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_L DATA FIRST_RESID 5402 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEETASEM LKDMVAEIKA DATA SEQUENCE SGANVLFCQK GIDDLAQHYL AKEGIVAARR VKKSDMEKLA KATGANVIAA DATA SEQUENCE IAALSAQDLG DAGLVEERKI SGDSMIFVEE CKHPKAVTML IRGTTEHVIE DATA SEQUENCE EVARAVDDAV GVVGCTIEDG RIVSGGGSTE VELSMKLREY AEGISGREQL DATA SEQUENCE AVRAFADALE VIPRTLAENA GLDAIEILVK VRAAHASNGN KCAGLNVFTG DATA SEQUENCE AVEDMCENGV VEPLRVKTQA IQSAAESTEM LLRIDDVIAA E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5402 V HA 0.000 nan 4.120 nan 0.000 0.244 5402 V C 0.000 176.090 176.094 -0.006 0.000 1.182 5402 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 5402 V CB 0.000 31.820 31.823 -0.006 0.000 1.184 5403 L N 2.400 123.619 121.223 -0.008 0.000 2.325 5403 L HA 0.580 4.920 4.340 0.000 0.000 0.279 5403 L C -2.173 174.692 176.870 -0.008 0.000 1.054 5403 L CA -1.553 53.282 54.840 -0.008 0.000 0.804 5403 L CB 0.747 42.800 42.059 -0.010 0.000 1.200 5403 L HN 0.140 nan 8.230 nan 0.000 0.436 5404 P HA 0.020 nan 4.420 nan 0.000 0.266 5404 P C -0.534 176.761 177.300 -0.009 0.000 1.195 5404 P CA -0.254 62.842 63.100 -0.006 0.000 0.768 5404 P CB 0.459 32.156 31.700 -0.005 0.000 0.838 5405 E N 2.542 122.737 120.200 -0.009 0.000 2.376 5405 E HA -0.040 4.310 4.350 0.000 0.000 0.266 5405 E C 0.136 176.731 176.600 -0.009 0.000 1.009 5405 E CA 0.092 56.486 56.400 -0.010 0.000 0.902 5405 E CB 0.032 29.727 29.700 -0.009 0.000 0.972 5405 E HN 0.375 nan 8.360 nan 0.000 0.439 5406 N N 1.902 120.596 118.700 -0.010 0.000 2.990 5406 N HA -0.189 4.552 4.740 0.000 0.000 0.163 5406 N C -0.152 175.356 175.510 -0.004 0.000 1.452 5406 N CA 0.736 53.783 53.050 -0.006 0.000 1.624 5406 N CB -1.226 37.259 38.487 -0.002 0.000 1.088 5406 N HN 0.590 nan 8.380 nan 0.000 0.695 5407 M N 2.752 122.348 119.600 -0.007 0.000 2.249 5407 M HA 0.063 4.543 4.480 0.000 0.000 0.340 5407 M C 0.237 176.528 176.300 -0.015 0.000 1.166 5407 M CA 0.480 55.777 55.300 -0.006 0.000 1.115 5407 M CB 0.438 33.034 32.600 -0.007 0.000 1.606 5407 M HN 0.108 nan 8.290 nan 0.000 0.448 5408 K N 4.700 125.098 120.400 -0.003 0.000 2.259 5408 K HA 0.685 5.005 4.320 0.000 0.000 0.249 5408 K C -1.237 175.353 176.600 -0.017 0.000 0.942 5408 K CA -1.053 55.221 56.287 -0.023 0.000 0.816 5408 K CB 2.247 34.771 32.500 0.040 0.000 1.155 5408 K HN 0.787 nan 8.250 nan 0.000 0.428 5409 R N 2.259 122.685 120.500 -0.125 0.000 2.548 5409 R HA 0.316 4.656 4.340 0.000 0.000 0.280 5409 R C -1.813 174.338 176.300 -0.249 0.000 1.061 5409 R CA -0.599 55.455 56.100 -0.076 0.000 0.915 5409 R CB 1.327 31.592 30.300 -0.058 0.000 1.210 5409 R HN 0.744 nan 8.270 nan 0.000 0.442 5410 Y N 4.172 124.471 120.300 -0.001 0.000 2.485 5410 Y HA 0.596 5.146 4.550 0.000 0.000 0.345 5410 Y C 0.245 176.149 175.900 0.006 0.000 0.998 5410 Y CA -0.861 57.244 58.100 0.008 0.000 1.059 5410 Y CB 2.307 40.780 38.460 0.022 0.000 1.234 5410 Y HN 0.426 nan 8.280 nan 0.000 0.461 5411 M N 0.893 120.582 119.600 0.147 0.000 2.520 5411 M HA 0.755 5.235 4.480 0.000 0.000 0.280 5411 M C 0.019 176.358 176.300 0.065 0.000 1.232 5411 M CA -0.215 55.133 55.300 0.079 0.000 0.892 5411 M CB 1.272 33.894 32.600 0.036 0.000 1.728 5411 M HN 0.874 nan 8.290 nan 0.000 0.475 5412 G N 2.943 111.767 108.800 0.040 0.000 2.622 5412 G HA2 -0.368 3.592 3.960 0.000 0.000 0.307 5412 G HA3 -0.368 3.592 3.960 0.000 0.000 0.307 5412 G C 0.614 175.531 174.900 0.029 0.000 1.226 5412 G CA 1.196 46.308 45.100 0.021 0.000 0.997 5412 G HN 1.170 nan 8.290 nan 0.000 0.551 5413 R N 0.338 120.852 120.500 0.024 0.000 2.127 5413 R HA -0.079 4.261 4.340 0.000 0.000 0.238 5413 R C 2.125 178.452 176.300 0.046 0.000 1.134 5413 R CA 2.215 58.330 56.100 0.024 0.000 0.975 5413 R CB -0.391 29.920 30.300 0.017 0.000 0.865 5413 R HN 0.613 nan 8.270 nan 0.000 0.447 5414 D N -0.145 120.303 120.400 0.080 0.000 2.194 5414 D HA -0.063 4.577 4.640 0.000 0.000 0.204 5414 D C 1.669 178.056 176.300 0.145 0.000 0.964 5414 D CA 1.201 55.284 54.000 0.139 0.000 0.846 5414 D CB -0.024 40.906 40.800 0.215 0.000 0.962 5414 D HN 0.360 nan 8.370 nan 0.000 0.490 5415 A N 1.083 123.988 122.820 0.141 0.000 1.898 5415 A HA -0.172 4.149 4.320 0.000 0.000 0.216 5415 A C 2.143 179.755 177.584 0.047 0.000 1.181 5415 A CA 1.124 53.225 52.037 0.108 0.000 0.620 5415 A CB -0.276 18.790 19.000 0.110 0.000 0.819 5415 A HN 0.062 nan 8.150 nan 0.000 0.442 5416 Q N -0.890 118.931 119.800 0.035 0.000 2.123 5416 Q HA -0.121 4.219 4.340 0.000 0.000 0.199 5416 Q C 2.242 178.239 176.000 -0.006 0.000 0.966 5416 Q CA 1.572 57.383 55.803 0.013 0.000 0.845 5416 Q CB -0.318 28.424 28.738 0.007 0.000 0.907 5416 Q HN 0.616 nan 8.270 nan 0.000 0.439 5417 R N 1.127 121.625 120.500 -0.004 0.000 2.066 5417 R HA -0.011 4.329 4.340 0.000 0.000 0.232 5417 R C 2.151 178.416 176.300 -0.058 0.000 1.131 5417 R CA 1.432 57.520 56.100 -0.020 0.000 0.955 5417 R CB -0.585 29.714 30.300 -0.001 0.000 0.851 5417 R HN 0.247 nan 8.270 nan 0.000 0.432 5418 M N 0.303 119.859 119.600 -0.073 0.000 2.080 5418 M HA -0.200 4.280 4.480 0.000 0.000 0.260 5418 M C 1.064 177.234 176.300 -0.216 0.000 1.068 5418 M CA 2.195 57.404 55.300 -0.150 0.000 1.109 5418 M CB -0.264 32.168 32.600 -0.280 0.000 1.342 5418 M HN 0.157 nan 8.290 nan 0.000 0.405 5419 N N 0.745 119.371 118.700 -0.123 0.000 2.120 5419 N HA -0.074 4.666 4.740 0.000 0.000 0.188 5419 N C 1.590 176.964 175.510 -0.227 0.000 1.024 5419 N CA 1.640 54.568 53.050 -0.203 0.000 0.852 5419 N CB -0.442 38.065 38.487 0.033 0.000 1.003 5419 N HN 0.442 nan 8.380 nan 0.000 0.424 5420 I N -0.075 120.422 120.570 -0.122 0.000 2.315 5420 I HA -0.184 3.986 4.170 0.000 0.000 0.248 5420 I C 1.986 178.034 176.117 -0.116 0.000 1.117 5420 I CA 0.437 61.684 61.300 -0.089 0.000 1.404 5420 I CB -0.103 37.871 38.000 -0.043 0.000 1.071 5420 I HN 0.111 nan 8.210 nan 0.000 0.419 5421 L N 1.292 122.431 121.223 -0.139 0.000 2.017 5421 L HA -0.150 4.190 4.340 0.000 0.000 0.208 5421 L C 2.583 179.352 176.870 -0.169 0.000 1.073 5421 L CA 2.166 56.928 54.840 -0.130 0.000 0.745 5421 L CB -0.793 41.196 42.059 -0.117 0.000 0.894 5421 L HN 0.179 nan 8.230 nan 0.000 0.432 5422 A N -0.507 122.134 122.820 -0.297 0.000 1.908 5422 A HA -0.099 4.221 4.320 0.000 0.000 0.218 5422 A C 2.339 179.808 177.584 -0.192 0.000 1.181 5422 A CA 1.678 53.522 52.037 -0.322 0.000 0.627 5422 A CB -1.627 16.923 19.000 -0.750 0.000 0.818 5422 A HN 0.541 nan 8.150 nan 0.000 0.445 5423 G N -0.715 107.978 108.800 -0.178 0.000 2.408 5423 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 5423 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 5423 G C 1.683 176.540 174.900 -0.072 0.000 1.150 5423 G CA 1.199 46.242 45.100 -0.096 0.000 0.776 5423 G HN 0.525 nan 8.290 nan 0.000 0.542 5424 R N 0.690 121.144 120.500 -0.077 0.000 2.081 5424 R HA 0.076 4.417 4.340 0.000 0.000 0.235 5424 R C 2.438 178.707 176.300 -0.053 0.000 1.131 5424 R CA 1.150 57.215 56.100 -0.058 0.000 0.960 5424 R CB -0.708 29.559 30.300 -0.055 0.000 0.856 5424 R HN 0.423 nan 8.270 nan 0.000 0.436 5425 I N 0.229 120.763 120.570 -0.062 0.000 2.208 5425 I HA -0.275 3.895 4.170 0.000 0.000 0.245 5425 I C 1.754 177.847 176.117 -0.040 0.000 1.097 5425 I CA 0.878 62.149 61.300 -0.049 0.000 1.363 5425 I CB -0.279 37.690 38.000 -0.052 0.000 1.051 5425 I HN 0.155 nan 8.210 nan 0.000 0.413 5426 I N 1.017 121.561 120.570 -0.043 0.000 2.226 5426 I HA -0.247 3.923 4.170 0.000 0.000 0.245 5426 I C 2.854 178.953 176.117 -0.030 0.000 1.100 5426 I CA 1.691 62.972 61.300 -0.032 0.000 1.374 5426 I CB -1.544 36.439 38.000 -0.029 0.000 1.057 5426 I HN 0.179 nan 8.210 nan 0.000 0.413 5427 A N 0.299 123.098 122.820 -0.034 0.000 1.933 5427 A HA -0.174 4.147 4.320 0.000 0.000 0.218 5427 A C 2.174 179.738 177.584 -0.033 0.000 1.175 5427 A CA 1.298 53.314 52.037 -0.034 0.000 0.628 5427 A CB -0.395 18.582 19.000 -0.037 0.000 0.814 5427 A HN 0.354 nan 8.150 nan 0.000 0.444 5428 E N -0.370 119.810 120.200 -0.033 0.000 2.106 5428 E HA -0.108 4.243 4.350 0.000 0.000 0.192 5428 E C 2.110 178.694 176.600 -0.027 0.000 0.984 5428 E CA 1.625 58.007 56.400 -0.030 0.000 0.806 5428 E CB -0.677 29.005 29.700 -0.030 0.000 0.750 5428 E HN 0.603 nan 8.360 nan 0.000 0.458 5429 T N 1.028 115.567 114.554 -0.026 0.000 2.777 5429 T HA -0.105 4.245 4.350 0.000 0.000 0.266 5429 T C 2.108 176.794 174.700 -0.022 0.000 1.040 5429 T CA 1.788 63.875 62.100 -0.022 0.000 1.141 5429 T CB -0.119 68.737 68.868 -0.019 0.000 0.868 5429 T HN 0.209 nan 8.240 nan 0.000 0.444 5430 V N 1.438 121.338 119.914 -0.023 0.000 2.992 5430 V HA 0.133 4.253 4.120 0.000 0.000 0.250 5430 V C 2.321 178.399 176.094 -0.026 0.000 1.090 5430 V CA 0.788 63.075 62.300 -0.022 0.000 1.101 5430 V CB -0.774 31.037 31.823 -0.020 0.000 0.743 5430 V HN 0.436 nan 8.190 nan 0.000 0.468 5431 R N 2.873 123.356 120.500 -0.030 0.000 2.249 5431 R HA -0.096 4.244 4.340 0.000 0.000 0.230 5431 R C 1.920 178.199 176.300 -0.035 0.000 1.121 5431 R CA 1.805 57.885 56.100 -0.034 0.000 0.997 5431 R CB -1.039 29.240 30.300 -0.037 0.000 0.867 5431 R HN 0.687 nan 8.270 nan 0.000 0.465 5432 S N -0.127 115.554 115.700 -0.032 0.000 2.603 5432 S HA -0.039 4.432 4.470 0.000 0.000 0.220 5432 S C 1.562 176.142 174.600 -0.033 0.000 0.967 5432 S CA 0.465 58.645 58.200 -0.033 0.000 0.920 5432 S CB 0.305 63.487 63.200 -0.029 0.000 0.773 5432 S HN 0.551 nan 8.310 nan 0.000 0.529 5433 T N -0.997 113.539 114.554 -0.031 0.000 3.022 5433 T HA 0.325 4.675 4.350 0.000 0.000 0.250 5433 T C 0.379 175.060 174.700 -0.033 0.000 1.060 5433 T CA -0.477 61.606 62.100 -0.029 0.000 1.013 5433 T CB -0.468 68.388 68.868 -0.021 0.000 0.982 5433 T HN 0.267 nan 8.240 nan 0.000 0.508 5434 L N 3.011 124.212 121.223 -0.037 0.000 2.534 5434 L HA 0.501 4.841 4.340 0.000 0.000 0.271 5434 L C 0.726 177.565 176.870 -0.051 0.000 1.178 5434 L CA 1.628 56.445 54.840 -0.039 0.000 0.907 5434 L CB -0.843 41.191 42.059 -0.042 0.000 1.164 5434 L HN 0.719 nan 8.230 nan 0.000 0.482 5435 G N 4.130 112.902 108.800 -0.047 0.000 2.663 5435 G HA2 -0.155 3.805 3.960 0.000 0.000 0.686 5435 G HA3 -0.155 3.805 3.960 0.000 0.000 0.686 5435 G C -2.003 172.850 174.900 -0.078 0.000 1.288 5435 G CA -0.463 44.598 45.100 -0.065 0.000 0.836 5435 G HN 0.484 nan 8.290 nan 0.000 0.584 5436 P HA -0.008 nan 4.420 nan 0.000 0.218 5436 P C 1.420 178.617 177.300 -0.172 0.000 1.148 5436 P CA 1.460 64.477 63.100 -0.139 0.000 0.822 5436 P CB 0.055 31.550 31.700 -0.342 0.000 0.784 5437 K N -0.685 119.587 120.400 -0.212 0.000 2.446 5437 K HA 0.256 4.577 4.320 0.000 0.000 0.203 5437 K C 0.911 177.452 176.600 -0.098 0.000 1.027 5437 K CA -0.207 55.981 56.287 -0.165 0.000 1.166 5437 K CB -0.350 32.031 32.500 -0.198 0.000 0.869 5437 K HN 0.032 nan 8.250 nan 0.000 0.504 5438 G N 0.408 109.161 108.800 -0.078 0.000 2.569 5438 G HA2 0.219 4.180 3.960 0.000 0.000 0.249 5438 G HA3 0.219 4.180 3.960 0.000 0.000 0.249 5438 G C -0.052 174.823 174.900 -0.040 0.000 1.216 5438 G CA -0.455 44.613 45.100 -0.054 0.000 0.845 5438 G HN -0.014 nan 8.290 nan 0.000 0.568 5439 M N 0.203 119.783 119.600 -0.034 0.000 2.649 5439 M HA 0.381 4.861 4.480 0.000 0.000 0.294 5439 M C -0.633 175.654 176.300 -0.022 0.000 1.206 5439 M CA -0.720 54.564 55.300 -0.027 0.000 0.928 5439 M CB 1.446 34.031 32.600 -0.027 0.000 1.571 5439 M HN 0.328 nan 8.290 nan 0.000 0.501 5440 D N 0.634 121.022 120.400 -0.020 0.000 2.181 5440 D HA 0.492 5.132 4.640 0.000 0.000 0.248 5440 D C -0.654 175.635 176.300 -0.019 0.000 1.020 5440 D CA -0.302 53.688 54.000 -0.018 0.000 0.891 5440 D CB 1.214 42.004 40.800 -0.017 0.000 1.187 5440 D HN 0.146 nan 8.370 nan 0.000 0.443 5441 K N 0.467 120.857 120.400 -0.017 0.000 2.166 5441 K HA 0.562 4.882 4.320 0.000 0.000 0.245 5441 K C -0.471 176.118 176.600 -0.018 0.000 0.967 5441 K CA -0.569 55.707 56.287 -0.017 0.000 0.863 5441 K CB 1.836 34.328 32.500 -0.015 0.000 1.107 5441 K HN 0.324 nan 8.250 nan 0.000 0.436 5442 M N 3.484 123.073 119.600 -0.019 0.000 2.190 5442 M HA 0.412 4.892 4.480 0.000 0.000 0.312 5442 M C -1.721 174.571 176.300 -0.014 0.000 0.990 5442 M CA -0.597 54.691 55.300 -0.020 0.000 0.927 5442 M CB 0.639 33.224 32.600 -0.026 0.000 1.571 5442 M HN 0.409 nan 8.290 nan 0.000 0.427 5443 L N 6.083 127.300 121.223 -0.010 0.000 2.298 5443 L HA 0.609 4.949 4.340 0.000 0.000 0.284 5443 L C -1.069 175.800 176.870 -0.002 0.000 1.013 5443 L CA -0.933 53.904 54.840 -0.005 0.000 0.824 5443 L CB 1.722 43.780 42.059 -0.002 0.000 1.221 5443 L HN 0.423 nan 8.230 nan 0.000 0.418 5444 V N 2.158 122.070 119.914 -0.002 0.000 2.384 5444 V HA 0.228 4.348 4.120 0.000 0.000 0.287 5444 V C -0.188 175.907 176.094 0.003 0.000 1.020 5444 V CA -0.817 61.483 62.300 0.000 0.000 0.850 5444 V CB 1.684 33.506 31.823 -0.002 0.000 0.987 5444 V HN 0.786 nan 8.190 nan 0.000 0.436 5445 D N 2.385 122.788 120.400 0.005 0.000 2.440 5445 D HA 0.101 4.741 4.640 0.000 0.000 0.269 5445 D C 0.564 176.868 176.300 0.005 0.000 1.249 5445 D CA -0.539 53.464 54.000 0.005 0.000 1.055 5445 D CB 0.612 41.416 40.800 0.007 0.000 1.104 5445 D HN 0.411 nan 8.370 nan 0.000 0.561 5446 D N -1.342 119.062 120.400 0.005 0.000 2.310 5446 D HA -0.014 4.626 4.640 0.000 0.000 0.212 5446 D C 1.390 177.693 176.300 0.005 0.000 0.965 5446 D CA 0.755 54.758 54.000 0.005 0.000 0.879 5446 D CB -0.059 40.744 40.800 0.005 0.000 0.921 5446 D HN 0.289 nan 8.370 nan 0.000 0.510 5447 L N -1.475 119.752 121.223 0.006 0.000 2.554 5447 L HA 0.291 4.632 4.340 0.000 0.000 0.225 5447 L C 1.631 178.506 176.870 0.008 0.000 1.104 5447 L CA 0.405 55.249 54.840 0.007 0.000 0.866 5447 L CB 0.264 42.328 42.059 0.008 0.000 1.047 5447 L HN 0.221 nan 8.230 nan 0.000 0.468 5448 G N -0.259 108.545 108.800 0.008 0.000 2.195 5448 G HA2 -0.250 3.711 3.960 0.000 0.000 0.224 5448 G HA3 -0.250 3.711 3.960 0.000 0.000 0.224 5448 G C 0.074 174.981 174.900 0.012 0.000 0.990 5448 G CA -0.034 45.072 45.100 0.008 0.000 0.639 5448 G HN 0.314 nan 8.290 nan 0.000 0.514 5449 D N 1.010 121.418 120.400 0.014 0.000 2.458 5449 D HA 0.377 5.017 4.640 0.000 0.000 0.243 5449 D C 0.480 176.792 176.300 0.019 0.000 1.146 5449 D CA 0.263 54.275 54.000 0.020 0.000 0.877 5449 D CB 1.189 42.000 40.800 0.019 0.000 1.176 5449 D HN 0.237 nan 8.370 nan 0.000 0.461 5450 V N 4.731 124.660 119.914 0.026 0.000 2.370 5450 V HA 0.289 4.409 4.120 0.000 0.000 0.283 5450 V C 0.112 176.221 176.094 0.024 0.000 1.023 5450 V CA -0.813 61.496 62.300 0.015 0.000 0.857 5450 V CB 1.648 33.471 31.823 -0.000 0.000 0.985 5450 V HN 0.340 nan 8.190 nan 0.000 0.443 5451 V N 6.013 125.934 119.914 0.012 0.000 2.378 5451 V HA 0.446 4.567 4.120 0.000 0.000 0.288 5451 V C -0.210 175.884 176.094 -0.000 0.000 1.016 5451 V CA -0.545 61.765 62.300 0.016 0.000 0.840 5451 V CB 1.877 33.710 31.823 0.016 0.000 0.994 5451 V HN 0.601 nan 8.190 nan 0.000 0.431 5452 V N 4.516 124.428 119.914 -0.003 0.000 2.384 5452 V HA 0.788 4.908 4.120 0.000 0.000 0.287 5452 V C 0.091 176.184 176.094 -0.002 0.000 1.020 5452 V CA 0.032 62.321 62.300 -0.019 0.000 0.850 5452 V CB 1.610 33.401 31.823 -0.054 0.000 0.987 5452 V HN 0.988 nan 8.190 nan 0.000 0.436 5453 T N 2.984 117.535 114.554 -0.004 0.000 2.718 5453 T HA 0.375 4.726 4.350 0.000 0.000 0.306 5453 T C -0.279 174.418 174.700 -0.004 0.000 1.485 5453 T CA -0.062 62.039 62.100 0.001 0.000 0.997 5453 T CB 1.703 70.575 68.868 0.006 0.000 1.504 5453 T HN 0.788 nan 8.240 nan 0.000 0.497 5454 N N 0.213 118.912 118.700 -0.002 0.000 2.143 5454 N HA 0.235 4.975 4.740 0.000 0.000 0.222 5454 N C -0.626 174.881 175.510 -0.005 0.000 1.264 5454 N CA -0.395 52.651 53.050 -0.006 0.000 0.897 5454 N CB 0.341 38.823 38.487 -0.007 0.000 1.092 5454 N HN 0.514 nan 8.380 nan 0.000 0.516 5455 D N -0.431 119.969 120.400 -0.001 0.000 2.348 5455 D HA 0.371 5.012 4.640 0.000 0.000 0.253 5455 D C 1.466 177.765 176.300 -0.003 0.000 1.161 5455 D CA -0.039 53.960 54.000 -0.001 0.000 0.876 5455 D CB 1.137 41.939 40.800 0.003 0.000 1.160 5455 D HN 0.234 nan 8.370 nan 0.000 0.459 5456 G N 2.362 111.159 108.800 -0.004 0.000 2.418 5456 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 5456 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 5456 G C 1.463 176.361 174.900 -0.003 0.000 1.158 5456 G CA 0.612 45.708 45.100 -0.006 0.000 0.771 5456 G HN 0.477 nan 8.290 nan 0.000 0.545 5457 V N 0.845 120.759 119.914 -0.001 0.000 2.307 5457 V HA -0.161 3.960 4.120 0.000 0.000 0.245 5457 V C 3.172 179.267 176.094 0.002 0.000 1.045 5457 V CA 2.354 64.654 62.300 0.001 0.000 1.024 5457 V CB -0.869 30.956 31.823 0.003 0.000 0.651 5457 V HN 0.385 nan 8.190 nan 0.000 0.449 5458 T N 0.429 114.985 114.554 0.003 0.000 2.684 5458 T HA -0.185 4.166 4.350 0.000 0.000 0.267 5458 T C 1.815 176.517 174.700 0.003 0.000 1.036 5458 T CA 1.985 64.088 62.100 0.004 0.000 1.148 5458 T CB -0.325 68.546 68.868 0.006 0.000 0.863 5458 T HN 0.330 nan 8.240 nan 0.000 0.436 5459 I N 0.346 120.916 120.570 0.001 0.000 2.226 5459 I HA -0.148 4.022 4.170 0.000 0.000 0.245 5459 I C 2.079 178.196 176.117 -0.001 0.000 1.100 5459 I CA 0.978 62.278 61.300 -0.001 0.000 1.374 5459 I CB -0.280 37.717 38.000 -0.005 0.000 1.057 5459 I HN 0.160 nan 8.210 nan 0.000 0.413 5460 L N 0.133 121.356 121.223 -0.000 0.000 2.156 5460 L HA -0.086 4.254 4.340 0.000 0.000 0.208 5460 L C 2.468 179.340 176.870 0.004 0.000 1.095 5460 L CA 1.469 56.310 54.840 0.001 0.000 0.770 5460 L CB -0.972 41.088 42.059 0.001 0.000 0.914 5460 L HN 0.157 nan 8.230 nan 0.000 0.439 5461 R N -0.125 120.378 120.500 0.004 0.000 2.073 5461 R HA -0.094 4.246 4.340 0.000 0.000 0.229 5461 R C 1.857 178.160 176.300 0.005 0.000 1.120 5461 R CA 1.148 57.251 56.100 0.005 0.000 0.967 5461 R CB 0.105 30.408 30.300 0.005 0.000 0.862 5461 R HN 0.312 nan 8.270 nan 0.000 