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 3h8f_1_F DATA FIRST_RESID 1 DATA SEQUENCE MELVVKSVAA ASVKTATLVI PVGENRKLGA VAKAVDLASE GAISAVLKRG DATA SEQUENCE DLAGKPGQTL LLQNLQGLKA ERVLLVGSGK DEALGDRTWR KLVASVAGVL DATA SEQUENCE KGLNGADAVL ALDDVAVNNR DAHYGKYRLL AETLLDGEYV FDRFKSQKVE DATA SEQUENCE PRALKKVTLL ADKAGQAEVE RAVKHASAIA TGMAFTRDLG NLPPNLCHPS DATA SEQUENCE FLAEQAKELG KAHKALKVEV LDEKKIKDLG MGAFYAVGQG SDQPPRLIVL DATA SEQUENCE NYQGGKKADK PFVLVGKGIT FDTGGISLKP GAGMDEMKYD MCGAASVFGT DATA SEQUENCE LRAVLELQLP VNLVCLLACA ENMPSGGATR PGDIVTTMSG QTVEILNTDA DATA SEQUENCE EGRLVLCDTL TYAERFKPQA VIDIATLTGA CIVALGSHTT GLMGNNDDLV DATA SEQUENCE GQLLDAGKRA DDRAWQLPLF DEYQEQLDSP FADMGNIGGP KAGTITAGCF DATA SEQUENCE LSRFAKAYNW AHMDIAGTAW ISGGKDKGAT GRPVPLLTQY LLDRAGA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.310 176.300 0.017 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.610 32.600 0.016 0.000 1.302 2 E N 3.181 123.388 120.200 0.012 0.000 2.191 2 E HA 0.606 4.956 4.350 0.000 0.000 0.263 2 E C -1.895 174.712 176.600 0.011 0.000 0.881 2 E CA -0.680 55.727 56.400 0.012 0.000 0.757 2 E CB 1.754 31.459 29.700 0.007 0.000 1.147 2 E HN 0.583 nan 8.360 nan 0.000 0.414 3 L N 4.435 125.666 121.223 0.012 0.000 2.325 3 L HA 0.521 4.861 4.340 0.000 0.000 0.279 3 L C -0.590 176.281 176.870 0.001 0.000 1.054 3 L CA -0.553 54.293 54.840 0.010 0.000 0.804 3 L CB 1.626 43.695 42.059 0.016 0.000 1.200 3 L HN 0.428 nan 8.230 nan 0.000 0.436 4 V N 1.039 120.950 119.914 -0.005 0.000 3.078 4 V HA 0.825 4.946 4.120 0.000 0.000 0.311 4 V C -0.874 175.203 176.094 -0.029 0.000 1.138 4 V CA -0.824 61.466 62.300 -0.016 0.000 1.007 4 V CB 2.138 33.954 31.823 -0.013 0.000 1.045 4 V HN 0.323 nan 8.190 nan 0.000 0.432 5 V N 2.165 122.052 119.914 -0.045 0.000 2.555 5 V HA 0.682 4.802 4.120 0.000 0.000 0.302 5 V C -0.013 176.047 176.094 -0.056 0.000 1.038 5 V CA -0.539 61.719 62.300 -0.070 0.000 0.887 5 V CB 1.492 33.253 31.823 -0.105 0.000 0.991 5 V HN 1.060 nan 8.190 nan 0.000 0.434 6 K N 1.436 121.802 120.400 -0.055 0.000 2.409 6 K HA 0.662 4.982 4.320 0.000 0.000 0.252 6 K C -0.151 176.420 176.600 -0.048 0.000 1.036 6 K CA -0.491 55.770 56.287 -0.043 0.000 0.871 6 K CB 2.252 34.736 32.500 -0.026 0.000 1.374 6 K HN 0.696 nan 8.250 nan 0.000 0.459 7 S N -1.019 114.658 115.700 -0.038 0.000 2.941 7 S HA 0.160 4.630 4.470 0.000 0.000 0.251 7 S C 0.154 174.743 174.600 -0.018 0.000 1.029 7 S CA -0.708 57.472 58.200 -0.035 0.000 1.062 7 S CB -0.516 62.656 63.200 -0.047 0.000 0.977 7 S HN 0.332 nan 8.310 nan 0.000 0.552 8 V N -0.645 119.262 119.914 -0.012 0.000 3.214 8 V HA 0.900 5.020 4.120 0.000 0.000 0.306 8 V C 0.757 176.852 176.094 0.002 0.000 1.078 8 V CA -0.775 61.522 62.300 -0.005 0.000 1.077 8 V CB 0.194 32.014 31.823 -0.004 0.000 1.121 8 V HN 0.514 nan 8.190 nan 0.000 0.468 9 A N 1.460 124.282 122.820 0.005 0.000 2.477 9 A HA 0.627 4.947 4.320 0.000 0.000 0.246 9 A C 1.569 179.160 177.584 0.012 0.000 1.078 9 A CA 0.206 52.249 52.037 0.010 0.000 0.770 9 A CB 0.201 19.206 19.000 0.009 0.000 1.011 9 A HN 1.867 nan 8.150 nan 0.000 0.494 10 A N 2.692 125.523 122.820 0.018 0.000 1.917 10 A HA 0.039 4.359 4.320 0.000 0.000 0.219 10 A C 2.238 179.832 177.584 0.017 0.000 1.182 10 A CA 2.367 54.417 52.037 0.021 0.000 0.633 10 A CB -0.928 18.089 19.000 0.029 0.000 0.819 10 A HN 1.817 nan 8.150 nan 0.000 0.448 11 A N -0.073 122.756 122.820 0.015 0.000 2.216 11 A HA 0.077 4.397 4.320 0.000 0.000 0.214 11 A C 2.254 179.844 177.584 0.009 0.000 1.160 11 A CA 1.788 53.833 52.037 0.012 0.000 0.725 11 A CB -0.687 18.320 19.000 0.011 0.000 0.784 11 A HN 0.984 nan 8.150 nan 0.000 0.472 12 S N -1.028 114.677 115.700 0.008 0.000 2.478 12 S HA 0.140 4.611 4.470 0.000 0.000 0.222 12 S C 0.501 175.104 174.600 0.005 0.000 1.008 12 S CA 0.361 58.565 58.200 0.006 0.000 0.928 12 S CB -0.498 62.705 63.200 0.004 0.000 0.781 12 S HN 0.137 nan 8.310 nan 0.000 0.518 13 V N 2.625 122.543 119.914 0.006 0.000 2.546 13 V HA 0.365 4.485 4.120 0.000 0.000 0.284 13 V C 0.157 176.254 176.094 0.006 0.000 1.050 13 V CA -0.828 61.476 62.300 0.005 0.000 0.981 13 V CB 1.056 32.883 31.823 0.006 0.000 0.990 13 V HN 0.362 nan 8.190 nan 0.000 0.474 14 K N 2.705 123.108 120.400 0.004 0.000 2.297 14 K HA 0.528 4.849 4.320 0.000 0.000 0.286 14 K C -0.317 176.286 176.600 0.004 0.000 1.053 14 K CA 0.034 56.323 56.287 0.004 0.000 0.940 14 K CB 0.860 33.362 32.500 0.002 0.000 1.019 14 K HN 0.899 nan 8.250 nan 0.000 0.475 15 T N 1.819 116.376 114.554 0.005 0.000 2.840 15 T HA 0.429 4.779 4.350 0.000 0.000 0.317 15 T C 0.260 174.963 174.700 0.006 0.000 1.401 15 T CA -0.023 62.081 62.100 0.006 0.000 1.028 15 T CB 1.355 70.228 68.868 0.008 0.000 1.317 15 T HN 0.557 nan 8.240 nan 0.000 0.495 16 A N 1.595 124.418 122.820 0.005 0.000 1.929 16 A HA 0.344 4.664 4.320 0.000 0.000 0.216 16 A C 0.816 178.404 177.584 0.006 0.000 1.176 16 A CA 1.228 53.268 52.037 0.004 0.000 0.628 16 A CB -0.217 18.785 19.000 0.003 0.000 0.816 16 A HN 0.795 nan 8.150 nan 0.000 0.444 17 T N -0.494 114.065 114.554 0.008 0.000 3.071 17 T HA 0.476 4.826 4.350 0.000 0.000 0.311 17 T C -1.369 173.339 174.700 0.014 0.000 1.042 17 T CA -0.426 61.679 62.100 0.010 0.000 1.028 17 T CB 1.609 70.482 68.868 0.008 0.000 1.068 17 T HN 0.251 nan 8.240 nan 0.000 0.451 18 L N 4.081 125.313 121.223 0.016 0.000 2.307 18 L HA 0.794 5.134 4.340 0.000 0.000 0.284 18 L C -1.058 175.827 176.870 0.025 0.000 1.023 18 L CA -0.549 54.303 54.840 0.021 0.000 0.810 18 L CB 1.311 43.383 42.059 0.020 0.000 1.231 18 L HN 0.505 nan 8.230 nan 0.000 0.423 19 V N 6.935 126.868 119.914 0.033 0.000 2.347 19 V HA 0.498 4.618 4.120 0.000 0.000 0.280 19 V C 0.095 176.219 176.094 0.051 0.000 1.021 19 V CA -0.397 61.925 62.300 0.037 0.000 0.847 19 V CB 0.983 32.827 31.823 0.036 0.000 0.990 19 V HN 0.753 nan 8.190 nan 0.000 0.444 20 I N 3.689 124.287 120.570 0.046 0.000 2.689 20 I HA 0.818 4.988 4.170 0.000 0.000 0.299 20 I C -2.821 173.328 176.117 0.054 0.000 1.059 20 I CA -2.661 58.671 61.300 0.053 0.000 1.055 20 I CB 2.900 40.926 38.000 0.042 0.000 1.243 20 I HN 0.333 nan 8.210 nan 0.000 0.425 21 P HA 0.399 nan 4.420 nan 0.000 0.286 21 P C -1.022 176.304 177.300 0.043 0.000 1.261 21 P CA -0.523 62.614 63.100 0.061 0.000 0.821 21 P CB 2.206 33.953 31.700 0.078 0.000 1.013 22 V N 2.048 121.984 119.914 0.037 0.000 2.577 22 V HA 0.556 4.676 4.120 0.000 0.000 0.303 22 V C 0.867 176.975 176.094 0.024 0.000 1.042 22 V CA -0.503 61.813 62.300 0.027 0.000 0.872 22 V CB 1.779 33.615 31.823 0.022 0.000 0.998 22 V HN 0.805 nan 8.190 nan 0.000 0.423 23 G N 2.780 111.591 108.800 0.018 0.000 2.621 23 G HA2 0.427 4.387 3.960 0.000 0.000 0.271 23 G HA3 0.427 4.387 3.960 0.000 0.000 0.271 23 G C -0.191 174.716 174.900 0.011 0.000 1.236 23 G CA -0.456 44.653 45.100 0.014 0.000 0.958 23 G HN 0.717 nan 8.290 nan 0.000 0.512 24 E N 0.448 120.653 120.200 0.009 0.000 2.398 24 E HA 0.019 4.369 4.350 0.000 0.000 0.263 24 E C -0.103 176.500 176.600 0.005 0.000 1.046 24 E CA -0.108 56.296 56.400 0.007 0.000 0.908 24 E CB 0.324 30.027 29.700 0.005 0.000 0.963 24 E HN 0.459 nan 8.360 nan 0.000 0.431 25 N N 2.620 121.323 118.700 0.005 0.000 2.738 25 N HA -0.248 4.492 4.740 0.000 0.000 0.249 25 N C -0.819 174.694 175.510 0.005 0.000 1.047 25 N CA 1.180 54.232 53.050 0.004 0.000 0.707 25 N CB -0.949 37.540 38.487 0.003 0.000 0.937 25 N HN 0.645 nan 8.380 nan 0.000 0.545 26 R N -2.189 118.315 120.500 0.007 0.000 3.741 26 R HA -0.246 4.094 4.340 0.000 0.000 0.292 26 R C 0.194 176.499 176.300 0.008 0.000 1.176 26 R CA 1.322 57.427 56.100 0.008 0.000 0.794 26 R CB -1.515 28.789 30.300 0.007 0.000 1.213 26 R HN 0.479 nan 8.270 nan 0.000 0.494 27 K N 2.006 122.411 120.400 0.008 0.000 2.307 27 K HA 0.087 4.407 4.320 0.000 0.000 0.285 27 K C -0.247 176.359 176.600 0.010 0.000 1.073 27 K CA 0.099 56.391 56.287 0.007 0.000 0.996 27 K CB 0.302 32.806 32.500 0.005 0.000 0.994 27 K HN 0.189 nan 8.250 nan 0.000 0.452 28 L N 4.625 125.854 121.223 0.010 0.000 2.260 28 L HA 0.247 4.587 4.340 0.000 0.000 0.289 28 L C 1.116 177.993 176.870 0.012 0.000 1.057 28 L CA -0.684 54.164 54.840 0.013 0.000 0.811 28 L CB 1.157 43.224 42.059 0.013 0.000 1.184 28 L HN 0.750 nan 8.230 nan 0.000 0.429 29 G N 1.720 110.529 108.800 0.014 0.000 2.684 29 G HA2 0.261 4.221 3.960 0.000 0.000 0.255 29 G HA3 0.261 4.221 3.960 0.000 0.000 0.255 29 G C 1.036 175.946 174.900 0.016 0.000 1.219 29 G CA 0.209 45.316 45.100 0.013 0.000 0.901 29 G HN 0.814 nan 8.290 nan 0.000 0.548 30 A N -0.430 122.400 122.820 0.016 0.000 1.917 30 A HA -0.076 4.244 4.320 0.000 0.000 0.219 30 A C 2.575 180.172 177.584 0.022 0.000 1.182 30 A CA 2.206 54.253 52.037 0.017 0.000 0.633 30 A CB -0.706 18.304 19.000 0.017 0.000 0.819 30 A HN 0.570 nan 8.150 nan 0.000 0.448 31 V N -0.340 119.591 119.914 0.028 0.000 2.307 31 V HA -0.226 3.894 4.120 0.000 0.000 0.245 31 V C 3.069 179.181 176.094 0.030 0.000 1.045 31 V CA 1.969 64.289 62.300 0.033 0.000 1.024 31 V CB -1.286 30.565 31.823 0.046 0.000 0.651 31 V HN 0.637 nan 8.190 nan 0.000 0.449 32 A N -0.121 122.717 122.820 0.030 0.000 1.877 32 A HA -0.252 4.068 4.320 0.000 0.000 0.216 32 A C 2.272 179.869 177.584 0.021 0.000 1.186 32 A CA 2.068 54.121 52.037 0.027 0.000 0.620 32 A CB -0.476 18.540 19.000 0.027 0.000 0.822 32 A HN 0.557 nan 8.150 nan 0.000 0.443 33 K N -0.249 120.162 120.400 0.018 0.000 2.044 33 K HA -0.145 4.175 4.320 0.000 0.000 0.210 33 K C 2.311 178.919 176.600 0.014 0.000 1.049 33 K CA 1.289 57.585 56.287 0.015 0.000 0.927 33 K CB -0.427 32.081 32.500 0.013 0.000 0.713 33 K HN 0.446 nan 8.250 nan 0.000 0.443 34 A N 1.133 123.962 122.820 0.016 0.000 1.940 34 A HA -0.152 4.168 4.320 0.000 0.000 0.219 34 A C 2.410 180.003 177.584 0.014 0.000 1.176 34 A CA 1.693 53.739 52.037 0.014 0.000 0.631 34 A CB -0.689 18.320 19.000 0.016 0.000 0.814 34 A HN 0.099 nan 8.150 nan 0.000 0.446 35 V N 0.348 120.272 119.914 0.017 0.000 2.379 35 V HA -0.208 3.912 4.120 0.000 0.000 0.245 35 V C 2.361 178.463 176.094 0.014 0.000 1.044 35 V CA 2.238 64.547 62.300 0.016 0.000 1.036 35 V CB -0.795 31.040 31.823 0.020 0.000 0.664 35 V HN 0.692 nan 8.190 nan 0.000 0.453 36 D N 0.296 120.704 120.400 0.014 0.000 2.123 36 D HA -0.181 4.459 4.640 0.000 0.000 0.196 36 D C 2.017 178.323 176.300 0.010 0.000 0.992 36 D CA 1.553 55.560 54.000 0.012 0.000 0.833 36 D CB -0.172 40.635 40.800 0.012 0.000 0.954 36 D HN 0.387 nan 8.370 nan 0.000 0.455 37 L N -0.041 121.187 121.223 0.010 0.000 2.027 37 L HA -0.081 4.259 4.340 0.000 0.000 0.206 37 L C 2.654 179.529 176.870 0.008 0.000 1.074 37 L CA 1.143 55.989 54.840 0.008 0.000 0.745 37 L CB -0.629 41.435 42.059 0.008 0.000 0.898 37 L HN 0.058 nan 8.230 nan 0.000 0.433 38 A N 0.039 122.864 122.820 0.009 0.000 2.024 38 A HA -0.195 4.125 4.320 0.000 0.000 0.220 38 A C 2.328 179.916 177.584 0.007 0.000 1.164 38 A CA 1.844 53.886 52.037 0.008 0.000 0.643 38 A CB -0.588 18.417 19.000 0.009 0.000 0.806 38 A HN 0.529 nan 8.150 nan 0.000 0.451 39 S N -0.881 114.824 115.700 0.008 0.000 2.631 39 S HA 0.150 4.620 4.470 0.000 0.000 0.217 39 S C 0.253 174.857 174.600 0.006 0.000 0.958 39 S CA 0.597 58.801 58.200 0.007 0.000 0.920 39 S CB -0.553 62.652 63.200 0.008 0.000 0.776 39 S HN 0.576 nan 8.310 nan 0.000 0.517 40 E N 0.098 120.302 120.200 0.006 0.000 2.389 40 E HA -0.195 4.155 4.350 0.000 0.000 0.243 40 E C 0.791 177.394 176.600 0.006 0.000 1.154 40 E CA 0.268 56.672 56.400 0.005 0.000 0.723 40 E CB -2.017 27.685 29.700 0.005 0.000 1.261 40 E HN 1.006 nan 8.360 nan 0.000 0.390 41 G N -1.269 107.535 108.800 0.006 0.000 2.168 41 G HA2 -0.390 3.570 3.960 0.000 0.000 0.263 41 G HA3 -0.390 3.570 3.960 0.000 0.000 0.263 41 G C 1.051 175.954 174.900 0.006 0.000 0.977 41 G CA 0.841 45.945 45.100 0.006 0.000 0.659 41 G HN 0.875 nan 8.290 nan 0.000 0.533 42 A N -0.153 122.671 122.820 0.006 0.000 1.940 42 A HA 0.159 4.479 4.320 0.000 0.000 0.219 42 A C 2.359 179.947 177.584 0.007 0.000 1.176 42 A CA 1.891 53.932 52.037 0.006 0.000 0.631 42 A CB -0.286 18.717 19.000 0.006 0.000 0.814 42 A HN 0.783 nan 8.150 nan 0.000 0.446 43 I N 0.402 120.977 120.570 0.008 0.000 2.233 43 I HA -0.215 3.955 4.170 0.000 0.000 0.243 43 I C 2.816 178.939 176.117 0.009 0.000 1.093 43 I CA 1.557 62.863 61.300 0.009 0.000 1.380 43 I CB -0.203 37.803 38.000 0.011 0.000 1.067 43 I HN 0.475 nan 8.210 nan 0.000 0.413 44 S N 1.119 116.824 115.700 0.008 0.000 2.428 44 S HA -0.006 4.464 4.470 0.000 0.000 0.230 44 S C 2.214 176.818 174.600 0.006 0.000 1.014 44 S CA 0.587 58.792 58.200 0.008 0.000 0.957 44 S CB -0.473 62.731 63.200 0.008 0.000 0.784 44 S HN 0.376 nan 8.310 nan 0.000 0.499 45 A N 1.907 124.731 122.820 0.006 0.000 1.883 45 A HA -0.013 4.307 4.320 0.000 0.000 0.217 45 A C 2.417 180.004 177.584 0.005 0.000 1.186 45 A CA 1.867 53.907 52.037 0.005 0.000 0.624 45 A CB -1.278 17.725 19.000 0.005 0.000 0.822 45 A HN 0.416 nan 8.150 nan 0.000 0.444 46 V N 0.022 119.939 119.914 0.006 0.000 2.261 46 V HA -0.253 3.868 4.120 0.000 0.000 0.246 46 V C 2.541 178.638 176.094 0.006 0.000 1.047 46 V CA 1.993 64.297 62.300 0.006 0.000 1.015 46 V CB -0.665 31.162 31.823 0.006 0.000 0.642 46 V HN 0.592 nan 8.190 nan 0.000 0.446 47 L N -0.124 121.103 121.223 0.007 0.000 2.261 47 L HA -0.242 4.098 4.340 0.000 0.000 0.216 47 L C 2.512 179.385 176.870 0.006 0.000 1.114 47 L CA 1.677 56.521 54.840 0.007 0.000 0.777 47 L CB -0.546 41.518 42.059 0.008 0.000 0.910 47 L HN 0.363 nan 8.230 nan 0.000 0.440 48 K N 0.287 120.690 120.400 0.005 0.000 2.211 48 K HA -0.136 4.185 4.320 0.000 0.000 0.203 48 K C 2.145 178.747 176.600 0.004 0.000 1.050 48 K CA 0.868 57.157 56.287 0.004 0.000 0.945 48 K CB 0.099 32.602 32.500 0.004 0.000 0.732 48 K HN 0.234 nan 8.250 nan 0.000 0.451 49 R N -0.879 119.624 120.500 0.004 0.000 2.189 49 R HA -0.036 4.304 4.340 0.000 0.000 0.218 49 R C 0.921 177.223 176.300 0.003 0.000 1.074 49 R CA 0.936 57.038 56.100 0.003 0.000 0.991 49 R CB 0.128 30.430 30.300 0.003 0.000 0.883 49 R HN 0.514 nan 8.270 nan 0.000 0.457 50 G N 0.862 109.664 108.800 0.004 0.000 2.134 50 G HA2 -0.185 3.775 3.960 0.000 0.000 0.209 50 G HA3 -0.185 3.775 3.960 0.000 0.000 0.209 50 G C 0.154 175.057 174.900 0.004 0.000 0.993 50 G CA 0.207 45.309 45.100 0.004 0.000 0.669 50 G HN 0.245 nan 8.290 nan 0.000 0.519 51 D N -0.646 119.756 120.400 0.004 0.000 2.269 51 D HA 0.075 4.715 4.640 0.000 0.000 0.208 51 D C 1.153 177.456 176.300 0.005 0.000 0.963 51 D CA 0.757 54.760 54.000 0.004 0.000 0.864 51 D CB 0.264 41.066 40.800 0.004 0.000 0.936 51 D HN 0.485 nan 8.370 nan 0.000 0.505 52 L N 0.122 121.349 121.223 0.006 0.000 2.324 52 L HA 0.501 4.841 4.340 0.000 0.000 0.274 52 L C 0.811 177.685 176.870 0.007 0.000 1.012 52 L CA -0.534 54.311 54.840 0.007 0.000 0.859 52 L CB 1.176 43.240 42.059 0.009 0.000 1.224 52 L HN -0.162 nan 8.230 nan 0.000 0.429 53 A N 3.508 126.332 122.820 0.007 0.000 2.066 53 A HA 0.383 4.703 4.320 0.000 0.000 0.218 53 A C 1.634 179.223 177.584 0.008 0.000 1.157 53 A CA 0.954 52.994 52.037 0.006 0.000 0.670 53 A CB -0.590 18.413 19.000 0.005 0.000 0.804 53 A HN 1.634 nan 8.150 nan 0.000 0.453 54 G N -1.268 107.538 108.800 0.010 0.000 2.179 54 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 54 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 54 G C 0.207 175.116 174.900 0.015 0.000 0.990 54 G CA 0.195 45.303 45.100 0.014 0.000 0.646 54 G HN 0.523 nan 8.290 nan 0.000 0.517 55 K N 1.179 121.587 120.400 0.012 0.000 2.414 55 K HA 0.280 4.600 4.320 0.000 0.000 0.272 55 K C -2.334 174.277 176.600 0.019 0.000 0.993 55 K CA -1.184 55.111 56.287 0.013 0.000 0.964 55 K CB 0.398 32.903 32.500 0.008 0.000 0.925 55 K HN 0.042 nan 8.250 nan 0.000 0.487 56 P HA -0.105 nan 4.420 nan 0.000 0.260 56 P C 0.563 177.877 177.300 0.023 0.000 1.185 56 P CA 1.030 64.151 63.100 0.036 0.000 0.763 56 P CB 0.326 32.051 31.700 0.041 0.000 0.776 57 G N 2.176 110.989 108.800 0.021 0.000 2.217 57 G HA2 -0.252 3.708 3.960 0.000 0.000 0.246 57 G HA3 -0.252 3.708 3.960 0.000 0.000 0.246 57 G C 0.178 175.079 174.900 0.001 0.000 0.990 57 G CA -0.395 44.706 45.100 0.003 0.000 0.627 57 G HN 0.553 nan 8.290 nan 0.000 0.522 58 Q N 1.295 121.099 119.800 0.007 0.000 2.395 58 Q HA 0.462 4.802 4.340 0.000 0.000 0.271 58 Q C 0.636 176.640 176.000 0.007 0.000 1.026 58 Q CA 1.147 56.953 55.803 0.005 0.000 0.900 58 Q CB 0.613 29.355 28.738 0.007 0.000 1.266 58 Q HN 0.629 nan 8.270 nan 0.000 0.430 59 T N -0.697 113.859 114.554 0.004 0.000 2.906 59 T HA 0.746 5.097 4.350 0.000 0.000 0.295 59 T C -0.982 173.721 174.700 0.006 0.000 1.075 59 T CA -0.970 61.133 62.100 0.005 0.000 1.005 59 T CB 1.223 70.093 68.868 0.002 0.000 1.136 59 T HN 0.502 nan 8.240 nan 0.000 0.498 60 L N 2.000 123.228 121.223 0.007 0.000 2.470 60 L HA 0.715 5.055 4.340 0.000 0.000 0.268 60 L C -1.818 175.056 176.870 0.007 0.000 0.964 60 L CA -1.160 53.684 54.840 0.007 0.000 0.839 60 L CB 1.885 43.948 42.059 0.007 0.000 1.276 60 L HN 0.804 nan 8.230 nan 0.000 0.403 61 L N 5.580 126.807 121.223 0.006 0.000 2.282 61 L HA 0.641 4.981 4.340 0.000 0.000 0.288 61 L C -1.210 175.663 176.870 0.006 0.000 1.033 61 L CA -0.013 54.831 54.840 0.006 0.000 0.807 61 L CB 1.351 43.413 42.059 0.004 0.000 1.209 61 L HN 0.545 nan 8.230 nan 0.000 0.423 62 L N 4.305 125.532 121.223 0.007 0.000 2.332 62 L HA 0.642 4.982 4.340 0.000 0.000 0.269 62 L C -0.360 176.513 