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 2elc_1_B 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 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 D N 2.522 122.925 120.400 0.006 0.000 2.531 2 D HA 0.288 4.928 4.640 0.000 0.000 0.239 2 D C 1.115 177.419 176.300 0.007 0.000 1.144 2 D CA 1.300 55.304 54.000 0.007 0.000 0.869 2 D CB 1.318 42.121 40.800 0.004 0.000 1.160 2 D HN 0.632 nan 8.370 nan 0.000 0.484 3 A N 3.268 126.094 122.820 0.010 0.000 1.908 3 A HA -0.157 4.163 4.320 0.000 0.000 0.218 3 A C 2.222 179.808 177.584 0.003 0.000 1.181 3 A CA 1.451 53.495 52.037 0.011 0.000 0.627 3 A CB -0.608 18.402 19.000 0.017 0.000 0.818 3 A HN 0.549 nan 8.150 nan 0.000 0.445 4 V N 0.180 120.094 119.914 -0.000 0.000 2.358 4 V HA -0.258 3.862 4.120 0.000 0.000 0.246 4 V C 2.540 178.633 176.094 -0.003 0.000 1.047 4 V CA 2.363 64.659 62.300 -0.005 0.000 1.035 4 V CB -0.631 31.189 31.823 -0.006 0.000 0.658 4 V HN 0.706 nan 8.190 nan 0.000 0.452 5 K N 0.463 120.863 120.400 -0.000 0.000 2.057 5 K HA -0.246 4.074 4.320 0.000 0.000 0.207 5 K C 2.281 178.881 176.600 0.001 0.000 1.049 5 K CA 1.818 58.105 56.287 0.001 0.000 0.931 5 K CB -0.162 32.339 32.500 0.002 0.000 0.714 5 K HN 0.379 nan 8.250 nan 0.000 0.440 6 K N 0.109 120.511 120.400 0.003 0.000 2.103 6 K HA -0.145 4.175 4.320 0.000 0.000 0.207 6 K C 1.924 178.526 176.600 0.003 0.000 1.048 6 K CA 1.281 57.571 56.287 0.005 0.000 0.930 6 K CB -0.171 32.335 32.500 0.010 0.000 0.716 6 K HN 0.242 nan 8.250 nan 0.000 0.444 7 A N 1.215 124.034 122.820 -0.002 0.000 1.877 7 A HA -0.120 4.200 4.320 0.000 0.000 0.216 7 A C 2.056 179.636 177.584 -0.007 0.000 1.186 7 A CA 1.434 53.466 52.037 -0.008 0.000 0.620 7 A CB -0.540 18.449 19.000 -0.019 0.000 0.822 7 A HN 0.346 nan 8.150 nan 0.000 0.443 8 I N -0.302 120.265 120.570 -0.005 0.000 2.361 8 I HA -0.216 3.954 4.170 0.000 0.000 0.251 8 I C 1.945 178.062 176.117 -0.000 0.000 1.133 8 I CA 0.872 62.171 61.300 -0.003 0.000 1.413 8 I CB -0.217 37.782 38.000 -0.002 0.000 1.073 8 I HN 0.265 nan 8.210 nan 0.000 0.424 9 L N 0.447 121.671 121.223 0.001 0.000 2.551 9 L HA 0.011 4.351 4.340 0.000 0.000 0.228 9 L C 1.613 178.485 176.870 0.003 0.000 1.153 9 L CA 0.784 55.625 54.840 0.002 0.000 0.851 9 L CB -0.507 41.554 42.059 0.003 0.000 0.959 9 L HN 0.538 nan 8.230 nan 0.000 0.451 10 G N 0.050 108.851 108.800 0.002 0.000 2.141 10 G HA2 -0.244 3.717 3.960 0.000 0.000 0.242 10 G HA3 -0.244 3.717 3.960 0.000 0.000 0.242 10 G C 0.042 174.946 174.900 0.007 0.000 0.982 10 G CA -0.212 44.890 45.100 0.004 0.000 0.662 10 G HN 0.430 nan 8.290 nan 0.000 0.527 11 E N -0.227 119.979 120.200 0.009 0.000 2.313 11 E HA 0.474 4.824 4.350 0.000 0.000 0.272 11 E C 0.536 177.149 176.600 0.021 0.000 1.038 11 E CA -0.744 55.665 56.400 0.014 0.000 0.863 11 E CB 1.908 31.617 29.700 0.014 0.000 1.060 11 E HN 0.094 nan 8.360 nan 0.000 0.402 12 V N 4.112 124.047 119.914 0.034 0.000 2.572 12 V HA 0.028 4.148 4.120 0.000 0.000 0.291 12 V C 0.330 176.468 176.094 0.075 0.000 1.039 12 V CA 0.022 62.356 62.300 0.057 0.000 1.055 12 V CB 0.124 31.999 31.823 0.086 0.000 0.969 12 V HN 0.468 nan 8.190 nan 0.000 0.482 13 L N 4.523 125.796 121.223 0.083 0.000 2.375 13 L HA 0.417 4.757 4.340 0.000 0.000 0.271 13 L C 0.671 177.655 176.870 0.191 0.000 1.107 13 L CA -0.405 54.491 54.840 0.093 0.000 0.806 13 L CB 0.654 42.742 42.059 0.047 0.000 1.146 13 L HN 0.631 nan 8.230 nan 0.000 0.447 14 E N 1.035 121.309 120.200 0.124 0.000 2.392 14 E HA -0.040 4.310 4.350 0.000 0.000 0.259 14 E C 0.576 177.281 176.600 0.175 0.000 1.108 14 E CA -0.200 56.266 56.400 0.111 0.000 0.916 14 E CB 0.985 30.711 29.700 0.044 0.000 0.989 14 E HN 0.579 nan 8.360 nan 0.000 0.432 15 E N 1.288 121.606 120.200 0.196 0.000 2.070 15 E HA -0.268 4.082 4.350 0.000 0.000 0.197 15 E C 1.279 177.972 176.600 0.154 0.000 1.004 15 E CA 1.357 57.900 56.400 0.239 0.000 0.805 15 E CB 0.216 30.021 29.700 0.176 0.000 0.744 15 E HN 0.376 nan 8.360 nan 0.000 0.451 16 E N 0.171 120.431 120.200 0.100 0.000 2.347 16 E HA -0.122 4.228 4.350 0.000 0.000 0.196 16 E C 1.705 178.376 176.600 0.119 0.000 1.008 16 E CA 0.580 57.037 56.400 0.095 0.000 0.852 16 E CB 0.055 29.769 29.700 0.023 0.000 0.783 16 E HN 0.447 nan 8.360 nan 0.000 0.505 17 E N 0.564 120.820 120.200 0.093 0.000 2.112 17 E HA -0.044 4.307 4.350 0.000 0.000 0.190 17 E C 2.002 178.643 176.600 0.068 0.000 0.979 17 E CA 0.767 57.210 56.400 0.072 0.000 0.814 17 E CB 0.028 29.761 29.700 0.055 0.000 0.762 17 E HN 0.157 nan 8.360 nan 0.000 0.460 18 A N 0.823 123.687 122.820 0.072 0.000 1.898 18 A HA -0.203 4.117 4.320 0.000 0.000 0.216 18 A C 2.004 179.603 177.584 0.025 0.000 1.181 18 A CA 1.157 53.206 52.037 0.020 0.000 0.620 18 A CB -0.728 18.269 19.000 -0.005 0.000 0.819 18 A HN 0.360 nan 8.150 nan 0.000 0.442 19 Y N 0.747 121.039 120.300 -0.013 0.000 2.128 19 Y HA -0.240 4.310 4.550 0.000 0.000 0.284 19 Y C 2.404 178.297 175.900 -0.011 0.000 1.154 19 Y CA 2.426 60.519 58.100 -0.012 0.000 1.149 19 Y CB -0.233 38.227 38.460 0.001 0.000 0.976 19 Y HN 0.428 nan 8.280 nan 0.000 0.505 20 E N -0.113 120.210 120.200 0.205 0.000 2.085 20 E HA -0.161 4.189 4.350 0.000 0.000 0.194 20 E C 2.115 178.721 176.600 0.010 0.000 0.994 20 E CA 1.821 58.294 56.400 0.122 0.000 0.801 20 E CB -0.693 29.071 29.700 0.106 0.000 0.743 20 E HN 0.330 nan 8.360 nan 0.000 0.453 21 V N 0.435 120.340 119.914 -0.014 0.000 2.295 21 V HA -0.254 3.866 4.120 0.000 0.000 0.246 21 V C 2.425 178.473 176.094 -0.076 0.000 1.049 21 V CA 1.996 64.271 62.300 -0.041 0.000 1.024 21 V CB -0.542 31.251 31.823 -0.049 0.000 0.648 21 V HN 0.362 nan 8.190 nan 0.000 0.447 22 M N -0.227 119.293 119.600 -0.134 0.000 2.175 22 M HA -0.067 4.413 4.480 0.000 0.000 0.264 22 M C 2.163 178.371 176.300 -0.154 0.000 1.063 22 M CA 1.538 56.742 55.300 -0.159 0.000 1.119 22 M CB -1.079 31.375 32.600 -0.243 0.000 1.377 22 M HN 0.201 nan 8.290 nan 0.000 0.415 23 R N -0.389 119.980 120.500 -0.219 0.000 2.073 23 R HA -0.133 4.207 4.340 0.000 0.000 0.234 23 R C 1.931 178.193 176.300 -0.064 0.000 1.134 23 R CA 1.781 57.788 56.100 -0.156 0.000 0.952 23 R CB -0.461 29.790 30.300 -0.082 0.000 0.850 23 R HN 0.403 nan 8.270 nan 0.000 0.433 24 A N 1.258 124.051 122.820 -0.046 0.000 1.902 24 A HA -0.144 4.176 4.320 0.000 0.000 0.217 24 A C 2.288 179.838 177.584 -0.056 0.000 1.181 24 A CA 1.272 53.285 52.037 -0.040 0.000 0.623 24 A CB -0.571 18.413 19.000 -0.026 0.000 0.818 24 A HN 0.354 nan 8.150 nan 0.000 0.443 25 L N -1.089 120.115 121.223 -0.032 0.000 2.017 25 L HA -0.213 4.127 4.340 0.000 0.000 0.208 25 L C 2.731 179.590 176.870 -0.018 0.000 1.073 25 L CA 1.289 56.130 54.840 0.001 0.000 0.745 25 L CB -0.426 41.690 42.059 0.095 0.000 0.894 25 L HN 0.338 nan 8.230 nan 0.000 0.432 26 M N -0.884 118.721 119.600 0.008 0.000 2.374 26 M HA -0.071 4.409 4.480 0.000 0.000 0.264 26 M C 2.145 178.437 176.300 -0.014 0.000 1.067 26 M CA 1.245 56.571 55.300 0.044 0.000 1.103 26 M CB -1.140 31.488 32.600 0.047 0.000 1.402 26 M HN 0.259 nan 8.290 nan 0.000 0.444 27 A N -0.557 122.204 122.820 -0.098 0.000 2.251 27 A HA 0.425 4.745 4.320 0.000 0.000 0.209 27 A C 1.610 179.002 177.584 -0.320 0.000 1.187 27 A CA 0.758 52.718 52.037 -0.128 0.000 0.823 27 A CB -0.702 18.259 19.000 -0.065 0.000 0.846 27 A HN 0.606 nan 8.150 nan 0.000 0.486 28 G N -0.320 108.124 108.800 -0.593 0.000 2.176 28 G HA2 -0.275 3.685 3.960 0.000 0.000 0.252 28 G HA3 -0.275 3.685 3.960 0.000 0.000 0.252 28 G C 0.352 175.081 174.900 -0.286 0.000 1.024 28 G CA 0.652 45.298 45.100 -0.757 0.000 0.755 28 G HN 0.632 nan 8.290 nan 0.000 0.507 29 E N -1.165 118.927 120.200 -0.180 0.000 2.474 29 E HA 0.240 4.590 4.350 0.000 0.000 0.194 29 E C 0.747 177.310 176.600 -0.062 0.000 1.041 29 E CA 0.252 56.596 56.400 -0.093 0.000 0.874 29 E CB 0.749 30.410 29.700 -0.064 0.000 0.914 29 E HN 0.403 nan 8.360 nan 0.000 0.498 30 V N 2.165 122.041 119.914 -0.063 0.000 2.427 30 V HA 0.128 4.248 4.120 0.000 0.000 0.286 30 V C 0.368 176.449 176.094 -0.021 0.000 1.034 30 V CA -0.911 61.370 62.300 -0.031 0.000 0.893 30 V CB 1.550 33.363 31.823 -0.016 0.000 0.982 30 V HN 0.150 nan 8.190 nan 0.000 0.452 31 S N 4.741 120.434 115.700 -0.011 0.000 2.579 31 S HA 0.247 4.717 4.470 0.000 0.000 0.275 31 S C -1.704 172.898 174.600 0.004 0.000 1.345 31 S CA -0.748 57.450 58.200 -0.004 0.000 1.031 31 S CB 0.937 64.135 63.200 -0.003 0.000 0.892 31 S HN 0.547 nan 8.310 nan 0.000 0.529 32 P HA -0.103 nan 4.420 nan 0.000 0.216 32 P C 1.569 178.875 177.300 0.010 0.000 1.153 32 P CA 0.718 63.824 63.100 0.010 0.000 0.858 32 P CB -0.090 31.614 31.700 0.007 0.000 0.789 33 V N -0.205 119.712 119.914 0.006 0.000 2.295 33 V HA -0.242 3.878 4.120 0.000 0.000 0.246 33 V C 2.440 178.538 176.094 0.007 0.000 1.049 33 V CA 1.847 64.150 62.300 0.006 0.000 1.024 33 V CB -0.893 30.932 31.823 0.003 0.000 0.648 33 V HN 0.085 nan 8.190 nan 0.000 0.447 34 R N -0.089 120.414 120.500 0.006 0.000 2.115 34 R HA -0.035 4.305 4.340 0.000 0.000 0.230 34 R C 2.395 178.701 176.300 0.010 0.000 1.111 34 R CA 1.257 57.360 56.100 0.005 0.000 0.976 34 R CB -0.505 29.795 30.300 0.001 0.000 0.870 34 R HN 0.533 nan 8.270 nan 0.000 0.445 35 A N 1.486 124.317 122.820 0.017 0.000 1.898 35 A HA -0.088 4.232 4.320 0.000 0.000 0.216 35 A C 2.392 179.998 177.584 0.037 0.000 1.181 35 A CA 1.605 53.663 52.037 0.036 0.000 0.620 35 A CB -0.581 18.449 19.000 0.050 0.000 0.819 35 A HN 0.367 nan 8.150 nan 0.000 0.442 36 A N -0.424 122.412 122.820 0.027 0.000 1.877 36 A HA 0.109 4.429 4.320 0.000 0.000 0.216 36 A C 2.428 180.021 177.584 0.014 0.000 1.186 36 A CA 2.001 54.051 52.037 0.022 0.000 0.620 36 A CB -1.429 17.579 19.000 0.013 0.000 0.822 36 A HN 0.725 nan 8.150 nan 0.000 0.443 37 G N 0.465 109.270 108.800 0.009 0.000 2.421 37 G HA2 -0.116 3.844 3.960 0.000 0.000 0.216 37 G HA3 -0.116 3.844 3.960 0.000 0.000 0.216 37 G C 1.474 176.374 174.900 0.001 0.000 1.171 37 G CA 1.364 46.467 45.100 0.005 0.000 0.775 37 G HN 0.884 nan 8.290 nan 0.000 0.543 38 L N -0.746 120.476 121.223 -0.001 0.000 2.217 38 L HA 0.294 4.634 4.340 0.000 0.000 0.211 38 L C 2.438 179.295 176.870 -0.022 0.000 1.107 38 L CA 1.089 55.922 54.840 -0.012 0.000 0.783 38 L CB -0.614 41.435 42.059 -0.016 0.000 0.919 38 L HN 0.112 nan 8.230 nan 0.000 0.442 39 L N -0.639 120.577 121.223 -0.011 0.000 2.056 39 L HA -0.118 4.222 4.340 0.000 0.000 0.207 39 L C 2.580 179.440 176.870 -0.017 0.000 1.078 39 L CA 0.798 55.626 54.840 -0.021 0.000 0.749 39 L CB -0.530 41.546 42.059 0.027 0.000 0.901 39 L HN 0.175 nan 8.230 nan 0.000 0.433 40 V N -0.061 119.850 119.914 -0.004 0.000 2.358 40 V HA -0.250 3.870 4.120 0.000 0.000 0.246 40 V C 2.724 178.817 176.094 -0.002 0.000 1.047 40 V CA 1.707 64.006 62.300 -0.001 0.000 1.035 40 V CB -0.729 31.096 31.823 0.003 0.000 0.658 40 V HN 0.462 nan 8.190 nan 0.000 0.452 41 A N -0.234 122.583 122.820 -0.005 0.000 1.877 41 A HA -0.181 4.139 4.320 0.000 0.000 0.216 41 A C 2.117 179.698 177.584 -0.005 0.000 1.186 41 A CA 1.843 53.877 52.037 -0.004 0.000 0.620 41 A CB -0.599 18.398 19.000 -0.005 0.000 0.822 41 A HN 0.415 nan 8.150 nan 0.000 0.443 42 L N -0.396 120.816 121.223 -0.019 0.000 2.046 42 L HA -0.131 4.209 4.340 0.000 0.000 0.208 42 L C 2.861 179.732 176.870 0.002 0.000 1.077 42 L CA 2.173 56.998 54.840 -0.024 0.000 0.747 42 L CB -0.721 41.300 42.059 -0.064 0.000 0.896 42 L HN 