0.436 5462 E N 0.266 120.469 120.200 0.005 0.000 2.112 5462 E HA -0.003 4.347 4.350 0.000 0.000 0.190 5462 E C 0.801 177.404 176.600 0.005 0.000 0.979 5462 E CA 0.457 56.860 56.400 0.005 0.000 0.814 5462 E CB -0.055 29.648 29.700 0.005 0.000 0.762 5462 E HN 0.324 nan 8.360 nan 0.000 0.460 5463 M N 0.485 120.087 119.600 0.004 0.000 2.243 5463 M HA 0.047 4.528 4.480 0.000 0.000 0.341 5463 M C 0.442 176.745 176.300 0.006 0.000 1.130 5463 M CA 0.110 55.412 55.300 0.003 0.000 1.162 5463 M CB 0.999 33.600 32.600 0.001 0.000 1.497 5463 M HN -0.235 nan 8.290 nan 0.000 0.456 5464 S N 3.193 118.897 115.700 0.006 0.000 2.488 5464 S HA 0.476 4.947 4.470 0.000 0.000 0.310 5464 S C -0.528 174.078 174.600 0.011 0.000 1.093 5464 S CA -0.965 57.240 58.200 0.009 0.000 1.129 5464 S CB -0.058 63.146 63.200 0.008 0.000 0.989 5464 S HN 0.509 nan 8.310 nan 0.000 0.479 5465 V N 3.035 122.958 119.914 0.015 0.000 3.036 5465 V HA 0.615 4.736 4.120 0.000 0.000 0.308 5465 V C 0.720 176.831 176.094 0.028 0.000 1.070 5465 V CA -0.164 62.150 62.300 0.023 0.000 1.056 5465 V CB 1.145 32.985 31.823 0.027 0.000 1.084 5465 V HN 0.840 nan 8.190 nan 0.000 0.471 5466 E N -0.501 119.723 120.200 0.040 0.000 2.228 5466 E HA 0.102 4.452 4.350 0.000 0.000 0.197 5466 E C 0.405 177.029 176.600 0.041 0.000 0.909 5466 E CA -0.092 56.328 56.400 0.034 0.000 0.911 5466 E CB 0.080 29.798 29.700 0.030 0.000 0.887 5466 E HN 0.824 nan 8.360 nan 0.000 0.481 5467 H N 1.910 120.966 119.070 -0.023 0.000 2.764 5467 H HA 0.031 4.587 4.556 0.000 0.000 0.341 5467 H C -1.874 173.439 175.328 -0.024 0.000 1.072 5467 H CA -1.514 54.514 56.048 -0.034 0.000 1.444 5467 H CB 1.390 31.119 29.762 -0.054 0.000 1.458 5467 H HN -0.120 nan 8.280 nan 0.000 0.572 5468 P HA -0.135 nan 4.420 nan 0.000 0.216 5468 P C 1.088 178.492 177.300 0.174 0.000 1.150 5468 P CA 2.040 65.162 63.100 0.037 0.000 0.837 5468 P CB 0.102 31.762 31.700 -0.067 0.000 0.786 5469 A N -0.024 123.058 122.820 0.437 0.000 1.902 5469 A HA -0.104 4.216 4.320 0.000 0.000 0.217 5469 A C 2.318 179.948 177.584 0.075 0.000 1.181 5469 A CA 2.047 54.197 52.037 0.189 0.000 0.623 5469 A CB -1.555 17.462 19.000 0.029 0.000 0.818 5469 A HN 0.198 nan 8.150 nan 0.000 0.443 5470 A N -0.264 122.601 122.820 0.075 0.000 1.930 5470 A HA -0.153 4.167 4.320 0.000 0.000 0.217 5470 A C 2.121 179.727 177.584 0.037 0.000 1.175 5470 A CA 1.946 54.000 52.037 0.028 0.000 0.627 5470 A CB -0.439 18.574 19.000 0.023 0.000 0.815 5470 A HN 0.554 nan 8.150 nan 0.000 0.443 5471 K N -0.835 119.598 120.400 0.056 0.000 2.097 5471 K HA -0.091 4.229 4.320 0.000 0.000 0.206 5471 K C 1.995 178.614 176.600 0.032 0.000 1.049 5471 K CA 1.613 57.923 56.287 0.037 0.000 0.933 5471 K CB -0.232 32.288 32.500 0.034 0.000 0.717 5471 K HN 0.520 nan 8.250 nan 0.000 0.442 5472 M N 0.132 119.755 119.600 0.039 0.000 2.200 5472 M HA -0.133 4.347 4.480 0.000 0.000 0.265 5472 M C 1.842 178.156 176.300 0.023 0.000 1.066 5472 M CA 0.931 56.250 55.300 0.031 0.000 1.127 5472 M CB -0.083 32.540 32.600 0.038 0.000 1.379 5472 M HN 0.095 nan 8.290 nan 0.000 0.420 5473 L N 0.312 121.546 121.223 0.019 0.000 2.131 5473 L HA -0.129 4.211 4.340 0.000 0.000 0.210 5473 L C 2.152 179.027 176.870 0.008 0.000 1.092 5473 L CA 1.668 56.514 54.840 0.010 0.000 0.759 5473 L CB -0.656 41.404 42.059 0.001 0.000 0.903 5473 L HN 0.260 nan 8.230 nan 0.000 0.435 5474 I N -0.902 119.674 120.570 0.010 0.000 2.226 5474 I HA -0.295 3.875 4.170 0.000 0.000 0.245 5474 I C 2.270 178.393 176.117 0.009 0.000 1.100 5474 I CA 1.257 62.562 61.300 0.009 0.000 1.374 5474 I CB -0.252 37.755 38.000 0.011 0.000 1.057 5474 I HN 0.316 nan 8.210 nan 0.000 0.413 5475 E N 0.160 120.367 120.200 0.012 0.000 2.106 5475 E HA -0.145 4.205 4.350 0.000 0.000 0.192 5475 E C 2.317 178.924 176.600 0.011 0.000 0.984 5475 E CA 1.005 57.412 56.400 0.012 0.000 0.806 5475 E CB 0.032 29.740 29.700 0.014 0.000 0.750 5475 E HN 0.279 nan 8.360 nan 0.000 0.458 5476 V N 1.356 121.277 119.914 0.012 0.000 2.358 5476 V HA -0.261 3.860 4.120 0.000 0.000 0.246 5476 V C 2.320 178.419 176.094 0.009 0.000 1.047 5476 V CA 1.835 64.142 62.300 0.012 0.000 1.035 5476 V CB -0.643 31.188 31.823 0.014 0.000 0.658 5476 V HN 0.319 nan 8.190 nan 0.000 0.452 5477 A N -0.321 122.503 122.820 0.007 0.000 1.933 5477 A HA -0.241 4.079 4.320 0.000 0.000 0.218 5477 A C 2.280 179.867 177.584 0.005 0.000 1.175 5477 A CA 1.945 53.985 52.037 0.004 0.000 0.628 5477 A CB -0.412 18.589 19.000 0.002 0.000 0.814 5477 A HN 0.555 nan 8.150 nan 0.000 0.444 5478 K N -0.960 119.444 120.400 0.006 0.000 2.097 5478 K HA -0.074 4.246 4.320 0.000 0.000 0.205 5478 K C 2.029 178.633 176.600 0.006 0.000 1.050 5478 K CA 1.663 57.953 56.287 0.006 0.000 0.938 5478 K CB -0.307 32.197 32.500 0.007 0.000 0.718 5478 K HN 0.457 nan 8.250 nan 0.000 0.442 5479 T N 0.944 115.503 114.554 0.008 0.000 2.821 5479 T HA -0.169 4.181 4.350 0.000 0.000 0.267 5479 T C 1.819 176.523 174.700 0.008 0.000 1.046 5479 T CA 1.281 63.385 62.100 0.008 0.000 1.139 5479 T CB -0.126 68.748 68.868 0.010 0.000 0.871 5479 T HN 0.168 nan 8.240 nan 0.000 0.454 5480 Q N 1.232 121.037 119.800 0.007 0.000 2.124 5480 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 5480 Q C 2.111 178.114 176.000 0.006 0.000 0.977 5480 Q CA 1.708 57.515 55.803 0.007 0.000 0.850 5480 Q CB -0.271 28.470 28.738 0.005 0.000 0.901 5480 Q HN 0.463 nan 8.270 nan 0.000 0.429 5481 E N 0.118 120.321 120.200 0.005 0.000 2.072 5481 E HA -0.134 4.217 4.350 0.000 0.000 0.191 5481 E C 1.568 178.171 176.600 0.005 0.000 0.985 5481 E CA 1.525 57.928 56.400 0.005 0.000 0.801 5481 E CB -0.016 29.687 29.700 0.004 0.000 0.750 5481 E HN 0.362 nan 8.360 nan 0.000 0.452 5482 K N -0.071 120.332 120.400 0.005 0.000 2.097 5482 K HA -0.107 4.213 4.320 0.000 0.000 0.205 5482 K C 2.070 178.673 176.600 0.005 0.000 1.050 5482 K CA 1.346 57.636 56.287 0.005 0.000 0.938 5482 K CB 0.019 32.522 32.500 0.005 0.000 0.718 5482 K HN 0.107 nan 8.250 nan 0.000 0.442 5483 E N -0.003 120.201 120.200 0.006 0.000 2.045 5483 E HA -0.053 4.298 4.350 0.000 0.000 0.190 5483 E C 2.129 178.733 176.600 0.007 0.000 0.968 5483 E CA 1.027 57.431 56.400 0.007 0.000 0.813 5483 E CB 0.063 29.768 29.700 0.008 0.000 0.780 5483 E HN 0.031 nan 8.360 nan 0.000 0.455 5484 V N -1.082 118.836 119.914 0.007 0.000 3.048 5484 V HA 0.237 4.357 4.120 0.000 0.000 0.241 5484 V C 1.630 177.728 176.094 0.006 0.000 1.129 5484 V CA 1.031 63.336 62.300 0.007 0.000 1.128 5484 V CB 0.494 32.322 31.823 0.007 0.000 0.849 5484 V HN 0.473 nan 8.190 nan 0.000 0.475 5485 G N 0.173 108.976 108.800 0.006 0.000 4.165 5485 G HA2 -0.248 3.712 3.960 0.000 0.000 0.211 5485 G HA3 -0.248 3.712 3.960 0.000 0.000 0.211 5485 G C 0.222 175.125 174.900 0.005 0.000 1.469 5485 G CA 0.332 45.435 45.100 0.006 0.000 0.964 5485 G HN 0.438 nan 8.290 nan 0.000 0.613 5486 D N 1.100 121.504 120.400 0.006 0.000 2.506 5486 D HA 0.492 5.132 4.640 0.000 0.000 0.272 5486 D C 1.506 177.808 176.300 0.003 0.000 1.214 5486 D CA 1.183 55.186 54.000 0.005 0.000 1.067 5486 D CB 0.707 41.512 40.800 0.008 0.000 1.117 5486 D HN 1.631 nan 8.370 nan 0.000 0.578 5487 G N -0.522 108.279 108.800 0.001 0.000 2.143 5487 G HA2 -0.318 3.643 3.960 0.000 0.000 0.249 5487 G HA3 -0.318 3.643 3.960 0.000 0.000 0.249 5487 G C 1.034 175.930 174.900 -0.006 0.000 0.981 5487 G CA 1.487 46.585 45.100 -0.003 0.000 0.665 5487 G HN 0.603 nan 8.290 nan 0.000 0.528 5488 T N -2.431 112.120 114.554 -0.005 0.000 2.612 5488 T HA -0.086 4.264 4.350 0.000 0.000 0.259 5488 T C 2.204 176.897 174.700 -0.011 0.000 1.065 5488 T CA 2.494 64.590 62.100 -0.006 0.000 1.167 5488 T CB -0.907 67.959 68.868 -0.003 0.000 0.863 5488 T HN 0.292 nan 8.240 nan 0.000 0.407 5489 T N 1.920 116.466 114.554 -0.013 0.000 2.720 5489 T HA -0.124 4.226 4.350 0.000 0.000 0.268 5489 T C 2.233 176.918 174.700 -0.025 0.000 1.037 5489 T CA 1.940 64.028 62.100 -0.019 0.000 1.144 5489 T CB -1.107 67.749 68.868 -0.020 0.000 0.864 5489 T HN 0.556 nan 8.240 nan 0.000 0.444 5490 T N 2.021 116.560 114.554 -0.025 0.000 2.652 5490 T HA -0.097 4.253 4.350 0.000 0.000 0.267 5490 T C 2.398 177.076 174.700 -0.037 0.000 1.039 5490 T CA 1.351 63.432 62.100 -0.033 0.000 1.153 5490 T CB -0.631 68.221 68.868 -0.028 0.000 0.863 5490 T HN 0.462 nan 8.240 nan 0.000 0.428 5491 A N 0.771 123.574 122.820 -0.027 0.000 1.933 5491 A HA -0.032 4.288 4.320 0.000 0.000 0.218 5491 A C 2.587 180.154 177.584 -0.028 0.000 1.175 5491 A CA 1.282 53.304 52.037 -0.025 0.000 0.628 5491 A CB -0.929 18.064 19.000 -0.012 0.000 0.814 5491 A HN 0.367 nan 8.150 nan 0.000 0.444 5492 V N -0.532 119.367 119.914 -0.025 0.000 2.358 5492 V HA -0.202 3.919 4.120 0.000 0.000 0.246 5492 V C 2.549 178.621 176.094 -0.036 0.000 1.047 5492 V CA 1.882 64.167 62.300 -0.025 0.000 1.035 5492 V CB -0.646 31.164 31.823 -0.022 0.000 0.658 5492 V HN 0.370 nan 8.190 nan 0.000 0.452 5493 V N -0.341 119.548 119.914 -0.042 0.000 2.358 5493 V HA -0.199 3.921 4.120 0.000 0.000 0.246 5493 V C 2.420 178.473 176.094 -0.068 0.000 1.047 5493 V CA 1.782 64.051 62.300 -0.052 0.000 1.035 5493 V CB -0.293 31.498 31.823 -0.052 0.000 0.658 5493 V HN 0.402 nan 8.190 nan 0.000 0.452 5494 V N 0.360 120.227 119.914 -0.078 0.000 2.295 5494 V HA -0.255 3.865 4.120 0.000 0.000 0.246 5494 V C 2.703 178.733 176.094 -0.107 0.000 1.049 5494 V CA 2.063 64.294 62.300 -0.116 0.000 1.024 5494 V CB -1.110 30.639 31.823 -0.124 0.000 0.648 5494 V HN 0.561 nan 8.190 nan 0.000 0.447 5495 A N 0.406 123.188 122.820 -0.064 0.000 1.933 5495 A HA -0.069 4.251 4.320 0.000 0.000 0.218 5495 A C 2.396 179.965 177.584 -0.026 0.000 1.175 5495 A CA 1.865 53.883 52.037 -0.033 0.000 0.628 5495 A CB -1.125 17.868 19.000 -0.011 0.000 0.814 5495 A HN 0.531 nan 8.150 nan 0.000 0.444 5496 G N -0.468 108.310 108.800 -0.037 0.000 2.421 5496 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 5496 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 5496 G C 1.468 176.347 174.900 -0.034 0.000 1.171 5496 G CA 1.263 46.343 45.100 -0.034 0.000 0.775 5496 G HN 0.570 nan 8.290 nan 0.000 0.543 5497 E N -0.266 119.901 120.200 -0.055 0.000 2.150 5497 E HA -0.014 4.337 4.350 0.000 0.000 0.193 5497 E C 2.343 178.912 176.600 -0.052 0.000 0.985 5497 E CA 0.298 56.661 56.400 -0.062 0.000 0.814 5497 E CB -0.257 29.386 29.700 -0.096 0.000 0.752 5497 E HN 0.243 nan 8.360 nan 0.000 0.466 5498 L N 0.141 121.324 121.223 -0.066 0.000 2.046 5498 L HA -0.119 4.222 4.340 0.000 0.000 0.208 5498 L C 2.177 179.119 176.870 0.119 0.000 1.077 5498 L CA 1.531 56.353 54.840 -0.030 0.000 0.747 5498 L CB -0.648 41.376 42.059 -0.058 0.000 0.896 5498 L HN 0.279 nan 8.230 nan 0.000 0.432 5499 L N -1.628 119.641 121.223 0.077 0.000 2.156 5499 L HA -0.159 4.181 4.340 0.000 0.000 0.208 5499 L C 2.658 179.560 176.870 0.054 0.000 1.095 5499 L CA 0.603 55.490 54.840 0.078 0.000 0.770 5499 L CB -0.362 41.718 42.059 0.035 0.000 0.914 5499 L HN 0.198 nan 8.230 nan 0.000 0.439 5500 R N 0.839 121.357 120.500 0.029 0.000 2.073 5500 R HA -0.171 4.169 4.340 0.000 0.000 0.234 5500 R C 2.161 178.483 176.300 0.036 0.000 1.134 5500 R CA 1.573 57.684 56.100 0.017 0.000 0.952 5500 R CB -0.113 30.185 30.300 -0.004 0.000 0.850 5500 R HN -0.020 nan 8.270 nan 0.000 0.433 5501 K N -0.144 120.291 120.400 0.057 0.000 2.057 5501 K HA 0.082 4.402 4.320 0.000 0.000 0.206 5501 K C 1.865 178.540 176.600 0.125 0.000 1.050 5501 K CA 1.592 57.932 56.287 0.088 0.000 0.935 5501 K CB -0.442 32.121 32.500 0.104 0.000 0.715 5501 K HN 0.299 nan 8.250 nan 0.000 0.439 5502 A N 0.526 123.449 122.820 0.172 0.000 1.933 5502 A HA -0.203 4.117 4.320 0.000 0.000 0.218 5502 A C 2.091 179.700 177.584 0.042 0.000 1.175 5502 A CA 1.801 53.909 52.037 0.119 0.000 0.628 5502 A CB -0.477 18.614 19.000 0.152 0.000 0.814 5502 A HN 0.452 nan 8.150 nan 0.000 0.444 5503 E N -0.335 119.889 120.200 0.041 0.000 2.153 5503 E HA -0.198 4.153 4.350 0.000 0.000 0.194 5503 E C 1.648 178.256 176.600 0.013 0.000 0.988 5503 E CA 1.055 57.465 56.400 0.017 0.000 0.811 5503 E CB -0.016 29.691 29.700 0.013 0.000 0.746 5503 E HN 0.527 nan 8.360 nan 0.000 0.466 5504 E N 0.255 120.468 120.200 0.022 0.000 2.153 5504 E HA -0.160 4.190 4.350 0.000 0.000 0.194 5504 E C 1.987 178.596 176.600 0.014 0.000 0.988 5504 E CA 0.516 56.927 56.400 0.019 0.000 0.811 5504 E CB 0.023 29.738 29.700 0.026 0.000 0.746 5504 E HN 0.327 nan 8.360 nan 0.000 0.466 5505 L N -0.027 121.205 121.223 0.014 0.000 2.095 5505 L HA -0.076 4.264 4.340 0.000 0.000 0.204 5505 L C 2.293 179.156 176.870 -0.011 0.000 1.080 5505 L CA 0.752 55.594 54.840 0.003 0.000 0.759 5505 L CB -0.941 41.114 42.059 -0.006 0.000 0.914 5505 L HN 0.166 nan 8.230 nan 0.000 0.439 5506 L N -0.039 121.173 121.223 -0.018 0.000 2.093 5506 L HA -0.189 4.151 4.340 0.000 0.000 0.208 5506 L C 2.214 179.073 176.870 -0.019 0.000 1.085 5506 L CA 1.564 56.387 54.840 -0.029 0.000 0.755 5506 L CB -0.872 41.168 42.059 -0.031 0.000 0.904 5506 L HN 0.242 nan 8.230 nan 0.000 0.435 5507 D N -1.184 119.211 120.400 -0.008 0.000 2.178 5507 D HA -0.234 4.406 4.640 0.000 0.000 0.202 5507 D C 2.141 178.440 176.300 -0.001 0.000 0.974 5507 D CA 0.688 54.687 54.000 -0.003 0.000 0.841 5507 D CB 0.097 40.898 40.800 0.001 0.000 0.953 5507 D HN 0.342 nan 8.370 nan 0.000 0.478 5508 Q N -0.167 119.633 119.800 0.000 0.000 2.482 5508 Q HA -0.029 4.311 4.340 0.000 0.000 0.209 5508 Q C -0.294 175.707 176.000 0.002 0.000 0.961 5508 Q CA 0.410 56.215 55.803 0.003 0.000 0.945 5508 Q CB 0.072 28.814 28.738 0.007 0.000 1.012 5508 Q HN 0.209 nan 8.270 nan 0.000 0.515 5509 N N -0.532 118.165 118.700 -0.005 0.000 2.815 5509 N HA -0.137 4.603 4.740 0.000 0.000 0.248 5509 N C -1.435 174.076 175.510 0.001 0.000 1.110 5509 N CA 0.726 53.772 53.050 -0.007 0.000 0.699 5509 N CB -1.691 36.796 38.487 -0.000 0.000 1.040 5509 N HN 0.033 nan 8.380 nan 0.000 0.555 5510 V N 1.569 121.482 119.914 -0.002 0.000 2.432 5510 V HA 0.101 4.221 4.120 0.000 0.000 0.275 5510 V C 1.096 177.197 176.094 0.012 0.000 1.043 5510 V CA -0.655 61.655 62.300 0.016 0.000 0.925 5510 V CB 1.412 33.241 31.823 0.009 0.000 0.985 5510 V HN 0.288 nan 8.190 nan 0.000 0.466 5511 H N 7.981 127.037 119.070 -0.024 0.000 3.094 5511 H HA 0.017 4.573 4.556 0.001 0.000 0.320 5511 H C -1.699 173.604 175.328 -0.041 0.000 1.000 5511 H CA -1.095 54.937 56.048 -0.026 0.000 1.413 5511 H CB 1.528 31.276 29.762 -0.022 0.000 1.405 5511 H HN 0.396 nan 8.280 nan 0.000 0.586 5512 P HA -0.169 nan 4.420 nan 0.000 0.217 5512 P C 1.531 178.867 177.300 0.061 0.000 1.148 5512 P CA 1.708 64.762 63.100 -0.077 0.000 0.834 5512 P CB 0.090 31.702 31.700 -0.147 0.000 0.783 5513 T N -1.807 112.940 114.554 0.320 0.000 2.915 5513 T HA -0.064 4.287 4.350 0.000 0.000 0.269 5513 T C 1.585 176.308 174.700 0.038 0.000 1.071 5513 T CA 0.761 62.952 62.100 0.152 0.000 1.132 5513 T CB -0.728 68.192 68.868 0.086 0.000 0.878 5513 T HN -0.026 nan 8.240 nan 0.000 0.479 5514 I N 0.214 120.813 120.570 0.048 0.000 2.286 5514 I HA -0.091 4.079 4.170 0.000 0.000 0.245 5514 I C 2.413 178.481 176.117 -0.082 0.000 1.104 5514 I CA 0.729 62.022 61.300 -0.012 0.000 1.397 5514 I CB -0.233 37.773 38.000 0.009 0.000 1.072 5514 I HN 0.104 nan 8.210 nan 0.000 0.417 5515 V N 0.403 120.234 119.914 -0.138 0.000 2.343 5515 V HA -0.224 3.897 4.120 0.000 0.000 0.247 5515 V C 2.423 178.217 176.094 -0.501 0.000 1.051 5515 V CA 1.497 63.583 62.300 -0.357 0.000 1.036 5515 V CB -0.370 31.241 31.823 -0.352 0.000 0.654 5515 V HN 0.220 nan 8.190 nan 0.000 0.451 5516 V N -0.066 119.695 119.914 -0.254 0.000 2.270 5516 V HA -0.283 3.837 4.120 0.000 0.000 0.245 5516 V C 2.425 178.479 176.094 -0.066 0.000 1.043 5516 V CA 2.417 64.634 62.300 -0.139 0.000 1.014 5516 V CB -0.653 31.141 31.823 -0.048 0.000 0.645 5516 V HN 0.545 nan 8.190 nan 0.000 0.447 5517 K N 0.194 120.561 120.400 -0.055 0.000 2.057 5517 K HA -0.155 4.165 4.320 0.000 0.000 0.207 5517 K C 2.159 178.747 176.600 -0.020 0.000 1.049 5517 K CA 1.667 57.937 56.287 -0.029 0.000 0.931 5517 K CB -0.629 31.855 32.500 -0.027 0.000 0.714 5517 K HN 0.492 nan 8.250 nan 0.000 0.440 5518 G N -0.016 108.767 108.800 -0.029 0.000 2.440 5518 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 5518 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 5518 G C 1.140 176.103 174.900 0.105 0.000 1.154 5518 G CA 0.694 45.812 45.100 0.030 0.000 0.767 5518 G HN 0.270 nan 8.290 nan 0.000 0.552 5519 Y N 0.814 121.039 120.300 -0.125 0.000 2.314 5519 Y HA 0.019 4.569 4.550 0.000 0.000 0.293 5519 Y C 2.995 178.713 175.900 -0.303 0.000 1.129 5519 Y CA 0.592 58.533 58.100 -0.265 0.000 1.201 5519 Y CB -0.669 37.751 38.460 -0.066 0.000 0.999 5519 Y HN 0.335 nan 8.280 nan 0.000 0.541 5520 Q N -0.563 119.242 119.800 0.007 0.000 2.046 5520 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 5520 Q C 2.562 178.513 176.000 -0.081 0.000 0.975 5520 Q CA 1.383 57.166 55.803 -0.034 0.000 0.836 5520 Q CB -0.241 28.491 28.738 -0.010 0.000 0.896 5520 Q HN 0.417 nan 8.270 nan 0.000 0.428 5521 A N 1.085 123.861 122.820 -0.074 0.000 1.873 5521 A HA -0.101 4.219 4.320 0.000 0.000 0.215 5521 A C 2.285 179.805 177.584 -0.106 0.000 1.186 5521 A CA 1.606 53.602 52.037 -0.068 0.000 0.616 5521 A CB -0.839 18.140 19.000 -0.036 0.000 0.823 5521 A HN 0.390 nan 8.150 nan 0.000 0.442 5522 A N -0.219 122.475 122.820 -0.210 0.000 1.898 5522 A HA 0.196 4.517 4.320 0.000 0.000 0.216 5522 A C 2.491 179.827 177.584 -0.414 0.000 1.181 5522 A CA 2.023 53.870 52.037 -0.317 0.000 0.620 5522 A CB -0.979 17.677 19.000 -0.575 0.000 0.819 5522 A HN 1.036 nan 8.150 nan 0.000 0.442 5523 A N -0.966 121.500 122.820 -0.591 0.000 1.933 5523 A HA -0.172 4.149 4.320 0.000 0.000 0.218 5523 A C 2.145 179.685 177.584 -0.074 0.000 1.175 5523 A CA 2.064 53.934 52.037 -0.278 0.000 0.628 5523 A CB -0.477 18.396 19.000 -0.212 0.000 0.814 5523 A HN 0.527 nan 8.150 nan 0.000 0.444 5524 Q N 0.019 119.774 119.800 -0.074 0.000 2.119 5524 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 5524 Q C 1.838 177.845 176.000 0.012 0.000 0.972 5524 Q CA 1.798 57.588 55.803 -0.022 0.000 0.847 5524 Q CB -0.110 28.611 28.738 -0.029 0.000 0.903 5524 Q HN 0.486 nan 8.270 nan 0.000 0.433 5525 K N -0.411 120.006 120.400 0.029 0.000 2.167 5525 K HA 0.093 4.414 4.320 0.000 0.000 0.203 5525 K C 1.908 178.602 176.600 0.156 0.000 1.052 5525 K CA 0.933 57.290 56.287 0.117 0.000 0.956 5525 K CB -0.286 32.341 32.500 0.212 0.000 0.735 5525 K HN 0.278 nan 8.250 nan 0.000 0.451 5526 A N 1.587 124.478 122.820 0.119 0.000 1.898 5526 A HA -0.182 4.138 4.320 0.000 0.000 0.216 5526 A C 2.144 179.786 177.584 0.096 0.000 1.181 5526 A CA 1.262 53.377 52.037 0.131 0.000 0.620 5526 A CB -0.363 18.759 19.000 0.203 0.000 0.819 5526 A HN 0.334 nan 8.150 nan 0.000 0.442 5527 Q N -1.000 118.846 119.800 0.076 0.000 2.119 5527 Q HA -0.172 4.169 4.340 0.000 0.000 0.201 5527 Q C 2.079 178.111 176.000 0.054 0.000 0.972 5527 Q CA 1.373 57.210 55.803 0.057 0.000 0.847 5527 Q CB -0.104 28.659 28.738 0.043 0.000 0.903 5527 Q HN 0.855 nan 8.270 nan 0.000 0.433 5528 E N 0.861 121.098 120.200 0.062 0.000 2.072 5528 E HA -0.176 4.174 4.350 0.000 0.000 0.191 5528 E C 1.916 178.562 176.600 0.077 0.000 0.985 5528 E CA 0.613 57.051 56.400 0.062 0.000 0.801 5528 E CB 0.040 29.777 29.700 0.062 0.000 0.750 5528 E HN 0.304 nan 8.360 nan 0.000 0.452 5529 L N 0.334 121.618 121.223 0.101 0.000 2.083 5529 L HA -0.188 4.152 4.340 0.000 0.000 0.209 5529 L C 2.389 179.296 176.870 0.061 0.000 1.083 5529 L CA 0.313 55.207 54.840 0.090 0.000 0.752 5529 L CB -0.263 41.848 42.059 0.086 0.000 0.899 5529 L HN 0.242 nan 8.230 nan 0.000 0.433 5530 L N -0.118 121.138 121.223 0.056 0.000 2.083 5530 L HA -0.191 4.149 4.340 0.000 0.000 0.209 5530 L C 2.453 179.345 176.870 0.037 0.000 1.083 5530 L CA 1.704 56.570 54.840 0.043 0.000 0.752 5530 L CB -0.731 41.353 42.059 0.041 0.000 0.899 5530 L HN 0.159 nan 8.230 nan 0.000 0.433 5531 K N -1.499 118.924 120.400 0.038 0.000 2.148 5531 K HA -0.083 4.238 4.320 0.000 0.000 0.204 5531 K C 1.918 178.537 176.600 0.032 0.000 1.050 5531 K CA 1.463 57.769 56.287 0.032 0.000 0.942 5531 K CB -0.191 32.327 32.500 0.030 0.000 0.724 5531 K HN 0.307 nan 8.250 nan 0.000 0.446 5532 T N 1.979 116.557 114.554 0.039 0.000 2.777 5532 T HA -0.076 4.275 4.350 0.000 0.000 0.266 5532 T C 1.872 176.592 174.700 0.032 0.000 1.040 5532 T CA 1.268 63.391 62.100 0.039 0.000 1.141 5532 T CB -0.138 68.761 68.868 0.052 0.000 0.868 5532 T HN 0.383 nan 8.240 nan 0.000 0.444 5533 I N -0.301 120.289 120.570 0.034 0.000 3.419 5533 I HA 0.437 4.607 4.170 0.000 0.000 0.286 5533 I C 1.076 177.207 176.117 0.024 0.000 1.268 5533 I CA -0.525 60.793 61.300 0.029 0.000 1.414 5533 I CB -0.475 37.547 38.000 0.036 0.000 1.074 5533 I HN -0.051 nan 8.210 nan 0.000 0.457 5534 A N 1.550 124.385 122.820 0.024 0.000 2.546 5534 A HA 0.135 4.455 4.320 0.000 0.000 0.243 5534 A C 0.100 177.694 177.584 0.016 0.000 1.063 5534 A CA -0.021 52.028 52.037 0.020 0.000 0.757 5534 A CB -0.229 18.783 19.000 0.020 0.000 0.991 5534 A HN 0.638 nan 8.150 nan 0.000 0.503 5535 C N 3.413 122.721 119.300 0.014 0.000 2.273 5535 C HA 0.569 5.029 4.460 0.000 0.000 0.328 5535 C C 0.330 175.326 174.990 0.010 0.000 1.275 5535 C CA -0.616 58.408 59.018 0.011 0.000 1.704 5535 C CB -0.098 27.648 27.740 0.010 0.000 2.326 5535 C HN 0.943 nan 8.230 nan 0.000 0.517 5536 E N 3.614 123.819 120.200 0.009 0.000 2.324 5536 E HA 0.453 4.804 4.350 0.000 0.000 0.271 5536 E C -0.179 176.425 176.600 0.006 0.000 1.028 5536 E CA 0.072 56.476 56.400 0.007 0.000 0.890 5536 E CB 0.764 30.468 29.700 0.007 0.000 1.004 5536 E HN 0.719 nan 8.360 nan 0.000 0.431 5537 V N 1.532 121.449 119.914 0.006 0.000 3.040 5537 V HA 0.857 4.978 4.120 0.000 0.000 0.312 5537 V C 0.502 176.598 176.094 0.004 0.000 1.115 5537 V CA -0.752 61.550 62.300 0.005 0.000 0.998 5537 V CB 1.675 33.501 31.823 0.005 0.000 1.042 5537 V HN 0.681 nan 8.190 nan 0.000 0.433 5538 G N 0.565 109.368 108.800 0.004 0.000 2.365 5538 G HA2 0.479 4.439 3.960 0.000 0.000 0.249 5538 G HA3 0.479 4.439 3.960 0.000 0.000 0.249 5538 G C 0.967 175.869 174.900 0.004 0.000 1.288 5538 G CA 0.111 45.213 45.100 0.003 0.000 0.887 5538 G HN 1.665 nan 8.290 nan 0.000 0.524 5539 A N 2.192 125.014 122.820 0.004 0.000 1.972 5539 A HA -0.042 4.278 4.320 0.000 0.000 0.219 5539 A C 1.911 179.497 177.584 0.004 0.000 1.169 5539 A CA 1.203 53.242 52.037 0.004 0.000 0.635 5539 A CB 0.023 19.025 19.000 0.004 0.000 0.810 5539 A HN 0.519 nan 8.150 nan 0.000 0.446 5540 Q N -0.108 119.694 119.800 0.003 0.000 2.165 5540 Q HA 0.102 4.442 4.340 0.000 0.000 0.245 5540 Q C -0.986 175.015 176.000 0.003 0.000 0.841 5540 Q CA -0.163 55.642 55.803 0.003 0.000 1.078 5540 Q CB 0.148 28.888 28.738 0.003 0.000 1.169 5540 Q HN 0.715 nan 8.270 nan 0.000 0.475 5541 D N 0.875 121.276 120.400 0.003 0.000 2.346 5541 D HA -0.013 4.628 4.640 0.000 0.000 0.260 5541 D C 1.284 177.585 176.300 0.001 0.000 1.252 5541 D CA 0.117 54.118 54.000 0.002 0.000 0.895 5541 D CB 0.910 41.711 40.800 0.002 0.000 1.097 5541 D HN -0.210 nan 8.370 nan 0.000 0.489 5542 K N 3.581 123.981 120.400 0.001 0.000 2.077 5542 K HA -0.292 4.028 4.320 0.000 0.000 0.213 5542 K C 1.558 178.157 176.600 -0.001 0.000 1.051 5542 K CA 2.091 58.379 56.287 0.001 0.000 0.929 5542 K CB -0.130 32.370 32.500 0.000 0.000 0.715 5542 K HN 0.662 nan 8.250 nan 0.000 0.451 5543 E N -0.471 119.728 120.200 -0.001 0.000 2.023 5543 E HA -0.218 4.132 4.350 0.000 0.000 0.196 5543 E C 1.980 178.579 176.600 -0.003 0.000 1.003 5543 E CA 1.673 58.071 56.400 -0.003 0.000 0.809 5543 E CB -0.267 29.431 29.700 -0.003 0.000 0.755 5543 E HN 0.346 nan 8.360 nan 0.000 0.449 5544 I N 0.597 121.166 120.570 -0.001 0.000 2.614 5544 I HA -0.186 3.984 4.170 0.000 0.000 0.258 5544 I C 1.892 178.010 176.117 0.001 0.000 1.189 5544 I CA 0.641 61.941 61.300 -0.000 0.000 1.462 5544 I CB -0.056 37.945 38.000 0.002 0.000 1.092 5544 I HN 0.204 nan 8.210 nan 0.000 0.442 5545 L N 0.058 121.282 121.223 0.001 0.000 2.093 5545 L HA -0.158 4.182 4.340 0.000 0.000 0.208 5545 L C 2.664 179.534 176.870 0.001 0.000 1.085 5545 L CA 2.357 57.198 54.840 0.002 0.000 0.755 5545 L CB -1.543 40.517 42.059 0.002 0.000 0.904 5545 L HN 0.480 nan 8.230 nan 0.000 0.435 5546 T N -4.852 109.701 114.554 -0.002 0.000 3.014 5546 T HA -0.074 4.276 4.350 0.000 0.000 0.263 5546 T C 1.900 176.596 174.700 -0.006 0.000 1.078 5546 T CA 0.494 62.592 62.100 -0.004 0.000 1.135 5546 T CB -0.082 68.783 68.868 -0.006 0.000 0.895 5546 T HN 0.184 nan 8.240 nan 0.000 0.480 5547 K N 0.511 120.908 120.400 -0.006 0.000 2.103 5547 K HA 0.129 4.449 4.320 0.000 0.000 0.204 5547 K C 2.116 178.714 176.600 -0.003 0.000 1.052 5547 K CA 0.821 57.104 56.287 -0.008 0.000 0.945 5547 K CB -0.131 32.365 32.500 -0.006 0.000 0.722 5547 K HN 0.258 nan 8.250 nan 0.000 0.443 5548 I N 1.243 121.814 120.570 0.001 0.000 2.202 5548 I HA -0.192 3.978 4.170 0.000 0.000 0.242 5548 I C 2.496 178.617 176.117 0.007 0.000 1.091 5548 I CA 1.150 62.453 61.300 0.006 0.000 1.368 5548 I CB -1.315 36.688 38.000 0.007 0.000 1.058 5548 I HN 0.086 nan 8.210 nan 0.000 0.410 5549 A N 0.949 123.772 122.820 0.004 0.000 1.851 5549 A HA -0.234 4.086 4.320 0.000 0.000 0.216 5549 A C 2.408 179.994 177.584 0.004 0.000 1.195 5549 A CA 1.922 53.962 52.037 0.004 0.000 0.622 5549 A CB -0.673 18.328 19.000 0.002 0.000 0.831 5549 A HN 0.333 nan 8.150 nan 0.000 0.444 5550 M N -0.971 118.628 119.600 -0.002 0.000 2.132 5550 M HA -0.123 4.357 4.480 0.000 0.000 0.263 5550 M C 2.275 178.573 176.300 -0.004 0.000 1.065 5550 M CA 1.915 57.210 55.300 -0.008 0.000 1.122 5550 M CB -0.740 31.847 32.600 -0.021 0.000 1.365 5550 M HN 0.474 nan 8.290 nan 0.000 0.411 5551 T N -0.139 114.415 114.554 -0.000 0.000 2.720 5551 T HA -0.160 4.190 4.350 0.000 0.000 0.268 5551 T C 1.956 176.678 174.700 0.038 0.000 1.037 5551 T CA 1.917 64.027 62.100 0.016 0.000 1.144 5551 T CB -0.317 68.562 68.868 0.019 0.000 0.864 5551 T HN 0.395 nan 8.240 nan 0.000 0.444 5552 S N 0.514 116.231 115.700 0.028 0.000 2.368 5552 S HA -0.038 4.433 4.470 0.000 0.000 0.225 5552 S C 2.035 176.656 174.600 0.035 0.000 1.030 5552 S CA 0.877 59.095 58.200 0.030 0.000 0.999 5552 S CB -0.482 62.730 63.200 0.020 0.000 0.844 5552 S HN 0.471 nan 8.310 nan 0.000 0.459 5553 I N 1.533 122.120 120.570 0.029 0.000 2.315 5553 I HA -0.090 4.081 4.170 0.000 0.000 0.248 5553 I C 1.289 177.435 176.117 0.049 0.000 1.117 5553 I CA 0.881 62.199 61.300 0.030 0.000 1.404 5553 I CB -0.902 37.109 38.000 0.018 0.000 1.071 5553 I HN 0.421 nan 8.210 nan 0.000 0.419 5554 T N -0.465 114.127 114.554 0.063 0.000 2.932 5554 T HA 0.307 4.658 4.350 0.000 0.000 0.312 5554 T C 1.148 175.950 174.700 0.169 0.000 1.071 5554 T CA 0.115 62.287 62.100 0.121 0.000 1.128 5554 T CB 1.238 70.184 68.868 0.130 0.000 0.984 5554 T HN 0.618 nan 8.240 nan 0.000 0.549 5555 G N 1.400 110.323 108.800 0.205 0.000 2.157 5555 G HA2 -0.205 3.755 3.960 0.000 0.000 0.248 5555 G HA3 -0.205 3.755 3.960 0.000 0.000 0.248 5555 G C -0.057 174.881 174.900 0.063 0.000 0.979 5555 G CA 0.380 45.552 45.100 0.120 0.000 0.650 5555 G HN 0.934 nan 8.290 nan 0.000 0.529 5556 K N -0.900 119.540 120.400 0.066 0.000 2.295 5556 K HA 0.611 4.931 4.320 0.000 0.000 0.239 5556 K C 1.560 178.185 176.600 0.042 0.000 0.991 5556 K CA -0.512 55.801 56.287 0.043 0.000 0.845 5556 K CB 1.342 33.864 32.500 0.037 0.000 1.197 5556 K HN 0.156 nan 8.250 nan 0.000 0.441 5557 G N 0.421 109.240 108.800 0.032 0.000 2.432 5557 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 5557 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 5557 G C 1.224 176.142 174.900 0.029 0.000 1.135 5557 G CA 1.069 46.187 45.100 0.030 0.000 0.767 5557 G HN 0.614 nan 8.290 nan 0.000 0.550 5558 A N 1.431 124.268 122.820 0.028 0.000 2.216 5558 A HA 0.065 4.385 4.320 0.000 0.000 0.214 5558 A C 2.096 179.694 177.584 0.023 0.000 1.160 5558 A CA 1.555 53.606 52.037 0.024 0.000 0.725 5558 A CB -0.399 18.614 19.000 0.022 0.000 0.784 5558 A HN 0.664 nan 8.150 nan 0.000 0.472 5559 E N 0.021 120.238 120.200 0.029 0.000 2.333 5559 E HA -0.235 4.115 4.350 0.000 0.000 0.198 5559 E C 1.756 178.364 176.600 0.014 0.000 1.007 5559 E CA 1.052 57.467 56.400 0.025 0.000 0.845 5559 E CB -0.212 29.515 29.700 0.045 0.000 0.766 5559 E HN 0.377 nan 8.360 nan 0.000 0.507 5560 K N 1.284 121.694 120.400 0.017 0.000 2.074 5560 K HA -0.127 4.193 4.320 0.000 0.000 0.209 5560 K C 1.179 177.782 176.600 0.005 0.000 1.048 5560 K CA 1.683 57.976 56.287 0.011 0.000 0.926 5560 K CB -0.144 32.365 32.500 0.014 0.000 0.713 5560 K HN 0.262 nan 8.250 nan 0.000 0.444 5561 A N 1.051 123.875 122.820 0.006 0.000 2.676 5561 A HA 0.117 4.437 4.320 0.000 0.000 0.297 5561 A C 1.216 178.801 177.584 0.002 0.000 1.132 5561 A CA -0.265 51.774 52.037 0.003 0.000 0.972 5561 A CB -0.063 18.941 19.000 0.006 0.000 1.197 5561 A HN 0.383 nan 8.150 nan 0.000 0.524 5562 K N 0.028 120.427 120.400 -0.001 0.000 2.281 5562 K HA -0.201 4.120 4.320 0.000 0.000 0.203 5562 K C 0.817 177.414 176.600 -0.006 0.000 1.046 5562 K CA 1.926 58.211 56.287 -0.003 0.000 0.938 5562 K CB -0.099 32.396 32.500 -0.008 0.000 0.737 5562 K HN 0.333 nan 8.250 nan 0.000 0.458 5563 E N 1.443 121.638 120.200 -0.009 0.000 2.072 5563 E HA -0.055 4.295 4.350 0.000 0.000 0.190 5563 E C 1.744 178.342 176.600 -0.004 0.000 0.982 5563 E CA 1.244 57.639 56.400 -0.009 0.000 0.803 5563 E CB 0.060 29.753 29.700 -0.012 0.000 0.755 5563 E HN 0.356 nan 8.360 nan 0.000 0.453 5564 K N -0.034 120.366 120.400 -0.001 0.000 2.103 5564 K HA -0.057 4.264 4.320 0.000 0.000 0.204 5564 K C 1.779 178.381 176.600 0.004 0.000 1.052 5564 K CA 0.622 56.910 56.287 0.002 0.000 0.945 5564 K CB -0.042 32.460 32.500 0.004 0.000 0.722 5564 K HN 0.014 nan 8.250 nan 0.000 0.443 5565 L N 0.888 122.114 121.223 0.004 0.000 2.056 5565 L HA -0.099 4.242 4.340 0.000 0.000 0.207 5565 L C 2.363 179.236 176.870 0.005 0.000 1.078 5565 L CA 1.643 56.486 54.840 0.006 0.000 0.749 5565 L CB -0.934 41.129 42.059 0.007 0.000 0.901 5565 L HN 0.120 nan 8.230 nan 0.000 0.433 5566 A N -0.963 121.859 122.820 0.002 0.000 1.933 5566 A HA -0.225 4.095 4.320 0.000 0.000 0.218 5566 A C 2.299 179.884 177.584 0.002 0.000 1.175 5566 A CA 1.640 53.678 52.037 0.001 0.000 0.628 5566 A CB -0.486 18.513 19.000 -0.002 0.000 0.814 5566 A HN 0.389 nan 8.150 nan 0.000 0.444 5567 E N 0.309 120.510 120.200 0.001 0.000 2.077 5567 E HA -0.144 4.206 4.350 0.000 0.000 0.193 5567 E C 1.695 178.298 176.600 0.005 0.000 0.989 5567 E CA 1.487 57.888 56.400 0.002 0.000 0.800 5567 E CB -0.366 29.335 29.700 0.002 0.000 0.746 5567 E HN 0.647 nan 8.360 nan 0.000 0.452 5568 I N -0.309 120.265 120.570 0.006 0.000 2.179 5568 I HA -0.232 3.938 4.170 0.000 0.000 0.242 5568 I C 1.924 178.045 176.117 0.007 0.000 1.088 5568 I CA 0.700 62.005 61.300 0.008 0.000 1.357 5568 I CB -0.149 37.856 38.000 0.010 0.000 1.051 5568 I HN 0.158 nan 8.210 nan 0.000 0.409 5569 I N -0.303 120.270 120.570 0.006 0.000 2.353 5569 I HA -0.176 3.994 4.170 0.000 0.000 0.248 5569 I C 2.296 178.416 176.117 0.005 0.000 1.119 5569 I CA 1.153 62.456 61.300 0.005 0.000 1.417 5569 I CB -0.273 37.730 38.000 0.005 0.000 1.078 5569 I HN -0.059 nan 8.210 nan 0.000 0.421 5570 V N 0.153 120.070 119.914 0.005 0.000 2.379 5570 V HA -0.185 3.935 4.120 0.000 0.000 0.245 5570 V C 2.439 178.536 176.094 0.005 0.000 1.044 5570 V CA 1.491 63.794 62.300 0.004 0.000 1.036 5570 V CB -0.565 31.260 31.823 0.003 0.000 0.664 5570 V HN 0.360 nan 8.190 nan 0.000 0.453 5571 E N 0.373 120.576 120.200 0.006 0.000 2.106 5571 E HA -0.118 4.232 4.350 0.000 0.000 0.192 5571 E C 2.348 178.953 176.600 0.008 0.000 0.984 5571 E CA 1.387 57.792 56.400 0.007 0.000 0.806 5571 E CB -0.476 29.229 29.700 0.008 0.000 0.750 5571 E HN 0.553 nan 8.360 nan 0.000 0.458 5572 A N 1.004 123.829 122.820 0.008 0.000 1.902 5572 A HA -0.135 4.186 4.320 0.000 0.000 0.217 5572 A C 2.613 180.201 177.584 0.006 0.000 1.181 5572 A CA 1.479 53.521 52.037 0.007 0.000 0.623 5572 A CB -0.659 18.345 19.000 0.006 0.000 0.818 5572 A HN 0.132 nan 8.150 nan 0.000 0.443 5573 V N -0.270 119.648 119.914 0.005 0.000 2.270 5573 V HA -0.202 3.918 4.120 0.000 0.000 0.245 5573 V C 2.772 178.869 176.094 0.006 0.000 1.043 5573 V CA 2.292 64.595 62.300 0.005 0.000 1.014 5573 V CB -0.869 30.957 31.823 0.004 0.000 0.645 5573 V HN 0.547 nan 8.190 nan 0.000 0.447 5574 S N 0.214 115.918 115.700 0.007 0.000 2.400 5574 S HA -0.203 4.267 4.470 0.000 0.000 0.232 5574 S C 2.169 176.775 174.600 0.010 0.000 1.025 5574 S CA 1.446 59.650 58.200 0.007 0.000 0.993 5574 S CB -0.479 62.726 63.200 0.008 0.000 0.808 5574 S HN 0.656 nan 8.310 nan 0.000 0.478 5575 A N 0.980 123.807 122.820 0.011 0.000 1.898 5575 A HA -0.033 4.287 4.320 0.000 0.000 0.216 5575 A C 2.330 179.923 177.584 0.015 0.000 1.181 5575 A CA 1.736 53.783 52.037 0.016 0.000 0.620 5575 A CB -0.609 18.401 19.000 0.016 0.000 0.819 5575 A HN 0.587 nan 8.150 nan 0.000 0.442 5576 V N -3.818 116.102 119.914 0.010 0.000 3.565 5576 V HA 0.113 4.233 4.120 0.000 0.000 0.260 5576 V C 1.957 178.054 176.094 0.005 0.000 1.231 5576 V CA 1.033 63.338 62.300 0.007 0.000 1.100 5576 V CB -0.239 31.587 31.823 0.003 0.000 0.807 5576 V HN 0.161 nan 8.190 nan 0.000 0.454 5577 V N 0.833 120.749 119.914 0.004 0.000 2.626 5577 V HA -0.092 4.028 4.120 0.000 0.000 0.252 5577 V C 1.573 177.668 176.094 0.002 0.000 1.067 5577 V CA 2.480 64.781 62.300 0.003 0.000 1.081 5577 V CB -0.537 31.288 31.823 0.003 0.000 0.686 5577 V HN 0.854 nan 8.190 nan 0.000 0.468 5578 D N -0.729 119.673 120.400 0.003 0.000 4.438 5578 D HA -0.217 4.423 4.640 0.000 0.000 0.158 5578 D C 0.592 176.891 176.300 -0.001 0.000 0.686 5578 D CA 1.920 55.920 54.000 0.000 0.000 1.183 5578 D CB -1.258 39.541 40.800 -0.003 0.000 0.623 5578 D HN 0.574 nan 8.370 nan 0.000 0.521 5579 D N 1.338 121.736 120.400 -0.003 0.000 2.398 5579 D HA 0.221 4.861 4.640 0.000 0.000 0.247 5579 D C -0.153 176.147 176.300 -0.001 0.000 1.227 5579 D CA 0.130 54.129 54.000 -0.003 0.000 0.980 5579 D CB 0.517 41.315 40.800 -0.004 0.000 1.106 5579 D HN 0.287 nan 8.370 nan 0.000 0.493 5580 E N 0.145 120.345 120.200 -0.001 0.000 2.136 5580 E HA 0.502 4.853 4.350 0.000 0.000 0.246 5580 E C -0.815 175.785 176.600 0.001 0.000 1.017 5580 E CA -0.531 55.869 56.400 0.001 0.000 0.883 5580 E CB -0.457 29.243 29.700 0.001 0.000 1.199 5580 E HN 0.496 nan 8.360 nan 0.000 0.447 5581 G N 2.767 111.567 108.800 0.001 0.000 2.384 5581 G HA2 0.169 4.129 3.960 0.000 0.000 0.300 5581 G HA3 0.169 4.129 3.960 0.000 0.000 0.300 5581 G C -1.857 173.044 174.900 0.001 0.000 1.582 5581 G CA -0.800 44.301 45.100 0.001 0.000 0.875 5581 G HN 0.150 nan 8.290 nan 0.000 0.628 5582 K N 0.905 121.306 120.400 0.000 0.000 2.588 5582 K HA 0.575 4.895 4.320 0.000 0.000 0.250 5582 K C -1.577 175.023 176.600 0.000 0.000 0.972 5582 K CA -0.632 55.655 56.287 0.000 0.000 0.821 5582 K CB 2.120 34.620 32.500 -0.000 0.000 1.249 5582 K HN 0.939 nan 8.250 nan 0.000 0.442 5583 V N 3.244 123.159 119.914 0.000 0.000 2.483 5583 V HA 0.418 4.538 4.120 0.000 0.000 0.295 5583 V C -1.002 175.091 176.094 -0.001 0.000 1.035 5583 V CA -0.498 61.802 62.300 0.000 0.000 0.896 5583 V CB 1.588 33.411 31.823 0.001 0.000 0.986 5583 V HN 0.781 nan 8.190 nan 0.000 0.447 5584 D N 4.669 125.068 120.400 -0.002 0.000 2.329 5584 D HA 0.321 4.961 4.640 0.000 0.000 0.232 5584 D C 0.861 177.158 176.300 -0.005 0.000 1.088 5584 D CA -0.253 53.745 54.000 -0.004 0.000 0.835 5584 D CB 1.830 42.626 40.800 -0.006 0.000 1.078 5584 D HN 0.594 