REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3h8e_1_B DATA FIRST_RESID 1 DATA SEQUENCE MELVVKSVAA ASVKTATLVI PVGENRKLGA VAKAVDLASE GAISAVLKRG DATA SEQUENCE DLAGKPGQTL LLQNLQGLKA ERVLLVGSGK DEALGDRTWR KLVASVAGVL DATA SEQUENCE KGLNGADAVL ALDDVAVNNR DAHYGKYRLL AETLLDGEYV FDRFKSXXXE DATA SEQUENCE PRALKKVTLL ADKAGQAEVE RAVKHASAIA TGMAFTRDLG NLPPNLCHPS DATA SEQUENCE FLAEQAKELG KAHKALKVEV LDEKKIKDLG MGAFYAVGQG SDQPPRLIVL DATA SEQUENCE NYQGGKKADK PFVLVGKGIX XXXXXXXXXX XXXXXXXXXX MCGAASVFGT DATA SEQUENCE LRAVLELQLP VNLVCLLACA ENMPSGGATR PGDIVTTMSG QTVEILNTDA DATA SEQUENCE EGRLVLCDTL TYAERFKPQA VIDIATLTGA CIVALGSHTT GLMGNNDDLV DATA SEQUENCE GQLLDAGKRA DDRAWQLPLF DEYQEQLDSP FADMGNIGGP KAGTITAGCF DATA SEQUENCE LSRFAKAYNW AHMDIAGTAW ISGGKDKGAT GRPVPLLTQY LLDRAGA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.019 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 E N 3.169 123.377 120.200 0.015 0.000 2.289 2 E HA 0.498 4.848 4.350 0.000 0.000 0.278 2 E C -1.873 174.735 176.600 0.013 0.000 1.032 2 E CA -0.523 55.885 56.400 0.013 0.000 0.854 2 E CB 1.226 30.931 29.700 0.009 0.000 1.046 2 E HN 0.551 nan 8.360 nan 0.000 0.409 3 L N 6.548 127.779 121.223 0.014 0.000 2.372 3 L HA 0.408 4.748 4.340 0.000 0.000 0.274 3 L C -1.267 175.606 176.870 0.004 0.000 0.988 3 L CA -0.706 54.142 54.840 0.013 0.000 0.833 3 L CB 1.467 43.539 42.059 0.021 0.000 1.236 3 L HN 0.370 nan 8.230 nan 0.000 0.410 4 V N 2.738 122.650 119.914 -0.003 0.000 3.102 4 V HA 0.863 4.983 4.120 0.000 0.000 0.312 4 V C -1.026 175.050 176.094 -0.029 0.000 1.135 4 V CA -0.791 61.500 62.300 -0.015 0.000 1.022 4 V CB 2.061 33.877 31.823 -0.011 0.000 1.056 4 V HN 0.407 nan 8.190 nan 0.000 0.436 5 V N 1.919 121.807 119.914 -0.043 0.000 2.604 5 V HA 0.663 4.783 4.120 0.000 0.000 0.305 5 V C -0.109 175.953 176.094 -0.053 0.000 1.043 5 V CA -0.568 61.691 62.300 -0.069 0.000 0.888 5 V CB 1.595 33.358 31.823 -0.099 0.000 0.995 5 V HN 1.041 nan 8.190 nan 0.000 0.429 6 K N 1.397 121.767 120.400 -0.050 0.000 2.444 6 K HA 0.591 4.911 4.320 0.000 0.000 0.252 6 K C 0.125 176.702 176.600 -0.039 0.000 0.993 6 K CA -0.598 55.667 56.287 -0.037 0.000 0.847 6 K CB 2.183 34.670 32.500 -0.021 0.000 1.340 6 K HN 0.580 nan 8.250 nan 0.000 0.446 7 S N 0.547 116.229 115.700 -0.031 0.000 2.749 7 S HA 0.087 4.557 4.470 0.000 0.000 0.246 7 S C 0.248 174.840 174.600 -0.012 0.000 1.023 7 S CA -0.550 57.634 58.200 -0.027 0.000 1.012 7 S CB -0.154 63.023 63.200 -0.038 0.000 0.942 7 S HN 0.403 nan 8.310 nan 0.000 0.531 8 V N 0.654 120.563 119.914 -0.008 0.000 3.237 8 V HA 0.764 4.884 4.120 0.000 0.000 0.305 8 V C 0.697 176.795 176.094 0.005 0.000 1.096 8 V CA -0.453 61.846 62.300 -0.002 0.000 1.130 8 V CB -0.160 31.662 31.823 -0.001 0.000 1.048 8 V HN 0.481 nan 8.190 nan 0.000 0.484 9 A N 2.314 125.138 122.820 0.007 0.000 2.401 9 A HA 0.688 5.008 4.320 0.000 0.000 0.259 9 A C 1.482 179.075 177.584 0.015 0.000 1.103 9 A CA 0.070 52.115 52.037 0.012 0.000 0.789 9 A CB 0.495 19.502 19.000 0.011 0.000 1.035 9 A HN 1.927 nan 8.150 nan 0.000 0.491 10 A N 2.442 125.274 122.820 0.020 0.000 1.940 10 A HA 0.103 4.423 4.320 0.000 0.000 0.219 10 A C 2.227 179.822 177.584 0.018 0.000 1.176 10 A CA 2.230 54.281 52.037 0.023 0.000 0.631 10 A CB -0.788 18.230 19.000 0.030 0.000 0.814 10 A HN 1.688 nan 8.150 nan 0.000 0.446 11 A N -0.078 122.752 122.820 0.016 0.000 2.119 11 A HA 0.042 4.362 4.320 0.000 0.000 0.217 11 A C 2.319 179.909 177.584 0.011 0.000 1.153 11 A CA 1.833 53.878 52.037 0.014 0.000 0.692 11 A CB -0.623 18.385 19.000 0.013 0.000 0.799 11 A HN 0.964 nan 8.150 nan 0.000 0.458 12 S N -1.284 114.422 115.700 0.010 0.000 2.501 12 S HA 0.145 4.615 4.470 0.000 0.000 0.220 12 S C 0.568 175.172 174.600 0.007 0.000 0.997 12 S CA 0.437 58.642 58.200 0.008 0.000 0.919 12 S CB -0.469 62.735 63.200 0.006 0.000 0.778 12 S HN 0.327 nan 8.310 nan 0.000 0.523 13 V N 2.698 122.618 119.914 0.009 0.000 2.461 13 V HA 0.377 4.497 4.120 0.000 0.000 0.275 13 V C -0.025 176.074 176.094 0.008 0.000 1.047 13 V CA -0.841 61.464 62.300 0.008 0.000 0.955 13 V CB 1.014 32.843 31.823 0.010 0.000 0.988 13 V HN 0.474 nan 8.190 nan 0.000 0.471 14 K N 4.656 125.059 120.400 0.006 0.000 2.383 14 K HA 0.434 4.754 4.320 0.000 0.000 0.286 14 K C -0.362 176.242 176.600 0.006 0.000 1.051 14 K CA 0.202 56.492 56.287 0.006 0.000 0.974 14 K CB 0.602 33.104 32.500 0.004 0.000 0.968 14 K HN 0.871 nan 8.250 nan 0.000 0.475 15 T N 1.730 116.289 114.554 0.007 0.000 2.830 15 T HA 0.394 4.744 4.350 0.000 0.000 0.322 15 T C 0.341 175.045 174.700 0.007 0.000 1.501 15 T CA -0.003 62.102 62.100 0.008 0.000 1.036 15 T CB 1.267 70.141 68.868 0.010 0.000 1.379 15 T HN 0.530 nan 8.240 nan 0.000 0.493 16 A N 1.600 124.424 122.820 0.007 0.000 1.930 16 A HA 0.322 4.642 4.320 0.000 0.000 0.217 16 A C 0.912 178.500 177.584 0.008 0.000 1.175 16 A CA 1.357 53.397 52.037 0.006 0.000 0.627 16 A CB -0.285 18.718 19.000 0.005 0.000 0.815 16 A HN 0.802 nan 8.150 nan 0.000 0.443 17 T N -0.461 114.098 114.554 0.010 0.000 3.071 17 T HA 0.466 4.816 4.350 0.000 0.000 0.311 17 T C -1.332 173.378 174.700 0.015 0.000 1.042 17 T CA -0.426 61.681 62.100 0.011 0.000 1.028 17 T CB 1.543 70.417 68.868 0.010 0.000 1.068 17 T HN 0.216 nan 8.240 nan 0.000 0.451 18 L N 4.765 125.999 121.223 0.018 0.000 2.275 18 L HA 0.751 5.091 4.340 0.000 0.000 0.288 18 L C -0.908 175.978 176.870 0.027 0.000 1.046 18 L CA -0.347 54.507 54.840 0.023 0.000 0.805 18 L CB 0.991 43.064 42.059 0.022 0.000 1.193 18 L HN 0.476 nan 8.230 nan 0.000 0.426 19 V N 6.861 126.796 119.914 0.035 0.000 2.417 19 V HA 0.550 4.670 4.120 0.000 0.000 0.291 19 V C 0.089 176.215 176.094 0.053 0.000 1.024 19 V CA -0.462 61.862 62.300 0.039 0.000 0.861 19 V CB 1.193 33.040 31.823 0.039 0.000 0.985 19 V HN 0.759 nan 8.190 nan 0.000 0.436 20 I N 3.136 123.735 120.570 0.049 0.000 2.865 20 I HA 0.812 4.982 4.170 0.000 0.000 0.302 20 I C -2.928 173.222 176.117 0.055 0.000 1.140 20 I CA -2.580 58.753 61.300 0.056 0.000 1.021 20 I CB 3.006 41.032 38.000 0.044 0.000 1.233 20 I HN 0.361 nan 8.210 nan 0.000 0.427 21 P HA 0.440 nan 4.420 nan 0.000 0.290 21 P C -1.107 176.217 177.300 0.041 0.000 1.275 21 P CA -0.577 62.559 63.100 0.060 0.000 0.841 21 P CB 2.436 34.182 31.700 0.077 0.000 1.042 22 V N 1.841 121.776 119.914 0.035 0.000 2.638 22 V HA 0.576 4.696 4.120 0.000 0.000 0.306 22 V C 0.867 176.975 176.094 0.023 0.000 1.052 22 V CA -0.500 61.815 62.300 0.025 0.000 0.885 22 V CB 1.808 33.644 31.823 0.022 0.000 0.999 22 V HN 0.814 nan 8.190 nan 0.000 0.424 23 G N 2.545 111.355 108.800 0.017 0.000 2.588 23 G HA2 0.440 4.400 3.960 0.000 0.000 0.281 23 G HA3 0.440 4.400 3.960 0.000 0.000 0.281 23 G C -0.164 174.742 174.900 0.011 0.000 1.236 23 G CA -0.449 44.659 45.100 0.014 0.000 0.969 23 G HN 0.699 nan 8.290 nan 0.000 0.504 24 E N 0.292 120.497 120.200 0.009 0.000 2.422 24 E HA -0.023 4.327 4.350 0.000 0.000 0.260 24 E C 0.049 176.652 176.600 0.005 0.000 1.108 24 E CA 0.036 56.440 56.400 0.007 0.000 0.943 24 E CB 0.281 29.984 29.700 0.005 0.000 0.961 24 E HN 0.514 nan 8.360 nan 0.000 0.443 25 N N 1.984 120.687 118.700 0.005 0.000 2.725 25 N HA -0.261 4.479 4.740 0.000 0.000 0.249 25 N C -0.656 174.857 175.510 0.005 0.000 1.103 25 N CA 1.265 54.317 53.050 0.004 0.000 0.707 25 N CB -0.937 37.552 38.487 0.003 0.000 1.043 25 N HN 0.649 nan 8.380 nan 0.000 0.553 26 R N -2.080 118.424 120.500 0.007 0.000 3.770 26 R HA -0.216 4.124 4.340 0.000 0.000 0.305 26 R C 0.169 176.474 176.300 0.008 0.000 1.184 26 R CA 1.387 57.491 56.100 0.008 0.000 0.823 26 R CB -1.490 28.814 30.300 0.007 0.000 1.285 26 R HN 0.484 nan 8.270 nan 0.000 0.499 27 K N 1.739 122.143 120.400 0.007 0.000 2.339 27 K HA 0.241 4.561 4.320 0.000 0.000 0.286 27 K C -0.236 176.370 176.600 0.009 0.000 1.050 27 K CA -0.052 56.239 56.287 0.007 0.000 0.956 27 K CB 0.495 32.998 32.500 0.004 0.000 0.990 27 K HN 0.109 nan 8.250 nan 0.000 0.475 28 L N 4.105 125.334 121.223 0.009 0.000 2.296 28 L HA 0.382 4.722 4.340 0.000 0.000 0.286 28 L C 0.939 177.815 176.870 0.011 0.000 1.023 28 L CA -1.016 53.831 54.840 0.012 0.000 0.812 28 L CB 1.638 43.704 42.059 0.013 0.000 1.223 28 L HN 0.806 nan 8.230 nan 0.000 0.421 29 G N 1.193 110.000 108.800 0.012 0.000 2.683 29 G HA2 0.311 4.271 3.960 0.000 0.000 0.260 29 G HA3 0.311 4.271 3.960 0.000 0.000 0.260 29 G C 1.033 175.942 174.900 0.014 0.000 1.238 29 G CA 0.206 45.312 45.100 0.011 0.000 0.934 29 G HN 0.825 nan 8.290 nan 0.000 0.534 30 A N -0.798 122.031 122.820 0.014 0.000 1.927 30 A HA -0.096 4.224 4.320 0.000 0.000 0.220 30 A C 2.571 180.168 177.584 0.022 0.000 1.185 30 A CA 2.326 54.373 52.037 0.017 0.000 0.639 30 A CB -0.764 18.246 19.000 0.017 0.000 0.820 30 A HN 0.557 nan 8.150 nan 0.000 0.451 31 V N -0.410 119.520 119.914 0.028 0.000 2.270 31 V HA -0.219 3.901 4.120 0.000 0.000 0.245 31 V C 3.076 179.188 176.094 0.030 0.000 1.043 31 V CA 2.000 64.320 62.300 0.034 0.000 1.014 31 V CB -1.307 30.544 31.823 0.047 0.000 0.645 31 V HN 0.638 nan 8.190 nan 0.000 0.447 32 A N -0.329 122.510 122.820 0.030 0.000 1.940 32 A HA -0.286 4.034 4.320 0.000 0.000 0.219 32 A C 2.340 179.937 177.584 0.021 0.000 1.176 32 A CA 2.285 54.338 52.037 0.027 0.000 0.631 32 A CB -0.510 18.506 19.000 0.027 0.000 0.814 32 A HN 0.543 nan 8.150 nan 0.000 0.446 33 K N -0.386 120.025 120.400 0.018 0.000 2.097 33 K HA -0.026 4.294 4.320 0.000 0.000 0.205 33 K C 2.120 178.729 176.600 0.014 0.000 1.050 33 K CA 1.072 57.368 56.287 0.015 0.000 0.938 33 K CB -0.308 32.200 32.500 0.013 0.000 0.718 33 K HN 0.362 nan 8.250 nan 0.000 0.442 34 A N 0.587 123.417 122.820 0.016 0.000 1.933 34 A HA -0.098 4.222 4.320 0.000 0.000 0.218 34 A C 2.153 179.746 177.584 0.015 0.000 1.175 34 A CA 1.554 53.600 52.037 0.015 0.000 0.628 34 A CB -0.477 18.533 19.000 0.016 0.000 0.814 34 A HN 0.174 nan 8.150 nan 0.000 0.444 35 V N 0.309 120.233 119.914 0.017 0.000 2.548 35 V HA -0.186 3.934 4.120 0.000 0.000 0.249 35 V C 2.285 178.388 176.094 0.014 0.000 1.055 35 V CA 2.159 64.469 62.300 0.017 0.000 1.065 35 V CB -0.696 31.140 31.823 0.020 0.000 0.681 35 V HN 0.658 nan 8.190 nan 0.000 0.462 36 D N 0.461 120.870 120.400 0.014 0.000 2.097 36 D HA -0.163 4.477 4.640 0.000 0.000 0.195 36 D C 2.039 178.345 176.300 0.010 0.000 0.989 36 D CA 1.501 55.508 54.000 0.012 0.000 0.827 36 D CB -0.167 40.640 40.800 0.012 0.000 0.966 36 D HN 0.369 nan 8.370 nan 0.000 0.456 37 L N -0.006 121.223 121.223 0.010 0.000 2.046 37 L HA -0.116 4.224 4.340 0.000 0.000 0.208 37 L C 2.623 179.498 176.870 0.008 0.000 1.077 37 L CA 1.164 56.009 54.840 0.009 0.000 0.747 37 L CB -0.566 41.498 42.059 0.009 0.000 0.896 37 L HN 0.061 nan 8.230 nan 0.000 0.432 38 A N 0.050 122.876 122.820 0.009 0.000 1.933 38 A HA -0.201 4.119 4.320 0.000 0.000 0.218 38 A C 2.400 179.989 177.584 0.008 0.000 1.175 38 A CA 1.822 53.864 52.037 0.009 0.000 0.628 38 A CB -0.642 18.364 19.000 0.010 0.000 0.814 38 A HN 0.503 nan 8.150 nan 0.000 0.444 39 S N -0.619 115.086 115.700 0.009 0.000 2.660 39 S HA 0.059 4.529 4.470 0.000 0.000 0.223 39 S C 0.312 174.916 174.600 0.007 0.000 0.963 39 S CA 0.826 59.031 58.200 0.008 0.000 0.932 39 S CB -0.667 62.539 63.200 0.009 0.000 0.775 39 S HN 0.603 nan 8.310 nan 0.000 0.531 40 E N -0.382 119.822 120.200 0.007 0.000 2.513 40 E HA -0.180 4.170 4.350 0.000 0.000 0.257 40 E C 0.716 177.319 176.600 0.006 0.000 1.098 40 E CA 0.242 56.646 56.400 0.006 0.000 0.752 40 E CB -2.150 27.553 29.700 0.005 0.000 1.324 40 E HN 1.025 nan 8.360 nan 0.000 0.403 41 G N -1.224 107.580 108.800 0.007 0.000 2.148 41 G HA2 -0.343 3.617 3.960 0.000 0.000 0.254 41 G HA3 -0.343 3.617 3.960 0.000 0.000 0.254 41 G C 0.999 175.903 174.900 0.007 0.000 0.981 41 G CA 0.785 45.889 45.100 0.007 0.000 0.670 41 G HN 0.863 nan 8.290 nan 0.000 0.528 42 A N -0.190 122.634 122.820 0.007 0.000 1.902 42 A HA 0.222 4.542 4.320 0.000 0.000 0.217 42 A C 2.359 179.948 177.584 0.008 0.000 1.181 42 A CA 1.833 53.874 52.037 0.007 0.000 0.623 42 A CB -0.276 18.728 19.000 0.007 0.000 0.818 42 A HN 0.765 nan 8.150 nan 0.000 0.443 43 I N -0.656 119.920 120.570 0.009 0.000 2.202 43 I HA -0.201 3.969 4.170 0.000 0.000 0.242 43 I C 2.723 178.845 176.117 0.009 0.000 1.091 43 I CA 1.325 62.631 61.300 0.010 0.000 1.368 43 I CB -0.289 37.718 38.000 0.012 0.000 1.058 43 I HN 0.215 nan 8.210 nan 0.000 0.410 44 S N 0.625 116.330 115.700 0.009 0.000 2.370 44 S HA -0.220 4.250 4.470 0.000 0.000 0.226 44 S C 2.256 176.860 174.600 0.007 0.000 1.033 44 S CA 1.481 59.686 58.200 0.008 0.000 1.011 44 S CB -0.377 62.827 63.200 0.007 0.000 0.852 44 S HN 0.548 nan 8.310 nan 0.000 0.457 45 A N 0.806 123.630 122.820 0.006 0.000 1.908 45 A HA -0.076 4.244 4.320 0.000 0.000 0.218 45 A C 2.336 179.924 177.584 0.006 0.000 1.181 45 A CA 1.689 53.729 52.037 0.005 0.000 0.627 45 A CB -0.877 18.127 19.000 0.005 0.000 0.818 45 A HN 0.364 nan 8.150 nan 0.000 0.445 46 V N 0.036 119.954 119.914 0.006 0.000 2.358 46 V HA -0.215 3.905 4.120 0.000 0.000 0.246 46 V C 2.539 178.636 176.094 0.006 0.000 1.047 46 V CA 1.767 64.071 62.300 0.006 0.000 1.035 46 V CB -0.719 31.108 31.823 0.007 0.000 0.658 46 V HN 0.571 nan 8.190 nan 0.000 0.452 47 L N 0.006 121.233 121.223 0.007 0.000 2.081 47 L HA -0.253 4.087 4.340 0.000 0.000 0.212 47 L C 2.527 179.401 176.870 0.006 0.000 1.080 47 L CA 1.909 56.753 54.840 0.007 0.000 0.754 47 L CB -0.623 41.441 42.059 0.008 0.000 0.893 47 L HN 0.319 nan 8.230 nan 0.000 0.433 48 K N 0.318 120.721 120.400 0.005 0.000 2.283 48 K HA -0.128 4.192 4.320 0.000 0.000 0.202 48 K C 2.110 178.713 176.600 0.004 0.000 1.048 48 K CA 0.826 57.115 56.287 0.005 0.000 0.948 48 K CB 0.094 32.597 32.500 0.004 0.000 0.742 48 K HN 0.249 nan 8.250 nan 0.000 0.458 49 R N -0.753 119.750 120.500 0.004 0.000 2.235 49 R HA -0.031 4.309 4.340 0.000 0.000 0.213 49 R C 1.079 177.381 176.300 0.004 0.000 1.059 49 R CA 0.832 56.935 56.100 0.004 0.000 0.997 49 R CB 0.011 30.314 30.300 0.004 0.000 0.884 49 R HN 0.484 nan 8.270 nan 0.000 0.462 50 G N 1.305 110.108 108.800 0.004 0.000 2.143 50 G HA2 -0.246 3.714 3.960 0.000 0.000 0.249 50 G HA3 -0.246 3.714 3.960 0.000 0.000 0.249 50 G C 0.253 175.156 174.900 0.004 0.000 0.981 50 G CA 0.449 45.552 45.100 0.004 0.000 0.665 50 G HN 0.282 nan 8.290 nan 0.000 0.528 51 D N -0.755 119.648 120.400 0.005 0.000 2.219 51 D HA 0.053 4.693 4.640 0.000 0.000 0.205 51 D C 1.278 177.581 176.300 0.005 0.000 0.970 51 D CA 0.732 54.735 54.000 0.005 0.000 0.851 51 D CB 0.180 40.983 40.800 0.005 0.000 0.943 51 D HN 0.494 nan 8.370 nan 0.000 0.488 52 L N 0.323 121.550 121.223 0.006 0.000 2.277 52 L HA 0.471 4.811 4.340 0.000 0.000 0.284 52 L C 0.842 177.716 176.870 0.007 0.000 1.028 52 L CA -0.463 54.382 54.840 0.008 0.000 0.835 52 L CB 1.203 43.268 42.059 0.009 0.000 1.215 52 L HN -0.153 nan 8.230 nan 0.000 0.425 53 A N 3.732 126.556 122.820 0.007 0.000 2.119 53 A HA 0.354 4.674 4.320 0.000 0.000 0.216 53 A C 1.574 179.162 177.584 0.008 0.000 1.152 53 A CA 0.657 52.698 52.037 0.006 0.000 0.708 53 A CB -0.755 18.248 19.000 0.005 0.000 0.805 53 A HN 1.614 nan 8.150 nan 0.000 0.460 54 G N -0.508 108.298 108.800 0.010 0.000 2.143 54 G HA2 -0.269 3.691 3.960 0.000 0.000 0.248 54 G HA3 -0.269 3.691 3.960 0.000 0.000 0.248 54 G C 0.132 175.041 174.900 0.015 0.000 0.991 54 G CA 0.492 45.600 45.100 0.014 0.000 0.689 54 G HN 0.619 nan 8.290 nan 0.000 0.522 55 K N 0.528 120.935 120.400 0.012 0.000 2.258 55 K HA 0.352 4.672 4.320 0.000 0.000 0.264 55 K C -2.349 174.261 176.600 0.018 0.000 1.007 55 K CA -1.647 54.647 56.287 0.012 0.000 0.941 55 K CB 0.484 32.988 32.500 0.008 0.000 0.966 55 K HN -0.001 nan 8.250 nan 0.000 0.480 56 P HA -0.091 nan 4.420 nan 0.000 0.261 56 P C 0.547 177.860 177.300 0.023 0.000 1.183 56 P CA 1.083 64.203 63.100 0.033 0.000 0.761 56 P CB 0.426 32.149 31.700 0.039 0.000 0.785 57 G N 2.000 110.815 108.800 0.024 0.000 2.212 57 G HA2 -0.290 3.670 3.960 0.000 0.000 0.266 57 G HA3 -0.290 3.670 3.960 0.000 0.000 0.266 57 G C 0.272 175.175 174.900 0.005 0.000 0.978 57 G CA -0.207 44.897 45.100 0.007 0.000 0.632 57 G HN 0.557 nan 8.290 nan 0.000 0.537 58 Q N 0.922 120.728 119.800 0.009 0.000 2.421 58 Q HA 0.498 4.838 4.340 0.000 0.000 0.255 58 Q C 0.653 176.658 176.000 0.009 0.000 1.013 58 Q CA 1.038 56.846 55.803 0.008 0.000 0.895 58 Q CB 0.671 29.415 28.738 0.009 0.000 1.271 58 Q HN 0.606 nan 8.270 nan 0.000 0.460 59 T N -0.978 113.580 