0.426 nan 8.230 nan 0.000 0.432 43 S N -1.110 114.591 115.700 0.002 0.000 2.368 43 S HA -0.101 4.369 4.470 0.000 0.000 0.224 43 S C 2.018 176.652 174.600 0.057 0.000 1.029 43 S CA 0.989 59.210 58.200 0.036 0.000 0.988 43 S CB -0.163 63.045 63.200 0.013 0.000 0.838 43 S HN 0.333 nan 8.310 nan 0.000 0.462 44 L N 0.954 122.196 121.223 0.032 0.000 2.027 44 L HA -0.074 4.267 4.340 0.000 0.000 0.206 44 L C 2.556 179.441 176.870 0.025 0.000 1.074 44 L CA 1.680 56.537 54.840 0.028 0.000 0.745 44 L CB -0.439 41.630 42.059 0.017 0.000 0.898 44 L HN 0.399 nan 8.230 nan 0.000 0.433 45 R N 0.439 120.951 120.500 0.020 0.000 2.310 45 R HA 0.283 4.623 4.340 0.000 0.000 0.202 45 R C 0.448 176.758 176.300 0.017 0.000 0.933 45 R CA 0.579 56.687 56.100 0.013 0.000 1.054 45 R CB -0.312 29.993 30.300 0.009 0.000 0.985 45 R HN 0.144 nan 8.270 nan 0.000 0.489 46 G N 1.108 109.934 108.800 0.042 0.000 3.409 46 G HA2 -0.162 3.798 3.960 0.000 0.000 0.686 46 G HA3 -0.162 3.798 3.960 0.000 0.000 0.686 46 G C -1.365 173.578 174.900 0.072 0.000 1.017 46 G CA -0.761 44.379 45.100 0.067 0.000 0.854 46 G HN 0.270 nan 8.290 nan 0.000 0.508 47 E N 2.073 122.361 120.200 0.146 0.000 2.360 47 E HA 0.458 4.808 4.350 0.000 0.000 0.269 47 E C 0.956 177.594 176.600 0.062 0.000 1.022 47 E CA -0.172 56.270 56.400 0.069 0.000 0.887 47 E CB 0.652 30.379 29.700 0.045 0.000 0.990 47 E HN 0.494 nan 8.360 nan 0.000 0.426 48 R N 3.739 124.205 120.500 -0.056 0.000 2.536 48 R HA 0.220 4.560 4.340 0.000 0.000 0.279 48 R C -1.853 174.374 176.300 -0.122 0.000 1.001 48 R CA -2.370 53.693 56.100 -0.063 0.000 1.027 48 R CB -0.132 30.135 30.300 -0.056 0.000 1.096 48 R HN 0.341 nan 8.270 nan 0.000 0.502 49 P HA -0.204 nan 4.420 nan 0.000 0.216 49 P C 1.074 178.361 177.300 -0.023 0.000 1.154 49 P CA 1.559 64.665 63.100 0.010 0.000 0.865 49 P CB -0.085 31.653 31.700 0.063 0.000 0.789 50 H N -0.761 118.320 119.070 0.017 0.000 2.495 50 H HA 0.061 4.617 4.556 0.000 0.000 0.287 50 H C 1.340 176.676 175.328 0.014 0.000 1.033 50 H CA 0.997 57.054 56.048 0.015 0.000 1.307 50 H CB -0.549 29.221 29.762 0.013 0.000 1.401 50 H HN 0.231 nan 8.280 nan 0.000 0.555 51 E N 0.934 120.703 120.200 -0.719 0.000 2.076 51 E HA -0.003 4.347 4.350 0.000 0.000 0.190 51 E C 2.462 178.946 176.600 -0.194 0.000 0.979 51 E CA 0.777 56.940 56.400 -0.395 0.000 0.807 51 E CB 0.204 29.659 29.700 -0.409 0.000 0.761 51 E HN 0.407 nan 8.360 nan 0.000 0.454 52 I N 1.536 122.001 120.570 -0.175 0.000 2.163 52 I HA -0.296 3.874 4.170 0.000 0.000 0.243 52 I C 2.611 178.672 176.117 -0.093 0.000 1.085 52 I CA 1.154 62.378 61.300 -0.128 0.000 1.347 52 I CB -0.362 37.585 38.000 -0.089 0.000 1.044 52 I HN 0.081 nan 8.210 nan 0.000 0.408 53 A N 0.683 123.472 122.820 -0.052 0.000 1.902 53 A HA -0.167 4.153 4.320 0.000 0.000 0.217 53 A C 2.538 180.130 177.584 0.013 0.000 1.181 53 A CA 1.923 53.950 52.037 -0.017 0.000 0.623 53 A CB -0.872 18.137 19.000 0.015 0.000 0.818 53 A HN 0.448 nan 8.150 nan 0.000 0.443 54 A N -0.596 122.245 122.820 0.035 0.000 1.902 54 A HA -0.108 4.212 4.320 0.000 0.000 0.217 54 A C 2.251 179.855 177.584 0.033 0.000 1.181 54 A CA 1.783 53.889 52.037 0.115 0.000 0.623 54 A CB -0.523 18.564 19.000 0.146 0.000 0.818 54 A HN 0.529 nan 8.150 nan 0.000 0.443 55 M N -0.696 118.859 119.600 -0.076 0.000 2.229 55 M HA -0.089 4.391 4.480 0.000 0.000 0.264 55 M C 2.464 178.673 176.300 -0.151 0.000 1.063 55 M CA 1.133 56.330 55.300 -0.171 0.000 1.114 55 M CB -0.369 32.105 32.600 -0.209 0.000 1.387 55 M HN 0.498 nan 8.290 nan 0.000 0.420 56 A N 0.665 123.427 122.820 -0.095 0.000 1.930 56 A HA -0.129 4.191 4.320 0.000 0.000 0.217 56 A C 2.174 179.742 177.584 -0.027 0.000 1.175 56 A CA 1.316 53.314 52.037 -0.066 0.000 0.627 56 A CB -0.508 18.457 19.000 -0.059 0.000 0.815 56 A HN 0.413 nan 8.150 nan 0.000 0.443 57 R N -0.551 119.961 120.500 0.019 0.000 2.092 57 R HA -0.063 4.277 4.340 0.000 0.000 0.231 57 R C 2.469 178.807 176.300 0.065 0.000 1.119 57 R CA 1.151 57.315 56.100 0.106 0.000 0.970 57 R CB -0.450 29.994 30.300 0.239 0.000 0.864 57 R HN 0.510 nan 8.270 nan 0.000 0.440 58 A N 1.058 123.741 122.820 -0.230 0.000 1.933 58 A HA -0.177 4.143 4.320 0.000 0.000 0.218 58 A C 2.135 179.604 177.584 -0.192 0.000 1.175 58 A CA 1.264 52.962 52.037 -0.565 0.000 0.628 58 A CB -0.381 18.004 19.000 -1.025 0.000 0.814 58 A HN 0.259 nan 8.150 nan 0.000 0.444 59 M N -0.965 118.568 119.600 -0.112 0.000 2.132 59 M HA -0.115 4.365 4.480 0.000 0.000 0.263 59 M C 2.266 178.599 176.300 0.056 0.000 1.065 59 M CA 1.355 56.647 55.300 -0.013 0.000 1.122 59 M CB -0.097 32.495 32.600 -0.012 0.000 1.365 59 M HN 0.364 nan 8.290 nan 0.000 0.411 60 R N -0.396 120.134 120.500 0.050 0.000 2.096 60 R HA -0.191 4.149 4.340 0.000 0.000 0.235 60 R C 2.009 178.359 176.300 0.083 0.000 1.127 60 R CA 1.540 57.690 56.100 0.083 0.000 0.968 60 R CB -0.351 29.982 30.300 0.056 0.000 0.861 60 R HN 0.338 nan 8.270 nan 0.000 0.440 61 E N 0.748 120.995 120.200 0.077 0.000 2.150 61 E HA -0.077 4.273 4.350 0.000 0.000 0.193 61 E C 1.527 178.173 176.600 0.077 0.000 0.985 61 E CA 1.329 57.782 56.400 0.088 0.000 0.814 61 E CB -0.007 29.773 29.700 0.133 0.000 0.752 61 E HN 0.333 nan 8.360 nan 0.000 0.466 62 A N -0.079 122.785 122.820 0.074 0.000 2.169 62 A HA 0.426 4.746 4.320 0.000 0.000 0.212 62 A C 1.256 178.900 177.584 0.100 0.000 1.153 62 A CA 0.617 52.701 52.037 0.079 0.000 0.756 62 A CB -0.404 18.640 19.000 0.075 0.000 0.813 62 A HN 0.289 nan 8.150 nan 0.000 0.471 63 A N 0.153 123.047 122.820 0.124 0.000 2.313 63 A HA 0.521 4.841 4.320 0.000 0.000 0.261 63 A C 0.392 178.015 177.584 0.064 0.000 1.090 63 A CA -0.614 51.492 52.037 0.114 0.000 0.807 63 A CB 0.127 19.200 19.000 0.122 0.000 1.055 63 A HN 0.507 nan 8.150 nan 0.000 0.492 64 R N 1.369 121.893 120.500 0.039 0.000 2.489 64 R HA 0.212 4.552 4.340 0.000 0.000 0.287 64 R C -2.214 174.146 176.300 0.100 0.000 1.053 64 R CA -1.062 55.048 56.100 0.016 0.000 1.036 64 R CB -0.034 30.194 30.300 -0.119 0.000 0.966 64 R HN 0.563 nan 8.270 nan 0.000 0.432 65 P HA 0.038 nan 4.420 nan 0.000 0.269 65 P C -0.989 176.366 177.300 0.091 0.000 1.209 65 P CA -0.153 62.984 63.100 0.062 0.000 0.776 65 P CB 0.846 32.565 31.700 0.032 0.000 0.876 66 L N 2.051 123.309 121.223 0.059 0.000 2.676 66 L HA 0.437 4.777 4.340 0.000 0.000 0.262 66 L C -1.010 175.836 176.870 -0.040 0.000 0.932 66 L CA -0.498 54.370 54.840 0.046 0.000 0.932 66 L CB 1.797 43.925 42.059 0.114 0.000 1.355 66 L HN 0.380 nan 8.230 nan 0.000 0.421 67 R N 4.248 124.705 120.500 -0.071 0.000 2.437 67 R HA 0.854 5.194 4.340 0.000 0.000 0.310 67 R C -1.796 174.371 176.300 -0.221 0.000 0.955 67 R CA -0.569 55.440 56.100 -0.151 0.000 0.851 67 R CB 1.730 31.924 30.300 -0.176 0.000 1.161 67 R HN 0.523 nan 8.270 nan 0.000 0.446 68 V N 4.972 124.756 119.914 -0.216 0.000 2.448 68 V HA 0.223 4.343 4.120 0.000 0.000 0.295 68 V C 0.620 176.600 176.094 -0.190 0.000 1.025 68 V CA -0.711 61.479 62.300 -0.183 0.000 0.859 68 V CB 1.508 33.263 31.823 -0.114 0.000 0.988 68 V HN 0.870 nan 8.190 nan 0.000 0.431 69 H N 2.991 122.056 119.070 -0.008 0.000 2.470 69 H HA 0.167 4.723 4.556 0.000 0.000 0.289 69 H C 0.973 176.295 175.328 -0.010 0.000 1.033 69 H CA 0.467 56.512 56.048 -0.005 0.000 1.331 69 H CB 0.418 30.181 29.762 0.003 0.000 1.414 69 H HN 0.461 nan 8.280 nan 0.000 0.545 70 R N 1.829 122.385 120.500 0.093 0.000 2.489 70 R HA 0.213 4.553 4.340 0.000 0.000 0.287 70 R C 0.093 176.402 176.300 0.015 0.000 1.053 70 R CA 0.160 56.287 56.100 0.046 0.000 1.036 70 R CB 0.821 31.135 30.300 0.023 0.000 0.966 70 R HN 0.008 nan 8.270 nan 0.000 0.432 71 R N 2.414 122.923 120.500 0.016 0.000 2.626 71 R HA 0.338 4.678 4.340 0.000 0.000 0.274 71 R C -2.479 173.824 176.300 0.005 0.000 1.031 71 R CA -2.007 54.094 56.100 0.002 0.000 0.898 71 R CB 1.267 31.573 30.300 0.010 0.000 1.222 71 R HN 0.518 nan 8.270 nan 0.000 0.455 72 P HA 0.263 nan 4.420 nan 0.000 0.272 72 P C -0.948 176.328 177.300 -0.041 0.000 1.223 72 P CA -0.638 62.449 63.100 -0.021 0.000 0.784 72 P CB 0.528 32.217 31.700 -0.018 0.000 0.923 73 L N 2.743 123.919 121.223 -0.077 0.000 2.343 73 L HA 0.473 4.813 4.340 0.000 0.000 0.278 73 L C -1.240 175.511 176.870 -0.198 0.000 0.996 73 L CA -0.799 53.970 54.840 -0.117 0.000 0.831 73 L CB 1.193 43.181 42.059 -0.119 0.000 1.232 73 L HN 0.223 nan 8.230 nan 0.000 0.413 74 L N 4.568 125.676 121.223 -0.192 0.000 2.325 74 L HA 0.696 5.036 4.340 0.000 0.000 0.279 74 L C -1.047 175.650 176.870 -0.289 0.000 1.054 74 L CA 0.284 54.971 54.840 -0.255 0.000 0.804 74 L CB 1.460 43.427 42.059 -0.155 0.000 1.200 74 L HN 0.688 nan 8.230 nan 0.000 0.436 75 D N 3.790 123.950 120.400 -0.399 0.000 2.738 75 D HA 0.467 5.107 4.640 0.000 0.000 0.237 75 D C -1.314 174.930 176.300 -0.093 0.000 1.123 75 D CA -0.136 53.717 54.000 -0.244 0.000 0.856 75 D CB 1.659 42.295 40.800 -0.273 0.000 1.552 75 D HN 0.491 nan 8.370 nan 0.000 0.480 76 I N 3.312 123.890 120.570 0.013 0.000 2.411 76 I HA 0.480 4.650 4.170 0.000 0.000 0.284 76 I C -0.567 175.613 176.117 0.104 0.000 1.012 76 I CA -0.901 60.434 61.300 0.059 0.000 1.119 76 I CB 1.765 39.782 38.000 0.028 0.000 1.261 76 I HN 0.096 nan 8.210 nan 0.000 0.448 77 V N 4.980 124.975 119.914 0.135 0.000 3.232 77 V HA 0.941 5.061 4.120 0.000 0.000 0.303 77 V C -0.885 175.273 176.094 0.106 0.000 1.311 77 V CA -0.160 62.218 62.300 0.129 0.000 1.061 77 V CB 2.460 34.384 31.823 0.167 0.000 1.085 77 V HN 0.761 nan 8.190 nan 0.000 0.447 78 G N 0.284 109.131 108.800 0.077 0.000 2.733 78 G HA2 0.505 4.465 3.960 0.000 0.000 0.288 78 G HA3 0.505 4.465 3.960 0.000 0.000 0.288 78 G C 0.510 175.430 174.900 0.034 0.000 1.373 78 G CA 0.359 45.498 45.100 0.065 0.000 0.895 78 G HN 1.345 nan 8.290 nan 0.000 0.479 79 T N -2.238 112.334 114.554 0.030 0.000 3.085 79 T HA 0.403 4.754 4.350 0.000 0.000 0.263 79 T C 1.492 176.191 174.700 -0.003 0.000 1.127 79 T CA 1.192 63.282 62.100 -0.017 0.000 1.103 79 T CB -0.561 68.275 68.868 -0.055 0.000 0.921 79 T HN 2.388 nan 8.240 nan 0.000 0.510 80 G N 0.518 109.348 108.800 0.050 0.000 2.877 80 G HA2 0.276 4.236 3.960 0.000 0.000 0.279 80 G HA3 0.276 4.236 3.960 0.000 0.000 0.279 80 G C 0.693 175.644 174.900 0.085 0.000 1.431 80 G CA -0.084 45.052 45.100 0.060 0.000 0.883 80 G HN 1.682 nan 8.290 nan 0.000 0.547 81 G N -1.123 107.726 108.800 0.082 0.000 2.143 81 G HA2 -0.072 3.888 3.960 0.000 0.000 0.248 81 G HA3 -0.072 3.888 3.960 0.000 0.000 0.248 81 G C 0.811 175.858 174.900 0.246 0.000 0.991 81 G CA 1.324 46.481 45.100 0.095 0.000 0.689 81 G HN 2.311 nan 8.290 nan 0.000 0.522 82 D N -0.181 120.374 120.400 0.259 0.000 2.363 82 D HA 0.320 4.960 4.640 0.000 0.000 0.220 82 D C 1.845 178.244 176.300 0.165 0.000 0.994 82 D CA 0.753 54.920 54.000 0.278 0.000 0.890 82 D CB -0.785 40.108 40.800 0.154 0.000 0.906 82 D HN 1.580 nan 8.370 nan 0.000 0.530 83 G N 0.846 109.722 108.800 0.127 0.000 2.249 83 G HA2 -0.325 3.635 3.960 0.000 0.000 0.273 83 G HA3 -0.325 3.635 3.960 0.000 0.000 0.273 83 G C 0.956 175.889 174.900 0.056 0.000 1.036 83 G CA 0.512 45.664 45.100 0.086 0.000 0.824 83 G HN 0.326 nan 8.290 nan 0.000 0.504 84 K N -0.059 120.368 120.400 0.045 0.000 2.352 84 K HA 0.253 4.573 4.320 0.000 0.000 0.194 84 K C 1.809 178.420 176.600 0.019 0.000 1.038 84 K CA 0.652 56.953 56.287 0.023 0.000 1.023 84 K CB 0.059 32.564 32.500 0.008 0.000 0.840 84 K HN 1.434 nan 8.250 