nan 8.370 nan 0.000 0.495 5585 K N 2.231 122.628 120.400 -0.005 0.000 2.281 5585 K HA -0.166 4.154 4.320 0.000 0.000 0.203 5585 K C 0.889 177.483 176.600 -0.010 0.000 1.046 5585 K CA 0.914 57.197 56.287 -0.006 0.000 0.938 5585 K CB 0.206 32.703 32.500 -0.005 0.000 0.737 5585 K HN 0.394 nan 8.250 nan 0.000 0.458 5586 D N 0.718 121.111 120.400 -0.012 0.000 2.269 5586 D HA -0.071 4.569 4.640 0.000 0.000 0.208 5586 D C 1.327 177.615 176.300 -0.020 0.000 0.963 5586 D CA 0.659 54.649 54.000 -0.017 0.000 0.864 5586 D CB 0.175 40.965 40.800 -0.018 0.000 0.936 5586 D HN 0.103 nan 8.370 nan 0.000 0.505 5587 L N -0.151 121.063 121.223 -0.015 0.000 2.558 5587 L HA 0.185 4.526 4.340 0.000 0.000 0.225 5587 L C 0.312 177.174 176.870 -0.013 0.000 1.128 5587 L CA 0.214 55.046 54.840 -0.014 0.000 0.868 5587 L CB 0.219 42.273 42.059 -0.009 0.000 1.006 5587 L HN 0.021 nan 8.230 nan 0.000 0.454 5588 I N 0.551 121.114 120.570 -0.012 0.000 2.502 5588 I HA 0.176 4.346 4.170 0.000 0.000 0.276 5588 I C 0.077 176.185 176.117 -0.015 0.000 1.057 5588 I CA -0.412 60.882 61.300 -0.010 0.000 1.163 5588 I CB 1.002 38.998 38.000 -0.005 0.000 1.288 5588 I HN -0.085 nan 8.210 nan 0.000 0.479 5589 K N 6.206 126.592 120.400 -0.022 0.000 2.368 5589 K HA 0.293 4.613 4.320 0.000 0.000 0.282 5589 K C -0.399 176.186 176.600 -0.024 0.000 1.035 5589 K CA -0.363 55.906 56.287 -0.029 0.000 0.973 5589 K CB 0.971 33.444 32.500 -0.045 0.000 0.957 5589 K HN 0.440 nan 8.250 nan 0.000 0.474 5590 I N 4.265 124.822 120.570 -0.022 0.000 2.287 5590 I HA 0.145 4.316 4.170 0.000 0.000 0.290 5590 I C 0.240 176.343 176.117 -0.023 0.000 1.069 5590 I CA -0.567 60.723 61.300 -0.017 0.000 1.237 5590 I CB 0.501 38.494 38.000 -0.011 0.000 1.418 5590 I HN 0.506 nan 8.210 nan 0.000 0.481 5591 E N 7.298 127.484 120.200 -0.024 0.000 2.183 5591 E HA 0.560 4.910 4.350 0.000 0.000 0.271 5591 E C -0.897 175.693 176.600 -0.017 0.000 0.919 5591 E CA -0.713 55.669 56.400 -0.031 0.000 0.781 5591 E CB 1.394 31.063 29.700 -0.051 0.000 1.140 5591 E HN 0.550 nan 8.360 nan 0.000 0.402 5592 K N 2.244 122.633 120.400 -0.017 0.000 2.427 5592 K HA 0.686 5.006 4.320 0.000 0.000 0.252 5592 K C -1.195 175.399 176.600 -0.010 0.000 0.931 5592 K CA -1.170 55.112 56.287 -0.010 0.000 0.793 5592 K CB 1.906 34.399 32.500 -0.011 0.000 1.211 5592 K HN 0.216 nan 8.250 nan 0.000 0.426 5593 K N 1.449 121.848 120.400 -0.002 0.000 2.581 5593 K HA 0.188 4.508 4.320 0.000 0.000 0.249 5593 K C -1.223 175.379 176.600 0.003 0.000 0.966 5593 K CA -0.366 55.922 56.287 0.001 0.000 0.811 5593 K CB 2.255 34.763 32.500 0.014 0.000 1.223 5593 K HN 0.697 nan 8.250 nan 0.000 0.438 5594 S N 2.572 118.269 115.700 -0.006 0.000 2.560 5594 S HA 0.593 5.063 4.470 0.000 0.000 0.284 5594 S C 0.018 174.621 174.600 0.005 0.000 1.327 5594 S CA 1.240 59.437 58.200 -0.005 0.000 1.055 5594 S CB -0.132 63.059 63.200 -0.015 0.000 0.868 5594 S HN 1.045 nan 8.310 nan 0.000 0.506 5595 G N 1.971 110.776 108.800 0.008 0.000 2.348 5595 G HA2 0.532 4.492 3.960 0.000 0.000 0.606 5595 G HA3 0.532 4.492 3.960 0.000 0.000 0.606 5595 G C -0.180 174.728 174.900 0.014 0.000 1.466 5595 G CA -0.032 45.075 45.100 0.012 0.000 0.950 5595 G HN 2.070 nan 8.290 nan 0.000 0.657 5596 A N -0.616 122.212 122.820 0.013 0.000 6.088 5596 A HA 0.419 4.739 4.320 0.000 0.000 0.261 5596 A C 1.266 178.858 177.584 0.013 0.000 2.138 5596 A CA 1.984 54.028 52.037 0.012 0.000 0.708 5596 A CB -1.808 17.200 19.000 0.014 0.000 1.068 5596 A HN 2.916 nan 8.150 nan 0.000 0.364 5597 S N -1.658 114.050 115.700 0.013 0.000 2.759 5597 S HA 0.733 5.203 4.470 0.000 0.000 0.310 5597 S C 1.056 175.665 174.600 0.014 0.000 1.123 5597 S CA 0.084 58.292 58.200 0.013 0.000 0.959 5597 S CB 1.317 64.523 63.200 0.011 0.000 1.172 5597 S HN 1.919 nan 8.310 nan 0.000 0.539 5598 I N 0.516 121.094 120.570 0.014 0.000 2.567 5598 I HA -0.137 4.033 4.170 0.000 0.000 0.257 5598 I C 1.068 177.192 176.117 0.012 0.000 1.184 5598 I CA 1.440 62.748 61.300 0.014 0.000 1.451 5598 I CB -0.231 37.777 38.000 0.015 0.000 1.089 5598 I HN 0.634 nan 8.210 nan 0.000 0.441 5599 D N 0.852 121.258 120.400 0.011 0.000 2.219 5599 D HA -0.159 4.482 4.640 0.000 0.000 0.205 5599 D C 1.268 177.574 176.300 0.010 0.000 0.970 5599 D CA 1.218 55.224 54.000 0.009 0.000 0.851 5599 D CB -0.176 40.628 40.800 0.007 0.000 0.943 5599 D HN 0.517 nan 8.370 nan 0.000 0.488 5600 D N -0.186 120.221 120.400 0.012 0.000 2.363 5600 D HA -0.027 4.614 4.640 0.000 0.000 0.220 5600 D C 0.251 176.563 176.300 0.019 0.000 0.994 5600 D CA 0.402 54.411 54.000 0.014 0.000 0.890 5600 D CB 0.076 40.885 40.800 0.015 0.000 0.906 5600 D HN -0.056 nan 8.370 nan 0.000 0.530 5601 T N 1.800 116.365 114.554 0.019 0.000 2.908 5601 T HA 0.130 4.481 4.350 0.000 0.000 0.301 5601 T C 0.214 174.927 174.700 0.022 0.000 1.019 5601 T CA 0.262 62.375 62.100 0.021 0.000 1.152 5601 T CB 0.307 69.185 68.868 0.017 0.000 0.966 5601 T HN 0.295 nan 8.240 nan 0.000 0.540 5602 E N 1.870 122.088 120.200 0.029 0.000 2.412 5602 E HA 0.582 4.932 4.350 0.000 0.000 0.279 5602 E C -1.621 175.001 176.600 0.036 0.000 0.984 5602 E CA -1.157 55.261 56.400 0.030 0.000 0.788 5602 E CB 1.168 30.888 29.700 0.033 0.000 1.277 5602 E HN 0.308 nan 8.360 nan 0.000 0.455 5603 L N 1.785 123.027 121.223 0.032 0.000 2.307 5603 L HA 0.514 4.855 4.340 0.000 0.000 0.282 5603 L C -1.122 175.775 176.870 0.045 0.000 1.051 5603 L CA -0.440 54.419 54.840 0.032 0.000 0.804 5603 L CB 1.069 43.141 42.059 0.022 0.000 1.197 5603 L HN 0.599 nan 8.230 nan 0.000 0.431 5604 I N 5.505 126.106 120.570 0.052 0.000 2.382 5604 I HA 0.261 4.431 4.170 0.000 0.000 0.285 5604 I C 0.030 176.178 176.117 0.052 0.000 1.007 5604 I CA -0.695 60.650 61.300 0.076 0.000 1.142 5604 I CB 1.149 39.221 38.000 0.122 0.000 1.289 5604 I HN 0.595 nan 8.210 nan 0.000 0.453 5605 K N 5.875 126.303 120.400 0.046 0.000 2.199 5605 K HA 0.548 4.868 4.320 0.000 0.000 0.226 5605 K C 0.187 176.809 176.600 0.036 0.000 1.237 5605 K CA -0.123 56.184 56.287 0.032 0.000 1.170 5605 K CB -0.084 32.430 32.500 0.022 0.000 1.418 5605 K HN 0.854 nan 8.250 nan 0.000 0.255 5606 G N 0.075 108.894 108.800 0.031 0.000 2.368 5606 G HA2 0.142 4.102 3.960 0.000 0.000 0.269 5606 G HA3 0.142 4.102 3.960 0.000 0.000 0.269 5606 G C -1.714 173.186 174.900 0.000 0.000 1.291 5606 G CA -0.708 44.406 45.100 0.023 0.000 0.903 5606 G HN 0.145 nan 8.290 nan 0.000 0.483 5607 V N 0.627 120.529 119.914 -0.020 0.000 2.540 5607 V HA 0.674 4.794 4.120 0.000 0.000 0.302 5607 V C -0.639 175.379 176.094 -0.126 0.000 1.035 5607 V CA -0.655 61.600 62.300 -0.074 0.000 0.873 5607 V CB 1.455 33.219 31.823 -0.098 0.000 0.992 5607 V HN 0.885 nan 8.190 nan 0.000 0.428 5608 L N 6.747 127.850 121.223 -0.200 0.000 2.265 5608 L HA 0.673 5.013 4.340 0.000 0.000 0.289 5608 L C -0.455 176.259 176.870 -0.260 0.000 1.033 5608 L CA 0.152 54.764 54.840 -0.379 0.000 0.814 5608 L CB 1.493 43.231 42.059 -0.535 0.000 1.203 5608 L HN 0.445 nan 8.230 nan 0.000 0.423 5609 V N 4.488 124.270 119.914 -0.220 0.000 2.472 5609 V HA 0.313 4.433 4.120 0.000 0.000 0.290 5609 V C -0.219 175.820 176.094 -0.090 0.000 1.037 5609 V CA -0.626 61.603 62.300 -0.118 0.000 0.908 5609 V CB 1.608 33.407 31.823 -0.040 0.000 0.985 5609 V HN 0.830 nan 8.190 nan 0.000 0.454 5610 D N 3.600 123.963 120.400 -0.062 0.000 3.085 5610 D HA 0.192 4.832 4.640 0.000 0.000 0.243 5610 D C 0.057 176.356 176.300 -0.002 0.000 1.232 5610 D CA -0.276 53.699 54.000 -0.042 0.000 0.913 5610 D CB 0.115 40.891 40.800 -0.041 0.000 1.108 5610 D HN 0.243 nan 8.370 nan 0.000 0.468 5611 K N 0.519 120.932 120.400 0.023 0.000 2.439 5611 K HA 0.423 4.744 4.320 0.000 0.000 0.260 5611 K C 0.345 176.971 176.600 0.043 0.000 1.032 5611 K CA -0.646 55.668 56.287 0.045 0.000 0.882 5611 K CB 2.359 34.912 32.500 0.089 0.000 1.420 5611 K HN 0.331 nan 8.250 nan 0.000 0.455 5612 E N 0.645 120.862 120.200 0.029 0.000 2.393 5612 E HA 0.402 4.752 4.350 0.000 0.000 0.265 5612 E C -0.681 175.913 176.600 -0.009 0.000 0.941 5612 E CA -0.909 55.501 56.400 0.017 0.000 0.801 5612 E CB 1.158 30.866 29.700 0.013 0.000 1.313 5612 E HN 0.209 nan 8.360 nan 0.000 0.435 5613 R N 1.025 121.514 120.500 -0.019 0.000 2.351 5613 R HA 0.103 4.443 4.340 0.000 0.000 0.318 5613 R C 1.044 177.315 176.300 -0.049 0.000 1.055 5613 R CA -0.105 55.967 56.100 -0.047 0.000 0.968 5613 R CB 0.532 30.805 30.300 -0.044 0.000 0.974 5613 R HN 0.516 nan 8.270 nan 0.000 0.439 5614 V N 1.980 121.857 119.914 -0.061 0.000 2.688 5614 V HA -0.154 3.966 4.120 0.000 0.000 0.256 5614 V C 0.773 176.825 176.094 -0.069 0.000 1.084 5614 V CA 1.912 64.179 62.300 -0.054 0.000 1.103 5614 V CB 0.052 31.842 31.823 -0.055 0.000 0.688 5614 V HN 0.726 nan 8.190 nan 0.000 0.480 5615 S N -2.119 113.528 115.700 -0.088 0.000 2.526 5615 S HA 0.667 5.137 4.470 0.000 0.000 0.293 5615 S C 0.789 175.333 174.600 -0.094 0.000 1.092 5615 S CA -0.167 57.961 58.200 -0.119 0.000 0.980 5615 S CB 1.857 64.944 63.200 -0.188 0.000 1.048 5615 S HN 0.480 nan 8.310 nan 0.000 0.483 5616 A N 2.857 125.624 122.820 -0.088 0.000 2.070 5616 A HA -0.055 4.265 4.320 0.000 0.000 0.220 5616 A C 1.863 179.408 177.584 -0.066 0.000 1.159 5616 A CA 1.611 53.611 52.037 -0.063 0.000 0.656 5616 A CB -0.585 18.385 19.000 -0.050 0.000 0.800 5616 A HN 0.888 nan 8.150 nan 0.000 0.453 5617 Q N -1.110 118.633 119.800 -0.095 0.000 2.424 5617 Q HA 0.176 4.517 4.340 0.000 0.000 0.204 5617 Q C 0.397 176.356 176.000 -0.068 0.000 0.933 5617 Q CA -0.140 55.614 55.803 -0.082 0.000 0.929 5617 Q CB -0.065 28.607 28.738 -0.110 0.000 1.037 5617 Q HN 0.670 nan 8.270 nan 0.000 0.511 5618 M N 2.104 121.660 119.600 -0.074 0.000 2.242 5618 M HA 0.259 4.739 4.480 0.000 0.000 0.344 5618 M C -2.049 174.226 176.300 -0.042 0.000 1.140 5618 M CA -1.945 53.320 55.300 -0.059 0.000 1.160 5618 M CB 0.583 33.141 32.600 -0.069 0.000 1.491 5618 M HN -0.062 nan 8.290 nan 0.000 0.459 5619 P HA 0.014 nan 4.420 nan 0.000 0.266 5619 P C -0.520 176.766 177.300 -0.024 0.000 1.193 5619 P CA 0.287 63.373 63.100 -0.024 0.000 0.770 5619 P CB 0.472 32.160 31.700 -0.019 0.000 0.836 5620 K N 0.789 121.180 120.400 -0.015 0.000 2.367 5620 K HA 0.104 4.424 4.320 0.000 0.000 0.194 5620 K C 0.518 177.119 176.600 0.002 0.000 1.027 5620 K CA 0.359 56.642 56.287 -0.007 0.000 1.075 5620 K CB 0.366 32.862 32.500 -0.006 0.000 0.845 5620 K HN 0.311 nan 8.250 nan 0.000 0.529 5621 K N 1.191 121.590 120.400 -0.001 0.000 2.581 5621 K HA 0.267 4.588 4.320 0.000 0.000 0.249 5621 K C -1.816 174.785 176.600 0.003 0.000 0.966 5621 K CA -0.467 55.822 56.287 0.004 0.000 0.811 5621 K CB 1.986 34.485 32.500 -0.001 0.000 1.223 5621 K HN -0.239 nan 8.250 nan 0.000 0.438 5622 V N 3.121 123.041 119.914 0.010 0.000 2.531 5622 V HA 0.431 4.551 4.120 0.000 0.000 0.301 5622 V C -0.217 175.887 176.094 0.017 0.000 1.034 5622 V CA -0.716 61.590 62.300 0.009 0.000 0.865 5622 V CB 1.748 33.574 31.823 0.005 0.000 0.995 5622 V HN 0.944 nan 8.190 nan 0.000 0.424 5623 T N -0.121 114.440 114.554 0.012 0.000 2.925 5623 T HA 0.589 4.939 4.350 0.000 0.000 0.285 5623 T C 0.000 174.709 174.700 0.014 0.000 1.021 5623 T CA -0.319 61.789 62.100 0.013 0.000 1.042 5623 T CB 1.422 70.294 68.868 0.007 0.000 1.037 5623 T HN 0.763 nan 8.240 nan 0.000 0.481 5624 D N 0.180 120.589 120.400 0.016 0.000 2.699 5624 D HA -0.137 4.503 4.640 0.000 0.000 0.239 5624 D C 0.226 176.539 176.300 0.022 0.000 1.136 5624 D CA 0.865 54.875 54.000 0.016 0.000 0.668 5624 D CB -1.246 39.561 40.800 0.011 0.000 1.060 5624 D HN 1.096 nan 8.370 nan 0.000 0.429 5625 A N 1.478 124.316 122.820 0.030 0.000 2.425 5625 A HA 0.454 4.775 4.320 0.000 0.000 0.249 5625 A C 0.464 178.074 177.584 0.043 0.000 1.084 5625 A CA -0.024 52.036 52.037 0.038 0.000 0.781 5625 A CB 0.675 19.708 19.000 0.055 0.000 1.019 5625 A HN 0.145 nan 8.150 nan 0.000 0.490 5626 K N 2.774 123.198 120.400 0.040 0.000 2.404 5626 K HA 0.377 4.697 4.320 0.000 0.000 0.257 5626 K C -1.222 175.414 176.600 0.060 0.000 1.026 5626 K CA -0.254 56.059 56.287 0.044 0.000 0.951 5626 K CB 1.037 33.555 32.500 0.031 0.000 1.203 5626 K HN 0.542 nan 8.250 nan 0.000 0.446 5627 I N 2.205 122.828 120.570 0.088 0.000 2.371 5627 I HA 0.180 4.350 4.170 0.000 0.000 0.290 5627 I C 0.396 176.586 176.117 0.123 0.000 1.028 5627 I CA -0.090 61.297 61.300 0.146 0.000 1.345 5627 I CB 1.317 39.436 38.000 0.199 0.000 1.407 5627 I HN 0.504 nan 8.210 nan 0.000 0.501 5628 A N 7.581 130.482 122.820 0.134 0.000 2.330 5628 A HA 0.854 5.174 4.320 0.000 0.000 0.327 5628 A C -0.786 176.891 177.584 0.155 0.000 1.155 5628 A CA -0.564 51.536 52.037 0.105 0.000 0.803 5628 A CB 0.677 19.715 19.000 0.062 0.000 1.208 5628 A HN 0.653 nan 8.150 nan 0.000 0.477 5629 L N 3.474 124.763 121.223 0.110 0.000 2.345 5629 L HA 0.469 4.809 4.340 0.000 0.000 0.274 5629 L C -1.033 175.878 176.870 0.069 0.000 0.999 5629 L CA -0.051 54.851 54.840 0.104 0.000 0.849 5629 L CB 0.928 43.024 42.059 0.061 0.000 1.220 5629 L HN 0.568 nan 8.230 nan 0.000 0.422 5630 L N 2.878 124.146 121.223 0.074 0.000 2.365 5630 L HA 0.420 4.761 4.340 0.000 0.000 0.273 5630 L C 0.358 177.257 176.870 0.048 0.000 1.000 5630 L CA -0.538 54.332 54.840 0.050 0.000 0.819 5630 L CB 2.084 44.169 42.059 0.044 0.000 1.284 5630 L HN 0.580 nan 8.230 nan 0.000 0.418 5631 N N -0.241 118.480 118.700 0.034 0.000 2.205 5631 N HA 0.020 4.760 4.740 0.000 0.000 0.201 5631 N C 0.097 175.622 175.510 0.025 0.000 1.128 5631 N CA -0.309 52.759 53.050 0.029 0.000 0.867 5631 N CB 0.282 38.782 38.487 0.022 0.000 0.996 5631 N HN 0.407 nan 8.380 nan 0.000 0.503 5632 C N 1.659 120.973 119.300 0.024 0.000 2.499 5632 C HA 0.763 5.223 4.460 0.000 0.000 0.386 5632 C C 0.968 175.972 174.990 0.023 0.000 1.293 5632 C CA -0.961 58.069 59.018 0.021 0.000 1.884 5632 C CB -1.350 26.401 27.740 0.019 0.000 2.509 5632 C HN 0.564 nan 8.230 nan 0.000 0.566 5633 A N 6.340 129.172 122.820 0.021 0.000 2.540 5633 A HA 0.361 4.681 4.320 0.000 0.000 0.239 5633 A C 0.174 177.772 177.584 0.023 0.000 1.061 5633 A CA 0.134 52.185 52.037 0.022 0.000 0.758 5633 A CB -0.035 18.977 19.000 0.019 0.000 0.991 5633 A HN 0.894 nan 8.150 nan 0.000 0.502 5634 I N 2.363 122.948 120.570 0.025 0.000 2.257 5634 I HA 0.231 4.401 4.170 0.000 0.000 0.290 5634 I C 0.322 176.460 176.117 0.034 0.000 1.137 5634 I CA 0.469 61.786 61.300 0.029 0.000 1.255 5634 I CB -0.174 37.844 38.000 0.031 0.000 1.485 5634 I HN 0.784 nan 8.210 nan 0.000 0.534 5635 E N 5.071 125.289 120.200 0.030 0.000 2.317 5635 E HA 0.326 4.676 4.350 0.000 0.000 0.270 5635 E C -1.277 175.340 176.600 0.027 0.000 0.899 5635 E CA -0.512 55.907 56.400 0.031 0.000 0.814 5635 E CB 1.426 31.141 29.700 0.026 0.000 1.296 5635 E HN 0.260 nan 8.360 nan 0.000 0.404 5636 E N 2.725 122.944 120.200 0.032 0.000 2.256 5636 E HA 0.250 4.600 4.350 0.000 0.000 0.268 5636 E C -0.843 175.773 176.600 0.027 0.000 0.877 5636 E CA -0.766 55.650 56.400 0.025 0.000 0.757 5636 E CB 2.148 31.861 29.700 0.023 0.000 1.183 5636 E HN 0.459 nan 8.360 nan 0.000 0.418 5637 T N 1.560 116.126 114.554 0.020 0.000 2.934 5637 T HA 0.327 4.677 4.350 0.000 0.000 0.306 5637 T C 0.189 174.902 174.700 0.021 0.000 1.042 5637 T CA 0.835 62.946 62.100 0.018 0.000 1.145 5637 T CB 0.207 69.083 68.868 0.013 0.000 0.982 5637 T HN 0.720 nan 8.240 nan 0.000 0.544 5638 A N 2.554 125.388 122.820 0.024 0.000 2.435 5638 A HA -0.089 4.231 4.320 0.000 0.000 0.686 5638 A C 1.587 179.199 177.584 0.046 0.000 0.138 5638 A CA 0.268 52.322 52.037 0.027 0.000 0.024 5638 A CB -1.523 17.488 19.000 0.018 0.000 3.974 5638 A HN 0.942 nan 8.150 nan 0.000 0.548 5639 S N 0.117 115.856 115.700 0.064 0.000 2.383 5639 S HA -0.131 4.339 4.470 0.000 0.000 0.227 5639 S C 1.635 176.285 174.600 0.083 0.000 1.026 5639 S CA 2.050 60.328 58.200 0.131 0.000 0.981 5639 S CB -0.176 63.123 63.200 0.165 0.000 0.818 5639 S HN 1.044 nan 8.310 nan 0.000 0.472 5640 E N 0.735 120.950 120.200 0.024 0.000 2.106 5640 E HA -0.036 4.314 4.350 0.000 0.000 0.192 5640 E C 1.955 178.527 176.600 -0.046 0.000 0.984 5640 E CA 1.261 57.641 56.400 -0.034 0.000 0.806 5640 E CB -0.177 29.511 29.700 -0.020 0.000 0.750 5640 E HN 0.401 nan 8.360 nan 0.000 0.458 5641 M N -0.352 119.240 119.600 -0.014 0.000 2.200 5641 M HA -0.014 4.466 4.480 0.000 0.000 0.265 5641 M C 2.055 178.348 176.300 -0.010 0.000 1.066 5641 M CA 0.787 56.080 55.300 -0.012 0.000 1.127 5641 M CB -0.742 31.858 32.600 0.001 0.000 1.379 5641 M HN 0.237 nan 8.290 nan 0.000 0.420 5642 L N 0.621 121.852 121.223 0.012 0.000 2.179 5642 L HA -0.068 4.272 4.340 0.000 0.000 0.208 5642 L C 2.316 179.188 176.870 0.003 0.000 1.096 5642 L CA 1.752 56.614 54.840 0.036 0.000 0.779 5642 L CB -0.730 41.383 42.059 0.090 0.000 0.922 5642 L HN 0.222 nan 8.230 nan 0.000 0.443 5643 K N -0.644 119.696 120.400 -0.100 0.000 2.147 5643 K HA -0.246 4.074 4.320 0.000 0.000 0.205 5643 K C 1.803 178.279 176.600 -0.207 0.000 1.049 5643 K CA 1.700 57.774 56.287 -0.356 0.000 0.936 5643 K CB -0.156 31.895 32.500 -0.747 0.000 0.722 5643 K HN 0.396 nan 8.250 nan 0.000 0.446 5644 D N -0.077 120.248 120.400 -0.125 0.000 2.144 5644 D HA -0.163 4.477 4.640 0.000 0.000 0.199 5644 D C 1.836 178.105 176.300 -0.051 0.000 0.984 5644 D CA 1.190 55.143 54.000 -0.080 0.000 0.834 5644 D CB 0.169 40.938 40.800 -0.053 0.000 0.955 5644 D HN 0.137 nan 8.370 nan 0.000 0.465 5645 M N -0.096 119.483 119.600 -0.034 0.000 2.132 5645 M HA -0.081 4.399 4.480 0.000 0.000 0.263 5645 M C 2.297 178.593 176.300 -0.008 0.000 1.065 5645 M CA 0.651 55.944 55.300 -0.011 0.000 1.122 5645 M CB -0.797 31.806 32.600 0.005 0.000 1.365 5645 M HN 0.030 nan 8.290 nan 0.000 0.411 5646 V N 0.658 120.566 119.914 -0.011 0.000 2.343 5646 V HA -0.234 3.887 4.120 0.000 0.000 0.247 5646 V C 2.715 178.800 176.094 -0.015 0.000 1.051 5646 V CA 