114.554 0.007 0.000 2.903 59 T HA 0.737 5.087 4.350 0.000 0.000 0.299 59 T C -1.012 173.692 174.700 0.008 0.000 1.093 59 T CA -0.935 61.169 62.100 0.008 0.000 1.002 59 T CB 1.145 70.016 68.868 0.005 0.000 1.127 59 T HN 0.513 nan 8.240 nan 0.000 0.488 60 L N 2.131 123.359 121.223 0.009 0.000 2.516 60 L HA 0.687 5.027 4.340 0.000 0.000 0.267 60 L C -1.914 174.961 176.870 0.009 0.000 0.957 60 L CA -1.150 53.695 54.840 0.008 0.000 0.860 60 L CB 1.849 43.913 42.059 0.009 0.000 1.265 60 L HN 0.792 nan 8.230 nan 0.000 0.403 61 L N 5.597 126.824 121.223 0.007 0.000 2.287 61 L HA 0.616 4.956 4.340 0.000 0.000 0.287 61 L C -1.247 175.627 176.870 0.007 0.000 1.022 61 L CA 0.009 54.853 54.840 0.007 0.000 0.814 61 L CB 1.374 43.436 42.059 0.006 0.000 1.217 61 L HN 0.539 nan 8.230 nan 0.000 0.420 62 L N 4.369 125.597 121.223 0.008 0.000 2.334 62 L HA 0.543 4.883 4.340 0.000 0.000 0.272 62 L C 0.193 177.068 176.870 0.007 0.000 1.020 62 L CA -0.887 53.957 54.840 0.007 0.000 0.812 62 L CB 1.488 43.552 42.059 0.009 0.000 1.264 62 L HN 0.588 nan 8.230 nan 0.000 0.439 63 Q N 0.554 120.357 119.800 0.006 0.000 2.179 63 Q HA 0.263 4.603 4.340 0.000 0.000 0.174 63 Q C -0.603 175.400 176.000 0.006 0.000 1.044 63 Q CA -0.847 54.959 55.803 0.005 0.000 1.105 63 Q CB 0.183 28.924 28.738 0.004 0.000 1.213 63 Q HN 0.394 nan 8.270 nan 0.000 0.574 64 N N 0.887 119.590 118.700 0.005 0.000 2.365 64 N HA 0.040 4.780 4.740 0.000 0.000 0.265 64 N C -0.701 174.813 175.510 0.006 0.000 1.288 64 N CA 0.525 53.578 53.050 0.005 0.000 0.869 64 N CB -0.042 38.448 38.487 0.004 0.000 1.071 64 N HN 0.252 nan 8.380 nan 0.000 0.480 65 L N 1.493 122.720 121.223 0.006 0.000 2.322 65 L HA 0.332 4.672 4.340 0.000 0.000 0.281 65 L C 0.797 177.671 176.870 0.006 0.000 1.014 65 L CA -0.828 54.016 54.840 0.006 0.000 0.815 65 L CB 1.565 43.628 42.059 0.007 0.000 1.247 65 L HN 0.409 nan 8.230 nan 0.000 0.421 66 Q N 1.823 121.627 119.800 0.005 0.000 2.283 66 Q HA 0.170 4.510 4.340 0.000 0.000 0.301 66 Q C 1.043 177.046 176.000 0.006 0.000 1.063 66 Q CA 1.400 57.206 55.803 0.005 0.000 0.952 66 Q CB 0.428 29.168 28.738 0.004 0.000 1.166 66 Q HN 0.914 nan 8.270 nan 0.000 0.381 67 G N 2.998 111.801 108.800 0.005 0.000 2.232 67 G HA2 -0.216 3.744 3.960 0.000 0.000 0.226 67 G HA3 -0.216 3.744 3.960 0.000 0.000 0.226 67 G C -0.155 174.749 174.900 0.007 0.000 0.996 67 G CA 0.051 45.155 45.100 0.006 0.000 0.626 67 G HN 0.521 nan 8.290 nan 0.000 0.509 68 L N -0.505 120.723 121.223 0.007 0.000 2.332 68 L HA 0.627 4.967 4.340 0.000 0.000 0.269 68 L C 1.291 178.166 176.870 0.007 0.000 1.016 68 L CA -0.944 53.901 54.840 0.008 0.000 0.809 68 L CB 1.544 43.609 42.059 0.010 0.000 1.280 68 L HN -0.017 nan 8.230 nan 0.000 0.447 69 K N 0.531 120.936 120.400 0.008 0.000 2.367 69 K HA 0.250 4.570 4.320 0.000 0.000 0.194 69 K C 0.383 176.987 176.600 0.007 0.000 1.027 69 K CA -0.093 56.198 56.287 0.007 0.000 1.075 69 K CB 0.678 33.182 32.500 0.006 0.000 0.845 69 K HN 0.652 nan 8.250 nan 0.000 0.529 70 A N 1.458 124.283 122.820 0.009 0.000 2.401 70 A HA 0.076 4.396 4.320 0.000 0.000 0.259 70 A C 0.536 178.124 177.584 0.008 0.000 1.103 70 A CA -0.248 51.795 52.037 0.009 0.000 0.789 70 A CB 0.356 19.363 19.000 0.012 0.000 1.035 70 A HN 0.238 nan 8.150 nan 0.000 0.491 71 E N 0.954 121.159 120.200 0.007 0.000 2.150 71 E HA -0.094 4.256 4.350 0.000 0.000 0.193 71 E C 0.206 176.809 176.600 0.007 0.000 0.985 71 E CA 0.936 57.339 56.400 0.006 0.000 0.814 71 E CB 0.105 29.808 29.700 0.005 0.000 0.752 71 E HN 0.649 nan 8.360 nan 0.000 0.466 72 R N -0.322 120.183 120.500 0.008 0.000 2.740 72 R HA 0.474 4.814 4.340 0.000 0.000 0.273 72 R C -1.481 174.825 176.300 0.011 0.000 0.998 72 R CA -0.633 55.472 56.100 0.008 0.000 0.900 72 R CB 2.591 32.895 30.300 0.008 0.000 1.223 72 R HN -0.181 nan 8.270 nan 0.000 0.466 73 V N 2.900 122.821 119.914 0.011 0.000 2.487 73 V HA 0.363 4.483 4.120 0.000 0.000 0.298 73 V C -0.990 175.112 176.094 0.014 0.000 1.028 73 V CA -0.819 61.489 62.300 0.014 0.000 0.860 73 V CB 1.715 33.546 31.823 0.015 0.000 0.991 73 V HN 0.473 nan 8.190 nan 0.000 0.427 74 L N 6.706 127.938 121.223 0.016 0.000 2.272 74 L HA 0.578 4.918 4.340 0.000 0.000 0.289 74 L C -0.501 176.381 176.870 0.020 0.000 1.032 74 L CA 0.131 54.980 54.840 0.015 0.000 0.810 74 L CB 1.028 43.095 42.059 0.013 0.000 1.205 74 L HN 0.520 nan 8.230 nan 0.000 0.422 75 L N 6.029 127.263 121.223 0.019 0.000 2.305 75 L HA 0.549 4.889 4.340 0.000 0.000 0.281 75 L C -0.302 176.581 176.870 0.022 0.000 1.085 75 L CA -0.622 54.231 54.840 0.022 0.000 0.813 75 L CB 1.472 43.542 42.059 0.018 0.000 1.157 75 L HN 0.465 nan 8.230 nan 0.000 0.436 76 V N 2.564 122.496 119.914 0.030 0.000 2.656 76 V HA 0.674 4.794 4.120 0.000 0.000 0.307 76 V C 0.366 176.482 176.094 0.037 0.000 1.051 76 V CA -0.348 61.969 62.300 0.029 0.000 0.893 76 V CB 2.013 33.854 31.823 0.030 0.000 0.999 76 V HN 0.817 nan 8.190 nan 0.000 0.426 77 G N 3.543 112.361 108.800 0.030 0.000 2.398 77 G HA2 0.379 4.339 3.960 0.000 0.000 0.246 77 G HA3 0.379 4.339 3.960 0.000 0.000 0.246 77 G C 0.689 175.616 174.900 0.046 0.000 1.289 77 G CA 0.354 45.473 45.100 0.031 0.000 0.869 77 G HN 1.411 nan 8.290 nan 0.000 0.543 78 S N 0.842 116.568 115.700 0.044 0.000 2.666 78 S HA 0.530 5.000 4.470 0.000 0.000 0.239 78 S C 1.241 175.862 174.600 0.036 0.000 1.031 78 S CA 0.571 58.805 58.200 0.057 0.000 1.015 78 S CB 0.026 63.258 63.200 0.054 0.000 0.981 78 S HN 2.258 nan 8.310 nan 0.000 0.547 79 G N 2.128 110.943 108.800 0.025 0.000 2.584 79 G HA2 -0.197 3.763 3.960 0.000 0.000 0.229 79 G HA3 -0.197 3.763 3.960 0.000 0.000 0.229 79 G C -0.539 174.366 174.900 0.007 0.000 1.320 79 G CA -0.370 44.739 45.100 0.015 0.000 0.891 79 G HN 0.532 nan 8.290 nan 0.000 0.573 80 K N -0.405 119.996 120.400 0.002 0.000 2.233 80 K HA 0.323 4.643 4.320 0.000 0.000 0.239 80 K C 0.429 177.025 176.600 -0.008 0.000 1.064 80 K CA -0.026 56.259 56.287 -0.003 0.000 0.884 80 K CB 0.202 32.699 32.500 -0.005 0.000 1.166 80 K HN 0.392 nan 8.250 nan 0.000 0.512 81 D N 1.780 122.174 120.400 -0.010 0.000 2.400 81 D HA -0.025 4.615 4.640 0.000 0.000 0.243 81 D C -0.668 175.619 176.300 -0.022 0.000 1.184 81 D CA 0.246 54.237 54.000 -0.015 0.000 0.853 81 D CB -0.234 40.559 40.800 -0.012 0.000 0.944 81 D HN 0.355 nan 8.370 nan 0.000 0.501 82 E N -1.290 118.895 120.200 -0.024 0.000 2.299 82 E HA 0.672 5.022 4.350 0.000 0.000 0.265 82 E C -0.693 175.881 176.600 -0.044 0.000 0.911 82 E CA -1.404 54.977 56.400 -0.032 0.000 0.789 82 E CB 1.374 31.060 29.700 -0.024 0.000 1.246 82 E HN -0.069 nan 8.360 nan 0.000 0.427 83 A N 2.533 125.318 122.820 -0.058 0.000 2.498 83 A HA 0.237 4.557 4.320 0.000 0.000 0.239 83 A C 0.143 177.685 177.584 -0.070 0.000 1.068 83 A CA -0.241 51.744 52.037 -0.086 0.000 0.766 83 A CB -0.060 18.883 19.000 -0.096 0.000 1.003 83 A HN 0.561 nan 8.150 nan 0.000 0.497 84 L N 2.138 123.309 121.223 -0.087 0.000 2.395 84 L HA 0.463 4.803 4.340 0.000 0.000 0.269 84 L C 1.303 178.154 176.870 -0.032 0.000 1.133 84 L CA -0.398 54.422 54.840 -0.034 0.000 0.812 84 L CB 0.757 42.828 42.059 0.019 0.000 1.125 84 L HN 0.861 nan 8.230 nan 0.000 0.452 85 G N 0.173 108.976 108.800 0.004 0.000 2.599 85 G HA2 0.068 4.028 3.960 0.000 0.000 0.264 85 G HA3 0.068 4.028 3.960 0.000 0.000 0.264 85 G C 0.277 175.215 174.900 0.062 0.000 1.200 85 G CA -0.366 44.741 45.100 0.011 0.000 0.896 85 G HN 0.708 nan 8.290 nan 0.000 0.536 86 D N -0.384 120.053 120.400 0.062 0.000 2.123 86 D HA -0.111 4.529 4.640 0.000 0.000 0.196 86 D C 2.454 178.824 176.300 0.117 0.000 0.992 86 D CA 0.902 54.974 54.000 0.120 0.000 0.833 86 D CB 0.032 40.877 40.800 0.074 0.000 0.954 86 D HN 0.309 nan 8.370 nan 0.000 0.455 87 R N 0.177 120.708 120.500 0.052 0.000 2.081 87 R HA -0.033 4.307 4.340 0.000 0.000 0.235 87 R C 2.153 178.474 176.300 0.036 0.000 1.131 87 R CA 1.541 57.653 56.100 0.021 0.000 0.960 87 R CB -0.866 29.422 30.300 -0.019 0.000 0.856 87 R HN 0.091 nan 8.270 nan 0.000 0.436 88 T N -0.161 114.430 114.554 0.060 0.000 2.821 88 T HA -0.150 4.200 4.350 0.000 0.000 0.267 88 T C 1.343 176.128 174.700 0.141 0.000 1.046 88 T CA 1.215 63.357 62.100 0.071 0.000 1.139 88 T CB -0.380 68.527 68.868 0.066 0.000 0.871 88 T HN 0.492 nan 8.240 nan 0.000 0.454 89 W N 2.365 123.635 121.300 -0.049 0.000 2.355 89 W HA -0.158 4.502 4.660 0.000 0.000 0.309 89 W C 2.150 178.637 176.519 -0.054 0.000 1.206 89 W CA 0.769 58.078 57.345 -0.061 0.000 1.284 89 W CB -0.146 29.266 29.460 -0.079 0.000 1.145 89 W HN 0.163 nan 8.180 nan 0.000 0.502 90 R N 0.455 120.883 120.500 -0.120 0.000 2.081 90 R HA -0.147 4.193 4.340 0.000 0.000 0.235 90 R C 2.305 178.479 176.300 -0.210 0.000 1.131 90 R CA 1.719 57.652 56.100 -0.278 0.000 0.960 90 R CB -0.482 29.739 30.300 -0.131 0.000 0.856 90 R HN 0.169 nan 8.270 nan 0.000 0.436 91 K N 0.736 121.074 120.400 -0.104 0.000 2.063 91 K HA -0.121 4.199 4.320 0.000 0.000 0.208 91 K C 2.105 178.649 176.600 -0.093 0.000 1.048 91 K CA 0.905 57.145 56.287 -0.077 0.000 0.928 91 K CB -0.249 32.230 32.500 -0.034 0.000 0.713 91 K HN 0.134 nan 8.250 nan 0.000 0.442 92 L N 1.430 122.596 121.223 -0.095 0.000 2.012 92 L HA -0.185 4.155 4.340 0.000 0.000 0.210 92 L C 2.109 178.869 176.870 -0.183 0.000 1.073 92 L CA 1.767 56.552 54.840 -0.091 0.000 0.748 92 L CB -0.665 41.391 42.059 -0.006 0.000 0.891 92 L HN -0.011 nan 8.230 nan 0.000 0.431 93 V N 0.683 120.377 119.914 -0.367 0.000 2.343 93 V HA -0.250 3.870 4.120 0.000 0.000 0.247 93 V C 3.013 178.985 176.094 -0.203 0.000 1.051 93 V CA 1.586 63.664 62.300 -0.369 0.000 1.036 93 V CB -1.222 30.252 31.823 -0.582 0.000 0.654 93 V HN 0.596 nan 8.190 nan 0.000 0.451 94 A N -0.415 122.303 122.820 -0.170 0.000 1.933 94 A HA -0.194 4.126 4.320 0.000 0.000 0.218 94 A C 2.479 180.023 177.584 -0.068 0.000 1.175 94 A CA 2.106 54.084 52.037 -0.099 0.000 0.628 94 A CB -0.640 18.313 19.000 -0.079 0.000 0.814 94 A HN 0.508 nan 8.150 nan 0.000 0.444 95 S N -0.438 115.222 115.700 -0.068 0.000 2.370 95 S HA -0.142 4.328 4.470 0.000 0.000 0.226 95 S C 1.894 176.472 174.600 -0.037 0.000 1.033 95 S CA 1.478 59.653 58.200 -0.042 0.000 1.011 95 S CB -0.471 62.709 63.200 -0.033 0.000 0.852 95 S HN 0.356 nan 8.310 nan 0.000 0.457 96 V N 1.913 121.796 119.914 -0.052 0.000 2.295 96 V HA -0.193 3.927 4.120 0.000 0.000 0.246 96 V C 2.644 178.719 176.094 -0.031 0.000 1.049 96 V CA 1.707 63.984 62.300 -0.038 0.000 1.024 96 V CB -1.175 30.620 31.823 -0.047 0.000 0.648 96 V HN 0.544 nan 8.190 nan 0.000 0.447 97 A N 0.397 123.191 122.820 -0.043 0.000 1.933 97 A HA -0.110 4.210 4.320 0.000 0.000 0.218 97 A C 2.406 179.980 177.584 -0.016 0.000 1.175 97 A CA 1.955 53.974 52.037 -0.029 0.000 0.628 97 A CB -1.195 17.783 19.000 -0.037 0.000 0.814 97 A HN 0.540 nan 8.150 nan 0.000 0.444 98 G N -0.613 108.177 108.800 -0.017 0.000 2.418 98 G HA2 -0.115 3.845 3.960 0.000 0.000 0.217 98 G HA3 -0.115 3.845 3.960 0.000 0.000 0.217 98 G C 1.515 176.411 174.900 -0.006 0.000 1.158 98 G CA 1.251 46.346 45.100 -0.009 0.000 0.771 98 G HN 0.318 nan 8.290 nan 0.000 0.545 99 V N 1.092 121.001 119.914 -0.008 0.000 2.307 99 V HA -0.115 4.006 4.120 0.000 0.000 0.245 99 V C 2.932 179.025 176.094 -0.002 0.000 1.045 99 V CA 1.547 63.845 62.300 -0.004 0.000 1.024 99 V CB -0.471 31.350 31.823 -0.003 0.000 0.651 99 V HN 0.358 nan 8.190 nan 0.000 0.449 100 L N -0.458 120.763 121.223 -0.003 0.000 2.079 100 L HA -0.209 4.131 4.340 0.000 0.000 0.210 100 L C 2.489 179.359 176.870 -0.000 0.000 1.081 100 L CA 1.669 56.508 54.840 -0.001 0.000 0.752 100 L CB -0.762 41.297 42.059 -0.001 0.000 0.896 100 L HN 0.275 nan 8.230 nan 0.000 0.433 101 K N 0.145 120.545 120.400 -0.001 0.000 2.280 101 K HA -0.076 4.244 4.320 0.000 0.000 0.202 101 K C 1.949 178.549 176.600 0.000 0.000 1.047 101 K CA 1.037 57.324 56.287 0.001 0.000 0.942 101 K CB -0.225 32.276 32.500 0.002 0.000 0.739 101 K HN 0.423 nan 8.250 nan 0.000 0.457 102 G N 0.551 109.351 108.800 0.000 0.000 2.777 102 G HA2 0.076 4.036 3.960 0.000 0.000 0.211 102 G HA3 0.076 4.036 3.960 0.000 0.000 0.211 102 G C 0.577 175.477 174.900 -0.000 0.000 1.149 102 G CA -0.132 44.968 45.100 0.000 0.000 0.785 102 G HN -0.009 nan 8.290 nan 0.000 0.536 103 L N -0.378 120.845 121.223 0.000 0.000 2.431 103 L HA 0.350 4.690 4.340 0.000 0.000 0.260 103 L C 0.799 177.669 176.870 -0.000 0.000 1.098 103 L CA -0.771 54.069 54.840 0.001 0.000 0.800 103 L CB 0.943 43.002 42.059 0.002 0.000 1.210 103 L HN -0.083 nan 8.230 nan 0.000 0.465 104 N N -0.023 118.677 118.700 -0.000 0.000 2.327 104 N HA 0.131 4.871 4.740 0.000 0.000 0.231 104 N C -0.075 175.435 175.510 0.000 0.000 1.130 104 N CA -0.156 52.893 53.050 -0.001 0.000 0.845 104 N CB 0.284 38.770 38.487 -0.001 0.000 1.073 104 N HN 0.686 nan 8.380 nan 0.000 0.496 105 G N -1.165 107.636 108.800 0.001 0.000 2.372 105 G HA2 0.485 4.445 3.960 0.000 0.000 0.283 105 G HA3 0.485 4.445 3.960 0.000 0.000 0.283 105 G C 0.687 175.588 174.900 0.002 0.000 1.177 105 G CA -0.317 44.784 45.100 0.002 0.000 0.842 105 G HN 0.271 nan 8.290 nan 0.000 0.503 106 A N 1.641 124.462 122.820 0.002 0.000 2.169 106 A HA 0.307 4.627 4.320 0.000 0.000 0.212 106 A C 0.934 178.520 177.584 0.003 0.000 1.153 106 A CA 1.335 53.373 52.037 0.002 0.000 0.756 106 A CB -0.133 18.867 19.000 0.001 0.000 0.813 106 A HN 0.748 nan 8.150 nan 0.000 0.471 107 D N -3.034 117.368 120.400 0.004 0.000 2.664 107 D HA 0.695 5.335 4.640 0.000 0.000 0.292 107 D C -0.697 175.608 176.300 0.008 0.000 1.214 107 D CA 0.011 54.014 54.000 0.006 0.000 0.932 107 D CB 0.968 41.771 40.800 0.006 0.000 1.420 107 D HN 0.452 nan 8.370 nan 0.000 0.471 108 A N -0.660 122.167 122.820 0.010 0.000 2.612 108 A HA 0.633 4.953 4.320 0.000 0.000 0.293 108 A C -1.765 175.829 177.584 0.018 0.000 1.075 108 A CA -0.716 51.329 52.037 0.014 0.000 0.680 108 A CB 1.739 20.747 19.000 0.013 0.000 1.279 108 A HN 0.528 nan 8.150 nan 0.000 0.411 109 V N 1.817 121.745 119.914 0.022 0.000 2.444 109 V HA 0.433 4.553 4.120 0.000 0.000 0.294 109 V C -0.571 175.549 176.094 0.042 0.000 1.022 109 V CA -0.273 62.044 62.300 0.029 0.000 0.850 109 V CB 1.349 33.187 31.823 0.025 0.000 0.992 109 V HN 0.700 nan 8.190 nan 0.000 0.426 110 L N 4.494 125.753 121.223 0.060 0.000 2.265 110 L HA 0.699 5.039 4.340 0.000 0.000 0.289 110 L C 0.492 177.431 176.870 0.115 0.000 1.033 110 L CA -0.346 54.548 54.840 0.090 0.000 0.814 110 L CB 1.502 43.633 42.059 0.120 0.000 1.203 110 L HN 0.735 nan 8.230 nan 0.000 0.423 111 A N 5.790 128.675 122.820 0.109 0.000 3.047 111 A HA 0.532 4.852 4.320 0.000 0.000 0.337 111 A C 0.264 177.931 177.584 0.138 0.000 1.143 111 A CA -0.308 51.797 52.037 0.112 0.000 0.905 111 A CB -0.127 18.917 19.000 0.073 0.000 1.088 111 A HN 0.797 nan 8.150 nan 0.000 0.488 112 L N 0.123 121.471 121.223 0.208 0.000 3.017 112 L HA 0.163 4.503 4.340 0.000 0.000 0.255 112 L C 1.254 178.239 176.870 0.191 0.000 1.247 112 L CA -0.034 54.936 54.840 0.215 0.000 1.038 112 L CB 0.292 42.548 42.059 0.328 0.000 1.380 112 L HN 0.607 nan 8.230 nan 0.000 0.548 113 D N 0.813 121.325 120.400 0.187 0.000 2.221 113 D HA -0.223 4.417 4.640 0.000 0.000 0.204 113 D C 1.469 177.800 176.300 0.050 0.000 0.982 113 D CA 1.375 55.472 54.000 0.162 0.000 0.857 113 D CB 0.386 41.276 40.800 0.150 0.000 0.934 113 D HN 0.230 nan 8.370 nan 0.000 0.475 114 D N -0.528 119.892 120.400 0.035 0.000 2.347 114 D HA -0.019 4.621 4.640 0.000 0.000 0.213 114 D C 0.076 176.341 176.300 -0.060 0.000 0.985 114 D CA 0.131 54.127 54.000 -0.008 0.000 0.879 114 D CB 0.261 41.066 40.800 0.008 0.000 0.919 114 D HN 0.089 nan 8.370 nan 0.000 0.526 115 V N 1.843 121.703 119.914 -0.089 0.000 2.421 115 V HA 0.244 4.364 4.120 0.000 0.000 0.271 115 V C 0.678 176.568 176.094 -0.340 0.000 1.031 115 V CA -0.695 61.495 62.300 -0.184 0.000 1.032 115 V CB 0.422 32.137 31.823 -0.181 0.000 1.009 115 V HN 0.058 nan 8.190 nan 0.000 0.477 116 A N 5.787 128.450 122.820 -0.262 0.000 2.363 116 A HA 0.662 4.982 4.320 0.000 0.000 0.270 116 A C -0.310 177.058 177.584 -0.360 0.000 1.121 116 A CA -0.359 51.507 52.037 -0.286 0.000 0.800 116 A CB 0.703 19.597 19.000 -0.176 0.000 1.052 116 A HN 0.676 nan 8.150 nan 0.000 0.493 117 V N 3.549 123.207 119.914 -0.428 0.000 2.384 117 V HA 0.177 4.297 4.120 0.000 0.000 0.287 117 V C 0.291 176.251 176.094 -0.224 0.000 1.020 117 V CA -0.989 61.069 62.300 -0.403 0.000 0.850 117 V CB 1.288 32.713 31.823 -0.664 0.000 0.987 117 V HN 0.963 