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 1v8g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDAVKKAILG EVLEEEEAYE VMRALMAGEV SPVRAAGLLV ALSLRGERPH DATA SEQUENCE EIAAMARAMR EAARPLRVHR RPLLDIVGTG GDGKGLMNLS TLAALVAAAG DATA SEQUENCE GVAVAKHGNR AASSRAGSAD LLEALGVDLE APPERVGEAI EELGFGFLFA DATA SEQUENCE RVFHPAMRHV APVRAELGVR TVFNLLGPLT NPAGADAYVL GVFSPEWLAP DATA SEQUENCE MAEALERLGA RGLVVHGEGA DELVLGENRV VEVGKGAYAL TPEEVGLKRA DATA SEQUENCE PLEALKGGGP EENAALARRL LKGEEKGPLA DAVALAAGAG FYAAGKTPSL DATA SEQUENCE KEGVALAREV LASGEAYLLL ERYVAFLRA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 D N 1.253 121.660 120.400 0.010 0.000 2.531 2 D HA 0.411 5.050 4.640 -0.001 0.000 0.239 2 D C 1.151 177.459 176.300 0.013 0.000 1.144 2 D CA 1.221 55.228 54.000 0.012 0.000 0.869 2 D CB 1.549 42.355 40.800 0.009 0.000 1.160 2 D HN 0.780 nan 8.370 nan 0.000 0.484 3 A N 3.311 126.141 122.820 0.017 0.000 1.883 3 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 3 A C 2.264 179.855 177.584 0.011 0.000 1.186 3 A CA 1.510 53.558 52.037 0.018 0.000 0.624 3 A CB -0.727 18.288 19.000 0.026 0.000 0.822 3 A HN 0.553 nan 8.150 nan 0.000 0.444 4 V N 0.312 120.231 119.914 0.009 0.000 2.332 4 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 4 V C 2.556 178.653 176.094 0.004 0.000 1.055 4 V CA 2.471 64.773 62.300 0.004 0.000 1.038 4 V CB -0.688 31.138 31.823 0.005 0.000 0.651 4 V HN 0.704 nan 8.190 nan 0.000 0.450 5 K N 0.406 120.809 120.400 0.006 0.000 2.057 5 K HA -0.229 4.091 4.320 -0.001 0.000 0.206 5 K C 2.301 178.905 176.600 0.006 0.000 1.050 5 K CA 1.737 58.027 56.287 0.006 0.000 0.935 5 K CB -0.167 32.337 32.500 0.006 0.000 0.715 5 K HN 0.386 nan 8.250 nan 0.000 0.439 6 K N 0.077 120.482 120.400 0.008 0.000 2.097 6 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 6 K C 1.874 178.479 176.600 0.008 0.000 1.049 6 K CA 1.201 57.493 56.287 0.009 0.000 0.933 6 K CB -0.121 32.387 32.500 0.013 0.000 0.717 6 K HN 0.235 nan 8.250 nan 0.000 0.442 7 A N 1.244 124.066 122.820 0.004 0.000 1.873 7 A HA -0.097 4.222 4.320 -0.001 0.000 0.215 7 A C 2.038 179.622 177.584 -0.000 0.000 1.186 7 A CA 1.281 53.317 52.037 -0.002 0.000 0.616 7 A CB -0.513 18.481 19.000 -0.010 0.000 0.823 7 A HN 0.326 nan 8.150 nan 0.000 0.442 8 I N -0.137 120.434 120.570 0.002 0.000 2.423 8 I HA -0.240 3.930 4.170 -0.001 0.000 0.254 8 I C 1.866 177.985 176.117 0.005 0.000 1.151 8 I CA 0.953 62.255 61.300 0.003 0.000 1.421 8 I CB -0.182 37.820 38.000 0.004 0.000 1.079 8 I HN 0.272 nan 8.210 nan 0.000 0.431 9 L N 0.257 121.483 121.223 0.005 0.000 2.552 9 L HA 0.066 4.405 4.340 -0.001 0.000 0.227 9 L C 1.606 178.480 176.870 0.007 0.000 1.146 9 L CA 0.676 55.519 54.840 0.006 0.000 0.858 9 L CB -0.484 41.579 42.059 0.007 0.000 0.969 9 L HN 0.513 nan 8.230 nan 0.000 0.451 10 G N 0.197 109.001 108.800 0.007 0.000 2.143 10 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.249 10 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.249 10 G C 0.029 174.935 174.900 0.010 0.000 0.981 10 G CA -0.193 44.912 45.100 0.008 0.000 0.665 10 G HN 0.445 nan 8.290 nan 0.000 0.528 11 E N -0.165 120.042 120.200 0.011 0.000 2.301 11 E HA 0.476 4.825 4.350 -0.001 0.000 0.275 11 E C 0.613 177.226 176.600 0.021 0.000 1.030 11 E CA -0.825 55.585 56.400 0.016 0.000 0.852 11 E CB 1.993 31.703 29.700 0.017 0.000 1.060 11 E HN 0.100 nan 8.360 nan 0.000 0.401 12 V N 4.080 124.013 119.914 0.032 0.000 2.599 12 V HA -0.031 4.088 4.120 -0.001 0.000 0.300 12 V C 0.451 176.584 176.094 0.066 0.000 1.034 12 V CA 0.234 62.563 62.300 0.047 0.000 1.115 12 V CB -0.035 31.835 31.823 0.079 0.000 0.934 12 V HN 0.495 nan 8.190 nan 0.000 0.485 13 L N 4.556 125.814 121.223 0.058 0.000 2.375 13 L HA 0.374 4.714 4.340 -0.001 0.000 0.271 13 L C 0.727 177.703 176.870 0.176 0.000 1.107 13 L CA -0.369 54.516 54.840 0.075 0.000 0.806 13 L CB 0.753 42.831 42.059 0.030 0.000 1.146 13 L HN 0.665 nan 8.230 nan 0.000 0.447 14 E N 1.224 121.502 120.200 0.131 0.000 2.390 14 E HA -0.058 4.292 4.350 -0.001 0.000 0.261 14 E C 0.578 177.283 176.600 0.176 0.000 1.076 14 E CA -0.135 56.348 56.400 0.139 0.000 0.905 14 E CB 1.022 30.757 29.700 0.059 0.000 0.984 14 E HN 0.568 nan 8.360 nan 0.000 0.427 15 E N 1.764 122.093 120.200 0.215 0.000 2.065 15 E HA -0.284 4.065 4.350 -0.001 0.000 0.201 15 E C 1.304 177.992 176.600 0.147 0.000 1.016 15 E CA 1.484 58.021 56.400 0.229 0.000 0.818 15 E CB 0.205 30.003 29.700 0.163 0.000 0.749 15 E HN 0.386 nan 8.360 nan 0.000 0.453 16 E N 0.288 120.545 120.200 0.095 0.000 2.274 16 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 16 E C 1.817 178.486 176.600 0.114 0.000 0.996 16 E CA 0.671 57.122 56.400 0.085 0.000 0.840 16 E CB -0.026 29.681 29.700 0.013 0.000 0.772 16 E HN 0.450 nan 8.360 nan 0.000 0.491 17 E N 0.458 120.712 120.200 0.090 0.000 2.150 17 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 17 E C 1.943 178.587 176.600 0.073 0.000 0.985 17 E CA 0.867 57.312 56.400 0.075 0.000 0.814 17 E CB 0.019 29.754 29.700 0.057 0.000 0.752 17 E HN 0.177 nan 8.360 nan 0.000 0.466 18 A N 0.643 123.510 122.820 0.078 0.000 1.897 18 A HA -0.192 4.127 4.320 -0.001 0.000 0.215 18 A C 1.991 179.601 177.584 0.044 0.000 1.181 18 A CA 1.096 53.152 52.037 0.031 0.000 0.620 18 A CB -0.708 18.294 19.000 0.005 0.000 0.821 18 A HN 0.369 nan 8.150 nan 0.000 0.443 19 Y N 0.851 121.145 120.300 -0.009 0.000 2.128 19 Y HA -0.243 4.307 4.550 0.000 0.000 0.284 19 Y C 2.382 178.280 175.900 -0.003 0.000 1.154 19 Y CA 2.426 60.522 58.100 -0.007 0.000 1.149 19 Y CB -0.243 38.219 38.460 0.003 0.000 0.976 19 Y HN 0.423 nan 8.280 nan 0.000 0.505 20 E N -0.091 120.255 120.200 0.242 0.000 2.077 20 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 20 E C 2.142 178.769 176.600 0.044 0.000 0.989 20 E CA 1.772 58.266 56.400 0.157 0.000 0.800 20 E CB -0.719 29.055 29.700 0.123 0.000 0.746 20 E HN 0.331 nan 8.360 nan 0.000 0.452 21 V N 0.462 120.386 119.914 0.015 0.000 2.295 21 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 21 V C 2.459 178.527 176.094 -0.042 0.000 1.049 21 V CA 2.095 64.386 62.300 -0.014 0.000 1.024 21 V CB -0.556 31.251 31.823 -0.028 0.000 0.648 21 V HN 0.375 nan 8.190 nan 0.000 0.447 22 M N -0.136 119.405 119.600 -0.097 0.000 2.229 22 M HA -0.085 4.395 4.480 -0.001 0.000 0.264 22 M C 2.157 178.391 176.300 -0.110 0.000 1.063 22 M CA 1.652 56.880 55.300 -0.121 0.000 1.114 22 M CB -0.783 31.695 32.600 -0.203 0.000 1.387 22 M HN 0.166 nan 8.290 nan 0.000 0.420 23 R N -0.292 120.111 120.500 -0.162 0.000 2.081 23 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 23 R C 1.939 178.232 176.300 -0.011 0.000 1.131 23 R CA 1.671 57.708 56.100 -0.105 0.000 0.960 23 R CB -0.494 29.784 30.300 -0.038 0.000 0.856 23 R HN 0.457 nan 8.270 nan 0.000 0.436 24 A N 1.312 124.134 122.820 0.003 0.000 1.877 24 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 24 A C 2.279 179.875 177.584 0.021 0.000 1.186 24 A CA 1.137 53.183 52.037 0.016 0.000 0.620 24 A CB -0.576 18.433 19.000 0.014 0.000 0.822 24 A HN 0.344 nan 8.150 nan 0.000 0.443 25 L N -1.021 120.221 121.223 0.031 0.000 1.989 25 L HA -0.232 4.108 4.340 -0.001 0.000 0.211 25 L C 2.812 179.742 176.870 0.099 0.000 1.071 25 L CA 1.426 56.308 54.840 0.070 0.000 0.749 25 L CB -0.421 41.715 42.059 0.127 0.000 0.890 25 L HN 0.351 nan 8.230 nan 0.000 0.431 26 M N -0.888 118.768 119.600 0.095 0.000 2.279 26 M HA -0.121 4.358 4.480 -0.001 0.000 0.264 26 M C 2.245 178.640 176.300 0.159 0.000 1.062 26 M CA 1.527 56.896 55.300 0.115 0.000 1.099 26 M CB -1.239 31.395 32.600 0.057 0.000 1.394 26 M HN 0.276 nan 8.290 nan 0.000 0.426 27 A N -0.513 122.367 122.820 0.101 0.000 2.238 27 A HA 0.373 4.693 4.320 -0.001 0.000 0.208 27 A C 1.602 179.220 177.584 0.057 0.000 1.177 27 A CA 0.858 52.951 52.037 0.093 0.000 0.804 27 A CB -0.808 18.222 19.000 0.050 0.000 0.823 27 A HN 0.632 nan 8.150 nan 0.000 0.482 28 G N -0.392 108.406 108.800 -0.002 0.000 2.198 28 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.257 28 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.257 28 G C 0.292 175.074 174.900 -0.197 0.000 1.042 28 G CA 0.637 45.533 45.100 -0.339 0.000 0.791 28 G HN 0.634 nan 8.290 nan 0.000 0.502 29 E N -1.345 118.805 120.200 -0.083 0.000 2.452 29 E HA 0.229 4.578 4.350 -0.001 0.000 0.197 29 E C 0.706 177.281 176.600 -0.042 0.000 1.022 29 E CA 0.163 56.532 56.400 -0.052 0.000 0.890 29 E CB 0.852 30.541 29.700 -0.018 0.000 0.918 29 E HN 0.378 nan 8.360 nan 0.000 0.496 30 V N 2.664 122.553 119.914 -0.041 0.000 2.370 30 V HA 0.101 4.220 4.120 -0.001 0.000 0.279 30 V C 0.313 176.388 176.094 -0.032 0.000 1.029 30 V CA -0.876 61.411 62.300 -0.022 0.000 0.870 30 V CB 1.249 33.073 31.823 0.002 0.000 0.984 30 V HN 0.168 nan 8.190 nan 0.000 0.451 31 S N 5.164 120.848 115.700 -0.026 0.000 2.568 31 S HA 0.152 4.621 4.470 -0.001 0.000 0.282 31 S C -1.690 172.902 174.600 -0.014 0.000 1.338 31 S CA -0.662 57.522 58.200 -0.026 0.000 1.045 31 S CB 0.645 63.834 63.200 -0.018 0.000 0.873 31 S HN 0.566 nan 8.310 nan 0.000 0.516 32 P HA -0.080 nan 4.420 nan 0.000 0.220 32 P C 1.307 178.609 177.300 0.004 0.000 1.144 32 P CA 0.544 63.642 63.100 -0.003 0.000 0.800 32 P CB -0.002 31.694 31.700 -0.007 0.000 0.772 33 V N -0.499 119.415 119.914 0.000 0.000 2.346 33 V HA -0.151 3.968 4.120 -0.001 0.000 0.244 33 V C 2.312 178.410 176.094 0.006 0.000 1.037 33 V CA 1.646 63.948 62.300 0.003 0.000 1.029 33 V CB -0.776 31.047 31.823 0.000 0.000 0.663 33 V HN 0.062 nan 8.190 nan 0.000 0.454 34 R N 0.006 120.508 120.500 0.005 0.000 2.189 34 R HA 0.037 4.376 4.340 -0.001 0.000 0.218 34 R C 2.300 178.608 176.300 0.014 0.000 1.074 34 R CA 1.081 57.185 56.100 0.007 0.000 0.991 34 R CB -0.362 29.940 30.300 0.003 0.000 0.883 34 R HN 0.531 nan 8.270 nan 0.000 0.457 35 A N 1.328 124.161 122.820 0.020 0.000 1.872 35 A HA -0.024 4.296 4.320 -0.001 0.000 0.214 35 A C 2.368 179.979 177.584 0.045 0.000 1.187 35 A CA 1.378 53.440 52.037 0.041 0.000 0.614 35 A CB -0.551 18.480 19.000 0.053 0.000 0.826 35 A HN 0.332 nan 8.150 nan 0.000 0.442 36 A N -0.332 122.508 122.820 0.034 0.000 1.908 36 A HA 0.069 4.389 4.320 -0.001 0.000 0.218 36 A C 2.395 179.993 177.584 0.024 0.000 1.181 36 A CA 2.073 54.128 52.037 0.031 0.000 0.627 36 A CB -1.399 17.612 19.000 0.019 0.000 0.818 36 A HN 0.721 nan 8.150 nan 0.000 0.445 37 G N 0.404 109.214 108.800 0.017 0.000 2.402 37 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.216 37 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.216 37 G C 1.494 176.400 174.900 0.011 0.000 1.162 37 G CA 1.304 46.412 45.100 0.012 0.000 0.777 37 G HN 0.875 nan 8.290 nan 0.000 0.539 38 L N -0.410 120.819 121.223 0.010 0.000 2.093 38 L HA 0.204 4.543 4.340 -0.001 0.000 0.208 38 L C 2.502 179.368 176.870 -0.006 0.000 1.085 38 L CA 1.280 56.120 54.840 -0.000 0.000 0.755 38 L CB -0.733 41.323 42.059 -0.004 0.000 0.904 38 L HN 0.126 nan 8.230 nan 0.000 0.435 39 L N -0.578 120.649 121.223 0.007 0.000 2.046 39 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 39 L C 2.596 179.471 176.870 0.007 0.000 1.077 39 L CA 0.954 55.797 54.840 0.004 0.000 0.747 39 L CB -0.611 41.482 42.059 0.056 0.000 0.896 39 L HN 0.198 nan 8.230 nan 0.000 0.432 40 V N -0.042 119.881 119.914 0.015 0.000 2.358 40 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 40 V C 2.738 178.841 176.094 0.015 0.000 1.047 40 V CA 1.671 63.981 62.300 0.017 0.000 1.035 40 V CB -0.743 31.090 31.823 0.016 0.000 0.658 40 V HN 0.460 nan 8.190 nan 0.000 0.452 41 A N -0.176 122.650 122.820 0.009 0.000 1.902 41 