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 2vgj_1_A DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPEG 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 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.410 176.300 0.183 0.000 0.893 1 R CA 0.000 56.167 56.100 0.112 0.000 0.921 1 R CB 0.000 30.355 30.300 0.093 0.000 0.687 2 L N 1.103 122.415 121.223 0.149 0.000 2.375 2 L HA 0.082 4.420 4.340 -0.004 0.000 0.215 2 L C 1.840 178.744 176.870 0.056 0.000 1.108 2 L CA 1.669 56.585 54.840 0.127 0.000 0.830 2 L CB 0.334 42.463 42.059 0.118 0.000 0.959 2 L HN 0.146 nan 8.230 nan 0.000 0.457 3 T N -3.737 110.849 114.554 0.054 0.000 2.951 3 T HA -0.157 4.191 4.350 -0.004 0.000 0.268 3 T C 1.618 176.340 174.700 0.036 0.000 1.073 3 T CA 0.836 62.959 62.100 0.039 0.000 1.134 3 T CB -0.147 68.740 68.868 0.032 0.000 0.884 3 T HN 0.324 nan 8.240 nan 0.000 0.479 4 E N 0.701 120.926 120.200 0.043 0.000 2.051 4 E HA -0.121 4.227 4.350 -0.004 0.000 0.192 4 E C 2.095 178.705 176.600 0.016 0.000 0.991 4 E CA 1.058 57.480 56.400 0.037 0.000 0.799 4 E CB -0.225 29.507 29.700 0.053 0.000 0.748 4 E HN 0.391 nan 8.360 nan 0.000 0.449 5 L N 1.369 122.591 121.223 -0.003 0.000 2.021 5 L HA -0.258 4.080 4.340 -0.004 0.000 0.215 5 L C 2.422 179.248 176.870 -0.073 0.000 1.074 5 L CA 1.870 56.648 54.840 -0.102 0.000 0.760 5 L CB -0.230 41.629 42.059 -0.333 0.000 0.889 5 L HN 0.018 nan 8.230 nan 0.000 0.433 6 R N -0.614 119.895 120.500 0.015 0.000 2.062 6 R HA -0.148 4.190 4.340 -0.004 0.000 0.231 6 R C 2.207 178.576 176.300 0.115 0.000 1.136 6 R CA 1.733 57.924 56.100 0.151 0.000 0.948 6 R CB -0.522 29.868 30.300 0.150 0.000 0.845 6 R HN 0.489 nan 8.270 nan 0.000 0.430 7 E N 0.401 120.637 120.200 0.059 0.000 2.147 7 E HA -0.226 4.122 4.350 -0.004 0.000 0.199 7 E C 1.399 178.008 176.600 0.014 0.000 1.005 7 E CA 1.550 57.973 56.400 0.039 0.000 0.810 7 E CB -0.041 29.673 29.700 0.024 0.000 0.736 7 E HN 0.362 nan 8.360 nan 0.000 0.460 8 D N 0.175 120.566 120.400 -0.015 0.000 2.137 8 D HA -0.063 4.575 4.640 -0.004 0.000 0.202 8 D C 2.047 178.296 176.300 -0.085 0.000 0.970 8 D CA 0.641 54.614 54.000 -0.045 0.000 0.837 8 D CB -0.180 40.588 40.800 -0.053 0.000 0.981 8 D HN 0.206 nan 8.370 nan 0.000 0.475 9 I N 1.361 121.841 120.570 -0.151 0.000 2.226 9 I HA -0.241 3.927 4.170 -0.004 0.000 0.245 9 I C 1.826 177.870 176.117 -0.121 0.000 1.100 9 I CA 1.047 62.181 61.300 -0.276 0.000 1.374 9 I CB -0.178 37.377 38.000 -0.741 0.000 1.057 9 I HN -0.152 nan 8.210 nan 0.000 0.413 10 D N 1.162 121.579 120.400 0.028 0.000 2.133 10 D HA -0.194 4.444 4.640 -0.004 0.000 0.195 10 D C 2.216 178.533 176.300 0.029 0.000 0.997 10 D CA 1.736 55.789 54.000 0.089 0.000 0.840 10 D CB -0.164 40.701 40.800 0.109 0.000 0.947 10 D HN 0.387 nan 8.370 nan 0.000 0.452 11 A N 0.319 123.141 122.820 0.003 0.000 1.872 11 A HA -0.075 4.243 4.320 -0.004 0.000 0.214 11 A C 2.374 179.945 177.584 -0.022 0.000 1.187 11 A CA 0.682 52.715 52.037 -0.007 0.000 0.614 11 A CB -0.692 18.302 19.000 -0.011 0.000 0.826 11 A HN 0.180 nan 8.150 nan 0.000 0.442 12 I N -0.162 120.381 120.570 -0.044 0.000 2.248 12 I HA -0.266 3.902 4.170 -0.004 0.000 0.248 12 I C 1.921 178.009 176.117 -0.047 0.000 1.107 12 I CA 1.158 62.423 61.300 -0.058 0.000 1.373 12 I CB -0.159 37.786 38.000 -0.092 0.000 1.055 12 I HN 0.264 nan 8.210 nan 0.000 0.418 13 L N 0.029 121.231 121.223 -0.036 0.000 2.599 13 L HA -0.039 4.299 4.340 -0.004 0.000 0.230 13 L C 1.989 178.858 176.870 -0.002 0.000 1.141 13 L CA 0.361 55.192 54.840 -0.016 0.000 0.877 13 L CB -0.361 41.705 42.059 0.012 0.000 1.009 13 L HN 0.216 nan 8.230 nan 0.000 0.447 14 E N 0.056 120.254 120.200 -0.004 0.000 2.482 14 E HA -0.095 4.253 4.350 -0.004 0.000 0.196 14 E C 0.201 176.797 176.600 -0.006 0.000 1.047 14 E CA 0.093 56.492 56.400 -0.000 0.000 0.869 14 E CB -0.113 29.587 29.700 0.001 0.000 0.836 14 E HN 0.462 nan 8.360 nan 0.000 0.520 15 D N 1.542 121.933 120.400 -0.016 0.000 2.571 15 D HA -0.086 4.552 4.640 -0.004 0.000 0.231 15 D C -1.217 175.075 176.300 -0.013 0.000 1.133 15 D CA -0.764 53.224 54.000 -0.019 0.000 0.862 15 D CB 1.023 41.804 40.800 -0.032 0.000 1.179 15 D HN -0.069 nan 8.370 nan 0.000 0.474 16 P HA -0.126 nan 4.420 nan 0.000 0.225 16 P C 0.691 177.989 177.300 -0.003 0.000 1.148 16 P CA 0.660 63.758 63.100 -0.003 0.000 0.779 16 P CB 0.078 31.777 31.700 -0.002 0.000 0.780 17 A N -0.014 122.797 122.820 -0.015 0.000 2.125 17 A HA -0.050 4.268 4.320 -0.004 0.000 0.219 17 A C 2.012 179.583 177.584 -0.022 0.000 1.156 17 A CA 0.852 52.875 52.037 -0.023 0.000 0.671 17 A CB -1.179 17.791 19.000 -0.050 0.000 0.794 17 A HN 0.209 nan 8.150 nan 0.000 0.459 18 L N -0.143 121.072 121.223 -0.014 0.000 2.741 18 L HA 0.136 4.474 4.340 -0.004 0.000 0.237 18 L C 0.434 177.324 176.870 0.032 0.000 1.178 18 L CA -0.338 54.505 54.840 0.004 0.000 0.973 18 L CB -0.119 41.935 42.059 -0.009 0.000 1.255 18 L HN 0.378 nan 8.230 nan 0.000 0.498 19 E N 1.392 121.612 120.200 0.032 0.000 2.491 19 E HA 0.121 4.469 4.350 -0.004 0.000 0.250 19 E C 1.209 177.836 176.600 0.045 0.000 1.061 19 E CA 0.963 57.383 56.400 0.033 0.000 0.942 19 E CB 0.032 29.748 29.700 0.027 0.000 0.957 19 E HN 0.359 nan 8.360 nan 0.000 0.480 20 G N 2.826 111.649 108.800 0.038 0.000 2.147 20 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.244 20 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.244 20 G C 0.114 175.043 174.900 0.048 0.000 1.005 20 G CA 0.044 45.166 45.100 0.037 0.000 0.713 20 G HN 0.922 nan 8.290 nan 0.000 0.515 21 A N -0.303 122.554 122.820 0.063 0.000 2.304 21 A HA 0.795 5.113 4.320 -0.004 0.000 0.323 21 A C 0.310 177.931 177.584 0.062 0.000 1.195 21 A CA -0.292 51.796 52.037 0.085 0.000 0.826 21 A CB 1.642 20.715 19.000 0.122 0.000 1.184 21 A HN 1.135 nan 8.150 nan 0.000 0.496 22 V N 2.394 122.342 119.914 0.058 0.000 2.530 22 V HA 0.396 4.514 4.120 -0.004 0.000 0.282 22 V C 0.490 176.620 176.094 0.059 0.000 1.048 22 V CA 0.109 62.438 62.300 0.049 0.000 0.997 22 V CB 1.051 32.897 31.823 0.038 0.000 0.987 22 V HN 0.843 nan 8.190 nan 0.000 0.477 23 S N 2.807 118.541 115.700 0.055 0.000 2.532 23 S HA 0.694 5.161 4.470 -0.004 0.000 0.299 23 S C 0.235 174.875 174.600 0.066 0.000 1.105 23 S CA -0.508 57.727 58.200 0.059 0.000 1.018 23 S CB 1.791 65.022 63.200 0.051 0.000 1.021 23 S HN 1.050 nan 8.310 nan 0.000 0.483 24 G N 1.591 110.432 108.800 0.068 0.000 2.384 24 G HA2 0.584 4.542 3.960 -0.004 0.000 0.316 24 G HA3 0.584 4.542 3.960 -0.004 0.000 0.316 24 G C -1.086 173.874 174.900 0.099 0.000 1.160 24 G CA -0.446 44.700 45.100 0.077 0.000 0.936 24 G HN 0.592 nan 8.290 nan 0.000 0.455 25 V N 3.031 123.028 119.914 0.138 0.000 2.482 25 V HA 0.507 4.624 4.120 -0.004 0.000 0.295 25 V C -0.517 175.730 176.094 0.256 0.000 1.026 25 V CA -0.677 61.737 62.300 0.189 0.000 0.856 25 V CB 1.633 33.575 31.823 0.200 0.000 1.001 25 V HN 0.572 nan 8.190 nan 0.000 0.424 26 V N 5.218 125.256 119.914 0.207 0.000 2.638 26 V HA 0.688 4.806 4.120 -0.004 0.000 0.306 26 V C -0.609 175.601 176.094 0.193 0.000 1.052 26 V CA -0.632 61.781 62.300 0.188 0.000 0.885 