nan 0.000 0.519 85 G N 2.746 111.562 108.800 0.025 0.000 2.338 85 G HA2 -0.258 3.702 3.960 0.000 0.000 0.296 85 G HA3 -0.258 3.702 3.960 0.000 0.000 0.296 85 G C 0.023 174.932 174.900 0.013 0.000 1.040 85 G CA 0.236 45.348 45.100 0.020 0.000 1.004 85 G HN 0.165 nan 8.290 nan 0.000 0.509 86 L N -1.000 120.231 121.223 0.013 0.000 2.439 86 L HA 0.639 4.979 4.340 0.000 0.000 0.259 86 L C 1.231 178.106 176.870 0.008 0.000 1.129 86 L CA -1.352 53.493 54.840 0.007 0.000 0.803 86 L CB 0.684 42.746 42.059 0.004 0.000 1.161 86 L HN 0.348 nan 8.230 nan 0.000 0.462 87 M N 1.543 121.144 119.600 0.003 0.000 2.219 87 M HA -0.017 4.464 4.480 0.000 0.000 0.307 87 M C 0.046 176.349 176.300 0.004 0.000 1.116 87 M CA 0.340 55.640 55.300 0.001 0.000 1.181 87 M CB -0.112 32.486 32.600 -0.004 0.000 1.410 87 M HN 0.374 nan 8.290 nan 0.000 0.454 88 N N 3.691 122.391 118.700 0.001 0.000 3.103 88 N HA 0.151 4.891 4.740 0.000 0.000 0.305 88 N C 0.422 175.936 175.510 0.006 0.000 1.232 88 N CA -0.081 52.973 53.050 0.007 0.000 1.190 88 N CB -0.511 37.972 38.487 -0.006 0.000 1.461 88 N HN 0.589 nan 8.380 nan 0.000 0.538 89 L N -0.130 121.098 121.223 0.009 0.000 2.079 89 L HA -0.228 4.112 4.340 0.000 0.000 0.210 89 L C 2.423 179.300 176.870 0.012 0.000 1.081 89 L CA 1.136 55.980 54.840 0.006 0.000 0.752 89 L CB -0.538 41.524 42.059 0.005 0.000 0.896 89 L HN 0.523 nan 8.230 nan 0.000 0.433 90 S N -1.672 114.046 115.700 0.029 0.000 2.402 90 S HA -0.158 4.312 4.470 0.000 0.000 0.229 90 S C 1.923 176.557 174.600 0.056 0.000 1.021 90 S CA 1.503 59.729 58.200 0.042 0.000 0.974 90 S CB -0.701 62.537 63.200 0.064 0.000 0.800 90 S HN 0.354 nan 8.310 nan 0.000 0.484 91 T N 3.155 117.743 114.554 0.056 0.000 2.777 91 T HA 0.147 4.497 4.350 0.000 0.000 0.266 91 T C 1.729 176.437 174.700 0.014 0.000 1.040 91 T CA 1.409 63.548 62.100 0.065 0.000 1.141 91 T CB -0.482 68.393 68.868 0.010 0.000 0.868 91 T HN 0.328 nan 8.240 nan 0.000 0.444 92 L N 0.806 122.020 121.223 -0.015 0.000 2.093 92 L HA -0.021 4.319 4.340 0.000 0.000 0.208 92 L C 3.086 179.929 176.870 -0.045 0.000 1.085 92 L CA 1.137 55.952 54.840 -0.041 0.000 0.755 92 L CB -0.769 41.274 42.059 -0.028 0.000 0.904 92 L HN 0.234 nan 8.230 nan 0.000 0.435 93 A N 0.282 123.085 122.820 -0.029 0.000 1.933 93 A HA -0.137 4.184 4.320 0.000 0.000 0.218 93 A C 2.549 180.088 177.584 -0.075 0.000 1.175 93 A CA 1.676 53.681 52.037 -0.053 0.000 0.628 93 A CB -0.566 18.409 19.000 -0.041 0.000 0.814 93 A HN 0.398 nan 8.150 nan 0.000 0.444 94 A N -0.343 122.472 122.820 -0.008 0.000 1.898 94 A HA 0.003 4.323 4.320 0.000 0.000 0.216 94 A C 2.148 179.757 177.584 0.042 0.000 1.181 94 A CA 1.406 53.478 52.037 0.059 0.000 0.620 94 A CB -0.536 18.593 19.000 0.216 0.000 0.819 94 A HN 0.462 nan 8.150 nan 0.000 0.442 95 L N -0.620 120.539 121.223 -0.107 0.000 2.093 95 L HA -0.143 4.197 4.340 0.000 0.000 0.208 95 L C 2.513 179.285 176.870 -0.164 0.000 1.085 95 L CA 0.877 55.513 54.840 -0.340 0.000 0.755 95 L CB -0.425 41.377 42.059 -0.429 0.000 0.904 95 L HN 0.245 nan 8.230 nan 0.000 0.435 96 V N -0.032 119.822 119.914 -0.102 0.000 2.295 96 V HA -0.290 3.830 4.120 0.000 0.000 0.246 96 V C 2.736 178.811 176.094 -0.031 0.000 1.049 96 V CA 1.810 64.086 62.300 -0.040 0.000 1.024 96 V CB -0.848 30.957 31.823 -0.029 0.000 0.648 96 V HN 0.485 nan 8.190 nan 0.000 0.447 97 A N -0.051 122.642 122.820 -0.211 0.000 1.933 97 A HA -0.130 4.190 4.320 0.000 0.000 0.218 97 A C 2.402 179.999 177.584 0.022 0.000 1.175 97 A CA 2.129 53.938 52.037 -0.379 0.000 0.628 97 A CB -0.726 17.987 19.000 -0.478 0.000 0.814 97 A HN 0.576 nan 8.150 nan 0.000 0.444 98 A N -0.262 122.579 122.820 0.035 0.000 1.930 98 A HA 0.225 4.545 4.320 0.000 0.000 0.217 98 A C 2.432 180.066 177.584 0.083 0.000 1.175 98 A CA 1.805 53.896 52.037 0.090 0.000 0.627 98 A CB -0.889 18.197 19.000 0.144 0.000 0.815 98 A HN 1.070 nan 8.150 nan 0.000 0.443 99 A N -0.674 122.180 122.820 0.056 0.000 2.067 99 A HA 0.202 4.522 4.320 0.000 0.000 0.219 99 A C 2.085 179.739 177.584 0.118 0.000 1.158 99 A CA 1.512 53.584 52.037 0.059 0.000 0.661 99 A CB -0.873 18.148 19.000 0.033 0.000 0.801 99 A HN 0.731 nan 8.150 nan 0.000 0.452 100 G N -2.202 106.738 108.800 0.233 0.000 2.985 100 G HA2 0.373 4.333 3.960 0.000 0.000 0.209 100 G HA3 0.373 4.333 3.960 0.000 0.000 0.209 100 G C 1.052 176.060 174.900 0.181 0.000 1.165 100 G CA 0.513 45.773 45.100 0.266 0.000 0.776 100 G HN 1.566 nan 8.290 nan 0.000 0.541 101 G N -1.404 107.493 108.800 0.162 0.000 2.184 101 G HA2 -0.217 3.743 3.960 0.000 0.000 0.206 101 G HA3 -0.217 3.743 3.960 0.000 0.000 0.206 101 G C 0.146 175.118 174.900 0.119 0.000 0.995 101 G CA 0.019 45.183 45.100 0.108 0.000 0.651 101 G HN 0.615 nan 8.290 nan 0.000 0.511 102 V N 1.778 121.798 119.914 0.176 0.000 2.465 102 V HA 0.708 4.828 4.120 0.000 0.000 0.279 102 V C 1.044 177.177 176.094 0.066 0.000 1.045 102 V CA -0.184 62.191 62.300 0.125 0.000 0.938 102 V CB 1.415 33.331 31.823 0.155 0.000 0.986 102 V HN 1.103 nan 8.190 nan 0.000 0.467 103 A N 5.280 128.117 122.820 0.029 0.000 2.492 103 A HA 0.551 4.871 4.320 0.000 0.000 0.254 103 A C -0.320 177.242 177.584 -0.037 0.000 1.091 103 A CA -0.036 52.001 52.037 -0.001 0.000 0.768 103 A CB 0.156 19.146 19.000 -0.016 0.000 1.028 103 A HN 0.696 nan 8.150 nan 0.000 0.498 104 V N 1.592 121.478 119.914 -0.047 0.000 2.656 104 V HA 0.703 4.823 4.120 0.000 0.000 0.307 104 V C 0.184 176.121 176.094 -0.261 0.000 1.051 104 V CA -0.020 62.218 62.300 -0.103 0.000 0.893 104 V CB 1.860 33.706 31.823 0.037 0.000 0.999 104 V HN 1.258 nan 8.190 nan 0.000 0.426 105 A N 4.033 126.687 122.820 -0.276 0.000 2.763 105 A HA 0.543 4.863 4.320 0.000 0.000 0.325 105 A C -0.354 177.063 177.584 -0.278 0.000 1.209 105 A CA -0.549 51.283 52.037 -0.342 0.000 0.764 105 A CB 0.562 19.389 19.000 -0.289 0.000 1.120 105 A HN 0.543 nan 8.150 nan 0.000 0.463 106 K N 2.150 122.387 120.400 -0.272 0.000 2.258 106 K HA 0.158 4.478 4.320 0.000 0.000 0.284 106 K C -0.871 175.701 176.600 -0.047 0.000 1.051 106 K CA -0.127 56.132 56.287 -0.047 0.000 0.923 106 K CB 0.171 32.756 32.500 0.143 0.000 1.046 106 K HN 0.897 nan 8.250 nan 0.000 0.474 107 H N 2.016 121.018 119.070 -0.114 0.000 2.527 107 H HA 0.453 5.009 4.556 0.000 0.000 0.321 107 H C -0.199 175.111 175.328 -0.030 0.000 1.087 107 H CA -0.458 55.490 56.048 -0.168 0.000 1.337 107 H CB 1.071 30.795 29.762 -0.063 0.000 1.440 107 H HN 0.857 nan 8.280 nan 0.000 0.490 108 G N 3.496 112.242 108.800 -0.090 0.000 2.600 108 G HA2 0.151 4.111 3.960 0.000 0.000 0.293 108 G HA3 0.151 4.111 3.960 0.000 0.000 0.293 108 G C -1.701 173.385 174.900 0.310 0.000 1.408 108 G CA -0.641 44.572 45.100 0.189 0.000 0.782 108 G HN 0.628 nan 8.290 nan 0.000 0.482 109 N N -1.246 117.693 118.700 0.399 0.000 3.243 109 N HA 0.432 5.172 4.740 0.000 0.000 0.280 109 N C -0.625 175.114 175.510 0.381 0.000 1.545 109 N CA -0.694 52.637 53.050 0.468 0.000 0.854 109 N CB 1.995 40.608 38.487 0.210 0.000 1.612 109 N HN 0.546 nan 8.380 nan 0.000 0.577 110 R N 0.014 120.738 120.500 0.374 0.000 2.583 110 R HA 0.686 5.026 4.340 0.000 0.000 0.268 110 R C -0.364 176.017 176.300 0.135 0.000 1.101 110 R CA -0.633 55.593 56.100 0.210 0.000 1.180 110 R CB 0.542 30.967 30.300 0.209 0.000 1.128 110 R HN 0.535 nan 8.270 nan 0.000 0.568 111 A N 0.749 123.622 122.820 0.088 0.000 2.292 111 A HA 0.504 4.824 4.320 0.000 0.000 0.319 111 A C -0.047 177.568 177.584 0.051 0.000 1.206 111 A CA -0.586 51.488 52.037 0.062 0.000 0.835 111 A CB 1.160 20.189 19.000 0.047 0.000 1.164 111 A HN 0.781 nan 8.150 nan 0.000 0.505 112 A N 3.085 125.929 122.820 0.041 0.000 3.030 112 A HA 0.525 4.846 4.320 0.000 0.000 0.273 112 A C 0.767 178.367 177.584 0.025 0.000 1.841 112 A CA 0.678 52.734 52.037 0.031 0.000 1.479 112 A CB -1.455 17.557 19.000 0.020 0.000 1.048 112 A HN 2.261 nan 8.150 nan 0.000 0.612 113 S N -1.355 114.361 115.700 0.027 0.000 2.636 113 S HA 0.137 4.607 4.470 0.000 0.000 0.277 113 S C 0.826 175.438 174.600 0.020 0.000 1.154 113 S CA 0.178 58.391 58.200 0.021 0.000 1.069 113 S CB -0.439 62.773 63.200 0.020 0.000 1.226 113 S HN 1.294 nan 8.310 nan 0.000 0.457 114 S N -0.047 115.662 115.700 0.016 0.000 2.461 114 S HA 0.143 4.613 4.470 0.000 0.000 0.228 114 S C 0.838 175.446 174.600 0.013 0.000 1.005 114 S CA 0.834 59.042 58.200 0.013 0.000 0.942 114 S CB -0.532 62.674 63.200 0.011 0.000 0.776 114 S HN 0.909 nan 8.310 nan 0.000 0.514 115 R N 2.684 123.193 120.500 0.016 0.000 2.643 115 R HA 0.528 4.868 4.340 0.000 0.000 0.270 115 R C -0.311 175.999 176.300 0.016 0.000 1.061 115 R CA 0.409 56.518 56.100 0.015 0.000 1.107 115 R CB -0.029 30.282 30.300 0.018 0.000 0.999 115 R HN 0.273 nan 8.270 nan 0.000 0.460 116 A N 3.064 125.890 122.820 0.011 0.000 2.309 116 A HA 0.564 4.884 4.320 0.000 0.000 0.290 116 A C 0.289 177.881 177.584 0.013 0.000 1.206 116 A CA -0.004 52.037 52.037 0.006 0.000 0.850 116 A CB 0.527 19.524 19.000 -0.007 0.000 1.118 116 A HN 0.844 nan 8.150 nan 0.000 0.523 117 G N 0.469 109.283 108.800 0.023 0.000 2.535 117 G HA2 0.414 4.374 3.960 0.000 0.000 0.303 117 G HA3 0.414 4.374 3.960 0.000 0.000 0.303 117 G C 1.192 176.103 174.900 0.019 0.000 1.237 117 G CA 0.310 45.436 45.100 0.043 0.000 0.986 117 G HN 1.257 nan 8.290 nan 0.000 0.494 118 S N -0.497 115.232 115.700 0.048 0.000 2.374 118 S HA -0.168 4.302 4.470 0.000 0.000 0.227 118 S C 2.501 176.971 174.600 -0.217 0.000 1.037 118 S CA 1.896 60.080 58.200 -0.027 0.000 1.024 118 S CB -0.613 62.664 63.200 0.128 0.000 0.861 118 S HN 1.048 nan 8.310 nan 0.000 0.456 119 A N 2.234 125.020 122.820 -0.056 0.000 1.930 119 A HA -0.079 4.241 4.320 0.000 0.000 0.217 119 A C 1.994 179.444 177.584 -0.223 0.000 1.175 119 A CA 1.485 53.396 52.037 -0.210 0.000 0.627 119 A CB -0.723 18.241 19.000 -0.060 0.000 0.815 119 A HN 0.559 nan 8.150 nan 0.000 0.443 120 D N -0.264 120.075 120.400 -0.103 0.000 2.117 120 D HA -0.131 4.509 4.640 0.000 0.000 0.198 120 D C 1.904 178.149 176.300 -0.093 0.000 0.982 120 D CA 1.438 55.392 54.000 -0.076 0.000 0.828 120 D CB -0.352 40.434 40.800 -0.024 0.000 0.967 120 D HN 0.395 nan 8.370 nan 0.000 0.464 121 L N 0.995 122.156 121.223 -0.103 0.000 1.994 121 L HA -0.117 4.223 4.340 0.000 0.000 0.208 121 L C 2.253 179.049 176.870 -0.123 0.000 1.071 121 L CA 1.441 56.224 54.840 -0.095 0.000 0.745 121 L CB -0.723 41.283 42.059 -0.088 0.000 0.892 121 L HN -0.035 nan 8.230 nan 0.000 0.431 122 L N -0.416 120.679 121.223 -0.213 0.000 2.083 122 L HA -0.218 4.122 4.340 0.000 0.000 0.209 122 L C 2.629 179.425 176.870 -0.124 0.000 1.083 122 L CA 1.698 56.416 54.840 -0.204 0.000 0.752 122 L CB -0.624 41.194 42.059 -0.402 0.000 0.899 122 L HN 0.499 nan 8.230 nan 0.000 0.433 123 E N 0.487 120.602 120.200 -0.142 0.000 2.077 123 E HA -0.244 4.106 4.350 0.000 0.000 0.193 123 E C 2.205 178.773 176.600 -0.053 0.000 0.989 123 E CA 1.180 57.525 56.400 -0.092 0.000 0.800 123 E CB -0.005 29.631 29.700 -0.107 0.000 0.746 123 E HN 0.453 nan 8.360 nan 0.000 0.452 124 A N 0.716 123.505 122.820 -0.052 0.000 2.019 124 A HA -0.085 4.235 4.320 0.000 0.000 0.219 124 A C 1.985 179.560 177.584 -0.015 0.000 1.164 124 A CA 0.817 52.837 52.037 -0.028 0.000 0.644 124 A CB -0.356 18.628 19.000 -0.026 0.000 0.805 124 A HN 0.321 nan 8.150 nan 0.000 0.449 125 L N -1.427 119.784 121.223 -0.020 0.000 2.612 125 L HA 0.235 4.575 4.340 0.000 0.000 0.230 125 L C 1.600 