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 41 A C 2.217 179.806 177.584 0.008 0.000 1.181 41 A CA 1.737 53.779 52.037 0.008 0.000 0.623 41 A CB -0.498 18.504 19.000 0.004 0.000 0.818 41 A HN 0.490 nan 8.150 nan 0.000 0.443 42 L N 0.305 121.526 121.223 -0.003 0.000 2.027 42 L HA -0.175 4.165 4.340 -0.001 0.000 0.206 42 L C 3.052 179.936 176.870 0.024 0.000 1.074 42 L CA 1.727 56.562 54.840 -0.007 0.000 0.745 42 L CB -0.649 41.382 42.059 -0.047 0.000 0.898 42 L HN 0.625 nan 8.230 nan 0.000 0.433 43 S N -0.116 115.603 115.700 0.031 0.000 2.402 43 S HA -0.123 4.347 4.470 -0.001 0.000 0.229 43 S C 1.929 176.579 174.600 0.083 0.000 1.021 43 S CA 0.794 59.039 58.200 0.075 0.000 0.974 43 S CB -0.557 62.680 63.200 0.063 0.000 0.800 43 S HN 0.338 nan 8.310 nan 0.000 0.484 44 L N 1.254 122.507 121.223 0.050 0.000 2.072 44 L HA 0.005 4.345 4.340 -0.001 0.000 0.205 44 L C 2.827 179.719 176.870 0.035 0.000 1.079 44 L CA 1.528 56.392 54.840 0.041 0.000 0.752 44 L CB -0.364 41.711 42.059 0.027 0.000 0.906 44 L HN 0.431 nan 8.230 nan 0.000 0.436 45 R N 0.478 120.996 120.500 0.031 0.000 2.297 45 R HA 0.275 4.615 4.340 -0.001 0.000 0.197 45 R C 0.497 176.814 176.300 0.028 0.000 0.943 45 R CA 0.576 56.690 56.100 0.022 0.000 1.038 45 R CB -0.382 29.927 30.300 0.015 0.000 0.957 45 R HN 0.123 nan 8.270 nan 0.000 0.484 46 G N 1.107 109.942 108.800 0.058 0.000 3.402 46 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.686 46 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.686 46 G C -1.382 173.574 174.900 0.093 0.000 0.983 46 G CA -0.680 44.474 45.100 0.090 0.000 0.821 46 G HN 0.276 nan 8.290 nan 0.000 0.500 47 E N 1.348 121.651 120.200 0.173 0.000 2.338 47 E HA 0.563 4.912 4.350 -0.001 0.000 0.272 47 E C 0.827 177.476 176.600 0.081 0.000 1.029 47 E CA -0.274 56.174 56.400 0.080 0.000 0.872 47 E CB 0.623 30.341 29.700 0.030 0.000 1.015 47 E HN 0.548 nan 8.360 nan 0.000 0.417 48 R N 3.599 124.062 120.500 -0.061 0.000 2.500 48 R HA 0.248 4.588 4.340 -0.001 0.000 0.277 48 R C -1.681 174.551 176.300 -0.113 0.000 1.026 48 R CA -2.102 53.948 56.100 -0.083 0.000 1.058 48 R CB -0.076 30.128 30.300 -0.161 0.000 1.078 48 R HN 0.370 nan 8.270 nan 0.000 0.509 49 P HA -0.226 nan 4.420 nan 0.000 0.216 49 P C 0.753 178.051 177.300 -0.002 0.000 1.153 49 P CA 1.515 64.626 63.100 0.018 0.000 0.858 49 P CB -0.048 31.690 31.700 0.062 0.000 0.789 50 H N -0.380 118.698 119.070 0.013 0.000 2.456 50 H HA -0.017 4.539 4.556 -0.000 0.000 0.296 50 H C 1.349 176.683 175.328 0.009 0.000 1.079 50 H CA 1.220 57.273 56.048 0.010 0.000 1.322 50 H CB -0.679 29.089 29.762 0.009 0.000 1.388 50 H HN 0.238 nan 8.280 nan 0.000 0.538 51 E N 0.870 120.787 120.200 -0.471 0.000 2.051 51 E HA -0.000 4.349 4.350 -0.001 0.000 0.189 51 E C 2.553 179.061 176.600 -0.153 0.000 0.979 51 E CA 0.760 56.986 56.400 -0.290 0.000 0.803 51 E CB 0.163 29.655 29.700 -0.346 0.000 0.761 51 E HN 0.396 nan 8.360 nan 0.000 0.451 52 I N 1.590 122.071 120.570 -0.147 0.000 2.163 52 I HA -0.305 3.864 4.170 -0.001 0.000 0.243 52 I C 2.588 178.648 176.117 -0.096 0.000 1.085 52 I CA 1.179 62.401 61.300 -0.129 0.000 1.347 52 I CB -0.313 37.619 38.000 -0.114 0.000 1.044 52 I HN 0.089 nan 8.210 nan 0.000 0.408 53 A N 0.573 123.361 122.820 -0.053 0.000 1.902 53 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 53 A C 2.543 180.131 177.584 0.006 0.000 1.181 53 A CA 1.787 53.809 52.037 -0.024 0.000 0.623 53 A CB -0.866 18.137 19.000 0.005 0.000 0.818 53 A HN 0.434 nan 8.150 nan 0.000 0.443 54 A N -0.411 122.430 122.820 0.034 0.000 1.877 54 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 54 A C 2.268 179.868 177.584 0.026 0.000 1.186 54 A CA 1.894 53.997 52.037 0.110 0.000 0.620 54 A CB -0.572 18.511 19.000 0.138 0.000 0.822 54 A HN 0.532 nan 8.150 nan 0.000 0.443 55 M N -0.647 118.910 119.600 -0.072 0.000 2.213 55 M HA -0.129 4.351 4.480 -0.001 0.000 0.263 55 M C 2.499 178.706 176.300 -0.155 0.000 1.062 55 M CA 1.241 56.444 55.300 -0.163 0.000 1.105 55 M CB -0.427 32.051 32.600 -0.202 0.000 1.385 55 M HN 0.506 nan 8.290 nan 0.000 0.417 56 A N 0.719 123.477 122.820 -0.104 0.000 1.902 56 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 56 A C 2.174 179.729 177.584 -0.049 0.000 1.181 56 A CA 1.457 53.447 52.037 -0.079 0.000 0.623 56 A CB -0.567 18.391 19.000 -0.070 0.000 0.818 56 A HN 0.420 nan 8.150 nan 0.000 0.443 57 R N -0.532 119.965 120.500 -0.005 0.000 2.081 57 R HA -0.094 4.246 4.340 -0.001 0.000 0.235 57 R C 2.522 178.817 176.300 -0.009 0.000 1.131 57 R CA 1.201 57.342 56.100 0.067 0.000 0.960 57 R CB -0.541 29.883 30.300 0.207 0.000 0.856 57 R HN 0.514 nan 8.270 nan 0.000 0.436 58 A N 1.345 123.986 122.820 -0.298 0.000 1.883 58 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 58 A C 2.232 179.675 177.584 -0.236 0.000 1.186 58 A CA 1.598 53.247 52.037 -0.645 0.000 0.624 58 A CB -0.491 17.945 19.000 -0.941 0.000 0.822 58 A HN 0.201 nan 8.150 nan 0.000 0.444 59 M N -1.298 118.214 119.600 -0.147 0.000 2.117 59 M HA -0.173 4.306 4.480 -0.001 0.000 0.262 59 M C 2.402 178.709 176.300 0.012 0.000 1.065 59 M CA 1.626 56.895 55.300 -0.053 0.000 1.114 59 M CB -0.364 32.205 32.600 -0.052 0.000 1.361 59 M HN 0.369 nan 8.290 nan 0.000 0.408 60 R N -0.113 120.398 120.500 0.018 0.000 2.096 60 R HA -0.119 4.221 4.340 -0.001 0.000 0.235 60 R C 2.054 178.397 176.300 0.071 0.000 1.127 60 R CA 0.921 57.061 56.100 0.066 0.000 0.968 60 R CB -0.286 30.040 30.300 0.044 0.000 0.861 60 R HN 0.321 nan 8.270 nan 0.000 0.440 61 E N 0.430 120.664 120.200 0.057 0.000 2.204 61 E HA -0.105 4.245 4.350 -0.001 0.000 0.195 61 E C 1.541 178.179 176.600 0.064 0.000 0.990 61 E CA 1.136 57.580 56.400 0.072 0.000 0.821 61 E CB 0.041 29.808 29.700 0.111 0.000 0.750 61 E HN 0.327 nan 8.360 nan 0.000 0.477 62 A N 0.328 123.183 122.820 0.057 0.000 2.251 62 A HA 0.381 4.700 4.320 -0.001 0.000 0.209 62 A C 1.179 178.812 177.584 0.082 0.000 1.187 62 A CA 0.519 52.592 52.037 0.060 0.000 0.823 62 A CB 0.034 19.062 19.000 0.047 0.000 0.846 62 A HN 0.146 nan 8.150 nan 0.000 0.486 63 A N 0.364 123.255 122.820 0.118 0.000 2.287 63 A HA 0.561 4.880 4.320 -0.001 0.000 0.273 63 A C 0.323 177.944 177.584 0.061 0.000 1.091 63 A CA -0.716 51.396 52.037 0.126 0.000 0.817 63 A CB 0.246 19.350 19.000 0.173 0.000 1.069 63 A HN 0.408 nan 8.150 nan 0.000 0.492 64 R N 1.214 121.731 120.500 0.028 0.000 2.522 64 R HA 0.185 4.525 4.340 -0.001 0.000 0.284 64 R C -2.372 173.980 176.300 0.085 0.000 1.032 64 R CA -0.990 55.113 56.100 0.006 0.000 1.049 64 R CB -0.299 29.932 30.300 -0.114 0.000 0.956 64 R HN 0.537 nan 8.270 nan 0.000 0.422 65 P HA 0.152 nan 4.420 nan 0.000 0.275 65 P C -0.812 176.546 177.300 0.096 0.000 1.228 65 P CA -0.382 62.758 63.100 0.067 0.000 0.786 65 P CB 0.917 32.642 31.700 0.040 0.000 0.927 66 L N 2.224 123.497 121.223 0.084 0.000 2.614 66 L HA 0.497 4.836 4.340 -0.001 0.000 0.264 66 L C -1.027 175.853 176.870 0.017 0.000 0.940 66 L CA -0.572 54.322 54.840 0.090 0.000 0.903 66 L CB 1.912 44.077 42.059 0.178 0.000 1.306 66 L HN 0.350 nan 8.230 nan 0.000 0.410 67 R N 3.692 124.202 120.500 0.016 0.000 2.494 67 R HA 0.899 5.239 4.340 -0.001 0.000 0.305 67 R C -1.736 174.555 176.300 -0.016 0.000 0.959 67 R CA -0.621 55.458 56.100 -0.035 0.000 0.864 67 R CB 1.932 32.197 30.300 -0.059 0.000 1.159 67 R HN 0.540 nan 8.270 nan 0.000 0.446 68 V N 4.169 124.047 119.914 -0.059 0.000 2.540 68 V HA 0.228 4.348 4.120 -0.001 0.000 0.302 68 V C -0.018 176.043 176.094 -0.054 0.000 1.035 68 V CA -0.635 61.663 62.300 -0.002 0.000 0.873 68 V CB 1.694 33.499 31.823 -0.029 0.000 0.992 68 V HN 0.906 nan 8.190 nan 0.000 0.428 69 H N 1.958 121.023 119.070 -0.009 0.000 2.448 69 H HA 0.208 4.764 4.556 -0.001 0.000 0.292 69 H C 0.925 176.247 175.328 -0.011 0.000 1.035 69 H CA 0.502 56.546 56.048 -0.006 0.000 1.349 69 H CB 0.176 29.938 29.762 0.001 0.000 1.425 69 H HN 0.413 nan 8.280 nan 0.000 0.539 70 R N 2.076 122.636 120.500 0.099 0.000 2.502 70 R HA 0.141 4.480 4.340 -0.001 0.000 0.292 70 R C -0.201 176.104 176.300 0.008 0.000 0.998 70 R CA 0.296 56.423 56.100 0.045 0.000 1.056 70 R CB 0.436 30.751 30.300 0.026 0.000 0.939 70 R HN 0.094 nan 8.270 nan 0.000 0.411 71 R N 2.834 123.339 120.500 0.008 0.000 2.725 71 R HA 0.406 4.746 4.340 -0.001 0.000 0.277 71 R C -2.205 174.094 176.300 -0.002 0.000 0.987 71 R CA -1.916 54.179 56.100 -0.008 0.000 0.901 71 R CB 1.459 31.754 30.300 -0.008 0.000 1.207 71 R HN 0.581 nan 8.270 nan 0.000 0.463 72 P HA 0.271 nan 4.420 nan 0.000 0.274 72 P C -0.897 176.374 177.300 -0.047 0.000 1.237 72 P CA -0.608 62.475 63.100 -0.028 0.000 0.793 72 P CB 0.882 32.566 31.700 -0.026 0.000 0.977 73 L N 2.429 123.602 121.223 -0.082 0.000 2.342 73 L HA 0.377 4.717 4.340 -0.001 0.000 0.276 73 L C -0.843 175.906 176.870 -0.201 0.000 0.997 73 L CA -0.962 53.805 54.840 -0.121 0.000 0.838 73 L CB 0.898 42.883 42.059 -0.123 0.000 1.224 73 L HN 0.291 nan 8.230 nan 0.000 0.416 74 L N 4.665 125.774 121.223 -0.190 0.000 2.334 74 L HA 0.643 4.982 4.340 -0.001 0.000 0.277 74 L C -0.969 175.727 176.870 -0.290 0.000 1.075 74 L CA 0.383 55.073 54.840 -0.250 0.000 0.804 74 L CB 1.293 43.259 42.059 -0.155 0.000 1.174 74 L HN 0.689 nan 8.230 nan 0.000 0.438 75 D N 4.167 124.326 120.400 -0.401 0.000 2.896 75 D HA 0.416 5.056 4.640 -0.001 0.000 0.241 75 D C -1.268 174.953 176.300 -0.132 0.000 1.188 75 D CA -0.141 53.691 54.000 -0.279 0.000 0.879 75 D CB 1.433 42.020 40.800 -0.355 0.000 1.553 75 D HN 0.494 nan 8.370 nan 0.000 0.515 76 I N 3.696 124.256 120.570 -0.016 0.000 2.382 76 I HA 0.462 4.632 4.170 -0.001 0.000 0.285 76 I C -0.479 175.691 176.117 0.088 0.000 1.007 76 I CA -0.895 60.429 61.300 0.041 0.000 1.142 76 I CB 1.665 39.679 38.000 0.023 0.000 1.289 76 I HN 0.101 nan 8.210 nan 0.000 0.453 77 V N 5.175 125.161 119.914 0.120 0.000 3.216 77 V HA 0.932 5.051 4.120 -0.001 0.000 0.302 77 V C -0.752 175.402 176.094 0.100 0.000 1.286 77 V CA -0.204 62.166 62.300 0.117 0.000 1.048 77 V CB 2.470 34.380 31.823 0.146 0.000 1.081 77 V HN 0.742 nan 8.190 nan 0.000 0.442 78 G N 0.363 109.209 108.800 0.077 0.000 2.642 78 G HA2 0.494 4.453 3.960 -0.001 0.000 0.293 78 G HA3 0.494 4.453 3.960 -0.001 0.000 0.293 78 G C 0.606 175.541 174.900 0.058 0.000 1.341 78 G CA 0.323 45.466 45.100 0.072 0.000 0.916 78 G HN 1.314 nan 8.290 nan 0.000 0.474 79 T N -2.070 112.529 114.554 0.075 0.000 2.962 79 T HA 0.358 4.708 4.350 -0.001 0.000 0.270 79 T C 1.646 176.411 174.700 0.108 0.000 1.088 79 T CA 1.367 63.520 62.100 0.088 0.000 1.127 79 T CB -0.571 68.393 68.868 0.160 0.000 0.883 79 T HN 2.433 nan 8.240 nan 0.000 0.493 80 G N 0.925 109.796 108.800 0.118 0.000 2.593 80 G HA2 0.253 4.213 3.960 -0.001 0.000 0.237 80 G HA3 0.253 4.213 3.960 -0.001 0.000 0.237 80 G C 0.550 175.507 174.900 0.096 0.000 1.312 80 G CA 0.061 45.214 45.100 0.088 0.000 0.896 80 G HN 1.729 nan 8.290 nan 0.000 0.574 81 G N -0.375 108.439 108.800 0.024 0.000 2.386 81 G HA2 0.084 4.044 3.960 -0.001 0.000 0.295 81 G HA3 0.084 4.044 3.960 -0.001 0.000 0.295 81 G C 0.648 175.535 174.900 -0.022 0.000 0.979 81 G CA 1.506 46.578 45.100 -0.048 0.000 1.193 81 G HN 2.082 nan 8.290 nan 0.000 0.508 82 D N -0.577 119.854 120.400 0.052 0.000 2.500 82 D HA 0.284 4.924 4.640 -0.001 0.000 0.218 82 D C 1.265 177.600 176.300 0.059 0.000 1.140 82 D CA 0.580 54.639 54.000 0.099 0.000 0.830 82 D CB -0.334 40.560 40.800 0.157 0.000 1.055 82 D HN 1.532 nan 8.370 nan 0.000 0.512 83 G N 1.716 110.535 108.800 0.031 0.000 2.342 83 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.267 83 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.267 