nan 8.190 nan 0.000 0.436 118 N N 4.122 122.736 118.700 -0.144 0.000 2.357 118 N HA -0.042 4.699 4.740 0.000 0.000 0.257 118 N C 0.797 176.264 175.510 -0.070 0.000 1.250 118 N CA 0.997 53.994 53.050 -0.089 0.000 0.862 118 N CB -0.262 38.190 38.487 -0.058 0.000 1.066 118 N HN 0.766 nan 8.380 nan 0.000 0.468 119 N N 0.939 119.606 118.700 -0.056 0.000 2.714 119 N HA -0.223 4.517 4.740 0.000 0.000 0.250 119 N C -1.422 174.070 175.510 -0.030 0.000 1.117 119 N CA 0.878 53.909 53.050 -0.032 0.000 0.719 119 N CB -0.444 38.035 38.487 -0.013 0.000 1.081 119 N HN 0.554 nan 8.380 nan 0.000 0.557 120 R N 0.610 121.072 120.500 -0.063 0.000 2.575 120 R HA 0.235 4.575 4.340 0.000 0.000 0.293 120 R C -0.643 175.612 176.300 -0.075 0.000 0.983 120 R CA -0.668 55.399 56.100 -0.055 0.000 0.887 120 R CB 1.216 31.456 30.300 -0.101 0.000 1.184 120 R HN 0.273 nan 8.270 nan 0.000 0.445 121 D N 1.373 121.763 120.400 -0.017 0.000 2.368 121 D HA 0.036 4.676 4.640 0.000 0.000 0.240 121 D C 0.872 177.111 176.300 -0.102 0.000 1.169 121 D CA -0.333 53.646 54.000 -0.036 0.000 0.906 121 D CB 0.709 41.536 40.800 0.044 0.000 1.187 121 D HN 0.474 nan 8.370 nan 0.000 0.435 122 A N 0.659 123.338 122.820 -0.235 0.000 2.168 122 A HA -0.120 4.200 4.320 0.000 0.000 0.215 122 A C 1.368 178.775 177.584 -0.295 0.000 1.152 122 A CA 0.887 52.695 52.037 -0.381 0.000 0.716 122 A CB -0.527 18.153 19.000 -0.534 0.000 0.794 122 A HN 0.665 nan 8.150 nan 0.000 0.465 123 H N -3.852 115.337 119.070 0.198 0.000 2.426 123 H HA 0.124 4.680 4.556 0.000 0.000 0.286 123 H C 1.665 177.195 175.328 0.336 0.000 0.990 123 H CA 1.275 57.487 56.048 0.273 0.000 1.237 123 H CB -0.446 29.408 29.762 0.152 0.000 1.466 123 H HN 0.535 nan 8.280 nan 0.000 0.525 124 Y N 1.370 121.815 120.300 0.240 0.000 2.222 124 Y HA 0.178 4.728 4.550 0.000 0.000 0.290 124 Y C 2.615 178.614 175.900 0.164 0.000 1.123 124 Y CA 1.484 59.692 58.100 0.181 0.000 1.120 124 Y CB -0.503 38.029 38.460 0.119 0.000 1.060 124 Y HN 0.127 nan 8.280 nan 0.000 0.508 125 G N 0.501 109.387 108.800 0.144 0.000 2.418 125 G HA2 -0.294 3.666 3.960 0.000 0.000 0.217 125 G HA3 -0.294 3.666 3.960 0.000 0.000 0.217 125 G C 1.697 176.580 174.900 -0.028 0.000 1.158 125 G CA 1.022 46.127 45.100 0.009 0.000 0.771 125 G HN 0.398 nan 8.290 nan 0.000 0.545 126 K N -0.653 119.717 120.400 -0.051 0.000 2.026 126 K HA -0.113 4.207 4.320 0.000 0.000 0.208 126 K C 2.104 178.693 176.600 -0.018 0.000 1.048 126 K CA 1.251 57.435 56.287 -0.172 0.000 0.929 126 K CB -0.302 31.936 32.500 -0.437 0.000 0.713 126 K HN 0.416 nan 8.250 nan 0.000 0.439 127 Y N 0.330 120.696 120.300 0.109 0.000 2.475 127 Y HA 0.084 4.634 4.550 0.000 0.000 0.289 127 Y C 2.291 178.190 175.900 -0.001 0.000 1.121 127 Y CA 0.168 58.338 58.100 0.116 0.000 1.257 127 Y CB 0.180 38.697 38.460 0.095 0.000 1.026 127 Y HN -0.022 nan 8.280 nan 0.000 0.555 128 R N -0.049 120.428 120.500 -0.040 0.000 2.096 128 R HA -0.181 4.159 4.340 0.000 0.000 0.240 128 R C 1.903 178.201 176.300 -0.003 0.000 1.139 128 R CA 1.251 57.283 56.100 -0.113 0.000 0.952 128 R CB -0.896 29.248 30.300 -0.260 0.000 0.854 128 R HN 0.333 nan 8.270 nan 0.000 0.436 129 L N 0.424 121.678 121.223 0.051 0.000 2.072 129 L HA -0.068 4.273 4.340 0.000 0.000 0.205 129 L C 2.482 179.329 176.870 -0.038 0.000 1.079 129 L CA 1.071 55.943 54.840 0.053 0.000 0.752 129 L CB -0.775 41.393 42.059 0.181 0.000 0.906 129 L HN 0.128 nan 8.230 nan 0.000 0.436 130 L N -0.829 120.385 121.223 -0.014 0.000 2.017 130 L HA -0.199 4.141 4.340 0.000 0.000 0.208 130 L C 2.513 179.349 176.870 -0.056 0.000 1.073 130 L CA 1.673 56.404 54.840 -0.182 0.000 0.745 130 L CB -0.340 41.669 42.059 -0.083 0.000 0.894 130 L HN 0.224 nan 8.230 nan 0.000 0.432 131 A N -0.619 122.232 122.820 0.051 0.000 1.898 131 A HA -0.269 4.051 4.320 0.000 0.000 0.216 131 A C 2.235 179.828 177.584 0.015 0.000 1.181 131 A CA 1.746 53.813 52.037 0.049 0.000 0.620 131 A CB -0.701 18.345 19.000 0.077 0.000 0.819 131 A HN 0.638 nan 8.150 nan 0.000 0.442 132 E N -0.741 119.463 120.200 0.007 0.000 2.077 132 E HA -0.168 4.182 4.350 0.000 0.000 0.193 132 E C 1.939 178.529 176.600 -0.016 0.000 0.989 132 E CA 1.659 58.060 56.400 0.002 0.000 0.800 132 E CB -0.154 29.548 29.700 0.003 0.000 0.746 132 E HN 0.534 nan 8.360 nan 0.000 0.452 133 T N 1.398 115.921 114.554 -0.052 0.000 2.708 133 T HA -0.163 4.187 4.350 0.000 0.000 0.266 133 T C 1.760 176.428 174.700 -0.053 0.000 1.037 133 T CA 1.160 63.218 62.100 -0.072 0.000 1.146 133 T CB -0.279 68.502 68.868 -0.144 0.000 0.865 133 T HN 0.129 nan 8.240 nan 0.000 0.435 134 L N 0.815 122.003 121.223 -0.057 0.000 2.012 134 L HA 0.012 4.352 4.340 0.000 0.000 0.210 134 L C 2.135 179.007 176.870 0.003 0.000 1.073 134 L CA 1.716 56.537 54.840 -0.032 0.000 0.748 134 L CB -0.637 41.407 42.059 -0.025 0.000 0.891 134 L HN 0.248 nan 8.230 nan 0.000 0.431 135 L N -0.892 120.340 121.223 0.016 0.000 2.072 135 L HA -0.142 4.198 4.340 0.000 0.000 0.205 135 L C 2.243 179.149 176.870 0.060 0.000 1.079 135 L CA 1.416 56.280 54.840 0.039 0.000 0.752 135 L CB -0.625 41.459 42.059 0.042 0.000 0.906 135 L HN 0.326 nan 8.230 nan 0.000 0.436 136 D N 0.134 120.563 120.400 0.048 0.000 2.178 136 D HA -0.139 4.501 4.640 0.000 0.000 0.202 136 D C 2.108 178.459 176.300 0.085 0.000 0.974 136 D CA 1.172 55.209 54.000 0.061 0.000 0.841 136 D CB 0.025 40.834 40.800 0.016 0.000 0.953 136 D HN 0.203 nan 8.370 nan 0.000 0.478 137 G N -0.285 108.547 108.800 0.054 0.000 2.559 137 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 137 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 137 G C 1.384 176.332 174.900 0.080 0.000 1.126 137 G CA 0.160 45.293 45.100 0.056 0.000 0.778 137 G HN 0.214 nan 8.290 nan 0.000 0.543 138 E N -0.484 119.769 120.200 0.089 0.000 2.427 138 E HA -0.013 4.337 4.350 0.000 0.000 0.196 138 E C 0.126 176.789 176.600 0.106 0.000 1.028 138 E CA -0.462 55.985 56.400 0.078 0.000 0.864 138 E CB -0.087 29.650 29.700 0.061 0.000 0.813 138 E HN 0.586 nan 8.360 nan 0.000 0.514 139 Y N 1.243 121.566 120.300 0.038 0.000 2.717 139 Y HA -0.019 4.531 4.550 0.000 0.000 0.330 139 Y C -0.250 175.692 175.900 0.071 0.000 1.217 139 Y CA 0.209 58.344 58.100 0.059 0.000 1.506 139 Y CB 0.437 38.933 38.460 0.059 0.000 1.268 139 Y HN -0.343 nan 8.280 nan 0.000 0.561 140 V N 8.250 127.833 119.914 -0.552 0.000 2.709 140 V HA 0.290 4.410 4.120 0.000 0.000 0.308 140 V C -1.183 174.594 176.094 -0.529 0.000 1.062 140 V CA -1.016 61.053 62.300 -0.386 0.000 0.901 140 V CB 1.740 33.450 31.823 -0.189 0.000 1.003 140 V HN 0.669 nan 8.190 nan 0.000 0.425 141 F N 5.038 124.752 119.950 -0.394 0.000 2.564 141 F HA 0.452 4.980 4.527 0.000 0.000 0.361 141 F C 0.402 176.159 175.800 -0.073 0.000 1.161 141 F CA -0.608 57.262 58.000 -0.217 0.000 1.198 141 F CB 0.905 39.910 39.000 0.008 0.000 1.424 141 F HN 0.666 nan 8.300 nan 0.000 0.517 142 D N 2.888 123.089 120.400 -0.331 0.000 2.479 142 D HA 0.016 4.656 4.640 0.000 0.000 0.218 142 D C 1.652 177.732 176.300 -0.366 0.000 1.177 142 D CA -0.230 53.628 54.000 -0.238 0.000 0.830 142 D CB -0.199 40.514 40.800 -0.145 0.000 1.014 142 D HN 0.627 nan 8.370 nan 0.000 0.503 143 R N 0.093 120.197 120.500 -0.661 0.000 2.193 143 R HA -0.056 4.284 4.340 0.000 0.000 0.229 143 R C 0.607 176.449 176.300 -0.764 0.000 1.110 143 R CA 0.919 56.576 56.100 -0.739 0.000 0.988 143 R CB -0.843 28.892 30.300 -0.943 0.000 0.871 143 R HN 0.103 nan 8.270 nan 0.000 0.458 144 F N 0.970 120.745 119.950 -0.291 0.000 2.727 144 F HA 0.317 4.844 4.527 0.000 0.000 0.302 144 F C 0.435 176.171 175.800 -0.107 0.000 1.097 144 F CA -0.319 57.588 58.000 -0.155 0.000 1.330 144 F CB 0.370 39.309 39.000 -0.100 0.000 1.084 144 F HN -0.261 nan 8.300 nan 0.000 0.578 145 K N 0.834 121.223 120.400 -0.018 0.000 2.174 145 K HA 0.344 4.664 4.320 0.000 0.000 0.275 145 K C 0.458 177.034 176.600 -0.040 0.000 1.015 145 K CA -0.099 56.181 56.287 -0.011 0.000 0.933 145 K CB 1.498 33.982 32.500 -0.028 0.000 1.025 145 K HN -0.058 nan 8.250 nan 0.000 0.463 151 P HA 0.214 nan 4.420 nan 0.000 0.270 151 P C -0.613 176.677 177.300 -0.016 0.000 1.223 151 P CA -0.356 62.730 63.100 -0.023 0.000 0.785 151 P CB 0.574 32.260 31.700 -0.024 0.000 0.923 152 R N 0.123 120.615 120.500 -0.013 0.000 2.500 152 R HA 0.500 4.840 4.340 0.000 0.000 0.277 152 R C 1.062 177.358 176.300 -0.006 0.000 1.026 152 R CA -0.343 55.752 56.100 -0.008 0.000 1.058 152 R CB 1.090 31.386 30.300 -0.006 0.000 1.078 152 R HN 0.548 nan 8.270 nan 0.000 0.509 153 A N 2.585 125.402 122.820 -0.004 0.000 1.968 153 A HA -0.043 4.277 4.320 0.000 0.000 0.217 153 A C 0.766 178.349 177.584 -0.001 0.000 1.169 153 A CA 0.483 52.518 52.037 -0.003 0.000 0.638 153 A CB -0.162 18.836 19.000 -0.002 0.000 0.812 153 A HN 0.476 nan 8.150 nan 0.000 0.446 154 L N 0.515 121.738 121.223 -0.000 0.000 2.433 154 L HA 0.168 4.508 4.340 0.000 0.000 0.275 154 L C 0.729 177.601 176.870 0.003 0.000 1.128 154 L CA 0.641 55.483 54.840 0.002 0.000 0.875 154 L CB 0.387 42.448 42.059 0.003 0.000 1.171 154 L HN 0.220 nan 8.230 nan 0.000 0.463 155 K N 3.695 124.097 120.400 0.004 0.000 2.425 155 K HA 0.207 4.527 4.320 0.000 0.000 0.201 155 K C -0.167 176.437 176.600 0.007 0.000 1.128 155 K CA -0.053 56.237 56.287 0.004 0.000 1.000 155 K CB 0.687 33.188 32.500 0.002 0.000 0.961 155 K HN 0.498 nan 8.250 nan 0.000 0.555 156 K N 1.033 121.437 120.400 0.007 0.000 2.543 156 K HA 0.320 4.640 4.320 0.000 0.000 0.255 156 K C -1.843 174.763 176.600 0.010 0.000 0.934 156 K CA -0.562 55.730 56.287 0.008 0.000 0.810 156 K CB 2.287 34.791 32.500 0.006 0.000 1.315 156 K HN -0.224 nan 8.250 nan 0.000 0.433 157 V N 2.400 122.321 119.914 0.012 0.000 2.656 157 V HA 0.459 4.579 4.120 0.000 0.000 0.307 157 V C -0.717 175.385 176.094 0.014 0.000 1.051 157 V CA -0.647 61.662 62.300 0.015 0.000 0.893 157 V CB 2.155 33.989 31.823 0.019 0.000 0.999 157 V HN 0.871 nan 8.190 nan 0.000 0.426 158 T N 6.036 120.599 114.554 0.014 0.000 2.797 158 T HA 0.632 4.982 4.350 0.000 0.000 0.279 158 T C -0.419 174.290 174.700 0.014 0.000 0.991 158 T CA -0.311 61.793 62.100 0.007 0.000 0.979 158 T CB 0.878 69.749 68.868 0.004 0.000 0.943 158 T HN 0.352 nan 8.240 nan 0.000 0.444 159 L N 3.969 125.189 121.223 -0.006 0.000 2.289 159 L HA 0.540 4.880 4.340 0.000 0.000 0.285 159 L C -0.321 176.523 176.870 -0.043 0.000 1.049 159 L CA -0.877 53.958 54.840 -0.010 0.000 0.804 159 L CB 0.939 42.939 42.059 -0.097 0.000 1.195 159 L HN 0.368 nan 8.230 nan 0.000 0.428 160 L N 3.354 124.578 121.223 0.002 0.000 2.289 160 L HA 0.803 5.143 4.340 0.000 0.000 0.285 160 L C 0.107 176.976 176.870 -0.001 0.000 1.049 160 L CA -0.227 54.612 54.840 -0.002 0.000 0.804 160 L CB 1.583 43.659 42.059 0.029 0.000 1.195 160 L HN 0.764 nan 8.230 nan 0.000 0.428 161 A N 1.796 124.599 122.820 -0.029 0.000 2.569 161 A HA 0.638 4.958 4.320 0.000 0.000 0.290 161 A C -1.454 176.126 177.584 -0.007 0.000 1.136 161 A CA -0.771 51.265 52.037 -0.002 0.000 0.710 161 A CB 1.484 20.432 19.000 -0.088 0.000 1.303 161 A HN 0.706 nan 8.150 nan 0.000 0.413 162 D N 0.250 120.662 120.400 0.021 0.000 2.360 162 D HA 0.173 4.813 4.640 0.000 0.000 0.242 162 D C 0.649 176.908 176.300 -0.070 0.000 1.184 162 D CA -0.230 53.767 54.000 -0.005 0.000 0.930 162 D CB 0.693 41.515 40.800 0.036 0.000 1.161 162 D HN 0.491 nan 8.370 nan 0.000 0.447 163 K N 0.305 120.674 120.400 -0.051 0.000 2.074 163 K HA -0.178 4.142 4.320 0.000 0.000 0.209 163 K C 2.024 178.567 176.600 -0.096 0.000 1.048 163 K CA 1.825 58.074 56.287 -0.064 0.000 0.926 163 K CB -0.326 32.151 32.500 -0.038 0.000 0.713 163 K HN 0.553 nan 8.250 nan 0.000 0.444 164 A N 0.427 123.189 122.820 -0.097 0.000 1.940 164 A HA -0.102 4.218 4.320 0.000 0.000 0.219 164 A C 2.184 179.621 177.584 -0.246 0.000 1.176 164 A CA 1.946 53.914 52.037 -0.115 0.000 0.631 164 A CB -0.760 18.208 19.000 -0.054 0.000 0.814 164 A HN 0.453 nan 8.150 nan 0.000 0.446 165 G N -1.525 106.981 108.800 -0.490 0.000 3.042 165 G HA2 0.093 4.053 3.960 0.000 0.000 0.212 165 G HA3 0.093 4.053 3.960 0.000 0.000 0.212 165 G C 1.283 175.903 174.900 -0.467 0.000 1.166 165 G CA 0.683 45.188 45.100 -0.990 0.000 0.767 165 G HN 0.616 nan 8.290 nan 0.000 0.546 166 Q N 0.430 120.071 119.800 -0.265 0.000 2.050 166 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 166 Q C 2.687 178.616 176.000 -0.119 0.000 0.980 166 Q CA 1.758 57.461 55.803 -0.167 0.000 0.840 166 Q CB -0.241 28.428 28.738 -0.115 0.000 0.898 166 Q HN 0.361 nan 8.270 nan 0.000 0.424 167 A N 0.560 123.320 122.820 -0.100 0.000 1.933 167 A HA -0.176 4.144 4.320 0.000 0.000 0.218 167 A C 1.873 179.436 177.584 -0.035 0.000 1.175 167 A CA 1.494 53.494 52.037 -0.062 0.000 0.628 167 A CB -0.413 18.555 19.000 -0.054 0.000 0.814 167 A HN 0.396 nan 8.150 nan 0.000 0.444 168 E N -0.108 120.079 120.200 -0.021 0.000 2.107 168 E HA -0.074 4.276 4.350 0.000 0.000 0.191 168 E C 2.187 178.876 176.600 0.149 0.000 0.982 168 E CA 1.179 57.632 56.400 0.088 0.000 0.809 168 E CB -0.565 29.220 29.700 0.141 0.000 0.756 168 E HN 0.402 nan 8.360 nan 0.000 0.459 169 V N 1.762 121.699 119.914 0.039 0.000 2.427 169 V HA -0.223 3.897 4.120 0.000 0.000 0.248 169 V C 2.136 178.212 176.094 -0.031 0.000 1.051 169 V CA 1.693 63.976 62.300 -0.029 0.000 1.048 169 V CB -0.484 31.174 31.823 -0.274 0.000 0.666 169 V HN 0.238 nan 8.190 nan 0.000 0.456 170 E N -0.009 120.166 120.200 -0.041 0.000 2.110 170 E HA -0.243 4.107 4.350 0.000 0.000 0.193 170 E C 2.424 179.005 176.600 -0.032 0.000 0.988 170 E CA 1.194 57.570 56.400 -0.039 0.000 0.804 170 E CB -0.183 29.491 29.700 -0.044 0.000 0.745 170 E HN 0.469 nan 8.360 nan 0.000 0.458 171 R N 0.716 121.207 120.500 -0.016 0.000 2.092 171 R HA -0.102 4.238 4.340 0.000 0.000 0.231 171 R C 2.263 178.521 176.300 -0.070 0.000 1.119 171 R CA 1.174 57.216 56.100 -0.096 0.000 0.970 171 R CB -0.146 30.113 30.300 -0.068 0.000 0.864 171 R HN 0.127 nan 8.270 nan 0.000 0.440 172 A N 0.263 123.151 122.820 0.115 0.000 1.877 172 A HA -0.124 4.196 4.320 0.000 0.000 0.216 172 A C 2.237 179.805 177.584 -0.026 0.000 1.186 172 A CA 1.698 53.675 52.037 -0.100 0.000 0.620 172 A CB -0.654 18.270 19.000 -0.126 0.000 0.822 172 A HN 0.223 nan 8.150 nan 0.000 0.443 173 V N 0.347 120.263 119.914 0.003 0.000 2.343 173 V HA -0.280 3.841 4.120 0.000 0.000 0.247 173 V C 2.541 178.651 176.094 0.027 0.000 1.051 173 V CA 2.387 64.698 62.300 0.019 0.000 1.036 173 V CB -0.679 31.148 31.823 0.006 0.000 0.654 173 V HN 0.693 nan 8.190 nan 0.000 0.451 174 K N -0.527 119.872 120.400 -0.001 0.000 2.032 174 K HA -0.228 4.092 4.320 0.000 0.000 0.209 174 K C 2.133 178.828 176.600 0.158 0.000 1.048 174 K CA 2.083 58.393 56.287 0.038 0.000 0.927 174 K CB -0.273 32.217 32.500 -0.015 0.000 0.712 174 K HN 0.658 nan 8.250 nan 0.000 0.441 175 H N -0.907 118.212 119.070 0.081 0.000 2.326 175 H HA -0.041 4.515 4.556 0.000 0.000 0.301 175 H C 2.112 177.462 175.328 0.036 0.000 1.081 175 H CA 0.667 56.760 56.048 0.074 0.000 1.334 175 H CB 0.049 29.893 29.762 0.137 0.000 1.385 175 H HN 0.376 nan 8.280 nan 0.000 0.504 176 A N 0.622 123.530 122.820 0.147 0.000 1.940 176 A HA -0.193 4.127 4.320 0.000 0.000 0.219 176 A C 2.471 180.096 177.584 0.068 0.000 1.176 176 A CA 1.848 53.930 52.037 0.075 0.000 0.631 176 A CB -0.574 18.453 19.000 0.044 0.000 0.814 176 A HN 0.291 nan 8.150 nan 0.000 0.446 177 S N -0.219 115.524 115.700 0.072 0.000 2.368 177 S HA -0.002 4.468 4.470 0.000 0.000 0.224 177 S C 2.303 176.937 174.600 0.057 0.000 1.029 177 S CA 1.110 59.346 58.200 0.059 0.000 0.988 177 S CB -0.433 62.798 63.200 0.053 0.000 0.838 177 S HN 0.798 nan 8.310 nan 0.000 0.462 178 A N 1.497 124.356 122.820 0.066 0.000 1.873 178 A HA -0.020 4.300 4.320 0.000 0.000 0.215 178 A C 2.069 179.670 177.584 0.029 0.000 1.186 178 A CA 1.133 53.194 52.037 0.040 0.000 0.616 178 A CB -0.716 18.305 19.000 0.036 0.000 0.823 178 A HN 0.462 nan 8.150 nan 0.000 0.442 179 I N -0.161 120.432 120.570 0.038 0.000 2.163 179 I HA -0.308 3.862 4.170 0.000 0.000 0.243 179 I C 2.956 179.095 176.117 0.037 0.000 1.085 179 I CA 1.213 62.531 61.300 0.029 0.000 1.347 179 I CB -0.299 37.720 38.000 0.030 0.000 1.044 179 I HN 0.358 nan 8.210 nan 0.000 0.408 180 A N -0.067 122.779 122.820 0.044 0.000 1.930 180 A HA -0.179 4.141 4.320 0.000 0.000 0.217 180 A C 2.367 179.994 177.584 0.071 0.000 1.175 180 A CA 2.271 54.339 52.037 0.051 0.000 0.627 180 A CB -0.974 18.058 19.000 0.052 0.000 0.815 180 A HN 