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 3h8g_1_B DATA FIRST_RESID 1 DATA SEQUENCE MELVVKSVAA ASVKTATLVI PVGENRKLGA VAKAVDLASE GAISAVLKRG DATA SEQUENCE DLAGKPGQTL LLQNLQGLKA ERVLLVGSGK DEALGDRTWR KLVASVAGVL DATA SEQUENCE KGLNGADAVL ALDDVAVNNR DAHYGKYRLL AETLLDGEYV FDRFKSQKVE DATA SEQUENCE PRALKKVTLL ADKAGQAEVE RAVKHASAIA TGMAFTRDLG NLPPNLCHPS DATA SEQUENCE FLAEQAKELG KAHKALKVEV LDEKKIKDLG MGAFYAVGQG SDQPPRLIVL DATA SEQUENCE NYQGGKKADK PFVLVGKGIT FDTGGISLKP GAGMDEMKYD MCGAASVFGT DATA SEQUENCE LRAVLELQLP VNLVCLLACA ENMPSGGATR PGDIVTTMSG QTVEILNTDA DATA SEQUENCE EGRLVLCDTL TYAERFKPQA VIDIATLTGA CIVALGSHTT GLMGNNDDLV DATA SEQUENCE GQLLDAGKRA DDRAWQLPLF DEYQEQLDSP FADMGNIGGP KAGTITAGCF DATA SEQUENCE LSRFAKAYNW AHMDIAGTAW ISGGKDKGAT GRPVPLLTQY LLDRAGA 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 0.000 176.308 176.300 0.013 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.609 32.600 0.016 0.000 1.302 2 E N 3.437 123.642 120.200 0.009 0.000 2.289 2 E HA 0.452 4.802 4.350 0.000 0.000 0.278 2 E C -1.901 174.703 176.600 0.008 0.000 1.032 2 E CA -0.497 55.908 56.400 0.008 0.000 0.854 2 E CB 1.172 30.875 29.700 0.004 0.000 1.046 2 E HN 0.552 nan 8.360 nan 0.000 0.409 3 L N 6.452 127.680 121.223 0.008 0.000 2.372 3 L HA 0.426 4.766 4.340 0.000 0.000 0.273 3 L C -1.364 175.504 176.870 -0.003 0.000 0.989 3 L CA -0.633 54.211 54.840 0.006 0.000 0.841 3 L CB 1.448 43.516 42.059 0.015 0.000 1.225 3 L HN 0.428 nan 8.230 nan 0.000 0.414 4 V N 5.642 125.549 119.914 -0.011 0.000 3.046 4 V HA 0.776 4.896 4.120 0.000 0.000 0.316 4 V C -1.116 174.955 176.094 -0.039 0.000 1.104 4 V CA -0.500 61.788 62.300 -0.021 0.000 1.006 4 V CB 2.709 34.522 31.823 -0.016 0.000 1.058 4 V HN 0.444 nan 8.190 nan 0.000 0.440 5 V N 4.770 124.654 119.914 -0.051 0.000 2.540 5 V HA 0.636 4.756 4.120 0.000 0.000 0.302 5 V C -0.288 175.770 176.094 -0.060 0.000 1.035 5 V CA -0.749 61.505 62.300 -0.077 0.000 0.873 5 V CB 1.686 33.444 31.823 -0.109 0.000 0.992 5 V HN 0.942 nan 8.190 nan 0.000 0.428 6 K N 1.588 121.954 120.400 -0.057 0.000 2.433 6 K HA 0.625 4.945 4.320 0.000 0.000 0.252 6 K C 0.089 176.663 176.600 -0.043 0.000 1.015 6 K CA -0.492 55.770 56.287 -0.042 0.000 0.860 6 K CB 2.249 34.733 32.500 -0.026 0.000 1.359 6 K HN 0.676 nan 8.250 nan 0.000 0.452 7 S N -1.277 114.403 115.700 -0.034 0.000 2.846 7 S HA 0.097 4.568 4.470 0.000 0.000 0.249 7 S C 0.455 175.047 174.600 -0.014 0.000 1.028 7 S CA -0.635 57.547 58.200 -0.029 0.000 1.043 7 S CB -0.447 62.729 63.200 -0.040 0.000 0.990 7 S HN 0.380 nan 8.310 nan 0.000 0.564 8 V N 0.004 119.912 119.914 -0.010 0.000 3.185 8 V HA 0.825 4.945 4.120 0.000 0.000 0.305 8 V C 0.655 176.751 176.094 0.003 0.000 1.090 8 V CA -0.666 61.632 62.300 -0.003 0.000 1.107 8 V CB 0.018 31.839 31.823 -0.003 0.000 1.061 8 V HN 0.505 nan 8.190 nan 0.000 0.480 9 A N 2.603 125.427 122.820 0.006 0.000 2.477 9 A HA 0.629 4.950 4.320 0.000 0.000 0.246 9 A C 1.589 179.181 177.584 0.013 0.000 1.078 9 A CA 0.196 52.240 52.037 0.011 0.000 0.770 9 A CB 0.200 19.206 19.000 0.010 0.000 1.011 9 A HN 1.983 nan 8.150 nan 0.000 0.494 10 A N 2.772 125.603 122.820 0.019 0.000 1.917 10 A HA 0.026 4.346 4.320 0.000 0.000 0.219 10 A C 2.308 179.902 177.584 0.017 0.000 1.182 10 A CA 2.465 54.515 52.037 0.021 0.000 0.633 10 A CB -0.944 18.074 19.000 0.029 0.000 0.819 10 A HN 1.784 nan 8.150 nan 0.000 0.448 11 A N -0.067 122.763 122.820 0.015 0.000 2.121 11 A HA 0.009 4.329 4.320 0.000 0.000 0.218 11 A C 2.323 179.913 177.584 0.010 0.000 1.154 11 A CA 1.948 53.992 52.037 0.013 0.000 0.679 11 A CB -0.715 18.292 19.000 0.012 0.000 0.795 11 A HN 1.049 nan 8.150 nan 0.000 0.458 12 S N -1.253 114.452 115.700 0.009 0.000 2.527 12 S HA 0.150 4.620 4.470 0.000 0.000 0.222 12 S C 0.550 175.154 174.600 0.005 0.000 0.985 12 S CA 0.448 58.651 58.200 0.006 0.000 0.921 12 S CB -0.499 62.704 63.200 0.005 0.000 0.772 12 S HN 0.381 nan 8.310 nan 0.000 0.529 13 V N 2.557 122.475 119.914 0.007 0.000 2.406 13 V HA 0.402 4.523 4.120 0.000 0.000 0.272 13 V C -0.071 176.026 176.094 0.006 0.000 1.043 13 V CA -0.909 61.395 62.300 0.006 0.000 0.915 13 V CB 0.985 32.812 31.823 0.007 0.000 0.988 13 V HN 0.472 nan 8.190 nan 0.000 0.466 14 K N 4.739 125.141 120.400 0.004 0.000 2.379 14 K HA 0.456 4.777 4.320 0.000 0.000 0.284 14 K C -0.366 176.236 176.600 0.004 0.000 1.044 14 K CA 0.218 56.507 56.287 0.004 0.000 0.974 14 K CB 0.634 33.135 32.500 0.002 0.000 0.962 14 K HN 0.866 nan 8.250 nan 0.000 0.474 15 T N 1.876 116.432 114.554 0.005 0.000 2.886 15 T HA 0.398 4.748 4.350 0.000 0.000 0.330 15 T C 0.349 175.052 174.700 0.005 0.000 1.488 15 T CA -0.022 62.081 62.100 0.005 0.000 1.054 15 T CB 1.246 70.119 68.868 0.008 0.000 1.348 15 T HN 0.546 nan 8.240 nan 0.000 0.489 16 A N 1.874 124.697 122.820 0.005 0.000 1.930 16 A HA 0.307 4.628 4.320 0.000 0.000 0.217 16 A C 0.910 178.497 177.584 0.006 0.000 1.175 16 A CA 1.427 53.466 52.037 0.004 0.000 0.627 16 A CB -0.305 18.697 19.000 0.003 0.000 0.815 16 A HN 0.823 nan 8.150 nan 0.000 0.443 17 T N -0.472 114.086 114.554 0.008 0.000 3.109 17 T HA 0.470 4.821 4.350 0.000 0.000 0.311 17 T C -1.281 173.427 174.700 0.013 0.000 1.011 17 T CA -0.420 61.686 62.100 0.010 0.000 1.026 17 T CB 1.539 70.412 68.868 0.008 0.000 1.047 17 T HN 0.243 nan 8.240 nan 0.000 0.448 18 L N 4.663 125.896 121.223 0.016 0.000 2.282 18 L HA 0.768 5.109 4.340 0.000 0.000 0.288 18 L C -0.955 175.930 176.870 0.025 0.000 1.033 18 L CA -0.375 54.477 54.840 0.021 0.000 0.807 18 L CB 1.036 43.107 42.059 0.020 0.000 1.209 18 L HN 0.483 nan 8.230 nan 0.000 0.423 19 V N 6.837 126.771 119.914 0.033 0.000 2.384 19 V HA 0.538 4.658 4.120 0.000 0.000 0.287 19 V C 0.058 176.183 176.094 0.051 0.000 1.020 19 V CA -0.457 61.865 62.300 0.037 0.000 0.850 19 V CB 1.169 33.014 31.823 0.037 0.000 0.987 19 V HN 0.759 nan 8.190 nan 0.000 0.436 20 I N 3.262 123.860 120.570 0.047 0.000 2.828 20 I HA 0.817 4.987 4.170 0.000 0.000 0.302 20 I C -2.862 173.288 176.117 0.055 0.000 1.101 20 I CA -2.611 58.722 61.300 0.055 0.000 1.031 20 I CB 2.905 40.931 38.000 0.044 0.000 1.231 20 I HN 0.354 nan 8.210 nan 0.000 0.427 21 P HA 0.420 nan 4.420 nan 0.000 0.287 21 P C -1.061 176.264 177.300 0.043 0.000 1.270 21 P CA -0.538 62.599 63.100 0.062 0.000 0.844 21 P CB 2.244 33.992 31.700 0.080 0.000 1.068 22 V N 1.574 121.510 119.914 0.037 0.000 2.623 22 V HA 0.572 4.692 4.120 0.000 0.000 0.304 22 V C 0.814 176.922 176.094 0.024 0.000 1.054 22 V CA -0.543 61.772 62.300 0.026 0.000 0.882 22 V CB 1.778 33.614 31.823 0.022 0.000 1.002 22 V HN 0.812 nan 8.190 nan 0.000 0.424 23 G N 2.543 111.353 108.800 0.018 0.000 2.588 23 G HA2 0.478 4.438 3.960 0.000 0.000 0.281 23 G HA3 0.478 4.438 3.960 0.000 0.000 0.281 23 G C -0.175 174.731 174.900 0.011 0.000 1.236 23 G CA -0.461 44.648 45.100 0.014 0.000 0.969 23 G HN 0.720 nan 8.290 nan 0.000 0.504 24 E N 0.241 120.446 120.200 0.008 0.000 2.438 24 E HA -0.036 4.315 4.350 0.000 0.000 0.261 24 E C 0.094 176.696 176.600 0.005 0.000 1.103 24 E CA 0.119 56.523 56.400 0.006 0.000 0.959 24 E CB 0.260 29.962 29.700 0.004 0.000 0.958 24 E HN 0.483 nan 8.360 nan 0.000 0.447 25 N N 1.676 120.378 118.700 0.004 0.000 2.714 25 N HA -0.265 4.475 4.740 0.000 0.000 0.250 25 N C -0.694 174.818 175.510 0.005 0.000 1.117 25 N CA 1.371 54.423 53.050 0.003 0.000 0.719 25 N CB -1.003 37.485 38.487 0.002 0.000 1.081 25 N HN 0.616 nan 8.380 nan 0.000 0.557 26 R N -2.048 118.456 120.500 0.006 0.000 3.758 26 R HA -0.235 4.106 4.340 0.000 0.000 0.299 26 R C 0.160 176.465 176.300 0.008 0.000 1.182 26 R CA 1.459 57.563 56.100 0.008 0.000 0.809 26 R CB -1.557 28.747 30.300 0.007 0.000 1.249 26 R HN 0.488 nan 8.270 nan 0.000 0.497 27 K N 1.733 122.137 120.400 0.007 0.000 2.383 27 K HA 0.215 4.535 4.320 0.000 0.000 0.286 27 K C -0.302 176.304 176.600 0.009 0.000 1.051 27 K CA -0.048 56.243 56.287 0.007 0.000 0.974 27 K CB 0.481 32.983 32.500 0.004 0.000 0.968 27 K HN 0.126 nan 8.250 nan 0.000 0.475 28 L N 4.165 125.393 121.223 0.009 0.000 2.296 28 L HA 0.386 4.726 4.340 0.000 0.000 0.286 28 L C 0.944 177.820 176.870 0.011 0.000 1.023 28 L CA -0.983 53.864 54.840 0.012 0.000 0.812 28 L CB 1.645 43.712 42.059 0.013 0.000 1.223 28 L HN 0.803 nan 8.230 nan 0.000 0.421 29 G N 1.163 109.970 108.800 0.013 0.000 2.653 29 G HA2 0.333 4.294 3.960 0.000 0.000 0.265 29 G HA3 0.333 4.294 3.960 0.000 0.000 0.265 29 G C 0.988 175.896 174.900 0.014 0.000 1.237 29 G CA 0.203 45.310 45.100 0.011 0.000 0.946 29 G HN 0.808 nan 8.290 nan 0.000 0.522 30 A N -0.954 121.874 122.820 0.014 0.000 1.908 30 A HA -0.046 4.274 4.320 0.000 0.000 0.218 30 A C 2.556 180.152 177.584 0.021 0.000 1.181 30 A CA 2.119 54.165 52.037 0.016 0.000 0.627 30 A CB -0.686 18.323 19.000 0.016 0.000 0.818 30 A HN 0.524 nan 8.150 nan 0.000 0.445 31 V N -0.287 119.643 119.914 0.027 0.000 2.295 31 V HA -0.237 3.884 4.120 0.000 0.000 0.246 31 V C 3.058 179.170 176.094 0.029 0.000 1.049 31 V CA 1.999 64.319 62.300 0.032 0.000 1.024 31 V CB -1.246 30.604 31.823 0.045 0.000 0.648 31 V HN 0.619 nan 8.190 nan 0.000 0.447 32 A N -0.619 122.219 122.820 0.029 0.000 1.972 32 A HA -0.218 4.102 4.320 0.000 0.000 0.219 32 A C 2.293 179.889 177.584 0.020 0.000 1.169 32 A CA 1.812 53.865 52.037 0.026 0.000 0.635 32 A CB -0.415 18.601 19.000 0.027 0.000 0.810 32 A HN 0.537 nan 8.150 nan 0.000 0.446 33 K N -0.413 119.997 120.400 0.018 0.000 2.057 33 K HA -0.045 4.275 4.320 0.000 0.000 0.206 33 K C 2.273 178.881 176.600 0.014 0.000 1.050 33 K CA 1.053 57.349 56.287 0.014 0.000 0.935 33 K CB -0.279 32.228 32.500 0.012 0.000 0.715 33 K HN 0.443 nan 8.250 nan 0.000 0.439 34 A N 0.879 123.708 122.820 0.016 0.000 1.969 34 A HA -0.097 4.224 4.320 0.000 0.000 0.218 34 A C 2.274 179.866 177.584 0.014 0.000 1.169 34 A CA 1.196 53.242 52.037 0.014 0.000 0.635 34 A CB -0.414 18.596 19.000 0.016 0.000 0.810 34 A HN 0.068 nan 8.150 nan 0.000 0.445 35 V N 0.311 120.235 119.914 0.017 0.000 2.453 35 V HA -0.198 3.922 4.120 0.000 0.000 0.247 35 V C 2.316 178.418 176.094 0.014 0.000 1.048 35 V CA 2.243 64.553 62.300 0.016 0.000 1.049 35 V CB -0.664 31.171 31.823 0.020 0.000 0.672 35 V HN 0.662 nan 8.190 nan 0.000 0.457 36 D N 0.082 120.490 120.400 0.014 0.000 2.117 36 D HA -0.182 4.458 4.640 0.000 0.000 0.197 36 D C 1.964 178.270 176.300 0.010 0.000 0.987 36 D CA 1.244 55.251 54.000 0.012 0.000 0.829 36 D CB -0.128 40.679 40.800 0.011 0.000 0.961 36 D HN 0.283 nan 8.370 nan 0.000 0.460 37 L N 0.430 121.659 121.223 0.010 0.000 2.046 37 L HA 0.014 4.354 4.340 0.000 0.000 0.208 37 L C 2.194 179.069 176.870 0.008 0.000 1.077 37 L CA 2.068 56.913 54.840 0.008 0.000 0.747 37 L CB -0.932 41.131 42.059 0.008 0.000 0.896 37 L HN 0.075 nan 8.230 nan 0.000 0.432 38 A N -1.121 121.704 122.820 0.009 0.000 1.972 38 A HA -0.192 4.129 4.320 0.000 0.000 0.219 38 A C 2.309 179.898 177.584 0.007 0.000 1.169 38 A CA 1.698 53.740 52.037 0.008 0.000 0.635 38 A CB -0.972 18.033 19.000 0.009 0.000 0.810 38 A HN 0.641 nan 8.150 nan 0.000 0.446 39 S N -0.910 114.794 115.700 0.008 0.000 2.631 39 S HA 0.144 4.614 4.470 0.000 0.000 0.217 39 S C 0.278 174.882 174.600 0.007 0.000 0.958 39 S CA 0.613 58.818 58.200 0.007 0.000 0.920 39 S CB -0.540 62.666 63.200 0.008 0.000 0.776 39 S HN 0.572 nan 8.310 nan 0.000 0.517 40 E N 0.146 120.350 120.200 0.006 0.000 2.440 40 E HA -0.202 4.149 4.350 0.000 0.000 0.246 40 E C 0.741 177.345 176.600 0.006 0.000 1.165 40 E CA 0.331 56.734 56.400 0.005 0.000 0.726 40 E CB -1.996 27.707 29.700 0.005 0.000 1.271 40 E HN 1.051 nan 8.360 nan 0.000 0.397 41 G N -1.635 107.169 108.800 0.006 0.000 2.143 41 G HA2 -0.330 3.630 3.960 0.000 0.000 0.249 41 G HA3 -0.330 3.630 3.960 0.000 0.000 0.249 41 G C 0.907 175.811 174.900 0.006 0.000 0.981 41 G CA 0.605 45.709 45.100 0.006 0.000 0.665 41 G HN 0.794 nan 8.290 nan 0.000 0.528 42 A N -0.224 122.600 122.820 0.007 0.000 1.930 42 A HA 0.296 4.616 4.320 0.000 0.000 0.217 42 A C 2.338 179.927 177.584 0.007 0.000 1.175 42 A CA 1.783 53.824 52.037 0.006 0.000 0.627 42 A CB -0.252 18.752 19.000 0.006 0.000 0.815 42 A HN 0.746 nan 8.150 nan 0.000 0.443 43 I N 0.618 121.193 120.570 0.008 0.000 2.202 43 I HA -0.238 3.932 4.170 0.000 0.000 0.242 43 I C 2.878 179.000 176.117 0.009 0.000 1.091 43 I CA 1.598 62.904 61.300 0.010 0.000 1.368 43 I CB -0.258 37.748 38.000 0.012 0.000 1.058 43 I HN 0.474 nan 8.210 nan 0.000 0.410 44 S N 1.272 116.977 115.700 0.008 0.000 2.402 44 S HA -0.105 4.365 4.470 0.000 0.000 0.229 44 S C 2.217 176.821 174.600 0.006 0.000 1.021 44 S CA 0.776 58.981 58.200 0.008 0.000 0.974 44 S CB -0.609 62.595 63.200 0.007 0.000 0.800 44 S HN 0.402 nan 8.310 nan 0.000 0.484 45 A N 1.686 124.510 122.820 0.006 0.000 1.902 45 A HA 0.037 4.357 4.320 0.000 0.000 0.217 45 A C 2.420 180.007 177.584 0.005 0.000 1.181 45 A CA 1.741 53.781 52.037 0.005 0.000 0.623 45 A CB -1.143 17.860 19.000 0.005 0.000 0.818 45 A HN 0.442 nan 8.150 nan 0.000 0.443 46 V N 0.021 119.938 119.914 0.006 0.000 2.358 46 V HA -0.226 3.894 4.120 0.000 0.000 0.246 46 V C 2.534 178.631 176.094 0.006 0.000 1.047 46 V CA 1.825 64.128 62.300 0.006 0.000 1.035 46 V CB -0.728 31.099 31.823 0.006 0.000 0.658 46 V HN 0.561 nan 8.190 nan 0.000 0.452 47 L N -0.343 120.884 121.223 0.007 0.000 2.131 47 L HA -0.205 4.135 4.340 0.000 0.000 0.210 47 L C 2.522 179.396 176.870 0.006 0.000 1.092 47 L CA 1.592 56.436 54.840 0.007 0.000 0.759 47 L CB -0.562 41.502 42.059 0.008 0.000 0.903 47 L HN 0.275 nan 8.230 nan 0.000 0.435 48 K N 0.271 120.674 120.400 0.005 0.000 2.209 48 K HA -0.163 4.157 4.320 0.000 0.000 0.204 48 K C 2.116 178.718 176.600 0.004 0.000 1.048 48 K CA 1.060 57.349 56.287 0.004 0.000 0.940 48 K CB 0.082 32.585 32.500 0.004 0.000 0.729 48 K HN 0.220 nan 8.250 nan 0.000 0.451 49 R N -1.216 119.287 120.500 0.004 0.000 2.235 49 R HA -0.014 4.327 4.340 0.000 0.000 0.213 49 R C 1.231 177.533 176.300 0.003 0.000 1.059 49 R CA 0.816 56.919 56.100 0.003 0.000 0.997 49 R CB 0.141 30.443 30.300 0.004 0.000 0.884 49 R HN 0.411 nan 8.270 nan 0.000 0.462 50 G N 0.443 109.245 108.800 0.004 0.000 2.157 50 G HA2 -0.236 3.725 3.960 0.000 0.000 0.239 50 G HA3 -0.236 3.725 3.960 0.000 0.000 0.239 50 G C 0.263 175.165 174.900 0.004 0.000 0.982 50 G CA 0.312 45.415 45.100 0.004 0.000 0.650 50 G HN 0.276 nan 8.290 nan 0.000 0.527 51 D N -0.638 119.765 120.400 0.004 0.000 2.219 51 D HA 0.065 4.705 4.640 0.000 0.000 0.205 51 D C 1.197 177.500 176.300 0.005 0.000 0.970 51 D CA 0.790 54.792 54.000 0.004 0.000 0.851 51 D CB 0.234 41.036 40.800 0.004 0.000 0.943 51 D HN 0.488 nan 8.370 nan 0.000 0.488 52 L N 0.240 121.466 121.223 0.006 0.000 2.295 52 L HA 0.496 4.836 4.340 0.000 0.000 0.281 52 L C 0.773 177.647 176.870 0.007 0.000 1.018 52 L CA -0.552 54.292 54.840 0.007 0.000 0.841 52 L CB 1.250 43.314 42.059 0.009 0.000 1.218 52 L HN -0.159 nan 8.230 nan 0.000 0.424 53 A N 3.638 126.462 122.820 0.006 0.000 2.119 53 A HA 0.389 4.710 4.320 0.000 0.000 0.216 53 A C 1.584 179.172 177.584 0.007 0.000 1.152 53 A CA 0.738 52.778 52.037 0.006 0.000 0.708 53 A CB -0.670 18.332 19.000 0.004 0.000 0.805 53 A HN 1.656 nan 8.150 nan 0.000 0.460 54 G N -0.744 108.061 108.800 0.009 0.000 2.141 54 G HA2 -0.248 3.712 3.960 0.000 0.000 0.242 54 G HA3 -0.248 3.712 3.960 0.000 0.000 0.242 54 G C 0.161 175.069 174.900 0.014 0.000 0.982 54 G CA 0.358 45.465 45.100 0.013 0.000 0.662 54 G HN 0.594 nan 8.290 nan 0.000 0.527 55 K N 0.908 121.315 120.400 0.011 0.000 2.319 55 K HA 0.338 4.658 4.320 0.000 0.000 0.265 55 K C -2.320 174.289 176.600 0.016 0.000 1.000 55 K CA -1.466 54.828 56.287 0.011 0.000 0.943 55 K CB 0.502 33.006 32.500 0.006 0.000 0.950 55 K HN -0.008 nan 8.250 nan 0.000 0.485 56 P HA -0.084 nan 4.420 nan 0.000 0.264 56 P C 0.683 177.994 177.300 0.019 0.000 1.193 56 P CA 1.030 64.148 63.100 0.030 0.000 0.763 56 P CB 0.515 32.236 31.700 0.035 0.000 0.810 57 G N 2.391 111.202 108.800 0.019 0.000 2.234 57 G HA2 -0.274 3.686 3.960 0.000 0.000 0.260 57 G HA3 -0.274 3.686 3.960 0.000 0.000 0.260 57 G C 0.273 175.175 174.900 0.002 0.000 0.987 57 G CA -0.211 44.891 45.100 0.003 0.000 0.625 57 G HN 0.564 nan 8.290 nan 0.000 0.532 58 Q N 1.162 120.966 119.800 0.007 0.000 2.432 58 Q HA 0.469 4.810 4.340 0.000 0.000 0.264 58 Q C 0.609 176.613 176.000 0.007 0.000 1.035 58 Q CA 1.166 56.972 55.803 0.006 0.000 0.908 58 Q CB 0.579 29.322 28.738 0.007 0.000 1.280 58 Q HN 0.625 nan 8.270 nan 0.000 0.455 59 T N -0.847 113.710 114.554 0.005 0.000 2.903 59 T HA 0.731 5.081 4.350 0.000 0.000 0.299 59 T C -0.965 173.739 174.700 0.007 0.000 1.093 59 T CA -0.938 61.166 62.100 0.006 0.000 1.002 59 T CB 1.172 70.042 68.868 0.003 0.000 1.127 59 T HN 0.505 nan 8.240 nan 0.000 0.488 60 L N 2.060 123.288 121.223 0.008 0.000 2.476 60 L HA 0.698 5.038 4.340 0.000 0.000 0.269 60 L C -1.852 175.023 176.870 0.008 0.000 0.965 60 L CA -1.196 53.648 54.840 0.007 0.000 0.845 60 L CB 1.828 43.892 42.059 0.008 0.000 1.259 60 L HN 0.755 nan 8.230 nan 0.000 0.403 61 L N 5.640 126.866 121.223 0.006 0.000 2.287 61 L HA 0.602 4.942 4.340 0.000 0.000 0.287 61 L C -1.227 175.647 176.870 0.006 0.000 1.022 61 L CA -0.008 54.836 54.840 0.006 0.000 0.814 61 L CB 1.385 43.447 42.059 0.005 0.000 1.217 61 L HN 0.525 nan 8.230 nan 0.000 0.420 62 L N 4.519 125.746 121.223 0.007 0.000 2.331 62 L HA 0.544 4.884 4.340 0.000 0.000 0.275 62 L C 0.041 176.914 176.870 0.006 0.000 