26 V CB 2.299 34.190 31.823 0.112 0.000 0.999 26 V HN 0.587 nan 8.190 nan 0.000 0.424 27 V N 4.558 124.588 119.914 0.193 0.000 2.709 27 V HA 0.748 4.865 4.120 -0.004 0.000 0.308 27 V C -0.723 175.450 176.094 0.131 0.000 1.062 27 V CA -0.616 61.783 62.300 0.167 0.000 0.901 27 V CB 2.173 34.070 31.823 0.123 0.000 1.003 27 V HN 0.604 nan 8.190 nan 0.000 0.425 28 V N 2.463 122.455 119.914 0.131 0.000 2.851 28 V HA 0.402 4.519 4.120 -0.004 0.000 0.307 28 V C -1.079 175.093 176.094 0.130 0.000 1.129 28 V CA -0.590 61.778 62.300 0.112 0.000 0.932 28 V CB 2.368 34.247 31.823 0.093 0.000 1.024 28 V HN 0.961 nan 8.190 nan 0.000 0.426 29 D N 2.638 123.111 120.400 0.122 0.000 2.336 29 D HA 0.120 4.758 4.640 -0.004 0.000 0.249 29 D C 1.114 177.480 176.300 0.110 0.000 1.213 29 D CA 0.316 54.393 54.000 0.129 0.000 0.870 29 D CB 1.925 42.800 40.800 0.124 0.000 1.076 29 D HN 0.595 nan 8.370 nan 0.000 0.483 30 T N 2.656 117.285 114.554 0.124 0.000 2.881 30 T HA -0.101 4.246 4.350 -0.004 0.000 0.270 30 T C 1.582 176.326 174.700 0.072 0.000 1.068 30 T CA 1.504 63.669 62.100 0.108 0.000 1.131 30 T CB 0.177 69.130 68.868 0.142 0.000 0.871 30 T HN 0.566 nan 8.240 nan 0.000 0.479 31 A N 0.812 123.672 122.820 0.067 0.000 1.840 31 A HA -0.045 4.273 4.320 -0.004 0.000 0.214 31 A C 2.604 180.212 177.584 0.041 0.000 1.198 31 A CA 2.159 54.224 52.037 0.046 0.000 0.608 31 A CB -1.224 17.801 19.000 0.042 0.000 0.839 31 A HN 0.564 nan 8.150 nan 0.000 0.443 32 T N -4.071 110.512 114.554 0.049 0.000 2.978 32 T HA 0.353 4.701 4.350 -0.004 0.000 0.262 32 T C 1.450 176.175 174.700 0.042 0.000 1.063 32 T CA 1.625 63.750 62.100 0.042 0.000 1.140 32 T CB -0.024 68.872 68.868 0.047 0.000 0.886 32 T HN 1.828 nan 8.240 nan 0.000 0.470 33 G N 0.683 109.514 108.800 0.051 0.000 2.176 33 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.232 33 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.232 33 G C -0.166 174.765 174.900 0.052 0.000 0.986 33 G CA 0.171 45.300 45.100 0.049 0.000 0.643 33 G HN 0.740 nan 8.290 nan 0.000 0.522 34 E N 0.933 121.168 120.200 0.058 0.000 2.415 34 E HA 0.248 4.596 4.350 -0.004 0.000 0.263 34 E C 0.143 176.781 176.600 0.065 0.000 0.995 34 E CA -0.058 56.378 56.400 0.059 0.000 0.915 34 E CB 0.336 30.078 29.700 0.069 0.000 0.951 34 E HN 0.448 nan 8.360 nan 0.000 0.449 35 E N 5.120 125.350 120.200 0.051 0.000 2.001 35 E HA 0.063 4.411 4.350 -0.004 0.000 0.279 35 E C 0.668 177.298 176.600 0.050 0.000 1.045 35 E CA -0.219 56.212 56.400 0.051 0.000 0.833 35 E CB 0.391 30.110 29.700 0.031 0.000 1.077 35 E HN 0.605 nan 8.360 nan 0.000 0.397 36 L N 4.301 125.565 121.223 0.068 0.000 2.109 36 L HA 0.052 4.389 4.340 -0.004 0.000 0.207 36 L C 0.375 177.302 176.870 0.096 0.000 1.086 36 L CA 0.660 55.531 54.840 0.051 0.000 0.760 36 L CB -0.044 42.019 42.059 0.005 0.000 0.910 36 L HN 0.562 nan 8.230 nan 0.000 0.437 37 Y N -1.058 119.223 120.300 -0.032 0.000 2.552 37 Y HA 0.480 5.027 4.550 -0.004 0.000 0.337 37 Y C -1.004 174.893 175.900 -0.004 0.000 1.094 37 Y CA -1.075 57.007 58.100 -0.031 0.000 1.028 37 Y CB 1.996 40.424 38.460 -0.054 0.000 1.321 37 Y HN -0.235 nan 8.280 nan 0.000 0.456 38 S N 5.425 120.888 115.700 -0.395 0.000 2.616 38 S HA 0.564 5.032 4.470 -0.004 0.000 0.276 38 S C -2.071 172.348 174.600 -0.301 0.000 1.159 38 S CA -0.718 57.372 58.200 -0.183 0.000 1.000 38 S CB 0.746 63.893 63.200 -0.089 0.000 1.117 38 S HN 0.892 nan 8.310 nan 0.000 0.464 39 R N 3.535 123.979 120.500 -0.095 0.000 2.514 39 R HA 0.417 4.755 4.340 -0.004 0.000 0.296 39 R C -1.059 175.256 176.300 0.025 0.000 1.012 39 R CA -0.274 55.800 56.100 -0.043 0.000 0.897 39 R CB 0.611 30.939 30.300 0.046 0.000 1.184 39 R HN 0.661 nan 8.270 nan 0.000 0.440 40 D N 3.221 123.624 120.400 0.005 0.000 2.708 40 D HA -0.162 4.475 4.640 -0.004 0.000 0.236 40 D C 0.860 177.177 176.300 0.028 0.000 1.146 40 D CA 1.420 55.431 54.000 0.018 0.000 0.662 40 D CB -0.884 39.933 40.800 0.029 0.000 1.059 40 D HN 0.924 nan 8.370 nan 0.000 0.428 41 G N -0.037 108.777 108.800 0.022 0.000 2.509 41 G HA2 0.046 4.004 3.960 -0.004 0.000 0.218 41 G HA3 0.046 4.004 3.960 -0.004 0.000 0.218 41 G C 1.384 176.303 174.900 0.032 0.000 1.124 41 G CA 0.795 45.915 45.100 0.034 0.000 0.776 41 G HN 0.490 nan 8.290 nan 0.000 0.547 42 G N -0.624 108.189 108.800 0.022 0.000 3.377 42 G HA2 0.252 4.210 3.960 -0.004 0.000 0.257 42 G HA3 0.252 4.210 3.960 -0.004 0.000 0.257 42 G C 0.237 175.148 174.900 0.017 0.000 1.038 42 G CA -0.300 44.811 45.100 0.019 0.000 0.809 42 G HN 0.178 nan 8.290 nan 0.000 0.526 43 E N 0.996 121.208 120.200 0.021 0.000 2.360 43 E HA 0.130 4.478 4.350 -0.004 0.000 0.269 43 E C -0.074 176.537 176.600 0.019 0.000 1.022 43 E CA 0.177 56.589 56.400 0.019 0.000 0.887 43 E CB 1.024 30.738 29.700 0.023 0.000 0.990 43 E HN 0.318 nan 8.360 nan 0.000 0.426 44 Q N 2.613 122.421 119.800 0.012 0.000 2.314 44 Q HA 0.368 4.706 4.340 -0.004 0.000 0.257 44 Q C -0.525 175.481 176.000 0.011 0.000 0.975 44 Q CA -0.122 55.686 55.803 0.007 0.000 0.933 44 Q CB 0.655 29.392 28.738 -0.001 0.000 1.195 44 Q HN 0.285 nan 8.270 nan 0.000 0.426 45 L N 2.181 123.413 121.223 0.015 0.000 2.350 45 L HA 0.511 4.848 4.340 -0.004 0.000 0.260 45 L C -0.588 176.290 176.870 0.014 0.000 1.015 45 L CA -1.034 53.818 54.840 0.019 0.000 0.821 45 L CB 1.538 43.616 42.059 0.032 0.000 1.370 45 L HN 0.394 nan 8.230 nan 0.000 0.416 46 L N 3.010 124.239 121.223 0.010 0.000 2.410 46 L HA 0.177 4.514 4.340 -0.004 0.000 0.273 46 L C -1.357 175.520 176.870 0.013 0.000 1.144 46 L CA -1.212 53.630 54.840 0.003 0.000 0.863 46 L CB 0.557 42.608 42.059 -0.014 0.000 1.140 46 L HN 0.445 nan 8.230 nan 0.000 0.463 47 P HA -0.069 nan 4.420 nan 0.000 0.227 47 P C 0.885 178.194 177.300 0.016 0.000 1.161 47 P CA 0.988 64.113 63.100 0.041 0.000 0.788 47 P CB 0.534 32.279 31.700 0.075 0.000 0.822 48 A N 0.936 123.747 122.820 -0.015 0.000 5.649 48 A HA -0.286 4.031 4.320 -0.004 0.000 0.334 48 A C 1.851 179.422 177.584 -0.021 0.000 1.768 48 A CA 2.083 54.091 52.037 -0.048 0.000 0.782 48 A CB -2.339 16.614 19.000 -0.077 0.000 1.376 48 A HN 0.244 nan 8.150 nan 0.000 0.413 49 S N 0.566 116.238 115.700 -0.047 0.000 2.584 49 S HA -0.110 4.357 4.470 -0.004 0.000 0.240 49 S C 1.351 175.939 174.600 -0.019 0.000 0.975 49 S CA 1.277 59.458 58.200 -0.032 0.000 0.949 49 S CB -0.694 62.464 63.200 -0.070 0.000 0.761 49 S HN 0.632 nan 8.310 nan 0.000 0.536 50 N N 1.341 120.039 118.700 -0.003 0.000 2.443 50 N HA -0.002 4.736 4.740 -0.004 0.000 0.184 50 N C 1.413 176.990 175.510 0.111 0.000 1.037 50 N CA 0.482 53.537 53.050 0.010 0.000 0.896 50 N CB -0.305 38.189 38.487 0.012 0.000 0.959 50 N HN 0.292 nan 8.380 nan 0.000 0.442 51 M N 0.746 120.452 119.600 0.177 0.000 2.279 51 M HA -0.044 4.434 4.480 -0.004 0.000 0.264 51 M C 1.356 177.835 176.300 0.298 0.000 1.062 51 M CA 1.456 56.944 55.300 0.312 0.000 1.099 51 M CB 0.023 32.739 32.600 0.194 0.000 1.394 51 M HN -0.094 nan 8.290 nan 0.000 0.426 52 K N -0.355 120.144 120.400 0.165 0.000 2.209 52 K HA -0.115 4.203 4.320 -0.004 0.000 0.204 52 K C 1.787 178.452 176.600 0.109 0.000 1.048 52 K CA 