83 G C 0.365 175.283 174.900 0.029 0.000 0.922 83 G CA 0.617 45.731 45.100 0.022 0.000 1.342 83 G HN 0.429 nan 8.290 nan 0.000 0.430 84 K N -0.078 120.339 120.400 0.028 0.000 2.600 84 K HA 0.290 4.610 4.320 -0.001 0.000 0.210 84 K C 1.452 178.065 176.600 0.020 0.000 1.650 84 K CA 0.016 56.318 56.287 0.025 0.000 1.024 84 K CB 0.756 33.273 32.500 0.029 0.000 1.370 84 K HN 1.688 nan 8.250 nan 0.000 0.619 85 G N 3.387 112.200 108.800 0.022 0.000 2.386 85 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.295 85 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.295 85 G C -0.043 174.866 174.900 0.016 0.000 0.979 85 G CA 0.437 45.549 45.100 0.019 0.000 1.193 85 G HN 0.097 nan 8.290 nan 0.000 0.508 86 L N -0.327 120.907 121.223 0.019 0.000 2.439 86 L HA 0.601 4.941 4.340 -0.001 0.000 0.259 86 L C 1.237 178.116 176.870 0.014 0.000 1.129 86 L CA -1.357 53.491 54.840 0.015 0.000 0.803 86 L CB 0.757 42.825 42.059 0.015 0.000 1.161 86 L HN 0.443 nan 8.230 nan 0.000 0.462 87 M N 1.686 121.292 119.600 0.009 0.000 2.245 87 M HA -0.041 4.438 4.480 -0.001 0.000 0.312 87 M C -0.050 176.257 176.300 0.011 0.000 1.070 87 M CA 0.375 55.679 55.300 0.006 0.000 1.162 87 M CB -0.039 32.561 32.600 0.001 0.000 1.448 87 M HN 0.373 nan 8.290 nan 0.000 0.446 88 N N 4.095 122.800 118.700 0.009 0.000 2.971 88 N HA 0.169 4.908 4.740 -0.001 0.000 0.294 88 N C 0.333 175.852 175.510 0.015 0.000 1.210 88 N CA -0.010 53.050 53.050 0.016 0.000 1.157 88 N CB -0.448 38.044 38.487 0.008 0.000 1.450 88 N HN 0.613 nan 8.380 nan 0.000 0.527 89 L N -0.116 121.118 121.223 0.018 0.000 2.131 89 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 89 L C 2.319 179.201 176.870 0.019 0.000 1.092 89 L CA 1.007 55.856 54.840 0.014 0.000 0.759 89 L CB -0.456 41.611 42.059 0.013 0.000 0.903 89 L HN 0.537 nan 8.230 nan 0.000 0.435 90 S N -1.652 114.070 115.700 0.036 0.000 2.402 90 S HA -0.146 4.323 4.470 -0.001 0.000 0.229 90 S C 1.912 176.549 174.600 0.062 0.000 1.021 90 S CA 1.451 59.680 58.200 0.048 0.000 0.974 90 S CB -0.587 62.654 63.200 0.069 0.000 0.800 90 S HN 0.326 nan 8.310 nan 0.000 0.484 91 T N 2.950 117.543 114.554 0.066 0.000 2.857 91 T HA 0.187 4.537 4.350 -0.001 0.000 0.266 91 T C 1.694 176.405 174.700 0.018 0.000 1.048 91 T CA 1.278 63.425 62.100 0.079 0.000 1.139 91 T CB -0.424 68.465 68.868 0.034 0.000 0.874 91 T HN 0.331 nan 8.240 nan 0.000 0.455 92 L N 0.767 121.984 121.223 -0.010 0.000 2.072 92 L HA 0.021 4.361 4.340 -0.001 0.000 0.205 92 L C 3.074 179.917 176.870 -0.045 0.000 1.079 92 L CA 1.109 55.925 54.840 -0.040 0.000 0.752 92 L CB -0.722 41.322 42.059 -0.025 0.000 0.906 92 L HN 0.216 nan 8.230 nan 0.000 0.436 93 A N 0.236 123.041 122.820 -0.027 0.000 1.972 93 A HA -0.113 4.207 4.320 -0.001 0.000 0.219 93 A C 2.535 180.075 177.584 -0.074 0.000 1.169 93 A CA 1.613 53.619 52.037 -0.051 0.000 0.635 93 A CB -0.550 18.428 19.000 -0.036 0.000 0.810 93 A HN 0.393 nan 8.150 nan 0.000 0.446 94 A N -0.299 122.518 122.820 -0.006 0.000 1.898 94 A HA 0.011 4.331 4.320 -0.001 0.000 0.216 94 A C 2.139 179.750 177.584 0.045 0.000 1.181 94 A CA 1.379 53.454 52.037 0.063 0.000 0.620 94 A CB -0.528 18.606 19.000 0.223 0.000 0.819 94 A HN 0.458 nan 8.150 nan 0.000 0.442 95 L N -0.567 120.588 121.223 -0.112 0.000 2.093 95 L HA -0.139 4.201 4.340 -0.001 0.000 0.208 95 L C 2.497 179.266 176.870 -0.169 0.000 1.085 95 L CA 0.843 55.470 54.840 -0.355 0.000 0.755 95 L CB -0.399 41.385 42.059 -0.458 0.000 0.904 95 L HN 0.245 nan 8.230 nan 0.000 0.435 96 V N -0.055 119.795 119.914 -0.106 0.000 2.343 96 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 96 V C 2.727 178.795 176.094 -0.043 0.000 1.051 96 V CA 1.763 64.037 62.300 -0.043 0.000 1.036 96 V CB -0.817 30.988 31.823 -0.029 0.000 0.654 96 V HN 0.481 nan 8.190 nan 0.000 0.451 97 A N 0.013 122.694 122.820 -0.231 0.000 1.902 97 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 97 A C 2.411 179.984 177.584 -0.020 0.000 1.181 97 A CA 2.110 53.874 52.037 -0.455 0.000 0.623 97 A CB -0.743 17.958 19.000 -0.498 0.000 0.818 97 A HN 0.568 nan 8.150 nan 0.000 0.443 98 A N -0.266 122.569 122.820 0.025 0.000 1.930 98 A HA 0.226 4.545 4.320 -0.001 0.000 0.217 98 A C 2.420 180.059 177.584 0.091 0.000 1.175 98 A CA 1.801 53.895 52.037 0.095 0.000 0.627 98 A CB -0.888 18.213 19.000 0.168 0.000 0.815 98 A HN 1.079 nan 8.150 nan 0.000 0.443 99 A N -0.676 122.181 122.820 0.062 0.000 2.121 99 A HA 0.204 4.524 4.320 -0.001 0.000 0.218 99 A C 2.063 179.727 177.584 0.133 0.000 1.154 99 A CA 1.488 53.566 52.037 0.069 0.000 0.679 99 A CB -0.854 18.171 19.000 0.042 0.000 0.795 99 A HN 0.726 nan 8.150 nan 0.000 0.458 100 G N -2.161 106.794 108.800 0.259 0.000 2.985 100 G HA2 0.374 4.333 3.960 -0.001 0.000 0.209 100 G HA3 0.374 4.333 3.960 -0.001 0.000 0.209 100 G C 1.051 176.072 174.900 0.203 0.000 1.165 100 G CA 0.486 45.767 45.100 0.301 0.000 0.776 100 G HN 1.563 nan 8.290 nan 0.000 0.541 101 G N -1.375 107.530 108.800 0.175 0.000 2.179 101 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.220 101 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.220 101 G C 0.109 175.084 174.900 0.125 0.000 0.990 101 G CA 0.020 45.189 45.100 0.115 0.000 0.646 101 G HN 0.625 nan 8.290 nan 0.000 0.517 102 V N 1.712 121.732 119.914 0.178 0.000 2.432 102 V HA 0.708 4.828 4.120 -0.001 0.000 0.275 102 V C 1.060 177.192 176.094 0.063 0.000 1.043 102 V CA -0.231 62.143 62.300 0.123 0.000 0.925 102 V CB 1.367 33.278 31.823 0.145 0.000 0.985 102 V HN 1.129 nan 8.190 nan 0.000 0.466 103 A N 5.469 128.306 122.820 0.028 0.000 2.524 103 A HA 0.487 4.807 4.320 -0.001 0.000 0.250 103 A C -0.249 177.312 177.584 -0.038 0.000 1.078 103 A CA 0.082 52.118 52.037 -0.001 0.000 0.761 103 A CB 0.017 19.007 19.000 -0.017 0.000 1.012 103 A HN 0.694 nan 8.150 nan 0.000 0.500 104 V N 1.916 121.801 119.914 -0.048 0.000 2.540 104 V HA 0.679 4.799 4.120 -0.001 0.000 0.302 104 V C 0.276 176.197 176.094 -0.289 0.000 1.035 104 V CA 0.041 62.274 62.300 -0.113 0.000 0.873 104 V CB 1.780 33.628 31.823 0.042 0.000 0.992 104 V HN 1.225 nan 8.190 nan 0.000 0.428 105 A N 4.269 126.912 122.820 -0.295 0.000 2.763 105 A HA 0.512 4.831 4.320 -0.001 0.000 0.325 105 A C -0.264 177.139 177.584 -0.302 0.000 1.209 105 A CA -0.547 51.277 52.037 -0.354 0.000 0.764 105 A CB 0.461 19.288 19.000 -0.289 0.000 1.120 105 A HN 0.536 nan 8.150 nan 0.000 0.463 106 K N 2.185 122.402 120.400 -0.304 0.000 2.312 106 K HA 0.132 4.452 4.320 -0.001 0.000 0.287 106 K C -0.790 175.758 176.600 -0.088 0.000 1.062 106 K CA -0.060 56.176 56.287 -0.085 0.000 0.934 106 K CB 0.048 32.610 32.500 0.104 0.000 1.027 106 K HN 0.883 nan 8.250 nan 0.000 0.478 107 H N 2.002 120.978 119.070 -0.157 0.000 2.548 107 H HA 0.464 5.021 4.556 0.001 0.000 0.331 107 H C -0.117 175.164 175.328 -0.079 0.000 1.093 107 H CA -0.376 55.546 56.048 -0.210 0.000 1.367 107 H CB 1.039 30.744 29.762 -0.094 0.000 1.455 107 H HN 0.859 nan 8.280 nan 0.000 0.519 108 G N 3.406 112.139 108.800 -0.112 0.000 2.548 108 G HA2 0.138 4.097 3.960 -0.001 0.000 0.301 108 G HA3 0.138 4.097 3.960 -0.001 0.000 0.301 108 G C -1.788 173.279 174.900 0.279 0.000 1.349 108 G CA -0.671 44.508 45.100 0.131 0.000 0.792 108 G HN 0.643 nan 8.290 nan 0.000 0.481 109 N N -1.138 117.804 118.700 0.402 0.000 3.039 109 N HA 0.389 5.129 4.740 -0.001 0.000 0.257 109 N C -0.734 175.028 175.510 0.420 0.000 1.497 109 N CA -0.695 52.638 53.050 0.471 0.000 0.861 109 N CB 2.133 40.728 38.487 0.180 0.000 1.479 109 N HN 0.545 nan 8.380 nan 0.000 0.547 110 R N 0.158 120.913 120.500 0.425 0.000 2.615 110 R HA 0.548 4.887 4.340 -0.001 0.000 0.270 110 R C -0.242 176.149 176.300 0.152 0.000 1.081 110 R CA -0.437 55.811 56.100 0.245 0.000 1.154 110 R CB 0.509 30.950 30.300 0.236 0.000 1.063 110 R HN 0.518 nan 8.270 nan 0.000 0.519 111 A N 1.352 124.232 122.820 0.099 0.000 2.279 111 A HA 0.419 4.738 4.320 -0.001 0.000 0.306 111 A C 0.761 178.377 177.584 0.053 0.000 1.300 111 A CA -0.205 51.872 52.037 0.067 0.000 0.925 111 A CB 0.893 19.924 19.000 0.050 0.000 1.152 111 A HN 0.906 nan 8.150 nan 0.000 0.544 112 A N 2.301 125.146 122.820 0.043 0.000 1.935 112 A HA 0.049 4.369 4.320 -0.001 0.000 0.214 112 A C 2.341 179.936 177.584 0.019 0.000 1.178 112 A CA 1.600 53.655 52.037 0.030 0.000 0.640 112 A CB -0.745 18.266 19.000 0.019 0.000 0.825 112 A HN 1.041 nan 8.150 nan 0.000 0.447 113 S N -1.052 114.657 115.700 0.015 0.000 2.409 113 S HA -0.196 4.273 4.470 -0.001 0.000 0.237 113 S C 1.626 176.232 174.600 0.011 0.000 1.060 113 S CA 2.535 60.740 58.200 0.009 0.000 1.052 113 S CB -0.106 63.099 63.200 0.009 0.000 0.871 113 S HN 0.640 nan 8.310 nan 0.000 0.465 114 S N -1.922 113.788 115.700 0.016 0.000 5.433 114 S HA 0.399 4.869 4.470 -0.001 0.000 0.146 114 S C 0.009 174.620 174.600 0.019 0.000 1.105 114 S CA -0.507 57.702 58.200 0.015 0.000 1.385 114 S CB 0.447 63.655 63.200 0.012 0.000 1.966 114 S HN 0.321 nan 8.310 nan 0.000 0.575 115 R N -0.408 120.105 120.500 0.021 0.000 3.084 115 R HA 0.498 4.838 4.340 -0.001 0.000 0.280 115 R C -1.594 174.719 176.300 0.021 0.000 0.935 115 R CA 0.422 56.536 56.100 0.023 0.000 0.815 115 R CB 0.200 30.509 30.300 0.016 0.000 1.457 115 R HN 1.092 nan 8.270 nan 0.000 0.499 116 A N -0.142 122.688 122.820 0.017 0.000 2.876 116 A HA -0.094 4.226 4.320 -0.001 0.000 0.287 116 A C 0.435 178.031 177.584 0.020 0.000 1.455 116 A CA 1.436 53.480 52.037 0.011 0.000 0.744 116 A CB -2.095 16.910 19.000 0.009 0.000 1.041 116 A HN 1.094 nan 8.150 nan 0.000 0.500 117 G N -0.535 108.284 108.800 0.032 0.000 2.547 117 G HA2 0.593 4.552 3.960 -0.001 0.000 0.291 117 G HA3 0.593 4.552 3.960 -0.001 0.000 0.291 117 G C 1.253 176.176 174.900 0.037 0.000 1.211 117 G CA 0.517 45.651 45.100 0.057 0.000 0.950 117 G HN 1.675 nan 8.290 nan 0.000 0.504 118 S N -0.538 115.207 115.700 0.075 0.000 2.383 118 S HA -0.113 4.356 4.470 -0.001 0.000 0.229 118 S C 2.488 176.990 174.600 -0.165 0.000 1.030 118 S CA 1.726 59.937 58.200 0.019 0.000 1.002 118 S CB -0.503 62.805 63.200 0.179 0.000 0.829 118 S HN 0.994 nan 8.310 nan 0.000 0.467 119 A N 2.262 125.087 122.820 0.009 0.000 1.930 119 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 119 A C 2.007 179.471 177.584 -0.200 0.000 1.175 119 A CA 1.496 53.451 52.037 -0.137 0.000 0.627 119 A CB -0.767 18.335 19.000 0.171 0.000 0.815 119 A HN 0.535 nan 8.150 nan 0.000 0.443 120 D N -0.257 120.096 120.400 -0.079 0.000 2.097 120 D HA -0.142 4.497 4.640 -0.001 0.000 0.195 120 D C 1.909 178.155 176.300 -0.090 0.000 0.989 120 D CA 1.471 55.432 54.000 -0.066 0.000 0.827 120 D CB -0.414 40.378 40.800 -0.014 0.000 0.966 120 D HN 0.360 nan 8.370 nan 0.000 0.456 121 L N 1.048 122.213 121.223 -0.096 0.000 1.989 121 L HA -0.149 4.190 4.340 -0.001 0.000 0.211 121 L C 2.324 179.121 176.870 -0.121 0.000 1.071 121 L CA 1.498 56.284 54.840 -0.091 0.000 0.749 121 L CB -0.772 41.238 42.059 -0.082 0.000 0.890 121 L HN -0.013 nan 8.230 nan 0.000 0.431 122 L N -0.514 120.580 121.223 -0.214 0.000 2.079 122 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 122 L C 2.604 179.395 176.870 -0.132 0.000 1.081 122 L CA 1.684 56.399 54.840 -0.210 0.000 0.752 122 L CB -0.633 41.174 42.059 -0.421 0.000 0.896 122 L HN 0.489 nan 8.230 nan 0.000 0.433 123 E N 0.412 120.520 120.200 -0.154 0.000 2.051 123 E HA -0.264 4.086 4.350 -0.001 0.000 0.192 123 E C 2.257 178.821 176.600 -0.059 0.000 0.991 123 E CA 1.277 57.614 56.400 -0.104 0.000 0.799 123 E CB -0.047 29.580 29.700 -0.121 0.000 0.748 123 E HN 0.444 nan 8.360 nan 0.000 0.449 124 A N 1.035 123.823 122.820 -0.054 0.000 1.940 124 