1.022 62 L CA -0.869 53.975 54.840 0.007 0.000 0.812 62 L CB 1.623 43.687 42.059 0.008 0.000 1.257 62 L HN 0.581 nan 8.230 nan 0.000 0.435 63 Q N 0.664 120.467 119.800 0.005 0.000 2.162 63 Q HA 0.202 4.542 4.340 0.000 0.000 0.197 63 Q C -0.371 175.632 176.000 0.005 0.000 1.013 63 Q CA -0.957 54.849 55.803 0.005 0.000 1.040 63 Q CB 0.331 29.071 28.738 0.004 0.000 1.114 63 Q HN 0.392 nan 8.270 nan 0.000 0.547 64 N N 0.743 119.445 118.700 0.004 0.000 2.301 64 N HA -0.037 4.703 4.740 0.000 0.000 0.267 64 N C -1.174 174.339 175.510 0.005 0.000 1.304 64 N CA 0.540 53.593 53.050 0.004 0.000 0.851 64 N CB -0.032 38.457 38.487 0.004 0.000 1.070 64 N HN 0.302 nan 8.380 nan 0.000 0.483 65 L N 2.461 123.687 121.223 0.005 0.000 2.307 65 L HA 0.334 4.675 4.340 0.000 0.000 0.284 65 L C 0.741 177.614 176.870 0.005 0.000 1.023 65 L CA -0.851 53.992 54.840 0.006 0.000 0.810 65 L CB 1.579 43.642 42.059 0.007 0.000 1.231 65 L HN 0.479 nan 8.230 nan 0.000 0.423 66 Q N 1.624 121.427 119.800 0.005 0.000 2.330 66 Q HA 0.244 4.585 4.340 0.000 0.000 0.279 66 Q C 1.015 177.018 176.000 0.005 0.000 1.024 66 Q CA 1.262 57.068 55.803 0.004 0.000 0.900 66 Q CB 0.599 29.340 28.738 0.004 0.000 1.221 66 Q HN 0.896 nan 8.270 nan 0.000 0.396 67 G N 2.936 111.739 108.800 0.005 0.000 2.232 67 G HA2 -0.215 3.745 3.960 0.000 0.000 0.226 67 G HA3 -0.215 3.745 3.960 0.000 0.000 0.226 67 G C -0.180 174.723 174.900 0.006 0.000 0.996 67 G CA 0.051 45.154 45.100 0.005 0.000 0.626 67 G HN 0.513 nan 8.290 nan 0.000 0.509 68 L N -0.243 120.984 121.223 0.006 0.000 2.322 68 L HA 0.591 4.931 4.340 0.000 0.000 0.269 68 L C 1.188 178.062 176.870 0.006 0.000 1.012 68 L CA -0.978 53.866 54.840 0.007 0.000 0.815 68 L CB 1.594 43.658 42.059 0.008 0.000 1.295 68 L HN -0.053 nan 8.230 nan 0.000 0.438 69 K N 0.708 121.111 120.400 0.007 0.000 2.358 69 K HA 0.276 4.596 4.320 0.000 0.000 0.197 69 K C 0.237 176.841 176.600 0.006 0.000 1.025 69 K CA -0.146 56.145 56.287 0.005 0.000 1.104 69 K CB 0.922 33.425 32.500 0.005 0.000 0.855 69 K HN 0.653 nan 8.250 nan 0.000 0.531 70 A N 1.457 124.282 122.820 0.007 0.000 2.354 70 A HA 0.113 4.433 4.320 0.000 0.000 0.269 70 A C 0.639 178.227 177.584 0.007 0.000 1.109 70 A CA -0.314 51.728 52.037 0.008 0.000 0.800 70 A CB 0.487 19.493 19.000 0.010 0.000 1.045 70 A HN 0.205 nan 8.150 nan 0.000 0.489 71 E N 0.811 121.015 120.200 0.006 0.000 2.152 71 E HA -0.056 4.294 4.350 0.000 0.000 0.192 71 E C 0.173 176.776 176.600 0.005 0.000 0.983 71 E CA 0.855 57.258 56.400 0.005 0.000 0.818 71 E CB 0.142 29.845 29.700 0.004 0.000 0.758 71 E HN 0.645 nan 8.360 nan 0.000 0.467 72 R N -0.206 120.298 120.500 0.007 0.000 2.771 72 R HA 0.499 4.840 4.340 0.000 0.000 0.274 72 R C -1.450 174.856 176.300 0.009 0.000 0.987 72 R CA -0.658 55.447 56.100 0.007 0.000 0.908 72 R CB 2.624 32.928 30.300 0.006 0.000 1.213 72 R HN -0.183 nan 8.270 nan 0.000 0.468 73 V N 2.821 122.741 119.914 0.010 0.000 2.444 73 V HA 0.333 4.453 4.120 0.000 0.000 0.294 73 V C -1.061 175.041 176.094 0.013 0.000 1.022 73 V CA -0.809 61.499 62.300 0.013 0.000 0.850 73 V CB 1.727 33.558 31.823 0.014 0.000 0.992 73 V HN 0.473 nan 8.190 nan 0.000 0.426 74 L N 6.847 128.079 121.223 0.015 0.000 2.265 74 L HA 0.568 4.908 4.340 0.000 0.000 0.289 74 L C -0.510 176.372 176.870 0.019 0.000 1.033 74 L CA 0.168 55.017 54.840 0.014 0.000 0.814 74 L CB 0.879 42.945 42.059 0.012 0.000 1.203 74 L HN 0.529 nan 8.230 nan 0.000 0.423 75 L N 6.116 127.350 121.223 0.017 0.000 2.276 75 L HA 0.520 4.860 4.340 0.000 0.000 0.286 75 L C -0.274 176.608 176.870 0.021 0.000 1.061 75 L CA -0.597 54.255 54.840 0.021 0.000 0.807 75 L CB 1.474 43.544 42.059 0.018 0.000 1.177 75 L HN 0.432 nan 8.230 nan 0.000 0.429 76 V N 2.961 122.892 119.914 0.028 0.000 2.540 76 V HA 0.666 4.786 4.120 0.000 0.000 0.302 76 V C 0.468 176.583 176.094 0.035 0.000 1.035 76 V CA -0.352 61.964 62.300 0.027 0.000 0.873 76 V CB 1.910 33.749 31.823 0.027 0.000 0.992 76 V HN 0.810 nan 8.190 nan 0.000 0.428 77 G N 3.727 112.544 108.800 0.029 0.000 2.380 77 G HA2 0.355 4.315 3.960 0.000 0.000 0.242 77 G HA3 0.355 4.315 3.960 0.000 0.000 0.242 77 G C 0.729 175.656 174.900 0.045 0.000 1.298 77 G CA 0.351 45.469 45.100 0.030 0.000 0.878 77 G HN 1.383 nan 8.290 nan 0.000 0.542 78 S N 1.004 116.731 115.700 0.046 0.000 2.603 78 S HA 0.523 4.994 4.470 0.000 0.000 0.232 78 S C 1.274 175.897 174.600 0.038 0.000 1.016 78 S CA 0.616 58.852 58.200 0.059 0.000 0.976 78 S CB -0.004 63.231 63.200 0.059 0.000 0.921 78 S HN 2.267 nan 8.310 nan 0.000 0.516 79 G N 2.022 110.838 108.800 0.026 0.000 2.584 79 G HA2 -0.185 3.776 3.960 0.000 0.000 0.229 79 G HA3 -0.185 3.776 3.960 0.000 0.000 0.229 79 G C -0.656 174.249 174.900 0.008 0.000 1.320 79 G CA -0.453 44.657 45.100 0.016 0.000 0.891 79 G HN 0.525 nan 8.290 nan 0.000 0.573 80 K N -0.081 120.320 120.400 0.002 0.000 2.118 80 K HA 0.268 4.589 4.320 0.000 0.000 0.240 80 K C 0.998 177.594 176.600 -0.007 0.000 1.035 80 K CA -0.184 56.101 56.287 -0.003 0.000 0.899 80 K CB 0.272 32.769 32.500 -0.005 0.000 1.085 80 K HN 0.438 nan 8.250 nan 0.000 0.498 81 D N 1.330 121.724 120.400 -0.010 0.000 2.265 81 D HA -0.136 4.504 4.640 0.000 0.000 0.208 81 D C 0.219 176.504 176.300 -0.025 0.000 0.977 81 D CA 0.997 54.987 54.000 -0.016 0.000 0.871 81 D CB 0.034 40.825 40.800 -0.015 0.000 0.925 81 D HN 0.459 nan 8.370 nan 0.000 0.485 82 E N 0.213 120.399 120.200 -0.023 0.000 2.481 82 E HA 0.150 4.501 4.350 0.000 0.000 0.263 82 E C -0.219 176.356 176.600 -0.041 0.000 0.992 82 E CA -0.423 55.960 56.400 -0.029 0.000 0.938 82 E CB 0.594 30.280 29.700 -0.022 0.000 0.933 82 E HN 0.069 nan 8.360 nan 0.000 0.453 83 A N 4.590 127.376 122.820 -0.056 0.000 2.520 83 A HA 0.091 4.411 4.320 0.000 0.000 0.235 83 A C -0.021 177.521 177.584 -0.069 0.000 1.065 83 A CA -0.005 51.982 52.037 -0.083 0.000 0.764 83 A CB 0.156 19.098 19.000 -0.097 0.000 1.002 83 A HN 0.637 nan 8.150 nan 0.000 0.502 84 L N 2.175 123.345 121.223 -0.087 0.000 2.371 84 L HA 0.413 4.753 4.340 0.000 0.000 0.272 84 L C 1.336 178.185 176.870 -0.034 0.000 1.124 84 L CA -0.350 54.469 54.840 -0.034 0.000 0.816 84 L CB 0.690 42.761 42.059 0.019 0.000 1.129 84 L HN 0.894 nan 8.230 nan 0.000 0.448 85 G N 0.707 109.507 108.800 0.000 0.000 2.634 85 G HA2 0.030 3.990 3.960 0.000 0.000 0.255 85 G HA3 0.030 3.990 3.960 0.000 0.000 0.255 85 G C 0.369 175.304 174.900 0.058 0.000 1.205 85 G CA -0.388 44.717 45.100 0.007 0.000 0.884 85 G HN 0.721 nan 8.290 nan 0.000 0.549 86 D N -0.285 120.148 120.400 0.055 0.000 2.123 86 D HA -0.110 4.531 4.640 0.000 0.000 0.196 86 D C 2.449 178.814 176.300 0.108 0.000 0.992 86 D CA 0.918 54.984 54.000 0.110 0.000 0.833 86 D CB 0.045 40.885 40.800 0.066 0.000 0.954 86 D HN 0.323 nan 8.370 nan 0.000 0.455 87 R N 0.180 120.707 120.500 0.046 0.000 2.075 87 R HA -0.015 4.325 4.340 0.000 0.000 0.232 87 R C 2.156 178.475 176.300 0.032 0.000 1.126 87 R CA 1.461 57.571 56.100 0.016 0.000 0.963 87 R CB -0.843 29.442 30.300 -0.025 0.000 0.858 87 R HN 0.078 nan 8.270 nan 0.000 0.435 88 T N -0.040 114.547 114.554 0.055 0.000 2.746 88 T HA -0.184 4.166 4.350 0.000 0.000 0.267 88 T C 1.370 176.150 174.700 0.133 0.000 1.039 88 T CA 1.337 63.478 62.100 0.069 0.000 1.142 88 T CB -0.445 68.460 68.868 0.062 0.000 0.866 88 T HN 0.489 nan 8.240 nan 0.000 0.444 89 W N 2.354 123.623 121.300 -0.051 0.000 2.335 89 W HA -0.184 4.477 4.660 0.001 0.000 0.311 89 W C 2.205 178.692 176.519 -0.054 0.000 1.213 89 W CA 0.959 58.267 57.345 -0.061 0.000 1.274 89 W CB -0.151 29.260 29.460 -0.081 0.000 1.148 89 W HN 0.183 nan 8.180 nan 0.000 0.498 90 R N 0.321 120.744 120.500 -0.128 0.000 2.092 90 R HA -0.121 4.220 4.340 0.000 0.000 0.231 90 R C 2.279 178.455 176.300 -0.206 0.000 1.119 90 R CA 1.524 57.456 56.100 -0.278 0.000 0.970 90 R CB -0.434 29.785 30.300 -0.136 0.000 0.864 90 R HN 0.173 nan 8.270 nan 0.000 0.440 91 K N 0.928 121.266 120.400 -0.104 0.000 2.097 91 K HA -0.144 4.176 4.320 0.000 0.000 0.206 91 K C 2.158 178.700 176.600 -0.097 0.000 1.049 91 K CA 1.067 57.307 56.287 -0.079 0.000 0.933 91 K CB -0.232 32.246 32.500 -0.036 0.000 0.717 91 K HN 0.158 nan 8.250 nan 0.000 0.442 92 L N 0.960 122.122 121.223 -0.102 0.000 1.989 92 L HA -0.216 4.124 4.340 0.000 0.000 0.211 92 L C 2.136 178.891 176.870 -0.191 0.000 1.071 92 L CA 1.287 56.068 54.840 -0.098 0.000 0.749 92 L CB -0.202 41.849 42.059 -0.013 0.000 0.890 92 L HN -0.055 nan 8.230 nan 0.000 0.431 93 V N 0.352 120.040 119.914 -0.376 0.000 2.343 93 V HA -0.300 3.820 4.120 0.000 0.000 0.247 93 V C 2.842 178.810 176.094 -0.209 0.000 1.051 93 V CA 1.723 63.794 62.300 -0.382 0.000 1.036 93 V CB -1.135 30.327 31.823 -0.603 0.000 0.654 93 V HN 0.626 nan 8.190 nan 0.000 0.451 94 A N -0.504 122.212 122.820 -0.173 0.000 1.933 94 A HA -0.207 4.113 4.320 0.000 0.000 0.218 94 A C 2.477 180.019 177.584 -0.071 0.000 1.175 94 A CA 2.223 54.199 52.037 -0.101 0.000 0.628 94 A CB -0.626 18.325 19.000 -0.080 0.000 0.814 94 A HN 0.513 nan 8.150 nan 0.000 0.444 95 S N -0.544 115.114 115.700 -0.071 0.000 2.368 95 S HA -0.110 4.360 4.470 0.000 0.000 0.224 95 S C 1.894 176.470 174.600 -0.039 0.000 1.029 95 S CA 1.315 59.488 58.200 -0.044 0.000 0.988 95 S CB -0.407 62.772 63.200 -0.035 0.000 0.838 95 S HN 0.353 nan 8.310 nan 0.000 0.462 96 V N 2.043 121.925 119.914 -0.054 0.000 2.295 96 V HA -0.218 3.903 4.120 0.000 0.000 0.246 96 V C 2.657 178.730 176.094 -0.034 0.000 1.049 96 V CA 1.804 64.080 62.300 -0.040 0.000 1.024 96 V CB -1.171 30.621 31.823 -0.051 0.000 0.648 96 V HN 0.545 nan 8.190 nan 0.000 0.447 97 A N 0.339 123.132 122.820 -0.046 0.000 1.933 97 A HA -0.082 4.238 4.320 0.000 0.000 0.218 97 A C 2.414 179.988 177.584 -0.018 0.000 1.175 97 A CA 1.877 53.896 52.037 -0.031 0.000 0.628 97 A CB -1.223 17.754 19.000 -0.037 0.000 0.814 97 A HN 0.539 nan 8.150 nan 0.000 0.444 98 G N -0.316 108.473 108.800 -0.019 0.000 2.476 98 G HA2 -0.190 3.770 3.960 0.000 0.000 0.218 98 G HA3 -0.190 3.770 3.960 0.000 0.000 0.218 98 G C 1.535 176.430 174.900 -0.007 0.000 1.164 98 G CA 1.416 46.510 45.100 -0.010 0.000 0.768 98 G HN 0.329 nan 8.290 nan 0.000 0.560 99 V N 1.132 121.041 119.914 -0.009 0.000 2.295 99 V HA -0.144 3.976 4.120 0.000 0.000 0.246 99 V C 2.947 179.039 176.094 -0.003 0.000 1.049 99 V CA 1.655 63.952 62.300 -0.005 0.000 1.024 99 V CB -0.524 31.297 31.823 -0.004 0.000 0.648 99 V HN 0.364 nan 8.190 nan 0.000 0.447 100 L N 0.175 121.395 121.223 -0.005 0.000 2.079 100 L HA -0.228 4.112 4.340 0.000 0.000 0.210 100 L C 2.574 179.443 176.870 -0.002 0.000 1.081 100 L CA 2.073 56.911 54.840 -0.002 0.000 0.752 100 L CB -0.778 41.279 42.059 -0.003 0.000 0.896 100 L HN 0.373 nan 8.230 nan 0.000 0.433 101 K N 0.767 121.166 120.400 -0.002 0.000 2.209 101 K HA -0.140 4.180 4.320 0.000 0.000 0.204 101 K C 1.852 178.452 176.600 -0.000 0.000 1.048 101 K CA 1.466 57.753 56.287 -0.000 0.000 0.940 101 K CB -0.194 32.307 32.500 0.002 0.000 0.729 101 K HN 0.329 nan 8.250 nan 0.000 0.451 102 G N 0.937 109.737 108.800 -0.000 0.000 2.777 102 G HA2 0.123 4.083 3.960 0.000 0.000 0.211 102 G HA3 0.123 4.083 3.960 0.000 0.000 0.211 102 G C 0.525 175.424 174.900 -0.001 0.000 1.149 102 G CA -0.235 44.865 45.100 -0.000 0.000 0.785 102 G HN 0.085 nan 8.290 nan 0.000 0.536 103 L N -0.149 121.074 121.223 -0.001 0.000 2.416 103 L HA 0.340 4.681 4.340 0.000 0.000 0.262 103 L C 0.530 177.399 176.870 -0.001 0.000 1.093 103 L CA -0.805 54.035 54.840 -0.000 0.000 0.801 103 L CB 1.205 43.264 42.059 0.001 0.000 1.191 103 L HN -0.066 nan 8.230 nan 0.000 0.459 104 N N 0.408 119.107 118.700 -0.001 0.000 2.575 104 N HA 0.156 4.897 4.740 0.000 0.000 0.275 104 N C -0.211 175.298 175.510 -0.001 0.000 1.202 104 N CA -0.169 52.880 53.050 -0.002 0.000 0.945 104 N CB 0.272 38.758 38.487 -0.002 0.000 1.247 104 N HN 0.691 nan 8.380 nan 0.000 0.510 105 G N -1.166 107.634 108.800 -0.000 0.000 2.348 105 G HA2 0.523 4.483 3.960 0.000 0.000 0.312 105 G HA3 0.523 4.483 3.960 0.000 0.000 0.312 105 G C 0.703 175.603 174.900 -0.000 0.000 1.126 105 G CA -0.415 44.685 45.100 0.000 0.000 0.865 105 G HN 0.296 nan 8.290 nan 0.000 0.474 106 A N 1.808 124.627 122.820 -0.000 0.000 2.067 106 A HA 0.268 4.588 4.320 0.000 0.000 0.217 106 A C 0.973 178.557 177.584 0.000 0.000 1.156 106 A CA 1.524 53.561 52.037 -0.001 0.000 0.683 106 A CB -0.168 18.831 19.000 -0.001 0.000 0.808 106 A HN 0.746 nan 8.150 nan 0.000 0.455 107 D N -3.214 117.187 120.400 0.002 0.000 2.596 107 D HA 0.674 5.314 4.640 0.000 0.000 0.262 107 D C -0.744 175.559 176.300 0.005 0.000 1.210 107 D CA 0.058 54.060 54.000 0.003 0.000 0.873 107 D CB 1.056 41.858 40.800 0.003 0.000 1.408 107 D HN 0.385 nan 8.370 nan 0.000 0.441 108 A N -0.328 122.496 122.820 0.007 0.000 2.587 108 A HA 0.683 5.003 4.320 0.000 0.000 0.293 108 A C -1.627 175.966 177.584 0.014 0.000 1.087 108 A CA -0.742 51.301 52.037 0.010 0.000 0.692 108 A CB 1.901 20.907 19.000 0.010 0.000 1.291 108 A HN 0.505 nan 8.150 nan 0.000 0.407 109 V N 1.839 121.764 119.914 0.019 0.000 2.444 109 V HA 0.409 4.529 4.120 0.000 0.000 0.294 109 V C -0.603 175.514 176.094 0.038 0.000 1.022 109 V CA -0.288 62.026 62.300 0.024 0.000 0.850 109 V CB 1.358 33.193 31.823 0.021 0.000 0.992 109 V HN 0.698 nan 8.190 nan 0.000 0.426 110 L N 4.471 125.727 121.223 0.054 0.000 2.257 110 L HA 0.692 5.032 4.340 0.000 0.000 0.290 110 L C 0.504 177.439 176.870 0.109 0.000 1.044 110 L CA -0.392 54.500 54.840 0.086 0.000 0.810 110 L CB 1.455 43.583 42.059 0.114 0.000 1.193 110 L HN 0.727 nan 8.230 nan 0.000 0.425 111 A N 5.603 128.486 122.820 0.105 0.000 3.150 111 A HA 0.516 4.837 4.320 0.000 0.000 0.328 111 A C 0.442 178.107 177.584 0.135 0.000 1.104 111 A CA -0.330 51.771 52.037 0.107 0.000 0.937 111 A CB -0.108 18.935 19.000 0.070 0.000 1.073 111 A HN 0.817 nan 8.150 nan 0.000 0.497 112 L N -0.162 121.185 121.223 0.206 0.000 2.872 112 L HA 0.131 4.471 4.340 0.000 0.000 0.245 112 L C 1.406 178.397 176.870 0.203 0.000 1.211 112 L CA 0.024 55.001 54.840 0.228 0.000 1.013 112 L CB 0.145 42.415 42.059 0.351 0.000 1.326 112 L HN 0.608 nan 8.230 nan 0.000 0.525 113 D N 1.004 121.521 120.400 0.195 0.000 2.190 113 D HA -0.245 4.395 4.640 0.000 0.000 0.200 113 D C 1.501 177.834 176.300 0.054 0.000 0.992 113 D CA 1.478 55.577 54.000 0.166 0.000 0.854 113 D CB 0.342 41.234 40.800 0.152 0.000 0.936 113 D HN 0.218 nan 8.370 nan 0.000 0.462 114 D N -0.540 119.882 120.400 0.036 0.000 2.347 114 D HA -0.026 4.614 4.640 0.000 0.000 0.215 114 D C 0.065 176.331 176.300 -0.057 0.000 0.976 114 D CA 0.144 54.140 54.000 -0.006 0.000 0.884 114 D CB 0.196 41.002 40.800 0.010 0.000 0.915 114 D HN 0.100 nan 8.370 nan 0.000 0.526 115 V N 1.735 121.598 119.914 -0.085 0.000 2.446 115 V HA 0.261 4.382 4.120 0.000 0.000 0.276 115 V C 0.658 176.555 176.094 -0.328 0.000 1.030 115 V CA -0.731 61.465 62.300 -0.173 0.000 1.033 115 V CB 0.553 32.285 31.823 -0.151 0.000 0.993 115 V HN 0.056 nan 8.190 nan 0.000 0.477 116 A N 5.753 128.421 122.820 -0.255 0.000 2.363 116 A HA 0.667 4.987 4.320 0.000 0.000 0.270 116 A C -0.334 177.036 177.584 -0.357 0.000 1.121 116 A CA -0.355 51.512 52.037 -0.282 0.000 0.800 116 A CB 0.710 19.606 19.000 -0.174 0.000 1.052 116 A HN 0.674 nan 8.150 nan 0.000 0.493 117 V N 3.495 123.154 119.914 -0.426 0.000 2.409 117 V HA 0.178 4.298 4.120 0.000 0.000 0.291 117 V C 0.266 176.221 176.094 -0.232 0.000 1.020 117 V CA -0.983 61.070 62.300 -0.411 0.000 0.848 117 V CB 1.376 32.786 31.823 -0.688 0.000 0.990 117 V HN 0.964 nan 8.190 nan 0.000 0.430 118 N N 4.336 122.944 118.700 -0.152 0.000 2.359 118 N HA -0.040 4.701 4.740 0.000 0.000 0.261 118 N C 0.897 176.361 175.510 -0.077 0.000 1.267 118 N CA 1.007 54.000 53.050 -0.094 0.000 0.864 118 N CB -0.236 38.214 38.487 -0.062 0.000 1.063 118 N HN 0.759 nan 8.380 nan 0.000 0.474 119 N N 1.064 119.726 118.700 -0.064 0.000 2.713 119 N HA -0.247 4.494 4.740 0.000 0.000 0.251 119 N C -1.307 174.177 175.510 -0.043 0.000 1.117 119 N CA 1.008 54.033 53.050 -0.042 0.000 0.770 119 N CB -0.586 37.889 38.487 -0.021 0.000 1.137 119 N HN 0.653 nan 8.380 nan 0.000 0.566 120 R N 0.483 120.935 120.500 -0.080 0.000 2.621 120 R HA 0.251 4.591 4.340 0.000 0.000 0.292 120 R C -0.651 175.592 176.300 -0.095 0.000 0.969 120 R CA -0.712 55.344 56.100 -0.074 0.000 0.887 120 R CB 1.102 31.338 30.300 -0.107 0.000 1.180 120 R HN 0.244 nan 8.270 nan 0.000 0.450 121 D N 1.633 122.015 120.400 -0.030 0.000 2.399 121 D HA 0.008 4.649 4.640 0.000 0.000 0.241 121 D C 0.893 177.118 176.300 -0.125 0.000 1.133 121 D CA -0.297 53.673 54.000 -0.051 0.000 0.890 121 D CB 0.867 41.686 40.800 0.030 0.000 1.201 121 D HN 0.524 nan 8.370 nan 0.000 0.432 122 A N 1.696 124.358 122.820 -0.263 0.000 2.131 122 A HA -0.214 4.107 4.320 0.000 0.000 0.220 122 A C 1.323 178.714 177.584 -0.321 0.000 1.158 122 A CA 1.286 53.069 52.037 -0.424 0.000 0.665 122 A CB -0.573 18.054 19.000 -0.623 0.000 0.795 122 A HN 0.722 nan 8.150 nan 0.000 0.460 123 H N -4.533 114.656 119.070 0.198 0.000 2.381 123 H HA 0.122 4.678 4.556 0.000 0.000 0.252 123 H C 1.703 177.242 175.328 0.352 0.000 0.920 123 H CA 1.101 57.332 56.048 0.304 0.000 1.100 123 H CB -0.487 29.379 29.762 0.174 0.000 1.435 123 H HN 0.523 nan 8.280 nan 0.000 0.454 124 Y N 1.592 122.038 120.300 0.244 0.000 2.190 124 Y HA 0.162 4.713 4.550 0.001 0.000 0.290 124 Y C 2.621 178.618 175.900 0.161 0.000 1.115 124 Y CA 1.636 59.847 58.100 0.184 0.000 