1.870 64.172 62.300 0.003 0.000 1.036 5646 V CB -1.357 30.483 31.823 0.028 0.000 0.654 5646 V HN 0.485 nan 8.190 nan 0.000 0.451 5647 A N -0.166 122.627 122.820 -0.046 0.000 1.933 5647 A HA -0.237 4.083 4.320 0.000 0.000 0.218 5647 A C 2.186 179.756 177.584 -0.023 0.000 1.175 5647 A CA 1.959 53.971 52.037 -0.042 0.000 0.628 5647 A CB -0.450 18.512 19.000 -0.064 0.000 0.814 5647 A HN 0.560 nan 8.150 nan 0.000 0.444 5648 E N 0.284 120.472 120.200 -0.020 0.000 2.106 5648 E HA -0.098 4.252 4.350 0.000 0.000 0.192 5648 E C 1.666 178.264 176.600 -0.002 0.000 0.984 5648 E CA 1.259 57.653 56.400 -0.010 0.000 0.806 5648 E CB -0.355 29.340 29.700 -0.008 0.000 0.750 5648 E HN 0.645 nan 8.360 nan 0.000 0.458 5649 I N 0.434 121.004 120.570 0.000 0.000 2.252 5649 I HA -0.211 3.959 4.170 0.000 0.000 0.245 5649 I C 2.511 178.632 176.117 0.005 0.000 1.102 5649 I CA 0.919 62.223 61.300 0.006 0.000 1.385 5649 I CB -0.326 37.680 38.000 0.009 0.000 1.064 5649 I HN 0.068 nan 8.210 nan 0.000 0.414 5650 K N 1.753 122.154 120.400 0.002 0.000 2.097 5650 K HA -0.146 4.174 4.320 0.000 0.000 0.206 5650 K C 2.099 178.700 176.600 0.002 0.000 1.049 5650 K CA 1.745 58.033 56.287 0.003 0.000 0.933 5650 K CB -0.220 32.281 32.500 0.001 0.000 0.717 5650 K HN 0.292 nan 8.250 nan 0.000 0.442 5651 A N 0.561 123.381 122.820 -0.001 0.000 1.978 5651 A HA -0.111 4.209 4.320 0.000 0.000 0.220 5651 A C 2.248 179.834 177.584 0.003 0.000 1.170 5651 A CA 2.051 54.088 52.037 -0.001 0.000 0.636 5651 A CB -0.525 18.472 19.000 -0.004 0.000 0.810 5651 A HN 0.380 nan 8.150 nan 0.000 0.448 5652 S N -1.814 113.889 115.700 0.005 0.000 2.447 5652 S HA 0.232 4.703 4.470 0.000 0.000 0.233 5652 S C 1.550 176.156 174.600 0.010 0.000 1.006 5652 S CA 1.245 59.450 58.200 0.009 0.000 0.957 5652 S CB -0.149 63.058 63.200 0.012 0.000 0.773 5652 S HN 1.696 nan 8.310 nan 0.000 0.507 5653 G N 0.727 109.533 108.800 0.009 0.000 2.163 5653 G HA2 -0.106 3.854 3.960 0.000 0.000 0.213 5653 G HA3 -0.106 3.854 3.960 0.000 0.000 0.213 5653 G C 0.120 175.027 174.900 0.012 0.000 0.991 5653 G CA -0.176 44.931 45.100 0.010 0.000 0.653 5653 G HN 0.835 nan 8.290 nan 0.000 0.518 5654 A N 0.044 122.871 122.820 0.013 0.000 2.540 5654 A HA 0.564 4.884 4.320 0.000 0.000 0.239 5654 A C 1.188 178.775 177.584 0.006 0.000 1.061 5654 A CA 1.035 53.080 52.037 0.015 0.000 0.758 5654 A CB 0.169 19.178 19.000 0.015 0.000 0.991 5654 A HN 0.374 nan 8.150 nan 0.000 0.502 5655 N N 0.617 119.321 118.700 0.005 0.000 2.382 5655 N HA 0.116 4.856 4.740 0.000 0.000 0.200 5655 N C -0.656 174.837 175.510 -0.028 0.000 1.122 5655 N CA 0.525 53.572 53.050 -0.006 0.000 0.870 5655 N CB 0.903 39.392 38.487 0.003 0.000 1.176 5655 N HN 0.389 nan 8.380 nan 0.000 0.474 5656 V N 2.390 122.287 119.914 -0.029 0.000 2.487 5656 V HA 0.445 4.565 4.120 0.000 0.000 0.298 5656 V C -0.966 175.058 176.094 -0.115 0.000 1.028 5656 V CA -0.831 61.411 62.300 -0.097 0.000 0.860 5656 V CB 2.390 34.190 31.823 -0.039 0.000 0.991 5656 V HN 0.004 nan 8.190 nan 0.000 0.427 5657 L N 5.572 126.645 121.223 -0.250 0.000 2.381 5657 L HA 0.712 5.052 4.340 0.000 0.000 0.274 5657 L C -1.418 175.238 176.870 -0.357 0.000 0.988 5657 L CA -0.023 54.713 54.840 -0.174 0.000 0.824 5657 L CB 1.473 43.480 42.059 -0.087 0.000 1.263 5657 L HN 0.469 nan 8.230 nan 0.000 0.410 5658 F N 4.878 124.830 119.950 0.005 0.000 2.375 5658 F HA 0.459 4.986 4.527 0.000 0.000 0.361 5658 F C 0.142 175.943 175.800 0.003 0.000 1.117 5658 F CA -0.361 57.640 58.000 0.001 0.000 1.037 5658 F CB 1.405 40.404 39.000 -0.002 0.000 1.192 5658 F HN 0.509 nan 8.300 nan 0.000 0.452 5659 C N 5.031 124.410 119.300 0.132 0.000 2.303 5659 C HA 0.253 4.713 4.460 0.000 0.000 0.326 5659 C C 1.613 176.654 174.990 0.085 0.000 1.285 5659 C CA -0.423 58.646 59.018 0.085 0.000 1.675 5659 C CB 0.777 28.543 27.740 0.042 0.000 2.289 5659 C HN 0.948 nan 8.230 nan 0.000 0.512 5660 Q N 3.413 123.254 119.800 0.068 0.000 2.079 5660 Q HA -0.048 4.292 4.340 0.000 0.000 0.200 5660 Q C 1.022 177.045 176.000 0.038 0.000 0.974 5660 Q CA 1.664 57.497 55.803 0.050 0.000 0.840 5660 Q CB 0.169 28.928 28.738 0.035 0.000 0.898 5660 Q HN 0.777 nan 8.270 nan 0.000 0.430 5661 K N -1.133 119.287 120.400 0.033 0.000 2.842 5661 K HA 0.397 4.718 4.320 0.000 0.000 0.310 5661 K C 0.494 177.109 176.600 0.026 0.000 0.992 5661 K CA -0.117 56.186 56.287 0.026 0.000 1.207 5661 K CB -0.243 32.270 32.500 0.022 0.000 1.478 5661 K HN 0.105 nan 8.250 nan 0.000 0.601 5662 G N 0.325 109.138 108.800 0.022 0.000 2.504 5662 G HA2 0.501 4.462 3.960 0.000 0.000 0.288 5662 G HA3 0.501 4.462 3.960 0.000 0.000 0.288 5662 G C -0.633 174.279 174.900 0.020 0.000 1.182 5662 G CA -0.630 44.482 45.100 0.019 0.000 0.894 5662 G HN 0.337 nan 8.290 nan 0.000 0.521 5663 I N 0.843 121.423 120.570 0.018 0.000 2.447 5663 I HA 0.167 4.338 4.170 0.000 0.000 0.287 5663 I C -0.539 175.593 176.117 0.026 0.000 1.023 5663 I CA -0.761 60.552 61.300 0.021 0.000 1.083 5663 I CB 1.991 39.998 38.000 0.011 0.000 1.245 5663 I HN 0.410 nan 8.210 nan 0.000 0.434 5664 D N 5.334 125.755 120.400 0.036 0.000 2.414 5664 D HA -0.035 4.605 4.640 0.000 0.000 0.242 5664 D C 0.676 177.011 176.300 0.058 0.000 1.129 5664 D CA 0.103 54.128 54.000 0.042 0.000 0.885 5664 D CB 1.356 42.183 40.800 0.045 0.000 1.198 5664 D HN 0.497 nan 8.370 nan 0.000 0.437 5665 D N 2.969 123.407 120.400 0.064 0.000 2.190 5665 D HA -0.169 4.471 4.640 0.000 0.000 0.200 5665 D C 1.921 178.333 176.300 0.187 0.000 0.992 5665 D CA 0.747 54.819 54.000 0.120 0.000 0.854 5665 D CB 0.258 41.128 40.800 0.117 0.000 0.936 5665 D HN 0.341 nan 8.370 nan 0.000 0.462 5666 L N 0.954 122.224 121.223 0.079 0.000 2.046 5666 L HA -0.102 4.238 4.340 0.000 0.000 0.208 5666 L C 2.494 179.428 176.870 0.107 0.000 1.077 5666 L CA 1.255 56.112 54.840 0.027 0.000 0.747 5666 L CB -0.958 41.136 42.059 0.058 0.000 0.896 5666 L HN -0.049 nan 8.230 nan 0.000 0.432 5667 A N -1.423 121.489 122.820 0.153 0.000 1.930 5667 A HA -0.207 4.113 4.320 0.000 0.000 0.217 5667 A C 2.209 179.869 177.584 0.125 0.000 1.175 5667 A CA 1.212 53.358 52.037 0.180 0.000 0.627 5667 A CB -0.396 18.672 19.000 0.114 0.000 0.815 5667 A HN 0.516 nan 8.150 nan 0.000 0.443 5668 Q N -1.180 118.664 119.800 0.073 0.000 2.124 5668 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 5668 Q C 1.920 177.874 176.000 -0.076 0.000 0.977 5668 Q CA 1.868 57.661 55.803 -0.016 0.000 0.850 5668 Q CB -0.293 28.401 28.738 -0.074 0.000 0.901 5668 Q HN 0.863 nan 8.270 nan 0.000 0.429 5669 H N -1.296 117.712 119.070 -0.103 0.000 2.363 5669 H HA -0.106 4.450 4.556 0.000 0.000 0.301 5669 H C 1.321 176.564 175.328 -0.142 0.000 1.074 5669 H CA 1.391 57.336 56.048 -0.172 0.000 1.354 5669 H CB 0.027 29.606 29.762 -0.305 0.000 1.397 5669 H HN 0.240 nan 8.280 nan 0.000 0.516 5670 Y N 0.100 120.466 120.300 0.111 0.000 2.314 5670 Y HA -0.077 4.473 4.550 0.000 0.000 0.293 5670 Y C 2.255 178.168 175.900 0.022 0.000 1.129 5670 Y CA 0.603 58.736 58.100 0.054 0.000 1.201 5670 Y CB -0.487 37.997 38.460 0.040 0.000 0.999 5670 Y HN 0.127 nan 8.280 nan 0.000 0.541 5671 L N -1.034 120.284 121.223 0.157 0.000 2.046 5671 L HA -0.213 4.127 4.340 0.000 0.000 0.208 5671 L C 2.620 179.507 176.870 0.028 0.000 1.077 5671 L CA 1.155 56.035 54.840 0.068 0.000 0.747 5671 L CB -0.771 41.306 42.059 0.029 0.000 0.896 5671 L HN 0.191 nan 8.230 nan 0.000 0.432 5672 A N 0.020 122.842 122.820 0.003 0.000 1.933 5672 A HA -0.204 4.116 4.320 0.000 0.000 0.218 5672 A C 2.303 179.892 177.584 0.008 0.000 1.175 5672 A CA 1.528 53.551 52.037 -0.023 0.000 0.628 5672 A CB -0.308 18.646 19.000 -0.077 0.000 0.814 5672 A HN 0.308 nan 8.150 nan 0.000 0.444 5673 K N -0.368 120.060 120.400 0.045 0.000 2.147 5673 K HA -0.096 4.224 4.320 0.000 0.000 0.205 5673 K C 1.377 178.009 176.600 0.054 0.000 1.049 5673 K CA 1.238 57.563 56.287 0.063 0.000 0.936 5673 K CB -0.028 32.544 32.500 0.121 0.000 0.722 5673 K HN 0.384 nan 8.250 nan 0.000 0.446 5674 E N -0.469 119.764 120.200 0.055 0.000 2.478 5674 E HA 0.003 4.354 4.350 0.000 0.000 0.194 5674 E C 0.897 177.508 176.600 0.018 0.000 1.045 5674 E CA 0.525 56.946 56.400 0.036 0.000 0.868 5674 E CB 0.596 30.319 29.700 0.037 0.000 0.885 5674 E HN 0.477 nan 8.360 nan 0.000 0.505 5675 G N 1.950 110.757 108.800 0.011 0.000 2.147 5675 G HA2 -0.284 3.676 3.960 0.000 0.000 0.244 5675 G HA3 -0.284 3.676 3.960 0.000 0.000 0.244 5675 G C 0.222 175.116 174.900 -0.010 0.000 1.005 5675 G CA 0.174 45.273 45.100 -0.002 0.000 0.713 5675 G HN 0.253 nan 8.290 nan 0.000 0.515 5676 I N 1.039 121.603 120.570 -0.011 0.000 2.315 5676 I HA 0.444 4.614 4.170 0.000 0.000 0.291 5676 I C 0.994 177.083 176.117 -0.047 0.000 1.006 5676 I CA -1.169 60.116 61.300 -0.024 0.000 1.265 5676 I CB 1.572 39.563 38.000 -0.014 0.000 1.387 5676 I HN 0.144 nan 8.210 nan 0.000 0.475 5677 V N 3.626 123.498 119.914 -0.070 0.000 2.644 5677 V HA 0.934 5.055 4.120 0.000 0.000 0.295 5677 V C 0.057 176.055 176.094 -0.159 0.000 1.053 5677 V CA -0.326 61.914 62.300 -0.101 0.000 0.987 5677 V CB 1.308 33.072 31.823 -0.098 0.000 1.006 5677 V HN 0.832 nan 8.190 nan 0.000 0.472 5678 A N 3.141 125.861 122.820 -0.167 0.000 2.549 5678 A HA 0.984 5.305 4.320 0.000 0.000 0.297 5678 A C -0.392 177.074 177.584 -0.197 0.000 1.061 5678 A CA -0.297 51.618 52.037 -0.204 0.000 0.690 5678 A CB 1.801 20.731 19.000 -0.117 0.000 1.287 5678 A HN 2.341 nan 8.150 nan 0.000 0.402 5679 A N 1.952 124.627 122.820 -0.242 0.000 2.353 5679 A HA 0.740 5.061 4.320 0.000 0.000 0.299 5679 A C 0.020 177.591 177.584 -0.023 0.000 1.089 5679 A CA -0.627 51.340 52.037 -0.117 0.000 0.736 5679 A CB 0.749 19.688 19.000 -0.102 0.000 1.195 5679 A HN 1.217 nan 8.150 nan 0.000 0.447 5680 R N 1.856 122.357 120.500 0.002 0.000 2.608 5680 R HA 0.714 5.054 4.340 0.000 0.000 0.255 5680 R C -0.349 175.976 176.300 0.040 0.000 1.086 5680 R CA -0.773 55.342 56.100 0.025 0.000 1.125 5680 R CB 0.377 30.684 30.300 0.012 0.000 1.193 5680 R HN 0.490 nan 8.270 nan 0.000 0.553 5681 R N -1.082 119.440 120.500 0.037 0.000 3.525 5681 R HA -0.109 4.231 4.340 0.000 0.000 0.276 5681 R C -0.715 175.610 176.300 0.042 0.000 1.116 5681 R CA 0.590 56.710 56.100 0.033 0.000 0.745 5681 R CB -2.653 27.661 30.300 0.023 0.000 1.185 5681 R HN 0.517 nan 8.270 nan 0.000 0.454 5682 V N 1.432 121.384 119.914 0.063 0.000 2.572 5682 V HA 0.066 4.186 4.120 0.000 0.000 0.291 5682 V C 1.428 177.541 176.094 0.032 0.000 1.039 5682 V CA -0.158 62.185 62.300 0.071 0.000 1.055 5682 V CB 1.338 33.239 31.823 0.130 0.000 0.969 5682 V HN 0.138 nan 8.190 nan 0.000 0.482 5683 K N 3.258 123.664 120.400 0.011 0.000 2.436 5683 K HA 0.032 4.352 4.320 0.000 0.000 0.275 5683 K C 1.171 177.763 176.600 -0.013 0.000 0.999 5683 K CA -0.347 55.937 56.287 -0.004 0.000 0.980 5683 K CB 0.554 33.046 32.500 -0.014 0.000 0.919 5683 K HN 0.589 nan 8.250 nan 0.000 0.484 5684 K N 2.046 122.440 120.400 -0.010 0.000 2.074 5684 K HA -0.178 4.142 4.320 0.000 0.000 0.209 5684 K C 1.906 178.490 176.600 -0.027 0.000 1.048 5684 K CA 2.107 58.386 56.287 -0.013 0.000 0.926 5684 K CB -0.559 31.936 32.500 -0.008 0.000 0.713 5684 K HN 0.594 nan 8.250 nan 0.000 0.444 5685 S N 0.270 115.953 115.700 -0.029 0.000 2.359 5685 S HA -0.175 4.295 4.470 0.000 0.000 0.224 5685 S C 1.383 175.948 174.600 -0.059 0.000 1.035 5685 S CA 1.849 60.026 58.200 -0.038 0.000 1.018 5685 S CB -0.519 62.661 63.200 -0.034 0.000 0.876 5685 S HN 0.415 nan 8.310 nan 0.000 0.448 5686 D N 0.781 121.140 120.400 -0.068 0.000 2.144 5686 D HA -0.036 4.604 4.640 0.000 0.000 0.200 5686 D C 2.007 178.215 176.300 -0.154 0.000 0.978 5686 D CA 0.903 54.835 54.000 -0.112 0.000 0.833 5686 D CB -0.263 40.475 40.800 -0.104 0.000 0.961 5686 D HN 0.380 nan 8.370 nan 0.000 0.470 5687 M N 0.490 120.027 119.600 -0.106 0.000 2.159 5687 M HA -0.088 4.392 4.480 0.000 0.000 0.263 5687 M C 1.887 178.134 176.300 -0.089 0.000 1.063 5687 M CA 1.194 56.435 55.300 -0.098 0.000 1.110 5687 M CB -0.747 31.832 32.600 -0.036 0.000 1.374 5687 M HN 0.116 nan 8.290 nan 0.000 0.411 5688 E N 0.050 120.208 120.200 -0.069 0.000 2.072 5688 E HA -0.135 4.216 4.350 0.000 0.000 0.190 5688 E C 2.068 178.628 176.600 -0.067 0.000 0.982 5688 E CA 0.855 57.222 56.400 -0.055 0.000 0.803 5688 E CB 0.006 29.682 29.700 -0.040 0.000 0.755 5688 E HN 0.495 nan 8.360 nan 0.000 0.453 5689 K N 0.629 120.979 120.400 -0.085 0.000 2.097 5689 K HA -0.094 4.226 4.320 0.000 0.000 0.205 5689 K C 2.205 178.739 176.600 -0.109 0.000 1.050 5689 K CA 0.805 57.039 56.287 -0.088 0.000 0.938 5689 K CB -0.076 32.367 32.500 -0.095 0.000 0.718 5689 K HN 0.107 nan 8.250 nan 0.000 0.442 5690 L N 0.469 121.593 121.223 -0.165 0.000 2.056 5690 L HA -0.170 4.170 4.340 0.000 0.000 0.207 5690 L C 2.590 179.392 176.870 -0.114 0.000 1.078 5690 L CA 1.075 55.793 54.840 -0.204 0.000 0.749 5690 L CB -0.542 41.285 42.059 -0.386 0.000 0.901 5690 L HN 0.192 nan 8.230 nan 0.000 0.433 5691 A N 0.091 122.860 122.820 -0.085 0.000 1.902 5691 A HA -0.204 4.116 4.320 0.000 0.000 0.217 5691 A C 2.329 179.895 177.584 -0.030 0.000 1.181 5691 A CA 1.594 53.606 52.037 -0.043 0.000 0.623 5691 A CB -0.296 18.684 19.000 -0.032 0.000 0.818 5691 A HN 0.305 nan 8.150 nan 0.000 0.443 5692 K N -0.378 120.001 120.400 -0.035 0.000 2.025 5692 K HA -0.028 4.292 4.320 0.000 0.000 0.207 5692 K C 2.362 178.954 176.600 -0.015 0.000 1.049 5692 K CA 1.177 57.451 56.287 -0.023 0.000 0.933 5692 K CB -0.294 32.191 32.500 -0.026 0.000 0.714 5692 K HN 0.430 nan 8.250 nan 0.000 0.438 5693 A N 1.128 123.934 122.820 -0.024 0.000 1.854 5693 A HA -0.132 4.189 4.320 0.000 0.000 0.214 5693 A C 2.304 179.889 177.584 0.001 0.000 1.192 5693 A CA 2.099 54.129 52.037 -0.012 0.000 0.611 5693 A CB -1.019 17.965 19.000 -0.027 0.000 0.832 5693 A HN 0.464 nan 8.150 nan 0.000 0.442 5694 T N -4.080 110.469 114.554 -0.008 0.000 3.023 5694 T HA 0.339 4.690 4.350 0.000 0.000 0.266 5694 T C 1.466 176.177 174.700 0.018 0.000 1.093 5694 T CA 1.276 63.382 62.100 0.010 0.000 1.129 5694 T CB -0.249 68.626 68.868 0.010 0.000 0.899 5694 T HN 1.805 nan 8.240 nan 0.000 0.491 5695 G N 1.366 110.173 108.800 0.011 0.000 2.137 5695 G HA2 0.001 3.961 3.960 0.000 0.000 0.237 5695 G HA3 0.001 3.961 3.960 0.000 0.000 0.237 5695 G C 0.210 175.119 174.900 0.014 0.000 1.002 5695 G CA -0.024 45.084 45.100 0.014 0.000 0.702 5695 G HN 1.179 nan 8.290 nan 0.000 0.515 5696 A N -0.378 122.449 122.820 0.012 0.000 2.371 5696 A HA 0.637 4.957 4.320 0.000 0.000 0.257 5696 A C 0.375 177.966 177.584 0.012 0.000 1.089 5696 A CA 0.285 52.334 52.037 0.019 0.000 0.794 5696 A CB 0.520 19.536 19.000 0.028 0.000 1.029 5696 A HN 0.750 nan 8.150 nan 0.000 0.488 5697 N N 1.512 120.222 118.700 0.018 0.000 2.444 5697 N HA 0.365 5.106 4.740 0.000 0.000 0.262 5697 N C -0.912 174.608 175.510 0.017 0.000 0.974 5697 N CA -0.348 52.710 53.050 0.013 0.000 0.933 5697 N CB 1.224 39.719 38.487 0.013 0.000 1.137 5697 N HN 0.286 nan 8.380 nan 0.000 0.498 5698 V N 4.876 124.797 119.914 0.011 0.000 2.485 5698 V HA 0.134 4.254 4.120 0.000 0.000 0.287 5698 V C 0.388 176.492 176.094 0.016 0.000 1.022 5698 V CA -0.007 62.302 62.300 0.015 0.000 1.067 5698 V CB -0.151 31.676 31.823 0.006 0.000 0.967 5698 V HN 0.514 nan 8.190 nan 0.000 0.479 5699 I N 4.066 124.648 120.570 0.021 0.000 2.441 5699 I HA 0.446 4.616 4.170 0.000 0.000 0.295 5699 I C 0.971 177.099 176.117 0.019 0.000 0.994 5699 I CA -0.366 60.945 61.300 0.019 0.000 1.144 5699 I CB 1.377 39.390 38.000 0.020 0.000 1.314 5699 I HN 0.629 nan 8.210 nan 0.000 0.445 5700 A N 5.517 128.346 122.820 0.014 0.000 1.832 5700 A HA 0.310 4.630 4.320 0.000 0.000 0.214 5700 A C 1.148 178.740 177.584 0.014 0.000 1.204 5700 A CA 1.051 53.096 52.037 0.014 0.000 0.606 5700 A CB -0.258 18.748 19.000 0.010 0.000 0.849 5700 A HN 0.731 nan 8.150 nan 0.000 0.445 5701 A N -0.739 122.089 122.820 0.013 0.000 2.309 5701 A HA 0.609 4.929 4.320 0.000 0.000 0.298 5701 A C 0.865 178.457 177.584 0.013 0.000 1.165 5701 A CA -0.537 51.507 52.037 0.012 0.000 0.821 5701 A CB 0.131 19.136 19.000 0.009 0.000 1.102 5701 A HN 0.400 nan 8.150 nan 0.000 0.500 5702 I N 2.000 122.578 120.570 0.013 0.000 2.264 5702 I HA -0.322 3.848 4.170 0.000 0.000 0.248 5702 I C 2.755 178.878 176.117 0.010 0.000 1.111 5702 I CA 1.759 63.067 61.300 0.014 0.000 1.382 5702 I CB -0.245 37.763 38.000 0.013 0.000 1.060 5702 I HN 0.759 nan 8.210 nan 0.000 0.418 5703 A N 0.661 123.486 122.820 0.008 0.000 1.972 5703 A HA -0.153 4.168 4.320 0.000 0.000 0.219 5703 A C 2.481 180.069 177.584 0.006 0.000 1.169 5703 A CA 1.826 53.866 52.037 0.005 0.000 0.635 5703 A CB -0.685 18.317 19.000 0.004 0.000 0.810 5703 A HN 0.449 nan 8.150 nan 0.000 0.446 5704 A N -1.080 121.745 122.820 0.008 0.000 2.066 5704 A HA 0.268 4.588 4.320 0.000 0.000 0.218 5704 A C 1.020 178.610 177.584 0.010 0.000 1.157 5704 A CA 0.362 52.404 52.037 0.008 0.000 0.670 5704 A CB -0.498 18.507 19.000 0.009 0.000 0.804 5704 A HN 0.578 nan 8.150 nan 0.000 0.453 5705 L N 1.881 123.112 121.223 0.012 0.000 2.534 5705 L HA 0.291 4.631 4.340 0.000 0.000 0.271 5705 L C 0.473 177.350 176.870 0.012 0.000 1.178 5705 L CA 0.572 55.421 54.840 0.015 0.000 0.907 5705 L CB 0.235 42.305 42.059 0.018 0.000 1.164 5705 L HN 0.361 nan 8.230 nan 0.000 0.482 5706 S N 3.448 119.156 115.700 0.013 0.000 2.709 5706 S HA 0.792 5.262 4.470 0.000 0.000 0.302 5706 S C 0.879 175.488 174.600 0.014 0.000 1.127 5706 S CA -0.351 57.856 58.200 0.012 0.000 0.905 5706 S CB 1.292 64.498 63.200 0.010 0.000 1.151 5706 S HN 0.807 nan 8.310 nan 0.000 0.510 5707 A N 0.443 123.270 122.820 0.013 0.000 1.972 5707 A HA -0.066 4.254 4.320 0.000 0.000 0.219 5707 A C 2.027 179.620 177.584 0.016 0.000 1.169 5707 A CA 1.250 53.296 52.037 0.014 0.000 0.635 5707 A CB -0.879 18.128 19.000 0.012 0.000 