178.471 176.870 0.002 0.000 1.140 125 L CA 0.543 55.384 54.840 0.001 0.000 0.896 125 L CB 0.008 42.065 42.059 -0.003 0.000 1.065 125 L HN 0.569 nan 8.230 nan 0.000 0.447 126 G N -0.666 108.131 108.800 -0.005 0.000 2.195 126 G HA2 -0.232 3.729 3.960 0.000 0.000 0.224 126 G HA3 -0.232 3.729 3.960 0.000 0.000 0.224 126 G C 0.252 175.153 174.900 0.002 0.000 0.990 126 G CA -0.188 44.911 45.100 -0.003 0.000 0.639 126 G HN 0.037 nan 8.290 nan 0.000 0.514 127 V N 2.002 121.925 119.914 0.015 0.000 2.529 127 V HA 0.339 4.460 4.120 0.000 0.000 0.292 127 V C 0.521 176.623 176.094 0.013 0.000 1.028 127 V CA 0.276 62.602 62.300 0.043 0.000 1.074 127 V CB 1.526 33.415 31.823 0.110 0.000 0.958 127 V HN 0.377 nan 8.190 nan 0.000 0.481 128 D N 4.706 125.112 120.400 0.010 0.000 2.393 128 D HA 0.159 4.800 4.640 0.000 0.000 0.232 128 D C 0.947 177.276 176.300 0.047 0.000 1.192 128 D CA -0.036 53.970 54.000 0.011 0.000 0.882 128 D CB 0.801 41.599 40.800 -0.004 0.000 1.038 128 D HN 0.472 nan 8.370 nan 0.000 0.499 129 L N 2.724 123.965 121.223 0.029 0.000 2.456 129 L HA -0.060 4.280 4.340 0.000 0.000 0.224 129 L C 1.668 178.641 176.870 0.170 0.000 1.148 129 L CA 0.772 55.647 54.840 0.058 0.000 0.825 129 L CB -0.103 41.848 42.059 -0.179 0.000 0.937 129 L HN 0.435 nan 8.230 nan 0.000 0.450 130 E N 0.460 120.723 120.200 0.104 0.000 2.489 130 E HA 0.120 4.470 4.350 0.000 0.000 0.193 130 E C 0.924 177.555 176.600 0.051 0.000 1.057 130 E CA -0.130 56.322 56.400 0.086 0.000 0.866 130 E CB 0.212 29.942 29.700 0.049 0.000 0.916 130 E HN 0.391 nan 8.360 nan 0.000 0.500 131 A N 3.868 126.725 122.820 0.061 0.000 2.567 131 A HA 0.068 4.388 4.320 0.000 0.000 0.240 131 A C -1.925 175.670 177.584 0.019 0.000 1.053 131 A CA -0.916 51.145 52.037 0.039 0.000 0.755 131 A CB -0.249 18.787 19.000 0.060 0.000 0.978 131 A HN -0.017 nan 8.150 nan 0.000 0.507 132 P HA 0.151 nan 4.420 nan 0.000 0.272 132 P C -2.238 175.035 177.300 -0.045 0.000 1.223 132 P CA -1.340 61.725 63.100 -0.058 0.000 0.784 132 P CB 0.240 31.913 31.700 -0.045 0.000 0.923 133 P HA -0.216 nan 4.420 nan 0.000 0.216 133 P C 1.584 178.942 177.300 0.097 0.000 1.154 133 P CA 1.659 64.727 63.100 -0.052 0.000 0.865 133 P CB -0.041 31.531 31.700 -0.214 0.000 0.789 134 E N -0.745 119.481 120.200 0.042 0.000 2.085 134 E HA -0.281 4.069 4.350 0.000 0.000 0.194 134 E C 2.199 178.858 176.600 0.099 0.000 0.994 134 E CA 1.046 57.483 56.400 0.062 0.000 0.801 134 E CB -0.128 29.590 29.700 0.031 0.000 0.743 134 E HN -0.124 nan 8.360 nan 0.000 0.453 135 R N 0.218 120.774 120.500 0.093 0.000 2.075 135 R HA -0.073 4.267 4.340 0.000 0.000 0.232 135 R C 2.195 178.639 176.300 0.241 0.000 1.126 135 R CA 1.359 57.542 56.100 0.139 0.000 0.963 135 R CB -0.723 29.616 30.300 0.065 0.000 0.858 135 R HN 0.120 nan 8.270 nan 0.000 0.435 136 V N 0.015 120.056 119.914 0.212 0.000 2.407 136 V HA -0.136 3.984 4.120 0.000 0.000 0.248 136 V C 2.239 178.451 176.094 0.197 0.000 1.055 136 V CA 2.041 64.496 62.300 0.257 0.000 1.049 136 V CB -1.080 30.922 31.823 0.299 0.000 0.662 136 V HN 0.607 nan 8.190 nan 0.000 0.455 137 G N -0.482 108.414 108.800 0.160 0.000 2.422 137 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 137 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 137 G C 1.452 176.411 174.900 0.098 0.000 1.146 137 G CA 0.740 45.895 45.100 0.092 0.000 0.769 137 G HN 0.581 nan 8.290 nan 0.000 0.547 138 E N 0.529 120.833 120.200 0.174 0.000 2.150 138 E HA 0.017 4.367 4.350 0.000 0.000 0.193 138 E C 2.878 179.536 176.600 0.097 0.000 0.985 138 E CA 0.608 57.141 56.400 0.222 0.000 0.814 138 E CB -0.121 29.798 29.700 0.365 0.000 0.752 138 E HN 0.423 nan 8.360 nan 0.000 0.466 139 A N 1.309 124.154 122.820 0.042 0.000 1.898 139 A HA -0.152 4.168 4.320 0.000 0.000 0.216 139 A C 2.170 179.653 177.584 -0.169 0.000 1.181 139 A CA 0.951 52.740 52.037 -0.412 0.000 0.620 139 A CB -0.518 18.497 19.000 0.024 0.000 0.819 139 A HN 0.118 nan 8.150 nan 0.000 0.442 140 I N -0.327 120.222 120.570 -0.036 0.000 2.179 140 I HA -0.227 3.943 4.170 0.000 0.000 0.242 140 I C 2.488 178.579 176.117 -0.043 0.000 1.088 140 I CA 1.293 62.561 61.300 -0.054 0.000 1.357 140 I CB -0.375 37.581 38.000 -0.072 0.000 1.051 140 I HN 0.297 nan 8.210 nan 0.000 0.409 141 E N 0.879 121.066 120.200 -0.022 0.000 2.051 141 E HA -0.215 4.135 4.350 0.000 0.000 0.192 141 E C 2.064 178.658 176.600 -0.010 0.000 0.991 141 E CA 1.431 57.836 56.400 0.008 0.000 0.799 141 E CB -0.179 29.552 29.700 0.051 0.000 0.748 141 E HN 0.603 nan 8.360 nan 0.000 0.449 142 E N -0.071 120.092 120.200 -0.062 0.000 2.140 142 E HA 0.050 4.400 4.350 0.000 0.000 0.191 142 E C 2.114 178.655 176.600 -0.097 0.000 0.973 142 E CA 0.345 56.703 56.400 -0.071 0.000 0.829 142 E CB 0.217 29.873 29.700 -0.072 0.000 0.781 142 E HN 0.145 nan 8.360 nan 0.000 0.466 143 L N -0.950 120.177 121.223 -0.160 0.000 2.556 143 L HA 0.263 4.603 4.340 0.000 0.000 0.226 143 L C 1.371 178.243 176.870 0.004 0.000 1.089 143 L CA 0.407 55.201 54.840 -0.076 0.000 0.864 143 L CB 0.472 42.479 42.059 -0.088 0.000 1.067 143 L HN 0.307 nan 8.230 nan 0.000 0.477 144 G N 0.660 109.461 108.800 0.001 0.000 2.157 144 G HA2 -0.331 3.629 3.960 0.000 0.000 0.248 144 G HA3 -0.331 3.629 3.960 0.000 0.000 0.248 144 G C -0.129 174.818 174.900 0.080 0.000 0.979 144 G CA 0.163 45.282 45.100 0.031 0.000 0.650 144 G HN 0.234 nan 8.290 nan 0.000 0.529 145 F N 0.118 120.002 119.950 -0.109 0.000 2.619 145 F HA 0.665 5.193 4.527 0.000 0.000 0.308 145 F C -0.022 175.645 175.800 -0.221 0.000 1.097 145 F CA 0.175 58.066 58.000 -0.183 0.000 0.953 145 F CB 1.915 40.759 39.000 -0.260 0.000 1.287 145 F HN 0.605 nan 8.300 nan 0.000 0.446 146 G N 3.510 111.503 108.800 -1.344 0.000 2.742 146 G HA2 0.482 4.442 3.960 0.000 0.000 0.296 146 G HA3 0.482 4.442 3.960 0.000 0.000 0.296 146 G C -2.661 171.684 174.900 -0.924 0.000 1.436 146 G CA -0.689 43.931 45.100 -0.801 0.000 0.928 146 G HN 0.641 nan 8.290 nan 0.000 0.520 147 F N 2.447 122.133 119.950 -0.440 0.000 2.426 147 F HA 0.682 5.210 4.527 0.000 0.000 0.348 147 F C -0.481 175.364 175.800 0.076 0.000 1.124 147 F CA -1.402 56.494 58.000 -0.173 0.000 1.008 147 F CB 1.387 40.428 39.000 0.068 0.000 1.139 147 F HN 0.279 nan 8.300 nan 0.000 0.452 148 L N 7.814 128.645 121.223 -0.653 0.000 2.270 148 L HA 0.248 4.588 4.340 0.000 0.000 0.286 148 L C -0.648 175.972 176.870 -0.415 0.000 1.059 148 L CA -0.654 53.925 54.840 -0.435 0.000 0.839 148 L CB 0.155 41.835 42.059 -0.632 0.000 1.221 148 L HN 0.511 nan 8.230 nan 0.000 0.431 149 F N 2.974 122.784 119.950 -0.234 0.000 2.471 149 F HA 0.289 4.816 4.527 0.000 0.000 0.365 149 F C 1.275 177.180 175.800 0.176 0.000 1.095 149 F CA -0.815 57.157 58.000 -0.046 0.000 1.174 149 F CB 1.100 40.215 39.000 0.190 0.000 1.105 149 F HN 0.581 nan 8.300 nan 0.000 0.535 150 A N 7.354 130.253 122.820 0.133 0.000 1.948 150 A HA -0.224 4.096 4.320 0.000 0.000 0.220 150 A C 2.389 179.884 177.584 -0.149 0.000 1.177 150 A CA 1.790 53.913 52.037 0.143 0.000 0.636 150 A CB -0.467 18.608 19.000 0.125 0.000 0.815 150 A HN 0.847 nan 8.150 nan 0.000 0.449 151 R N -0.936 119.136 120.500 -0.714 0.000 2.120 151 R HA -0.056 4.284 4.340 0.000 0.000 0.234 151 R C 1.931 177.967 176.300 -0.440 0.000 1.123 151 R CA 1.339 57.056 56.100 -0.639 0.000 0.975 151 R CB -0.452 29.287 30.300 -0.934 0.000 0.866 151 R HN 0.430 nan 8.270 nan 0.000 0.446 152 V N -0.054 119.593 119.914 -0.445 0.000 2.407 152 V HA -0.142 3.978 4.120 0.000 0.000 0.245 152 V C 1.649 177.496 176.094 -0.411 0.000 1.041 152 V CA 1.560 63.666 62.300 -0.323 0.000 1.040 152 V CB -0.314 31.359 31.823 -0.251 0.000 0.671 152 V HN 0.139 nan 8.190 nan 0.000 0.455 153 F N -1.134 118.647 119.950 -0.283 0.000 2.512 153 F HA 0.091 4.618 4.527 0.000 0.000 0.296 153 F C 1.339 176.826 175.800 -0.522 0.000 1.110 153 F CA 0.738 58.485 58.000 -0.421 0.000 1.446 153 F CB 0.011 38.662 39.000 -0.582 0.000 1.092 153 F HN 0.232 nan 8.300 nan 0.000 0.554 154 H N 0.637 119.743 119.070 0.059 0.000 2.351 154 H HA 0.214 4.770 4.556 0.000 0.000 0.232 154 H C -1.704 173.587 175.328 -0.061 0.000 1.452 154 H CA -1.746 54.309 56.048 0.013 0.000 1.236 154 H CB -0.210 29.567 29.762 0.025 0.000 1.579 154 H HN 0.114 nan 8.280 nan 0.000 0.535 155 P HA -0.088 nan 4.420 nan 0.000 0.220 155 P C 1.442 178.697 177.300 -0.076 0.000 1.148 155 P CA 0.784 63.846 63.100 -0.064 0.000 0.803 155 P CB 0.355 32.009 31.700 -0.077 0.000 0.782 156 A N -0.203 122.620 122.820 0.006 0.000 2.067 156 A HA -0.084 4.237 4.320 0.000 0.000 0.219 156 A C 2.133 179.721 177.584 0.006 0.000 1.158 156 A CA 1.142 53.214 52.037 0.058 0.000 0.661 156 A CB -1.150 17.938 19.000 0.146 0.000 0.801 156 A HN 0.030 nan 8.150 nan 0.000 0.452 157 M N -0.498 119.072 119.600 -0.050 0.000 2.549 157 M HA -0.035 4.446 4.480 0.000 0.000 0.260 157 M C 1.794 177.982 176.300 -0.186 0.000 1.076 157 M CA 0.900 56.109 55.300 -0.151 0.000 1.090 157 M CB -1.009 31.493 32.600 -0.164 0.000 1.418 157 M HN 0.433 nan 8.290 nan 0.000 0.486 158 R N -1.014 119.367 120.500 -0.198 0.000 2.237 158 R HA -0.111 4.229 4.340 0.000 0.000 0.219 158 R C 1.695 177.870 176.300 -0.207 0.000 1.080 158 R CA 0.665 56.634 56.100 -0.219 0.000 0.995 158 R CB -0.255 29.893 30.300 -0.253 0.000 0.875 158 R HN 0.487 nan 8.270 nan 0.000 0.462 159 H N -0.609 118.404 119.070 -0.096 0.000 2.495 159 H HA -0.036 4.520 4.556 0.000 0.000 0.287 159 H C 1.833 177.100 175.328 -0.102 0.000 1.033 159 H CA 1.547 57.548 56.048 -0.078 0.000 1.307 159 H CB 0.470 30.201 29.762 -0.053 0.000 1.401 159 H HN 0.186 nan 8.280 nan 0.000 0.555 160 V N -3.706 116.161 119.914 -0.078 0.000 3.548 160 V HA 0.466 4.586 4.120 0.000 0.000 0.279 160 V C 2.312 178.277 176.094 -0.214 0.000 1.446 160 V CA 0.544 62.743 62.300 -0.169 0.000 1.023 160 V CB 0.098 31.698 31.823 -0.371 0.000 0.820 160 V HN 0.189 nan 8.190 nan 0.000 0.438 161 A N 1.813 124.508 122.820 -0.209 0.000 1.892 161 A HA -0.071 4.249 4.320 0.000 0.000 0.218 161 A C 0.612 178.130 177.584 -0.111 0.000 1.188 161 A CA 2.690 54.622 52.037 -0.175 0.000 0.631 161 A CB -1.977 16.936 19.000 -0.146 0.000 0.822 161 A HN 0.607 nan 8.150 nan 0.000 0.447 162 P HA -0.094 nan 4.420 nan 0.000 0.215 162 P C 1.605 178.880 177.300 -0.042 0.000 1.153 162 P CA 1.323 64.391 63.100 -0.052 0.000 0.853 162 P CB -0.116 31.561 31.700 -0.038 0.000 0.788 163 V N -0.087 119.803 119.914 -0.041 0.000 2.358 163 V HA -0.231 3.889 4.120 0.000 0.000 0.246 163 V C 2.437 178.518 176.094 -0.022 0.000 1.047 163 V CA 1.767 64.054 62.300 -0.021 0.000 1.035 163 V CB -0.975 30.846 31.823 -0.003 0.000 0.658 163 V HN 0.067 nan 8.190 nan 0.000 0.452 164 R N 0.285 120.757 120.500 -0.046 0.000 2.081 164 R HA -0.135 4.205 4.340 0.000 0.000 0.235 164 R C 2.447 178.725 176.300 -0.037 0.000 1.131 164 R CA 1.535 57.612 56.100 -0.038 0.000 0.960 164 R CB -0.632 29.616 30.300 -0.087 0.000 0.856 164 R HN 0.536 nan 8.270 nan 0.000 0.436 165 A N 1.058 123.851 122.820 -0.045 0.000 1.902 165 A HA -0.210 4.110 4.320 0.000 0.000 0.217 165 A C 2.054 179.624 177.584 -0.024 0.000 1.181 165 A CA 1.613 53.628 52.037 -0.035 0.000 0.623 165 A CB -0.326 18.652 19.000 -0.036 0.000 0.818 165 A HN 0.243 nan 8.150 nan 0.000 0.443 166 E N 0.159 120.346 120.200 -0.020 0.000 2.106 166 E HA -0.070 4.280 4.350 0.000 0.000 0.192 166 E C 1.794 178.389 176.600 -0.009 0.000 0.984 166 E CA 0.902 57.295 56.400 -0.013 0.000 