0.383 nan 8.150 nan 0.000 0.443 181 T N -0.325 114.270 114.554 0.068 0.000 2.777 181 T HA -0.014 4.336 4.350 0.000 0.000 0.266 181 T C 1.985 176.742 174.700 0.095 0.000 1.040 181 T CA 1.362 63.511 62.100 0.082 0.000 1.141 181 T CB -0.562 68.338 68.868 0.053 0.000 0.868 181 T HN 0.575 nan 8.240 nan 0.000 0.444 182 G N 1.262 110.099 108.800 0.061 0.000 2.440 182 G HA2 -0.208 3.752 3.960 0.000 0.000 0.218 182 G HA3 -0.208 3.752 3.960 0.000 0.000 0.218 182 G C 1.560 176.550 174.900 0.150 0.000 1.154 182 G CA 0.716 45.867 45.100 0.085 0.000 0.767 182 G HN 0.410 nan 8.290 nan 0.000 0.552 183 M N 0.763 120.417 119.600 0.089 0.000 2.159 183 M HA 0.021 4.501 4.480 0.000 0.000 0.263 183 M C 3.014 179.334 176.300 0.034 0.000 1.063 183 M CA 1.262 56.589 55.300 0.045 0.000 1.110 183 M CB -0.171 32.427 32.600 -0.003 0.000 1.374 183 M HN 0.317 nan 8.290 nan 0.000 0.411 184 A N -0.003 122.884 122.820 0.112 0.000 1.933 184 A HA -0.190 4.130 4.320 0.000 0.000 0.218 184 A C 1.985 179.727 177.584 0.264 0.000 1.175 184 A CA 1.338 53.499 52.037 0.207 0.000 0.628 184 A CB -0.920 18.267 19.000 0.312 0.000 0.814 184 A HN 0.525 nan 8.150 nan 0.000 0.444 185 F N 1.229 121.228 119.950 0.081 0.000 2.113 185 F HA -0.131 4.396 4.527 0.000 0.000 0.297 185 F C 2.473 178.289 175.800 0.027 0.000 1.103 185 F CA 2.262 60.294 58.000 0.054 0.000 1.248 185 F CB -0.684 38.332 39.000 0.026 0.000 0.999 185 F HN 0.194 nan 8.300 nan 0.000 0.475 186 T N 0.771 115.400 114.554 0.126 0.000 2.684 186 T HA -0.209 4.141 4.350 0.000 0.000 0.267 186 T C 2.042 176.675 174.700 -0.112 0.000 1.036 186 T CA 1.930 64.028 62.100 -0.002 0.000 1.148 186 T CB -0.275 68.637 68.868 0.074 0.000 0.863 186 T HN 0.254 nan 8.240 nan 0.000 0.436 187 R N 0.716 121.136 120.500 -0.134 0.000 2.092 187 R HA -0.043 4.297 4.340 0.000 0.000 0.231 187 R C 2.272 178.465 176.300 -0.178 0.000 1.119 187 R CA 1.285 57.236 56.100 -0.249 0.000 0.970 187 R CB -0.211 29.705 30.300 -0.640 0.000 0.864 187 R HN 0.311 nan 8.270 nan 0.000 0.440 188 D N 0.797 121.198 120.400 0.001 0.000 2.117 188 D HA -0.130 4.511 4.640 0.000 0.000 0.197 188 D C 1.931 178.166 176.300 -0.108 0.000 0.987 188 D CA 1.091 55.126 54.000 0.058 0.000 0.829 188 D CB -0.116 40.805 40.800 0.202 0.000 0.961 188 D HN 0.153 nan 8.370 nan 0.000 0.460 189 L N 0.268 121.368 121.223 -0.204 0.000 2.083 189 L HA -0.063 4.277 4.340 0.000 0.000 0.209 189 L C 2.537 179.313 176.870 -0.156 0.000 1.083 189 L CA 1.355 56.081 54.840 -0.189 0.000 0.752 189 L CB -0.646 41.209 42.059 -0.340 0.000 0.899 189 L HN 0.084 nan 8.230 nan 0.000 0.433 190 G N -0.338 108.351 108.800 -0.185 0.000 2.402 190 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 190 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 190 G C 1.383 176.118 174.900 -0.276 0.000 1.162 190 G CA 0.446 45.427 45.100 -0.198 0.000 0.777 190 G HN 0.293 nan 8.290 nan 0.000 0.539 191 N N 0.216 118.678 118.700 -0.397 0.000 2.409 191 N HA 0.062 4.802 4.740 0.000 0.000 0.179 191 N C 0.958 176.235 175.510 -0.388 0.000 1.032 191 N CA -0.039 52.673 53.050 -0.563 0.000 0.898 191 N CB -0.099 37.664 38.487 -1.206 0.000 0.971 191 N HN 0.256 nan 8.380 nan 0.000 0.441 192 L N 2.662 123.777 121.223 -0.181 0.000 2.525 192 L HA 0.048 4.388 4.340 0.000 0.000 0.278 192 L C -1.793 175.013 176.870 -0.107 0.000 1.218 192 L CA -1.193 53.684 54.840 0.062 0.000 0.878 192 L CB -0.023 42.037 42.059 0.002 0.000 1.127 192 L HN 0.019 nan 8.230 nan 0.000 0.492 193 P HA 0.158 nan 4.420 nan 0.000 0.274 193 P C -2.291 174.903 177.300 -0.175 0.000 1.237 193 P CA -1.611 61.353 63.100 -0.226 0.000 0.793 193 P CB 0.153 31.639 31.700 -0.356 0.000 0.977 194 P HA -0.096 nan 4.420 nan 0.000 0.231 194 P C 0.738 177.995 177.300 -0.072 0.000 1.168 194 P CA 1.087 64.126 63.100 -0.102 0.000 0.779 194 P CB -0.277 31.362 31.700 -0.101 0.000 0.844 195 N N 0.005 118.647 118.700 -0.097 0.000 2.459 195 N HA -0.090 4.650 4.740 0.000 0.000 0.181 195 N C 1.568 177.046 175.510 -0.052 0.000 1.046 195 N CA 1.043 54.044 53.050 -0.082 0.000 0.904 195 N CB -1.264 37.168 38.487 -0.092 0.000 0.964 195 N HN 0.223 nan 8.380 nan 0.000 0.444 196 L N -1.296 119.881 121.223 -0.076 0.000 2.445 196 L HA 0.252 4.592 4.340 0.000 0.000 0.207 196 L C 0.407 177.128 176.870 -0.249 0.000 1.053 196 L CA -0.100 54.671 54.840 -0.116 0.000 0.841 196 L CB 0.110 42.063 42.059 -0.176 0.000 1.074 196 L HN 0.196 nan 8.230 nan 0.000 0.479 197 C N 3.010 122.135 119.300 -0.293 0.000 2.116 197 C HA 0.319 4.779 4.460 0.000 0.000 0.367 197 C C 0.526 175.522 174.990 0.010 0.000 1.039 197 C CA -0.731 58.104 59.018 -0.306 0.000 1.465 197 C CB -2.032 25.558 27.740 -0.249 0.000 1.783 197 C HN 0.364 nan 8.230 nan 0.000 0.470 198 H N 3.807 122.911 119.070 0.056 0.000 2.771 198 H HA 0.534 5.090 4.556 0.000 0.000 0.344 198 H C -2.337 173.083 175.328 0.153 0.000 1.260 198 H CA -2.097 53.995 56.048 0.073 0.000 1.276 198 H CB -0.022 29.761 29.762 0.036 0.000 1.881 198 H HN 0.044 nan 8.280 nan 0.000 0.615 199 P HA -0.084 nan 4.420 nan 0.000 0.217 199 P C 1.513 178.817 177.300 0.006 0.000 1.150 199 P CA 1.663 64.804 63.100 0.069 0.000 0.832 199 P CB 0.033 31.791 31.700 0.098 0.000 0.787 200 S N -0.921 114.770 115.700 -0.014 0.000 2.382 200 S HA -0.159 4.311 4.470 0.000 0.000 0.228 200 S C 1.663 176.168 174.600 -0.158 0.000 1.027 200 S CA 0.889 59.078 58.200 -0.018 0.000 0.991 200 S CB -1.168 62.169 63.200 0.228 0.000 0.823 200 S HN 0.137 nan 8.310 nan 0.000 0.469 201 F N 2.525 122.057 119.950 -0.698 0.000 2.095 201 F HA -0.094 4.433 4.527 0.000 0.000 0.298 201 F C 1.779 177.489 175.800 -0.149 0.000 1.104 201 F CA 1.309 59.089 58.000 -0.366 0.000 1.232 201 F CB -0.385 38.362 39.000 -0.421 0.000 0.987 201 F HN 0.084 nan 8.300 nan 0.000 0.475 202 L N -0.025 121.153 121.223 -0.075 0.000 2.131 202 L HA -0.202 4.139 4.340 0.000 0.000 0.210 202 L C 2.811 179.718 176.870 0.061 0.000 1.092 202 L CA 1.037 55.873 54.840 -0.007 0.000 0.759 202 L CB -1.259 40.931 42.059 0.218 0.000 0.903 202 L HN 0.297 nan 8.230 nan 0.000 0.435 203 A N -0.272 122.563 122.820 0.026 0.000 1.902 203 A HA -0.190 4.130 4.320 0.000 0.000 0.217 203 A C 2.213 179.802 177.584 0.007 0.000 1.181 203 A CA 1.447 53.514 52.037 0.050 0.000 0.623 203 A CB -0.312 18.715 19.000 0.045 0.000 0.818 203 A HN 0.314 nan 8.150 nan 0.000 0.443 204 E N -0.083 120.064 120.200 -0.088 0.000 2.106 204 E HA -0.159 4.191 4.350 0.000 0.000 0.192 204 E C 2.225 178.735 176.600 -0.150 0.000 0.984 204 E CA 0.924 57.258 56.400 -0.109 0.000 0.806 204 E CB -0.360 29.248 29.700 -0.153 0.000 0.750 204 E HN 0.597 nan 8.360 nan 0.000 0.458 205 Q N 0.219 119.841 119.800 -0.295 0.000 2.096 205 Q HA -0.107 4.233 4.340 0.000 0.000 0.204 205 Q C 2.130 178.175 176.000 0.076 0.000 0.982 205 Q CA 1.523 57.180 55.803 -0.243 0.000 0.850 205 Q CB -0.433 27.979 28.738 -0.545 0.000 0.901 205 Q HN 0.255 nan 8.270 nan 0.000 0.422 206 A N 1.296 124.275 122.820 0.265 0.000 1.873 206 A HA -0.172 4.148 4.320 0.000 0.000 0.215 206 A C 2.096 179.785 177.584 0.174 0.000 1.186 206 A CA 1.480 53.736 52.037 0.365 0.000 0.616 206 A CB -0.337 18.825 19.000 0.270 0.000 0.823 206 A HN 0.255 nan 8.150 nan 0.000 0.442 207 K N -0.280 120.181 120.400 0.102 0.000 2.097 207 K HA -0.162 4.158 4.320 0.000 0.000 0.206 207 K C 1.937 178.576 176.600 0.065 0.000 1.049 207 K CA 1.587 57.917 56.287 0.071 0.000 0.933 207 K CB -0.163 32.364 32.500 0.045 0.000 0.717 207 K HN 0.626 nan 8.250 nan 0.000 0.442 208 E N 0.666 120.896 120.200 0.051 0.000 2.072 208 E HA -0.188 4.162 4.350 0.000 0.000 0.191 208 E C 1.971 178.615 176.600 0.074 0.000 0.985 208 E CA 0.735 57.160 56.400 0.042 0.000 0.801 208 E CB -0.031 29.679 29.700 0.017 0.000 0.750 208 E HN 0.087 nan 8.360 nan 0.000 0.452 209 L N 0.657 121.953 121.223 0.120 0.000 2.046 209 L HA -0.066 4.274 4.340 0.000 0.000 0.208 209 L C 2.215 179.213 176.870 0.213 0.000 1.077 209 L CA 2.057 57.005 54.840 0.178 0.000 0.747 209 L CB -0.831 41.336 42.059 0.181 0.000 0.896 209 L HN 0.113 nan 8.230 nan 0.000 0.432 210 G N -1.024 107.867 108.800 0.151 0.000 2.440 210 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 210 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 210 G C 1.745 176.707 174.900 0.104 0.000 1.154 210 G CA 0.940 46.117 45.100 0.128 0.000 0.767 210 G HN 0.363 nan 8.290 nan 0.000 0.552 211 K N 0.377 120.819 120.400 0.071 0.000 2.097 211 K HA 0.077 4.397 4.320 0.000 0.000 0.206 211 K C 2.753 179.353 176.600 -0.000 0.000 1.049 211 K CA 1.034 57.342 56.287 0.035 0.000 0.933 211 K CB -0.182 32.331 32.500 0.022 0.000 0.717 211 K HN 0.268 nan 8.250 nan 0.000 0.442 212 A N 0.473 123.275 122.820 -0.029 0.000 2.168 212 A HA -0.058 4.262 4.320 0.000 0.000 0.215 212 A C -0.003 177.318 177.584 -0.439 0.000 1.152 212 A CA 0.777 52.673 52.037 -0.234 0.000 0.716 212 A CB -0.149 18.672 19.000 -0.297 0.000 0.794 212 A HN 0.226 nan 8.150 nan 0.000 0.465 213 H N -1.077 118.008 119.070 0.025 0.000 2.840 213 H HA 0.218 4.774 4.556 0.000 0.000 0.340 213 H C -0.004 175.358 175.328 0.056 0.000 1.004 213 H CA -0.814 55.256 56.048 0.038 0.000 1.288 213 H CB 1.587 31.371 29.762 0.037 0.000 1.607 213 H HN 0.058 nan 8.280 nan 0.000 0.522 214 K N 1.751 122.244 120.400 0.154 0.000 2.057 214 K HA -0.026 4.295 4.320 0.000 0.000 0.207 214 K C 1.524 178.191 176.600 0.111 0.000 1.049 214 K CA 1.081 57.431 56.287 0.106 0.000 0.931 214 K CB -0.020 32.525 32.500 0.074 0.000 0.714 214 K HN 0.562 nan 8.250 nan 0.000 0.440 215 A N 0.714 123.625 122.820 0.152 0.000 2.302 215 A HA 0.109 4.429 4.320 0.000 0.000 0.219 215 A C 0.399 178.068 177.584 0.142 0.000 1.243 215 A CA -0.191 51.902 52.037 0.094 0.000 0.856 215 A CB -0.124 18.908 19.000 0.054 0.000 0.893 215 A HN 0.135 nan 8.150 nan 0.000 0.491 216 L N 0.237 121.568 121.223 0.180 0.000 2.313 216 L HA 0.550 4.890 4.340 0.000 0.000 0.283 216 L C -1.010 175.925 176.870 0.110 0.000 1.013 216 L CA -0.272 54.667 54.840 0.165 0.000 0.816 216 L CB 1.375 43.531 42.059 0.162 0.000 1.236 216 L HN -0.117 nan 8.230 nan 0.000 0.419 217 K N 4.235 124.686 120.400 0.086 0.000 2.292 217 K HA 0.642 4.962 4.320 0.000 0.000 0.257 217 K C -1.384 175.258 176.600 0.070 0.000 0.940 217 K CA -0.568 55.764 56.287 0.074 0.000 0.811 217 K CB 2.319 34.860 32.500 0.068 0.000 1.120 217 K HN 0.385 nan 8.250 nan 0.000 0.428 218 V N 2.129 122.084 119.914 0.069 0.000 2.495 218 V HA 0.367 4.487 4.120 0.000 0.000 0.298 218 V C -0.224 175.908 176.094 0.065 0.000 1.031 218 V CA -0.792 61.546 62.300 0.062 0.000 0.871 218 V CB 1.872 33.736 31.823 0.068 0.000 0.988 218 V HN 0.716 nan 8.190 nan 0.000 0.432 219 E N 3.193 123.432 120.200 0.066 0.000 2.266 219 E HA 0.720 5.070 4.350 0.000 0.000 0.268 219 E C -1.887 174.743 176.600 0.049 0.000 0.879 219 E CA -0.552 55.888 56.400 0.068 0.000 0.762 219 E CB 2.406 32.164 29.700 0.096 0.000 1.199 219 E HN 0.438 nan 8.360 nan 0.000 0.422 220 V N 4.836 124.778 119.914 0.046 0.000 2.409 220 V HA 0.339 4.459 4.120 0.000 0.000 0.291 220 V C -0.865 175.251 176.094 0.036 0.000 1.020 220 V CA -0.802 61.521 62.300 0.038 0.000 0.848 220 V CB 1.246 33.099 31.823 0.049 0.000 0.990 220 V HN 0.574 nan 8.190 nan 0.000 0.430 221 L N 5.754 126.984 121.223 0.013 0.000 2.282 221 L HA 0.528 4.868 4.340 0.000 0.000 0.288 221 L C 0.260 177.170 176.870 0.068 0.000 1.033 221 L CA -0.177 54.673 54.840 0.017 0.000 0.807 221 L CB 1.208 43.226 42.059 -0.068 0.000 1.209 221 L HN 0.797 nan 8.230 nan 0.000 0.423 222 D N 0.994 121.447 120.400 0.089 0.000 2.511 222 D HA 0.065 4.705 4.640 0.000 0.000 0.276 222 D C 0.841 177.240 176.300 0.166 0.000 1.220 222 D CA -0.489 53.583 54.000 0.119 0.000 1.077 222 D CB 0.511 41.368 40.800 0.096 0.000 1.126 222 D HN 0.588 nan 8.370 nan 0.000 0.583 223 E N -0.489 119.811 120.200 0.168 0.000 2.077 223 E HA -0.265 4.085 4.350 0.000 0.000 0.193 223 E C 1.800 178.549 176.600 0.249 0.000 0.989 223 E CA 1.187 57.723 56.400 0.226 0.000 0.800 223 E CB 0.016 29.811 29.700 0.159 0.000 0.746 223 E HN 0.482 nan 8.360 nan 0.000 0.452 224 K N 0.644 121.145 120.400 0.168 0.000 2.097 224 K HA -0.223 4.097 4.320 0.000 0.000 0.206 224 K C 2.182 178.843 176.600 0.101 0.000 1.049 224 K CA 1.591 57.952 56.287 0.123 0.000 0.933 224 K CB -0.034 32.517 32.500 0.086 0.000 0.717 224 K HN -0.131 nan 8.250 nan 0.000 0.442 225 K N 1.267 121.728 120.400 0.102 0.000 2.057 225 K HA -0.070 4.250 4.320 0.000 0.000 0.207 225 K C 1.789 178.441 176.600 0.087 0.000 1.049 225 K CA 1.502 57.837 56.287 0.080 0.000 0.931 225 K CB -0.255 32.284 32.500 0.065 0.000 0.714 225 K HN 0.246 nan 8.250 nan 0.000 0.440 226 I N 0.588 121.244 120.570 0.144 0.000 2.179 226 I HA -0.285 3.885 4.170 0.000 0.000 0.242 226 I C 2.485 178.711 176.117 0.181 0.000 1.088 226 I CA 1.364 62.768 61.300 0.174 0.000 1.357 226 I CB -0.266 38.015 38.000 0.468 0.000 1.051 226 I HN 0.244 nan 8.210 nan 0.000 0.409 227 K N 0.844 121.346 120.400 0.171 0.000 2.032 227 K HA -0.239 4.081 4.320 0.000 0.000 0.209 227 K C 1.602 178.186 176.600 -0.027 0.000 1.048 227 K CA 2.022 58.290 56.287 -0.032 0.000 0.927 227 K CB -0.045 32.294 32.500 -0.268 0.000 0.712 227 K HN 0.200 nan 8.250 nan 0.000 0.441 228 D N 0.663 121.067 120.400 0.007 0.000 2.264 228 D HA -0.100 4.540 4.640 0.000 0.000 0.208 228 D C 1.670 177.984 176.300 0.024 0.000 0.966 228 D CA 0.741 54.746 54.000 0.008 0.000 0.864 228 D CB 0.051 40.862 40.800 0.019 0.000 0.933 228 D HN 0.256 nan 8.370 nan 0.000 0.499 229 L N -0.683 120.567 121.223 0.045 0.000 2.478 229 L HA 0.103 4.443 4.340 0.000 0.000 0.223 229 L C 1.462 178.364 176.870 0.053 0.000 1.140 229 L CA 0.588 55.462 54.840 0.058 0.000 0.842 229 L CB -0.088 42.022 42.059 0.085 0.000 0.953 229 L HN 0.149 nan 8.230 nan 0.000 0.452 230 G N -0.213 108.612 108.800 0.043 0.000 2.131 230 G HA2 -0.282 3.678 3.960 0.000 0.000 0.223 230 G HA3 -0.282 3.678 3.960 0.000 0.000 0.223 230 G C 0.309 175.255 174.900 0.077 0.000 0.990 230 G CA -0.289 44.837 45.100 0.043 0.000 0.671 230 G HN 0.242 nan 8.290 nan 0.000 0.521 231 M N 2.081 121.743 119.600 0.103 0.000 3.237 231 M HA 0.339 4.819 4.480 0.000 0.000 0.266 231 M C 1.866 178.301 176.300 0.226 0.000 1.456 231 M CA 0.580 55.972 55.300 0.154 0.000 1.593 231 M CB 0.289 32.970 32.600 0.135 0.000 1.129 231 M HN 0.232 nan 8.290 nan 0.000 0.547 232 G N 0.737 109.640 108.800 0.171 0.000 2.422 232 G HA2 -0.124 3.836 3.960 0.000 0.000 0.218 232 G HA3 -0.124 3.836 3.960 0.000 0.000 0.218 232 G C 1.464 176.495 174.900 0.219 0.000 1.140 232 G CA 1.022 46.229 45.100 0.177 0.000 0.775 232 G HN 0.683 nan 8.290 nan 0.000 0.545 233 A N 0.283 123.224 122.820 0.203 0.000 1.898 233 A HA 0.235 4.555 4.320 0.000 0.000 0.214 233 A C 2.096 179.799 177.584 0.198 0.000 1.183 233 A CA 1.196 53.340 52.037 0.178 0.000 0.622 233 A CB -0.463 18.627 19.000 0.150 0.000 0.824 233 A HN 0.344 nan 8.150 nan 0.000 0.444 234 F N -0.701 119.290 119.950 0.069 0.000 2.102 234 F HA -0.206 4.321 4.527 0.000 0.000 0.298 234 F C 2.116 177.961 175.800 0.075 0.000 1.105 234 F CA 1.972 60.003 58.000 0.053 0.000 1.239 234 F CB -0.565 38.465 39.000 0.050 0.000 0.991 234 F HN 0.366 nan 8.300 nan 0.000 0.474 235 Y N 0.791 121.176 120.300 0.141 0.000 2.165 235 Y HA -0.224 4.326 4.550 0.000 0.000 0.286 235 Y C 2.380 178.249 175.900 -0.051 0.000 1.155 235 Y CA 1.732 59.841 58.100 0.016 0.000 1.164 235 Y CB -0.868 37.647 38.460 0.091 0.000 0.978 235 Y HN 0.120 nan 8.280 nan 0.000 0.513 236 A N -0.924 121.958 122.820 0.103 0.000 1.933 236 A HA -0.147 4.173 4.320 0.000 0.000 0.218 236 A C 2.319 179.828 177.584 -0.124 0.000 1.175 236 A CA 1.865 53.910 52.037 0.014 0.000 0.628 236 A CB -1.241 17.808 19.000 0.081 0.000 0.814 236 A HN 0.335 nan 8.150 nan 0.000 0.444 237 V N -0.333 119.491 119.914 -0.151 0.000 2.358 237 V HA -0.152 3.968 4.120 0.000 0.000 0.246 237 V C 2.695 178.637 176.094 -0.253 0.000 1.047 237 V CA 1.982 64.175 62.300 -0.179 0.000 1.035 237 V CB -1.177 30.537 31.823 -0.182 0.000 0.658 237 V HN 0.610 nan 8.190 nan 0.000 0.452 238 G N -0.155 108.415 108.800 -0.384 0.000 2.623 238 G HA2 -0.181 3.779 3.960 0.000 0.000 0.214 238 G HA3 -0.181 3.779 3.960 0.000 0.000 0.214 238 G C 1.418 176.110 174.900 -0.346 0.000 1.138 238 G CA 0.641 45.514 45.100 -0.379 0.000 0.794 238 G HN 0.683 nan 8.290 nan 0.000 0.535 239 Q N -0.095 119.451 119.800 -0.423 0.000 2.224 239 Q HA 0.109 4.449 4.340 0.000 0.000 0.203 239 Q C 2.296 178.174 176.000 -0.204 0.000 0.970 239 Q CA 1.312 56.877 55.803 -0.398 0.000 