1.107 124 Y CB -0.551 37.983 38.460 0.124 0.000 1.033 124 Y HN 0.130 nan 8.280 nan 0.000 0.502 125 G N 0.475 109.346 108.800 0.118 0.000 2.418 125 G HA2 -0.308 3.653 3.960 0.000 0.000 0.217 125 G HA3 -0.308 3.653 3.960 0.000 0.000 0.217 125 G C 1.699 176.569 174.900 -0.050 0.000 1.158 125 G CA 1.056 46.151 45.100 -0.008 0.000 0.771 125 G HN 0.415 nan 8.290 nan 0.000 0.545 126 K N -0.668 119.681 120.400 -0.084 0.000 2.032 126 K HA -0.127 4.193 4.320 0.000 0.000 0.209 126 K C 2.103 178.666 176.600 -0.061 0.000 1.048 126 K CA 1.283 57.440 56.287 -0.218 0.000 0.927 126 K CB -0.328 31.874 32.500 -0.497 0.000 0.712 126 K HN 0.394 nan 8.250 nan 0.000 0.441 127 Y N 0.461 120.824 120.300 0.105 0.000 2.475 127 Y HA 0.095 4.645 4.550 0.001 0.000 0.289 127 Y C 2.301 178.203 175.900 0.003 0.000 1.121 127 Y CA 0.249 58.417 58.100 0.115 0.000 1.257 127 Y CB 0.152 38.667 38.460 0.091 0.000 1.026 127 Y HN -0.009 nan 8.280 nan 0.000 0.555 128 R N -0.170 120.313 120.500 -0.028 0.000 2.091 128 R HA -0.167 4.173 4.340 0.000 0.000 0.238 128 R C 1.860 178.160 176.300 0.000 0.000 1.136 128 R CA 1.221 57.257 56.100 -0.107 0.000 0.959 128 R CB -0.800 29.342 30.300 -0.262 0.000 0.856 128 R HN 0.330 nan 8.270 nan 0.000 0.437 129 L N 0.373 121.629 121.223 0.054 0.000 2.095 129 L HA -0.051 4.290 4.340 0.000 0.000 0.204 129 L C 2.462 179.316 176.870 -0.027 0.000 1.080 129 L CA 1.017 55.890 54.840 0.055 0.000 0.759 129 L CB -0.791 41.369 42.059 0.169 0.000 0.914 129 L HN 0.118 nan 8.230 nan 0.000 0.439 130 L N -0.705 120.522 121.223 0.006 0.000 1.989 130 L HA -0.224 4.116 4.340 0.000 0.000 0.211 130 L C 2.520 179.364 176.870 -0.042 0.000 1.071 130 L CA 1.745 56.494 54.840 -0.152 0.000 0.749 130 L CB -0.345 41.700 42.059 -0.024 0.000 0.890 130 L HN 0.233 nan 8.230 nan 0.000 0.431 131 A N -0.663 122.193 122.820 0.060 0.000 1.898 131 A HA -0.272 4.048 4.320 0.000 0.000 0.216 131 A C 2.239 179.832 177.584 0.016 0.000 1.181 131 A CA 1.781 53.849 52.037 0.052 0.000 0.620 131 A CB -0.701 18.343 19.000 0.074 0.000 0.819 131 A HN 0.646 nan 8.150 nan 0.000 0.442 132 E N -0.765 119.440 120.200 0.008 0.000 2.077 132 E HA -0.156 4.194 4.350 0.000 0.000 0.193 132 E C 1.932 178.522 176.600 -0.017 0.000 0.989 132 E CA 1.609 58.011 56.400 0.003 0.000 0.800 132 E CB -0.144 29.558 29.700 0.003 0.000 0.746 132 E HN 0.533 nan 8.360 nan 0.000 0.452 133 T N 1.425 115.947 114.554 -0.052 0.000 2.746 133 T HA -0.160 4.190 4.350 0.000 0.000 0.267 133 T C 1.731 176.399 174.700 -0.054 0.000 1.039 133 T CA 1.087 63.144 62.100 -0.073 0.000 1.142 133 T CB -0.244 68.538 68.868 -0.142 0.000 0.866 133 T HN 0.107 nan 8.240 nan 0.000 0.444 134 L N 0.838 122.029 121.223 -0.054 0.000 2.017 134 L HA 0.045 4.385 4.340 0.000 0.000 0.208 134 L C 2.127 178.999 176.870 0.003 0.000 1.073 134 L CA 1.666 56.487 54.840 -0.030 0.000 0.745 134 L CB -0.683 41.362 42.059 -0.023 0.000 0.894 134 L HN 0.252 nan 8.230 nan 0.000 0.432 135 L N -0.970 120.262 121.223 0.015 0.000 2.072 135 L HA -0.147 4.194 4.340 0.000 0.000 0.205 135 L C 2.232 179.137 176.870 0.058 0.000 1.079 135 L CA 1.431 56.293 54.840 0.037 0.000 0.752 135 L CB -0.679 41.405 42.059 0.041 0.000 0.906 135 L HN 0.286 nan 8.230 nan 0.000 0.436 136 D N 0.202 120.629 120.400 0.045 0.000 2.219 136 D HA -0.131 4.509 4.640 0.000 0.000 0.205 136 D C 2.116 178.467 176.300 0.086 0.000 0.970 136 D CA 1.134 55.169 54.000 0.058 0.000 0.851 136 D CB 0.038 40.845 40.800 0.011 0.000 0.943 136 D HN 0.211 nan 8.370 nan 0.000 0.488 137 G N -0.265 108.568 108.800 0.054 0.000 2.534 137 G HA2 -0.172 3.789 3.960 0.000 0.000 0.217 137 G HA3 -0.172 3.789 3.960 0.000 0.000 0.217 137 G C 1.396 176.345 174.900 0.083 0.000 1.128 137 G CA 0.141 45.275 45.100 0.057 0.000 0.784 137 G HN 0.185 nan 8.290 nan 0.000 0.542 138 E N -0.342 119.911 120.200 0.089 0.000 2.418 138 E HA -0.028 4.322 4.350 0.000 0.000 0.197 138 E C 0.235 176.899 176.600 0.106 0.000 1.026 138 E CA -0.397 56.050 56.400 0.078 0.000 0.862 138 E CB -0.200 29.536 29.700 0.060 0.000 0.799 138 E HN 0.534 nan 8.360 nan 0.000 0.518 139 Y N 1.218 121.543 120.300 0.042 0.000 2.810 139 Y HA -0.020 4.530 4.550 0.000 0.000 0.332 139 Y C -0.227 175.721 175.900 0.081 0.000 1.243 139 Y CA 0.213 58.353 58.100 0.066 0.000 1.537 139 Y CB 0.400 38.901 38.460 0.068 0.000 1.265 139 Y HN -0.346 nan 8.280 nan 0.000 0.572 140 V N 8.307 127.863 119.914 -0.596 0.000 2.638 140 V HA 0.266 4.386 4.120 0.000 0.000 0.306 140 V C -1.217 174.564 176.094 -0.523 0.000 1.052 140 V CA -0.993 61.069 62.300 -0.396 0.000 0.885 140 V CB 1.640 33.350 31.823 -0.187 0.000 0.999 140 V HN 0.623 nan 8.190 nan 0.000 0.424 141 F N 5.263 124.984 119.950 -0.382 0.000 2.453 141 F HA 0.477 5.004 4.527 -0.000 0.000 0.358 141 F C 0.453 176.227 175.800 -0.044 0.000 1.129 141 F CA -0.936 56.961 58.000 -0.171 0.000 1.200 141 F CB 0.836 39.875 39.000 0.065 0.000 1.431 141 F HN 0.655 nan 8.300 nan 0.000 0.503 142 D N 2.022 122.238 120.400 -0.308 0.000 2.501 142 D HA 0.065 4.705 4.640 0.000 0.000 0.224 142 D C 1.835 177.917 176.300 -0.363 0.000 1.202 142 D CA -0.185 53.678 54.000 -0.230 0.000 0.829 142 D CB -0.276 40.445 40.800 -0.132 0.000 1.023 142 D HN 0.491 nan 8.370 nan 0.000 0.499 143 R N 0.057 120.150 120.500 -0.678 0.000 2.119 143 R HA -0.174 4.166 4.340 0.000 0.000 0.246 143 R C 0.583 176.404 176.300 -0.799 0.000 1.146 143 R CA 1.618 57.210 56.100 -0.846 0.000 0.962 143 R CB -0.317 29.188 30.300 -1.325 0.000 0.863 143 R HN 0.155 nan 8.270 nan 0.000 0.442 144 F N 0.522 120.307 119.950 -0.274 0.000 2.693 144 F HA 0.267 4.794 4.527 0.000 0.000 0.303 144 F C 0.263 176.006 175.800 -0.096 0.000 1.097 144 F CA -0.072 57.841 58.000 -0.146 0.000 1.330 144 F CB 0.382 39.324 39.000 -0.096 0.000 1.067 144 F HN -0.301 nan 8.300 nan 0.000 0.565 145 K N 0.188 120.581 120.400 -0.012 0.000 2.172 145 K HA 0.272 4.592 4.320 0.000 0.000 0.276 145 K C 1.046 177.624 176.600 -0.036 0.000 1.013 145 K CA -0.039 56.245 56.287 -0.006 0.000 0.913 145 K CB 1.659 34.148 32.500 -0.018 0.000 1.055 145 K HN -0.072 nan 8.250 nan 0.000 0.461 146 S N 1.473 117.164 115.700 -0.016 0.000 2.406 146 S HA -0.141 4.329 4.470 0.000 0.000 0.228 146 S C 0.783 175.365 174.600 -0.030 0.000 1.020 146 S CA 0.932 59.117 58.200 -0.025 0.000 0.965 146 S CB 0.044 63.237 63.200 -0.012 0.000 0.798 146 S HN 0.478 nan 8.310 nan 0.000 0.488 147 Q N 2.432 122.218 119.800 -0.024 0.000 2.390 147 Q HA 0.208 4.548 4.340 0.000 0.000 0.249 147 Q C -0.930 175.051 176.000 -0.033 0.000 0.996 147 Q CA -0.347 55.441 55.803 -0.024 0.000 0.899 147 Q CB 0.382 29.112 28.738 -0.013 0.000 1.216 147 Q HN -0.080 nan 8.270 nan 0.000 0.465 148 K N 1.995 122.369 120.400 -0.043 0.000 2.202 148 K HA 0.199 4.519 4.320 0.000 0.000 0.264 148 K C 0.024 176.600 176.600 -0.041 0.000 1.010 148 K CA -0.367 55.887 56.287 -0.055 0.000 0.940 148 K CB 0.425 32.885 32.500 -0.068 0.000 0.983 148 K HN 0.628 nan 8.250 nan 0.000 0.475 149 V N -1.533 118.355 119.914 -0.043 0.000 3.032 149 V HA 0.122 4.243 4.120 0.000 0.000 0.307 149 V C 0.563 176.640 176.094 -0.028 0.000 1.097 149 V CA -0.256 62.026 62.300 -0.030 0.000 1.191 149 V CB -0.455 31.350 31.823 -0.030 0.000 0.964 149 V HN 0.780 nan 8.190 nan 0.000 0.494 150 E N 4.362 124.551 120.200 -0.019 0.000 2.328 150 E HA 0.445 4.796 4.350 0.000 0.000 0.265 150 E C -2.168 174.421 176.600 -0.019 0.000 1.057 150 E CA -1.506 54.883 56.400 -0.018 0.000 0.916 150 E CB -0.525 29.168 29.700 -0.012 0.000 0.993 150 E HN 0.929 nan 8.360 nan 0.000 0.446 151 P HA 0.253 nan 4.420 nan 0.000 0.276 151 P C -0.470 176.820 177.300 -0.017 0.000 1.235 151 P CA -0.285 62.800 63.100 -0.023 0.000 0.772 151 P CB 0.698 32.383 31.700 -0.026 0.000 0.871 152 R N 1.874 122.365 120.500 -0.014 0.000 2.459 152 R HA 0.455 4.795 4.340 0.000 0.000 0.281 152 R C 1.305 177.600 176.300 -0.008 0.000 1.050 152 R CA -0.425 55.670 56.100 -0.009 0.000 1.055 152 R CB 0.818 31.114 30.300 -0.006 0.000 1.045 152 R HN 0.465 nan 8.270 nan 0.000 0.495 153 A N 3.189 126.005 122.820 -0.006 0.000 1.968 153 A HA -0.058 4.263 4.320 0.000 0.000 0.217 153 A C 0.818 178.400 177.584 -0.003 0.000 1.169 153 A CA 0.466 52.500 52.037 -0.005 0.000 0.638 153 A CB -0.131 18.866 19.000 -0.004 0.000 0.812 153 A HN 0.494 nan 8.150 nan 0.000 0.446 154 L N 0.665 121.887 121.223 -0.002 0.000 2.456 154 L HA 0.137 4.478 4.340 0.000 0.000 0.277 154 L C 0.823 177.693 176.870 0.000 0.000 1.124 154 L CA 0.594 55.434 54.840 -0.000 0.000 0.880 154 L CB 0.300 42.359 42.059 0.001 0.000 1.192 154 L HN 0.182 nan 8.230 nan 0.000 0.463 155 K N 3.883 124.283 120.400 0.000 0.000 2.391 155 K HA 0.188 4.508 4.320 0.000 0.000 0.197 155 K C -0.043 176.558 176.600 0.002 0.000 1.087 155 K CA -0.055 56.232 56.287 0.000 0.000 1.012 155 K CB 0.880 33.379 32.500 -0.002 0.000 0.925 155 K HN 0.477 nan 8.250 nan 0.000 0.547 156 K N 1.212 121.614 120.400 0.003 0.000 2.543 156 K HA 0.307 4.627 4.320 0.000 0.000 0.255 156 K C -1.795 174.808 176.600 0.005 0.000 0.934 156 K CA -0.465 55.824 56.287 0.004 0.000 0.810 156 K CB 2.366 34.867 32.500 0.002 0.000 1.315 156 K HN -0.237 nan 8.250 nan 0.000 0.433 157 V N 2.520 122.438 119.914 0.007 0.000 2.588 157 V HA 0.421 4.541 4.120 0.000 0.000 0.304 157 V C -0.649 175.449 176.094 0.007 0.000 1.042 157 V CA -0.656 61.650 62.300 0.009 0.000 0.877 157 V CB 2.111 33.943 31.823 0.014 0.000 0.996 157 V HN 0.853 nan 8.190 nan 0.000 0.425 158 T N 6.156 120.714 114.554 0.007 0.000 2.794 158 T HA 0.627 4.978 4.350 0.000 0.000 0.280 158 T C -0.358 174.344 174.700 0.003 0.000 0.987 158 T CA -0.320 61.779 62.100 -0.002 0.000 0.993 158 T CB 0.888 69.754 68.868 -0.003 0.000 0.939 158 T HN 0.359 nan 8.240 nan 0.000 0.449 159 L N 4.001 125.210 121.223 -0.022 0.000 2.275 159 L HA 0.510 4.850 4.340 0.000 0.000 0.288 159 L C -0.268 176.566 176.870 -0.061 0.000 1.046 159 L CA -0.812 54.005 54.840 -0.038 0.000 0.805 159 L CB 0.759 42.734 42.059 -0.141 0.000 1.193 159 L HN 0.372 nan 8.230 nan 0.000 0.426 160 L N 3.579 124.795 121.223 -0.010 0.000 2.289 160 L HA 0.791 5.131 4.340 0.000 0.000 0.285 160 L C 0.169 177.036 176.870 -0.005 0.000 1.049 160 L CA -0.189 54.645 54.840 -0.009 0.000 0.804 160 L CB 1.519 43.593 42.059 0.024 0.000 1.195 160 L HN 0.767 nan 8.230 nan 0.000 0.428 161 A N 1.910 124.710 122.820 -0.033 0.000 2.569 161 A HA 0.612 4.932 4.320 0.000 0.000 0.290 161 A C -1.395 176.183 177.584 -0.010 0.000 1.136 161 A CA -0.768 51.271 52.037 0.003 0.000 0.710 161 A CB 1.445 20.409 19.000 -0.059 0.000 1.303 161 A HN 0.708 nan 8.150 nan 0.000 0.413 162 D N 0.103 120.514 120.400 0.018 0.000 2.357 162 D HA 0.111 4.752 4.640 0.000 0.000 0.242 162 D C 0.708 176.963 176.300 -0.076 0.000 1.153 162 D CA -0.306 53.689 54.000 -0.009 0.000 0.918 162 D CB 0.889 41.709 40.800 0.033 0.000 1.181 162 D HN 0.434 nan 8.370 nan 0.000 0.435 163 K N 1.439 121.806 120.400 -0.055 0.000 2.103 163 K HA -0.142 4.178 4.320 0.000 0.000 0.207 163 K C 1.863 178.406 176.600 -0.095 0.000 1.048 163 K CA 1.923 58.170 56.287 -0.066 0.000 0.930 163 K CB -0.836 31.641 32.500 -0.039 0.000 0.716 163 K HN 0.522 nan 8.250 nan 0.000 0.444 164 A N -0.510 122.255 122.820 -0.093 0.000 2.015 164 A HA 0.032 4.352 4.320 0.000 0.000 0.219 164 A C 2.184 179.637 177.584 -0.219 0.000 1.163 164 A CA 1.577 53.553 52.037 -0.101 0.000 0.646 164 A CB -0.757 18.218 19.000 -0.042 0.000 0.806 164 A HN 0.463 nan 8.150 nan 0.000 0.448 165 G N -1.403 107.135 108.800 -0.436 0.000 2.939 165 G HA2 0.036 3.996 3.960 0.000 0.000 0.210 165 G HA3 0.036 3.996 3.960 0.000 0.000 0.210 165 G C 1.343 175.943 174.900 -0.499 0.000 1.160 165 G CA 0.677 45.169 45.100 -1.012 0.000 0.770 165 G HN 0.593 nan 8.290 nan 0.000 0.543 166 Q N 0.372 120.008 119.800 -0.272 0.000 2.084 166 Q HA -0.034 4.306 4.340 0.000 0.000 0.202 166 Q C 2.693 178.623 176.000 -0.116 0.000 0.978 166 Q CA 1.656 57.358 55.803 -0.169 0.000 0.844 166 Q CB -0.234 28.434 28.738 -0.117 0.000 0.898 166 Q HN 0.365 nan 8.270 nan 0.000 0.426 167 A N 0.656 123.419 122.820 -0.094 0.000 1.930 167 A HA -0.177 4.143 4.320 0.000 0.000 0.217 167 A C 1.913 179.482 177.584 -0.025 0.000 1.175 167 A CA 1.449 53.453 52.037 -0.054 0.000 0.627 167 A CB -0.451 18.522 19.000 -0.045 0.000 0.815 167 A HN 0.384 nan 8.150 nan 0.000 0.443 168 E N -0.061 120.135 120.200 -0.007 0.000 2.072 168 E HA -0.101 4.249 4.350 0.000 0.000 0.191 168 E C 2.218 178.917 176.600 0.166 0.000 0.985 168 E CA 1.277 57.739 56.400 0.103 0.000 0.801 168 E CB -0.499 29.302 29.700 0.169 0.000 0.750 168 E HN 0.399 nan 8.360 nan 0.000 0.452 169 V N 1.603 121.555 119.914 0.063 0.000 2.343 169 V HA -0.244 3.876 4.120 0.000 0.000 0.247 169 V C 2.140 178.221 176.094 -0.023 0.000 1.051 169 V CA 1.822 64.117 62.300 -0.008 0.000 1.036 169 V CB -0.506 31.171 31.823 -0.244 0.000 0.654 169 V HN 0.245 nan 8.190 nan 0.000 0.451 170 E N -0.187 119.991 120.200 -0.037 0.000 2.110 170 E HA -0.247 4.103 4.350 0.000 0.000 0.193 170 E C 2.425 179.006 176.600 -0.032 0.000 0.988 170 E CA 1.192 57.570 56.400 -0.037 0.000 0.804 170 E CB -0.178 29.497 29.700 -0.041 0.000 0.745 170 E HN 0.476 nan 8.360 nan 0.000 0.458 171 R N 0.646 121.139 120.500 -0.011 0.000 2.075 171 R HA -0.099 4.241 4.340 0.000 0.000 0.232 171 R C 2.273 178.532 176.300 -0.069 0.000 1.126 171 R CA 1.194 57.243 56.100 -0.085 0.000 0.963 171 R CB -0.167 30.105 30.300 -0.046 0.000 0.858 171 R HN 0.131 nan 8.270 nan 0.000 0.435 172 A N 0.274 123.160 122.820 0.111 0.000 1.908 172 A HA -0.135 4.185 4.320 0.000 0.000 0.218 172 A C 2.241 179.810 177.584 -0.024 0.000 1.181 172 A CA 1.755 53.743 52.037 -0.081 0.000 0.627 172 A CB -0.646 18.291 19.000 -0.105 0.000 0.818 172 A HN 0.236 nan 8.150 nan 0.000 0.445 173 V N 0.213 120.127 119.914 0.000 0.000 2.427 173 V HA -0.257 3.863 4.120 0.000 0.000 0.248 173 V C 2.537 178.645 176.094 0.023 0.000 1.051 173 V CA 2.341 64.650 62.300 0.015 0.000 1.048 173 V CB -0.630 31.194 31.823 0.001 0.000 0.666 173 V HN 0.699 nan 8.190 nan 0.000 0.456 174 K N -0.425 119.972 120.400 -0.005 0.000 2.026 174 K HA -0.220 4.100 4.320 0.000 0.000 0.208 174 K C 2.126 178.809 176.600 0.139 0.000 1.048 174 K CA 2.045 58.350 56.287 0.030 0.000 0.929 174 K CB -0.281 32.203 32.500 -0.026 0.000 0.713 174 K HN 0.657 nan 8.250 nan 0.000 0.439 175 H N -0.764 118.358 119.070 0.087 0.000 2.326 175 H HA -0.050 4.506 4.556 0.000 0.000 0.301 175 H C 2.120 177.474 175.328 0.044 0.000 1.081 175 H CA 0.684 56.780 56.048 0.080 0.000 1.334 175 H CB 0.034 29.880 29.762 0.139 0.000 1.385 175 H HN 0.379 nan 8.280 nan 0.000 0.504 176 A N 0.728 123.637 122.820 0.148 0.000 1.908 176 A HA -0.201 4.120 4.320 0.000 0.000 0.218 176 A C 2.480 180.107 177.584 0.072 0.000 1.181 176 A CA 1.834 53.918 52.037 0.079 0.000 0.627 176 A CB -0.625 18.403 19.000 0.047 0.000 0.818 176 A HN 0.305 nan 8.150 nan 0.000 0.445 177 S N -0.032 115.712 115.700 0.074 0.000 2.368 177 S HA -0.071 4.399 4.470 0.000 0.000 0.225 177 S C 2.311 176.951 174.600 0.067 0.000 1.030 177 S CA 1.260 59.498 58.200 0.063 0.000 0.999 177 S CB -0.516 62.718 63.200 0.055 0.000 0.844 177 S HN 0.817 nan 8.310 nan 0.000 0.459 178 A N 1.472 124.340 122.820 0.080 0.000 1.877 178 A HA -0.045 4.275 4.320 0.000 0.000 0.216 178 A C 2.094 179.713 177.584 0.057 0.000 1.186 178 A CA 1.235 53.312 52.037 0.066 0.000 0.620 178 A CB -0.748 18.294 19.000 0.069 0.000 0.822 178 A HN 0.468 nan 8.150 nan 0.000 0.443 179 I N -0.204 120.401 120.570 0.059 0.000 2.163 179 I HA -0.310 3.861 4.170 0.000 0.000 0.243 179 I C 2.975 179.122 176.117 0.050 0.000 1.085 179 I CA 1.222 62.549 61.300 0.046 0.000 1.347 179 I CB -0.341 37.682 38.000 0.040 0.000 1.044 179 I HN 0.361 nan 8.210 nan 0.000 0.408 180 A N 0.012 122.864 122.820 0.052 0.000 1.933 180 A HA -0.190 4.130 4.320 0.000 0.000 0.218 180 A C 2.365 179.996 177.584 0.079 0.000 1.175 180 A CA 2.333 54.403 52.037 0.056 0.000 0.628 180 A CB -1.017 18.016 19.000 0.055 0.000 0.814 180 A HN 0.394 nan 8.150 nan 0.000 0.444 181 T N -0.335 114.267 114.554 0.080 0.000 2.777 181 T HA -0.026 4.324 4.350 0.000 0.000 0.266 181 T C 1.964 176.739 174.700 0.126 0.000 1.040 181 T CA 1.417 63.572 62.100 0.090 0.000 1.141 181 T CB -0.543 68.363 68.868 0.062 0.000 0.868 181 T HN 0.581 nan 8.240 nan 0.000 0.444 182 G N 1.185 110.056 108.800 0.118 0.000 2.421 182 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 182 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 182 G C 1.570 176.566 174.900 0.161 0.000 1.171 182 G CA 0.639 45.840 45.100 0.168 0.000 0.775 182 G HN 0.402 nan 8.290 nan 0.000 0.543 183 M N 0.883 120.536 119.600 0.088 0.000 2.149 183 M HA -0.059 4.422 4.480 0.000 0.000 0.261 183 M C 3.001 179.321 176.300 0.034 0.000 1.064 183 M CA 1.481 56.800 55.300 0.031 0.000 1.102 183 M CB -0.226 32.366 32.600 -0.013 0.000 1.369 183 M HN 0.321 nan 8.290 nan 0.000 0.408 184 A N -0.091 122.802 122.820 0.122 0.000 1.930 184 A HA -0.168 4.153 4.320 0.000 0.000 0.217 184 A C 1.970 179.753 177.584 0.332 0.000 1.175 184 A CA 1.178 53.354 52.037 0.232 0.000 0.627 184 A CB -0.832 18.363 19.000 0.325 0.000 0.815 184 A HN 0.486 nan 8.150 nan 0.000 0.443 185 F N 1.592 121.600 119.950 0.098 0.000 2.102 185 F HA -0.108 4.419 4.527 0.000 0.000 0.298 185 F C 2.464 178.295 175.800 0.052 0.000 1.105 185 F CA 2.030 60.074 58.000 0.074 0.000 1.239 185 F CB -1.145 37.882 39.000 0.045 0.000 0.991 185 F HN 0.224 nan 8.300 nan 0.000 0.474 186 T N 1.056 115.642 114.554 0.053 0.000 2.665 