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 124 A C 2.125 179.700 177.584 -0.015 0.000 1.176 124 A CA 1.246 53.265 52.037 -0.029 0.000 0.631 124 A CB -0.689 18.295 19.000 -0.026 0.000 0.814 124 A HN 0.354 nan 8.150 nan 0.000 0.446 125 L N -1.246 119.967 121.223 -0.018 0.000 2.622 125 L HA 0.112 4.452 4.340 -0.001 0.000 0.233 125 L C 1.696 178.572 176.870 0.010 0.000 1.156 125 L CA 0.563 55.407 54.840 0.006 0.000 0.866 125 L CB -0.370 41.692 42.059 0.005 0.000 0.980 125 L HN 0.642 nan 8.230 nan 0.000 0.448 126 G N -0.098 108.701 108.800 -0.001 0.000 2.179 126 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.220 126 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.220 126 G C 0.366 175.270 174.900 0.006 0.000 0.990 126 G CA 0.019 45.119 45.100 0.001 0.000 0.646 126 G HN 0.220 nan 8.290 nan 0.000 0.517 127 V N -0.611 119.316 119.914 0.022 0.000 2.572 127 V HA 0.591 4.710 4.120 -0.001 0.000 0.291 127 V C 0.283 176.386 176.094 0.014 0.000 1.039 127 V CA -0.158 62.175 62.300 0.055 0.000 1.055 127 V CB 1.762 33.675 31.823 0.150 0.000 0.969 127 V HN 0.212 nan 8.190 nan 0.000 0.482 128 D N 4.187 124.593 120.400 0.009 0.000 2.422 128 D HA 0.232 4.871 4.640 -0.001 0.000 0.227 128 D C 1.067 177.386 176.300 0.032 0.000 1.190 128 D CA -0.063 53.939 54.000 0.003 0.000 0.905 128 D CB 0.655 41.450 40.800 -0.009 0.000 1.034 128 D HN 0.683 nan 8.370 nan 0.000 0.507 129 L N 2.378 123.598 121.223 -0.006 0.000 2.263 129 L HA -0.135 4.204 4.340 -0.001 0.000 0.216 129 L C 1.609 178.548 176.870 0.114 0.000 1.111 129 L CA 0.864 55.693 54.840 -0.019 0.000 0.773 129 L CB -0.094 41.769 42.059 -0.326 0.000 0.906 129 L HN 0.332 nan 8.230 nan 0.000 0.439 130 E N 0.388 120.635 120.200 0.078 0.000 2.489 130 E HA 0.143 4.492 4.350 -0.001 0.000 0.193 130 E C 0.872 177.501 176.600 0.049 0.000 1.057 130 E CA 0.129 56.578 56.400 0.081 0.000 0.866 130 E CB -0.042 29.688 29.700 0.049 0.000 0.916 130 E HN 0.310 nan 8.360 nan 0.000 0.500 131 A N 4.036 126.889 122.820 0.055 0.000 2.566 131 A HA 0.120 4.440 4.320 -0.001 0.000 0.245 131 A C -1.870 175.724 177.584 0.017 0.000 1.056 131 A CA -0.825 51.231 52.037 0.033 0.000 0.757 131 A CB -0.388 18.641 19.000 0.048 0.000 0.979 131 A HN -0.060 nan 8.150 nan 0.000 0.508 132 P HA 0.028 nan 4.420 nan 0.000 0.268 132 P C -1.971 175.291 177.300 -0.064 0.000 1.208 132 P CA -1.037 62.026 63.100 -0.062 0.000 0.777 132 P CB 0.172 31.844 31.700 -0.046 0.000 0.875 133 P HA -0.199 nan 4.420 nan 0.000 0.215 133 P C 1.417 178.762 177.300 0.075 0.000 1.153 133 P CA 1.778 64.786 63.100 -0.154 0.000 0.853 133 P CB -0.107 31.300 31.700 -0.488 0.000 0.788 134 E N 0.171 120.390 120.200 0.031 0.000 2.209 134 E HA -0.236 4.113 4.350 -0.001 0.000 0.196 134 E C 2.265 178.926 176.600 0.101 0.000 0.993 134 E CA 0.820 57.261 56.400 0.068 0.000 0.819 134 E CB -0.483 29.239 29.700 0.037 0.000 0.745 134 E HN -0.003 nan 8.360 nan 0.000 0.477 135 R N 1.210 121.766 120.500 0.093 0.000 2.073 135 R HA -0.014 4.325 4.340 -0.001 0.000 0.229 135 R C 2.167 178.601 176.300 0.224 0.000 1.120 135 R CA 1.306 57.487 56.100 0.135 0.000 0.967 135 R CB -0.750 29.592 30.300 0.069 0.000 0.862 135 R HN 0.179 nan 8.270 nan 0.000 0.436 136 V N 0.148 120.186 119.914 0.208 0.000 2.490 136 V HA -0.095 4.024 4.120 -0.001 0.000 0.250 136 V C 2.173 178.387 176.094 0.201 0.000 1.061 136 V CA 1.972 64.425 62.300 0.255 0.000 1.064 136 V CB -0.878 31.137 31.823 0.320 0.000 0.670 136 V HN 0.610 nan 8.190 nan 0.000 0.461 137 G N -0.583 108.322 108.800 0.174 0.000 2.422 137 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.218 137 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.218 137 G C 1.438 176.405 174.900 0.111 0.000 1.140 137 G CA 0.599 45.770 45.100 0.118 0.000 0.775 137 G HN 0.573 nan 8.290 nan 0.000 0.545 138 E N 0.588 120.887 120.200 0.166 0.000 2.072 138 E HA 0.008 4.358 4.350 -0.001 0.000 0.191 138 E C 2.927 179.548 176.600 0.035 0.000 0.985 138 E CA 0.680 57.195 56.400 0.192 0.000 0.801 138 E CB -0.145 29.770 29.700 0.359 0.000 0.750 138 E HN 0.395 nan 8.360 nan 0.000 0.452 139 A N 1.520 124.316 122.820 -0.039 0.000 1.877 139 A HA -0.182 4.138 4.320 -0.001 0.000 0.216 139 A C 2.213 179.697 177.584 -0.167 0.000 1.186 139 A CA 1.113 52.875 52.037 -0.460 0.000 0.620 139 A CB -0.677 18.266 19.000 -0.095 0.000 0.822 139 A HN 0.129 nan 8.150 nan 0.000 0.443 140 I N -0.299 120.256 120.570 -0.025 0.000 2.151 140 I HA -0.295 3.875 4.170 -0.001 0.000 0.243 140 I C 2.303 178.399 176.117 -0.034 0.000 1.080 140 I CA 1.888 63.165 61.300 -0.038 0.000 1.339 140 I CB -0.431 37.538 38.000 -0.050 0.000 1.039 140 I HN 0.441 nan 8.210 nan 0.000 0.409 141 E N -0.110 120.078 120.200 -0.020 0.000 2.435 141 E HA -0.107 4.242 4.350 -0.001 0.000 0.195 141 E C 1.752 178.337 176.600 -0.024 0.000 1.029 141 E CA 0.412 56.810 56.400 -0.003 0.000 0.865 141 E CB 0.220 29.939 29.700 0.031 0.000 0.833 141 E HN 0.438 nan 8.360 nan 0.000 0.510 142 E N -0.043 120.107 120.200 -0.084 0.000 2.256 142 E HA 0.092 4.442 4.350 -0.001 0.000 0.198 142 E C 1.800 178.333 176.600 -0.112 0.000 0.908 142 E CA 0.448 56.788 56.400 -0.100 0.000 0.915 142 E CB 0.428 30.037 29.700 -0.153 0.000 0.890 142 E HN 0.218 nan 8.360 nan 0.000 0.484 143 L N -0.483 120.643 121.223 -0.162 0.000 2.640 143 L HA 0.305 4.645 4.340 -0.001 0.000 0.230 143 L C 1.275 178.155 176.870 0.017 0.000 1.123 143 L CA 0.451 55.249 54.840 -0.070 0.000 0.900 143 L CB 0.307 42.321 42.059 -0.076 0.000 1.146 143 L HN 0.230 nan 8.230 nan 0.000 0.484 144 G N 0.982 109.788 108.800 0.009 0.000 2.184 144 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.264 144 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.264 144 G C -0.025 174.929 174.900 0.089 0.000 0.975 144 G CA 0.444 45.569 45.100 0.041 0.000 0.642 144 G HN 0.295 nan 8.290 nan 0.000 0.536 145 F N 0.390 120.292 119.950 -0.079 0.000 2.603 145 F HA 0.705 5.231 4.527 -0.002 0.000 0.317 145 F C 0.163 175.869 175.800 -0.157 0.000 1.066 145 F CA 0.141 58.055 58.000 -0.144 0.000 0.941 145 F CB 2.119 40.989 39.000 -0.218 0.000 1.291 145 F HN 0.605 nan 8.300 nan 0.000 0.472 146 G N 3.122 111.051 108.800 -1.451 0.000 2.733 146 G HA2 0.425 4.385 3.960 -0.001 0.000 0.297 146 G HA3 0.425 4.385 3.960 -0.001 0.000 0.297 146 G C -2.595 171.782 174.900 -0.872 0.000 1.452 146 G CA -0.712 43.900 45.100 -0.815 0.000 0.940 146 G HN 0.701 nan 8.290 nan 0.000 0.547 147 F N 2.670 122.379 119.950 -0.402 0.000 2.426 147 F HA 0.680 5.206 4.527 -0.002 0.000 0.348 147 F C -0.277 175.580 175.800 0.095 0.000 1.124 147 F CA -1.110 56.811 58.000 -0.133 0.000 1.008 147 F CB 1.220 40.270 39.000 0.084 0.000 1.139 147 F HN 0.267 nan 8.300 nan 0.000 0.452 148 L N 7.865 128.718 121.223 -0.616 0.000 2.270 148 L HA 0.234 4.573 4.340 -0.001 0.000 0.286 148 L C -0.643 176.000 176.870 -0.379 0.000 1.059 148 L CA -0.694 53.891 54.840 -0.425 0.000 0.839 148 L CB 0.210 41.820 42.059 -0.748 0.000 1.221 148 L HN 0.539 nan 8.230 nan 0.000 0.431 149 F N 3.042 122.890 119.950 -0.169 0.000 2.494 149 F HA 0.245 4.770 4.527 -0.003 0.000 0.369 149 F C 1.323 177.233 175.800 0.183 0.000 1.098 149 F CA -0.605 57.394 58.000 -0.001 0.000 1.154 149 F CB 0.969 40.110 39.000 0.235 0.000 1.103 149 F HN 0.599 nan 8.300 nan 0.000 0.549 150 A N 7.035 129.868 122.820 0.022 0.000 1.915 150 A HA -0.281 4.038 4.320 -0.001 0.000 0.220 150 A C 2.535 180.008 177.584 -0.186 0.000 1.198 150 A CA 2.116 54.202 52.037 0.081 0.000 0.647 150 A CB -0.783 18.267 19.000 0.083 0.000 0.825 150 A HN 0.866 nan 8.150 nan 0.000 0.456 151 R N -0.574 119.492 120.500 -0.723 0.000 2.117 151 R HA -0.136 4.204 4.340 -0.001 0.000 0.243 151 R C 1.833 177.915 176.300 -0.363 0.000 1.143 151 R CA 2.037 57.769 56.100 -0.615 0.000 0.968 151 R CB -0.408 29.313 30.300 -0.965 0.000 0.863 151 R HN 0.353 nan 8.270 nan 0.000 0.444 152 V N 0.006 119.720 119.914 -0.333 0.000 2.488 152 V HA -0.128 3.992 4.120 -0.001 0.000 0.246 152 V C 1.702 177.572 176.094 -0.373 0.000 1.046 152 V CA 1.479 63.639 62.300 -0.233 0.000 1.053 152 V CB -0.407 31.332 31.823 -0.139 0.000 0.679 152 V HN 0.235 nan 8.190 nan 0.000 0.458 153 F N -1.356 118.425 119.950 -0.282 0.000 2.569 153 F HA 0.150 4.675 4.527 -0.002 0.000 0.295 153 F C 1.286 176.787 175.800 -0.498 0.000 1.115 153 F CA 0.586 58.331 58.000 -0.425 0.000 1.450 153 F CB 0.091 38.718 39.000 -0.622 0.000 1.107 153 F HN 0.215 nan 8.300 nan 0.000 0.563 154 H N -0.161 118.937 119.070 0.047 0.000 2.328 154 H HA 0.250 4.806 4.556 -0.001 0.000 0.230 154 H C -1.935 173.340 175.328 -0.089 0.000 1.481 154 H CA -1.912 54.128 56.048 -0.012 0.000 1.306 154 H CB 0.033 29.795 29.762 -0.000 0.000 1.531 154 H HN 0.082 nan 8.280 nan 0.000 0.533 155 P HA -0.084 nan 4.420 nan 0.000 0.218 155 P C 1.644 178.847 177.300 -0.162 0.000 1.149 155 P CA 1.057 64.095 63.100 -0.103 0.000 0.817 155 P CB 0.362 31.997 31.700 -0.109 0.000 0.785 156 A N -0.841 121.905 122.820 -0.124 0.000 2.070 156 A HA -0.161 4.158 4.320 -0.001 0.000 0.220 156 A C 1.962 179.441 177.584 -0.176 0.000 1.159 156 A CA 1.342 53.267 52.037 -0.187 0.000 0.656 156 A CB -1.239 17.739 19.000 -0.038 0.000 0.800 156 A HN 0.056 nan 8.150 nan 0.000 0.453 157 M N -0.555 118.968 119.600 -0.129 0.000 2.460 157 M HA -0.036 4.444 4.480 -0.001 0.000 0.263 157 M C 1.840 178.031 176.300 -0.181 0.000 1.071 157 M CA 0.922 56.117 55.300 -0.176 0.000 1.096 157 M CB -1.060 31.437 32.600 -0.172 0.000 1.408 157 M HN 0.435 nan 8.290 nan 0.000 0.463 158 R N -1.080 119.311 120.500 -0.181 0.000 2.193 158 R HA -0.126 4.214 4.340 -0.001 0.000 0.229 158 R C 1.591 177.859 176.300 -0.054 0.000 1.110 158 R CA 0.938 56.955 56.100 -0.139 0.000 0.988 158 R CB -0.409 29.799 30.300 -0.154 0.000 0.871 158 R HN 0.601 nan 8.270 nan 0.000 0.458 159 H N -1.253 117.768 119.070 -0.081 0.000 2.529 159 H HA 0.020 4.574 4.556 -0.002 0.000 0.277 159 H C 1.512 176.786 175.328 -0.091 0.000 0.999 159 H CA 0.398 56.407 56.048 -0.066 0.000 1.256 159 H CB 0.649 30.386 29.762 -0.042 0.000 1.402 159 H HN -0.034 nan 8.280 nan 0.000 0.566 160 V N -0.477 119.407 119.914 -0.051 0.000 3.151 160 V HA 0.072 4.191 4.120 -0.001 0.000 0.241 160 V C 2.345 178.311 176.094 -0.214 0.000 1.173 160 V CA 0.879 63.071 62.300 -0.179 0.000 1.154 160 V CB 0.113 31.656 31.823 -0.467 0.000 0.898 160 V HN 0.424 nan 8.190 nan 0.000 0.473 161 A N 1.352 124.040 122.820 -0.220 0.000 1.909 161 A HA -0.245 4.074 4.320 -0.001 0.000 0.221 161 A C 0.371 177.893 177.584 -0.105 0.000 1.223 161 A CA 2.840 54.773 52.037 -0.173 0.000 0.658 161 A CB -2.097 16.824 19.000 -0.132 0.000 0.831 161 A HN 0.518 nan 8.150 nan 0.000 0.462 162 P HA -0.106 nan 4.420 nan 0.000 0.216 162 P C 1.509 178.789 177.300 -0.034 0.000 1.150 162 P CA 1.494 64.570 63.100 -0.040 0.000 0.837 162 P CB -0.119 31.567 31.700 -0.022 0.000 0.786 163 V N -0.476 119.417 119.914 -0.036 0.000 2.548 163 V HA -0.166 3.954 4.120 -0.001 0.000 0.249 163 V C 2.383 178.469 176.094 -0.012 0.000 1.055 163 V CA 1.566 63.857 62.300 -0.015 0.000 1.065 163 V CB -0.952 30.874 31.823 0.004 0.000 0.681 163 V HN 0.069 nan 8.190 nan 0.000 0.462 164 R N 0.592 121.070 120.500 -0.037 0.000 2.066 164 R HA -0.079 4.260 4.340 -0.001 0.000 0.232 164 R C 2.481 178.766 176.300 -0.025 0.000 1.131 164 R CA 1.502 57.587 56.100 -0.025 0.000 0.955 164 R CB -0.615 29.644 30.300 -0.069 0.000 0.851 164 R HN 0.510 nan 8.270 nan 0.000 0.432 165 A N 1.049 123.848 122.820 -0.035 0.000 1.933 165 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 165 A C 2.044 179.617 177.584 -0.018 0.000 1.175 165 A CA 1.601 53.621 52.037 -0.028 0.000 0.628 165 A CB -0.299 18.684 19.000 -0.029 0.000 0.814 165 A HN 0.246 nan 8.150 nan 0.000 0.444 166 E N 0.187 120.378 120.200 -0.015 0.000 2.106 166 E HA -0.070 4.279 4.350 -0.001 0.000 0.192 166 E C 1.807 178.404 176.600 -0.005 0.000 0.984 166 E CA 0.978 57.373 56.400 -0.009 0.000 0.806 166 E CB -0.405 29.291 29.700 -0.007 0.000 0.750 166 E HN 0.575 nan 8.360 nan 0.000 0.458 167 L N -0.708 120.514 121.223 -0.002 0.000 2.131 167 L HA -0.041 4.298 4.340 -0.001 0.000 0.210 167 L C 1.714 178.582 176.870 -0.003 0.000 1.092 167 L CA 0.978 55.820 54.840 0.003 0.000 0.759 167 L CB -0.494 41.572 42.059 0.011 0.000 0.903 167 L HN 0.523 nan 8.230 nan 0.000 0.435 168 G N 0.077 108.872 108.800 -0.009 0.000 2.153 168 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.252 168 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.252 168 G C 0.134 175.022 174.900 -0.021 0.000 0.994 168 G CA 0.389 45.480 45.100 -0.015 0.000 0.698 168 G HN 0.424 nan 8.290 nan 0.000 0.521 169 V N -4.685 115.217 119.914 -0.020 0.000 3.182 169 V HA 0.847 4.966 4.120 -0.001 0.000 0.308 169 V C 0.408 176.479 176.094 -0.038 0.000 1.240 169 V CA -1.899 60.384 62.300 -0.029 0.000 1.063 169 V CB 1.462 33.279 31.823 -0.011 0.000 1.076 169 V HN 0.310 nan 8.190 nan 0.000 0.446 170 R N 1.097 121.559 120.500 -0.064 0.000 2.594 170 R HA 0.618 4.958 4.340 -0.001 0.000 0.272 170 R C 0.140 176.433 176.300 -0.012 0.000 1.074 170 R CA 0.533 56.586 56.100 -0.080 0.000 1.105 170 R CB 1.119 31.315 30.300 -0.173 0.000 1.008 170 R HN 1.112 nan 8.270 nan 0.000 0.472 171 T N -3.161 111.393 114.554 0.001 0.000 2.669 171 T HA 0.105 4.455 4.350 -0.001 0.000 0.283 171 T C 0.841 175.506 174.700 -0.058 0.000 1.019 171 T CA -0.821 61.283 62.100 0.007 0.000 1.039 171 T CB 0.883 69.794 68.868 0.072 0.000 1.374 171 T HN 0.206 nan 8.240 nan 0.000 0.523 172 V N -0.023 119.799 119.914 -0.153 0.000 2.594 172 V HA 0.002 4.122 4.120 -0.001 0.000 0.253 172 V C 2.018 177.945 176.094 -0.278 0.000 1.069 172 V CA 1.716 63.849 62.300 -0.277 0.000 1.082 172 V CB -1.339 30.265 31.823 -0.366 0.000 0.680 172 V HN 0.765 nan 8.190 nan 0.000 0.469 173 F N 1.166 121.049 119.950 -0.113 0.000 2.269 173 F HA -0.113 4.413 4.527 -0.001 0.000 0.301 173 F C 2.040 177.770 175.800 -0.116 0.000 1.082 173 F CA 1.969 59.902 58.000 -0.113 0.000 1.360 173 F CB -0.891 38.052 39.000 -0.094 0.000 1.041 173 F HN 0.332 nan 8.300 nan 0.000 0.512 174 N N -0.006 118.725 118.700 0.051 0.000 2.244 174 N HA -0.106 4.634 4.740 -0.001 0.000 0.183 174 N C 1.741 177.233 175.510 -0.030 0.000 1.016 174 N CA 0.912 53.970 53.050 0.014 0.000 0.866 174 N CB -0.299 38.189 38.487 0.002 0.000 0.980 174 N HN 0.243 nan 8.380 nan 0.000 0.430 175 L N -0.296 120.842 121.223 -0.141 0.000 2.209 175 L HA 0.078 4.417 4.340 -0.001 0.000 0.207 175 L C 1.675 178.443 176.870 -0.169 0.000 1.094 175 L CA 0.522 55.215 54.840 -0.244 0.000 0.790 175 L CB -0.253 41.527 42.059 -0.465 0.000 0.932 175 L HN 0.153 nan 8.230 nan 0.000 0.447 176 L N -0.297 120.847 121.223 -0.133 0.000 2.217 176 L HA -0.021 4.318 4.340 -0.001 0.000 0.211 176 L C 2.665 179.510 176.870 -0.043 0.000 1.107 176 L CA 0.840 55.622 54.840 -0.096 0.000 0.783 176 L CB -1.085 40.916 42.059 -0.096 0.000 0.919 176 L HN 0.281 nan 8.230 nan 0.000 0.442 177 G N 1.791 110.576 108.800 -0.025 0.000 2.553 177 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.218 177 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.218 177 G C -0.491 174.412 174.900 0.005 0.000 1.195 177 G CA 1.038 46.116 45.100 -0.037 0.000 0.779 177 G HN 0.321 nan 8.290 nan 0.000 0.577 178 P HA 0.044 nan 4.420 nan 0.000 0.230 178 P C 1.393 178.716 177.300 0.037 0.000 1.158 178 P CA 0.694 63.827 63.100 0.055 0.000 0.769 178 P CB -0.032 31.679 31.700 0.018 0.000 0.807 179 L N -0.046 121.157 121.223 -0.034 0.000 2.628 179 L HA 0.127 4.467 4.340 -0.001 0.000 0.229 179 L C 1.120 177.976 176.870 -0.023 0.000 1.137 179 L CA 0.611 55.392 54.840 -0.099 0.000 0.909 179 L CB -0.516 41.462 42.059 -0.135 0.000 1.137 179 L HN 0.023 nan 8.230 nan 0.000 0.470 180 T N -4.423 110.169 114.554 0.063 0.000 3.308 180 T HA 0.089 4.438 4.350 -0.001 0.000 0.270 180 T C 0.541 175.255 174.700 0.023 0.000 0.992 180 T CA -0.527 61.606 62.100 0.055 0.000 0.931 180 T CB -0.416 68.447 68.868 -0.008 0.000 1.142 180 T HN 0.091 nan 8.240 nan 0.000 0.525 181 N N 2.900 121.603 118.700 0.005 0.000 2.374 181 N HA 0.012 4.751 4.740 -0.001 0.000 0.269 181 N C -1.692 173.638 175.510 -0.300 0.000 1.310 181 N CA -0.870 52.044 53.050 -0.226 0.000 0.877 181 N CB 1.336 39.822 38.487 -0.001 0.000 1.096 181 N HN 0.118 nan 8.380 nan 0.000 0.484 182 P HA -0.071 nan 4.420 nan 0.000 0.221 182 P C 0.370 177.432 177.300 -0.395 0.000 1.145 182 P CA 1.022 63.806 63.100 -0.527 0.000 0.795 182 P CB 0.223 31.229 31.700 -1.156 0.000 0.775 183 A N -1.198 121.385 122.820 -0.395 0.000 2.275 183 A HA 0.493 4.813 4.320 -0.001 0.000 0.212 183 A C 1.534 179.027 177.584 -0.153 0.000 1.201 183 A CA 0.533 52.419 52.037 -0.252 0.000 0.843 183 A CB -1.038 17.799 19.000 -0.271 0.000 0.873 183 A HN 0.210 nan 8.150 nan 0.000 0.492 184 G N -1.017 107.711 108.800 -0.120 0.000 2.160 184 G HA2 0.082 4.041 3.960 -0.001 0.000 0.244 184 G HA3 0.082 4.041 3.960 -0.001 0.000 0.244 184 G C 0.475 175.352 174.900 -0.039 0.000 1.022 184 G CA 0.313 45.381 45.100 -0.053 0.000 0.741 184 G HN 1.658 nan 8.290 nan 0.000 0.508 185 A N 0.364 123.137 122.820 -0.078 0.000 2.587 185 A HA 0.422 4.742 4.320 -0.001 0.000 0.235 185 A C 1.374 178.936 177.584 -0.037 0.000 1.044 185 A CA 1.230 53.170 52.037 -0.162 0.000 0.754 185 A CB 0.270 19.051 19.000 -0.364 0.000 0.968 185 A HN 0.952 nan 8.150 nan 0.000 0.509 186 D N 0.411 120.770 120.400 -0.069 0.000 2.469 186 D HA 0.359 4.999 4.640 -0.001 0.000 0.213 186 D C 0.246 176.594 176.300 0.081 0.000 1.135 186 D CA 0.714 54.768 54.000 0.090 0.000 0.834 186 D CB 0.085 40.910 40.800 0.040 0.000 1.009 186 D HN 0.610 nan 8.370 nan 0.000 0.507 187 A N 0.097 122.821 122.820 -0.160 0.000 2.331 187 A HA 0.657 4.976 4.320 -0.001 0.000 0.320 187 A C -1.656 175.735 177.584 -0.322 0.000 1.138 187 A CA -0.584 51.393 52.037 -0.100 0.000 0.790 187 A CB 1.200 20.136 19.000 -0.106 0.000 1.206 187 A HN 0.094 nan 8.150 nan 0.000 0.470 188 Y N 0.033 120.329 120.300 -0.008 0.000 2.581 188 Y HA 0.561 5.110 4.550 -0.001 0.000 0.345 188 Y C -0.293 175.619 175.900 0.019 0.000 1.036 188 Y CA -0.929 57.173 58.100 0.003 0.000 1.042 188 Y CB 2.598 41.061 38.460 0.004 0.000 1.289 188 Y HN 0.354 nan 8.280 nan 0.000 0.471 189 V N 3.787 123.811 119.914 0.183 0.000 2.380 189 V HA 0.303 4.422 4.120 -0.001 0.000 0.268 189 V C -0.936 175.246 176.094 0.147 0.000 1.008 189 V CA -0.520 61.858 62.300 0.131 0.000 0.823 189 V CB 1.240 33.110 31.823 0.079 0.000 1.053 189 V HN 0.603 nan 8.190 nan 0.000 0.446 190 L N 3.958 125.268 121.223 0.144 0.000 2.265 190 L HA 0.848 5.187 4.340 -0.001 0.000 0.289 190 L C 0.734 177.645 176.870 0.067 0.000 1.033 190 L CA -0.135 54.770 54.840 0.110 0.000 0.814 190 L CB 1.083 43.178 42.059 0.058 0.000 1.203 190 L HN 0.652 nan 8.230 nan 0.000 0.423 191 G N 4.344 113.187 108.800 0.071 0.000 2.356 191 G HA2 0.522 4.481 3.960 -0.001 0.000 0.298 191 G HA3 0.522 4.481 3.960 -0.001 0.000 0.298 191 G C -0.726 174.214 174.900 0.066 0.000 1.145 191 G CA -0.378 44.767 45.100 0.074 0.000 0.850 191 G HN 0.585 nan 8.290 nan 0.000 0.487 192 V N 0.910 120.866 119.914 0.070 0.000 2.815 192 V HA 0.635 4.754 4.120 -0.001 0.000 0.314 192 V C 0.980 177.117 176.094 0.072 0.000 1.064 192 V CA -0.959 61.325 62.300 -0.027 0.000 0.952 192 V CB 1.428 33.171 31.823 -0.135 0.000 1.020 192 V HN 0.781 nan 8.190 nan 0.000 0.439 193 F N 1.125 121.149 119.950 0.124 0.000 2.407 193 F HA 0.316 4.846 4.527 0.006 0.000 0.299 193 F C 0.910 176.773 175.800 0.105 0.000 1.097 193 F CA 0.341 58.433 58.000 0.154 0.000 1.422 193 F CB -0.844 38.212 39.000 0.094 0.000 1.067 193 F HN 0.654 nan 8.300 nan 0.000 0.539 194 S N -0.054 115.421 115.700 -0.375 0.000 2.549 194 S HA 0.442 4.911 4.470 -0.001 0.000 0.280 194 S C -2.072 172.158 174.600 -0.617 0.000 1.109 194 S CA -1.445 56.513 58.200 -0.405 0.000 0.905 194 S CB 2.118 65.291 63.200 -0.045 0.000 1.081 194 S HN -0.116 nan 8.310 nan 0.000 0.477 195 P HA -0.173 nan 4.420 nan 0.000 0.220 195 P C 1.169 178.306 177.300 -0.273 0.000 1.148 195 P CA 1.238 64.090 63.100 -0.414 0.000 0.803 195 P CB 0.017 31.574 31.700 -0.238 0.000 0.782 196 E N -0.590 119.417 120.200 -0.322 0.000 2.409 196 E HA -0.171 4.178 4.350 -0.001 0.000 0.198 196 E C 1.223 177.517 176.600 -0.510 0.000 1.024 196 E CA 0.724 56.882 56.400 -0.404 0.000 0.861 196 E CB -1.025 28.384 29.700 -0.485 0.000 0.788 196 E HN 0.412 nan 8.360 nan 0.000 0.521 197 W N 0.853 121.986 121.300 -0.278 0.000 3.197 197 W HA 0.313 4.972 4.660 -0.002 0.000 0.274 197 W C 1.930 178.325 176.519 -0.207 0.000 1.297 197 W CA -0.557 56.627 57.345 -0.268 0.000 1.662 197 W CB 0.135 29.342 29.460 -0.422 0.000 1.106 197 W HN -0.050 nan 8.180 nan 0.000 0.663 198 L N 0.261 121.474 121.223 -0.017 0.000 1.970 198 L HA -0.271 4.069 4.340 -0.001 0.000 0.212 198 L C 2.682 179.544 176.870 -0.013 0.000 1.071 198 L CA 1.782 56.609 54.840 -0.022 0.000 0.751 198 L CB -1.193 40.833 42.059 -0.054 0.000 0.889 198 L HN 0.019 nan 8.230 nan 0.000 0.432 199 A N -0.029 122.770 122.820 -0.035 0.000 1.873 199 A HA -0.088 4.231 4.320 -0.001 0.000 0.215 199 A C 0.028 177.615 177.584 0.005 0.000 1.186 199 A CA 1.575 53.597 52.037 -0.026 0.000 0.616 199 A CB -1.810 17.161 19.000 -0.048 0.000 0.823 199 A HN 0.287 nan 8.150 nan 0.000 0.442 200 P HA -0.133 nan 4.420 nan 0.000 0.217 200 P C 1.599 178.958 177.300 0.098 0.000 1.150 200 P CA 1.072 64.227 63.100 0.091 0.000 0.832 200 P CB -0.100 31.712 31.700 0.186 0.000 0.787 201 M N -1.318 118.344 119.600 0.104 0.000 2.254 201 M HA 0.014 4.493 4.480 -0.001 0.000 0.265 201 M C 2.029 178.319 176.300 -0.018 0.000 1.066 201 M CA 1.314 56.627 55.300 0.022 0.000 1.123 201 M CB -1.608 30.991 32.600 -0.002 0.000 1.388 201 M HN -0.100 nan 8.290 nan 0.000 0.425 202 A N -0.157 122.661 122.820 -0.004 0.000 1.898 202 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 202 A C 2.139 179.718 177.584 -0.008 0.000 1.181 202 A CA 1.695 53.725 52.037 -0.011 0.000 0.620 202 A CB -0.645 18.353 19.000 -0.004 0.000 0.819 202 A HN 0.539 nan 8.150 nan 0.000 0.442 203 E N -0.175 120.028 120.200 0.004 0.000 2.072 203 E HA -0.106 4.244 4.350 -0.001 0.000 0.191 203 E C 2.166 178.767 176.600 0.002 0.000 0.985 203 E CA 0.893 57.299 56.400 0.010 0.000 0.801 203 E CB -0.219 29.495 29.700 0.023 0.000 0.750 203 E HN 0.547 nan 8.360 nan 0.000 0.452 204 A N 1.083 123.898 122.820 -0.008 0.000 1.877 204 A HA -0.178 4.141 4.320 -0.001 0.000 0.216 204 A C 2.190 179.741 177.584 -0.056 0.000 1.186 204 A CA 1.115 53.134 52.037 -0.030 0.000 0.620 204 A CB -0.728 18.241 19.000 -0.051 0.000 0.822 204 A HN 0.305 nan 8.150 nan 0.000 0.443 205 L N -0.912 120.261 121.223 -0.083 0.000 2.042 205 L HA -0.239 4.101 4.340 -0.001 0.000 0.210 205 L C 2.704 179.543 176.870 -0.051 0.000 1.076 205 L CA 1.975 56.745 54.840 -0.117 0.000 0.749 205 L CB -0.436 41.537 42.059 -0.143 0.000 0.893 205 L HN 0.643 nan 8.230 nan 0.000 0.432 206 E N 0.252 120.439 120.200 -0.021 0.000 2.051 206 E HA -0.251 4.098 4.350 -0.001 0.000 0.192 206 E C 2.321 178.922 176.600 0.002 0.000 0.991 206 E CA 1.202 57.602 56.400 0.000 0.000 0.799 206 E CB 0.054 29.760 29.700 0.009 0.000 0.748 206 E HN 0.322 nan 8.360 nan 0.000 0.449 207 R N -0.069 120.432 120.500 0.002 0.000 2.127 207 R HA -0.089 4.251 4.340 -0.001 0.000 0.238 207 R C 2.191 178.495 176.300 0.006 