176.870 0.006 0.000 1.016 62 L CA -0.768 54.075 54.840 0.006 0.000 0.809 62 L CB 1.557 43.620 42.059 0.007 0.000 1.280 62 L HN 0.585 nan 8.230 nan 0.000 0.447 63 Q N 0.259 120.062 119.800 0.005 0.000 2.397 63 Q HA 0.316 4.656 4.340 0.000 0.000 0.275 63 Q C -1.081 174.921 176.000 0.004 0.000 1.090 63 Q CA -1.186 54.620 55.803 0.004 0.000 0.809 63 Q CB 2.037 30.777 28.738 0.003 0.000 1.362 63 Q HN 0.457 nan 8.270 nan 0.000 0.431 64 N N 1.539 120.241 118.700 0.004 0.000 2.789 64 N HA -0.200 4.540 4.740 0.000 0.000 0.309 64 N C -1.667 173.846 175.510 0.004 0.000 1.174 64 N CA 0.850 53.903 53.050 0.004 0.000 0.740 64 N CB -0.247 38.242 38.487 0.003 0.000 1.019 64 N HN 0.404 nan 8.380 nan 0.000 0.571 65 L N 2.555 123.782 121.223 0.005 0.000 2.280 65 L HA 0.258 4.598 4.340 0.000 0.000 0.287 65 L C 0.870 177.743 176.870 0.005 0.000 1.023 65 L CA -0.708 54.135 54.840 0.006 0.000 0.819 65 L CB 1.235 43.298 42.059 0.007 0.000 1.212 65 L HN 0.337 nan 8.230 nan 0.000 0.420 66 Q N 2.071 121.874 119.800 0.005 0.000 2.315 66 Q HA 0.099 4.439 4.340 0.000 0.000 0.289 66 Q C 1.109 177.112 176.000 0.005 0.000 1.044 66 Q CA 1.113 56.919 55.803 0.004 0.000 0.920 66 Q CB 0.671 29.411 28.738 0.004 0.000 1.214 66 Q HN 0.986 nan 8.270 nan 0.000 0.392 67 G N 1.838 110.641 108.800 0.005 0.000 2.213 67 G HA2 -0.236 3.725 3.960 0.000 0.000 0.236 67 G HA3 -0.236 3.725 3.960 0.000 0.000 0.236 67 G C 0.008 174.911 174.900 0.006 0.000 0.991 67 G CA -0.277 44.826 45.100 0.005 0.000 0.629 67 G HN 0.446 nan 8.290 nan 0.000 0.517 68 L N -0.383 120.843 121.223 0.006 0.000 2.334 68 L HA 0.596 4.936 4.340 0.000 0.000 0.270 68 L C 1.103 177.976 176.870 0.006 0.000 1.018 68 L CA -0.901 53.944 54.840 0.007 0.000 0.811 68 L CB 1.618 43.682 42.059 0.008 0.000 1.271 68 L HN -0.012 nan 8.230 nan 0.000 0.443 69 K N 0.826 121.230 120.400 0.006 0.000 2.410 69 K HA 0.313 4.633 4.320 0.000 0.000 0.200 69 K C 0.008 176.611 176.600 0.006 0.000 1.023 69 K CA -0.146 56.144 56.287 0.005 0.000 1.149 69 K CB 0.790 33.293 32.500 0.005 0.000 0.859 69 K HN 0.603 nan 8.250 nan 0.000 0.514 70 A N 1.062 123.887 122.820 0.007 0.000 2.292 70 A HA 0.211 4.531 4.320 0.000 0.000 0.319 70 A C 0.403 177.991 177.584 0.007 0.000 1.206 70 A CA -0.575 51.467 52.037 0.008 0.000 0.835 70 A CB 0.646 19.652 19.000 0.010 0.000 1.164 70 A HN 0.229 nan 8.150 nan 0.000 0.505 71 E N 1.004 121.208 120.200 0.006 0.000 2.204 71 E HA -0.078 4.272 4.350 0.000 0.000 0.194 71 E C 0.197 176.800 176.600 0.005 0.000 0.989 71 E CA 0.911 57.314 56.400 0.005 0.000 0.824 71 E CB 0.140 29.842 29.700 0.004 0.000 0.756 71 E HN 0.632 nan 8.360 nan 0.000 0.477 72 R N -0.514 119.990 120.500 0.006 0.000 2.707 72 R HA 0.481 4.821 4.340 0.000 0.000 0.272 72 R C -1.551 174.754 176.300 0.009 0.000 1.011 72 R CA -0.648 55.456 56.100 0.007 0.000 0.893 72 R CB 2.537 32.840 30.300 0.006 0.000 1.233 72 R HN -0.194 nan 8.270 nan 0.000 0.464 73 V N 2.631 122.551 119.914 0.010 0.000 2.482 73 V HA 0.325 4.445 4.120 0.000 0.000 0.295 73 V C -1.104 174.997 176.094 0.012 0.000 1.026 73 V CA -0.781 61.526 62.300 0.013 0.000 0.856 73 V CB 1.751 33.582 31.823 0.013 0.000 1.001 73 V HN 0.482 nan 8.190 nan 0.000 0.424 74 L N 6.757 127.989 121.223 0.014 0.000 2.255 74 L HA 0.565 4.905 4.340 0.000 0.000 0.289 74 L C -0.475 176.406 176.870 0.018 0.000 1.046 74 L CA 0.177 55.025 54.840 0.013 0.000 0.816 74 L CB 0.794 42.859 42.059 0.011 0.000 1.197 74 L HN 0.540 nan 8.230 nan 0.000 0.427 75 L N 6.102 127.335 121.223 0.016 0.000 2.276 75 L HA 0.501 4.841 4.340 0.000 0.000 0.286 75 L C -0.252 176.630 176.870 0.020 0.000 1.061 75 L CA -0.580 54.272 54.840 0.020 0.000 0.807 75 L CB 1.413 43.482 42.059 0.017 0.000 1.177 75 L HN 0.416 nan 8.230 nan 0.000 0.429 76 V N 3.274 123.205 119.914 0.027 0.000 2.487 76 V HA 0.673 4.793 4.120 0.000 0.000 0.298 76 V C 0.522 176.637 176.094 0.035 0.000 1.028 76 V CA -0.322 61.994 62.300 0.027 0.000 0.860 76 V CB 1.766 33.604 31.823 0.025 0.000 0.991 76 V HN 0.806 nan 8.190 nan 0.000 0.427 77 G N 3.967 112.784 108.800 0.028 0.000 2.432 77 G HA2 0.375 4.335 3.960 0.000 0.000 0.239 77 G HA3 0.375 4.335 3.960 0.000 0.000 0.239 77 G C 0.656 175.583 174.900 0.046 0.000 1.291 77 G CA 0.340 45.459 45.100 0.031 0.000 0.863 77 G HN 1.510 nan 8.290 nan 0.000 0.560 78 S N 0.663 116.390 115.700 0.046 0.000 2.819 78 S HA 0.530 5.000 4.470 0.000 0.000 0.249 78 S C 1.117 175.738 174.600 0.036 0.000 1.030 78 S CA 0.635 58.870 58.200 0.058 0.000 1.052 78 S CB -0.135 63.102 63.200 0.062 0.000 1.017 78 S HN 2.377 nan 8.310 nan 0.000 0.576 79 G N 2.147 110.963 108.800 0.026 0.000 2.642 79 G HA2 -0.217 3.743 3.960 0.000 0.000 0.231 79 G HA3 -0.217 3.743 3.960 0.000 0.000 0.231 79 G C -0.465 174.440 174.900 0.008 0.000 1.338 79 G CA -0.316 44.794 45.100 0.016 0.000 0.883 79 G HN 0.615 nan 8.290 nan 0.000 0.570 80 K N -0.387 120.015 120.400 0.003 0.000 2.159 80 K HA 0.220 4.540 4.320 0.000 0.000 0.242 80 K C 1.298 177.894 176.600 -0.007 0.000 1.043 80 K CA 0.173 56.458 56.287 -0.002 0.000 0.856 80 K CB 0.084 32.581 32.500 -0.005 0.000 1.072 80 K HN 0.458 nan 8.250 nan 0.000 0.514 81 D N 1.266 121.660 120.400 -0.010 0.000 2.123 81 D HA -0.106 4.534 4.640 0.000 0.000 0.196 81 D C -0.183 176.102 176.300 -0.025 0.000 0.992 81 D CA 1.145 55.135 54.000 -0.016 0.000 0.833 81 D CB 0.022 40.813 40.800 -0.015 0.000 0.954 81 D HN 0.383 nan 8.370 nan 0.000 0.455 82 E N 0.265 120.451 120.200 -0.023 0.000 2.413 82 E HA 0.260 4.610 4.350 0.000 0.000 0.263 82 E C -0.082 176.495 176.600 -0.038 0.000 1.015 82 E CA -0.384 55.998 56.400 -0.029 0.000 0.916 82 E CB 0.754 30.440 29.700 -0.023 0.000 0.947 82 E HN 0.105 nan 8.360 nan 0.000 0.440 83 A N 4.004 126.792 122.820 -0.053 0.000 2.546 83 A HA 0.065 4.385 4.320 0.000 0.000 0.243 83 A C 0.251 177.796 177.584 -0.065 0.000 1.063 83 A CA -0.133 51.857 52.037 -0.080 0.000 0.757 83 A CB -0.012 18.931 19.000 -0.094 0.000 0.991 83 A HN 0.547 nan 8.150 nan 0.000 0.503 84 L N 2.124 123.303 121.223 -0.074 0.000 2.473 84 L HA 0.312 4.653 4.340 0.000 0.000 0.268 84 L C 1.337 178.193 176.870 -0.023 0.000 1.215 84 L CA 0.025 54.851 54.840 -0.023 0.000 0.823 84 L CB 0.181 42.258 42.059 0.031 0.000 1.099 84 L HN 0.835 nan 8.230 nan 0.000 0.483 85 G N -0.122 108.688 108.800 0.017 0.000 2.477 85 G HA2 0.160 4.120 3.960 0.000 0.000 0.304 85 G HA3 0.160 4.120 3.960 0.000 0.000 0.304 85 G C 0.207 175.152 174.900 0.074 0.000 1.175 85 G CA -0.395 44.718 45.100 0.022 0.000 0.907 85 G HN 0.692 nan 8.290 nan 0.000 0.509 86 D N -0.009 120.432 120.400 0.067 0.000 2.177 86 D HA -0.177 4.463 4.640 0.000 0.000 0.189 86 D C 2.408 178.772 176.300 0.108 0.000 1.002 86 D CA 1.289 55.354 54.000 0.109 0.000 0.845 86 D CB -0.035 40.804 40.800 0.064 0.000 0.960 86 D HN 0.413 nan 8.370 nan 0.000 0.447 87 R N -0.106 120.425 120.500 0.051 0.000 2.091 87 R HA -0.097 4.243 4.340 0.000 0.000 0.238 87 R C 2.294 178.615 176.300 0.036 0.000 1.136 87 R CA 1.872 57.986 56.100 0.023 0.000 0.959 87 R CB -0.702 29.593 30.300 -0.009 0.000 0.856 87 R HN 0.158 nan 8.270 nan 0.000 0.437 88 T N -0.376 114.213 114.554 0.060 0.000 2.708 88 T HA -0.193 4.157 4.350 0.000 0.000 0.266 88 T C 1.321 176.107 174.700 0.144 0.000 1.037 88 T CA 1.287 63.432 62.100 0.076 0.000 1.146 88 T CB -0.462 68.447 68.868 0.068 0.000 0.865 88 T HN 0.490 nan 8.240 nan 0.000 0.435 89 W N 2.449 123.722 121.300 -0.046 0.000 2.318 89 W HA -0.216 4.444 4.660 0.000 0.000 0.313 89 W C 2.207 178.695 176.519 -0.052 0.000 1.221 89 W CA 1.070 58.381 57.345 -0.058 0.000 1.266 89 W CB -0.133 29.282 29.460 -0.075 0.000 1.150 89 W HN 0.198 nan 8.180 nan 0.000 0.496 90 R N 0.214 120.641 120.500 -0.122 0.000 2.115 90 R HA -0.119 4.222 4.340 0.000 0.000 0.230 90 R C 2.213 178.394 176.300 -0.197 0.000 1.111 90 R CA 1.362 57.308 56.100 -0.257 0.000 0.976 90 R CB -0.422 29.807 30.300 -0.119 0.000 0.870 90 R HN 0.168 nan 8.270 nan 0.000 0.445 91 K N 0.747 121.085 120.400 -0.103 0.000 2.155 91 K HA -0.059 4.261 4.320 0.000 0.000 0.203 91 K C 2.071 178.615 176.600 -0.094 0.000 1.052 91 K CA 0.624 56.865 56.287 -0.076 0.000 0.948 91 K CB -0.033 32.447 32.500 -0.034 0.000 0.728 91 K HN 0.112 nan 8.250 nan 0.000 0.448 92 L N 0.633 121.792 121.223 -0.106 0.000 2.005 92 L HA -0.194 4.146 4.340 0.000 0.000 0.207 92 L C 2.025 178.772 176.870 -0.204 0.000 1.072 92 L CA 1.175 55.952 54.840 -0.105 0.000 0.744 92 L CB -0.186 41.858 42.059 -0.025 0.000 0.895 92 L HN -0.076 nan 8.230 nan 0.000 0.433 93 V N 0.472 120.148 119.914 -0.396 0.000 2.255 93 V HA -0.351 3.769 4.120 0.000 0.000 0.247 93 V C 2.848 178.810 176.094 -0.220 0.000 1.051 93 V CA 1.873 63.927 62.300 -0.410 0.000 1.018 93 V CB -1.267 30.176 31.823 -0.632 0.000 0.641 93 V HN 0.631 nan 8.190 nan 0.000 0.445 94 A N -0.009 122.702 122.820 -0.182 0.000 1.986 94 A HA -0.233 4.087 4.320 0.000 0.000 0.220 94 A C 2.431 179.970 177.584 -0.075 0.000 1.171 94 A CA 2.429 54.403 52.037 -0.106 0.000 0.640 94 A CB -0.647 18.304 19.000 -0.081 0.000 0.811 94 A HN 0.590 nan 8.150 nan 0.000 0.451 95 S N -0.486 115.169 115.700 -0.074 0.000 2.371 95 S HA -0.086 4.384 4.470 0.000 0.000 0.224 95 S C 1.836 176.411 174.600 -0.041 0.000 1.029 95 S CA 1.094 59.266 58.200 -0.046 0.000 0.978 95 S CB -0.615 62.563 63.200 -0.035 0.000 0.833 95 S HN 0.316 nan 8.310 nan 0.000 0.466 96 V N 2.504 122.385 119.914 -0.056 0.000 2.252 96 V HA -0.290 3.830 4.120 0.000 0.000 0.249 96 V C 2.815 178.888 176.094 -0.036 0.000 1.056 96 V CA 1.996 64.270 62.300 -0.043 0.000 1.022 96 V CB -1.307 30.481 31.823 -0.059 0.000 0.641 96 V HN 0.573 nan 8.190 nan 0.000 0.445 97 A N 0.136 122.927 122.820 -0.048 0.000 1.883 97 A HA -0.135 4.185 4.320 0.000 0.000 0.217 97 A C 2.445 180.017 177.584 -0.020 0.000 1.186 97 A CA 2.118 54.135 52.037 -0.033 0.000 0.624 97 A CB -1.423 17.553 19.000 -0.040 0.000 0.822 97 A HN 0.577 nan 8.150 nan 0.000 0.444 98 G N -0.380 108.407 108.800 -0.022 0.000 2.529 98 G HA2 -0.239 3.721 3.960 0.000 0.000 0.219 98 G HA3 -0.239 3.721 3.960 0.000 0.000 0.219 98 G C 1.548 176.443 174.900 -0.009 0.000 1.177 98 G CA 1.584 46.676 45.100 -0.012 0.000 0.773 98 G HN 0.364 nan 8.290 nan 0.000 0.573 99 V N 1.045 120.953 119.914 -0.011 0.000 2.261 99 V HA -0.144 3.976 4.120 0.000 0.000 0.246 99 V C 2.950 179.041 176.094 -0.005 0.000 1.047 99 V CA 1.719 64.015 62.300 -0.006 0.000 1.015 99 V CB -0.549 31.271 31.823 -0.006 0.000 0.642 99 V HN 0.369 nan 8.190 nan 0.000 0.446 100 L N -0.469 120.751 121.223 -0.006 0.000 2.079 100 L HA -0.219 4.121 4.340 0.000 0.000 0.210 100 L C 2.563 179.432 176.870 -0.003 0.000 1.081 100 L CA 1.696 56.534 54.840 -0.004 0.000 0.752 100 L CB -0.714 41.343 42.059 -0.004 0.000 0.896 100 L HN 0.316 nan 8.230 nan 0.000 0.433 101 K N 0.031 120.429 120.400 -0.003 0.000 2.147 101 K HA -0.092 4.228 4.320 0.000 0.000 0.205 101 K C 1.998 178.597 176.600 -0.002 0.000 1.049 101 K CA 1.188 57.474 56.287 -0.002 0.000 0.936 101 K CB -0.335 32.165 32.500 0.000 0.000 0.722 101 K HN 0.401 nan 8.250 nan 0.000 0.446 102 G N 0.869 109.667 108.800 -0.002 0.000 2.813 102 G HA2 0.032 3.992 3.960 0.000 0.000 0.209 102 G HA3 0.032 3.992 3.960 0.000 0.000 0.209 102 G C 0.593 175.492 174.900 -0.002 0.000 1.150 102 G CA -0.011 45.088 45.100 -0.002 0.000 0.785 102 G HN -0.002 nan 8.290 nan 0.000 0.535 103 L N -0.470 120.752 121.223 -0.002 0.000 2.431 103 L HA 0.336 4.676 4.340 0.000 0.000 0.260 103 L C 0.803 177.671 176.870 -0.002 0.000 1.098 103 L CA -0.761 54.079 54.840 -0.001 0.000 0.800 103 L CB 0.977 43.036 42.059 -0.000 0.000 1.210 103 L HN -0.065 nan 8.230 nan 0.000 0.465 104 N N 0.021 118.720 118.700 -0.002 0.000 2.376 104 N HA 0.138 4.878 4.740 0.000 0.000 0.249 104 N C -0.131 175.377 175.510 -0.002 0.000 1.140 104 N CA -0.167 52.881 53.050 -0.003 0.000 0.870 104 N CB 0.315 38.800 38.487 -0.003 0.000 1.124 104 N HN 0.689 nan 8.380 nan 0.000 0.505 105 G N -1.101 107.698 108.800 -0.001 0.000 2.356 105 G HA2 0.500 4.460 3.960 0.000 0.000 0.298 105 G HA3 0.500 4.460 3.960 0.000 0.000 0.298 105 G C 0.799 175.699 174.900 -0.001 0.000 1.145 105 G CA -0.318 44.782 45.100 -0.000 0.000 0.850 105 G HN 0.276 nan 8.290 nan 0.000 0.487 106 A N 1.928 124.748 122.820 -0.001 0.000 2.067 106 A HA 0.193 4.513 4.320 0.000 0.000 0.219 106 A C 1.082 178.667 177.584 0.000 0.000 1.158 106 A CA 1.657 53.693 52.037 -0.001 0.000 0.661 106 A CB -0.223 18.776 19.000 -0.002 0.000 0.801 106 A HN 0.740 nan 8.150 nan 0.000 0.452 107 D N -3.252 117.149 120.400 0.002 0.000 2.626 107 D HA 0.688 5.329 4.640 0.000 0.000 0.278 107 D C -0.734 175.569 176.300 0.006 0.000 1.211 107 D CA -0.026 53.977 54.000 0.004 0.000 0.903 107 D CB 1.099 41.902 40.800 0.004 0.000 1.408 107 D HN 0.478 nan 8.370 nan 0.000 0.454 108 A N -0.445 122.380 122.820 0.008 0.000 2.589 108 A HA 0.612 4.932 4.320 0.000 0.000 0.296 108 A C -1.726 175.868 177.584 0.016 0.000 1.062 108 A CA -0.714 51.330 52.037 0.011 0.000 0.686 108 A CB 1.739 20.745 19.000 0.010 0.000 1.282 108 A HN 0.454 nan 8.150 nan 0.000 0.404 109 V N 2.055 121.981 119.914 0.021 0.000 2.448 109 V HA 0.490 4.610 4.120 0.000 0.000 0.295 109 V C -1.110 175.010 176.094 0.042 0.000 1.025 109 V CA -0.497 61.820 62.300 0.028 0.000 0.859 109 V CB 1.378 33.216 31.823 0.024 0.000 0.988 109 V HN 0.691 nan 8.190 nan 0.000 0.431 110 L N 4.524 125.783 121.223 0.060 0.000 2.280 110 L HA 0.702 5.042 4.340 0.000 0.000 0.287 110 L C 0.496 177.435 176.870 0.115 0.000 1.023 110 L CA -0.244 54.651 54.840 0.091 0.000 0.819 110 L CB 1.300 43.428 42.059 0.116 0.000 1.212 110 L HN 0.757 nan 8.230 nan 0.000 0.420 111 A N 5.611 128.495 122.820 0.108 0.000 2.923 111 A HA 0.587 4.907 4.320 0.000 0.000 0.343 111 A C 0.219 177.884 177.584 0.136 0.000 1.199 111 A CA -0.225 51.879 52.037 0.111 0.000 0.878 111 A CB -0.273 18.771 19.000 0.073 0.000 1.104 111 A HN 0.686 nan 8.150 nan 0.000 0.483 112 L N 0.447 121.792 121.223 0.203 0.000 3.062 112 L HA 0.187 4.528 4.340 0.000 0.000 0.255 112 L C 0.969 177.949 176.870 0.183 0.000 1.274 112 L CA -0.097 54.869 54.840 0.210 0.000 1.047 112 L CB 0.384 42.624 42.059 0.302 0.000 1.402 112 L HN 0.539 nan 8.230 nan 0.000 0.550 113 D N 0.688 121.191 120.400 0.172 0.000 2.264 113 D HA -0.167 4.473 4.640 0.000 0.000 0.208 113 D C 1.414 177.747 176.300 0.054 0.000 0.966 113 D CA 1.177 55.272 54.000 0.157 0.000 0.864 113 D CB 0.395 41.288 40.800 0.155 0.000 0.933 113 D HN 0.219 nan 8.370 nan 0.000 0.499 114 D N -0.566 119.855 120.400 0.036 0.000 2.355 114 D HA -0.009 4.631 4.640 0.000 0.000 0.218 114 D C 0.052 176.323 176.300 -0.048 0.000 1.004 114 D CA 0.127 54.126 54.000 -0.001 0.000 0.880 114 D CB 0.368 41.176 40.800 0.014 0.000 0.911 114 D HN 0.066 nan 8.370 nan 0.000 0.528 115 V N 1.614 121.479 119.914 -0.082 0.000 2.470 115 V HA 0.336 4.456 4.120 0.000 0.000 0.276 115 V C 0.606 176.519 176.094 -0.302 0.000 1.040 115 V CA -0.817 61.383 62.300 -0.166 0.000 1.008 115 V CB 0.830 32.556 31.823 -0.162 0.000 0.990 115 V HN 0.062 nan 8.190 nan 0.000 0.477 116 A N 5.565 128.241 122.820 -0.240 0.000 2.331 116 A HA 0.694 5.014 4.320 0.000 0.000 0.283 116 A C -0.404 176.978 177.584 -0.336 0.000 1.142 116 A CA -0.386 51.497 52.037 -0.258 0.000 0.812 116 A CB 0.816 19.721 19.000 -0.158 0.000 1.074 116 A HN 0.669 nan 8.150 nan 0.000 0.497 117 V N 3.467 123.147 119.914 -0.390 0.000 2.409 117 V HA 0.170 4.290 4.120 0.000 0.000 0.291 117 V C 0.265 176.233 176.094 -0.210 0.000 1.020 117 V CA -0.943 61.134 62.300 -0.373 0.000 0.848 117 V CB 1.332 32.800 31.823 -0.593 0.000 0.990 117 V HN 0.975 nan 8.190 nan 0.000 0.430 118 N N 4.242 122.860 118.700 -0.137 0.000 2.365 118 N HA -0.045 4.695 4.740 0.000 0.000 0.265 118 N C 0.859 176.329 175.510 -0.066 0.000 1.288 118 N CA 1.191 54.191 53.050 -0.083 0.000 0.869 118 N CB -0.323 38.133 38.487 -0.053 0.000 1.071 118 N HN 0.777 nan 8.380 nan 0.000 0.480 119 N N 0.459 119.127 118.700 -0.054 0.000 2.863 119 N HA -0.216 4.524 4.740 0.000 0.000 0.245 119 N C -1.255 174.239 175.510 -0.027 0.000 1.001 119 N CA 1.080 54.111 53.050 -0.031 0.000 0.901 119 N CB -0.315 38.164 38.487 -0.013 0.000 1.124 119 N HN 0.553 nan 8.380 nan 0.000 0.582 120 R N 0.910 121.376 120.500 -0.058 0.000 2.589 120 R HA 0.291 4.631 4.340 0.000 0.000 0.293 120 R C -0.535 175.726 176.300 -0.065 0.000 0.963 120 R CA -0.556 55.516 56.100 -0.046 0.000 0.905 120 R CB 0.963 31.213 30.300 -0.084 0.000 1.144 120 R HN 0.274 nan 8.270 nan 0.000 0.459 121 D N 0.618 121.009 120.400 -0.015 0.000 2.341 121 D HA 0.090 4.730 4.640 0.000 0.000 0.245 121 D C 0.753 176.998 176.300 -0.092 0.000 1.106 121 D CA -0.473 53.500 54.000 -0.044 0.000 0.905 121 D CB 0.841 41.651 40.800 0.017 0.000 1.202 121 D HN 0.463 nan 8.370 nan 0.000 0.426 122 A N 1.490 124.178 122.820 -0.220 0.000 2.225 122 A HA -0.173 4.148 4.320 0.000 0.000 0.215 122 A C 1.200 178.734 177.584 -0.083 0.000 1.164 122 A CA 1.053 52.929 52.037 -0.269 0.000 0.710 122 A CB -0.605 18.166 19.000 -0.381 0.000 0.780 122 A HN 0.667 nan 8.150 nan 0.000 0.473 123 H N -3.928 115.245 119.070 0.170 0.000 2.426 123 H HA 0.130 4.686 4.556 0.000 0.000 0.286 123 H C 1.650 177.156 175.328 0.297 0.000 0.990 123 H CA 1.285 57.474 56.048 0.234 0.000 1.237 123 H CB -0.490 29.353 29.762 0.135 0.000 1.466 123 H HN 0.571 nan 8.280 nan 0.000 0.525 124 Y N 1.154 121.598 120.300 0.241 0.000 2.284 124 Y HA 0.201 4.751 4.550 0.000 0.000 0.293 124 Y C 2.584 178.588 175.900 0.174 0.000 1.140 124 