186 T HA -0.229 4.121 4.350 0.000 0.000 0.268 186 T C 2.140 176.813 174.700 -0.046 0.000 1.035 186 T CA 1.968 64.026 62.100 -0.070 0.000 1.151 186 T CB -0.267 68.582 68.868 -0.031 0.000 0.862 186 T HN 0.244 nan 8.240 nan 0.000 0.438 187 R N 0.763 121.223 120.500 -0.068 0.000 2.081 187 R HA -0.072 4.268 4.340 0.000 0.000 0.235 187 R C 2.300 178.576 176.300 -0.040 0.000 1.131 187 R CA 1.439 57.438 56.100 -0.167 0.000 0.960 187 R CB -0.284 29.655 30.300 -0.602 0.000 0.856 187 R HN 0.350 nan 8.270 nan 0.000 0.436 188 D N 0.814 121.314 120.400 0.166 0.000 2.097 188 D HA -0.145 4.496 4.640 0.000 0.000 0.195 188 D C 1.988 178.352 176.300 0.106 0.000 0.989 188 D CA 1.128 55.273 54.000 0.242 0.000 0.827 188 D CB -0.197 40.870 40.800 0.445 0.000 0.966 188 D HN 0.156 nan 8.370 nan 0.000 0.456 189 L N 0.420 121.685 121.223 0.070 0.000 2.046 189 L HA -0.078 4.262 4.340 0.000 0.000 0.208 189 L C 2.594 179.459 176.870 -0.009 0.000 1.077 189 L CA 1.431 56.290 54.840 0.032 0.000 0.747 189 L CB -0.791 41.198 42.059 -0.117 0.000 0.896 189 L HN 0.094 nan 8.230 nan 0.000 0.432 190 G N -0.131 108.664 108.800 -0.008 0.000 2.418 190 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 190 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 190 G C 1.380 176.225 174.900 -0.092 0.000 1.158 190 G CA 0.676 45.806 45.100 0.049 0.000 0.771 190 G HN 0.314 nan 8.290 nan 0.000 0.545 191 N N 0.208 118.817 118.700 -0.153 0.000 2.331 191 N HA 0.041 4.781 4.740 0.000 0.000 0.180 191 N C 1.004 176.314 175.510 -0.332 0.000 1.019 191 N CA 0.002 52.822 53.050 -0.383 0.000 0.881 191 N CB -0.147 37.745 38.487 -0.991 0.000 0.972 191 N HN 0.261 nan 8.380 nan 0.000 0.435 192 L N 3.098 124.242 121.223 -0.133 0.000 2.525 192 L HA 0.054 4.395 4.340 0.000 0.000 0.278 192 L C -1.789 174.988 176.870 -0.155 0.000 1.218 192 L CA -1.132 53.758 54.840 0.083 0.000 0.878 192 L CB 0.212 42.304 42.059 0.055 0.000 1.127 192 L HN -0.001 nan 8.230 nan 0.000 0.492 193 P HA 0.118 nan 4.420 nan 0.000 0.274 193 P C -2.334 174.808 177.300 -0.263 0.000 1.231 193 P CA -1.562 61.352 63.100 -0.310 0.000 0.790 193 P CB 0.451 31.891 31.700 -0.433 0.000 0.951 194 P HA -0.095 nan 4.420 nan 0.000 0.233 194 P C 0.919 178.131 177.300 -0.145 0.000 1.167 194 P CA 1.000 64.000 63.100 -0.167 0.000 0.770 194 P CB -0.180 31.428 31.700 -0.152 0.000 0.837 195 N N 0.347 118.936 118.700 -0.185 0.000 2.396 195 N HA -0.072 4.668 4.740 0.000 0.000 0.180 195 N C 1.594 177.060 175.510 -0.073 0.000 1.028 195 N CA 0.886 53.872 53.050 -0.105 0.000 0.893 195 N CB -1.004 37.405 38.487 -0.130 0.000 0.967 195 N HN 0.265 nan 8.380 nan 0.000 0.440 196 L N -0.439 120.656 121.223 -0.213 0.000 2.362 196 L HA 0.213 4.553 4.340 0.000 0.000 0.204 196 L C 0.708 177.122 176.870 -0.759 0.000 1.060 196 L CA 0.004 54.612 54.840 -0.385 0.000 0.827 196 L CB 0.132 41.999 42.059 -0.320 0.000 1.027 196 L HN 0.112 nan 8.230 nan 0.000 0.474 197 C N 2.184 121.158 119.300 -0.544 0.000 2.183 197 C HA 0.328 4.788 4.460 0.000 0.000 0.409 197 C C 0.418 175.334 174.990 -0.123 0.000 1.022 197 C CA -0.680 58.091 59.018 -0.411 0.000 1.367 197 C CB -2.264 25.349 27.740 -0.211 0.000 1.650 197 C HN 0.404 nan 8.230 nan 0.000 0.499 198 H N 3.206 122.348 119.070 0.121 0.000 2.771 198 H HA 0.604 5.160 4.556 0.000 0.000 0.344 198 H C -2.405 173.037 175.328 0.190 0.000 1.260 198 H CA -2.627 53.496 56.048 0.125 0.000 1.276 198 H CB -0.475 29.333 29.762 0.076 0.000 1.881 198 H HN -0.086 nan 8.280 nan 0.000 0.615 199 P HA -0.093 nan 4.420 nan 0.000 0.217 199 P C 1.158 178.635 177.300 0.296 0.000 1.150 199 P CA 1.772 65.034 63.100 0.271 0.000 0.832 199 P CB 0.088 31.903 31.700 0.191 0.000 0.787 200 S N -1.063 114.862 115.700 0.375 0.000 2.383 200 S HA -0.134 4.336 4.470 0.000 0.000 0.227 200 S C 1.626 176.434 174.600 0.346 0.000 1.026 200 S CA 0.744 59.125 58.200 0.302 0.000 0.981 200 S CB -1.072 62.253 63.200 0.208 0.000 0.818 200 S HN 0.126 nan 8.310 nan 0.000 0.472 201 F N 2.621 122.746 119.950 0.292 0.000 2.102 201 F HA -0.076 4.452 4.527 0.001 0.000 0.298 201 F C 1.730 177.577 175.800 0.079 0.000 1.105 201 F CA 1.284 59.314 58.000 0.050 0.000 1.239 201 F CB -0.436 38.402 39.000 -0.270 0.000 0.991 201 F HN 0.084 nan 8.300 nan 0.000 0.474 202 L N 0.059 121.324 121.223 0.069 0.000 2.083 202 L HA -0.207 4.133 4.340 0.000 0.000 0.209 202 L C 2.804 179.737 176.870 0.105 0.000 1.083 202 L CA 1.117 55.983 54.840 0.044 0.000 0.752 202 L CB -1.302 40.913 42.059 0.260 0.000 0.899 202 L HN 0.292 nan 8.230 nan 0.000 0.433 203 A N -0.400 122.486 122.820 0.110 0.000 1.898 203 A HA -0.166 4.155 4.320 0.000 0.000 0.216 203 A C 2.229 179.848 177.584 0.059 0.000 1.181 203 A CA 1.295 53.396 52.037 0.106 0.000 0.620 203 A CB -0.269 18.791 19.000 0.101 0.000 0.819 203 A HN 0.313 nan 8.150 nan 0.000 0.442 204 E N 0.001 120.194 120.200 -0.011 0.000 2.072 204 E HA -0.165 4.185 4.350 0.000 0.000 0.191 204 E C 2.213 178.757 176.600 -0.093 0.000 0.985 204 E CA 0.979 57.355 56.400 -0.041 0.000 0.801 204 E CB -0.386 29.286 29.700 -0.046 0.000 0.750 204 E HN 0.596 nan 8.360 nan 0.000 0.452 205 Q N 0.272 119.920 119.800 -0.255 0.000 2.096 205 Q HA -0.125 4.215 4.340 0.000 0.000 0.204 205 Q C 2.140 178.192 176.000 0.087 0.000 0.982 205 Q CA 1.519 57.195 55.803 -0.212 0.000 0.850 205 Q CB -0.439 28.000 28.738 -0.498 0.000 0.901 205 Q HN 0.251 nan 8.270 nan 0.000 0.422 206 A N 1.352 124.328 122.820 0.260 0.000 1.877 206 A HA -0.185 4.135 4.320 0.000 0.000 0.216 206 A C 2.098 179.800 177.584 0.197 0.000 1.186 206 A CA 1.554 53.809 52.037 0.363 0.000 0.620 206 A CB -0.358 18.810 19.000 0.280 0.000 0.822 206 A HN 0.261 nan 8.150 nan 0.000 0.443 207 K N -0.305 120.169 120.400 0.124 0.000 2.147 207 K HA -0.160 4.160 4.320 0.000 0.000 0.205 207 K C 1.915 178.568 176.600 0.087 0.000 1.049 207 K CA 1.607 57.950 56.287 0.093 0.000 0.936 207 K CB -0.159 32.382 32.500 0.067 0.000 0.722 207 K HN 0.638 nan 8.250 nan 0.000 0.446 208 E N 0.629 120.873 120.200 0.074 0.000 2.107 208 E HA -0.168 4.182 4.350 0.000 0.000 0.191 208 E C 1.954 178.607 176.600 0.089 0.000 0.982 208 E CA 0.605 57.038 56.400 0.056 0.000 0.809 208 E CB -0.008 29.703 29.700 0.018 0.000 0.756 208 E HN 0.095 nan 8.360 nan 0.000 0.459 209 L N 0.712 122.021 121.223 0.144 0.000 2.056 209 L HA -0.040 4.300 4.340 0.000 0.000 0.207 209 L C 2.201 179.226 176.870 0.258 0.000 1.078 209 L CA 1.939 56.911 54.840 0.220 0.000 0.749 209 L CB -0.712 41.516 42.059 0.283 0.000 0.901 209 L HN 0.100 nan 8.230 nan 0.000 0.433 210 G N -0.850 108.064 108.800 0.190 0.000 2.440 210 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 210 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 210 G C 1.694 176.675 174.900 0.135 0.000 1.154 210 G CA 0.865 46.065 45.100 0.166 0.000 0.767 210 G HN 0.390 nan 8.290 nan 0.000 0.552 211 K N 0.420 120.878 120.400 0.096 0.000 2.209 211 K HA 0.094 4.414 4.320 0.000 0.000 0.204 211 K C 2.586 179.197 176.600 0.018 0.000 1.048 211 K CA 0.866 57.185 56.287 0.053 0.000 0.940 211 K CB -0.075 32.447 32.500 0.036 0.000 0.729 211 K HN 0.297 nan 8.250 nan 0.000 0.451 212 A N 0.522 123.343 122.820 0.001 0.000 2.218 212 A HA 0.004 4.324 4.320 0.000 0.000 0.209 212 A C -0.073 177.244 177.584 -0.445 0.000 1.168 212 A CA 0.273 52.195 52.037 -0.191 0.000 0.804 212 A CB 0.023 18.889 19.000 -0.224 0.000 0.834 212 A HN 0.181 nan 8.150 nan 0.000 0.482 213 H N -0.975 118.128 119.070 0.054 0.000 2.744 213 H HA 0.218 4.774 4.556 0.000 0.000 0.339 213 H C 0.250 175.629 175.328 0.086 0.000 1.004 213 H CA -0.463 55.630 56.048 0.075 0.000 1.257 213 H CB 1.760 31.579 29.762 0.095 0.000 1.552 213 H HN 0.237 nan 8.280 nan 0.000 0.522 214 K N 2.599 123.093 120.400 0.158 0.000 2.097 214 K HA -0.027 4.293 4.320 0.000 0.000 0.206 214 K C 1.507 178.181 176.600 0.123 0.000 1.049 214 K CA 1.244 57.599 56.287 0.113 0.000 0.933 214 K CB 0.165 32.712 32.500 0.079 0.000 0.717 214 K HN 0.574 nan 8.250 nan 0.000 0.442 215 A N 0.655 123.576 122.820 0.169 0.000 2.278 215 A HA 0.128 4.449 4.320 0.000 0.000 0.212 215 A C 0.140 177.815 177.584 0.152 0.000 1.213 215 A CA -0.116 51.983 52.037 0.104 0.000 0.840 215 A CB 0.010 19.036 19.000 0.043 0.000 0.866 215 A HN 0.235 nan 8.150 nan 0.000 0.489 216 L N -0.186 121.162 121.223 0.209 0.000 2.341 216 L HA 0.527 4.867 4.340 0.000 0.000 0.278 216 L C -0.363 176.593 176.870 0.143 0.000 1.005 216 L CA -0.381 54.583 54.840 0.207 0.000 0.818 216 L CB 1.523 43.722 42.059 0.233 0.000 1.259 216 L HN 0.104 nan 8.230 nan 0.000 0.418 217 K N 4.636 125.107 120.400 0.118 0.000 2.397 217 K HA 0.663 4.983 4.320 0.000 0.000 0.253 217 K C -2.010 174.649 176.600 0.099 0.000 0.932 217 K CA -0.581 55.766 56.287 0.100 0.000 0.795 217 K CB 1.936 34.489 32.500 0.088 0.000 1.159 217 K HN 0.500 nan 8.250 nan 0.000 0.424 218 V N 3.377 123.348 119.914 0.095 0.000 2.495 218 V HA 0.391 4.511 4.120 0.000 0.000 0.298 218 V C -0.593 175.553 176.094 0.086 0.000 1.031 218 V CA -0.751 61.603 62.300 0.089 0.000 0.871 218 V CB 1.599 33.480 31.823 0.096 0.000 0.988 218 V HN 0.862 nan 8.190 nan 0.000 0.432 219 E N 3.042 123.294 120.200 0.086 0.000 2.248 219 E HA 0.706 5.056 4.350 0.000 0.000 0.267 219 E C -1.925 174.713 176.600 0.063 0.000 0.877 219 E CA -0.535 55.915 56.400 0.083 0.000 0.759 219 E CB 2.434 32.203 29.700 0.115 0.000 1.182 219 E HN 0.449 nan 8.360 nan 0.000 0.418 220 V N 4.857 124.801 119.914 0.050 0.000 2.448 220 V HA 0.346 4.466 4.120 0.000 0.000 0.295 220 V C -0.785 175.316 176.094 0.011 0.000 1.025 220 V CA -0.812 61.508 62.300 0.032 0.000 0.859 220 V CB 1.295 33.144 31.823 0.044 0.000 0.988 220 V HN 0.575 nan 8.190 nan 0.000 0.431 221 L N 5.684 126.891 121.223 -0.026 0.000 2.272 221 L HA 0.502 4.842 4.340 0.000 0.000 0.289 221 L C 0.279 177.105 176.870 -0.073 0.000 1.032 221 L CA -0.183 54.622 54.840 -0.058 0.000 0.810 221 L CB 1.125 43.108 42.059 -0.126 0.000 1.205 221 L HN 0.803 nan 8.230 nan 0.000 0.422 222 D N 0.987 121.359 120.400 -0.047 0.000 2.478 222 D HA 0.035 4.676 4.640 0.000 0.000 0.269 222 D C 0.869 177.131 176.300 -0.063 0.000 1.232 222 D CA -0.460 53.517 54.000 -0.039 0.000 1.059 222 D CB 0.517 41.313 40.800 -0.007 0.000 1.104 222 D HN 0.589 nan 8.370 nan 0.000 0.566 223 E N -0.566 119.618 120.200 -0.026 0.000 2.110 223 E HA -0.256 4.094 4.350 0.000 0.000 0.193 223 E C 1.769 178.402 176.600 0.056 0.000 0.988 223 E CA 0.998 57.407 56.400 0.014 0.000 0.804 223 E CB 0.038 29.772 29.700 0.057 0.000 0.745 223 E HN 0.466 nan 8.360 nan 0.000 0.458 224 K N 0.635 121.052 120.400 0.029 0.000 2.057 224 K HA -0.229 4.091 4.320 0.000 0.000 0.207 224 K C 2.197 178.780 176.600 -0.029 0.000 1.049 224 K CA 1.620 57.909 56.287 0.003 0.000 0.931 224 K CB -0.031 32.470 32.500 0.002 0.000 0.714 224 K HN -0.126 nan 8.250 nan 0.000 0.440 225 K N 1.291 121.670 120.400 -0.033 0.000 2.057 225 K HA -0.057 4.264 4.320 0.000 0.000 0.206 225 K C 1.827 178.387 176.600 -0.068 0.000 1.050 225 K CA 1.314 57.576 56.287 -0.040 0.000 0.935 225 K CB -0.251 32.228 32.500 -0.034 0.000 0.715 225 K HN 0.201 nan 8.250 nan 0.000 0.439 226 I N 0.662 121.158 120.570 -0.122 0.000 2.163 226 I HA -0.310 3.861 4.170 0.000 0.000 0.243 226 I C 2.502 178.567 176.117 -0.087 0.000 1.085 226 I CA 1.464 62.652 61.300 -0.186 0.000 1.347 226 I CB -0.267 37.494 38.000 -0.398 0.000 1.044 226 I HN 0.248 nan 8.210 nan 0.000 0.408 227 K N 0.729 121.085 120.400 -0.073 0.000 2.026 227 K HA -0.223 4.098 4.320 0.000 0.000 0.208 227 K C 1.648 178.174 176.600 -0.124 0.000 1.048 227 K CA 1.899 58.077 56.287 -0.183 0.000 0.929 227 K CB -0.017 32.245 32.500 -0.395 0.000 0.713 227 K HN 0.208 nan 8.250 nan 0.000 0.439 228 D N 0.718 121.067 120.400 -0.084 0.000 2.219 228 D HA -0.106 4.535 4.640 0.000 0.000 0.205 228 D C 1.719 178.006 176.300 -0.021 0.000 0.970 228 D CA 0.745 54.714 54.000 -0.052 0.000 0.851 228 D CB 0.022 40.800 40.800 -0.036 0.000 0.943 228 D HN 0.232 nan 8.370 nan 0.000 0.488 229 L N -0.478 120.742 121.223 -0.005 0.000 2.465 229 L HA 0.049 4.389 4.340 0.000 0.000 0.224 229 L C 1.476 178.370 176.870 0.040 0.000 1.145 229 L CA 0.698 55.560 54.840 0.036 0.000 0.834 229 L CB -0.158 41.948 42.059 0.079 0.000 0.944 229 L HN 0.166 nan 8.230 nan 0.000 0.451 230 G N -0.424 108.385 108.800 0.015 0.000 2.131 230 G HA2 -0.289 3.671 3.960 0.000 0.000 0.223 230 G HA3 -0.289 3.671 3.960 0.000 0.000 0.223 230 G C 0.340 175.278 174.900 0.063 0.000 0.990 230 G CA -0.243 44.873 45.100 0.027 0.000 0.671 230 G HN 0.245 nan 8.290 nan 0.000 0.521 231 M N 2.070 121.712 119.600 0.071 0.000 3.436 231 M HA 0.325 4.805 4.480 0.000 0.000 0.240 231 M C 1.870 178.272 176.300 0.170 0.000 1.469 231 M CA 0.616 55.998 55.300 0.136 0.000 1.622 231 M CB 0.205 32.882 32.600 0.128 0.000 1.098 231 M HN 0.240 nan 8.290 nan 0.000 0.568 232 G N 0.531 109.419 108.800 0.147 0.000 2.443 232 G HA2 -0.101 3.859 3.960 0.000 0.000 0.219 232 G HA3 -0.101 3.859 3.960 0.000 0.000 0.219 232 G C 1.478 176.505 174.900 0.211 0.000 1.131 232 G CA 0.966 46.162 45.100 0.160 0.000 0.775 232 G HN 0.675 nan 8.290 nan 0.000 0.547 233 A N 0.437 123.374 122.820 0.196 0.000 1.897 233 A HA 0.182 4.502 4.320 0.000 0.000 0.215 233 A C 2.110 179.824 177.584 0.215 0.000 1.181 233 A CA 1.195 53.336 52.037 0.174 0.000 0.620 233 A CB -0.508 18.566 19.000 0.124 0.000 0.821 233 A HN 0.270 nan 8.150 nan 0.000 0.443 234 F N -0.566 119.421 119.950 0.061 0.000 2.102 234 F HA -0.176 4.352 4.527 0.001 0.000 0.298 234 F C 2.146 177.984 175.800 0.063 0.000 1.105 234 F CA 1.300 59.327 58.000 0.045 0.000 1.239 234 F CB -1.054 37.974 39.000 0.045 0.000 0.991 234 F HN 0.413 nan 8.300 nan 0.000 0.474 235 Y N 0.603 121.041 120.300 0.230 0.000 2.165 235 Y HA -0.177 4.373 4.550 0.001 0.000 0.286 235 Y C 2.407 178.371 175.900 0.107 0.000 1.155 235 Y CA 1.927 60.089 58.100 0.103 0.000 1.164 235 Y CB -0.795 37.684 38.460 0.032 0.000 0.978 235 Y HN 0.068 nan 8.280 nan 0.000 0.513 236 A N -0.807 122.123 122.820 0.183 0.000 1.940 236 A HA -0.170 4.150 4.320 0.000 0.000 0.219 236 A C 2.324 179.903 177.584 -0.008 0.000 1.176 236 A CA 1.996 54.083 52.037 0.084 0.000 0.631 236 A CB -1.280 17.795 19.000 0.124 0.000 0.814 236 A HN 0.348 nan 8.150 nan 0.000 0.446 237 V N -0.407 119.522 119.914 0.026 0.000 2.358 237 V HA -0.137 3.983 4.120 0.000 0.000 0.246 237 V C 2.710 178.787 176.094 -0.029 0.000 1.047 237 V CA 1.958 64.257 62.300 -0.002 0.000 1.035 237 V CB -1.181 30.641 31.823 -0.002 0.000 0.658 237 V HN 0.611 nan 8.190 nan 0.000 0.452 238 G N -0.158 108.619 108.800 -0.039 0.000 2.572 238 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 238 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 238 G C 1.416 176.217 174.900 -0.165 0.000 1.133 238 G CA 0.644 45.703 45.100 -0.069 0.000 0.791 238 G HN 0.680 nan 8.290 nan 0.000 0.538 239 Q N -0.040 119.592 119.800 -0.280 0.000 2.291 239 Q HA 0.091 4.432 4.340 0.000 0.000 0.205 239 Q C 2.323 178.244 176.000 -0.132 0.000 0.970 239 Q CA 1.240 56.857 55.803 -0.310 0.000 0.876 239 Q CB -0.487 28.012 28.738 -0.398 0.000 0.935 239 Q HN 0.230 nan 8.270 nan 0.000 0.455 240 G N 0.947 109.697 108.800 -0.084 0.000 2.471 240 G HA2 -0.139 3.821 3.960 0.000 0.000 0.219 240 G HA3 -0.139 3.821 3.960 0.000 0.000 0.219 240 G C 0.549 175.431 174.900 -0.030 0.000 1.125 240 G CA 0.428 45.504 45.100 -0.040 0.000 0.775 240 G HN 0.345 nan 8.290 nan 0.000 0.548 241 S N -0.454 115.224 115.700 -0.035 0.000 2.616 241 S HA 0.309 4.779 4.470 0.000 0.000 0.277 241 S C 0.815 175.396 174.600 -0.031 0.000 1.234 241 S CA -0.602 57.585 58.200 -0.022 0.000 1.028 241 S CB 1.174 64.370 63.200 -0.007 0.000 0.988 241 S HN 0.103 nan 8.310 nan 0.000 0.522 242 D N 1.252 121.635 120.400 -0.029 0.000 2.269 242 D HA 0.020 4.660 4.640 0.000 0.000 0.208 242 D C 0.189 176.458 176.300 -0.052 0.000 0.963 242 D CA 1.013 54.991 54.000 -0.036 0.000 0.864 242 D CB 0.110 40.888 40.800 -0.036 0.000 0.936 242 D HN 0.427 nan 8.370 nan 0.000 0.505 243 Q N 1.563 121.330 119.800 -0.055 0.000 2.322 243 Q HA 0.237 4.577 4.340 0.000 0.000 0.256 243 Q C -2.201 173.776 176.000 -0.037 0.000 0.960 243 Q CA -1.749 54.006 55.803 -0.081 0.000 0.934 243 Q CB 1.548 30.239 28.738 -0.077 0.000 1.200 243 Q HN 0.198 nan 8.270 nan 0.000 0.435 244 P HA 0.282 nan 4.420 nan 0.000 0.276 244 P C -2.607 174.706 177.300 0.021 0.000 1.244 244 P CA -1.554 61.536 63.100 -0.017 0.000 0.801 244 P CB 0.220 31.912 31.700 -0.014 0.000 1.006 245 P HA 0.317 nan 4.420 nan 0.000 0.276 245 P C -0.511 176.819 177.300 0.049 0.000 1.252 245 P CA -0.135 63.022 63.100 0.094 0.000 0.802 245 P CB 0.708 32.486 31.700 0.130 0.000 1.035 246 R N 0.785 121.352 120.500 0.112 0.000 2.604 246 R HA 0.478 4.818 4.340 0.000 0.000 0.281 246 R C -1.223 175.149 176.300 0.119 0.000 1.020 246 R CA -0.994 55.142 56.100 0.060 0.000 0.899 246 R CB 1.520 31.876 30.300 0.094 0.000 1.205 246 R HN 0.426 nan 8.270 nan 0.000 0.450 247 L N 4.285 125.500 121.223 -0.012 0.000 2.276 247 L HA 0.537 4.877 4.340 0.000 0.000 0.286 247 L C -0.775 176.088 176.870 -0.012 0.000 1.024 247 L CA -0.236 54.627 54.840 0.038 0.000 0.826 247 L CB 0.696 42.681 42.059 -0.123 0.000 1.211 247 L HN 0.555 nan 8.230 nan 0.000 0.422 248 I N 5.783 126.363 120.570 0.017 0.000 2.336 248 I HA 0.418 4.588 4.170 0.000 0.000 0.292 248 I C -0.631 175.472 176.117 -0.024 0.000 0.991 248 I CA -0.831 60.468 61.300 -0.002 0.000 1.227 248 I CB 1.763 39.759 38.000 -0.007 0.000 1.366 248 I HN 0.252 nan 8.210 nan 0.000 