.014 0.000 0.635 4725 A CB -0.879 18.128 19.000 0.012 0.000 0.810 4725 A HN 0.734 nan 8.150 nan 0.000 0.446 4726 Q N 0.129 119.937 119.800 0.014 0.000 2.437 4726 Q HA -0.094 4.246 4.340 0.000 0.000 0.210 4726 Q C 0.499 176.509 176.000 0.016 0.000 0.972 4726 Q CA 1.013 56.825 55.803 0.014 0.000 0.903 4726 Q CB -0.212 28.533 28.738 0.011 0.000 0.967 4726 Q HN 0.662 nan 8.270 nan 0.000 0.486 4727 D N -0.212 120.199 120.400 0.018 0.000 2.350 4727 D HA 0.081 4.721 4.640 0.000 0.000 0.213 4727 D C 0.403 176.719 176.300 0.026 0.000 1.031 4727 D CA 0.079 54.091 54.000 0.020 0.000 0.861 4727 D CB 0.646 41.458 40.800 0.020 0.000 0.926 4727 D HN 0.199 nan 8.370 nan 0.000 0.520 4728 L N 0.929 122.169 121.223 0.028 0.000 2.349 4728 L HA 0.369 4.710 4.340 0.000 0.000 0.275 4728 L C 1.207 178.098 176.870 0.036 0.000 1.115 4728 L CA -0.461 54.400 54.840 0.036 0.000 0.820 4728 L CB 1.246 43.325 42.059 0.033 0.000 1.135 4728 L HN -0.137 nan 8.230 nan 0.000 0.445 4729 G N 1.292 110.119 108.800 0.044 0.000 2.491 4729 G HA2 0.437 4.398 3.960 0.000 0.000 0.327 4729 G HA3 0.437 4.398 3.960 0.000 0.000 0.327 4729 G C -1.149 173.779 174.900 0.046 0.000 1.189 4729 G CA -0.478 44.646 45.100 0.041 0.000 0.956 4729 G HN 0.538 nan 8.290 nan 0.000 0.491 4730 D N -0.279 120.146 120.400 0.040 0.000 2.350 4730 D HA 0.615 5.255 4.640 0.000 0.000 0.245 4730 D C -0.335 175.988 176.300 0.039 0.000 1.036 4730 D CA 0.047 54.071 54.000 0.039 0.000 0.848 4730 D CB 2.114 42.933 40.800 0.032 0.000 1.307 4730 D HN 0.578 nan 8.370 nan 0.000 0.469 4731 A N 0.384 123.229 122.820 0.043 0.000 2.455 4731 A HA 0.618 4.939 4.320 0.000 0.000 0.300 4731 A C 0.859 178.463 177.584 0.034 0.000 1.040 4731 A CA -0.434 51.629 52.037 0.043 0.000 0.697 4731 A CB 1.712 20.752 19.000 0.067 0.000 1.265 4731 A HN 0.504 nan 8.150 nan 0.000 0.407 4732 G N 0.310 109.124 108.800 0.023 0.000 2.394 4732 G HA2 0.310 4.270 3.960 0.000 0.000 0.215 4732 G HA3 0.310 4.270 3.960 0.000 0.000 0.215 4732 G C 0.303 175.217 174.900 0.023 0.000 1.165 4732 G CA 1.570 46.679 45.100 0.015 0.000 0.784 4732 G HN 1.137 nan 8.290 nan 0.000 0.535 4733 L N 0.271 121.515 121.223 0.035 0.000 2.470 4733 L HA 0.657 4.997 4.340 0.000 0.000 0.268 4733 L C -1.312 175.601 176.870 0.072 0.000 0.964 4733 L CA -0.853 54.012 54.840 0.042 0.000 0.839 4733 L CB 2.548 44.624 42.059 0.029 0.000 1.276 4733 L HN -0.126 nan 8.230 nan 0.000 0.403 4734 V N 4.602 124.561 119.914 0.075 0.000 2.407 4734 V HA 0.649 4.770 4.120 0.000 0.000 0.291 4734 V C -0.516 175.631 176.094 0.089 0.000 1.018 4734 V CA -0.459 61.906 62.300 0.107 0.000 0.842 4734 V CB 1.478 33.367 31.823 0.111 0.000 0.996 4734 V HN 0.833 nan 8.190 nan 0.000 0.426 4735 E N 3.068 123.343 120.200 0.125 0.000 2.321 4735 E HA 0.381 4.732 4.350 0.000 0.000 0.278 4735 E C -1.103 175.589 176.600 0.153 0.000 0.902 4735 E CA -0.661 55.796 56.400 0.095 0.000 0.758 4735 E CB 2.277 32.004 29.700 0.045 0.000 1.213 4735 E HN 0.764 nan 8.360 nan 0.000 0.426 4736 E N 4.221 124.482 120.200 0.102 0.000 2.152 4736 E HA 0.246 4.596 4.350 0.000 0.000 0.285 4736 E C -0.906 175.755 176.600 0.102 0.000 1.043 4736 E CA -0.189 56.282 56.400 0.118 0.000 0.839 4736 E CB 0.670 30.406 29.700 0.060 0.000 1.069 4736 E HN 0.336 nan 8.360 nan 0.000 0.399 4737 R N 3.572 124.178 120.500 0.177 0.000 2.744 4737 R HA 0.393 4.733 4.340 0.000 0.000 0.279 4737 R C -0.796 175.597 176.300 0.154 0.000 0.977 4737 R CA -0.966 55.194 56.100 0.099 0.000 0.906 4737 R CB 1.945 32.198 30.300 -0.079 0.000 1.197 4737 R HN 0.331 nan 8.270 nan 0.000 0.463 4738 K N 2.315 122.763 120.400 0.080 0.000 2.234 4738 K HA 0.387 4.707 4.320 0.000 0.000 0.277 4738 K C -0.509 176.141 176.600 0.084 0.000 1.038 4738 K CA -0.499 55.835 56.287 0.078 0.000 0.888 4738 K CB 1.036 33.560 32.500 0.040 0.000 1.091 4738 K HN 0.258 nan 8.250 nan 0.000 0.467 4739 I N 2.640 123.275 120.570 0.108 0.000 2.359 4739 I HA 0.066 4.236 4.170 0.000 0.000 0.284 4739 I C 0.136 176.289 176.117 0.059 0.000 1.018 4739 I CA -0.284 61.076 61.300 0.100 0.000 1.173 4739 I CB 0.683 38.775 38.000 0.153 0.000 1.326 4739 I HN 0.685 nan 8.210 nan 0.000 0.462 4740 S N 4.629 120.353 115.700 0.041 0.000 3.587 4740 S HA -0.195 4.275 4.470 0.000 0.000 0.337 4740 S C 1.336 175.949 174.600 0.022 0.000 1.119 4740 S CA 1.131 59.346 58.200 0.026 0.000 0.976 4740 S CB -1.225 61.988 63.200 0.023 0.000 0.922 4740 S HN 1.333 nan 8.310 nan 0.000 0.503 4741 G N 0.366 109.182 108.800 0.026 0.000 2.420 4741 G HA2 -0.257 3.703 3.960 0.000 0.000 0.221 4741 G HA3 -0.257 3.703 3.960 0.000 0.000 0.221 4741 G C -0.379 174.537 174.900 0.027 0.000 1.117 4741 G CA 0.062 45.175 45.100 0.021 0.000 0.657 4741 G HN 0.597 nan 8.290 nan 0.000 0.512 4742 D N 1.665 122.083 120.400 0.030 0.000 2.417 4742 D HA 0.424 5.065 4.640 0.000 0.000 0.250 4742 D C 0.452 176.781 176.300 0.049 0.000 1.166 4742 D CA 0.765 54.784 54.000 0.031 0.000 0.881 4742 D CB 1.531 42.345 40.800 0.023 0.000 1.164 4742 D HN 0.261 nan 8.370 nan 0.000 0.467 4743 S N 3.006 118.732 115.700 0.043 0.000 2.481 4743 S HA 0.385 4.855 4.470 0.000 0.000 0.276 4743 S C -0.219 174.418 174.600 0.061 0.000 1.247 4743 S CA -0.401 57.835 58.200 0.059 0.000 1.053 4743 S CB 0.075 63.299 63.200 0.041 0.000 0.925 4743 S HN 0.310 nan 8.310 nan 0.000 0.491 4744 M N 4.497 124.157 119.600 0.100 0.000 2.593 4744 M HA 0.524 5.004 4.480 0.000 0.000 0.290 4744 M C -1.126 175.242 176.300 0.113 0.000 1.244 4744 M CA -0.611 54.721 55.300 0.053 0.000 0.857 4744 M CB 2.172 34.752 32.600 -0.035 0.000 1.738 4744 M HN 0.432 nan 8.290 nan 0.000 0.461 4745 I N 1.724 122.316 120.570 0.036 0.000 2.339 4745 I HA 0.363 4.534 4.170 0.000 0.000 0.290 4745 I C -1.283 174.841 176.117 0.011 0.000 0.994 4745 I CA -0.375 61.001 61.300 0.126 0.000 1.191 4745 I CB 0.896 39.000 38.000 0.173 0.000 1.343 4745 I HN 0.436 nan 8.210 nan 0.000 0.458 4746 F N 5.879 125.866 119.950 0.061 0.000 2.405 4746 F HA 0.358 4.885 4.527 0.000 0.000 0.355 4746 F C 0.196 176.031 175.800 0.058 0.000 1.121 4746 F CA -0.666 57.361 58.000 0.046 0.000 1.112 4746 F CB 1.358 40.374 39.000 0.027 0.000 1.126 4746 F HN 0.031 nan 8.300 nan 0.000 0.481 4747 V N 4.396 124.407 119.914 0.163 0.000 2.275 4747 V HA 0.342 4.462 4.120 0.000 0.000 0.272 4747 V C -0.313 175.841 176.094 0.100 0.000 1.028 4747 V CA -0.548 61.825 62.300 0.122 0.000 0.810 4747 V CB 0.319 32.182 31.823 0.066 0.000 1.043 4747 V HN 0.831 nan 8.190 nan 0.000 0.453 4748 E N 2.810 123.074 120.200 0.107 0.000 2.423 4748 E HA 0.655 5.006 4.350 0.000 0.000 0.269 4748 E C -0.639 175.989 176.600 0.047 0.000 0.948 4748 E CA -0.896 55.552 56.400 0.081 0.000 0.802 4748 E CB 1.501 