Y CA 1.359 59.569 58.100 0.184 0.000 1.153 124 Y CB -0.440 38.095 38.460 0.125 0.000 1.114 124 Y HN 0.122 nan 8.280 nan 0.000 0.521 125 G N 0.843 109.728 108.800 0.143 0.000 2.440 125 G HA2 -0.310 3.650 3.960 0.000 0.000 0.218 125 G HA3 -0.310 3.650 3.960 0.000 0.000 0.218 125 G C 1.701 176.586 174.900 -0.025 0.000 1.154 125 G CA 1.060 46.172 45.100 0.021 0.000 0.767 125 G HN 0.382 nan 8.290 nan 0.000 0.552 126 K N -0.658 119.714 120.400 -0.046 0.000 2.044 126 K HA -0.166 4.154 4.320 0.000 0.000 0.210 126 K C 2.122 178.698 176.600 -0.039 0.000 1.049 126 K CA 1.524 57.699 56.287 -0.187 0.000 0.927 126 K CB -0.282 31.976 32.500 -0.402 0.000 0.713 126 K HN 0.463 nan 8.250 nan 0.000 0.443 127 Y N -0.008 120.343 120.300 0.086 0.000 2.490 127 Y HA 0.090 4.640 4.550 0.000 0.000 0.285 127 Y C 2.298 178.201 175.900 0.005 0.000 1.117 127 Y CA 0.036 58.199 58.100 0.104 0.000 1.262 127 Y CB 0.209 38.712 38.460 0.071 0.000 1.043 127 Y HN -0.027 nan 8.280 nan 0.000 0.553 128 R N -0.015 120.478 120.500 -0.012 0.000 2.097 128 R HA -0.190 4.150 4.340 0.000 0.000 0.236 128 R C 1.946 178.256 176.300 0.018 0.000 1.135 128 R CA 1.322 57.371 56.100 -0.084 0.000 0.934 128 R CB -0.975 29.191 30.300 -0.224 0.000 0.846 128 R HN 0.305 nan 8.270 nan 0.000 0.431 129 L N 0.788 122.052 121.223 0.069 0.000 1.994 129 L HA -0.128 4.213 4.340 0.000 0.000 0.208 129 L C 2.570 179.432 176.870 -0.014 0.000 1.071 129 L CA 1.262 56.147 54.840 0.075 0.000 0.745 129 L CB -1.083 41.104 42.059 0.213 0.000 0.892 129 L HN 0.171 nan 8.230 nan 0.000 0.431 130 L N -0.886 120.348 121.223 0.020 0.000 2.012 130 L HA -0.245 4.095 4.340 0.000 0.000 0.210 130 L C 2.443 179.284 176.870 -0.049 0.000 1.073 130 L CA 1.812 56.557 54.840 -0.158 0.000 0.748 130 L CB -0.343 41.695 42.059 -0.035 0.000 0.891 130 L HN 0.250 nan 8.230 nan 0.000 0.431 131 A N -0.775 122.078 122.820 0.056 0.000 1.897 131 A HA -0.243 4.077 4.320 0.000 0.000 0.215 131 A C 2.238 179.832 177.584 0.017 0.000 1.181 131 A CA 1.567 53.636 52.037 0.053 0.000 0.620 131 A CB -0.648 18.400 19.000 0.080 0.000 0.821 131 A HN 0.624 nan 8.150 nan 0.000 0.443 132 E N -0.641 119.565 120.200 0.010 0.000 2.077 132 E HA -0.162 4.188 4.350 0.000 0.000 0.193 132 E C 1.913 178.504 176.600 -0.015 0.000 0.989 132 E CA 1.642 58.046 56.400 0.006 0.000 0.800 132 E CB -0.140 29.565 29.700 0.008 0.000 0.746 132 E HN 0.528 nan 8.360 nan 0.000 0.452 133 T N 1.407 115.931 114.554 -0.050 0.000 2.746 133 T HA -0.162 4.188 4.350 0.000 0.000 0.267 133 T C 1.752 176.418 174.700 -0.056 0.000 1.039 133 T CA 1.236 63.292 62.100 -0.074 0.000 1.142 133 T CB -0.244 68.535 68.868 -0.149 0.000 0.866 133 T HN 0.153 nan 8.240 nan 0.000 0.444 134 L N 0.772 121.960 121.223 -0.058 0.000 2.056 134 L HA 0.123 4.463 4.340 0.000 0.000 0.207 134 L C 2.076 178.946 176.870 -0.000 0.000 1.078 134 L CA 1.603 56.421 54.840 -0.037 0.000 0.749 134 L CB -0.674 41.362 42.059 -0.037 0.000 0.901 134 L HN 0.228 nan 8.230 nan 0.000 0.433 135 L N -0.576 120.655 121.223 0.013 0.000 2.072 135 L HA -0.143 4.197 4.340 0.000 0.000 0.205 135 L C 2.300 179.204 176.870 0.058 0.000 1.079 135 L CA 1.426 56.288 54.840 0.036 0.000 0.752 135 L CB -0.746 41.337 42.059 0.040 0.000 0.906 135 L HN 0.310 nan 8.230 nan 0.000 0.436 136 D N 0.334 120.761 120.400 0.044 0.000 2.144 136 D HA -0.147 4.493 4.640 0.000 0.000 0.199 136 D C 2.124 178.474 176.300 0.084 0.000 0.984 136 D CA 1.314 55.348 54.000 0.056 0.000 0.834 136 D CB -0.064 40.744 40.800 0.014 0.000 0.955 136 D HN 0.204 nan 8.370 nan 0.000 0.465 137 G N -0.226 108.605 108.800 0.051 0.000 2.625 137 G HA2 -0.182 3.778 3.960 0.000 0.000 0.214 137 G HA3 -0.182 3.778 3.960 0.000 0.000 0.214 137 G C 1.386 176.334 174.900 0.080 0.000 1.132 137 G CA 0.153 45.288 45.100 0.058 0.000 0.782 137 G HN 0.192 nan 8.290 nan 0.000 0.538 138 E N -0.382 119.870 120.200 0.086 0.000 2.347 138 E HA -0.054 4.296 4.350 0.000 0.000 0.196 138 E C 0.304 176.962 176.600 0.096 0.000 1.008 138 E CA -0.321 56.123 56.400 0.073 0.000 0.852 138 E CB -0.190 29.546 29.700 0.060 0.000 0.783 138 E HN 0.591 nan 8.360 nan 0.000 0.505 139 Y N 0.926 121.250 120.300 0.040 0.000 2.810 139 Y HA -0.033 4.518 4.550 0.000 0.000 0.332 139 Y C -0.257 175.690 175.900 0.079 0.000 1.243 139 Y CA 0.354 58.492 58.100 0.064 0.000 1.537 139 Y CB 0.434 38.934 38.460 0.065 0.000 1.265 139 Y HN -0.338 nan 8.280 nan 0.000 0.572 140 V N 8.540 128.066 119.914 -0.646 0.000 2.623 140 V HA 0.229 4.350 4.120 0.000 0.000 0.304 140 V C -1.274 174.508 176.094 -0.520 0.000 1.054 140 V CA -0.984 61.064 62.300 -0.419 0.000 0.882 140 V CB 1.621 33.326 31.823 -0.197 0.000 1.002 140 V HN 0.649 nan 8.190 nan 0.000 0.424 141 F N 5.738 125.456 119.950 -0.386 0.000 2.363 141 F HA 0.479 5.006 4.527 0.000 0.000 0.366 141 F C 0.448 176.231 175.800 -0.029 0.000 1.083 141 F CA -0.512 57.393 58.000 -0.159 0.000 1.176 141 F CB 0.826 39.880 39.000 0.090 0.000 1.432 141 F HN 0.668 nan 8.300 nan 0.000 0.482 142 D N 3.102 123.287 120.400 -0.360 0.000 2.535 142 D HA 0.026 4.666 4.640 0.000 0.000 0.229 142 D C 1.546 177.613 176.300 -0.389 0.000 1.238 142 D CA -0.275 53.557 54.000 -0.279 0.000 0.824 142 D CB -0.236 40.475 40.800 -0.147 0.000 1.045 142 D HN 0.614 nan 8.370 nan 0.000 0.500 143 R N -0.083 120.010 120.500 -0.678 0.000 2.293 143 R HA 0.001 4.341 4.340 0.000 0.000 0.219 143 R C 0.314 176.150 176.300 -0.772 0.000 1.091 143 R CA 0.893 56.571 56.100 -0.705 0.000 1.004 143 R CB -0.728 29.093 30.300 -0.798 0.000 0.865 143 R HN 0.096 nan 8.270 nan 0.000 0.469 144 F N 0.757 120.505 119.950 -0.337 0.000 2.653 144 F HA 0.346 4.873 4.527 0.000 0.000 0.304 144 F C 0.232 175.957 175.800 -0.126 0.000 1.092 144 F CA -0.567 57.319 58.000 -0.189 0.000 1.279 144 F CB 0.440 39.352 39.000 -0.146 0.000 1.044 144 F HN -0.248 nan 8.300 nan 0.000 0.564 145 K N 0.372 120.755 120.400 -0.028 0.000 2.249 145 K HA 0.249 4.569 4.320 0.000 0.000 0.280 145 K C 1.021 177.596 176.600 -0.041 0.000 1.033 145 K CA 0.007 56.281 56.287 -0.022 0.000 0.946 145 K CB 1.542 34.019 32.500 -0.039 0.000 1.005 145 K HN -0.038 nan 8.250 nan 0.000 0.469 146 S N 1.865 117.553 115.700 -0.021 0.000 2.371 146 S HA -0.093 4.377 4.470 0.000 0.000 0.224 146 S C 0.399 174.978 174.600 -0.035 0.000 1.029 146 S CA 1.044 59.227 58.200 -0.028 0.000 0.978 146 S CB 0.145 63.336 63.200 -0.014 0.000 0.833 146 S HN 0.488 nan 8.310 nan 0.000 0.466 147 Q N 1.845 121.628 119.800 -0.029 0.000 2.636 147 Q HA 0.256 4.596 4.340 0.000 0.000 0.233 147 Q C -1.037 174.941 176.000 -0.037 0.000 1.143 147 Q CA -0.130 55.655 55.803 -0.030 0.000 0.969 147 Q CB 0.616 29.342 28.738 -0.021 0.000 1.185 147 Q HN 0.331 nan 8.270 nan 0.000 0.546 148 K N 0.955 121.324 120.400 -0.051 0.000 2.401 148 K HA 0.155 4.475 4.320 0.000 0.000 0.278 148 K C 0.068 176.640 176.600 -0.048 0.000 1.018 148 K CA -0.357 55.894 56.287 -0.061 0.000 0.981 148 K CB 0.868 33.318 32.500 -0.084 0.000 0.933 148 K HN 0.184 nan 8.250 nan 0.000 0.477 149 V N 3.312 123.199 119.914 -0.044 0.000 2.694 149 V HA -0.106 4.014 4.120 0.000 0.000 0.306 149 V C 0.708 176.780 176.094 -0.037 0.000 1.054 149 V CA 0.359 62.639 62.300 -0.035 0.000 1.161 149 V CB -0.009 31.796 31.823 -0.030 0.000 0.916 149 V HN 0.698 nan 8.190 nan 0.000 0.490 150 E N 5.303 125.485 120.200 -0.029 0.000 2.414 150 E HA 0.144 4.494 4.350 0.000 0.000 0.263 150 E C -2.113 174.471 176.600 -0.028 0.000 1.000 150 E CA -1.220 55.164 56.400 -0.028 0.000 0.914 150 E CB 0.112 29.799 29.700 -0.022 0.000 0.948 150 E HN 0.555 nan 8.360 nan 0.000 0.444 151 P HA -0.070 nan 4.420 nan 0.000 0.267 151 P C -0.480 176.807 177.300 -0.021 0.000 1.195 151 P CA 0.381 63.464 63.100 -0.028 0.000 0.773 151 P CB 0.500 32.183 31.700 -0.027 0.000 0.837 152 R N 1.412 121.900 120.500 -0.019 0.000 2.543 152 R HA 0.240 4.580 4.340 0.000 0.000 0.277 152 R C 1.381 177.675 176.300 -0.010 0.000 1.074 152 R CA 0.000 56.093 56.100 -0.013 0.000 1.076 152 R CB 0.402 30.695 30.300 -0.010 0.000 0.993 152 R HN 0.519 nan 8.270 nan 0.000 0.459 153 A N 3.831 126.646 122.820 -0.008 0.000 1.969 153 A HA -0.101 4.219 4.320 0.000 0.000 0.218 153 A C 0.894 178.475 177.584 -0.005 0.000 1.169 153 A CA 0.559 52.592 52.037 -0.007 0.000 0.635 153 A CB -0.179 18.817 19.000 -0.006 0.000 0.810 153 A HN 0.518 nan 8.150 nan 0.000 0.445 154 L N 0.251 121.472 121.223 -0.004 0.000 2.530 154 L HA 0.169 4.509 4.340 0.000 0.000 0.273 154 L C 0.685 177.555 176.870 -0.001 0.000 1.141 154 L CA 0.858 55.697 54.840 -0.001 0.000 0.905 154 L CB 0.276 42.335 42.059 -0.000 0.000 1.202 154 L HN 0.251 nan 8.230 nan 0.000 0.473 155 K N 3.129 123.529 120.400 0.000 0.000 2.511 155 K HA 0.275 4.595 4.320 0.000 0.000 0.209 155 K C -0.338 176.264 176.600 0.003 0.000 1.301 155 K CA -0.026 56.261 56.287 0.001 0.000 0.967 155 K CB 0.740 33.239 32.500 -0.002 0.000 1.109 155 K HN 0.440 nan 8.250 nan 0.000 0.561 156 K N 1.161 121.563 120.400 0.003 0.000 2.422 156 K HA 0.506 4.827 4.320 0.000 0.000 0.251 156 K C -1.428 175.176 176.600 0.007 0.000 0.933 156 K CA -0.753 55.537 56.287 0.005 0.000 0.798 156 K CB 3.214 35.715 32.500 0.003 0.000 1.238 156 K HN -0.258 nan 8.250 nan 0.000 0.428 157 V N 1.966 121.886 119.914 0.009 0.000 2.577 157 V HA 0.292 4.412 4.120 0.000 0.000 0.303 157 V C -0.659 175.443 176.094 0.013 0.000 1.042 157 V CA -0.751 61.557 62.300 0.013 0.000 0.872 157 V CB 2.228 34.061 31.823 0.017 0.000 0.998 157 V HN 0.811 nan 8.190 nan 0.000 0.423 158 T N 6.431 120.992 114.554 0.013 0.000 2.845 158 T HA 0.649 4.999 4.350 0.000 0.000 0.288 158 T C -0.287 174.425 174.700 0.019 0.000 0.980 158 T CA -0.272 61.833 62.100 0.008 0.000 1.071 158 T CB 0.772 69.642 68.868 0.004 0.000 0.941 158 T HN 0.366 nan 8.240 nan 0.000 0.487 159 L N 3.588 124.814 121.223 0.004 0.000 2.282 159 L HA 0.508 4.848 4.340 0.000 0.000 0.288 159 L C -0.215 176.636 176.870 -0.031 0.000 1.033 159 L CA -0.878 53.968 54.840 0.011 0.000 0.807 159 L CB 0.903 42.947 42.059 -0.025 0.000 1.209 159 L HN 0.375 nan 8.230 nan 0.000 0.423 160 L N 3.446 124.675 121.223 0.011 0.000 2.292 160 L HA 0.747 5.087 4.340 0.000 0.000 0.284 160 L C 0.251 177.114 176.870 -0.011 0.000 1.065 160 L CA -0.156 54.682 54.840 -0.003 0.000 0.806 160 L CB 1.383 43.458 42.059 0.026 0.000 1.175 160 L HN 0.767 nan 8.230 nan 0.000 0.431 161 A N 2.325 125.112 122.820 -0.055 0.000 2.485 161 A HA 0.630 4.950 4.320 0.000 0.000 0.292 161 A C -1.124 176.440 177.584 -0.034 0.000 1.147 161 A CA -0.747 51.262 52.037 -0.047 0.000 0.750 161 A CB 1.500 20.405 19.000 -0.158 0.000 1.331 161 A HN 0.710 nan 8.150 nan 0.000 0.419 162 D N -0.075 120.317 120.400 -0.012 0.000 2.411 162 D HA 0.190 4.831 4.640 0.000 0.000 0.251 162 D C 0.388 176.640 176.300 -0.080 0.000 1.201 162 D CA -0.241 53.745 54.000 -0.022 0.000 0.996 162 D CB 0.736 41.548 40.800 0.020 0.000 1.101 162 D HN 0.445 nan 8.370 nan 0.000 0.504 163 K N -0.299 120.067 120.400 -0.058 0.000 2.217 163 K HA 0.037 4.357 4.320 0.000 0.000 0.202 163 K C 1.849 178.397 176.600 -0.087 0.000 1.051 163 K CA 1.015 57.263 56.287 -0.066 0.000 0.952 163 K CB -0.086 32.391 32.500 -0.038 0.000 0.736 163 K HN 0.499 nan 8.250 nan 0.000 0.453 164 A N 0.773 123.540 122.820 -0.089 0.000 1.968 164 A HA -0.019 4.301 4.320 0.000 0.000 0.217 164 A C 2.243 179.680 177.584 -0.245 0.000 1.169 164 A CA 1.598 53.574 52.037 -0.102 0.000 0.638 164 A CB -0.657 18.325 19.000 -0.031 0.000 0.812 164 A HN 0.389 nan 8.150 nan 0.000 0.446 165 G N -1.114 107.406 108.800 -0.467 0.000 2.623 165 G HA2 -0.063 3.897 3.960 0.000 0.000 0.214 165 G HA3 -0.063 3.897 3.960 0.000 0.000 0.214 165 G C 1.422 176.054 174.900 -0.446 0.000 1.138 165 G CA 0.789 45.297 45.100 -0.987 0.000 0.794 165 G HN 0.602 nan 8.290 nan 0.000 0.535 166 Q N 0.519 120.161 119.800 -0.263 0.000 2.029 166 Q HA -0.189 4.151 4.340 0.000 0.000 0.209 166 Q C 2.780 178.705 176.000 -0.126 0.000 0.999 166 Q CA 2.206 57.907 55.803 -0.170 0.000 0.857 166 Q CB -0.401 28.266 28.738 -0.118 0.000 0.926 166 Q HN 0.364 nan 8.270 nan 0.000 0.415 167 A N 0.444 123.205 122.820 -0.098 0.000 1.958 167 A HA -0.252 4.068 4.320 0.000 0.000 0.221 167 A C 1.889 179.451 177.584 -0.037 0.000 1.178 167 A CA 1.938 53.939 52.037 -0.059 0.000 0.642 167 A CB -0.552 18.421 19.000 -0.045 0.000 0.816 167 A HN 0.487 nan 8.150 nan 0.000 0.453 168 E N -0.548 119.636 120.200 -0.027 0.000 2.060 168 E HA -0.027 4.323 4.350 0.000 0.000 0.189 168 E C 2.251 178.918 176.600 0.111 0.000 0.974 168 E CA 1.082 57.525 56.400 0.071 0.000 0.808 168 E CB -0.753 29.019 29.700 0.121 0.000 0.768 168 E HN 0.368 nan 8.360 nan 0.000 0.453 169 V N 1.885 121.799 119.914 0.000 0.000 2.380 169 V HA -0.262 3.858 4.120 0.000 0.000 0.251 169 V C 2.210 178.253 176.094 -0.085 0.000 1.063 169 V CA 1.940 64.181 62.300 -0.099 0.000 1.055 169 V CB -0.490 31.133 31.823 -0.334 0.000 0.657 169 V HN 0.246 nan 8.190 nan 0.000 0.455 170 E N -0.422 119.734 120.200 -0.073 0.000 2.106 170 E HA -0.217 4.133 4.350 0.000 0.000 0.192 170 E C 2.466 179.028 176.600 -0.063 0.000 0.984 170 E CA 1.047 57.408 56.400 -0.065 0.000 0.806 170 E CB -0.126 29.538 29.700 -0.060 0.000 0.750 170 E HN 0.470 nan 8.360 nan 0.000 0.458 171 R N 0.452 120.925 120.500 -0.045 0.000 2.075 171 R HA -0.108 4.232 4.340 0.000 0.000 0.232 171 R C 2.236 178.418 176.300 -0.196 0.000 1.126 171 R CA 1.214 57.231 56.100 -0.137 0.000 0.963 171 R CB -0.188 30.078 30.300 -0.056 0.000 0.858 171 R HN 0.124 nan 8.270 nan 0.000 0.435 172 A N 0.384 123.220 122.820 0.026 0.000 1.873 172 A HA -0.166 4.154 4.320 0.000 0.000 0.218 172 A C 2.257 179.795 177.584 -0.077 0.000 1.193 172 A CA 1.961 53.908 52.037 -0.149 0.000 0.629 172 A CB -0.842 18.069 19.000 -0.149 0.000 0.826 172 A HN 0.241 nan 8.150 nan 0.000 0.447 173 V N 0.234 120.125 119.914 -0.039 0.000 2.490 173 V HA -0.258 3.863 4.120 0.000 0.000 0.250 173 V C 2.529 178.621 176.094 -0.002 0.000 1.061 173 V CA 2.339 64.634 62.300 -0.008 0.000 1.064 173 V CB -0.662 31.151 31.823 -0.016 0.000 0.670 173 V HN 0.672 nan 8.190 nan 0.000 0.461 174 K N -0.479 119.897 120.400 -0.040 0.000 2.026 174 K HA -0.201 4.119 4.320 0.000 0.000 0.208 174 K C 2.121 178.784 176.600 0.106 0.000 1.048 174 K CA 1.938 58.225 56.287 -0.000 0.000 0.929 174 K CB -0.221 32.250 32.500 -0.049 0.000 0.713 174 K HN 0.658 nan 8.250 nan 0.000 0.439 175 H N -0.740 118.374 119.070 0.075 0.000 2.333 175 H HA -0.011 4.545 4.556 0.000 0.000 0.302 175 H C 2.132 177.485 175.328 0.041 0.000 1.075 175 H CA 0.620 56.711 56.048 0.072 0.000 1.348 175 H CB 0.019 29.856 29.762 0.126 0.000 1.393 175 H HN 0.345 nan 8.280 nan 0.000 0.509 176 A N 0.852 123.763 122.820 0.153 0.000 1.927 176 A HA -0.252 4.068 4.320 0.000 0.000 0.220 176 A C 2.468 180.094 177.584 0.070 0.000 1.185 176 A CA 2.171 54.256 52.037 0.080 0.000 0.639 176 A CB -0.776 18.253 19.000 0.048 0.000 0.820 176 A HN 0.340 nan 8.150 nan 0.000 0.451 177 S N -0.310 115.431 115.700 0.068 0.000 2.368 177 S HA 0.002 4.472 4.470 0.000 0.000 0.224 177 S C 2.317 176.953 174.600 0.061 0.000 1.029 177 S CA 1.159 59.393 58.200 0.057 0.000 0.988 177 S CB -0.507 62.721 63.200 0.047 0.000 0.838 177 S HN 0.835 nan 8.310 nan 0.000 0.462 178 A N 1.513 124.377 122.820 0.073 0.000 1.902 178 A HA -0.032 4.289 4.320 0.000 0.000 0.217 178 A C 2.080 179.696 177.584 0.055 0.000 1.181 178 A CA 1.164 53.237 52.037 0.061 0.000 0.623 178 A CB -0.732 18.308 19.000 0.067 0.000 0.818 178 A HN 0.469 nan 8.150 nan 0.000 0.443 179 I N -0.342 120.264 120.570 0.060 0.000 2.226 179 I HA -0.299 3.871 4.170 0.000 0.000 0.245 179 I C 2.930 179.076 176.117 0.049 0.000 1.100 179 I CA 1.168 62.497 61.300 0.048 0.000 1.374 179 I CB -0.252 37.776 38.000 0.047 0.000 1.057 179 I HN 0.375 nan 8.210 nan 0.000 0.413 180 A N -0.015 122.836 122.820 0.052 0.000 1.897 180 A HA -0.147 4.173 4.320 0.000 0.000 0.215 180 A C 2.355 179.984 177.584 0.076 0.000 1.181 180 A CA 2.025 54.094 52.037 0.055 0.000 0.620 180 A CB -0.956 18.076 19.000 0.053 0.000 0.821 180 A HN 0.347 nan 8.150 nan 0.000 0.443 181 T N -0.020 114.580 114.554 0.076 0.000 2.720 181 T HA -0.078 4.272 4.350 0.000 0.000 0.268 181 T C 1.955 176.723 174.700 0.113 0.000 1.037 181 T CA 1.536 63.686 62.100 0.083 0.000 1.144 181 T CB -0.621 68.279 68.868 0.053 0.000 0.864 181 T HN 0.579 nan 8.240 nan 0.000 0.444 182 G N 1.094 109.956 108.800 0.104 0.000 2.421 182 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 182 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 182 G C 1.578 176.566 174.900 0.148 0.000 1.171 182 G CA 0.750 45.937 45.100 0.146 0.000 0.775 182 G HN 0.397 nan 8.290 nan 0.000 0.543 183 M N 0.765 120.414 119.600 0.082 0.000 2.108 183 M HA -0.063 4.417 4.480 0.000 0.000 0.261 183 M C 3.033 179.342 176.300 0.015 0.000 1.066 183 M CA 1.486 56.803 55.300 0.027 0.000 1.107 183 M CB -0.219 32.379 32.600 -0.005 0.000 1.356 183 M HN 0.334 nan 8.290 nan 0.000 0.406 184 A N -0.100 122.777 122.820 0.096 0.000 1.933 184 A HA -0.192 4.128 4.320 0.000 0.000 0.218 184 A C 1.952 179.706 177.584 0.284 0.000 1.175 184 A CA 1.323 53.479 52.037 0.199 0.000 0.628 184 A CB -0.898 18.285 19.000 0.304 0.000 0.814 184 A HN 0.491 nan 8.150 nan 0.000 0.444 185 F N 1.550 121.542 119.950 0.070 0.000 2.075 185 F HA -0.124 4.403 4.527 0.000 0.000 0.297 185 F C 2.517 178.333 175.800 0.026 0.000 1.113 185 F CA 2.076 60.103 58.000 0.044 0.000 1.218 185 F CB -1.124 37.890 39.000 0.022 0.000 0.984 185 F HN 0.227 nan 8.300 nan 0.000 