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 3h8e_1_A DATA FIRST_RESID 1 DATA SEQUENCE MELVVKSVAA ASVKTATLVI PVGENRKLGA VAKAVDLASE GAISAVLKRG DATA SEQUENCE DLAGKPGQTL LLQNLQGLKA ERVLLVGSGK DEALGDRTWR KLVASVAGVL DATA SEQUENCE KGLNGADAVL ALDDVAVNNR DAHYGKYRLL AETLLDGEYV FDRFKSXXXE DATA SEQUENCE PRALKKVTLL ADKAGQAEVE RAVKHASAIA TGMAFTRDLG NLPPNLCHPS DATA SEQUENCE FLAEQAKELG KAHKALKVEV LDEKKIKDLG MGAFYAVGQG SDQPPRLIVL DATA SEQUENCE NYQGGKKADK PFVLVGKGIX XXXXXXXXXX XXXXXXXXXX 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 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.609 32.600 0.016 0.000 1.302 2 E N 4.029 124.235 120.200 0.011 0.000 2.289 2 E HA 0.507 4.858 4.350 0.001 0.000 0.278 2 E C -1.906 174.699 176.600 0.009 0.000 1.032 2 E CA -0.471 55.935 56.400 0.010 0.000 0.854 2 E CB 1.357 31.061 29.700 0.006 0.000 1.046 2 E HN 0.724 nan 8.360 nan 0.000 0.409 3 L N 6.243 127.471 121.223 0.009 0.000 2.325 3 L HA 0.488 4.829 4.340 0.001 0.000 0.281 3 L C -1.013 175.856 176.870 -0.002 0.000 1.004 3 L CA -0.677 54.167 54.840 0.007 0.000 0.823 3 L CB 1.393 43.460 42.059 0.014 0.000 1.236 3 L HN 0.486 nan 8.230 nan 0.000 0.415 4 V N 2.562 122.471 119.914 -0.009 0.000 3.102 4 V HA 0.763 4.883 4.120 0.001 0.000 0.312 4 V C -1.079 174.993 176.094 -0.037 0.000 1.135 4 V CA -0.687 61.601 62.300 -0.020 0.000 1.022 4 V CB 2.102 33.917 31.823 -0.014 0.000 1.056 4 V HN 0.414 nan 8.190 nan 0.000 0.436 5 V N 1.880 121.765 119.914 -0.048 0.000 2.588 5 V HA 0.662 4.782 4.120 0.001 0.000 0.304 5 V C -0.136 175.925 176.094 -0.056 0.000 1.042 5 V CA -0.554 61.702 62.300 -0.072 0.000 0.877 5 V CB 1.565 33.327 31.823 -0.102 0.000 0.996 5 V HN 1.058 nan 8.190 nan 0.000 0.425 6 K N 1.608 121.977 120.400 -0.052 0.000 2.409 6 K HA 0.648 4.969 4.320 0.001 0.000 0.252 6 K C 0.107 176.684 176.600 -0.038 0.000 1.036 6 K CA -0.482 55.783 56.287 -0.038 0.000 0.871 6 K CB 2.224 34.710 32.500 -0.022 0.000 1.374 6 K HN 0.673 nan 8.250 nan 0.000 0.459 7 S N -1.310 114.373 115.700 -0.028 0.000 2.846 7 S HA 0.096 4.567 4.470 0.001 0.000 0.249 7 S C 0.460 175.055 174.600 -0.008 0.000 1.028 7 S CA -0.618 57.569 58.200 -0.022 0.000 1.043 7 S CB -0.452 62.729 63.200 -0.031 0.000 0.990 7 S HN 0.388 nan 8.310 nan 0.000 0.564 8 V N 0.011 119.921 119.914 -0.006 0.000 3.319 8 V HA 0.828 4.949 4.120 0.001 0.000 0.303 8 V C 0.647 176.745 176.094 0.006 0.000 1.094 8 V CA -0.572 61.727 62.300 -0.001 0.000 1.106 8 V CB 0.010 31.832 31.823 -0.001 0.000 1.099 8 V HN 0.526 nan 8.190 nan 0.000 0.476 9 A N 2.073 124.898 122.820 0.008 0.000 2.425 9 A HA 0.673 4.994 4.320 0.001 0.000 0.249 9 A C 1.536 179.129 177.584 0.015 0.000 1.084 9 A CA 0.120 52.165 52.037 0.013 0.000 0.781 9 A CB 0.375 19.381 19.000 0.011 0.000 1.019 9 A HN 1.971 nan 8.150 nan 0.000 0.490 10 A N 2.468 125.300 122.820 0.020 0.000 1.917 10 A HA 0.058 4.378 4.320 0.001 0.000 0.219 10 A C 2.258 179.853 177.584 0.018 0.000 1.182 10 A CA 2.377 54.427 52.037 0.022 0.000 0.633 10 A CB -0.880 18.138 19.000 0.029 0.000 0.819 10 A HN 1.739 nan 8.150 nan 0.000 0.448 11 A N -0.123 122.707 122.820 0.016 0.000 2.121 11 A HA 0.041 4.361 4.320 0.001 0.000 0.218 11 A C 2.281 179.872 177.584 0.010 0.000 1.154 11 A CA 1.841 53.886 52.037 0.013 0.000 0.679 11 A CB -0.647 18.360 19.000 0.012 0.000 0.795 11 A HN 1.016 nan 8.150 nan 0.000 0.458 12 S N -1.072 114.634 115.700 0.010 0.000 2.558 12 S HA 0.198 4.669 4.470 0.001 0.000 0.217 12 S C 0.292 174.896 174.600 0.006 0.000 0.975 12 S CA 0.150 58.354 58.200 0.007 0.000 0.912 12 S CB -0.318 62.885 63.200 0.006 0.000 0.776 12 S HN 0.090 nan 8.310 nan 0.000 0.526 13 V N 2.642 122.561 119.914 0.008 0.000 2.383 13 V HA 0.353 4.474 4.120 0.001 0.000 0.275 13 V C 0.195 176.293 176.094 0.007 0.000 1.036 13 V CA -0.879 61.425 62.300 0.007 0.000 0.889 13 V CB 1.172 33.000 31.823 0.008 0.000 0.985 13 V HN 0.346 nan 8.190 nan 0.000 0.459 14 K N 3.159 123.562 120.400 0.005 0.000 2.383 14 K HA 0.409 4.729 4.320 0.001 0.000 0.286 14 K C -0.178 176.425 176.600 0.005 0.000 1.051 14 K CA 0.265 56.554 56.287 0.004 0.000 0.974 14 K CB 0.517 33.019 32.500 0.003 0.000 0.968 14 K HN 0.862 nan 8.250 nan 0.000 0.475 15 T N 1.778 116.336 114.554 0.006 0.000 2.885 15 T HA 0.401 4.752 4.350 0.001 0.000 0.322 15 T C 0.451 175.154 174.700 0.006 0.000 1.387 15 T CA -0.030 62.074 62.100 0.006 0.000 1.041 15 T CB 1.369 70.243 68.868 0.008 0.000 1.287 15 T HN 0.527 nan 8.240 nan 0.000 0.491 16 A N 1.954 124.777 122.820 0.005 0.000 1.933 16 A HA 0.287 4.607 4.320 0.001 0.000 0.218 16 A C 0.930 178.518 177.584 0.006 0.000 1.175 16 A CA 1.413 53.453 52.037 0.005 0.000 0.628 16 A CB -0.333 18.669 19.000 0.003 0.000 0.814 16 A HN 0.809 nan 8.150 nan 0.000 0.444 17 T N -0.560 113.999 114.554 0.008 0.000 3.109 17 T HA 0.471 4.822 4.350 0.001 0.000 0.311 17 T C -1.263 173.445 174.700 0.014 0.000 1.011 17 T CA -0.429 61.677 62.100 0.010 0.000 1.026 17 T CB 1.537 70.410 68.868 0.008 0.000 1.047 17 T HN 0.255 nan 8.240 nan 0.000 0.448 18 L N 4.631 125.864 121.223 0.016 0.000 2.289 18 L HA 0.777 5.117 4.340 0.001 0.000 0.285 18 L C -0.940 175.944 176.870 0.025 0.000 1.049 18 L CA -0.348 54.505 54.840 0.021 0.000 0.804 18 L CB 1.048 43.120 42.059 0.020 0.000 1.195 18 L HN 0.474 nan 8.230 nan 0.000 0.428 19 V N 6.752 126.685 119.914 0.032 0.000 2.417 19 V HA 0.535 4.656 4.120 0.001 0.000 0.291 19 V C 0.059 176.183 176.094 0.051 0.000 1.024 19 V CA -0.448 61.874 62.300 0.037 0.000 0.861 19 V CB 1.236 33.081 31.823 0.037 0.000 0.985 19 V HN 0.759 nan 8.190 nan 0.000 0.436 20 I N 3.342 123.940 120.570 0.047 0.000 2.828 20 I HA 0.812 4.983 4.170 0.001 0.000 0.302 20 I C -2.872 173.278 176.117 0.055 0.000 1.101 20 I CA -2.591 58.741 61.300 0.054 0.000 1.031 20 I CB 2.864 40.889 38.000 0.043 0.000 1.231 20 I HN 0.358 nan 8.210 nan 0.000 0.427 21 P HA 0.452 nan 4.420 nan 0.000 0.287 21 P C -1.073 176.253 177.300 0.043 0.000 1.270 21 P CA -0.591 62.546 63.100 0.062 0.000 0.844 21 P CB 2.248 33.997 31.700 0.081 0.000 1.068 22 V N 1.246 121.182 119.914 0.037 0.000 2.623 22 V HA 0.580 4.700 4.120 0.001 0.000 0.304 22 V C 0.748 176.856 176.094 0.024 0.000 1.054 22 V CA -0.545 61.771 62.300 0.026 0.000 0.882 22 V CB 1.789 33.626 31.823 0.022 0.000 1.002 22 V HN 0.819 nan 8.190 nan 0.000 0.424 23 G N 2.462 111.273 108.800 0.018 0.000 2.557 23 G HA2 0.502 4.463 3.960 0.001 0.000 0.292 23 G HA3 0.502 4.463 3.960 0.001 0.000 0.292 23 G C -0.185 174.721 174.900 0.011 0.000 1.237 23 G CA -0.471 44.637 45.100 0.014 0.000 0.978 23 G HN 0.721 nan 8.290 nan 0.000 0.498 24 E N 0.268 120.473 120.200 0.009 0.000 2.458 24 E HA -0.058 4.293 4.350 0.001 0.000 0.264 24 E C 0.122 176.725 176.600 0.005 0.000 1.097 24 E CA 0.246 56.650 56.400 0.006 0.000 0.973 24 E CB 0.245 29.947 29.700 0.004 0.000 0.963 24 E HN 0.492 nan 8.360 nan 0.000 0.451 25 N N 1.738 120.441 118.700 0.004 0.000 2.693 25 N HA -0.267 4.473 4.740 0.001 0.000 0.249 25 N C -0.730 174.783 175.510 0.005 0.000 1.119 25 N CA 1.346 54.398 53.050 0.004 0.000 0.717 25 N CB -0.971 37.517 38.487 0.002 0.000 1.071 25 N HN 0.615 nan 8.380 nan 0.000 0.555 26 R N -1.567 118.937 120.500 0.006 0.000 3.516 26 R HA -0.221 4.120 4.340 0.001 0.000 0.271 26 R C 0.058 176.363 176.300 0.008 0.000 1.098 26 R CA 1.241 57.345 56.100 0.008 0.000 0.732 26 R CB -1.347 28.957 30.300 0.007 0.000 1.152 26 R HN 0.457 nan 8.270 nan 0.000 0.455 27 K N 1.506 121.910 120.400 0.007 0.000 2.312 27 K HA 0.261 4.582 4.320 0.001 0.000 0.287 27 K C -0.204 176.401 176.600 0.009 0.000 1.062 27 K CA -0.211 56.080 56.287 0.006 0.000 0.934 27 K CB 0.549 33.051 32.500 0.004 0.000 1.027 27 K HN 0.123 nan 8.250 nan 0.000 0.478 28 L N 4.090 125.319 121.223 0.009 0.000 2.282 28 L HA 0.382 4.723 4.340 0.001 0.000 0.288 28 L C 0.933 177.810 176.870 0.010 0.000 1.033 28 L CA -0.948 53.899 54.840 0.012 0.000 0.807 28 L CB 1.578 43.644 42.059 0.013 0.000 1.209 28 L HN 0.788 nan 8.230 nan 0.000 0.423 29 G N 1.244 110.051 108.800 0.012 0.000 2.651 29 G HA2 0.334 4.294 3.960 0.001 0.000 0.260 29 G HA3 0.334 4.294 3.960 0.001 0.000 0.260 29 G C 0.997 175.905 174.900 0.013 0.000 1.216 29 G CA 0.175 45.280 45.100 0.010 0.000 0.913 29 G HN 0.818 nan 8.290 nan 0.000 0.535 30 A N -0.563 122.264 122.820 0.012 0.000 1.917 30 A HA -0.080 4.241 4.320 0.001 0.000 0.219 30 A C 2.571 180.167 177.584 0.020 0.000 1.182 30 A CA 2.182 54.227 52.037 0.015 0.000 0.633 30 A CB -0.726 18.282 19.000 0.014 0.000 0.819 30 A HN 0.558 nan 8.150 nan 0.000 0.448 31 V N -0.353 119.576 119.914 0.025 0.000 2.295 31 V HA -0.248 3.872 4.120 0.001 0.000 0.246 31 V C 3.066 179.178 176.094 0.029 0.000 1.049 31 V CA 2.046 64.365 62.300 0.031 0.000 1.024 31 V CB -1.222 30.627 31.823 0.043 0.000 0.648 31 V HN 0.639 nan 8.190 nan 0.000 0.447 32 A N -0.403 122.434 122.820 0.028 0.000 1.933 32 A HA -0.229 4.092 4.320 0.001 0.000 0.218 32 A C 2.266 179.861 177.584 0.020 0.000 1.175 32 A CA 1.884 53.937 52.037 0.026 0.000 0.628 32 A CB -0.419 18.596 19.000 0.026 0.000 0.814 32 A HN 0.565 nan 8.150 nan 0.000 0.444 33 K N -0.263 120.147 120.400 0.017 0.000 2.097 33 K HA -0.040 4.281 4.320 0.001 0.000 0.206 33 K C 2.257 178.866 176.600 0.014 0.000 1.049 33 K CA 1.073 57.369 56.287 0.014 0.000 0.933 33 K CB -0.303 32.204 32.500 0.012 0.000 0.717 33 K HN 0.439 nan 8.250 nan 0.000 0.442 34 A N 0.990 123.820 122.820 0.015 0.000 1.930 34 A HA -0.096 4.225 4.320 0.001 0.000 0.217 34 A C 2.335 179.928 177.584 0.014 0.000 1.175 34 A CA 1.212 53.258 52.037 0.014 0.000 0.627 34 A CB -0.466 18.544 19.000 0.016 0.000 0.815 34 A HN 0.065 nan 8.150 nan 0.000 0.443 35 V N 0.361 120.285 119.914 0.017 0.000 2.453 35 V HA -0.202 3.919 4.120 0.001 0.000 0.247 35 V C 2.329 178.432 176.094 0.014 0.000 1.048 35 V CA 2.247 64.556 62.300 0.016 0.000 1.049 35 V CB -0.686 31.149 31.823 0.020 0.000 0.672 35 V HN 0.665 nan 8.190 nan 0.000 0.457 36 D N 0.154 120.562 120.400 0.014 0.000 2.104 36 D HA -0.204 4.437 4.640 0.001 0.000 0.194 36 D C 1.974 178.280 176.300 0.010 0.000 0.994 36 D CA 1.456 55.463 54.000 0.012 0.000 0.830 36 D CB -0.167 40.640 40.800 0.011 0.000 0.959 36 D HN 0.290 nan 8.370 nan 0.000 0.452 37 L N 0.374 121.603 121.223 0.010 0.000 2.046 37 L HA 0.003 4.344 4.340 0.001 0.000 0.208 37 L C 2.192 179.067 176.870 0.008 0.000 1.077 37 L CA 2.136 56.981 54.840 0.008 0.000 0.747 37 L CB -0.940 41.124 42.059 0.008 0.000 0.896 37 L HN 0.080 nan 8.230 nan 0.000 0.432 38 A N -1.092 121.733 122.820 0.009 0.000 1.972 38 A HA -0.187 4.133 4.320 0.001 0.000 0.219 38 A C 2.329 179.918 177.584 0.008 0.000 1.169 38 A CA 1.652 53.694 52.037 0.008 0.000 0.635 38 A CB -0.997 18.009 19.000 0.009 0.000 0.810 38 A HN 0.640 nan 8.150 nan 0.000 0.446 39 S N -1.038 114.667 115.700 0.008 0.000 2.650 39 S HA 0.091 4.562 4.470 0.001 0.000 0.219 39 S C 0.179 174.783 174.600 0.007 0.000 0.960 39 S CA 0.706 58.910 58.200 0.008 0.000 0.925 39 S CB -0.235 62.970 63.200 0.009 0.000 0.775 39 S HN 0.446 nan 8.310 nan 0.000 0.525 40 E N 0.013 120.217 120.200 0.006 0.000 2.476 40 E HA -0.207 4.144 4.350 0.001 0.000 0.251 40 E C 0.862 177.465 176.600 0.006 0.000 1.130 40 E CA 0.898 57.302 56.400 0.006 0.000 0.736 40 E CB -2.205 27.498 29.700 0.005 0.000 1.298 40 E HN 1.238 nan 8.360 nan 0.000 0.400 41 G N -1.473 107.331 108.800 0.006 0.000 2.143 41 G HA2 -0.338 3.623 3.960 0.001 0.000 0.249 41 G HA3 -0.338 3.623 3.960 0.001 0.000 0.249 41 G C 1.081 175.985 174.900 0.006 0.000 0.981 41 G CA 0.965 46.069 45.100 0.006 0.000 0.665 41 G HN 0.903 nan 8.290 nan 0.000 0.528 42 A N -0.183 122.641 122.820 0.007 0.000 1.930 42 A HA 0.310 4.631 4.320 0.001 0.000 0.217 42 A C 2.337 179.925 177.584 0.007 0.000 1.175 42 A CA 1.770 53.811 52.037 0.006 0.000 0.627 42 A CB -0.254 18.750 19.000 0.006 0.000 0.815 42 A HN 0.736 nan 8.150 nan 0.000 0.443 43 I N 0.598 121.174 120.570 0.008 0.000 2.202 43 I HA -0.232 3.939 4.170 0.001 0.000 0.242 43 I C 2.888 179.010 176.117 0.009 0.000 1.091 43 I CA 1.563 62.869 61.300 0.010 0.000 1.368 43 I CB -0.252 37.755 38.000 0.012 0.000 1.058 43 I HN 0.486 nan 8.210 nan 0.000 0.410 44 S N 1.331 117.036 115.700 0.009 0.000 2.402 44 S HA -0.117 4.353 4.470 0.001 0.000 0.229 44 S C 2.234 176.838 174.600 0.007 0.000 1.021 44 S CA 0.794 58.998 58.200 0.008 0.000 0.974 44 S CB -0.597 62.607 63.200 0.007 0.000 0.800 44 S HN 0.395 nan 8.310 nan 0.000 0.484 45 A N 1.607 124.430 122.820 0.006 0.000 1.908 45 A HA 0.024 4.345 4.320 0.001 0.000 0.218 45 A C 2.422 180.009 177.584 0.005 0.000 1.181 45 A CA 1.816 53.856 52.037 0.005 0.000 0.627 45 A CB -1.134 17.869 19.000 0.005 0.000 0.818 45 A HN 0.463 nan 8.150 nan 0.000 0.445 46 V N -0.069 119.848 119.914 0.006 0.000 2.379 46 V HA -0.205 3.916 4.120 0.001 0.000 0.245 46 V C 2.518 178.616 176.094 0.006 0.000 1.044 46 V CA 1.726 64.030 62.300 0.006 0.000 1.036 46 V CB -0.721 31.106 31.823 0.006 0.000 0.664 46 V HN 0.559 nan 8.190 nan 0.000 0.453 47 L N -0.075 121.152 121.223 0.007 0.000 2.127 47 L HA -0.210 4.131 4.340 0.001 0.000 0.211 47 L C 2.542 179.415 176.870 0.006 0.000 1.089 47 L CA 1.644 56.488 54.840 0.007 0.000 0.757 47 L CB -0.586 41.478 42.059 0.008 0.000 0.899 47 L HN 0.288 nan 8.230 nan 0.000 0.434 48 K N 0.370 120.773 120.400 0.005 0.000 2.280 48 K HA -0.134 4.186 4.320 0.001 0.000 0.202 48 K C 2.056 178.658 176.600 0.004 0.000 1.047 48 K CA 0.852 57.142 56.287 0.004 0.000 0.942 48 K CB 0.099 32.602 32.500 0.004 0.000 0.739 48 K HN 0.301 nan 8.250 nan 0.000 0.457 49 R N -0.879 119.624 120.500 0.004 0.000 2.235 49 R HA -0.039 4.302 4.340 0.001 0.000 0.213 49 R C 1.127 177.429 176.300 0.004 0.000 1.059 49 R CA 0.817 56.919 56.100 0.004 0.000 0.997 49 R CB 0.064 30.366 30.300 0.004 0.000 0.884 49 R HN 0.441 nan 8.270 nan 0.000 0.462 50 G N 1.222 110.025 108.800 0.004 0.000 2.141 50 G HA2 -0.220 3.741 3.960 0.001 0.000 0.242 50 G HA3 -0.220 3.741 3.960 0.001 0.000 0.242 50 G C 0.234 175.136 174.900 0.004 0.000 0.982 50 G CA 0.345 45.447 45.100 0.004 0.000 0.662 50 G HN 0.275 nan 8.290 nan 0.000 0.527 51 D N -0.725 119.678 120.400 0.005 0.000 2.277 51 D HA 0.096 4.737 4.640 0.001 0.000 0.208 51 D C 1.156 177.459 176.300 0.005 0.000 0.962 51 D CA 0.607 54.610 54.000 0.004 0.000 0.865 51 D CB 0.288 41.090 40.800 0.004 0.000 0.939 51 D HN 0.483 nan 8.370 nan 0.000 0.510 52 L N 0.306 121.532 121.223 0.006 0.000 2.295 52 L HA 0.498 4.839 4.340 0.001 0.000 0.281 52 L C 0.775 177.650 176.870 0.007 0.000 1.018 52 L CA -0.555 54.289 54.840 0.007 0.000 0.841 52 L CB 1.260 43.324 42.059 0.009 0.000 1.218 52 L HN -0.165 nan 8.230 nan 0.000 0.424 53 A N 3.644 126.468 122.820 0.007 0.000 2.167 53 A HA 0.403 4.723 4.320 0.001 0.000 0.214 53 A C 1.577 179.166 177.584 0.008 0.000 1.151 53 A CA 0.677 52.718 52.037 0.006 0.000 0.735 53 A CB -0.683 18.320 19.000 0.005 0.000 0.802 53 A HN 1.655 nan 8.150 nan 0.000 0.467 54 G N -0.718 108.089 108.800 0.010 0.000 2.157 54 G HA2 -0.250 3.711 3.960 0.001 0.000 0.248 54 G HA3 -0.250 3.711 3.960 0.001 0.000 0.248 54 G C 0.180 175.089 174.900 0.015 0.000 0.979 54 G CA 0.392 45.500 45.100 0.014 0.000 0.650 54 G HN 0.581 nan 8.290 nan 0.000 0.529 55 K N 0.760 121.168 120.400 0.012 0.000 2.258 55 K HA 0.355 4.676 4.320 0.001 0.000 0.264 55 K C -2.419 174.192 176.600 0.018 0.000 1.007 55 K CA -1.569 54.725 56.287 0.012 0.000 0.941 55 K CB 0.520 33.025 32.500 0.008 0.000 0.966 55 K HN 0.010 nan 8.250 nan 0.000 0.480 56 P HA -0.063 nan 4.420 nan 0.000 0.264 56 P C 0.580 177.894 177.300 0.024 0.000 1.193 56 P CA 0.926 64.046 63.100 0.033 0.000 0.763 56 P CB 0.558 32.282 31.700 0.039 0.000 0.810 57 G N 1.963 110.778 108.800 0.024 0.000 2.253 57 G HA2 -0.271 3.690 3.960 0.001 0.000 0.251 57 G HA3 -0.271 3.690 3.960 0.001 0.000 0.251 57 G C 0.264 175.167 174.900 0.006 0.000 0.998 57 G CA -0.282 44.823 45.100 0.008 0.000 0.621 57 G HN 0.558 nan 8.290 nan 0.000 0.524 58 Q N 1.190 120.996 119.800 0.010 0.000 2.421 58 Q HA 0.487 4.828 4.340 0.001 0.000 0.255 58 Q C 0.567 176.573 176.000 0.009 0.000 1.013 58 Q CA 1.103 56.910 55.803 0.008 0.000 0.895 58 Q CB 0.665 29.408 28.738 0.009 0.000 1.271 58 Q HN 0.617 nan 8.270 nan 0.000 0.460 59 T N -0.856 113.702 114.554 0.007 0.000 2.903 59 T HA 0.709 5.060 4.350 0.001 0.000 0.299 59 T C -0.997 173.708 174.700 0.007 0.000 1.093 59 T CA -0.920 61.185 62.100 0.008 0.000 1.002 59 T CB 1.101 69.972 68.868 0.005 0.000 1.127 