0.810 5707 A HN 0.734 nan 8.150 nan 0.000 0.446 5708 Q N 0.126 119.935 119.800 0.014 0.000 2.437 5708 Q HA -0.094 4.246 4.340 0.000 0.000 0.210 5708 Q C 0.498 176.508 176.000 0.016 0.000 0.972 5708 Q CA 1.012 56.823 55.803 0.014 0.000 0.903 5708 Q CB -0.211 28.534 28.738 0.011 0.000 0.967 5708 Q HN 0.662 nan 8.270 nan 0.000 0.486 5709 D N -0.211 120.200 120.400 0.018 0.000 2.350 5709 D HA 0.081 4.722 4.640 0.000 0.000 0.213 5709 D C 0.402 176.718 176.300 0.026 0.000 1.031 5709 D CA 0.078 54.091 54.000 0.020 0.000 0.861 5709 D CB 0.647 41.459 40.800 0.020 0.000 0.926 5709 D HN 0.199 nan 8.370 nan 0.000 0.520 5710 L N 0.928 122.168 121.223 0.028 0.000 2.349 5710 L HA 0.369 4.710 4.340 0.000 0.000 0.275 5710 L C 1.207 178.098 176.870 0.036 0.000 1.115 5710 L CA -0.461 54.401 54.840 0.036 0.000 0.820 5710 L CB 1.245 43.324 42.059 0.033 0.000 1.135 5710 L HN -0.137 nan 8.230 nan 0.000 0.445 5711 G N 1.291 110.118 108.800 0.044 0.000 2.491 5711 G HA2 0.437 4.398 3.960 0.000 0.000 0.327 5711 G HA3 0.437 4.398 3.960 0.000 0.000 0.327 5711 G C -1.149 173.778 174.900 0.046 0.000 1.189 5711 G CA -0.478 44.646 45.100 0.041 0.000 0.956 5711 G HN 0.538 nan 8.290 nan 0.000 0.491 5712 D N -0.279 120.146 120.400 0.040 0.000 2.350 5712 D HA 0.615 5.255 4.640 0.000 0.000 0.245 5712 D C -0.335 175.988 176.300 0.039 0.000 1.036 5712 D CA 0.047 54.071 54.000 0.039 0.000 0.848 5712 D CB 2.114 42.933 40.800 0.032 0.000 1.307 5712 D HN 0.578 nan 8.370 nan 0.000 0.469 5713 A N 0.383 123.229 122.820 0.043 0.000 2.455 5713 A HA 0.618 4.939 4.320 0.000 0.000 0.300 5713 A C 0.859 178.463 177.584 0.034 0.000 1.040 5713 A CA -0.434 51.629 52.037 0.043 0.000 0.697 5713 A CB 1.712 20.752 19.000 0.067 0.000 1.265 5713 A HN 0.504 nan 8.150 nan 0.000 0.407 5714 G N 0.311 109.125 108.800 0.023 0.000 2.394 5714 G HA2 0.310 4.270 3.960 0.000 0.000 0.215 5714 G HA3 0.310 4.270 3.960 0.000 0.000 0.215 5714 G C 0.304 175.217 174.900 0.023 0.000 1.165 5714 G CA 1.571 46.680 45.100 0.015 0.000 0.784 5714 G HN 1.138 nan 8.290 nan 0.000 0.535 5715 L N 0.271 121.515 121.223 0.035 0.000 2.470 5715 L HA 0.657 4.997 4.340 0.000 0.000 0.268 5715 L C -1.312 175.601 176.870 0.072 0.000 0.964 5715 L CA -0.852 54.013 54.840 0.042 0.000 0.839 5715 L CB 2.547 44.623 42.059 0.029 0.000 1.276 5715 L HN -0.126 nan 8.230 nan 0.000 0.403 5716 V N 4.603 124.562 119.914 0.075 0.000 2.407 5716 V HA 0.649 4.770 4.120 0.000 0.000 0.291 5716 V C -0.516 175.632 176.094 0.089 0.000 1.018 5716 V CA -0.459 61.906 62.300 0.107 0.000 0.842 5716 V CB 1.479 33.368 31.823 0.110 0.000 0.996 5716 V HN 0.833 nan 8.190 nan 0.000 0.426 5717 E N 3.068 123.343 120.200 0.125 0.000 2.321 5717 E HA 0.381 4.732 4.350 0.000 0.000 0.278 5717 E C -1.103 175.589 176.600 0.153 0.000 0.902 5717 E CA -0.661 55.796 56.400 0.095 0.000 0.758 5717 E CB 2.277 32.004 29.700 0.045 0.000 1.213 5717 E HN 0.764 nan 8.360 nan 0.000 0.426 5718 E N 4.221 124.482 120.200 0.102 0.000 2.152 5718 E HA 0.246 4.596 4.350 0.000 0.000 0.285 5718 E C -0.907 175.755 176.600 0.102 0.000 1.043 5718 E CA -0.189 56.282 56.400 0.118 0.000 0.839 5718 E CB 0.670 30.406 29.700 0.060 0.000 1.069 5718 E HN 0.336 nan 8.360 nan 0.000 0.399 5719 R N 3.572 124.178 120.500 0.177 0.000 2.744 5719 R HA 0.393 4.733 4.340 0.000 0.000 0.279 5719 R C -0.797 175.596 176.300 0.154 0.000 0.977 5719 R CA -0.966 55.194 56.100 0.099 0.000 0.906 5719 R CB 1.946 32.198 30.300 -0.079 0.000 1.197 5719 R HN 0.331 nan 8.270 nan 0.000 0.463 5720 K N 2.316 122.764 120.400 0.080 0.000 2.234 5720 K HA 0.387 4.707 4.320 0.000 0.000 0.277 5720 K C -0.509 176.141 176.600 0.084 0.000 1.038 5720 K CA -0.499 55.835 56.287 0.078 0.000 0.888 5720 K CB 1.036 33.560 32.500 0.040 0.000 1.091 5720 K HN 0.258 nan 8.250 nan 0.000 0.467 5721 I N 2.641 123.275 120.570 0.107 0.000 2.359 5721 I HA 0.066 4.236 4.170 0.000 0.000 0.284 5721 I C 0.135 176.287 176.117 0.059 0.000 1.018 5721 I CA -0.285 61.075 61.300 0.100 0.000 1.173 5721 I CB 0.683 38.775 38.000 0.153 0.000 1.326 5721 I HN 0.685 nan 8.210 nan 0.000 0.462 5722 S N 4.627 120.351 115.700 0.041 0.000 3.587 5722 S HA -0.195 4.275 4.470 0.000 0.000 0.337 5722 S C 1.336 175.949 174.600 0.022 0.000 1.119 5722 S CA 1.131 59.346 58.200 0.026 0.000 0.976 5722 S CB -1.226 61.988 63.200 0.023 0.000 0.922 5722 S HN 1.333 nan 8.310 nan 0.000 0.503 5723 G N 0.368 109.183 108.800 0.026 0.000 2.420 5723 G HA2 -0.257 3.703 3.960 0.000 0.000 0.221 5723 G HA3 -0.257 3.703 3.960 0.000 0.000 0.221 5723 G C -0.379 174.537 174.900 0.027 0.000 1.117 5723 G CA 0.062 45.175 45.100 0.021 0.000 0.657 5723 G HN 0.597 nan 8.290 nan 0.000 0.512 5724 D N 1.666 122.084 120.400 0.030 0.000 2.417 5724 D HA 0.424 5.065 4.640 0.000 0.000 0.250 5724 D C 0.451 176.781 176.300 0.049 0.000 1.166 5724 D CA 0.766 54.784 54.000 0.031 0.000 0.881 5724 D CB 1.532 42.345 40.800 0.023 0.000 1.164 5724 D HN 0.262 nan 8.370 nan 0.000 0.467 5725 S N 3.005 118.731 115.700 0.043 0.000 2.505 5725 S HA 0.386 4.856 4.470 0.000 0.000 0.276 5725 S C -0.220 174.417 174.600 0.061 0.000 1.274 5725 S CA -0.401 57.834 58.200 0.059 0.000 1.053 5725 S CB 0.076 63.300 63.200 0.041 0.000 0.919 5725 S HN 0.310 nan 8.310 nan 0.000 0.490 5726 M N 4.498 124.158 119.600 0.100 0.000 2.593 5726 M HA 0.524 5.004 4.480 0.000 0.000 0.290 5726 M C -1.127 175.240 176.300 0.113 0.000 1.244 5726 M CA -0.610 54.722 55.300 0.053 0.000 0.857 5726 M CB 2.173 34.752 32.600 -0.035 0.000 1.738 5726 M HN 0.432 nan 8.290 nan 0.000 0.461 5727 I N 1.728 122.320 120.570 0.036 0.000 2.339 5727 I HA 0.363 4.534 4.170 0.000 0.000 0.290 5727 I C -1.282 174.842 176.117 0.012 0.000 0.994 5727 I CA -0.374 61.001 61.300 0.126 0.000 1.191 5727 I CB 0.893 38.997 38.000 0.174 0.000 1.343 5727 I HN 0.437 nan 8.210 nan 0.000 0.458 5728 F N 5.879 125.865 119.950 0.061 0.000 2.405 5728 F HA 0.358 4.885 4.527 0.000 0.000 0.355 5728 F C 0.197 176.031 175.800 0.058 0.000 1.121 5728 F CA -0.665 57.362 58.000 0.046 0.000 1.112 5728 F CB 1.359 40.375 39.000 0.027 0.000 1.126 5728 F HN 0.031 nan 8.300 nan 0.000 0.481 5729 V N 4.396 124.407 119.914 0.163 0.000 2.275 5729 V HA 0.342 4.462 4.120 0.000 0.000 0.272 5729 V C -0.314 175.840 176.094 0.100 0.000 1.028 5729 V CA -0.548 61.825 62.300 0.122 0.000 0.810 5729 V CB 0.321 32.183 31.823 0.066 0.000 1.043 5729 V HN 0.831 nan 8.190 nan 0.000 0.453 5730 E N 2.812 123.076 120.200 0.107 0.000 2.423 5730 E HA 0.656 5.006 4.350 0.000 0.000 0.269 5730 E C -0.640 175.988 176.600 0.047 0.000 0.948 5730 E CA -0.897 55.552 56.400 0.081 0.000 0.802 5730 E CB 1.503 31.266 29.700 0.106 0.000 1.339 5730 E HN 0.152 nan 8.360 nan 0.000 0.445 5731 E N -1.231 118.984 120.200 0.026 0.000 2.868 5731 E HA -0.160 4.190 4.350 0.000 0.000 0.278 5731 E C -0.634 175.959 176.600 -0.010 0.000 1.009 5731 E CA 0.676 57.078 56.400 0.003 0.000 0.856 5731 E CB -2.439 27.264 29.700 0.004 0.000 1.428 5731 E HN 0.566 nan 8.360 nan 0.000 0.423 5732 C N 0.773 120.069 119.300 -0.007 0.000 2.652 5732 C HA 0.109 4.570 4.460 0.000 0.000 0.412 5732 C C 2.283 177.229 174.990 -0.072 0.000 1.294 5732 C CA -0.224 58.783 59.018 -0.018 0.000 2.127 5732 C CB 0.548 28.289 27.740 0.001 0.000 2.691 5732 C HN 0.354 nan 8.230 nan 0.000 0.615 5733 K N 0.585 120.923 120.400 -0.103 0.000 1.978 5733 K HA -0.099 4.222 4.320 0.000 0.000 0.214 5733 K C 0.405 176.704 176.600 -0.503 0.000 1.049 5733 K CA 1.390 57.508 56.287 -0.282 0.000 0.939 5733 K CB -0.077 32.303 32.500 -0.201 0.000 0.721 5733 K HN 0.689 nan 8.250 nan 0.000 0.441 5734 H N 0.141 119.216 119.070 0.008 0.000 2.488 5734 H HA 0.235 4.791 4.556 0.000 0.000 0.237 5734 H C -2.499 172.832 175.328 0.004 0.000 1.395 5734 H CA -1.962 54.089 56.048 0.006 0.000 1.491 5734 H CB 0.712 30.476 29.762 0.004 0.000 1.567 5734 H HN 0.193 nan 8.280 nan 0.000 0.508 5735 P HA 0.112 nan 4.420 nan 0.000 0.271 5735 P C 0.309 177.636 177.300 0.045 0.000 1.218 5735 P CA -0.456 62.669 63.100 0.042 0.000 0.780 5735 P CB 1.830 33.542 31.700 0.020 0.000 0.901 5736 K N 0.381 120.797 120.400 0.026 0.000 2.358 5736 K HA 0.453 4.773 4.320 0.000 0.000 0.200 5736 K C 0.276 176.879 176.600 0.005 0.000 1.030 5736 K CA 0.058 56.356 56.287 0.018 0.000 1.097 5736 K CB 0.686 33.193 32.500 0.012 0.000 0.862 5736 K HN 0.556 nan 8.250 nan 0.000 0.534 5737 A N 0.421 123.242 122.820 0.001 0.000 2.486 5737 A HA 0.679 4.999 4.320 0.000 0.000 0.300 5737 A C -0.944 176.636 177.584 -0.006 0.000 1.048 5737 A CA -0.777 51.254 52.037 -0.009 0.000 0.696 5737 A CB 1.260 20.245 19.000 -0.024 0.000 1.278 5737 A HN -0.011 nan 8.150 nan 0.000 0.405 5738 V N -1.248 118.662 119.914 -0.007 0.000 3.074 5738 V HA 0.973 5.093 4.120 0.000 0.000 0.314 5738 V C -0.405 175.683 176.094 -0.011 0.000 1.117 5738 V CA -0.591 61.708 62.300 -0.002 0.000 1.014 5738 V CB 1.672 33.499 31.823 0.006 0.000 1.057 5738 V HN 0.875 nan 8.190 nan 0.000 0.438 5739 T N 3.612 118.162 114.554 -0.006 0.000 2.848 5739 T HA 0.548 4.899 4.350 0.000 0.000 0.285 5739 T C -0.594 174.107 174.700 0.002 0.000 0.995 5739 T CA -0.230 61.861 62.100 -0.016 0.000 0.970 5739 T CB 1.430 70.273 68.868 -0.043 0.000 0.976 5739 T HN 0.949 nan 8.240 nan 0.000 0.441 5740 M N 4.596 124.195 119.600 -0.003 0.000 2.066 5740 M HA 0.500 4.981 4.480 0.000 0.000 0.340 5740 M C -1.309 174.995 176.300 0.007 0.000 1.053 5740 M CA -0.796 54.508 55.300 0.007 0.000 0.983 5740 M CB 0.397 32.999 32.600 0.005 0.000 1.520 5740 M HN 0.524 nan 8.290 nan 0.000 0.428 5741 L N 6.963 128.199 121.223 0.023 0.000 2.261 5741 L HA 0.472 4.813 4.340 0.000 0.000 0.289 5741 L C -0.993 175.893 176.870 0.027 0.000 1.059 5741 L CA -0.387 54.470 54.840 0.028 0.000 0.816 5741 L CB 0.509 42.609 42.059 0.068 0.000 1.191 5741 L HN 0.743 nan 8.230 nan 0.000 0.431 5742 I N 5.647 126.227 120.570 0.016 0.000 2.325 5742 I HA 0.324 4.494 4.170 0.000 0.000 0.291 5742 I C 0.191 176.318 176.117 0.016 0.000 1.019 5742 I CA -0.301 61.008 61.300 0.015 0.000 1.302 5742 I CB 0.883 38.888 38.000 0.008 0.000 1.401 5742 I HN 0.588 nan 8.210 nan 0.000 0.485 5743 R N 3.951 124.463 120.500 0.019 0.000 2.873 5743 R HA 0.899 5.240 4.340 0.000 0.000 0.264 5743 R C -0.322 175.987 176.300 0.015 0.000 1.026 5743 R CA -0.991 55.120 56.100 0.018 0.000 1.002 5743 R CB 2.242 32.555 30.300 0.022 0.000 1.174 5743 R HN 0.828 nan 8.270 nan 0.000 0.488 5744 G N -0.731 108.077 108.800 0.014 0.000 2.340 5744 G HA2 0.036 3.996 3.960 0.000 0.000 0.298 5744 G HA3 0.036 3.996 3.960 0.000 0.000 0.298 5744 G C 0.002 174.911 174.900 0.014 0.000 1.498 5744 G CA -0.681 44.428 45.100 0.015 0.000 0.847 5744 G HN 0.401 nan 8.290 nan 0.000 0.594 5745 T N 0.365 114.929 114.554 0.017 0.000 2.915 5745 T HA 0.179 4.530 4.350 0.000 0.000 0.269 5745 T C 0.905 175.616 174.700 0.019 0.000 1.071 5745 T CA 2.005 64.116 62.100 0.018 0.000 1.132 5745 T CB -0.148 68.733 68.868 0.021 0.000 0.878 5745 T HN 0.666 nan 8.240 nan 0.000 0.479 5746 T N -0.048 114.519 114.554 0.022 0.000 2.894 5746 T HA 0.299 4.649 4.350 0.000 0.000 0.309 5746 T C 0.615 175.311 174.700 -0.006 0.000 1.208 5746 T CA -0.740 61.371 62.100 0.018 0.000 1.016 5746 T CB 2.680 71.583 68.868 0.059 0.000 1.192 5746 T HN -0.082 nan 8.240 nan 0.000 0.491 5747 E N 0.748 120.907 120.200 -0.069 0.000 2.070 5747 E HA -0.224 4.126 4.350 0.000 0.000 0.197 5747 E C 1.631 178.149 176.600 -0.138 0.000 1.004 5747 E CA 1.942 58.258 56.400 -0.140 0.000 0.805 5747 E CB -0.127 29.427 29.700 -0.243 0.000 0.744 5747 E HN 0.630 nan 8.360 nan 0.000 0.451 5748 H N -0.806 118.267 119.070 0.005 0.000 2.456 5748 H HA -0.048 4.508 4.556 0.000 0.000 0.296 5748 H C 2.128 177.459 175.328 0.005 0.000 1.079 5748 H CA 1.406 57.457 56.048 0.004 0.000 1.322 5748 H CB -0.078 29.686 29.762 0.004 0.000 1.388 5748 H HN 0.134 nan 8.280 nan 0.000 0.538 5749 V N 1.940 121.920 119.914 0.110 0.000 2.346 5749 V HA -0.186 3.934 4.120 0.000 0.000 0.244 5749 V C 2.663 178.781 176.094 0.041 0.000 1.037 5749 V CA 1.591 63.930 62.300 0.066 0.000 1.029 5749 V CB -0.481 31.371 31.823 0.049 0.000 0.663 5749 V HN 0.404 nan 8.190 nan 0.000 0.454 5750 I N -1.651 118.933 120.570 0.023 0.000 2.830 5750 I HA -0.088 4.082 4.170 0.000 0.000 0.263 5750 I C 2.076 178.199 176.117 0.010 0.000 1.230 5750 I CA 1.427 62.734 61.300 0.012 0.000 1.480 5750 I CB -0.543 37.458 38.000 0.001 0.000 1.095 5750 I HN 0.307 nan 8.210 nan 0.000 0.455 5751 E N 1.372 121.581 120.200 0.015 0.000 2.072 5751 E HA -0.194 4.157 4.350 0.000 0.000 0.190 5751 E C 2.093 178.711 176.600 0.030 0.000 0.982 5751 E CA 0.925 57.337 56.400 0.020 0.000 0.803 5751 E CB -0.116 29.603 29.700 0.031 0.000 0.755 5751 E HN 0.497 nan 8.360 nan 0.000 0.453 5752 E N 1.048 121.273 120.200 0.041 0.000 2.153 5752 E HA -0.150 4.200 4.350 0.000 0.000 0.194 5752 E C 2.059 178.674 176.600 0.026 0.000 0.988 5752 E CA 0.827 57.247 56.400 0.035 0.000 0.811 5752 E CB 0.215 29.938 29.700 0.039 0.000 0.746 5752 E HN 0.088 nan 8.360 nan 0.000 0.466 5753 V N 1.233 121.161 119.914 0.023 0.000 2.379 5753 V HA -0.169 3.951 4.120 0.000 0.000 0.245 5753 V C 2.625 178.727 176.094 0.014 0.000 1.044 5753 V CA 1.494 63.805 62.300 0.018 0.000 1.036 5753 V CB -0.805 31.028 31.823 0.017 0.000 0.664 5753 V HN 0.333 nan 8.190 nan 0.000 0.453 5754 A N 0.588 123.415 122.820 0.012 0.000 1.940 5754 A HA -0.278 4.043 4.320 0.000 0.000 0.219 5754 A C 2.309 179.898 177.584 0.009 0.000 1.176 5754 A CA 2.328 54.370 52.037 0.008 0.000 0.631 5754 A CB -0.498 18.504 19.000 0.004 0.000 0.814 5754 A HN 0.463 nan 8.150 nan 0.000 0.446 5755 R N 0.055 120.562 120.500 0.012 0.000 2.090 5755 R HA 0.095 4.435 4.340 0.000 0.000 0.228 5755 R C 2.139 178.446 176.300 0.013 0.000 1.110 5755 R CA 1.756 57.864 56.100 0.012 0.000 0.973 5755 R CB -0.943 29.366 30.300 0.015 0.000 0.869 5755 R HN 0.361 nan 8.270 nan 0.000 0.440 5756 A N 0.308 123.137 122.820 0.015 0.000 1.883 5756 A HA -0.143 4.177 4.320 0.000 0.000 0.217 5756 A C 2.188 179.780 177.584 0.013 0.000 1.186 5756 A CA 2.100 54.147 52.037 0.016 0.000 0.624 5756 A CB -0.985 18.026 19.000 0.018 0.000 0.822 5756 A HN 0.327 nan 8.150 nan 0.000 0.444 5757 V N -2.308 117.612 119.914 0.011 0.000 3.041 5757 V HA -0.077 4.043 4.120 0.000 0.000 0.260 5757 V C 1.853 177.951 176.094 0.007 0.000 1.105 5757 V CA 2.184 64.489 62.300 0.009 0.000 1.125 5757 V CB -0.668 31.159 31.823 0.007 0.000 0.730 5757 V HN 0.422 nan 8.190 nan 0.000 0.479 5758 D N 1.354 121.758 120.400 0.007 0.000 2.123 5758 D HA -0.196 4.444 4.640 0.000 0.000 0.196 5758 D C 1.815 178.119 176.300 0.006 0.000 0.992 5758 D CA 1.908 55.911 54.000 0.005 0.000 0.833 5758 D CB -0.167 40.637 40.800 0.005 0.000 0.954 5758 D HN 0.554 nan 8.370 nan 0.000 0.455 5759 D N -0.489 119.916 120.400 0.008 0.000 2.183 5759 D HA 0.017 4.657 4.640 0.000 0.000 0.205 5759 D C 1.952 178.258 176.300 0.009 0.000 0.962 5759 D CA 0.969 54.974 54.000 0.009 0.000 0.849 5759 D CB -0.185 40.622 40.800 0.011 0.000 0.978 5759 D HN 0.245 nan 8.370 nan 0.000 0.488 5760 A N 1.061 123.886 122.820 0.010 0.000 1.877 5760 A HA -0.135 4.185 4.320 0.000 0.000 0.216 5760 A C 2.385 179.973 177.584 0.007 0.000 1.186 5760 A CA 1.181 53.224 52.037 0.009 0.000 0.620 5760 A CB -0.879 18.127 19.000 0.009 0.000 0.822 5760 A HN 0.169 nan 8.150 nan 0.000 0.443 5761 V N -0.060 119.858 119.914 0.006 0.000 2.759 5761 V HA -0.060 4.060 4.120 0.000 0.000 0.256 5761 V C 2.316 178.412 176.094 0.004 0.000 1.080 5761 V CA 2.058 64.360 62.300 0.004 0.000 1.101 5761 V CB -0.652 31.173 31.823 0.003 0.000 0.698 5761 V HN 0.571 nan 8.190 nan 0.000 0.477 5762 G N -0.115 108.688 108.800 0.005 0.000 2.394 5762 G HA2 -0.179 3.781 3.960 0.000 0.000 0.214 5762 G HA3 -0.179 3.781 3.960 0.000 0.000 0.214 5762 G C 1.626 176.530 174.900 0.006 0.000 1.176 5762 G CA 1.366 46.469 45.100 0.005 0.000 0.786 5762 G HN 0.670 nan 8.290 nan 0.000 0.533 5763 V N -1.279 118.639 119.914 0.007 0.000 2.871 5763 V HA 0.023 4.143 4.120 0.000 0.000 0.256 5763 V C 2.585 178.684 176.094 0.007 0.000 1.082 5763 V CA 1.150 63.455 62.300 0.008 0.000 1.105 5763 V CB -0.306 31.523 31.823 0.009 0.000 0.713 5763 V HN 0.118 nan 8.190 nan 0.000 0.473 5764 V N 2.014 121.931 119.914 0.006 0.000 2.379 5764 V HA 0.002 4.123 4.120 0.000 0.000 0.245 5764 V C 2.903 179.000 176.094 0.005 0.000 1.044 5764 V CA 2.116 64.419 62.300 0.005 0.000 1.036 5764 V CB -1.268 30.558 31.823 0.005 0.000 0.664 5764 V HN 0.604 nan 8.190 nan 0.000 0.453 5765 G N -1.067 107.735 108.800 0.005 0.000 2.418 5765 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 5765 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 5765 G C 1.731 176.634 174.900 0.005 0.000 1.158 5765 G CA 1.344 46.446 45.100 0.004 0.000 0.771 5765 G HN 0.529 nan 8.290 nan 0.000 0.545 5766 C N 0.520 119.824 119.300 0.006 0.000 2.429 5766 C HA -0.006 4.454 4.460 0.000 0.000 0.277 5766 C C 3.218 178.212 174.990 0.007 0.000 1.262 5766 C CA 1.495 60.517 59.018 0.006 0.000 1.733 5766 C CB -0.983 26.762 27.740 0.007 0.000 2.010 5766 C HN 0.430 nan 8.230 nan 0.000 0.483 5767 T N 1.189 115.747 114.554 0.007 0.000 2.867 5767 T HA -0.045 4.305 4.350 0.000 0.000 0.268 5767 T C 1.571 176.274 174.700 0.006 0.000 1.057 5767 T CA 1.169 63.273 62.100 0.006 0.000 1.136 5767 T CB -0.225 68.647 68.868 0.006 0.000 0.874 5767 T HN 0.507 nan 8.240 nan 0.000 0.466 5768 I N 0.628 121.201 120.570 0.005 0.000 2.406 5768 I HA -0.061 4.110 4.170 0.000 0.000 0.249 5768 I C 2.503 178.623 176.117 0.004 0.000 1.122 5768 I CA 1.198 62.501 61.300 0.004 0.000 1.431 5768 I CB -0.212 37.791 38.000 0.004 0.000 1.087 5768 I HN 0.262 nan 8.210 nan 0.000 0.424 5769 E N -0.223 119.980 120.200 0.005 0.000 2.230 5769 E HA -0.113 4.237 4.350 0.000 0.000 0.192 5769 E C 0.259 176.862 176.600 0.006 0.000 0.987 5769 E CA 0.508 56.911 56.400 0.005 