0.472 186 T N 0.877 115.434 114.554 0.005 0.000 2.699 186 T HA -0.236 4.114 4.350 0.000 0.000 0.268 186 T C 2.130 176.778 174.700 -0.088 0.000 1.036 186 T CA 1.939 63.984 62.100 -0.092 0.000 1.147 186 T CB -0.251 68.599 68.868 -0.030 0.000 0.862 186 T HN 0.245 nan 8.240 nan 0.000 0.446 187 R N 0.741 121.177 120.500 -0.106 0.000 2.066 187 R HA -0.052 4.288 4.340 0.000 0.000 0.232 187 R C 2.367 178.610 176.300 -0.095 0.000 1.131 187 R CA 1.407 57.384 56.100 -0.205 0.000 0.955 187 R CB -0.312 29.600 30.300 -0.647 0.000 0.851 187 R HN 0.313 nan 8.270 nan 0.000 0.432 188 D N 0.940 121.393 120.400 0.089 0.000 2.126 188 D HA -0.201 4.439 4.640 0.000 0.000 0.190 188 D C 1.954 178.241 176.300 -0.023 0.000 1.001 188 D CA 1.339 55.411 54.000 0.119 0.000 0.841 188 D CB -0.269 40.729 40.800 0.331 0.000 0.949 188 D HN 0.166 nan 8.370 nan 0.000 0.446 189 L N 0.377 121.573 121.223 -0.045 0.000 2.046 189 L HA -0.066 4.274 4.340 0.000 0.000 0.208 189 L C 2.656 179.489 176.870 -0.062 0.000 1.077 189 L CA 1.367 56.172 54.840 -0.058 0.000 0.747 189 L CB -0.880 41.063 42.059 -0.192 0.000 0.896 189 L HN 0.090 nan 8.230 nan 0.000 0.432 190 G N 0.381 109.153 108.800 -0.048 0.000 2.491 190 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 190 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 190 G C 1.354 176.208 174.900 -0.077 0.000 1.180 190 G CA 1.078 46.203 45.100 0.042 0.000 0.774 190 G HN 0.353 nan 8.290 nan 0.000 0.562 191 N N 0.171 118.757 118.700 -0.189 0.000 2.457 191 N HA 0.035 4.775 4.740 0.000 0.000 0.180 191 N C 0.724 176.007 175.510 -0.378 0.000 1.050 191 N CA -0.027 52.792 53.050 -0.386 0.000 0.906 191 N CB -0.045 37.951 38.487 -0.819 0.000 0.968 191 N HN 0.119 nan 8.380 nan 0.000 0.445 192 L N 3.563 124.649 121.223 -0.228 0.000 2.540 192 L HA 0.063 4.403 4.340 0.000 0.000 0.276 192 L C -1.838 174.939 176.870 -0.155 0.000 1.212 192 L CA -0.581 54.279 54.840 0.032 0.000 0.893 192 L CB -0.399 41.665 42.059 0.009 0.000 1.138 192 L HN -0.033 nan 8.230 nan 0.000 0.491 193 P HA 0.168 nan 4.420 nan 0.000 0.275 193 P C -2.175 174.974 177.300 -0.251 0.000 1.228 193 P CA -1.536 61.391 63.100 -0.290 0.000 0.786 193 P CB 0.209 31.667 31.700 -0.404 0.000 0.927 194 P HA -0.129 nan 4.420 nan 0.000 0.230 194 P C 0.925 178.138 177.300 -0.145 0.000 1.158 194 P CA 1.093 64.100 63.100 -0.155 0.000 0.769 194 P CB -0.206 31.427 31.700 -0.110 0.000 0.807 195 N N 0.257 118.847 118.700 -0.183 0.000 2.459 195 N HA -0.080 4.660 4.740 0.000 0.000 0.181 195 N C 1.548 177.011 175.510 -0.078 0.000 1.046 195 N CA 0.900 53.886 53.050 -0.107 0.000 0.904 195 N CB -0.883 37.526 38.487 -0.130 0.000 0.964 195 N HN 0.280 nan 8.380 nan 0.000 0.444 196 L N -0.476 120.619 121.223 -0.214 0.000 2.526 196 L HA 0.225 4.565 4.340 0.000 0.000 0.210 196 L C 0.733 177.148 176.870 -0.759 0.000 1.048 196 L CA -0.054 54.562 54.840 -0.374 0.000 0.852 196 L CB 0.184 42.072 42.059 -0.285 0.000 1.128 196 L HN 0.102 nan 8.230 nan 0.000 0.482 197 C N 2.334 121.294 119.300 -0.567 0.000 2.262 197 C HA 0.331 4.791 4.460 0.000 0.000 0.413 197 C C 0.544 175.438 174.990 -0.159 0.000 1.019 197 C CA -0.679 58.059 59.018 -0.468 0.000 1.320 197 C CB -2.271 25.314 27.740 -0.257 0.000 1.657 197 C HN 0.407 nan 8.230 nan 0.000 0.510 198 H N 3.117 122.232 119.070 0.075 0.000 2.810 198 H HA 0.613 5.169 4.556 0.000 0.000 0.316 198 H C -2.418 173.020 175.328 0.184 0.000 1.426 198 H CA -2.512 53.599 56.048 0.105 0.000 1.413 198 H CB -0.587 29.214 29.762 0.065 0.000 1.874 198 H HN -0.014 nan 8.280 nan 0.000 0.737 199 P HA -0.063 nan 4.420 nan 0.000 0.217 199 P C 1.187 178.667 177.300 0.301 0.000 1.151 199 P CA 1.813 65.084 63.100 0.284 0.000 0.828 199 P CB 0.095 31.912 31.700 0.195 0.000 0.788 200 S N -0.821 115.085 115.700 0.345 0.000 2.400 200 S HA -0.187 4.283 4.470 0.000 0.000 0.232 200 S C 1.622 176.420 174.600 0.329 0.000 1.025 200 S CA 1.137 59.507 58.200 0.284 0.000 0.993 200 S CB -1.219 62.109 63.200 0.213 0.000 0.808 200 S HN 0.185 nan 8.310 nan 0.000 0.478 201 F N 2.064 122.182 119.950 0.280 0.000 2.206 201 F HA 0.068 4.595 4.527 0.000 0.000 0.298 201 F C 1.726 177.577 175.800 0.085 0.000 1.090 201 F CA 0.978 59.021 58.000 0.072 0.000 1.323 201 F CB -0.308 38.548 39.000 -0.240 0.000 1.028 201 F HN 0.064 nan 8.300 nan 0.000 0.492 202 L N 0.046 121.339 121.223 0.116 0.000 2.131 202 L HA -0.164 4.176 4.340 0.000 0.000 0.210 202 L C 2.780 179.725 176.870 0.126 0.000 1.092 202 L CA 0.958 55.853 54.840 0.092 0.000 0.759 202 L CB -1.039 41.191 42.059 0.284 0.000 0.903 202 L HN 0.306 nan 8.230 nan 0.000 0.435 203 A N -0.097 122.792 122.820 0.114 0.000 1.858 203 A HA -0.187 4.133 4.320 0.000 0.000 0.216 203 A C 2.163 179.782 177.584 0.058 0.000 1.190 203 A CA 1.417 53.518 52.037 0.107 0.000 0.617 203 A CB -0.367 18.694 19.000 0.103 0.000 0.827 203 A HN 0.328 nan 8.150 nan 0.000 0.443 204 E N 0.150 120.342 120.200 -0.013 0.000 2.097 204 E HA -0.221 4.129 4.350 0.000 0.000 0.196 204 E C 2.111 178.645 176.600 -0.111 0.000 1.000 204 E CA 1.272 57.637 56.400 -0.059 0.000 0.804 204 E CB -0.500 29.152 29.700 -0.080 0.000 0.740 204 E HN 0.610 nan 8.360 nan 0.000 0.454 205 Q N 0.039 119.683 119.800 -0.259 0.000 2.135 205 Q HA -0.070 4.271 4.340 0.000 0.000 0.204 205 Q C 2.103 178.153 176.000 0.084 0.000 0.981 205 Q CA 1.446 57.117 55.803 -0.221 0.000 0.856 205 Q CB -0.341 28.102 28.738 -0.492 0.000 0.902 205 Q HN 0.297 nan 8.270 nan 0.000 0.425 206 A N 1.251 124.239 122.820 0.280 0.000 1.897 206 A HA -0.145 4.175 4.320 0.000 0.000 0.215 206 A C 2.083 179.788 177.584 0.202 0.000 1.181 206 A CA 1.171 53.441 52.037 0.387 0.000 0.620 206 A CB -0.259 18.927 19.000 0.311 0.000 0.821 206 A HN 0.211 nan 8.150 nan 0.000 0.443 207 K N -0.051 120.425 120.400 0.126 0.000 2.032 207 K HA -0.200 4.120 4.320 0.000 0.000 0.209 207 K C 1.869 178.522 176.600 0.087 0.000 1.048 207 K CA 1.750 58.093 56.287 0.092 0.000 0.927 207 K CB -0.271 32.267 32.500 0.064 0.000 0.712 207 K HN 0.629 nan 8.250 nan 0.000 0.441 208 E N 0.648 120.889 120.200 0.068 0.000 2.153 208 E HA -0.179 4.171 4.350 0.000 0.000 0.194 208 E C 1.933 178.583 176.600 0.084 0.000 0.988 208 E CA 0.643 57.073 56.400 0.051 0.000 0.811 208 E CB -0.033 29.674 29.700 0.011 0.000 0.746 208 E HN 0.084 nan 8.360 nan 0.000 0.466 209 L N 0.405 121.712 121.223 0.139 0.000 2.217 209 L HA 0.025 4.366 4.340 0.000 0.000 0.211 209 L C 2.076 179.091 176.870 0.241 0.000 1.107 209 L CA 1.423 56.385 54.840 0.202 0.000 0.783 209 L CB -0.513 41.702 42.059 0.260 0.000 0.919 209 L HN 0.063 nan 8.230 nan 0.000 0.442 210 G N -0.726 108.181 108.800 0.178 0.000 2.414 210 G HA2 -0.254 3.707 3.960 0.000 0.000 0.215 210 G HA3 -0.254 3.707 3.960 0.000 0.000 0.215 210 G C 1.662 176.642 174.900 0.132 0.000 1.188 210 G CA 0.662 45.855 45.100 0.156 0.000 0.783 210 G HN 0.358 nan 8.290 nan 0.000 0.537 211 K N 0.671 121.127 120.400 0.093 0.000 2.152 211 K HA 0.020 4.340 4.320 0.000 0.000 0.206 211 K C 2.681 179.294 176.600 0.022 0.000 1.048 211 K CA 0.994 57.313 56.287 0.053 0.000 0.933 211 K CB -0.168 32.354 32.500 0.035 0.000 0.721 211 K HN 0.285 nan 8.250 nan 0.000 0.447 212 A N 0.876 123.707 122.820 0.019 0.000 2.167 212 A HA -0.049 4.271 4.320 0.000 0.000 0.214 212 A C 0.099 177.449 177.584 -0.390 0.000 1.151 212 A CA 0.594 52.539 52.037 -0.154 0.000 0.735 212 A CB -0.111 18.791 19.000 -0.165 0.000 0.802 212 A HN 0.224 nan 8.150 nan 0.000 0.467 213 H N -1.189 117.910 119.070 0.048 0.000 2.782 213 H HA 0.233 4.789 4.556 0.000 0.000 0.347 213 H C -0.042 175.334 175.328 0.081 0.000 1.038 213 H CA -0.592 55.497 56.048 0.069 0.000 1.255 213 H CB 1.612 31.428 29.762 0.090 0.000 1.623 213 H HN 0.182 nan 8.280 nan 0.000 0.525 214 K N 1.743 122.239 120.400 0.160 0.000 2.026 214 K HA -0.037 4.283 4.320 0.000 0.000 0.208 214 K C 1.714 178.382 176.600 0.114 0.000 1.048 214 K CA 1.432 57.784 56.287 0.107 0.000 0.929 214 K CB 0.202 32.747 32.500 0.074 0.000 0.713 214 K HN 0.486 nan 8.250 nan 0.000 0.439 215 A N 0.829 123.737 122.820 0.147 0.000 2.238 215 A HA 0.065 4.385 4.320 0.000 0.000 0.208 215 A C 0.494 178.153 177.584 0.124 0.000 1.177 215 A CA 0.007 52.090 52.037 0.076 0.000 0.804 215 A CB -0.026 18.966 19.000 -0.013 0.000 0.823 215 A HN 0.163 nan 8.150 nan 0.000 0.482 216 L N 0.148 121.502 121.223 0.217 0.000 2.272 216 L HA 0.449 4.789 4.340 0.000 0.000 0.289 216 L C -0.178 176.779 176.870 0.145 0.000 1.032 216 L CA -0.157 54.809 54.840 0.209 0.000 0.810 216 L CB 1.033 43.226 42.059 0.223 0.000 1.205 216 L HN 0.089 nan 8.230 nan 0.000 0.422 217 K N 3.875 124.344 120.400 0.115 0.000 2.207 217 K HA 0.718 5.038 4.320 0.000 0.000 0.255 217 K C -1.710 174.949 176.600 0.097 0.000 0.941 217 K CA -0.736 55.611 56.287 0.099 0.000 0.825 217 K CB 1.905 34.456 32.500 0.084 0.000 1.119 217 K HN 0.469 nan 8.250 nan 0.000 0.430 218 V N 3.209 123.180 119.914 0.094 0.000 2.588 218 V HA 0.340 4.460 4.120 0.000 0.000 0.304 218 V C -0.821 175.325 176.094 0.086 0.000 1.042 218 V CA -0.741 61.613 62.300 0.090 0.000 0.877 218 V CB 1.715 33.597 31.823 0.099 0.000 0.996 218 V HN 0.848 nan 8.190 nan 0.000 0.425 219 E N 3.471 123.723 120.200 0.087 0.000 2.272 219 E HA 0.697 5.047 4.350 0.000 0.000 0.269 219 E C -2.041 174.599 176.600 0.067 0.000 0.877 219 E CA -0.543 55.907 56.400 0.084 0.000 0.755 219 E CB 2.561 32.327 29.700 0.110 0.000 1.192 219 E HN 0.421 nan 8.360 nan 0.000 0.422 220 V N 5.200 125.146 119.914 0.053 0.000 2.378 220 V HA 0.300 4.420 4.120 0.000 0.000 0.288 220 V C -0.675 175.428 176.094 0.016 0.000 1.016 220 V CA -0.721 61.601 62.300 0.037 0.000 0.840 220 V CB 1.197 33.048 31.823 0.047 0.000 0.994 220 V HN 0.610 nan 8.190 nan 0.000 0.431 221 L N 6.287 127.499 121.223 -0.018 0.000 2.257 221 L HA 0.435 4.775 4.340 0.000 0.000 0.290 221 L C 0.498 177.325 176.870 -0.071 0.000 1.044 221 L CA -0.036 54.772 54.840 -0.053 0.000 0.810 221 L CB 0.930 42.917 42.059 -0.120 0.000 1.193 221 L HN 0.783 nan 8.230 nan 0.000 0.425 222 D N 1.387 121.760 120.400 -0.044 0.000 2.425 222 D HA 0.024 4.664 4.640 0.000 0.000 0.274 222 D C 0.850 177.114 176.300 -0.060 0.000 1.242 222 D CA -0.295 53.682 54.000 -0.037 0.000 1.060 222 D CB 0.470 41.267 40.800 -0.004 0.000 1.112 222 D HN 0.501 nan 8.370 nan 0.000 0.561 223 E N -0.609 119.581 120.200 -0.017 0.000 2.031 223 E HA -0.212 4.138 4.350 0.000 0.000 0.193 223 E C 1.835 178.484 176.600 0.082 0.000 0.994 223 E CA 0.909 57.333 56.400 0.040 0.000 0.800 223 E CB 0.056 29.799 29.700 0.072 0.000 0.752 223 E HN 0.370 nan 8.360 nan 0.000 0.447 224 K N 0.713 121.139 120.400 0.044 0.000 2.057 224 K HA -0.215 4.105 4.320 0.000 0.000 0.207 224 K C 2.205 178.789 176.600 -0.028 0.000 1.049 224 K CA 1.381 57.675 56.287 0.010 0.000 0.931 224 K CB -0.071 32.432 32.500 0.007 0.000 0.714 224 K HN -0.141 nan 8.250 nan 0.000 0.440 225 K N 1.427 121.810 120.400 -0.029 0.000 2.032 225 K HA -0.110 4.210 4.320 0.000 0.000 0.209 225 K C 1.906 178.465 176.600 -0.068 0.000 1.048 225 K CA 1.400 57.663 56.287 -0.040 0.000 0.927 225 K CB -0.398 32.082 32.500 -0.034 0.000 0.712 225 K HN 0.154 nan 8.250 nan 0.000 0.441 226 I N 0.815 121.316 120.570 -0.115 0.000 2.127 226 I HA -0.341 3.829 4.170 0.000 0.000 0.241 226 I C 2.557 178.618 176.117 -0.092 0.000 1.075 226 I CA 1.632 62.829 61.300 -0.172 0.000 1.334 226 I CB -0.342 37.447 38.000 -0.351 0.000 1.040 226 I HN 0.252 nan 8.210 nan 0.000 0.405 227 K N 0.800 121.140 120.400 -0.099 0.000 1.991 227 K HA -0.265 4.056 4.320 0.000 0.000 0.212 227 K C 1.775 178.276 176.600 -0.164 0.000 1.049 227 K CA 2.310 58.431 56.287 -0.276 0.000 0.932 227 K CB -0.180 32.028 32.500 -0.486 0.000 0.717 227 K HN 0.199 nan 8.250 nan 0.000 0.441 228 D N 0.788 121.123 120.400 -0.108 0.000 2.182 228 D HA -0.152 4.488 4.640 0.000 0.000 0.201 228 D C 1.598 177.878 176.300 -0.033 0.000 0.986 228 D CA 0.879 54.840 54.000 -0.065 0.000 0.847 228 D CB -0.050 40.725 40.800 -0.041 0.000 0.942 228 D HN 0.267 nan 8.370 nan 0.000 0.467 229 L N -0.529 120.684 121.223 -0.017 0.000 2.650 229 L HA 0.103 4.443 4.340 0.000 0.000 0.235 229 L C 1.371 178.259 176.870 0.030 0.000 1.149 229 L CA 0.397 55.252 54.840 0.025 0.000 0.887 229 L CB -0.474 41.625 42.059 0.067 0.000 1.021 229 L HN 0.144 nan 8.230 nan 0.000 0.441 230 G N 0.245 109.044 108.800 -0.001 0.000 2.153 230 G HA2 -0.329 3.631 3.960 0.000 0.000 0.252 230 G HA3 -0.329 3.631 3.960 0.000 0.000 0.252 230 G C 0.439 175.367 174.900 0.047 0.000 0.994 230 G CA -0.061 45.045 45.100 0.011 0.000 0.698 230 G HN 0.354 nan 8.290 nan 0.000 0.521 231 M N 1.836 121.468 119.600 0.053 0.000 3.596 231 M HA 0.269 4.749 4.480 0.000 0.000 0.212 231 M C 1.986 178.378 176.300 0.154 0.000 1.519 231 M CA 0.602 55.971 55.300 0.115 0.000 1.670 231 M CB -0.065 32.595 32.600 0.100 0.000 1.113 231 M HN 0.259 nan 8.290 nan 0.000 0.565 232 G N 0.687 109.566 108.800 0.132 0.000 2.422 232 G HA2 -0.189 3.772 3.960 0.000 0.000 0.218 232 G HA3 -0.189 3.772 3.960 0.000 0.000 0.218 232 G C 1.487 176.506 174.900 0.197 0.000 1.146 232 G CA 1.085 46.272 45.100 0.145 0.000 0.769 232 G HN 0.673 nan 8.290 nan 0.000 0.547 233 A N 0.098 123.029 122.820 0.186 0.000 1.898 233 A HA 0.228 4.548 4.320 0.000 0.000 0.214 233 A C 2.169 179.877 177.584 0.207 0.000 1.183 233 A CA 1.078 53.215 52.037 0.167 0.000 0.622 233 A CB -0.507 18.568 19.000 0.124 0.000 0.824 233 A HN 0.367 nan 8.150 nan 0.000 0.444 234 F N -1.327 118.663 119.950 0.067 0.000 2.095 234 F HA -0.249 4.278 4.527 0.000 0.000 0.298 234 F C 2.271 178.117 175.800 0.077 0.000 1.104 234 F CA 1.881 59.913 58.000 0.052 0.000 1.232 234 F CB -0.212 38.817 39.000 0.049 0.000 0.987 234 F HN 0.381 nan 8.300 nan 0.000 0.475 235 Y N 0.825 121.274 120.300 0.248 0.000 2.128 235 Y HA -0.269 4.281 4.550 0.000 0.000 0.284 235 Y C 2.365 178.333 175.900 0.113 0.000 1.154 235 Y CA 1.581 59.751 58.100 0.117 0.000 1.149 235 Y CB -0.914 37.572 38.460 0.043 0.000 0.976 235 Y HN 0.105 nan 8.280 nan 0.000 0.505 236 A N -0.844 122.110 122.820 0.223 0.000 1.948 236 A HA -0.199 4.121 4.320 0.000 0.000 0.220 236 A C 2.332 179.928 177.584 0.019 0.000 1.177 236 A CA 2.133 54.243 52.037 0.121 0.000 0.636 236 A CB -1.327 17.755 19.000 0.137 0.000 0.815 236 A HN 0.353 nan 8.150 nan 0.000 0.449 237 V N -0.554 119.381 119.914 0.036 0.000 2.358 237 V HA -0.120 4.000 4.120 0.000 0.000 0.246 237 V C 2.674 178.754 176.094 -0.022 0.000 1.047 237 V CA 1.939 64.242 62.300 0.005 0.000 1.035 237 V CB -1.118 30.707 31.823 0.003 0.000 0.658 237 V HN 0.617 nan 8.190 nan 0.000 0.452 238 G N -0.219 108.560 108.800 -0.035 0.000 2.712 238 G HA2 -0.160 3.800 3.960 0.000 0.000 0.212 238 G HA3 -0.160 3.800 3.960 0.000 0.000 0.212 238 G C 1.402 176.197 174.900 -0.175 0.000 1.142 238 G CA 0.589 45.647 45.100 -0.070 0.000 0.789 238 G HN 0.669 nan 8.290 nan 0.000 0.535 239 Q N 0.022 119.656 119.800 -0.277 0.000 2.291 239 Q HA 0.086 4.426 4.340 0.000 0.000 0.205 239 Q C 2.256 178.176 176.000 -0.132 0.000 0.970 239 Q CA 1.271 56.888 55.803 -0.311 0.000 0.876 239 Q CB -0.447 28.092 28.738 -0.332 0.000 0.935 239 Q HN 0.224 nan 8.270 nan 0.000 0.455 240 G N 0.852 109.602 108.800 -0.083 0.000 2.484 240 G HA2 -0.121 3.839 3.960 0.000 0.000 0.218 240 G HA3 -0.121 3.839 3.960 0.000 0.000 0.218 240 G C 0.507 175.388 174.900 -0.032 0.000 1.130 240 G CA 0.384 45.460 45.100 -0.041 0.000 0.784 240 G HN 0.344 nan 8.290 nan 0.000 0.543 241 S N -0.491 115.186 115.700 -0.040 0.000 2.616 241 S HA 0.304 4.774 4.470 0.000 0.000 0.277 241 S C 0.860 175.438 174.600 -0.037 0.000 1.234 241 S CA -0.590 57.594 58.200 -0.027 0.000 1.028 241 S CB 1.178 64.370 63.200 -0.012 0.000 0.988 241 S HN 0.093 nan 8.310 nan 0.000 0.522 242 D N 1.182 121.561 120.400 -0.035 0.000 2.264 242 D HA 0.010 4.650 4.640 0.000 0.000 0.208 242 D C 0.179 176.442 176.300 -0.060 0.000 0.966 242 D CA 1.054 55.028 54.000 -0.043 0.000 0.864 242 D CB 0.082 40.856 40.800 -0.042 0.000 0.933 242 D HN 0.405 nan 8.370 nan 0.000 0.499 243 Q N 1.281 121.042 119.800 -0.065 0.000 2.349 243 Q HA 0.270 4.610 4.340 0.000 0.000 0.254 243 Q C -2.260 173.711 176.000 -0.047 0.000 0.980 243 Q CA -1.870 53.879 55.803 -0.090 0.000 0.924 243 Q CB 1.317 30.003 28.738 -0.087 0.000 1.209 243 Q HN 0.141 nan 8.270 nan 0.000 0.445 244 P HA 0.281 nan 4.420 nan 0.000 0.276 244 P C -2.495 174.810 177.300 0.008 0.000 1.252 244 P CA -1.558 61.524 63.100 -0.029 0.000 0.802 244 P CB -0.027 31.660 31.700 -0.021 0.000 1.035 245 P HA 0.212 nan 4.420 nan 0.000 0.272 245 P C -0.540 176.779 177.300 0.031 0.000 1.230 245 P CA 0.100 63.246 63.100 0.077 0.000 0.788 245 P CB 0.615 32.366 31.700 0.085 0.000 0.949 246 R N 1.117 121.669 120.500 0.087 0.000 2.621 246 R HA 0.485 4.825 4.340 0.000 0.000 0.284 246 R C -0.951 175.403 176.300 0.089 0.000 0.998 246 R CA -1.078 55.047 56.100 0.041 0.000 0.895 246 R CB 1.431 31.782 30.300 0.085 0.000 1.195 246 R HN 0.408 nan 8.270 nan 0.000 0.450 247 L N 3.951 125.147 121.223 -0.045 0.000 2.272 247 L HA 0.575 4.915 4.340 0.000 0.000 0.289 247 L C -0.821 176.041 176.870 -0.013 0.000 1.032 247 L CA -0.226 54.625 54.840 0.018 0.000 0.810 247 L CB 0.870 42.834 42.059 -0.158 0.000 1.205 247 L HN 0.567 nan 8.230 nan 0.000 0.422 248 I N 5.914 126.493 120.570 0.014 0.000 2.362 248 I HA 0.417 4.587 4.170 0.000 0.000 0.289 248 I C -0.751 175.355 176.117 -0.019 0.000 0.994 248 I CA -0.814 60.484 61.300 -0.004 0.000 1.158 248 I CB 1.806 39.800 38.000 -0.011 0.000 1.315 248 I HN 0.247 