1.180 57.554 56.287 0.145 0.000 0.940 52 K CB -0.393 32.089 32.500 -0.030 0.000 0.729 52 K HN 0.395 nan 8.250 nan 0.000 0.451 53 L N -0.296 120.939 121.223 0.020 0.000 2.013 53 L HA -0.240 4.098 4.340 -0.004 0.000 0.212 53 L C 2.096 179.028 176.870 0.103 0.000 1.073 53 L CA 1.586 56.424 54.840 -0.003 0.000 0.753 53 L CB -0.449 41.477 42.059 -0.222 0.000 0.890 53 L HN 0.152 nan 8.230 nan 0.000 0.432 54 F N -0.596 119.478 119.950 0.206 0.000 2.128 54 F HA -0.165 4.360 4.527 -0.002 0.000 0.295 54 F C 2.678 178.580 175.800 0.170 0.000 1.100 54 F CA 1.489 59.590 58.000 0.168 0.000 1.260 54 F CB -0.981 38.086 39.000 0.112 0.000 1.009 54 F HN -0.040 nan 8.300 nan 0.000 0.476 55 T N 0.185 114.956 114.554 0.363 0.000 2.652 55 T HA -0.262 4.086 4.350 -0.004 0.000 0.267 55 T C 2.295 177.159 174.700 0.272 0.000 1.039 55 T CA 1.514 63.790 62.100 0.295 0.000 1.153 55 T CB -0.803 68.266 68.868 0.335 0.000 0.863 55 T HN 0.302 nan 8.240 nan 0.000 0.428 56 A N 1.488 124.515 122.820 0.344 0.000 1.908 56 A HA 0.058 4.376 4.320 -0.004 0.000 0.218 56 A C 2.646 180.339 177.584 0.183 0.000 1.181 56 A CA 2.051 54.295 52.037 0.345 0.000 0.627 56 A CB -1.144 18.067 19.000 0.352 0.000 0.818 56 A HN 0.539 nan 8.150 nan 0.000 0.445 57 A N -0.455 122.477 122.820 0.186 0.000 1.930 57 A HA 0.220 4.537 4.320 -0.004 0.000 0.217 57 A C 2.458 179.961 177.584 -0.136 0.000 1.175 57 A CA 1.934 53.881 52.037 -0.149 0.000 0.627 57 A CB -0.847 18.056 19.000 -0.161 0.000 0.815 57 A HN 1.033 nan 8.150 nan 0.000 0.443 58 A N -0.260 122.574 122.820 0.023 0.000 1.929 58 A HA 0.283 4.601 4.320 -0.004 0.000 0.216 58 A C 2.447 180.021 177.584 -0.018 0.000 1.176 58 A CA 1.652 53.710 52.037 0.035 0.000 0.628 58 A CB -0.860 18.193 19.000 0.089 0.000 0.816 58 A HN 0.969 nan 8.150 nan 0.000 0.444 59 A N -0.139 122.670 122.820 -0.019 0.000 1.933 59 A HA -0.026 4.292 4.320 -0.004 0.000 0.218 59 A C 2.135 179.636 177.584 -0.139 0.000 1.175 59 A CA 1.461 53.472 52.037 -0.044 0.000 0.628 59 A CB -0.534 18.475 19.000 0.014 0.000 0.814 59 A HN 0.470 nan 8.150 nan 0.000 0.444 60 L N -0.952 120.087 121.223 -0.308 0.000 2.072 60 L HA -0.125 4.212 4.340 -0.004 0.000 0.205 60 L C 2.704 179.371 176.870 -0.340 0.000 1.079 60 L CA 1.076 55.579 54.840 -0.562 0.000 0.752 60 L CB -0.512 40.718 42.059 -1.381 0.000 0.906 60 L HN 0.319 nan 8.230 nan 0.000 0.436 61 E N 0.049 120.164 120.200 -0.141 0.000 2.023 61 E HA -0.186 4.162 4.350 -0.004 0.000 0.196 61 E C 2.318 178.952 176.600 0.057 0.000 1.003 61 E CA 1.371 57.851 56.400 0.134 0.000 0.809 61 E CB -0.306 29.505 29.700 0.183 0.000 0.755 61 E HN 0.251 nan 8.360 nan 0.000 0.449 62 V N 1.056 120.972 119.914 0.003 0.000 2.283 62 V HA -0.195 3.923 4.120 -0.004 0.000 0.243 62 V C 2.478 178.542 176.094 -0.050 0.000 1.039 62 V CA 1.370 63.663 62.300 -0.012 0.000 1.016 62 V CB -0.349 31.462 31.823 -0.020 0.000 0.650 62 V HN 0.162 nan 8.190 nan 0.000 0.449 63 L N -0.627 120.531 121.223 -0.109 0.000 2.202 63 L HA 0.436 4.774 4.340 -0.004 0.000 0.205 63 L C 1.129 177.946 176.870 -0.088 0.000 1.083 63 L CA 0.846 55.549 54.840 -0.229 0.000 0.790 63 L CB -0.500 41.319 42.059 -0.400 0.000 0.942 63 L HN 0.544 nan 8.230 nan 0.000 0.452 64 G N -0.926 107.847 108.800 -0.045 0.000 2.692 64 G HA2 -0.064 3.894 3.960 -0.004 0.000 0.686 64 G HA3 -0.064 3.894 3.960 -0.004 0.000 0.686 64 G C 0.358 175.268 174.900 0.017 0.000 1.243 64 G CA -0.368 44.742 45.100 0.017 0.000 0.782 64 G HN 0.183 nan 8.290 nan 0.000 0.625 65 A N -0.032 122.813 122.820 0.043 0.000 2.119 65 A HA 0.210 4.527 4.320 -0.004 0.000 0.217 65 A C 1.882 179.498 177.584 0.053 0.000 1.153 65 A CA 2.145 54.215 52.037 0.054 0.000 0.692 65 A CB -0.416 18.648 19.000 0.107 0.000 0.799 65 A HN 1.209 nan 8.150 nan 0.000 0.458 66 D N -1.914 118.515 120.400 0.048 0.000 2.347 66 D HA -0.003 4.635 4.640 -0.004 0.000 0.213 66 D C 0.825 177.108 176.300 -0.029 0.000 0.985 66 D CA 0.241 54.251 54.000 0.016 0.000 0.879 66 D CB -0.482 40.330 40.800 0.021 0.000 0.919 66 D HN 0.589 nan 8.370 nan 0.000 0.526 67 H N 0.600 119.589 119.070 -0.134 0.000 2.886 67 H HA 0.272 4.826 4.556 -0.004 0.000 0.329 67 H C 0.263 175.350 175.328 -0.402 0.000 1.044 67 H CA -0.064 55.823 56.048 -0.267 0.000 1.456 67 H CB 0.569 30.157 29.762 -0.290 0.000 1.464 67 H HN 0.136 nan 8.280 nan 0.000 0.573 68 S N 3.530 118.760 115.700 -0.783 0.000 2.798 68 S HA 0.678 5.146 4.470 -0.004 0.000 0.312 68 S C -1.103 172.875 174.600 -1.037 0.000 1.122 68 S CA -0.855 56.934 58.200 -0.684 0.000 0.949 68 S CB 1.430 64.435 63.200 -0.325 0.000 1.235 68 S HN 0.414 nan 8.310 nan 0.000 0.552 69 F N -0.752 119.071 119.950 -0.211 0.000 2.578 69 F HA 0.723 5.248 4.527 -0.004 0.000 0.311 69 F C 0.615 176.309 175.800 -0.177 0.000 1.094 69 F CA -0.575 57.319 58.000 -0.178 0.000 0.923 69 F CB 2.352 41.295 39.000 -0.096 0.000 1.230 69 F HN 0.975 nan 8.300 nan 0.000 0.450 70 G N 0.386 109.161 108.800 -0.041 0.000 2.453 70 G HA2 0.679 4.637 3.960 -0.004 0.000 0.323 70 G HA3 0.679 4.637 3.960 -0.004 0.000 0.323 70 G C -1.400 173.426 174.900 -0.123 0.000 1.198 70 G CA -0.678 44.360 45.100 -0.103 0.000 0.959 70 G HN 0.533 nan 8.290 nan 0.000 0.482 71 T N 0.509 115.018 114.554 -0.075 0.000 2.900 71 T HA 0.671 5.019 4.350 -0.004 0.000 0.295 71 T C -0.653 173.995 174.700 -0.087 0.000 1.044 71 T CA -0.671 61.365 62.100 -0.106 0.000 0.995 71 T CB 2.128 70.942 68.868 -0.091 0.000 1.072 71 T HN 0.811 nan 8.240 nan 0.000 0.473 72 E N -0.013 120.120 120.200 -0.112 0.000 2.445 72 E HA 0.727 5.075 4.350 -0.004 0.000 0.279 72 E C -1.804 174.755 176.600 -0.069 0.000 1.018 72 E CA -1.078 55.279 56.400 -0.071 0.000 0.816 72 E CB 1.494 31.161 29.700 -0.054 0.000 1.356 72 E HN 0.279 nan 8.360 nan 0.000 0.462 73 V N 0.071 119.983 119.914 -0.003 0.000 2.540 73 V HA 0.802 4.920 4.120 -0.004 0.000 0.302 73 V C -0.734 175.438 176.094 0.130 0.000 1.035 73 V CA -0.339 61.995 62.300 0.057 0.000 0.873 73 V CB 1.257 33.150 31.823 0.116 0.000 0.992 73 V HN 0.871 nan 8.190 nan 0.000 0.428 74 A N 3.448 126.402 122.820 0.223 0.000 2.486 74 A HA 1.011 5.329 4.320 -0.004 0.000 0.300 74 A C -0.530 177.332 177.584 0.462 0.000 1.048 74 A CA -0.104 52.111 52.037 0.297 0.000 0.696 74 A CB 1.929 21.102 19.000 0.289 0.000 1.278 74 A HN 1.458 nan 8.150 nan 0.000 0.405 75 A N 0.464 123.481 122.820 0.328 0.000 2.435 75 A HA 0.733 5.051 4.320 -0.004 0.000 0.296 75 A C 0.631 178.049 177.584 -0.277 0.000 1.147 75 A CA 0.116 52.281 52.037 0.214 0.000 0.775 75 A CB 1.009 20.067 19.000 0.096 0.000 1.340 75 A HN 0.966 nan 8.150 nan 0.000 0.427 76 E N -0.144 119.521 120.200 -0.892 0.000 2.153 76 E HA -0.051 4.296 4.350 -0.004 0.000 0.194 76 E C 0.553 176.809 176.600 -0.573 0.000 0.988 76 E CA 1.385 56.975 56.400 -1.349 0.000 0.811 76 E CB 0.052 28.955 29.700 -1.328 0.000 0.746 76 E HN 0.762 nan 8.360 nan 0.000 0.466 77 S N -1.673 113.834 115.700 -0.323 0.000 2.588 77 S HA 0.673 5.141 4.470 -0.004 0.000 0.269 77 S C -0.448 174.091 174.600 -0.102 0.000 1.157 77 S CA -0.704 57.390 58.200 -0.176 0.000 0.824 77 S CB 1.265 64.374 63.200 -0.152 0.000 1.126 77 S HN 0.213 nan 8.310 nan 0.000 0.464 78 