59 T HN 0.503 nan 8.240 nan 0.000 0.488 60 L N 2.383 123.611 121.223 0.009 0.000 2.439 60 L HA 0.714 5.054 4.340 0.001 0.000 0.270 60 L C -1.798 175.077 176.870 0.008 0.000 0.972 60 L CA -1.195 53.650 54.840 0.008 0.000 0.836 60 L CB 1.764 43.828 42.059 0.009 0.000 1.255 60 L HN 0.773 nan 8.230 nan 0.000 0.404 61 L N 5.594 126.821 121.223 0.007 0.000 2.296 61 L HA 0.607 4.948 4.340 0.001 0.000 0.286 61 L C -1.212 175.661 176.870 0.006 0.000 1.023 61 L CA -0.017 54.827 54.840 0.007 0.000 0.812 61 L CB 1.437 43.499 42.059 0.005 0.000 1.223 61 L HN 0.535 nan 8.230 nan 0.000 0.421 62 L N 4.167 125.394 121.223 0.007 0.000 2.334 62 L HA 0.538 4.879 4.340 0.001 0.000 0.272 62 L C 0.109 176.983 176.870 0.006 0.000 1.020 62 L CA -0.951 53.893 54.840 0.007 0.000 0.812 62 L CB 1.582 43.646 42.059 0.008 0.000 1.264 62 L HN 0.583 nan 8.230 nan 0.000 0.439 63 Q N 0.544 120.347 119.800 0.005 0.000 2.177 63 Q HA 0.252 4.593 4.340 0.001 0.000 0.183 63 Q C -0.588 175.415 176.000 0.005 0.000 1.040 63 Q CA -0.760 55.046 55.803 0.005 0.000 1.089 63 Q CB 0.234 28.974 28.738 0.004 0.000 1.130 63 Q HN 0.372 nan 8.270 nan 0.000 0.575 64 N N 0.765 119.468 118.700 0.004 0.000 2.411 64 N HA 0.075 4.815 4.740 0.001 0.000 0.265 64 N C -0.758 174.755 175.510 0.005 0.000 1.266 64 N CA 0.442 53.495 53.050 0.005 0.000 0.889 64 N CB -0.028 38.461 38.487 0.004 0.000 1.069 64 N HN 0.235 nan 8.380 nan 0.000 0.476 65 L N 1.595 122.821 121.223 0.006 0.000 2.322 65 L HA 0.320 4.661 4.340 0.001 0.000 0.281 65 L C 0.535 177.408 176.870 0.005 0.000 1.014 65 L CA -1.138 53.705 54.840 0.006 0.000 0.815 65 L CB 1.463 43.526 42.059 0.007 0.000 1.247 65 L HN 0.357 nan 8.230 nan 0.000 0.421 66 Q N 1.819 121.622 119.800 0.005 0.000 2.283 66 Q HA 0.279 4.620 4.340 0.001 0.000 0.301 66 Q C 0.972 176.975 176.000 0.005 0.000 1.063 66 Q CA 1.611 57.416 55.803 0.005 0.000 0.952 66 Q CB 0.628 29.369 28.738 0.004 0.000 1.166 66 Q HN 0.814 nan 8.270 nan 0.000 0.381 67 G N 2.652 111.455 108.800 0.005 0.000 2.254 67 G HA2 -0.211 3.750 3.960 0.001 0.000 0.225 67 G HA3 -0.211 3.750 3.960 0.001 0.000 0.225 67 G C -0.211 174.693 174.900 0.006 0.000 1.003 67 G CA 0.070 45.173 45.100 0.005 0.000 0.622 67 G HN 0.528 nan 8.290 nan 0.000 0.507 68 L N -0.265 120.962 121.223 0.007 0.000 2.332 68 L HA 0.596 4.936 4.340 0.001 0.000 0.269 68 L C 1.216 178.090 176.870 0.007 0.000 1.016 68 L CA -0.932 53.912 54.840 0.008 0.000 0.809 68 L CB 1.491 43.555 42.059 0.009 0.000 1.280 68 L HN -0.022 nan 8.230 nan 0.000 0.447 69 K N 0.489 120.893 120.400 0.007 0.000 2.358 69 K HA 0.295 4.615 4.320 0.001 0.000 0.197 69 K C 0.136 176.740 176.600 0.006 0.000 1.025 69 K CA -0.167 56.123 56.287 0.006 0.000 1.104 69 K CB 0.956 33.460 32.500 0.005 0.000 0.855 69 K HN 0.619 nan 8.250 nan 0.000 0.531 70 A N 1.434 124.259 122.820 0.008 0.000 2.327 70 A HA 0.135 4.456 4.320 0.001 0.000 0.283 70 A C 0.614 178.202 177.584 0.007 0.000 1.127 70 A CA -0.380 51.662 52.037 0.008 0.000 0.810 70 A CB 0.519 19.525 19.000 0.010 0.000 1.066 70 A HN 0.209 nan 8.150 nan 0.000 0.492 71 E N 0.648 120.851 120.200 0.006 0.000 2.208 71 E HA -0.060 4.290 4.350 0.001 0.000 0.193 71 E C 0.108 176.711 176.600 0.006 0.000 0.988 71 E CA 0.871 57.274 56.400 0.005 0.000 0.828 71 E CB 0.131 29.834 29.700 0.004 0.000 0.763 71 E HN 0.622 nan 8.360 nan 0.000 0.478 72 R N -0.330 120.174 120.500 0.007 0.000 2.668 72 R HA 0.458 4.799 4.340 0.001 0.000 0.272 72 R C -1.539 174.767 176.300 0.009 0.000 1.019 72 R CA -0.604 55.500 56.100 0.007 0.000 0.894 72 R CB 2.564 32.867 30.300 0.006 0.000 1.228 72 R HN -0.183 nan 8.270 nan 0.000 0.460 73 V N 2.975 122.895 119.914 0.010 0.000 2.444 73 V HA 0.340 4.461 4.120 0.001 0.000 0.294 73 V C -0.978 175.124 176.094 0.013 0.000 1.022 73 V CA -0.797 61.511 62.300 0.013 0.000 0.850 73 V CB 1.701 33.532 31.823 0.014 0.000 0.992 73 V HN 0.475 nan 8.190 nan 0.000 0.426 74 L N 6.904 128.136 121.223 0.015 0.000 2.257 74 L HA 0.549 4.890 4.340 0.001 0.000 0.290 74 L C -0.465 176.416 176.870 0.019 0.000 1.044 74 L CA 0.195 55.044 54.840 0.014 0.000 0.810 74 L CB 0.865 42.932 42.059 0.012 0.000 1.193 74 L HN 0.518 nan 8.230 nan 0.000 0.425 75 L N 6.170 127.404 121.223 0.018 0.000 2.290 75 L HA 0.499 4.839 4.340 0.001 0.000 0.284 75 L C -0.280 176.603 176.870 0.022 0.000 1.078 75 L CA -0.575 54.278 54.840 0.021 0.000 0.815 75 L CB 1.442 43.512 42.059 0.018 0.000 1.162 75 L HN 0.437 nan 8.230 nan 0.000 0.435 76 V N 3.122 123.054 119.914 0.029 0.000 2.540 76 V HA 0.660 4.780 4.120 0.001 0.000 0.302 76 V C 0.494 176.610 176.094 0.037 0.000 1.035 76 V CA -0.355 61.962 62.300 0.029 0.000 0.873 76 V CB 1.875 33.715 31.823 0.029 0.000 0.992 76 V HN 0.812 nan 8.190 nan 0.000 0.428 77 G N 3.843 112.662 108.800 0.030 0.000 2.380 77 G HA2 0.339 4.299 3.960 0.001 0.000 0.242 77 G HA3 0.339 4.299 3.960 0.001 0.000 0.242 77 G C 0.738 175.666 174.900 0.047 0.000 1.298 77 G CA 0.350 45.469 45.100 0.032 0.000 0.878 77 G HN 1.419 nan 8.290 nan 0.000 0.542 78 S N 0.998 116.725 115.700 0.046 0.000 2.629 78 S HA 0.515 4.986 4.470 0.001 0.000 0.236 78 S C 1.311 175.933 174.600 0.037 0.000 1.010 78 S CA 0.614 58.849 58.200 0.058 0.000 0.981 78 S CB -0.036 63.198 63.200 0.057 0.000 0.919 78 S HN 2.270 nan 8.310 nan 0.000 0.514 79 G N 2.100 110.915 108.800 0.026 0.000 2.542 79 G HA2 -0.218 3.742 3.960 0.001 0.000 0.235 79 G HA3 -0.218 3.742 3.960 0.001 0.000 0.235 79 G C -0.554 174.350 174.900 0.008 0.000 1.286 79 G CA -0.342 44.768 45.100 0.016 0.000 0.904 79 G HN 0.552 nan 8.290 nan 0.000 0.577 80 K N 0.077 120.478 120.400 0.002 0.000 2.149 80 K HA 0.244 4.565 4.320 0.001 0.000 0.245 80 K C 1.079 177.674 176.600 -0.008 0.000 1.024 80 K CA -0.122 56.164 56.287 -0.003 0.000 0.899 80 K CB 0.250 32.748 32.500 -0.005 0.000 1.038 80 K HN 0.450 nan 8.250 nan 0.000 0.496 81 D N 1.588 121.982 120.400 -0.010 0.000 2.271 81 D HA -0.126 4.515 4.640 0.001 0.000 0.207 81 D C -0.125 176.160 176.300 -0.025 0.000 0.983 81 D CA 1.151 55.141 54.000 -0.017 0.000 0.878 81 D CB 0.136 40.926 40.800 -0.016 0.000 0.920 81 D HN 0.447 nan 8.370 nan 0.000 0.479 82 E N 0.263 120.449 120.200 -0.023 0.000 2.459 82 E HA 0.201 4.551 4.350 0.001 0.000 0.264 82 E C 0.146 176.719 176.600 -0.045 0.000 1.055 82 E CA -0.294 56.088 56.400 -0.030 0.000 0.957 82 E CB 0.592 30.278 29.700 -0.024 0.000 0.952 82 E HN 0.060 nan 8.360 nan 0.000 0.448 83 A N 2.763 125.548 122.820 -0.059 0.000 2.445 83 A HA 0.186 4.507 4.320 0.001 0.000 0.242 83 A C -0.064 177.475 177.584 -0.074 0.000 1.075 83 A CA -0.186 51.797 52.037 -0.090 0.000 0.777 83 A CB 0.156 19.096 19.000 -0.100 0.000 1.013 83 A HN 0.490 nan 8.150 nan 0.000 0.493 84 L N 1.858 123.025 121.223 -0.094 0.000 2.375 84 L HA 0.468 4.809 4.340 0.001 0.000 0.271 84 L C 1.303 178.154 176.870 -0.033 0.000 1.107 84 L CA -0.478 54.340 54.840 -0.038 0.000 0.806 84 L CB 0.964 43.029 42.059 0.010 0.000 1.146 84 L HN 0.886 nan 8.230 nan 0.000 0.447 85 G N 0.321 109.122 108.800 0.001 0.000 2.651 85 G HA2 0.037 3.997 3.960 0.001 0.000 0.260 85 G HA3 0.037 3.997 3.960 0.001 0.000 0.260 85 G C 0.306 175.241 174.900 0.058 0.000 1.216 85 G CA -0.351 44.754 45.100 0.008 0.000 0.913 85 G HN 0.709 nan 8.290 nan 0.000 0.535 86 D N -0.497 119.938 120.400 0.058 0.000 2.117 86 D HA -0.088 4.553 4.640 0.001 0.000 0.197 86 D C 2.474 178.844 176.300 0.117 0.000 0.987 86 D CA 0.780 54.849 54.000 0.115 0.000 0.829 86 D CB 0.043 40.888 40.800 0.075 0.000 0.961 86 D HN 0.278 nan 8.370 nan 0.000 0.460 87 R N 0.280 120.812 120.500 0.055 0.000 2.075 87 R HA -0.024 4.317 4.340 0.001 0.000 0.232 87 R C 2.147 178.473 176.300 0.044 0.000 1.126 87 R CA 1.464 57.581 56.100 0.028 0.000 0.963 87 R CB -0.896 29.397 30.300 -0.011 0.000 0.858 87 R HN 0.074 nan 8.270 nan 0.000 0.435 88 T N -0.066 114.527 114.554 0.065 0.000 2.746 88 T HA -0.175 4.176 4.350 0.001 0.000 0.267 88 T C 1.382 176.171 174.700 0.147 0.000 1.039 88 T CA 1.303 63.449 62.100 0.077 0.000 1.142 88 T CB -0.450 68.458 68.868 0.067 0.000 0.866 88 T HN 0.499 nan 8.240 nan 0.000 0.444 89 W N 2.401 123.673 121.300 -0.047 0.000 2.335 89 W HA -0.205 4.455 4.660 0.001 0.000 0.311 89 W C 2.175 178.664 176.519 -0.051 0.000 1.213 89 W CA 0.975 58.285 57.345 -0.058 0.000 1.274 89 W CB -0.157 29.256 29.460 -0.078 0.000 1.148 89 W HN 0.183 nan 8.180 nan 0.000 0.498 90 R N 0.328 120.773 120.500 -0.091 0.000 2.115 90 R HA -0.128 4.212 4.340 0.001 0.000 0.230 90 R C 2.254 178.441 176.300 -0.189 0.000 1.111 90 R CA 1.578 57.522 56.100 -0.259 0.000 0.976 90 R CB -0.402 29.823 30.300 -0.125 0.000 0.870 90 R HN 0.196 nan 8.270 nan 0.000 0.445 91 K N 0.827 121.174 120.400 -0.087 0.000 2.097 91 K HA -0.104 4.217 4.320 0.001 0.000 0.205 91 K C 2.136 178.686 176.600 -0.083 0.000 1.050 91 K CA 0.879 57.127 56.287 -0.066 0.000 0.938 91 K CB -0.145 32.340 32.500 -0.025 0.000 0.718 91 K HN 0.164 nan 8.250 nan 0.000 0.442 92 L N 0.871 122.043 121.223 -0.084 0.000 2.046 92 L HA -0.176 4.165 4.340 0.001 0.000 0.208 92 L C 2.073 178.838 176.870 -0.174 0.000 1.077 92 L CA 1.083 55.877 54.840 -0.076 0.000 0.747 92 L CB -0.101 41.966 42.059 0.014 0.000 0.896 92 L HN -0.072 nan 8.230 nan 0.000 0.432 93 V N 0.367 120.073 119.914 -0.346 0.000 2.295 93 V HA -0.268 3.853 4.120 0.001 0.000 0.246 93 V C 2.840 178.809 176.094 -0.207 0.000 1.049 93 V CA 1.704 63.779 62.300 -0.376 0.000 1.024 93 V CB -0.989 30.480 31.823 -0.592 0.000 0.648 93 V HN 0.607 nan 8.190 nan 0.000 0.447 94 A N -0.639 122.079 122.820 -0.170 0.000 1.972 94 A HA -0.188 4.133 4.320 0.001 0.000 0.219 94 A C 2.466 180.009 177.584 -0.067 0.000 1.169 94 A CA 2.100 54.077 52.037 -0.099 0.000 0.635 94 A CB -0.565 18.388 19.000 -0.077 0.000 0.810 94 A HN 0.508 nan 8.150 nan 0.000 0.446 95 S N -0.470 115.190 115.700 -0.067 0.000 2.368 95 S HA -0.117 4.354 4.470 0.001 0.000 0.224 95 S C 1.917 176.495 174.600 -0.037 0.000 1.029 95 S CA 1.340 59.516 58.200 -0.040 0.000 0.988 95 S CB -0.439 62.742 63.200 -0.032 0.000 0.838 95 S HN 0.362 nan 8.310 nan 0.000 0.462 96 V N 2.220 122.103 119.914 -0.051 0.000 2.255 96 V HA -0.252 3.868 4.120 0.001 0.000 0.247 96 V C 2.693 178.767 176.094 -0.033 0.000 1.051 96 V CA 1.865 64.142 62.300 -0.038 0.000 1.018 96 V CB -1.281 30.513 31.823 -0.050 0.000 0.641 96 V HN 0.548 nan 8.190 nan 0.000 0.445 97 A N 0.423 123.215 122.820 -0.046 0.000 1.940 97 A HA -0.146 4.175 4.320 0.001 0.000 0.219 97 A C 2.428 180.001 177.584 -0.019 0.000 1.176 97 A CA 2.103 54.121 52.037 -0.032 0.000 0.631 97 A CB -1.342 17.635 19.000 -0.039 0.000 0.814 97 A HN 0.564 nan 8.150 nan 0.000 0.446 98 G N -0.472 108.316 108.800 -0.019 0.000 2.476 98 G HA2 -0.197 3.763 3.960 0.001 0.000 0.218 98 G HA3 -0.197 3.763 3.960 0.001 0.000 0.218 98 G C 1.542 176.438 174.900 -0.007 0.000 1.164 98 G CA 1.431 46.525 45.100 -0.010 0.000 0.768 98 G HN 0.348 nan 8.290 nan 0.000 0.560 99 V N 1.076 120.985 119.914 -0.009 0.000 2.295 99 V HA -0.128 3.992 4.120 0.001 0.000 0.246 99 V C 2.947 179.039 176.094 -0.004 0.000 1.049 99 V CA 1.618 63.915 62.300 -0.005 0.000 1.024 99 V CB -0.508 31.313 31.823 -0.004 0.000 0.648 99 V HN 0.364 nan 8.190 nan 0.000 0.447 100 L N -0.295 120.925 121.223 -0.005 0.000 2.079 100 L HA -0.215 4.126 4.340 0.001 0.000 0.210 100 L C 2.597 179.466 176.870 -0.002 0.000 1.081 100 L CA 1.645 56.483 54.840 -0.003 0.000 0.752 100 L CB -0.778 41.279 42.059 -0.004 0.000 0.896 100 L HN 0.338 nan 8.230 nan 0.000 0.433 101 K N 0.128 120.526 120.400 -0.003 0.000 2.147 101 K HA -0.089 4.231 4.320 0.001 0.000 0.205 101 K C 2.043 178.642 176.600 -0.001 0.000 1.049 101 K CA 1.388 57.674 56.287 -0.001 0.000 0.936 101 K CB -0.406 32.094 32.500 0.000 0.000 0.722 101 K HN 0.416 nan 8.250 nan 0.000 0.446 102 G N 1.266 110.065 108.800 -0.001 0.000 2.712 102 G HA2 0.035 3.996 3.960 0.001 0.000 0.212 102 G HA3 0.035 3.996 3.960 0.001 0.000 0.212 102 G C 0.731 175.631 174.900 -0.001 0.000 1.142 102 G CA -0.041 45.059 45.100 -0.001 0.000 0.789 102 G HN -0.005 nan 8.290 nan 0.000 0.535 103 L N -0.229 120.994 121.223 -0.001 0.000 2.439 103 L HA 0.321 4.661 4.340 0.001 0.000 0.259 103 L C 0.663 177.532 176.870 -0.001 0.000 1.129 103 L CA -0.771 54.069 54.840 -0.001 0.000 0.803 103 L CB 0.978 43.037 42.059 0.000 0.000 1.161 103 L HN -0.068 nan 8.230 nan 0.000 0.462 104 N N 0.366 119.066 118.700 -0.001 0.000 2.451 104 N HA 0.147 4.887 4.740 0.001 0.000 0.264 104 N C -0.199 175.310 175.510 -0.001 0.000 1.167 104 N CA -0.178 52.871 53.050 -0.002 0.000 0.898 104 N CB 0.263 38.749 38.487 -0.002 0.000 1.176 104 N HN 0.688 nan 8.380 nan 0.000 0.507 105 G N -1.037 107.763 108.800 -0.000 0.000 2.332 105 G HA2 0.510 4.471 3.960 0.001 0.000 0.310 105 G HA3 0.510 4.471 3.960 0.001 0.000 0.310 105 G C 0.739 175.640 174.900 0.000 0.000 1.123 105 G CA -0.388 44.712 45.100 0.001 0.000 0.873 105 G HN 0.288 nan 8.290 nan 0.000 0.460 106 A N 1.953 124.773 122.820 0.000 0.000 2.119 106 A HA 0.273 4.594 4.320 0.001 0.000 0.217 106 A C 1.002 178.587 177.584 0.001 0.000 1.153 106 A CA 1.499 53.536 52.037 0.000 0.000 0.692 106 A CB -0.202 18.798 19.000 -0.000 0.000 0.799 106 A HN 0.760 nan 8.150 nan 0.000 0.458 107 D N -3.438 116.963 120.400 0.002 0.000 2.677 107 D HA 0.672 5.313 4.640 0.001 0.000 0.298 107 D C -0.736 175.567 176.300 0.005 0.000 1.250 107 D CA 0.077 54.080 54.000 0.004 0.000 0.888 107 D CB 0.877 41.679 40.800 0.004 0.000 1.397 107 D HN 0.486 nan 8.370 nan 0.000 0.461 108 A N -0.641 122.183 122.820 0.007 0.000 2.606 108 A HA 0.651 4.972 4.320 0.001 0.000 0.293 108 A C -1.748 175.845 177.584 0.014 0.000 1.082 108 A CA -0.712 51.332 52.037 0.011 0.000 0.685 108 A CB 1.797 20.803 19.000 0.010 0.000 1.284 108 A HN 0.567 nan 8.150 nan 0.000 0.408 109 V N 1.670 121.596 119.914 0.019 0.000 2.444 109 V HA 0.459 4.580 4.120 0.001 0.000 0.294 109 V C -1.137 174.980 176.094 0.038 0.000 1.022 109 V CA -0.417 61.898 62.300 0.025 0.000 0.850 109 V CB 1.190 33.026 31.823 0.022 0.000 0.992 109 V HN 0.668 nan 8.190 nan 0.000 0.426 110 L N 4.397 125.652 121.223 0.053 0.000 2.264 110 L HA 0.713 5.054 4.340 0.001 0.000 0.289 110 L C 0.604 177.537 176.870 0.105 0.000 1.044 110 L CA -0.052 54.838 54.840 0.084 0.000 0.807 110 L CB 1.354 43.479 42.059 0.110 0.000 1.192 110 L HN 0.744 nan 8.230 nan 0.000 0.425 111 A N 5.258 128.140 122.820 0.104 0.000 3.150 111 A HA 0.574 4.895 4.320 0.001 0.000 0.328 111 A C 0.327 177.991 177.584 0.133 0.000 1.104 111 A CA -0.237 51.864 52.037 0.107 0.000 0.937 111 A CB -0.368 18.674 19.000 0.070 0.000 1.073 111 A HN 0.716 nan 8.150 nan 0.000 0.497 112 L N -0.086 121.259 121.223 0.204 0.000 2.928 112 L HA 0.159 4.499 4.340 0.001 0.000 0.246 112 L C 1.288 178.280 176.870 0.203 0.000 1.239 112 L CA -0.046 54.930 54.840 0.226 0.000 1.035 112 L CB 0.209 42.478 42.059 0.351 0.000 1.360 112 L HN 0.566 nan 8.230 nan 0.000 0.529 113 D N 0.909 121.420 120.400 0.184 0.000 2.182 113 D HA -0.224 4.417 4.640 0.001 0.000 0.201 113 D C 1.530 177.855 176.300 0.041 0.000 0.986 113 D CA 1.374 55.464 54.000 0.149 0.000 0.847 113 D CB 0.357 41.238 40.800 0.135 0.000 0.942 113 D HN 0.200 nan 8.370 nan 0.000 0.467 114 D N -0.607 119.811 120.400 0.030 0.000 2.312 114 D HA -0.029 4.612 4.640 0.001 0.000 0.211 114 D C 0.022 176.284 176.300 -0.064 0.000 0.964 114 D CA 0.164 54.158 54.000 -0.011 0.000 0.877 114 D CB 0.211 41.015 40.800 0.007 0.000 0.924 114 D HN 0.081 nan 8.370 nan 0.000 0.515 115 V N 1.654 121.511 119.914 -0.095 0.000 2.439 115 V HA 0.297 4.418 4.120 0.001 0.000 0.271 115 V C 0.639 176.528 176.094 -0.342 0.000 1.040 115 V CA -0.735 61.453 62.300 -0.188 0.000 1.002 115 V CB 0.620 32.339 31.823 -0.173 0.000 1.000 115 V HN 0.055 nan 8.190 nan 0.000 0.477 116 A N 5.660 128.322 122.820 -0.264 0.000 2.327 116 A HA 0.703 5.023 4.320 0.001 0.000 0.283 116 A C -0.377 176.983 177.584 -0.373 0.000 1.127 116 A CA -0.371 51.490 52.037 -0.294 0.000 0.810 116 A CB 0.866 19.758 19.000 -0.180 0.000 1.066 116 A HN 0.655 nan 8.150 nan 0.000 0.492 117 V N 3.114 122.771 119.914 -0.428 0.000 2.487 117 V HA 0.195 4.316 4.120 0.001 0.000 0.298 117 V C 0.146 176.101 176.094 -0.231 0.000 1.028 117 V CA -0.955 61.094 62.300 -0.417 0.000 0.860 117 V CB 1.574 32.983 31.823 -0.690 0.000 0.991 117 V HN 0.976 nan 8.190 nan 0.000 0.427 118 N N 4.064 122.674 118.700 -0.150 0.000 2.411 118 N HA -0.006 4.735 4.740 0.001 0.000 0.261 118 N C 0.834 176.300 175.510 -0.073 