0.000 1.134 207 R CA 1.016 57.123 56.100 0.010 0.000 0.975 207 R CB -0.202 30.110 30.300 0.021 0.000 0.865 207 R HN 0.298 nan 8.270 nan 0.000 0.447 208 L N -0.184 121.034 121.223 -0.008 0.000 2.599 208 L HA 0.128 4.468 4.340 -0.001 0.000 0.230 208 L C 1.084 177.959 176.870 0.007 0.000 1.141 208 L CA 0.345 55.181 54.840 -0.007 0.000 0.877 208 L CB 0.032 42.068 42.059 -0.038 0.000 1.009 208 L HN 0.435 nan 8.230 nan 0.000 0.447 209 G N 0.120 108.926 108.800 0.010 0.000 2.153 209 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.252 209 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.252 209 G C 0.364 175.285 174.900 0.035 0.000 0.994 209 G CA 0.237 45.349 45.100 0.020 0.000 0.698 209 G HN 0.528 nan 8.290 nan 0.000 0.521 210 A N -0.401 122.443 122.820 0.041 0.000 2.242 210 A HA 0.991 5.311 4.320 -0.001 0.000 0.304 210 A C 0.614 178.247 177.584 0.081 0.000 1.100 210 A CA 0.306 52.401 52.037 0.096 0.000 0.860 210 A CB 0.685 19.756 19.000 0.118 0.000 1.168 210 A HN 1.413 nan 8.150 nan 0.000 0.503 211 R N -1.123 119.451 120.500 0.124 0.000 2.836 211 R HA 0.819 5.159 4.340 -0.001 0.000 0.269 211 R C 0.018 176.386 176.300 0.115 0.000 1.010 211 R CA -0.220 55.927 56.100 0.079 0.000 0.930 211 R CB 1.213 31.532 30.300 0.032 0.000 1.218 211 R HN 2.196 nan 8.270 nan 0.000 0.473 212 G N 0.415 109.262 108.800 0.078 0.000 2.270 212 G HA2 0.100 4.060 3.960 -0.001 0.000 0.268 212 G HA3 0.100 4.060 3.960 -0.001 0.000 0.268 212 G C -1.614 173.361 174.900 0.124 0.000 1.312 212 G CA -0.677 44.484 45.100 0.102 0.000 1.050 212 G HN 0.496 nan 8.290 nan 0.000 0.474 213 L N -0.547 120.760 121.223 0.140 0.000 2.354 213 L HA 0.818 5.158 4.340 -0.001 0.000 0.269 213 L C -0.207 176.708 176.870 0.075 0.000 1.005 213 L CA -1.314 53.591 54.840 0.109 0.000 0.819 213 L CB 1.998 44.138 42.059 0.136 0.000 1.311 213 L HN 0.439 nan 8.230 nan 0.000 0.423 214 V N 2.521 122.451 119.914 0.025 0.000 2.417 214 V HA 0.580 4.699 4.120 -0.001 0.000 0.291 214 V C -0.006 176.090 176.094 0.003 0.000 1.024 214 V CA -0.572 61.737 62.300 0.016 0.000 0.861 214 V CB 2.088 33.908 31.823 -0.005 0.000 0.985 214 V HN 0.589 nan 8.190 nan 0.000 0.436 215 V N 1.980 121.913 119.914 0.031 0.000 3.074 215 V HA 0.845 4.964 4.120 -0.001 0.000 0.314 215 V C -1.110 175.047 176.094 0.105 0.000 1.117 215 V CA -0.763 61.560 62.300 0.039 0.000 1.014 215 V CB 2.152 33.995 31.823 0.033 0.000 1.057 215 V HN 0.979 nan 8.190 nan 0.000 0.438 216 H N 0.696 119.756 119.070 -0.016 0.000 3.083 216 H HA 0.724 5.279 4.556 -0.002 0.000 0.339 216 H C -0.315 175.017 175.328 0.006 0.000 1.020 216 H CA 0.381 56.428 56.048 -0.002 0.000 1.360 216 H CB 1.726 31.480 29.762 -0.012 0.000 1.811 216 H HN 1.264 nan 8.280 nan 0.000 0.493 217 G N 3.536 112.034 108.800 -0.503 0.000 2.744 217 G HA2 0.368 4.328 3.960 -0.001 0.000 0.309 217 G HA3 0.368 4.328 3.960 -0.001 0.000 0.309 217 G C -0.865 173.805 174.900 -0.385 0.000 1.328 217 G CA -0.817 44.083 45.100 -0.333 0.000 1.034 217 G HN 0.848 nan 8.290 nan 0.000 0.518 218 E N 1.266 121.294 120.200 -0.287 0.000 2.173 218 E HA -0.287 4.063 4.350 -0.001 0.000 0.160 218 E C 1.542 178.073 176.600 -0.115 0.000 1.581 218 E CA 0.793 57.117 56.400 -0.127 0.000 0.618 218 E CB -1.024 28.643 29.700 -0.054 0.000 1.049 218 E HN 1.582 nan 8.360 nan 0.000 0.311 219 G N -0.069 108.680 108.800 -0.086 0.000 2.347 219 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.247 219 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.247 219 G C 0.493 175.438 174.900 0.075 0.000 1.037 219 G CA 0.339 45.505 45.100 0.109 0.000 0.622 219 G HN 1.121 nan 8.290 nan 0.000 0.521 220 A N 1.049 123.805 122.820 -0.106 0.000 2.371 220 A HA 0.526 4.846 4.320 -0.001 0.000 0.257 220 A C 0.925 178.503 177.584 -0.010 0.000 1.089 220 A CA 0.745 52.762 52.037 -0.033 0.000 0.794 220 A CB 0.335 19.304 19.000 -0.051 0.000 1.029 220 A HN 0.815 nan 8.150 nan 0.000 0.488 221 D N 0.827 121.288 120.400 0.101 0.000 2.690 221 D HA 0.097 4.736 4.640 -0.001 0.000 0.236 221 D C 0.065 176.417 176.300 0.087 0.000 1.218 221 D CA 0.149 54.241 54.000 0.154 0.000 0.829 221 D CB -0.272 40.640 40.800 0.185 0.000 1.009 221 D HN 0.743 nan 8.370 nan 0.000 0.482 222 E N -0.974 119.245 120.200 0.031 0.000 2.432 222 E HA 0.266 4.615 4.350 -0.001 0.000 0.279 222 E C -1.195 175.399 176.600 -0.010 0.000 1.099 222 E CA -1.023 55.391 56.400 0.024 0.000 0.859 222 E CB 0.315 30.035 29.700 0.033 0.000 1.402 222 E HN -0.042 nan 8.360 nan 0.000 0.451 223 L N 1.789 123.016 121.223 0.005 0.000 2.462 223 L HA 0.332 4.672 4.340 -0.001 0.000 0.272 223 L C 0.238 177.102 176.870 -0.009 0.000 1.166 223 L CA -0.329 54.510 54.840 -0.001 0.000 0.880 223 L CB 0.631 42.701 42.059 0.019 0.000 1.142 223 L HN 0.472 nan 8.230 nan 0.000 0.473 224 V N 1.612 121.513 119.914 -0.021 0.000 3.113 224 V HA 0.418 4.538 4.120 -0.001 0.000 0.316 224 V C 0.182 176.271 176.094 -0.009 0.000 1.125 224 V CA -1.107 61.182 62.300 -0.018 0.000 1.026 224 V CB 1.992 33.795 31.823 -0.033 0.000 1.080 224 V HN 0.558 nan 8.190 nan 0.000 0.444 225 L N 2.362 123.583 121.223 -0.005 0.000 2.650 225 L HA 0.590 4.930 4.340 -0.001 0.000 0.239 225 L C 0.851 177.720 176.870 -0.001 0.000 1.412 225 L CA 0.697 55.537 54.840 0.000 0.000 1.219 225 L CB -1.247 40.813 42.059 0.002 0.000 1.534 225 L HN 1.050 nan 8.230 nan 0.000 0.430 226 G N -0.415 108.383 108.800 -0.004 0.000 3.003 226 G HA2 0.266 4.225 3.960 -0.001 0.000 0.243 226 G HA3 0.266 4.225 3.960 -0.001 0.000 0.243 226 G C -1.189 173.711 174.900 -0.000 0.000 1.176 226 G CA -0.397 44.701 45.100 -0.004 0.000 0.812 226 G HN 0.094 nan 8.290 nan 0.000 0.584 227 E N 1.406 121.606 120.200 0.000 0.000 1.996 227 E HA 0.276 4.625 4.350 -0.001 0.000 0.280 227 E C -0.241 176.360 176.600 0.002 0.000 1.092 227 E CA -0.293 56.113 56.400 0.009 0.000 0.862 227 E CB -0.196 29.513 29.700 0.014 0.000 1.066 227 E HN 0.313 nan 8.360 nan 0.000 0.396 228 N N 3.582 122.287 118.700 0.008 0.000 2.492 228 N HA 0.359 5.098 4.740 -0.001 0.000 0.289 228 N C -0.504 175.015 175.510 0.015 0.000 1.133 228 N CA -0.563 52.486 53.050 -0.001 0.000 0.961 228 N CB 1.003 39.492 38.487 0.003 0.000 1.186 228 N HN 0.234 nan 8.380 nan 0.000 0.493 229 R N 0.792 121.303 120.500 0.018 0.000 2.514 229 R HA 0.608 4.947 4.340 -0.001 0.000 0.301 229 R C -0.761 175.502 176.300 -0.063 0.000 0.962 229 R CA -0.789 55.311 56.100 -0.001 0.000 0.882 229 R CB 1.412 31.740 30.300 0.047 0.000 1.143 229 R HN 0.281 nan 8.270 nan 0.000 0.452 230 V N 1.938 121.728 119.914 -0.208 0.000 3.007 230 V HA 0.553 4.673 4.120 -0.001 0.000 0.311 230 V C -0.712 175.134 176.094 -0.413 0.000 1.120 230 V CA -0.861 61.233 62.300 -0.343 0.000 0.980 230 V CB 2.959 34.425 31.823 -0.595 0.000 1.033 230 V HN 0.391 nan 8.190 nan 0.000 0.429 231 V N 2.576 122.331 119.914 -0.266 0.000 2.488 231 V HA 0.401 4.520 4.120 -0.001 0.000 0.293 231 V C -0.377 175.663 176.094 -0.089 0.000 1.027 231 V CA -0.499 61.699 62.300 -0.170 0.000 0.862 231 V CB 1.678 33.454 31.823 -0.079 0.000 1.008 231 V HN 0.968 nan 8.190 nan 0.000 0.428 232 E N 3.828 124.012 120.200 -0.026 0.000 2.216 232 E HA 0.505 4.854 4.350 -0.001 0.000 0.279 232 E C -0.728 175.929 176.600 0.095 0.000 0.997 232 E CA -0.619 55.842 56.400 0.102 0.000 0.817 232 E CB 1.933 31.807 29.700 0.290 0.000 1.096 232 E HN 0.468 nan 8.360 nan 0.000 0.393 233 V N 4.666 124.628 119.914 0.080 0.000 2.493 233 V HA 0.171 4.290 4.120 -0.001 0.000 0.292 233 V C 1.329 177.465 176.094 0.069 0.000 1.016 233 V CA 1.525 63.860 62.300 0.059 0.000 1.097 233 V CB 0.337 32.188 31.823 0.047 0.000 0.947 233 V HN 1.070 nan 8.190 nan 0.000 0.479 234 G N 4.279 113.115 108.800 0.061 0.000 2.143 234 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.249 234 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.249 234 G C 0.707 175.656 174.900 0.082 0.000 0.981 234 G CA 0.645 45.781 45.100 0.061 0.000 0.665 234 G HN 0.768 nan 8.290 nan 0.000 0.528 235 K N -1.131 119.335 120.400 0.110 0.000 2.620 235 K HA 0.484 4.804 4.320 -0.001 0.000 0.208 235 K C 1.210 177.902 176.600 0.154 0.000 1.582 235 K CA 1.154 57.526 56.287 0.142 0.000 1.083 235 K CB 0.596 33.223 32.500 0.211 0.000 1.420 235 K HN 1.809 nan 8.250 nan 0.000 0.582 236 G N 0.701 109.584 108.800 0.137 0.000 2.466 236 G HA2 0.113 4.072 3.960 -0.001 0.000 0.316 236 G HA3 0.113 4.072 3.960 -0.001 0.000 0.316 236 G C -1.138 173.826 174.900 0.106 0.000 1.270 236 G CA -0.466 44.702 45.100 0.112 0.000 0.982 236 G HN 0.383 nan 8.290 nan 0.000 0.506 237 A N -0.388 122.476 122.820 0.073 0.000 2.295 237 A HA 1.081 5.401 4.320 -0.001 0.000 0.318 237 A C -0.393 177.264 177.584 0.122 0.000 1.134 237 A CA 0.502 52.530 52.037 -0.015 0.000 0.827 237 A CB 0.881 19.867 19.000 -0.023 0.000 1.136 237 A HN 2.311 nan 8.150 nan 0.000 0.493 238 Y N -2.537 117.775 120.300 0.021 0.000 2.687 238 Y HA 0.642 5.192 4.550 -0.000 0.000 0.338 238 Y C -0.286 175.624 175.900 0.017 0.000 1.189 238 Y CA -0.858 57.251 58.100 0.015 0.000 1.097 238 Y CB 0.461 38.927 38.460 0.010 0.000 1.342 238 Y HN 0.991 nan 8.280 nan 0.000 0.461 239 A N 1.893 124.846 122.820 0.221 0.000 2.302 239 A HA 0.730 5.050 4.320 -0.001 0.000 0.285 239 A C -1.459 176.253 177.584 0.214 0.000 1.105 239 A CA -0.528 51.590 52.037 0.136 0.000 0.816 239 A CB 1.170 20.224 19.000 0.091 0.000 1.067 239 A HN 1.071 nan 8.150 nan 0.000 0.489 240 L N 1.765 123.067 121.223 0.132 0.000 2.446 240 L HA 0.585 4.925 4.340 -0.001 0.000 0.268 240 L C 0.096 177.005 176.870 0.065 0.000 0.975 240 L CA 0.201 55.119 54.840 0.129 0.000 0.848 240 L CB 1.843 43.990 42.059 0.147 0.000 1.225 240 L HN 0.881 nan 8.230 nan 0.000 0.410 241 T N 1.798 116.382 114.554 0.049 0.000 2.940 241 T HA 0.611 4.960 4.350 -0.001 0.000 0.288 241 T C -2.253 172.460 174.700 0.022 0.000 1.033 241 T CA -1.975 60.142 62.100 0.029 0.000 1.033 241 T CB 1.670 70.551 68.868 0.023 0.000 1.079 241 T HN 0.365 nan 8.240 nan 0.000 0.496 242 P HA -0.090 nan 4.420 nan 0.000 0.215 242 P C 1.150 178.456 177.300 0.010 0.000 1.153 242 P CA 1.112 64.220 63.100 0.014 0.000 0.853 242 P CB 0.055 31.762 31.700 0.010 0.000 0.788 243 E N 0.378 120.583 120.200 0.008 0.000 2.070 243 E HA -0.242 4.108 4.350 -0.001 0.000 0.197 243 E C 1.894 178.494 176.600 0.000 0.000 1.004 243 E CA 1.648 58.050 56.400 0.004 0.000 0.805 243 E CB -1.124 28.578 29.700 0.004 0.000 0.744 243 E HN 0.567 nan 8.360 nan 0.000 0.451 244 E N 0.843 121.042 120.200 -0.001 0.000 2.409 244 E HA -0.111 4.239 4.350 -0.001 0.000 0.198 244 E C 1.133 177.724 176.600 -0.015 0.000 1.024 244 E CA 1.300 57.694 56.400 -0.011 0.000 0.861 244 E CB 0.004 29.694 29.700 -0.016 0.000 0.788 244 E HN 0.349 nan 8.360 nan 0.000 0.521 245 V N -3.199 116.712 119.914 -0.004 0.000 3.176 245 V HA 0.532 4.652 4.120 -0.001 0.000 0.332 245 V C 1.098 177.194 176.094 0.005 0.000 1.414 245 V CA -0.170 62.129 62.300 -0.002 0.000 1.133 245 V CB 0.004 31.831 31.823 0.007 0.000 1.088 245 V HN 0.260 nan 8.190 nan 0.000 0.473 246 G N 0.920 109.722 108.800 0.002 0.000 2.143 246 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.248 246 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.248 246 G C -0.158 174.747 174.900 0.008 0.000 0.991 246 G CA 0.677 45.780 45.100 0.004 0.000 0.689 246 G HN 0.587 nan 8.290 nan 0.000 0.522 247 L N -1.057 120.172 121.223 0.009 0.000 2.334 247 L HA 0.738 5.078 4.340 -0.001 0.000 0.270 247 L C 0.348 177.222 176.870 0.008 0.000 1.018 247 L CA -1.232 53.614 54.840 0.011 0.000 0.811 247 L CB 1.585 43.653 42.059 0.014 0.000 1.271 247 L HN -0.022 nan 8.230 nan 0.000 0.443 248 K N 0.845 121.249 120.400 0.007 0.000 2.123 248 K HA 