A N 1.717 124.500 122.820 -0.063 0.000 2.475 78 A HA 0.598 4.916 4.320 -0.004 0.000 0.239 78 A C -1.989 175.577 177.584 -0.030 0.000 1.087 78 A CA -0.595 51.423 52.037 -0.033 0.000 0.779 78 A CB -1.131 17.855 19.000 -0.023 0.000 1.036 78 A HN 0.764 nan 8.150 nan 0.000 0.506 79 P HA 0.448 nan 4.420 nan 0.000 0.276 79 P C 0.235 177.526 177.300 -0.015 0.000 1.252 79 P CA 0.152 63.243 63.100 -0.014 0.000 0.802 79 P CB 1.100 32.797 31.700 -0.005 0.000 1.035 80 G N 0.060 108.851 108.800 -0.015 0.000 2.990 80 G HA2 0.245 4.203 3.960 -0.004 0.000 0.208 80 G HA3 0.245 4.203 3.960 -0.004 0.000 0.208 80 G C 0.828 175.722 174.900 -0.011 0.000 1.334 80 G CA -0.538 44.554 45.100 -0.014 0.000 1.024 80 G HN 0.397 nan 8.290 nan 0.000 0.574 81 R N -0.624 119.869 120.500 -0.010 0.000 2.096 81 R HA -0.014 4.324 4.340 -0.004 0.000 0.235 81 R C 2.564 178.859 176.300 -0.008 0.000 1.127 81 R CA 0.829 56.924 56.100 -0.009 0.000 0.968 81 R CB -0.063 30.232 30.300 -0.008 0.000 0.861 81 R HN 0.277 nan 8.270 nan 0.000 0.440 82 R N -0.867 119.628 120.500 -0.008 0.000 2.235 82 R HA 0.001 4.339 4.340 -0.004 0.000 0.213 82 R C 1.038 177.333 176.300 -0.008 0.000 1.059 82 R CA 0.946 57.041 56.100 -0.008 0.000 0.997 82 R CB 0.094 30.390 30.300 -0.007 0.000 0.884 82 R HN 0.488 nan 8.270 nan 0.000 0.462 83 G N 1.980 110.775 108.800 -0.008 0.000 2.149 83 G HA2 -0.239 3.719 3.960 -0.004 0.000 0.235 83 G HA3 -0.239 3.719 3.960 -0.004 0.000 0.235 83 G C -0.338 174.558 174.900 -0.007 0.000 1.018 83 G CA 0.076 45.171 45.100 -0.008 0.000 0.728 83 G HN 0.386 nan 8.290 nan 0.000 0.508 84 E N -0.616 119.580 120.200 -0.007 0.000 2.207 84 E HA 0.711 5.058 4.350 -0.004 0.000 0.270 84 E C 0.345 176.942 176.600 -0.004 0.000 0.927 84 E CA -0.558 55.839 56.400 -0.005 0.000 0.799 84 E CB 2.811 32.508 29.700 -0.004 0.000 1.172 84 E HN 0.807 nan 8.360 nan 0.000 0.404 85 V N -1.400 118.517 119.914 0.004 0.000 3.156 85 V HA 0.403 4.521 4.120 -0.004 0.000 0.311 85 V C -0.060 176.048 176.094 0.024 0.000 1.208 85 V CA -0.813 61.492 62.300 0.009 0.000 1.063 85 V CB 1.997 33.834 31.823 0.024 0.000 1.098 85 V HN 0.533 nan 8.190 nan 0.000 0.452 86 Q N 0.144 119.969 119.800 0.042 0.000 3.072 86 Q HA 0.336 4.674 4.340 -0.004 0.000 0.231 86 Q C -0.373 175.690 176.000 0.104 0.000 1.167 86 Q CA 0.021 55.868 55.803 0.073 0.000 0.318 86 Q CB -0.183 28.611 28.738 0.094 0.000 5.789 86 Q HN 0.927 nan 8.270 nan 0.000 0.322 87 D N 0.888 121.399 120.400 0.185 0.000 2.419 87 D HA 0.137 4.775 4.640 -0.004 0.000 0.236 87 D C -0.186 176.242 176.300 0.213 0.000 1.165 87 D CA 0.427 54.543 54.000 0.194 0.000 0.882 87 D CB 0.462 41.481 40.800 0.366 0.000 1.201 87 D HN 0.130 nan 8.370 nan 0.000 0.443 88 L N 1.158 122.421 121.223 0.067 0.000 2.370 88 L HA 0.391 4.729 4.340 -0.004 0.000 0.266 88 L C -1.381 175.450 176.870 -0.064 0.000 1.002 88 L CA -0.895 54.017 54.840 0.121 0.000 0.818 88 L CB 1.504 43.636 42.059 0.122 0.000 1.325 88 L HN 0.383 nan 8.230 nan 0.000 0.418 89 Y N 3.165 123.597 120.300 0.219 0.000 2.326 89 Y HA 0.317 4.865 4.550 -0.004 0.000 0.331 89 Y C -0.200 175.711 175.900 0.018 0.000 0.962 89 Y CA -0.594 57.583 58.100 0.127 0.000 1.167 89 Y CB 2.018 40.519 38.460 0.067 0.000 1.148 89 Y HN 0.329 nan 8.280 nan 0.000 0.463 90 L N 5.399 126.647 121.223 0.041 0.000 2.281 90 L HA 0.577 4.915 4.340 -0.004 0.000 0.285 90 L C -1.050 175.780 176.870 -0.066 0.000 1.074 90 L CA -0.268 54.465 54.840 -0.178 0.000 0.817 90 L CB 0.482 42.280 42.059 -0.436 0.000 1.168 90 L HN 0.400 nan 8.230 nan 0.000 0.434 91 V N 5.524 125.381 119.914 -0.095 0.000 2.350 91 V HA 0.665 4.783 4.120 -0.004 0.000 0.285 91 V C 0.576 176.576 176.094 -0.158 0.000 1.014 91 V CA -0.365 61.880 62.300 -0.092 0.000 0.831 91 V CB 1.174 32.945 31.823 -0.087 0.000 1.000 91 V HN 0.912 nan 8.190 nan 0.000 0.433 92 G N 3.600 112.301 108.800 -0.166 0.000 2.356 92 G HA2 0.601 4.559 3.960 -0.004 0.000 0.322 92 G HA3 0.601 4.559 3.960 -0.004 0.000 0.322 92 G C -0.120 174.592 174.900 -0.314 0.000 1.125 92 G CA -0.661 44.309 45.100 -0.217 0.000 0.885 92 G HN 0.645 nan 8.290 nan 0.000 0.467 93 R N 1.460 121.712 120.500 -0.412 0.000 2.989 93 R HA 0.355 4.692 4.340 -0.004 0.000 0.340 93 R C 1.039 177.101 176.300 -0.397 0.000 1.205 93 R CA 0.256 55.929 56.100 -0.711 0.000 1.235 93 R CB 0.784 30.432 30.300 -1.087 0.000 1.394 93 R HN 0.998 nan 8.270 nan 0.000 0.598 94 G N 0.809 109.370 108.800 -0.397 0.000 2.141 94 G HA2 -0.259 3.699 3.960 -0.004 0.000 0.242 94 G HA3 -0.259 3.699 3.960 -0.004 0.000 0.242 94 G C -0.235 174.386 174.900 -0.464 0.000 0.982 94 G CA -0.017 44.857 45.100 -0.377 0.000 0.662 94 G HN 0.469 nan 8.290 nan 0.000 0.527 95 D N 1.102 121.298 120.400 -0.340 0.000 2.382 95 D HA 0.335 4.972 4.640 -0.004 0.000 0.259 95 D C -0.359 175.727 176.300 -0.356 0.000 1.224 95 D CA -1.392 52.393 54.000 -0.358 0.000 0.894 95 D CB 1.190 41.931 40.800 -0.098 0.000 1.127 95 D HN 0.221 nan 8.370 nan 0.000 0.487 96 P HA 0.051 nan 4.420 nan 0.000 0.257 96 P C 0.253 177.373 177.300 -0.299 0.000 1.281 96 P CA 0.351 63.219 63.100 -0.385 0.000 0.826 96 P CB 0.132 31.419 31.700 -0.688 0.000 1.237 97 T N -3.798 110.555 114.554 -0.334 0.000 3.393 97 T HA 0.213 4.561 4.350 -0.004 0.000 0.298 97 T C 0.100 174.684 174.700 -0.192 0.000 1.004 97 T CA -0.398 61.417 62.100 -0.476 0.000 0.956 97 T CB -0.639 67.581 68.868 -1.080 0.000 1.182 97 T HN -0.064 nan 8.240 nan 0.000 0.497 98 L N 4.025 125.196 121.223 -0.087 0.000 2.407 98 L HA 0.386 4.724 4.340 -0.004 0.000 0.282 98 L C 0.626 177.498 176.870 0.004 0.000 1.110 98 L CA -0.145 54.644 54.840 -0.084 0.000 0.863 98 L CB 0.445 42.443 42.059 -0.102 0.000 1.207 98 L HN 0.619 nan 8.230 nan 0.000 0.454 99 S N 3.180 118.891 115.700 0.018 0.000 2.669 99 S HA 0.377 4.845 4.470 -0.004 0.000 0.270 99 S C 1.163 175.767 174.600 0.008 0.000 1.225 99 S CA -0.177 58.062 58.200 0.066 0.000 0.991 99 S CB 1.718 64.982 63.200 0.107 0.000 0.987 99 S HN 0.666 nan 8.310 nan 0.000 0.552 100 A N 0.178 123.011 122.820 0.021 0.000 2.019 100 A HA -0.054 4.264 4.320 -0.004 0.000 0.219 100 A C 2.033 179.620 177.584 0.006 0.000 1.164 100 A CA 1.764 53.809 52.037 0.014 0.000 0.644 100 A CB -1.019 17.989 19.000 0.014 0.000 0.805 100 A HN 0.880 nan 8.150 nan 0.000 0.449 101 E N 0.734 120.935 120.200 0.001 0.000 2.072 101 E HA -0.125 4.223 4.350 -0.004 0.000 0.190 101 E C 1.359 177.952 176.600 -0.012 0.000 0.982 101 E CA 1.319 57.720 56.400 0.002 0.000 0.803 101 E CB -0.250 29.456 29.700 0.011 0.000 0.755 101 E HN 0.555 nan 8.360 nan 0.000 0.453 102 D N 0.254 120.615 120.400 -0.065 0.000 2.104 102 D HA -0.179 4.459 4.640 -0.004 0.000 0.194 102 D C 2.090 178.341 176.300 -0.080 0.000 0.994 102 D CA 0.935 54.827 54.000 -0.180 0.000 0.830 102 D CB -0.312 40.190 40.800 -0.497 0.000 0.959 102 D HN 0.256 nan 8.370 nan 0.000 0.452 103 L N 0.505 121.715 121.223 -0.021 0.000 2.081 103 L HA -0.225 4.113 4.340 -0.004 0.000 0.212 103 L C 2.190 179.159 176.870 0.164 0.000 1.080 103 L CA 1.368 56.285 54.840 0.128 0.000 0.754 103 L CB -0.406 41.752 42.059 0.165 0.000 0.893 103 L HN -0.007 nan 8.230 nan 0.000 0.433 104 D N -0.264 