31.264 29.700 0.106 0.000 1.339 4748 E HN 0.152 nan 8.360 nan 0.000 0.445 4749 E N -1.234 118.982 120.200 0.026 0.000 2.868 4749 E HA -0.161 4.190 4.350 0.000 0.000 0.278 4749 E C -0.634 175.960 176.600 -0.010 0.000 1.009 4749 E CA 0.678 57.080 56.400 0.003 0.000 0.856 4749 E CB -2.440 27.263 29.700 0.004 0.000 1.428 4749 E HN 0.566 nan 8.360 nan 0.000 0.423 4750 C N 0.773 120.068 119.300 -0.007 0.000 2.652 4750 C HA 0.110 4.570 4.460 0.000 0.000 0.412 4750 C C 2.282 177.229 174.990 -0.072 0.000 1.294 4750 C CA -0.225 58.782 59.018 -0.018 0.000 2.127 4750 C CB 0.549 28.290 27.740 0.001 0.000 2.691 4750 C HN 0.354 nan 8.230 nan 0.000 0.615 4751 K N 0.585 120.924 120.400 -0.103 0.000 1.978 4751 K HA -0.098 4.222 4.320 0.000 0.000 0.214 4751 K C 0.405 176.703 176.600 -0.502 0.000 1.049 4751 K CA 1.390 57.508 56.287 -0.282 0.000 0.939 4751 K CB -0.077 32.302 32.500 -0.201 0.000 0.721 4751 K HN 0.689 nan 8.250 nan 0.000 0.441 4752 H N 0.144 119.219 119.070 0.008 0.000 2.488 4752 H HA 0.235 4.791 4.556 0.000 0.000 0.237 4752 H C -2.498 172.832 175.328 0.004 0.000 1.395 4752 H CA -1.963 54.088 56.048 0.006 0.000 1.491 4752 H CB 0.712 30.477 29.762 0.004 0.000 1.567 4752 H HN 0.194 nan 8.280 nan 0.000 0.508 4753 P HA 0.112 nan 4.420 nan 0.000 0.271 4753 P C 0.308 177.635 177.300 0.045 0.000 1.218 4753 P CA -0.457 62.668 63.100 0.042 0.000 0.780 4753 P CB 1.830 33.542 31.700 0.020 0.000 0.901 4754 K N 0.382 120.797 120.400 0.026 0.000 2.358 4754 K HA 0.453 4.773 4.320 0.000 0.000 0.200 4754 K C 0.276 176.879 176.600 0.005 0.000 1.030 4754 K CA 0.058 56.356 56.287 0.018 0.000 1.097 4754 K CB 0.684 33.191 32.500 0.012 0.000 0.862 4754 K HN 0.556 nan 8.250 nan 0.000 0.534 4755 A N 0.421 123.241 122.820 0.001 0.000 2.486 4755 A HA 0.679 4.999 4.320 0.000 0.000 0.300 4755 A C -0.945 176.635 177.584 -0.006 0.000 1.048 4755 A CA -0.777 51.254 52.037 -0.009 0.000 0.696 4755 A CB 1.260 20.246 19.000 -0.024 0.000 1.278 4755 A HN -0.011 nan 8.150 nan 0.000 0.405 4756 V N -1.248 118.661 119.914 -0.007 0.000 3.074 4756 V HA 0.973 5.093 4.120 0.000 0.000 0.314 4756 V C -0.406 175.682 176.094 -0.011 0.000 1.117 4756 V CA -0.590 61.708 62.300 -0.002 0.000 1.014 4756 V CB 1.673 33.499 31.823 0.006 0.000 1.057 4756 V HN 0.875 nan 8.190 nan 0.000 0.438 4757 T N 3.612 118.163 114.554 -0.006 0.000 2.848 4757 T HA 0.548 4.899 4.350 0.000 0.000 0.285 4757 T C -0.594 174.107 174.700 0.002 0.000 0.995 4757 T CA -0.230 61.861 62.100 -0.016 0.000 0.970 4757 T CB 1.431 70.273 68.868 -0.043 0.000 0.976 4757 T HN 0.949 nan 8.240 nan 0.000 0.441 4758 M N 4.595 124.193 119.600 -0.003 0.000 2.066 4758 M HA 0.500 4.980 4.480 0.000 0.000 0.340 4758 M C -1.308 174.996 176.300 0.007 0.000 1.053 4758 M CA -0.796 54.508 55.300 0.007 0.000 0.983 4758 M CB 0.396 32.999 32.600 0.005 0.000 1.520 4758 M HN 0.524 nan 8.290 nan 0.000 0.428 4759 L N 6.963 128.200 121.223 0.023 0.000 2.261 4759 L HA 0.472 4.812 4.340 0.000 0.000 0.289 4759 L C -0.992 175.894 176.870 0.027 0.000 1.059 4759 L CA -0.386 54.471 54.840 0.028 0.000 0.816 4759 L CB 0.507 42.607 42.059 0.068 0.000 1.191 4759 L HN 0.743 nan 8.230 nan 0.000 0.431 4760 I N 5.647 126.227 120.570 0.016 0.000 2.325 4760 I HA 0.324 4.494 4.170 0.000 0.000 0.291 4760 I C 0.191 176.318 176.117 0.016 0.000 1.019 4760 I CA -0.301 61.008 61.300 0.015 0.000 1.302 4760 I CB 0.883 38.888 38.000 0.008 0.000 1.401 4760 I HN 0.588 nan 8.210 nan 0.000 0.485 4761 R N 3.952 124.463 120.500 0.019 0.000 2.873 4761 R HA 0.899 5.239 4.340 0.000 0.000 0.264 4761 R C -0.322 175.987 176.300 0.015 0.000 1.026 4761 R CA -0.991 55.120 56.100 0.018 0.000 1.002 4761 R CB 2.242 32.556 30.300 0.022 0.000 1.174 4761 R HN 0.829 nan 8.270 nan 0.000 0.488 4762 G N -0.730 108.078 108.800 0.014 0.000 2.340 4762 G HA2 0.036 3.996 3.960 0.000 0.000 0.298 4762 G HA3 0.036 3.996 3.960 0.000 0.000 0.298 4762 G C 0.001 174.910 174.900 0.014 0.000 1.498 4762 G CA -0.681 44.428 45.100 0.015 0.000 0.847 4762 G HN 0.401 nan 8.290 nan 0.000 0.594 4763 T N 0.366 114.931 114.554 0.018 0.000 2.915 4763 T HA 0.180 4.530 4.350 0.000 0.000 0.269 4763 T C 0.903 175.614 174.700 0.019 0.000 1.071 4763 T CA 2.004 64.114 62.100 0.018 0.000 1.132 4763 T CB -0.147 68.733 68.868 0.021 0.000 0.878 4763 T HN 0.666 nan 8.240 nan 0.000 0.479 4764 T N -0.047 114.520 114.554 0.022 0.000 2.894 4764 T HA 0.298 4.648 4.350 0.000 0.000 0.309 4764 T C 0.615 175.311 174.700 -0.006 0.000 1.208 4764 T CA -0.740 61.372 62.100 0.019 0.000 1.016 4764 T CB 2.680 71.583 68.868 0.059 0.000 1.192 4764 T HN -0.082 nan 8.240 nan 0.000 0.491 4765 E N 0.749 120.908 120.200 -0.069 0.000 2.070 4765 E HA -0.224 4.126 4.350 0.000 0.000 0.197 4765 E C 1.631 178.149 176.600 -0.137 0.000 1.004 4765 E CA 1.942 58.258 56.400 -0.139 0.000 0.805 4765 E CB -0.127 29.428 29.700 -0.243 0.000 0.744 4765 E HN 0.630 nan 8.360 nan 0.000 0.451 4766 H N -0.806 118.267 119.070 0.005 0.000 2.456 4766 H HA -0.048 4.508 4.556 0.000 0.000 0.296 4766 H C 2.129 177.460 175.328 0.005 0.000 1.079 4766 H CA 1.407 57.458 56.048 0.004 0.000 1.322 4766 H CB -0.079 29.685 29.762 0.004 0.000 1.388 4766 H HN 0.134 nan 8.280 nan 0.000 0.538 4767 V N 1.943 121.923 119.914 0.110 0.000 2.346 4767 V HA -0.186 3.934 4.120 0.000 0.000 0.244 4767 V C 2.664 178.782 176.094 0.041 0.000 1.037 4767 V CA 1.592 63.932 62.300 0.066 0.000 1.029 4767 V CB -0.483 31.370 31.823 0.049 0.000 0.663 4767 V HN 0.404 nan 8.190 nan 0.000 0.454 4768 I N -1.650 118.934 120.570 0.023 0.000 2.830 4768 I HA -0.088 4.082 4.170 0.000 0.000 0.263 4768 I C 2.076 178.199 176.117 0.010 0.000 1.230 4768 I CA 1.428 62.735 61.300 0.012 0.000 1.480 4768 I CB -0.543 37.457 38.000 0.001 0.000 1.095 4768 I HN 0.307 nan 8.210 nan 0.000 0.455 4769 E N 1.370 121.579 120.200 0.015 0.000 2.072 4769 E HA -0.193 4.157 4.350 0.000 0.000 0.190 4769 E C 2.093 178.711 176.600 0.030 0.000 0.982 4769 E CA 0.923 57.335 56.400 0.020 0.000 0.803 4769 E CB -0.115 29.604 29.700 0.031 0.000 0.755 4769 E HN 0.497 nan 8.360 nan 0.000 0.453 4770 E N 1.049 121.273 120.200 0.041 0.000 2.153 4770 E HA -0.150 4.200 4.350 0.000 0.000 0.194 4770 E C 2.059 178.675 176.600 0.026 0.000 0.988 4770 E CA 0.826 57.247 56.400 0.035 0.000 0.811 4770 E CB 0.215 29.938 29.700 0.039 0.000 0.746 4770 E HN 0.088 nan 8.360 nan 0.000 0.466 4771 V N 1.236 121.164 119.914 0.023 0.000 2.379 4771 V HA -0.170 3.950 4.120 0.000 0.000 0.245 4771 V C 2.626 178.728 176.094 0.014 0.000 1.044 4771 V CA 1.496 63.807 62.300 0.018 0.000 1.036 4771 V CB -0.807 31.026 31.823 0.017 0.000 0.664 4771 V HN 0.333 nan 8.190 nan 0.000 0.453 4772 A N 0.588 123.415 