0.466 249 V N 7.631 127.550 119.914 0.009 0.000 2.384 249 V HA 0.419 4.539 4.120 0.000 0.000 0.287 249 V C -0.371 175.732 176.094 0.016 0.000 1.020 249 V CA -0.535 61.785 62.300 0.032 0.000 0.850 249 V CB 1.499 33.411 31.823 0.148 0.000 0.987 249 V HN 0.411 nan 8.190 nan 0.000 0.436 250 L N 4.725 125.929 121.223 -0.032 0.000 2.342 250 L HA 0.556 4.896 4.340 0.000 0.000 0.276 250 L C -0.073 176.797 176.870 -0.000 0.000 0.997 250 L CA -0.139 54.698 54.840 -0.005 0.000 0.838 250 L CB 1.427 43.463 42.059 -0.038 0.000 1.224 250 L HN 0.481 nan 8.230 nan 0.000 0.416 251 N N 2.388 121.114 118.700 0.044 0.000 2.511 251 N HA 0.151 4.891 4.740 0.000 0.000 0.249 251 N C -1.605 173.971 175.510 0.111 0.000 0.971 251 N CA -0.447 52.627 53.050 0.040 0.000 0.938 251 N CB 0.835 39.349 38.487 0.046 0.000 1.131 251 N HN 0.482 nan 8.380 nan 0.000 0.505 252 Y N 3.285 123.582 120.300 -0.004 0.000 2.404 252 Y HA 0.312 4.862 4.550 0.001 0.000 0.344 252 Y C -0.343 175.575 175.900 0.029 0.000 0.970 252 Y CA -0.454 57.656 58.100 0.016 0.000 1.180 252 Y CB 0.764 39.227 38.460 0.006 0.000 1.138 252 Y HN 0.334 nan 8.280 nan 0.000 0.510 253 Q N 5.493 125.040 119.800 -0.420 0.000 2.771 253 Q HA 0.264 4.604 4.340 0.000 0.000 0.239 253 Q C 0.697 176.349 176.000 -0.580 0.000 1.231 253 Q CA 0.152 55.733 55.803 -0.369 0.000 1.056 253 Q CB 1.169 29.817 28.738 -0.151 0.000 1.284 253 Q HN 1.121 nan 8.270 nan 0.000 0.558 254 G N 0.369 108.659 108.800 -0.850 0.000 2.887 254 G HA2 0.139 4.099 3.960 0.000 0.000 0.211 254 G HA3 0.139 4.099 3.960 0.000 0.000 0.211 254 G C 0.659 175.460 174.900 -0.165 0.000 1.152 254 G CA 0.351 45.096 45.100 -0.591 0.000 0.769 254 G HN 0.490 nan 8.290 nan 0.000 0.541 255 G N -0.056 108.678 108.800 -0.110 0.000 2.568 255 G HA2 0.485 4.445 3.960 0.000 0.000 0.293 255 G HA3 0.485 4.445 3.960 0.000 0.000 0.293 255 G C -0.289 174.594 174.900 -0.029 0.000 1.347 255 G CA -0.840 44.247 45.100 -0.020 0.000 1.039 255 G HN 0.223 nan 8.290 nan 0.000 0.523 256 K N -0.044 120.352 120.400 -0.006 0.000 2.355 256 K HA 0.065 4.385 4.320 0.000 0.000 0.270 256 K C 1.260 177.853 176.600 -0.012 0.000 1.003 256 K CA -0.214 56.068 56.287 -0.008 0.000 0.957 256 K CB 1.415 33.916 32.500 0.001 0.000 0.939 256 K HN 0.549 nan 8.250 nan 0.000 0.482 257 K N 1.740 122.134 120.400 -0.011 0.000 2.113 257 K HA -0.229 4.092 4.320 0.000 0.000 0.208 257 K C 1.559 178.157 176.600 -0.003 0.000 1.047 257 K CA 1.855 58.137 56.287 -0.008 0.000 0.928 257 K CB -0.067 32.430 32.500 -0.004 0.000 0.716 257 K HN 0.705 nan 8.250 nan 0.000 0.446 258 A N 0.823 123.641 122.820 -0.003 0.000 2.208 258 A HA 0.016 4.336 4.320 0.000 0.000 0.209 258 A C -0.281 177.298 177.584 -0.009 0.000 1.161 258 A CA 0.127 52.162 52.037 -0.004 0.000 0.782 258 A CB 0.000 18.999 19.000 -0.002 0.000 0.816 258 A HN 0.254 nan 8.150 nan 0.000 0.477 259 D N 1.696 122.090 120.400 -0.010 0.000 2.383 259 D HA 0.173 4.813 4.640 0.000 0.000 0.252 259 D C -0.047 176.225 176.300 -0.047 0.000 1.166 259 D CA 0.387 54.375 54.000 -0.020 0.000 0.879 259 D CB 0.657 41.457 40.800 0.001 0.000 1.164 259 D HN 0.242 nan 8.370 nan 0.000 0.462 260 K N 3.787 124.135 120.400 -0.087 0.000 2.448 260 K HA 0.129 4.449 4.320 0.000 0.000 0.278 260 K C -2.042 174.414 176.600 -0.240 0.000 1.009 260 K CA -0.983 55.227 56.287 -0.129 0.000 0.995 260 K CB 0.414 32.829 32.500 -0.143 0.000 0.917 260 K HN 0.297 nan 8.250 nan 0.000 0.481 261 P HA 0.140 nan 4.420 nan 0.000 0.278 261 P C -0.881 176.190 177.300 -0.382 0.000 1.258 261 P CA -0.331 62.660 63.100 -0.181 0.000 0.811 261 P CB 0.514 32.189 31.700 -0.041 0.000 1.063 262 F N -0.295 119.677 119.950 0.037 0.000 2.408 262 F HA 0.294 4.821 4.527 0.001 0.000 0.344 262 F C 0.544 176.342 175.800 -0.002 0.000 1.112 262 F CA -0.552 57.480 58.000 0.054 0.000 1.096 262 F CB 1.058 40.129 39.000 0.117 0.000 1.129 262 F HN -0.078 nan 8.300 nan 0.000 0.486 263 V N 5.246 125.220 119.914 0.099 0.000 2.398 263 V HA 0.398 4.518 4.120 0.000 0.000 0.286 263 V C -0.153 175.963 176.094 0.036 0.000 1.026 263 V CA -0.793 61.507 62.300 0.001 0.000 0.868 263 V CB 1.612 33.388 31.823 -0.078 0.000 0.982 263 V HN 0.540 nan 8.190 nan 0.000 0.443 264 L N 5.415 126.647 121.223 0.015 0.000 2.313 264 L HA 0.626 4.966 4.340 0.000 0.000 0.283 264 L C -0.681 176.189 176.870 0.001 0.000 1.013 264 L CA -0.738 54.108 54.840 0.010 0.000 0.816 264 L CB 1.945 44.002 42.059 -0.005 0.000 1.236 264 L HN 0.346 nan 8.230 nan 0.000 0.419 265 V N 2.216 122.150 119.914 0.034 0.000 2.384 265 V HA 0.616 4.737 4.120 0.000 0.000 0.287 265 V C 0.470 176.582 176.094 0.032 0.000 1.020 265 V CA -0.453 61.876 62.300 0.049 0.000 0.850 265 V CB 1.527 33.419 31.823 0.114 0.000 0.987 265 V HN 0.872 nan 8.190 nan 0.000 0.436 266 G N 3.208 112.006 108.800 -0.004 0.000 2.470 266 G HA2 0.492 4.452 3.960 0.000 0.000 0.320 266 G HA3 0.492 4.452 3.960 0.000 0.000 0.320 266 G C -0.638 174.253 174.900 -0.015 0.000 1.245 266 G CA -0.739 44.356 45.100 -0.010 0.000 0.935 266 G HN 0.657 nan 8.290 nan 0.000 0.476 267 K N 1.471 121.868 120.400 -0.004 0.000 2.383 267 K HA 0.318 4.638 4.320 0.000 0.000 0.286 267 K C 0.715 177.305 176.600 -0.017 0.000 1.051 267 K CA -0.062 56.207 56.287 -0.031 0.000 0.974 267 K CB 0.394 32.888 32.500 -0.011 0.000 0.968 267 K HN 0.446 nan 8.250 nan 0.000 0.475 268 G N 6.270 115.052 108.800 -0.031 0.000 4.804 268 G HA2 0.220 4.180 3.960 0.000 0.000 0.310 268 G HA3 0.220 4.180 3.960 0.000 0.000 0.310 268 G C -0.208 174.699 174.900 0.011 0.000 1.389 268 G CA -0.483 44.625 45.100 0.014 0.000 1.106 268 G HN 0.526 nan 8.290 nan 0.000 0.595 269 I N 2.974 123.532 120.570 -0.020 0.000 2.347 269 I HA 0.069 4.240 4.170 0.000 0.000 0.294 269 I C 1.885 177.996 176.117 -0.010 0.000 1.090 269 I CA 0.114 61.399 61.300 -0.026 0.000 1.314 269 I CB 0.314 38.273 38.000 -0.068 0.000 1.423 269 I HN 0.290 nan 8.210 nan 0.000 0.503 270 T N 3.208 117.790 114.554 0.046 0.000 2.951 270 T HA -0.016 4.335 4.350 0.000 0.000 0.268 270 T C 0.307 175.076 174.700 0.115 0.000 1.073 270 T CA 0.666 62.808 62.100 0.070 0.000 1.134 270 T CB 0.066 69.007 68.868 0.122 0.000 0.884 270 T HN 0.285 nan 8.240 nan 0.000 0.479 271 F N 0.857 120.773 119.950 -0.057 0.000 2.615 271 F HA 0.500 5.027 4.527 -0.000 0.000 0.312 271 F C -2.140 173.622 175.800 -0.062 0.000 1.119 271 F CA -1.699 56.249 58.000 -0.085 0.000 0.979 271 F CB 2.144 41.093 39.000 -0.085 0.000 1.266 271 F HN -0.142 nan 8.300 nan 0.000 0.444 272 D N 2.704 122.604 120.400 -0.832 0.000 2.472 272 D HA 0.203 4.843 4.640 0.000 0.000 0.234 272 D C 0.851 176.833 176.300 -0.531 0.000 1.088 272 D CA 0.055 53.767 54.000 -0.479 0.000 0.882 272 D CB 1.299 41.893 40.800 -0.343 0.000 1.037 272 D HN 0.620 nan 8.370 nan 0.000 0.520 273 T N 0.262 114.707 114.554 -0.182 0.000 3.067 273 T HA 0.227 4.578 4.350 0.000 0.000 0.261 273 T C 1.561 176.237 174.700 -0.041 0.000 1.110 273 T CA 0.773 62.864 62.100 -0.015 0.000 1.113 273 T CB 0.144 69.089 68.868 0.127 0.000 0.917 273 T HN 0.519 nan 8.240 nan 0.000 0.499 274 G N 0.670 109.429 108.800 -0.068 0.000 2.258 274 G HA2 0.145 4.105 3.960 0.000 0.000 0.233 274 G HA3 0.145 4.105 3.960 0.000 0.000 0.233 274 G C 1.179 176.063 174.900 -0.027 0.000 1.006 274 G CA 0.369 45.440 45.100 -0.047 0.000 0.620 274 G HN 1.736 nan 8.290 nan 0.000 0.511 275 G N 0.334 109.128 108.800 -0.010 0.000 2.528 275 G HA2 -0.151 3.809 3.960 0.000 0.000 0.262 275 G HA3 -0.151 3.809 3.960 0.000 0.000 0.262 275 G C 0.914 175.814 174.900 0.001 0.000 1.200 275 G CA 0.531 45.630 45.100 -0.003 0.000 0.951 275 G HN 0.978 nan 8.290 nan 0.000 0.566 276 I N 1.477 122.047 120.570 -0.001 0.000 2.264 276 I HA -0.065 4.105 4.170 0.000 0.000 0.248 276 I C 2.207 178.325 176.117 0.001 0.000 1.111 276 I CA 2.027 63.328 61.300 0.002 0.000 1.382 276 I CB -1.344 36.657 38.000 0.003 0.000 1.060 276 I HN 0.337 nan 8.210 nan 0.000 0.418 277 S N 2.451 118.150 115.700 -0.003 0.000 4.069 277 S HA 0.143 4.614 4.470 0.000 0.000 0.192 277 S C 0.270 174.866 174.600 -0.007 0.000 1.441 277 S CA -0.367 57.830 58.200 -0.005 0.000 0.994 277 S CB -0.885 62.309 63.200 -0.010 0.000 1.456 277 S HN 0.124 nan 8.310 nan 0.000 0.458 278 L N 2.742 123.965 121.223 -0.000 0.000 2.490 278 L HA 0.136 4.476 4.340 0.000 0.000 0.274 278 L C 0.488 177.358 176.870 0.001 0.000 1.201 278 L CA 0.574 55.416 54.840 0.003 0.000 0.869 278 L CB 0.350 42.416 42.059 0.011 0.000 1.123 278 L HN 0.267 nan 8.230 nan 0.000 0.484 279 K N 5.048 125.447 120.400 -0.001 0.000 2.219 279 K HA 0.263 4.583 4.320 0.000 0.000 0.258 279 K C -2.111 174.496 176.600 0.011 0.000 1.008 279 K CA -1.387 54.899 56.287 -0.002 0.000 0.928 279 K CB 0.006 32.496 32.500 -0.017 0.000 0.983 279 K HN 0.511 nan 8.250 nan 0.000 0.484 280 P HA -0.000 nan 4.420 nan 0.000 0.272 280 P C 0.508 177.824 177.300 0.027 0.000 1.230 280 P CA -0.212 62.899 63.100 0.017 0.000 0.788 280 P CB 0.557 32.267 31.700 0.016 0.000 0.949 281 G N 0.805 109.621 108.800 0.028 0.000 2.422 281 G HA2 -0.022 3.938 3.960 0.000 0.000 0.218 281 G HA3 -0.022 3.938 3.960 0.000 0.000 0.218 281 G C 0.581 175.504 174.900 0.039 0.000 1.140 281 G CA 0.533 45.654 45.100 0.035 0.000 0.775 281 G HN 0.796 nan 8.290 nan 0.000 0.545 282 A N 0.068 122.907 122.820 0.032 0.000 2.522 282 A HA 0.480 4.800 4.320 0.000 0.000 0.256 282 A C 1.691 179.304 177.584 0.048 0.000 1.086 282 A CA 0.900 52.958 52.037 0.035 0.000 0.763 282 A CB -0.592 18.425 19.000 0.029 0.000 1.024 282 A HN 1.744 nan 8.150 nan 0.000 0.502 283 G N 2.139 110.973 108.800 0.057 0.000 2.162 283 G HA2 -0.335 3.625 3.960 0.000 0.000 0.260 283 G HA3 -0.335 3.625 3.960 0.000 0.000 0.260 283 G C 0.897 175.847 174.900 0.084 0.000 0.976 283 G CA 0.689 45.837 45.100 0.079 0.000 0.655 283 G HN 0.855 nan 8.290 nan 0.000 0.533 284 M N 0.908 120.556 119.600 0.079 0.000 2.279 284 M HA -0.072 4.408 4.480 0.000 0.000 0.264 284 M C 2.426 178.824 176.300 0.164 0.000 1.062 284 M CA 2.488 57.845 55.300 0.096 0.000 1.099 284 M CB -0.287 32.394 32.600 0.135 0.000 1.394 284 M HN 0.440 nan 8.290 nan 0.000 0.426 285 D N -0.137 120.349 120.400 0.143 0.000 2.221 285 D HA -0.244 4.397 4.640 0.000 0.000 0.204 285 D C 1.095 177.413 176.300 0.030 0.000 0.982 285 D CA 1.457 55.530 54.000 0.122 0.000 0.857 285 D CB -0.833 39.982 40.800 0.026 0.000 0.934 285 D HN 0.522 nan 8.370 nan 0.000 0.475 286 E N -0.764 119.438 120.200 0.003 0.000 2.482 286 E HA 0.020 4.371 4.350 0.000 0.000 0.196 286 E C 1.485 177.855 176.600 -0.383 0.000 1.047 286 E CA 0.037 56.356 56.400 -0.135 0.000 0.869 286 E CB -0.054 29.720 29.700 0.123 0.000 0.836 286 E HN 0.264 nan 8.360 nan 0.000 0.520 287 M N 0.837 120.258 119.600 -0.298 0.000 2.686 287 M HA -0.078 4.403 4.480 0.000 0.000 0.246 287 M C 1.788 177.792 176.300 -0.492 0.000 1.096 287 M CA 1.021 56.004 55.300 -0.529 0.000 1.076 287 M CB -0.590 31.503 32.600 -0.843 0.000 1.504 287 M HN 0.079 nan 8.290 nan 0.000 0.524 288 K N -0.560 119.682 120.400 -0.264 0.000 2.362 288 K HA -0.142 4.179 4.320 0.000 0.000 0.200 288 K C 0.733 177.011 176.600 -0.537 0.000 1.046 288 K CA 1.181 57.307 56.287 -0.268 0.000 0.952 288 K CB -0.377 31.900 32.500 -0.372 0.000 0.753 288 K HN 0.216 nan 8.250 nan 0.000 0.466 289 Y N 1.274 121.265 120.300 -0.515 0.000 2.471 289 Y HA 0.063 4.613 4.550 0.000 0.000 0.286 289 Y C 0.988 176.669 175.900 -0.364 0.000 1.188 289 Y CA -0.116 57.635 58.100 -0.582 0.000 1.286 289 Y CB -0.047 37.678 38.460 -1.225 0.000 1.072 289 Y HN 0.160 nan 8.280 nan 0.000 0.517 290 D N 0.306 120.585 120.400 -0.203 0.000 2.363 290 D HA -0.046 4.594 4.640 0.000 0.000 0.226 290 D C 1.135 177.419 176.300 -0.026 0.000 1.020 290 D CA 0.582 54.531 54.000 -0.084 0.000 0.892 290 D CB 0.064 40.773 40.800 -0.151 0.000 0.900 290 D HN 0.316 nan 8.370 nan 0.000 0.531 291 M N -2.504 117.087 119.600 -0.016 0.000 2.405 291 M HA 0.303 4.783 4.480 0.000 0.000 0.292 291 M C 1.253 177.584 176.300 0.051 0.000 1.111 291 M CA -0.337 54.976 55.300 0.022 0.000 0.979 291 M CB -0.701 31.920 32.600 0.035 0.000 1.426 291 M HN -0.175 nan 8.290 nan 0.000 0.509 292 C N 1.287 120.634 119.300 0.078 0.000 2.432 292 C HA 0.094 4.555 4.460 0.000 0.000 0.282 292 C C 2.728 177.756 174.990 0.065 0.000 1.388 292 C CA 1.260 60.336 59.018 0.097 0.000 1.777 292 C CB -1.594 26.249 27.740 0.172 0.000 1.882 292 C HN 0.841 nan 8.230 nan 0.000 0.520 293 G N 0.669 109.502 108.800 0.055 0.000 2.453 293 G HA2 -0.078 3.882 3.960 0.000 0.000 0.215 293 G HA3 -0.078 3.882 3.960 0.000 0.000 0.215 293 G C 1.916 176.824 174.900 0.014 0.000 1.201 293 G CA 1.012 46.129 45.100 0.029 0.000 0.784 293 G HN 0.574 nan 8.290 nan 0.000 0.545 294 A N 1.186 124.016 122.820 0.018 0.000 1.908 294 A HA 0.173 4.493 4.320 0.000 0.000 0.218 294 A C 2.823 180.444 177.584 0.061 0.000 1.181 294 A CA 2.509 54.550 52.037 0.007 0.000 0.627 294 A CB -0.861 18.160 19.000 0.035 0.000 0.818 294 A HN 0.888 nan 8.150 nan 0.000 0.445 295 A N 0.255 123.127 122.820 0.087 0.000 1.902 295 A HA -0.112 4.209 4.320 0.000 0.000 0.217 295 A C 2.512 180.106 177.584 0.017 0.000 1.181 295 A CA 2.421 54.495 52.037 0.062 0.000 0.623 295 A CB -0.976 18.029 19.000 0.008 0.000 0.818 295 A HN 1.082 nan 8.150 nan 0.000 0.443 296 S N -0.623 115.084 115.700 0.012 0.000 2.428 296 S HA -0.068 4.402 4.470 0.000 0.000 0.230 296 S C 1.699 176.298 174.600 -0.002 0.000 1.014 296 S CA 1.247 59.447 58.200 0.001 0.000 0.957 296 S CB -0.647 62.550 63.200 -0.006 0.000 0.784 296 S HN 0.228 nan 8.310 nan 0.000 0.499 297 V N 0.781 120.682 119.914 -0.022 0.000 2.323 297 V HA -0.040 4.080 4.120 0.000 0.000 0.244 297 V C 2.218 178.283 176.094 -0.049 0.000 1.041 297 V CA 1.647 63.912 62.300 -0.060 0.000 1.025 297 V CB -1.039 30.716 31.823 -0.113 0.000 0.656 297 V HN 0.408 nan 8.190 nan 0.000 0.451 298 F N 1.632 121.510 119.950 -0.120 0.000 2.091 298 F HA -0.143 4.384 4.527 0.000 0.000 0.299 298 F C 2.379 178.155 175.800 -0.039 0.000 1.103 298 F CA 1.844 59.748 58.000 -0.161 0.000 1.228 298 F CB -1.197 37.463 39.000 -0.566 0.000 0.984 298 F HN 0.202 nan 8.300 nan 0.000 0.477 299 G N -1.697 107.177 108.800 0.122 0.000 2.408 299 G HA2 -0.180 3.781 3.960 0.000 0.000 0.217 299 G HA3 -0.180 3.781 3.960 0.000 0.000 0.217 299 G C 1.717 176.696 174.900 0.131 0.000 1.150 299 G CA 1.296 46.506 45.100 0.183 0.000 0.776 299 G HN 0.312 nan 8.290 nan 0.000 0.542 300 T N 1.223 115.814 114.554 0.062 0.000 2.708 300 T HA -0.130 4.220 4.350 0.000 0.000 0.266 300 T C 2.246 176.941 174.700 -0.008 0.000 1.037 300 T CA 1.208 63.319 62.100 0.017 0.000 1.146 300 T CB -0.256 68.611 68.868 -0.003 0.000 0.865 300 T HN 0.138 nan 8.240 nan 0.000 0.435 301 L N 1.564 122.788 121.223 0.001 0.000 2.012 301 L HA -0.039 4.301 4.340 0.000 0.000 0.210 301 L C 2.450 179.276 176.870 -0.074 0.000 1.073 301 L CA 1.834 56.638 54.840 -0.059 0.000 0.748 301 L CB -0.594 41.453 42.059 -0.019 0.000 0.891 301 L HN 0.018 nan 8.230 nan 0.000 0.431 302 R N 0.097 120.643 120.500 0.078 0.000 2.091 302 R HA -0.103 4.237 4.340 0.000 0.000 0.238 302 R C 2.146 178.432 176.300 -0.022 0.000 1.136 302 R CA 1.778 57.904 56.100 0.045 0.000 0.959 302 R CB -0.912 29.521 30.300 0.222 0.000 0.856 302 R HN 0.511 nan 8.270 nan 0.000 0.437 303 A N -0.311 122.512 122.820 0.004 0.000 1.902 303 A HA -0.083 4.237 4.320 0.000 0.000 0.217 303 A C 2.340 179.880 177.584 -0.074 0.000 1.181 303 A CA 1.696 53.724 52.037 -0.015 0.000 0.623 303 A CB -0.719 18.282 19.000 0.001 0.000 0.818 303 A HN 0.195 nan 8.150 nan 0.000 0.443 304 V N 0.118 119.948 119.914 -0.140 0.000 2.343 304 V HA -0.269 3.851 4.120 0.000 0.000 0.247 304 V C 2.568 178.471 176.094 -0.318 0.000 1.051 304 V CA 1.997 64.156 62.300 -0.235 0.000 1.036 304 V CB -0.759 30.870 31.823 -0.324 0.000 0.654 304 V HN 0.571 nan 8.190 nan 0.000 0.451 305 L N -0.237 120.766 121.223 -0.366 0.000 2.046 305 L HA -0.217 4.123 4.340 0.000 0.000 0.208 305 L C 2.593 179.412 176.870 -0.084 0.000 1.077 305 L CA 2.026 56.683 54.840 -0.305 0.000 0.747 305 L CB -0.549 41.248 42.059 -0.435 0.000 0.896 305 L HN 0.425 nan 8.230 nan 0.000 0.432 306 E N 0.573 120.741 120.200 -0.053 0.000 2.077 306 E HA -0.211 4.139 4.350 0.000 0.000 0.193 306 E C 2.208 178.829 176.600 0.035 0.000 0.989 306 E CA 1.057 57.468 56.400 0.018 0.000 0.800 306 E CB 0.009 29.723 29.700 0.024 0.000 0.746 306 E HN 0.477 nan 8.360 nan 0.000 0.452 307 L N 0.372 121.606 121.223 0.018 0.000 2.492 307 L HA -0.003 4.337 4.340 0.000 0.000 0.223 307 L C 0.439 177.346 176.870 0.061 0.000 1.132 307 L CA 0.089 54.959 54.840 0.050 0.000 0.850 307 L CB 0.089 42.164 42.059 0.026 0.000 0.966 307 L HN 0.149 nan 8.230 nan 0.000 0.454 308 Q N 0.930 120.766 119.800 0.059 0.000 2.435 308 Q HA -0.196 4.144 4.340 0.000 0.000 0.312 308 Q C -0.211 175.891 176.000 0.170 0.000 1.333 308 Q CA 0.787 56.676 55.803 0.144 0.000 0.883 308 Q CB -1.944 26.877 28.738 0.138 0.000 1.170 308 Q HN 0.484 nan 8.270 nan 0.000 0.443 309 L N 1.390 122.693 121.223 0.134 0.000 2.485 309 L HA 0.058 4.398 4.340 0.000 0.000 0.275 309 L C -1.261 175.738 176.870 0.215 0.000 1.207 309 L CA -1.177 53.739 54.840 0.126 0.000 0.855 309 L CB -0.047 42.039 42.059 0.046 0.000 1.114 309 L HN -0.008 nan 8.230 nan 0.000 0.485 310 P HA 0.130 nan 4.420 nan 0.000 0.214 310 P C -0.750 176.613 177.300 0.105 0.000 1.826 310 P CA -0.056 63.101 63.100 0.096 0.000 0.977 310 P CB 0.060 31.795 31.700 0.059 0.000 1.930 311 V N -1.308 118.707 119.914 0.170 0.000 3.040 311 V HA 0.561 4.681 4.120 0.000 0.000 