120.174 120.400 0.063 0.000 2.149 104 D HA -0.117 4.521 4.640 -0.004 0.000 0.201 104 D C 2.167 178.490 176.300 0.038 0.000 0.972 104 D CA 1.059 55.075 54.000 0.028 0.000 0.835 104 D CB 0.169 40.970 40.800 0.001 0.000 0.966 104 D HN 0.238 nan 8.370 nan 0.000 0.476 105 A N -0.062 122.787 122.820 0.048 0.000 1.972 105 A HA -0.109 4.209 4.320 -0.004 0.000 0.219 105 A C 2.195 179.831 177.584 0.087 0.000 1.169 105 A CA 1.058 53.131 52.037 0.060 0.000 0.635 105 A CB -0.519 18.524 19.000 0.071 0.000 0.810 105 A HN 0.312 nan 8.150 nan 0.000 0.446 106 M N -1.086 118.593 119.600 0.131 0.000 2.447 106 M HA 0.001 4.479 4.480 -0.004 0.000 0.264 106 M C 2.370 178.803 176.300 0.222 0.000 1.095 106 M CA 0.937 56.351 55.300 0.189 0.000 1.125 106 M CB -0.171 32.561 32.600 0.220 0.000 1.389 106 M HN 0.485 nan 8.290 nan 0.000 0.459 107 A N 0.344 123.250 122.820 0.144 0.000 1.968 107 A HA 0.077 4.395 4.320 -0.004 0.000 0.217 107 A C 2.319 179.888 177.584 -0.026 0.000 1.169 107 A CA 1.520 53.528 52.037 -0.047 0.000 0.638 107 A CB -0.610 18.252 19.000 -0.231 0.000 0.812 107 A HN 0.446 nan 8.150 nan 0.000 0.446 108 A N 0.201 123.022 122.820 0.003 0.000 1.902 108 A HA -0.168 4.149 4.320 -0.004 0.000 0.217 108 A C 1.917 179.510 177.584 0.015 0.000 1.181 108 A CA 1.580 53.618 52.037 0.001 0.000 0.623 108 A CB -0.508 18.498 19.000 0.009 0.000 0.818 108 A HN 0.621 nan 8.150 nan 0.000 0.443 109 E N -0.241 119.983 120.200 0.039 0.000 2.038 109 E HA -0.153 4.195 4.350 -0.004 0.000 0.195 109 E C 2.001 178.627 176.600 0.044 0.000 1.000 109 E CA 1.415 57.842 56.400 0.045 0.000 0.803 109 E CB -0.480 29.257 29.700 0.062 0.000 0.750 109 E HN 0.348 nan 8.360 nan 0.000 0.448 110 V N 1.585 121.538 119.914 0.065 0.000 2.370 110 V HA -0.348 3.770 4.120 -0.004 0.000 0.252 110 V C 2.306 178.412 176.094 0.018 0.000 1.068 110 V CA 2.115 64.450 62.300 0.058 0.000 1.061 110 V CB -0.770 31.108 31.823 0.090 0.000 0.656 110 V HN 0.357 nan 8.190 nan 0.000 0.455 111 A N -0.383 122.436 122.820 -0.001 0.000 1.874 111 A HA 0.116 4.434 4.320 -0.004 0.000 0.214 111 A C 2.318 179.900 177.584 -0.003 0.000 1.189 111 A CA 1.344 53.374 52.037 -0.012 0.000 0.615 111 A CB -0.718 18.266 19.000 -0.027 0.000 0.830 111 A HN 0.598 nan 8.150 nan 0.000 0.443 112 A N 0.319 123.141 122.820 0.003 0.000 2.259 112 A HA 0.034 4.351 4.320 -0.004 0.000 0.212 112 A C 2.010 179.598 177.584 0.007 0.000 1.178 112 A CA 1.789 53.828 52.037 0.004 0.000 0.734 112 A CB -0.686 18.318 19.000 0.008 0.000 0.774 112 A HN 0.996 nan 8.150 nan 0.000 0.481 113 S N -3.061 112.645 115.700 0.010 0.000 2.554 113 S HA 0.451 4.918 4.470 -0.004 0.000 0.226 113 S C 1.161 175.765 174.600 0.006 0.000 0.980 113 S CA 0.887 59.094 58.200 0.011 0.000 0.939 113 S CB 0.096 63.308 63.200 0.020 0.000 0.832 113 S HN 1.756 nan 8.310 nan 0.000 0.486 114 G N 0.418 109.219 108.800 0.002 0.000 2.184 114 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.206 114 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.206 114 G C -0.036 174.862 174.900 -0.003 0.000 0.995 114 G CA -0.183 44.916 45.100 -0.001 0.000 0.651 114 G HN 0.654 nan 8.290 nan 0.000 0.511 115 V N 0.965 120.879 119.914 -0.000 0.000 2.775 115 V HA 0.718 4.836 4.120 -0.004 0.000 0.299 115 V C 1.325 177.411 176.094 -0.013 0.000 1.062 115 V CA 0.302 62.600 62.300 -0.003 0.000 1.063 115 V CB 1.664 33.490 31.823 0.005 0.000 0.994 115 V HN 0.291 nan 8.190 nan 0.000 0.483 116 R N 0.765 121.256 120.500 -0.016 0.000 2.636 116 R HA 0.173 4.510 4.340 -0.004 0.000 0.259 116 R C -0.460 175.826 176.300 -0.024 0.000 0.970 116 R CA 0.312 56.399 56.100 -0.022 0.000 1.107 116 R CB 1.181 31.471 30.300 -0.017 0.000 1.687 116 R HN 0.803 nan 8.270 nan 0.000 0.527 117 T N 0.526 115.069 114.554 -0.019 0.000 3.293 117 T HA 0.299 4.647 4.350 -0.004 0.000 0.320 117 T C -0.987 173.706 174.700 -0.012 0.000 0.995 117 T CA -0.364 61.725 62.100 -0.019 0.000 1.041 117 T CB 2.731 71.590 68.868 -0.014 0.000 1.058 117 T HN -0.225 nan 8.240 nan 0.000 0.453 118 V N 4.065 123.968 119.914 -0.017 0.000 2.389 118 V HA 0.281 4.399 4.120 -0.004 0.000 0.264 118 V C 1.431 177.519 176.094 -0.010 0.000 1.049 118 V CA -0.281 62.015 62.300 -0.007 0.000 0.932 118 V CB 0.901 32.716 31.823 -0.014 0.000 1.011 118 V HN 0.712 nan 8.190 nan 0.000 0.475 119 R N 3.912 124.413 120.500 0.002 0.000 2.161 119 R HA 0.184 4.522 4.340 -0.004 0.000 0.213 119 R C 1.285 177.588 176.300 0.005 0.000 1.055 119 R CA 1.068 57.169 56.100 0.002 0.000 0.996 119 R CB -0.028 30.277 30.300 0.008 0.000 0.901 119 R HN 0.801 nan 8.270 nan 0.000 0.456 120 G N -1.125 107.682 108.800 0.012 0.000 3.022 120 G HA2 0.154 4.111 3.960 -0.004 0.000 0.157 120 G HA3 0.154 4.111 3.960 -0.004 0.000 0.157 120 G C -0.860 174.011 174.900 -0.047 0.000 1.468 120 G CA -0.448 44.660 45.100 0.013 0.000 1.058 120 G HN 0.130 nan 8.290 nan 0.000 0.581 121 D N -0.303 120.034 120.400 -0.104 0.000 2.228 121 D HA 0.407 5.044 4.640 -0.004 0.000 0.247 121 D C -0.707 175.346 176.300 -0.412 0.000 0.995 121 D CA -0.355 53.461 54.000 -0.307 0.000 0.903 121 D CB 2.524 43.014 40.800 -0.516 0.000 1.205 121 D HN 0.122 nan 8.370 nan 0.000 0.459 122 L N 2.437 123.425 121.223 -0.391 0.000 2.276 122 L HA 0.287 4.624 4.340 -0.004 0.000 0.286 122 L C -1.445 175.130 176.870 -0.491 0.000 1.061 122 L CA -0.141 54.515 54.840 -0.307 0.000 0.807 122 L CB 0.016 42.021 42.059 -0.090 0.000 1.177 122 L HN 0.236 nan 8.230 nan 0.000 0.429 123 Y N 3.616 123.750 120.300 -0.278 0.000 2.429 123 Y HA 0.719 5.267 4.550 -0.004 0.000 0.342 123 Y C 0.288 176.139 175.900 -0.081 0.000 1.004 123 Y CA -0.906 57.058 58.100 -0.227 0.000 1.075 123 Y CB 1.889 40.092 38.460 -0.428 0.000 1.214 123 Y HN 0.711 nan 8.280 nan 0.000 0.455 124 A N 2.283 125.202 122.820 0.164 0.000 2.249 124 A HA 0.371 4.689 4.320 -0.004 0.000 0.314 124 A C -1.136 176.523 177.584 0.124 0.000 1.290 124 A CA -0.514 51.579 52.037 0.094 0.000 0.893 124 A CB 0.181 19.206 19.000 0.042 0.000 1.165 124 A HN 0.656 nan 8.150 nan 0.000 0.530 125 D N 2.640 123.102 120.400 0.103 0.000 2.392 125 D HA 0.300 4.938 4.640 -0.004 0.000 0.228 125 D C -0.587 175.714 176.300 0.001 0.000 1.074 125 D CA -0.371 53.668 54.000 0.066 0.000 0.838 125 D CB 1.220 42.053 40.800 0.054 0.000 1.067 125 D HN 0.499 nan 8.370 nan 0.000 0.511 126 D N 1.429 121.832 120.400 0.005 0.000 2.593 126 D HA -0.030 4.608 4.640 -0.004 0.000 0.241 126 D C 1.055 177.366 176.300 0.019 0.000 1.257 126 D CA -0.206 53.785 54.000 -0.015 0.000 0.828 126 D CB -0.232 40.562 40.800 -0.010 0.000 1.049 126 D HN 0.279 nan 8.370 nan 0.000 0.490 127 T N -4.353 110.223 114.554 0.035 0.000 3.160 127 T HA -0.090 4.258 4.350 -0.004 0.000 0.257 127 T C 1.286 176.055 174.700 0.114 0.000 1.147 127 T CA -0.299 61.832 62.100 0.051 0.000 1.064 127 T CB -0.795 68.079 68.868 0.010 0.000 0.949 127 T HN 0.401 nan 8.240 nan 0.000 0.526 128 W N 0.976 122.214 121.300 -0.102 0.000 2.425 128 W HA 0.135 4.794 4.660 -0.003 0.000 0.277 128 W C -0.791 175.778 176.519 0.084 0.000 1.231 128 W CA 0.087 57.379 57.345 -0.088 0.000 1.248 128 W CB 0.131 29.452 29.460 -0.231 0.000 1.117 128 W HN 0.139 nan 8.180 