122.820 0.012 0.000 1.940 4772 A HA -0.278 4.042 4.320 0.000 0.000 0.219 4772 A C 2.309 179.899 177.584 0.009 0.000 1.176 4772 A CA 2.330 54.371 52.037 0.008 0.000 0.631 4772 A CB -0.499 18.504 19.000 0.004 0.000 0.814 4772 A HN 0.463 nan 8.150 nan 0.000 0.446 4773 R N 0.054 120.561 120.500 0.012 0.000 2.090 4773 R HA 0.095 4.436 4.340 0.000 0.000 0.228 4773 R C 2.139 178.446 176.300 0.013 0.000 1.110 4773 R CA 1.757 57.864 56.100 0.012 0.000 0.973 4773 R CB -0.944 29.365 30.300 0.015 0.000 0.869 4773 R HN 0.361 nan 8.270 nan 0.000 0.440 4774 A N 0.308 123.137 122.820 0.015 0.000 1.883 4774 A HA -0.143 4.177 4.320 0.000 0.000 0.217 4774 A C 2.189 179.780 177.584 0.013 0.000 1.186 4774 A CA 2.100 54.146 52.037 0.016 0.000 0.624 4774 A CB -0.985 18.026 19.000 0.018 0.000 0.822 4774 A HN 0.327 nan 8.150 nan 0.000 0.444 4775 V N -2.308 117.612 119.914 0.011 0.000 3.041 4775 V HA -0.078 4.043 4.120 0.000 0.000 0.260 4775 V C 1.853 177.951 176.094 0.007 0.000 1.105 4775 V CA 2.184 64.489 62.300 0.009 0.000 1.125 4775 V CB -0.669 31.159 31.823 0.007 0.000 0.730 4775 V HN 0.422 nan 8.190 nan 0.000 0.479 4776 D N 1.354 121.758 120.400 0.007 0.000 2.123 4776 D HA -0.196 4.444 4.640 0.000 0.000 0.196 4776 D C 1.815 178.119 176.300 0.006 0.000 0.992 4776 D CA 1.908 55.911 54.000 0.005 0.000 0.833 4776 D CB -0.167 40.636 40.800 0.005 0.000 0.954 4776 D HN 0.554 nan 8.370 nan 0.000 0.455 4777 D N -0.489 119.916 120.400 0.008 0.000 2.183 4777 D HA 0.017 4.657 4.640 0.000 0.000 0.205 4777 D C 1.952 178.258 176.300 0.009 0.000 0.962 4777 D CA 0.968 54.974 54.000 0.009 0.000 0.849 4777 D CB -0.184 40.623 40.800 0.011 0.000 0.978 4777 D HN 0.245 nan 8.370 nan 0.000 0.488 4778 A N 1.060 123.886 122.820 0.010 0.000 1.877 4778 A HA -0.135 4.185 4.320 0.000 0.000 0.216 4778 A C 2.385 179.973 177.584 0.007 0.000 1.186 4778 A CA 1.182 53.224 52.037 0.009 0.000 0.620 4778 A CB -0.879 18.127 19.000 0.009 0.000 0.822 4778 A HN 0.169 nan 8.150 nan 0.000 0.443 4779 V N -0.060 119.857 119.914 0.006 0.000 2.759 4779 V HA -0.060 4.061 4.120 0.000 0.000 0.256 4779 V C 2.315 178.412 176.094 0.004 0.000 1.080 4779 V CA 2.058 64.361 62.300 0.005 0.000 1.101 4779 V CB -0.651 31.174 31.823 0.003 0.000 0.698 4779 V HN 0.571 nan 8.190 nan 0.000 0.477 4780 G N -0.117 108.686 108.800 0.005 0.000 2.394 4780 G HA2 -0.178 3.782 3.960 0.000 0.000 0.214 4780 G HA3 -0.178 3.782 3.960 0.000 0.000 0.214 4780 G C 1.626 176.529 174.900 0.006 0.000 1.176 4780 G CA 1.364 46.467 45.100 0.005 0.000 0.786 4780 G HN 0.670 nan 8.290 nan 0.000 0.533 4781 V N -1.281 118.637 119.914 0.007 0.000 2.871 4781 V HA 0.023 4.144 4.120 0.000 0.000 0.256 4781 V C 2.584 178.682 176.094 0.007 0.000 1.082 4781 V CA 1.146 63.450 62.300 0.008 0.000 1.105 4781 V CB -0.303 31.526 31.823 0.009 0.000 0.713 4781 V HN 0.118 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 0.003 4.123 4.120 0.000 0.000 0.245 4782 V C 2.902 178.999 176.094 0.005 0.000 1.044 4782 V CA 2.114 64.417 62.300 0.005 0.000 1.036 4782 V CB -1.264 30.562 31.823 0.005 0.000 0.664 4782 V HN 0.604 nan 8.190 nan 0.000 0.453 4783 G N -1.069 107.734 108.800 0.005 0.000 2.418 4783 G HA2 -0.259 3.702 3.960 0.000 0.000 0.217 4783 G HA3 -0.259 3.702 3.960 0.000 0.000 0.217 4783 G C 1.731 176.634 174.900 0.005 0.000 1.158 4783 G CA 1.343 46.446 45.100 0.004 0.000 0.771 4783 G HN 0.529 nan 8.290 nan 0.000 0.545 4784 C N 0.520 119.824 119.300 0.006 0.000 2.429 4784 C HA -0.006 4.455 4.460 0.000 0.000 0.277 4784 C C 3.218 178.212 174.990 0.007 0.000 1.262 4784 C CA 1.495 60.517 59.018 0.006 0.000 1.733 4784 C CB -0.981 26.763 27.740 0.007 0.000 2.010 4784 C HN 0.430 nan 8.230 nan 0.000 0.483 4785 T N 1.188 115.746 114.554 0.007 0.000 2.867 4785 T HA -0.045 4.305 4.350 0.000 0.000 0.268 4785 T C 1.571 176.274 174.700 0.006 0.000 1.057 4785 T CA 1.170 63.273 62.100 0.006 0.000 1.136 4785 T CB -0.224 68.647 68.868 0.006 0.000 0.874 4785 T HN 0.507 nan 8.240 nan 0.000 0.466 4786 I N 0.625 121.198 120.570 0.005 0.000 2.406 4786 I HA -0.060 4.110 4.170 0.000 0.000 0.249 4786 I C 2.502 178.621 176.117 0.004 0.000 1.122 4786 I CA 1.196 62.499 61.300 0.004 0.000 1.431 4786 I CB -0.211 37.791 38.000 0.004 0.000 1.087 4786 I HN 0.262 nan 8.210 nan 0.000 0.424 4787 E N -0.223 119.980 120.200 0.005 0.000 2.230 4787 E HA -0.113 4.237 4.350 0.000 0.000 0.192 4787 E C 0.259 176.862 176.600 0.006 0.000 0.987 4787 E CA 0.507 56.910 56.400 0.005 0.000 0.841 4787 E CB 0.259 29.961 29.700 0.005 0.000 0.783 4787 E HN 0.197 nan 8.360 nan 0.000 0.481 4788 D N -0.637 119.767 120.400 0.006 0.000 2.473 4788 D HA 0.136 4.777 4.640 0.000 0.000 0.253 4788 D C 0.086 176.390 176.300 0.007 0.000 1.233 4788 D CA -0.493 53.512 54.000 0.007 0.000 0.908 4788 D CB 1.362 42.167 40.800 0.009 0.000 1.170 4788 D HN 0.029 nan 8.370 nan 0.000 0.558 4789 G N 3.412 112.216 108.800 0.007 0.000 3.327 4789 G HA2 0.024 3.984 3.960 0.000 0.000 0.240 4789 G HA3 0.024 3.984 3.960 0.000 0.000 0.240 4789 G C 0.471 175.376 174.900 0.008 0.000 1.222 4789 G CA -0.257 44.847 45.100 0.007 0.000 0.871 4789 G HN 0.168 nan 8.290 nan 0.000 0.525 4790 R N 0.606 121.112 120.500 0.010 0.000 2.387 4790 R HA 0.561 4.901 4.340 0.000 0.000 0.314 4790 R C -0.146 176.161 176.300 0.012 0.000 0.958 4790 R CA -0.577 55.530 56.100 0.011 0.000 0.846 4790 R CB 1.513 31.821 30.300 0.013 0.000 1.147 4790 R HN 0.403 nan 8.270 nan 0.000 0.447 4791 I N -1.136 119.441 120.570 0.012 0.000 3.042 4791 I HA 0.800 4.970 4.170 0.000 0.000 0.310 4791 I C -0.154 175.972 176.117 0.016 0.000 1.117 4791 I CA -1.322 59.986 61.300 0.013 0.000 1.003 4791 I CB 2.450 40.457 38.000 0.012 0.000 1.228 4791 I HN 0.291 nan 8.210 nan 0.000 0.443 4792 V N -0.307 119.617 119.914 0.017 0.000 3.130 4792 V HA 0.689 4.809 4.120 0.000 0.000 0.310 4792 V C 0.109 176.216 176.094 0.022 0.000 1.158 4792 V CA -0.532 61.780 62.300 0.021 0.000 1.029 4792 V CB 1.239 33.076 31.823 0.023 0.000 1.057 4792 V HN 1.040 nan 8.190 nan 0.000 0.436 4793 S N 1.298 117.015 115.700 0.027 0.000 2.562 4793 S HA 0.653 5.123 4.470 0.000 0.000 0.281 4793 S C 0.486 175.105 174.600 0.032 0.000 1.333 4793 S CA 0.194 58.412 58.200 0.031 0.000 1.052 4793 S CB 0.725 63.947 63.200 0.037 0.000 0.884 4793 S HN 1.837 nan 8.310 nan 0.000 0.506 4794 G N 0.361 109.180 108.800 0.032 0.000 2.641 4794 G HA2 0.570 4.531 3.960 0.000 0.000 0.239 4794 G HA3 0.570 4.531 3.960 0.000 0.000 0.239 4794 G C 0.843 175.763 174.900 0.034 0.000 1.402 4794 G CA -0.594 44.524 45.100 0.030 0.000 1.046 4794 G HN 2.041 nan 8.290 nan 0.000 0.565 4795 G N -2.115 106.704 108.800 0.031 0.000 2.160 4795 G HA2 0.252 4.213 3.960 0.000 