0.000 0.841 5769 E CB 0.258 29.960 29.700 0.005 0.000 0.783 5769 E HN 0.198 nan 8.360 nan 0.000 0.481 5770 D N -0.640 119.764 120.400 0.006 0.000 2.473 5770 D HA 0.136 4.777 4.640 0.000 0.000 0.253 5770 D C 0.084 176.388 176.300 0.007 0.000 1.233 5770 D CA -0.493 53.512 54.000 0.007 0.000 0.908 5770 D CB 1.363 42.169 40.800 0.009 0.000 1.170 5770 D HN 0.029 nan 8.370 nan 0.000 0.558 5771 G N 3.412 112.216 108.800 0.007 0.000 3.327 5771 G HA2 0.024 3.984 3.960 0.000 0.000 0.240 5771 G HA3 0.024 3.984 3.960 0.000 0.000 0.240 5771 G C 0.469 175.374 174.900 0.008 0.000 1.222 5771 G CA -0.258 44.846 45.100 0.007 0.000 0.871 5771 G HN 0.168 nan 8.290 nan 0.000 0.525 5772 R N 0.608 121.114 120.500 0.010 0.000 2.387 5772 R HA 0.561 4.901 4.340 0.000 0.000 0.314 5772 R C -0.147 176.160 176.300 0.012 0.000 0.958 5772 R CA -0.577 55.529 56.100 0.011 0.000 0.846 5772 R CB 1.513 31.821 30.300 0.013 0.000 1.147 5772 R HN 0.403 nan 8.270 nan 0.000 0.447 5773 I N -1.133 119.445 120.570 0.012 0.000 3.002 5773 I HA 0.800 4.970 4.170 0.000 0.000 0.310 5773 I C -0.153 175.974 176.117 0.016 0.000 1.087 5773 I CA -1.322 59.986 61.300 0.013 0.000 1.017 5773 I CB 2.450 40.457 38.000 0.012 0.000 1.226 5773 I HN 0.292 nan 8.210 nan 0.000 0.443 5774 V N -0.300 119.624 119.914 0.017 0.000 3.130 5774 V HA 0.689 4.809 4.120 0.000 0.000 0.310 5774 V C 0.109 176.217 176.094 0.022 0.000 1.158 5774 V CA -0.532 61.781 62.300 0.021 0.000 1.029 5774 V CB 1.239 33.076 31.823 0.023 0.000 1.057 5774 V HN 1.040 nan 8.190 nan 0.000 0.436 5775 S N 1.293 117.009 115.700 0.027 0.000 2.562 5775 S HA 0.653 5.124 4.470 0.000 0.000 0.281 5775 S C 0.485 175.104 174.600 0.032 0.000 1.333 5775 S CA 0.194 58.412 58.200 0.031 0.000 1.052 5775 S CB 0.726 63.948 63.200 0.037 0.000 0.884 5775 S HN 1.836 nan 8.310 nan 0.000 0.506 5776 G N 0.357 109.176 108.800 0.032 0.000 2.641 5776 G HA2 0.571 4.531 3.960 0.000 0.000 0.239 5776 G HA3 0.571 4.531 3.960 0.000 0.000 0.239 5776 G C 0.843 175.763 174.900 0.034 0.000 1.402 5776 G CA -0.595 44.523 45.100 0.030 0.000 1.046 5776 G HN 2.041 nan 8.290 nan 0.000 0.565 5777 G N -2.115 106.703 108.800 0.031 0.000 2.160 5777 G HA2 0.252 4.212 3.960 0.000 0.000 0.251 5777 G HA3 0.252 4.212 3.960 0.000 0.000 0.251 5777 G C 1.438 176.344 174.900 0.009 0.000 1.008 5777 G CA 1.102 46.218 45.100 0.028 0.000 0.724 5777 G HN 2.495 nan 8.290 nan 0.000 0.514 5778 G N -1.320 107.477 108.800 -0.006 0.000 2.159 5778 G HA2 -0.111 3.849 3.960 0.000 0.000 0.256 5778 G HA3 -0.111 3.849 3.960 0.000 0.000 0.256 5778 G C 1.511 176.384 174.900 -0.045 0.000 0.977 5778 G CA 1.698 46.778 45.100 -0.034 0.000 0.652 5778 G HN 2.011 nan 8.290 nan 0.000 0.531 5779 S N 0.045 115.748 115.700 0.005 0.000 2.370 5779 S HA -0.164 4.306 4.470 0.000 0.000 0.226 5779 S C 2.778 177.389 174.600 0.018 0.000 1.033 5779 S CA 2.760 60.993 58.200 0.056 0.000 1.011 5779 S CB -0.548 62.726 63.200 0.123 0.000 0.852 5779 S HN 1.394 nan 8.310 nan 0.000 0.457 5780 T N -0.429 114.129 114.554 0.006 0.000 2.668 5780 T HA -0.031 4.319 4.350 0.000 0.000 0.262 5780 T C 1.632 176.301 174.700 -0.052 0.000 1.045 5780 T CA 1.513 63.613 62.100 -0.000 0.000 1.152 5780 T CB -0.905 67.965 68.868 0.003 0.000 0.864 5780 T HN 0.335 nan 8.240 nan 0.000 0.419 5781 E N 0.919 121.074 120.200 -0.075 0.000 2.171 5781 E HA -0.054 4.296 4.350 0.000 0.000 0.197 5781 E C 2.271 178.779 176.600 -0.153 0.000 0.997 5781 E CA 0.858 57.193 56.400 -0.108 0.000 0.810 5781 E CB -0.769 28.864 29.700 -0.111 0.000 0.738 5781 E HN 0.449 nan 8.360 nan 0.000 0.467 5782 V N 0.379 120.159 119.914 -0.223 0.000 2.453 5782 V HA -0.180 3.940 4.120 0.000 0.000 0.247 5782 V C 2.233 178.089 176.094 -0.397 0.000 1.048 5782 V CA 1.688 63.772 62.300 -0.361 0.000 1.049 5782 V CB -0.364 31.119 31.823 -0.566 0.000 0.672 5782 V HN 0.198 nan 8.190 nan 0.000 0.457 5783 E N 0.714 120.721 120.200 -0.322 0.000 2.110 5783 E HA -0.177 4.173 4.350 0.000 0.000 0.193 5783 E C 2.012 178.583 176.600 -0.050 0.000 0.988 5783 E CA 1.478 57.867 56.400 -0.018 0.000 0.804 5783 E CB -0.393 29.394 29.700 0.145 0.000 0.745 5783 E HN 0.553 nan 8.360 nan 0.000 0.458 5784 L N -0.120 121.061 121.223 -0.070 0.000 2.056 5784 L HA -0.129 4.211 4.340 0.000 0.000 0.207 5784 L C 2.623 179.444 176.870 -0.082 0.000 1.078 5784 L CA 1.297 56.101 54.840 -0.061 0.000 0.749 5784 L CB -0.648 41.395 42.059 -0.027 0.000 0.901 5784 L HN 0.175 nan 8.230 nan 0.000 0.433 5785 S N -0.301 115.340 115.700 -0.099 0.000 2.370 5785 S HA -0.217 4.253 4.470 0.000 0.000 0.226 5785 S C 2.132 176.680 174.600 -0.086 0.000 1.033 5785 S CA 1.316 59.462 58.200 -0.090 0.000 1.011 5785 S CB -0.016 63.120 63.200 -0.107 0.000 0.852 5785 S HN 0.213 nan 8.310 nan 0.000 0.457 5786 M N 0.984 120.530 119.600 -0.091 0.000 2.067 5786 M HA 0.014 4.494 4.480 0.000 0.000 0.260 5786 M C 2.161 178.387 176.300 -0.124 0.000 1.069 5786 M CA 1.494 56.753 55.300 -0.068 0.000 1.117 5786 M CB -1.116 31.477 32.600 -0.011 0.000 1.334 5786 M HN 0.240 nan 8.290 nan 0.000 0.407 5787 K N 0.330 120.609 120.400 -0.202 0.000 2.116 5787 K HA 0.085 4.405 4.320 0.000 0.000 0.203 5787 K C 2.075 178.219 176.600 -0.761 0.000 1.052 5787 K CA 0.867 56.885 56.287 -0.449 0.000 0.952 5787 K CB -0.441 31.792 32.500 -0.446 0.000 0.729 5787 K HN 0.374 nan 8.250 nan 0.000 0.446 5788 L N 0.295 121.264 121.223 -0.424 0.000 2.313 5788 L HA -0.027 4.313 4.340 0.000 0.000 0.214 5788 L C 2.406 179.248 176.870 -0.046 0.000 1.119 5788 L CA 0.620 55.334 54.840 -0.211 0.000 0.809 5788 L CB -0.205 41.856 42.059 0.004 0.000 0.933 5788 L HN 0.098 nan 8.230 nan 0.000 0.449 5789 R N 0.195 120.656 120.500 -0.065 0.000 2.092 5789 R HA -0.138 4.202 4.340 0.000 0.000 0.231 5789 R C 2.068 178.381 176.300 0.022 0.000 1.119 5789 R CA 1.252 57.349 56.100 -0.005 0.000 0.970 5789 R CB -0.120 30.172 30.300 -0.014 0.000 0.864 5789 R HN 0.427 nan 8.270 nan 0.000 0.440 5790 E N -0.470 119.723 120.200 -0.012 0.000 2.107 5790 E HA -0.159 4.192 4.350 0.000 0.000 0.191 5790 E C 1.620 178.353 176.600 0.222 0.000 0.982 5790 E CA 0.844 57.286 56.400 0.070 0.000 0.809 5790 E CB 0.014 29.741 29.700 0.046 0.000 0.756 5790 E HN 0.323 nan 8.360 nan 0.000 0.459 5791 Y N 0.618 120.935 120.300 0.028 0.000 2.200 5791 Y HA -0.102 4.448 4.550 0.000 0.000 0.290 5791 Y C 2.416 178.330 175.900 0.024 0.000 1.137 5791 Y CA 0.624 58.739 58.100 0.024 0.000 1.163 5791 Y CB -1.135 37.340 38.460 0.025 0.000 0.988 5791 Y HN 0.030 nan 8.280 nan 0.000 0.518 5792 A N 0.279 123.219 122.820 0.199 0.000 1.908 5792 A HA -0.173 4.147 4.320 0.000 0.000 0.218 5792 A C 2.182 179.819 177.584 0.089 0.000 1.181 5792 A CA 1.734 53.843 52.037 0.121 0.000 0.627 5792 A CB -0.444 18.616 19.000 0.100 0.000 0.818 5792 A HN 0.328 nan 8.150 nan 0.000 0.445 5793 E N -0.505 119.748 120.200 0.088 0.000 2.110 5793 E HA -0.129 4.222 4.350 0.000 0.000 0.193 5793 E C 2.154 178.789 176.600 0.059 0.000 0.988 5793 E CA 1.158 57.597 56.400 0.065 0.000 0.804 5793 E CB -0.646 29.090 29.700 0.060 0.000 0.745 5793 E HN 0.600 nan 8.360 nan 0.000 0.458 5794 G N 1.061 109.906 108.800 0.074 0.000 2.403 5794 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 5794 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 5794 G C 1.758 176.674 174.900 0.027 0.000 1.154 5794 G CA 0.306 45.434 45.100 0.046 0.000 0.784 5794 G HN 0.156 nan 8.290 nan 0.000 0.538 5795 I N -0.112 120.480 120.570 0.037 0.000 2.202 5795 I HA -0.031 4.139 4.170 0.000 0.000 0.242 5795 I C 1.753 177.882 176.117 0.021 0.000 1.091 5795 I CA 0.825 62.139 61.300 0.023 0.000 1.368 5795 I CB -0.308 37.713 38.000 0.036 0.000 1.058 5795 I HN 0.321 nan 8.210 nan 0.000 0.410 5796 S N -1.181 114.537 115.700 0.030 0.000 3.633 5796 S HA -0.130 4.341 4.470 0.000 0.000 0.637 5796 S C 0.507 175.119 174.600 0.020 0.000 2.289 5796 S CA 0.834 59.049 58.200 0.025 0.000 2.476 5796 S CB -1.397 61.813 63.200 0.018 0.000 0.330 5796 S HN 1.409 nan 8.310 nan 0.000 1.787 5797 G N 0.756 109.565 108.800 0.016 0.000 2.552 5797 G HA2 -0.298 3.662 3.960 0.000 0.000 0.265 5797 G HA3 -0.298 3.662 3.960 0.000 0.000 0.265 5797 G C 0.321 175.230 174.900 0.016 0.000 1.234 5797 G CA 0.971 46.078 45.100 0.012 0.000 0.944 5797 G HN 1.112 nan 8.290 nan 0.000 0.568 5798 R N 0.502 121.009 120.500 0.013 0.000 2.210 5798 R HA 0.146 4.487 4.340 0.000 0.000 0.203 5798 R C 2.487 178.800 176.300 0.021 0.000 1.010 5798 R CA 1.102 57.212 56.100 0.017 0.000 1.008 5798 R CB -0.064 30.244 30.300 0.013 0.000 0.923 5798 R HN 0.707 nan 8.270 nan 0.000 0.469 5799 E N 1.192 121.402 120.200 0.017 0.000 2.160 5799 E HA -0.260 4.090 4.350 0.000 0.000 0.195 5799 E C 1.869 178.495 176.600 0.043 0.000 0.991 5799 E CA 1.536 57.948 56.400 0.020 0.000 0.810 5799 E CB 0.045 29.751 29.700 0.011 0.000 0.742 5799 E HN 0.379 nan 8.360 nan 0.000 0.466 5800 Q N 0.812 120.639 119.800 0.045 0.000 2.291 5800 Q HA -0.112 4.228 4.340 0.000 0.000 0.205 5800 Q C 1.936 177.979 176.000 0.073 0.000 0.970 5800 Q CA 1.104 56.943 55.803 0.061 0.000 0.876 5800 Q CB -0.355 28.414 28.738 0.052 0.000 0.935 5800 Q HN 0.299 nan 8.270 nan 0.000 0.455 5801 L N -0.328 120.933 121.223 0.063 0.000 2.072 5801 L HA 0.029 4.369 4.340 0.000 0.000 0.205 5801 L C 2.285 179.216 176.870 0.102 0.000 1.079 5801 L CA 1.104 55.985 54.840 0.069 0.000 0.752 5801 L CB -0.478 41.610 42.059 0.048 0.000 0.906 5801 L HN 0.438 nan 8.230 nan 0.000 0.436 5802 A N -0.777 122.104 122.820 0.101 0.000 1.930 5802 A HA -0.150 4.171 4.320 0.000 0.000 0.217 5802 A C 2.142 179.913 177.584 0.310 0.000 1.175 5802 A CA 1.715 53.850 52.037 0.162 0.000 0.627 5802 A CB -0.752 18.268 19.000 0.034 0.000 0.815 5802 A HN 0.295 nan 8.150 nan 0.000 0.443 5803 V N -0.086 119.954 119.914 0.210 0.000 2.427 5803 V HA -0.195 3.926 4.120 0.000 0.000 0.248 5803 V C 2.637 178.859 176.094 0.214 0.000 1.051 5803 V CA 2.208 64.634 62.300 0.210 0.000 1.048 5803 V CB -0.784 31.120 31.823 0.135 0.000 0.666 5803 V HN 0.616 nan 8.190 nan 0.000 0.456 5804 R N 1.205 121.800 120.500 0.158 0.000 2.081 5804 R HA -0.070 4.271 4.340 0.000 0.000 0.235 5804 R C 2.150 178.521 176.300 0.119 0.000 1.131 5804 R CA 1.877 58.046 56.100 0.115 0.000 0.960 5804 R CB -0.912 29.437 30.300 0.081 0.000 0.856 5804 R HN 0.434 nan 8.270 nan 0.000 0.436 5805 A N -0.471 122.446 122.820 0.162 0.000 1.898 5805 A HA -0.123 4.198 4.320 0.000 0.000 0.216 5805 A C 2.163 179.827 177.584 0.133 0.000 1.181 5805 A CA 1.360 53.490 52.037 0.156 0.000 0.620 5805 A CB -0.840 18.291 19.000 0.218 0.000 0.819 5805 A HN 0.479 nan 8.150 nan 0.000 0.442 5806 F N 0.922 120.893 119.950 0.034 0.000 2.102 5806 F HA -0.062 4.465 4.527 0.000 0.000 0.298 5806 F C 2.546 178.281 175.800 -0.109 0.000 1.105 5806 F CA 1.391 59.292 58.000 -0.164 0.000 1.239 5806 F CB -0.375 38.492 39.000 -0.221 0.000 0.991 5806 F HN 0.246 nan 8.300 nan 0.000 0.474 5807 A N -0.115 122.783 122.820 0.130 0.000 1.902 5807 A HA -0.200 4.120 4.320 0.000 0.000 0.217 5807 A C 1.896 179.431 177.584 -0.081 0.000 1.181 5807 A CA 2.069 54.122 52.037 0.026 0.000 0.623 5807 A CB -0.967 18.075 19.000 0.071 0.000 0.818 5807 A HN 0.456 nan 8.150 nan 0.000 0.443 5808 D N -0.151 120.217 120.400 -0.053 0.000 2.183 5808 D HA 0.059 4.700 4.640 0.000 0.000 0.203 5808 D C 2.126 178.358 176.300 -0.113 0.000 0.969 5808 D CA 1.229 55.189 54.000 -0.066 0.000 0.842 5808 D CB -0.357 40.428 40.800 -0.026 0.000 0.957 5808 D HN 0.419 nan 8.370 nan 0.000 0.484 5809 A N 0.583 123.305 122.820 -0.163 0.000 2.019 5809 A HA -0.088 4.232 4.320 0.000 0.000 0.219 5809 A C 2.228 179.662 177.584 -0.250 0.000 1.164 5809 A CA 0.650 52.562 52.037 -0.207 0.000 0.644 5809 A CB -0.663 18.173 19.000 -0.274 0.000 0.805 5809 A HN 0.222 nan 8.150 nan 0.000 0.449 5810 L N -0.836 120.207 121.223 -0.300 0.000 2.265 5810 L HA -0.162 4.178 4.340 0.000 0.000 0.215 5810 L C 2.392 179.159 176.870 -0.172 0.000 1.117 5810 L CA 1.399 56.081 54.840 -0.263 0.000 0.782 5810 L CB -0.413 41.489 42.059 -0.262 0.000 0.914 5810 L HN 0.534 nan 8.230 nan 0.000 0.441 5811 E N -0.001 120.112 120.200 -0.145 0.000 2.338 5811 E HA -0.199 4.151 4.350 0.000 0.000 0.197 5811 E C 2.218 178.760 176.600 -0.097 0.000 1.007 5811 E CA 0.494 56.827 56.400 -0.111 0.000 0.849 5811 E CB 0.155 29.800 29.700 -0.093 0.000 0.774 5811 E HN 0.276 nan 8.360 nan 0.000 0.506 5812 V N 0.854 120.706 119.914 -0.103 0.000 2.568 5812 V HA -0.247 3.873 4.120 0.000 0.000 0.253 5812 V C 1.839 177.886 176.094 -0.078 0.000 1.072 5812 V CA 1.196 63.445 62.300 -0.086 0.000 1.084 5812 V CB -0.277 31.492 31.823 -0.090 0.000 0.676 5812 V HN 0.331 nan 8.190 nan 0.000 0.469 5813 I N 1.142 121.660 120.570 -0.086 0.000 2.162 5813 I HA -0.019 4.151 4.170 0.000 0.000 0.238 5813 I C 0.169 176.247 176.117 -0.065 0.000 1.076 5813 I CA 1.571 62.827 61.300 -0.074 0.000 1.353 5813 I CB -2.836 35.117 38.000 -0.077 0.000 1.063 5813 I HN 0.334 nan 8.210 nan 0.000 0.408 5814 P HA -0.163 nan 4.420 nan 0.000 0.220 5814 P C 1.740 179.007 177.300 -0.054 0.000 1.148 5814 P CA 1.470 64.534 63.100 -0.059 0.000 0.803 5814 P CB -0.131 31.529 31.700 -0.066 0.000 0.782 5815 R N -0.183 120.283 120.500 -0.057 0.000 2.062 5815 R HA -0.046 4.294 4.340 0.000 0.000 0.229 5815 R C 2.075 178.346 176.300 -0.048 0.000 1.128 5815 R CA 1.898 57.967 56.100 -0.050 0.000 0.960 5815 R CB -0.733 29.536 30.300 -0.051 0.000 0.855 5815 R HN 0.044 nan 8.270 nan 0.000 0.432 5816 T N 1.287 115.809 114.554 -0.052 0.000 2.904 5816 T HA -0.002 4.348 4.350 0.000 0.000 0.267 5816 T C 1.727 176.396 174.700 -0.053 0.000 1.059 5816 T CA 0.792 62.862 62.100 -0.050 0.000 1.137 5816 T CB -0.003 68.834 68.868 -0.050 0.000 0.879 5816 T HN 0.146 nan 8.240 nan 0.000 0.467 5817 L N 0.814 122.003 121.223 -0.056 0.000 2.046 5817 L HA -0.084 4.256 4.340 0.000 0.000 0.208 5817 L C 3.020 179.851 176.870 -0.066 0.000 1.077 5817 L CA 1.273 56.075 54.840 -0.063 0.000 0.747 5817 L CB -0.616 41.408 42.059 -0.059 0.000 0.896 5817 L HN 0.236 nan 8.230 nan 0.000 0.432 5818 A N -0.460 122.327 122.820 -0.055 0.000 1.930 5818 A HA -0.246 4.075 4.320 0.000 0.000 0.217 5818 A C 2.260 179.815 177.584 -0.049 0.000 1.175 5818 A CA 1.716 53.723 52.037 -0.050 0.000 0.627 5818 A CB -0.474 18.502 19.000 -0.040 0.000 0.815 5818 A HN 0.476 nan 8.150 nan 0.000 0.443 5819 E N 0.045 120.217 120.200 -0.046 0.000 2.058 5819 E HA -0.239 4.112 4.350 0.000 0.000 0.194 5819 E C 1.601 178.173 176.600 -0.047 0.000 0.997 5819 E CA 1.457 57.832 56.400 -0.042 0.000 0.801 5819 E CB -0.155 29.521 29.700 -0.040 0.000 0.746 5819 E HN 0.555 nan 8.360 nan 0.000 0.450 5820 N N 0.266 118.933 118.700 -0.054 0.000 2.244 5820 N HA -0.102 4.638 4.740 0.000 0.000 0.183 5820 N C 1.437 176.903 175.510 -0.072 0.000 1.016 5820 N CA 1.125 54.139 53.050 -0.060 0.000 0.866 5820 N CB -0.283 38.164 38.487 -0.065 0.000 0.980 5820 N HN 0.223 nan 8.380 nan 0.000 0.430 5821 A N 0.010 122.781 122.820 -0.081 0.000 2.119 5821 A HA 0.284 4.605 4.320 0.000 0.000 0.217 5821 A C 1.476 179.021 177.584 -0.065 0.000 1.153 5821 A CA 1.107 53.089 52.037 -0.093 0.000 0.692 5821 A CB -0.454 18.483 19.000 -0.104 0.000 0.799 5821 A HN 0.333 nan 8.150 nan 0.000 0.458 5822 G N -1.414 107.355 108.800 -0.051 0.000 2.149 5822 G HA2 -0.181 3.780 3.960 0.000 0.000 0.235 5822 G HA3 -0.181 3.780 3.960 0.000 0.000 0.235 5822 G C -0.064 174.818 174.900 -0.031 0.000 1.018 5822 G CA 0.271 45.349 45.100 -0.037 0.000 0.728 5822 G HN 0.447 nan 8.290 nan 0.000 0.508 5823 L N -0.062 121.141 121.223 -0.034 0.000 2.375 5823 L HA 0.518 4.858 4.340 0.000 0.000 0.268 5823 L C 0.271 177.127 176.870 -0.024 0.000 1.058 5823 L CA -1.069 53.755 54.840 -0.027 0.000 0.803 5823 L CB 1.055 43.096 42.059 -0.030 0.000 1.212 5823 L HN 0.081 nan 8.230 nan 0.000 0.451 5824 D N 1.122 121.511 120.400 -0.019 0.000 2.359 5824 D HA 0.188 4.829 4.640 0.000 0.000 0.250 5824 D C 0.808 177.096 176.300 -0.019 0.000 1.264 5824 D CA -0.011 53.978 54.000 -0.018 0.000 0.911 5824 D CB 1.637 42.428 40.800 -0.014 0.000 1.056 5824 D HN 0.599 nan 8.370 nan 0.000 0.499 5825 A N 4.633 127.440 122.820 -0.022 0.000 1.986 5825 A HA -0.188 4.132 4.320 0.000 0.000 0.220 5825 A C 2.254 179.825 177.584 -0.022 0.000 1.171 5825 A CA 0.962 52.984 52.037 -0.025 0.000 0.640 5825 A CB -0.390 18.593 19.000 -0.029 0.000 0.811 5825 A HN 0.747 nan 8.150 nan 0.000 0.451 5826 I N -0.925 119.634 120.570 -0.019 0.000 2.163 5826 I HA -0.252 3.918 4.170 0.000 0.000 0.240 5826 I C 2.582 178.691 176.117 -0.013 0.000 1.081 5826 I CA 1.834 63.124 61.300 -0.016 0.000 1.353 5826 I CB -0.349 37.643 38.000 -0.013 0.000 1.054 5826 I HN 0.523 nan 8.210 nan 0.000 0.407 5827 E N 1.231 121.424 120.200 -0.012 0.000 2.110 5827 E HA -0.222 4.128 4.350 0.000 0.000 0.193 5827 E C 2.297 178.892 176.600 -0.009 0.000 0.988 5827 E CA 1.193 57.588 56.400 -0.009 0.000 0.804 5827 E CB 0.197 29.892 29.700 -0.007 0.000 0.745 5827 E HN 0.308 nan 8.360 nan 0.000 0.458 5828 I N 0.754 121.316 120.570 -0.012 0.000 2.113 5828 I HA -0.242 3.928 4.170 0.000 0.000 0.238 5828 I C 2.392 178.501 176.117 -0.014 0.000 1.070 5828 I CA 0.873 62.165 61.300 -0.012 0.000 1.332 5828 I CB -1.085 36.904 38.000 -0.019 0.000 1.044 5828 I HN 0.257 nan 8.210 nan 0.000 0.402 5829 L N 0.123 121.334 121.223 -0.020 0.000 2.083 5829 L HA -0.140 4.200 4.340 0.000 0.000 0.209 5829 L C 2.545 179.404 176.870 -0.018 0.000 1.083 5829 L CA 1.278 56.103 54.840 -0.025 0.000 0.752 5829 L CB -1.000 41.042 42.059 -0.030 0.000 0.899 5829 L HN 0.003 nan 8.230 nan 0.000 0.433 5830 V N -0.905 119.002 119.914 -0.012 0.000 2.283 5830 V HA -0.237 3.884 4.120 0.000 0.000 0.243 5830 V C 2.401 178.495 176.094 0.001 0.000 1.039 5830 V CA 1.505 63.802 62.300 -0.006 0.000 1.016 5830 V CB -0.435 31.384 31.823 -0.005 0.000 0.650 5830 V HN 0.398 nan 8.190 nan 0.000 0.449 5831 