nan 8.210 nan 0.000 0.451 249 V N 7.380 127.305 119.914 0.019 0.000 2.370 249 V HA 0.403 4.523 4.120 0.000 0.000 0.283 249 V C -0.398 175.713 176.094 0.028 0.000 1.023 249 V CA -0.551 61.777 62.300 0.048 0.000 0.857 249 V CB 1.386 33.311 31.823 0.171 0.000 0.985 249 V HN 0.360 nan 8.190 nan 0.000 0.443 250 L N 4.785 125.996 121.223 -0.019 0.000 2.316 250 L HA 0.529 4.869 4.340 0.000 0.000 0.280 250 L C -0.030 176.841 176.870 0.003 0.000 1.006 250 L CA -0.206 54.634 54.840 -0.001 0.000 0.836 250 L CB 1.271 43.307 42.059 -0.038 0.000 1.221 250 L HN 0.525 nan 8.230 nan 0.000 0.418 251 N N 2.675 121.403 118.700 0.047 0.000 2.511 251 N HA 0.154 4.895 4.740 0.000 0.000 0.249 251 N C -1.614 173.964 175.510 0.113 0.000 0.971 251 N CA -0.389 52.687 53.050 0.044 0.000 0.938 251 N CB 0.777 39.297 38.487 0.055 0.000 1.131 251 N HN 0.457 nan 8.380 nan 0.000 0.505 252 Y N 2.994 123.289 120.300 -0.008 0.000 2.353 252 Y HA 0.345 4.896 4.550 0.000 0.000 0.340 252 Y C -0.562 175.352 175.900 0.024 0.000 0.972 252 Y CA -0.539 57.568 58.100 0.011 0.000 1.157 252 Y CB 0.865 39.324 38.460 -0.001 0.000 1.157 252 Y HN 0.296 nan 8.280 nan 0.000 0.495 253 Q N 5.258 124.766 119.800 -0.487 0.000 2.465 253 Q HA 0.341 4.681 4.340 0.000 0.000 0.237 253 Q C 0.274 175.852 176.000 -0.703 0.000 1.051 253 Q CA 0.140 55.688 55.803 -0.426 0.000 0.874 253 Q CB 1.411 30.035 28.738 -0.190 0.000 1.207 253 Q HN 1.106 nan 8.270 nan 0.000 0.508 254 G N 0.994 109.386 108.800 -0.680 0.000 2.692 254 G HA2 0.206 4.166 3.960 0.000 0.000 0.201 254 G HA3 0.206 4.166 3.960 0.000 0.000 0.201 254 G C 0.558 175.395 174.900 -0.104 0.000 1.063 254 G CA 0.412 45.225 45.100 -0.478 0.000 0.790 254 G HN 0.575 nan 8.290 nan 0.000 0.599 255 G N 0.180 108.950 108.800 -0.049 0.000 2.583 255 G HA2 0.475 4.435 3.960 0.000 0.000 0.280 255 G HA3 0.475 4.435 3.960 0.000 0.000 0.280 255 G C -0.433 174.463 174.900 -0.007 0.000 1.376 255 G CA -0.774 44.332 45.100 0.010 0.000 1.043 255 G HN 0.182 nan 8.290 nan 0.000 0.538 256 K N 0.170 120.575 120.400 0.010 0.000 2.448 256 K HA 0.017 4.338 4.320 0.000 0.000 0.278 256 K C 1.267 177.866 176.600 -0.001 0.000 1.009 256 K CA -0.004 56.285 56.287 0.004 0.000 0.995 256 K CB 1.300 33.806 32.500 0.010 0.000 0.917 256 K HN 0.553 nan 8.250 nan 0.000 0.481 257 K N 2.248 122.645 120.400 -0.005 0.000 2.218 257 K HA -0.191 4.129 4.320 0.000 0.000 0.205 257 K C 1.164 177.765 176.600 0.001 0.000 1.046 257 K CA 1.631 57.915 56.287 -0.005 0.000 0.933 257 K CB 0.038 32.535 32.500 -0.004 0.000 0.728 257 K HN 0.682 nan 8.250 nan 0.000 0.454 258 A N 0.921 123.742 122.820 0.002 0.000 2.379 258 A HA 0.077 4.397 4.320 0.000 0.000 0.236 258 A C -0.759 176.824 177.584 -0.001 0.000 1.272 258 A CA -0.219 51.819 52.037 0.002 0.000 0.886 258 A CB 0.124 19.125 19.000 0.002 0.000 0.962 258 A HN 0.183 nan 8.150 nan 0.000 0.504 259 D N 1.483 121.884 120.400 0.001 0.000 2.295 259 D HA 0.256 4.897 4.640 0.000 0.000 0.248 259 D C -0.224 176.060 176.300 -0.026 0.000 1.154 259 D CA 0.100 54.096 54.000 -0.005 0.000 0.857 259 D CB 0.930 41.743 40.800 0.021 0.000 1.117 259 D HN 0.200 nan 8.370 nan 0.000 0.468 260 K N 3.624 123.987 120.400 -0.062 0.000 2.489 260 K HA 0.083 4.403 4.320 0.000 0.000 0.278 260 K C -2.015 174.483 176.600 -0.169 0.000 1.000 260 K CA -0.774 55.457 56.287 -0.094 0.000 1.012 260 K CB 0.148 32.578 32.500 -0.117 0.000 0.903 260 K HN 0.262 nan 8.250 nan 0.000 0.485 261 P HA 0.010 nan 4.420 nan 0.000 0.272 261 P C -0.780 176.369 177.300 -0.251 0.000 1.240 261 P CA -0.000 63.051 63.100 -0.081 0.000 0.791 261 P CB 0.443 32.142 31.700 -0.002 0.000 0.978 262 F N -0.330 119.641 119.950 0.035 0.000 2.404 262 F HA 0.304 4.831 4.527 0.000 0.000 0.339 262 F C 0.568 176.362 175.800 -0.009 0.000 1.105 262 F CA -0.561 57.468 58.000 0.049 0.000 1.087 262 F CB 1.192 40.261 39.000 0.115 0.000 1.143 262 F HN -0.074 nan 8.300 nan 0.000 0.491 263 V N 5.179 125.163 119.914 0.117 0.000 2.384 263 V HA 0.368 4.489 4.120 0.000 0.000 0.287 263 V C -0.209 175.914 176.094 0.048 0.000 1.020 263 V CA -0.754 61.555 62.300 0.014 0.000 0.850 263 V CB 1.571 33.355 31.823 -0.064 0.000 0.987 263 V HN 0.538 nan 8.190 nan 0.000 0.436 264 L N 5.642 126.879 121.223 0.024 0.000 2.296 264 L HA 0.634 4.975 4.340 0.000 0.000 0.286 264 L C -0.684 176.191 176.870 0.008 0.000 1.023 264 L CA -0.685 54.164 54.840 0.014 0.000 0.812 264 L CB 1.911 43.968 42.059 -0.004 0.000 1.223 264 L HN 0.346 nan 8.230 nan 0.000 0.421 265 V N 2.285 122.222 119.914 0.040 0.000 2.409 265 V HA 0.621 4.741 4.120 0.000 0.000 0.291 265 V C 0.375 176.492 176.094 0.038 0.000 1.020 265 V CA -0.491 61.842 62.300 0.054 0.000 0.848 265 V CB 1.615 33.509 31.823 0.118 0.000 0.990 265 V HN 0.864 nan 8.190 nan 0.000 0.430 266 G N 3.104 111.905 108.800 0.001 0.000 2.478 266 G HA2 0.499 4.459 3.960 0.000 0.000 0.317 266 G HA3 0.499 4.459 3.960 0.000 0.000 0.317 266 G C -0.629 174.262 174.900 -0.016 0.000 1.259 266 G CA -0.753 44.342 45.100 -0.008 0.000 0.933 266 G HN 0.676 nan 8.290 nan 0.000 0.478 267 K N 1.475 121.872 120.400 -0.005 0.000 2.436 267 K HA 0.325 4.645 4.320 0.000 0.000 0.282 267 K C 0.737 177.325 176.600 -0.020 0.000 1.044 267 K CA 0.128 56.397 56.287 -0.030 0.000 1.028 267 K CB 0.338 32.834 32.500 -0.008 0.000 0.919 267 K HN 0.452 nan 8.250 nan 0.000 0.474 268 G N 6.225 115.004 108.800 -0.035 0.000 4.959 268 G HA2 0.228 4.189 3.960 0.000 0.000 0.297 268 G HA3 0.228 4.189 3.960 0.000 0.000 0.297 268 G C -0.324 174.580 174.900 0.006 0.000 1.351 268 G CA -0.493 44.612 45.100 0.009 0.000 1.016 268 G HN 0.521 nan 8.290 nan 0.000 0.592 269 I N 3.056 123.611 120.570 -0.025 0.000 2.329 269 I HA 0.076 4.246 4.170 0.000 0.000 0.295 269 I C 1.816 177.922 176.117 -0.018 0.000 1.109 269 I CA 0.114 61.396 61.300 -0.030 0.000 1.297 269 I CB 0.129 38.087 38.000 -0.071 0.000 1.433 269 I HN 0.280 nan 8.210 nan 0.000 0.509 270 T N 2.925 117.501 114.554 0.037 0.000 2.985 270 T HA -0.004 4.346 4.350 0.000 0.000 0.266 270 T C 0.317 175.081 174.700 0.106 0.000 1.076 270 T CA 0.657 62.793 62.100 0.060 0.000 1.135 270 T CB 0.042 68.976 68.868 0.110 0.000 0.890 270 T HN 0.282 nan 8.240 nan 0.000 0.480 271 F N 0.988 120.902 119.950 -0.061 0.000 2.596 271 F HA 0.508 5.035 4.527 0.000 0.000 0.311 271 F C -2.058 173.702 175.800 -0.066 0.000 1.116 271 F CA -1.711 56.236 58.000 -0.088 0.000 0.957 271 F CB 2.177 41.124 39.000 -0.088 0.000 1.250 271 F HN -0.165 nan 8.300 nan 0.000 0.444 272 D N 2.604 122.510 120.400 -0.822 0.000 2.464 272 D HA 0.199 4.839 4.640 0.000 0.000 0.243 272 D C 0.799 176.801 176.300 -0.497 0.000 1.104 272 D CA -0.014 53.704 54.000 -0.470 0.000 0.883 272 D CB 1.330 41.919 40.800 -0.352 0.000 1.050 272 D HN 0.604 nan 8.370 nan 0.000 0.524 273 T N 0.319 114.797 114.554 -0.126 0.000 3.113 273 T HA 0.242 4.592 4.350 0.000 0.000 0.256 273 T C 1.558 176.241 174.700 -0.028 0.000 1.131 273 T CA 0.653 62.763 62.100 0.016 0.000 1.074 273 T CB 0.097 69.045 68.868 0.134 0.000 0.944 273 T HN 0.517 nan 8.240 nan 0.000 0.516 274 G N 0.756 109.517 108.800 -0.064 0.000 2.320 274 G HA2 0.097 4.057 3.960 0.000 0.000 0.242 274 G HA3 0.097 4.057 3.960 0.000 0.000 0.242 274 G C 1.159 176.045 174.900 -0.023 0.000 1.033 274 G CA 0.390 45.464 45.100 -0.043 0.000 0.620 274 G HN 1.826 nan 8.290 nan 0.000 0.517 275 G N 0.046 108.842 108.800 -0.006 0.000 2.512 275 G HA2 -0.074 3.886 3.960 0.000 0.000 0.240 275 G HA3 -0.074 3.886 3.960 0.000 0.000 0.240 275 G C 0.778 175.679 174.900 0.003 0.000 1.246 275 G CA 0.401 45.501 45.100 -0.000 0.000 0.919 275 G HN 0.986 nan 8.290 nan 0.000 0.577 276 I N 1.446 122.016 120.570 0.001 0.000 2.454 276 I HA -0.042 4.128 4.170 0.000 0.000 0.254 276 I C 2.117 178.236 176.117 0.003 0.000 1.156 276 I CA 1.915 63.217 61.300 0.004 0.000 1.433 276 I CB -1.348 36.654 38.000 0.004 0.000 1.082 276 I HN 0.338 nan 8.210 nan 0.000 0.432 277 S N 2.458 118.157 115.700 -0.001 0.000 4.120 277 S HA 0.177 4.647 4.470 0.000 0.000 0.196 277 S C 0.228 174.826 174.600 -0.004 0.000 1.447 277 S CA -0.419 57.780 58.200 -0.003 0.000 0.939 277 S CB -0.718 62.478 63.200 -0.008 0.000 1.496 277 S HN 0.134 nan 8.310 nan 0.000 0.460 278 L N 3.091 124.315 121.223 0.002 0.000 2.499 278 L HA 0.134 4.474 4.340 0.000 0.000 0.273 278 L C 0.361 177.233 176.870 0.004 0.000 1.195 278 L CA 0.450 55.293 54.840 0.006 0.000 0.882 278 L CB 0.302 42.369 42.059 0.012 0.000 1.133 278 L HN 0.296 nan 8.230 nan 0.000 0.483 279 K N 5.810 126.210 120.400 0.001 0.000 2.276 279 K HA 0.253 4.573 4.320 0.000 0.000 0.259 279 K C -2.088 174.520 176.600 0.013 0.000 1.001 279 K CA -1.399 54.888 56.287 0.001 0.000 0.927 279 K CB -0.273 32.219 32.500 -0.012 0.000 0.969 279 K HN 0.529 nan 8.250 nan 0.000 0.490 280 P HA -0.044 nan 4.420 nan 0.000 0.270 280 P C 0.616 177.931 177.300 0.025 0.000 1.223 280 P CA -0.139 62.971 63.100 0.017 0.000 0.785 280 P CB 0.508 32.218 31.700 0.015 0.000 0.923 281 G N 1.304 110.119 108.800 0.025 0.000 2.418 281 G HA2 -0.120 3.840 3.960 0.000 0.000 0.217 281 G HA3 -0.120 3.840 3.960 0.000 0.000 0.217 281 G C 0.630 175.550 174.900 0.034 0.000 1.158 281 G CA 0.625 45.743 45.100 0.030 0.000 0.771 281 G HN 0.835 nan 8.290 nan 0.000 0.545 282 A N 0.187 123.024 122.820 0.029 0.000 2.553 282 A HA 0.449 4.769 4.320 0.000 0.000 0.258 282 A C 1.764 179.373 177.584 0.042 0.000 1.069 282 A CA 1.027 53.083 52.037 0.032 0.000 0.767 282 A CB -0.759 18.257 19.000 0.027 0.000 0.997 282 A HN 1.881 nan 8.150 nan 0.000 0.512 283 G N 2.257 111.086 108.800 0.048 0.000 2.166 283 G HA2 -0.353 3.607 3.960 0.000 0.000 0.260 283 G HA3 -0.353 3.607 3.960 0.000 0.000 0.260 283 G C 0.851 175.789 174.900 0.064 0.000 0.986 283 G CA 0.735 45.873 45.100 0.064 0.000 0.683 283 G HN 0.929 nan 8.290 nan 0.000 0.527 284 M N 0.766 120.405 119.600 0.065 0.000 2.446 284 M HA -0.082 4.398 4.480 0.000 0.000 0.263 284 M C 2.378 178.773 176.300 0.159 0.000 1.066 284 M CA 2.387 57.739 55.300 0.086 0.000 1.087 284 M CB -0.268 32.405 32.600 0.121 0.000 1.406 284 M HN 0.453 nan 8.290 nan 0.000 0.459 285 D N -0.175 120.299 120.400 0.123 0.000 2.265 285 D HA -0.235 4.405 4.640 0.000 0.000 0.208 285 D C 1.137 177.450 176.300 0.022 0.000 0.977 285 D CA 1.368 55.433 54.000 0.109 0.000 0.871 285 D CB -0.806 40.005 40.800 0.018 0.000 0.925 285 D HN 0.517 nan 8.370 nan 0.000 0.485 286 E N -0.846 119.330 120.200 -0.039 0.000 2.478 286 E HA -0.010 4.340 4.350 0.000 0.000 0.198 286 E C 1.391 177.736 176.600 -0.425 0.000 1.046 286 E CA 0.178 56.472 56.400 -0.177 0.000 0.870 286 E CB -0.045 29.650 29.700 -0.008 0.000 0.818 286 E HN 0.240 nan 8.360 nan 0.000 0.527 287 M N 0.716 120.091 119.600 -0.375 0.000 2.618 287 M HA -0.045 4.435 4.480 0.000 0.000 0.240 287 M C 1.728 177.670 176.300 -0.596 0.000 1.123 287 M CA 0.944 55.886 55.300 -0.596 0.000 1.060 287 M CB -0.413 31.646 32.600 -0.901 0.000 1.535 287 M HN 0.052 nan 8.290 nan 0.000 0.507 288 K N -0.932 119.252 120.400 -0.360 0.000 2.365 288 K HA -0.128 4.192 4.320 0.000 0.000 0.199 288 K C 0.724 177.046 176.600 -0.463 0.000 1.045 288 K CA 1.185 57.307 56.287 -0.275 0.000 0.962 288 K CB -0.390 31.910 32.500 -0.333 0.000 0.759 288 K HN 0.189 nan 8.250 nan 0.000 0.469 289 Y N 1.339 121.361 120.300 -0.463 0.000 2.471 289 Y HA 0.073 4.623 4.550 0.000 0.000 0.286 289 Y C 0.863 176.550 175.900 -0.355 0.000 1.188 289 Y CA -0.183 57.607 58.100 -0.517 0.000 1.286 289 Y CB -0.023 37.786 38.460 -1.085 0.000 1.072 289 Y HN 0.163 nan 8.280 nan 0.000 0.517 290 D N 0.084 120.369 120.400 -0.192 0.000 2.349 290 D HA -0.026 4.614 4.640 0.000 0.000 0.224 290 D C 1.254 177.536 176.300 -0.031 0.000 1.029 290 D CA 0.513 54.459 54.000 -0.090 0.000 0.879 290 D CB 0.108 40.807 40.800 -0.167 0.000 0.906 290 D HN 0.318 nan 8.370 nan 0.000 0.528 291 M N -2.445 117.142 119.600 -0.022 0.000 2.404 291 M HA 0.299 4.779 4.480 0.000 0.000 0.271 291 M C 1.316 177.643 176.300 0.044 0.000 1.128 291 M CA -0.202 55.106 55.300 0.013 0.000 0.982 291 M CB -0.709 31.904 32.600 0.022 0.000 1.445 291 M HN -0.173 nan 8.290 nan 0.000 0.495 292 C N 1.480 120.824 119.300 0.073 0.000 2.409 292 C HA 0.029 4.489 4.460 0.000 0.000 0.284 292 C C 2.705 177.732 174.990 0.061 0.000 1.354 292 C CA 1.319 60.393 59.018 0.094 0.000 1.787 292 C CB -1.724 26.119 27.740 0.171 0.000 1.900 292 C HN 0.849 nan 8.230 nan 0.000 0.520 293 G N 0.381 109.211 108.800 0.050 0.000 2.424 293 G HA2 0.017 3.977 3.960 0.000 0.000 0.214 293 G HA3 0.017 3.977 3.960 0.000 0.000 0.214 293 G C 1.905 176.812 174.900 0.012 0.000 1.202 293 G CA 0.902 46.017 45.100 0.026 0.000 0.793 293 G HN 0.563 nan 8.290 nan 0.000 0.534 294 A N 1.344 124.172 122.820 0.014 0.000 1.883 294 A HA 0.143 4.463 4.320 0.000 0.000 0.217 294 A C 2.835 180.448 177.584 0.048 0.000 1.186 294 A CA 2.627 54.663 52.037 -0.001 0.000 0.624 294 A CB -0.981 18.034 19.000 0.025 0.000 0.822 294 A HN 0.910 nan 8.150 nan 0.000 0.444 295 A N 0.164 123.031 122.820 0.079 0.000 1.940 295 A HA -0.138 4.182 4.320 0.000 0.000 0.219 295 A C 2.498 180.106 177.584 0.040 0.000 1.176 295 A CA 2.549 54.627 52.037 0.068 0.000 0.631 295 A CB -0.967 18.039 19.000 0.010 0.000 0.814 295 A HN 1.134 nan 8.150 nan 0.000 0.446 296 S N -0.881 114.834 115.700 0.025 0.000 2.461 296 S HA -0.018 4.452 4.470 0.000 0.000 0.228 296 S C 1.650 176.263 174.600 0.021 0.000 1.005 296 S CA 1.090 59.300 58.200 0.017 0.000 0.942 296 S CB -0.452 62.748 63.200 -0.000 0.000 0.776 296 S HN 0.224 nan 8.310 nan 0.000 0.514 297 V N 0.852 120.768 119.914 0.003 0.000 2.323 297 V HA -0.009 4.112 4.120 0.000 0.000 0.244 297 V C 2.102 178.198 176.094 0.005 0.000 1.041 297 V CA 1.680 63.962 62.300 -0.031 0.000 1.025 297 V CB -1.062 30.706 31.823 -0.091 0.000 0.656 297 V HN 0.486 nan 8.190 nan 0.000 0.451 298 F N 1.327 121.252 119.950 -0.042 0.000 2.111 298 F HA -0.272 4.255 4.527 0.000 0.000 0.300 298 F C 2.353 178.216 175.800 0.106 0.000 1.088 298 F CA 1.628 59.615 58.000 -0.022 0.000 1.243 298 F CB -0.568 38.246 39.000 -0.310 0.000 0.996 298 F HN 0.279 nan 8.300 nan 0.000 0.483 299 G N -1.574 107.371 108.800 0.243 0.000 2.396 299 G HA2 -0.158 3.802 3.960 0.000 0.000 0.214 299 G HA3 -0.158 3.802 3.960 0.000 0.000 0.214 299 G C 1.573 176.558 174.900 0.142 0.000 1.166 299 G CA 1.142 46.382 45.100 0.232 0.000 0.793 299 G HN 0.267 nan 8.290 nan 0.000 0.533 300 T N 1.370 115.970 114.554 0.077 0.000 2.746 300 T HA -0.124 4.226 4.350 0.000 0.000 0.267 300 T C 2.232 176.929 174.700 -0.004 0.000 1.039 300 T CA 1.189 63.304 62.100 0.024 0.000 1.142 300 T CB -0.213 68.657 68.868 0.003 0.000 0.866 300 T HN 0.138 nan 8.240 nan 0.000 0.444 301 L N 1.539 122.770 121.223 0.013 0.000 1.994 301 L HA 0.046 4.386 4.340 0.000 0.000 0.208 301 L C 2.485 179.313 176.870 -0.071 0.000 1.071 301 L CA 1.788 56.600 54.840 -0.048 0.000 0.745 301 L CB -0.653 41.405 42.059 -0.001 0.000 0.892 301 L HN 0.041 nan 8.230 nan 0.000 0.431 302 R N -0.648 119.888 120.500 0.061 0.000 2.105 302 R HA -0.186 4.154 4.340 0.000 0.000 0.239 302 R C 2.094 178.363 176.300 -0.051 0.000 1.135 302 R CA 1.442 57.540 56.100 -0.003 0.000 0.967 302 R CB -0.348 29.997 30.300 0.074 0.000 0.861 302 R HN 0.573 nan 8.270 nan 0.000 0.442 303 A N -0.060 122.749 122.820 -0.018 0.000 1.898 303 A HA -0.073 4.247 4.320 0.000 0.000 0.216 303 A C 2.231 179.772 177.584 -0.071 0.000 1.181 303 A CA 1.333 53.358 52.037 -0.021 0.000 0.620 303 A CB -0.445 18.555 19.000 0.001 0.000 0.819 303 A HN 0.209 nan 8.150 nan 0.000 0.442 304 V N 0.294 120.127 119.914 -0.135 0.000 2.343 304 V HA -0.256 3.864 4.120 0.000 0.000 0.247 304 V C 2.559 178.462 176.094 -0.317 0.000 1.051 304 V CA 1.931 64.097 62.300 -0.223 0.000 1.036 304 V CB -0.766 30.880 31.823 -0.294 0.000 0.654 304 V HN 0.568 nan 8.190 nan 0.000 0.451 305 L N -0.161 120.838 121.223 -0.373 0.000 2.127 305 L HA -0.226 4.114 4.340 0.000 0.000 0.211 305 L C 2.562 179.373 176.870 -0.099 0.000 1.089 305 L CA 1.972 56.602 54.840 -0.350 0.000 0.757 305 L CB -0.518 41.205 42.059 -0.559 0.000 0.899 305 L HN 0.451 nan 8.230 nan 0.000 0.434 306 E N 0.429 120.596 120.200 -0.055 0.000 2.152 306 E HA -0.165 4.185 4.350 0.000 0.000 0.192 306 E C 2.185 178.807 176.600 0.036 0.000 0.983 306 E CA 0.701 57.115 56.400 0.023 0.000 0.818 306 E CB 0.141 29.857 29.700 0.027 0.000 0.758 306 E HN 0.500 nan 8.360 nan 0.000 0.467 307 L N 0.114 121.345 121.223 0.012 0.000 2.529 307 L HA 0.081 4.421 4.340 0.000 0.000 0.223 307 L C 0.345 177.251 176.870 0.060 0.000 1.113 307 L CA 0.163 55.031 54.840 0.047 0.000 0.861 307 L CB 0.085 42.163 42.059 0.032 0.000 1.012 307 L HN 0.113 nan 8.230 nan 0.000 0.461 308 Q N 0.981 120.814 119.800 0.056 0.000 2.439 308 Q HA -0.190 4.150 4.340 0.000 0.000 0.325 308 Q C -0.364 175.727 176.000 0.152 0.000 1.372 308 Q CA 0.273 56.160 55.803 0.139 0.000 0.909 308 Q CB -1.512 27.308 28.738 0.137 0.000 1.167 308 Q HN 0.407 nan 8.270 nan 0.000 0.418 309 L N 1.948 123.239 121.223 0.112 0.000 2.499 309 L HA 0.066 4.406 4.340 0.000 0.000 0.273 309 L C -1.192 175.795 176.870 0.195 0.000 1.195 309 L CA -1.066 53.835 54.840 0.102 0.000 0.882 309 L CB 0.134 42.205 42.059 0.019 0.000 1.133 309 L HN 0.106 nan 8.230 nan 0.000 0.483 310 P HA 0.103 nan 4.420 nan 0.000 0.225 310 P C -0.662 176.697 177.300 0.098 0.000 1.813 310 P CA 0.058 63.215 63.100 0.094 0.000 1.013 310 P CB -0.030 31.704 31.700 0.057 0.000 1.961 311 V N -0.493 119.517 119.914 0.160 0.000 3.102 311 V HA 0.577 4.697 4.120 0.000 