0.000 0.251 4795 G HA3 0.252 4.213 3.960 0.000 0.000 0.251 4795 G C 1.438 176.343 174.900 0.009 0.000 1.008 4795 G CA 1.102 46.218 45.100 0.028 0.000 0.724 4795 G HN 2.495 nan 8.290 nan 0.000 0.514 4796 G N -1.320 107.476 108.800 -0.006 0.000 2.159 4796 G HA2 -0.111 3.849 3.960 0.000 0.000 0.256 4796 G HA3 -0.111 3.849 3.960 0.000 0.000 0.256 4796 G C 1.511 176.384 174.900 -0.045 0.000 0.977 4796 G CA 1.698 46.778 45.100 -0.034 0.000 0.652 4796 G HN 2.012 nan 8.290 nan 0.000 0.531 4797 S N 0.043 115.746 115.700 0.005 0.000 2.368 4797 S HA -0.164 4.307 4.470 0.000 0.000 0.225 4797 S C 2.778 177.389 174.600 0.018 0.000 1.030 4797 S CA 2.758 60.991 58.200 0.055 0.000 0.999 4797 S CB -0.546 62.727 63.200 0.123 0.000 0.844 4797 S HN 1.393 nan 8.310 nan 0.000 0.459 4798 T N -0.429 114.129 114.554 0.006 0.000 2.668 4798 T HA -0.030 4.320 4.350 0.000 0.000 0.262 4798 T C 1.632 176.301 174.700 -0.052 0.000 1.045 4798 T CA 1.511 63.611 62.100 -0.000 0.000 1.152 4798 T CB -0.905 67.964 68.868 0.003 0.000 0.864 4798 T HN 0.334 nan 8.240 nan 0.000 0.419 4799 E N 0.922 121.076 120.200 -0.075 0.000 2.171 4799 E HA -0.055 4.296 4.350 0.000 0.000 0.197 4799 E C 2.271 178.779 176.600 -0.153 0.000 0.997 4799 E CA 0.861 57.196 56.400 -0.108 0.000 0.810 4799 E CB -0.772 28.861 29.700 -0.111 0.000 0.738 4799 E HN 0.449 nan 8.360 nan 0.000 0.467 4800 V N 0.379 120.159 119.914 -0.223 0.000 2.453 4800 V HA -0.181 3.940 4.120 0.000 0.000 0.247 4800 V C 2.233 178.089 176.094 -0.397 0.000 1.048 4800 V CA 1.691 63.774 62.300 -0.361 0.000 1.049 4800 V CB -0.365 31.118 31.823 -0.566 0.000 0.672 4800 V HN 0.198 nan 8.190 nan 0.000 0.457 4801 E N 0.712 120.719 120.200 -0.322 0.000 2.110 4801 E HA -0.177 4.173 4.350 0.000 0.000 0.193 4801 E C 2.012 178.582 176.600 -0.050 0.000 0.988 4801 E CA 1.476 57.866 56.400 -0.018 0.000 0.804 4801 E CB -0.393 29.394 29.700 0.145 0.000 0.745 4801 E HN 0.553 nan 8.360 nan 0.000 0.458 4802 L N -0.120 121.061 121.223 -0.070 0.000 2.056 4802 L HA -0.129 4.211 4.340 0.000 0.000 0.207 4802 L C 2.623 179.443 176.870 -0.082 0.000 1.078 4802 L CA 1.295 56.099 54.840 -0.061 0.000 0.749 4802 L CB -0.647 41.395 42.059 -0.027 0.000 0.901 4802 L HN 0.175 nan 8.230 nan 0.000 0.433 4803 S N -0.298 115.342 115.700 -0.099 0.000 2.370 4803 S HA -0.217 4.253 4.470 0.000 0.000 0.226 4803 S C 2.132 176.681 174.600 -0.086 0.000 1.033 4803 S CA 1.317 59.463 58.200 -0.090 0.000 1.011 4803 S CB -0.016 63.120 63.200 -0.107 0.000 0.852 4803 S HN 0.213 nan 8.310 nan 0.000 0.457 4804 M N 0.983 120.529 119.600 -0.091 0.000 2.067 4804 M HA 0.013 4.494 4.480 0.000 0.000 0.260 4804 M C 2.162 178.387 176.300 -0.124 0.000 1.069 4804 M CA 1.495 56.754 55.300 -0.068 0.000 1.117 4804 M CB -1.116 31.477 32.600 -0.011 0.000 1.334 4804 M HN 0.240 nan 8.290 nan 0.000 0.407 4805 K N 0.329 120.608 120.400 -0.202 0.000 2.116 4805 K HA 0.085 4.406 4.320 0.000 0.000 0.203 4805 K C 2.075 178.218 176.600 -0.761 0.000 1.052 4805 K CA 0.865 56.883 56.287 -0.449 0.000 0.952 4805 K CB -0.439 31.793 32.500 -0.446 0.000 0.729 4805 K HN 0.374 nan 8.250 nan 0.000 0.446 4806 L N 0.294 121.263 121.223 -0.424 0.000 2.313 4806 L HA -0.027 4.314 4.340 0.000 0.000 0.214 4806 L C 2.405 179.247 176.870 -0.046 0.000 1.119 4806 L CA 0.618 55.331 54.840 -0.211 0.000 0.809 4806 L CB -0.204 41.857 42.059 0.004 0.000 0.933 4806 L HN 0.098 nan 8.230 nan 0.000 0.449 4807 R N 0.195 120.656 120.500 -0.065 0.000 2.092 4807 R HA -0.138 4.202 4.340 0.000 0.000 0.231 4807 R C 2.067 178.380 176.300 0.022 0.000 1.119 4807 R CA 1.251 57.349 56.100 -0.005 0.000 0.970 4807 R CB -0.120 30.172 30.300 -0.014 0.000 0.864 4807 R HN 0.427 nan 8.270 nan 0.000 0.440 4808 E N -0.471 119.722 120.200 -0.012 0.000 2.107 4808 E HA -0.158 4.192 4.350 0.000 0.000 0.191 4808 E C 1.620 178.353 176.600 0.222 0.000 0.982 4808 E CA 0.843 57.285 56.400 0.070 0.000 0.809 4808 E CB 0.014 29.742 29.700 0.046 0.000 0.756 4808 E HN 0.323 nan 8.360 nan 0.000 0.459 4809 Y N 0.618 120.935 120.300 0.028 0.000 2.200 4809 Y HA -0.103 4.447 4.550 0.000 0.000 0.290 4809 Y C 2.416 178.330 175.900 0.024 0.000 1.137 4809 Y CA 0.626 58.740 58.100 0.024 0.000 1.163 4809 Y CB -1.135 37.340 38.460 0.025 0.000 0.988 4809 Y HN 0.030 nan 8.280 nan 0.000 0.518 4810 A N 0.278 123.217 122.820 0.199 0.000 1.908 4810 A HA -0.173 4.147 4.320 0.000 0.000 0.218 4810 A C 2.182 179.819 177.584 0.089 0.000 1.181 4810 A CA 1.732 53.842 52.037 0.121 0.000 0.627 4810 A CB -0.444 18.616 19.000 0.100 0.000 0.818 4810 A HN 0.328 nan 8.150 nan 0.000 0.445 4811 E N -0.504 119.749 120.200 0.088 0.000 2.110 4811 E HA -0.129 4.222 4.350 0.000 0.000 0.193 4811 E C 2.154 178.790 176.600 0.059 0.000 0.988 4811 E CA 1.158 57.597 56.400 0.065 0.000 0.804 4811 E CB -0.646 29.090 29.700 0.060 0.000 0.745 4811 E HN 0.599 nan 8.360 nan 0.000 0.458 4812 G N 1.063 109.908 108.800 0.074 0.000 2.403 4812 G HA2 -0.164 3.797 3.960 0.000 0.000 0.216 4812 G HA3 -0.164 3.797 3.960 0.000 0.000 0.216 4812 G C 1.758 176.674 174.900 0.027 0.000 1.154 4812 G CA 0.308 45.436 45.100 0.046 0.000 0.784 4812 G HN 0.156 nan 8.290 nan 0.000 0.538 4813 I N -0.111 120.481 120.570 0.037 0.000 2.202 4813 I HA -0.031 4.139 4.170 0.000 0.000 0.242 4813 I C 1.754 177.883 176.117 0.021 0.000 1.091 4813 I CA 0.825 62.139 61.300 0.023 0.000 1.368 4813 I CB -0.309 37.712 38.000 0.036 0.000 1.058 4813 I HN 0.321 nan 8.210 nan 0.000 0.410 4814 S N -1.179 114.539 115.700 0.030 0.000 3.513 4814 S HA -0.130 4.340 4.470 0.000 0.000 0.636 4814 S C 0.508 175.120 174.600 0.020 0.000 2.452 4814 S CA 0.836 59.051 58.200 0.025 0.000 2.644 4814 S CB -1.397 61.814 63.200 0.018 0.000 0.331 4814 S HN 1.409 nan 8.310 nan 0.000 1.787 4815 G N 0.754 109.564 108.800 0.016 0.000 2.552 4815 G HA2 -0.298 3.662 3.960 0.000 0.000 0.265 4815 G HA3 -0.298 3.662 3.960 0.000 0.000 0.265 4815 G C 0.321 175.231 174.900 0.016 0.000 1.234 4815 G CA 0.971 46.078 45.100 0.012 0.000 0.944 4815 G HN 1.111 nan 8.290 nan 0.000 0.568 4816 R N 0.501 121.009 120.500 0.013 0.000 2.210 4816 R HA 0.146 4.486 4.340 0.000 0.000 0.203 4816 R C 2.488 178.800 176.300 0.021 0.000 1.010 4816 R CA 1.103 57.213 56.100 0.017 0.000 1.008 4816 R CB -0.065 30.243 30.300 0.013 0.000 0.923 4816 R HN 0.707 nan 8.270 nan 0.000 0.469 4817 E N 1.191 121.401 120.200 0.017 0.000 2.160 4817 E HA -0.260 4.090 4.350 0.000 0.000 0.195 4817 E C 1.869 178.495 176.600 0.043 0.000 0.991 4817 E CA 1.536 57.948 56.400 0.020 0.000 0.810 4817 E CB 0.045 29.752 29.700 0.011 0.000 0.742 4817 E HN 0.379 nan 8.360 nan 0.000 0.466 4818 Q N 0.812 120.639 119.800 0.045 0.000 2.291 4818 Q HA -0.112 4.228 