0.000 1.248 118 N CA 1.009 54.005 53.050 -0.092 0.000 0.885 118 N CB -0.204 38.247 38.487 -0.059 0.000 1.062 118 N HN 0.762 nan 8.380 nan 0.000 0.471 119 N N 0.938 119.603 118.700 -0.059 0.000 2.753 119 N HA -0.236 4.505 4.740 0.001 0.000 0.251 119 N C -1.339 174.151 175.510 -0.034 0.000 1.097 119 N CA 1.000 54.029 53.050 -0.035 0.000 0.786 119 N CB -0.566 37.913 38.487 -0.014 0.000 1.137 119 N HN 0.641 nan 8.380 nan 0.000 0.566 120 R N 0.503 120.961 120.500 -0.069 0.000 2.561 120 R HA 0.246 4.586 4.340 0.001 0.000 0.297 120 R C -0.722 175.531 176.300 -0.079 0.000 0.969 120 R CA -0.690 55.374 56.100 -0.060 0.000 0.879 120 R CB 1.129 31.371 30.300 -0.096 0.000 1.178 120 R HN 0.259 nan 8.270 nan 0.000 0.445 121 D N 1.582 121.971 120.400 -0.017 0.000 2.400 121 D HA 0.002 4.642 4.640 0.001 0.000 0.238 121 D C 0.870 177.112 176.300 -0.097 0.000 1.157 121 D CA -0.286 53.698 54.000 -0.027 0.000 0.889 121 D CB 0.830 41.664 40.800 0.057 0.000 1.199 121 D HN 0.520 nan 8.370 nan 0.000 0.436 122 A N 1.518 124.206 122.820 -0.221 0.000 2.225 122 A HA -0.172 4.149 4.320 0.001 0.000 0.215 122 A C 1.265 178.618 177.584 -0.385 0.000 1.164 122 A CA 1.106 52.901 52.037 -0.403 0.000 0.710 122 A CB -0.552 18.108 19.000 -0.567 0.000 0.780 122 A HN 0.711 nan 8.150 nan 0.000 0.473 123 H N -4.370 114.819 119.070 0.199 0.000 2.258 123 H HA 0.107 4.664 4.556 0.002 0.000 0.250 123 H C 1.668 177.202 175.328 0.343 0.000 0.908 123 H CA 1.107 57.334 56.048 0.299 0.000 1.096 123 H CB -0.415 29.453 29.762 0.176 0.000 1.422 123 H HN 0.514 nan 8.280 nan 0.000 0.469 124 Y N 1.606 122.057 120.300 0.252 0.000 2.190 124 Y HA 0.142 4.692 4.550 0.001 0.000 0.290 124 Y C 2.596 178.592 175.900 0.160 0.000 1.115 124 Y CA 1.672 59.884 58.100 0.187 0.000 1.107 124 Y CB -0.465 38.070 38.460 0.125 0.000 1.033 124 Y HN 0.137 nan 8.280 nan 0.000 0.502 125 G N 0.332 109.223 108.800 0.152 0.000 2.408 125 G HA2 -0.262 3.698 3.960 0.001 0.000 0.217 125 G HA3 -0.262 3.698 3.960 0.001 0.000 0.217 125 G C 1.676 176.557 174.900 -0.032 0.000 1.150 125 G CA 0.896 46.009 45.100 0.021 0.000 0.776 125 G HN 0.403 nan 8.290 nan 0.000 0.542 126 K N -0.622 119.736 120.400 -0.071 0.000 2.057 126 K HA -0.119 4.201 4.320 0.001 0.000 0.207 126 K C 2.044 178.610 176.600 -0.057 0.000 1.049 126 K CA 1.212 57.378 56.287 -0.202 0.000 0.931 126 K CB -0.324 31.879 32.500 -0.496 0.000 0.714 126 K HN 0.392 nan 8.250 nan 0.000 0.440 127 Y N 0.524 120.887 120.300 0.105 0.000 2.475 127 Y HA 0.093 4.644 4.550 0.002 0.000 0.289 127 Y C 2.320 178.217 175.900 -0.006 0.000 1.121 127 Y CA 0.224 58.391 58.100 0.111 0.000 1.257 127 Y CB 0.138 38.649 38.460 0.084 0.000 1.026 127 Y HN -0.018 nan 8.280 nan 0.000 0.555 128 R N -0.073 120.397 120.500 -0.050 0.000 2.113 128 R HA -0.199 4.141 4.340 0.001 0.000 0.244 128 R C 1.877 178.174 176.300 -0.004 0.000 1.142 128 R CA 1.376 57.405 56.100 -0.118 0.000 0.953 128 R CB -0.928 29.219 30.300 -0.255 0.000 0.860 128 R HN 0.326 nan 8.270 nan 0.000 0.438 129 L N 0.375 121.628 121.223 0.050 0.000 2.095 129 L HA -0.047 4.294 4.340 0.001 0.000 0.204 129 L C 2.477 179.321 176.870 -0.044 0.000 1.080 129 L CA 1.021 55.889 54.840 0.047 0.000 0.759 129 L CB -0.787 41.369 42.059 0.163 0.000 0.914 129 L HN 0.136 nan 8.230 nan 0.000 0.439 130 L N -0.736 120.471 121.223 -0.026 0.000 2.017 130 L HA -0.190 4.151 4.340 0.001 0.000 0.208 130 L C 2.490 179.323 176.870 -0.061 0.000 1.073 130 L CA 1.651 56.373 54.840 -0.196 0.000 0.745 130 L CB -0.311 41.680 42.059 -0.113 0.000 0.894 130 L HN 0.219 nan 8.230 nan 0.000 0.432 131 A N -0.614 122.233 122.820 0.045 0.000 1.930 131 A HA -0.252 4.069 4.320 0.001 0.000 0.217 131 A C 2.232 179.822 177.584 0.009 0.000 1.175 131 A CA 1.653 53.716 52.037 0.043 0.000 0.627 131 A CB -0.635 18.405 19.000 0.067 0.000 0.815 131 A HN 0.643 nan 8.150 nan 0.000 0.443 132 E N -0.650 119.550 120.200 0.000 0.000 2.077 132 E HA -0.156 4.195 4.350 0.001 0.000 0.193 132 E C 1.917 178.505 176.600 -0.020 0.000 0.989 132 E CA 1.622 58.021 56.400 -0.002 0.000 0.800 132 E CB -0.139 29.561 29.700 -0.000 0.000 0.746 132 E HN 0.529 nan 8.360 nan 0.000 0.452 133 T N 1.435 115.955 114.554 -0.056 0.000 2.746 133 T HA -0.163 4.188 4.350 0.001 0.000 0.267 133 T C 1.735 176.400 174.700 -0.057 0.000 1.039 133 T CA 1.105 63.160 62.100 -0.076 0.000 1.142 133 T CB -0.254 68.526 68.868 -0.147 0.000 0.866 133 T HN 0.109 nan 8.240 nan 0.000 0.444 134 L N 0.597 121.784 121.223 -0.060 0.000 2.046 134 L HA 0.075 4.416 4.340 0.001 0.000 0.208 134 L C 2.022 178.892 176.870 -0.001 0.000 1.077 134 L CA 1.626 56.446 54.840 -0.035 0.000 0.747 134 L CB -0.536 41.506 42.059 -0.029 0.000 0.896 134 L HN 0.263 nan 8.230 nan 0.000 0.432 135 L N -1.434 119.796 121.223 0.012 0.000 2.168 135 L HA -0.048 4.292 4.340 0.001 0.000 0.203 135 L C 2.124 179.027 176.870 0.055 0.000 1.078 135 L CA 0.996 55.857 54.840 0.034 0.000 0.780 135 L CB -0.532 41.550 42.059 0.038 0.000 0.939 135 L HN 0.209 nan 8.230 nan 0.000 0.451 136 D N 0.430 120.855 120.400 0.042 0.000 2.178 136 D HA -0.141 4.500 4.640 0.001 0.000 0.201 136 D C 2.088 178.437 176.300 0.081 0.000 0.980 136 D CA 1.230 55.264 54.000 0.056 0.000 0.842 136 D CB 0.056 40.863 40.800 0.013 0.000 0.948 136 D HN 0.203 nan 8.370 nan 0.000 0.472 137 G N -0.380 108.450 108.800 0.050 0.000 2.679 137 G HA2 -0.151 3.810 3.960 0.001 0.000 0.212 137 G HA3 -0.151 3.810 3.960 0.001 0.000 0.212 137 G C 1.320 176.266 174.900 0.076 0.000 1.137 137 G CA 0.071 45.204 45.100 0.055 0.000 0.787 137 G HN 0.176 nan 8.290 nan 0.000 0.534 138 E N -0.370 119.879 120.200 0.083 0.000 2.427 138 E HA -0.016 4.335 4.350 0.001 0.000 0.196 138 E C 0.164 176.822 176.600 0.096 0.000 1.028 138 E CA -0.456 55.986 56.400 0.071 0.000 0.864 138 E CB -0.158 29.575 29.700 0.055 0.000 0.813 138 E HN 0.591 nan 8.360 nan 0.000 0.514 139 Y N 1.076 121.396 120.300 0.033 0.000 2.717 139 Y HA 0.001 4.551 4.550 0.001 0.000 0.330 139 Y C -0.185 175.753 175.900 0.064 0.000 1.217 139 Y CA 0.223 58.355 58.100 0.053 0.000 1.506 139 Y CB 0.454 38.944 38.460 0.050 0.000 1.268 139 Y HN -0.335 nan 8.280 nan 0.000 0.561 140 V N 7.960 127.514 119.914 -0.600 0.000 2.709 140 V HA 0.309 4.430 4.120 0.001 0.000 0.308 140 V C -1.268 174.506 176.094 -0.534 0.000 1.062 140 V CA -1.055 61.007 62.300 -0.397 0.000 0.901 140 V CB 1.849 33.556 31.823 -0.193 0.000 1.003 140 V HN 0.657 nan 8.190 nan 0.000 0.425 141 F N 4.767 124.484 119.950 -0.389 0.000 2.686 141 F HA 0.453 4.980 4.527 0.001 0.000 0.365 141 F C 0.324 176.079 175.800 -0.075 0.000 1.196 141 F CA -0.636 57.241 58.000 -0.205 0.000 1.198 141 F CB 0.927 39.935 39.000 0.014 0.000 1.454 141 F HN 0.658 nan 8.300 nan 0.000 0.539 142 D N 2.475 122.703 120.400 -0.287 0.000 2.462 142 D HA 0.055 4.695 4.640 0.001 0.000 0.221 142 D C 1.791 177.869 176.300 -0.371 0.000 1.173 142 D CA -0.219 53.642 54.000 -0.232 0.000 0.831 142 D CB -0.221 40.496 40.800 -0.138 0.000 1.001 142 D HN 0.545 nan 8.370 nan 0.000 0.499 143 R N 0.114 120.205 120.500 -0.681 0.000 2.117 143 R HA -0.115 4.225 4.340 0.001 0.000 0.243 143 R C 0.531 176.345 176.300 -0.811 0.000 1.143 143 R CA 1.308 56.915 56.100 -0.820 0.000 0.968 143 R CB -0.341 29.202 30.300 -1.262 0.000 0.863 143 R HN 0.159 nan 8.270 nan 0.000 0.444 144 F N 0.519 120.290 119.950 -0.297 0.000 2.641 144 F HA 0.291 4.819 4.527 0.001 0.000 0.302 144 F C 0.241 175.974 175.800 -0.112 0.000 1.098 144 F CA -0.317 57.584 58.000 -0.164 0.000 1.318 144 F CB 0.525 39.454 39.000 -0.118 0.000 1.035 144 F HN -0.292 nan 8.300 nan 0.000 0.551 145 K N 0.677 121.057 120.400 -0.033 0.000 2.130 145 K HA 0.404 4.724 4.320 0.001 0.000 0.268 145 K C 0.340 176.914 176.600 -0.043 0.000 0.983 145 K CA -0.152 56.127 56.287 -0.014 0.000 0.893 145 K CB 1.716 34.199 32.500 -0.028 0.000 1.066 145 K HN -0.062 nan 8.250 nan 0.000 0.450 151 P HA 0.084 nan 4.420 nan 0.000 0.264 151 P C -0.587 176.703 177.300 -0.017 0.000 1.183 151 P CA 0.163 63.248 63.100 -0.024 0.000 0.763 151 P CB 0.523 32.209 31.700 -0.024 0.000 0.807 152 R N 1.096 121.588 120.500 -0.014 0.000 2.532 152 R HA 0.480 4.821 4.340 0.001 0.000 0.272 152 R C 1.256 177.552 176.300 -0.007 0.000 1.032 152 R CA -0.424 55.670 56.100 -0.009 0.000 1.089 152 R CB 1.034 31.330 30.300 -0.007 0.000 1.098 152 R HN 0.485 nan 8.270 nan 0.000 0.526 153 A N 2.478 125.294 122.820 -0.006 0.000 1.968 153 A HA -0.053 4.267 4.320 0.001 0.000 0.217 153 A C 0.779 178.361 177.584 -0.003 0.000 1.169 153 A CA 0.558 52.593 52.037 -0.005 0.000 0.638 153 A CB -0.197 18.800 19.000 -0.004 0.000 0.812 153 A HN 0.478 nan 8.150 nan 0.000 0.446 154 L N 0.450 121.672 121.223 -0.002 0.000 2.456 154 L HA 0.171 4.512 4.340 0.001 0.000 0.277 154 L C 0.720 177.590 176.870 0.001 0.000 1.124 154 L CA 0.299 55.139 54.840 0.000 0.000 0.880 154 L CB 0.428 42.488 42.059 0.001 0.000 1.192 154 L HN 0.034 nan 8.230 nan 0.000 0.463 155 K N 3.938 124.339 120.400 0.001 0.000 2.391 155 K HA 0.222 4.543 4.320 0.001 0.000 0.197 155 K C -0.060 176.542 176.600 0.004 0.000 1.087 155 K CA 0.229 56.517 56.287 0.002 0.000 1.012 155 K CB 0.505 33.005 32.500 0.001 0.000 0.925 155 K HN 0.538 nan 8.250 nan 0.000 0.547 156 K N 0.688 121.091 120.400 0.004 0.000 2.523 156 K HA 0.365 4.686 4.320 0.001 0.000 0.257 156 K C -1.626 174.978 176.600 0.006 0.000 0.932 156 K CA -0.473 55.817 56.287 0.005 0.000 0.812 156 K CB 2.293 34.795 32.500 0.003 0.000 1.326 156 K HN -0.274 nan 8.250 nan 0.000 0.433 157 V N 2.422 122.340 119.914 0.007 0.000 2.588 157 V HA 0.409 4.530 4.120 0.001 0.000 0.304 157 V C -0.699 175.400 176.094 0.008 0.000 1.042 157 V CA -0.644 61.662 62.300 0.010 0.000 0.877 157 V CB 2.169 34.000 31.823 0.013 0.000 0.996 157 V HN 0.867 nan 8.190 nan 0.000 0.425 158 T N 6.297 120.855 114.554 0.008 0.000 2.771 158 T HA 0.615 4.966 4.350 0.001 0.000 0.281 158 T C -0.351 174.353 174.700 0.006 0.000 0.982 158 T CA -0.285 61.815 62.100 0.001 0.000 0.978 158 T CB 0.740 69.608 68.868 -0.000 0.000 0.930 158 T HN 0.351 nan 8.240 nan 0.000 0.447 159 L N 4.076 125.288 121.223 -0.017 0.000 2.275 159 L HA 0.524 4.865 4.340 0.001 0.000 0.288 159 L C -0.248 176.588 176.870 -0.056 0.000 1.046 159 L CA -0.853 53.970 54.840 -0.028 0.000 0.805 159 L CB 0.844 42.825 42.059 -0.131 0.000 1.193 159 L HN 0.371 nan 8.230 nan 0.000 0.426 160 L N 3.391 124.609 121.223 -0.008 0.000 2.307 160 L HA 0.810 5.151 4.340 0.001 0.000 0.282 160 L C 0.144 177.013 176.870 -0.002 0.000 1.051 160 L CA -0.215 54.621 54.840 -0.007 0.000 0.804 160 L CB 1.587 43.662 42.059 0.027 0.000 1.197 160 L HN 0.777 nan 8.230 nan 0.000 0.431 161 A N 1.707 124.515 122.820 -0.020 0.000 2.569 161 A HA 0.612 4.932 4.320 0.001 0.000 0.290 161 A C -1.512 176.083 177.584 0.018 0.000 1.136 161 A CA -0.778 51.276 52.037 0.030 0.000 0.710 161 A CB 1.427 20.422 19.000 -0.009 0.000 1.303 161 A HN 0.710 nan 8.150 nan 0.000 0.413 162 D N 0.097 120.531 120.400 0.056 0.000 2.382 162 D HA 0.129 4.769 4.640 0.001 0.000 0.240 162 D C 0.662 176.931 176.300 -0.052 0.000 1.146 162 D CA -0.316 53.694 54.000 0.017 0.000 0.897 162 D CB 0.902 41.735 40.800 0.055 0.000 1.197 162 D HN 0.475 nan 8.370 nan 0.000 0.432 163 K N 1.572 121.947 120.400 -0.042 0.000 2.160 163 K HA -0.181 4.140 4.320 0.001 0.000 0.206 163 K C 1.851 178.395 176.600 -0.092 0.000 1.047 163 K CA 1.800 58.051 56.287 -0.060 0.000 0.930 163 K CB -0.705 31.773 32.500 -0.036 0.000 0.720 163 K HN 0.523 nan 8.250 nan 0.000 0.450 164 A N -0.286 122.479 122.820 -0.091 0.000 1.902 164 A HA -0.043 4.278 4.320 0.001 0.000 0.217 164 A C 2.287 179.733 177.584 -0.230 0.000 1.181 164 A CA 1.812 53.785 52.037 -0.107 0.000 0.623 164 A CB -1.038 17.935 19.000 -0.046 0.000 0.818 164 A HN 0.466 nan 8.150 nan 0.000 0.443 165 G N -1.450 107.073 108.800 -0.462 0.000 2.985 165 G HA2 0.072 4.033 3.960 0.001 0.000 0.209 165 G HA3 0.072 4.033 3.960 0.001 0.000 0.209 165 G C 1.308 175.895 174.900 -0.521 0.000 1.165 165 G CA 0.719 45.193 45.100 -1.044 0.000 0.776 165 G HN 0.626 nan 8.290 nan 0.000 0.541 166 Q N 0.440 120.077 119.800 -0.272 0.000 2.061 166 Q HA -0.069 4.272 4.340 0.001 0.000 0.204 166 Q C 2.656 178.586 176.000 -0.117 0.000 0.984 166 Q CA 1.891 57.597 55.803 -0.162 0.000 0.846 166 Q CB -0.252 28.421 28.738 -0.110 0.000 0.902 166 Q HN 0.363 nan 8.270 nan 0.000 0.421 167 A N 0.383 123.144 122.820 -0.100 0.000 1.929 167 A HA -0.147 4.173 4.320 0.001 0.000 0.216 167 A C 1.877 179.444 177.584 -0.027 0.000 1.176 167 A CA 1.344 53.346 52.037 -0.058 0.000 0.628 167 A CB -0.379 18.592 19.000 -0.049 0.000 0.816 167 A HN 0.386 nan 8.150 nan 0.000 0.444 168 E N 0.027 120.218 120.200 -0.015 0.000 2.106 168 E HA -0.090 4.260 4.350 0.001 0.000 0.192 168 E C 2.188 178.887 176.600 0.166 0.000 0.984 168 E CA 1.239 57.703 56.400 0.107 0.000 0.806 168 E CB -0.577 29.224 29.700 0.168 0.000 0.750 168 E HN 0.402 nan 8.360 nan 0.000 0.458 169 V N 1.627 121.577 119.914 0.061 0.000 2.407 169 V HA -0.229 3.892 4.120 0.001 0.000 0.248 169 V C 2.138 178.219 176.094 -0.021 0.000 1.055 169 V CA 1.745 64.043 62.300 -0.002 0.000 1.049 169 V CB -0.515 31.167 31.823 -0.234 0.000 0.662 169 V HN 0.233 nan 8.190 nan 0.000 0.455 170 E N -0.082 120.096 120.200 -0.036 0.000 2.110 170 E HA -0.252 4.098 4.350 0.001 0.000 0.193 170 E C 2.428 179.008 176.600 -0.033 0.000 0.988 170 E CA 1.243 57.621 56.400 -0.036 0.000 0.804 170 E CB -0.192 29.483 29.700 -0.041 0.000 0.745 170 E HN 0.458 nan 8.360 nan 0.000 0.458 171 R N 0.590 121.082 120.500 -0.014 0.000 2.081 171 R HA -0.134 4.207 4.340 0.001 0.000 0.235 171 R C 2.294 178.543 176.300 -0.084 0.000 1.131 171 R CA 1.267 57.315 56.100 -0.086 0.000 0.960 171 R CB -0.195 30.091 30.300 -0.023 0.000 0.856 171 R HN 0.145 nan 8.270 nan 0.000 0.436 172 A N 0.201 123.063 122.820 0.069 0.000 1.883 172 A HA -0.144 4.176 4.320 0.001 0.000 0.217 172 A C 2.264 179.817 177.584 -0.052 0.000 1.186 172 A CA 1.787 53.732 52.037 -0.153 0.000 0.624 172 A CB -0.711 18.188 19.000 -0.168 0.000 0.822 172 A HN 0.235 nan 8.150 nan 0.000 0.444 173 V N 0.333 120.240 119.914 -0.013 0.000 2.343 173 V HA -0.286 3.835 4.120 0.001 0.000 0.247 173 V C 2.571 178.676 176.094 0.017 0.000 1.051 173 V CA 2.439 64.744 62.300 0.008 0.000 1.036 173 V CB -0.663 31.159 31.823 -0.001 0.000 0.654 173 V HN 0.723 nan 8.190 nan 0.000 0.451 174 K N -0.587 119.806 120.400 -0.011 0.000 2.032 174 K HA -0.228 4.093 4.320 0.001 0.000 0.209 174 K C 2.109 178.793 176.600 0.140 0.000 1.048 174 K CA 2.086 58.389 56.287 0.028 0.000 0.927 174 K CB -0.281 32.205 32.500 -0.024 0.000 0.712 174 K HN 0.668 nan 8.250 nan 0.000 0.441 175 H N -0.926 118.188 119.070 0.074 0.000 2.363 175 H HA -0.006 4.551 4.556 0.001 0.000 0.301 175 H C 2.103 177.451 175.328 0.032 0.000 1.074 175 H CA 0.575 56.664 56.048 0.068 0.000 1.354 175 H CB 0.087 29.928 29.762 0.131 0.000 1.397 175 H HN 0.376 nan 8.280 nan 0.000 0.516 176 A N 0.640 123.543 122.820 0.140 0.000 1.933 176 A HA -0.186 4.135 4.320 0.001 0.000 0.218 176 A C 2.451 180.073 177.584 0.063 0.000 1.175 176 A CA 1.779 53.858 52.037 0.070 0.000 0.628 176 A CB -0.544 18.479 19.000 0.038 0.000 0.814 176 A HN 0.278 nan 8.150 nan 0.000 0.444 177 S N -0.203 115.537 115.700 0.066 0.000 2.368 177 S HA -0.010 4.460 4.470 0.001 0.000 0.224 177 S C 2.314 176.946 174.600 0.054 0.000 1.029 177 S CA 1.109 59.342 58.200 0.055 0.000 0.988 177 S CB -0.445 62.785 63.200 0.050 0.000 0.838 177 S HN 0.799 nan 8.310 nan 0.000 0.462 178 A N 1.568 124.425 122.820 0.063 0.000 1.877 178 A HA -0.054 4.267 4.320 0.001 0.000 0.216 178 A C 2.076 179.678 177.584 0.029 0.000 1.186 178 A CA 1.252 53.313 52.037 0.040 0.000 0.620 178 A CB -0.759 18.265 19.000 0.040 0.000 0.822 178 A HN 0.466 nan 8.150 nan 0.000 0.443 179 I N -0.253 120.340 120.570 0.038 0.000 2.163 179 I HA -0.305 3.866 4.170 0.001 0.000 0.243 179 I C 2.953 179.092 176.117 0.037 0.000 1.085 179 I CA 1.217 62.534 61.300 0.030 0.000 1.347 179 I CB -0.289 37.729 38.000 0.031 0.000 1.044 179 I HN 0.366 nan 8.210 nan 0.000 0.408 180 A N -0.060 122.786 122.820 0.043 0.000 1.930 180 A HA -0.168 4.153 4.320 0.001 0.000 0.217 180 A C 2.359 179.984 177.584 0.070 0.000 1.175 180 A CA 2.170 54.237 52.037 0.050 0.000 0.627 180 A CB -0.976 18.054 19.000 0.050 0.000 0.815 180 A HN 0.373 nan 8.150 nan 0.000 0.443 181 T N -0.174 114.419 114.554 0.066 0.000 2.746 181 T HA -0.054 4.297 4.350 0.001 0.000 0.267 181 T C 1.962 