0.000 0.312 311 V C -0.569 175.644 176.094 0.197 0.000 1.135 311 V CA -1.484 60.930 62.300 0.190 0.000 1.022 311 V CB 2.153 34.082 31.823 0.177 0.000 1.056 311 V HN 0.007 nan 8.190 nan 0.000 0.436 312 N N 1.573 120.396 118.700 0.205 0.000 2.421 312 N HA 0.714 5.454 4.740 0.000 0.000 0.285 312 N C -1.246 174.418 175.510 0.256 0.000 1.027 312 N CA -0.411 52.729 53.050 0.149 0.000 0.918 312 N CB 1.797 40.322 38.487 0.062 0.000 1.152 312 N HN 0.729 nan 8.380 nan 0.000 0.485 313 L N 3.248 124.615 121.223 0.240 0.000 2.446 313 L HA 0.456 4.796 4.340 0.000 0.000 0.268 313 L C -1.569 175.352 176.870 0.085 0.000 0.975 313 L CA -0.698 54.271 54.840 0.215 0.000 0.848 313 L CB 1.532 43.732 42.059 0.236 0.000 1.225 313 L HN 0.260 nan 8.230 nan 0.000 0.410 314 V N 4.328 124.216 119.914 -0.043 0.000 2.370 314 V HA 0.415 4.535 4.120 0.000 0.000 0.279 314 V C -0.224 175.774 176.094 -0.160 0.000 1.029 314 V CA -0.428 61.742 62.300 -0.217 0.000 0.870 314 V CB 1.335 32.770 31.823 -0.646 0.000 0.984 314 V HN 0.848 nan 8.190 nan 0.000 0.451 315 C N 6.687 125.912 119.300 -0.125 0.000 2.303 315 C HA 0.645 5.105 4.460 0.000 0.000 0.326 315 C C 0.044 174.972 174.990 -0.104 0.000 1.285 315 C CA -0.765 58.188 59.018 -0.108 0.000 1.675 315 C CB 0.070 27.735 27.740 -0.124 0.000 2.289 315 C HN 0.721 nan 8.230 nan 0.000 0.512 316 L N 4.936 126.120 121.223 -0.065 0.000 2.319 316 L HA 0.584 4.925 4.340 0.000 0.000 0.281 316 L C -0.726 176.124 176.870 -0.033 0.000 1.005 316 L CA -0.291 54.541 54.840 -0.013 0.000 0.828 316 L CB 0.910 43.018 42.059 0.081 0.000 1.227 316 L HN 0.511 nan 8.230 nan 0.000 0.415 317 L N 3.510 124.705 121.223 -0.047 0.000 2.319 317 L HA 0.669 5.009 4.340 0.000 0.000 0.281 317 L C 0.188 177.088 176.870 0.049 0.000 1.005 317 L CA -0.544 54.266 54.840 -0.049 0.000 0.828 317 L CB 1.794 43.767 42.059 -0.142 0.000 1.227 317 L HN 0.642 nan 8.230 nan 0.000 0.415 318 A N 3.030 125.861 122.820 0.018 0.000 2.444 318 A HA 0.543 4.863 4.320 0.000 0.000 0.332 318 A C -0.376 177.177 177.584 -0.051 0.000 1.430 318 A CA -0.321 51.697 52.037 -0.032 0.000 0.975 318 A CB 0.003 18.794 19.000 -0.348 0.000 1.147 318 A HN 0.768 nan 8.150 nan 0.000 0.524 319 C N 2.512 121.942 119.300 0.216 0.000 2.281 319 C HA 0.870 5.331 4.460 0.000 0.000 0.325 319 C C 0.730 175.859 174.990 0.232 0.000 1.282 319 C CA 0.027 59.149 59.018 0.173 0.000 1.640 319 C CB -0.113 27.738 27.740 0.184 0.000 2.288 319 C HN 1.018 nan 8.230 nan 0.000 0.507 320 A N 2.882 125.777 122.820 0.124 0.000 2.609 320 A HA 0.827 5.148 4.320 0.000 0.000 0.291 320 A C -1.405 176.224 177.584 0.075 0.000 1.096 320 A CA -0.454 51.656 52.037 0.121 0.000 0.684 320 A CB 1.237 20.302 19.000 0.109 0.000 1.282 320 A HN 0.769 nan 8.150 nan 0.000 0.412 321 E N 0.775 121.015 120.200 0.068 0.000 2.191 321 E HA 0.327 4.677 4.350 0.000 0.000 0.263 321 E C -1.414 175.213 176.600 0.045 0.000 0.881 321 E CA -0.595 55.849 56.400 0.072 0.000 0.757 321 E CB 1.097 30.851 29.700 0.090 0.000 1.147 321 E HN 0.543 nan 8.360 nan 0.000 0.414 322 N N 5.311 124.034 118.700 0.038 0.000 2.527 322 N HA 0.205 4.945 4.740 0.000 0.000 0.236 322 N C -1.179 174.357 175.510 0.044 0.000 0.999 322 N CA -0.139 52.919 53.050 0.013 0.000 0.935 322 N CB 0.390 38.860 38.487 -0.027 0.000 1.132 322 N HN 0.429 nan 8.380 nan 0.000 0.511 323 M N 3.339 122.959 119.600 0.033 0.000 2.535 323 M HA 0.512 4.992 4.480 0.000 0.000 0.314 323 M C -2.435 173.875 176.300 0.017 0.000 1.153 323 M CA -2.251 53.072 55.300 0.039 0.000 0.924 323 M CB 1.693 34.309 32.600 0.027 0.000 1.710 323 M HN 0.292 nan 8.290 nan 0.000 0.451 324 P HA 0.489 nan 4.420 nan 0.000 0.282 324 P C -0.916 176.387 177.300 0.004 0.000 1.249 324 P CA -0.125 62.981 63.100 0.009 0.000 0.806 324 P CB 1.378 33.085 31.700 0.012 0.000 0.984 325 S N -0.113 115.587 115.700 0.001 0.000 2.660 325 S HA 0.409 4.879 4.470 0.000 0.000 0.264 325 S C 1.055 175.655 174.600 -0.000 0.000 1.131 325 S CA -0.183 58.016 58.200 -0.002 0.000 0.846 325 S CB 0.084 63.280 63.200 -0.005 0.000 1.151 325 S HN 0.418 nan 8.310 nan 0.000 0.486 326 G N -0.164 108.636 108.800 -0.000 0.000 2.509 326 G HA2 0.340 4.300 3.960 0.000 0.000 0.218 326 G HA3 0.340 4.300 3.960 0.000 0.000 0.218 326 G C 0.878 175.781 174.900 0.005 0.000 1.124 326 G CA 0.602 45.704 45.100 0.002 0.000 0.776 326 G HN 1.509 nan 8.290 nan 0.000 0.547 327 G N -0.538 108.265 108.800 0.004 0.000 3.863 327 G HA2 0.545 4.505 3.960 0.000 0.000 0.290 327 G HA3 0.545 4.505 3.960 0.000 0.000 0.290 327 G C 0.442 175.345 174.900 0.004 0.000 1.018 327 G CA 0.591 45.696 45.100 0.009 0.000 0.824 327 G HN 0.559 nan 8.290 nan 0.000 0.507 328 A N 0.181 123.002 122.820 0.001 0.000 2.313 328 A HA 0.634 4.954 4.320 0.000 0.000 0.261 328 A C 0.788 178.375 177.584 0.006 0.000 1.090 328 A CA -0.042 51.993 52.037 -0.004 0.000 0.807 328 A CB 0.158 19.156 19.000 -0.003 0.000 1.055 328 A HN 0.157 nan 8.150 nan 0.000 0.492 329 T N 1.668 116.226 114.554 0.006 0.000 2.934 329 T HA 0.242 4.592 4.350 0.000 0.000 0.306 329 T C 0.402 175.110 174.700 0.014 0.000 1.042 329 T CA 0.674 62.784 62.100 0.017 0.000 1.145 329 T CB -0.060 68.820 68.868 0.021 0.000 0.982 329 T HN 0.570 nan 8.240 nan 0.000 0.544 330 R N 3.481 123.991 120.500 0.017 0.000 2.474 330 R HA 0.372 4.712 4.340 0.000 0.000 0.295 330 R C -2.579 173.730 176.300 0.015 0.000 0.980 330 R CA -2.112 53.996 56.100 0.013 0.000 0.934 330 R CB 0.530 30.836 30.300 0.010 0.000 1.101 330 R HN 0.348 nan 8.270 nan 0.000 0.469 331 P HA -0.049 nan 4.420 nan 0.000 0.262 331 P C 0.541 177.854 177.300 0.021 0.000 1.182 331 P CA 1.116 64.227 63.100 0.018 0.000 0.761 331 P CB 0.609 32.319 31.700 0.017 0.000 0.795 332 G N 2.102 110.921 108.800 0.032 0.000 2.217 332 G HA2 -0.202 3.758 3.960 0.000 0.000 0.246 332 G HA3 -0.202 3.758 3.960 0.000 0.000 0.246 332 G C 0.018 174.927 174.900 0.015 0.000 0.990 332 G CA -0.288 44.828 45.100 0.027 0.000 0.627 332 G HN 0.497 nan 8.290 nan 0.000 0.522 333 D N 0.540 120.953 120.400 0.023 0.000 2.449 333 D HA 0.413 5.053 4.640 0.000 0.000 0.236 333 D C 0.845 177.175 176.300 0.049 0.000 1.149 333 D CA 0.578 54.596 54.000 0.029 0.000 0.878 333 D CB 0.668 41.492 40.800 0.041 0.000 1.198 333 D HN 0.417 nan 8.370 nan 0.000 0.446 334 I N 1.569 122.168 120.570 0.048 0.000 2.433 334 I HA 0.307 4.477 4.170 0.000 0.000 0.292 334 I C -0.054 176.109 176.117 0.076 0.000 1.001 334 I CA -0.964 60.380 61.300 0.072 0.000 1.119 334 I CB 1.714 39.755 38.000 0.068 0.000 1.289 334 I HN 0.071 nan 8.210 nan 0.000 0.438 335 V N 1.180 121.153 119.914 0.098 0.000 3.001 335 V HA 0.635 4.755 4.120 0.000 0.000 0.314 335 V C -0.186 175.971 176.094 0.104 0.000 1.099 335 V CA -0.537 61.823 62.300 0.100 0.000 0.989 335 V CB 1.717 33.612 31.823 0.121 0.000 1.040 335 V HN 0.659 nan 8.190 nan 0.000 0.434 336 T N 2.907 117.514 114.554 0.089 0.000 2.744 336 T HA 0.535 4.885 4.350 0.000 0.000 0.291 336 T C 0.461 175.226 174.700 0.108 0.000 0.957 336 T CA 0.170 62.321 62.100 0.086 0.000 1.002 336 T CB 0.812 69.713 68.868 0.056 0.000 0.919 336 T HN 1.217 nan 8.240 nan 0.000 0.468 337 T N 1.195 115.834 114.554 0.142 0.000 2.788 337 T HA 0.331 4.681 4.350 0.000 0.000 0.280 337 T C 1.620 176.410 174.700 0.151 0.000 0.984 337 T CA -0.859 61.347 62.100 0.176 0.000 0.972 337 T CB 0.693 69.738 68.868 0.295 0.000 1.039 337 T HN 0.546 nan 8.240 nan 0.000 0.530 338 M N 1.230 120.927 119.600 0.161 0.000 2.159 338 M HA -0.122 4.358 4.480 0.000 0.000 0.263 338 M C 2.235 178.606 176.300 0.118 0.000 1.063 338 M CA 2.168 57.549 55.300 0.134 0.000 1.110 338 M CB -0.450 32.244 32.600 0.157 0.000 1.374 338 M HN 0.896 nan 8.290 nan 0.000 0.411 339 S N -0.992 114.804 115.700 0.159 0.000 2.474 339 S HA 0.085 4.555 4.470 0.000 0.000 0.235 339 S C 1.587 176.201 174.600 0.022 0.000 0.997 339 S CA 0.854 59.102 58.200 0.080 0.000 0.949 339 S CB -0.421 62.816 63.200 0.063 0.000 0.766 339 S HN 0.799 nan 8.310 nan 0.000 0.517 340 G N 0.283 109.114 108.800 0.050 0.000 2.234 340 G HA2 -0.253 3.707 3.960 0.000 0.000 0.235 340 G HA3 -0.253 3.707 3.960 0.000 0.000 0.235 340 G C -0.078 174.828 174.900 0.011 0.000 0.997 340 G CA 0.005 45.118 45.100 0.022 0.000 0.623 340 G HN 0.597 nan 8.290 nan 0.000 0.514 341 Q N 2.003 121.796 119.800 -0.011 0.000 2.311 341 Q HA 0.436 4.776 4.340 0.000 0.000 0.272 341 Q C 0.841 176.873 176.000 0.053 0.000 1.012 341 Q CA 0.778 56.557 55.803 -0.040 0.000 0.891 341 Q CB 0.645 29.262 28.738 -0.202 0.000 1.201 341 Q HN 0.566 nan 8.270 nan 0.000 0.391 342 T N -1.364 113.219 114.554 0.048 0.000 2.909 342 T HA 0.518 4.868 4.350 0.000 0.000 0.289 342 T C -0.121 174.655 174.700 0.128 0.000 1.005 342 T CA -0.823 61.331 62.100 0.090 0.000 1.084 342 T CB 0.993 69.908 68.868 0.077 0.000 0.975 342 T HN 0.260 nan 8.240 nan 0.000 0.509 343 V N 2.584 122.599 119.914 0.168 0.000 2.531 343 V HA 0.412 4.532 4.120 0.000 0.000 0.301 343 V C 0.081 176.283 176.094 0.180 0.000 1.034 343 V CA -0.926 61.507 62.300 0.223 0.000 0.865 343 V CB 1.576 33.592 31.823 0.321 0.000 0.995 343 V HN 1.046 nan 8.190 nan 0.000 0.424 344 E N 4.360 124.667 120.200 0.179 0.000 2.194 344 E HA 0.371 4.721 4.350 0.000 0.000 0.284 344 E C -0.680 175.997 176.600 0.127 0.000 1.035 344 E CA -0.476 56.016 56.400 0.152 0.000 0.836 344 E CB 0.859 30.666 29.700 0.179 0.000 1.070 344 E HN 0.627 nan 8.360 nan 0.000 0.401 345 I N 7.347 127.974 120.570 0.095 0.000 2.243 345 I HA -0.003 4.167 4.170 0.000 0.000 0.297 345 I C 1.124 177.267 176.117 0.044 0.000 1.161 345 I CA -0.069 61.266 61.300 0.059 0.000 1.298 345 I CB 0.269 38.297 38.000 0.047 0.000 1.475 345 I HN 0.639 nan 8.210 nan 0.000 0.561 346 L N 3.697 124.945 121.223 0.042 0.000 2.072 346 L HA -0.017 4.323 4.340 0.000 0.000 0.205 346 L C 1.100 177.981 176.870 0.017 0.000 1.079 346 L CA 1.049 55.913 54.840 0.039 0.000 0.752 346 L CB -0.234 41.852 42.059 0.046 0.000 0.906 346 L HN 0.598 nan 8.230 nan 0.000 0.436 347 N N -0.730 117.968 118.700 -0.003 0.000 2.410 347 N HA 0.079 4.819 4.740 0.000 0.000 0.287 347 N C 0.530 176.023 175.510 -0.029 0.000 1.044 347 N CA 0.094 53.135 53.050 -0.014 0.000 0.881 347 N CB 1.843 40.317 38.487 -0.021 0.000 1.405 347 N HN -0.027 nan 8.380 nan 0.000 0.490 348 T N -0.763 113.778 114.554 -0.022 0.000 3.088 348 T HA -0.006 4.345 4.350 0.000 0.000 0.259 348 T C 0.918 175.594 174.700 -0.040 0.000 1.122 348 T CA 0.559 62.644 62.100 -0.025 0.000 1.095 348 T CB 0.118 68.978 68.868 -0.013 0.000 0.930 348 T HN 0.311 nan 8.240 nan 0.000 0.508 349 D N 1.787 122.162 120.400 -0.042 0.000 2.355 349 D HA 0.232 4.872 4.640 0.000 0.000 0.218 349 D C 0.958 177.217 176.300 -0.068 0.000 1.004 349 D CA 0.075 54.044 54.000 -0.052 0.000 0.880 349 D CB -0.222 40.553 40.800 -0.041 0.000 0.911 349 D HN 0.556 nan 8.370 nan 0.000 0.528 350 A N 1.094 123.865 122.820 -0.082 0.000 3.157 350 A HA 0.179 4.499 4.320 0.000 0.000 0.276 350 A C 1.273 178.771 177.584 -0.144 0.000 1.524 350 A CA -0.388 51.576 52.037 -0.121 0.000 1.236 350 A CB -0.141 18.768 19.000 -0.152 0.000 1.173 350 A HN 0.155 nan 8.150 nan 0.000 0.595 351 E N 0.765 120.897 120.200 -0.113 0.000 2.307 351 E HA 0.000 4.351 4.350 0.000 0.000 0.195 351 E C 1.507 178.030 176.600 -0.128 0.000 0.975 351 E CA 1.115 57.450 56.400 -0.108 0.000 0.878 351 E CB -0.885 28.766 29.700 -0.081 0.000 0.845 351 E HN 0.392 nan 8.360 nan 0.000 0.488 352 G N 3.184 111.914 108.800 -0.117 0.000 2.476 352 G HA2 -0.371 3.589 3.960 0.000 0.000 0.218 352 G HA3 -0.371 3.589 3.960 0.000 0.000 0.218 352 G C 1.874 176.704 174.900 -0.117 0.000 1.164 352 G CA 1.690 46.727 45.100 -0.106 0.000 0.768 352 G HN 0.454 nan 8.290 nan 0.000 0.560 353 R N 0.399 120.813 120.500 -0.142 0.000 2.152 353 R HA 0.065 4.405 4.340 0.000 0.000 0.232 353 R C 2.299 178.546 176.300 -0.087 0.000 1.117 353 R CA 1.276 57.293 56.100 -0.138 0.000 0.981 353 R CB -0.643 29.445 30.300 -0.354 0.000 0.870 353 R HN 0.421 nan 8.270 nan 0.000 0.451 354 L N 1.603 122.745 121.223 -0.135 0.000 2.109 354 L HA -0.067 4.273 4.340 0.000 0.000 0.207 354 L C 2.689 179.482 176.870 -0.127 0.000 1.086 354 L CA 0.887 55.685 54.840 -0.069 0.000 0.760 354 L CB -0.432 41.597 42.059 -0.051 0.000 0.910 354 L HN 0.138 nan 8.230 nan 0.000 0.437 355 V N -2.978 116.781 119.914 -0.259 0.000 2.591 355 V HA -0.112 4.008 4.120 0.000 0.000 0.249 355 V C 2.173 178.023 176.094 -0.407 0.000 1.053 355 V CA 0.916 62.871 62.300 -0.576 0.000 1.068 355 V CB -0.469 30.761 31.823 -0.988 0.000 0.689 355 V HN 0.298 nan 8.190 nan 0.000 0.462 356 L N 1.026 122.111 121.223 -0.230 0.000 2.027 356 L HA -0.142 4.198 4.340 0.000 0.000 0.206 356 L C 3.096 179.887 176.870 -0.132 0.000 1.074 356 L CA 1.892 56.660 54.840 -0.119 0.000 0.745 356 L CB -0.823 41.218 42.059 -0.029 0.000 0.898 356 L HN 0.692 nan 8.230 nan 0.000 0.433 357 C N -1.018 118.122 119.300 -0.268 0.000 2.413 357 C HA -0.171 4.289 4.460 0.000 0.000 0.276 357 C C 2.285 177.009 174.990 -0.443 0.000 1.248 357 C CA 0.654 59.250 59.018 -0.703 0.000 1.742 357 C CB -0.915 25.884 27.740 -1.569 0.000 2.017 357 C HN 0.490 nan 8.230 nan 0.000 0.481 358 D N 0.749 121.039 120.400 -0.182 0.000 2.144 358 D HA -0.055 4.585 4.640 0.000 0.000 0.200 358 D C 2.392 178.796 176.300 0.174 0.000 0.978 358 D CA 2.035 56.071 54.000 0.061 0.000 0.833 358 D CB -0.452 40.468 40.800 0.200 0.000 0.961 358 D HN 0.601 nan 8.370 nan 0.000 0.470 359 T N 0.833 115.481 114.554 0.155 0.000 2.942 359 T HA 0.035 4.385 4.350 0.000 0.000 0.265 359 T C 2.186 177.039 174.700 0.255 0.000 1.062 359 T CA 0.200 62.433 62.100 0.222 0.000 1.139 359 T CB 0.043 68.996 68.868 0.142 0.000 0.883 359 T HN 0.114 nan 8.240 nan 0.000 0.468 360 L N 0.942 122.272 121.223 0.179 0.000 2.093 360 L HA -0.092 4.248 4.340 0.000 0.000 0.208 360 L C 2.798 179.857 176.870 0.314 0.000 1.085 360 L CA 1.105 56.090 54.840 0.242 0.000 0.755 360 L CB -0.936 41.202 42.059 0.130 0.000 0.904 360 L HN 0.287 nan 8.230 nan 0.000 0.435 361 T N -1.621 113.082 114.554 0.247 0.000 2.821 361 T HA -0.231 4.119 4.350 0.000 0.000 0.267 361 T C 1.676 176.530 174.700 0.255 0.000 1.046 361 T CA 1.084 63.323 62.100 0.232 0.000 1.139 361 T CB -0.331 68.665 68.868 0.214 0.000 0.871 361 T HN 0.295 nan 8.240 nan 0.000 0.454 362 Y N 1.979 122.382 120.300 0.172 0.000 2.293 362 Y HA 0.057 4.607 4.550 0.000 0.000 0.291 362 Y C 2.505 178.538 175.900 0.221 0.000 1.137 362 Y CA 0.661 58.859 58.100 0.163 0.000 1.202 362 Y CB -0.454 38.116 38.460 0.185 0.000 0.990 362 Y HN 0.198 nan 8.280 nan 0.000 0.537 363 A N 0.164 123.242 122.820 0.429 0.000 2.076 363 A HA -0.236 4.084 4.320 0.000 0.000 0.220 363 A C 1.992 179.771 177.584 0.325 0.000 1.160 363 A CA 1.845 54.141 52.037 0.431 0.000 0.653 363 A CB -0.657 18.489 19.000 0.243 0.000 0.801 363 A HN 0.664 nan 8.150 nan 0.000 0.455 364 E N -0.198 120.158 120.200 0.259 0.000 2.085 364 E HA -0.261 4.089 4.350 0.000 0.000 0.194 364 E C 2.256 178.853 176.600 -0.006 0.000 0.994 364 E CA 1.411 57.936 56.400 0.207 0.000 0.801 364 E CB -0.257 29.518 29.700 0.125 0.000 0.743 364 E HN 0.829 nan 8.360 nan 0.000 0.453 365 R N 0.480 120.823 120.500 -0.262 0.000 2.139 365 R HA -0.170 4.170 4.340 0.000 0.000 0.243 365 R C 1.630 177.692 176.300 -0.396 0.000 1.145 365 R CA 1.593 57.428 56.100 -0.443 0.000 0.976 365 R CB -0.776 29.064 30.300 -0.767 0.000 0.866 365 R HN 0.151 nan 8.270 nan 0.000 0.449 366 F N 1.407 121.328 119.950 -0.048 0.000 2.802 366 F HA 0.191 4.718 4.527 0.000 0.000 0.300 366 F C 0.479 176.264 175.800 -0.025 0.000 1.168 366 F CA 0.091 58.072 58.000 -0.032 0.000 1.433 366 F CB 0.032 39.019 39.000 -0.022 0.000 1.115 366 F HN -0.141 nan 8.300 nan 0.000 0.582 367 K N -0.351 120.112 120.400 0.106 0.000 3.148 367 K HA -0.177 4.143 4.320 0.000 0.000 0.267 367 K C -2.613 174.024 176.600 0.062 0.000 0.996 367 K CA 0.234 56.567 56.287 0.078 0.000 0.737 367 K CB -2.005 30.518 32.500 0.038 0.000 1.308 367 K HN 0.252 nan 8.250 nan 0.000 0.470 368 P HA 0.007 nan 4.420 nan 0.000 0.274 368 P C 0.804 178.060 177.300 -0.074 0.000 1.231 368 P CA -0.097 62.976 63.100 -0.045 0.000 0.790 368 P CB 0.546 32.184 31.700 -0.103 0.000 0.951 369 Q N 1.328 121.008 119.800 -0.200 0.000 2.398 369 Q HA 0.308 4.648 4.340 0.000 0.000 0.204 369 Q C 0.092 176.037 176.000 -0.093 0.000 0.932 369 Q CA 0.211 55.909 55.803 -0.174 0.000 0.916 369 Q CB 0.228 28.786 28.738 -0.299 0.000 1.024 369 Q HN 0.434 nan 8.270 nan 0.000 0.504 370 A N 0.366 123.120 122.820 -0.110 0.000 2.547 370 A HA 0.621 4.941 4.320 0.000 0.000 0.297 370 A C -1.469 176.135 177.584 0.034 0.000 1.056 370 A CA -0.651 51.433 52.037 0.078 0.000 0.688 370 A CB 2.337 21.535 19.000 0.330 0.000 1.282 370 A HN 0.056 nan 8.150 nan 0.000 0.400 371 V N 2.687 122.623 119.914 0.037 0.000 2.482 371 V HA 0.484 4.604 4.120 0.000 0.000 0.295 371 V C -0.807 175.361 176.094 0.124 0.000 1.026 371 V CA -0.093 62.210 62.300 0.006 0.000 0.856 371 V CB 1.326 32.970 31.823 -0.299 0.000 1.001 371 V HN 0.708 nan 8.190 nan 0.000 0.424 372 I N 4.954 125.559 120.570 0.058 0.000 2.410 372 I HA 0.457 4.627 4.170 0.000 0.000 0.286 372 I C -0.892 175.257 176.117 0.053 0.000 1.009 372 I CA -0.592 60.688 61.300 -0.033 0.000 1.111 372 I CB 2.007 39.911 38.000 -0.159 0.000 1.262 372 I HN 0.666 nan 8.210 nan 0.000 0.443 373 D N 7.170 127.649 120.400 0.132 0.000 2.168 373 D HA 0.599 5.239 4.640 0.000 0.000 0.246 373 D C -0.689 175.669 176.300 0.097 0.000 1.050 373 D CA -0.394 53.719 54.000 0.188 0.000 0.857 373 D CB 2.038 43.057 