0.482 4.801 4.320 -0.001 0.000 0.259 248 K C -0.596 176.007 176.600 0.005 0.000 0.960 248 K CA -0.707 55.583 56.287 0.005 0.000 0.872 248 K CB 1.414 33.916 32.500 0.004 0.000 1.079 248 K HN 0.359 nan 8.250 nan 0.000 0.440 249 R N 0.925 121.428 120.500 0.005 0.000 2.801 249 R HA 0.602 4.942 4.340 -0.001 0.000 0.273 249 R C -0.432 175.870 176.300 0.003 0.000 1.080 249 R CA -0.353 55.749 56.100 0.004 0.000 1.197 249 R CB 0.652 30.954 30.300 0.004 0.000 1.109 249 R HN 0.715 nan 8.270 nan 0.000 0.535 250 A N 1.088 123.909 122.820 0.002 0.000 2.581 250 A HA 0.391 4.711 4.320 -0.001 0.000 0.294 250 A C -2.713 174.871 177.584 0.000 0.000 1.035 250 A CA -1.237 50.800 52.037 0.001 0.000 0.684 250 A CB 1.296 20.297 19.000 0.001 0.000 1.282 250 A HN 0.537 nan 8.150 nan 0.000 0.417 251 P HA 0.376 nan 4.420 nan 0.000 0.277 251 P C 0.793 178.093 177.300 -0.000 0.000 1.240 251 P CA -0.448 62.652 63.100 0.000 0.000 0.798 251 P CB 0.701 32.402 31.700 0.002 0.000 0.979 252 L N 0.333 121.555 121.223 -0.001 0.000 2.129 252 L HA -0.232 4.108 4.340 -0.001 0.000 0.212 252 L C 2.530 179.401 176.870 0.002 0.000 1.087 252 L CA 1.706 56.546 54.840 -0.001 0.000 0.757 252 L CB -0.805 41.254 42.059 -0.000 0.000 0.896 252 L HN 0.465 nan 8.230 nan 0.000 0.434 253 E N 0.893 121.095 120.200 0.003 0.000 2.130 253 E HA -0.248 4.101 4.350 -0.001 0.000 0.196 253 E C 2.034 178.635 176.600 0.002 0.000 0.998 253 E CA 1.627 58.029 56.400 0.003 0.000 0.806 253 E CB -0.107 29.595 29.700 0.003 0.000 0.738 253 E HN 0.413 nan 8.360 nan 0.000 0.459 254 A N -0.134 122.686 122.820 0.001 0.000 2.119 254 A HA 0.014 4.333 4.320 -0.001 0.000 0.217 254 A C 1.783 179.367 177.584 0.000 0.000 1.153 254 A CA 0.817 52.855 52.037 0.000 0.000 0.692 254 A CB -0.271 18.729 19.000 -0.000 0.000 0.799 254 A HN 0.325 nan 8.150 nan 0.000 0.458 255 L N -0.454 120.770 121.223 0.001 0.000 2.653 255 L HA 0.120 4.459 4.340 -0.001 0.000 0.231 255 L C 0.046 176.918 176.870 0.003 0.000 1.153 255 L CA -0.284 54.557 54.840 0.002 0.000 0.933 255 L CB -0.156 41.904 42.059 0.002 0.000 1.175 255 L HN 0.088 nan 8.230 nan 0.000 0.473 256 K N 1.473 121.875 120.400 0.003 0.000 2.355 256 K HA 0.303 4.623 4.320 -0.001 0.000 0.270 256 K C 0.515 177.117 176.600 0.003 0.000 1.003 256 K CA 0.101 56.391 56.287 0.004 0.000 0.957 256 K CB 1.735 34.238 32.500 0.004 0.000 0.939 256 K HN 0.099 nan 8.250 nan 0.000 0.482 257 G N 0.074 108.877 108.800 0.004 0.000 2.940 257 G HA2 0.700 4.660 3.960 -0.001 0.000 0.164 257 G HA3 0.700 4.660 3.960 -0.001 0.000 0.164 257 G C -0.083 174.818 174.900 0.002 0.000 1.326 257 G CA 0.083 45.185 45.100 0.002 0.000 1.020 257 G HN 0.663 nan 8.290 nan 0.000 0.586 258 G N -1.904 106.896 108.800 0.002 0.000 2.619 258 G HA2 0.564 4.524 3.960 -0.001 0.000 0.146 258 G HA3 0.564 4.524 3.960 -0.001 0.000 0.146 258 G C 0.116 175.017 174.900 0.001 0.000 1.192 258 G CA 0.387 45.488 45.100 0.001 0.000 1.063 258 G HN 1.188 nan 8.290 nan 0.000 0.538 259 G N -0.009 108.791 108.800 0.000 0.000 2.634 259 G HA2 0.461 4.420 3.960 -0.001 0.000 0.255 259 G HA3 0.461 4.420 3.960 -0.001 0.000 0.255 259 G C -1.175 173.723 174.900 -0.004 0.000 1.205 259 G CA -0.199 44.900 45.100 -0.000 0.000 0.884 259 G HN 0.307 nan 8.290 nan 0.000 0.549 260 P HA -0.093 nan 4.420 nan 0.000 0.215 260 P C 1.681 178.974 177.300 -0.012 0.000 1.153 260 P CA 1.011 64.104 63.100 -0.011 0.000 0.853 260 P CB 0.327 32.020 31.700 -0.012 0.000 0.788 261 E N -0.483 119.712 120.200 -0.008 0.000 2.072 261 E HA -0.171 4.179 4.350 -0.001 0.000 0.190 261 E C 2.031 178.627 176.600 -0.007 0.000 0.982 261 E CA 0.929 57.325 56.400 -0.007 0.000 0.803 261 E CB -0.624 29.073 29.700 -0.005 0.000 0.755 261 E HN 0.426 nan 8.360 nan 0.000 0.453 262 E N 0.800 120.996 120.200 -0.007 0.000 2.051 262 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 262 E C 1.690 178.284 176.600 -0.010 0.000 0.991 262 E CA 1.080 57.475 56.400 -0.008 0.000 0.799 262 E CB 0.058 29.754 29.700 -0.006 0.000 0.748 262 E HN 0.063 nan 8.360 nan 0.000 0.449 263 N N 0.268 118.963 118.700 -0.010 0.000 2.166 263 N HA -0.135 4.604 4.740 -0.001 0.000 0.186 263 N C 1.463 176.965 175.510 -0.013 0.000 1.019 263 N CA 1.335 54.378 53.050 -0.011 0.000 0.856 263 N CB -0.317 38.163 38.487 -0.011 0.000 0.993 263 N HN 0.249 nan 8.380 nan 0.000 0.426 264 A N 0.343 123.156 122.820 -0.012 0.000 1.930 264 A HA 0.113 4.433 4.320 -0.001 0.000 0.217 264 A C 2.262 179.843 177.584 -0.005 0.000 1.175 264 A CA 1.630 53.663 52.037 -0.007 0.000 0.627 264 A CB -0.806 18.192 19.000 -0.004 0.000 0.815 264 A HN 0.301 nan 8.150 nan 0.000 0.443 265 A N 0.032 122.845 122.820 -0.012 0.000 1.858 265 A HA -0.044 4.276 4.320 -0.001 0.000 0.216 265 A C 2.165 179.730 177.584 -0.032 0.000 1.190 265 A CA 1.498 53.522 52.037 -0.021 0.000 0.617 265 A CB -0.687 18.302 19.000 -0.019 0.000 0.827 265 A HN 0.455 nan 8.150 nan 0.000 0.443 266 L N -0.662 120.546 121.223 -0.025 0.000 2.017 266 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 266 L C 3.113 179.964 176.870 -0.032 0.000 1.073 266 L CA 1.118 55.941 54.840 -0.028 0.000 0.745 266 L CB -0.645 41.402 42.059 -0.020 0.000 0.894 266 L HN 0.445 nan 8.230 nan 0.000 0.432 267 A N 0.129 122.936 122.820 -0.022 0.000 1.948 267 A HA -0.236 4.084 4.320 -0.001 0.000 0.220 267 A C 2.401 179.973 177.584 -0.020 0.000 1.177 267 A CA 1.711 53.739 52.037 -0.015 0.000 0.636 267 A CB -0.505 18.491 19.000 -0.006 0.000 0.815 267 A HN 0.364 nan 8.150 nan 0.000 0.449 268 R N -0.963 119.511 120.500 -0.043 0.000 2.075 268 R HA -0.046 4.293 4.340 -0.001 0.000 0.232 268 R C 2.470 178.644 176.300 -0.210 0.000 1.126 268 R CA 1.315 57.329 56.100 -0.144 0.000 0.963 268 R CB -0.303 29.909 30.300 -0.147 0.000 0.858 268 R HN 0.502 nan 8.270 nan 0.000 0.435 269 R N 0.623 121.045 120.500 -0.129 0.000 2.075 269 R HA -0.066 4.274 4.340 -0.001 0.000 0.232 269 R C 2.409 178.656 176.300 -0.089 0.000 1.126 269 R CA 1.128 57.160 56.100 -0.113 0.000 0.963 269 R CB -0.394 29.862 30.300 -0.073 0.000 0.858 269 R HN 0.190 nan 8.270 nan 0.000 0.435 270 L N 0.627 121.813 121.223 -0.062 0.000 1.994 270 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 270 L C 2.409 179.259 176.870 -0.033 0.000 1.071 270 L CA 1.317 56.134 54.840 -0.038 0.000 0.745 270 L CB -0.422 41.622 42.059 -0.024 0.000 0.892 270 L HN 0.183 nan 8.230 nan 0.000 0.431 271 L N -0.541 120.666 121.223 -0.028 0.000 2.201 271 L HA -0.196 4.143 4.340 -0.001 0.000 0.212 271 L C 2.258 179.129 176.870 0.003 0.000 1.105 271 L CA 1.141 55.989 54.840 0.013 0.000 0.775 271 L CB -0.370 41.744 42.059 0.091 0.000 0.913 271 L HN 0.199 nan 8.230 nan 0.000 0.440 272 K N -0.072 120.263 120.400 -0.107 0.000 2.486 272 K HA 0.075 4.395 4.320 -0.001 0.000 0.194 272 K C 1.206 177.768 176.600 -0.063 0.000 1.033 272 K CA 0.579 56.783 56.287 -0.138 0.000 1.004 272 K CB 0.140 32.460 32.500 -0.299 0.000 0.798 272 K HN 0.366 nan 8.250 nan 0.000 0.495 273 G N 1.383 110.156 108.800 -0.044 0.000 2.143 273 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.248 273 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.248 273 G C 0.416 175.298 174.900 -0.031 0.000 0.991 273 G CA 0.572 45.658 45.100 -0.024 0.000 0.689 273 G HN 0.463 nan 8.290 nan 0.000 0.522 274 E N -0.384 119.787 120.200 -0.048 0.000 2.276 274 E HA 0.104 4.454 4.350 -0.001 0.000 0.193 274 E C 1.023 177.602 176.600 -0.034 0.000 0.983 274 E CA 0.364 56.737 56.400 -0.044 0.000 0.861 274 E CB 0.387 30.050 29.700 -0.062 0.000 0.817 274 E HN 0.625 nan 8.360 nan 0.000 0.485 275 E N 1.488 121.668 120.200 -0.034 0.000 2.081 275 E HA 0.060 4.410 4.350 -0.001 0.000 0.281 275 E C 0.076 176.666 176.600 -0.016 0.000 0.986 275 E CA -0.262 56.123 56.400 -0.025 0.000 0.796 275 E CB 0.470 30.153 29.700 -0.028 0.000 1.085 275 E HN -0.158 nan 8.360 nan 0.000 0.398 276 K N 3.023 123.416 120.400 -0.012 0.000 2.372 276 K HA 0.182 4.501 4.320 -0.001 0.000 0.200 276 K C 0.639 177.237 176.600 -0.004 0.000 1.022 276 K CA -0.144 56.139 56.287 -0.006 0.000 1.125 276 K CB 1.044 33.541 32.500 -0.005 0.000 0.855 276 K HN 0.570 nan 8.250 nan 0.000 0.524 277 G N 2.234 111.031 108.800 -0.006 0.000 2.486 277 G HA2 0.055 4.015 3.960 -0.001 0.000 0.272 277 G HA3 0.055 4.015 3.960 -0.001 0.000 0.272 277 G C -1.652 173.248 174.900 -0.001 0.000 1.426 277 G CA -0.746 44.352 45.100 -0.004 0.000 1.058 277 G HN -0.108 nan 8.290 nan 0.000 0.531 278 P HA -0.086 nan 4.420 nan 0.000 0.216 278 P C 2.139 179.440 177.300 0.001 0.000 1.150 278 P CA 0.836 63.936 63.100 0.001 0.000 0.843 278 P CB 0.050 31.750 31.700 0.000 0.000 0.787 279 L N -1.221 120.001 121.223 -0.001 0.000 2.042 279 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 279 L C 2.441 179.311 176.870 0.000 0.000 1.076 279 L CA 1.680 56.519 54.840 -0.001 0.000 0.749 279 L CB -1.149 40.907 42.059 -0.005 0.000 0.893 279 L HN -0.015 nan 8.230 nan 0.000 0.432 280 A N -0.178 122.642 122.820 -0.000 0.000 1.902 280 A HA -0.228 4.092 4.320 -0.001 0.000 0.217 280 A C 1.891 179.481 177.584 0.010 0.000 1.181 280 A CA 1.975 54.014 52.037 0.003 0.000 0.623 280 A CB -0.484 18.517 19.000 0.002 0.000 0.818 280 A HN 0.350 nan 8.150 nan 0.000 0.443 281 D N 0.101 120.506 120.400 0.009 0.000 2.117 281 D HA -0.034 4.606 4.640 -0.001 0.000 0.197 281 D C 2.231 178.540 176.300 0.015 0.000 0.987 281 D CA 1.537 55.545 54.000 0.013 0.000 0.829 281 D CB -0.452 40.354 40.800 0.010 0.000 0.961 281 D HN 0.418 nan 8.370 nan 0.000 0.460 282 A N 0.526 123.353 122.820 0.011 0.000 1.902 282 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 282 A C 2.512 180.103 177.584 0.012 0.000 1.181 282 A CA 1.160 53.203 52.037 0.010 0.000 0.623 282 A CB -0.759 18.244 19.000 0.006 0.000 0.818 282 A HN 0.140 nan 8.150 nan 0.000 0.443 283 V N -0.106 119.813 119.914 0.009 0.000 2.343 283 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 283 V C 3.055 179.156 176.094 0.012 0.000 1.051 283 V CA 1.980 64.283 62.300 0.006 0.000 1.036 283 V CB -1.191 30.633 31.823 0.001 0.000 0.654 283 V HN 0.621 nan 8.190 nan 0.000 0.451 284 A N -0.229 122.606 122.820 0.025 0.000 1.902 284 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 284 A C 2.156 179.771 177.584 0.051 0.000 1.181 284 A CA 2.034 54.099 52.037 0.047 0.000 0.623 284 A CB -0.582 18.448 19.000 0.050 0.000 0.818 284 A HN 0.454 nan 8.150 nan 0.000 0.443 285 L N -0.138 121.108 121.223 0.038 0.000 2.012 285 L HA -0.110 4.229 4.340 -0.001 0.000 0.210 285 L C 2.630 179.525 176.870 0.042 0.000 1.073 285 L CA 2.425 57.290 54.840 0.042 0.000 0.748 285 L CB -0.889 41.189 42.059 0.031 0.000 0.891 285 L HN 0.338 nan 8.230 nan 0.000 0.431 286 A N -0.614 122.221 122.820 0.025 0.000 1.873 286 A HA -0.004 4.316 4.320 -0.001 0.000 0.215 286 A C 2.444 180.018 177.584 -0.016 0.000 1.186 286 A CA 1.678 53.724 52.037 0.015 0.000 0.616 286 A CB -1.235 17.771 19.000 0.009 0.000 0.823 286 A HN 0.578 nan 8.150 nan 0.000 0.442 287 A N -0.434 122.356 122.820 -0.049 0.000 1.940 287 A HA 0.089 4.409 4.320 -0.001 0.000 0.219 287 A C 2.360 179.847 177.584 -0.162 0.000 1.176 287 A CA 1.967 53.900 52.037 -0.174 0.000 0.631 287 A CB -1.312 17.599 19.000 -0.150 0.000 0.814 287 A HN 0.727 nan 8.150 nan 0.000 0.446 288 G N -0.736 108.100 108.800 0.059 0.000 2.408 288 G HA2 0.065 4.025 3.960 -0.001 0.000 0.217 288 G HA3 0.065 4.025 3.960 -0.001 0.000 0.217 288 G C 1.660 176.681 174.900 0.202 0.000 1.150 288 G CA 1.195 46.425 45.100 0.216 0.000 0.776 288 G HN 0.787 nan 8.290 nan 0.000 0.542 289 A N 0.703 123.601 122.820 0.130 0.000 2.015 289 A HA 0.241 4.560 4.320 -0.001 0.000 0.219 289 A C 2.587 180.270 177.584 0.164 0.000 1.163 