0.312 311 V C -0.520 175.685 176.094 0.185 0.000 1.115 311 V CA -1.426 61.003 62.300 0.214 0.000 0.998 311 V CB 2.164 34.139 31.823 0.254 0.000 1.042 311 V HN -0.004 nan 8.190 nan 0.000 0.433 312 N N 1.992 120.801 118.700 0.181 0.000 2.419 312 N HA 0.629 5.369 4.740 0.000 0.000 0.264 312 N C -1.163 174.487 175.510 0.233 0.000 1.031 312 N CA -0.421 52.693 53.050 0.106 0.000 0.951 312 N CB 1.616 40.121 38.487 0.031 0.000 1.101 312 N HN 0.701 nan 8.380 nan 0.000 0.488 313 L N 3.683 125.056 121.223 0.250 0.000 2.372 313 L HA 0.495 4.835 4.340 0.000 0.000 0.274 313 L C -1.396 175.530 176.870 0.093 0.000 0.988 313 L CA -0.732 54.247 54.840 0.231 0.000 0.833 313 L CB 1.624 43.844 42.059 0.269 0.000 1.236 313 L HN 0.207 nan 8.230 nan 0.000 0.410 314 V N 4.610 124.502 119.914 -0.037 0.000 2.384 314 V HA 0.424 4.544 4.120 0.000 0.000 0.287 314 V C -0.409 175.584 176.094 -0.167 0.000 1.020 314 V CA -0.465 61.706 62.300 -0.215 0.000 0.850 314 V CB 1.371 32.827 31.823 -0.612 0.000 0.987 314 V HN 0.876 nan 8.190 nan 0.000 0.436 315 C N 6.621 125.840 119.300 -0.135 0.000 2.303 315 C HA 0.671 5.132 4.460 0.000 0.000 0.326 315 C C 0.023 174.943 174.990 -0.116 0.000 1.285 315 C CA -0.816 58.131 59.018 -0.118 0.000 1.675 315 C CB 0.147 27.802 27.740 -0.142 0.000 2.289 315 C HN 0.719 nan 8.230 nan 0.000 0.512 316 L N 4.644 125.823 121.223 -0.073 0.000 2.343 316 L HA 0.538 4.878 4.340 0.000 0.000 0.278 316 L C -0.667 176.182 176.870 -0.036 0.000 0.996 316 L CA -0.270 54.558 54.840 -0.019 0.000 0.831 316 L CB 0.794 42.901 42.059 0.080 0.000 1.232 316 L HN 0.514 nan 8.230 nan 0.000 0.413 317 L N 3.594 124.784 121.223 -0.055 0.000 2.276 317 L HA 0.617 4.957 4.340 0.000 0.000 0.286 317 L C 0.376 177.271 176.870 0.042 0.000 1.024 317 L CA -0.508 54.300 54.840 -0.053 0.000 0.826 317 L CB 1.608 43.588 42.059 -0.132 0.000 1.211 317 L HN 0.658 nan 8.230 nan 0.000 0.422 318 A N 3.486 126.315 122.820 0.014 0.000 2.506 318 A HA 0.519 4.839 4.320 0.000 0.000 0.320 318 A C -0.244 177.314 177.584 -0.042 0.000 1.424 318 A CA -0.328 51.697 52.037 -0.020 0.000 1.044 318 A CB -0.140 18.651 19.000 -0.348 0.000 1.140 318 A HN 0.770 nan 8.150 nan 0.000 0.538 319 C N 2.204 121.630 119.300 0.210 0.000 2.351 319 C HA 0.942 5.402 4.460 0.000 0.000 0.326 319 C C 0.696 175.828 174.990 0.236 0.000 1.272 319 C CA 0.091 59.207 59.018 0.164 0.000 1.650 319 C CB 0.290 28.135 27.740 0.174 0.000 2.257 319 C HN 1.100 nan 8.230 nan 0.000 0.505 320 A N 2.271 125.171 122.820 0.134 0.000 2.586 320 A HA 0.815 5.136 4.320 0.000 0.000 0.290 320 A C -1.597 176.035 177.584 0.081 0.000 1.086 320 A CA -0.479 51.639 52.037 0.135 0.000 0.665 320 A CB 1.154 20.239 19.000 0.142 0.000 1.279 320 A HN 0.801 nan 8.150 nan 0.000 0.423 321 E N 0.660 120.902 120.200 0.070 0.000 2.218 321 E HA 0.399 4.749 4.350 0.000 0.000 0.263 321 E C -1.356 175.273 176.600 0.048 0.000 0.879 321 E CA -0.613 55.832 56.400 0.075 0.000 0.762 321 E CB 1.074 30.831 29.700 0.095 0.000 1.166 321 E HN 0.540 nan 8.360 nan 0.000 0.415 322 N N 5.507 124.228 118.700 0.035 0.000 2.500 322 N HA 0.212 4.952 4.740 0.000 0.000 0.236 322 N C -1.230 174.303 175.510 0.038 0.000 1.022 322 N CA -0.084 52.971 53.050 0.008 0.000 0.935 322 N CB 0.425 38.891 38.487 -0.034 0.000 1.147 322 N HN 0.464 nan 8.380 nan 0.000 0.512 323 M N 3.341 122.960 119.600 0.030 0.000 2.530 323 M HA 0.497 4.977 4.480 0.000 0.000 0.307 323 M C -2.510 173.801 176.300 0.018 0.000 1.161 323 M CA -2.128 53.196 55.300 0.040 0.000 0.903 323 M CB 1.897 34.517 32.600 0.033 0.000 1.711 323 M HN 0.289 nan 8.290 nan 0.000 0.451 324 P HA 0.445 nan 4.420 nan 0.000 0.284 324 P C -0.919 176.383 177.300 0.005 0.000 1.253 324 P CA -0.112 62.994 63.100 0.010 0.000 0.800 324 P CB 1.325 33.033 31.700 0.013 0.000 0.961 325 S N 0.237 115.938 115.700 0.001 0.000 2.656 325 S HA 0.475 4.945 4.470 0.000 0.000 0.265 325 S C 0.946 175.546 174.600 0.000 0.000 1.132 325 S CA -0.187 58.013 58.200 -0.001 0.000 0.819 325 S CB 0.353 63.551 63.200 -0.005 0.000 1.119 325 S HN 0.394 nan 8.310 nan 0.000 0.476 326 G N -0.479 108.322 108.800 0.001 0.000 2.679 326 G HA2 0.371 4.331 3.960 0.000 0.000 0.212 326 G HA3 0.371 4.331 3.960 0.000 0.000 0.212 326 G C 0.850 175.754 174.900 0.005 0.000 1.137 326 G CA 0.464 45.566 45.100 0.003 0.000 0.787 326 G HN 1.422 nan 8.290 nan 0.000 0.534 327 G N -0.572 108.230 108.800 0.004 0.000 3.519 327 G HA2 0.513 4.473 3.960 0.000 0.000 0.269 327 G HA3 0.513 4.473 3.960 0.000 0.000 0.269 327 G C 0.531 175.433 174.900 0.003 0.000 1.028 327 G CA 0.602 45.707 45.100 0.008 0.000 0.809 327 G HN 0.554 nan 8.290 nan 0.000 0.521 328 A N 0.336 123.155 122.820 -0.002 0.000 2.386 328 A HA 0.601 4.921 4.320 0.000 0.000 0.248 328 A C 0.793 178.379 177.584 0.003 0.000 1.082 328 A CA 0.010 52.042 52.037 -0.007 0.000 0.789 328 A CB 0.144 19.141 19.000 -0.006 0.000 1.025 328 A HN 0.133 nan 8.150 nan 0.000 0.490 329 T N 1.834 116.389 114.554 0.001 0.000 2.946 329 T HA 0.222 4.572 4.350 0.000 0.000 0.311 329 T C 0.478 175.185 174.700 0.011 0.000 1.063 329 T CA 0.752 62.861 62.100 0.015 0.000 1.139 329 T CB -0.053 68.825 68.868 0.016 0.000 0.994 329 T HN 0.605 nan 8.240 nan 0.000 0.547 330 R N 3.242 123.751 120.500 0.016 0.000 2.604 330 R HA 0.399 4.740 4.340 0.000 0.000 0.287 330 R C -2.566 173.743 176.300 0.013 0.000 0.970 330 R CA -2.137 53.970 56.100 0.011 0.000 0.946 330 R CB 0.622 30.928 30.300 0.009 0.000 1.127 330 R HN 0.339 nan 8.270 nan 0.000 0.473 331 P HA -0.046 nan 4.420 nan 0.000 0.262 331 P C 0.552 177.863 177.300 0.018 0.000 1.182 331 P CA 1.185 64.295 63.100 0.017 0.000 0.761 331 P CB 0.693 32.402 31.700 0.015 0.000 0.795 332 G N 2.330 111.147 108.800 0.028 0.000 2.213 332 G HA2 -0.190 3.770 3.960 0.000 0.000 0.236 332 G HA3 -0.190 3.770 3.960 0.000 0.000 0.236 332 G C 0.025 174.930 174.900 0.008 0.000 0.991 332 G CA -0.289 44.822 45.100 0.018 0.000 0.629 332 G HN 0.473 nan 8.290 nan 0.000 0.517 333 D N 0.488 120.900 120.400 0.021 0.000 2.423 333 D HA 0.486 5.126 4.640 0.000 0.000 0.238 333 D C 0.813 177.141 176.300 0.047 0.000 1.142 333 D CA 0.474 54.490 54.000 0.027 0.000 0.884 333 D CB 0.780 41.604 40.800 0.040 0.000 1.199 333 D HN 0.388 nan 8.370 nan 0.000 0.438 334 I N 1.493 122.090 120.570 0.046 0.000 2.433 334 I HA 0.306 4.476 4.170 0.000 0.000 0.292 334 I C -0.120 176.043 176.117 0.076 0.000 1.001 334 I CA -1.000 60.342 61.300 0.071 0.000 1.119 334 I CB 1.752 39.790 38.000 0.063 0.000 1.289 334 I HN 0.075 nan 8.210 nan 0.000 0.438 335 V N 1.409 121.383 119.914 0.100 0.000 2.914 335 V HA 0.653 4.774 4.120 0.000 0.000 0.314 335 V C -0.257 175.902 176.094 0.108 0.000 1.084 335 V CA -0.432 61.930 62.300 0.104 0.000 0.963 335 V CB 1.846 33.744 31.823 0.125 0.000 1.025 335 V HN 0.663 nan 8.190 nan 0.000 0.432 336 T N 2.998 117.608 114.554 0.093 0.000 2.749 336 T HA 0.553 4.903 4.350 0.000 0.000 0.287 336 T C 0.411 175.179 174.700 0.113 0.000 0.970 336 T CA 0.177 62.332 62.100 0.092 0.000 0.980 336 T CB 0.886 69.790 68.868 0.060 0.000 0.924 336 T HN 1.233 nan 8.240 nan 0.000 0.456 337 T N 1.204 115.847 114.554 0.147 0.000 2.816 337 T HA 0.300 4.650 4.350 0.000 0.000 0.282 337 T C 1.628 176.418 174.700 0.151 0.000 0.993 337 T CA -0.836 61.371 62.100 0.180 0.000 0.994 337 T CB 0.645 69.691 68.868 0.296 0.000 1.025 337 T HN 0.574 nan 8.240 nan 0.000 0.529 338 M N 1.332 121.028 119.600 0.161 0.000 2.149 338 M HA -0.127 4.353 4.480 0.000 0.000 0.261 338 M C 2.239 178.607 176.300 0.114 0.000 1.064 338 M CA 2.203 57.583 55.300 0.132 0.000 1.102 338 M CB -0.485 32.211 32.600 0.161 0.000 1.369 338 M HN 0.900 nan 8.290 nan 0.000 0.408 339 S N -0.854 114.936 115.700 0.150 0.000 2.474 339 S HA 0.054 4.525 4.470 0.000 0.000 0.235 339 S C 1.609 176.223 174.600 0.024 0.000 0.997 339 S CA 1.022 59.269 58.200 0.079 0.000 0.949 339 S CB -0.567 62.675 63.200 0.070 0.000 0.766 339 S HN 0.822 nan 8.310 nan 0.000 0.517 340 G N 0.192 109.022 108.800 0.050 0.000 2.241 340 G HA2 -0.264 3.696 3.960 0.000 0.000 0.244 340 G HA3 -0.264 3.696 3.960 0.000 0.000 0.244 340 G C -0.058 174.851 174.900 0.016 0.000 0.998 340 G CA 0.104 45.219 45.100 0.024 0.000 0.621 340 G HN 0.623 nan 8.290 nan 0.000 0.519 341 Q N 1.787 121.586 119.800 -0.002 0.000 2.330 341 Q HA 0.439 4.779 4.340 0.000 0.000 0.279 341 Q C 0.806 176.846 176.000 0.067 0.000 1.024 341 Q CA 0.905 56.694 55.803 -0.023 0.000 0.900 341 Q CB 0.585 29.230 28.738 -0.154 0.000 1.221 341 Q HN 0.572 nan 8.270 nan 0.000 0.396 342 T N -1.655 112.932 114.554 0.056 0.000 2.928 342 T HA 0.611 4.961 4.350 0.000 0.000 0.284 342 T C -0.245 174.535 174.700 0.134 0.000 1.008 342 T CA -0.844 61.315 62.100 0.097 0.000 1.057 342 T CB 1.185 70.101 68.868 0.081 0.000 1.018 342 T HN 0.271 nan 8.240 nan 0.000 0.493 343 V N 2.000 122.016 119.914 0.171 0.000 2.577 343 V HA 0.409 4.529 4.120 0.000 0.000 0.303 343 V C -0.099 176.105 176.094 0.184 0.000 1.042 343 V CA -0.907 61.528 62.300 0.225 0.000 0.872 343 V CB 1.610 33.627 31.823 0.324 0.000 0.998 343 V HN 1.061 nan 8.190 nan 0.000 0.423 344 E N 4.671 124.981 120.200 0.184 0.000 2.152 344 E HA 0.380 4.731 4.350 0.000 0.000 0.285 344 E C -0.690 175.990 176.600 0.132 0.000 1.043 344 E CA -0.487 56.006 56.400 0.156 0.000 0.839 344 E CB 0.833 30.645 29.700 0.186 0.000 1.069 344 E HN 0.644 nan 8.360 nan 0.000 0.399 345 I N 7.246 127.873 120.570 0.096 0.000 2.260 345 I HA 0.002 4.173 4.170 0.000 0.000 0.297 345 I C 1.074 177.218 176.117 0.046 0.000 1.143 345 I CA -0.066 61.269 61.300 0.059 0.000 1.271 345 I CB 0.348 38.375 38.000 0.046 0.000 1.461 345 I HN 0.652 nan 8.210 nan 0.000 0.530 346 L N 4.116 125.367 121.223 0.047 0.000 2.217 346 L HA 0.021 4.362 4.340 0.000 0.000 0.211 346 L C 0.953 177.835 176.870 0.020 0.000 1.107 346 L CA 0.892 55.759 54.840 0.044 0.000 0.783 346 L CB -0.224 41.868 42.059 0.055 0.000 0.919 346 L HN 0.619 nan 8.230 nan 0.000 0.442 347 N N -0.890 117.809 118.700 -0.001 0.000 2.454 347 N HA 0.055 4.795 4.740 0.000 0.000 0.291 347 N C 0.520 176.012 175.510 -0.029 0.000 1.079 347 N CA 0.086 53.129 53.050 -0.013 0.000 0.893 347 N CB 1.772 40.248 38.487 -0.019 0.000 1.512 347 N HN -0.075 nan 8.380 nan 0.000 0.497 348 T N -0.870 113.671 114.554 -0.022 0.000 3.118 348 T HA -0.020 4.331 4.350 0.000 0.000 0.260 348 T C 0.855 175.528 174.700 -0.044 0.000 1.139 348 T CA 0.638 62.721 62.100 -0.029 0.000 1.085 348 T CB 0.095 68.953 68.868 -0.016 0.000 0.934 348 T HN 0.329 nan 8.240 nan 0.000 0.518 349 D N 1.522 121.894 120.400 -0.046 0.000 2.340 349 D HA 0.258 4.898 4.640 0.000 0.000 0.220 349 D C 0.998 177.253 176.300 -0.074 0.000 1.039 349 D CA 0.000 53.966 54.000 -0.057 0.000 0.866 349 D CB -0.195 40.578 40.800 -0.045 0.000 0.913 349 D HN 0.535 nan 8.370 nan 0.000 0.523 350 A N 1.134 123.900 122.820 -0.090 0.000 3.215 350 A HA 0.179 4.499 4.320 0.000 0.000 0.269 350 A C 1.308 178.793 177.584 -0.165 0.000 1.517 350 A CA -0.373 51.584 52.037 -0.133 0.000 1.221 350 A CB -0.175 18.728 19.000 -0.160 0.000 1.160 350 A HN 0.167 nan 8.150 nan 0.000 0.620 351 E N 0.511 120.634 120.200 -0.129 0.000 2.307 351 E HA -0.005 4.345 4.350 0.000 0.000 0.195 351 E C 1.526 178.037 176.600 -0.148 0.000 0.975 351 E CA 1.158 57.483 56.400 -0.125 0.000 0.878 351 E CB -0.928 28.717 29.700 -0.093 0.000 0.845 351 E HN 0.376 nan 8.360 nan 0.000 0.488 352 G N 2.944 111.664 108.800 -0.134 0.000 2.440 352 G HA2 -0.352 3.609 3.960 0.000 0.000 0.218 352 G HA3 -0.352 3.609 3.960 0.000 0.000 0.218 352 G C 1.877 176.688 174.900 -0.148 0.000 1.154 352 G CA 1.459 46.483 45.100 -0.128 0.000 0.767 352 G HN 0.454 nan 8.290 nan 0.000 0.552 353 R N 0.256 120.648 120.500 -0.179 0.000 2.189 353 R HA 0.191 4.531 4.340 0.000 0.000 0.218 353 R C 2.216 178.426 176.300 -0.151 0.000 1.074 353 R CA 0.760 56.752 56.100 -0.181 0.000 0.991 353 R CB -0.525 29.553 30.300 -0.370 0.000 0.883 353 R HN 0.393 nan 8.270 nan 0.000 0.457 354 L N 1.585 122.693 121.223 -0.191 0.000 2.044 354 L HA -0.088 4.252 4.340 0.000 0.000 0.205 354 L C 2.711 179.487 176.870 -0.156 0.000 1.075 354 L CA 1.052 55.828 54.840 -0.107 0.000 0.747 354 L CB -0.519 41.494 42.059 -0.076 0.000 0.903 354 L HN 0.134 nan 8.230 nan 0.000 0.435 355 V N -2.401 117.338 119.914 -0.291 0.000 2.548 355 V HA -0.178 3.943 4.120 0.000 0.000 0.249 355 V C 2.209 178.019 176.094 -0.473 0.000 1.055 355 V CA 1.189 63.100 62.300 -0.647 0.000 1.065 355 V CB -0.585 30.619 31.823 -1.033 0.000 0.681 355 V HN 0.325 nan 8.190 nan 0.000 0.462 356 L N 0.940 122.004 121.223 -0.264 0.000 2.056 356 L HA -0.147 4.193 4.340 0.000 0.000 0.207 356 L C 3.074 179.867 176.870 -0.129 0.000 1.078 356 L CA 1.857 56.616 54.840 -0.135 0.000 0.749 356 L CB -0.836 41.193 42.059 -0.049 0.000 0.901 356 L HN 0.705 nan 8.230 nan 0.000 0.433 357 C N -1.400 117.746 119.300 -0.256 0.000 2.425 357 C HA -0.128 4.332 4.460 0.000 0.000 0.277 357 C C 2.236 177.014 174.990 -0.354 0.000 1.280 357 C CA 0.441 59.079 59.018 -0.634 0.000 1.744 357 C CB -0.850 25.968 27.740 -1.536 0.000 1.989 357 C HN 0.472 nan 8.230 nan 0.000 0.491 358 D N 0.822 121.147 120.400 -0.124 0.000 2.183 358 D HA -0.034 4.606 4.640 0.000 0.000 0.203 358 D C 2.360 178.788 176.300 0.214 0.000 0.969 358 D CA 1.811 55.875 54.000 0.107 0.000 0.842 358 D CB -0.372 40.570 40.800 0.237 0.000 0.957 358 D HN 0.580 nan 8.370 nan 0.000 0.484 359 T N 0.896 115.559 114.554 0.181 0.000 2.904 359 T HA 0.008 4.358 4.350 0.000 0.000 0.267 359 T C 2.224 177.091 174.700 0.279 0.000 1.059 359 T CA 0.291 62.538 62.100 0.245 0.000 1.137 359 T CB -0.022 68.938 68.868 0.154 0.000 0.879 359 T HN 0.113 nan 8.240 nan 0.000 0.467 360 L N 0.889 122.234 121.223 0.204 0.000 2.083 360 L HA -0.120 4.220 4.340 0.000 0.000 0.209 360 L C 2.869 179.939 176.870 0.333 0.000 1.083 360 L CA 1.166 56.174 54.840 0.279 0.000 0.752 360 L CB -1.007 41.159 42.059 0.178 0.000 0.899 360 L HN 0.278 nan 8.230 nan 0.000 0.433 361 T N -1.512 113.201 114.554 0.266 0.000 2.777 361 T HA -0.250 4.100 4.350 0.000 0.000 0.266 361 T C 1.695 176.544 174.700 0.249 0.000 1.040 361 T CA 1.245 63.487 62.100 0.236 0.000 1.141 361 T CB -0.390 68.610 68.868 0.220 0.000 0.868 361 T HN 0.293 nan 8.240 nan 0.000 0.444 362 Y N 2.070 122.478 120.300 0.180 0.000 2.207 362 Y HA -0.102 4.449 4.550 0.001 0.000 0.287 362 Y C 2.474 178.504 175.900 0.216 0.000 1.156 362 Y CA 0.943 59.145 58.100 0.168 0.000 1.182 362 Y CB -0.505 38.071 38.460 0.194 0.000 0.979 362 Y HN 0.201 nan 8.280 nan 0.000 0.521 363 A N -0.004 123.057 122.820 0.402 0.000 2.121 363 A HA -0.163 4.158 4.320 0.000 0.000 0.218 363 A C 1.955 179.729 177.584 0.317 0.000 1.154 363 A CA 1.497 53.792 52.037 0.431 0.000 0.679 363 A CB -0.629 18.538 19.000 0.280 0.000 0.795 363 A HN 0.663 nan 8.150 nan 0.000 0.458 364 E N 0.018 120.382 120.200 0.273 0.000 2.204 364 E HA -0.240 4.110 4.350 0.000 0.000 0.195 364 E C 2.119 178.725 176.600 0.011 0.000 0.990 364 E CA 1.221 57.760 56.400 0.232 0.000 0.821 364 E CB -0.247 29.530 29.700 0.128 0.000 0.750 364 E HN 0.832 nan 8.360 nan 0.000 0.477 365 R N 0.469 120.825 120.500 -0.239 0.000 2.193 365 R HA -0.117 4.223 4.340 0.000 0.000 0.229 365 R C 1.277 177.292 176.300 -0.475 0.000 1.110 365 R CA 1.204 57.032 56.100 -0.452 0.000 0.988 365 R CB -0.394 29.468 30.300 -0.731 0.000 0.871 365 R HN 0.129 nan 8.270 nan 0.000 0.458 366 F N 1.313 121.234 119.950 -0.048 0.000 2.789 366 F HA 0.266 4.793 4.527 0.001 0.000 0.300 366 F C 0.250 176.033 175.800 -0.029 0.000 1.132 366 F CA -0.033 57.947 58.000 -0.035 0.000 1.404 366 F CB 0.045 39.030 39.000 -0.026 0.000 1.114 366 F HN -0.117 nan 8.300 nan 0.000 0.584 367 K N 0.203 120.663 120.400 0.100 0.000 3.419 367 K HA -0.179 4.141 4.320 0.000 0.000 0.272 367 K C -2.664 173.971 176.600 0.058 0.000 0.973 367 K CA -0.056 56.275 56.287 0.074 0.000 0.749 367 K CB -1.653 30.866 32.500 0.031 0.000 1.403 367 K HN 0.211 nan 8.250 nan 0.000 0.456 368 P HA -0.050 nan 4.420 nan 0.000 0.276 368 P C 0.179 177.441 177.300 -0.062 0.000 1.244 368 P CA -0.211 62.864 63.100 -0.042 0.000 0.801 368 P CB 0.779 32.417 31.700 -0.104 0.000 1.006 369 Q N 0.572 120.264 119.800 -0.181 0.000 2.408 369 Q HA 0.381 4.721 4.340 0.000 0.000 0.205 369 Q C 0.033 176.007 176.000 -0.043 0.000 0.919 369 Q CA 0.051 55.766 55.803 -0.146 0.000 0.932 369 Q CB 0.299 28.873 28.738 -0.274 0.000 1.058 369 Q HN 0.435 nan 8.270 nan 0.000 0.517 370 A N 0.327 123.123 122.820 -0.041 0.000 2.577 370 A HA 0.591 4.911 4.320 0.000 0.000 0.297 370 A C -1.508 176.100 177.584 0.040 0.000 1.060 370 A CA -0.631 51.475 52.037 0.115 0.000 0.697 370 A CB 2.131 21.341 19.000 0.350 0.000 1.281 370 A HN 0.052 nan 8.150 nan 0.000 0.402 371 V N 2.716 122.642 119.914 0.019 0.000 2.531 371 V HA 0.558 4.678 4.120 0.000 0.000 0.301 371 V C -0.657 175.498 176.094 0.102 0.000 1.034 371 V CA -0.184 62.104 62.300 -0.020 0.000 0.865 371 V CB 1.470 33.103 31.823 -0.316 0.000 0.995 371 V HN 0.720 nan 8.190 nan 0.000 0.424 372 I N 4.662 125.261 120.570 0.047 0.000 2.447 372 I HA 0.446 4.617 4.170 0.000 0.000 0.287 372 I C -1.064 175.079 176.117 0.043 0.000 1.023 372 I CA -0.591 60.681 61.300 -0.045 0.000 1.083 372 I CB 2.193 40.103 38.000 -0.150 0.000 1.245 372 I HN 0.717 nan 8.210 nan 0.000 0.434 373 D N 7.270 127.729 120.400 0.099 0.000 2.193 373 D HA 0.610 5.250 4.640 0.000 0.000 0.244 373 D C -0.740 175.624 176.300 0.106 0.000 1.064 373 D CA -0.328 53.778 54.000 0.178 0.000 0.845 373 D CB 1.842 42.866 40.800 0.373 