176.718 174.700 0.094 0.000 1.039 181 T CA 1.467 63.614 62.100 0.079 0.000 1.142 181 T CB -0.572 68.326 68.868 0.050 0.000 0.866 181 T HN 0.581 nan 8.240 nan 0.000 0.444 182 G N 1.161 109.999 108.800 0.063 0.000 2.421 182 G HA2 -0.199 3.762 3.960 0.001 0.000 0.216 182 G HA3 -0.199 3.762 3.960 0.001 0.000 0.216 182 G C 1.568 176.560 174.900 0.152 0.000 1.171 182 G CA 0.720 45.873 45.100 0.088 0.000 0.775 182 G HN 0.405 nan 8.290 nan 0.000 0.543 183 M N 0.844 120.497 119.600 0.088 0.000 2.108 183 M HA -0.055 4.425 4.480 0.001 0.000 0.261 183 M C 3.031 179.353 176.300 0.037 0.000 1.066 183 M CA 1.491 56.819 55.300 0.046 0.000 1.107 183 M CB -0.243 32.356 32.600 -0.002 0.000 1.356 183 M HN 0.321 nan 8.290 nan 0.000 0.406 184 A N -0.088 122.798 122.820 0.109 0.000 1.902 184 A HA -0.199 4.122 4.320 0.001 0.000 0.217 184 A C 1.996 179.733 177.584 0.255 0.000 1.181 184 A CA 1.417 53.577 52.037 0.206 0.000 0.623 184 A CB -0.995 18.199 19.000 0.322 0.000 0.818 184 A HN 0.533 nan 8.150 nan 0.000 0.443 185 F N 1.298 121.297 119.950 0.082 0.000 2.102 185 F HA -0.161 4.367 4.527 0.002 0.000 0.298 185 F C 2.478 178.293 175.800 0.026 0.000 1.105 185 F CA 2.338 60.370 58.000 0.054 0.000 1.239 185 F CB -0.722 38.294 39.000 0.026 0.000 0.991 185 F HN 0.199 nan 8.300 nan 0.000 0.474 186 T N 0.744 115.363 114.554 0.108 0.000 2.720 186 T HA -0.203 4.147 4.350 0.001 0.000 0.268 186 T C 2.039 176.667 174.700 -0.120 0.000 1.037 186 T CA 1.840 63.927 62.100 -0.021 0.000 1.144 186 T CB -0.268 68.639 68.868 0.065 0.000 0.864 186 T HN 0.272 nan 8.240 nan 0.000 0.444 187 R N 0.724 121.137 120.500 -0.145 0.000 2.092 187 R HA -0.045 4.296 4.340 0.001 0.000 0.231 187 R C 2.232 178.414 176.300 -0.197 0.000 1.119 187 R CA 1.295 57.234 56.100 -0.269 0.000 0.970 187 R CB -0.197 29.710 30.300 -0.655 0.000 0.864 187 R HN 0.336 nan 8.270 nan 0.000 0.440 188 D N 0.831 121.221 120.400 -0.016 0.000 2.097 188 D HA -0.126 4.515 4.640 0.001 0.000 0.195 188 D C 1.975 178.210 176.300 -0.108 0.000 0.989 188 D CA 1.070 55.093 54.000 0.038 0.000 0.827 188 D CB -0.134 40.782 40.800 0.193 0.000 0.966 188 D HN 0.157 nan 8.370 nan 0.000 0.456 189 L N 0.471 121.568 121.223 -0.209 0.000 2.083 189 L HA -0.066 4.275 4.340 0.001 0.000 0.209 189 L C 2.546 179.323 176.870 -0.155 0.000 1.083 189 L CA 1.347 56.074 54.840 -0.188 0.000 0.752 189 L CB -0.654 41.198 42.059 -0.345 0.000 0.899 189 L HN 0.087 nan 8.230 nan 0.000 0.433 190 G N -0.183 108.505 108.800 -0.186 0.000 2.402 190 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 190 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 190 G C 1.364 176.102 174.900 -0.270 0.000 1.162 190 G CA 0.487 45.469 45.100 -0.196 0.000 0.777 190 G HN 0.313 nan 8.290 nan 0.000 0.539 191 N N 0.305 118.772 118.700 -0.390 0.000 2.309 191 N HA -0.015 4.726 4.740 0.001 0.000 0.182 191 N C 0.927 176.233 175.510 -0.339 0.000 1.018 191 N CA 0.134 52.851 53.050 -0.555 0.000 0.876 191 N CB -0.184 37.581 38.487 -1.203 0.000 0.972 191 N HN 0.130 nan 8.380 nan 0.000 0.434 192 L N 3.189 124.327 121.223 -0.141 0.000 2.525 192 L HA 0.057 4.398 4.340 0.001 0.000 0.278 192 L C -1.730 175.071 176.870 -0.115 0.000 1.218 192 L CA -0.488 54.400 54.840 0.079 0.000 0.878 192 L CB -0.370 41.691 42.059 0.003 0.000 1.127 192 L HN 0.018 nan 8.230 nan 0.000 0.492 193 P HA 0.209 nan 4.420 nan 0.000 0.276 193 P C -2.303 174.870 177.300 -0.212 0.000 1.244 193 P CA -1.517 61.435 63.100 -0.247 0.000 0.801 193 P CB 0.307 31.779 31.700 -0.379 0.000 1.006 194 P HA -0.098 nan 4.420 nan 0.000 0.236 194 P C 0.960 178.206 177.300 -0.089 0.000 1.177 194 P CA 0.991 64.015 63.100 -0.126 0.000 0.773 194 P CB -0.275 31.362 31.700 -0.105 0.000 0.878 195 N N 0.622 119.261 118.700 -0.102 0.000 2.166 195 N HA -0.151 4.590 4.740 0.001 0.000 0.186 195 N C 1.664 177.137 175.510 -0.061 0.000 1.019 195 N CA 1.507 54.528 53.050 -0.048 0.000 0.856 195 N CB -1.465 36.981 38.487 -0.069 0.000 0.993 195 N HN 0.204 nan 8.380 nan 0.000 0.426 196 L N -1.136 119.959 121.223 -0.213 0.000 2.286 196 L HA 0.203 4.543 4.340 0.001 0.000 0.203 196 L C 0.566 176.971 176.870 -0.775 0.000 1.068 196 L CA 0.017 54.614 54.840 -0.406 0.000 0.811 196 L CB -0.037 41.822 42.059 -0.333 0.000 0.989 196 L HN 0.238 nan 8.230 nan 0.000 0.467 197 C N 2.075 121.036 119.300 -0.565 0.000 2.145 197 C HA 0.346 4.807 4.460 0.001 0.000 0.374 197 C C 0.407 175.302 174.990 -0.158 0.000 1.035 197 C CA -0.733 58.017 59.018 -0.448 0.000 1.431 197 C CB -2.147 25.437 27.740 -0.260 0.000 1.789 197 C HN 0.410 nan 8.230 nan 0.000 0.483 198 H N 3.620 122.743 119.070 0.088 0.000 2.771 198 H HA 0.610 5.167 4.556 0.001 0.000 0.344 198 H C -2.362 173.059 175.328 0.155 0.000 1.260 198 H CA -2.644 53.455 56.048 0.085 0.000 1.276 198 H CB -0.525 29.263 29.762 0.042 0.000 1.881 198 H HN -0.049 nan 8.280 nan 0.000 0.615 199 P HA -0.121 nan 4.420 nan 0.000 0.216 199 P C 1.183 178.651 177.300 0.280 0.000 1.150 199 P CA 1.906 65.146 63.100 0.234 0.000 0.837 199 P CB 0.067 31.845 31.700 0.132 0.000 0.786 200 S N -1.217 114.694 115.700 0.351 0.000 2.402 200 S HA -0.129 4.342 4.470 0.001 0.000 0.229 200 S C 1.625 176.431 174.600 0.343 0.000 1.021 200 S CA 0.697 59.069 58.200 0.286 0.000 0.974 200 S CB -1.049 62.263 63.200 0.186 0.000 0.800 200 S HN 0.119 nan 8.310 nan 0.000 0.484 201 F N 2.608 122.744 119.950 0.310 0.000 2.102 201 F HA -0.067 4.461 4.527 0.001 0.000 0.298 201 F C 1.732 177.578 175.800 0.076 0.000 1.105 201 F CA 1.267 59.301 58.000 0.056 0.000 1.239 201 F CB -0.450 38.390 39.000 -0.267 0.000 0.991 201 F HN 0.085 nan 8.300 nan 0.000 0.474 202 L N 0.019 121.282 121.223 0.066 0.000 2.083 202 L HA -0.211 4.130 4.340 0.001 0.000 0.209 202 L C 2.785 179.721 176.870 0.110 0.000 1.083 202 L CA 1.156 56.025 54.840 0.049 0.000 0.752 202 L CB -1.256 40.965 42.059 0.269 0.000 0.899 202 L HN 0.291 nan 8.230 nan 0.000 0.433 203 A N -0.519 122.369 122.820 0.113 0.000 1.930 203 A HA -0.156 4.165 4.320 0.001 0.000 0.217 203 A C 2.209 179.830 177.584 0.063 0.000 1.175 203 A CA 1.211 53.315 52.037 0.112 0.000 0.627 203 A CB -0.241 18.825 19.000 0.110 0.000 0.815 203 A HN 0.310 nan 8.150 nan 0.000 0.443 204 E N 0.000 120.195 120.200 -0.009 0.000 2.072 204 E HA -0.158 4.192 4.350 0.001 0.000 0.191 204 E C 2.171 178.714 176.600 -0.094 0.000 0.985 204 E CA 0.925 57.300 56.400 -0.043 0.000 0.801 204 E CB -0.363 29.308 29.700 -0.049 0.000 0.750 204 E HN 0.591 nan 8.360 nan 0.000 0.452 205 Q N 0.153 119.801 119.800 -0.253 0.000 2.135 205 Q HA -0.093 4.248 4.340 0.001 0.000 0.204 205 Q C 2.072 178.123 176.000 0.086 0.000 0.981 205 Q CA 1.456 57.124 55.803 -0.224 0.000 0.856 205 Q CB -0.311 28.116 28.738 -0.519 0.000 0.902 205 Q HN 0.241 nan 8.270 nan 0.000 0.425 206 A N 1.053 124.028 122.820 0.257 0.000 1.897 206 A HA -0.131 4.190 4.320 0.001 0.000 0.215 206 A C 2.066 179.760 177.584 0.183 0.000 1.181 206 A CA 1.161 53.419 52.037 0.369 0.000 0.620 206 A CB -0.220 18.958 19.000 0.297 0.000 0.821 206 A HN 0.219 nan 8.150 nan 0.000 0.443 207 K N -0.127 120.343 120.400 0.118 0.000 2.097 207 K HA -0.147 4.173 4.320 0.001 0.000 0.206 207 K C 1.893 178.541 176.600 0.080 0.000 1.049 207 K CA 1.591 57.930 56.287 0.087 0.000 0.933 207 K CB -0.146 32.393 32.500 0.065 0.000 0.717 207 K HN 0.616 nan 8.250 nan 0.000 0.442 208 E N 0.706 120.947 120.200 0.068 0.000 2.072 208 E HA -0.181 4.170 4.350 0.001 0.000 0.191 208 E C 1.982 178.632 176.600 0.083 0.000 0.985 208 E CA 0.691 57.124 56.400 0.056 0.000 0.801 208 E CB -0.037 29.682 29.700 0.033 0.000 0.750 208 E HN 0.101 nan 8.360 nan 0.000 0.452 209 L N 0.823 122.121 121.223 0.124 0.000 2.046 209 L HA -0.056 4.285 4.340 0.001 0.000 0.208 209 L C 2.201 179.200 176.870 0.215 0.000 1.077 209 L CA 2.083 57.028 54.840 0.176 0.000 0.747 209 L CB -0.799 41.363 42.059 0.172 0.000 0.896 209 L HN 0.099 nan 8.230 nan 0.000 0.432 210 G N -0.680 108.215 108.800 0.157 0.000 2.476 210 G HA2 -0.315 3.645 3.960 0.001 0.000 0.218 210 G HA3 -0.315 3.645 3.960 0.001 0.000 0.218 210 G C 1.687 176.653 174.900 0.110 0.000 1.164 210 G CA 0.990 46.171 45.100 0.136 0.000 0.768 210 G HN 0.422 nan 8.290 nan 0.000 0.560 211 K N 0.448 120.894 120.400 0.077 0.000 2.283 211 K HA 0.121 4.442 4.320 0.001 0.000 0.202 211 K C 2.508 179.109 176.600 0.001 0.000 1.048 211 K CA 0.795 57.105 56.287 0.039 0.000 0.948 211 K CB -0.049 32.468 32.500 0.029 0.000 0.742 211 K HN 0.304 nan 8.250 nan 0.000 0.458 212 A N 0.492 123.296 122.820 -0.027 0.000 2.275 212 A HA 0.021 4.342 4.320 0.001 0.000 0.212 212 A C -0.161 177.133 177.584 -0.483 0.000 1.201 212 A CA 0.158 52.060 52.037 -0.226 0.000 0.843 212 A CB 0.064 18.906 19.000 -0.263 0.000 0.873 212 A HN 0.171 nan 8.150 nan 0.000 0.492 213 H N -0.859 118.229 119.070 0.031 0.000 2.924 213 H HA 0.191 4.748 4.556 0.001 0.000 0.333 213 H C 0.361 175.725 175.328 0.060 0.000 0.979 213 H CA -0.428 55.648 56.048 0.045 0.000 1.326 213 H CB 1.700 31.490 29.762 0.046 0.000 1.600 213 H HN 0.279 nan 8.280 nan 0.000 0.520 214 K N 2.729 123.210 120.400 0.134 0.000 2.074 214 K HA -0.104 4.216 4.320 0.001 0.000 0.209 214 K C 1.405 178.069 176.600 0.107 0.000 1.048 214 K CA 1.625 57.970 56.287 0.097 0.000 0.926 214 K CB 0.119 32.661 32.500 0.069 0.000 0.713 214 K HN 0.557 nan 8.250 nan 0.000 0.444 215 A N 0.590 123.500 122.820 0.151 0.000 2.307 215 A HA 0.173 4.494 4.320 0.001 0.000 0.218 215 A C 0.127 177.800 177.584 0.148 0.000 1.228 215 A CA -0.260 51.834 52.037 0.094 0.000 0.857 215 A CB 0.064 19.109 19.000 0.075 0.000 0.897 215 A HN 0.262 nan 8.150 nan 0.000 0.495 216 L N -0.163 121.172 121.223 0.187 0.000 2.341 216 L HA 0.527 4.867 4.340 0.001 0.000 0.278 216 L C -0.349 176.592 176.870 0.118 0.000 1.005 216 L CA -0.379 54.567 54.840 0.176 0.000 0.818 216 L CB 1.536 43.708 42.059 0.189 0.000 1.259 216 L HN 0.130 nan 8.230 nan 0.000 0.418 217 K N 4.529 124.986 120.400 0.095 0.000 2.345 217 K HA 0.697 5.017 4.320 0.001 0.000 0.255 217 K C -1.922 174.725 176.600 0.078 0.000 0.934 217 K CA -0.646 55.690 56.287 0.080 0.000 0.801 217 K CB 1.821 34.365 32.500 0.073 0.000 1.137 217 K HN 0.499 nan 8.250 nan 0.000 0.424 218 V N 3.509 123.469 119.914 0.077 0.000 2.495 218 V HA 0.366 4.486 4.120 0.001 0.000 0.298 218 V C -0.638 175.500 176.094 0.074 0.000 1.031 218 V CA -0.725 61.618 62.300 0.072 0.000 0.871 218 V CB 1.527 33.397 31.823 0.078 0.000 0.988 218 V HN 0.881 nan 8.190 nan 0.000 0.432 219 E N 3.197 123.443 120.200 0.075 0.000 2.248 219 E HA 0.712 5.063 4.350 0.001 0.000 0.267 219 E C -1.893 174.743 176.600 0.060 0.000 0.877 219 E CA -0.531 55.916 56.400 0.078 0.000 0.759 219 E CB 2.376 32.141 29.700 0.107 0.000 1.182 219 E HN 0.450 nan 8.360 nan 0.000 0.418 220 V N 4.793 124.741 119.914 0.057 0.000 2.487 220 V HA 0.346 4.466 4.120 0.001 0.000 0.298 220 V C -0.846 175.275 176.094 0.045 0.000 1.028 220 V CA -0.854 61.475 62.300 0.049 0.000 0.860 220 V CB 1.321 33.181 31.823 0.063 0.000 0.991 220 V HN 0.576 nan 8.190 nan 0.000 0.427 221 L N 5.619 126.855 121.223 0.022 0.000 2.282 221 L HA 0.526 4.867 4.340 0.001 0.000 0.288 221 L C 0.251 177.163 176.870 0.071 0.000 1.033 221 L CA -0.168 54.686 54.840 0.024 0.000 0.807 221 L CB 1.078 43.102 42.059 -0.057 0.000 1.209 221 L HN 0.814 nan 8.230 nan 0.000 0.423 222 D N 0.900 121.351 120.400 0.085 0.000 2.511 222 D HA 0.078 4.719 4.640 0.001 0.000 0.276 222 D C 0.827 177.217 176.300 0.149 0.000 1.220 222 D CA -0.506 53.559 54.000 0.108 0.000 1.077 222 D CB 0.482 41.332 40.800 0.083 0.000 1.126 222 D HN 0.574 nan 8.370 nan 0.000 0.583 223 E N -0.596 119.694 120.200 0.149 0.000 2.077 223 E HA -0.243 4.108 4.350 0.001 0.000 0.193 223 E C 1.762 178.501 176.600 0.231 0.000 0.989 223 E CA 1.022 57.546 56.400 0.207 0.000 0.800 223 E CB 0.050 29.839 29.700 0.149 0.000 0.746 223 E HN 0.461 nan 8.360 nan 0.000 0.452 224 K N 0.549 121.038 120.400 0.149 0.000 2.097 224 K HA -0.198 4.122 4.320 0.001 0.000 0.205 224 K C 2.173 178.824 176.600 0.084 0.000 1.050 224 K CA 1.406 57.753 56.287 0.101 0.000 0.938 224 K CB 0.013 32.554 32.500 0.069 0.000 0.718 224 K HN -0.138 nan 8.250 nan 0.000 0.442 225 K N 1.369 121.824 120.400 0.091 0.000 2.057 225 K HA -0.052 4.268 4.320 0.001 0.000 0.206 225 K C 1.799 178.451 176.600 0.086 0.000 1.050 225 K CA 1.362 57.694 56.287 0.075 0.000 0.935 225 K CB -0.285 32.254 32.500 0.065 0.000 0.715 225 K HN 0.191 nan 8.250 nan 0.000 0.439 226 I N 0.866 121.519 120.570 0.138 0.000 2.151 226 I HA -0.361 3.810 4.170 0.001 0.000 0.243 226 I C 2.515 178.739 176.117 0.179 0.000 1.080 226 I CA 1.698 63.112 61.300 0.189 0.000 1.339 226 I CB -0.306 37.966 38.000 0.454 0.000 1.039 226 I HN 0.276 nan 8.210 nan 0.000 0.409 227 K N 0.732 121.217 120.400 0.142 0.000 2.025 227 K HA -0.214 4.107 4.320 0.001 0.000 0.207 227 K C 1.649 178.225 176.600 -0.041 0.000 1.049 227 K CA 1.899 58.149 56.287 -0.062 0.000 0.933 227 K CB -0.017 32.308 32.500 -0.291 0.000 0.714 227 K HN 0.192 nan 8.250 nan 0.000 0.438 228 D N 0.783 121.181 120.400 -0.004 0.000 2.219 228 D HA -0.096 4.545 4.640 0.001 0.000 0.205 228 D C 1.710 178.022 176.300 0.021 0.000 0.970 228 D CA 0.726 54.727 54.000 0.000 0.000 0.851 228 D CB 0.036 40.843 40.800 0.012 0.000 0.943 228 D HN 0.243 nan 8.370 nan 0.000 0.488 229 L N -0.468 120.781 121.223 0.044 0.000 2.456 229 L HA 0.047 4.388 4.340 0.001 0.000 0.224 229 L C 1.462 178.365 176.870 0.055 0.000 1.148 229 L CA 0.667 55.544 54.840 0.061 0.000 0.825 229 L CB -0.229 41.887 42.059 0.095 0.000 0.937 229 L HN 0.158 nan 8.230 nan 0.000 0.450 230 G N -0.221 108.605 108.800 0.043 0.000 2.132 230 G HA2 -0.301 3.660 3.960 0.001 0.000 0.234 230 G HA3 -0.301 3.660 3.960 0.001 0.000 0.234 230 G C 0.325 175.273 174.900 0.080 0.000 0.989 230 G CA -0.190 44.937 45.100 0.045 0.000 0.676 230 G HN 0.273 nan 8.290 nan 0.000 0.522 231 M N 1.987 121.651 119.600 0.107 0.000 3.436 231 M HA 0.329 4.809 4.480 0.001 0.000 0.240 231 M C 1.888 178.324 176.300 0.228 0.000 1.469 231 M CA 0.603 55.999 55.300 0.159 0.000 1.622 231 M CB 0.197 32.889 32.600 0.154 0.000 1.098 231 M HN 0.239 nan 8.290 nan 0.000 0.568 232 G N 0.552 109.456 108.800 0.173 0.000 2.443 232 G HA2 -0.115 3.846 3.960 0.001 0.000 0.219 232 G HA3 -0.115 3.846 3.960 0.001 0.000 0.219 232 G C 1.482 176.513 174.900 0.218 0.000 1.131 232 G CA 0.985 46.196 45.100 0.185 0.000 0.775 232 G HN 0.678 nan 8.290 nan 0.000 0.547 233 A N 0.418 123.357 122.820 0.199 0.000 1.898 233 A HA 0.196 4.516 4.320 0.001 0.000 0.214 233 A C 2.097 179.795 177.584 0.189 0.000 1.183 233 A CA 1.254 53.396 52.037 0.175 0.000 0.622 233 A CB -0.489 18.602 19.000 0.151 0.000 0.824 233 A HN 0.355 nan 8.150 nan 0.000 0.444 234 F N -0.761 119.229 119.950 0.067 0.000 2.134 234 F HA -0.205 4.323 4.527 0.001 0.000 0.299 234 F C 2.117 177.954 175.800 0.063 0.000 1.097 234 F CA 1.964 59.993 58.000 0.048 0.000 1.264 234 F CB -0.510 38.518 39.000 0.046 0.000 1.001 234 F HN 0.370 nan 8.300 nan 0.000 0.479 235 Y N 0.712 121.080 120.300 0.115 0.000 2.224 235 Y HA -0.127 4.424 4.550 0.001 0.000 0.289 235 Y C 2.344 178.208 175.900 -0.060 0.000 1.146 235 Y CA 1.449 59.547 58.100 -0.003 0.000 1.182 235 Y CB -0.818 37.688 38.460 0.077 0.000 0.983 235 Y HN 0.102 nan 8.280 nan 0.000 0.524 236 A N -0.868 121.987 122.820 0.059 0.000 1.972 236 A HA -0.137 4.184 4.320 0.001 0.000 0.219 236 A C 2.296 179.792 177.584 -0.146 0.000 1.169 236 A CA 1.842 53.865 52.037 -0.024 0.000 0.635 236 A CB -1.204 17.835 19.000 0.065 0.000 0.810 236 A HN 0.333 nan 8.150 nan 0.000 0.446 237 V N -0.402 119.409 119.914 -0.172 0.000 2.358 237 V HA -0.132 3.989 4.120 0.001 0.000 0.246 237 V C 2.691 178.627 176.094 -0.264 0.000 1.047 237 V CA 1.944 64.128 62.300 -0.193 0.000 1.035 237 V CB -1.151 30.553 31.823 -0.199 0.000 0.658 237 V HN 0.602 nan 8.190 nan 0.000 0.452 238 G N -0.127 108.434 108.800 -0.399 0.000 2.572 238 G HA2 -0.178 3.782 3.960 0.001 0.000 0.216 238 G HA3 -0.178 3.782 3.960 0.001 0.000 0.216 238 G C 1.415 176.102 174.900 -0.355 0.000 1.133 238 G CA 0.641 45.510 45.100 -0.385 0.000 0.791 238 G HN 0.684 nan 8.290 nan 0.000 0.538 239 Q N -0.070 119.469 119.800 -0.434 0.000 2.224 239 Q HA 0.089 4.430 4.340 0.001 0.000 0.203 239 Q C 2.347 178.219 176.000 -0.213 0.000 0.970 239 Q CA 1.336 56.895 55.803 -0.407 0.000 0.865 239 Q CB -0.590 27.852 28.738 -0.493 0.000 0.922 239 Q HN 0.207 nan 8.270 nan 0.000 0.445 240 G N 0.865 109.561 108.800 -0.173 0.000 2.470 240 G HA2 -0.176 3.785 3.960 0.001 0.000 0.220 240 G HA3 -0.176 3.785 3.960 0.001 0.000 0.220 240 G C 0.574 175.414 174.900 -0.099 0.000 1.121 240 G CA 0.544 45.578 45.100 -0.111 0.000 0.766 240 G HN 0.367 nan 8.290 nan 0.000 0.553 241 S N -0.655 114.975 115.700 -0.116 0.000 2.617 241 S HA 0.343 4.814 4.470 0.001 0.000 0.283 241 S C 0.689 175.236 174.600 -0.088 0.000 1.189 241 S CA -0.613 57.530 58.200 -0.095 0.000 1.036 241 S CB 1.303 64.443 63.200 -0.100 0.000 1.014 241 S HN 0.076 nan 8.310 nan 0.000 0.522 242 D N 1.181 121.538 120.400 -0.072 0.000 2.312 242 D HA 0.049 4.689 4.640 0.001 0.000 0.211 242 D C 0.105 176.353 176.300 -0.087 0.000 0.964 242 D CA 0.884 54.842 54.000 -0.069 0.000 0.877 242 D CB 0.132 40.898 40.800 -0.057 0.000 0.924 242 D HN 0.414 nan 8.370 nan 0.000 0.515 243 Q N 1.522 121.261 119.800 -0.101 0.000 2.322 243 Q HA 0.252 4.592 4.340 0.001 0.000 0.256 243 Q C -2.255 173.682 176.000 -0.105 0.000 0.960 243 Q CA -1.807 53.917 55.803 -0.131 0.000 0.934 243 Q CB 1.556 30.214 28.738 -0.133 0.000 1.200 243 Q HN 0.161 nan 8.270 nan 0.000 0.435 244 P HA 0.327 nan 4.420 nan 0.000 0.276 244 P C -2.618 174.647 177.300 -0.058 0.000 1.252 244 P CA -1.602 61.453 63.100 -0.075 0.000 0.802 244 P CB 0.022 31.702 31.700 -0.032 0.000 1.035 245 P HA 0.351 nan 4.420 nan 0.000 0.276 245 P C -0.634 176.727 177.300 0.102 0.000 1.252 245 P CA -0.182 62.871 63.100 -0.077 0.000 0.802 245 P CB 0.716 32.206 31.700 -0.350 0.000 1.035 246 R N 0.649 121.273 120.500 0.206 0.000 2.604 246 R HA 0.491 4.832 4.340 0.001 0.000 0.281 246 R C -1.247 175.240 176.300 0.312 0.000 1.020 246 R CA -0.986 55.252 56.100 0.230 0.000 0.899 246 R CB 1.569 31.961 30.300 0.154 0.000 1.205 246 R HN 0.425 nan 8.270 nan 0.000 0.450 247 L N 4.152 125.464 121.223 0.148 0.000 2.280 247 L HA 0.541 4.881 4.340 0.001 0.000 0.287 247 L C -0.810 176.019 176.870 -0.069 0.000 1.023 247 L CA -0.249 54.548 54.840 -0.071 0.000 0.819 247 L CB 0.784 42.593 42.059 -0.418 0.000 1.212 247 L HN 0.555 nan 8.230 nan 0.000 0.420 248 I N 5.703 126.247 120.570 -0.043 0.000 2.354 248 I HA 0.432 4.603 4.170 0.001 0.000 0.292 248 I C -0.630 175.450 176.117 -0.063 0.000 0.989 248 I CA -0.793 60.490 61.300 -0.029 0.000 1.188 248 I CB 1.798 39.791 38.000 -0.012 0.000 1.342 248 I HN 0.251 nan 8.210 nan 0.000 0.457 249 V N 7.624 127.525 119.914 -0.021 0.000 2.417 249 V HA 0.458 4.579 4.120 0.001 0.000 0.291 249 V C -0.404 175.684 176.094 -0.010 0.000 1.024 249 V CA -0.545 61.755 62.300 0.001 0.000 0.861 249 V CB 1.624 33.518 31.823 0.119 0.000 0.985 249 V HN 0.407 nan 8.190 nan 0.000 0.436 250 L N 4.682 125.871 121.223 -0.057 0.000 2.372 250 L HA 0.560 4.900 4.340 0.001 0.000 0.274 250 L C -0.235 176.616 176.870 -0.032 0.000 0.988 250 L CA -0.182 54.639 54.840 -0.033 0.000 0.833 250 L CB 1.638 43.655 42.059 -0.069 0.000 1.236 250 L HN 0.507 nan 8.230 nan 0.000 0.410 251 N N 2.333 121.044 118.700 0.018 0.000 2.518 251 N HA 0.179 4.920 4.740 0.001 0.000 0.254 251 N C -1.652 173.912 175.510 0.090 0.000 0.979 251 N CA -0.447 52.612 53.050 0.016 0.000 0.930 251 N CB 0.930 39.433 38.487 0.026 0.000 1.152 251 N HN 0.485 nan 8.380 nan 0.000 0.505 252 Y N 3.168 123.446 120.300 -0.035 0.000 2.367 252 Y HA 0.338 4.888 4.550 0.000 0.000 0.342 252 Y C -0.441 175.460 175.900 0.001 0.000 0.979 252 Y CA -0.427 57.663 58.100 -0.017 0.000 1.161 252 Y CB 0.837 39.276 38.460 -0.034 0.000 1.155 252 Y HN 0.342 nan 8.280 nan 0.000 0.503 253 Q N 5.529 125.073 119.800 -0.427 0.000 2.655 253 Q HA 0.282 4.623 4.340 0.001 0.000 0.228 253 Q C 0.541 176.182 176.000 -0.599 0.000 1.186 253 Q CA 0.105 55.681 55.803 -0.378 0.000 1.004 253 Q CB 1.275 29.915 28.738 -0.163 0.000 1.242 253 Q HN 1.122 nan 8.270 nan 0.000 0.558 254 G N 0.613 108.907 108.800 -0.844 0.000 2.921 254 G HA2 0.165 4.125 3.960 0.001 0.000 0.213 254 G HA3 0.165 4.125 3.960 0.001 0.000 0.213 254 G C 0.641 175.425 174.900 -0.193 0.000 1.143 254 G CA 0.301 45.037 45.100 -0.608 0.000 0.764 254 G HN 0.496 nan 8.290 nan 0.000 0.542 255 G N 0.002 108.722 108.800 -0.132 0.000 2.532 255 G HA2 0.471 4.432 3.960 0.001 0.000 0.291 255 G HA3 0.471 4.432 3.960 0.001 0.000 0.291 255 G C -0.146 174.730 174.900 -0.039 0.000 1.349 255 G CA -0.768 44.312 45.100 -0.034 0.000 1.038 255 G HN 0.197 nan 8.290 nan 0.000 0.518 256 K N -0.553 119.839 120.400 -0.014 0.000 2.276 256 K HA 0.065 4.385 4.320 0.001 0.000 0.259 256 K C 1.159 177.747 176.600 -0.019 0.000 1.001 256 K CA -0.246 56.032 56.287 -0.015 0.000 0.927 256 K CB 1.038 33.535 32.500 -0.005 0.000 0.969 256 K HN 0.421 nan 8.250 nan 0.000 0.490 257 K N 1.537 121.927 120.400 -0.018 0.000 2.148 257 K HA -0.110 4.211 4.320 0.001 0.000 0.204 257 K C 1.240 177.833 176.600 -0.011 0.000 1.050 257 K CA 1.708 57.986 56.287 -0.016 0.000 0.942 257 K CB -0.019 32.474 32.500 -0.012 0.000 0.724 257 K HN 0.625 nan 8.250 nan 0.000 0.446 258 A N 0.434 123.248 122.820 -0.010 0.000 2.423 258 A HA 0.169 4.490 4.320 0.001 0.000 0.246 258 A C -0.618 176.958 177.584 -0.014 0.000 1.278 258 A CA -0.364 51.667 52.037 -0.010 0.000 0.903 258 A CB -0.117 18.879 19.000 -0.008 0.000 0.997 258 A HN 0.200 nan 8.150 nan 0.000 0.510 259 D N 1.590 121.981 120.400 -0.015 0.000 2.351 259 D HA 0.207 4.848 4.640 0.001 0.000 0.251 259 D C 0.019 176.288 176.300 -0.050 0.000 1.137 259 D CA 0.369 54.355 54.000 -0.023 0.000 0.879 259 D CB 0.820 41.618 40.800 -0.004 0.000 1.181 259 D HN 0.231 nan 8.370 nan 0.000 0.448 260 K N 3.361 123.708 120.400 -0.088 0.000 2.326 260 K HA 0.198 4.519 4.320 0.001 0.000 0.275 260 K C -2.051 174.408 176.600 -0.234 0.000 1.018 260 K CA -1.105 55.108 56.287 -0.125 0.000 0.962 260 K CB 0.537 32.951 32.500 -0.143 0.000 0.953 260 K HN 0.292 nan 8.250 nan 0.000 0.475 261 P HA 0.156 nan 4.420 nan 0.000 0.278 261 P C -0.892 176.167 177.300 -0.402 0.000 1.258 261 P CA -0.356 62.633 63.100 -0.185 0.000 0.811 261 P CB 0.516 32.180 31.700 -0.060 0.000 1.063 262 F N -0.422 119.540 119.950 0.021 0.000 2.404 262 F HA 0.295 4.823 4.527 0.001 0.000 0.345 262 F C 0.548 176.338 175.800 -0.018 0.000 1.110 262 F CA -0.459 57.567 58.000 0.042 0.000 1.130 262 F CB 1.071 40.134 39.000 0.105 0.000 1.129 262 F HN -0.088 nan 8.300 nan 0.000 0.500 263 V N 5.252 125.212 119.914 0.077 0.000 2.417 263 V HA 0.401 4.522 4.120 0.001 0.000 0.291 263 V C -0.220 175.887 176.094 0.022 0.000 1.024 263 V CA -0.795 61.490 62.300 -0.024 0.000 0.861 263 V CB 1.632 33.388 31.823 -0.112 0.000 0.985 263 V HN 0.524 nan 8.190 nan 0.000 0.436 264 L N 5.525 126.752 121.223 0.006 0.000 2.296 264 L HA 0.632 4.972 4.340 0.001 0.000 0.286 264 L C -0.623 176.250 176.870 0.006 0.000 1.023 264 L CA -0.741 54.108 54.840 0.015 0.000 0.812 264 L CB 1.888 43.952 42.059 0.009 0.000 1.223 264 L HN 0.335 nan 8.230 nan 0.000 0.421 265 V N 2.152 122.095 119.914 0.048 0.000 2.384 265 V HA 0.633 4.754 4.120 0.001 0.000 0.287 265 V C 0.479 176.617 176.094 0.073 0.000 1.020 265 V CA -0.446 61.894 62.300 0.067 0.000 0.850 265 V CB 1.535 33.435 31.823 0.128 0.000 0.987 265 V HN 0.872 nan 8.190 nan 0.000 0.436 266 G N 3.265 112.095 108.800 0.050 0.000 2.470 266 G HA2 0.504 4.464 3.960 0.001 0.000 0.320 266 G HA3 0.504 4.464 3.960 0.001 0.000 0.320 266 G C -0.662 174.291 174.900 0.088 0.000 1.245 266 G CA -0.736 44.403 45.100 0.066 0.000 0.935 266 G HN 0.677 nan 8.290 nan 0.000 0.476 267 K N 1.335 121.800 120.400 0.109 0.000 2.379 267 K HA 0.378 4.698 4.320 0.001 0.000 0.284 267 K C 0.635 177.296 176.600 0.103 0.000 1.044 267 K CA -0.083 56.273 56.287 0.115 0.000 0.974 267 K CB 0.508 33.080 32.500 0.120 0.000 0.962 267 K HN 0.450 nan 8.250 nan 0.000 0.474 268 G N 6.417 115.282 108.800 0.108 0.000 5.001 268 G HA2 0.226 4.187 3.960 0.001 0.000 0.304 268 G HA3 0.226 4.187 3.960 0.001 0.000 0.304 268 G C -0.084 174.861 174.900 0.075 0.000 1.400 268 G CA -0.483 44.678 45.100 0.102 0.000 1.029 268 G HN 0.443 nan 8.290 nan 0.000 0.584 292 C N 0.744 120.072 119.300 0.046 0.000 2.432 292 C HA 0.063 4.524 4.460 0.001 0.000 0.282 292 C C 2.482 177.527 174.990 0.092 0.000 1.388 292 C CA 1.648 60.709 59.018 0.071 0.000 1.777 292 C CB -1.481 26.334 27.740 0.126 0.000 1.882 292 C HN 0.834 nan 8.230 nan 0.000 0.520 293 G N 0.770 109.629 108.800 0.098 0.000 2.453 293 G HA2 -0.090 3.871 3.960 0.001 0.000 0.215 293 G HA3 -0.090 3.871 3.960 0.001 0.000 0.215 293 G C 1.920 176.874 174.900 0.090 0.000 1.201 293 G CA 1.039 46.193 45.100 0.090 0.000 0.784 293 G HN 0.570 nan 8.290 nan 0.000 0.545 294 A N 1.201 124.080 122.820 0.098 0.000 1.908 294 A HA 0.151 4.472 4.320 0.001 0.000 0.218 294 A C 2.835 180.535 177.584 0.194 0.000 1.181 294 A CA 2.596 54.696 52.037 0.104 0.000 0.627 294 A CB -0.912 18.161 19.000 0.121 0.000 0.818 294 A HN 0.928 nan 8.150 nan 0.000 0.445 295 A N 0.265 123.204 122.820 0.197 0.000 1.908 295 A HA -0.128 4.193 4.320 0.001 0.000 0.218 295 A C 2.518 180.239 177.584 0.229 0.000 1.181 295 A CA 2.502 54.667 52.037 0.213 0.000 0.627 295 A CB -1.013 18.017 19.000 0.050 0.000 0.818 295 A HN 1.105 nan 8.150 nan 0.000 0.445 296 S N -0.576 115.212 115.700 0.147 0.000 2.423 296 S HA -0.080 4.391 4.470 0.001 0.000 0.231 296 S C 1.714 176.395 174.600 0.135 0.000 1.014 296 S CA 1.271 59.547 58.200 0.126 0.000 0.965 296 S CB -0.725 62.519 63.200 0.073 0.000 0.785 296 S HN 0.240 nan 8.310 nan 0.000 0.495 297 V N 0.893 120.878 119.914 0.118 0.000 2.307 297 V HA -0.069 4.052 4.120 0.001 0.000 0.245 297 V C 2.191 178.355 176.094 0.116 0.000 1.045 297 V CA 1.883 64.217 62.300 0.056 0.000 1.024 297 V CB -1.042 30.768 31.823 -0.022 0.000 0.651 297 V HN 0.475 nan 8.190 nan 0.000 0.449 298 F N 1.208 121.270 119.950 0.187 0.000 2.095 298 F HA -0.159 4.368 4.527 0.001 0.000 0.298 298 F C 2.443 178.398 175.800 0.258 0.000 1.104 298 F CA 1.652 59.862 58.000 0.349 0.000 1.232 298 F CB -0.801 38.772 39.000 0.956 0.000 0.987 298 F HN 0.245 nan 8.300 nan 0.000 0.475 299 G N -1.191 107.942 108.800 0.554 0.000 2.418 299 G HA2 -0.214 3.747 3.960 0.001 0.000 0.217 299 G HA3 -0.214 3.747 3.960 0.001 0.000 0.217 299 G C 1.640 176.602 174.900 0.104 0.000 1.158 299 G CA 1.416 46.717 45.100 0.335 0.000 0.771 299 G HN 0.271 nan 8.290 nan 0.000 0.545 300 T N 1.074 115.675 114.554 0.079 0.000 2.777 300 T HA -0.114 4.237 4.350 0.001 0.000 0.266 300 T C 2.252 176.910 174.700 -0.070 0.000 1.040 300 T CA 1.179 63.279 62.100 0.000 0.000 1.141 300 T CB -0.228 68.645 68.868 0.008 0.000 0.868 300 T HN 0.153 nan 8.240 nan 0.000 0.444 301 L N 1.612 122.790 121.223 -0.075 0.000 2.012 301 L HA -0.021 4.320 4.340 0.001 0.000 0.210 301 L C 2.497 179.209 176.870 -0.265 0.000 1.073 301 L CA 1.866 56.597 54.840 -0.182 0.000 0.748 301 L CB -0.544 41.429 42.059 -0.143 0.000 0.891 301 L HN 0.078 nan 8.230 nan 0.000 0.431 302 R N -0.416 119.934 120.500 -0.250 0.000 2.105 302 R HA -0.165 4.176 4.340 0.001 0.000 0.239 302 R C 2.146 178.315 176.300 -0.218 0.000 1.135 302 R CA 1.497 57.405 56.100 -0.319 0.000 0.967 302 R CB -0.467 29.588 30.300 -0.408 0.000 0.861 302 R HN 0.525 nan 8.270 nan 0.000 0.442 303 A N 0.205 122.939 122.820 -0.144 0.000 1.902 303 A HA -0.097 4.224 4.320 0.001 0.000 0.217 303 A C 2.275 179.771 177.584 -0.147 0.000 1.181 303 A CA 1.620 53.595 52.037 -0.104 0.000 0.623 303 A CB -0.572 18.392 19.000 -0.061 0.000 0.818 303 A HN 0.234 nan 8.150 nan 0.000 0.443 304 V N 0.103 119.889 119.914 -0.214 0.000 2.407 304 V HA -0.238 3.882 4.120 0.001 0.000 0.248 304 V C 2.557 178.428 176.094 -0.371 0.000 1.055 304 V CA 1.882 64.011 62.300 -0.285 0.000 1.049 304 V CB -0.692 30.912 31.823 -0.365 0.000 0.662 304 V HN 0.562 nan 8.190 nan 0.000 0.455 305 L N -0.245 120.711 121.223 -0.444 0.000 2.056 305 L HA -0.199 4.142 4.340 0.001 0.000 0.207 305 L C 2.582 179.357 176.870 -0.159 0.000 1.078 305 L CA 1.978 56.582 54.840 -0.393 0.000 0.749 305 L CB -0.583 41.135 42.059 -0.569 0.000 0.901 305 L HN 0.411 nan 8.230 nan 0.000 0.433 306 E N 0.661 120.788 120.200 -0.122 0.000 2.110 306 E HA -0.218 4.133 4.350 0.001 0.000 0.193 306 E C 2.212 178.811 176.600 -0.001 0.000 0.988 306 E CA 1.081 57.463 56.400 -0.031 0.000 0.804 306 E CB 0.018 29.705 29.700 -0.021 0.000 0.745 306 E HN 0.482 nan 8.360 nan 0.000 0.458 307 L N 0.129 121.340 121.223 -0.021 0.000 2.492 307 L HA 0.024 4.365 4.340 0.001 0.000 0.223 307 L C 0.566 177.456 176.870 0.033 0.000 1.132 307 L CA 0.258 55.109 54.840 0.019 0.000 0.850 307 L CB -0.073 41.981 42.059 -0.008 0.000 0.966 307 L HN 0.164 nan 8.230 nan 0.000 0.454 308 Q N 0.933 120.749 119.800 0.027 0.000 2.439 308 Q HA -0.192 4.149 4.340 0.001 0.000 0.325 308 Q C -0.370 175.713 176.000 0.140 0.000 1.372 308 Q CA 0.195 56.068 55.803 0.116 0.000 0.909 308 Q CB -1.674 27.132 28.738 0.113 0.000 1.167 308 Q HN 0.463 nan 8.270 nan 0.000 0.418 309 L N 1.073 122.360 121.223 0.106 0.000 2.483 309 L HA 0.120 4.461 4.340 0.001 0.000 0.276 309 L C -1.407 175.575 176.870 0.186 0.000 1.213 309 L CA -1.386 53.512 54.840 0.098 0.000 0.843 309 L CB -0.056 42.009 42.059 0.011 0.000 1.107 309 L HN 0.047 nan 8.230 nan 0.000 0.487 310 P HA 0.161 nan 4.420 nan 0.000 0.209 310 P C -0.825 176.521 177.300 0.077 0.000 1.843 310 P CA -0.104 63.038 63.100 0.070 0.000 0.985 310 P CB 0.218 31.941 31.700 0.039 0.000 1.904 311 V N -1.109 118.887 119.914 0.137 0.000 3.040 311 V HA 0.575 4.696 4.120 0.001 0.000 0.312 311 V C -0.607 175.577 176.094 0.149 0.000 1.115 311 V CA -1.419 60.991 62.300 0.183 0.000 0.998 311 V CB 2.224 34.169 31.823 0.204 0.000 1.042 311 V HN 0.007 nan 8.190 nan 0.000 0.433 312 N N 1.922 120.721 118.700 0.165 0.000 2.426 312 N HA 0.628 5.369 4.740 0.001 0.000 0.257 312 N C -1.180 174.460 175.510 0.215 0.000 1.002 312 N CA -0.401 52.703 53.050 0.091 0.000 0.942 312 N CB 1.637 40.135 38.487 0.018 0.000 1.112 312 N HN 0.704 nan 8.380 nan 0.000 0.499 313 L N 3.792 125.154 121.223 0.232 0.000 2.343 313 L HA 0.493 4.833 4.340 0.001 0.000 0.278 313 L C -1.315 175.593 176.870 0.063 0.000 0.996 313 L CA -0.739 54.221 54.840 0.200 0.000 0.831 313 L CB 1.519 43.720 42.059 0.237 0.000 1.232 313 L HN 0.200 nan 8.230 nan 0.000 0.413 314 V N 4.568 124.436 119.914 -0.076 0.000 2.370 314 V HA 0.426 4.546 4.120 0.001 0.000 0.283 314 V C -0.385 175.589 176.094 -0.200 0.000 1.023 314 V CA -0.460 61.681 62.300 -0.264 0.000 0.857 314 V CB 1.352 32.764 31.823 -0.686 0.000 0.985 314 V HN 0.875 nan 8.190 nan 0.000 0.443 315 C N 6.555 125.756 119.300 -0.165 0.000 2.329 315 C HA 0.681 5.142 4.460 0.001 0.000 0.329 315 C C -0.023 174.883 174.990 -0.141 0.000 1.275 315 C CA -0.856 58.080 59.018 -0.137 0.000 1.726 315 C CB 0.208 27.858 27.740 -0.149 0.000 2.291 315 C HN 0.721 nan 8.230 nan 0.000 0.514 316 L N 4.432 125.595 121.223 -0.099 0.000 2.342 316 L HA 0.529 4.870 4.340 0.001 0.000 0.276 316 L C -0.687 176.142 176.870 -0.068 0.000 0.997 316 L CA -0.274 54.526 54.840 -0.068 0.000 0.838 316 L CB 0.808 42.868 42.059 0.002 0.000 1.224 316 L HN 0.521 nan 8.230 nan 0.000 0.416 317 L N 3.587 124.757 121.223 -0.088 0.000 2.276 317 L HA 0.600 4.941 4.340 0.001 0.000 0.286 317 L C 0.404 177.288 176.870 0.023 0.000 1.024 317 L CA -0.491 54.321 54.840 -0.047 0.000 0.826 317 L CB 1.641 43.638 42.059 -0.103 0.000 1.211 317 L HN 0.662 nan 8.230 nan 0.000 0.422 318 A N 3.573 126.445 122.820 0.087 0.000 2.506 318 A HA 0.511 4.832 4.320 0.001 0.000 0.320 318 A C -0.281 177.498 177.584 0.325 0.000 1.424 318 A CA -0.306 51.873 52.037 0.237 0.000 1.044 318 A CB -0.139 18.998 19.000 0.228 0.000 1.140 318 A HN 0.764 nan 8.150 nan 0.000 0.538 319 C N 2.183 121.684 119.300 0.336 0.000 2.351 319 C HA 0.946 5.406 4.460 0.001 0.000 0.326 319 C C 0.639 175.658 174.990 0.050 0.000 1.272 319 C CA 0.084 59.206 59.018 0.174 0.000 1.650 319 C CB 0.398 28.237 27.740 0.166 0.000 2.257 319 C HN 1.108 nan 8.230 nan 0.000 0.505 320 A N 2.287 125.088 122.820 -0.032 0.000 2.586 320 A HA 0.804 5.125 4.320 0.001 0.000 0.290 320 A C -1.596 175.939 177.584 -0.082 0.000 1.086 320 A CA -0.476 51.473 52.037 -0.147 0.000 0.665 320 A CB 1.142 19.934 19.000 -0.347 0.000 1.279 320 A HN 0.802 nan 8.150 nan 0.000 0.423 321 E N 0.715 120.856 120.200 -0.099 0.000 2.191 321 E HA 0.393 4.744 4.350 0.001 0.000 0.263 321 E C -1.283 175.260 176.600 -0.094 0.000 0.881 321 E CA -0.622 55.736 56.400 -0.070 0.000 0.757 321 E CB 1.020 30.692 29.700 -0.045 0.000 1.147 321 E HN 0.534 nan 8.360 nan 0.000 0.414 322 N N 5.587 124.239 