0.865 239 Q CB -0.497 27.950 28.738 -0.485 0.000 0.922 239 Q HN 0.212 nan 8.270 nan 0.000 0.445 240 G N 0.770 109.473 108.800 -0.161 0.000 2.509 240 G HA2 -0.125 3.835 3.960 0.000 0.000 0.218 240 G HA3 -0.125 3.835 3.960 0.000 0.000 0.218 240 G C 0.490 175.334 174.900 -0.093 0.000 1.124 240 G CA 0.388 45.427 45.100 -0.103 0.000 0.776 240 G HN 0.348 nan 8.290 nan 0.000 0.547 241 S N -0.592 115.043 115.700 -0.108 0.000 2.617 241 S HA 0.321 4.791 4.470 0.000 0.000 0.283 241 S C 0.744 175.298 174.600 -0.077 0.000 1.189 241 S CA -0.592 57.555 58.200 -0.087 0.000 1.036 241 S CB 1.274 64.421 63.200 -0.089 0.000 1.014 241 S HN 0.072 nan 8.310 nan 0.000 0.522 242 D N 1.116 121.477 120.400 -0.064 0.000 2.269 242 D HA 0.045 4.685 4.640 0.000 0.000 0.208 242 D C 0.145 176.413 176.300 -0.054 0.000 0.963 242 D CA 0.905 54.872 54.000 -0.055 0.000 0.864 242 D CB 0.106 40.873 40.800 -0.056 0.000 0.936 242 D HN 0.428 nan 8.370 nan 0.000 0.505 243 Q N 1.649 121.415 119.800 -0.058 0.000 2.337 243 Q HA 0.231 4.571 4.340 0.000 0.000 0.255 243 Q C -2.216 173.780 176.000 -0.007 0.000 0.997 243 Q CA -1.737 54.050 55.803 -0.026 0.000 0.925 243 Q CB 1.267 29.998 28.738 -0.012 0.000 1.212 243 Q HN 0.186 nan 8.270 nan 0.000 0.436 244 P HA 0.310 nan 4.420 nan 0.000 0.276 244 P C -2.610 174.688 177.300 -0.002 0.000 1.252 244 P CA -1.633 61.460 63.100 -0.012 0.000 0.802 244 P CB -0.036 31.680 31.700 0.026 0.000 1.035 245 P HA 0.322 nan 4.420 nan 0.000 0.276 245 P C -0.592 176.775 177.300 0.112 0.000 1.252 245 P CA -0.119 62.933 63.100 -0.080 0.000 0.802 245 P CB 0.689 32.150 31.700 -0.398 0.000 1.035 246 R N 0.885 121.511 120.500 0.210 0.000 2.621 246 R HA 0.505 4.845 4.340 0.000 0.000 0.284 246 R C -1.176 175.316 176.300 0.321 0.000 0.998 246 R CA -1.025 55.219 56.100 0.239 0.000 0.895 246 R CB 1.671 32.054 30.300 0.138 0.000 1.195 246 R HN 0.434 nan 8.270 nan 0.000 0.450 247 L N 4.020 125.334 121.223 0.152 0.000 2.280 247 L HA 0.547 4.887 4.340 0.000 0.000 0.287 247 L C -0.848 175.973 176.870 -0.081 0.000 1.023 247 L CA -0.218 54.574 54.840 -0.081 0.000 0.819 247 L CB 0.834 42.624 42.059 -0.447 0.000 1.212 247 L HN 0.555 nan 8.230 nan 0.000 0.420 248 I N 5.767 126.301 120.570 -0.060 0.000 2.354 248 I HA 0.434 4.604 4.170 0.000 0.000 0.292 248 I C -0.703 175.367 176.117 -0.079 0.000 0.989 248 I CA -0.819 60.452 61.300 -0.048 0.000 1.188 248 I CB 1.845 39.820 38.000 -0.042 0.000 1.342 248 I HN 0.264 nan 8.210 nan 0.000 0.457 249 V N 7.503 127.396 119.914 -0.035 0.000 2.384 249 V HA 0.424 4.544 4.120 0.000 0.000 0.287 249 V C -0.468 175.615 176.094 -0.019 0.000 1.020 249 V CA -0.568 61.728 62.300 -0.007 0.000 0.850 249 V CB 1.572 33.466 31.823 0.118 0.000 0.987 249 V HN 0.356 nan 8.190 nan 0.000 0.436 250 L N 4.748 125.930 121.223 -0.069 0.000 2.349 250 L HA 0.562 4.902 4.340 0.000 0.000 0.278 250 L C -0.139 176.705 176.870 -0.043 0.000 0.996 250 L CA -0.220 54.594 54.840 -0.044 0.000 0.825 250 L CB 1.556 43.567 42.059 -0.080 0.000 1.243 250 L HN 0.551 nan 8.230 nan 0.000 0.412 251 N N 2.475 121.179 118.700 0.008 0.000 2.479 251 N HA 0.185 4.925 4.740 0.000 0.000 0.261 251 N C -1.682 173.875 175.510 0.078 0.000 0.979 251 N CA -0.425 52.628 53.050 0.005 0.000 0.930 251 N CB 0.965 39.464 38.487 0.019 0.000 1.172 251 N HN 0.468 nan 8.380 nan 0.000 0.499 252 Y N 3.138 123.411 120.300 -0.046 0.000 2.353 252 Y HA 0.353 4.903 4.550 0.000 0.000 0.340 252 Y C -0.463 175.433 175.900 -0.007 0.000 0.972 252 Y CA -0.457 57.627 58.100 -0.027 0.000 1.157 252 Y CB 0.928 39.360 38.460 -0.046 0.000 1.157 252 Y HN 0.348 nan 8.280 nan 0.000 0.495 253 Q N 5.450 124.970 119.800 -0.468 0.000 2.834 253 Q HA 0.269 4.609 4.340 0.000 0.000 0.271 253 Q C 0.704 176.349 176.000 -0.591 0.000 1.196 253 Q CA 0.102 55.676 55.803 -0.383 0.000 1.063 253 Q CB 1.246 29.882 28.738 -0.170 0.000 1.265 253 Q HN 1.135 nan 8.270 nan 0.000 0.526 254 G N 0.262 108.519 108.800 -0.904 0.000 2.777 254 G HA2 0.104 4.064 3.960 0.000 0.000 0.211 254 G HA3 0.104 4.064 3.960 0.000 0.000 0.211 254 G C 0.673 175.454 174.900 -0.198 0.000 1.149 254 G CA 0.380 45.109 45.100 -0.619 0.000 0.785 254 G HN 0.470 nan 8.290 nan 0.000 0.536 255 G N -0.183 108.534 108.800 -0.139 0.000 2.568 255 G HA2 0.483 4.443 3.960 0.000 0.000 0.293 255 G HA3 0.483 4.443 3.960 0.000 0.000 0.293 255 G C -0.262 174.611 174.900 -0.045 0.000 1.347 255 G CA -0.815 44.261 45.100 -0.039 0.000 1.039 255 G HN 0.212 nan 8.290 nan 0.000 0.523 256 K N -0.458 119.931 120.400 -0.020 0.000 2.319 256 K HA 0.087 4.407 4.320 0.000 0.000 0.265 256 K C 1.196 177.781 176.600 -0.025 0.000 1.000 256 K CA -0.240 56.035 56.287 -0.020 0.000 0.943 256 K CB 1.244 33.738 32.500 -0.010 0.000 0.950 256 K HN 0.433 nan 8.250 nan 0.000 0.485 257 K N 1.948 122.334 120.400 -0.023 0.000 2.103 257 K HA -0.175 4.145 4.320 0.000 0.000 0.207 257 K C 1.340 177.930 176.600 -0.017 0.000 1.048 257 K CA 1.967 58.242 56.287 -0.021 0.000 0.930 257 K CB -0.107 32.383 32.500 -0.016 0.000 0.716 257 K HN 0.654 nan 8.250 nan 0.000 0.444 258 A N 0.391 123.202 122.820 -0.015 0.000 2.307 258 A HA 0.116 4.436 4.320 0.000 0.000 0.218 258 A C -0.519 177.052 177.584 -0.021 0.000 1.228 258 A CA -0.209 51.819 52.037 -0.015 0.000 0.857 258 A CB -0.140 18.852 19.000 -0.012 0.000 0.897 258 A HN 0.229 nan 8.150 nan 0.000 0.495 259 D N 1.591 121.977 120.400 -0.024 0.000 2.351 259 D HA 0.202 4.842 4.640 0.000 0.000 0.251 259 D C 0.012 176.273 176.300 -0.065 0.000 1.137 259 D CA 0.358 54.337 54.000 -0.036 0.000 0.879 259 D CB 0.795 41.584 40.800 -0.019 0.000 1.181 259 D HN 0.242 nan 8.370 nan 0.000 0.448 260 K N 3.025 123.363 120.400 -0.104 0.000 2.355 260 K HA 0.206 4.526 4.320 0.000 0.000 0.270 260 K C -2.145 174.306 176.600 -0.249 0.000 1.003 260 K CA -1.157 55.046 56.287 -0.139 0.000 0.957 260 K CB 0.380 32.787 32.500 -0.154 0.000 0.939 260 K HN 0.262 nan 8.250 nan 0.000 0.482 261 P HA 0.162 nan 4.420 nan 0.000 0.279 261 P C -0.953 176.124 177.300 -0.371 0.000 1.252 261 P CA -0.369 62.613 63.100 -0.196 0.000 0.811 261 P CB 0.460 32.119 31.700 -0.070 0.000 1.035 262 F N -0.107 119.851 119.950 0.014 0.000 2.394 262 F HA 0.341 4.868 4.527 -0.000 0.000 0.340 262 F C 0.508 176.293 175.800 -0.026 0.000 1.105 262 F CA -0.383 57.639 58.000 0.038 0.000 1.124 262 F CB 1.018 40.077 39.000 0.098 0.000 1.145 262 F HN -0.065 nan 8.300 nan 0.000 0.505 263 V N 5.186 125.149 119.914 0.081 0.000 2.417 263 V HA 0.408 4.528 4.120 0.000 0.000 0.291 263 V C -0.222 175.886 176.094 0.023 0.000 1.024 263 V CA -0.808 61.477 62.300 -0.026 0.000 0.861 263 V CB 1.688 33.446 31.823 -0.109 0.000 0.985 263 V HN 0.518 nan 8.190 nan 0.000 0.436 264 L N 5.423 126.648 121.223 0.002 0.000 2.313 264 L HA 0.644 4.984 4.340 0.000 0.000 0.283 264 L C -0.707 176.166 176.870 0.005 0.000 1.013 264 L CA -0.771 54.077 54.840 0.012 0.000 0.816 264 L CB 1.968 44.029 42.059 0.003 0.000 1.236 264 L HN 0.332 nan 8.230 nan 0.000 0.419 265 V N 2.138 122.081 119.914 0.048 0.000 2.384 265 V HA 0.618 4.738 4.120 0.000 0.000 0.287 265 V C 0.452 176.590 176.094 0.073 0.000 1.020 265 V CA -0.452 61.887 62.300 0.065 0.000 0.850 265 V CB 1.563 33.462 31.823 0.127 0.000 0.987 265 V HN 0.875 nan 8.190 nan 0.000 0.436 266 G N 3.205 112.033 108.800 0.047 0.000 2.415 266 G HA2 0.506 4.466 3.960 0.000 0.000 0.327 266 G HA3 0.506 4.466 3.960 0.000 0.000 0.327 266 G C -0.659 174.291 174.900 0.085 0.000 1.182 266 G CA -0.733 44.405 45.100 0.064 0.000 0.924 266 G HN 0.663 nan 8.290 nan 0.000 0.470 267 K N 1.363 121.825 120.400 0.105 0.000 2.383 267 K HA 0.361 4.681 4.320 0.000 0.000 0.286 267 K C 0.641 177.298 176.600 0.095 0.000 1.051 267 K CA -0.168 56.184 56.287 0.109 0.000 0.974 267 K CB 0.473 33.042 32.500 0.114 0.000 0.968 267 K HN 0.443 nan 8.250 nan 0.000 0.475 268 G N 6.464 115.323 108.800 0.099 0.000 4.873 268 G HA2 0.217 4.177 3.960 0.000 0.000 0.314 268 G HA3 0.217 4.177 3.960 0.000 0.000 0.314 268 G C -0.028 174.911 174.900 0.064 0.000 1.426 268 G CA -0.480 44.675 45.100 0.092 0.000 1.136 268 G HN 0.449 nan 8.290 nan 0.000 0.589 292 C N 1.760 121.086 119.300 0.043 0.000 2.448 292 C HA 0.150 4.610 4.460 0.000 0.000 0.280 292 C C 2.718 177.762 174.990 0.090 0.000 1.398 292 C CA 1.681 60.740 59.018 0.068 0.000 1.774 292 C CB -1.261 26.548 27.740 0.114 0.000 1.888 292 C HN 0.879 nan 8.230 nan 0.000 0.519 293 G N 0.917 109.774 108.800 0.095 0.000 2.480 293 G HA2 -0.128 3.832 3.960 0.000 0.000 0.216 293 G HA3 -0.128 3.832 3.960 0.000 0.000 0.216 293 G C 1.908 176.863 174.900 0.090 0.000 1.200 293 G CA 1.094 46.247 45.100 0.088 0.000 0.782 293 G HN 0.576 nan 8.290 nan 0.000 0.554 294 A N 1.099 123.978 122.820 0.099 0.000 1.908 294 A HA 0.223 4.543 4.320 0.000 0.000 0.218 294 A C 2.825 180.535 177.584 0.211 0.000 1.181 294 A CA 2.425 54.527 52.037 0.108 0.000 0.627 294 A CB -0.826 18.244 19.000 0.118 0.000 0.818 294 A HN 0.882 nan 8.150 nan 0.000 0.445 295 A N 0.320 123.266 122.820 0.211 0.000 1.902 295 A HA -0.105 4.215 4.320 0.000 0.000 0.217 295 A C 2.515 180.247 177.584 0.247 0.000 1.181 295 A CA 2.376 54.556 52.037 0.238 0.000 0.623 295 A CB -0.990 18.046 19.000 0.060 0.000 0.818 295 A HN 1.059 nan 8.150 nan 0.000 0.443 296 S N -0.466 115.327 115.700 0.156 0.000 2.402 296 S HA -0.098 4.372 4.470 0.000 0.000 0.229 296 S C 1.730 176.415 174.600 0.141 0.000 1.021 296 S CA 1.343 59.622 58.200 0.133 0.000 0.974 296 S CB -0.787 62.459 63.200 0.076 0.000 0.800 296 S HN 0.237 nan 8.310 nan 0.000 0.484 297 V N 0.905 120.892 119.914 0.122 0.000 2.307 297 V HA -0.080 4.040 4.120 0.000 0.000 0.245 297 V C 2.191 178.358 176.094 0.123 0.000 1.045 297 V CA 1.937 64.274 62.300 0.061 0.000 1.024 297 V CB -1.028 30.785 31.823 -0.017 0.000 0.651 297 V HN 0.490 nan 8.190 nan 0.000 0.449 298 F N 1.107 121.169 119.950 0.186 0.000 2.120 298 F HA -0.180 4.348 4.527 0.000 0.000 0.300 298 F C 2.382 178.324 175.800 0.236 0.000 1.095 298 F CA 1.588 59.795 58.000 0.345 0.000 1.249 298 F CB -0.634 38.910 39.000 0.907 0.000 0.995 298 F HN 0.259 nan 8.300 nan 0.000 0.480 299 G N -1.451 107.669 108.800 0.533 0.000 2.403 299 G HA2 -0.165 3.795 3.960 0.000 0.000 0.216 299 G HA3 -0.165 3.795 3.960 0.000 0.000 0.216 299 G C 1.609 176.564 174.900 0.092 0.000 1.154 299 G CA 1.201 46.495 45.100 0.322 0.000 0.784 299 G HN 0.254 nan 8.290 nan 0.000 0.538 300 T N 1.335 115.934 114.554 0.075 0.000 2.708 300 T HA -0.147 4.203 4.350 0.000 0.000 0.266 300 T C 2.249 176.905 174.700 -0.073 0.000 1.037 300 T CA 1.249 63.346 62.100 -0.003 0.000 1.146 300 T CB -0.262 68.609 68.868 0.005 0.000 0.865 300 T HN 0.149 nan 8.240 nan 0.000 0.435 301 L N 1.553 122.730 121.223 -0.076 0.000 2.042 301 L HA -0.037 4.303 4.340 0.000 0.000 0.210 301 L C 2.490 179.198 176.870 -0.269 0.000 1.076 301 L CA 1.862 56.593 54.840 -0.181 0.000 0.749 301 L CB -0.553 41.417 42.059 -0.148 0.000 0.893 301 L HN 0.094 nan 8.230 nan 0.000 0.432 302 R N -0.488 119.856 120.500 -0.260 0.000 2.096 302 R HA -0.128 4.212 4.340 0.000 0.000 0.235 302 R C 2.156 178.322 176.300 -0.222 0.000 1.127 302 R CA 1.399 57.303 56.100 -0.327 0.000 0.968 302 R CB -0.441 29.609 30.300 -0.416 0.000 0.861 302 R HN 0.499 nan 8.270 nan 0.000 0.440 303 A N 0.285 123.017 122.820 -0.147 0.000 1.902 303 A HA -0.088 4.232 4.320 0.000 0.000 0.217 303 A C 2.259 179.755 177.584 -0.147 0.000 1.181 303 A CA 1.581 53.554 52.037 -0.106 0.000 0.623 303 A CB -0.540 18.422 19.000 -0.064 0.000 0.818 303 A HN 0.227 nan 8.150 nan 0.000 0.443 304 V N 0.161 119.948 119.914 -0.211 0.000 2.343 304 V HA -0.268 3.852 4.120 0.000 0.000 0.247 304 V C 2.567 178.434 176.094 -0.378 0.000 1.051 304 V CA 1.989 64.118 62.300 -0.285 0.000 1.036 304 V CB -0.806 30.808 31.823 -0.348 0.000 0.654 304 V HN 0.571 nan 8.190 nan 0.000 0.451 305 L N -0.180 120.765 121.223 -0.462 0.000 2.046 305 L HA -0.221 4.119 4.340 0.000 0.000 0.208 305 L C 2.599 179.367 176.870 -0.171 0.000 1.077 305 L CA 2.099 56.686 54.840 -0.422 0.000 0.747 305 L CB -0.612 41.087 42.059 -0.600 0.000 0.896 305 L HN 0.413 nan 8.230 nan 0.000 0.432 306 E N 0.648 120.772 120.200 -0.125 0.000 2.077 306 E HA -0.213 4.137 4.350 0.000 0.000 0.193 306 E C 2.231 178.828 176.600 -0.005 0.000 0.989 306 E CA 1.049 57.431 56.400 -0.030 0.000 0.800 306 E CB -0.016 29.672 29.700 -0.019 0.000 0.746 306 E HN 0.479 nan 8.360 nan 0.000 0.452 307 L N 0.304 121.511 121.223 -0.025 0.000 2.478 307 L HA -0.012 4.328 4.340 0.000 0.000 0.223 307 L C 0.623 177.509 176.870 0.026 0.000 1.140 307 L CA 0.345 55.193 54.840 0.013 0.000 0.842 307 L CB -0.180 41.871 42.059 -0.013 0.000 0.953 307 L HN 0.188 nan 8.230 nan 0.000 0.452 308 Q N 0.811 120.620 119.800 0.016 0.000 2.435 308 Q HA -0.197 4.143 4.340 0.000 0.000 0.312 308 Q C -0.323 175.758 176.000 0.135 0.000 1.333 308 Q CA 0.195 56.060 55.803 0.103 0.000 0.883 308 Q CB -1.680 27.123 28.738 0.108 0.000 1.170 308 Q HN 0.476 nan 8.270 nan 0.000 0.443 309 L N 1.332 122.611 121.223 0.094 0.000 2.483 309 L HA 0.111 4.451 4.340 0.000 0.000 0.276 309 L C -1.339 175.640 176.870 0.182 0.000 1.213 309 L CA -1.206 53.693 54.840 0.098 0.000 0.843 309 L CB -0.072 41.997 42.059 0.018 0.000 1.107 309 L HN 0.045 nan 8.230 nan 0.000 0.487 310 P HA 0.161 nan 4.420 nan 0.000 0.208 310 P C -0.905 176.441 177.300 0.078 0.000 1.863 310 P CA -0.042 63.100 63.100 0.071 0.000 1.037 310 P CB 0.255 31.979 31.700 0.040 0.000 1.881 311 V N -0.831 119.164 119.914 0.134 0.000 2.962 311 V HA 0.540 4.660 4.120 0.000 0.000 0.313 311 V C -0.518 175.666 176.094 0.150 0.000 1.099 311 V CA -1.416 60.994 62.300 0.185 0.000 0.971 311 V CB 2.232 34.190 31.823 0.225 0.000 1.028 311 V HN 0.021 nan 8.190 nan 0.000 0.430 312 N N 2.201 120.988 118.700 0.145 0.000 2.419 312 N HA 0.623 5.363 4.740 0.000 0.000 0.264 312 N C -1.127 174.504 175.510 0.201 0.000 1.031 312 N CA -0.409 52.684 53.050 0.071 0.000 0.951 312 N CB 1.577 40.066 38.487 0.002 0.000 1.101 312 N HN 0.702 nan 8.380 nan 0.000 0.488 313 L N 3.746 125.094 121.223 0.208 0.000 2.372 313 L HA 0.486 4.826 4.340 0.000 0.000 0.274 313 L C -1.371 175.529 176.870 0.050 0.000 0.988 313 L CA -0.734 54.221 54.840 0.190 0.000 0.833 313 L CB 1.614 43.813 42.059 0.234 0.000 1.236 313 L HN 0.208 nan 8.230 nan 0.000 0.410 314 V N 4.548 124.413 119.914 -0.082 0.000 2.384 314 V HA 0.431 4.551 4.120 0.000 0.000 0.287 314 V C -0.413 175.556 176.094 -0.209 0.000 1.020 314 V CA -0.463 61.675 62.300 -0.271 0.000 0.850 314 V CB 1.360 32.764 31.823 -0.698 0.000 0.987 314 V HN 0.872 nan 8.190 nan 0.000 0.436 315 C N 6.587 125.784 119.300 -0.172 0.000 2.303 315 C HA 0.676 5.136 4.460 0.000 0.000 0.326 315 C C -0.001 174.901 174.990 -0.147 0.000 1.285 315 C CA -0.846 58.086 59.018 -0.143 0.000 1.675 315 C CB 0.217 27.860 27.740 -0.160 0.000 2.289 315 C HN 0.722 nan 8.230 nan 0.000 0.512 316 L N 4.511 125.672 121.223 -0.103 0.000 2.343 316 L HA 0.544 4.884 4.340 0.000 0.000 0.278 316 L C -0.650 176.176 176.870 -0.073 0.000 0.996 316 L CA -0.267 54.530 54.840 -0.071 0.000 0.831 316 L CB 0.783 42.844 42.059 0.005 0.000 1.232 316 L HN 0.510 nan 8.230 nan 0.000 0.413 317 L N 3.613 124.777 121.223 -0.098 0.000 2.280 317 L HA 0.617 4.957 4.340 0.000 0.000 0.287 317 L C 0.326 177.205 176.870 0.014 0.000 1.023 317 L CA -0.508 54.296 54.840 -0.059 0.000 0.819 317 L CB 1.704 43.685 42.059 -0.130 0.000 1.212 317 L HN 0.666 nan 8.230 nan 0.000 0.420 318 A N 3.519 126.388 122.820 0.082 0.000 2.478 318 A HA 0.525 4.845 4.320 0.000 0.000 0.327 318 A C -0.329 177.431 177.584 0.293 0.000 1.431 318 A CA -0.315 51.859 52.037 0.229 0.000 1.014 318 A CB -0.042 19.089 19.000 0.217 0.000 1.143 318 A HN 0.764 nan 8.150 nan 0.000 0.532 319 C N 2.344 121.835 119.300 0.317 0.000 2.351 319 C HA 0.932 5.392 4.460 0.000 0.000 0.326 319 C C 0.655 175.666 174.990 0.036 0.000 1.272 319 C CA 0.034 59.145 59.018 0.156 0.000 1.650 319 C CB 0.272 28.095 27.740 0.137 0.000 2.257 319 C HN 1.097 nan 8.230 nan 0.000 0.505 320 A N 2.419 125.213 122.820 -0.044 0.000 2.599 320 A HA 0.825 5.145 4.320 0.000 0.000 0.290 320 A C -1.561 175.974 177.584 -0.081 0.000 1.101 320 A CA -0.481 51.467 52.037 -0.147 0.000 0.674 320 A CB 1.196 19.999 19.000 -0.329 0.000 1.277 320 A HN 0.801 nan 8.150 nan 0.000 0.419 321 E N 0.637 120.782 120.200 -0.092 0.000 2.199 321 E HA 0.405 4.755 4.350 0.000 0.000 0.265 321 E C -1.319 175.226 176.600 -0.090 0.000 0.882 321 E CA -0.634 55.727 56.400 -0.065 0.000 0.759 321 E CB 1.095 30.773 29.700 -0.037 0.000 1.148 321 E HN 0.538 nan 8.360 nan 0.000 0.412 322 N N 5.460 124.113 118.700 -0.079 0.000 2.500 322 N HA 0.213 4.953 4.740 0.000 0.000 0.236 322 N C -1.226 174.243 175.510 -0.069 0.000 1.022 322 N CA -0.135 52.866 53.050 -0.081 0.000 0.935 322 N CB 0.439 38.885 38.487 -0.069 0.000 1.147 322 N HN 0.465 nan 8.380 nan 0.000 0.512 323 M N 2.777 122.334 119.600 -0.073 0.000 2.602 323 M HA 0.520 5.000 4.480 0.000 0.000 0.312 323 M C -2.353 173.913 176.300 -0.056 0.000 1.181 323 M CA -2.119 53.144 55.300 -0.062 0.000 0.910 323 M CB 1.388 33.950 32.600 -0.064 0.000 1.723 323 M HN 0.299 nan 8.290 nan 0.000 0.459 324 P HA 0.561 nan 4.420 nan 0.000 0.288 324 P C -1.037 176.240 177.300 -0.038 0.000 1.267 324 P CA -0.226 62.850 63.100 -0.039 0.000 0.815 324 P CB 1.217 32.897 31.700 -0.032 0.000 0.989 325 S N -0.069 115.610 115.700 -0.035 0.000 2.669 325 S HA 0.518 4.988 4.470 0.000 0.000 0.266 325 S C 0.810 175.395 174.600 -0.025 0.000 1.149 325 S CA -0.228 57.953 58.200 -0.031 0.000 0.842 325 S CB 0.443 63.621 63.200 -0.037 0.000 1.160 325 S HN 0.424 nan 8.310 nan 0.000 0.487 326 G N -0.606 108.182 108.800 -0.021 0.000 2.848 326 G HA2 0.403 4.363 3.960 0.000 0.000 0.208 326 G HA3 0.403 4.363 3.960 0.000 0.000 0.208 326 G C 0.800 175.693 174.900 -0.012 0.000 1.152 326 G CA 0.358 45.449 45.100 -0.014 0.000 0.789 326 G HN 1.418 nan 8.290 nan 0.000 0.531 327 G N -0.487 108.303 108.800 -0.017 0.000 3.735 327 G HA2 0.525 4.485 3.960 0.000 0.000 0.283 327 G HA3 0.525 4.485 3.960 0.000 0.000 0.283 327 G C 0.515 175.401 174.900 -0.024 0.000 1.007 327 G CA 0.595 45.688 45.100 -0.013 0.000 0.821 327 G HN 0.544 nan 8.290 nan 0.000 0.505 328 A N 0.181 122.982 122.820 -0.032 0.000 2.313 328 A HA 0.634 4.954 4.320 0.000 0.000 0.261 328 A C 0.784 178.351 177.584 -0.028 0.000 1.090 328 A CA -0.002 52.009 52.037 -0.043 0.000 0.807 328 A CB 0.157 19.131 19.000 -0.044 0.000 1.055 328 A HN 0.141 nan 8.150 nan 0.000 0.492 329 T N 1.349 115.882 114.554 -0.034 0.000 2.940 329 T HA 0.335 4.685 4.350 0.000 0.000 0.309 329 T C 0.170 174.864 174.700 -0.010 0.000 1.056 329 T CA 0.669 62.761 62.100 -0.012 0.000 1.137 329 T CB -0.043 68.817 68.868 -0.015 0.000 0.976 329 T HN 0.590 nan 8.240 nan 0.000 0.547 330 R N 3.130 123.630 120.500 -0.000 0.000 2.534 330 R HA 0.418 4.758 4.340 0.000 0.000 0.301 330 R C -2.829 173.473 176.300 0.004 0.000 0.961 330 R CA -2.197 53.903 56.100 -0.001 0.000 0.871 330 R CB 0.739 31.037 30.300 -0.003 0.000 1.170 330 R HN 0.320 nan 8.270 nan 0.000 0.446 331 P HA -0.143 nan 4.420 nan 0.000 0.261 331 P C 0.755 178.064 177.300 0.016 0.000 1.158 331 P CA 1.628 64.736 63.100 0.013 0.000 0.758 331 P CB 0.489 32.196 31.700 0.011 0.000 0.763 332 G N 2.008 110.825 108.800 0.029 0.000 2.217 332 G HA2 -0.197 3.763 3.960 0.000 0.000 0.246 332 G HA3 -0.197 3.763 3.960 0.000 0.000 0.246 332 G C -0.011 174.895 174.900 0.010 0.000 0.990 332 G CA -0.179 44.933 45.100 0.020 0.000 0.627 332 G HN 0.499 nan 8.290 nan 0.000 0.522 333 D N 0.379 120.792 120.400 0.021 0.000 2.399 333 D HA 0.522 5.163 4.640 0.000 0.000 0.241 333 D C 0.742 177.072 176.300 0.050 0.000 1.133 333 D CA 0.429 54.445 54.000 0.027 0.000 0.890 333 D CB 0.873 41.694 40.800 0.035 0.000 1.201 333 D HN 0.364 nan 8.370 nan 0.000 0.432 334 I N 1.564 122.164 120.570 0.050 0.000 2.436 334 I HA 0.288 4.458 4.170 0.000 0.000 0.289 334 I C -0.214 175.951 176.117 0.080 0.000 1.010 334 I CA -0.978 60.368 61.300 0.077 0.000 1.098 334 I CB 1.767 39.811 38.000 0.072 0.000 1.266 334 I HN 0.076 nan 8.210 nan 0.000 0.434 335 V N 1.383 121.359 119.914 0.103 0.000 2.864 335 V HA 0.645 4.765 4.120 0.000 0.000 0.314 335 V C -0.199 175.962 176.094 0.112 0.000 1.073 335 V CA -0.461 61.902 62.300 0.105 0.000 0.956 335 V CB 1.796 33.695 31.823 0.126 0.000 1.023 335 V HN 0.653 nan 8.190 nan 0.000 0.435 336 T N 3.069 117.681 114.554 0.096 0.000 2.744 336 T HA 0.509 4.859 4.350 0.000 0.000 0.291 336 T C 0.487 175.256 174.700 0.115 0.000 0.957 336 T CA 0.198 62.354 62.100 0.094 0.000 1.002 336 T CB 0.702 69.608 68.868 0.063 0.000 0.919 336 T HN 1.225 nan 8.240 nan 0.000 0.468 337 T N 1.418 116.062 114.554 0.149 0.000 2.766 337 T HA 0.233 4.583 4.350 0.000 0.000 0.295 337 T C 1.645 176.430 174.700 0.142 0.000 1.024 337 T CA -0.765 61.440 62.100 0.175 0.000 1.018 337 T CB 0.546 69.588 68.868 0.291 0.000 1.002 337 T HN 0.581 nan 8.240 nan 0.000 0.532 338 M N 1.339 121.021 119.600 0.137 0.000 2.149 338 M HA -0.138 4.342 4.480 0.000 0.000 0.261 338 M C 2.235 178.592 176.300 0.095 0.000 1.064 338 M CA 2.230 57.593 55.300 0.106 0.000 1.102 338 M CB -0.477 32.188 32.600 0.109 0.000 1.369 338 M HN 0.901 nan 8.290 nan 0.000 0.408 339 S N -0.987 114.792 115.700 0.132 0.000 2.474 339 S HA 0.094 4.564 4.470 0.000 0.000 0.235 339 S C 1.580 176.191 174.600 0.020 0.000 0.997 339 S CA 0.909 59.150 58.200 0.068 0.000 0.949 339 S CB -0.399 62.847 63.200 0.076 0.000 0.766 339 S HN 0.817 nan 8.310 nan 0.000 0.517 340 G N 0.148 108.975 108.800 0.045 0.000 2.213 340 G HA2 -0.240 3.720 3.960 0.000 0.000 0.236 340 G HA3 -0.240 3.720 3.960 0.000 0.000 0.236 340 G C -0.095 174.814 174.900 0.015 0.000 0.991 340 G CA 0.026 45.139 45.100 0.022 0.000 0.629 340 G HN 0.607 nan 8.290 nan 0.000 0.517 341 Q N 1.719 121.521 119.800 0.003 0.000 2.364 341 Q HA 0.458 4.799 4.340 0.000 0.000 0.267 341 Q C 0.723 176.764 176.000 0.068 0.000 0.999 341 Q CA 0.772 56.561 55.803 -0.023 0.000 0.886 341 Q CB 0.706 29.345 28.738 -0.164 0.000 1.243 341 Q HN 0.533 nan 8.270 nan 0.000 0.415 342 T N -1.534 113.056 114.554 0.061 0.000 2.882 342 T HA 0.570 4.920 4.350 0.000 0.000 0.287 342 T C -0.208 174.578 174.700 0.144 0.000 0.992 342 T CA -0.817 61.346 62.100 0.104 0.000 1.076 342 T CB 1.058 69.977 68.868 0.086 0.000 0.961 342 T HN 0.260 nan 8.240 nan 0.000 0.490 343 V N 2.465 122.490 119.914 0.185 0.000 2.531 343 V HA 0.419 4.539 4.120 0.000 0.000 0.301 343 V C 0.010 176.221 176.094 0.195 0.000 1.034 343 V CA -0.936 61.510 62.300 0.242 0.000 0.865 343 V CB 1.609 33.639 31.823 0.346 0.000 0.995 343 V HN 1.055 nan 8.190 nan 0.000 0.424 344 E N 4.508 124.824 120.200 0.194 0.000 2.152 344 E HA 0.377 4.727 4.350 0.000 0.000 0.285 344 E C -0.664 176.019 176.600 0.138 0.000 1.043 344 E CA -0.502 55.996 56.400 0.163 0.000 0.839 344 E CB 0.859 30.676 29.700 0.196 0.000 1.069 344 E HN 0.644 nan 8.360 nan 0.000 0.399 345 I N 7.268 127.898 120.570 0.101 0.000 2.243 345 I HA -0.004 4.166 4.170 0.000 0.000 0.297 345 I C 1.028 177.174 176.117 0.049 0.000 1.161 345 I CA -0.031 61.306 61.300 0.062 0.000 1.298 345 I CB 0.281 38.310 38.000 0.048 0.000 1.475 345 I HN 0.665 nan 8.210 nan 0.000 0.561 346 L N 3.812 125.065 121.223 0.050 0.000 2.179 346 L HA 0.001 4.341 4.340 0.000 0.000 0.208 346 L C 0.813 177.697 176.870 0.023 0.000 1.096 346 L CA 0.901 55.770 54.840 0.048 0.000 0.779 346 L CB -0.226 41.868 42.059 0.058 0.000 0.922 346 L HN 0.571 nan 8.230 nan 0.000 0.443 347 N N -1.321 117.382 118.700 0.004 0.000 2.296 347 N HA 0.107 4.847 4.740 0.000 0.000 0.294 347 N C 0.562 176.059 175.510 -0.021 0.000 1.033 347 N CA -0.139 52.906 53.050 -0.008 0.000 0.839 347 N CB 1.561 40.039 38.487 -0.014 0.000 1.395 347 N HN -0.054 nan 8.380 nan 0.000 0.479 348 T N -1.214 113.328 114.554 -0.019 0.000 3.100 348 T HA 0.030 4.380 4.350 0.000 0.000 0.253 348 T C 0.805 175.483 174.700 -0.036 0.000 1.118 348 T CA 0.425 62.508 62.100 -0.028 0.000 1.058 348 T CB 0.002 68.855 68.868 -0.026 0.000 0.953 348 T HN 0.369 nan 8.240 nan 0.000 0.515 349 D N 1.564 121.945 120.400 -0.031 0.000 2.340 349 D HA 0.285 4.925 4.640 0.000 0.000 0.220 349 D C 0.867 177.144 176.300 -0.038 0.000 1.039 349 D CA -0.089 53.893 54.000 -0.030 0.000 0.866 349 D CB -0.203 40.586 40.800 -0.018 0.000 0.913 349 D HN 0.528 nan 8.370 nan 0.000 0.523 350 A N 1.100 123.885 122.820 -0.058 0.000 3.245 350 A HA 0.196 4.516 4.320 0.000 0.000 0.282 350 A C 1.259 178.774 177.584 -0.115 0.000 1.417 350 A CA -0.430 51.550 52.037 -0.094 0.000 1.149 350 A CB -0.140 18.782 19.000 -0.130 0.000 1.155 350 A HN 0.211 nan 8.150 nan 0.000 0.602 351 E N 0.361 120.517 120.200 -0.072 0.000 2.307 351 E HA -0.001 4.349 4.350 0.000 0.000 0.195 351 E C 1.503 178.078 176.600 -0.042 0.000 0.975 351 E CA 1.059 57.422 56.400 -0.062 0.000 0.878 351 E CB -0.746 28.921 29.700 -0.054 0.000 0.845 351 E HN 0.396 nan 8.360 nan 0.000 0.488 352 G N 3.052 111.838 108.800 -0.022 0.000 2.418 352 G HA2 -0.339 3.621 3.960 0.000 0.000 0.217 352 G HA3 -0.339 3.621 3.960 0.000 0.000 0.217 352 G C 1.892 176.803 174.900 0.019 0.000 1.158 352 G CA 1.289 46.402 45.100 0.021 0.000 0.771 352 G HN 0.424 nan 8.290 nan 0.000 0.545 353 R N 0.240 120.711 120.500 -0.048 0.000 2.189 353 R HA 0.143 4.483 4.340 0.000 0.000 0.223 353 R C 2.172 178.473 176.300 0.001 0.000 1.092 353 R CA 0.949 57.016 56.100 -0.055 0.000 0.989 353 R CB -0.530 29.615 30.300 -0.259 0.000 0.876 353 R HN 0.396 nan 8.270 nan 0.000 0.457 354 L N 1.482 122.686 121.223 -0.032 0.000 2.095 354 L HA -0.062 4.278 4.340 0.000 0.000 0.204 354 L C 2.688 179.617 176.870 0.098 0.000 1.080 354 L CA 0.863 55.728 54.840 0.041 0.000 0.759 354 L CB -0.419 41.650 42.059 0.017 0.000 0.914 354 L HN 0.137 nan 8.230 nan 0.000 0.439 355 V N -2.487 117.506 119.914 0.132 0.000 2.548 355 V HA -0.179 3.941 4.120 0.000 0.000 0.249 355 V C 2.204 178.425 176.094 0.213 0.000 1.055 355 V CA 1.173 63.677 62.300 0.340 0.000 1.065 355 V CB -0.610 31.433 31.823 0.367 0.000 0.681 355 V HN 0.317 nan 8.190 nan 0.000 0.462 356 L N 0.956 122.246 121.223 0.113 0.000 2.056 356 L HA -0.145 4.195 4.340 0.000 0.000 0.207 356 L C 3.061 179.917 176.870 -0.023 0.000 1.078 356 L CA 1.874 56.759 54.840 0.076 0.000 0.749 356 L CB -0.837 41.286 42.059 0.107 0.000 0.901 356 L HN 0.696 nan 8.230 nan 0.000 0.433 357 C N -1.464 117.734 119.300 -0.170 0.000 2.440 357 C HA -0.105 4.355 4.460 0.000 0.000 0.278 357 C C 2.244 177.014 174.990 -0.367 0.000 1.295 357 C CA 0.314 58.955 59.018 -0.628 0.000 1.738 357 C CB -0.815 25.960 27.740 -1.608 0.000 1.987 357 C HN 0.469 nan 8.230 nan 0.000 0.492 358 D N 1.025 121.330 120.400 -0.160 0.000 2.144 358 D HA -0.052 4.588 4.640 0.000 0.000 0.200 358 D C 2.362 178.661 176.300 -0.001 0.000 0.978 358 D CA 1.957 55.938 54.000 -0.032 0.000 0.833 358 D CB -0.452 40.361 40.800 0.022 0.000 0.961 358 D HN 0.575 nan 8.370 nan 0.000 0.470 359 T N 1.009 115.544 114.554 -0.031 0.000 2.904 359 T HA -0.012 4.338 4.350 0.000 0.000 0.267 359 T C 2.224 177.017 174.700 0.155 0.000 1.059 359 T CA 0.340 62.451 62.100 0.018 0.000 1.137 359 T CB -0.053 68.796 68.868 -0.032 0.000 0.879 359 T HN 0.120 nan 8.240 nan 0.000 0.467 360 L N 0.773 122.076 121.223 0.134 0.000 2.083 360 L HA -0.101 4.239 4.340 0.000 0.000 0.209 360 L C 2.883 179.915 176.870 0.271 0.000 1.083 360 L CA 1.111 56.089 54.840 0.231 0.000 0.752 360 L CB -0.957 41.195 42.059 0.155 0.000 0.899 360 L HN 0.259 nan 8.230 nan 0.000 0.433 361 T N -1.494 113.179 114.554 0.199 0.000 2.777 361 T HA -0.242 4.108 4.350 0.000 0.000 0.266 361 T C 1.707 176.513 174.700 0.176 0.000 1.040 361 T CA 1.206 63.412 62.100 0.177 0.000 1.141 361 T CB -0.361 68.606 68.868 0.164 0.000 0.868 361 T HN 0.296 nan 8.240 nan 0.000 0.444 362 Y N 1.967 122.309 120.300 0.070 0.000 2.256 362 Y HA -0.084 4.466 4.550 0.000 0.000 0.288 362 Y C 2.441 178.412 175.900 0.119 0.000 1.155 362 Y CA 0.897 59.027 58.100 0.050 0.000 1.203 362 Y CB -0.428 38.044 38.460 0.020 0.000 0.980 362 Y HN 0.200 nan 8.280 nan 0.000 0.530 363 A N 0.040 123.051 122.820 0.319 0.000 2.067 363 A HA -0.171 4.149 4.320 0.000 0.000 0.219 363 A C 1.975 179.719 177.584 0.266 0.000 1.158 363 A CA 1.523 53.784 52.037 0.374 0.000 0.661 363 A CB -0.612 18.531 19.000 0.240 0.000 0.801 363 A HN 0.650 nan 8.150 nan 0.000 0.452 364 E N 0.004 120.345 120.200 0.235 0.000 2.171 364 E HA -0.268 4.082 4.350 0.000 0.000 0.197 364 E C 2.162 178.743 176.600 -0.031 0.000 0.997 364 E CA 1.400 57.915 56.400 0.191 0.000 0.810 364 E CB -0.275 29.483 29.700 0.097 0.000 0.738 364 E HN 0.836 nan 8.360 nan 0.000 0.467 365 R N 0.447 120.780 120.500 -0.279 0.000 2.159 365 R HA -0.133 4.207 4.340 0.000 0.000 0.237 365 R C 1.472 177.479 176.300 -0.487 0.000 1.131 365 R CA 1.356 57.164 56.100 -0.486 0.000 0.982 365 R CB -0.512 29.314 30.300 -0.789 0.000 0.868 365 R HN 0.126 nan 8.270 nan 0.000 0.453 366 F N 1.568 121.467 119.950 -0.084 0.000 2.780 366 F HA 0.202 4.729 4.527 0.000 0.000 0.299 366 F C 0.312 176.080 175.800 -0.053 0.000 1.146 366 F CA 0.016 57.976 58.000 -0.066 0.000 1.428 366 F CB 0.102 39.066 39.000 -0.060 0.000 1.115 366 F HN -0.163 nan 8.300 nan 0.000 0.583 367 K N 0.185 120.636 120.400 0.084 0.000 3.490 367 K HA -0.181 4.139 4.320 0.000 0.000 0.273 367 K C -2.658 173.971 176.600 0.048 0.000 0.916 367 K CA 0.201 56.526 56.287 0.064 0.000 0.718 367 K CB -1.980 30.532 32.500 0.021 0.000 1.477 367 K HN 0.241 nan 8.250 nan 0.000 0.452 368 P HA -0.002 nan 4.420 nan 0.000 0.274 368 P C 0.710 177.970 177.300 -0.068 0.000 1.237 368 P CA -0.155 62.913 63.100 -0.053 0.000 0.793 368 P CB 0.587 32.214 31.700 -0.121 0.000 0.977 369 Q N 1.082 120.772 119.800 -0.184 0.000 2.398 369 Q HA 0.338 4.678 4.340 0.000 0.000 0.204 369 Q C 0.058 176.031 176.000 -0.046 0.000 0.932 369 Q CA 0.129 55.843 55.803 -0.150 0.000 0.916 369 Q CB 0.256 28.824 28.738 -0.284 0.000 1.024 369 Q HN 0.440 nan 8.270 nan 0.000 0.504 370 A N 0.345 123.138 122.820 -0.045 0.000 2.540 370 A HA 0.593 4.913 4.320 0.000 0.000 0.297 370 A C -1.509 176.100 177.584 0.041 0.000 1.056 370 A CA -0.628 51.478 52.037 0.116 0.000 0.700 370 A CB 2.204 21.420 19.000 0.361 0.000 1.280 370 A HN 0.051 nan 8.150 nan 0.000 0.398 371 V N 2.917 122.851 119.914 0.034 0.000 2.483 371 V HA 0.532 4.652 4.120 0.000 0.000 0.297 371 V C -0.689 175.483 176.094 0.129 0.000 1.027 371 V CA -0.171 62.120 62.300 -0.016 0.000 0.855 371 V CB 1.471 33.099 31.823 -0.326 0.000 0.995 371 V HN 0.720 nan 8.190 nan 0.000 0.424 372 I N 4.950 125.559 120.570 0.065 0.000 2.418 372 I HA 0.442 4.612 4.170 0.000 0.000 0.287 372 I C -0.897 175.263 176.117 0.072 0.000 1.008 372 I CA -0.603 60.685 61.300 -0.019 0.000 1.104 372 I CB 2.071 39.993 38.000 -0.129 0.000 1.264 372 I HN 0.682 nan 8.210 nan 0.000 0.438 373 D N 7.172 127.660 120.400 0.146 0.000 2.175 373 D HA 0.614 5.254 4.640 0.000 0.000 0.248 373 D C -0.678 175.704 176.300 0.136 0.000 1.047 373 D CA -0.366 53.765 54.000 0.217 0.000 0.883 373 D CB 2.053 43.091 40.800 0.398 0.000 1.180 373 D HN 0.209 nan 8.370 nan 0.000 0.438 374 I N 0.649 121.286 120.570 0.112 0.000 2.466 374 I HA 0.667 4.837 4.170 0.000 0.000 0.289 374 I C -0.522 175.654 176.117 0.099 0.000 1.026 374 I CA -0.528 60.804 61.300 0.054 0.000 1.078 374 I CB 1.954 39.967 38.000 0.021 0.000 1.249 374 I HN 0.707 nan 8.210 nan 0.000 0.429 375 A N 2.608 125.483 122.820 0.091 0.000 2.566 375 A HA 0.665 4.986 4.320 0.000 0.000 0.297 375 A C -0.328 177.322 177.584 0.110 0.000 1.059 375 A CA -0.690 51.426 52.037 0.131 0.000 0.691 375 A CB 1.205 20.333 19.000 0.213 0.000 1.282 375 A HN 0.669 nan 8.150 nan 0.000 0.401 376 T N 1.106 115.739 114.554 0.130 0.000 3.781 376 T HA 0.319 4.669 4.350 0.000 0.000 0.286 376 T C 0.615 175.394 174.700 0.132 0.000 1.277 376 T CA -0.096 62.096 62.100 0.155 0.000 1.136 376 T CB -0.104 68.932 68.868 0.280 0.000 1.202 376 T HN 0.675 nan 8.240 nan 0.000 0.884 377 L N 2.729 124.018 121.223 0.110 0.000 2.388 377 L HA 0.370 4.710 4.340 0.000 0.000 0.209 377 L C 0.825 177.743 176.870 0.079 0.000 1.061 377 L CA 1.136 56.047 54.840 0.117 0.000 0.834 377 L CB -0.100 42.084 42.059 0.208 0.000 1.029 377 L HN 0.810 nan 8.230 nan 0.000 0.473 378 T N -4.341 110.247 114.554 0.057 0.000 2.921 378 T HA 0.524 4.874 4.350 0.000 0.000 0.297 378 T C 0.958 175.661 174.700 0.004 0.000 1.013 378 T CA -0.260 61.859 62.100 0.032 0.000 0.990 378 T CB 1.327 70.215 68.868 0.032 0.000 1.023 378 T HN 0.121 nan 8.240 nan 0.000 0.447 379 G N 1.421 110.224 108.800 0.005 0.000 2.450 379 G HA2 -0.008 3.952 3.960 0.000 0.000 0.220 379 G HA3 -0.008 3.952 3.960 0.000 0.000 0.220 379 G C 1.626 176.509 174.900 -0.027 0.000 1.130 379 G CA 0.725 45.816 45.100 -0.016 0.000 0.760 379 G HN 1.182 nan 8.290 nan 0.000 0.557 380 A N -0.192 122.619 122.820 -0.015 0.000 1.978 380 A HA -0.136 4.184 4.320 0.000 0.000 0.220 380 A C 2.503 180.068 177.584 -0.032 0.000 1.170 380 A CA 1.708 53.734 52.037 -0.019 0.000 0.636 380 A CB -1.068 17.927 19.000 -0.008 0.000 0.810 380 A HN 0.488 nan 8.150 nan 0.000 0.448 381 C N -0.612 118.667 119.300 -0.035 0.000 2.432 381 C HA 0.030 4.490 4.460 0.000 0.000 0.280 381 C C 2.490 177.433 174.990 -0.080 0.000 1.353 381 C CA 0.828 59.815 59.018 -0.051 0.000 1.766 381 C CB -1.445 26.264 27.740 -0.051 0.000 1.924 381 C HN 0.606 nan 8.230 nan 0.000 0.509 382 I N -0.055 120.459 120.570 -0.094 0.000 2.286 382 I HA -0.104 4.066 4.170 0.000 0.000 0.245 382 I C 2.449 178.509 176.117 -0.096 0.000 1.104 382 I CA 1.094 62.319 61.300 -0.124 0.000 1.397 382 I CB -0.613 37.299 38.000 -0.148 0.000 1.072 382 I HN 0.090 nan 8.210 nan 0.000 0.417 383 V N 1.356 121.229 119.914 -0.069 0.000 2.332 383 V HA -0.301 3.819 4.120 0.000 0.000 0.248 383 V C 2.712 178.773 176.094 -0.055 0.000 1.055 383 V CA 2.173 64.441 62.300 -0.054 0.000 1.038 383 V CB -0.968 30.833 31.823 -0.036 0.000 0.651 383 V HN 0.503 nan 8.190 nan 0.000 0.450 384 A N -1.124 121.663 122.820 -0.054 0.000 1.874 384 A HA 0.080 4.400 4.320 0.000 0.000 0.214 384 A C 1.981 179.519 177.584 -0.076 0.000 1.189 384 A CA 1.425 53.430 52.037 -0.053 0.000 0.615 384 A CB -0.136 18.841 19.000 -0.038 0.000 0.830 384 A HN 0.496 nan 8.150 nan 0.000 0.443 385 L N -2.305 118.868 121.223 -0.083 0.000 3.086 385 L HA 0.367 4.707 4.340 0.000 0.000 0.274 385 L C 1.251 178.057 176.870 -0.106 0.000 1.184 385 L CA 0.163 54.944 54.840 -0.099 0.000 1.002 385 L CB 0.404 42.422 42.059 -0.070 0.000 1.383 385 L HN 0.630 nan 8.230 nan 0.000 0.582 386 G N 0.606 109.332 108.800 -0.122 0.000 2.552 386 G HA2 -0.330 3.630 3.960 0.000 0.000 0.265 386 G HA3 -0.330 3.630 3.960 0.000 0.000 0.265 386 G C 0.571 175.322 174.900 -0.249 0.000 1.234 386 G CA 0.211 45.211 45.100 -0.166 0.000 0.944 386 G HN 0.106 nan 8.290 nan 0.000 0.568 387 S N 0.204 115.666 115.700 -0.396 0.000 2.548 387 S HA 0.146 4.616 4.470 0.000 0.000 0.215 387 S C 1.441 175.720 174.600 -0.536 0.000 0.976 387 S CA 0.988 58.880 58.200 -0.513 0.000 0.908 387 S CB -0.123 62.697 63.200 -0.632 0.000 0.781 387 S HN 0.578 nan 8.310 nan 0.000 0.519 388 H N 0.715 119.724 119.070 -0.102 0.000 2.553 388 H HA 0.261 4.817 4.556 0.000 0.000 0.276 388 H C 0.041 175.330 175.328 -0.065 0.000 0.979 388 H CA 0.663 56.662 56.048 -0.081 0.000 1.268 388 H CB 0.469 30.184 29.762 -0.078 0.000 1.450 388 H HN 0.188 nan 8.280 nan 0.000 0.527 389 T N 1.272 115.833 114.554 0.011 0.000 2.937 389 T HA 0.222 4.572 4.350 0.000 0.000 0.297 389 T C -0.039 174.657 174.700 -0.007 0.000 0.991 389 T CA -0.579 61.536 62.100 0.024 0.000 0.990 389 T CB 2.556 71.441 68.868 0.028 0.000 0.991 389 T HN -0.074 nan 8.240 nan 0.000 0.440 390 T N 2.862 117.412 114.554 -0.005 0.000 2.901 390 T HA 0.427 4.777 4.350 0.000 0.000 0.301 390 T C 1.046 175.729 174.700 -0.028 0.000 1.012 390 T CA -0.305 61.770 62.100 -0.042 0.000 1.135 390 T CB 0.592 69.427 68.868 -0.055 0.000 0.936 390 T HN 0.741 nan 8.240 nan 0.000 0.539 391 G N 2.099 110.860 108.800 -0.065 0.000 2.406 391 G HA2 0.472 4.432 3.960 0.000 0.000 0.251 391 G HA3 0.472 4.432 3.960 0.000 0.000 0.251 391 G C -0.919 173.896 174.900 -0.142 0.000 1.271 391 G CA -0.312 44.750 45.100 -0.062 0.000 0.859 391 G HN 0.595 nan 8.290 nan 0.000 0.540 392 L N 2.486 123.635 121.223 -0.122 0.000 2.410 392 L HA 0.799 5.139 4.340 0.000 0.000 0.270 392 L C -0.395 176.366 176.870 -0.181 0.000 0.983 392 L CA -0.677 54.047 54.840 -0.193 0.000 0.822 392 L CB 1.859 43.816 42.059 -0.171 0.000 1.285 392 L HN 0.580 nan 8.230 nan 0.000 0.409 393 M N 3.189 122.660 119.600 -0.215 0.000 2.631 393 M HA 0.898 5.378 4.480 0.000 0.000 0.288 393 M C -0.239 175.858 176.300 -0.337 0.000 1.260 393 M CA -0.588 54.607 55.300 -0.175 0.000 0.842 393 M CB 2.585 35.170 32.600 -0.025 0.000 1.743 393 M HN 0.763 nan 8.290 nan 0.000 0.461 394 G N 0.494 109.147 108.800 -0.246 0.000 2.495 394 G HA2 0.302 4.262 3.960 0.000 0.000 0.294 394 G HA3 0.302 4.262 3.960 0.000 0.000 0.294 394 G C -1.079 173.859 174.900 0.064 0.000 1.397 394 G CA -0.552 44.353 45.100 -0.326 0.000 0.790 394 G HN 0.785 nan 8.290 nan 0.000 0.486 395 N N -1.013 117.839 118.700 0.254 0.000 2.205 395 N HA 0.161 4.901 4.740 0.000 0.000 0.201 395 N C -0.049 175.570 175.510 0.182 0.000 1.128 395 N CA -0.260 52.971 53.050 0.302 0.000 0.867 395 N CB 0.672 39.408 38.487 0.416 0.000 0.996 395 N HN 0.339 nan 8.380 nan 0.000 0.503 396 N N -0.015 118.763 118.700 0.130 0.000 2.430 396 N HA 0.243 4.983 4.740 0.000 0.000 0.290 396 N C -0.593 174.949 175.510 0.054 0.000 1.063 396 N CA -0.369 52.741 53.050 0.100 0.000 0.883 396 N CB 1.748 40.309 38.487 0.124 0.000 1.465 396 N HN -0.196 nan 8.380 nan 0.000 0.493 397 D N 1.396 121.824 120.400 0.048 0.000 2.144 397 D HA -0.102 4.538 4.640 0.000 0.000 0.200 397 D C 0.590 176.902 176.300 0.019 0.000 0.978 397 D CA 1.127 55.141 54.000 0.022 0.000 0.833 397 D CB 0.275 41.091 40.800 0.026 0.000 0.961 397 D HN 0.600 nan 8.370 nan 0.000 0.470 398 D N 0.122 120.547 120.400 0.041 0.000 2.117 398 D HA -0.125 4.515 4.640 0.000 0.000 0.197 398 D C 2.096 178.434 176.300 0.064 0.000 0.987 398 D CA 0.358 54.388 54.000 0.051 0.000 0.829 398 D CB -0.285 40.555 40.800 0.066 0.000 0.961 398 D HN 0.130 nan 8.370 nan 0.000 0.460 399 L N 0.524 121.789 121.223 0.071 0.000 2.027 399 L HA -0.114 4.226 4.340 0.000 0.000 0.206 399 L C 2.208 179.069 176.870 -0.014 0.000 1.074 399 L CA 1.307 56.190 54.840 0.072 0.000 0.745 399 L CB -0.604 41.494 42.059 0.064 0.000 0.898 399 L HN -0.118 nan 8.230 nan 0.000 0.433 400 V N 0.313 120.198 119.914 -0.048 0.000 2.332 400 V HA -0.255 3.865 4.120 0.000 0.000 0.248 400 V C 2.601 178.646 176.094 -0.080 0.000 1.055 400 V CA 1.914 64.154 62.300 -0.100 0.000 1.038 400 V CB -1.593 30.165 31.823 -0.109 0.000 0.651 400 V HN 0.652 nan 8.190 nan 0.000 0.450 401 G N -1.640 107.135 108.800 -0.042 0.000 2.422 401 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 401 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 401 G C 1.491 176.391 174.900 0.000 0.000 1.140 401 G CA 0.611 45.690 45.100 -0.036 0.000 0.775 401 G HN 0.538 nan 8.290 nan 0.000 0.545 402 Q N -0.462 119.368 119.800 0.050 0.000 2.084 402 Q HA 0.072 4.412 4.340 0.000 0.000 0.202 402 Q C 2.595 178.670 176.000 0.124 0.000 0.978 402 Q CA 0.794 56.676 55.803 0.131 0.000 0.844 402 Q CB -0.171 28.725 28.738 0.264 0.000 0.898 402 Q HN 0.439 nan 8.270 nan 0.000 0.426 403 L N 0.042 121.270 121.223 0.009 0.000 2.109 403 L HA -0.157 4.183 4.340 0.000 0.000 0.207 403 L C 2.204 179.046 176.870 -0.046 0.000 1.086 403 L CA 0.649 55.443 54.840 -0.078 0.000 0.760 403 L CB -0.276 41.653 42.059 -0.217 0.000 0.910 403 L HN 0.243 nan 8.230 nan 0.000 0.437 404 L N -0.309 120.878 121.223 -0.060 0.000 2.012 404 L HA -0.273 4.067 4.340 0.000 0.000 0.210 404 L C 2.179 179.042 176.870 -0.012 0.000 1.073 404 L CA 1.605 56.412 54.840 -0.056 0.000 0.748 404 L CB -0.545 41.448 42.059 -0.110 0.000 0.891 404 L HN 0.272 nan 8.230 nan 0.000 0.431 405 D N -0.319 120.083 120.400 0.003 0.000 2.117 405 D HA -0.144 4.497 4.640 0.000 0.000 0.198 405 D C 2.173 178.499 176.300 0.042 0.000 0.982 405 D CA 1.185 55.199 54.000 0.023 0.000 0.828 405 D CB 0.116 40.933 40.800 0.028 0.000 0.967 405 D HN 0.260 nan 8.370 nan 0.000 0.464 406 A N 0.097 122.953 122.820 0.059 0.000 1.883 406 A HA -0.059 4.261 4.320 0.000 0.000 0.217 406 A C 2.374 179.988 177.584 0.050 0.000 1.186 406 A CA 2.106 54.185 52.037 0.070 0.000 0.624 406 A CB -1.395 17.676 19.000 0.118 0.000 0.822 406 A HN 0.364 nan 8.150 nan 0.000 0.444 407 G N -0.510 108.310 108.800 0.033 0.000 2.422 407 G HA2 -0.224 3.736 3.960 0.000 0.000 0.218 407 G HA3 -0.224 3.736 3.960 0.000 0.000 0.218 407 G C 1.674 176.599 174.900 0.042 0.000 1.146 407 G CA 1.097 46.215 45.100 0.030 0.000 0.769 407 G HN 0.593 nan 8.290 nan 0.000 0.547 408 K N -0.035 120.392 120.400 0.045 0.000 2.057 408 K HA -0.007 4.313 4.320 0.000 0.000 0.207 408 K C 2.691 179.322 176.600 0.052 0.000 1.049 408 K CA 0.852 57.170 56.287 0.051 0.000 0.931 408 K CB -0.152 32.377 32.500 0.049 0.000 0.714 408 K HN 0.139 nan 8.250 nan 0.000 0.440 409 R N 0.165 120.699 120.500 0.056 0.000 2.115 409 R HA -0.019 4.321 4.340 0.000 0.000 0.230 409 R C 2.022 178.362 176.300 0.066 0.000 1.111 409 R CA 1.053 57.195 56.100 0.070 0.000 0.976 409 R CB -0.061 30.291 30.300 0.087 0.000 0.870 409 R HN 0.151 nan 8.270 nan 0.000 0.445 410 A N 0.649 123.502 122.820 0.055 0.000 2.218 410 A HA -0.038 4.282 4.320 0.000 0.000 0.209 410 A C 0.244 177.850 177.584 0.037 0.000 1.168 410 A CA 0.425 52.489 52.037 0.045 0.000 0.804 410 A CB 0.139 19.163 19.000 0.039 0.000 0.834 410 A HN 0.368 nan 8.150 nan 0.000 0.482 411 D N -0.807 119.617 120.400 0.041 0.000 2.699 411 D HA -0.169 4.471 4.640 0.000 0.000 0.239 411 D C -0.575 175.743 176.300 0.031 0.000 1.136 411 D CA 1.283 55.305 54.000 0.037 0.000 0.668 411 D CB -1.203 39.620 40.800 0.039 0.000 1.060 411 D HN 0.430 nan 8.370 nan 0.000 0.429 412 D N 0.164 120.583 120.400 0.031 0.000 2.621 412 D HA 0.221 4.861 4.640 0.000 0.000 0.274 412 D C -0.288 176.028 176.300 0.027 0.000 1.215 412 D CA -0.441 53.574 54.000 0.023 0.000 0.810 412 D CB 0.161 40.970 40.800 0.015 0.000 1.248 412 D HN 0.230 nan 8.370 nan 0.000 0.517 413 R N 0.680 121.205 120.500 0.042 0.000 2.539 413 R HA 0.722 5.062 4.340 0.000 0.000 0.275 413 R C 0.098 176.436 176.300 0.063 0.000 1.077 413 R CA -0.244 55.895 56.100 0.064 0.000 1.097 413 R CB 1.363 31.720 30.300 0.096 0.000 1.018 413 R HN 0.325 nan 8.270 nan 0.000 0.483 414 A N 2.145 125.010 122.820 0.074 0.000 2.389 414 A HA 0.669 4.989 4.320 0.000 0.000 0.293 414 A C -1.765 175.937 177.584 0.197 0.000 1.186 414 A CA -0.589 51.495 52.037 0.078 0.000 0.828 414 A CB 1.654 20.645 19.000 -0.014 0.000 1.369 414 A HN 0.742 nan 8.150 nan 0.000 0.446 415 W N 0.645 121.901 121.300 -0.073 0.000 3.425 415 W HA 0.351 5.011 4.660 -0.000 0.000 0.318 415 W C -1.259 175.211 176.519 -0.081 0.000 1.201 415 W CA -0.174 57.134 57.345 -0.062 0.000 1.212 415 W CB 1.441 30.870 29.460 -0.051 0.000 1.355 415 W HN 0.945 nan 8.180 nan 0.000 0.515 416 Q N 3.782 123.293 119.800 -0.481 0.000 2.340 416 Q HA 0.484 4.824 4.340 0.000 0.000 0.249 416 Q C -1.090 174.825 176.000 -0.142 0.000 0.957 416 Q CA 0.101 55.732 55.803 -0.287 0.000 0.882 416 Q CB 1.149 29.686 28.738 -0.336 0.000 1.235 416 Q HN 0.556 nan 8.270 nan 0.000 0.439 417 L N 5.000 126.164 121.223 -0.098 0.000 2.354 417 L HA 0.622 4.962 4.340 0.000 0.000 0.269 417 L C -2.210 174.544 176.870 -0.194 0.000 1.005 417 L CA -2.320 52.460 54.840 -0.100 0.000 0.819 417 L CB 2.086 44.102 42.059 -0.072 0.000 1.311 417 L HN 0.656 nan 8.230 nan 0.000 0.423 418 P HA 0.217 nan 4.420 nan 0.000 0.284 418 P C -0.738 176.331 177.300 -0.385 0.000 1.253 418 P CA -0.330 62.457 63.100 -0.522 0.000 0.800 418 P CB 1.268 32.207 31.700 -1.268 0.000 0.961 419 L N 2.731 123.853 121.223 -0.169 0.000 3.048 419 L HA 0.289 4.630 4.340 0.000 0.000 0.234 419 L C 0.198 177.234 176.870 0.276 0.000 1.318 419 L CA -0.748 54.126 54.840 0.056 0.000 1.109 419 L CB -0.692 41.456 42.059 0.149 0.000 1.480 419 L HN 0.172 nan 8.230 nan 0.000 0.495 420 F N 0.364 120.529 119.950 0.358 0.000 2.595 420 F HA -0.088 4.439 4.527 0.000 0.000 0.359 420 F C 1.684 177.619 175.800 0.226 0.000 1.147 420 F CA -0.124 58.039 58.000 0.271 0.000 1.341 420 F CB 0.213 39.343 39.000 0.217 0.000 1.104 420 F HN 0.199 nan 8.300 nan 0.000 0.603 421 D N 0.808 121.389 120.400 0.302 0.000 2.218 421 D HA -0.150 4.490 4.640 0.000 0.000 0.204 421 D C 1.625 177.988 176.300 0.106 0.000 0.976 421 D CA 1.227 55.327 54.000 0.167 0.000 0.853 421 D CB 0.163 41.015 40.800 0.086 0.000 0.939 421 D HN 0.557 nan 8.370 nan 0.000 0.481 422 E N -0.990 119.226 120.200 0.027 0.000 2.209 422 E HA -0.171 4.179 4.350 0.000 0.000 0.196 422 E C 1.373 177.904 176.600 -0.115 0.000 0.993 422 E CA 0.836 57.176 56.400 -0.099 0.000 0.819 422 E CB -0.313 29.245 29.700 -0.237 0.000 0.745 422 E HN 0.589 nan 8.360 nan 0.000 0.477 423 Y N 0.317 120.698 120.300 0.135 0.000 2.457 423 Y HA -0.085 4.465 4.550 0.000 0.000 0.292 423 Y C 2.141 178.098 175.900 0.094 0.000 1.125 423 Y CA 0.416 58.582 58.100 0.110 0.000 1.254 423 Y CB 0.167 38.695 38.460 0.114 0.000 1.012 423 Y HN -0.000 nan 8.280 nan 0.000 0.555 424 Q N 0.882 120.810 119.800 0.213 0.000 2.170 424 Q HA -0.207 4.133 4.340 0.000 0.000 0.203 424 Q C 1.900 177.967 176.000 0.112 0.000 0.976 424 Q CA 1.678 57.572 55.803 0.151 0.000 0.858 424 Q CB -0.420 28.380 28.738 0.104 0.000 0.907 424 Q HN 0.765 nan 8.270 nan 0.000 0.433 425 E N 0.314 120.563 120.200 0.083 0.000 2.333 425 E HA -0.199 4.151 4.350 0.000 0.000 0.198 425 E C 1.529 178.171 176.600 0.070 0.000 1.007 425 E CA 0.685 57.118 56.400 0.056 0.000 0.845 425 E CB -0.219 29.499 29.700 0.030 0.000 0.766 425 E HN 0.403 nan 8.360 nan 0.000 0.507 426 Q N 0.443 120.305 119.800 0.103 0.000 2.364 426 Q HA -0.021 4.319 4.340 0.000 0.000 0.209 426 Q C 1.903 177.967 176.000 0.107 0.000 0.977 426 Q CA 0.849 56.716 55.803 0.106 0.000 0.885 426 Q CB -0.034 28.789 28.738 0.141 0.000 0.941 426 Q HN 0.424 nan 8.270 nan 0.000 0.464 427 L N 0.459 121.755 121.223 0.123 0.000 2.591 427 L HA 0.063 4.403 4.340 0.000 0.000 0.228 427 L C -0.031 176.903 176.870 0.107 0.000 1.133 427 L CA -0.374 54.552 54.840 0.143 0.000 0.880 427 L CB 0.046 42.226 42.059 0.202 0.000 1.033 427 L HN 0.035 nan 8.230 nan 0.000 0.450 428 D N 0.761 121.201 120.400 0.067 0.000 2.472 428 D HA 0.065 4.705 4.640 0.000 0.000 0.237 428 D C 0.237 176.551 176.300 0.023 0.000 1.141 428 D CA 0.511 54.532 54.000 0.034 0.000 0.875 428 D CB 1.189 41.995 40.800 0.009 0.000 1.192 428 D HN -0.075 nan 8.370 nan 0.000 0.450 429 S N 1.196 116.898 115.700 0.003 0.000 2.526 429 S HA 0.493 4.963 4.470 0.000 0.000 0.293 429 S C -2.040 172.472 174.600 -0.147 0.000 1.092 429 S CA -1.440 56.744 58.200 -0.028 0.000 0.980 429 S CB 1.678 64.918 63.200 0.067 0.000 1.048 429 S HN 0.101 nan 8.310 nan 0.000 0.483 430 P HA 0.138 nan 4.420 nan 0.000 0.233 430 P C 0.327 177.259 177.300 -0.613 0.000 1.167 430 P CA 0.761 63.509 63.100 -0.587 0.000 0.770 430 P CB -0.036 31.089 31.700 -0.958 0.000 0.837 431 F N -0.473 119.494 119.950 0.030 0.000 2.537 431 F HA 0.422 4.949 4.527 0.000 0.000 0.277 431 F C 1.607 177.426 175.800 0.030 0.000 1.013 431 F CA -0.188 57.829 58.000 0.028 0.000 1.332 431 F CB -0.949 38.070 39.000 0.031 0.000 1.108 431 F HN -0.179 nan 8.300 nan 0.000 0.679 432 A N -0.100 122.839 122.820 0.198 0.000 2.312 432 A HA 0.433 4.753 4.320 0.000 0.000 0.310 432 A C 0.582 178.214 177.584 0.080 0.000 1.139 432 A CA -0.332 51.790 52.037 0.141 0.000 0.886 432 A CB 0.156 19.253 19.000 0.161 0.000 1.350 432 A HN 0.091 nan 8.150 nan 0.000 0.479 433 D N -0.234 120.202 120.400 0.061 0.000 2.219 433 D HA 0.010 4.650 4.640 0.000 0.000 0.205 433 D C 0.654 176.968 176.300 0.023 0.000 0.970 433 D CA 1.933 55.943 54.000 0.016 0.000 0.851 433 D CB -0.133 40.655 40.800 -0.020 0.000 0.943 433 D HN 0.609 nan 8.370 nan 0.000 0.488 434 M N -2.532 117.116 119.600 0.079 0.000 2.732 434 M HA 0.571 5.051 4.480 0.000 0.000 0.272 434 M C -0.465 175.952 176.300 0.196 0.000 1.203 434 M CA -1.000 54.372 55.300 0.121 0.000 0.841 434 M CB 1.931 34.607 32.600 0.125 0.000 1.685 434 M HN -0.196 nan 8.290 nan 0.000 0.492 435 G N 0.538 109.462 108.800 0.207 0.000 2.511 435 G HA2 0.434 4.394 3.960 0.000 0.000 0.316 435 G HA3 0.434 4.394 3.960 0.000 0.000 0.316 435 G C 0.117 175.186 174.900 0.281 0.000 1.210 435 G CA -0.401 44.827 45.100 0.213 0.000 0.969 435 G HN 0.946 nan 8.290 nan 0.000 0.492 436 N N -1.022 117.759 118.700 0.136 0.000 2.280 436 N HA 0.036 4.776 4.740 0.000 0.000 0.192 436 N C 0.502 175.916 175.510 -0.159 0.000 1.109 436 N CA 0.020 52.995 53.050 -0.126 0.000 0.855 436 N CB 0.033 38.369 38.487 -0.252 0.000 0.974 436 N HN 0.627 nan 8.380 nan 0.000 0.482 437 I N -5.507 115.059 120.570 -0.007 0.000 2.934 437 I HA 0.730 4.900 4.170 0.000 0.000 0.306 437 I C 0.393 176.544 176.117 0.057 0.000 1.110 437 I CA -1.366 59.936 61.300 0.002 0.000 1.019 437 I CB 2.217 40.217 38.000 0.001 0.000 1.227 437 I HN -0.211 nan 8.210 nan 0.000 0.434 438 G N 1.638 110.472 108.800 0.058 0.000 3.377 438 G HA2 0.585 4.545 3.960 0.000 0.000 0.257 438 G HA3 0.585 4.545 3.960 0.000 0.000 0.257 438 G C 0.539 175.482 174.900 0.072 0.000 1.038 438 G CA -0.079 45.071 45.100 0.083 0.000 0.809 438 G HN 1.468 nan 8.290 nan 0.000 0.526 439 G N 0.862 109.694 108.800 0.052 0.000 2.760 439 G