nan 0.000 0.568 129 F N 1.428 121.381 119.950 0.005 0.000 2.541 129 F HA 0.193 4.718 4.527 -0.003 0.000 0.331 129 F C 0.749 176.482 175.800 -0.112 0.000 1.057 129 F CA -2.223 55.697 58.000 -0.133 0.000 0.975 129 F CB -0.150 38.774 39.000 -0.128 0.000 1.246 129 F HN -0.224 nan 8.300 nan 0.000 0.484 130 D N -0.820 119.606 120.400 0.042 0.000 2.346 130 D HA 0.098 4.736 4.640 -0.004 0.000 0.249 130 D C 0.303 176.609 176.300 0.009 0.000 1.308 130 D CA -0.238 53.757 54.000 -0.009 0.000 0.987 130 D CB 0.230 40.992 40.800 -0.063 0.000 1.114 130 D HN 0.323 nan 8.370 nan 0.000 0.529 131 S N -2.414 113.291 115.700 0.009 0.000 2.562 131 S HA 0.115 4.582 4.470 -0.004 0.000 0.246 131 S C 0.250 174.872 174.600 0.035 0.000 1.056 131 S CA -0.768 57.449 58.200 0.028 0.000 1.042 131 S CB -0.463 62.759 63.200 0.036 0.000 0.822 131 S HN 0.533 nan 8.310 nan 0.000 0.465 132 E N 1.927 122.140 120.200 0.021 0.000 2.003 132 E HA 0.195 4.543 4.350 -0.004 0.000 0.279 132 E C 0.552 177.233 176.600 0.134 0.000 1.132 132 E CA -0.439 56.017 56.400 0.093 0.000 0.888 132 E CB 0.338 30.129 29.700 0.151 0.000 1.056 132 E HN 0.220 nan 8.360 nan 0.000 0.399 133 R N 2.598 123.189 120.500 0.152 0.000 2.093 133 R HA 0.142 4.480 4.340 -0.004 0.000 0.224 133 R C 0.509 176.972 176.300 0.271 0.000 1.101 133 R CA 0.705 56.914 56.100 0.182 0.000 0.979 133 R CB -0.141 30.248 30.300 0.148 0.000 0.877 133 R HN 0.416 nan 8.270 nan 0.000 0.441 134 L N -0.132 121.177 121.223 0.143 0.000 2.354 134 L HA 0.405 4.743 4.340 -0.004 0.000 0.264 134 L C -0.205 176.258 176.870 -0.678 0.000 1.008 134 L CA -1.094 53.617 54.840 -0.216 0.000 0.819 134 L CB 2.378 44.469 42.059 0.054 0.000 1.339 134 L HN -0.344 nan 8.230 nan 0.000 0.420 135 V N 0.798 119.679 119.914 -1.723 0.000 2.924 135 V HA -0.041 4.076 4.120 -0.004 0.000 0.305 135 V C 0.675 176.316 176.094 -0.754 0.000 1.073 135 V CA 0.062 61.437 62.300 -1.542 0.000 1.098 135 V CB 0.969 31.624 31.823 -1.946 0.000 1.000 135 V HN 0.994 nan 8.190 nan 0.000 0.484 136 D N 2.950 123.071 120.400 -0.466 0.000 2.126 136 D HA -0.260 4.378 4.640 -0.004 0.000 0.190 136 D C 1.103 177.348 176.300 -0.091 0.000 1.001 136 D CA 1.858 55.736 54.000 -0.203 0.000 0.841 136 D CB -0.391 40.324 40.800 -0.142 0.000 0.949 136 D HN 0.806 nan 8.370 nan 0.000 0.446 137 D N -1.709 118.651 120.400 -0.067 0.000 2.342 137 D HA -0.030 4.607 4.640 -0.004 0.000 0.221 137 D C -0.188 176.321 176.300 0.348 0.000 1.101 137 D CA -0.702 53.371 54.000 0.121 0.000 0.837 137 D CB -0.638 40.225 40.800 0.105 0.000 0.938 137 D HN 0.201 nan 8.370 nan 0.000 0.508 138 W N 0.839 122.184 121.300 0.075 0.000 2.148 138 W HA 0.218 4.875 4.660 -0.005 0.000 0.347 138 W C 0.392 177.108 176.519 0.328 0.000 1.288 138 W CA -1.090 56.331 57.345 0.126 0.000 1.252 138 W CB -0.065 29.429 29.460 0.056 0.000 1.156 138 W HN -0.043 nan 8.180 nan 0.000 0.580 139 W N 3.381 124.823 121.300 0.236 0.000 2.338 139 W HA 0.238 4.896 4.660 -0.003 0.000 0.307 139 W C -1.167 175.428 176.519 0.127 0.000 1.167 139 W CA -2.608 54.822 57.345 0.142 0.000 1.208 139 W CB -0.204 29.321 29.460 0.109 0.000 1.228 139 W HN 0.199 nan 8.180 nan 0.000 0.499 140 P HA -0.268 nan 4.420 nan 0.000 0.215 140 P C 1.584 178.965 177.300 0.136 0.000 1.157 140 P CA 2.400 65.597 63.100 0.161 0.000 0.874 140 P CB 0.277 32.028 31.700 0.085 0.000 0.790 141 E N -0.533 119.761 120.200 0.156 0.000 2.267 141 E HA -0.210 4.138 4.350 -0.004 0.000 0.197 141 E C 0.900 177.601 176.600 0.168 0.000 0.998 141 E CA 1.240 57.725 56.400 0.142 0.000 0.830 141 E CB -1.132 28.664 29.700 0.160 0.000 0.751 141 E HN 0.314 nan 8.360 nan 0.000 0.491 142 D N 1.317 121.856 120.400 0.230 0.000 2.347 142 D HA -0.029 4.608 4.640 -0.004 0.000 0.213 142 D C 1.358 177.613 176.300 -0.076 0.000 0.985 142 D CA 0.318 54.449 54.000 0.218 0.000 0.879 142 D CB -0.005 40.952 40.800 0.262 0.000 0.919 142 D HN 0.415 nan 8.370 nan 0.000 0.526 143 E N 0.274 120.422 120.200 -0.087 0.000 2.338 143 E HA -0.104 4.243 4.350 -0.004 0.000 0.197 143 E C -0.898 175.544 176.600 -0.262 0.000 1.007 143 E CA 0.446 56.775 56.400 -0.118 0.000 0.849 143 E CB -0.451 29.245 29.700 -0.006 0.000 0.774 143 E HN 0.333 nan 8.360 nan 0.000 0.506 144 P HA -0.095 nan 4.420 nan 0.000 0.229 144 P C -0.508 176.462 177.300 -0.551 0.000 1.160 144 P CA 0.974 63.721 63.100 -0.589 0.000 0.777 144 P CB 0.056 31.269 31.700 -0.812 0.000 0.814 145 Y N -1.715 118.428 120.300 -0.262 0.000 2.361 145 Y HA 0.491 5.038 4.550 -0.004 0.000 0.332 145 Y C 1.812 177.453 175.900 -0.432 0.000 1.101 145 Y CA -1.273 56.608 58.100 -0.366 0.000 1.137 145 Y CB 0.885 39.028 38.460 -0.528 0.000 1.207 145 Y HN -0.234 nan 8.280 nan 0.000 0.463 146 A N 2.439 125.214 122.820 -0.075 0.000 1.978 146 A HA -0.270 4.048 4.320 -0.004 0.000 0.220 146 A C 1.743 179.303 177.584 -0.041 0.000 1.170 146 A CA 2.043 54.056 52.037 -0.041 0.000 0.636 146 A CB -1.224 17.786 19.000 0.017 0.000 0.810 146 A HN 0.968 nan 8.150 nan 0.000 0.448 147 Y N -1.864 118.442 120.300 0.009 0.000 2.483 147 Y HA 0.129 4.676 4.550 -0.004 0.000 0.291 147 Y C 1.852 177.666 175.900 -0.144 0.000 1.143 147 Y CA 0.997 59.062 58.100 -0.059 0.000 1.289 147 Y CB -0.662 37.740 38.460 -0.096 0.000 0.983 147 Y HN 0.173 nan 8.280 nan 0.000 0.556 148 S N 0.477 115.913 115.700 -0.440 0.000 2.574 148 S HA 0.604 5.072 4.470 -0.004 0.000 0.242 148 S C 0.643 175.212 174.600 -0.052 0.000 0.982 148 S CA -0.248 57.744 58.200 -0.346 0.000 0.977 148 S CB -1.100 61.851 63.200 -0.416 0.000 0.814 148 S HN 0.618 nan 8.310 nan 0.000 0.464 149 A N 1.298 124.127 122.820 0.016 0.000 2.483 149 A HA 0.337 4.655 4.320 -0.004 0.000 0.238 149 A C 0.418 178.155 177.584 0.256 0.000 1.070 149 A CA -0.003 52.100 52.037 0.110 0.000 0.770 149 A CB 0.162 19.224 19.000 0.104 0.000 1.008 149 A HN 0.684 nan 8.150 nan 0.000 0.497 150 Q N 0.006 119.944 119.800 0.230 0.000 2.454 150 Q HA 0.278 4.615 4.340 -0.004 0.000 0.247 150 Q C -0.602 175.543 176.000 0.242 0.000 1.028 150 Q CA 0.012 55.972 55.803 0.261 0.000 0.910 150 Q CB 0.625 29.475 28.738 0.187 0.000 1.276 150 Q HN 0.557 nan 8.270 nan 0.000 0.489 151 I N 1.425 122.135 120.570 0.234 0.000 2.355 151 I HA 0.297 4.465 4.170 -0.004 0.000 0.288 151 I C -0.218 175.980 176.117 0.135 0.000 0.999 151 I CA 0.050 61.460 61.300 0.185 0.000 1.163 151 I CB 0.979 39.056 38.000 0.127 0.000 1.316 151 I HN 0.447 nan 8.210 nan 0.000 0.454 152 S N 3.611 119.409 115.700 0.163 0.000 2.564 152 S HA 0.710 5.178 4.470 -0.004 0.000 0.274 152 S C 0.767 175.430 174.600 0.105 0.000 1.124 152 S CA 0.011 58.296 58.200 0.142 0.000 0.869 152 S CB 1.966 65.212 63.200 0.077 0.000 1.105 152 S HN 0.668 nan 8.310 nan 0.000 0.472 153 A N 2.579 125.354 122.820 -0.074 0.000 2.015 153 A HA 0.267 4.585 4.320 -0.004 0.000 0.219 153 A C 0.707 178.137 177.584 -0.257 0.000 1.163 153 A CA 0.749 52.507 52.037 -0.466 0.000 0.646 153 A CB -0.273 18.389 19.000 -0.564 0.000 0.806 153 A HN 0.678 nan 8.150 nan 0.000 0.448 154 L N 0.571 121.718 121.223 -0.127 0.000 2.318 154 L HA 0.469 4.806 4.340 -0.004 0.000 0.277 154 L C -0.880 175.959 176.870 -0.052 0.000 1.008 154 L CA -0.064 54.715 