118.700 -0.081 0.000 2.500 322 N HA 0.199 4.940 4.740 0.001 0.000 0.236 322 N C -1.219 174.249 175.510 -0.070 0.000 1.022 322 N CA -0.090 52.909 53.050 -0.084 0.000 0.935 322 N CB 0.393 38.837 38.487 -0.071 0.000 1.147 322 N HN 0.474 nan 8.380 nan 0.000 0.512 323 M N 2.937 122.493 119.600 -0.074 0.000 2.591 323 M HA 0.514 4.995 4.480 0.001 0.000 0.306 323 M C -2.375 173.891 176.300 -0.057 0.000 1.190 323 M CA -2.032 53.232 55.300 -0.061 0.000 0.889 323 M CB 1.653 34.216 32.600 -0.062 0.000 1.728 323 M HN 0.306 nan 8.290 nan 0.000 0.458 324 P HA 0.497 nan 4.420 nan 0.000 0.284 324 P C -0.976 176.301 177.300 -0.038 0.000 1.253 324 P CA -0.124 62.952 63.100 -0.039 0.000 0.800 324 P CB 1.365 33.046 31.700 -0.032 0.000 0.961 325 S N 0.022 115.700 115.700 -0.036 0.000 2.669 325 S HA 0.465 4.936 4.470 0.001 0.000 0.266 325 S C 0.819 175.403 174.600 -0.027 0.000 1.149 325 S CA -0.190 57.990 58.200 -0.032 0.000 0.842 325 S CB 0.363 63.539 63.200 -0.039 0.000 1.160 325 S HN 0.415 nan 8.310 nan 0.000 0.487 326 G N -0.586 108.201 108.800 -0.022 0.000 2.920 326 G HA2 0.406 4.367 3.960 0.001 0.000 0.208 326 G HA3 0.406 4.367 3.960 0.001 0.000 0.208 326 G C 0.809 175.701 174.900 -0.015 0.000 1.159 326 G CA 0.374 45.465 45.100 -0.016 0.000 0.784 326 G HN 1.421 nan 8.290 nan 0.000 0.535 327 G N -0.472 108.316 108.800 -0.021 0.000 3.596 327 G HA2 0.516 4.477 3.960 0.001 0.000 0.274 327 G HA3 0.516 4.477 3.960 0.001 0.000 0.274 327 G C 0.549 175.429 174.900 -0.032 0.000 1.007 327 G CA 0.593 45.682 45.100 -0.018 0.000 0.825 327 G HN 0.546 nan 8.290 nan 0.000 0.508 328 A N 0.251 123.049 122.820 -0.038 0.000 2.366 328 A HA 0.608 4.929 4.320 0.001 0.000 0.249 328 A C 0.789 178.351 177.584 -0.036 0.000 1.084 328 A CA 0.051 52.058 52.037 -0.050 0.000 0.794 328 A CB 0.146 19.116 19.000 -0.049 0.000 1.034 328 A HN 0.142 nan 8.150 nan 0.000 0.491 329 T N 1.480 116.008 114.554 -0.043 0.000 2.940 329 T HA 0.339 4.690 4.350 0.001 0.000 0.309 329 T C 0.203 174.893 174.700 -0.016 0.000 1.056 329 T CA 0.640 62.727 62.100 -0.021 0.000 1.137 329 T CB -0.019 68.834 68.868 -0.026 0.000 0.976 329 T HN 0.595 nan 8.240 nan 0.000 0.547 330 R N 3.130 123.627 120.500 -0.005 0.000 2.534 330 R HA 0.414 4.754 4.340 0.001 0.000 0.301 330 R C -2.818 173.483 176.300 0.001 0.000 0.961 330 R CA -2.185 53.912 56.100 -0.005 0.000 0.871 330 R CB 0.813 31.110 30.300 -0.005 0.000 1.170 330 R HN 0.321 nan 8.270 nan 0.000 0.446 331 P HA -0.111 nan 4.420 nan 0.000 0.261 331 P C 0.723 178.032 177.300 0.014 0.000 1.165 331 P CA 1.495 64.601 63.100 0.011 0.000 0.759 331 P CB 0.559 32.265 31.700 0.010 0.000 0.772 332 G N 2.167 110.984 108.800 0.028 0.000 2.213 332 G HA2 -0.191 3.770 3.960 0.001 0.000 0.236 332 G HA3 -0.191 3.770 3.960 0.001 0.000 0.236 332 G C 0.010 174.917 174.900 0.012 0.000 0.991 332 G CA -0.250 44.863 45.100 0.021 0.000 0.629 332 G HN 0.489 nan 8.290 nan 0.000 0.517 333 D N 0.419 120.831 120.400 0.020 0.000 2.423 333 D HA 0.491 5.132 4.640 0.001 0.000 0.238 333 D C 0.751 177.080 176.300 0.048 0.000 1.142 333 D CA 0.498 54.513 54.000 0.025 0.000 0.884 333 D CB 0.797 41.617 40.800 0.032 0.000 1.199 333 D HN 0.373 nan 8.370 nan 0.000 0.438 334 I N 1.554 122.153 120.570 0.048 0.000 2.436 334 I HA 0.289 4.459 4.170 0.001 0.000 0.289 334 I C -0.196 175.968 176.117 0.079 0.000 1.010 334 I CA -0.973 60.372 61.300 0.076 0.000 1.098 334 I CB 1.778 39.819 38.000 0.069 0.000 1.266 334 I HN 0.080 nan 8.210 nan 0.000 0.434 335 V N 1.512 121.488 119.914 0.103 0.000 2.914 335 V HA 0.642 4.763 4.120 0.001 0.000 0.314 335 V C -0.242 175.920 176.094 0.113 0.000 1.084 335 V CA -0.430 61.934 62.300 0.106 0.000 0.963 335 V CB 1.869 33.768 31.823 0.126 0.000 1.025 335 V HN 0.656 nan 8.190 nan 0.000 0.432 336 T N 3.139 117.752 114.554 0.098 0.000 2.733 336 T HA 0.498 4.849 4.350 0.001 0.000 0.294 336 T C 0.490 175.260 174.700 0.116 0.000 0.956 336 T CA 0.256 62.414 62.100 0.096 0.000 0.987 336 T CB 0.580 69.487 68.868 0.064 0.000 0.920 336 T HN 1.238 nan 8.240 nan 0.000 0.470 337 T N 1.457 116.101 114.554 0.150 0.000 2.766 337 T HA 0.218 4.569 4.350 0.001 0.000 0.295 337 T C 1.656 176.441 174.700 0.141 0.000 1.024 337 T CA -0.734 61.471 62.100 0.175 0.000 1.018 337 T CB 0.522 69.561 68.868 0.286 0.000 1.002 337 T HN 0.568 nan 8.240 nan 0.000 0.532 338 M N 1.267 120.949 119.600 0.136 0.000 2.149 338 M HA -0.136 4.344 4.480 0.001 0.000 0.261 338 M C 2.263 178.620 176.300 0.095 0.000 1.064 338 M CA 2.234 57.598 55.300 0.107 0.000 1.102 338 M CB -0.500 32.167 32.600 0.111 0.000 1.369 338 M HN 0.910 nan 8.290 nan 0.000 0.408 339 S N -0.917 114.862 115.700 0.132 0.000 2.474 339 S HA 0.065 4.536 4.470 0.001 0.000 0.235 339 S C 1.589 176.202 174.600 0.022 0.000 0.997 339 S CA 0.972 59.214 58.200 0.069 0.000 0.949 339 S CB -0.511 62.729 63.200 0.067 0.000 0.766 339 S HN 0.817 nan 8.310 nan 0.000 0.517 340 G N 0.169 108.997 108.800 0.048 0.000 2.241 340 G HA2 -0.256 3.705 3.960 0.001 0.000 0.244 340 G HA3 -0.256 3.705 3.960 0.001 0.000 0.244 340 G C -0.068 174.843 174.900 0.018 0.000 0.998 340 G CA 0.095 45.209 45.100 0.024 0.000 0.621 340 G HN 0.617 nan 8.290 nan 0.000 0.519 341 Q N 1.683 121.487 119.800 0.007 0.000 2.364 341 Q HA 0.464 4.805 4.340 0.001 0.000 0.267 341 Q C 0.727 176.773 176.000 0.077 0.000 0.999 341 Q CA 0.777 56.571 55.803 -0.015 0.000 0.886 341 Q CB 0.700 29.352 28.738 -0.143 0.000 1.243 341 Q HN 0.543 nan 8.270 nan 0.000 0.415 342 T N -1.671 112.922 114.554 0.065 0.000 2.907 342 T HA 0.605 4.956 4.350 0.001 0.000 0.284 342 T C -0.243 174.544 174.700 0.145 0.000 1.004 342 T CA -0.822 61.341 62.100 0.106 0.000 1.063 342 T CB 1.142 70.063 68.868 0.088 0.000 0.992 342 T HN 0.268 nan 8.240 nan 0.000 0.483 343 V N 2.046 122.071 119.914 0.184 0.000 2.577 343 V HA 0.409 4.530 4.120 0.001 0.000 0.303 343 V C -0.058 176.152 176.094 0.193 0.000 1.042 343 V CA -0.929 61.516 62.300 0.242 0.000 0.872 343 V CB 1.645 33.674 31.823 0.344 0.000 0.998 343 V HN 1.058 nan 8.190 nan 0.000 0.423 344 E N 4.525 124.841 120.200 0.192 0.000 2.194 344 E HA 0.373 4.724 4.350 0.001 0.000 0.284 344 E C -0.709 175.972 176.600 0.135 0.000 1.035 344 E CA -0.461 56.036 56.400 0.161 0.000 0.836 344 E CB 0.823 30.639 29.700 0.192 0.000 1.070 344 E HN 0.635 nan 8.360 nan 0.000 0.401 345 I N 7.273 127.901 120.570 0.097 0.000 2.241 345 I HA 0.010 4.181 4.170 0.001 0.000 0.294 345 I C 1.074 177.217 176.117 0.045 0.000 1.145 345 I CA -0.102 61.232 61.300 0.056 0.000 1.261 345 I CB 0.349 38.373 38.000 0.041 0.000 1.475 345 I HN 0.653 nan 8.210 nan 0.000 0.533 346 L N 3.972 125.223 121.223 0.047 0.000 2.156 346 L HA -0.007 4.334 4.340 0.001 0.000 0.208 346 L C 1.005 177.888 176.870 0.021 0.000 1.095 346 L CA 1.016 55.883 54.840 0.046 0.000 0.770 346 L CB -0.212 41.881 42.059 0.057 0.000 0.914 346 L HN 0.617 nan 8.230 nan 0.000 0.439 347 N N -0.963 117.737 118.700 0.001 0.000 2.454 347 N HA 0.053 4.794 4.740 0.001 0.000 0.291 347 N C 0.524 176.018 175.510 -0.027 0.000 1.079 347 N CA 0.120 53.164 53.050 -0.011 0.000 0.893 347 N CB 1.736 40.216 38.487 -0.013 0.000 1.512 347 N HN -0.064 nan 8.380 nan 0.000 0.497 348 T N -0.862 113.678 114.554 -0.023 0.000 3.118 348 T HA -0.026 4.325 4.350 0.001 0.000 0.260 348 T C 0.828 175.503 174.700 -0.040 0.000 1.139 348 T CA 0.680 62.761 62.100 -0.033 0.000 1.085 348 T CB 0.087 68.937 68.868 -0.031 0.000 0.934 348 T HN 0.327 nan 8.240 nan 0.000 0.518 349 D N 1.372 121.751 120.400 -0.034 0.000 2.339 349 D HA 0.286 4.926 4.640 0.001 0.000 0.217 349 D C 0.964 177.239 176.300 -0.040 0.000 1.050 349 D CA -0.065 53.916 54.000 -0.032 0.000 0.856 349 D CB -0.190 40.599 40.800 -0.020 0.000 0.922 349 D HN 0.522 nan 8.370 nan 0.000 0.518 350 A N 1.168 123.951 122.820 -0.062 0.000 3.215 350 A HA 0.177 4.497 4.320 0.001 0.000 0.269 350 A C 1.322 178.833 177.584 -0.122 0.000 1.517 350 A CA -0.381 51.597 52.037 -0.099 0.000 1.221 350 A CB -0.219 18.700 19.000 -0.135 0.000 1.160 350 A HN 0.216 nan 8.150 nan 0.000 0.620 351 E N 0.313 120.467 120.200 -0.077 0.000 2.251 351 E HA -0.011 4.339 4.350 0.001 0.000 0.194 351 E C 1.571 178.143 176.600 -0.046 0.000 0.964 351 E CA 1.067 57.427 56.400 -0.068 0.000 0.868 351 E CB -0.850 28.814 29.700 -0.060 0.000 0.828 351 E HN 0.388 nan 8.360 nan 0.000 0.481 352 G N 3.118 111.903 108.800 -0.024 0.000 2.446 352 G HA2 -0.359 3.602 3.960 0.001 0.000 0.217 352 G HA3 -0.359 3.602 3.960 0.001 0.000 0.217 352 G C 1.894 176.806 174.900 0.020 0.000 1.168 352 G CA 1.516 46.628 45.100 0.021 0.000 0.771 352 G HN 0.441 nan 8.290 nan 0.000 0.551 353 R N 0.264 120.736 120.500 -0.047 0.000 2.189 353 R HA 0.154 4.495 4.340 0.001 0.000 0.223 353 R C 2.214 178.515 176.300 0.002 0.000 1.092 353 R CA 0.927 56.998 56.100 -0.049 0.000 0.989 353 R CB -0.531 29.620 30.300 -0.248 0.000 0.876 353 R HN 0.400 nan 8.270 nan 0.000 0.457 354 L N 1.489 122.689 121.223 -0.039 0.000 2.095 354 L HA -0.072 4.269 4.340 0.001 0.000 0.204 354 L C 2.653 179.588 176.870 0.108 0.000 1.080 354 L CA 0.934 55.797 54.840 0.038 0.000 0.759 354 L CB -0.389 41.673 42.059 0.004 0.000 0.914 354 L HN 0.146 nan 8.230 nan 0.000 0.439 355 V N -2.896 117.105 119.914 0.146 0.000 2.591 355 V HA -0.141 3.980 4.120 0.001 0.000 0.249 355 V C 2.198 178.431 176.094 0.233 0.000 1.053 355 V CA 0.980 63.510 62.300 0.384 0.000 1.068 355 V CB -0.545 31.532 31.823 0.424 0.000 0.689 355 V HN 0.300 nan 8.190 nan 0.000 0.462 356 L N 1.028 122.325 121.223 0.124 0.000 2.056 356 L HA -0.157 4.183 4.340 0.001 0.000 0.207 356 L C 3.070 179.930 176.870 -0.017 0.000 1.078 356 L CA 1.961 56.850 54.840 0.081 0.000 0.749 356 L CB -0.828 41.297 42.059 0.110 0.000 0.901 356 L HN 0.700 nan 8.230 nan 0.000 0.433 357 C N -1.351 117.855 119.300 -0.157 0.000 2.425 357 C HA -0.120 4.340 4.460 0.001 0.000 0.277 357 C C 2.224 176.996 174.990 -0.363 0.000 1.280 357 C CA 0.425 59.083 59.018 -0.601 0.000 1.744 357 C CB -0.828 26.027 27.740 -1.475 0.000 1.989 357 C HN 0.472 nan 8.230 nan 0.000 0.491 358 D N 0.855 121.163 120.400 -0.153 0.000 2.183 358 D HA -0.033 4.607 4.640 0.001 0.000 0.203 358 D C 2.370 178.665 176.300 -0.008 0.000 0.969 358 D CA 1.827 55.809 54.000 -0.031 0.000 0.842 358 D CB -0.403 40.410 40.800 0.022 0.000 0.957 358 D HN 0.573 nan 8.370 nan 0.000 0.484 359 T N 0.928 115.456 114.554 -0.044 0.000 2.904 359 T HA 0.006 4.356 4.350 0.001 0.000 0.267 359 T C 2.211 177.000 174.700 0.149 0.000 1.059 359 T CA 0.295 62.396 62.100 0.002 0.000 1.137 359 T CB -0.036 68.801 68.868 -0.052 0.000 0.879 359 T HN 0.116 nan 8.240 nan 0.000 0.467 360 L N 0.827 122.131 121.223 0.134 0.000 2.083 360 L HA -0.125 4.216 4.340 0.001 0.000 0.209 360 L C 2.882 179.922 176.870 0.284 0.000 1.083 360 L CA 1.165 56.147 54.840 0.237 0.000 0.752 360 L CB -0.983 41.168 42.059 0.153 0.000 0.899 360 L HN 0.282 nan 8.230 nan 0.000 0.433 361 T N -1.405 113.273 114.554 0.207 0.000 2.708 361 T HA -0.267 4.083 4.350 0.001 0.000 0.266 361 T C 1.696 176.508 174.700 0.186 0.000 1.037 361 T CA 1.398 63.608 62.100 0.183 0.000 1.146 361 T CB -0.416 68.552 68.868 0.167 0.000 0.865 361 T HN 0.308 nan 8.240 nan 0.000 0.435 362 Y N 1.966 122.312 120.300 0.076 0.000 2.207 362 Y HA -0.141 4.410 4.550 0.001 0.000 0.287 362 Y C 2.469 178.447 175.900 0.130 0.000 1.156 362 Y CA 1.031 59.166 58.100 0.058 0.000 1.182 362 Y CB -0.466 38.009 38.460 0.025 0.000 0.979 362 Y HN 0.205 nan 8.280 nan 0.000 0.521 363 A N 0.030 123.054 122.820 0.341 0.000 2.125 363 A HA -0.190 4.131 4.320 0.001 0.000 0.219 363 A C 1.956 179.704 177.584 0.273 0.000 1.156 363 A CA 1.603 53.865 52.037 0.376 0.000 0.671 363 A CB -0.649 18.485 19.000 0.223 0.000 0.794 363 A HN 0.675 nan 8.150 nan 0.000 0.459 364 E N -0.068 120.271 120.200 0.232 0.000 2.160 364 E HA -0.252 4.099 4.350 0.001 0.000 0.195 364 E C 2.183 178.771 176.600 -0.019 0.000 0.991 364 E CA 1.312 57.831 56.400 0.199 0.000 0.810 364 E CB -0.247 29.520 29.700 0.112 0.000 0.742 364 E HN 0.841 nan 8.360 nan 0.000 0.466 365 R N 0.498 120.837 120.500 -0.269 0.000 2.159 365 R HA -0.134 4.207 4.340 0.001 0.000 0.237 365 R C 1.454 177.454 176.300 -0.500 0.000 1.131 365 R CA 1.350 57.160 56.100 -0.484 0.000 0.982 365 R CB -0.510 29.332 30.300 -0.763 0.000 0.868 365 R HN 0.130 nan 8.270 nan 0.000 0.453 366 F N 1.439 121.342 119.950 -0.078 0.000 2.780 366 F HA 0.207 4.735 4.527 0.001 0.000 0.299 366 F C 0.333 176.103 175.800 -0.050 0.000 1.146 366 F CA 0.042 58.005 58.000 -0.061 0.000 1.428 366 F CB 0.116 39.082 39.000 -0.056 0.000 1.115 366 F HN -0.160 nan 8.300 nan 0.000 0.583 367 K N 0.144 120.593 120.400 0.082 0.000 3.451 367 K HA -0.173 4.148 4.320 0.001 0.000 0.273 367 K C -2.693 173.936 176.600 0.048 0.000 0.944 367 K CA 0.190 56.515 56.287 0.063 0.000 0.734 367 K CB -1.993 30.520 32.500 0.021 0.000 1.437 367 K HN 0.241 nan 8.250 nan 0.000 0.454 368 P HA 0.032 nan 4.420 nan 0.000 0.276 368 P C 0.666 177.922 177.300 -0.074 0.000 1.244 368 P CA -0.233 62.834 63.100 -0.055 0.000 0.801 368 P CB 0.620 32.243 31.700 -0.129 0.000 1.006 369 Q N 0.998 120.681 119.800 -0.196 0.000 2.398 369 Q HA 0.362 4.702 4.340 0.001 0.000 0.204 369 Q C 0.039 176.000 176.000 -0.065 0.000 0.932 369 Q CA 0.093 55.798 55.803 -0.162 0.000 0.916 369 Q CB 0.280 28.847 28.738 -0.285 0.000 1.024 369 Q HN 0.437 nan 8.270 nan 0.000 0.504 370 A N 0.311 123.090 122.820 -0.069 0.000 2.577 370 A HA 0.589 4.909 4.320 0.001 0.000 0.297 370 A C -1.529 176.071 177.584 0.027 0.000 1.060 370 A CA -0.625 51.471 52.037 0.098 0.000 0.697 370 A CB 2.164 21.363 19.000 0.331 0.000 1.281 370 A HN 0.050 nan 8.150 nan 0.000 0.402 371 V N 2.798 122.724 119.914 0.021 0.000 2.483 371 V HA 0.539 4.659 4.120 0.001 0.000 0.297 371 V C -0.747 175.419 176.094 0.120 0.000 1.027 371 V CA -0.149 62.138 62.300 -0.021 0.000 0.855 371 V CB 1.409 33.046 31.823 -0.311 0.000 0.995 371 V HN 0.708 nan 8.190 nan 0.000 0.424 372 I N 4.921 125.526 120.570 0.059 0.000 2.418 372 I HA 0.453 4.624 4.170 0.001 0.000 0.287 372 I C -0.893 175.264 176.117 0.068 0.000 1.008 372 I CA -0.599 60.689 61.300 -0.019 0.000 1.104 372 I CB 2.080 39.998 38.000 -0.137 0.000 1.264 372 I HN 0.673 nan 8.210 nan 0.000 0.438 373 D N 7.092 127.577 120.400 0.142 0.000 2.175 373 D HA 0.616 5.257 4.640 0.001 0.000 0.248 373 D C -0.681 175.705 176.300 0.143 0.000 1.047 373 D CA -0.357 53.774 54.000 0.218 0.000 0.883 373 D CB 2.015 43.055 40.800 0.400 0.000 1.180 373 D HN 0.208 nan 8.370 nan 0.000 0.438 374 I N 0.731 121.371 120.570 0.117 0.000 2.466 374 I HA 0.672 4.842 4.170 0.001 0.000 0.289 374 I C -0.454 175.727 176.117 0.106 0.000 1.026 374 I CA -0.534 60.803 61.300 0.061 0.000 1.078 374 I CB 1.941 39.957 38.000 0.027 0.000 1.249 374 I HN 0.709 nan 8.210 nan 0.000 0.429 375 A N 2.552 125.433 122.820 0.102 0.000 2.589 375 A HA 0.685 5.006 4.320 0.001 0.000 0.296 375 A C -0.330 177.322 177.584 0.113 0.000 1.062 375 A CA -0.678 51.444 52.037 0.141 0.000 0.686 375 A CB 1.244 20.381 19.000 0.229 0.000 1.282 375 A HN 0.666 nan 8.150 nan 0.000 0.404 376 T N 1.039 115.674 114.554 0.135 0.000 4.104 376 T HA 0.309 4.659 4.350 0.001 0.000 0.285 376 T C 0.656 175.438 174.700 0.136 0.000 1.346 376 T CA -0.120 62.075 62.100 0.158 0.000 1.158 376 T CB -0.159 68.884 68.868 0.292 0.000 1.290 376 T HN 0.636 nan 8.240 nan 0.000 0.975 377 L N 2.559 123.850 121.223 0.113 0.000 2.316 377 L HA 0.354 4.695 4.340 0.001 0.000 0.207 377 L C 0.865 177.783 176.870 0.081 0.000 1.070 377 L CA 1.213 56.125 54.840 0.119 0.000 0.820 377 L CB -0.206 41.974 42.059 0.203 0.000 0.992 377 L HN 0.791 nan 8.230 nan 0.000 0.466 378 T N -4.457 110.132 114.554 0.059 0.000 2.921 378 T HA 0.516 4.867 4.350 0.001 0.000 0.297 378 T C 0.955 175.660 174.700 0.008 0.000 1.013 378 T CA -0.266 61.855 62.100 0.034 0.000 0.990 378 T CB 1.312 70.202 68.868 0.037 0.000 1.023 378 T HN 0.126 nan 8.240 nan 0.000 0.447 379 G N 1.292 110.097 108.800 0.008 0.000 2.462 379 G HA2 0.013 3.974 3.960 0.001 0.000 0.220 379 G HA3 0.013 3.974 3.960 0.001 0.000 0.220 379 G C 1.551 176.437 174.900 -0.024 0.000 1.121 379 G CA 0.696 45.789 45.100 -0.012 0.000 0.758 379 G HN 1.170 nan 8.290 nan 0.000 0.559 380 A N -0.294 122.519 122.820 -0.012 0.000 2.019 380 A HA -0.072 4.249 4.320 0.001 0.000 0.219 380 A C 2.487 180.054 177.584 -0.029 0.000 1.164 380 A CA 1.572 53.600 52.037 -0.015 0.000 0.644 380 A CB -0.998 18.000 19.000 -0.004 0.000 0.805 