0.000 1.148 373 D HN 0.198 nan 8.370 nan 0.000 0.464 374 I N 1.150 121.762 120.570 0.069 0.000 2.466 374 I HA 0.699 4.869 4.170 0.000 0.000 0.289 374 I C -0.461 175.684 176.117 0.045 0.000 1.026 374 I CA -0.539 60.768 61.300 0.012 0.000 1.078 374 I CB 1.955 39.941 38.000 -0.022 0.000 1.249 374 I HN 0.715 nan 8.210 nan 0.000 0.429 375 A N 2.620 125.464 122.820 0.041 0.000 2.566 375 A HA 0.661 4.981 4.320 0.000 0.000 0.297 375 A C -0.341 177.279 177.584 0.059 0.000 1.059 375 A CA -0.689 51.392 52.037 0.073 0.000 0.691 375 A CB 1.182 20.267 19.000 0.142 0.000 1.282 375 A HN 0.665 nan 8.150 nan 0.000 0.401 376 T N 1.191 115.794 114.554 0.080 0.000 3.781 376 T HA 0.338 4.689 4.350 0.000 0.000 0.286 376 T C 0.649 175.399 174.700 0.082 0.000 1.277 376 T CA -0.021 62.145 62.100 0.111 0.000 1.136 376 T CB -0.244 68.771 68.868 0.244 0.000 1.202 376 T HN 0.560 nan 8.240 nan 0.000 0.884 377 L N 2.593 123.853 121.223 0.062 0.000 2.253 377 L HA 0.327 4.668 4.340 0.000 0.000 0.205 377 L C 1.045 177.933 176.870 0.031 0.000 1.078 377 L CA 1.025 55.903 54.840 0.063 0.000 0.805 377 L CB 0.273 42.420 42.059 0.148 0.000 0.963 377 L HN 0.825 nan 8.230 nan 0.000 0.459 378 T N -4.846 109.719 114.554 0.018 0.000 2.921 378 T HA 0.486 4.837 4.350 0.000 0.000 0.297 378 T C 0.942 175.628 174.700 -0.022 0.000 1.013 378 T CA -0.324 61.775 62.100 -0.001 0.000 0.990 378 T CB 1.325 70.195 68.868 0.003 0.000 1.023 378 T HN 0.085 nan 8.240 nan 0.000 0.447 379 G N 1.445 110.233 108.800 -0.020 0.000 2.442 379 G HA2 -0.058 3.902 3.960 0.000 0.000 0.219 379 G HA3 -0.058 3.902 3.960 0.000 0.000 0.219 379 G C 1.651 176.524 174.900 -0.045 0.000 1.141 379 G CA 0.817 45.897 45.100 -0.034 0.000 0.763 379 G HN 1.220 nan 8.290 nan 0.000 0.554 380 A N -0.266 122.535 122.820 -0.033 0.000 2.024 380 A HA -0.134 4.186 4.320 0.000 0.000 0.220 380 A C 2.525 180.080 177.584 -0.048 0.000 1.164 380 A CA 1.750 53.766 52.037 -0.034 0.000 0.643 380 A CB -1.082 17.904 19.000 -0.023 0.000 0.806 380 A HN 0.490 nan 8.150 nan 0.000 0.451 381 C N -0.528 118.739 119.300 -0.055 0.000 2.435 381 C HA -0.014 4.446 4.460 0.000 0.000 0.279 381 C C 2.524 177.456 174.990 -0.097 0.000 1.321 381 C CA 0.941 59.916 59.018 -0.072 0.000 1.752 381 C CB -1.358 26.335 27.740 -0.077 0.000 1.959 381 C HN 0.617 nan 8.230 nan 0.000 0.500 382 I N 0.063 120.566 120.570 -0.112 0.000 2.353 382 I HA -0.113 4.058 4.170 0.000 0.000 0.248 382 I C 2.406 178.458 176.117 -0.108 0.000 1.119 382 I CA 1.091 62.308 61.300 -0.138 0.000 1.417 382 I CB -0.575 37.328 38.000 -0.163 0.000 1.078 382 I HN 0.123 nan 8.210 nan 0.000 0.421 383 V N 1.302 121.167 119.914 -0.081 0.000 2.343 383 V HA -0.271 3.849 4.120 0.000 0.000 0.247 383 V C 2.727 178.782 176.094 -0.065 0.000 1.051 383 V CA 2.099 64.360 62.300 -0.064 0.000 1.036 383 V CB -0.915 30.881 31.823 -0.045 0.000 0.654 383 V HN 0.494 nan 8.190 nan 0.000 0.451 384 A N -0.998 121.783 122.820 -0.066 0.000 1.898 384 A HA 0.067 4.387 4.320 0.000 0.000 0.214 384 A C 1.990 179.521 177.584 -0.088 0.000 1.183 384 A CA 1.448 53.446 52.037 -0.065 0.000 0.622 384 A CB -0.151 18.818 19.000 -0.051 0.000 0.824 384 A HN 0.497 nan 8.150 nan 0.000 0.444 385 L N -2.318 118.847 121.223 -0.097 0.000 3.086 385 L HA 0.364 4.705 4.340 0.000 0.000 0.274 385 L C 1.280 178.079 176.870 -0.118 0.000 1.184 385 L CA 0.155 54.928 54.840 -0.112 0.000 1.002 385 L CB 0.330 42.337 42.059 -0.086 0.000 1.383 385 L HN 0.626 nan 8.230 nan 0.000 0.582 386 G N 1.435 110.155 108.800 -0.133 0.000 2.564 386 G HA2 -0.388 3.572 3.960 0.000 0.000 0.273 386 G HA3 -0.388 3.572 3.960 0.000 0.000 0.273 386 G C 0.707 175.453 174.900 -0.258 0.000 1.242 386 G CA 0.378 45.374 45.100 -0.173 0.000 0.951 386 G HN 0.385 nan 8.290 nan 0.000 0.564 387 S N -1.164 114.295 115.700 -0.400 0.000 2.575 387 S HA 0.188 4.658 4.470 0.000 0.000 0.215 387 S C 1.402 175.675 174.600 -0.543 0.000 0.966 387 S CA 1.181 59.069 58.200 -0.520 0.000 0.911 387 S CB -0.040 62.798 63.200 -0.604 0.000 0.780 387 S HN 0.719 nan 8.310 nan 0.000 0.514 388 H N 1.040 120.034 119.070 -0.127 0.000 2.639 388 H HA 0.318 4.874 4.556 0.000 0.000 0.267 388 H C -0.153 175.123 175.328 -0.087 0.000 0.958 388 H CA 0.697 56.683 56.048 -0.103 0.000 1.221 388 H CB 0.562 30.265 29.762 -0.097 0.000 1.446 388 H HN 0.366 nan 8.280 nan 0.000 0.512 389 T N 1.105 115.651 114.554 -0.012 0.000 2.991 389 T HA 0.233 4.583 4.350 0.000 0.000 0.303 389 T C -0.033 174.648 174.700 -0.032 0.000 1.015 389 T CA -0.603 61.499 62.100 0.003 0.000 1.007 389 T CB 2.641 71.516 68.868 0.012 0.000 1.034 389 T HN -0.087 nan 8.240 nan 0.000 0.446 390 T N 2.601 117.136 114.554 -0.031 0.000 2.907 390 T HA 0.469 4.820 4.350 0.000 0.000 0.298 390 T C 0.990 175.660 174.700 -0.049 0.000 1.017 390 T CA -0.354 61.705 62.100 -0.068 0.000 1.118 390 T CB 0.680 69.498 68.868 -0.083 0.000 0.948 390 T HN 0.746 nan 8.240 nan 0.000 0.531 391 G N 1.722 110.468 108.800 -0.091 0.000 2.390 391 G HA2 0.505 4.465 3.960 0.000 0.000 0.270 391 G HA3 0.505 4.465 3.960 0.000 0.000 0.270 391 G C -1.045 173.756 174.900 -0.164 0.000 1.211 391 G CA -0.337 44.713 45.100 -0.084 0.000 0.842 391 G HN 0.588 nan 8.290 nan 0.000 0.519 392 L N 2.290 123.429 121.223 -0.139 0.000 2.410 392 L HA 0.829 5.169 4.340 0.000 0.000 0.270 392 L C -0.452 176.303 176.870 -0.191 0.000 0.983 392 L CA -0.664 54.051 54.840 -0.208 0.000 0.822 392 L CB 1.924 43.872 42.059 -0.185 0.000 1.285 392 L HN 0.577 nan 8.230 nan 0.000 0.409 393 M N 3.277 122.743 119.600 -0.222 0.000 2.658 393 M HA 0.939 5.419 4.480 0.000 0.000 0.295 393 M C -0.097 175.997 176.300 -0.344 0.000 1.248 393 M CA -0.332 54.859 55.300 -0.181 0.000 0.843 393 M CB 2.575 35.158 32.600 -0.029 0.000 1.749 393 M HN 0.743 nan 8.290 nan 0.000 0.464 394 G N 0.378 109.027 108.800 -0.252 0.000 2.441 394 G HA2 0.327 4.287 3.960 0.000 0.000 0.294 394 G HA3 0.327 4.287 3.960 0.000 0.000 0.294 394 G C -1.378 173.558 174.900 0.060 0.000 1.393 394 G CA -0.629 44.267 45.100 -0.340 0.000 0.796 394 G HN 0.779 nan 8.290 nan 0.000 0.494 395 N N -0.698 118.149 118.700 0.246 0.000 2.204 395 N HA 0.183 4.923 4.740 0.000 0.000 0.219 395 N C -0.159 175.462 175.510 0.185 0.000 1.151 395 N CA -0.434 52.793 53.050 0.295 0.000 0.867 395 N CB 0.727 39.466 38.487 0.419 0.000 1.043 395 N HN 0.379 nan 8.380 nan 0.000 0.516 396 N N 0.309 119.082 118.700 0.123 0.000 2.519 396 N HA 0.093 4.834 4.740 0.000 0.000 0.291 396 N C -0.791 174.745 175.510 0.044 0.000 1.107 396 N CA -0.298 52.808 53.050 0.093 0.000 0.904 396 N CB 1.977 40.535 38.487 0.119 0.000 1.500 396 N HN -0.012 nan 8.380 nan 0.000 0.510 397 D N 1.907 122.332 120.400 0.041 0.000 2.224 397 D HA -0.041 4.599 4.640 0.000 0.000 0.205 397 D C 0.646 176.952 176.300 0.011 0.000 0.965 397 D CA 1.195 55.203 54.000 0.014 0.000 0.852 397 D CB 0.512 41.324 40.800 0.020 0.000 0.947 397 D HN 0.491 nan 8.370 nan 0.000 0.494 398 D N -0.035 120.385 120.400 0.035 0.000 2.117 398 D HA -0.136 4.505 4.640 0.000 0.000 0.198 398 D C 2.096 178.430 176.300 0.057 0.000 0.982 398 D CA 0.479 54.506 54.000 0.045 0.000 0.828 398 D CB -0.299 40.537 40.800 0.060 0.000 0.967 398 D HN 0.251 nan 8.370 nan 0.000 0.464 399 L N 1.049 122.310 121.223 0.064 0.000 2.017 399 L HA -0.138 4.202 4.340 0.000 0.000 0.208 399 L C 2.283 179.139 176.870 -0.025 0.000 1.073 399 L CA 1.346 56.223 54.840 0.061 0.000 0.745 399 L CB -0.612 41.478 42.059 0.053 0.000 0.894 399 L HN -0.154 nan 8.230 nan 0.000 0.432 400 V N 0.296 120.174 119.914 -0.060 0.000 2.332 400 V HA -0.255 3.866 4.120 0.000 0.000 0.248 400 V C 2.617 178.657 176.094 -0.091 0.000 1.055 400 V CA 1.888 64.122 62.300 -0.111 0.000 1.038 400 V CB -1.631 30.121 31.823 -0.119 0.000 0.651 400 V HN 0.657 nan 8.190 nan 0.000 0.450 401 G N -1.431 107.337 108.800 -0.053 0.000 2.422 401 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 401 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 401 G C 1.491 176.386 174.900 -0.008 0.000 1.146 401 G CA 0.743 45.816 45.100 -0.044 0.000 0.769 401 G HN 0.541 nan 8.290 nan 0.000 0.547 402 Q N -0.343 119.482 119.800 0.040 0.000 2.084 402 Q HA 0.020 4.360 4.340 0.000 0.000 0.202 402 Q C 2.642 178.709 176.000 0.112 0.000 0.978 402 Q CA 0.943 56.815 55.803 0.114 0.000 0.844 402 Q CB -0.231 28.656 28.738 0.248 0.000 0.898 402 Q HN 0.449 nan 8.270 nan 0.000 0.426 403 L N 0.096 121.321 121.223 0.004 0.000 2.056 403 L HA -0.193 4.147 4.340 0.000 0.000 0.207 403 L C 2.258 179.097 176.870 -0.052 0.000 1.078 403 L CA 0.835 55.626 54.840 -0.080 0.000 0.749 403 L CB -0.379 41.545 42.059 -0.225 0.000 0.901 403 L HN 0.242 nan 8.230 nan 0.000 0.433 404 L N -0.356 120.826 121.223 -0.068 0.000 2.012 404 L HA -0.269 4.072 4.340 0.000 0.000 0.210 404 L C 2.232 179.090 176.870 -0.022 0.000 1.073 404 L CA 1.560 56.361 54.840 -0.065 0.000 0.748 404 L CB -0.566 41.422 42.059 -0.119 0.000 0.891 404 L HN 0.276 nan 8.230 nan 0.000 0.431 405 D N -0.231 120.166 120.400 -0.006 0.000 2.117 405 D HA -0.167 4.474 4.640 0.000 0.000 0.197 405 D C 2.169 178.490 176.300 0.034 0.000 0.987 405 D CA 1.281 55.290 54.000 0.015 0.000 0.829 405 D CB 0.100 40.912 40.800 0.020 0.000 0.961 405 D HN 0.265 nan 8.370 nan 0.000 0.460 406 A N 0.035 122.885 122.820 0.050 0.000 1.908 406 A HA -0.049 4.271 4.320 0.000 0.000 0.218 406 A C 2.373 179.981 177.584 0.041 0.000 1.181 406 A CA 2.105 54.179 52.037 0.061 0.000 0.627 406 A CB -1.356 17.707 19.000 0.105 0.000 0.818 406 A HN 0.366 nan 8.150 nan 0.000 0.445 407 G N -0.523 108.291 108.800 0.024 0.000 2.422 407 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 407 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 407 G C 1.689 176.608 174.900 0.032 0.000 1.146 407 G CA 1.117 46.229 45.100 0.019 0.000 0.769 407 G HN 0.590 nan 8.290 nan 0.000 0.547 408 K N -0.018 120.404 120.400 0.036 0.000 2.025 408 K HA 0.017 4.337 4.320 0.000 0.000 0.207 408 K C 2.705 179.332 176.600 0.044 0.000 1.049 408 K CA 0.832 57.145 56.287 0.043 0.000 0.933 408 K CB -0.153 32.372 32.500 0.041 0.000 0.714 408 K HN 0.116 nan 8.250 nan 0.000 0.438 409 R N 0.237 120.767 120.500 0.049 0.000 2.148 409 R HA -0.033 4.307 4.340 0.000 0.000 0.227 409 R C 2.033 178.370 176.300 0.062 0.000 1.103 409 R CA 1.100 57.238 56.100 0.065 0.000 0.983 409 R CB -0.108 30.242 30.300 0.084 0.000 0.874 409 R HN 0.162 nan 8.270 nan 0.000 0.451 410 A N 0.798 123.648 122.820 0.050 0.000 2.218 410 A HA -0.048 4.272 4.320 0.000 0.000 0.209 410 A C 0.273 177.875 177.584 0.030 0.000 1.168 410 A CA 0.394 52.454 52.037 0.039 0.000 0.804 410 A CB 0.095 19.114 19.000 0.032 0.000 0.834 410 A HN 0.358 nan 8.150 nan 0.000 0.482 411 D N -0.638 119.781 120.400 0.033 0.000 2.697 411 D HA -0.173 4.467 4.640 0.000 0.000 0.238 411 D C -0.569 175.743 176.300 0.019 0.000 1.152 411 D CA 1.278 55.295 54.000 0.029 0.000 0.666 411 D CB -1.194 39.625 40.800 0.032 0.000 1.037 411 D HN 0.423 nan 8.370 nan 0.000 0.423 412 D N 0.306 120.717 120.400 0.018 0.000 2.621 412 D HA 0.223 4.863 4.640 0.000 0.000 0.274 412 D C -0.235 176.071 176.300 0.010 0.000 1.215 412 D CA -0.444 53.560 54.000 0.007 0.000 0.810 412 D CB 0.150 40.948 40.800 -0.002 0.000 1.248 412 D HN 0.240 nan 8.370 nan 0.000 0.517 413 R N 0.568 121.084 120.500 0.026 0.000 2.582 413 R HA 0.745 5.085 4.340 0.000 0.000 0.271 413 R C 0.039 176.367 176.300 0.046 0.000 1.078 413 R CA -0.333 55.796 56.100 0.048 0.000 1.127 413 R CB 1.410 31.759 30.300 0.081 0.000 1.038 413 R HN 0.300 nan 8.270 nan 0.000 0.500 414 A N 1.984 124.839 122.820 0.059 0.000 2.387 414 A HA 0.665 4.985 4.320 0.000 0.000 0.298 414 A C -1.798 175.892 177.584 0.177 0.000 1.165 414 A CA -0.591 51.481 52.037 0.058 0.000 0.814 414 A CB 1.703 20.684 19.000 -0.031 0.000 1.357 414 A HN 0.739 nan 8.150 nan 0.000 0.443 415 W N 0.887 122.135 121.300 -0.087 0.000 3.439 415 W HA 0.339 5.000 4.660 0.001 0.000 0.323 415 W C -1.161 175.302 176.519 -0.093 0.000 1.174 415 W CA -0.179 57.121 57.345 -0.075 0.000 1.224 415 W CB 1.465 30.887 29.460 -0.064 0.000 1.348 415 W HN 0.946 nan 8.180 nan 0.000 0.498 416 Q N 3.932 123.454 119.800 -0.464 0.000 2.327 416 Q HA 0.434 4.774 4.340 0.000 0.000 0.254 416 Q C -1.084 174.830 176.000 -0.144 0.000 0.952 416 Q CA 0.224 55.853 55.803 -0.290 0.000 0.884 416 Q CB 1.058 29.590 28.738 -0.342 0.000 1.224 416 Q HN 0.559 nan 8.270 nan 0.000 0.422 417 L N 5.425 126.587 121.223 -0.102 0.000 2.354 417 L HA 0.619 4.959 4.340 0.000 0.000 0.269 417 L C -2.190 174.561 176.870 -0.199 0.000 1.005 417 L CA -2.334 52.444 54.840 -0.104 0.000 0.819 417 L CB 2.076 44.086 42.059 -0.082 0.000 1.311 417 L HN 0.663 nan 8.230 nan 0.000 0.423 418 P HA 0.206 nan 4.420 nan 0.000 0.284 418 P C -0.653 176.404 177.300 -0.405 0.000 1.253 418 P CA -0.323 62.463 63.100 -0.524 0.000 0.800 418 P CB 1.234 32.189 31.700 -1.241 0.000 0.961 419 L N 2.784 123.901 121.223 -0.177 0.000 3.084 419 L HA 0.275 4.615 4.340 0.000 0.000 0.238 419 L C 0.231 177.261 176.870 0.267 0.000 1.327 419 L CA -0.734 54.133 54.840 0.045 0.000 1.094 419 L CB -0.717 41.424 42.059 0.136 0.000 1.477 419 L HN 0.178 nan 8.230 nan 0.000 0.514 420 F N 0.451 120.608 119.950 0.345 0.000 2.628 420 F HA -0.105 4.423 4.527 0.001 0.000 0.362 420 F C 1.687 177.625 175.800 0.229 0.000 1.148 420 F CA -0.097 58.065 58.000 0.270 0.000 1.352 420 F CB 0.170 39.307 39.000 0.228 0.000 1.081 420 F HN 0.190 nan 8.300 nan 0.000 0.605 421 D N 0.908 121.490 120.400 0.304 0.000 2.218 421 D HA -0.164 4.476 4.640 0.000 0.000 0.204 421 D C 1.625 177.994 176.300 0.115 0.000 0.976 421 D CA 1.314 55.415 54.000 0.169 0.000 0.853 421 D CB 0.186 41.038 40.800 0.086 0.000 0.939 421 D HN 0.564 nan 8.370 nan 0.000 0.481 422 E N -0.938 119.289 120.200 0.045 0.000 2.209 422 E HA -0.189 4.162 4.350 0.000 0.000 0.196 422 E C 1.380 177.929 176.600 -0.085 0.000 0.993 422 E CA 0.914 57.263 56.400 -0.085 0.000 0.819 422 E CB -0.291 29.276 29.700 -0.221 0.000 0.745 422 E HN 0.570 nan 8.360 nan 0.000 0.477 423 Y N 0.561 120.937 120.300 0.127 0.000 2.395 423 Y HA -0.073 4.477 4.550 0.000 0.000 0.293 423 Y C 2.173 178.124 175.900 0.086 0.000 1.123 423 Y CA 0.600 58.761 58.100 0.102 0.000 1.227 423 Y CB -0.024 38.499 38.460 0.105 0.000 1.012 423 Y HN -0.016 nan 8.280 nan 0.000 0.552 424 Q N 0.565 120.495 119.800 0.217 0.000 2.077 424 Q HA -0.259 4.081 4.340 0.000 0.000 0.206 424 Q C 2.161 178.224 176.000 0.106 0.000 0.989 424 Q CA 1.548 57.437 55.803 0.143 0.000 0.853 424 Q CB -0.518 28.276 28.738 0.095 0.000 0.907 424 Q HN 0.513 nan 8.270 nan 0.000 0.418 425 E N 1.175 121.421 120.200 0.078 0.000 2.219 425 E HA -0.215 4.136 4.350 0.000 0.000 0.198 425 E C 1.631 178.270 176.600 0.065 0.000 0.998 425 E CA 1.009 57.440 56.400 0.052 0.000 0.818 425 E CB 0.071 29.787 29.700 0.028 0.000 0.741 425 E HN 0.500 nan 8.360 nan 0.000 0.477 426 Q N -0.320 119.537 119.800 0.096 0.000 2.297 426 Q HA -0.089 4.252 4.340 0.000 0.000 0.208 426 Q C 2.133 178.193 176.000 0.099 0.000 0.981 426 Q CA 0.851 56.714 55.803 0.099 0.000 0.876 426 Q CB -0.007 28.811 28.738 0.135 0.000 0.921 426 Q HN 0.349 nan 8.270 nan 0.000 0.446 427 L N 0.507 121.799 121.223 0.114 0.000 2.591 427 L HA 0.043 4.383 4.340 0.000 0.000 0.228 427 L C -0.006 176.924 176.870 0.100 0.000 1.133 427 L CA -0.354 54.566 54.840 0.134 0.000 0.880 427 L CB 0.036 42.204 42.059 0.181 0.000 1.033 427 L HN 0.038 nan 8.230 nan 0.000 0.450 428 D N 0.657 121.095 120.400 0.063 0.000 2.443 428 D HA 0.059 4.699 4.640 0.000 0.000 0.239 428 D C 0.215 176.530 176.300 0.025 0.000 1.136 428 D CA 0.497 54.516 54.000 0.033 0.000 0.879 428 D CB 1.195 41.999 40.800 0.008 0.000 1.195 428 D HN -0.092 nan 8.370 nan 0.000 0.443 429 S N 1.344 117.050 115.700 0.010 0.000 2.500 429 S HA 0.473 4.943 4.470 0.000 0.000 0.301 429 S C -1.979 172.546 174.600 -0.125 0.000 1.092 429 S CA -1.464 56.729 58.200 -0.012 0.000 1.030 429 S CB 1.620 64.866 63.200 0.078 0.000 1.031 429 S HN 0.097 nan 8.310 nan 0.000 0.483 430 P HA 0.095 nan 4.420 nan 0.000 0.226 430 P C 0.359 177.319 177.300 -0.567 0.000 1.153 430 P CA 0.888 63.660 63.100 -0.547 0.000 0.777 430 P CB -0.030 31.117 31.700 -0.921 0.000 0.794 431 F N -0.610 119.356 119.950 0.027 0.000 2.557 431 F HA 0.421 4.948 4.527 0.000 0.000 0.278 431 F C 1.598 177.415 175.800 0.027 0.000 1.051 431 F CA -0.167 57.849 58.000 0.026 0.000 1.357 431 F CB -0.894 38.124 39.000 0.029 0.000 1.104 431 F HN -0.180 nan 8.300 nan 0.000 0.654 432 A N -0.151 122.787 122.820 0.198 0.000 2.312 432 A HA 0.440 4.761 4.320 0.000 0.000 0.310 432 A C 0.554 178.185 177.584 0.078 0.000 1.139 432 A CA -0.358 51.761 52.037 0.138 0.000 0.886 432 A CB 0.212 19.305 19.000 0.156 0.000 1.350 432 A HN 0.084 nan 8.150 nan 0.000 0.479 433 D N -0.194 120.240 120.400 0.057 0.000 2.218 433 D HA -0.006 4.634 4.640 0.000 0.000 0.204 433 D C 0.673 176.983 176.300 0.017 0.000 0.976 433 D CA 2.066 56.073 54.000 0.013 0.000 0.853 433 D CB -0.162 40.625 40.800 -0.022 0.000 0.939 433 D HN 0.620 nan 8.370 nan 0.000 0.481 434 M N -2.668 116.974 119.600 0.071 0.000 2.643 434 M HA 0.563 5.044 4.480 0.000 0.000 0.276 434 M C -0.555 175.857 176.300 0.186 0.000 1.200 434 M CA -0.983 54.382 55.300 0.108 0.000 0.863 434 M CB 1.953 34.606 32.600 0.088 0.000 1.711 434 M HN -0.188 nan 8.290 nan 0.000 0.492 435 G N 0.593 109.512 108.800 0.198 0.000 2.488 435 G HA2 0.438 4.398 3.960 0.000 0.000 0.318 435 G HA3 0.438 4.398 3.960 0.000 0.000 0.318 435 G C 0.107 175.177 174.900 0.282 0.000 1.188 