4.340 0.000 0.000 0.205 4818 Q C 1.936 177.980 176.000 0.073 0.000 0.970 4818 Q CA 1.103 56.943 55.803 0.061 0.000 0.876 4818 Q CB -0.356 28.413 28.738 0.052 0.000 0.935 4818 Q HN 0.299 nan 8.270 nan 0.000 0.455 4819 L N -0.326 120.935 121.223 0.063 0.000 2.072 4819 L HA 0.028 4.368 4.340 0.000 0.000 0.205 4819 L C 2.286 179.217 176.870 0.102 0.000 1.079 4819 L CA 1.106 55.987 54.840 0.069 0.000 0.752 4819 L CB -0.479 41.609 42.059 0.048 0.000 0.906 4819 L HN 0.438 nan 8.230 nan 0.000 0.436 4820 A N -0.778 122.103 122.820 0.101 0.000 1.930 4820 A HA -0.150 4.170 4.320 0.000 0.000 0.217 4820 A C 2.142 179.912 177.584 0.310 0.000 1.175 4820 A CA 1.718 53.852 52.037 0.162 0.000 0.627 4820 A CB -0.752 18.268 19.000 0.034 0.000 0.815 4820 A HN 0.295 nan 8.150 nan 0.000 0.443 4821 V N -0.088 119.952 119.914 0.210 0.000 2.427 4821 V HA -0.194 3.926 4.120 0.000 0.000 0.248 4821 V C 2.636 178.859 176.094 0.214 0.000 1.051 4821 V CA 2.206 64.632 62.300 0.210 0.000 1.048 4821 V CB -0.783 31.120 31.823 0.135 0.000 0.666 4821 V HN 0.616 nan 8.190 nan 0.000 0.456 4822 R N 1.209 121.804 120.500 0.158 0.000 2.081 4822 R HA -0.070 4.270 4.340 0.000 0.000 0.235 4822 R C 2.150 178.521 176.300 0.119 0.000 1.131 4822 R CA 1.878 58.048 56.100 0.115 0.000 0.960 4822 R CB -0.912 29.437 30.300 0.081 0.000 0.856 4822 R HN 0.434 nan 8.270 nan 0.000 0.436 4823 A N -0.472 122.445 122.820 0.162 0.000 1.898 4823 A HA -0.122 4.198 4.320 0.000 0.000 0.216 4823 A C 2.163 179.827 177.584 0.133 0.000 1.181 4823 A CA 1.360 53.490 52.037 0.156 0.000 0.620 4823 A CB -0.840 18.291 19.000 0.218 0.000 0.819 4823 A HN 0.479 nan 8.150 nan 0.000 0.442 4824 F N 0.922 120.892 119.950 0.034 0.000 2.102 4824 F HA -0.062 4.465 4.527 0.000 0.000 0.298 4824 F C 2.546 178.280 175.800 -0.109 0.000 1.105 4824 F CA 1.390 59.291 58.000 -0.164 0.000 1.239 4824 F CB -0.375 38.492 39.000 -0.221 0.000 0.991 4824 F HN 0.246 nan 8.300 nan 0.000 0.474 4825 A N -0.115 122.783 122.820 0.130 0.000 1.902 4825 A HA -0.200 4.120 4.320 0.000 0.000 0.217 4825 A C 1.895 179.430 177.584 -0.081 0.000 1.181 4825 A CA 2.071 54.123 52.037 0.026 0.000 0.623 4825 A CB -0.967 18.076 19.000 0.071 0.000 0.818 4825 A HN 0.456 nan 8.150 nan 0.000 0.443 4826 D N -0.154 120.214 120.400 -0.054 0.000 2.183 4826 D HA 0.060 4.700 4.640 0.000 0.000 0.203 4826 D C 2.126 178.358 176.300 -0.113 0.000 0.969 4826 D CA 1.228 55.188 54.000 -0.066 0.000 0.842 4826 D CB -0.356 40.428 40.800 -0.026 0.000 0.957 4826 D HN 0.419 nan 8.370 nan 0.000 0.484 4827 A N 0.583 123.305 122.820 -0.163 0.000 2.019 4827 A HA -0.088 4.233 4.320 0.000 0.000 0.219 4827 A C 2.228 179.662 177.584 -0.250 0.000 1.164 4827 A CA 0.649 52.562 52.037 -0.207 0.000 0.644 4827 A CB -0.662 18.173 19.000 -0.274 0.000 0.805 4827 A HN 0.222 nan 8.150 nan 0.000 0.449 4828 L N -0.835 120.208 121.223 -0.300 0.000 2.265 4828 L HA -0.162 4.178 4.340 0.000 0.000 0.215 4828 L C 2.392 179.159 176.870 -0.172 0.000 1.117 4828 L CA 1.399 56.081 54.840 -0.263 0.000 0.782 4828 L CB -0.414 41.488 42.059 -0.262 0.000 0.914 4828 L HN 0.534 nan 8.230 nan 0.000 0.441 4829 E N -0.001 120.112 120.200 -0.145 0.000 2.338 4829 E HA -0.199 4.151 4.350 0.000 0.000 0.197 4829 E C 2.218 178.760 176.600 -0.097 0.000 1.007 4829 E CA 0.494 56.828 56.400 -0.111 0.000 0.849 4829 E CB 0.155 29.799 29.700 -0.093 0.000 0.774 4829 E HN 0.276 nan 8.360 nan 0.000 0.506 4830 V N 0.854 120.706 119.914 -0.103 0.000 2.568 4830 V HA -0.247 3.873 4.120 0.000 0.000 0.253 4830 V C 1.840 177.887 176.094 -0.078 0.000 1.072 4830 V CA 1.198 63.447 62.300 -0.086 0.000 1.084 4830 V CB -0.276 31.492 31.823 -0.090 0.000 0.676 4830 V HN 0.331 nan 8.190 nan 0.000 0.469 4831 I N 1.142 121.660 120.570 -0.086 0.000 2.162 4831 I HA -0.019 4.151 4.170 0.000 0.000 0.238 4831 I C 0.170 176.247 176.117 -0.065 0.000 1.076 4831 I CA 1.573 62.828 61.300 -0.074 0.000 1.353 4831 I CB -2.837 35.116 38.000 -0.077 0.000 1.063 4831 I HN 0.334 nan 8.210 nan 0.000 0.408 4832 P HA -0.163 nan 4.420 nan 0.000 0.220 4832 P C 1.739 179.007 177.300 -0.054 0.000 1.148 4832 P CA 1.470 64.535 63.100 -0.059 0.000 0.803 4832 P CB -0.132 31.529 31.700 -0.066 0.000 0.782 4833 R N -0.184 120.282 120.500 -0.057 0.000 2.062 4833 R HA -0.046 4.295 4.340 0.000 0.000 0.229 4833 R C 2.075 178.345 176.300 -0.048 0.000 1.128 4833 R CA 1.894 57.964 56.100 -0.050 0.000 0.960 4833 R CB -0.732 29.537 30.300 -0.051 0.000 0.855 4833 R HN 0.043 nan 8.270 nan 0.000 0.432 4834 T N 1.288 115.811 114.554 -0.052 0.000 2.904 4834 T HA -0.002 4.348 4.350 0.000 0.000 0.267 4834 T C 1.727 176.395 174.700 -0.053 0.000 1.059 4834 T CA 0.791 62.861 62.100 -0.050 0.000 1.137 4834 T CB -0.003 68.835 68.868 -0.050 0.000 0.879 4834 T HN 0.146 nan 8.240 nan 0.000 0.467 4835 L N 0.815 122.004 121.223 -0.056 0.000 2.046 4835 L HA -0.084 4.256 4.340 0.000 0.000 0.208 4835 L C 3.021 179.851 176.870 -0.066 0.000 1.077 4835 L CA 1.274 56.076 54.840 -0.063 0.000 0.747 4835 L CB -0.616 41.407 42.059 -0.059 0.000 0.896 4835 L HN 0.236 nan 8.230 nan 0.000 0.432 4836 A N -0.459 122.328 122.820 -0.055 0.000 1.930 4836 A HA -0.246 4.074 4.320 0.000 0.000 0.217 4836 A C 2.261 179.815 177.584 -0.049 0.000 1.175 4836 A CA 1.719 53.726 52.037 -0.050 0.000 0.627 4836 A CB -0.475 18.501 19.000 -0.040 0.000 0.815 4836 A HN 0.477 nan 8.150 nan 0.000 0.443 4837 E N 0.043 120.215 120.200 -0.046 0.000 2.058 4837 E HA -0.238 4.112 4.350 0.000 0.000 0.194 4837 E C 1.601 178.173 176.600 -0.047 0.000 0.997 4837 E CA 1.455 57.830 56.400 -0.042 0.000 0.801 4837 E CB -0.155 29.522 29.700 -0.040 0.000 0.746 4837 E HN 0.554 nan 8.360 nan 0.000 0.450 4838 N N 0.268 118.935 118.700 -0.054 0.000 2.244 4838 N HA -0.102 4.638 4.740 0.000 0.000 0.183 4838 N C 1.436 176.903 175.510 -0.072 0.000 1.016 4838 N CA 1.125 54.139 53.050 -0.060 0.000 0.866 4838 N CB -0.283 38.165 38.487 -0.065 0.000 0.980 4838 N HN 0.223 nan 8.380 nan 0.000 0.430 4839 A N 0.010 122.781 122.820 -0.081 0.000 2.119 4839 A HA 0.284 4.605 4.320 0.000 0.000 0.217 4839 A C 1.476 179.022 177.584 -0.065 0.000 1.153 4839 A CA 1.107 53.088 52.037 -0.093 0.000 0.692 4839 A CB -0.454 18.483 19.000 -0.104 0.000 0.799 4839 A HN 0.333 nan 8.150 nan 0.000 0.458 4840 G N -1.415 107.354 108.800 -0.051 0.000 2.149 4840 G HA2 -0.181 3.779 3.960 0.000 0.000 0.235 4840 G HA3 -0.181 3.779 3.960 0.000 0.000 0.235 4840 G C -0.063 174.818 174.900 -0.031 0.000 1.018 4840 G CA 0.272 45.349 45.100 -0.037 0.000 0.728 4840 G HN 0.447 nan 8.290 nan 0.000 0.508 4841 L N -0.061 121.141 121.223 -0.034 0.000 2.375 4841 L HA 0.518 4.858 4.340 0.000 0.000 0.268 4841 L C 0.272 177.127 176.870 -0.024 0.000 1.058 4841 L CA -1.069 53.754 54.840 -0.027 0.000 0.803 4841 L CB 1.055 43.096 42.059 -0.030 0.000 1.212 4841 L HN 0.081 nan 8.230 nan 0.000 0.451 4842 D N 1.122 121.510 120.400 -0.019 0.000 2.359 4842 D HA 0.188 4.829 4.640 0.000 0.000 0.250 4842 D C 0.808 177.096 176.300 -0.019 0.000 1.264 4842 D CA -0.011 53.979 54.000 -0.018 0.000 0.911 4842 D CB 1.636 42.428 40.800 -0.014 0.000 1.056 4842 D HN 0.599 nan 8.370 nan 0.000 0.499 4843 A N 4.636 127.442 122.820 -0.022 0.000 1.986 4843 A HA -0.188 4.132 4.320 0.000 0.000 0.220 4843 A C 2.255 179.826 177.584 -0.022 0.000 1.171 4843 A CA 0.964 52.986 52.037 -0.025 0.000 0.640 4843 A CB -0.391 18.592 19.000 -0.029 0.000 0.811 4843 A HN 0.747 nan 8.150 nan 0.000 0.451 4844 I N -0.923 119.636 120.570 -0.019 0.000 2.142 4844 I HA -0.253 3.917 4.170 0.000 0.000 0.240 4844 I C 2.583 178.692 176.117 -0.013 0.000 1.078 4844 I CA 1.837 63.127 61.300 -0.016 0.000 1.343 4844 I CB -0.350 37.642 38.000 -0.013 0.000 1.046 4844 I HN 0.524 nan 8.210 nan 0.000 0.405 4845 E N 1.229 121.422 120.200 -0.012 0.000 2.110 4845 E HA -0.222 4.128 4.350 0.000 0.000 0.193 4845 E C 2.297 178.892 176.600 -0.009 0.000 0.988 4845 E CA 1.195 57.590 56.400 -0.009 0.000 0.804 4845 E CB 0.196 29.892 29.700 -0.007 0.000 0.745 4845 E HN 0.309 nan 8.360 nan 0.000 0.458 4846 I N 0.753 121.315 120.570 -0.012 0.000 2.113 4846 I HA -0.243 3.928 4.170 0.000 0.000 0.238 4846 I C 2.393 178.502 176.117 -0.014 0.000 1.070 4846 I CA 0.873 62.166 61.300 -0.012 0.000 1.332 4846 I CB -1.086 36.903 38.000 -0.019 0.000 1.044 4846 I HN 0.257 nan 8.210 nan 0.000 0.402 4847 L N 0.124 121.335 121.223 -0.020 0.000 2.083 4847 L HA -0.140 4.200 4.340 0.000 0.000 0.209 4847 L C 2.545 179.404 176.870 -0.018 0.000 1.083 4847 L CA 1.278 56.103 54.840 -0.025 0.000 0.752 4847 L CB -1.000 41.041 42.059 -0.030 0.000 0.899 4847 L HN 0.003 nan 8.230 nan 0.000 0.433 4848 V N -0.906 119.001 119.914 -0.012 0.000 2.283 4848 V HA -0.236 3.884 4.120 0.000 0.000 0.243 4848 V C 2.401 178.495 176.094 0.001 0.000 1.039 4848 V CA 1.505 63.801 62.300 -0.006 0.000 1.016 4848 V CB -0.435 31.384 31.823 -0.005 0.000 0.650 4848 V HN 0.397 nan 8.190 nan 0.000 0.449 4849 K N -0.388 120.013 120.400 0.002 0.000 2.155 4849 K HA -0.053 4.267 4.320 0.000 0.000 0.203 4849 K C 2.015 178.625 176.600 0.016 0.000 1.052 4849 K CA 0.968 57.259 56.287 0.008 0.000 0.948 4849 K CB -0.145 32.359 32.500 0.006 0.000 0.728 4849 K HN 0.306 nan 8.250 nan 0.000 0.448 4850 V N 1.150 121.072 119.914 0.014 0.000 2.302 4850 V HA -0.179 3.942 4.120 0.000 0.000 0.243 4850 V C 2.372 178.494 176.094 0.047 0.000 1.036 4850 V CA 1.491 63.808 62.300 0.027 0.000 1.020 4850 V CB -0.404 31.424 31.823 0.008 0.000 0.657 4850 V HN 0.281 nan 8.190 nan 0.000 0.453 4851 R N 0.363 120.874 120.500 0.017 0.000 2.081 4851 R HA -0.170 4.170 4.340 0.000 0.000 0.235 4851 R C 2.257 178.591 176.300 0.057 0.000 1.131 4851 R CA 1.773 57.883 56.100 0.018 0.000 0.960 4851 R CB -0.447 29.843 30.300 -0.016 0.000 0.856 4851 R HN 0.479 nan 8.270 nan 0.000 0.436 4852 A N 0.627 123.469 122.820 0.037 0.000 1.898 4852 A HA -0.065 4.255 4.320 0.000 0.000 0.216 4852 A C 2.350 179.958 177.584 0.040 0.000 1.181 4852 A CA 1.593 53.650 52.037 0.033 0.000 0.620 4852 A CB -0.764 18.247 19.000 0.018 0.000 0.819 4852 A HN 0.538 nan 8.150 nan 0.000 0.442 4853 A N -1.195 121.652 122.820 0.044 0.000 1.969 4853 A HA -0.142 4.178 4.320 0.000 0.000 0.218 4853 A C 1.981 179.590 177.584 0.042 0.000 1.169 4853 A CA 2.013 54.071 52.037 0.036 0.000 0.635 4853 A CB -0.802 18.218 19.000 0.033 0.000 0.810 4853 A HN 0.777 nan 8.150 nan 0.000 0.445 4854 H N -0.276 118.789 119.070 -0.008 0.000 2.326 4854 H HA 0.082 4.639 4.556 0.001 0.000 0.301 4854 H C 2.208 177.529 175.328 -0.011 0.000 1.081 4854 H CA 1.878 57.920 56.048 -0.010 0.000 1.334 4854 H CB -0.148 29.606 29.762 -0.014 0.000 1.385 4854 H HN 0.390 nan 8.280 nan 0.000 0.504 4855 A N -0.715 122.171 122.820 0.111 0.000 1.933 4855 A HA -0.157 4.163 4.320 0.000 0.000 0.218 4855 A C 2.541 180.120 177.584 -0.009 0.000 1.175 4855 A CA 1.833 53.904 52.037 0.057 0.000 0.628 4855 A CB -0.956 18.082 19.000 0.064 0.000 0.814 4855 A HN 0.500 nan 8.150 nan 0.000 0.444 4856 S N -0.524 115.169 115.700 -0.011 0.000 2.356 4856 S HA -0.077 4.393 4.470 0.000 0.000 0.219 4856 S C 1.876 176.452 174.600 -0.040 0.000 1.036 4856 S CA 1.132 59.321 58.200 -0.018 0.000 0.965 4856 S CB -0.366 62.830 63.200 -0.007 0.000 0.864 4856 S HN 0.643 nan 8.310 nan 0.000 0.471 4857 N N 0.697 119.364 118.700 -0.055 0.000 2.368 4857 N HA 0.247 4.987 4.740 0.000 0.000 0.176 4857 N C 1.003 176.448 175.510 -0.108 0.000 1.021 4857 N CA 0.944 53.955 53.050 -0.065 0.000 0.888 4857 N CB 0.591 39.050 38.487 -0.048 0.000 0.995 4857 N HN 0.577 nan 8.380 nan 0.000 0.437 4858 G N 1.171 109.851 108.800 -0.200 0.000 2.373 4858 G HA2 -0.213 3.747 3.960 0.000 0.000 0.634 4858 G HA3 -0.213 3.747 3.960 0.000 0.000 0.634 4858 G C -0.018 174.596 174.900 -0.478 0.000 1.267 4858 G CA 0.061 44.987 45.100 -0.290 0.000 1.008 4858 G HN 0.283 nan 8.290 nan 0.000 0.497 4859 N N -0.647 117.836 118.700 -0.362 0.000 2.405 4859 N HA 0.063 4.803 4.740 0.000 0.000 0.175 4859 N C 1.251 176.740 175.510 -0.036 0.000 1.051 4859 N CA 1.262 54.193 53.050 -0.197 0.000 0.899 4859 N CB 0.146 38.636 38.487 0.005 0.000 1.000 4859 N HN 0.623 nan 8.380 nan 0.000 0.451 4860 K N -0.507 119.860 120.400 -0.054 0.000 2.414 4860 K HA 0.316 4.637 4.320 0.000 0.000 0.204 4860 K C -0.493 176.092 176.600 -0.025 0.000 1.026 4860 K CA -0.140 56.135 56.287 -0.020 0.000 1.108 4860 K CB 0.491 32.983 32.500 -0.014 0.000 0.855 4860 K HN 0.114 nan 8.250 nan 0.000 0.517 4861 C N 0.994 120.265 119.300 -0.048 0.000 2.887 4861 C HA 0.634 5.094 4.460 0.000 0.000 0.240 4861 C C 0.428 175.400 174.990 -0.030 0.000 1.872 4861 C CA -0.654 58.341 59.018 -0.038 0.000 1.626 4861 C CB -0.784 26.923 27.740 -0.054 0.000 3.115 4861 C HN 0.497 nan 8.230 nan 0.000 0.488 4862 A N -0.015 122.804 122.820 -0.000 0.000 5.519 4862 A HA 0.940 5.260 4.320 0.000 0.000 0.158 4862 A C 0.169 177.791 177.584 0.064 0.000 0.860 4862 A CA 0.418 52.479 52.037 0.040 0.000 1.134 4862 A CB -0.395 18.645 19.000 0.067 0.000 2.248 4862 A HN 1.915 nan 8.150 nan 0.000 1.056 4863 G N -1.912 106.944 108.800 0.092 0.000 2.814 4863 G HA2 0.362 4.322 3.960 0.000 0.000 0.677 4863 G HA3 0.362 4.322 3.960 0.000 0.000 0.677 4863 G C -0.685 174.242 174.900 0.045 0.000 1.429 4863 G CA 0.009 45.149 45.100 0.068 0.000 0.868 4863 G HN 2.091 nan 8.290 nan 0.000 0.553 4864 L N 0.417 121.658 121.223 0.031 0.000 2.289 4864 L HA 0.754 5.094 4.340 0.000 0.000 