54.840 -0.102 0.000 0.846 154 L CB 1.546 43.551 42.059 -0.090 0.000 1.220 154 L HN 0.177 nan 8.230 nan 0.000 0.423 155 T N 3.099 117.627 114.554 -0.043 0.000 2.933 155 T HA 0.473 4.820 4.350 -0.004 0.000 0.305 155 T C -1.052 173.653 174.700 0.009 0.000 1.092 155 T CA -0.299 61.803 62.100 0.004 0.000 1.008 155 T CB 1.826 70.722 68.868 0.047 0.000 1.102 155 T HN 0.146 nan 8.240 nan 0.000 0.469 156 V N 4.062 123.995 119.914 0.032 0.000 2.406 156 V HA 0.685 4.803 4.120 -0.004 0.000 0.272 156 V C 0.702 176.867 176.094 0.119 0.000 1.043 156 V CA -0.667 61.666 62.300 0.055 0.000 0.915 156 V CB 0.772 32.622 31.823 0.045 0.000 0.988 156 V HN 1.065 nan 8.190 nan 0.000 0.466 157 A N 4.016 126.930 122.820 0.157 0.000 2.289 157 A HA 0.571 4.889 4.320 -0.004 0.000 0.298 157 A C -0.372 177.374 177.584 0.271 0.000 1.208 157 A CA -0.382 51.812 52.037 0.262 0.000 0.845 157 A CB 0.036 19.258 19.000 0.370 0.000 1.125 157 A HN 1.027 nan 8.150 nan 0.000 0.517 158 H N 1.773 120.932 119.070 0.148 0.000 2.467 158 H HA 0.540 5.094 4.556 -0.004 0.000 0.331 158 H C 0.779 176.112 175.328 0.009 0.000 1.120 158 H CA 0.958 57.050 56.048 0.074 0.000 1.270 158 H CB 0.959 30.752 29.762 0.051 0.000 1.466 158 H HN 1.532 nan 8.280 nan 0.000 0.504 159 G N 3.227 111.677 108.800 -0.583 0.000 2.877 159 G HA2 -0.313 3.645 3.960 -0.004 0.000 0.279 159 G HA3 -0.313 3.645 3.960 -0.004 0.000 0.279 159 G C 0.831 175.497 174.900 -0.391 0.000 1.431 159 G CA 0.199 45.051 45.100 -0.413 0.000 0.883 159 G HN 0.919 nan 8.290 nan 0.000 0.547 160 E N -0.318 119.688 120.200 -0.324 0.000 2.268 160 E HA -0.076 4.272 4.350 -0.004 0.000 0.195 160 E C 2.056 178.423 176.600 -0.388 0.000 0.995 160 E CA 1.162 57.329 56.400 -0.388 0.000 0.836 160 E CB -0.043 29.616 29.700 -0.069 0.000 0.763 160 E HN 0.618 nan 8.360 nan 0.000 0.491 161 R N -0.312 120.056 120.500 -0.220 0.000 2.280 161 R HA 0.132 4.470 4.340 -0.004 0.000 0.195 161 R C -0.057 176.348 176.300 0.175 0.000 0.935 161 R CA 0.353 56.434 56.100 -0.032 0.000 1.033 161 R CB -0.176 29.950 30.300 -0.291 0.000 0.964 161 R HN 0.125 nan 8.270 nan 0.000 0.489 162 F N 1.492 121.568 119.950 0.209 0.000 3.056 162 F HA -0.186 4.339 4.527 -0.004 0.000 0.301 162 F C -0.742 175.186 175.800 0.213 0.000 0.907 162 F CA -0.007 58.143 58.000 0.249 0.000 1.113 162 F CB -1.738 37.492 39.000 0.383 0.000 1.123 162 F HN 0.046 nan 8.300 nan 0.000 0.661 163 D N 1.712 122.266 120.400 0.256 0.000 2.382 163 D HA 0.156 4.794 4.640 -0.004 0.000 0.259 163 D C 0.898 177.327 176.300 0.214 0.000 1.224 163 D CA 0.685 54.790 54.000 0.175 0.000 0.894 163 D CB 1.004 41.866 40.800 0.103 0.000 1.127 163 D HN 0.328 nan 8.370 nan 0.000 0.487 164 T N -1.553 113.123 114.554 0.202 0.000 2.913 164 T HA 0.474 4.821 4.350 -0.004 0.000 0.287 164 T C 1.224 176.009 174.700 0.141 0.000 1.008 164 T CA -0.261 61.953 62.100 0.191 0.000 1.067 164 T CB 1.629 70.622 68.868 0.209 0.000 0.996 164 T HN 0.540 nan 8.240 nan 0.000 0.513 165 G N 0.430 109.305 108.800 0.125 0.000 2.225 165 G HA2 -0.081 3.876 3.960 -0.004 0.000 0.267 165 G HA3 -0.081 3.876 3.960 -0.004 0.000 0.267 165 G C 0.080 175.034 174.900 0.090 0.000 1.024 165 G CA 0.359 45.523 45.100 0.108 0.000 0.784 165 G HN 1.892 nan 8.290 nan 0.000 0.507 166 V N -4.398 115.565 119.914 0.082 0.000 3.141 166 V HA 0.995 5.112 4.120 -0.004 0.000 0.312 166 V C -0.108 176.012 176.094 0.044 0.000 1.157 166 V CA -0.145 62.181 62.300 0.044 0.000 1.041 166 V CB 2.058 33.880 31.823 -0.003 0.000 1.071 166 V HN 0.791 nan 8.190 nan 0.000 0.441 167 T N 0.430 114.991 114.554 0.010 0.000 2.906 167 T HA 0.458 4.806 4.350 -0.004 0.000 0.295 167 T C -1.038 173.619 174.700 -0.071 0.000 1.061 167 T CA -0.361 61.747 62.100 0.013 0.000 1.000 167 T CB 1.766 70.674 68.868 0.066 0.000 1.103 167 T HN 1.111 nan 8.240 nan 0.000 0.486 168 E N 2.733 122.879 120.200 -0.090 0.000 2.167 168 E HA 0.511 4.859 4.350 -0.004 0.000 0.284 168 E C -0.929 175.660 176.600 -0.019 0.000 1.016 168 E CA -0.591 55.744 56.400 -0.108 0.000 0.817 168 E CB 0.728 30.361 29.700 -0.112 0.000 1.080 168 E HN 0.358 nan 8.360 nan 0.000 0.397 169 V N 3.776 123.679 119.914 -0.019 0.000 2.481 169 V HA 0.339 4.456 4.120 -0.004 0.000 0.286 169 V C -0.297 175.799 176.094 0.005 0.000 1.042 169 V CA -0.519 61.782 62.300 0.001 0.000 0.928 169 V CB 1.709 33.532 31.823 0.000 0.000 0.986 169 V HN 0.680 nan 8.190 nan 0.000 0.462 170 S N 3.112 118.820 115.700 0.012 0.000 2.521 170 S HA 0.745 5.213 4.470 -0.004 0.000 0.295 170 S C -0.753 173.854 174.600 0.012 0.000 1.098 170 S CA -0.676 57.532 58.200 0.013 0.000 0.999 170 S CB 1.979 65.190 63.200 0.018 0.000 1.034 170 S HN 0.434 nan 8.310 nan 0.000 0.483 171 V N 2.552 122.472 119.914 0.011 0.000 2.443 171 V HA 0.538 4.656 4.120 -0.004 0.000 0.293 171 V C -0.356 175.743 176.094 0.009 0.000 1.021 171 V CA -0.482 61.824 62.300 0.010 0.000 0.848 171 V CB 1.697 33.525 31.823 0.009 0.000 0.998 171 V HN 0.930 nan 8.190 nan 0.000 0.424 172 T N 7.457 122.016 114.554 0.009 0.000 2.807 172 T HA 0.515 4.863 4.350 -0.004 0.000 0.279 172 T C -2.695 172.009 174.700 0.007 0.000 0.993 172 T CA -1.270 60.835 62.100 0.008 0.000 0.970 172 T CB 2.124 70.997 68.868 0.009 0.000 0.950 172 T HN 0.436 nan 8.240 nan 0.000 0.441 173 P HA 0.432 nan 4.420 nan 0.000 0.275 173 P C -0.479 176.824 177.300 0.005 0.000 1.228 173 P CA -0.350 62.753 63.100 0.005 0.000 0.786 173 P CB 0.775 32.477 31.700 0.005 0.000 0.927 174 A N 2.565 125.388 122.820 0.004 0.000 3.516 174 A HA 0.738 5.056 4.320 -0.004 0.000 0.164 174 A C 0.219 177.805 177.584 0.003 0.000 1.887 174 A CA -0.051 51.989 52.037 0.004 0.000 0.978 174 A CB -0.557 18.445 19.000 0.004 0.000 1.863 174 A HN 0.569 nan 8.150 nan 0.000 0.697 175 A N -0.494 122.328 122.820 0.003 0.000 2.293 175 A HA 0.510 4.828 4.320 -0.004 0.000 0.302 175 A C 0.207 177.792 177.584 0.003 0.000 1.119 175 A CA -0.204 51.834 52.037 0.003 0.000 0.823 175 A CB -0.102 18.900 19.000 0.002 0.000 1.097 175 A HN 0.738 nan 8.150 nan 0.000 0.491 176 E N 0.428 120.629 120.200 0.002 0.000 2.820 176 E HA 0.180 4.528 4.350 -0.004 0.000 0.251 176 E C 1.247 177.848 176.600 0.002 0.000 0.944 176 E CA 1.296 57.697 56.400 0.002 0.000 0.955 176 E CB -0.241 29.460 29.700 0.002 0.000 0.904 176 E HN 1.545 nan 8.360 nan 0.000 0.513 177 G N 3.702 112.504 108.800 0.002 0.000 2.234 177 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.235 177 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.235 177 G C 0.085 174.986 174.900 0.002 0.000 0.997 177 G CA 0.264 45.365 45.100 0.002 0.000 0.623 177 G HN 0.599 nan 8.290 nan 0.000 0.514 178 E N 2.325 122.527 120.200 0.002 0.000 2.319 178 E HA 0.450 4.798 4.350 -0.004 0.000 0.268 178 E C -1.991 174.610 176.600 0.002 0.000 1.050 178 E CA -1.707 54.694 56.400 0.002 0.000 0.878 178 E CB 1.224 30.926 29.700 0.002 0.000 1.066 178 E HN 0.212 nan 8.360 nan 0.000 0.406 179 P HA -0.053 nan 4.420 nan 0.000 0.268 179 P C -0.949 176.353 177.300 0.003 0.000 1.208 179 P CA 0.000 63.102 63.100 0.002 0.000 0.777 179 P CB 0.572 32.273 31.700 0.002 0.000 0.875 180 A N 1.592 124.415 122.820 0.004 0.000 2.296 180 A HA 0.249 