380 A HN 0.458 nan 8.150 nan 0.000 0.449 381 C N -0.444 118.836 119.300 -0.033 0.000 2.435 381 C HA -0.027 4.434 4.460 0.001 0.000 0.279 381 C C 2.521 177.466 174.990 -0.075 0.000 1.321 381 C CA 0.990 59.979 59.018 -0.049 0.000 1.752 381 C CB -1.341 26.369 27.740 -0.050 0.000 1.959 381 C HN 0.616 nan 8.230 nan 0.000 0.500 382 I N 0.059 120.574 120.570 -0.092 0.000 2.315 382 I HA -0.116 4.055 4.170 0.001 0.000 0.248 382 I C 2.401 178.464 176.117 -0.089 0.000 1.117 382 I CA 1.122 62.350 61.300 -0.119 0.000 1.404 382 I CB -0.531 37.383 38.000 -0.143 0.000 1.071 382 I HN 0.129 nan 8.210 nan 0.000 0.419 383 V N 1.182 121.058 119.914 -0.063 0.000 2.427 383 V HA -0.243 3.878 4.120 0.001 0.000 0.248 383 V C 2.696 178.761 176.094 -0.049 0.000 1.051 383 V CA 2.002 64.272 62.300 -0.049 0.000 1.048 383 V CB -0.827 30.977 31.823 -0.032 0.000 0.666 383 V HN 0.483 nan 8.190 nan 0.000 0.456 384 A N -0.931 121.860 122.820 -0.048 0.000 1.898 384 A HA 0.070 4.391 4.320 0.001 0.000 0.214 384 A C 1.941 179.484 177.584 -0.069 0.000 1.183 384 A CA 1.400 53.409 52.037 -0.047 0.000 0.622 384 A CB -0.135 18.846 19.000 -0.032 0.000 0.824 384 A HN 0.497 nan 8.150 nan 0.000 0.444 385 L N -2.117 119.061 121.223 -0.076 0.000 3.086 385 L HA 0.373 4.713 4.340 0.001 0.000 0.274 385 L C 1.192 178.006 176.870 -0.095 0.000 1.184 385 L CA 0.111 54.897 54.840 -0.090 0.000 1.002 385 L CB 0.359 42.379 42.059 -0.065 0.000 1.383 385 L HN 0.623 nan 8.230 nan 0.000 0.582 386 G N 1.413 110.146 108.800 -0.111 0.000 2.575 386 G HA2 -0.374 3.587 3.960 0.001 0.000 0.267 386 G HA3 -0.374 3.587 3.960 0.001 0.000 0.267 386 G C 0.698 175.462 174.900 -0.227 0.000 1.264 386 G CA 0.323 45.334 45.100 -0.147 0.000 0.935 386 G HN 0.384 nan 8.290 nan 0.000 0.568 387 S N -1.229 114.253 115.700 -0.364 0.000 2.575 387 S HA 0.175 4.645 4.470 0.001 0.000 0.215 387 S C 1.396 175.683 174.600 -0.521 0.000 0.966 387 S CA 1.187 59.099 58.200 -0.479 0.000 0.911 387 S CB -0.036 62.824 63.200 -0.566 0.000 0.780 387 S HN 0.715 nan 8.310 nan 0.000 0.514 388 H N 1.163 120.171 119.070 -0.103 0.000 2.553 388 H HA 0.296 4.852 4.556 0.001 0.000 0.276 388 H C -0.109 175.180 175.328 -0.066 0.000 0.979 388 H CA 0.748 56.747 56.048 -0.082 0.000 1.268 388 H CB 0.440 30.154 29.762 -0.080 0.000 1.450 388 H HN 0.357 nan 8.280 nan 0.000 0.527 389 T N 1.205 115.766 114.554 0.012 0.000 2.928 389 T HA 0.241 4.592 4.350 0.001 0.000 0.296 389 T C -0.034 174.660 174.700 -0.010 0.000 1.000 389 T CA -0.585 61.529 62.100 0.023 0.000 0.989 389 T CB 2.624 71.507 68.868 0.024 0.000 1.005 389 T HN -0.073 nan 8.240 nan 0.000 0.442 390 T N 2.597 117.146 114.554 -0.008 0.000 2.907 390 T HA 0.479 4.830 4.350 0.001 0.000 0.298 390 T C 0.965 175.648 174.700 -0.028 0.000 1.017 390 T CA -0.398 61.675 62.100 -0.045 0.000 1.118 390 T CB 0.736 69.569 68.868 -0.058 0.000 0.948 390 T HN 0.735 nan 8.240 nan 0.000 0.531 391 G N 1.789 110.549 108.800 -0.067 0.000 2.390 391 G HA2 0.505 4.466 3.960 0.001 0.000 0.270 391 G HA3 0.505 4.466 3.960 0.001 0.000 0.270 391 G C -1.033 173.779 174.900 -0.146 0.000 1.211 391 G CA -0.323 44.740 45.100 -0.062 0.000 0.842 391 G HN 0.584 nan 8.290 nan 0.000 0.519 392 L N 2.453 123.601 121.223 -0.126 0.000 2.410 392 L HA 0.804 5.145 4.340 0.001 0.000 0.270 392 L C -0.405 176.357 176.870 -0.180 0.000 0.983 392 L CA -0.689 54.034 54.840 -0.196 0.000 0.822 392 L CB 1.860 43.814 42.059 -0.174 0.000 1.285 392 L HN 0.567 nan 8.230 nan 0.000 0.409 393 M N 3.299 122.772 119.600 -0.213 0.000 2.593 393 M HA 0.889 5.370 4.480 0.001 0.000 0.290 393 M C -0.204 175.892 176.300 -0.341 0.000 1.244 393 M CA -0.561 54.633 55.300 -0.177 0.000 0.857 393 M CB 2.545 35.135 32.600 -0.017 0.000 1.738 393 M HN 0.770 nan 8.290 nan 0.000 0.461 394 G N 0.591 109.238 108.800 -0.255 0.000 2.488 394 G HA2 0.317 4.278 3.960 0.001 0.000 0.301 394 G HA3 0.317 4.278 3.960 0.001 0.000 0.301 394 G C -1.209 173.730 174.900 0.066 0.000 1.339 394 G CA -0.555 44.330 45.100 -0.359 0.000 0.803 394 G HN 0.782 nan 8.290 nan 0.000 0.482 395 N N -1.001 117.849 118.700 0.249 0.000 2.187 395 N HA 0.200 4.941 4.740 0.001 0.000 0.212 395 N C -0.148 175.472 175.510 0.184 0.000 1.152 395 N CA -0.373 52.857 53.050 0.299 0.000 0.872 395 N CB 0.754 39.483 38.487 0.403 0.000 1.025 395 N HN 0.337 nan 8.380 nan 0.000 0.514 396 N N -0.017 118.758 118.700 0.124 0.000 2.500 396 N HA 0.241 4.982 4.740 0.001 0.000 0.291 396 N C -0.635 174.904 175.510 0.049 0.000 1.092 396 N CA -0.351 52.756 53.050 0.096 0.000 0.890 396 N CB 1.723 40.282 38.487 0.119 0.000 1.466 396 N HN -0.176 nan 8.380 nan 0.000 0.507 397 D N 1.375 121.801 120.400 0.043 0.000 2.183 397 D HA -0.082 4.559 4.640 0.001 0.000 0.203 397 D C 0.499 176.808 176.300 0.015 0.000 0.969 397 D CA 1.030 55.041 54.000 0.018 0.000 0.842 397 D CB 0.334 41.148 40.800 0.023 0.000 0.957 397 D HN 0.596 nan 8.370 nan 0.000 0.484 398 D N 0.129 120.552 120.400 0.037 0.000 2.117 398 D HA -0.105 4.536 4.640 0.001 0.000 0.198 398 D C 2.076 178.410 176.300 0.058 0.000 0.982 398 D CA 0.284 54.312 54.000 0.046 0.000 0.828 398 D CB -0.189 40.649 40.800 0.064 0.000 0.967 398 D HN 0.130 nan 8.370 nan 0.000 0.464 399 L N 0.417 121.677 121.223 0.063 0.000 2.056 399 L HA -0.087 4.254 4.340 0.001 0.000 0.207 399 L C 2.105 178.961 176.870 -0.024 0.000 1.078 399 L CA 1.269 56.147 54.840 0.063 0.000 0.749 399 L CB -0.520 41.568 42.059 0.048 0.000 0.901 399 L HN -0.128 nan 8.230 nan 0.000 0.433 400 V N 0.286 120.167 119.914 -0.056 0.000 2.343 400 V HA -0.215 3.905 4.120 0.001 0.000 0.247 400 V C 2.608 178.650 176.094 -0.086 0.000 1.051 400 V CA 1.827 64.062 62.300 -0.107 0.000 1.036 400 V CB -1.556 30.198 31.823 -0.116 0.000 0.654 400 V HN 0.636 nan 8.190 nan 0.000 0.451 401 G N -1.462 107.310 108.800 -0.048 0.000 2.408 401 G HA2 -0.243 3.718 3.960 0.001 0.000 0.217 401 G HA3 -0.243 3.718 3.960 0.001 0.000 0.217 401 G C 1.493 176.392 174.900 -0.002 0.000 1.150 401 G CA 0.628 45.705 45.100 -0.038 0.000 0.776 401 G HN 0.534 nan 8.290 nan 0.000 0.542 402 Q N -0.379 119.448 119.800 0.044 0.000 2.084 402 Q HA 0.051 4.391 4.340 0.001 0.000 0.202 402 Q C 2.627 178.694 176.000 0.111 0.000 0.978 402 Q CA 0.849 56.722 55.803 0.117 0.000 0.844 402 Q CB -0.210 28.677 28.738 0.248 0.000 0.898 402 Q HN 0.438 nan 8.270 nan 0.000 0.426 403 L N -0.093 121.132 121.223 0.002 0.000 2.056 403 L HA -0.202 4.139 4.340 0.001 0.000 0.207 403 L C 2.042 178.888 176.870 -0.040 0.000 1.078 403 L CA 0.520 55.316 54.840 -0.074 0.000 0.749 403 L CB -0.324 41.608 42.059 -0.212 0.000 0.901 403 L HN 0.223 nan 8.230 nan 0.000 0.433 404 L N -0.299 120.890 121.223 -0.057 0.000 2.017 404 L HA -0.246 4.095 4.340 0.001 0.000 0.208 404 L C 2.161 179.025 176.870 -0.010 0.000 1.073 404 L CA 1.839 56.648 54.840 -0.052 0.000 0.745 404 L CB -0.926 41.069 42.059 -0.107 0.000 0.894 404 L HN 0.224 nan 8.230 nan 0.000 0.432 405 D N -0.695 119.707 120.400 0.004 0.000 2.117 405 D HA -0.148 4.493 4.640 0.001 0.000 0.198 405 D C 2.213 178.539 176.300 0.043 0.000 0.982 405 D CA 1.188 55.202 54.000 0.024 0.000 0.828 405 D CB 0.056 40.872 40.800 0.026 0.000 0.967 405 D HN 0.242 nan 8.370 nan 0.000 0.464 406 A N 0.108 122.964 122.820 0.060 0.000 1.892 406 A HA -0.088 4.232 4.320 0.001 0.000 0.218 406 A C 2.378 179.994 177.584 0.053 0.000 1.188 406 A CA 2.199 54.279 52.037 0.071 0.000 0.631 406 A CB -1.446 17.623 19.000 0.115 0.000 0.822 406 A HN 0.379 nan 8.150 nan 0.000 0.447 407 G N -0.634 108.188 108.800 0.037 0.000 2.422 407 G HA2 -0.213 3.748 3.960 0.001 0.000 0.218 407 G HA3 -0.213 3.748 3.960 0.001 0.000 0.218 407 G C 1.670 176.598 174.900 0.046 0.000 1.146 407 G CA 1.091 46.212 45.100 0.034 0.000 0.769 407 G HN 0.595 nan 8.290 nan 0.000 0.547 408 K N -0.059 120.370 120.400 0.049 0.000 2.057 408 K HA -0.005 4.315 4.320 0.001 0.000 0.207 408 K C 2.680 179.314 176.600 0.056 0.000 1.049 408 K CA 0.894 57.214 56.287 0.055 0.000 0.931 408 K CB -0.130 32.401 32.500 0.052 0.000 0.714 408 K HN 0.136 nan 8.250 nan 0.000 0.440 409 R N -0.024 120.512 120.500 0.061 0.000 2.148 409 R HA 0.022 4.362 4.340 0.001 0.000 0.223 409 R C 1.986 178.331 176.300 0.075 0.000 1.088 409 R CA 0.940 57.086 56.100 0.077 0.000 0.985 409 R CB 0.010 30.366 30.300 0.094 0.000 0.880 409 R HN 0.138 nan 8.270 nan 0.000 0.451 410 A N 0.739 123.596 122.820 0.063 0.000 2.218 410 A HA -0.041 4.280 4.320 0.001 0.000 0.209 410 A C 0.240 177.850 177.584 0.043 0.000 1.168 410 A CA 0.416 52.484 52.037 0.053 0.000 0.804 410 A CB 0.120 19.148 19.000 0.045 0.000 0.834 410 A HN 0.362 nan 8.150 nan 0.000 0.482 411 D N -0.769 119.658 120.400 0.046 0.000 2.699 411 D HA -0.168 4.473 4.640 0.001 0.000 0.239 411 D C -0.577 175.743 176.300 0.034 0.000 1.136 411 D CA 1.253 55.278 54.000 0.042 0.000 0.668 411 D CB -1.204 39.623 40.800 0.044 0.000 1.060 411 D HN 0.401 nan 8.370 nan 0.000 0.429 412 D N 0.258 120.678 120.400 0.034 0.000 2.735 412 D HA 0.222 4.863 4.640 0.001 0.000 0.291 412 D C -0.256 176.061 176.300 0.029 0.000 1.205 412 D CA -0.430 53.585 54.000 0.025 0.000 0.777 412 D CB 0.142 40.952 40.800 0.017 0.000 1.234 412 D HN 0.248 nan 8.370 nan 0.000 0.520 413 R N 0.518 121.045 120.500 0.044 0.000 2.582 413 R HA 0.746 5.087 4.340 0.001 0.000 0.271 413 R C 0.102 176.441 176.300 0.064 0.000 1.078 413 R CA -0.335 55.804 56.100 0.065 0.000 1.127 413 R CB 1.424 31.782 30.300 0.097 0.000 1.038 413 R HN 0.287 nan 8.270 nan 0.000 0.500 414 A N 2.006 124.871 122.820 0.076 0.000 2.389 414 A HA 0.662 4.982 4.320 0.001 0.000 0.293 414 A C -1.736 175.972 177.584 0.206 0.000 1.186 414 A CA -0.586 51.500 52.037 0.081 0.000 0.828 414 A CB 1.607 20.601 19.000 -0.010 0.000 1.369 414 A HN 0.741 nan 8.150 nan 0.000 0.446 415 W N 0.661 121.918 121.300 -0.072 0.000 3.439 415 W HA 0.333 4.994 4.660 0.001 0.000 0.323 415 W C -1.177 175.294 176.519 -0.081 0.000 1.174 415 W CA -0.189 57.118 57.345 -0.062 0.000 1.224 415 W CB 1.443 30.873 29.460 -0.050 0.000 1.348 415 W HN 0.937 nan 8.180 nan 0.000 0.498 416 Q N 3.878 123.393 119.800 -0.474 0.000 2.327 416 Q HA 0.436 4.777 4.340 0.001 0.000 0.254 416 Q C -1.017 174.890 176.000 -0.154 0.000 0.952 416 Q CA 0.197 55.825 55.803 -0.293 0.000 0.884 416 Q CB 1.051 29.577 28.738 -0.353 0.000 1.224 416 Q HN 0.546 nan 8.270 nan 0.000 0.422 417 L N 5.321 126.484 121.223 -0.101 0.000 2.333 417 L HA 0.633 4.974 4.340 0.001 0.000 0.269 417 L C -2.194 174.559 176.870 -0.194 0.000 1.010 417 L CA -2.331 52.450 54.840 -0.098 0.000 0.818 417 L CB 1.989 44.005 42.059 -0.071 0.000 1.306 417 L HN 0.650 nan 8.230 nan 0.000 0.430 418 P HA 0.237 nan 4.420 nan 0.000 0.288 418 P C -0.803 176.258 177.300 -0.398 0.000 1.267 418 P CA -0.354 62.433 63.100 -0.522 0.000 0.815 418 P CB 1.298 32.239 31.700 -1.265 0.000 0.989 419 L N 3.059 124.177 121.223 -0.174 0.000 2.923 419 L HA 0.292 4.633 4.340 0.001 0.000 0.231 419 L C 0.196 177.226 176.870 0.267 0.000 1.300 419 L CA -0.687 54.184 54.840 0.051 0.000 1.184 419 L CB -0.714 41.431 42.059 0.143 0.000 1.511 419 L HN 0.180 nan 8.230 nan 0.000 0.448 420 F N 0.243 120.417 119.950 0.373 0.000 2.496 420 F HA -0.032 4.496 4.527 0.001 0.000 0.344 420 F C 1.666 177.599 175.800 0.223 0.000 1.155 420 F CA -0.404 57.754 58.000 0.264 0.000 1.302 420 F CB 0.336 39.460 39.000 0.206 0.000 1.159 420 F HN 0.207 nan 8.300 nan 0.000 0.595 421 D N 0.677 121.265 120.400 0.313 0.000 2.218 421 D HA -0.156 4.485 4.640 0.001 0.000 0.204 421 D C 1.600 177.968 176.300 0.114 0.000 0.976 421 D CA 1.254 55.356 54.000 0.171 0.000 0.853 421 D CB 0.178 41.030 40.800 0.087 0.000 0.939 421 D HN 0.538 nan 8.370 nan 0.000 0.481 422 E N -0.969 119.251 120.200 0.033 0.000 2.267 422 E HA -0.177 4.174 4.350 0.001 0.000 0.197 422 E C 1.346 177.888 176.600 -0.097 0.000 0.998 422 E CA 0.834 57.180 56.400 -0.090 0.000 0.830 422 E CB -0.337 29.227 29.700 -0.227 0.000 0.751 422 E HN 0.598 nan 8.360 nan 0.000 0.491 423 Y N 0.295 120.676 120.300 0.136 0.000 2.516 423 Y HA -0.065 4.486 4.550 0.001 0.000 0.291 423 Y C 2.118 178.075 175.900 0.095 0.000 1.131 423 Y CA 0.325 58.492 58.100 0.111 0.000 1.281 423 Y CB 0.213 38.742 38.460 0.115 0.000 1.013 423 Y HN -0.003 nan 8.280 nan 0.000 0.554 424 Q N 0.854 120.784 119.800 0.217 0.000 2.167 424 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 424 Q C 1.884 177.951 176.000 0.111 0.000 0.970 424 Q CA 1.689 57.583 55.803 0.150 0.000 0.855 424 Q CB -0.391 28.409 28.738 0.103 0.000 0.911 424 Q HN 0.768 nan 8.270 nan 0.000 0.438 425 E N 0.324 120.574 120.200 0.084 0.000 2.333 425 E HA -0.193 4.157 4.350 0.001 0.000 0.198 425 E C 1.580 178.222 176.600 0.070 0.000 1.007 425 E CA 0.694 57.128 56.400 0.057 0.000 0.845 425 E CB -0.213 29.506 29.700 0.030 0.000 0.766 425 E HN 0.380 nan 8.360 nan 0.000 0.507 426 Q N 0.443 120.305 119.800 0.103 0.000 2.291 426 Q HA -0.030 4.310 4.340 0.001 0.000 0.206 426 Q C 1.752 177.816 176.000 0.107 0.000 0.976 426 Q CA 0.890 56.757 55.803 0.106 0.000 0.875 426 Q CB -0.045 28.779 28.738 0.142 0.000 0.927 426 Q HN 0.430 nan 8.270 nan 0.000 0.450 427 L N 0.622 121.920 121.223 0.124 0.000 2.611 427 L HA 0.097 4.438 4.340 0.001 0.000 0.229 427 L C -0.157 176.778 176.870 0.109 0.000 1.137 427 L CA -0.435 54.492 54.840 0.144 0.000 0.901 427 L CB 0.085 42.264 42.059 0.200 0.000 1.098 427 L HN 0.013 nan 8.230 nan 0.000 0.456 428 D N 0.521 120.962 120.400 0.068 0.000 2.399 428 D HA 0.128 4.768 4.640 0.001 0.000 0.241 428 D C 0.179 176.494 176.300 0.025 0.000 1.133 428 D CA 0.442 54.463 54.000 0.036 0.000 0.890 428 D CB 1.389 42.195 40.800 0.010 0.000 1.201 428 D HN -0.082 nan 8.370 nan 0.000 0.432 429 S N 0.953 116.657 115.700 0.007 0.000 2.526 429 S HA 0.506 4.977 4.470 0.001 0.000 0.293 429 S C -2.057 172.459 174.600 -0.141 0.000 1.092 429 S CA -1.432 56.755 58.200 -0.023 0.000 0.980 429 S CB 1.616 64.858 63.200 0.069 0.000 1.048 429 S HN 0.095 nan 8.310 nan 0.000 0.483 430 P HA 0.155 nan 4.420 nan 0.000 0.233 430 P C 0.277 177.221 177.300 -0.593 0.000 1.167 430 P CA 0.753 63.514 63.100 -0.564 0.000 0.770 430 P CB -0.028 31.092 31.700 -0.967 0.000 0.837 431 F N -0.558 119.409 119.950 0.029 0.000 2.537 431 F HA 0.413 4.941 4.527 0.001 0.000 0.277 431 F C 1.572 177.390 175.800 0.030 0.000 1.013 431 F CA -0.224 57.793 58.000 0.028 0.000 1.332 431 F CB -0.969 38.049 39.000 0.031 0.000 1.108 431 F HN -0.205 nan 8.300 nan 0.000 0.679 432 A N -0.016 122.929 122.820 0.209 0.000 2.282 432 A HA 0.409 4.730 4.320 0.001 0.000 0.324 432 A C 0.656 178.289 177.584 0.082 0.000 1.119 432 A CA -0.334 51.789 52.037 0.144 0.000 0.880 432 A CB 0.153 19.250 19.000 0.162 0.000 1.294 432 A HN 0.110 nan 8.150 nan 0.000 0.493 433 D N -0.253 120.185 120.400 0.063 0.000 2.178 433 D HA -0.019 4.622 4.640 0.001 0.000 0.201 433 D C 0.686 177.002 176.300 0.027 0.000 0.980 433 D CA 2.089 56.101 54.000 0.019 0.000 0.842 433 D CB -0.145 40.647 40.800 -0.014 0.000 0.948 433 D HN 0.625 nan 8.370 nan 0.000 0.472 434 M N -2.628 117.022 119.600 0.082 0.000 2.603 434 M HA 0.564 5.045 4.480 0.001 0.000 0.275 434 M C -0.405 176.015 176.300 0.200 0.000 1.226 434 M CA -0.988 54.386 55.300 0.123 0.000 0.870 434 M CB 1.970 34.643 32.600 0.121 0.000 1.716 434 M HN -0.184 nan 8.290 nan 0.000 0.482 435 G N 0.665 109.589 108.800 0.206 0.000 2.502 435 G HA2 0.414 4.375 3.960 0.001 0.000 0.305 435 G HA3 0.414 4.375 3.960 0.001 0.000 0.305 435 G C 0.161 175.232 174.900 0.285 0.000 1.190 435 G CA -0.406 44.821 45.100 0.212 0.000 0.933 435 G HN 0.948 nan 8.290 nan 0.000 0.503 436 N N -1.009 117.770 118.700 0.133 0.000 2.280 436 N HA 0.033 4.774 4.740 0.001 0.000 0.192 436 N C 0.484 175.900 175.510 -0.157 0.000 1.109 436 N CA 0.012 52.978 53.050 -0.140 0.000 0.855 436 N CB -0.040 38.266 38.487 -0.302 0.000 0.974 436 N HN 0.624 nan 8.380 nan 0.000 0.482 437 I N -5.526 115.041 120.570 -0.006 0.000 2.785 437 I HA 0.736 4.907 4.170 0.001 0.000 0.302 437 I C 0.462 176.614 176.117 0.059 0.000 1.069 437 I CA -1.376 59.926 61.300 0.003 0.000 1.045 437 I CB 2.268 40.268 38.000 -0.001 0.000 1.236 437 I HN -0.207 nan 8.210 nan 0.000 0.429 438 G N 1.975 110.812 108.800 0.061 0.000 3.324 438 G HA2 0.594 4.554 3.960 0.001 0.000 0.251 438 G HA3 0.594 4.554 3.960 0.001 0.000 0.251 438 G C 0.539 175.483 174.900 0.073 0.000 1.072 438 G CA -0.063 45.088 45.100 0.085 0.000 0.787 438 G HN 1.467 nan 8.290 nan 0.000 0.537 439 G N 0.681 109.513 108.800 0.054 0.000 2.685 