0.285 4864 L C 0.182 177.074 176.870 0.038 0.000 1.049 4864 L CA -0.969 53.885 54.840 0.023 0.000 0.804 4864 L CB 1.545 43.605 42.059 0.001 0.000 1.195 4864 L HN 0.738 nan 8.230 nan 0.000 0.428 4865 N N 3.024 121.753 118.700 0.049 0.000 2.546 4865 N HA 0.223 4.963 4.740 0.000 0.000 0.238 4865 N C 0.805 176.352 175.510 0.061 0.000 0.984 4865 N CA -0.219 52.886 53.050 0.092 0.000 0.935 4865 N CB 1.139 39.692 38.487 0.110 0.000 1.122 4865 N HN 0.530 nan 8.380 nan 0.000 0.510 4866 V N 1.524 121.438 119.914 -0.000 0.000 2.970 4866 V HA -0.004 4.116 4.120 0.000 0.000 0.260 4866 V C 1.409 177.408 176.094 -0.159 0.000 1.100 4866 V CA 1.230 63.457 62.300 -0.123 0.000 1.122 4866 V CB -1.158 30.522 31.823 -0.239 0.000 0.721 4866 V HN 0.453 nan 8.190 nan 0.000 0.483 4867 F N 2.540 122.487 119.950 -0.004 0.000 2.259 4867 F HA -0.038 4.489 4.527 0.001 0.000 0.298 4867 F C 2.661 178.459 175.800 -0.003 0.000 1.088 4867 F CA 1.845 59.843 58.000 -0.003 0.000 1.358 4867 F CB -0.367 38.631 39.000 -0.002 0.000 1.040 4867 F HN 0.387 nan 8.300 nan 0.000 0.505 4868 T N -4.095 110.559 114.554 0.167 0.000 3.001 4868 T HA 0.377 4.727 4.350 0.000 0.000 0.251 4868 T C 1.476 176.203 174.700 0.046 0.000 1.040 4868 T CA 0.408 62.562 62.100 0.089 0.000 0.985 4868 T CB 0.320 69.233 68.868 0.074 0.000 1.011 4868 T HN 0.347 nan 8.240 nan 0.000 0.509 4869 G N 1.075 109.893 108.800 0.030 0.000 2.248 4869 G HA2 0.268 4.229 3.960 0.000 0.000 0.263 4869 G HA3 0.268 4.229 3.960 0.000 0.000 0.263 4869 G C 0.053 174.957 174.900 0.007 0.000 1.082 4869 G CA -0.227 44.875 45.100 0.003 0.000 0.863 4869 G HN 1.416 nan 8.290 nan 0.000 0.495 4870 A N -1.595 121.234 122.820 0.016 0.000 2.608 4870 A HA 0.875 5.195 4.320 0.000 0.000 0.292 4870 A C 0.021 177.618 177.584 0.021 0.000 1.066 4870 A CA 0.122 52.169 52.037 0.016 0.000 0.676 4870 A CB 1.481 20.491 19.000 0.018 0.000 1.277 4870 A HN 1.782 nan 8.150 nan 0.000 0.413 4871 V N 1.812 121.736 119.914 0.018 0.000 2.599 4871 V HA 0.400 4.521 4.120 0.000 0.000 0.300 4871 V C 0.008 176.117 176.094 0.026 0.000 1.034 4871 V CA 1.007 63.321 62.300 0.023 0.000 1.115 4871 V CB 0.453 32.288 31.823 0.021 0.000 0.934 4871 V HN 0.916 nan 8.190 nan 0.000 0.485 4872 E N 3.792 124.010 120.200 0.031 0.000 2.390 4872 E HA 0.376 4.726 4.350 0.000 0.000 0.242 4872 E C -1.449 175.166 176.600 0.026 0.000 0.907 4872 E CA -0.680 55.737 56.400 0.028 0.000 0.884 4872 E CB 0.856 30.577 29.700 0.036 0.000 1.788 4872 E HN 0.699 nan 8.360 nan 0.000 0.427 4873 D N 1.345 121.758 120.400 0.021 0.000 2.460 4873 D HA 0.182 4.822 4.640 0.000 0.000 0.232 4873 D C 0.811 177.123 176.300 0.021 0.000 1.079 4873 D CA -0.276 53.734 54.000 0.016 0.000 0.864 4873 D CB 0.694 41.498 40.800 0.007 0.000 1.048 4873 D HN 0.186 nan 8.370 nan 0.000 0.523 4874 M N 1.860 121.477 119.600 0.028 0.000 2.175 4874 M HA -0.120 4.360 4.480 0.000 0.000 0.264 4874 M C 2.304 178.617 176.300 0.020 0.000 1.063 4874 M CA 0.666 55.985 55.300 0.032 0.000 1.119 4874 M CB -1.125 31.499 32.600 0.040 0.000 1.377 4874 M HN 0.526 nan 8.290 nan 0.000 0.415 4875 C N 0.671 119.980 119.300 0.015 0.000 2.453 4875 C HA -0.157 4.303 4.460 0.000 0.000 0.277 4875 C C 2.700 177.692 174.990 0.003 0.000 1.262 4875 C CA 1.290 60.313 59.018 0.008 0.000 1.718 4875 C CB -0.891 26.851 27.740 0.004 0.000 2.031 4875 C HN 0.634 nan 8.230 nan 0.000 0.480 4876 E N 0.131 120.332 120.200 0.002 0.000 2.118 4876 E HA -0.197 4.153 4.350 0.000 0.000 0.195 4876 E C 1.340 177.937 176.600 -0.006 0.000 0.992 4876 E CA 1.294 57.692 56.400 -0.002 0.000 0.804 4876 E CB -0.181 29.517 29.700 -0.002 0.000 0.741 4876 E HN 0.659 nan 8.360 nan 0.000 0.458 4877 N N -0.457 118.240 118.700 -0.004 0.000 2.398 4877 N HA 0.013 4.753 4.740 0.000 0.000 0.188 4877 N C 0.680 176.180 175.510 -0.017 0.000 1.122 4877 N CA 0.889 53.931 53.050 -0.013 0.000 0.866 4877 N CB 1.023 39.504 38.487 -0.010 0.000 0.970 4877 N HN 0.322 nan 8.380 nan 0.000 0.462 4878 G N 0.618 109.413 108.800 -0.007 0.000 2.160 4878 G HA2 -0.259 3.701 3.960 0.000 0.000 0.251 4878 G HA3 -0.259 3.701 3.960 0.000 0.000 0.251 4878 G C 0.001 174.902 174.900 0.001 0.000 1.008 4878 G CA 0.017 45.114 45.100 -0.006 0.000 0.724 4878 G HN 0.191 nan 8.290 nan 0.000 0.514 4879 V N 1.388 121.309 119.914 0.011 0.000 2.276 4879 V HA 0.472 4.593 4.120 0.000 0.000 0.249 4879 V C 0.855 176.965 176.094 0.027 0.000 1.160 4879 V CA 0.174 62.490 62.300 0.027 0.000 1.042 4879 V CB 0.443 32.294 31.823 0.046 0.000 1.224 4879 V HN 1.041 nan 8.190 nan 0.000 0.496 4880 V N 1.523 121.450 119.914 0.022 0.000 2.962 4880 V HA 0.787 4.907 4.120 0.000 0.000 0.313 4880 V C -0.702 175.403 176.094 0.020 0.000 1.099 4880 V CA -0.876 61.436 62.300 0.020 0.000 0.971 4880 V CB 2.557 34.389 31.823 0.015 0.000 1.028 4880 V HN 0.629 nan 8.190 nan 0.000 0.430 4881 E N 2.303 122.514 120.200 0.018 0.000 2.293 4881 E HA 0.533 4.884 4.350 0.000 0.000 0.270 4881 E C -2.947 173.661 176.600 0.015 0.000 0.879 4881 E CA -2.246 54.164 56.400 0.017 0.000 0.756 4881 E CB 2.659 32.369 29.700 0.016 0.000 1.208 4881 E HN 0.572 nan 8.360 nan 0.000 0.428 4882 P HA -0.083 nan 4.420 nan 0.000 0.266 4882 P C 0.454 177.762 177.300 0.013 0.000 1.195 4882 P CA -0.092 63.015 63.100 0.012 0.000 0.768 4882 P CB 0.538 32.245 31.700 0.011 0.000 0.838 4883 L N 3.957 125.189 121.223 0.014 0.000 2.079 4883 L HA -0.168 4.172 4.340 0.000 0.000 0.210 4883 L C 2.281 179.161 176.870 0.016 0.000 1.081 4883 L CA 1.938 56.788 54.840 0.016 0.000 0.752 4883 L CB -0.843 41.226 42.059 0.017 0.000 0.896 4883 L HN 0.217 nan 8.230 nan 0.000 0.433 4884 R N -0.783 119.725 120.500 0.014 0.000 2.127 4884 R HA -0.126 4.214 4.340 0.000 0.000 0.238 4884 R C 2.010 178.318 176.300 0.013 0.000 1.134 4884 R CA 1.949 58.057 56.100 0.014 0.000 0.975 4884 R CB -1.008 29.299 30.300 0.012 0.000 0.865 4884 R HN 0.322 nan 8.270 nan 0.000 0.447 4885 V N 1.059 120.981 119.914 0.012 0.000 2.287 4885 V HA -0.262 3.858 4.120 0.000 0.000 0.248 4885 V C 2.139 178.239 176.094 0.010 0.000 1.053 4885 V CA 2.069 64.375 62.300 0.010 0.000 1.027 4885 V CB -0.406 31.422 31.823 0.009 0.000 0.646 4885 V HN 0.282 nan 8.190 nan 0.000 0.447 4886 K N 0.264 120.671 120.400 0.012 0.000 2.186 4886 K HA -0.034 4.286 4.320 0.000 0.000 0.202 4886 K C 2.267 178.880 176.600 0.021 0.000 1.052 4886 K CA 1.634 57.929 56.287 0.012 0.000 0.965 4886 K CB -0.683 31.825 32.500 0.014 0.000 0.746 4886 K HN 0.723 nan 8.250 nan 0.000 0.457 4887 T N -1.337 113.231 114.554 0.024 0.000 2.978 4887 T HA -0.080 4.270 4.350 0.000 0.000 0.262 4887 T C 2.017 176.734 174.700 0.028 0.000 1.063 4887 T CA 0.696 62.814 62.100 0.030 0.000 1.140 4887 T CB 