435 G CA -0.437 44.789 45.100 0.210 0.000 0.944 435 G HN 0.944 nan 8.290 nan 0.000 0.495 436 N N -0.887 117.897 118.700 0.141 0.000 2.336 436 N HA 0.028 4.768 4.740 0.000 0.000 0.189 436 N C 0.482 175.908 175.510 -0.140 0.000 1.113 436 N CA 0.002 52.992 53.050 -0.100 0.000 0.858 436 N CB -0.006 38.322 38.487 -0.264 0.000 0.970 436 N HN 0.630 nan 8.380 nan 0.000 0.471 437 I N -5.578 114.991 120.570 -0.002 0.000 2.828 437 I HA 0.727 4.897 4.170 0.000 0.000 0.302 437 I C 0.352 176.501 176.117 0.053 0.000 1.101 437 I CA -1.336 59.964 61.300 -0.000 0.000 1.031 437 I CB 2.255 40.252 38.000 -0.005 0.000 1.231 437 I HN -0.209 nan 8.210 nan 0.000 0.427 438 G N 2.046 110.877 108.800 0.052 0.000 3.377 438 G HA2 0.596 4.556 3.960 0.000 0.000 0.257 438 G HA3 0.596 4.556 3.960 0.000 0.000 0.257 438 G C 0.533 175.472 174.900 0.066 0.000 1.038 438 G CA -0.067 45.080 45.100 0.078 0.000 0.809 438 G HN 1.480 nan 8.290 nan 0.000 0.526 439 G N 0.699 109.527 108.800 0.046 0.000 2.685 439 G HA2 -0.078 3.883 3.960 0.000 0.000 0.387 439 G HA3 -0.078 3.883 3.960 0.000 0.000 0.387 439 G C -1.218 173.704 174.900 0.037 0.000 1.324 439 G CA -0.125 45.000 45.100 0.042 0.000 0.878 439 G HN 0.115 nan 8.290 nan 0.000 0.527 440 P HA 0.130 nan 4.420 nan 0.000 0.236 440 P C 0.386 177.708 177.300 0.037 0.000 1.177 440 P CA 0.865 63.982 63.100 0.029 0.000 0.773 440 P CB 0.148 31.863 31.700 0.025 0.000 0.878 441 K N 0.611 121.044 120.400 0.055 0.000 2.183 441 K HA 0.528 4.848 4.320 0.000 0.000 0.274 441 K C 0.261 176.912 176.600 0.085 0.000 1.009 441 K CA -0.302 56.030 56.287 0.075 0.000 0.888 441 K CB 0.970 33.530 32.500 0.099 0.000 1.078 441 K HN -0.065 nan 8.250 nan 0.000 0.459 442 A N 2.416 125.272 122.820 0.059 0.000 2.739 442 A HA -0.177 4.143 4.320 0.000 0.000 0.296 442 A C 1.252 178.816 177.584 -0.033 0.000 1.488 442 A CA 0.798 52.832 52.037 -0.006 0.000 0.746 442 A CB -2.190 16.805 19.000 -0.009 0.000 1.047 442 A HN 1.098 nan 8.150 nan 0.000 0.477 443 G N -0.858 107.936 108.800 -0.011 0.000 2.422 443 G HA2 -0.048 3.912 3.960 0.000 0.000 0.218 443 G HA3 -0.048 3.912 3.960 0.000 0.000 0.218 443 G C 1.366 176.260 174.900 -0.011 0.000 1.146 443 G CA 1.930 47.027 45.100 -0.005 0.000 0.769 443 G HN 0.807 nan 8.290 nan 0.000 0.547 444 T N 1.240 115.779 114.554 -0.025 0.000 2.777 444 T HA -0.014 4.337 4.350 0.000 0.000 0.266 444 T C 2.384 177.082 174.700 -0.003 0.000 1.040 444 T CA 0.846 62.943 62.100 -0.004 0.000 1.141 444 T CB -0.116 68.737 68.868 -0.025 0.000 0.868 444 T HN 0.238 nan 8.240 nan 0.000 0.444 445 I N 1.822 122.331 120.570 -0.101 0.000 2.252 445 I HA -0.182 3.989 4.170 0.000 0.000 0.245 445 I C 2.954 179.026 176.117 -0.076 0.000 1.102 445 I CA 1.548 62.738 61.300 -0.184 0.000 1.385 445 I CB -0.623 37.056 38.000 -0.535 0.000 1.064 445 I HN 0.407 nan 8.210 nan 0.000 0.414 446 T N -0.971 113.563 114.554 -0.032 0.000 2.867 446 T HA -0.048 4.303 4.350 0.000 0.000 0.268 446 T C 1.978 176.746 174.700 0.113 0.000 1.057 446 T CA 0.882 63.024 62.100 0.070 0.000 1.136 446 T CB -0.406 68.518 68.868 0.093 0.000 0.874 446 T HN 0.319 nan 8.240 nan 0.000 0.466 447 A N 1.853 124.717 122.820 0.073 0.000 1.902 447 A HA 0.256 4.576 4.320 0.000 0.000 0.217 447 A C 2.731 180.380 177.584 0.108 0.000 1.181 447 A CA 1.614 53.693 52.037 0.071 0.000 0.623 447 A CB -1.611 17.410 19.000 0.035 0.000 0.818 447 A HN 0.611 nan 8.150 nan 0.000 0.443 448 G N -0.953 107.920 108.800 0.123 0.000 2.418 448 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 448 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 448 G C 1.577 176.637 174.900 0.268 0.000 1.158 448 G CA 1.286 46.501 45.100 0.191 0.000 0.771 448 G HN 0.514 nan 8.290 nan 0.000 0.545 449 C N -0.267 119.155 119.300 0.203 0.000 2.429 449 C HA 0.002 4.462 4.460 0.000 0.000 0.277 449 C C 2.410 177.508 174.990 0.179 0.000 1.262 449 C CA 0.698 59.829 59.018 0.189 0.000 1.733 449 C CB -1.174 26.673 27.740 0.177 0.000 2.010 449 C HN 0.483 nan 8.230 nan 0.000 0.483 450 F N 1.406 121.406 119.950 0.083 0.000 2.069 450 F HA -0.140 4.388 4.527 0.001 0.000 0.298 450 F C 2.109 178.007 175.800 0.162 0.000 1.113 450 F CA 1.676 59.745 58.000 0.115 0.000 1.214 450 F CB -0.451 38.600 39.000 0.085 0.000 0.978 450 F HN 0.106 nan 8.300 nan 0.000 0.474 451 L N 0.060 121.465 121.223 0.304 0.000 2.131 451 L HA -0.216 4.124 4.340 0.000 0.000 0.210 451 L C 2.746 179.467 176.870 -0.248 0.000 1.092 451 L CA 1.374 56.282 54.840 0.114 0.000 0.759 451 L CB -1.057 41.081 42.059 0.131 0.000 0.903 451 L HN 0.357 nan 8.230 nan 0.000 0.435 452 S N 0.132 115.649 115.700 -0.305 0.000 2.419 452 S HA -0.214 4.256 4.470 0.000 0.000 0.235 452 S C 1.975 176.326 174.600 -0.415 0.000 1.019 452 S CA 0.855 58.715 58.200 -0.566 0.000 0.982 452 S CB -0.431 62.738 63.200 -0.052 0.000 0.789 452 S HN 0.420 nan 8.310 nan 0.000 0.490 453 R N -0.350 119.957 120.500 -0.322 0.000 2.285 453 R HA 0.101 4.441 4.340 0.000 0.000 0.213 453 R C 0.578 176.416 176.300 -0.769 0.000 1.068 453 R CA 1.071 56.858 56.100 -0.521 0.000 1.004 453 R CB -0.323 29.592 30.300 -0.641 0.000 0.873 453 R HN 0.551 nan 8.270 nan 0.000 0.467 454 F N -1.438 118.259 119.950 -0.422 0.000 2.682 454 F HA 0.317 4.845 4.527 0.001 0.000 0.308 454 F C 1.421 176.954 175.800 -0.445 0.000 1.093 454 F CA -0.257 57.530 58.000 -0.355 0.000 1.244 454 F CB 0.746 39.589 39.000 -0.262 0.000 1.052 454 F HN -0.110 nan 8.300 nan 0.000 0.573 455 A N -0.511 122.006 122.820 -0.504 0.000 2.564 455 A HA 0.223 4.543 4.320 0.000 0.000 0.279 455 A C 1.664 178.869 177.584 -0.630 0.000 1.232 455 A CA -0.208 51.404 52.037 -0.710 0.000 0.950 455 A CB -0.276 18.026 19.000 -1.163 0.000 1.138 455 A HN 0.162 nan 8.150 nan 0.000 0.526 456 K N 0.047 120.162 120.400 -0.475 0.000 2.362 456 K HA 0.021 4.342 4.320 0.000 0.000 0.200 456 K C 1.704 178.118 176.600 -0.310 0.000 1.046 456 K CA 0.911 57.013 56.287 -0.308 0.000 0.952 456 K CB -0.026 32.330 32.500 -0.240 0.000 0.753 456 K HN 0.440 nan 8.250 nan 0.000 0.466 457 A N 0.811 123.326 122.820 -0.508 0.000 2.208 457 A HA 0.005 4.326 4.320 0.000 0.000 0.209 457 A C 0.159 177.641 177.584 -0.170 0.000 1.161 457 A CA 0.517 52.352 52.037 -0.337 0.000 0.782 457 A CB -0.278 18.543 19.000 -0.297 0.000 0.816 457 A HN 0.349 nan 8.150 nan 0.000 0.477 458 Y N -3.780 116.552 120.300 0.053 0.000 2.725 458 Y HA 0.476 5.026 4.550 0.000 0.000 0.333 458 Y C -0.914 175.075 175.900 0.148 0.000 1.242 458 Y CA -2.806 55.348 58.100 0.091 0.000 1.059 458 Y CB -0.235 38.285 38.460 0.100 0.000 1.306 458 Y HN 0.019 nan 8.280 nan 0.000 0.454 459 N N 0.805 119.762 118.700 0.428 0.000 2.452 459 N HA 0.298 5.038 4.740 0.000 0.000 0.266 459 N C -1.683 174.100 175.510 0.456 0.000 1.175 459 N CA -0.017 53.239 53.050 0.344 0.000 0.945 459 N CB 0.687 39.303 38.487 0.215 0.000 1.063 459 N HN 0.686 nan 8.380 nan 0.000 0.472 460 W N 3.201 124.635 121.300 0.222 0.000 3.032 460 W HA 0.684 5.344 4.660 0.000 0.000 0.335 460 W C -1.784 174.811 176.519 0.126 0.000 1.154 460 W CA -0.573 56.902 57.345 0.215 0.000 1.204 460 W CB 1.055 30.728 29.460 0.355 0.000 1.416 460 W HN 0.432 nan 8.180 nan 0.000 0.521 461 A N 4.134 126.480 122.820 -0.789 0.000 2.515 461 A HA 0.620 4.940 4.320 0.000 0.000 0.296 461 A C -2.111 174.855 177.584 -1.031 0.000 1.094 461 A CA -0.668 50.786 52.037 -0.971 0.000 0.718 461 A CB 1.740 20.462 19.000 -0.465 0.000 1.307 461 A HN 0.876 nan 8.150 nan 0.000 0.408 462 H N 1.964 120.500 119.070 -0.891 0.000 2.689 462 H HA 0.638 5.195 4.556 0.000 0.000 0.346 462 H C -1.653 173.521 175.328 -0.257 0.000 1.037 462 H CA -0.761 55.023 56.048 -0.440 0.000 1.234 462 H CB 1.125 30.713 29.762 -0.290 0.000 1.572 462 H HN 0.635 nan 8.280 nan 0.000 0.524 463 M N 4.445 123.735 119.600 -0.515 0.000 2.114 463 M HA 0.112 4.593 4.480 0.000 0.000 0.332 463 M C -0.798 175.198 176.300 -0.507 0.000 1.014 463 M CA -0.695 54.330 55.300 -0.458 0.000 0.956 463 M CB 1.544 33.995 32.600 -0.249 0.000 1.551 463 M HN 0.475 nan 8.290 nan 0.000 0.427 464 D N 4.740 124.845 120.400 -0.492 0.000 2.396 464 D HA 0.299 4.939 4.640 0.000 0.000 0.225 464 D C 0.192 176.394 176.300 -0.163 0.000 1.121 464 D CA -0.297 53.540 54.000 -0.272 0.000 0.853 464 D CB 0.768 41.447 40.800 -0.201 0.000 1.043 464 D HN 0.700 nan 8.370 nan 0.000 0.500 465 I N 0.844 121.348 120.570 -0.110 0.000 3.889 465 I HA 0.367 4.537 4.170 0.000 0.000 0.332 465 I C 1.504 177.554 176.117 -0.111 0.000 1.493 465 I CA -0.592 60.648 61.300 -0.101 0.000 1.158 465 I CB 0.617 38.579 38.000 -0.063 0.000 1.117 465 I HN 0.186 nan 8.210 nan 0.000 0.411 466 A N 1.769 124.522 122.820 -0.112 0.000 1.978 466 A HA -0.045 4.275 4.320 0.000 0.000 0.220 466 A C 2.227 179.561 177.584 -0.416 0.000 1.170 466 A CA 2.010 53.946 52.037 -0.168 0.000 0.636 466 A CB -0.993 17.946 19.000 -0.102 0.000 0.810 466 A HN 0.596 nan 8.150 nan 0.000 0.448 467 G N -1.811 106.785 108.800 -0.340 0.000 2.719 467 G HA2 0.125 4.085 3.960 0.000 0.000 0.211 467 G HA3 0.125 4.085 3.960 0.000 0.000 0.211 467 G C 1.379 176.026 174.900 -0.423 0.000 1.140 467 G CA 1.368 46.219 45.100 -0.415 0.000 0.790 467 G HN 0.664 nan 8.290 nan 0.000 0.529 468 T N -2.611 111.756 114.554 -0.312 0.000 3.040 468 T HA 0.479 4.829 4.350 0.000 0.000 0.250 468 T C 2.204 176.782 174.700 -0.203 0.000 1.058 468 T CA 0.966 62.922 62.100 -0.241 0.000 0.988 468 T CB 0.670 69.445 68.868 -0.155 0.000 0.993 468 T HN 0.155 nan 8.240 nan 0.000 0.519 469 A N 0.900 123.608 122.820 -0.188 0.000 2.072 469 A HA 0.502 4.823 4.320 0.000 0.000 0.216 469 A C 0.573 178.179 177.584 0.036 0.000 1.156 469 A CA 0.025 52.054 52.037 -0.013 0.000 0.701 469 A CB -0.513 18.589 19.000 0.169 0.000 0.816 469 A HN 0.878 nan 8.150 nan 0.000 0.458 470 W N -2.591 118.533 121.300 -0.295 0.000 3.074 470 W HA 0.694 5.353 4.660 -0.000 0.000 0.332 470 W C -1.645 174.684 176.519 -0.317 0.000 1.253 470 W CA -1.216 55.859 57.345 -0.450 0.000 1.180 470 W CB 0.351 29.259 29.460 -0.920 0.000 1.445 470 W HN -0.128 nan 8.180 nan 0.000 0.573 471 I N 2.916 123.433 120.570 -0.088 0.000 2.359 471 I HA 0.194 4.364 4.170 0.000 0.000 0.294 471 I C 0.806 176.981 176.117 0.097 0.000 0.987 471 I CA -0.507 60.737 61.300 -0.093 0.000 1.225 471 I CB 1.936 39.899 38.000 -0.062 0.000 1.366 471 I HN 0.696 nan 8.210 nan 0.000 0.466 472 S N 3.322 119.051 115.700 0.048 0.000 2.387 472 S HA 0.104 4.575 4.470 0.000 0.000 0.226 472 S C 0.701 175.390 174.600 0.148 0.000 1.026 472 S CA 0.922 59.236 58.200 0.191 0.000 0.972 472 S CB 0.157 63.417 63.200 0.100 0.000 0.814 472 S HN 0.896 nan 8.310 nan 0.000 0.477 473 G N -1.460 107.385 108.800 0.076 0.000 2.827 473 G HA2 0.569 4.529 3.960 0.000 0.000 0.296 473 G HA3 0.569 4.529 3.960 0.000 0.000 0.296 473 G C -0.207 174.719 174.900 0.043 0.000 1.362 473 G CA -0.099 45.040 45.100 0.064 0.000 0.809 473 G HN 0.761 nan 8.290 nan 0.000 0.522 474 G N -0.741 108.082 108.800 0.039 0.000 2.741 474 G HA2 -0.177 3.783 3.960 0.000 0.000 0.222 474 G HA3 -0.177 3.783 3.960 0.000 0.000 0.222 474 G C 0.741 175.666 174.900 0.042 0.000 1.364 474 G CA 0.445 45.565 45.100 0.033 0.000 0.866 474 G HN 0.897 nan 8.290 nan 0.000 0.555 475 K N -0.051 120.371 120.400 0.037 0.000 2.283 475 K HA 0.007 4.328 4.320 0.000 0.000 0.202 475 K C 1.044 177.678 176.600 0.056 0.000 1.048 475 K CA 1.487 57.801 56.287 0.046 0.000 0.948 475 K CB 0.084 32.607 32.500 0.038 0.000 0.742 475 K HN 0.454 nan 8.250 nan 0.000 0.458 476 D N 1.197 121.624 120.400 0.046 0.000 2.368 476 D HA -0.015 4.625 4.640 0.000 0.000 0.218 476 D C -0.120 176.209 176.300 0.048 0.000 1.112 476 D CA 0.011 54.040 54.000 0.048 0.000 0.834 476 D CB 0.248 41.065 40.800 0.027 0.000 0.953 476 D HN 0.107 nan 8.370 nan 0.000 0.505 477 K N 1.292 121.729 120.400 0.063 0.000 2.543 477 K HA 0.147 4.467 4.320 0.000 0.000 0.279 477 K C 0.366 177.018 176.600 0.087 0.000 1.001 477 K CA 0.628 56.965 56.287 0.085 0.000 1.088 477 K CB 0.182 32.748 32.500 0.112 0.000 0.863 477 K HN 0.213 nan 8.250 nan 0.000 0.488 478 G N 1.667 110.486 108.800 0.032 0.000 2.359 478 G HA2 0.298 4.258 3.960 0.000 0.000 0.314 478 G HA3 0.298 4.258 3.960 0.000 0.000 0.314 478 G C -1.252 173.490 174.900 -0.263 0.000 1.364 478 G CA -0.571 44.507 45.100 -0.037 0.000 0.978 478 G HN 0.776 nan 8.290 nan 0.000 0.615 479 A N -0.492 122.147 122.820 -0.302 0.000 2.498 479 A HA 0.569 4.890 4.320 0.000 0.000 0.239 479 A C 1.698 179.168 177.584 -0.189 0.000 1.068 479 A CA 1.469 53.346 52.037 -0.265 0.000 0.766 479 A CB 0.155 19.091 19.000 -0.107 0.000 1.003 479 A HN 2.209 nan 8.150 nan 0.000 0.497 480 T N -0.938 113.529 114.554 -0.145 0.000 3.051 480 T HA 0.397 4.747 4.350 0.000 0.000 0.255 480 T C 1.460 176.080 174.700 -0.133 0.000 1.085 480 T CA 1.078 63.097 62.100 -0.134 0.000 1.109 480 T CB 0.013 68.814 68.868 -0.111 0.000 0.921 480 T HN 2.402 nan 8.240 nan 0.000 0.488 481 G N 1.860 110.592 108.800 -0.113 0.000 2.199 481 G HA2 -0.264 3.697 3.960 0.000 0.000 0.254 481 G HA3 -0.264 3.697 3.960 0.000 0.000 0.254 481 G C 0.225 175.093 174.900 -0.053 0.000 0.982 481 G CA -0.058 44.991 45.100 -0.085 0.000 0.632 481 G HN 0.687 nan 8.290 nan 0.000 0.529 482 R N 0.969 121.436 120.500 -0.056 0.000 2.539 482 R HA 0.422 4.762 4.340 0.000 0.000 0.275 482 R C -1.954 174.323 176.300 -0.038 0.000 1.077 482 R CA -0.858 55.214 56.100 -0.047 0.000 1.097 482 R CB 0.981 31.245 30.300 -0.059 0.000 1.018 482 R HN 0.139 nan 8.270 nan 0.000 0.483 483 P HA 0.095 nan 4.420 nan 0.000 0.253 483 P C 0.509 177.793 177.300 -0.027 0.000 1.863 483 P CA -0.069 63.008 63.100 -0.039 0.000 1.145 483 P CB 0.457 32.124 31.700 -0.055 0.000 1.666 484 V N 1.348 121.252 119.914 -0.018 0.000 2.332 484 V HA -0.163 3.958 4.120 0.000 0.000 0.248 484 V C -0.360 175.733 176.094 -0.002 0.000 1.055 484 V CA 2.375 64.672 62.300 -0.005 0.000 1.038 484 V CB -2.089 29.738 31.823 0.007 0.000 0.651 484 V HN 0.269 nan 8.190 nan 0.000 0.450 485 P HA -0.140 nan 4.420 nan 0.000 0.216 485 P C 2.014 179.318 177.300 0.007 0.000 1.153 485 P CA 1.303 64.406 63.100 0.004 0.000 0.848 485 P CB -0.020 31.682 31.700 0.003 0.000 0.787 486 L N -1.083 120.140 121.223 -0.001 0.000 2.017 486 L HA -0.163 4.177 4.340 0.000 0.000 0.208 486 L C 2.193 179.075 176.870 0.019 0.000 1.073 486 L CA 1.642 56.484 54.840 0.004 0.000 0.745 486 L CB -0.718 41.328 42.059 -0.022 0.000 0.894 486 L HN -0.109 nan 8.230 nan 0.000 0.432 487 L N -0.828 120.395 121.223 0.001 0.000 2.056 487 L HA -0.196 4.145 4.340 0.000 0.000 0.207 487 L C 2.488 179.388 176.870 0.049 0.000 1.078 487 L CA 1.724 56.576 54.840 0.020 0.000 0.749 487 L CB -0.918 41.134 42.059 -0.011 0.000 0.901 487 L HN 0.281 nan 8.230 nan 0.000 0.433 488 T N -1.374 113.186 114.554 0.009 0.000 2.777 488 T HA -0.247 4.103 4.350 0.000 0.000 0.266 488 T C 1.805 176.481 174.700 -0.039 0.000 1.040 488 T CA 1.342 63.428 62.100 -0.023 0.000 1.141 488 T CB -0.147 68.706 68.868 -0.025 0.000 0.868 488 T HN 0.194 nan 8.240 nan 0.000 0.444 489 Q N 0.438 120.235 119.800 -0.004 0.000 2.096 489 Q HA -0.162 4.179 4.340 0.000 0.000 0.204 489 Q C 1.940 177.935 176.000 -0.009 0.000 0.982 489 Q CA 1.673 57.475 55.803 -0.002 0.000 0.850 489 Q CB -0.691 28.069 28.738 0.036 0.000 0.901 489 Q HN 0.713 nan 8.270 nan 0.000 0.422 490 Y N 0.001 120.242 120.300 -0.098 0.000 2.165 490 Y HA -0.198 4.352 4.550 0.000 0.000 0.286 490 Y C 1.583 177.359 175.900 -0.206 0.000 1.155 490 Y CA 1.885 59.908 58.100 -0.127 0.000 1.164 490 Y CB -0.203 38.186 38.460 -0.118 0.000 0.978 490 Y HN 0.173 nan 8.280 nan 0.000 0.513 491 L N -0.563 120.486 121.223 -0.290 0.000 2.109 491 L HA -0.195 4.145 4.340 0.000 0.000 0.207 491 L C 2.476 179.127 176.870 -0.366 0.000 1.086 491 L CA 0.925 55.483 54.840 -0.471 0.000 0.760 491 L CB -0.590 41.309 42.059 -0.266 0.000 0.910 491 L HN 0.289 nan 8.230 nan 0.000 0.437 492 L N -0.298 120.775 121.223 -0.249 0.000 2.042 492 L HA -0.264 4.076 4.340 0.000 0.000 0.210 492 L C 2.255 179.003 176.870 -0.202 0.000 1.076 492 L CA 1.232 55.940 54.840 -0.220 0.000 0.749 492 L CB -0.582 41.340 42.059 -0.228 0.000 0.893 492 L HN 0.293 nan 8.230 nan 0.000 0.432 493 D N -0.464 119.804 120.400 -0.221 0.000 2.117 493 D HA -0.136 4.504 4.640 0.000 0.000 0.197 493 D C 2.365 178.522 176.300 -0.239 0.000 0.987 493 D CA 0.904 54.789 54.000 -0.192 0.000 0.829 493 D CB -0.147 40.554 40.800 -0.165 0.000 0.961 493 D HN 0.141 nan 8.370 nan 0.000 0.460 494 R N 0.622 120.872 120.500 -0.417 0.000 2.115 494 R HA 0.067 4.407 4.340 0.000 0.000 0.230 494 R C 1.940 178.129 176.300 -0.184 0.000 1.111 494 R CA 0.811 56.688 56.100 -0.370 0.000 0.976 494 R CB -0.605 29.218 30.300 -0.796 0.000 0.870 494 R HN 0.128 nan 8.270 nan 0.000 0.445 495 A N 0.103 122.809 122.820 -0.190 0.000 2.169 495 A HA 0.224 4.544 4.320 0.000 0.000 0.212 495 A C 1.228 178.780 177.584 -0.054 0.000 1.153 495 A CA 0.766 52.753 52.037 -0.084 0.000 0.756 495 A CB -0.161 18.790 19.000 -0.081 0.000 0.813 495 A HN 0.376 nan 8.150 nan 0.000 0.471 496 G N -1.095 107.661 108.800 -0.074 0.000 2.314 496 G HA2 0.121 4.081 3.960 0.000 0.000 0.292 496 G HA3 0.121 4.081 3.960 0.000 0.000 0.292 496 G C 0.301 175.180 174.900 -0.035 0.000 1.059 496 G CA 0.628 45.698 45.100 -0.050 0.000 0.982 496 G HN 1.454 nan 8.290 nan 0.000 0.505 497 A N 0.000 122.794 122.820 -0.044 0.000 2.254 497 A HA 0.000 4.320 4.320 0.000 0.000 0.244 497 A CA 0.000 52.043 52.037 0.010 0.000 0.836 497 A CB 0.000 19.005 19.000 0.009 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486