439 G HA2 -0.083 3.878 3.960 0.001 0.000 0.387 439 G HA3 -0.083 3.878 3.960 0.001 0.000 0.387 439 G C -1.077 173.851 174.900 0.046 0.000 1.324 439 G CA -0.128 45.001 45.100 0.048 0.000 0.878 439 G HN 0.113 nan 8.290 nan 0.000 0.527 440 P HA 0.105 nan 4.420 nan 0.000 0.229 440 P C 0.503 177.829 177.300 0.045 0.000 1.160 440 P CA 0.972 64.094 63.100 0.037 0.000 0.777 440 P CB 0.159 31.878 31.700 0.032 0.000 0.814 441 K N 0.371 120.809 120.400 0.063 0.000 2.172 441 K HA 0.504 4.825 4.320 0.001 0.000 0.276 441 K C 0.308 176.962 176.600 0.089 0.000 1.013 441 K CA -0.173 56.162 56.287 0.081 0.000 0.913 441 K CB 0.882 33.445 32.500 0.105 0.000 1.055 441 K HN -0.053 nan 8.250 nan 0.000 0.461 442 A N 2.293 125.152 122.820 0.065 0.000 2.791 442 A HA -0.181 4.139 4.320 0.001 0.000 0.292 442 A C 1.254 178.827 177.584 -0.020 0.000 1.487 442 A CA 0.868 52.904 52.037 -0.002 0.000 0.760 442 A CB -2.212 16.779 19.000 -0.016 0.000 1.031 442 A HN 1.094 nan 8.150 nan 0.000 0.503 443 G N -1.113 107.690 108.800 0.004 0.000 2.432 443 G HA2 -0.036 3.925 3.960 0.001 0.000 0.219 443 G HA3 -0.036 3.925 3.960 0.001 0.000 0.219 443 G C 1.342 176.249 174.900 0.011 0.000 1.135 443 G CA 1.916 47.024 45.100 0.013 0.000 0.767 443 G HN 0.779 nan 8.290 nan 0.000 0.550 444 T N 1.198 115.751 114.554 -0.002 0.000 2.777 444 T HA 0.001 4.352 4.350 0.001 0.000 0.266 444 T C 2.374 177.089 174.700 0.025 0.000 1.040 444 T CA 0.757 62.872 62.100 0.025 0.000 1.141 444 T CB -0.099 68.769 68.868 0.001 0.000 0.868 444 T HN 0.240 nan 8.240 nan 0.000 0.444 445 I N 1.834 122.359 120.570 -0.075 0.000 2.252 445 I HA -0.176 3.995 4.170 0.001 0.000 0.245 445 I C 2.929 179.016 176.117 -0.050 0.000 1.102 445 I CA 1.545 62.751 61.300 -0.158 0.000 1.385 445 I CB -0.609 37.086 38.000 -0.509 0.000 1.064 445 I HN 0.405 nan 8.210 nan 0.000 0.414 446 T N -1.027 113.519 114.554 -0.012 0.000 2.904 446 T HA -0.005 4.346 4.350 0.001 0.000 0.267 446 T C 1.967 176.747 174.700 0.134 0.000 1.059 446 T CA 0.812 62.966 62.100 0.089 0.000 1.137 446 T CB -0.352 68.582 68.868 0.110 0.000 0.879 446 T HN 0.316 nan 8.240 nan 0.000 0.467 447 A N 1.927 124.806 122.820 0.098 0.000 1.902 447 A HA 0.249 4.570 4.320 0.001 0.000 0.217 447 A C 2.724 180.391 177.584 0.138 0.000 1.181 447 A CA 1.604 53.704 52.037 0.105 0.000 0.623 447 A CB -1.621 17.422 19.000 0.073 0.000 0.818 447 A HN 0.597 nan 8.150 nan 0.000 0.443 448 G N -0.910 107.977 108.800 0.145 0.000 2.440 448 G HA2 -0.277 3.683 3.960 0.001 0.000 0.218 448 G HA3 -0.277 3.683 3.960 0.001 0.000 0.218 448 G C 1.579 176.652 174.900 0.288 0.000 1.154 448 G CA 1.302 46.531 45.100 0.216 0.000 0.767 448 G HN 0.517 nan 8.290 nan 0.000 0.552 449 C N -0.297 119.135 119.300 0.221 0.000 2.425 449 C HA -0.004 4.457 4.460 0.001 0.000 0.277 449 C C 2.410 177.514 174.990 0.190 0.000 1.280 449 C CA 0.694 59.834 59.018 0.203 0.000 1.744 449 C CB -1.190 26.665 27.740 0.191 0.000 1.989 449 C HN 0.485 nan 8.230 nan 0.000 0.491 450 F N 1.331 121.341 119.950 0.100 0.000 2.095 450 F HA -0.142 4.385 4.527 0.001 0.000 0.298 450 F C 2.118 178.030 175.800 0.188 0.000 1.104 450 F CA 1.672 59.755 58.000 0.138 0.000 1.232 450 F CB -0.402 38.664 39.000 0.111 0.000 0.987 450 F HN 0.104 nan 8.300 nan 0.000 0.475 451 L N 0.027 121.429 121.223 0.299 0.000 2.083 451 L HA -0.216 4.125 4.340 0.001 0.000 0.209 451 L C 2.744 179.463 176.870 -0.252 0.000 1.083 451 L CA 1.367 56.273 54.840 0.111 0.000 0.752 451 L CB -1.010 41.139 42.059 0.150 0.000 0.899 451 L HN 0.345 nan 8.230 nan 0.000 0.433 452 S N 0.097 115.610 115.700 -0.312 0.000 2.419 452 S HA -0.214 4.257 4.470 0.001 0.000 0.235 452 S C 1.937 176.281 174.600 -0.425 0.000 1.019 452 S CA 0.858 58.710 58.200 -0.580 0.000 0.982 452 S CB -0.445 62.713 63.200 -0.069 0.000 0.789 452 S HN 0.427 nan 8.310 nan 0.000 0.490 453 R N -0.344 119.956 120.500 -0.332 0.000 2.339 453 R HA 0.147 4.488 4.340 0.001 0.000 0.199 453 R C 0.321 176.136 176.300 -0.810 0.000 1.018 453 R CA 0.778 56.556 56.100 -0.538 0.000 1.036 453 R CB -0.281 29.608 30.300 -0.685 0.000 0.899 453 R HN 0.547 nan 8.270 nan 0.000 0.473 454 F N -1.543 118.149 119.950 -0.430 0.000 2.706 454 F HA 0.326 4.854 4.527 0.001 0.000 0.313 454 F C 1.355 176.888 175.800 -0.445 0.000 1.096 454 F CA -0.329 57.453 58.000 -0.362 0.000 1.219 454 F CB 0.813 39.648 39.000 -0.275 0.000 1.051 454 F HN -0.114 nan 8.300 nan 0.000 0.568 455 A N -0.444 122.082 122.820 -0.491 0.000 2.535 455 A HA 0.227 4.548 4.320 0.001 0.000 0.273 455 A C 1.637 178.842 177.584 -0.633 0.000 1.267 455 A CA -0.184 51.430 52.037 -0.704 0.000 0.940 455 A CB -0.302 18.005 19.000 -1.154 0.000 1.101 455 A HN 0.186 nan 8.150 nan 0.000 0.521 456 K N 0.023 120.135 120.400 -0.479 0.000 2.365 456 K HA 0.038 4.358 4.320 0.001 0.000 0.199 456 K C 1.708 178.113 176.600 -0.325 0.000 1.045 456 K CA 0.922 57.019 56.287 -0.317 0.000 0.962 456 K CB -0.026 32.330 32.500 -0.240 0.000 0.759 456 K HN 0.429 nan 8.250 nan 0.000 0.469 457 A N 0.741 123.248 122.820 -0.522 0.000 2.208 457 A HA 0.018 4.339 4.320 0.001 0.000 0.209 457 A C 0.115 177.585 177.584 -0.190 0.000 1.161 457 A CA 0.511 52.340 52.037 -0.347 0.000 0.782 457 A CB -0.287 18.531 19.000 -0.303 0.000 0.816 457 A HN 0.351 nan 8.150 nan 0.000 0.477 458 Y N -3.977 116.350 120.300 0.046 0.000 2.689 458 Y HA 0.555 5.106 4.550 0.002 0.000 0.333 458 Y C -1.146 174.838 175.900 0.140 0.000 1.208 458 Y CA -2.988 55.161 58.100 0.081 0.000 1.055 458 Y CB -0.101 38.412 38.460 0.088 0.000 1.304 458 Y HN -0.109 nan 8.280 nan 0.000 0.455 459 N N 1.094 120.046 118.700 0.421 0.000 2.470 459 N HA 0.217 4.958 4.740 0.001 0.000 0.268 459 N C -1.497 174.291 175.510 0.464 0.000 1.136 459 N CA 0.173 53.427 53.050 0.340 0.000 0.961 459 N CB 0.776 39.390 38.487 0.212 0.000 1.067 459 N HN 0.867 nan 8.380 nan 0.000 0.468 460 W N 2.208 123.641 121.300 0.221 0.000 3.032 460 W HA 0.687 5.348 4.660 0.001 0.000 0.335 460 W C -1.658 174.941 176.519 0.133 0.000 1.154 460 W CA -0.682 56.796 57.345 0.221 0.000 1.204 460 W CB 1.105 30.776 29.460 0.352 0.000 1.416 460 W HN 0.532 nan 8.180 nan 0.000 0.521 461 A N 3.240 125.603 122.820 -0.760 0.000 2.556 461 A HA 0.649 4.970 4.320 0.001 0.000 0.294 461 A C -2.273 174.704 177.584 -1.012 0.000 1.091 461 A CA -0.650 50.791 52.037 -0.992 0.000 0.704 461 A CB 1.642 20.361 19.000 -0.468 0.000 1.300 461 A HN 0.951 nan 8.150 nan 0.000 0.406 462 H N 0.796 119.329 119.070 -0.895 0.000 2.589 462 H HA 0.746 5.302 4.556 0.001 0.000 0.351 462 H C -1.274 173.915 175.328 -0.232 0.000 1.074 462 H CA -0.666 55.135 56.048 -0.412 0.000 1.203 462 H CB 1.086 30.698 29.762 -0.251 0.000 1.558 462 H HN 0.540 nan 8.280 nan 0.000 0.522 463 M N 4.190 123.484 119.600 -0.511 0.000 2.125 463 M HA 0.189 4.670 4.480 0.001 0.000 0.321 463 M C -1.034 174.978 176.300 -0.480 0.000 0.983 463 M CA -0.740 54.301 55.300 -0.431 0.000 0.934 463 M CB 1.543 34.011 32.600 -0.220 0.000 1.542 463 M HN 0.585 nan 8.290 nan 0.000 0.424 464 D N 4.660 124.783 120.400 -0.462 0.000 2.412 464 D HA 0.304 4.945 4.640 0.001 0.000 0.224 464 D C 0.253 176.474 176.300 -0.132 0.000 1.093 464 D CA -0.321 53.536 54.000 -0.238 0.000 0.850 464 D CB 0.850 41.553 40.800 -0.162 0.000 1.046 464 D HN 0.714 nan 8.370 nan 0.000 0.507 465 I N 0.867 121.390 120.570 -0.078 0.000 3.891 465 I HA 0.352 4.522 4.170 0.001 0.000 0.331 465 I C 1.489 177.554 176.117 -0.087 0.000 1.406 465 I CA -0.528 60.732 61.300 -0.068 0.000 1.139 465 I CB 0.562 38.547 38.000 -0.025 0.000 1.056 465 I HN 0.192 nan 8.210 nan 0.000 0.399 466 A N 1.767 124.533 122.820 -0.090 0.000 1.978 466 A HA -0.022 4.299 4.320 0.001 0.000 0.220 466 A C 2.232 179.562 177.584 -0.423 0.000 1.170 466 A CA 1.890 53.831 52.037 -0.161 0.000 0.636 466 A CB -1.001 17.950 19.000 -0.082 0.000 0.810 466 A HN 0.588 nan 8.150 nan 0.000 0.448 467 G N -1.691 106.914 108.800 -0.326 0.000 2.744 467 G HA2 0.120 4.080 3.960 0.001 0.000 0.211 467 G HA3 0.120 4.080 3.960 0.001 0.000 0.211 467 G C 1.366 176.037 174.900 -0.382 0.000 1.146 467 G CA 1.413 46.283 45.100 -0.384 0.000 0.787 467 G HN 0.666 nan 8.290 nan 0.000 0.534 468 T N -2.849 111.541 114.554 -0.274 0.000 3.023 468 T HA 0.485 4.836 4.350 0.001 0.000 0.253 468 T C 2.194 176.811 174.700 -0.138 0.000 1.038 468 T CA 0.951 62.934 62.100 -0.195 0.000 0.962 468 T CB 0.686 69.483 68.868 -0.119 0.000 1.018 468 T HN 0.152 nan 8.240 nan 0.000 0.521 469 A N 0.935 123.687 122.820 -0.113 0.000 2.067 469 A HA 0.497 4.818 4.320 0.001 0.000 0.217 469 A C 0.586 178.309 177.584 0.232 0.000 1.156 469 A CA 0.053 52.142 52.037 0.087 0.000 0.683 469 A CB -0.548 18.596 19.000 0.239 0.000 0.808 469 A HN 0.879 nan 8.150 nan 0.000 0.455 470 W N -2.744 118.509 121.300 -0.078 0.000 3.074 470 W HA 0.700 5.361 4.660 0.001 0.000 0.332 470 W C -1.623 174.848 176.519 -0.080 0.000 1.253 470 W CA -1.204 56.091 57.345 -0.084 0.000 1.180 470 W CB 0.383 29.794 29.460 -0.082 0.000 1.445 470 W HN -0.138 nan 8.180 nan 0.000 0.573 471 I N 2.800 123.465 120.570 0.158 0.000 2.354 471 I HA 0.191 4.362 4.170 0.001 0.000 0.292 471 I C 0.810 177.045 176.117 0.196 0.000 0.989 471 I CA -0.518 60.806 61.300 0.038 0.000 1.188 471 I CB 1.979 39.992 38.000 0.022 0.000 1.342 471 I HN 0.694 nan 8.210 nan 0.000 0.457 472 S N 3.344 119.103 115.700 0.099 0.000 2.406 472 S HA 0.100 4.571 4.470 0.001 0.000 0.228 472 S C 0.683 175.363 174.600 0.134 0.000 1.020 472 S CA 0.922 59.247 58.200 0.208 0.000 0.965 472 S CB 0.142 63.409 63.200 0.112 0.000 0.798 472 S HN 0.894 nan 8.310 nan 0.000 0.488 473 G N -1.568 107.275 108.800 0.072 0.000 2.721 473 G HA2 0.573 4.534 3.960 0.001 0.000 0.296 473 G HA3 0.573 4.534 3.960 0.001 0.000 0.296 473 G C -0.332 174.588 174.900 0.034 0.000 1.383 473 G CA -0.098 45.030 45.100 0.047 0.000 0.788 473 G HN 0.750 nan 8.290 nan 0.000 0.500 474 G N -0.894 107.922 108.800 0.027 0.000 2.757 474 G HA2 -0.094 3.867 3.960 0.001 0.000 0.638 474 G HA3 -0.094 3.867 3.960 0.001 0.000 0.638 474 G C -0.244 174.673 174.900 0.029 0.000 1.344 474 G CA -0.185 44.929 45.100 0.022 0.000 0.855 474 G HN 0.752 nan 8.290 nan 0.000 0.537 475 K N 0.732 121.148 120.400 0.027 0.000 2.278 475 K HA 0.320 4.641 4.320 0.001 0.000 0.237 475 K C -0.378 176.242 176.600 0.033 0.000 1.229 475 K CA 0.084 56.392 56.287 0.034 0.000 1.155 475 K CB 0.227 32.746 32.500 0.032 0.000 1.590 475 K HN 0.389 nan 8.250 nan 0.000 0.290 476 D N 0.740 121.160 120.400 0.034 0.000 2.582 476 D HA -0.004 4.637 4.640 0.001 0.000 0.246 476 D C -0.315 176.015 176.300 0.050 0.000 1.334 476 D CA -0.174 53.850 54.000 0.040 0.000 0.805 476 D CB 0.454 41.271 40.800 0.028 0.000 1.087 476 D HN 0.171 nan 8.370 nan 0.000 0.499 477 K N 0.949 121.382 120.400 0.056 0.000 2.530 477 K HA 0.307 4.627 4.320 0.001 0.000 0.280 477 K C 0.392 177.031 176.600 0.066 0.000 1.004 477 K CA 0.741 57.071 56.287 0.073 0.000 1.071 477 K CB 0.134 32.672 32.500 0.062 0.000 0.876 477 K HN 0.192 nan 8.250 nan 0.000 0.487 478 G N 1.574 110.425 108.800 0.086 0.000 2.369 478 G HA2 0.295 4.256 3.960 0.001 0.000 0.307 478 G HA3 0.295 4.256 3.960 0.001 0.000 0.307 478 G C -1.291 173.639 174.900 0.050 0.000 1.327 478 G CA -0.554 44.558 45.100 0.020 0.000 0.963 478 G HN 0.783 nan 8.290 nan 0.000 0.590 479 A N -0.713 122.080 122.820 -0.044 0.000 2.425 479 A HA 0.623 4.944 4.320 0.001 0.000 0.242 479 A C 1.672 179.218 177.584 -0.064 0.000 1.077 479 A CA 1.369 53.397 52.037 -0.015 0.000 0.781 479 A CB 0.235 19.160 19.000 -0.125 0.000 1.020 479 A HN 2.194 nan 8.150 nan 0.000 0.494 480 T N -1.652 112.890 114.554 -0.020 0.000 3.037 480 T HA 0.407 4.758 4.350 0.001 0.000 0.252 480 T C 1.441 176.090 174.700 -0.085 0.000 1.073 480 T CA 1.096 63.161 62.100 -0.058 0.000 1.091 480 T CB 0.040 68.888 68.868 -0.033 0.000 0.935 480 T HN 2.405 nan 8.240 nan 0.000 0.488 481 G N 1.975 110.734 108.800 -0.069 0.000 2.176 481 G HA2 -0.267 3.694 3.960 0.001 0.000 0.253 481 G HA3 -0.267 3.694 3.960 0.001 0.000 0.253 481 G C 0.216 175.109 174.900 -0.012 0.000 0.979 481 G CA -0.059 45.012 45.100 -0.049 0.000 0.641 481 G HN 0.688 nan 8.290 nan 0.000 0.530 482 R N 0.942 121.435 120.500 -0.011 0.000 2.490 482 R HA 0.417 4.758 4.340 0.001 0.000 0.280 482 R C -2.009 174.295 176.300 0.007 0.000 1.077 482 R CA -0.851 55.246 56.100 -0.005 0.000 1.065 482 R CB 0.992 31.281 30.300 -0.018 0.000 1.003 482 R HN 0.141 nan 8.270 nan 0.000 0.470 483 P HA 0.101 nan 4.420 nan 0.000 0.253 483 P C 0.496 177.801 177.300 0.007 0.000 1.863 483 P CA -0.093 63.005 63.100 -0.003 0.000 1.145 483 P CB 0.490 32.178 31.700 -0.020 0.000 1.666 484 V N 1.498 121.423 119.914 0.018 0.000 2.392 484 V HA -0.139 3.981 4.120 0.001 0.000 0.249 484 V C -0.348 175.756 176.094 0.017 0.000 1.059 484 V CA 2.286 64.601 62.300 0.025 0.000 1.051 484 V CB -1.904 29.942 31.823 0.038 0.000 0.658 484 V HN 0.241 nan 8.190 nan 0.000 0.455 485 P HA -0.110 nan 4.420 nan 0.000 0.216 485 P C 2.046 179.358 177.300 0.021 0.000 1.153 485 P CA 1.343 64.453 63.100 0.017 0.000 0.844 485 P CB 0.004 31.714 31.700 0.017 0.000 0.787 486 L N -1.044 120.190 121.223 0.017 0.000 2.027 486 L HA -0.126 4.214 4.340 0.001 0.000 0.206 486 L C 2.304 179.196 176.870 0.037 0.000 1.074 486 L CA 1.509 56.362 54.840 0.022 0.000 0.745 486 L CB -0.725 41.334 42.059 -0.000 0.000 0.898 486 L HN -0.141 nan 8.230 nan 0.000 0.433 487 L N -0.738 120.498 121.223 0.022 0.000 2.056 487 L HA -0.189 4.151 4.340 0.001 0.000 0.207 487 L C 2.482 179.390 176.870 0.063 0.000 1.078 487 L CA 1.675 56.542 54.840 0.044 0.000 0.749 487 L CB -0.882 41.186 42.059 0.015 0.000 0.901 487 L HN 0.273 nan 8.230 nan 0.000 0.433 488 T N -1.383 113.180 114.554 0.016 0.000 2.777 488 T HA -0.233 4.118 4.350 0.001 0.000 0.266 488 T C 1.806 176.480 174.700 -0.043 0.000 1.040 488 T CA 1.286 63.369 62.100 -0.028 0.000 1.141 488 T CB -0.110 68.738 68.868 -0.033 0.000 0.868 488 T HN 0.188 nan 8.240 nan 0.000 0.444 489 Q N 0.472 120.271 119.800 -0.003 0.000 2.061 489 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 489 Q C 1.944 177.936 176.000 -0.014 0.000 0.984 489 Q CA 1.683 57.485 55.803 -0.002 0.000 0.846 489 Q CB -0.722 28.042 28.738 0.042 0.000 0.902 489 Q HN 0.699 nan 8.270 nan 0.000 0.421 490 Y N 0.017 120.263 120.300 -0.091 0.000 2.165 490 Y HA -0.192 4.359 4.550 0.002 0.000 0.286 490 Y C 1.562 177.342 175.900 -0.200 0.000 1.155 490 Y CA 1.848 59.877 58.100 -0.119 0.000 1.164 490 Y CB -0.178 38.219 38.460 -0.105 0.000 0.978 490 Y HN 0.179 nan 8.280 nan 0.000 0.513 491 L N -0.678 120.351 121.223 -0.324 0.000 2.156 491 L HA -0.166 4.175 4.340 0.001 0.000 0.208 491 L C 2.437 179.077 176.870 -0.383 0.000 1.095 491 L CA 0.708 55.243 54.840 -0.507 0.000 0.770 491 L CB -0.514 41.369 42.059 -0.294 0.000 0.914 491 L HN 0.287 nan 8.230 nan 0.000 0.439 492 L N -0.259 120.805 121.223 -0.265 0.000 2.012 492 L HA -0.261 4.079 4.340 0.001 0.000 0.210 492 L C 2.271 179.012 176.870 -0.215 0.000 1.073 492 L CA 1.271 55.972 54.840 -0.232 0.000 0.748 492 L CB -0.600 41.320 42.059 -0.231 0.000 0.891 492 L HN 0.294 nan 8.230 nan 0.000 0.431 493 D N -0.369 119.895 120.400 -0.227 0.000 2.117 493 D HA -0.147 4.494 4.640 0.001 0.000 0.197 493 D C 2.359 178.510 176.300 -0.248 0.000 0.987 493 D CA 0.982 54.864 54.000 -0.195 0.000 0.829 493 D CB -0.174 40.523 40.800 -0.170 0.000 0.961 493 D HN 0.170 nan 8.370 nan 0.000 0.460 494 R N 0.610 120.854 120.500 -0.427 0.000 2.148 494 R HA 0.099 4.440 4.340 0.001 0.000 0.223 494 R C 2.007 178.180 176.300 -0.211 0.000 1.088 494 R CA 0.746 56.620 56.100 -0.375 0.000 0.985 494 R CB -0.575 29.241 30.300 -0.807 0.000 0.880 494 R HN 0.126 nan 8.270 nan 0.000 0.451 495 A N 0.290 122.981 122.820 -0.216 0.000 2.119 495 A HA 0.171 4.492 4.320 0.001 0.000 0.216 495 A C 1.262 178.804 177.584 -0.069 0.000 1.152 495 A CA 0.941 52.915 52.037 -0.105 0.000 0.708 495 A CB -0.251 18.687 19.000 -0.103 0.000 0.805 495 A HN 0.394 nan 8.150 nan 0.000 0.460 496 G N -1.366 107.383 108.800 -0.086 0.000 2.298 496 G HA2 0.154 4.115 3.960 0.001 0.000 0.287 496 G HA3 0.154 4.115 3.960 0.001 0.000 0.287 496 G C 0.258 175.131 174.900 -0.044 0.000 1.075 496 G CA 0.545 45.610 45.100 -0.058 0.000 0.960 496 G HN 1.453 nan 8.290 nan 0.000 0.502 497 A N 0.000 122.787 122.820 -0.054 0.000 2.254 497 A HA 0.000 4.321 4.320 0.001 0.000 0.244 497 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 497 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486