0.806 166 E CB -0.409 29.284 29.700 -0.011 0.000 0.750 166 E HN 0.587 nan 8.360 nan 0.000 0.458 167 L N -0.720 120.498 121.223 -0.009 0.000 2.083 167 L HA -0.053 4.287 4.340 0.000 0.000 0.209 167 L C 1.794 178.658 176.870 -0.009 0.000 1.083 167 L CA 0.994 55.831 54.840 -0.006 0.000 0.752 167 L CB -0.536 41.523 42.059 -0.001 0.000 0.899 167 L HN 0.513 nan 8.230 nan 0.000 0.433 168 G N 0.067 108.858 108.800 -0.015 0.000 2.166 168 G HA2 -0.260 3.700 3.960 0.000 0.000 0.260 168 G HA3 -0.260 3.700 3.960 0.000 0.000 0.260 168 G C 0.194 175.080 174.900 -0.024 0.000 0.986 168 G CA 0.428 45.517 45.100 -0.017 0.000 0.683 168 G HN 0.401 nan 8.290 nan 0.000 0.527 169 V N -4.198 115.697 119.914 -0.031 0.000 3.040 169 V HA 0.854 4.974 4.120 0.000 0.000 0.312 169 V C 0.462 176.513 176.094 -0.072 0.000 1.115 169 V CA -1.929 60.344 62.300 -0.046 0.000 0.998 169 V CB 1.482 33.289 31.823 -0.026 0.000 1.042 169 V HN 0.333 nan 8.190 nan 0.000 0.433 170 R N 1.223 121.650 120.500 -0.122 0.000 2.694 170 R HA 0.610 4.950 4.340 0.000 0.000 0.268 170 R C 0.320 176.552 176.300 -0.112 0.000 1.061 170 R CA 0.511 56.511 56.100 -0.165 0.000 1.133 170 R CB 0.946 31.067 30.300 -0.298 0.000 1.020 170 R HN 1.101 nan 8.270 nan 0.000 0.475 171 T N -3.011 111.477 114.554 -0.110 0.000 2.669 171 T HA 0.110 4.460 4.350 0.000 0.000 0.283 171 T C 0.778 175.373 174.700 -0.175 0.000 1.019 171 T CA -0.835 61.210 62.100 -0.092 0.000 1.039 171 T CB 0.953 69.820 68.868 -0.002 0.000 1.374 171 T HN 0.225 nan 8.240 nan 0.000 0.523 172 V N 0.027 119.804 119.914 -0.230 0.000 2.688 172 V HA 0.002 4.122 4.120 0.000 0.000 0.256 172 V C 1.955 177.841 176.094 -0.347 0.000 1.084 172 V CA 1.718 63.816 62.300 -0.336 0.000 1.103 172 V CB -1.361 30.231 31.823 -0.386 0.000 0.688 172 V HN 0.766 nan 8.190 nan 0.000 0.480 173 F N 1.140 120.989 119.950 -0.168 0.000 2.269 173 F HA -0.082 4.445 4.527 0.000 0.000 0.301 173 F C 2.033 177.722 175.800 -0.186 0.000 1.082 173 F CA 1.960 59.863 58.000 -0.162 0.000 1.360 173 F CB -0.836 38.084 39.000 -0.133 0.000 1.041 173 F HN 0.332 nan 8.300 nan 0.000 0.512 174 N N 0.093 118.758 118.700 -0.057 0.000 2.188 174 N HA -0.114 4.626 4.740 0.000 0.000 0.184 174 N C 1.796 177.189 175.510 -0.196 0.000 1.018 174 N CA 0.982 53.949 53.050 -0.139 0.000 0.858 174 N CB -0.350 38.005 38.487 -0.219 0.000 0.989 174 N HN 0.212 nan 8.380 nan 0.000 0.426 175 L N -0.016 121.035 121.223 -0.286 0.000 2.109 175 L HA -0.016 4.324 4.340 0.000 0.000 0.207 175 L C 1.768 178.521 176.870 -0.195 0.000 1.086 175 L CA 0.729 55.382 54.840 -0.311 0.000 0.760 175 L CB -0.384 41.412 42.059 -0.439 0.000 0.910 175 L HN 0.176 nan 8.230 nan 0.000 0.437 176 L N -0.326 120.799 121.223 -0.163 0.000 2.217 176 L HA -0.040 4.300 4.340 0.000 0.000 0.211 176 L C 2.691 179.523 176.870 -0.063 0.000 1.107 176 L CA 0.842 55.615 54.840 -0.112 0.000 0.783 176 L CB -1.123 40.868 42.059 -0.113 0.000 0.919 176 L HN 0.285 nan 8.230 nan 0.000 0.442 177 G N 1.744 110.510 108.800 -0.057 0.000 2.553 177 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 177 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 177 G C -0.495 174.404 174.900 -0.002 0.000 1.195 177 G CA 1.088 46.148 45.100 -0.066 0.000 0.779 177 G HN 0.327 nan 8.290 nan 0.000 0.577 178 P HA 0.067 nan 4.420 nan 0.000 0.233 178 P C 1.359 178.672 177.300 0.021 0.000 1.167 178 P CA 0.647 63.782 63.100 0.059 0.000 0.770 178 P CB -0.009 31.700 31.700 0.016 0.000 0.837 179 L N 0.016 121.212 121.223 -0.045 0.000 2.628 179 L HA 0.140 4.480 4.340 0.000 0.000 0.229 179 L C 1.059 177.910 176.870 -0.031 0.000 1.137 179 L CA 0.587 55.361 54.840 -0.109 0.000 0.909 179 L CB -0.487 41.494 42.059 -0.130 0.000 1.137 179 L HN 0.016 nan 8.230 nan 0.000 0.470 180 T N -4.454 110.131 114.554 0.051 0.000 3.355 180 T HA 0.091 4.441 4.350 0.000 0.000 0.276 180 T C 0.524 175.217 174.700 -0.012 0.000 1.003 180 T CA -0.526 61.605 62.100 0.052 0.000 0.943 180 T CB -0.400 68.480 68.868 0.020 0.000 1.158 180 T HN 0.092 nan 8.240 nan 0.000 0.513 181 N N 3.697 122.362 118.700 -0.059 0.000 2.374 181 N HA -0.003 4.737 4.740 0.000 0.000 0.269 181 N C -1.323 173.981 175.510 -0.345 0.000 1.310 181 N CA -0.767 52.092 53.050 -0.317 0.000 0.877 181 N CB 1.249 39.715 38.487 -0.035 0.000 1.096 181 N HN 0.213 nan 8.380 nan 0.000 0.484 182 P HA -0.013 nan 4.420 nan 0.000 0.242 182 P C 0.269 177.315 177.300 -0.424 0.000 1.197 182 P CA 0.547 63.344 63.100 -0.504 0.000 0.765 182 P CB 0.223 31.396 31.700 -0.877 0.000 0.936 183 A N -0.458 122.125 122.820 -0.396 0.000 2.348 183 A HA 0.522 4.842 4.320 0.000 0.000 0.224 183 A C 1.533 179.016 177.584 -0.169 0.000 1.227 183 A CA 0.491 52.365 52.037 -0.273 0.000 0.885 183 A CB -0.788 18.038 19.000 -0.290 0.000 0.933 183 A HN 0.211 nan 8.150 nan 0.000 0.506 184 G N -0.784 107.937 108.800 -0.133 0.000 2.160 184 G HA2 0.096 4.056 3.960 0.000 0.000 0.244 184 G HA3 0.096 4.056 3.960 0.000 0.000 0.244 184 G C 0.475 175.352 174.900 -0.039 0.000 1.022 184 G CA 0.303 45.369 45.100 -0.057 0.000 0.741 184 G HN 1.656 nan 8.290 nan 0.000 0.508 185 A N 0.353 123.126 122.820 -0.079 0.000 2.587 185 A HA 0.423 4.743 4.320 0.000 0.000 0.235 185 A C 1.376 178.931 177.584 -0.049 0.000 1.044 185 A CA 1.213 53.154 52.037 -0.160 0.000 0.754 185 A CB 0.274 19.060 19.000 -0.357 0.000 0.968 185 A HN 0.962 nan 8.150 nan 0.000 0.509 186 D N 0.386 120.736 120.400 -0.083 0.000 2.433 186 D HA 0.372 5.012 4.640 0.000 0.000 0.211 186 D C 0.218 176.546 176.300 0.048 0.000 1.114 186 D CA 0.718 54.757 54.000 0.064 0.000 0.837 186 D CB 0.101 40.923 40.800 0.036 0.000 0.984 186 D HN 0.619 nan 8.370 nan 0.000 0.505 187 A N 0.023 122.723 122.820 -0.200 0.000 2.355 187 A HA 0.665 4.985 4.320 0.000 0.000 0.317 187 A C -1.699 175.641 177.584 -0.407 0.000 1.094 187 A CA -0.619 51.336 52.037 -0.137 0.000 0.764 187 A CB 1.297 20.229 19.000 -0.113 0.000 1.230 187 A HN 0.094 nan 8.150 nan 0.000 0.448 188 Y N 0.009 120.309 120.300 -0.001 0.000 2.562 188 Y HA 0.559 5.109 4.550 0.000 0.000 0.345 188 Y C -0.328 175.586 175.900 0.023 0.000 1.045 188 Y CA -0.890 57.216 58.100 0.010 0.000 1.028 188 Y CB 2.604 41.073 38.460 0.015 0.000 1.297 188 Y HN 0.372 nan 8.280 nan 0.000 0.463 189 V N 3.902 123.928 119.914 0.187 0.000 2.340 189 V HA 0.331 4.451 4.120 0.000 0.000 0.277 189 V C -0.944 175.245 176.094 0.158 0.000 1.017 189 V CA -0.555 61.826 62.300 0.135 0.000 0.820 189 V CB 1.334 33.205 31.823 0.079 0.000 1.028 189 V HN 0.598 nan 8.190 nan 0.000 0.436 190 L N 4.321 125.637 121.223 0.154 0.000 2.280 190 L HA 0.838 5.178 4.340 0.000 0.000 0.287 190 L C 0.750 177.676 176.870 0.094 0.000 1.023 190 L CA -0.182 54.732 54.840 0.124 0.000 0.819 190 L CB 1.122 43.225 42.059 0.073 0.000 1.212 190 L HN 0.677 nan 8.230 nan 0.000 0.420 191 G N 4.154 113.010 108.800 0.093 0.000 2.395 191 G HA2 0.514 4.474 3.960 0.000 0.000 0.283 191 G HA3 0.514 4.474 3.960 0.000 0.000 0.283 191 G C -0.641 174.331 174.900 0.120 0.000 1.178 191 G CA -0.301 44.860 45.100 0.102 0.000 0.837 191 G HN 0.592 nan 8.290 nan 0.000 0.518 192 V N 0.459 120.479 119.914 0.178 0.000 3.046 192 V HA 0.604 4.724 4.120 0.000 0.000 0.316 192 V C 0.981 177.271 176.094 0.326 0.000 1.104 192 V CA -0.925 61.500 62.300 0.208 0.000 1.006 192 V CB 1.609 33.559 31.823 0.212 0.000 1.058 192 V HN 0.616 nan 8.190 nan 0.000 0.440 193 F N 2.067 122.091 119.950 0.123 0.000 2.171 193 F HA 0.119 4.646 4.527 0.000 0.000 0.300 193 F C 1.208 177.076 175.800 0.113 0.000 1.090 193 F CA 1.528 59.612 58.000 0.140 0.000 1.293 193 F CB 0.150 39.188 39.000 0.063 0.000 1.013 193 F HN 0.951 nan 8.300 nan 0.000 0.486 194 S N -2.515 113.167 115.700 -0.030 0.000 2.596 194 S HA 0.432 4.902 4.470 0.000 0.000 0.270 194 S C -2.198 172.139 174.600 -0.438 0.000 1.155 194 S CA -1.170 56.738 58.200 -0.486 0.000 0.827 194 S CB 1.453 64.577 63.200 -0.127 0.000 1.130 194 S HN -0.225 nan 8.310 nan 0.000 0.467 195 P HA -0.170 nan 4.420 nan 0.000 0.216 195 P C 1.374 178.581 177.300 -0.155 0.000 1.150 195 P CA 1.757 64.704 63.100 -0.256 0.000 0.843 195 P CB -0.125 31.469 31.700 -0.176 0.000 0.787 196 E N -1.486 118.594 120.200 -0.201 0.000 2.267 196 E HA -0.200 4.150 4.350 0.000 0.000 0.197 196 E C 1.164 177.513 176.600 -0.419 0.000 0.998 196 E CA 0.932 57.141 56.400 -0.317 0.000 0.830 196 E CB -1.041 28.409 29.700 -0.418 0.000 0.751 196 E HN 0.381 nan 8.360 nan 0.000 0.491 197 W N 0.811 122.082 121.300 -0.048 0.000 3.197 197 W HA 0.311 4.971 4.660 0.000 0.000 0.274 197 W C 1.715 178.218 176.519 -0.026 0.000 1.297 197 W CA -0.523 56.807 57.345 -0.025 0.000 1.662 197 W CB 0.198 29.660 29.460 0.003 0.000 1.106 197 W HN -0.016 nan 8.180 nan 0.000 0.663 198 L N 0.262 121.555 121.223 0.116 0.000 1.970 198 L HA -0.262 4.078 4.340 0.000 0.000 0.212 198 L C 2.678 179.582 176.870 0.057 0.000 1.071 198 L CA 1.753 56.639 54.840 0.075 0.000 0.751 198 L CB -1.214 40.857 42.059 0.020 0.000 0.889 198 L HN 0.022 nan 8.230 nan 0.000 0.432 199 A N -0.071 122.760 122.820 0.019 0.000 1.873 199 A HA -0.081 4.239 4.320 0.000 0.000 0.215 199 A C 0.037 177.644 177.584 0.039 0.000 1.186 199 A CA 1.497 53.543 52.037 0.014 0.000 0.616 199 A CB -1.773 17.218 19.000 -0.016 0.000 0.823 199 A HN 0.275 nan 8.150 nan 0.000 0.442 200 P HA -0.150 nan 4.420 nan 0.000 0.215 200 P C 1.640 179.017 177.300 0.129 0.000 1.153 200 P CA 1.153 64.316 63.100 0.105 0.000 0.853 200 P CB -0.117 31.683 31.700 0.166 0.000 0.788 201 M N -1.262 118.435 119.600 0.162 0.000 2.229 201 M HA -0.025 4.455 4.480 0.000 0.000 0.264 201 M C 2.061 178.380 176.300 0.031 0.000 1.063 201 M CA 1.499 56.851 55.300 0.087 0.000 1.114 201 M CB -1.753 30.903 32.600 0.093 0.000 1.387 201 M HN -0.105 nan 8.290 nan 0.000 0.420 202 A N -0.210 122.635 122.820 0.042 0.000 1.898 202 A HA -0.181 4.139 4.320 0.000 0.000 0.216 202 A C 2.152 179.750 177.584 0.022 0.000 1.181 202 A CA 1.791 53.844 52.037 0.026 0.000 0.620 202 A CB -0.681 18.338 19.000 0.032 0.000 0.819 202 A HN 0.562 nan 8.150 nan 0.000 0.442 203 E N -0.193 120.026 120.200 0.031 0.000 2.106 203 E HA -0.084 4.266 4.350 0.000 0.000 0.192 203 E C 2.132 178.746 176.600 0.023 0.000 0.984 203 E CA 0.842 57.261 56.400 0.032 0.000 0.806 203 E CB -0.215 29.509 29.700 0.040 0.000 0.750 203 E HN 0.543 nan 8.360 nan 0.000 0.458 204 A N 1.076 123.904 122.820 0.015 0.000 1.902 204 A HA -0.163 4.157 4.320 0.000 0.000 0.217 204 A C 2.174 179.739 177.584 -0.032 0.000 1.181 204 A CA 1.052 53.084 52.037 -0.008 0.000 0.623 204 A CB -0.642 18.343 19.000 -0.026 0.000 0.818 204 A HN 0.295 nan 8.150 nan 0.000 0.443 205 L N -0.968 120.223 121.223 -0.053 0.000 2.046 205 L HA -0.216 4.124 4.340 0.000 0.000 0.208 205 L C 2.696 179.555 176.870 -0.017 0.000 1.077 205 L CA 1.901 56.694 54.840 -0.079 0.000 0.747 205 L CB -0.481 41.521 42.059 -0.095 0.000 0.896 205 L HN 0.608 nan 8.230 nan 0.000 0.432 206 E N 0.355 120.559 120.200 0.006 0.000 2.085 206 E HA -0.250 4.100 4.350 0.000 0.000 0.194 206 E C 2.322 178.936 176.600 0.022 0.000 0.994 206 E CA 1.206 57.619 56.400 0.022 0.000 0.801 206 E CB 0.087 29.804 29.700 0.027 0.000 0.743 206 E HN 0.341 nan 8.360 nan 0.000 0.453 207 R N -0.132 120.380 120.500 0.021 0.000 2.152 207 R HA -0.061 4.279 4.340 0.000 0.000 0.232 207 R C 2.245 178.559 176.300 0.024 0.000 1.117 207 R CA 0.884 57.000 56.100 0.027 0.000 0.981 207 R CB -0.124 30.199 30.300 0.038 0.000 0.870 207 R HN 0.270 nan 8.270 nan 