40.800 0.365 0.000 1.169 373 D HN 0.158 nan 8.370 nan 0.000 0.453 374 I N 0.922 121.524 120.570 0.054 0.000 2.465 374 I HA 0.705 4.875 4.170 0.000 0.000 0.291 374 I C -0.230 175.906 176.117 0.031 0.000 1.014 374 I CA -0.627 60.667 61.300 -0.009 0.000 1.093 374 I CB 1.825 39.805 38.000 -0.033 0.000 1.267 374 I HN 0.721 nan 8.210 nan 0.000 0.431 375 A N 2.451 125.283 122.820 0.019 0.000 2.589 375 A HA 0.699 5.019 4.320 0.000 0.000 0.296 375 A C -0.403 177.209 177.584 0.046 0.000 1.062 375 A CA -0.659 51.414 52.037 0.059 0.000 0.686 375 A CB 1.240 20.322 19.000 0.136 0.000 1.282 375 A HN 0.676 nan 8.150 nan 0.000 0.404 376 T N 1.019 115.619 114.554 0.076 0.000 3.945 376 T HA 0.352 4.702 4.350 0.000 0.000 0.306 376 T C 0.699 175.451 174.700 0.086 0.000 1.475 376 T CA -0.124 62.044 62.100 0.113 0.000 1.177 376 T CB -0.219 68.801 68.868 0.253 0.000 1.272 376 T HN 0.533 nan 8.240 nan 0.000 0.930 377 L N 2.648 123.910 121.223 0.065 0.000 2.130 377 L HA 0.310 4.650 4.340 0.000 0.000 0.200 377 L C 1.128 178.021 176.870 0.039 0.000 1.075 377 L CA 1.298 56.180 54.840 0.070 0.000 0.768 377 L CB -0.051 42.101 42.059 0.154 0.000 0.933 377 L HN 0.790 nan 8.230 nan 0.000 0.451 378 T N -4.237 110.334 114.554 0.028 0.000 2.881 378 T HA 0.500 4.850 4.350 0.000 0.000 0.290 378 T C 0.930 175.624 174.700 -0.011 0.000 1.000 378 T CA -0.312 61.792 62.100 0.007 0.000 0.978 378 T CB 1.358 70.231 68.868 0.008 0.000 0.997 378 T HN 0.168 nan 8.240 nan 0.000 0.443 379 G N 1.243 110.038 108.800 -0.008 0.000 2.501 379 G HA2 0.021 3.981 3.960 0.000 0.000 0.220 379 G HA3 0.021 3.981 3.960 0.000 0.000 0.220 379 G C 1.443 176.323 174.900 -0.033 0.000 1.114 379 G CA 0.616 45.705 45.100 -0.020 0.000 0.757 379 G HN 1.108 nan 8.290 nan 0.000 0.559 380 A N -0.467 122.338 122.820 -0.026 0.000 2.014 380 A HA -0.004 4.316 4.320 0.000 0.000 0.218 380 A C 2.463 180.022 177.584 -0.041 0.000 1.163 380 A CA 1.435 53.455 52.037 -0.028 0.000 0.652 380 A CB -0.904 18.084 19.000 -0.019 0.000 0.808 380 A HN 0.434 nan 8.150 nan 0.000 0.449 381 C N -0.374 118.898 119.300 -0.047 0.000 2.440 381 C HA -0.039 4.421 4.460 0.000 0.000 0.278 381 C C 2.550 177.486 174.990 -0.090 0.000 1.295 381 C CA 1.010 59.990 59.018 -0.063 0.000 1.738 381 C CB -1.391 26.309 27.740 -0.066 0.000 1.987 381 C HN 0.616 nan 8.230 nan 0.000 0.492 382 I N 0.422 120.927 120.570 -0.108 0.000 2.226 382 I HA -0.165 4.005 4.170 0.000 0.000 0.245 382 I C 2.396 178.453 176.117 -0.101 0.000 1.100 382 I CA 1.419 62.639 61.300 -0.134 0.000 1.374 382 I CB -0.580 37.327 38.000 -0.155 0.000 1.057 382 I HN 0.139 nan 8.210 nan 0.000 0.413 383 V N 0.994 120.864 119.914 -0.074 0.000 2.407 383 V HA -0.275 3.845 4.120 0.000 0.000 0.248 383 V C 2.605 178.663 176.094 -0.058 0.000 1.055 383 V CA 2.058 64.323 62.300 -0.058 0.000 1.049 383 V CB -0.944 30.855 31.823 -0.040 0.000 0.662 383 V HN 0.522 nan 8.190 nan 0.000 0.455 384 A N -1.037 121.747 122.820 -0.061 0.000 1.911 384 A HA 0.165 4.485 4.320 0.000 0.000 0.212 384 A C 1.917 179.454 177.584 -0.079 0.000 1.189 384 A CA 1.131 53.133 52.037 -0.059 0.000 0.639 384 A CB -0.070 18.902 19.000 -0.047 0.000 0.839 384 A HN 0.487 nan 8.150 nan 0.000 0.449 385 L N -2.008 119.163 121.223 -0.086 0.000 3.086 385 L HA 0.395 4.735 4.340 0.000 0.000 0.274 385 L C 1.220 178.030 176.870 -0.100 0.000 1.184 385 L CA 0.231 55.011 54.840 -0.099 0.000 1.002 385 L CB 0.463 42.474 42.059 -0.079 0.000 1.383 385 L HN 0.619 nan 8.230 nan 0.000 0.582 386 G N 1.389 110.119 108.800 -0.116 0.000 2.539 386 G HA2 -0.349 3.611 3.960 0.000 0.000 0.256 386 G HA3 -0.349 3.611 3.960 0.000 0.000 0.256 386 G C 0.529 175.290 174.900 -0.231 0.000 1.233 386 G CA 0.233 45.245 45.100 -0.147 0.000 0.936 386 G HN 0.370 nan 8.290 nan 0.000 0.571 387 S N -1.161 114.324 115.700 -0.358 0.000 2.554 387 S HA 0.336 4.806 4.470 0.000 0.000 0.226 387 S C 1.099 175.402 174.600 -0.496 0.000 0.980 387 S CA 0.803 58.721 58.200 -0.470 0.000 0.939 387 S CB 0.108 62.983 63.200 -0.541 0.000 0.832 387 S HN 0.728 nan 8.310 nan 0.000 0.486 388 H N 1.111 120.105 119.070 -0.127 0.000 2.729 388 H HA 0.301 4.857 4.556 0.000 0.000 0.263 388 H C -0.214 175.063 175.328 -0.085 0.000 0.961 388 H CA 0.560 56.547 56.048 -0.102 0.000 1.217 388 H CB 0.735 30.441 29.762 -0.095 0.000 1.447 388 H HN 0.343 nan 8.280 nan 0.000 0.496 389 T N 1.443 115.999 114.554 0.004 0.000 2.881 389 T HA 0.218 4.568 4.350 0.000 0.000 0.291 389 T C -0.008 174.674 174.700 -0.031 0.000 0.990 389 T CA -0.556 61.547 62.100 0.005 0.000 0.976 389 T CB 2.496 71.374 68.868 0.016 0.000 0.970 389 T HN -0.064 nan 8.240 nan 0.000 0.438 390 T N 2.993 117.527 114.554 -0.033 0.000 2.870 390 T HA 0.398 4.748 4.350 0.000 0.000 0.300 390 T C 1.059 175.731 174.700 -0.046 0.000 0.989 390 T CA -0.308 61.751 62.100 -0.068 0.000 1.139 390 T CB 0.532 69.350 68.868 -0.084 0.000 0.920 390 T HN 0.733 nan 8.240 nan 0.000 0.537 391 G N 2.101 110.855 108.800 -0.077 0.000 2.442 391 G HA2 0.485 4.445 3.960 0.000 0.000 0.249 391 G HA3 0.485 4.445 3.960 0.000 0.000 0.249 391 G C -0.999 173.815 174.900 -0.142 0.000 1.263 391 G CA -0.321 44.738 45.100 -0.068 0.000 0.846 391 G HN 0.571 nan 8.290 nan 0.000 0.555 392 L N 2.020 123.172 121.223 -0.120 0.000 2.436 392 L HA 0.810 5.150 4.340 0.000 0.000 0.268 392 L C -0.475 176.296 176.870 -0.166 0.000 0.974 392 L CA -0.698 54.033 54.840 -0.182 0.000 0.826 392 L CB 1.978 43.937 42.059 -0.168 0.000 1.291 392 L HN 0.602 nan 8.230 nan 0.000 0.406 393 M N 2.970 122.452 119.600 -0.197 0.000 2.593 393 M HA 0.899 5.379 4.480 0.000 0.000 0.290 393 M C -0.270 175.824 176.300 -0.343 0.000 1.244 393 M CA -0.389 54.810 55.300 -0.169 0.000 0.857 393 M CB 2.690 35.275 32.600 -0.025 0.000 1.738 393 M HN 0.723 nan 8.290 nan 0.000 0.461 394 G N 0.398 109.040 108.800 -0.263 0.000 2.523 394 G HA2 0.350 4.310 3.960 0.000 0.000 0.291 394 G HA3 0.350 4.310 3.960 0.000 0.000 0.291 394 G C -1.197 173.728 174.900 0.041 0.000 1.450 394 G CA -0.705 44.206 45.100 -0.315 0.000 0.790 394 G HN 0.777 nan 8.290 nan 0.000 0.496 395 N N -0.771 118.066 118.700 0.229 0.000 2.230 395 N HA 0.158 4.898 4.740 0.000 0.000 0.202 395 N C -0.067 175.543 175.510 0.168 0.000 1.119 395 N CA -0.421 52.788 53.050 0.265 0.000 0.851 395 N CB 0.676 39.388 38.487 0.374 0.000 0.990 395 N HN 0.337 nan 8.380 nan 0.000 0.497 396 N N 0.078 118.846 118.700 0.114 0.000 2.500 396 N HA 0.200 4.940 4.740 0.000 0.000 0.291 396 N C -0.387 175.150 175.510 0.046 0.000 1.092 396 N CA -0.372 52.731 53.050 0.088 0.000 0.890 396 N CB 1.598 40.151 38.487 0.110 0.000 1.466 396 N HN -0.165 nan 8.380 nan 0.000 0.507 397 D N 1.397 121.820 120.400 0.040 0.000 2.149 397 D HA -0.159 4.481 4.640 0.000 0.000 0.198 397 D C 0.439 176.747 176.300 0.013 0.000 0.990 397 D CA 1.303 55.313 54.000 0.016 0.000 0.839 397 D CB 0.373 41.186 40.800 0.021 0.000 0.948 397 D HN 0.638 nan 8.370 nan 0.000 0.460 398 D N 0.400 120.821 120.400 0.035 0.000 2.097 398 D HA -0.112 4.528 4.640 0.000 0.000 0.197 398 D C 2.266 178.604 176.300 0.063 0.000 0.984 398 D CA 0.255 54.283 54.000 0.047 0.000 0.826 398 D CB -0.254 40.582 40.800 0.061 0.000 0.973 398 D HN 0.125 nan 8.370 nan 0.000 0.460 399 L N 1.256 122.522 121.223 0.072 0.000 1.989 399 L HA -0.160 4.180 4.340 0.000 0.000 0.211 399 L C 2.370 179.237 176.870 -0.004 0.000 1.071 399 L CA 1.453 56.338 54.840 0.076 0.000 0.749 399 L CB -0.806 41.289 42.059 0.061 0.000 0.890 399 L HN -0.145 nan 8.230 nan 0.000 0.431 400 V N 0.323 120.208 119.914 -0.048 0.000 2.287 400 V HA -0.278 3.842 4.120 0.000 0.000 0.248 400 V C 2.646 178.695 176.094 -0.075 0.000 1.053 400 V CA 1.934 64.175 62.300 -0.098 0.000 1.027 400 V CB -1.628 30.128 31.823 -0.111 0.000 0.646 400 V HN 0.676 nan 8.190 nan 0.000 0.447 401 G N -1.327 107.447 108.800 -0.043 0.000 2.476 401 G HA2 -0.326 3.634 3.960 0.000 0.000 0.218 401 G HA3 -0.326 3.634 3.960 0.000 0.000 0.218 401 G C 1.490 176.392 174.900 0.002 0.000 1.164 401 G CA 1.068 46.149 45.100 -0.030 0.000 0.768 401 G HN 0.564 nan 8.290 nan 0.000 0.560 402 Q N -0.445 119.385 119.800 0.050 0.000 2.079 402 Q HA 0.091 4.431 4.340 0.000 0.000 0.200 402 Q C 2.695 178.767 176.000 0.120 0.000 0.974 402 Q CA 0.791 56.662 55.803 0.113 0.000 0.840 402 Q CB -0.191 28.683 28.738 0.226 0.000 0.898 402 Q HN 0.449 nan 8.270 nan 0.000 0.430 403 L N -0.181 121.068 121.223 0.044 0.000 2.072 403 L HA -0.186 4.154 4.340 0.000 0.000 0.205 403 L C 2.081 178.931 176.870 -0.033 0.000 1.079 403 L CA 0.371 55.191 54.840 -0.034 0.000 0.752 403 L CB -0.275 41.674 42.059 -0.184 0.000 0.906 403 L HN 0.232 nan 8.230 nan 0.000 0.436 404 L N 0.122 121.314 121.223 -0.052 0.000 1.990 404 L HA -0.302 4.038 4.340 0.000 0.000 0.213 404 L C 2.181 179.043 176.870 -0.014 0.000 1.072 404 L CA 2.049 56.857 54.840 -0.054 0.000 0.755 404 L CB -0.815 41.182 42.059 -0.104 0.000 0.889 404 L HN 0.261 nan 8.230 nan 0.000 0.432 405 D N -1.244 119.156 120.400 -0.000 0.000 2.097 405 D HA -0.177 4.463 4.640 0.000 0.000 0.195 405 D C 2.173 178.494 176.300 0.036 0.000 0.989 405 D CA 1.259 55.270 54.000 0.018 0.000 0.827 405 D CB 0.016 40.828 40.800 0.021 0.000 0.966 405 D HN 0.309 nan 8.370 nan 0.000 0.456 406 A N 0.060 122.911 122.820 0.052 0.000 1.948 406 A HA -0.102 4.218 4.320 0.000 0.000 0.220 406 A C 2.355 179.966 177.584 0.044 0.000 1.177 406 A CA 2.175 54.250 52.037 0.062 0.000 0.636 406 A CB -1.415 17.650 19.000 0.108 0.000 0.815 406 A HN 0.388 nan 8.150 nan 0.000 0.449 407 G N -0.444 108.373 108.800 0.028 0.000 2.418 407 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 407 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 407 G C 1.670 176.592 174.900 0.035 0.000 1.158 407 G CA 1.100 46.214 45.100 0.023 0.000 0.771 407 G HN 0.611 nan 8.290 nan 0.000 0.545 408 K N -0.006 120.418 120.400 0.039 0.000 2.057 408 K HA 0.021 4.341 4.320 0.000 0.000 0.206 408 K C 2.666 179.294 176.600 0.047 0.000 1.050 408 K CA 0.786 57.100 56.287 0.045 0.000 0.935 408 K CB -0.134 32.392 32.500 0.043 0.000 0.715 408 K HN 0.127 nan 8.250 nan 0.000 0.439 409 R N 0.260 120.792 120.500 0.052 0.000 2.115 409 R HA -0.001 4.339 4.340 0.000 0.000 0.226 409 R C 2.004 178.345 176.300 0.068 0.000 1.100 409 R CA 1.088 57.229 56.100 0.068 0.000 0.980 409 R CB -0.063 30.287 30.300 0.083 0.000 0.875 409 R HN 0.152 nan 8.270 nan 0.000 0.445 410 A N 0.789 123.641 122.820 0.055 0.000 2.251 410 A HA -0.033 4.287 4.320 0.000 0.000 0.209 410 A C 0.201 177.807 177.584 0.037 0.000 1.187 410 A CA 0.340 52.404 52.037 0.046 0.000 0.823 410 A CB 0.114 19.136 19.000 0.037 0.000 0.846 410 A HN 0.368 nan 8.150 nan 0.000 0.486 411 D N -0.521 119.902 120.400 0.039 0.000 2.697 411 D HA -0.178 4.462 4.640 0.000 0.000 0.238 411 D C -0.582 175.733 176.300 0.025 0.000 1.152 411 D CA 1.295 55.316 54.000 0.035 0.000 0.666 411 D CB -1.266 39.557 40.800 0.039 0.000 1.037 411 D HN 0.409 nan 8.370 nan 0.000 0.423 412 D N 0.348 120.761 120.400 0.022 0.000 2.621 412 D HA 0.224 4.864 4.640 0.000 0.000 0.274 412 D C -0.340 175.967 176.300 0.012 0.000 1.215 412 D CA -0.453 53.553 54.000 0.011 0.000 0.810 412 D CB 0.168 40.969 40.800 0.002 0.000 1.248 412 D HN 0.244 nan 8.370 nan 0.000 0.517 413 R N 0.714 121.230 120.500 0.026 0.000 2.543 413 R HA 0.689 5.029 4.340 0.000 0.000 0.277 413 R C 0.147 176.474 176.300 0.045 0.000 1.074 413 R CA -0.210 55.919 56.100 0.047 0.000 1.076 413 R CB 1.344 31.689 30.300 0.074 0.000 0.993 413 R HN 0.305 nan 8.270 nan 0.000 0.459 414 A N 2.685 125.537 122.820 0.053 0.000 2.309 414 A HA 0.641 4.961 4.320 0.000 0.000 0.317 414 A C -1.599 176.085 177.584 0.167 0.000 1.134 414 A CA -0.567 51.499 52.037 0.050 0.000 0.866 414 A CB 1.396 20.379 19.000 -0.028 0.000 1.329 414 A HN 0.760 nan 8.150 nan 0.000 0.477 415 W N 0.683 121.936 121.300 -0.079 0.000 3.425 415 W HA 0.335 4.995 4.660 0.000 0.000 0.318 415 W C -1.287 175.182 176.519 -0.084 0.000 1.201 415 W CA -0.204 57.100 57.345 -0.068 0.000 1.212 415 W CB 1.433 30.858 29.460 -0.058 0.000 1.355 415 W HN 0.913 nan 8.180 nan 0.000 0.515 416 Q N 4.049 123.598 119.800 -0.418 0.000 2.293 416 Q HA 0.501 4.841 4.340 0.000 0.000 0.251 416 Q C -1.155 174.767 176.000 -0.130 0.000 0.930 416 Q CA -0.019 55.625 55.803 -0.265 0.000 0.893 416 Q CB 1.212 29.758 28.738 -0.320 0.000 1.215 416 Q HN 0.559 nan 8.270 nan 0.000 0.425 417 L N 5.065 126.231 121.223 -0.095 0.000 2.342 417 L HA 0.635 4.975 4.340 0.000 0.000 0.271 417 L C -2.204 174.545 176.870 -0.201 0.000 1.008 417 L CA -2.267 52.511 54.840 -0.103 0.000 0.818 417 L CB 1.959 43.973 42.059 -0.075 0.000 1.296 417 L HN 0.643 nan 8.230 nan 0.000 0.427 418 P HA 0.233 nan 4.420 nan 0.000 0.286 418 P C -0.821 176.214 177.300 -0.442 0.000 1.261 418 P CA -0.342 62.427 63.100 -0.552 0.000 0.821 418 P CB 1.444 32.415 31.700 -1.214 0.000 1.013 419 L N 2.792 123.877 121.223 -0.230 0.000 2.828 419 L HA 0.295 4.635 4.340 0.000 0.000 0.233 419 L C -0.070 176.959 176.870 0.265 0.000 1.250 419 L CA -0.645 54.212 54.840 0.028 0.000 1.125 419 L CB -0.512 41.622 42.059 0.126 0.000 1.432 419 L HN 0.191 nan 8.230 nan 0.000 0.444 420 F N 0.107 120.265 119.950 0.347 0.000 2.471 420 F HA 0.029 4.556 4.527 0.000 0.000 0.353 420 F C 1.627 177.557 175.800 0.216 0.000 1.113 420 F CA -0.623 57.538 58.000 0.268 0.000 1.262 420 F CB 0.424 39.568 39.000 0.239 0.000 1.146 420 F HN 0.216 nan 8.300 nan 0.000 0.578 421 D N 1.114 121.690 120.400 0.293 0.000 2.190 421 D HA -0.201 4.439 4.640 0.000 0.000 0.200 421 D C 1.645 177.996 176.300 0.084 0.000 0.992 421 D CA 1.543 55.632 54.000 0.149 0.000 0.854 421 D CB 0.225 41.068 40.800 0.071 0.000 0.936 421 D HN 0.581 nan 8.370 nan 0.000 0.462 422 E N -1.105 119.095 120.200 -0.000 0.000 2.204 422 E HA -0.171 4.179 4.350 0.000 0.000 0.195 422 E C 1.465 177.989 176.600 -0.128 0.000 0.990 422 E CA 0.804 57.127 56.400 -0.127 0.000 0.821 422 E CB -0.228 29.313 29.700 -0.265 0.000 0.750 422 E HN 0.596 nan 8.360 nan 0.000 0.477 423 Y N 0.518 120.888 120.300 0.116 0.000 2.439 423 Y HA -0.085 4.465 4.550 0.000 0.000 0.292 423 Y C 2.193 178.143 175.900 0.084 0.000 1.130 423 Y CA 0.511 58.670 58.100 0.097 0.000 1.254 423 Y CB 0.141 38.662 38.460 0.101 0.000 1.000 423 Y HN 0.018 nan 8.280 nan 0.000 0.554 424 Q N 0.837 120.759 119.800 0.204 0.000 2.167 424 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 424 Q C 1.916 177.974 176.000 0.097 0.000 0.970 424 Q CA 1.514 57.402 55.803 0.141 0.000 0.855 424 Q CB -0.390 28.408 28.738 0.101 0.000 0.911 424 Q HN 0.746 nan 8.270 nan 0.000 0.438 425 E N 0.655 120.896 120.200 0.068 0.000 2.333 425 E HA -0.214 4.136 4.350 0.000 0.000 0.198 425 E C 1.417 178.051 176.600 0.058 0.000 1.007 425 E CA 0.783 57.209 56.400 0.043 0.000 0.845 425 E CB -0.153 29.557 29.700 0.017 0.000 0.766 425 E HN 0.437 nan 8.360 nan 0.000 0.507 426 Q N 0.331 120.184 119.800 0.090 0.000 2.297 426 Q HA 0.043 4.383 4.340 0.000 0.000 0.204 426 Q C 1.945 178.003 176.000 0.096 0.000 0.962 426 Q CA 0.708 56.568 55.803 0.094 0.000 0.879 426 Q CB 0.068 28.883 28.738 0.127 0.000 0.947 426 Q HN 0.393 nan 8.270 nan 0.000 0.462 427 L N 0.598 121.889 121.223 0.112 0.000 2.592 427 L HA 0.068 4.408 4.340 0.000 0.000 0.227 427 L C -0.108 176.821 176.870 0.098 0.000 1.127 427 L CA -0.369 54.551 54.840 0.133 0.000 0.884 427 L CB 0.047 42.224 42.059 0.197 0.000 1.065 427 L HN 0.023 nan 8.230 nan 0.000 0.457 428 D N 1.038 121.474 120.400 0.061 0.000 2.533 428 D HA 0.010 4.651 4.640 0.000 0.000 0.236 428 D C 0.272 176.585 176.300 0.022 0.000 1.137 428 D CA 0.584 54.602 54.000 0.030 0.000 0.867 428 D CB 1.074 41.878 40.800 0.007 0.000 1.170 428 D HN -0.053 nan 8.370 nan 0.000 0.474 429 S N 1.789 117.494 115.700 0.009 0.000 2.532 429 S HA 0.511 4.981 4.470 0.000 0.000 0.301 429 S C -1.753 172.776 174.600 -0.118 0.000 1.083 429 S CA -1.407 56.785 58.200 -0.013 0.000 1.025 429 S CB 1.601 64.839 63.200 0.064 0.000 1.056 429 S HN 0.187 nan 8.310 nan 0.000 0.494 430 P HA 0.150 nan 4.420 nan 0.000 0.227 430 P C 0.506 177.505 177.300 -0.502 0.000 1.161 430 P CA 0.767 63.571 63.100 -0.494 0.000 0.788 430 P CB 0.012 31.224 31.700 -0.814 0.000 0.822 431 F N 0.199 120.165 119.950 0.026 0.000 2.419 431 F HA 0.402 4.929 4.527 0.000 0.000 0.283 431 F C 1.709 177.525 175.800 0.026 0.000 1.044 431 F CA -0.149 57.866 58.000 0.025 0.000 1.376 431 F CB -1.113 37.903 39.000 0.026 0.000 1.131 431 F HN -0.151 nan 8.300 nan 0.000 0.585 432 A N 0.223 123.165 122.820 0.202 0.000 2.263 432 A HA 0.355 4.675 4.320 0.000 0.000 0.318 432 A C 0.758 178.389 177.584 0.078 0.000 1.111 432 A CA -0.314 51.804 52.037 0.134 0.000 0.901 432 A CB 0.037 19.127 19.000 0.149 0.000 1.280 432 A HN 0.146 nan 8.150 nan 0.000 0.503 433 D N -0.277 120.156 120.400 0.056 0.000 2.123 433 D HA -0.048 4.592 4.640 0.000 0.000 0.196 433 D C 0.812 177.128 176.300 0.026 0.000 0.992 433 D CA 2.124 56.134 54.000 0.016 0.000 0.833 433 D CB -0.132 40.656 40.800 -0.021 0.000 0.954 433 D HN 0.632 nan 8.370 nan 0.000 0.455 434 M N -1.709 117.935 119.600 0.074 0.000 2.578 434 M HA 0.588 5.068 4.480 0.000 0.000 0.276 434 M C -0.458 175.955 176.300 0.188 0.000 1.245 434 M CA -0.884 54.486 55.300 0.117 0.000 0.871 434 M CB 2.293 34.958 32.600 0.109 0.000 1.722 434 M HN -0.129 nan 8.290 nan 0.000 0.473 435 G N 1.026 109.938 108.800 0.188 0.000 2.528 435 G HA2 0.331 4.291 3.960 0.000 0.000 0.289 435 G HA3 0.331 4.291 3.960 0.000 0.000 0.289 435 G C 0.279 175.330 174.900 0.251 0.000 1.192 