0.088 68.972 68.868 0.026 0.000 0.886 4887 T HN -0.046 nan 8.240 nan 0.000 0.470 4888 Q N 1.900 121.713 119.800 0.022 0.000 2.083 4888 Q HA 0.266 4.606 4.340 0.000 0.000 0.198 4888 Q C 2.435 178.448 176.000 0.021 0.000 0.969 4888 Q CA 1.699 57.514 55.803 0.020 0.000 0.838 4888 Q CB -0.983 27.764 28.738 0.015 0.000 0.900 4888 Q HN 0.616 nan 8.270 nan 0.000 0.436 4889 A N 0.360 123.190 122.820 0.018 0.000 1.917 4889 A HA -0.191 4.129 4.320 0.000 0.000 0.219 4889 A C 2.121 179.722 177.584 0.028 0.000 1.182 4889 A CA 1.688 53.733 52.037 0.013 0.000 0.633 4889 A CB -0.810 18.191 19.000 0.001 0.000 0.819 4889 A HN 0.488 nan 8.150 nan 0.000 0.448 4890 I N -1.003 119.594 120.570 0.045 0.000 2.163 4890 I HA -0.256 3.915 4.170 0.000 0.000 0.240 4890 I C 2.848 179.009 176.117 0.074 0.000 1.081 4890 I CA 1.206 62.556 61.300 0.085 0.000 1.353 4890 I CB -0.400 37.660 38.000 0.100 0.000 1.054 4890 I HN 0.322 nan 8.210 nan 0.000 0.407 4891 Q N 0.549 120.380 119.800 0.050 0.000 2.002 4891 Q HA -0.178 4.163 4.340 0.000 0.000 0.204 4891 Q C 2.495 178.519 176.000 0.041 0.000 0.988 4891 Q CA 2.046 57.873 55.803 0.041 0.000 0.843 4891 Q CB -0.540 28.216 28.738 0.030 0.000 0.908 4891 Q HN 0.410 nan 8.270 nan 0.000 0.420 4892 S N 0.844 116.565 115.700 0.034 0.000 2.356 4892 S HA -0.130 4.340 4.470 0.000 0.000 0.223 4892 S C 1.974 176.596 174.600 0.037 0.000 1.032 4892 S CA 1.180 59.399 58.200 0.030 0.000 1.005 4892 S CB -0.309 62.904 63.200 0.022 0.000 0.867 4892 S HN 0.523 nan 8.310 nan 0.000 0.449 4893 A N 1.521 124.364 122.820 0.038 0.000 1.873 4893 A HA 0.139 4.460 4.320 0.000 0.000 0.215 4893 A C 2.357 179.983 177.584 0.070 0.000 1.186 4893 A CA 1.718 53.779 52.037 0.040 0.000 0.616 4893 A CB -1.127 17.885 19.000 0.020 0.000 0.823 4893 A HN 0.511 nan 8.150 nan 0.000 0.442 4894 A N -0.526 122.352 122.820 0.096 0.000 1.902 4894 A HA -0.127 4.193 4.320 0.000 0.000 0.217 4894 A C 1.940 179.588 177.584 0.106 0.000 1.181 4894 A CA 1.670 53.784 52.037 0.127 0.000 0.623 4894 A CB -0.405 18.664 19.000 0.115 0.000 0.818 4894 A HN 0.438 nan 8.150 nan 0.000 0.443 4895 E N -0.208 120.036 120.200 0.074 0.000 2.150 4895 E HA -0.113 4.237 4.350 0.000 0.000 0.193 4895 E C 2.293 178.928 176.600 0.059 0.000 0.985 4895 E CA 1.190 57.626 56.400 0.060 0.000 0.814 4895 E CB -0.493 29.232 29.700 0.043 0.000 0.752 4895 E HN 0.556 nan 8.360 nan 0.000 0.466 4896 S N 0.431 116.165 115.700 0.057 0.000 2.355 4896 S HA -0.126 4.344 4.470 0.000 0.000 0.222 4896 S C 2.193 176.831 174.600 0.062 0.000 1.031 4896 S CA 2.151 60.381 58.200 0.050 0.000 0.993 4896 S CB -0.285 62.939 63.200 0.039 0.000 0.859 4896 S HN 0.464 nan 8.310 nan 0.000 0.453 4897 T N -0.719 113.885 114.554 0.083 0.000 2.904 4897 T HA 0.040 4.391 4.350 0.000 0.000 0.267 4897 T C 1.737 176.511 174.700 0.123 0.000 1.059 4897 T CA 1.357 63.522 62.100 0.107 0.000 1.137 4897 T CB -0.501 68.456 68.868 0.148 0.000 0.879 4897 T HN 0.606 nan 8.240 nan 0.000 0.467 4898 E N 0.782 121.059 120.200 0.127 0.000 2.051 4898 E HA -0.165 4.185 4.350 0.000 0.000 0.192 4898 E C 2.253 178.890 176.600 0.062 0.000 0.991 4898 E CA 1.163 57.623 56.400 0.101 0.000 0.799 4898 E CB -0.301 29.456 29.700 0.094 0.000 0.748 4898 E HN 0.581 nan 8.360 nan 0.000 0.449 4899 M N 0.488 120.121 119.600 0.056 0.000 2.080 4899 M HA -0.202 4.278 4.480 0.000 0.000 0.260 4899 M C 2.170 178.495 176.300 0.041 0.000 1.068 4899 M CA 1.497 56.822 55.300 0.042 0.000 1.109 4899 M CB -0.073 32.550 32.600 0.039 0.000 1.342 4899 M HN 0.206 nan 8.290 nan 0.000 0.405 4900 L N 0.148 121.399 121.223 0.048 0.000 2.042 4900 L HA -0.252 4.088 4.340 0.000 0.000 0.210 4900 L C 2.360 179.253 176.870 0.038 0.000 1.076 4900 L CA 1.216 56.083 54.840 0.046 0.000 0.749 4900 L CB -0.727 41.360 42.059 0.045 0.000 0.893 4900 L HN 0.416 nan 8.230 nan 0.000 0.432 4901 L N -0.729 120.517 121.223 0.038 0.000 2.191 4901 L HA -0.184 4.156 4.340 0.000 0.000 0.212 4901 L C 2.685 179.560 176.870 0.008 0.000 1.103 4901 L CA 1.045 55.897 54.840 0.019 0.000 0.769 4901 L CB -0.419 41.648 42.059 0.013 0.000 0.908 4901 L HN 0.218 nan 8.230 nan 0.000 0.438 4902 R N -0.336 120.174 120.500 0.017 0.000 2.189 4902 R HA -0.001 4.340 4.340 0.000 0.000 0.218 4902 R C 0.195 176.504 176.300 0.014 0.000 1.074 4902 R CA 0.405 56.514 56.100 0.015 0.000 0.991 4902 R CB -0.073 30.239 30.300 0.021 0.000 0.883 4902 R HN 0.151 nan 8.270 nan 0.000 0.457 4903 I N 2.153 122.735 120.570 0.020 0.000 2.416 4903 I HA -0.053 4.118 4.170 0.000 0.000 0.288 4903 I C 0.591 176.721 176.117 0.021 0.000 1.051 4903 I CA 0.216 61.530 61.300 0.023 0.000 1.375 4903 I CB 1.233 39.252 38.000 0.032 0.000 1.407 4903 I HN 0.113 nan 8.210 nan 0.000 0.516 4904 D N 2.479 122.890 120.400 0.018 0.000 2.500 4904 D HA 0.145 4.785 4.640 0.000 0.000 0.217 4904 D C -0.263 176.055 176.300 0.030 0.000 1.159 4904 D CA -0.002 54.008 54.000 0.016 0.000 0.828 4904 D CB 0.313 41.113 40.800 -0.000 0.000 1.039 4904 D HN 0.342 nan 8.370 nan 0.000 0.512 4905 D N 0.145 120.567 120.400 0.036 0.000 2.738 4905 D HA 0.247 4.888 4.640 0.000 0.000 0.218 4905 D C -1.657 174.671 176.300 0.046 0.000 1.345 4905 D CA -0.522 53.504 54.000 0.044 0.000 0.943 4905 D CB 2.021 42.837 40.800 0.027 0.000 1.514 4905 D HN -0.183 nan 8.370 nan 0.000 0.585 4906 V N 5.163 125.120 119.914 0.073 0.000 2.378 4906 V HA 0.513 4.634 4.120 0.000 0.000 0.288 4906 V C 0.241 176.379 176.094 0.073 0.000 1.016 4906 V CA -0.572 61.766 62.300 0.063 0.000 0.840 4906 V CB 1.423 33.284 31.823 0.063 0.000 0.994 4906 V HN 0.498 nan 8.190 nan 0.000 0.431 4907 I N 4.581 125.173 120.570 0.036 0.000 2.390 4907 I HA 0.700 4.870 4.170 0.000 0.000 0.283 4907 I C 0.218 176.344 176.117 0.015 0.000 1.016 4907 I CA -0.399 60.916 61.300 0.026 0.000 1.151 4907 I CB 1.614 39.622 38.000 0.012 0.000 1.293 4907 I HN 0.655 nan 8.210 nan 0.000 0.458 4908 A N 5.337 128.171 122.820 0.023 0.000 2.304 4908 A HA 0.857 5.177 4.320 0.000 0.000 0.314 4908 A C 0.002 177.592 177.584 0.010 0.000 1.187 4908 A CA -0.515 51.527 52.037 0.009 0.000 0.810 4908 A CB 1.103 20.106 19.000 0.005 0.000 1.183 4908 A HN 0.752 nan 8.150 nan 0.000 0.487 4909 A N 2.046 124.867 122.820 0.002 0.000 2.351 4909 A HA 0.547 4.867 4.320 0.000 0.000 0.257 4909 A C 0.490 178.076 177.584 0.004 0.000 1.087 4909 A CA -0.097 51.941 52.037 0.002 0.000 0.798 4909 A CB 0.125 19.125 19.000 -0.000 0.000 1.033 4909 A HN 0.925 nan 8.150 nan 0.000 0.488 4910 E N 0.000 120.203 120.200 0.004 0.000 2.725 4910 E HA 0.000 4.350 4.350 0.000 0.000 0.291 4910 E CA 0.000 56.404 56.400 0.006 0.000 0.976 4910 E CB 0.000 29.703 29.700 0.006 0.000 0.812 4910 E HN 0.000 nan 8.360 nan 0.000 0.440