0.000 0.451 208 L N -0.476 120.755 121.223 0.013 0.000 2.599 208 L HA 0.128 4.468 4.340 0.000 0.000 0.230 208 L C 1.074 177.961 176.870 0.028 0.000 1.141 208 L CA 0.441 55.290 54.840 0.015 0.000 0.877 208 L CB 0.168 42.221 42.059 -0.011 0.000 1.009 208 L HN 0.460 nan 8.230 nan 0.000 0.447 209 G N -0.124 108.694 108.800 0.030 0.000 2.136 209 G HA2 -0.240 3.720 3.960 0.000 0.000 0.242 209 G HA3 -0.240 3.720 3.960 0.000 0.000 0.242 209 G C 0.279 175.211 174.900 0.054 0.000 0.989 209 G CA 0.092 45.214 45.100 0.037 0.000 0.682 209 G HN 0.501 nan 8.290 nan 0.000 0.522 210 A N -0.332 122.528 122.820 0.066 0.000 2.256 210 A HA 1.001 5.321 4.320 0.000 0.000 0.318 210 A C 0.580 178.223 177.584 0.099 0.000 1.103 210 A CA 0.247 52.357 52.037 0.121 0.000 0.860 210 A CB 0.741 19.853 19.000 0.186 0.000 1.182 210 A HN 1.338 nan 8.150 nan 0.000 0.501 211 R N -0.912 119.666 120.500 0.130 0.000 2.888 211 R HA 0.858 5.198 4.340 0.000 0.000 0.264 211 R C 0.099 176.469 176.300 0.115 0.000 1.045 211 R CA -0.251 55.899 56.100 0.083 0.000 0.962 211 R CB 1.187 31.506 30.300 0.031 0.000 1.210 211 R HN 2.122 nan 8.270 nan 0.000 0.479 212 G N 0.038 108.880 108.800 0.071 0.000 2.250 212 G HA2 0.179 4.139 3.960 0.000 0.000 0.252 212 G HA3 0.179 4.139 3.960 0.000 0.000 0.252 212 G C -2.080 172.888 174.900 0.112 0.000 1.325 212 G CA -0.770 44.385 45.100 0.091 0.000 1.091 212 G HN 0.404 nan 8.290 nan 0.000 0.476 213 L N -0.120 121.182 121.223 0.132 0.000 2.381 213 L HA 0.749 5.090 4.340 0.000 0.000 0.268 213 L C 0.193 177.117 176.870 0.089 0.000 0.997 213 L CA -0.886 54.020 54.840 0.111 0.000 0.818 213 L CB 1.980 44.121 42.059 0.136 0.000 1.310 213 L HN 0.584 nan 8.230 nan 0.000 0.416 214 V N 3.174 123.119 119.914 0.052 0.000 2.435 214 V HA 0.787 4.907 4.120 0.000 0.000 0.290 214 V C -0.229 175.890 176.094 0.042 0.000 1.030 214 V CA -0.700 61.632 62.300 0.054 0.000 0.881 214 V CB 1.861 33.713 31.823 0.047 0.000 0.983 214 V HN 0.577 nan 8.190 nan 0.000 0.445 215 V N 2.001 121.957 119.914 0.069 0.000 3.040 215 V HA 0.852 4.973 4.120 0.000 0.000 0.312 215 V C -1.130 175.044 176.094 0.133 0.000 1.115 215 V CA -0.734 61.606 62.300 0.067 0.000 0.998 215 V CB 2.129 33.980 31.823 0.047 0.000 1.042 215 V HN 0.995 nan 8.190 nan 0.000 0.433 216 H N 0.841 119.913 119.070 0.004 0.000 3.026 216 H HA 0.738 5.294 4.556 0.000 0.000 0.352 216 H C -0.349 174.973 175.328 -0.009 0.000 1.090 216 H CA 0.408 56.458 56.048 0.004 0.000 1.268 216 H CB 1.961 31.725 29.762 0.004 0.000 1.816 216 H HN 1.279 nan 8.280 nan 0.000 0.518 217 G N 3.287 111.749 108.800 -0.564 0.000 2.938 217 G HA2 0.371 4.331 3.960 0.000 0.000 0.308 217 G HA3 0.371 4.331 3.960 0.000 0.000 0.308 217 G C -0.850 173.808 174.900 -0.403 0.000 1.422 217 G CA -0.783 44.104 45.100 -0.355 0.000 1.071 217 G HN 0.867 nan 8.290 nan 0.000 0.530 218 E N 0.958 120.981 120.200 -0.296 0.000 2.149 218 E HA -0.289 4.061 4.350 0.000 0.000 0.191 218 E C 1.510 178.008 176.600 -0.169 0.000 1.384 218 E CA 0.909 57.218 56.400 -0.152 0.000 0.698 218 E CB -1.136 28.514 29.700 -0.084 0.000 1.086 218 E HN 1.653 nan 8.360 nan 0.000 0.338 219 G N -1.199 107.463 108.800 -0.230 0.000 2.284 219 G HA2 -0.299 3.661 3.960 0.000 0.000 0.230 219 G HA3 -0.299 3.661 3.960 0.000 0.000 0.230 219 G C 0.387 175.191 174.900 -0.160 0.000 1.021 219 G CA 0.052 45.086 45.100 -0.110 0.000 0.619 219 G HN 1.033 nan 8.290 nan 0.000 0.510 220 A N 1.034 123.696 122.820 -0.264 0.000 2.316 220 A HA 0.565 4.885 4.320 0.000 0.000 0.284 220 A C 0.755 178.255 177.584 -0.141 0.000 1.115 220 A CA 0.608 52.557 52.037 -0.146 0.000 0.812 220 A CB 0.453 19.386 19.000 -0.111 0.000 1.064 220 A HN 0.765 nan 8.150 nan 0.000 0.489 221 D N 1.033 121.443 120.400 0.017 0.000 2.870 221 D HA 0.110 4.750 4.640 0.000 0.000 0.241 221 D C -0.023 176.307 176.300 0.051 0.000 1.234 221 D CA 0.075 54.132 54.000 0.094 0.000 0.844 221 D CB -0.393 40.494 40.800 0.146 0.000 1.051 221 D HN 0.715 nan 8.370 nan 0.000 0.469 222 E N -1.077 119.118 120.200 -0.008 0.000 2.422 222 E HA 0.298 4.648 4.350 0.000 0.000 0.280 222 E C -1.045 175.535 176.600 -0.034 0.000 1.091 222 E CA -1.047 55.354 56.400 0.001 0.000 0.849 222 E CB 0.412 30.119 29.700 0.012 0.000 1.353 222 E HN -0.059 nan 8.360 nan 0.000 0.449 223 L N 1.767 122.984 121.223 -0.011 0.000 2.410 223 L HA 0.340 4.680 4.340 0.000 0.000 0.273 223 L C 0.362 177.217 176.870 -0.025 0.000 1.152 223 L CA -0.320 54.510 54.840 -0.017 0.000 0.855 223 L CB 0.629 42.693 42.059 0.007 0.000 1.129 223 L HN 0.508 nan 8.230 nan 0.000 0.463 224 V N 1.661 121.553 119.914 -0.038 0.000 3.182 224 V HA 0.453 4.573 4.120 0.000 0.000 0.311 224 V C 0.028 176.109 176.094 -0.021 0.000 1.221 224 V CA -1.079 61.200 62.300 -0.034 0.000 1.060 224 V CB 1.948 33.739 31.823 -0.053 0.000 1.164 224 V HN 0.554 nan 8.190 nan 0.000 0.466 225 L N 1.949 123.161 121.223 -0.018 0.000 2.796 225 L HA 0.714 5.054 4.340 0.000 0.000 0.235 225 L C 0.691 177.554 176.870 -0.011 0.000 1.344 225 L CA 0.638 55.472 54.840 -0.010 0.000 1.245 225 L CB -0.787 41.268 42.059 -0.007 0.000 1.556 225 L HN 1.058 nan 8.230 nan 0.000 0.423 226 G N -0.902 107.889 108.800 -0.014 0.000 2.772 226 G HA2 0.237 4.197 3.960 0.000 0.000 0.284 226 G HA3 0.237 4.197 3.960 0.000 0.000 0.284 226 G C -1.047 173.849 174.900 -0.008 0.000 1.217 226 G CA -0.467 44.625 45.100 -0.013 0.000 0.831 226 G HN -0.000 nan 8.290 nan 0.000 0.523 227 E N 2.103 122.300 120.200 -0.007 0.000 2.029 227 E HA 0.147 4.498 4.350 0.000 0.000 0.276 227 E C -0.278 176.322 176.600 -0.001 0.000 1.163 227 E CA -0.037 56.365 56.400 0.004 0.000 0.909 227 E CB 0.256 29.962 29.700 0.009 0.000 1.046 227 E HN 0.265 nan 8.360 nan 0.000 0.406 228 N N 2.484 121.186 118.700 0.004 0.000 2.508 228 N HA 0.270 5.011 4.740 0.000 0.000 0.285 228 N C -0.047 175.473 175.510 0.016 0.000 1.144 228 N CA -0.476 52.573 53.050 -0.002 0.000 0.978 228 N CB 1.442 39.927 38.487 -0.004 0.000 1.180 228 N HN 0.114 nan 8.380 nan 0.000 0.484 229 R N 1.376 121.891 120.500 0.025 0.000 2.534 229 R HA 0.490 4.830 4.340 0.000 0.000 0.301 229 R C -1.223 175.053 176.300 -0.041 0.000 0.961 229 R CA -0.750 55.355 56.100 0.007 0.000 0.871 229 R CB 0.680 31.012 30.300 0.053 0.000 1.170 229 R HN 0.475 nan 8.270 nan 0.000 0.446 230 V N 1.094 120.902 119.914 -0.177 0.000 2.962 230 V HA 0.756 4.876 4.120 0.000 0.000 0.313 230 V C -1.270 174.606 176.094 -0.363 0.000 1.099 230 V CA -0.707 61.435 62.300 -0.263 0.000 0.971 230 V CB 2.656 34.258 31.823 -0.369 0.000 1.028 230 V HN 0.296 nan 8.190 nan 0.000 0.430 231 V N 3.181 122.969 119.914 -0.211 0.000 2.483 231 V HA 0.490 4.611 4.120 0.000 0.000 0.297 231 V C -0.147 175.909 176.094 -0.063 0.000 1.027 231 V CA -0.328 61.888 62.300 -0.139 0.000 0.855 231 V CB 1.459 33.259 31.823 -0.039 0.000 0.995 231 V HN 1.088 nan 8.190 nan 0.000 0.424 232 E N 3.771 123.974 120.200 0.005 0.000 2.194 232 E HA 0.380 4.730 4.350 0.000 0.000 0.284 232 E C -0.544 176.122 176.600 0.109 0.000 1.035 232 E CA -0.559 55.922 56.400 0.135 0.000 0.836 232 E CB 1.535 31.434 29.700 0.331 0.000 1.070 232 E HN 0.530 nan 8.360 nan 0.000 0.401 233 V N 4.893 124.859 119.914 0.086 0.000 2.539 233 V HA 0.053 4.173 4.120 0.000 0.000 0.300 233 V C 1.473 177.608 176.094 0.068 0.000 1.019 233 V CA 1.704 64.043 62.300 0.066 0.000 1.160 233 V CB 0.258 32.115 31.823 0.058 0.000 0.901 233 V HN 1.107 nan 8.190 nan 0.000 0.481 234 G N 3.681 112.518 108.800 0.061 0.000 2.176 234 G HA2 -0.300 3.661 3.960 0.000 0.000 0.253 234 G HA3 -0.300 3.661 3.960 0.000 0.000 0.253 234 G C 0.825 175.767 174.900 0.071 0.000 0.979 234 G CA 0.708 45.842 45.100 0.057 0.000 0.641 234 G HN 0.735 nan 8.290 nan 0.000 0.530 235 K N -0.472 119.985 120.400 0.096 0.000 2.401 235 K HA 0.569 4.889 4.320 0.000 0.000 0.230 235 K C 1.110 177.781 176.600 0.118 0.000 1.183 235 K CA 1.313 57.671 56.287 0.118 0.000 0.798 235 K CB 0.593 33.199 32.500 0.176 0.000 1.455 235 K HN 1.367 nan 8.250 nan 0.000 0.430 236 G N 0.071 108.958 108.800 0.145 0.000 2.324 236 G HA2 0.409 4.369 3.960 0.000 0.000 0.293 236 G HA3 0.409 4.369 3.960 0.000 0.000 0.293 236 G C -1.847 173.129 174.900 0.125 0.000 1.297 236 G CA -0.400 44.773 45.100 0.122 0.000 0.853 236 G HN 0.419 nan 8.290 nan 0.000 0.535 237 A N -0.686 122.184 122.820 0.083 0.000 2.304 237 A HA 1.003 5.323 4.320 0.000 0.000 0.301 237 A C -0.542 177.118 177.584 0.127 0.000 1.132 237 A CA 0.019 52.056 52.037 -0.001 0.000 0.819 237 A CB 0.612 19.605 19.000 -0.012 0.000 1.094 237 A HN 2.159 nan 8.150 nan 0.000 0.492 238 Y N -2.329 117.992 120.300 0.035 0.000 2.677 238 Y HA 0.688 5.238 4.550 0.000 0.000 0.334 238 Y C -0.255 175.661 175.900 0.027 0.000 1.196 238 Y CA -0.979 57.137 58.100 0.026 0.000 1.059 238 Y CB 0.586 39.059 38.460 0.023 0.000 1.315 238 Y HN 0.953 nan 8.280 nan 0.000 0.455 239 A N 1.623 124.589 122.820 0.242 0.000 2.302 239 A HA 0.716 5.036 4.320 0.000 0.000 0.285 239 A C -1.503 176.204 177.584 0.205 0.000 1.105 239 A CA -0.528 51.596 52.037 0.144 0.000 0.816 239 A CB 1.065 20.122 19.000 0.095 0.000 1.067 239 A HN 0.992 nan 8.150 nan 0.000 0.489 240 L N 2.153 123.447 121.223 0.118 0.000 2.446 240 L HA 0.573 4.913 4.340 0.000 0.000 0.268 240 L C 0.172 177.076 176.870 0.058 0.000 0.975 240 L CA 0.200 55.108 54.840 0.113 0.000 0.848 240 L CB 1.708 43.833 42.059 0.110 0.000 1.225 240 L HN 0.877 nan 8.230 nan 0.000 0.410 241 T N 1.855 116.437 114.554 0.046 0.000 2.945 241 T HA 0.621 4.971 4.350 0.000 0.000 0.286 241 T C -2.237 172.475 174.700 0.020 0.000 1.025 241 T CA -1.935 60.181 62.100 0.026 0.000 1.039 241 T CB 1.720 70.601 68.868 0.021 0.000 1.068 241 T HN 0.371 nan 8.240 nan 0.000 0.497 242 P HA -0.133 nan 4.420 nan 0.000 0.216 242 P C 1.760 179.066 177.300 0.009 0.000 1.153 242 P CA 1.009 64.116 63.100 0.011 0.000 0.848 242 P CB 0.068 31.771 31.700 0.007 0.000 0.787 243 E N 1.280 121.484 120.200 0.007 0.000 2.118 243 E HA -0.254 4.096 4.350 0.000 0.000 0.195 243 E C 1.664 178.265 176.600 0.002 0.000 0.992 243 E CA 1.560 57.962 56.400 0.004 0.000 0.804 243 E CB -1.145 28.557 29.700 0.003 0.000 0.741 243 E HN 0.520 nan 8.360 nan 0.000 0.458 244 E N 1.645 121.847 120.200 0.003 0.000 2.482 244 E HA -0.050 4.300 4.350 0.000 0.000 0.196 244 E C 1.511 178.106 176.600 -0.008 0.000 1.047 244 E CA 0.994 57.392 56.400 -0.004 0.000 0.869 244 E CB 0.079 29.777 29.700 -0.003 0.000 0.836 244 E HN 0.265 nan 8.360 nan 0.000 0.520 245 V N -3.312 116.602 119.914 -0.000 0.000 3.070 245 V HA 0.538 4.658 4.120 0.000 0.000 0.345 245 V C 0.980 177.078 176.094 0.006 0.000 1.403 245 V CA -0.155 62.146 62.300 0.001 0.000 1.155 245 V CB 0.040 31.869 31.823 0.009 0.000 1.140 245 V HN 0.230 nan 8.190 nan 0.000 0.505 246 G N 0.959 109.761 108.800 0.004 0.000 2.147 246 G HA2 -0.214 3.746 3.960 0.000 0.000 0.244 246 G HA3 -0.214 3.746 3.960 0.000 0.000 0.244 246 G C -0.252 174.652 174.900 0.007 0.000 1.005 246 G CA 0.665 45.768 45.100 0.005 0.000 0.713 246 G HN 0.614 nan 8.290 nan 0.000 0.515 247 L N -1.147 120.081 121.223 0.008 0.000 2.303 247 L HA 0.685 5.025 4.340 0.000 0.000 0.266 247 L C 0.487 177.360 176.870 0.005 0.000 1.011 247 L CA -1.236 53.609 54.840 0.008 0.000 0.818 247 L CB 1.694 43.760 42.059 0.011 0.000 1.326 247 L HN -0.030 nan 8.230 nan 0.000 0.435 248 K N 0.855 121.257 120.400 0.004 0.000 2.123 248 K HA 0.514 4.834 4.320 0.000 0.000 0.259 248 K C -0.716 175.884 176.600 0.001 0.000 0.960 