HA2 -0.108 3.852 3.960 0.000 0.000 0.246 439 G HA3 -0.108 3.852 3.960 0.000 0.000 0.246 439 G C -0.999 173.928 174.900 0.045 0.000 1.359 439 G CA -0.126 45.002 45.100 0.047 0.000 0.861 439 G HN 0.158 nan 8.290 nan 0.000 0.541 440 P HA 0.119 nan 4.420 nan 0.000 0.237 440 P C 0.383 177.709 177.300 0.043 0.000 1.178 440 P CA 0.892 64.013 63.100 0.035 0.000 0.766 440 P CB 0.159 31.877 31.700 0.030 0.000 0.876 441 K N 0.582 121.019 120.400 0.061 0.000 2.183 441 K HA 0.526 4.846 4.320 0.000 0.000 0.274 441 K C 0.251 176.904 176.600 0.087 0.000 1.009 441 K CA -0.275 56.061 56.287 0.080 0.000 0.888 441 K CB 1.000 33.563 32.500 0.106 0.000 1.078 441 K HN -0.062 nan 8.250 nan 0.000 0.459 442 A N 2.363 125.218 122.820 0.060 0.000 2.800 442 A HA -0.169 4.151 4.320 0.000 0.000 0.292 442 A C 1.199 178.767 177.584 -0.026 0.000 1.474 442 A CA 0.815 52.847 52.037 -0.009 0.000 0.744 442 A CB -2.192 16.796 19.000 -0.020 0.000 1.044 442 A HN 1.084 nan 8.150 nan 0.000 0.489 443 G N -1.031 107.767 108.800 -0.002 0.000 2.422 443 G HA2 0.012 3.972 3.960 0.000 0.000 0.218 443 G HA3 0.012 3.972 3.960 0.000 0.000 0.218 443 G C 1.333 176.236 174.900 0.005 0.000 1.140 443 G CA 1.859 46.964 45.100 0.008 0.000 0.775 443 G HN 0.792 nan 8.290 nan 0.000 0.545 444 T N 1.280 115.829 114.554 -0.008 0.000 2.777 444 T HA -0.011 4.339 4.350 0.000 0.000 0.266 444 T C 2.360 177.070 174.700 0.018 0.000 1.040 444 T CA 0.756 62.867 62.100 0.018 0.000 1.141 444 T CB -0.094 68.771 68.868 -0.004 0.000 0.868 444 T HN 0.237 nan 8.240 nan 0.000 0.444 445 I N 1.784 122.304 120.570 -0.082 0.000 2.315 445 I HA -0.155 4.015 4.170 0.000 0.000 0.248 445 I C 2.873 178.957 176.117 -0.055 0.000 1.117 445 I CA 1.431 62.634 61.300 -0.162 0.000 1.404 445 I CB -0.536 37.149 38.000 -0.525 0.000 1.071 445 I HN 0.394 nan 8.210 nan 0.000 0.419 446 T N -1.146 113.401 114.554 -0.012 0.000 2.951 446 T HA 0.042 4.392 4.350 0.000 0.000 0.268 446 T C 1.957 176.736 174.700 0.131 0.000 1.073 446 T CA 0.755 62.907 62.100 0.087 0.000 1.134 446 T CB -0.286 68.646 68.868 0.107 0.000 0.884 446 T HN 0.303 nan 8.240 nan 0.000 0.479 447 A N 1.965 124.841 122.820 0.093 0.000 1.898 447 A HA 0.278 4.598 4.320 0.000 0.000 0.216 447 A C 2.711 180.375 177.584 0.133 0.000 1.181 447 A CA 1.526 53.620 52.037 0.096 0.000 0.620 447 A CB -1.604 17.434 19.000 0.063 0.000 0.819 447 A HN 0.577 nan 8.150 nan 0.000 0.442 448 G N -0.853 108.031 108.800 0.140 0.000 2.440 448 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 448 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 448 G C 1.596 176.669 174.900 0.289 0.000 1.154 448 G CA 1.329 46.553 45.100 0.207 0.000 0.767 448 G HN 0.514 nan 8.290 nan 0.000 0.552 449 C N -0.329 119.107 119.300 0.227 0.000 2.429 449 C HA 0.004 4.464 4.460 0.000 0.000 0.277 449 C C 2.425 177.539 174.990 0.208 0.000 1.262 449 C CA 0.726 59.871 59.018 0.212 0.000 1.733 449 C CB -1.200 26.659 27.740 0.198 0.000 2.010 449 C HN 0.485 nan 8.230 nan 0.000 0.483 450 F N 1.407 121.421 119.950 0.107 0.000 2.095 450 F HA -0.164 4.363 4.527 0.000 0.000 0.298 450 F C 2.092 178.009 175.800 0.195 0.000 1.104 450 F CA 1.707 59.792 58.000 0.142 0.000 1.232 450 F CB -0.401 38.669 39.000 0.117 0.000 0.987 450 F HN 0.120 nan 8.300 nan 0.000 0.475 451 L N 0.007 121.426 121.223 0.326 0.000 2.141 451 L HA -0.201 4.139 4.340 0.000 0.000 0.209 451 L C 2.728 179.465 176.870 -0.222 0.000 1.094 451 L CA 1.306 56.230 54.840 0.139 0.000 0.763 451 L CB -1.030 41.130 42.059 0.168 0.000 0.908 451 L HN 0.338 nan 8.230 nan 0.000 0.437 452 S N 0.076 115.615 115.700 -0.268 0.000 2.419 452 S HA -0.204 4.266 4.470 0.000 0.000 0.235 452 S C 1.955 176.316 174.600 -0.399 0.000 1.019 452 S CA 0.795 58.659 58.200 -0.561 0.000 0.982 452 S CB -0.436 62.749 63.200 -0.024 0.000 0.789 452 S HN 0.420 nan 8.310 nan 0.000 0.490 453 R N -0.352 119.960 120.500 -0.313 0.000 2.328 453 R HA 0.115 4.455 4.340 0.000 0.000 0.207 453 R C 0.448 176.294 176.300 -0.757 0.000 1.056 453 R CA 0.955 56.743 56.100 -0.520 0.000 1.016 453 R CB -0.310 29.587 30.300 -0.670 0.000 0.872 453 R HN 0.550 nan 8.270 nan 0.000 0.471 454 F N -1.480 118.215 119.950 -0.424 0.000 2.682 454 F HA 0.317 4.844 4.527 0.000 0.000 0.308 454 F C 1.406 176.933 175.800 -0.454 0.000 1.093 454 F CA -0.278 57.504 58.000 -0.362 0.000 1.244 454 F CB 0.794 39.630 39.000 -0.273 0.000 1.052 454 F HN -0.108 nan 8.300 nan 0.000 0.573 455 A N -0.541 121.974 122.820 -0.507 0.000 2.503 455 A HA 0.219 4.539 4.320 0.000 0.000 0.263 455 A C 1.683 178.870 177.584 -0.663 0.000 1.258 455 A CA -0.171 51.432 52.037 -0.724 0.000 0.936 455 A CB -0.263 18.029 19.000 -1.181 0.000 1.070 455 A HN 0.169 nan 8.150 nan 0.000 0.522 456 K N 0.019 120.127 120.400 -0.486 0.000 2.439 456 K HA 0.052 4.372 4.320 0.000 0.000 0.197 456 K C 1.719 178.129 176.600 -0.317 0.000 1.041 456 K CA 0.839 56.940 56.287 -0.309 0.000 0.970 456 K CB -0.015 32.342 32.500 -0.239 0.000 0.773 456 K HN 0.436 nan 8.250 nan 0.000 0.479 457 A N 0.800 123.315 122.820 -0.509 0.000 2.206 457 A HA -0.006 4.314 4.320 0.000 0.000 0.211 457 A C 0.152 177.637 177.584 -0.165 0.000 1.158 457 A CA 0.597 52.435 52.037 -0.331 0.000 0.761 457 A CB -0.304 18.524 19.000 -0.287 0.000 0.801 457 A HN 0.350 nan 8.150 nan 0.000 0.473 458 Y N -3.932 116.395 120.300 0.044 0.000 2.725 458 Y HA 0.506 5.056 4.550 0.000 0.000 0.333 458 Y C -0.962 175.020 175.900 0.137 0.000 1.242 458 Y CA -2.779 55.369 58.100 0.081 0.000 1.059 458 Y CB -0.200 38.313 38.460 0.089 0.000 1.306 458 Y HN 0.004 nan 8.280 nan 0.000 0.454 459 N N 0.743 119.699 118.700 0.427 0.000 2.442 459 N HA 0.340 5.081 4.740 0.000 0.000 0.265 459 N C -1.741 174.050 175.510 0.468 0.000 1.138 459 N CA -0.092 53.168 53.050 0.349 0.000 0.956 459 N CB 0.752 39.370 38.487 0.219 0.000 1.067 459 N HN 0.699 nan 8.380 nan 0.000 0.474 460 W N 3.176 124.614 121.300 0.230 0.000 3.022 460 W HA 0.703 5.363 4.660 -0.000 0.000 0.335 460 W C -1.738 174.864 176.519 0.139 0.000 1.133 460 W CA -0.581 56.900 57.345 0.227 0.000 1.219 460 W CB 1.030 30.705 29.460 0.358 0.000 1.409 460 W HN 0.450 nan 8.180 nan 0.000 0.507 461 A N 4.193 126.592 122.820 -0.701 0.000 2.515 461 A HA 0.633 4.953 4.320 0.000 0.000 0.296 461 A C -2.063 174.896 177.584 -1.042 0.000 1.094 461 A CA -0.674 50.795 52.037 -0.947 0.000 0.718 461 A CB 1.744 20.471 19.000 -0.455 0.000 1.307 461 A HN 0.872 nan 8.150 nan 0.000 0.408 462 H N 1.662 120.190 119.070 -0.903 0.000 2.667 462 H HA 0.660 5.216 4.556 0.000 0.000 0.353 462 H C -1.677 173.510 175.328 -0.234 0.000 1.072 462 H CA -0.790 55.012 56.048 -0.409 0.000 1.214 462 H CB 1.198 30.793 29.762 -0.278 0.000 1.600 462 H HN 0.629 nan 8.280 nan 0.000 0.527 463 M N 4.331 123.607 119.600 -0.540 0.000 2.125 463 M HA 0.113 4.594 4.480 0.000 0.000 0.321 463 M C -0.865 175.143 176.300 -0.486 0.000 0.983 463 M CA -0.731 54.297 55.300 -0.455 0.000 0.934 463 M CB 1.668 34.129 32.600 -0.231 0.000 1.542 463 M HN 0.471 nan 8.290 nan 0.000 0.424 464 D N 4.829 124.957 120.400 -0.454 0.000 2.428 464 D HA 0.295 4.935 4.640 0.000 0.000 0.221 464 D C 0.216 176.438 176.300 -0.129 0.000 1.123 464 D CA -0.286 53.573 54.000 -0.234 0.000 0.869 464 D CB 0.687 41.389 40.800 -0.163 0.000 1.032 464 D HN 0.698 nan 8.370 nan 0.000 0.506 465 I N 0.697 121.223 120.570 -0.074 0.000 3.889 465 I HA 0.361 4.531 4.170 0.000 0.000 0.332 465 I C 1.504 177.578 176.117 -0.071 0.000 1.493 465 I CA -0.600 60.662 61.300 -0.063 0.000 1.158 465 I CB 0.584 38.571 38.000 -0.023 0.000 1.117 465 I HN 0.168 nan 8.210 nan 0.000 0.411 466 A N 1.788 124.563 122.820 -0.075 0.000 1.978 466 A HA -0.043 4.277 4.320 0.000 0.000 0.220 466 A C 2.242 179.591 177.584 -0.392 0.000 1.170 466 A CA 1.967 53.918 52.037 -0.142 0.000 0.636 466 A CB -1.000 17.956 19.000 -0.073 0.000 0.810 466 A HN 0.592 nan 8.150 nan 0.000 0.448 467 G N -1.667 106.947 108.800 -0.310 0.000 2.662 467 G HA2 0.107 4.067 3.960 0.000 0.000 0.212 467 G HA3 0.107 4.067 3.960 0.000 0.000 0.212 467 G C 1.368 176.043 174.900 -0.374 0.000 1.141 467 G CA 1.452 46.327 45.100 -0.376 0.000 0.797 467 G HN 0.674 nan 8.290 nan 0.000 0.531 468 T N -2.840 111.556 114.554 -0.263 0.000 3.023 468 T HA 0.503 4.853 4.350 0.000 0.000 0.253 468 T C 2.107 176.731 174.700 -0.126 0.000 1.038 468 T CA 0.894 62.884 62.100 -0.185 0.000 0.962 468 T CB 0.771 69.573 68.868 -0.110 0.000 1.018 468 T HN 0.160 nan 8.240 nan 0.000 0.521 469 A N 0.890 123.650 122.820 -0.101 0.000 2.123 469 A HA 0.533 4.853 4.320 0.000 0.000 0.214 469 A C 0.506 178.225 177.584 0.226 0.000 1.152 469 A CA -0.127 51.963 52.037 0.089 0.000 0.728 469 A CB -0.484 18.654 19.000 0.230 0.000 0.814 469 A HN 0.866 nan 8.150 nan 0.000 0.464 470 W N -2.688 118.567 121.300 -0.075 0.000 3.074 470 W HA 0.700 5.360 4.660 0.000 0.000 0.332 470 W C -1.647 174.827 176.519 -0.075 0.000 1.253 470 W CA -1.209 56.088 57.345 -0.080 0.000 1.180 470 W CB 0.328 29.741 29.460 -0.079 0.000 1.445 470 W HN -0.134 nan 8.180 nan 0.000 0.573 471 I N 3.206 123.865 120.570 0.149 0.000 2.377 471 I HA 0.412 4.582 4.170 0.000 0.000 0.293 471 I C 0.195 176.426 176.117 0.190 0.000 0.987 471 I CA -0.995 60.328 61.300 0.038 0.000 1.185 471 I CB 2.031 40.045 38.000 0.024 0.000 1.341 471 I HN 0.538 nan 8.210 nan 0.000 0.455 472 S N 2.996 118.750 115.700 0.091 0.000 2.112 472 S HA 0.335 4.805 4.470 0.000 0.000 0.151 472 S C 0.705 175.368 174.600 0.105 0.000 1.723 472 S CA -0.431 57.890 58.200 0.200 0.000 1.263 472 S CB 0.848 64.192 63.200 0.241 0.000 1.194 472 S HN 0.838 nan 8.310 nan 0.000 0.419 473 G N 2.022 110.872 108.800 0.083 0.000 2.484 473 G HA2 0.396 4.356 3.960 0.000 0.000 0.215 473 G HA3 0.396 4.356 3.960 0.000 0.000 0.215 473 G C 1.047 175.971 174.900 0.040 0.000 1.219 473 G CA 0.566 45.713 45.100 0.079 0.000 0.791 473 G HN 1.785 nan 8.290 nan 0.000 0.550 474 G N -0.801 108.011 108.800 0.020 0.000 2.660 474 G HA2 -0.179 3.781 3.960 0.000 0.000 0.215 474 G HA3 -0.179 3.781 3.960 0.000 0.000 0.215 474 G C 0.461 175.374 174.900 0.022 0.000 1.345 474 G CA 0.336 45.445 45.100 0.015 0.000 0.877 474 G HN 0.541 nan 8.290 nan 0.000 0.549 475 K N 0.213 120.625 120.400 0.020 0.000 2.393 475 K HA 0.216 4.536 4.320 0.000 0.000 0.193 475 K C -0.465 176.154 176.600 0.032 0.000 1.026 475 K CA 0.622 56.924 56.287 0.024 0.000 1.064 475 K CB 0.379 32.891 32.500 0.019 0.000 0.833 475 K HN 0.420 nan 8.250 nan 0.000 0.521 476 D N 1.258 121.679 120.400 0.034 0.000 2.629 476 D HA 0.312 4.952 4.640 0.000 0.000 0.250 476 D C -1.032 175.298 176.300 0.050 0.000 1.126 476 D CA -0.368 53.660 54.000 0.045 0.000 0.852 476 D CB 1.828 42.655 40.800 0.045 0.000 1.335 476 D HN -0.166 nan 8.370 nan 0.000 0.518 477 K N 1.170 121.608 120.400 0.063 0.000 2.561 477 K HA 0.619 4.940 4.320 0.000 0.000 0.254 477 K C -0.810 175.834 176.600 0.074 0.000 0.942 477 K CA -0.558 55.773 56.287 0.074 0.000 0.818 477 K CB 1.999 34.539 32.500 0.066 0.000 1.306 477 K HN 0.656 nan 8.250 nan 0.000 0.435 478 G N 1.132 109.987 108.800 0.091 0.000 2.369 478 G HA2 0.317 4.277 3.960 0.000 0.000 0.307 478 G HA3 0.317 4.277 3.960 0.000 0.000 0.307 478 G C -1.434 173.501 174.900 0.058 0.000 1.327 478 G CA -0.484 44.635 45.100 0.031 0.000 0.963 478 G HN 0.681 nan 8.290 nan 0.000 0.590 479 A N 0.030 122.828 122.820 -0.037 0.000 2.498 479 A HA 0.653 4.973 4.320 0.000 0.000 0.239 479 A C 1.289 178.837 177.584 -0.058 0.000 1.068 479 A CA 1.343 53.370 52.037 -0.016 0.000 0.766 479 A CB -0.229 18.698 19.000 -0.121 0.000 1.003 479 A HN 2.308 nan 8.150 nan 0.000 0.497 480 T N -0.304 114.245 114.554 -0.007 0.000 2.788 480 T HA 0.494 4.844 4.350 0.000 0.000 0.280 480 T C 1.057 175.714 174.700 -0.072 0.000 0.984 480 T CA 0.004 62.076 62.100 -0.047 0.000 0.972 480 T CB 1.325 70.179 68.868 -0.023 0.000 1.039 480 T HN 0.992 nan 8.240 nan 0.000 0.530 481 G N -0.733 108.025 108.800 -0.071 0.000 3.141 481 G HA2 0.070 4.030 3.960 0.000 0.000 0.218 481 G HA3 0.070 4.030 3.960 0.000 0.000 0.218 481 G C 1.438 176.328 174.900 -0.017 0.000 1.170 481 G CA -0.476 44.592 45.100 -0.054 0.000 0.769 481 G HN 0.674 nan 8.290 nan 0.000 0.546 482 R N 0.578 121.070 120.500 -0.014 0.000 2.091 482 R HA -0.079 4.261 4.340 0.000 0.000 0.238 482 R C -0.409 175.889 176.300 -0.003 0.000 1.136 482 R CA 1.324 57.418 56.100 -0.010 0.000 0.959 482 R CB -0.832 29.457 30.300 -0.019 0.000 0.856 482 R HN 0.251 nan 8.270 nan 0.000 0.437 483 P HA -0.065 nan 4.420 nan 0.000 0.217 483 P C 1.598 178.903 177.300 0.008 0.000 1.150 483 P CA 1.003 64.104 63.100 0.003 0.000 0.832 483 P CB -0.059 31.652 31.700 0.018 0.000 0.787 484 V N 0.806 120.732 119.914 0.019 0.000 2.332 484 V HA -0.156 3.964 4.120 0.000 0.000 0.248 484 V C -0.444 175.659 176.094 0.014 0.000 1.055 484 V CA 2.534 64.848 62.300 0.024 0.000 1.038 484 V CB -2.493 29.352 31.823 0.036 0.000 0.651 484 V HN 0.196 nan 8.190 nan 0.000 0.450 485 P HA -0.104 nan 4.420 nan 0.000 0.215 485 P C 2.038 179.347 177.300 0.016 0.000 1.157 485 P CA 1.187 64.295 63.100 0.014 0.000 0.859 485 P CB 0.003 31.711 31.700 0.014 0.000 0.786 486 L N -0.935 120.296 121.223 0.013 0.000 1.994 486 L HA -0.178 4.162 4.340 0.000 0.000 0.208 486 L C 2.241 179.129 176.870 0.029 0.000 1.071 486 L CA 1.702 56.552 54.840 0.016 0.000 0.745 486 L CB -0.806 41.249 42.059 -0.008 0.000 0.892 486 L HN -0.118 nan 8.230 nan 0.000 0.431 487 L N -0.818 120.412 121.223 0.012 0.000 2.046 487 L HA -0.226 4.114 4.340 0.000 0.000 0.208 487 L C 2.510 179.414 176.870 0.057 0.000 1.077 487 L CA 1.852 56.710 54.840 0.029 0.000 0.747 487 L CB -0.980 41.081 42.059 0.003 0.000 0.896 487 L HN 0.311 nan 8.230 nan 0.000 0.432 488 T N -1.319 113.242 114.554 0.012 0.000 2.746 488 T HA -0.276 4.074 4.350 0.000 0.000 0.267 488 T C 1.815 176.492 174.700 -0.039 0.000 1.039 488 T CA 1.552 63.636 62.100 -0.027 0.000 1.142 488 T CB -0.195 68.652 68.868 -0.034 0.000 0.866 488 T HN 0.210 nan 8.240 nan 0.000 0.444 489 Q N 0.356 120.156 119.800 -0.001 0.000 2.096 489 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 489 Q C 1.925 177.925 176.000 0.000 0.000 0.982 489 Q CA 1.601 57.404 55.803 0.001 0.000 0.850 489 Q CB -0.699 28.063 28.738 0.040 0.000 0.901 489 Q HN 0.728 nan 8.270 nan 0.000 0.422 490 Y N -0.153 120.090 120.300 -0.094 0.000 2.224 490 Y HA -0.151 4.399 4.550 0.000 0.000 0.289 490 Y C 1.455 177.233 175.900 -0.205 0.000 1.146 490 Y CA 1.671 59.697 58.100 -0.123 0.000 1.182 490 Y CB -0.035 38.359 38.460 -0.109 0.000 0.983 490 Y HN 0.170 nan 8.280 nan 0.000 0.524 491 L N -0.709 120.345 121.223 -0.281 0.000 2.179 491 L HA -0.136 4.205 4.340 0.000 0.000 0.208 491 L C 2.340 178.992 176.870 -0.364 0.000 1.096 491 L CA 0.551 55.105 54.840 -0.476 0.000 0.779 491 L CB -0.437 41.454 42.059 -0.280 0.000 0.922 491 L HN 0.266 nan 8.230 nan 0.000 0.443 492 L N -0.279 120.792 121.223 -0.252 0.000 2.046 492 L HA -0.236 4.104 4.340 0.000 0.000 0.208 492 L C 2.202 178.950 176.870 -0.203 0.000 1.077 492 L CA 1.148 55.855 54.840 -0.221 0.000 0.747 492 L CB -0.543 41.380 42.059 -0.225 0.000 0.896 492 L HN 0.291 nan 8.230 nan 0.000 0.432 493 D N -0.386 119.882 120.400 -0.221 0.000 2.117 493 D HA -0.130 4.510 4.640 0.000 0.000 0.198 493 D C 2.378 178.534 176.300 -0.240 0.000 0.982 493 D CA 0.912 54.799 54.000 -0.188 0.000 0.828 493 D CB -0.130 40.573 40.800 -0.161 0.000 0.967 493 D HN 0.179 nan 8.370 nan 0.000 0.464 494 R N 0.757 121.005 120.500 -0.420 0.000 2.092 494 R HA 0.077 4.417 4.340 0.000 0.000 0.231 494 R C 1.955 178.135 176.300 -0.200 0.000 1.119 494 R CA 0.831 56.707 56.100 -0.373 0.000 0.970 494 R CB -0.626 29.211 30.300 -0.772 0.000 0.864 494 R HN 0.097 nan 8.270 nan 0.000 0.440 495 A N 0.423 123.116 122.820 -0.212 0.000 2.235 495 A HA 0.214 4.535 4.320 0.000 0.000 0.208 495 A C 1.238 178.782 177.584 -0.066 0.000 1.172 495 A CA 0.727 52.704 52.037 -0.100 0.000 0.786 495 A CB -0.361 18.582 19.000 -0.095 0.000 0.804 495 A HN 0.422 nan 8.150 nan 0.000 0.479 496 G N -1.239 107.512 108.800 -0.083 0.000 2.305 496 G HA2 0.044 4.004 3.960 0.000 0.000 0.287 496 G HA3 0.044 4.004 3.960 0.000 0.000 0.287 496 G C 0.436 175.311 174.900 -0.041 0.000 1.036 496 G CA 0.676 45.743 45.100 -0.055 0.000 0.887 496 G HN 1.454 nan 8.290 nan 0.000 0.505 497 A N 0.000 122.789 122.820 -0.051 0.000 2.254 497 A HA 0.000 4.320 4.320 0.000 0.000 0.244 497 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 497 A CB 0.000 18.983 19.000 -0.029 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486