K N -0.389 120.012 120.400 0.002 0.000 2.155 5831 K HA -0.053 4.267 4.320 0.000 0.000 0.203 5831 K C 2.015 178.625 176.600 0.016 0.000 1.052 5831 K CA 0.968 57.260 56.287 0.008 0.000 0.948 5831 K CB -0.145 32.358 32.500 0.006 0.000 0.728 5831 K HN 0.306 nan 8.250 nan 0.000 0.448 5832 V N 1.151 121.073 119.914 0.014 0.000 2.302 5832 V HA -0.179 3.941 4.120 0.000 0.000 0.243 5832 V C 2.373 178.495 176.094 0.047 0.000 1.036 5832 V CA 1.493 63.809 62.300 0.027 0.000 1.020 5832 V CB -0.404 31.424 31.823 0.008 0.000 0.657 5832 V HN 0.281 nan 8.190 nan 0.000 0.453 5833 R N 0.363 120.873 120.500 0.017 0.000 2.081 5833 R HA -0.171 4.169 4.340 0.000 0.000 0.235 5833 R C 2.257 178.591 176.300 0.057 0.000 1.131 5833 R CA 1.774 57.885 56.100 0.018 0.000 0.960 5833 R CB -0.448 29.843 30.300 -0.016 0.000 0.856 5833 R HN 0.479 nan 8.270 nan 0.000 0.436 5834 A N 0.627 123.469 122.820 0.037 0.000 1.898 5834 A HA -0.065 4.255 4.320 0.000 0.000 0.216 5834 A C 2.350 179.958 177.584 0.040 0.000 1.181 5834 A CA 1.593 53.650 52.037 0.033 0.000 0.620 5834 A CB -0.764 18.247 19.000 0.018 0.000 0.819 5834 A HN 0.538 nan 8.150 nan 0.000 0.442 5835 A N -1.195 121.651 122.820 0.044 0.000 1.969 5835 A HA -0.142 4.178 4.320 0.000 0.000 0.218 5835 A C 1.981 179.590 177.584 0.042 0.000 1.169 5835 A CA 2.013 54.071 52.037 0.036 0.000 0.635 5835 A CB -0.801 18.219 19.000 0.033 0.000 0.810 5835 A HN 0.777 nan 8.150 nan 0.000 0.445 5836 H N -0.274 118.791 119.070 -0.008 0.000 2.326 5836 H HA 0.082 4.638 4.556 0.001 0.000 0.301 5836 H C 2.208 177.530 175.328 -0.011 0.000 1.081 5836 H CA 1.880 57.922 56.048 -0.010 0.000 1.334 5836 H CB -0.148 29.605 29.762 -0.014 0.000 1.385 5836 H HN 0.390 nan 8.280 nan 0.000 0.504 5837 A N -0.714 122.172 122.820 0.111 0.000 1.933 5837 A HA -0.158 4.162 4.320 0.000 0.000 0.218 5837 A C 2.542 180.120 177.584 -0.009 0.000 1.175 5837 A CA 1.837 53.908 52.037 0.056 0.000 0.628 5837 A CB -0.958 18.080 19.000 0.064 0.000 0.814 5837 A HN 0.500 nan 8.150 nan 0.000 0.444 5838 S N -0.527 115.166 115.700 -0.011 0.000 2.356 5838 S HA -0.077 4.393 4.470 0.000 0.000 0.219 5838 S C 1.876 176.452 174.600 -0.040 0.000 1.036 5838 S CA 1.132 59.321 58.200 -0.018 0.000 0.965 5838 S CB -0.366 62.830 63.200 -0.007 0.000 0.864 5838 S HN 0.644 nan 8.310 nan 0.000 0.471 5839 N N 0.697 119.364 118.700 -0.055 0.000 2.368 5839 N HA 0.247 4.987 4.740 0.000 0.000 0.176 5839 N C 1.002 176.447 175.510 -0.108 0.000 1.021 5839 N CA 0.943 53.954 53.050 -0.065 0.000 0.888 5839 N CB 0.594 39.053 38.487 -0.048 0.000 0.995 5839 N HN 0.577 nan 8.380 nan 0.000 0.437 5840 G N 1.170 109.850 108.800 -0.200 0.000 2.373 5840 G HA2 -0.213 3.747 3.960 0.000 0.000 0.634 5840 G HA3 -0.213 3.747 3.960 0.000 0.000 0.634 5840 G C -0.020 174.594 174.900 -0.478 0.000 1.267 5840 G CA 0.060 44.986 45.100 -0.290 0.000 1.008 5840 G HN 0.283 nan 8.290 nan 0.000 0.497 5841 N N -0.649 117.833 118.700 -0.362 0.000 2.405 5841 N HA 0.063 4.803 4.740 0.000 0.000 0.175 5841 N C 1.250 176.738 175.510 -0.036 0.000 1.051 5841 N CA 1.259 54.190 53.050 -0.197 0.000 0.899 5841 N CB 0.147 38.636 38.487 0.005 0.000 1.000 5841 N HN 0.623 nan 8.380 nan 0.000 0.451 5842 K N -0.505 119.863 120.400 -0.054 0.000 2.414 5842 K HA 0.316 4.637 4.320 0.000 0.000 0.204 5842 K C -0.494 176.091 176.600 -0.025 0.000 1.026 5842 K CA -0.141 56.135 56.287 -0.020 0.000 1.108 5842 K CB 0.490 32.982 32.500 -0.014 0.000 0.855 5842 K HN 0.114 nan 8.250 nan 0.000 0.517 5843 C N 0.989 120.261 119.300 -0.048 0.000 2.887 5843 C HA 0.634 5.094 4.460 0.000 0.000 0.240 5843 C C 0.429 175.401 174.990 -0.030 0.000 1.872 5843 C CA -0.654 58.341 59.018 -0.038 0.000 1.626 5843 C CB -0.783 26.925 27.740 -0.053 0.000 3.115 5843 C HN 0.497 nan 8.230 nan 0.000 0.488 5844 A N -0.016 122.804 122.820 -0.000 0.000 5.519 5844 A HA 0.940 5.260 4.320 0.000 0.000 0.158 5844 A C 0.170 177.792 177.584 0.064 0.000 0.860 5844 A CA 0.418 52.479 52.037 0.040 0.000 1.134 5844 A CB -0.396 18.644 19.000 0.067 0.000 2.248 5844 A HN 1.914 nan 8.150 nan 0.000 1.056 5845 G N -1.911 106.944 108.800 0.092 0.000 2.814 5845 G HA2 0.361 4.322 3.960 0.000 0.000 0.677 5845 G HA3 0.361 4.322 3.960 0.000 0.000 0.677 5845 G C -0.685 174.242 174.900 0.045 0.000 1.429 5845 G CA 0.009 45.149 45.100 0.068 0.000 0.868 5845 G HN 2.091 nan 8.290 nan 0.000 0.553 5846 L N 0.419 121.660 121.223 0.031 0.000 2.289 5846 L HA 0.754 5.094 4.340 0.000 0.000 0.285 5846 L C 0.182 177.074 176.870 0.038 0.000 1.049 5846 L CA -0.970 53.884 54.840 0.023 0.000 0.804 5846 L CB 1.544 43.604 42.059 0.001 0.000 1.195 5846 L HN 0.738 nan 8.230 nan 0.000 0.428 5847 N N 3.025 121.754 118.700 0.049 0.000 2.546 5847 N HA 0.223 4.963 4.740 0.000 0.000 0.238 5847 N C 0.804 176.351 175.510 0.061 0.000 0.984 5847 N CA -0.219 52.886 53.050 0.092 0.000 0.935 5847 N CB 1.140 39.693 38.487 0.110 0.000 1.122 5847 N HN 0.530 nan 8.380 nan 0.000 0.510 5848 V N 1.524 121.438 119.914 -0.000 0.000 2.970 5848 V HA -0.003 4.117 4.120 0.000 0.000 0.260 5848 V C 1.409 177.408 176.094 -0.159 0.000 1.100 5848 V CA 1.229 63.456 62.300 -0.122 0.000 1.122 5848 V CB -1.157 30.522 31.823 -0.239 0.000 0.721 5848 V HN 0.453 nan 8.190 nan 0.000 0.483 5849 F N 2.541 122.489 119.950 -0.004 0.000 2.259 5849 F HA -0.038 4.489 4.527 0.001 0.000 0.298 5849 F C 2.661 178.460 175.800 -0.003 0.000 1.088 5849 F CA 1.846 59.844 58.000 -0.003 0.000 1.358 5849 F CB -0.368 38.630 39.000 -0.002 0.000 1.040 5849 F HN 0.388 nan 8.300 nan 0.000 0.505 5850 T N -4.094 110.560 114.554 0.167 0.000 3.001 5850 T HA 0.377 4.727 4.350 0.000 0.000 0.251 5850 T C 1.476 176.203 174.700 0.045 0.000 1.040 5850 T CA 0.408 62.562 62.100 0.089 0.000 0.985 5850 T CB 0.320 69.232 68.868 0.074 0.000 1.011 5850 T HN 0.348 nan 8.240 nan 0.000 0.509 5851 G N 1.075 109.893 108.800 0.030 0.000 2.248 5851 G HA2 0.269 4.229 3.960 0.000 0.000 0.263 5851 G HA3 0.269 4.229 3.960 0.000 0.000 0.263 5851 G C 0.053 174.957 174.900 0.007 0.000 1.082 5851 G CA -0.227 44.874 45.100 0.003 0.000 0.863 5851 G HN 1.416 nan 8.290 nan 0.000 0.495 5852 A N -1.594 121.236 122.820 0.016 0.000 2.608 5852 A HA 0.875 5.195 4.320 0.000 0.000 0.292 5852 A C 0.021 177.618 177.584 0.021 0.000 1.066 5852 A CA 0.122 52.168 52.037 0.016 0.000 0.676 5852 A CB 1.479 20.490 19.000 0.018 0.000 1.277 5852 A HN 1.783 nan 8.150 nan 0.000 0.413 5853 V N 1.811 121.736 119.914 0.018 0.000 2.599 5853 V HA 0.400 4.520 4.120 0.000 0.000 0.300 5853 V C 0.008 176.118 176.094 0.026 0.000 1.034 5853 V CA 1.008 63.322 62.300 0.023 0.000 1.115 5853 V CB 0.452 32.287 31.823 0.021 0.000 0.934 5853 V HN 0.916 nan 8.190 nan 0.000 0.485 5854 E N 3.793 124.012 120.200 0.031 0.000 2.390 5854 E HA 0.376 4.726 4.350 0.000 0.000 0.242 5854 E C -1.448 175.167 176.600 0.026 0.000 0.907 5854 E CA -0.680 55.737 56.400 0.028 0.000 0.884 5854 E CB 0.855 30.576 29.700 0.036 0.000 1.788 5854 E HN 0.699 nan 8.360 nan 0.000 0.427 5855 D N 1.345 121.758 120.400 0.021 0.000 2.460 5855 D HA 0.182 4.822 4.640 0.000 0.000 0.232 5855 D C 0.811 177.123 176.300 0.021 0.000 1.079 5855 D CA -0.276 53.734 54.000 0.016 0.000 0.864 5855 D CB 0.693 41.497 40.800 0.007 0.000 1.048 5855 D HN 0.186 nan 8.370 nan 0.000 0.523 5856 M N 1.858 121.474 119.600 0.028 0.000 2.175 5856 M HA -0.120 4.360 4.480 0.000 0.000 0.264 5856 M C 2.305 178.617 176.300 0.020 0.000 1.063 5856 M CA 0.668 55.987 55.300 0.031 0.000 1.119 5856 M CB -1.127 31.497 32.600 0.040 0.000 1.377 5856 M HN 0.526 nan 8.290 nan 0.000 0.415 5857 C N 0.672 119.980 119.300 0.015 0.000 2.453 5857 C HA -0.157 4.303 4.460 0.000 0.000 0.277 5857 C C 2.701 177.693 174.990 0.003 0.000 1.262 5857 C CA 1.294 60.317 59.018 0.008 0.000 1.718 5857 C CB -0.893 26.850 27.740 0.004 0.000 2.031 5857 C HN 0.634 nan 8.230 nan 0.000 0.480 5858 E N 0.130 120.331 120.200 0.002 0.000 2.118 5858 E HA -0.197 4.153 4.350 0.000 0.000 0.195 5858 E C 1.340 177.937 176.600 -0.006 0.000 0.992 5858 E CA 1.296 57.695 56.400 -0.002 0.000 0.804 5858 E CB -0.182 29.517 29.700 -0.002 0.000 0.741 5858 E HN 0.659 nan 8.360 nan 0.000 0.458 5859 N N -0.458 118.240 118.700 -0.004 0.000 2.398 5859 N HA 0.013 4.753 4.740 0.000 0.000 0.188 5859 N C 0.681 176.181 175.510 -0.017 0.000 1.122 5859 N CA 0.889 53.931 53.050 -0.013 0.000 0.866 5859 N CB 1.022 39.503 38.487 -0.010 0.000 0.970 5859 N HN 0.322 nan 8.380 nan 0.000 0.462 5860 G N 0.616 109.412 108.800 -0.007 0.000 2.160 5860 G HA2 -0.259 3.701 3.960 0.000 0.000 0.251 5860 G HA3 -0.259 3.701 3.960 0.000 0.000 0.251 5860 G C 0.000 174.901 174.900 0.001 0.000 1.008 5860 G CA 0.017 45.113 45.100 -0.006 0.000 0.724 5860 G HN 0.191 nan 8.290 nan 0.000 0.514 5861 V N 1.388 121.309 119.914 0.011 0.000 2.276 5861 V HA 0.473 4.593 4.120 0.000 0.000 0.249 5861 V C 0.854 176.964 176.094 0.027 0.000 1.160 5861 V CA 0.172 62.488 62.300 0.027 0.000 1.042 5861 V CB 0.446 32.297 31.823 0.046 0.000 1.224 5861 V HN 1.041 nan 8.190 nan 0.000 0.496 5862 V N 1.526 121.453 119.914 0.022 0.000 2.962 5862 V HA 0.787 4.907 4.120 0.000 0.000 0.313 5862 V C -0.703 175.403 176.094 0.020 0.000 1.099 5862 V CA -0.876 61.436 62.300 0.020 0.000 0.971 5862 V CB 2.558 34.389 31.823 0.015 0.000 1.028 5862 V HN 0.630 nan 8.190 nan 0.000 0.430 5863 E N 2.298 122.509 120.200 0.018 0.000 2.293 5863 E HA 0.533 4.883 4.350 0.000 0.000 0.270 5863 E C -2.948 173.661 176.600 0.015 0.000 0.879 5863 E CA -2.245 54.164 56.400 0.017 0.000 0.756 5863 E CB 2.660 32.370 29.700 0.016 0.000 1.208 5863 E HN 0.572 nan 8.360 nan 0.000 0.428 5864 P HA -0.083 nan 4.420 nan 0.000 0.266 5864 P C 0.455 177.763 177.300 0.013 0.000 1.195 5864 P CA -0.092 63.016 63.100 0.012 0.000 0.768 5864 P CB 0.538 32.245 31.700 0.011 0.000 0.838 5865 L N 3.959 125.191 121.223 0.014 0.000 2.079 5865 L HA -0.168 4.172 4.340 0.000 0.000 0.210 5865 L C 2.281 179.161 176.870 0.016 0.000 1.081 5865 L CA 1.938 56.788 54.840 0.016 0.000 0.752 5865 L CB -0.844 41.225 42.059 0.017 0.000 0.896 5865 L HN 0.217 nan 8.230 nan 0.000 0.433 5866 R N -0.783 119.726 120.500 0.014 0.000 2.127 5866 R HA -0.126 4.214 4.340 0.000 0.000 0.238 5866 R C 2.010 178.318 176.300 0.013 0.000 1.134 5866 R CA 1.949 58.058 56.100 0.014 0.000 0.975 5866 R CB -1.008 29.299 30.300 0.012 0.000 0.865 5866 R HN 0.322 nan 8.270 nan 0.000 0.447 5867 V N 1.059 120.981 119.914 0.012 0.000 2.287 5867 V HA -0.262 3.858 4.120 0.000 0.000 0.248 5867 V C 2.140 178.240 176.094 0.010 0.000 1.053 5867 V CA 2.069 64.375 62.300 0.010 0.000 1.027 5867 V CB -0.407 31.422 31.823 0.009 0.000 0.646 5867 V HN 0.282 nan 8.190 nan 0.000 0.447 5868 K N 0.265 120.672 120.400 0.012 0.000 2.186 5868 K HA -0.034 4.286 4.320 0.000 0.000 0.202 5868 K C 2.267 178.880 176.600 0.021 0.000 1.052 5868 K CA 1.636 57.930 56.287 0.012 0.000 0.965 5868 K CB -0.685 31.823 32.500 0.013 0.000 0.746 5868 K HN 0.723 nan 8.250 nan 0.000 0.457 5869 T N -1.335 113.233 114.554 0.024 0.000 2.978 5869 T HA -0.080 4.270 4.350 0.000 0.000 0.262 5869 T C 2.017 176.734 174.700 0.028 0.000 1.063 5869 T CA 0.698 62.816 62.100 0.030 0.000 1.140 5869 T CB 0.087 68.970 68.868 0.026 0.000 0.886 5869 T HN -0.046 nan 8.240 nan 0.000 0.470 5870 Q N 1.898 121.711 119.800 0.022 0.000 2.083 5870 Q HA 0.267 4.607 4.340 0.000 0.000 0.198 5870 Q C 2.434 178.447 176.000 0.021 0.000 0.969 5870 Q CA 1.696 57.511 55.803 0.020 0.000 0.838 5870 Q CB -0.981 27.765 28.738 0.015 0.000 0.900 5870 Q HN 0.616 nan 8.270 nan 0.000 0.436 5871 A N 0.357 123.187 122.820 0.018 0.000 1.917 5871 A HA -0.190 4.130 4.320 0.000 0.000 0.219 5871 A C 2.121 179.721 177.584 0.027 0.000 1.182 5871 A CA 1.684 53.729 52.037 0.013 0.000 0.633 5871 A CB -0.807 18.193 19.000 0.001 0.000 0.819 5871 A HN 0.487 nan 8.150 nan 0.000 0.448 5872 I N -1.002 119.595 120.570 0.045 0.000 2.163 5872 I HA -0.255 3.915 4.170 0.000 0.000 0.240 5872 I C 2.847 179.008 176.117 0.074 0.000 1.081 5872 I CA 1.202 62.553 61.300 0.085 0.000 1.353 5872 I CB -0.399 37.661 38.000 0.100 0.000 1.054 5872 I HN 0.322 nan 8.210 nan 0.000 0.407 5873 Q N 0.550 120.380 119.800 0.050 0.000 2.002 5873 Q HA -0.178 4.163 4.340 0.000 0.000 0.204 5873 Q C 2.495 178.519 176.000 0.041 0.000 0.988 5873 Q CA 2.045 57.873 55.803 0.041 0.000 0.843 5873 Q CB -0.540 28.216 28.738 0.030 0.000 0.908 5873 Q HN 0.410 nan 8.270 nan 0.000 0.420 5874 S N 0.845 116.566 115.700 0.034 0.000 2.356 5874 S HA -0.130 4.340 4.470 0.000 0.000 0.223 5874 S C 1.975 176.597 174.600 0.037 0.000 1.032 5874 S CA 1.181 59.399 58.200 0.030 0.000 1.005 5874 S CB -0.309 62.904 63.200 0.022 0.000 0.867 5874 S HN 0.523 nan 8.310 nan 0.000 0.449 5875 A N 1.518 124.361 122.820 0.038 0.000 1.873 5875 A HA 0.140 4.461 4.320 0.000 0.000 0.215 5875 A C 2.356 179.983 177.584 0.070 0.000 1.186 5875 A CA 1.717 53.777 52.037 0.040 0.000 0.616 5875 A CB -1.125 17.887 19.000 0.020 0.000 0.823 5875 A HN 0.511 nan 8.150 nan 0.000 0.442 5876 A N -0.524 122.353 122.820 0.095 0.000 1.902 5876 A HA -0.127 4.194 4.320 0.000 0.000 0.217 5876 A C 1.941 179.588 177.584 0.106 0.000 1.181 5876 A CA 1.668 53.782 52.037 0.127 0.000 0.623 5876 A CB -0.404 18.665 19.000 0.115 0.000 0.818 5876 A HN 0.438 nan 8.150 nan 0.000 0.443 5877 E N -0.208 120.037 120.200 0.074 0.000 2.150 5877 E HA -0.113 4.237 4.350 0.000 0.000 0.193 5877 E C 2.293 178.928 176.600 0.059 0.000 0.985 5877 E CA 1.191 57.627 56.400 0.060 0.000 0.814 5877 E CB -0.493 29.233 29.700 0.043 0.000 0.752 5877 E HN 0.556 nan 8.360 nan 0.000 0.466 5878 S N 0.431 116.166 115.700 0.057 0.000 2.355 5878 S HA -0.126 4.344 4.470 0.000 0.000 0.222 5878 S C 2.194 176.831 174.600 0.062 0.000 1.031 5878 S CA 2.151 60.381 58.200 0.050 0.000 0.993 5878 S CB -0.284 62.939 63.200 0.039 0.000 0.859 5878 S HN 0.464 nan 8.310 nan 0.000 0.453 5879 T N -0.718 113.885 114.554 0.083 0.000 2.904 5879 T HA 0.040 4.390 4.350 0.000 0.000 0.267 5879 T C 1.737 176.511 174.700 0.123 0.000 1.059 5879 T CA 1.357 63.522 62.100 0.107 0.000 1.137 5879 T CB -0.502 68.455 68.868 0.148 0.000 0.879 5879 T HN 0.606 nan 8.240 nan 0.000 0.467 5880 E N 0.783 121.060 120.200 0.127 0.000 2.051 5880 E HA -0.166 4.185 4.350 0.000 0.000 0.192 5880 E C 2.253 178.890 176.600 0.062 0.000 0.991 5880 E CA 1.167 57.628 56.400 0.101 0.000 0.799 5880 E CB -0.301 29.456 29.700 0.094 0.000 0.748 5880 E HN 0.581 nan 8.360 nan 0.000 0.449 5881 M N 0.486 120.120 119.600 0.056 0.000 2.080 5881 M HA -0.202 4.279 4.480 0.000 0.000 0.260 5881 M C 2.170 178.495 176.300 0.041 0.000 1.068 5881 M CA 1.495 56.820 55.300 0.042 0.000 1.109 5881 M CB -0.072 32.551 32.600 0.039 0.000 1.342 5881 M HN 0.206 nan 8.290 nan 0.000 0.405 5882 L N 0.148 121.400 121.223 0.048 0.000 2.042 5882 L HA -0.252 4.088 4.340 0.000 0.000 0.210 5882 L C 2.360 179.253 176.870 0.038 0.000 1.076 5882 L CA 1.215 56.082 54.840 0.046 0.000 0.749 5882 L CB -0.727 41.359 42.059 0.045 0.000 0.893 5882 L HN 0.416 nan 8.230 nan 0.000 0.432 5883 L N -0.725 120.521 121.223 0.038 0.000 2.191 5883 L HA -0.186 4.155 4.340 0.000 0.000 0.212 5883 L C 2.685 179.560 176.870 0.008 0.000 1.103 5883 L CA 1.052 55.903 54.840 0.019 0.000 0.769 5883 L CB -0.420 41.647 42.059 0.013 0.000 0.908 5883 L HN 0.218 nan 8.230 nan 0.000 0.438 5884 R N -0.339 120.172 120.500 0.017 0.000 2.189 5884 R HA -0.000 4.340 4.340 0.000 0.000 0.218 5884 R C 0.195 176.503 176.300 0.014 0.000 1.074 5884 R CA 0.403 56.512 56.100 0.015 0.000 0.991 5884 R CB -0.074 30.239 30.300 0.021 0.000 0.883 5884 R HN 0.152 nan 8.270 nan 0.000 0.457 5885 I N 2.154 122.736 120.570 0.020 0.000 2.416 5885 I HA -0.053 4.118 4.170 0.000 0.000 0.288 5885 I C 0.592 176.721 176.117 0.021 0.000 1.051 5885 I CA 0.216 61.530 61.300 0.023 0.000 1.375 5885 I CB 1.232 39.251 38.000 0.032 0.000 1.407 5885 I HN 0.113 nan 8.210 nan 0.000 0.516 5886 D N 2.477 122.888 120.400 0.018 0.000 2.500 5886 D HA 0.145 4.785 4.640 0.000 0.000 0.217 5886 D C -0.262 176.056 176.300 0.030 0.000 1.159 5886 D CA -0.002 54.008 54.000 0.016 0.000 0.828 5886 D CB 0.313 41.113 40.800 -0.000 0.000 1.039 5886 D HN 0.341 nan 8.370 nan 0.000 0.512 5887 D N 0.146 120.568 120.400 0.036 0.000 2.738 5887 D HA 0.248 4.888 4.640 0.000 0.000 0.218 5887 D C -1.655 174.673 176.300 0.047 0.000 1.345 5887 D CA -0.523 53.504 54.000 0.044 0.000 0.943 5887 D CB 2.024 42.840 40.800 0.027 0.000 1.514 5887 D HN -0.183 nan 8.370 nan 0.000 0.585 5888 V N 5.161 125.119 119.914 0.073 0.000 2.378 5888 V HA 0.514 4.634 4.120 0.000 0.000 0.288 5888 V C 0.241 176.379 176.094 0.073 0.000 1.016 5888 V CA -0.572 61.766 62.300 0.063 0.000 0.840 5888 V CB 1.424 33.284 31.823 0.063 0.000 0.994 5888 V HN 0.498 nan 8.190 nan 0.000 0.431 5889 I N 4.579 125.171 120.570 0.036 0.000 2.390 5889 I HA 0.700 4.870 4.170 0.000 0.000 0.283 5889 I C 0.216 176.342 176.117 0.015 0.000 1.016 5889 I CA -0.401 60.915 61.300 0.026 0.000 1.151 5889 I CB 1.617 39.624 38.000 0.012 0.000 1.293 5889 I HN 0.655 nan 8.210 nan 0.000 0.458 5890 A N 5.336 128.170 122.820 0.023 0.000 2.304 5890 A HA 0.857 5.177 4.320 0.000 0.000 0.314 5890 A C 0.002 177.592 177.584 0.010 0.000 1.187 5890 A CA -0.515 51.527 52.037 0.009 0.000 0.810 5890 A CB 1.103 20.106 19.000 0.005 0.000 1.183 5890 A HN 0.752 nan 8.150 nan 0.000 0.487 5891 A N 2.047 124.868 122.820 0.002 0.000 2.351 5891 A HA 0.547 4.867 4.320 0.000 0.000 0.257 5891 A C 0.490 178.076 177.584 0.004 0.000 1.087 5891 A CA -0.097 51.941 52.037 0.002 0.000 0.798 5891 A CB 0.125 19.125 19.000 -0.000 0.000 1.033 5891 A HN 0.925 nan 8.150 nan 0.000 0.488 5892 E N 0.000 120.203 120.200 0.004 0.000 2.725 5892 E HA 0.000 4.350 4.350 0.000 0.000 0.291 5892 E CA 0.000 56.404 56.400 0.006 0.000 0.976 5892 E CB 0.000 29.703 29.700 0.006 0.000 0.812 5892 E HN 0.000 nan 8.360 nan 0.000 0.440