248 K CA -0.866 55.422 56.287 0.002 0.000 0.872 248 K CB 1.641 34.141 32.500 0.001 0.000 1.079 248 K HN 0.437 nan 8.250 nan 0.000 0.440 249 R N 0.617 121.117 120.500 -0.000 0.000 2.679 249 R HA 0.468 4.808 4.340 0.000 0.000 0.269 249 R C -0.467 175.831 176.300 -0.003 0.000 1.076 249 R CA -0.314 55.785 56.100 -0.002 0.000 1.160 249 R CB 0.924 31.223 30.300 -0.002 0.000 1.054 249 R HN 0.662 nan 8.270 nan 0.000 0.507 250 A N 2.552 125.368 122.820 -0.005 0.000 2.589 250 A HA 0.479 4.799 4.320 0.000 0.000 0.296 250 A C -2.590 174.989 177.584 -0.009 0.000 1.062 250 A CA -1.447 50.586 52.037 -0.006 0.000 0.686 250 A CB 1.555 20.552 19.000 -0.006 0.000 1.282 250 A HN 0.517 nan 8.150 nan 0.000 0.404 251 P HA 0.230 nan 4.420 nan 0.000 0.272 251 P C 0.786 178.079 177.300 -0.012 0.000 1.230 251 P CA -0.334 62.760 63.100 -0.010 0.000 0.788 251 P CB 0.704 32.399 31.700 -0.008 0.000 0.949 252 L N 0.309 121.523 121.223 -0.015 0.000 2.127 252 L HA -0.222 4.118 4.340 0.000 0.000 0.211 252 L C 2.566 179.430 176.870 -0.011 0.000 1.089 252 L CA 1.665 56.495 54.840 -0.017 0.000 0.757 252 L CB -0.699 41.348 42.059 -0.021 0.000 0.899 252 L HN 0.468 nan 8.230 nan 0.000 0.434 253 E N 0.766 120.961 120.200 -0.008 0.000 2.171 253 E HA -0.239 4.111 4.350 0.000 0.000 0.197 253 E C 2.006 178.602 176.600 -0.006 0.000 0.997 253 E CA 1.504 57.900 56.400 -0.006 0.000 0.810 253 E CB -0.094 29.603 29.700 -0.004 0.000 0.738 253 E HN 0.403 nan 8.360 nan 0.000 0.467 254 A N -0.228 122.588 122.820 -0.007 0.000 2.168 254 A HA 0.017 4.337 4.320 0.000 0.000 0.215 254 A C 1.689 179.269 177.584 -0.007 0.000 1.152 254 A CA 0.770 52.803 52.037 -0.007 0.000 0.716 254 A CB -0.230 18.766 19.000 -0.007 0.000 0.794 254 A HN 0.327 nan 8.150 nan 0.000 0.465 255 L N -0.971 120.248 121.223 -0.007 0.000 2.857 255 L HA 0.170 4.510 4.340 0.000 0.000 0.249 255 L C 0.108 176.975 176.870 -0.005 0.000 1.172 255 L CA -0.212 54.623 54.840 -0.007 0.000 0.980 255 L CB 0.079 42.132 42.059 -0.009 0.000 1.299 255 L HN 0.148 nan 8.230 nan 0.000 0.535 256 K N 0.762 121.159 120.400 -0.004 0.000 2.237 256 K HA 0.438 4.758 4.320 0.000 0.000 0.270 256 K C 0.485 177.084 176.600 -0.002 0.000 1.015 256 K CA -0.087 56.199 56.287 -0.002 0.000 0.949 256 K CB 1.506 34.005 32.500 -0.001 0.000 0.976 256 K HN 0.087 nan 8.250 nan 0.000 0.472 257 G N 0.076 108.876 108.800 0.000 0.000 3.119 257 G HA2 0.701 4.661 3.960 0.000 0.000 0.206 257 G HA3 0.701 4.661 3.960 0.000 0.000 0.206 257 G C -0.395 174.505 174.900 0.001 0.000 1.313 257 G CA -0.181 44.919 45.100 -0.001 0.000 1.010 257 G HN 0.675 nan 8.290 nan 0.000 0.578 258 G N -1.639 107.161 108.800 0.000 0.000 3.255 258 G HA2 0.579 4.539 3.960 0.000 0.000 0.161 258 G HA3 0.579 4.539 3.960 0.000 0.000 0.161 258 G C 0.257 175.158 174.900 0.002 0.000 1.173 258 G CA 0.480 45.581 45.100 0.002 0.000 1.106 258 G HN 1.141 nan 8.290 nan 0.000 0.650 259 G N -0.083 108.717 108.800 0.000 0.000 2.621 259 G HA2 0.470 4.430 3.960 0.000 0.000 0.271 259 G HA3 0.470 4.430 3.960 0.000 0.000 0.271 259 G C -1.269 173.628 174.900 -0.004 0.000 1.236 259 G CA -0.291 44.809 45.100 0.000 0.000 0.958 259 G HN 0.278 nan 8.290 nan 0.000 0.512 260 P HA -0.103 nan 4.420 nan 0.000 0.215 260 P C 1.684 178.977 177.300 -0.012 0.000 1.157 260 P CA 1.140 64.233 63.100 -0.013 0.000 0.874 260 P CB 0.276 31.967 31.700 -0.014 0.000 0.790 261 E N -0.477 119.718 120.200 -0.008 0.000 2.107 261 E HA -0.183 4.167 4.350 0.000 0.000 0.191 261 E C 2.039 178.635 176.600 -0.007 0.000 0.982 261 E CA 0.946 57.343 56.400 -0.006 0.000 0.809 261 E CB -0.594 29.104 29.700 -0.004 0.000 0.756 261 E HN 0.455 nan 8.360 nan 0.000 0.459 262 E N 0.783 120.978 120.200 -0.007 0.000 2.047 262 E HA -0.167 4.183 4.350 0.000 0.000 0.191 262 E C 1.620 178.214 176.600 -0.010 0.000 0.987 262 E CA 0.974 57.370 56.400 -0.008 0.000 0.799 262 E CB 0.099 29.795 29.700 -0.006 0.000 0.752 262 E HN 0.067 nan 8.360 nan 0.000 0.449 263 N N 0.478 119.172 118.700 -0.010 0.000 2.223 263 N HA -0.124 4.617 4.740 0.000 0.000 0.185 263 N C 1.482 176.984 175.510 -0.013 0.000 1.016 263 N CA 1.252 54.294 53.050 -0.012 0.000 0.863 263 N CB -0.388 38.091 38.487 -0.014 0.000 0.983 263 N HN 0.245 nan 8.380 nan 0.000 0.429 264 A N 0.643 123.456 122.820 -0.012 0.000 1.898 264 A HA 0.069 4.389 4.320 0.000 0.000 0.216 264 A C 2.303 179.886 177.584 -0.001 0.000 1.181 264 A CA 1.751 53.785 52.037 -0.004 0.000 0.620 264 A CB -0.880 18.119 19.000 -0.002 0.000 0.819 264 A HN 0.294 nan 8.150 nan 0.000 0.442 265 A N -0.190 122.625 122.820 -0.008 0.000 1.902 265 A HA -0.045 4.275 4.320 0.000 0.000 0.217 265 A C 2.175 179.743 177.584 -0.028 0.000 1.181 265 A CA 1.520 53.547 52.037 -0.017 0.000 0.623 265 A CB -0.598 18.392 19.000 -0.017 0.000 0.818 265 A HN 0.471 nan 8.150 nan 0.000 0.443 266 L N -0.848 120.361 121.223 -0.022 0.000 2.056 266 L HA -0.172 4.169 4.340 0.000 0.000 0.207 266 L C 3.123 179.976 176.870 -0.028 0.000 1.078 266 L CA 1.013 55.837 54.840 -0.026 0.000 0.749 266 L CB -0.608 41.440 42.059 -0.019 0.000 0.901 266 L HN 0.429 nan 8.230 nan 0.000 0.433 267 A N 0.261 123.070 122.820 -0.018 0.000 1.908 267 A HA -0.234 4.086 4.320 0.000 0.000 0.218 267 A C 2.396 179.976 177.584 -0.007 0.000 1.181 267 A CA 1.694 53.726 52.037 -0.008 0.000 0.627 267 A CB -0.517 18.483 19.000 0.001 0.000 0.818 267 A HN 0.338 nan 8.150 nan 0.000 0.445 268 R N -0.841 119.645 120.500 -0.023 0.000 2.073 268 R HA -0.100 4.240 4.340 0.000 0.000 0.234 268 R C 2.487 178.654 176.300 -0.222 0.000 1.134 268 R CA 1.548 57.572 56.100 -0.126 0.000 0.952 268 R CB -0.347 29.875 30.300 -0.129 0.000 0.850 268 R HN 0.501 nan 8.270 nan 0.000 0.433 269 R N 0.588 121.005 120.500 -0.138 0.000 2.081 269 R HA -0.084 4.256 4.340 0.000 0.000 0.235 269 R C 2.409 178.652 176.300 -0.095 0.000 1.131 269 R CA 1.180 57.206 56.100 -0.123 0.000 0.960 269 R CB -0.396 29.857 30.300 -0.078 0.000 0.856 269 R HN 0.206 nan 8.270 nan 0.000 0.436 270 L N 0.546 121.731 121.223 -0.063 0.000 2.005 270 L HA -0.170 4.170 4.340 0.000 0.000 0.207 270 L C 2.379 179.230 176.870 -0.030 0.000 1.072 270 L CA 1.229 56.046 54.840 -0.038 0.000 0.744 270 L CB -0.423 41.622 42.059 -0.024 0.000 0.895 270 L HN 0.165 nan 8.230 nan 0.000 0.433 271 L N -0.423 120.789 121.223 -0.019 0.000 2.191 271 L HA -0.190 4.150 4.340 0.000 0.000 0.212 271 L C 2.268 179.150 176.870 0.020 0.000 1.103 271 L CA 1.166 56.024 54.840 0.030 0.000 0.769 271 L CB -0.423 41.713 42.059 0.128 0.000 0.908 271 L HN 0.229 nan 8.230 nan 0.000 0.438 272 K N -0.008 120.332 120.400 -0.101 0.000 2.459 272 K HA 0.088 4.408 4.320 0.000 0.000 0.193 272 K C 1.225 177.788 176.600 -0.061 0.000 1.030 272 K CA 0.575 56.783 56.287 -0.131 0.000 1.026 272 K CB 0.153 32.474 32.500 -0.298 0.000 0.809 272 K HN 0.381 nan 8.250 nan 0.000 0.504 273 G N 1.827 110.601 108.800 -0.043 0.000 2.147 273 G HA2 -0.289 3.671 3.960 0.000 0.000 0.244 273 G HA3 -0.289 3.671 3.960 0.000 0.000 0.244 273 G C 0.410 175.290 174.900 -0.033 0.000 1.005 273 G CA 0.559 45.644 45.100 -0.024 0.000 0.713 273 G HN 0.463 nan 8.290 nan 0.000 0.515 274 E N -0.425 119.744 120.200 -0.052 0.000 2.216 274 E HA 0.105 4.455 4.350 0.000 0.000 0.192 274 E C 1.035 177.612 176.600 -0.039 0.000 0.973 274 E CA 0.325 56.695 56.400 -0.049 0.000 0.851 274 E CB 0.413 30.072 29.700 -0.069 0.000 0.804 274 E HN 0.625 nan 8.360 nan 0.000 0.477 275 E N 1.547 121.724 120.200 -0.039 0.000 2.130 275 E HA 0.050 4.401 4.350 0.000 0.000 0.284 275 E C 0.151 176.739 176.600 -0.020 0.000 1.018 275 E CA -0.240 56.142 56.400 -0.029 0.000 0.817 275 E CB 0.492 30.173 29.700 -0.032 0.000 1.078 275 E HN -0.159 nan 8.360 nan 0.000 0.396 276 K N 3.081 123.472 120.400 -0.015 0.000 2.373 276 K HA 0.188 4.508 4.320 0.000 0.000 0.202 276 K C 0.629 177.225 176.600 -0.007 0.000 1.025 276 K CA -0.111 56.170 56.287 -0.009 0.000 1.115 276 K CB 1.124 33.619 32.500 -0.008 0.000 0.858 276 K HN 0.584 nan 8.250 nan 0.000 0.525 277 G N 2.226 111.021 108.800 -0.009 0.000 2.525 277 G HA2 0.068 4.028 3.960 0.000 0.000 0.276 277 G HA3 0.068 4.028 3.960 0.000 0.000 0.276 277 G C -1.668 173.228 174.900 -0.005 0.000 1.388 277 G CA -0.790 44.306 45.100 -0.007 0.000 1.050 277 G HN -0.128 nan 8.290 nan 0.000 0.520 278 P HA -0.126 nan 4.420 nan 0.000 0.216 278 P C 2.156 179.453 177.300 -0.004 0.000 1.154 278 P CA 0.960 64.058 63.100 -0.004 0.000 0.865 278 P CB 0.030 31.727 31.700 -0.005 0.000 0.789 279 L N -1.356 119.864 121.223 -0.006 0.000 2.042 279 L HA -0.227 4.113 4.340 0.000 0.000 0.210 279 L C 2.444 179.312 176.870 -0.005 0.000 1.076 279 L CA 1.727 56.563 54.840 -0.007 0.000 0.749 279 L CB -1.124 40.930 42.059 -0.009 0.000 0.893 279 L HN -0.017 nan 8.230 nan 0.000 0.432 280 A N -0.387 122.430 122.820 -0.004 0.000 1.930 280 A HA -0.209 4.111 4.320 0.000 0.000 0.217 280 A C 1.922 179.510 177.584 0.005 0.000 1.175 280 A CA 1.810 53.846 52.037 -0.001 0.000 0.627 280 A CB -0.432 18.567 19.000 -0.002 0.000 0.815 280 A HN 0.361 nan 8.150 nan 0.000 0.443 281 D N 0.216 120.619 120.400 0.005 0.000 2.117 281 D HA -0.047 4.593 4.640 0.000 0.000 0.198 281 D C 2.218 178.524 176.300 0.009 0.000 0.982 281 D CA 1.488 55.494 54.000 0.009 0.000 0.828 281 D CB -0.420 40.383 40.800 0.006 0.000 0.967 281 D HN 0.424 nan 8.370 nan 0.000 0.464 282 A N 0.685 123.507 122.820 0.004 0.000 1.930 282 A HA -0.110 4.210 4.320 0.000 0.000 0.217 282 A C 2.526 180.112 177.584 0.004 0.000 1.175 282 A CA 1.014 53.053 52.037 0.003 0.000 0.627 282 A CB -0.633 18.365 19.000 -0.002 0.000 0.815 282 A HN 0.139 nan 8.150 nan 0.000 0.443 283 V N -0.214 119.702 119.914 0.003 0.000 2.358 283 V HA -0.211 3.909 4.120 0.000 0.000 0.246 283 V C 3.024 179.121 176.094 0.006 0.000 1.047 283 V CA 1.818 64.118 62.300 -0.000 0.000 1.035 283 V CB -1.121 30.700 31.823 -0.003 0.000 0.658 283 V HN 0.599 nan 8.190 nan 0.000 0.452 284 A N -0.226 122.606 122.820 0.020 0.000 1.969 284 A HA -0.169 4.151 4.320 0.000 0.000 0.218 284 A C 2.137 179.749 177.584 0.045 0.000 1.169 284 A CA 1.909 53.971 52.037 0.042 0.000 0.635 284 A CB -0.490 18.538 19.000 0.047 0.000 0.810 284 A HN 0.451 nan 8.150 nan 0.000 0.445 285 L N -0.261 120.981 121.223 0.031 0.000 2.027 285 L HA -0.017 4.323 4.340 0.000 0.000 0.206 285 L C 2.626 179.515 176.870 0.032 0.000 1.074 285 L CA 2.289 57.149 54.840 0.034 0.000 0.745 285 L CB -0.839 41.234 42.059 0.023 0.000 0.898 285 L HN 0.308 nan 8.230 nan 0.000 0.433 286 A N -0.620 122.209 122.820 0.015 0.000 1.930 286 A HA 0.008 4.328 4.320 0.000 0.000 0.217 286 A C 2.412 179.978 177.584 -0.030 0.000 1.175 286 A CA 1.546 53.586 52.037 0.005 0.000 0.627 286 A CB -1.092 17.908 19.000 0.001 0.000 0.815 286 A HN 0.565 nan 8.150 nan 0.000 0.443 287 A N -0.441 122.343 122.820 -0.061 0.000 1.930 287 A HA 0.171 4.491 4.320 0.000 0.000 0.217 287 A C 2.356 179.822 177.584 -0.196 0.000 1.175 287 A CA 1.760 53.677 52.037 -0.199 0.000 0.627 287 A CB -1.248 17.642 19.000 -0.182 0.000 0.815 287 A HN 0.674 nan 8.150 nan 0.000 0.443 288 G N -0.427 108.402 108.800 0.048 0.000 2.418 288 G HA2 0.021 3.981 3.960 0.000 0.000 0.217 288 G HA3 0.021 3.981 3.960 0.000 0.000 0.217 288 G C 1.711 176.729 174.900 0.196 0.000 1.158 288 G CA 1.307 46.538 45.100 0.217 0.000 0.771 288 G HN 0.765 nan 8.290 nan 0.000 0.545 289 A N 0.827 123.719 122.820 0.121 0.000 1.933 289 A HA 0.177 4.497 4.320 0.000 0.000 0.218 289 A C 2.662 180.338 177.584 0.155 