289 A CA 1.856 53.998 52.037 0.176 0.000 0.646 289 A CB -0.682 18.393 19.000 0.126 0.000 0.806 289 A HN 0.446 nan 8.150 nan 0.000 0.448 290 G N -1.146 107.673 108.800 0.033 0.000 2.394 290 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.214 290 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.214 290 G C 1.418 176.316 174.900 -0.004 0.000 1.176 290 G CA 0.856 45.924 45.100 -0.054 0.000 0.786 290 G HN 0.475 nan 8.290 nan 0.000 0.533 291 F N -0.589 119.410 119.950 0.082 0.000 2.126 291 F HA -0.091 4.436 4.527 0.000 0.000 0.299 291 F C 2.403 178.256 175.800 0.088 0.000 1.096 291 F CA 1.324 59.367 58.000 0.071 0.000 1.255 291 F CB -0.257 38.790 39.000 0.078 0.000 0.997 291 F HN 0.210 nan 8.300 nan 0.000 0.479 292 Y N 0.548 120.983 120.300 0.225 0.000 2.200 292 Y HA -0.198 4.351 4.550 -0.001 0.000 0.290 292 Y C 2.316 178.282 175.900 0.111 0.000 1.137 292 Y CA 1.166 59.353 58.100 0.144 0.000 1.163 292 Y CB -0.416 38.120 38.460 0.125 0.000 0.988 292 Y HN -0.018 nan 8.280 nan 0.000 0.518 293 A N 0.355 123.147 122.820 -0.046 0.000 1.969 293 A HA -0.052 4.268 4.320 -0.001 0.000 0.218 293 A C 2.210 179.724 177.584 -0.116 0.000 1.169 293 A CA 1.478 53.443 52.037 -0.120 0.000 0.635 293 A CB -1.241 17.779 19.000 0.032 0.000 0.810 293 A HN 0.581 nan 8.150 nan 0.000 0.445 294 A N -1.941 120.849 122.820 -0.049 0.000 2.208 294 A HA 0.401 4.720 4.320 -0.001 0.000 0.209 294 A C 1.831 179.398 177.584 -0.028 0.000 1.161 294 A CA 1.249 53.269 52.037 -0.028 0.000 0.782 294 A CB -0.816 18.194 19.000 0.016 0.000 0.816 294 A HN 1.852 nan 8.150 nan 0.000 0.477 295 G N -0.611 108.148 108.800 -0.068 0.000 2.143 295 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.249 295 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.249 295 G C 0.961 175.869 174.900 0.012 0.000 0.981 295 G CA 0.993 46.058 45.100 -0.059 0.000 0.665 295 G HN 0.519 nan 8.290 nan 0.000 0.528 296 K N 0.961 121.405 120.400 0.073 0.000 2.103 296 K HA 0.110 4.429 4.320 -0.001 0.000 0.204 296 K C 1.574 178.193 176.600 0.031 0.000 1.052 296 K CA 1.911 58.241 56.287 0.073 0.000 0.945 296 K CB -0.156 32.449 32.500 0.176 0.000 0.722 296 K HN 0.779 nan 8.250 nan 0.000 0.443 297 T N -2.051 112.559 114.554 0.094 0.000 2.863 297 T HA 0.376 4.725 4.350 -0.001 0.000 0.285 297 T C -2.136 172.673 174.700 0.181 0.000 1.009 297 T CA -1.963 60.195 62.100 0.098 0.000 0.989 297 T CB 1.836 70.771 68.868 0.112 0.000 1.004 297 T HN -0.097 nan 8.240 nan 0.000 0.455 298 P HA 0.062 nan 4.420 nan 0.000 0.234 298 P C 0.270 177.745 177.300 0.291 0.000 1.167 298 P CA 0.250 63.456 63.100 0.177 0.000 0.763 298 P CB 0.058 31.811 31.700 0.089 0.000 0.835 299 S N -2.436 113.429 115.700 0.276 0.000 2.611 299 S HA 0.315 4.785 4.470 -0.001 0.000 0.268 299 S C 0.591 175.122 174.600 -0.115 0.000 1.156 299 S CA -0.864 57.330 58.200 -0.010 0.000 0.817 299 S CB 0.445 63.601 63.200 -0.073 0.000 1.122 299 S HN -0.141 nan 8.310 nan 0.000 0.466 300 L N 1.215 122.167 121.223 -0.451 0.000 2.056 300 L HA 0.020 4.360 4.340 -0.001 0.000 0.207 300 L C 2.783 179.625 176.870 -0.047 0.000 1.078 300 L CA 1.637 56.352 54.840 -0.208 0.000 0.749 300 L CB -0.473 41.440 42.059 -0.244 0.000 0.901 300 L HN 0.887 nan 8.230 nan 0.000 0.433 301 K N 0.295 120.652 120.400 -0.072 0.000 2.009 301 K HA -0.288 4.032 4.320 -0.001 0.000 0.210 301 K C 2.120 178.723 176.600 0.006 0.000 1.049 301 K CA 2.013 58.284 56.287 -0.027 0.000 0.929 301 K CB -0.002 32.473 32.500 -0.042 0.000 0.714 301 K HN 0.070 nan 8.250 nan 0.000 0.440 302 E N -0.223 119.984 120.200 0.011 0.000 2.106 302 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 302 E C 1.793 178.419 176.600 0.043 0.000 0.984 302 E CA 1.726 58.137 56.400 0.019 0.000 0.806 302 E CB -0.578 29.133 29.700 0.018 0.000 0.750 302 E HN 0.442 nan 8.360 nan 0.000 0.458 303 G N -0.023 108.846 108.800 0.114 0.000 2.422 303 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.218 303 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.218 303 G C 1.704 176.755 174.900 0.252 0.000 1.146 303 G CA 1.035 46.276 45.100 0.235 0.000 0.769 303 G HN 0.263 nan 8.290 nan 0.000 0.547 304 V N 1.399 121.404 119.914 0.151 0.000 2.427 304 V HA -0.082 4.038 4.120 -0.001 0.000 0.248 304 V C 3.289 179.440 176.094 0.095 0.000 1.051 304 V CA 1.866 64.239 62.300 0.122 0.000 1.048 304 V CB -0.705 31.160 31.823 0.070 0.000 0.666 304 V HN 0.470 nan 8.190 nan 0.000 0.456 305 A N -0.107 122.747 122.820 0.058 0.000 1.902 305 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 305 A C 2.153 179.751 177.584 0.024 0.000 1.181 305 A CA 2.038 54.093 52.037 0.030 0.000 0.623 305 A CB -0.542 18.462 19.000 0.007 0.000 0.818 305 A HN 0.449 nan 8.150 nan 0.000 0.443 306 L N -0.402 120.822 121.223 0.002 0.000 2.093 306 L HA 0.020 4.359 4.340 -0.001 0.000 0.208 306 L C 2.616 179.529 176.870 0.072 0.000 1.085 306 L CA 1.995 56.791 54.840 -0.073 0.000 0.755 306 L CB -0.732 41.121 42.059 -0.345 0.000 0.904 306 L HN 0.330 nan 8.230 nan 0.000 0.435 307 A N -0.521 122.452 122.820 0.254 0.000 1.898 307 A HA -0.181 4.139 4.320 -0.001 0.000 0.216 307 A C 2.428 180.108 177.584 0.160 0.000 1.181 307 A CA 1.491 53.733 52.037 0.340 0.000 0.620 307 A CB -0.512 18.665 19.000 0.295 0.000 0.819 307 A HN 0.451 nan 8.150 nan 0.000 0.442 308 R N -0.279 120.283 120.500 0.104 0.000 2.091 308 R HA -0.160 4.180 4.340 -0.001 0.000 0.238 308 R C 2.099 178.429 176.300 0.050 0.000 1.136 308 R CA 1.749 57.886 56.100 0.062 0.000 0.959 308 R CB -0.339 29.987 30.300 0.043 0.000 0.856 308 R HN 0.719 nan 8.270 nan 0.000 0.437 309 E N -0.016 120.212 120.200 0.045 0.000 2.047 309 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 309 E C 2.071 178.695 176.600 0.041 0.000 0.987 309 E CA 1.298 57.715 56.400 0.030 0.000 0.799 309 E CB -0.057 29.649 29.700 0.010 0.000 0.752 309 E HN 0.066 nan 8.360 nan 0.000 0.449 310 V N 1.448 121.403 119.914 0.068 0.000 2.332 310 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 310 V C 2.297 178.432 176.094 0.068 0.000 1.055 310 V CA 1.382 63.732 62.300 0.084 0.000 1.038 310 V CB -0.411 31.510 31.823 0.163 0.000 0.651 310 V HN 0.199 nan 8.190 nan 0.000 0.450 311 L N 0.799 122.062 121.223 0.066 0.000 2.027 311 L HA -0.044 4.295 4.340 -0.001 0.000 0.206 311 L C 2.456 179.342 176.870 0.028 0.000 1.074 311 L CA 2.309 57.174 54.840 0.042 0.000 0.745 311 L CB -0.902 41.179 42.059 0.036 0.000 0.898 311 L HN 0.232 nan 8.230 nan 0.000 0.433 312 A N -1.320 121.515 122.820 0.025 0.000 2.070 312 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 312 A C 2.410 180.003 177.584 0.015 0.000 1.159 312 A CA 1.583 53.628 52.037 0.015 0.000 0.656 312 A CB -0.906 18.102 19.000 0.013 0.000 0.800 312 A HN 0.639 nan 8.150 nan 0.000 0.453 313 S N -1.813 113.901 115.700 0.023 0.000 2.489 313 S HA 0.301 4.771 4.470 -0.001 0.000 0.228 313 S C 1.616 176.234 174.600 0.030 0.000 0.995 313 S CA 1.226 59.440 58.200 0.024 0.000 0.934 313 S CB -0.458 62.758 63.200 0.027 0.000 0.771 313 S HN 1.886 nan 8.310 nan 0.000 0.522 314 G N 1.167 109.988 108.800 0.035 0.000 2.184 314 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.264 314 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.264 314 G C 0.597 175.547 174.900 0.083 0.000 0.975 314 G CA 0.521 45.653 45.100 0.053 0.000 0.642 314 G HN 0.579 nan 8.290 nan 0.000 0.536 315 E N 0.179 120.414 120.200 0.059 0.000 2.153 315 E HA 0.016 4.366 4.350 -0.001 0.000 0.194 315 E C 2.869 179.492 176.600 0.038 0.000 0.988 315 E CA 1.139 57.569 56.400 0.049 0.000 0.811 315 E CB -0.204 29.521 29.700 0.041 0.000 0.746 315 E HN 0.768 nan 8.360 nan 0.000 0.466 316 A N 0.564 123.407 122.820 0.038 0.000 1.969 316 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 316 A C 1.942 179.525 177.584 -0.001 0.000 1.169 316 A CA 1.066 53.097 52.037 -0.008 0.000 0.635 316 A CB -0.514 18.477 19.000 -0.015 0.000 0.810 316 A HN 0.365 nan 8.150 nan 0.000 0.445 317 Y N -0.117 120.146 120.300 -0.062 0.000 2.220 317 Y HA -0.064 4.485 4.550 -0.001 0.000 0.291 317 Y C 1.856 177.733 175.900 -0.038 0.000 1.129 317 Y CA 1.320 59.387 58.100 -0.055 0.000 1.161 317 Y CB -0.339 38.100 38.460 -0.035 0.000 0.997 317 Y HN 0.188 nan 8.280 nan 0.000 0.522 318 L N -0.295 120.908 121.223 -0.033 0.000 2.042 318 L HA -0.230 4.109 4.340 -0.001 0.000 0.210 318 L C 2.416 179.211 176.870 -0.126 0.000 1.076 318 L CA 1.579 56.362 54.840 -0.094 0.000 0.749 318 L CB -1.434 40.626 42.059 0.001 0.000 0.893 318 L HN 0.385 nan 8.230 nan 0.000 0.432 319 L N -1.112 120.053 121.223 -0.096 0.000 2.017 319 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 319 L C 2.346 179.144 176.870 -0.120 0.000 1.073 319 L CA 1.621 56.406 54.840 -0.091 0.000 0.745 319 L CB -0.780 41.211 42.059 -0.114 0.000 0.894 319 L HN 0.244 nan 8.230 nan 0.000 0.432 320 L N -0.016 121.080 121.223 -0.212 0.000 1.970 320 L HA -0.248 4.091 4.340 -0.001 0.000 0.212 320 L C 2.411 179.215 176.870 -0.111 0.000 1.071 320 L CA 2.081 56.804 54.840 -0.194 0.000 0.751 320 L CB -0.937 40.978 42.059 -0.241 0.000 0.889 320 L HN 0.444 nan 8.230 nan 0.000 0.432 321 E N -0.668 119.366 120.200 -0.277 0.000 2.070 321 E HA -0.271 4.078 4.350 -0.001 0.000 0.197 321 E C 2.268 178.839 176.600 -0.048 0.000 1.004 321 E CA 1.523 57.800 56.400 -0.206 0.000 0.805 321 E CB -0.245 29.271 29.700 -0.307 0.000 0.744 321 E HN 0.493 nan 8.360 nan 0.000 0.451 322 R N -0.239 120.250 120.500 -0.019 0.000 2.127 322 R HA -0.176 4.163 4.340 -0.001 0.000 0.238 322 R C 2.256 178.645 176.300 0.149 0.000 1.134 322 R CA 1.225 57.361 56.100 0.060 0.000 0.975 322 R CB -0.359 29.971 30.300 0.049 0.000 0.865 322 R HN 0.295 nan 8.270 nan 0.000 0.447 323 Y N 1.268 121.584 120.300 0.027 0.000 2.153 323 Y HA -0.201 4.348 4.550 -0.001 0.000 0.289 323 Y C 2.243 178.232 175.900 0.149 0.000 1.127 323 Y CA 1.137 59.301 58.100 0.107 0.000 1.131 323 Y CB -0.441 38.096 38.460 0.128 0.000 0.995 323 Y HN -0.276 nan 8.280 nan 0.000 0.505 324 V N 0.663 120.629 119.914 0.087 0.000 2.219 324 V HA -0.402 3.718 4.120 -0.001 0.000 0.248 324 V C 2.700 178.775 176.094 -0.032 0.000 1.053 324 V CA 2.289 64.585 62.300 -0.006 0.000 1.009 324 V CB -1.770 30.064 31.823 0.017 0.000 0.636 324 V HN 0.550 nan 8.190 nan 0.000 0.445 325 A N -0.768 122.056 122.820 0.006 0.000 1.917 325 A HA -0.297 4.022 4.320 -0.001 0.000 0.219 325 A C 2.133 179.722 177.584 0.008 0.000 1.182 325 A CA 2.323 54.362 52.037 0.004 0.000 0.633 325 A CB -0.874 18.137 19.000 0.019 0.000 0.819 325 A HN 0.547 nan 8.150 nan 0.000 0.448 326 F N 0.421 120.314 119.950 -0.096 0.000 2.161 326 F HA -0.157 4.370 4.527 -0.001 0.000 0.300 326 F C 1.867 177.587 175.800 -0.135 0.000 1.089 326 F CA 1.727 59.669 58.000 -0.097 0.000 1.282 326 F CB -0.089 38.862 39.000 -0.082 0.000 1.010 326 F HN 0.147 nan 8.300 nan 0.000 0.485 327 L N -0.553 120.636 121.223 -0.056 0.000 2.313 327 L HA -0.070 4.270 4.340 -0.001 0.000 0.214 327 L C 1.995 178.793 176.870 -0.120 0.000 1.119 327 L CA 0.877 55.648 54.840 -0.115 0.000 0.809 327 L CB -0.419 41.538 42.059 -0.169 0.000 0.933 327 L HN 0.051 nan 8.230 nan 0.000 0.449 328 R N -0.277 120.156 120.500 -0.110 0.000 2.312 328 R HA 0.245 4.585 4.340 -0.001 0.000 0.205 328 R C 0.956 177.187 176.300 -0.114 0.000 0.904 328 R CA 0.014 56.059 56.100 -0.091 0.000 1.052 328 R CB 0.278 30.542 30.300 -0.061 0.000 1.014 328 R HN 0.173 nan 8.270 nan 0.000 0.503 329 A N 0.000 122.715 122.820 -0.175 0.000 2.254 329 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 329 A CA 0.000 51.921 52.037 -0.193 0.000 0.836 329 A CB 0.000 18.826 19.000 -0.290 0.000 0.831 329 A HN 0.000 nan 8.150 nan 0.000 0.486