435 G CA -0.420 44.793 45.100 0.189 0.000 0.921 435 G HN 0.944 nan 8.290 nan 0.000 0.512 436 N N -0.819 117.947 118.700 0.109 0.000 2.336 436 N HA 0.012 4.752 4.740 0.000 0.000 0.189 436 N C 0.513 175.908 175.510 -0.192 0.000 1.113 436 N CA 0.127 53.072 53.050 -0.175 0.000 0.858 436 N CB -0.101 38.186 38.487 -0.332 0.000 0.970 436 N HN 0.616 nan 8.380 nan 0.000 0.471 437 I N -5.622 114.927 120.570 -0.035 0.000 2.828 437 I HA 0.697 4.867 4.170 0.000 0.000 0.302 437 I C 0.482 176.623 176.117 0.038 0.000 1.101 437 I CA -1.435 59.852 61.300 -0.021 0.000 1.031 437 I CB 2.219 40.207 38.000 -0.020 0.000 1.231 437 I HN -0.215 nan 8.210 nan 0.000 0.427 438 G N 1.692 110.520 108.800 0.045 0.000 3.453 438 G HA2 0.584 4.544 3.960 0.000 0.000 0.263 438 G HA3 0.584 4.544 3.960 0.000 0.000 0.263 438 G C 0.526 175.462 174.900 0.059 0.000 1.060 438 G CA -0.028 45.114 45.100 0.070 0.000 0.793 438 G HN 1.457 nan 8.290 nan 0.000 0.532 439 G N 0.900 109.724 108.800 0.040 0.000 2.615 439 G HA2 -0.124 3.836 3.960 0.000 0.000 0.218 439 G HA3 -0.124 3.836 3.960 0.000 0.000 0.218 439 G C -1.095 173.825 174.900 0.033 0.000 1.339 439 G CA -0.038 45.083 45.100 0.035 0.000 0.884 439 G HN 0.184 nan 8.290 nan 0.000 0.559 440 P HA 0.189 nan 4.420 nan 0.000 0.240 440 P C 0.337 177.657 177.300 0.034 0.000 1.190 440 P CA 0.688 63.804 63.100 0.026 0.000 0.781 440 P CB 0.188 31.901 31.700 0.022 0.000 0.931 441 K N 1.175 121.606 120.400 0.052 0.000 2.285 441 K HA 0.501 4.821 4.320 0.000 0.000 0.286 441 K C 0.178 176.826 176.600 0.079 0.000 1.072 441 K CA -0.044 56.286 56.287 0.072 0.000 0.913 441 K CB 0.415 32.972 32.500 0.096 0.000 1.067 441 K HN 0.020 nan 8.250 nan 0.000 0.479 442 A N 2.745 125.593 122.820 0.048 0.000 2.734 442 A HA -0.144 4.177 4.320 0.000 0.000 0.294 442 A C 1.174 178.742 177.584 -0.027 0.000 1.455 442 A CA 0.559 52.593 52.037 -0.006 0.000 0.730 442 A CB -2.106 16.889 19.000 -0.008 0.000 1.077 442 A HN 1.045 nan 8.150 nan 0.000 0.448 443 G N -0.378 108.414 108.800 -0.013 0.000 2.402 443 G HA2 -0.020 3.940 3.960 0.000 0.000 0.216 443 G HA3 -0.020 3.940 3.960 0.000 0.000 0.216 443 G C 1.402 176.296 174.900 -0.011 0.000 1.162 443 G CA 1.960 47.056 45.100 -0.007 0.000 0.777 443 G HN 0.919 nan 8.290 nan 0.000 0.539 444 T N 1.510 116.051 114.554 -0.022 0.000 2.708 444 T HA -0.060 4.290 4.350 0.000 0.000 0.266 444 T C 2.379 177.076 174.700 -0.005 0.000 1.037 444 T CA 1.050 63.148 62.100 -0.003 0.000 1.146 444 T CB -0.162 68.693 68.868 -0.022 0.000 0.865 444 T HN 0.235 nan 8.240 nan 0.000 0.435 445 I N 1.872 122.386 120.570 -0.094 0.000 2.226 445 I HA -0.185 3.985 4.170 0.000 0.000 0.245 445 I C 2.995 179.070 176.117 -0.070 0.000 1.100 445 I CA 1.637 62.835 61.300 -0.171 0.000 1.374 445 I CB -0.816 36.884 38.000 -0.500 0.000 1.057 445 I HN 0.434 nan 8.210 nan 0.000 0.413 446 T N -0.738 113.798 114.554 -0.030 0.000 2.821 446 T HA -0.046 4.304 4.350 0.000 0.000 0.267 446 T C 2.042 176.805 174.700 0.105 0.000 1.046 446 T CA 0.873 63.014 62.100 0.067 0.000 1.139 446 T CB -0.471 68.448 68.868 0.085 0.000 0.871 446 T HN 0.323 nan 8.240 nan 0.000 0.454 447 A N 2.153 125.009 122.820 0.061 0.000 1.883 447 A HA 0.157 4.477 4.320 0.000 0.000 0.217 447 A C 2.769 180.407 177.584 0.090 0.000 1.186 447 A CA 1.965 54.035 52.037 0.055 0.000 0.624 447 A CB -1.772 17.247 19.000 0.032 0.000 0.822 447 A HN 0.626 nan 8.150 nan 0.000 0.444 448 G N -0.791 108.065 108.800 0.093 0.000 2.513 448 G HA2 -0.351 3.609 3.960 0.000 0.000 0.219 448 G HA3 -0.351 3.609 3.960 0.000 0.000 0.219 448 G C 1.624 176.662 174.900 0.230 0.000 1.160 448 G CA 1.426 46.620 45.100 0.156 0.000 0.767 448 G HN 0.548 nan 8.290 nan 0.000 0.571 449 C N -0.366 119.046 119.300 0.187 0.000 2.429 449 C HA 0.015 4.475 4.460 0.000 0.000 0.277 449 C C 2.427 177.526 174.990 0.181 0.000 1.262 449 C CA 0.653 59.783 59.018 0.187 0.000 1.733 449 C CB -1.281 26.570 27.740 0.186 0.000 2.010 449 C HN 0.462 nan 8.230 nan 0.000 0.483 450 F N 1.502 121.499 119.950 0.078 0.000 2.069 450 F HA -0.151 4.376 4.527 0.000 0.000 0.298 450 F C 2.147 178.034 175.800 0.145 0.000 1.113 450 F CA 1.684 59.747 58.000 0.105 0.000 1.214 450 F CB -0.437 38.611 39.000 0.081 0.000 0.978 450 F HN 0.106 nan 8.300 nan 0.000 0.474 451 L N 0.003 121.390 121.223 0.274 0.000 2.083 451 L HA -0.216 4.124 4.340 0.000 0.000 0.209 451 L C 2.747 179.464 176.870 -0.256 0.000 1.083 451 L CA 1.402 56.289 54.840 0.078 0.000 0.752 451 L CB -1.073 41.036 42.059 0.083 0.000 0.899 451 L HN 0.347 nan 8.230 nan 0.000 0.433 452 S N -0.003 115.525 115.700 -0.287 0.000 2.440 452 S HA -0.221 4.249 4.470 0.000 0.000 0.240 452 S C 1.944 176.331 174.600 -0.354 0.000 1.014 452 S CA 0.921 58.838 58.200 -0.472 0.000 0.980 452 S CB -0.464 62.758 63.200 0.036 0.000 0.775 452 S HN 0.415 nan 8.310 nan 0.000 0.499 453 R N -0.623 119.707 120.500 -0.284 0.000 2.316 453 R HA 0.156 4.497 4.340 0.000 0.000 0.202 453 R C 0.447 176.337 176.300 -0.684 0.000 1.029 453 R CA 0.871 56.694 56.100 -0.460 0.000 1.018 453 R CB -0.207 29.747 30.300 -0.578 0.000 0.888 453 R HN 0.560 nan 8.270 nan 0.000 0.471 454 F N -1.755 117.942 119.950 -0.421 0.000 2.767 454 F HA 0.309 4.837 4.527 0.000 0.000 0.323 454 F C 1.289 176.823 175.800 -0.444 0.000 1.091 454 F CA -0.316 57.468 58.000 -0.359 0.000 1.192 454 F CB 0.743 39.574 39.000 -0.281 0.000 1.056 454 F HN -0.151 nan 8.300 nan 0.000 0.571 455 A N -0.156 122.369 122.820 -0.491 0.000 2.708 455 A HA 0.237 4.557 4.320 0.000 0.000 0.293 455 A C 1.596 178.816 177.584 -0.607 0.000 1.303 455 A CA -0.180 51.449 52.037 -0.681 0.000 0.949 455 A CB -0.415 17.947 19.000 -1.063 0.000 1.121 455 A HN 0.148 nan 8.150 nan 0.000 0.542 456 K N -0.121 119.992 120.400 -0.479 0.000 2.217 456 K HA 0.001 4.322 4.320 0.000 0.000 0.202 456 K C 1.797 178.215 176.600 -0.303 0.000 1.051 456 K CA 1.022 57.125 56.287 -0.308 0.000 0.952 456 K CB 0.004 32.358 32.500 -0.243 0.000 0.736 456 K HN 0.470 nan 8.250 nan 0.000 0.453 457 A N 0.993 123.522 122.820 -0.485 0.000 2.239 457 A HA -0.028 4.292 4.320 0.000 0.000 0.209 457 A C 0.177 177.641 177.584 -0.200 0.000 1.171 457 A CA 0.652 52.481 52.037 -0.347 0.000 0.768 457 A CB -0.383 18.434 19.000 -0.305 0.000 0.790 457 A HN 0.368 nan 8.150 nan 0.000 0.478 458 Y N -4.130 116.202 120.300 0.054 0.000 2.725 458 Y HA 0.497 5.047 4.550 0.000 0.000 0.333 458 Y C -1.071 174.918 175.900 0.149 0.000 1.242 458 Y CA -2.968 55.186 58.100 0.090 0.000 1.059 458 Y CB -0.130 38.389 38.460 0.098 0.000 1.306 458 Y HN -0.097 nan 8.280 nan 0.000 0.454 459 N N 1.114 120.062 118.700 0.414 0.000 2.452 459 N HA 0.166 4.906 4.740 0.000 0.000 0.266 459 N C -1.472 174.303 175.510 0.443 0.000 1.175 459 N CA 0.312 53.562 53.050 0.334 0.000 0.945 459 N CB 0.666 39.275 38.487 0.203 0.000 1.063 459 N HN 0.853 nan 8.380 nan 0.000 0.472 460 W N 2.324 123.753 121.300 0.215 0.000 3.032 460 W HA 0.669 5.329 4.660 0.000 0.000 0.335 460 W C -1.642 174.952 176.519 0.125 0.000 1.154 460 W CA -0.638 56.832 57.345 0.208 0.000 1.204 460 W CB 1.173 30.843 29.460 0.351 0.000 1.416 460 W HN 0.513 nan 8.180 nan 0.000 0.521 461 A N 3.205 125.493 122.820 -0.886 0.000 2.556 461 A HA 0.638 4.958 4.320 0.000 0.000 0.294 461 A C -2.313 174.617 177.584 -1.090 0.000 1.091 461 A CA -0.654 50.762 52.037 -1.035 0.000 0.704 461 A CB 1.675 20.386 19.000 -0.482 0.000 1.300 461 A HN 0.930 nan 8.150 nan 0.000 0.406 462 H N 0.732 119.258 119.070 -0.907 0.000 2.689 462 H HA 0.739 5.296 4.556 0.000 0.000 0.346 462 H C -1.263 173.921 175.328 -0.241 0.000 1.037 462 H CA -0.578 55.212 56.048 -0.430 0.000 1.234 462 H CB 1.070 30.685 29.762 -0.246 0.000 1.572 462 H HN 0.551 nan 8.280 nan 0.000 0.524 463 M N 4.162 123.383 119.600 -0.631 0.000 2.125 463 M HA 0.196 4.676 4.480 0.000 0.000 0.321 463 M C -0.959 175.004 176.300 -0.560 0.000 0.983 463 M CA -0.773 54.223 55.300 -0.507 0.000 0.934 463 M CB 1.608 34.044 32.600 -0.274 0.000 1.542 463 M HN 0.561 nan 8.290 nan 0.000 0.424 464 D N 4.578 124.683 120.400 -0.492 0.000 2.411 464 D HA 0.271 4.911 4.640 0.000 0.000 0.225 464 D C 0.391 176.594 176.300 -0.162 0.000 1.156 464 D CA -0.254 53.589 54.000 -0.262 0.000 0.874 464 D CB 0.736 41.441 40.800 -0.157 0.000 1.034 464 D HN 0.709 nan 8.370 nan 0.000 0.502 465 I N 0.719 121.221 120.570 -0.115 0.000 3.855 465 I HA 0.316 4.486 4.170 0.000 0.000 0.327 465 I C 1.558 177.601 176.117 -0.123 0.000 1.359 465 I CA -0.490 60.745 61.300 -0.107 0.000 1.142 465 I CB 0.462 38.419 38.000 -0.072 0.000 1.041 465 I HN 0.178 nan 8.210 nan 0.000 0.403 466 A N 1.695 124.446 122.820 -0.115 0.000 2.024 466 A HA -0.022 4.298 4.320 0.000 0.000 0.220 466 A C 2.226 179.540 177.584 -0.449 0.000 1.164 466 A CA 1.836 53.774 52.037 -0.164 0.000 0.643 466 A CB -0.961 17.990 19.000 -0.081 0.000 0.806 466 A HN 0.597 nan 8.150 nan 0.000 0.451 467 G N -1.717 106.863 108.800 -0.366 0.000 2.719 467 G HA2 0.124 4.084 3.960 0.000 0.000 0.211 467 G HA3 0.124 4.084 3.960 0.000 0.000 0.211 467 G C 1.367 175.995 174.900 -0.453 0.000 1.140 467 G CA 1.323 46.158 45.100 -0.441 0.000 0.790 467 G HN 0.667 nan 8.290 nan 0.000 0.529 468 T N -2.789 111.563 114.554 -0.337 0.000 3.023 468 T HA 0.504 4.854 4.350 0.000 0.000 0.253 468 T C 2.103 176.669 174.700 -0.223 0.000 1.038 468 T CA 0.985 62.928 62.100 -0.261 0.000 0.962 468 T CB 0.749 69.516 68.868 -0.168 0.000 1.018 468 T HN 0.155 nan 8.240 nan 0.000 0.521 469 A N 0.780 123.467 122.820 -0.221 0.000 2.081 469 A HA 0.548 4.868 4.320 0.000 0.000 0.214 469 A C 0.512 178.104 177.584 0.014 0.000 1.158 469 A CA -0.126 51.885 52.037 -0.043 0.000 0.724 469 A CB -0.387 18.690 19.000 0.128 0.000 0.826 469 A HN 0.859 nan 8.150 nan 0.000 0.463 470 W N -2.571 118.556 121.300 -0.288 0.000 3.074 470 W HA 0.712 5.372 4.660 0.000 0.000 0.332 470 W C -1.680 174.655 176.519 -0.307 0.000 1.253 470 W CA -1.221 55.868 57.345 -0.427 0.000 1.180 470 W CB 0.346 29.306 29.460 -0.833 0.000 1.445 470 W HN -0.134 nan 8.180 nan 0.000 0.573 471 I N 2.853 123.377 120.570 -0.077 0.000 2.354 471 I HA 0.189 4.359 4.170 0.000 0.000 0.292 471 I C 0.971 177.160 176.117 0.119 0.000 0.989 471 I CA -0.384 60.865 61.300 -0.083 0.000 1.188 471 I CB 1.965 39.926 38.000 -0.064 0.000 1.342 471 I HN 0.710 nan 8.210 nan 0.000 0.457 472 S N 3.311 119.058 115.700 0.079 0.000 2.383 472 S HA 0.041 4.511 4.470 0.000 0.000 0.227 472 S C 0.702 175.388 174.600 0.144 0.000 1.026 472 S CA 1.162 59.486 58.200 0.207 0.000 0.981 472 S CB 0.058 63.331 63.200 0.121 0.000 0.818 472 S HN 0.878 nan 8.310 nan 0.000 0.472 473 G N -1.835 107.010 108.800 0.076 0.000 2.766 473 G HA2 0.557 4.517 3.960 0.000 0.000 0.288 473 G HA3 0.557 4.517 3.960 0.000 0.000 0.288 473 G C 0.075 175.004 174.900 0.047 0.000 1.408 473 G CA -0.084 45.054 45.100 0.064 0.000 0.852 473 G HN 0.653 nan 8.290 nan 0.000 0.487 474 G N 0.264 109.091 108.800 0.045 0.000 2.566 474 G HA2 -0.269 3.691 3.960 0.000 0.000 0.280 474 G HA3 -0.269 3.691 3.960 0.000 0.000 0.280 474 G C 1.401 176.327 174.900 0.043 0.000 1.225 474 G CA 1.532 46.655 45.100 0.037 0.000 0.966 474 G HN 1.519 nan 8.290 nan 0.000 0.560 475 K N -0.449 119.973 120.400 0.036 0.000 2.057 475 K HA -0.025 4.295 4.320 0.000 0.000 0.207 475 K C 0.857 177.488 176.600 0.052 0.000 1.049 475 K CA 2.113 58.425 56.287 0.041 0.000 0.931 475 K CB -0.051 32.468 32.500 0.031 0.000 0.714 475 K HN 0.378 nan 8.250 nan 0.000 0.440 476 D N 1.425 121.852 120.400 0.044 0.000 2.525 476 D HA 0.046 4.686 4.640 0.000 0.000 0.229 476 D C -0.575 175.754 176.300 0.048 0.000 1.202 476 D CA -0.118 53.912 54.000 0.049 0.000 0.828 476 D CB 0.293 41.109 40.800 0.027 0.000 1.008 476 D HN 0.219 nan 8.370 nan 0.000 0.493 477 K N 1.432 121.872 120.400 0.066 0.000 2.466 477 K HA 0.278 4.598 4.320 0.000 0.000 0.278 477 K C 0.359 177.012 176.600 0.090 0.000 1.048 477 K CA 0.498 56.835 56.287 0.083 0.000 1.088 477 K CB 0.088 32.653 32.500 0.107 0.000 0.884 477 K HN 0.288 nan 8.250 nan 0.000 0.478 478 G N 1.855 110.663 108.800 0.014 0.000 2.361 478 G HA2 0.281 4.241 3.960 0.000 0.000 0.305 478 G HA3 0.281 4.241 3.960 0.000 0.000 0.305 478 G C -1.285 173.462 174.900 -0.255 0.000 1.367 478 G CA -0.544 44.527 45.100 -0.048 0.000 0.951 478 G HN 0.747 nan 8.290 nan 0.000 0.615 479 A N -0.511 122.144 122.820 -0.275 0.000 2.561 479 A HA 0.522 4.842 4.320 0.000 0.000 0.234 479 A C 1.732 179.208 177.584 -0.180 0.000 1.055 479 A CA 1.625 53.530 52.037 -0.220 0.000 0.756 479 A CB 0.063 19.012 19.000 -0.085 0.000 0.986 479 A HN 2.212 nan 8.150 nan 0.000 0.505 480 T N -0.835 113.635 114.554 -0.141 0.000 3.051 480 T HA 0.393 4.743 4.350 0.000 0.000 0.255 480 T C 1.469 176.087 174.700 -0.136 0.000 1.085 480 T CA 1.060 63.079 62.100 -0.136 0.000 1.109 480 T CB -0.058 68.742 68.868 -0.114 0.000 0.921 480 T HN 2.437 nan 8.240 nan 0.000 0.488 481 G N 1.906 110.635 108.800 -0.117 0.000 2.184 481 G HA2 -0.274 3.686 3.960 0.000 0.000 0.264 481 G HA3 -0.274 3.686 3.960 0.000 0.000 0.264 481 G C 0.176 175.044 174.900 -0.054 0.000 0.975 481 G CA -0.020 45.028 45.100 -0.087 0.000 0.642 481 G HN 0.680 nan 8.290 nan 0.000 0.536 482 R N 0.753 121.218 120.500 -0.058 0.000 2.490 482 R HA 0.416 4.757 4.340 0.000 0.000 0.280 482 R C -2.034 174.240 176.300 -0.043 0.000 1.077 482 R CA -0.918 55.152 56.100 -0.050 0.000 1.065 482 R CB 0.990 31.252 30.300 -0.064 0.000 1.003 482 R HN 0.124 nan 8.270 nan 0.000 0.470 483 P HA 0.106 nan 4.420 nan 0.000 0.239 483 P C 0.495 177.780 177.300 -0.026 0.000 1.880 483 P CA -0.134 62.942 63.100 -0.040 0.000 1.088 483 P CB 0.505 32.172 31.700 -0.055 0.000 1.721 484 V N 1.216 121.121 119.914 -0.016 0.000 2.332 484 V HA -0.168 3.952 4.120 0.000 0.000 0.248 484 V C -0.361 175.734 176.094 0.001 0.000 1.055 484 V CA 2.352 64.650 62.300 -0.002 0.000 1.038 484 V CB -2.172 29.658 31.823 0.012 0.000 0.651 484 V HN 0.270 nan 8.190 nan 0.000 0.450 485 P HA -0.169 nan 4.420 nan 0.000 0.215 485 P C 2.045 179.352 177.300 0.011 0.000 1.157 485 P CA 1.415 64.520 63.100 0.008 0.000 0.868 485 P CB -0.053 31.651 31.700 0.007 0.000 0.788 486 L N -1.218 120.006 121.223 0.003 0.000 2.012 486 L HA -0.183 4.158 4.340 0.000 0.000 0.210 486 L C 2.258 179.139 176.870 0.019 0.000 1.073 486 L CA 1.664 56.508 54.840 0.006 0.000 0.748 486 L CB -0.701 41.347 42.059 -0.018 0.000 0.891 486 L HN -0.098 nan 8.230 nan 0.000 0.431 487 L N -1.026 120.198 121.223 0.001 0.000 2.027 487 L HA -0.191 4.149 4.340 0.000 0.000 0.206 487 L C 2.496 179.396 176.870 0.050 0.000 1.074 487 L CA 1.746 56.594 54.840 0.014 0.000 0.745 487 L CB -0.903 41.145 42.059 -0.019 0.000 0.898 487 L HN 0.260 nan 8.230 nan 0.000 0.433 488 T N -1.289 113.272 114.554 0.012 0.000 2.788 488 T HA -0.263 4.087 4.350 0.000 0.000 0.268 488 T C 1.802 176.484 174.700 -0.031 0.000 1.044 488 T CA 1.452 63.541 62.100 -0.017 0.000 1.139 488 T CB -0.166 68.690 68.868 -0.020 0.000 0.867 488 T HN 0.204 nan 8.240 nan 0.000 0.454 489 Q N 0.326 120.128 119.800 0.004 0.000 2.124 489 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 489 Q C 1.914 177.912 176.000 -0.003 0.000 0.977 489 Q CA 1.433 57.238 55.803 0.002 0.000 0.850 489 Q CB -0.657 28.103 28.738 0.037 0.000 0.901 489 Q HN 0.696 nan 8.270 nan 0.000 0.429 490 Y N 0.186 120.429 120.300 -0.095 0.000 2.128 490 Y HA -0.223 4.327 4.550 0.000 0.000 0.284 490 Y C 1.550 177.333 175.900 -0.195 0.000 1.154 490 Y CA 2.019 60.046 58.100 -0.122 0.000 1.149 490 Y CB -0.250 38.138 38.460 -0.120 0.000 0.976 490 Y HN 0.176 nan 8.280 nan 0.000 0.505 491 L N -0.606 120.432 121.223 -0.309 0.000 2.156 491 L HA -0.190 4.150 4.340 0.000 0.000 0.208 491 L C 2.472 179.138 176.870 -0.341 0.000 1.095 491 L CA 0.875 55.439 54.840 -0.460 0.000 0.770 491 L CB -0.594 41.296 42.059 -0.280 0.000 0.914 491 L HN 0.296 nan 8.230 nan 0.000 0.439 492 L N -0.249 120.831 121.223 -0.238 0.000 2.042 492 L HA -0.259 4.081 4.340 0.000 0.000 0.210 492 L C 2.271 179.025 176.870 -0.194 0.000 1.076 492 L CA 1.241 55.951 54.840 -0.217 0.000 0.749 492 L CB -0.632 41.292 42.059 -0.224 0.000 0.893 492 L HN 0.280 nan 8.230 nan 0.000 0.432 493 D N -0.316 119.963 120.400 -0.202 0.000 2.104 493 D HA -0.157 4.483 4.640 0.000 0.000 0.194 493 D C 2.345 178.513 176.300 -0.220 0.000 0.994 493 D CA 0.987 54.878 54.000 -0.181 0.000 0.830 493 D CB -0.217 40.485 40.800 -0.163 0.000 0.959 493 D HN 0.141 nan 8.370 nan 0.000 0.452 494 R N 0.552 120.828 120.500 -0.373 0.000 2.148 494 R HA 0.062 4.402 4.340 0.000 0.000 0.227 494 R C 1.868 178.076 176.300 -0.153 0.000 1.103 494 R CA 0.830 56.744 56.100 -0.309 0.000 0.983 494 R CB -0.571 29.372 30.300 -0.596 0.000 0.874 494 R HN 0.146 nan 8.270 nan 0.000 0.451 495 A N -0.013 122.709 122.820 -0.162 0.000 2.251 495 A HA 0.262 4.582 4.320 0.000 0.000 0.209 495 A C 1.272 178.823 177.584 -0.054 0.000 1.187 495 A CA 0.691 52.679 52.037 -0.081 0.000 0.823 495 A CB -0.103 18.847 19.000 -0.084 0.000 0.846 495 A HN 0.371 nan 8.150 nan 0.000 0.486 496 G N -1.222 107.537 108.800 -0.069 0.000 2.249 496 G HA2 0.055 4.015 3.960 0.000 0.000 0.273 496 G HA3 0.055 4.015 3.960 0.000 0.000 0.273 496 G C 0.428 175.301 174.900 -0.044 0.000 1.036 496 G CA 0.674 45.745 45.100 -0.050 0.000 0.824 496 G HN 1.453 nan 8.290 nan 0.000 0.504 497 A N 0.000 122.784 122.820 -0.060 0.000 2.254 497 A HA 0.000 4.320 4.320 0.000 0.000 0.244 497 A CA 0.000 52.019 52.037 -0.029 0.000 0.836 497 A CB 0.000 18.964 19.000 -0.060 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486