0.000 1.175 289 A CA 2.010 54.147 52.037 0.165 0.000 0.628 289 A CB -0.914 18.156 19.000 0.116 0.000 0.814 289 A HN 0.491 nan 8.150 nan 0.000 0.444 290 G N -1.095 107.715 108.800 0.018 0.000 2.404 290 G HA2 -0.127 3.833 3.960 0.000 0.000 0.215 290 G HA3 -0.127 3.833 3.960 0.000 0.000 0.215 290 G C 1.302 176.198 174.900 -0.007 0.000 1.174 290 G CA 1.045 46.106 45.100 -0.064 0.000 0.780 290 G HN 0.383 nan 8.290 nan 0.000 0.537 291 F N -0.275 119.727 119.950 0.086 0.000 2.126 291 F HA -0.009 4.518 4.527 0.000 0.000 0.299 291 F C 2.339 178.206 175.800 0.111 0.000 1.096 291 F CA 0.599 58.647 58.000 0.080 0.000 1.255 291 F CB -0.913 38.136 39.000 0.082 0.000 0.997 291 F HN 0.229 nan 8.300 nan 0.000 0.479 292 Y N 0.611 121.046 120.300 0.224 0.000 2.163 292 Y HA -0.088 4.462 4.550 0.000 0.000 0.288 292 Y C 2.366 178.334 175.900 0.114 0.000 1.136 292 Y CA 1.135 59.323 58.100 0.147 0.000 1.147 292 Y CB -0.861 37.677 38.460 0.130 0.000 0.987 292 Y HN -0.029 nan 8.280 nan 0.000 0.509 293 A N 0.485 123.313 122.820 0.013 0.000 1.940 293 A HA -0.117 4.204 4.320 0.000 0.000 0.219 293 A C 2.308 179.838 177.584 -0.090 0.000 1.176 293 A CA 1.937 53.927 52.037 -0.079 0.000 0.631 293 A CB -1.410 17.613 19.000 0.038 0.000 0.814 293 A HN 0.594 nan 8.150 nan 0.000 0.446 294 A N -2.132 120.672 122.820 -0.027 0.000 2.208 294 A HA 0.404 4.724 4.320 0.000 0.000 0.209 294 A C 1.840 179.416 177.584 -0.013 0.000 1.161 294 A CA 1.237 53.265 52.037 -0.015 0.000 0.782 294 A CB -0.845 18.169 19.000 0.023 0.000 0.816 294 A HN 1.926 nan 8.150 nan 0.000 0.477 295 G N -0.549 108.226 108.800 -0.042 0.000 2.143 295 G HA2 -0.317 3.643 3.960 0.000 0.000 0.249 295 G HA3 -0.317 3.643 3.960 0.000 0.000 0.249 295 G C 0.953 175.871 174.900 0.029 0.000 0.981 295 G CA 0.983 46.061 45.100 -0.037 0.000 0.665 295 G HN 0.524 nan 8.290 nan 0.000 0.528 296 K N 0.959 121.411 120.400 0.087 0.000 2.103 296 K HA 0.109 4.429 4.320 0.000 0.000 0.204 296 K C 1.584 178.212 176.600 0.045 0.000 1.052 296 K CA 1.924 58.262 56.287 0.085 0.000 0.945 296 K CB -0.167 32.445 32.500 0.187 0.000 0.722 296 K HN 0.782 nan 8.250 nan 0.000 0.443 297 T N -2.111 112.510 114.554 0.111 0.000 2.887 297 T HA 0.385 4.735 4.350 0.000 0.000 0.288 297 T C -2.111 172.708 174.700 0.197 0.000 1.021 297 T CA -1.919 60.246 62.100 0.109 0.000 1.000 297 T CB 1.849 70.787 68.868 0.115 0.000 1.034 297 T HN -0.097 nan 8.240 nan 0.000 0.467 298 P HA 0.070 nan 4.420 nan 0.000 0.233 298 P C 0.323 177.792 177.300 0.281 0.000 1.167 298 P CA 0.230 63.442 63.100 0.187 0.000 0.770 298 P CB 0.142 31.899 31.700 0.094 0.000 0.837 299 S N -2.209 113.617 115.700 0.210 0.000 2.638 299 S HA 0.375 4.845 4.470 0.000 0.000 0.274 299 S C 0.673 175.172 174.600 -0.169 0.000 1.157 299 S CA -0.851 57.310 58.200 -0.066 0.000 0.826 299 S CB 0.763 63.919 63.200 -0.074 0.000 1.139 299 S HN -0.145 nan 8.310 nan 0.000 0.474 300 L N 1.200 122.152 121.223 -0.452 0.000 2.093 300 L HA 0.048 4.388 4.340 0.000 0.000 0.208 300 L C 2.792 179.628 176.870 -0.056 0.000 1.085 300 L CA 1.378 56.080 54.840 -0.230 0.000 0.755 300 L CB -0.390 41.523 42.059 -0.242 0.000 0.904 300 L HN 0.870 nan 8.230 nan 0.000 0.435 301 K N 0.386 120.743 120.400 -0.072 0.000 2.032 301 K HA -0.276 4.044 4.320 0.000 0.000 0.209 301 K C 2.081 178.684 176.600 0.004 0.000 1.048 301 K CA 1.952 58.224 56.287 -0.025 0.000 0.927 301 K CB 0.035 32.514 32.500 -0.035 0.000 0.712 301 K HN 0.075 nan 8.250 nan 0.000 0.441 302 E N -0.057 120.146 120.200 0.005 0.000 2.150 302 E HA -0.081 4.269 4.350 0.000 0.000 0.193 302 E C 1.742 178.366 176.600 0.039 0.000 0.985 302 E CA 1.568 57.977 56.400 0.014 0.000 0.814 302 E CB -0.489 29.219 29.700 0.013 0.000 0.752 302 E HN 0.449 nan 8.360 nan 0.000 0.466 303 G N -0.003 108.859 108.800 0.104 0.000 2.418 303 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 303 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 303 G C 1.704 176.754 174.900 0.250 0.000 1.158 303 G CA 0.975 46.213 45.100 0.230 0.000 0.771 303 G HN 0.257 nan 8.290 nan 0.000 0.545 304 V N 1.514 121.517 119.914 0.149 0.000 2.427 304 V HA -0.104 4.016 4.120 0.000 0.000 0.248 304 V C 3.301 179.453 176.094 0.096 0.000 1.051 304 V CA 1.897 64.270 62.300 0.121 0.000 1.048 304 V CB -0.734 31.130 31.823 0.068 0.000 0.666 304 V HN 0.478 nan 8.190 nan 0.000 0.456 305 A N -0.062 122.793 122.820 0.058 0.000 1.877 305 A HA -0.208 4.112 4.320 0.000 0.000 0.216 305 A C 2.168 179.766 177.584 0.024 0.000 1.186 305 A CA 2.131 54.185 52.037 0.029 0.000 0.620 305 A CB -0.600 18.403 19.000 0.006 0.000 0.822 305 A HN 0.448 nan 8.150 nan 0.000 0.443 306 L N -0.263 120.958 121.223 -0.003 0.000 2.046 306 L HA -0.050 4.290 4.340 0.000 0.000 0.208 306 L C 2.664 179.577 176.870 0.071 0.000 1.077 306 L CA 2.169 56.959 54.840 -0.084 0.000 0.747 306 L CB -0.772 41.058 42.059 -0.382 0.000 0.896 306 L HN 0.347 nan 8.230 nan 0.000 0.432 307 A N -0.403 122.579 122.820 0.270 0.000 1.902 307 A HA -0.213 4.107 4.320 0.000 0.000 0.217 307 A C 2.396 180.076 177.584 0.160 0.000 1.181 307 A CA 1.740 53.987 52.037 0.350 0.000 0.623 307 A CB -0.534 18.646 19.000 0.299 0.000 0.818 307 A HN 0.511 nan 8.150 nan 0.000 0.443 308 R N -0.349 120.213 120.500 0.103 0.000 2.096 308 R HA -0.139 4.201 4.340 0.000 0.000 0.235 308 R C 2.091 178.420 176.300 0.048 0.000 1.127 308 R CA 1.622 57.758 56.100 0.060 0.000 0.968 308 R CB -0.317 30.008 30.300 0.042 0.000 0.861 308 R HN 0.690 nan 8.270 nan 0.000 0.440 309 E N 0.120 120.346 120.200 0.044 0.000 2.072 309 E HA -0.130 4.220 4.350 0.000 0.000 0.191 309 E C 2.065 178.688 176.600 0.039 0.000 0.985 309 E CA 1.198 57.615 56.400 0.028 0.000 0.801 309 E CB 0.038 29.742 29.700 0.007 0.000 0.750 309 E HN 0.068 nan 8.360 nan 0.000 0.452 310 V N 1.329 121.283 119.914 0.067 0.000 2.343 310 V HA -0.239 3.881 4.120 0.000 0.000 0.247 310 V C 2.277 178.410 176.094 0.065 0.000 1.051 310 V CA 1.319 63.667 62.300 0.082 0.000 1.036 310 V CB -0.355 31.563 31.823 0.159 0.000 0.654 310 V HN 0.215 nan 8.190 nan 0.000 0.451 311 L N 0.795 122.057 121.223 0.064 0.000 2.017 311 L HA -0.086 4.254 4.340 0.000 0.000 0.208 311 L C 2.451 179.337 176.870 0.027 0.000 1.073 311 L CA 2.370 57.234 54.840 0.040 0.000 0.745 311 L CB -0.898 41.181 42.059 0.035 0.000 0.894 311 L HN 0.241 nan 8.230 nan 0.000 0.432 312 A N -1.279 121.556 122.820 0.025 0.000 2.019 312 A HA -0.181 4.139 4.320 0.000 0.000 0.219 312 A C 2.447 180.040 177.584 0.014 0.000 1.164 312 A CA 1.648 53.693 52.037 0.014 0.000 0.644 312 A CB -0.949 18.058 19.000 0.012 0.000 0.805 312 A HN 0.648 nan 8.150 nan 0.000 0.449 313 S N -1.597 114.117 115.700 0.022 0.000 2.423 313 S HA 0.247 4.717 4.470 0.000 0.000 0.231 313 S C 1.689 176.306 174.600 0.029 0.000 1.014 313 S CA 1.393 59.607 58.200 0.023 0.000 0.965 313 S CB -0.593 62.623 63.200 0.027 0.000 0.785 313 S HN 1.934 nan 8.310 nan 0.000 0.495 314 G N 0.912 109.732 108.800 0.034 0.000 2.179 314 G HA2 -0.304 3.657 3.960 0.000 0.000 0.260 314 G HA3 -0.304 3.657 3.960 0.000 0.000 0.260 314 G C 0.558 175.508 174.900 0.084 0.000 0.977 314 G CA 0.485 45.616 45.100 0.052 0.000 0.641 314 G HN 0.576 nan 8.290 nan 0.000 0.533 315 E N 0.161 120.396 120.200 0.058 0.000 2.268 315 E HA 0.168 4.518 4.350 0.000 0.000 0.195 315 E C 2.813 179.434 176.600 0.034 0.000 0.995 315 E CA 1.000 57.429 56.400 0.047 0.000 0.836 315 E CB -0.164 29.558 29.700 0.035 0.000 0.763 315 E HN 0.737 nan 8.360 nan 0.000 0.491 316 A N 0.414 123.255 122.820 0.035 0.000 1.969 316 A HA -0.187 4.133 4.320 0.000 0.000 0.218 316 A C 1.917 179.499 177.584 -0.003 0.000 1.169 316 A CA 0.950 52.981 52.037 -0.011 0.000 0.635 316 A CB -0.491 18.501 19.000 -0.014 0.000 0.810 316 A HN 0.373 nan 8.150 nan 0.000 0.445 317 Y N -0.187 120.077 120.300 -0.059 0.000 2.263 317 Y HA -0.073 4.477 4.550 0.000 0.000 0.292 317 Y C 1.927 177.804 175.900 -0.038 0.000 1.130 317 Y CA 1.427 59.495 58.100 -0.053 0.000 1.179 317 Y CB -0.294 38.145 38.460 -0.034 0.000 0.998 317 Y HN 0.241 nan 8.280 nan 0.000 0.532 318 L N -0.196 121.010 121.223 -0.029 0.000 2.046 318 L HA -0.168 4.172 4.340 0.000 0.000 0.208 318 L C 2.286 179.085 176.870 -0.118 0.000 1.077 318 L CA 1.736 56.526 54.840 -0.085 0.000 0.747 318 L CB -1.130 40.931 42.059 0.003 0.000 0.896 318 L HN 0.388 nan 8.230 nan 0.000 0.432 319 L N -0.893 120.273 121.223 -0.095 0.000 2.012 319 L HA -0.187 4.153 4.340 0.000 0.000 0.210 319 L C 2.328 179.124 176.870 -0.125 0.000 1.073 319 L CA 2.023 56.806 54.840 -0.096 0.000 0.748 319 L CB -0.947 41.038 42.059 -0.123 0.000 0.891 319 L HN 0.403 nan 8.230 nan 0.000 0.431 320 L N -0.181 120.913 121.223 -0.215 0.000 2.012 320 L HA -0.223 4.117 4.340 0.000 0.000 0.210 320 L C 2.374 179.170 176.870 -0.123 0.000 1.073 320 L CA 1.919 56.638 54.840 -0.200 0.000 0.748 320 L CB -0.835 41.073 42.059 -0.251 0.000 0.891 320 L HN 0.434 nan 8.230 nan 0.000 0.431 321 E N -0.581 119.462 120.200 -0.261 0.000 2.058 321 E HA -0.248 4.102 4.350 0.000 0.000 0.194 321 E C 2.274 178.844 176.600 -0.050 0.000 0.997 321 E CA 1.502 57.779 56.400 -0.205 0.000 0.801 321 E CB -0.169 29.364 29.700 -0.279 0.000 0.746 321 E HN 0.532 nan 8.360 nan 0.000 0.450 322 R N -0.293 120.199 120.500 -0.013 0.000 2.115 322 R HA -0.151 4.189 4.340 0.000 0.000 0.230 322 R C 2.294 178.685 176.300 0.153 0.000 1.111 322 R CA 1.119 57.258 56.100 0.065 0.000 0.976 322 R CB -0.350 29.984 30.300 0.056 0.000 0.870 322 R HN 0.266 nan 8.270 nan 0.000 0.445 323 Y N 1.355 121.674 120.300 0.031 0.000 2.163 323 Y HA -0.192 4.358 4.550 0.000 0.000 0.288 323 Y C 2.169 178.160 175.900 0.152 0.000 1.136 323 Y CA 1.094 59.261 58.100 0.112 0.000 1.147 323 Y CB -0.319 38.215 38.460 0.124 0.000 0.987 323 Y HN -0.268 nan 8.280 nan 0.000 0.509 324 V N 0.425 120.381 119.914 0.070 0.000 2.287 324 V HA -0.358 3.762 4.120 0.000 0.000 0.248 324 V C 2.651 178.725 176.094 -0.034 0.000 1.053 324 V CA 1.978 64.267 62.300 -0.018 0.000 1.027 324 V CB -1.585 30.241 31.823 0.006 0.000 0.646 324 V HN 0.556 nan 8.190 nan 0.000 0.447 325 A N -0.941 121.885 122.820 0.010 0.000 1.930 325 A HA -0.204 4.116 4.320 0.000 0.000 0.217 325 A C 2.098 179.694 177.584 0.020 0.000 1.175 325 A CA 1.760 53.803 52.037 0.012 0.000 0.627 325 A CB -0.687 18.331 19.000 0.029 0.000 0.815 325 A HN 0.505 nan 8.150 nan 0.000 0.443 326 F N 0.669 120.564 119.950 -0.092 0.000 2.126 326 F HA -0.142 4.385 4.527 0.000 0.000 0.299 326 F C 1.881 177.604 175.800 -0.129 0.000 1.096 326 F CA 1.753 59.699 58.000 -0.090 0.000 1.255 326 F CB -0.131 38.827 39.000 -0.069 0.000 0.997 326 F HN 0.132 nan 8.300 nan 0.000 0.479 327 L N -0.501 120.688 121.223 -0.055 0.000 2.291 327 L HA -0.102 4.238 4.340 0.000 0.000 0.214 327 L C 2.208 179.007 176.870 -0.118 0.000 1.120 327 L CA 0.922 55.692 54.840 -0.116 0.000 0.799 327 L CB -0.515 41.440 42.059 -0.172 0.000 0.925 327 L HN 0.057 nan 8.230 nan 0.000 0.446 328 R N 0.001 120.437 120.500 -0.106 0.000 2.246 328 R HA 0.186 4.526 4.340 0.000 0.000 0.199 328 R C 1.193 177.430 176.300 -0.105 0.000 0.984 328 R CA 0.208 56.256 56.100 -0.085 0.000 1.015 328 R CB 0.065 30.330 30.300 -0.058 0.000 0.930 328 R HN 0.233 nan 8.270 nan 0.000 0.475 329 A N 0.000 122.725 122.820 -0.158 0.000 2.254 329 A HA 0.000 4.320 4.320 0.000 0.000 0.244 329 A CA 0.000 51.935 52.037 -0.170 0.000 0.836 329 A CB 0.000 18.842 19.000 -0.264 0.000 0.831 329 A HN 0.000 nan 8.150 nan 0.000 0.486