4.566 4.320 -0.004 0.000 0.264 180 A C -0.021 177.566 177.584 0.005 0.000 1.097 180 A CA -0.143 51.897 52.037 0.005 0.000 0.811 180 A CB -0.321 18.682 19.000 0.005 0.000 1.072 180 A HN 0.600 nan 8.150 nan 0.000 0.495 181 D N -0.346 120.058 120.400 0.006 0.000 2.344 181 D HA 0.474 5.112 4.640 -0.004 0.000 0.239 181 D C -1.068 175.237 176.300 0.008 0.000 1.064 181 D CA -0.250 53.755 54.000 0.007 0.000 0.829 181 D CB 1.215 42.020 40.800 0.008 0.000 1.129 181 D HN 0.222 nan 8.370 nan 0.000 0.506 182 V N 3.594 123.513 119.914 0.008 0.000 2.398 182 V HA 0.357 4.474 4.120 -0.004 0.000 0.286 182 V C -0.189 175.913 176.094 0.013 0.000 1.026 182 V CA -0.829 61.477 62.300 0.010 0.000 0.868 182 V CB 1.599 33.426 31.823 0.006 0.000 0.982 182 V HN 0.607 nan 8.190 nan 0.000 0.443 183 D N 2.873 123.283 120.400 0.017 0.000 2.177 183 D HA 0.463 5.100 4.640 -0.004 0.000 0.247 183 D C 0.807 177.123 176.300 0.026 0.000 1.063 183 D CA -0.373 53.641 54.000 0.024 0.000 0.867 183 D CB 1.861 42.678 40.800 0.027 0.000 1.168 183 D HN 0.394 nan 8.370 nan 0.000 0.445 184 L N 1.981 123.225 121.223 0.035 0.000 2.529 184 L HA 0.247 4.584 4.340 -0.004 0.000 0.223 184 L C 1.537 178.441 176.870 0.058 0.000 1.113 184 L CA 0.251 55.115 54.840 0.041 0.000 0.861 184 L CB -0.706 41.380 42.059 0.044 0.000 1.012 184 L HN 0.748 nan 8.230 nan 0.000 0.461 185 G N 0.606 109.443 108.800 0.062 0.000 2.514 185 G HA2 -0.404 3.554 3.960 -0.004 0.000 0.265 185 G HA3 -0.404 3.554 3.960 -0.004 0.000 0.265 185 G C 0.873 175.832 174.900 0.098 0.000 1.150 185 G CA 0.347 45.493 45.100 0.076 0.000 0.959 185 G HN 0.241 nan 8.290 nan 0.000 0.556 186 A N -0.188 122.702 122.820 0.116 0.000 1.933 186 A HA 0.398 4.716 4.320 -0.004 0.000 0.218 186 A C 2.817 180.514 177.584 0.189 0.000 1.175 186 A CA 3.174 55.290 52.037 0.131 0.000 0.628 186 A CB -0.859 18.218 19.000 0.128 0.000 0.814 186 A HN 2.314 nan 8.150 nan 0.000 0.444 187 A N -0.310 122.621 122.820 0.186 0.000 2.239 187 A HA 0.104 4.421 4.320 -0.004 0.000 0.209 187 A C 0.522 178.225 177.584 0.198 0.000 1.171 187 A CA 0.028 52.212 52.037 0.246 0.000 0.768 187 A CB -0.281 18.847 19.000 0.214 0.000 0.790 187 A HN 0.376 nan 8.150 nan 0.000 0.478 188 E N -0.148 120.158 120.200 0.175 0.000 2.606 188 E HA 0.224 4.571 4.350 -0.004 0.000 0.248 188 E C 1.285 178.015 176.600 0.217 0.000 1.005 188 E CA 1.161 57.650 56.400 0.148 0.000 0.946 188 E CB 0.074 29.849 29.700 0.124 0.000 0.928 188 E HN 0.674 nan 8.360 nan 0.000 0.494 189 G N 3.280 112.136 108.800 0.093 0.000 2.217 189 G HA2 -0.381 3.577 3.960 -0.004 0.000 0.246 189 G HA3 -0.381 3.577 3.960 -0.004 0.000 0.246 189 G C 0.625 175.410 174.900 -0.191 0.000 0.990 189 G CA 0.491 45.608 45.100 0.028 0.000 0.627 189 G HN 0.572 nan 8.290 nan 0.000 0.522 190 Y N 1.105 121.189 120.300 -0.359 0.000 2.331 190 Y HA 0.711 5.259 4.550 -0.004 0.000 0.282 190 Y C 1.804 177.609 175.900 -0.158 0.000 1.140 190 Y CA 1.335 59.204 58.100 -0.386 0.000 1.198 190 Y CB -0.337 37.904 38.460 -0.365 0.000 1.159 190 Y HN 0.656 nan 8.280 nan 0.000 0.512 191 A N 2.201 124.875 122.820 -0.243 0.000 2.388 191 A HA 0.249 4.567 4.320 -0.004 0.000 0.257 191 A C -0.047 177.439 177.584 -0.164 0.000 1.095 191 A CA -0.531 51.343 52.037 -0.272 0.000 0.791 191 A CB -0.061 18.875 19.000 -0.106 0.000 1.029 191 A HN 0.466 nan 8.150 nan 0.000 0.489 192 E N 0.037 120.140 120.200 -0.162 0.000 2.404 192 E HA 0.220 4.568 4.350 -0.004 0.000 0.261 192 E C -1.028 175.532 176.600 -0.065 0.000 1.074 192 E CA -0.214 56.125 56.400 -0.100 0.000 0.917 192 E CB 1.232 30.875 29.700 -0.095 0.000 0.965 192 E HN 0.461 nan 8.360 nan 0.000 0.433 193 L N 2.562 123.759 121.223 -0.044 0.000 2.325 193 L HA 0.271 4.609 4.340 -0.004 0.000 0.281 193 L C -0.857 175.998 176.870 -0.025 0.000 1.004 193 L CA -0.363 54.459 54.840 -0.029 0.000 0.823 193 L CB 1.450 43.499 42.059 -0.017 0.000 1.236 193 L HN 0.202 nan 8.230 nan 0.000 0.415 194 D N 3.275 123.661 120.400 -0.024 0.000 2.493 194 D HA 0.204 4.842 4.640 -0.004 0.000 0.235 194 D C -0.819 175.473 176.300 -0.012 0.000 1.117 194 D CA -0.122 53.867 54.000 -0.019 0.000 0.930 194 D CB 0.325 41.113 40.800 -0.021 0.000 1.010 194 D HN 0.474 nan 8.370 nan 0.000 0.514 195 N N 2.369 121.063 118.700 -0.009 0.000 2.439 195 N HA 0.197 4.934 4.740 -0.004 0.000 0.249 195 N C 0.144 175.652 175.510 -0.003 0.000 1.003 195 N CA -0.256 52.791 53.050 -0.005 0.000 0.942 195 N CB 0.589 39.074 38.487 -0.003 0.000 1.115 195 N HN 0.169 nan 8.380 nan 0.000 0.505 196 R N 1.774 122.273 120.500 -0.002 0.000 2.508 196 R HA 0.308 4.646 4.340 -0.004 0.000 0.300 196 R C -0.142 176.158 176.300 0.001 0.000 0.970 196 R CA -0.365 55.735 56.100 -0.001 0.000 1.102 196 R CB 0.318 30.617 30.300 -0.002 0.000 1.246 196 R HN 0.483 nan 8.270 nan 0.000 0.539 197 A N 1.343 124.165 122.820 0.002 0.000 2.388 197 A HA 0.434 4.752 4.320 -0.004 0.000 0.257 197 A C 0.067 177.653 177.584 0.003 0.000 1.095 197 A CA -0.134 51.905 52.037 0.003 0.000 0.791 197 A CB 0.950 19.952 19.000 0.005 0.000 1.029 197 A HN 0.019 nan 8.150 nan 0.000 0.489 198 V N 1.372 121.288 119.914 0.004 0.000 3.113 198 V HA 0.677 4.795 4.120 -0.004 0.000 0.316 198 V C 0.066 176.163 176.094 0.004 0.000 1.125 198 V CA -0.374 61.928 62.300 0.003 0.000 1.026 198 V CB 2.651 34.476 31.823 0.003 0.000 1.080 198 V HN 0.985 nan 8.190 nan 0.000 0.444 199 T N 2.772 117.328 114.554 0.003 0.000 2.795 199 T HA 0.668 5.016 4.350 -0.004 0.000 0.282 199 T C 0.056 174.758 174.700 0.003 0.000 0.980 199 T CA 0.015 62.117 62.100 0.004 0.000 1.012 199 T CB 1.256 70.126 68.868 0.003 0.000 0.936 199 T HN 1.026 nan 8.240 nan 0.000 0.457 200 G N 1.004 109.806 108.800 0.003 0.000 2.461 200 G HA2 0.642 4.600 3.960 -0.004 0.000 0.329 200 G HA3 0.642 4.600 3.960 -0.004 0.000 0.329 200 G C -0.020 174.882 174.900 0.003 0.000 1.170 200 G CA -0.935 44.166 45.100 0.003 0.000 0.935 200 G HN 1.011 nan 8.290 nan 0.000 0.492 201 A N -0.178 122.644 122.820 0.002 0.000 2.583 201 A HA 0.467 4.785 4.320 -0.004 0.000 0.231 201 A C 1.239 178.824 177.584 0.002 0.000 1.065 201 A CA 0.602 52.641 52.037 0.002 0.000 0.760 201 A CB -0.318 18.683 19.000 0.002 0.000 1.001 201 A HN 2.102 nan 8.150 nan 0.000 0.509 202 A N 1.074 123.896 122.820 0.002 0.000 2.540 202 A HA 0.476 4.794 4.320 -0.004 0.000 0.239 202 A C 1.802 179.387 177.584 0.002 0.000 1.061 202 A CA 0.912 52.951 52.037 0.002 0.000 0.758 202 A CB -0.861 18.140 19.000 0.002 0.000 0.991 202 A HN 2.820 nan 8.150 nan 0.000 0.502 203 G N 1.538 110.340 108.800 0.002 0.000 2.212 203 G HA2 -0.261 3.697 3.960 -0.004 0.000 0.266 203 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.266 203 G C 0.950 175.851 174.900 0.002 0.000 0.978 203 G CA 1.338 46.439 45.100 0.002 0.000 0.632 203 G HN 2.206 nan 8.290 nan 0.000 0.537 204 S N 0.157 115.859 115.700 0.002 0.000 2.647 204 S HA 0.634 5.102 4.470 -0.004 0.000 0.251 204 S C 0.650 175.251 174.600 0.003 0.000 1.320 204 S CA 0.728 58.930 58.200 0.002 0.000 0.968 204 S CB 1.036 64.238 63.200 0.002 0.000 1.005 204 S HN 1.987 nan 8.310 nan 0.000 0.576 205 A N 1.073 123.895 122.820 0.003 0.000 2.288 205 A HA 0.527 4.845 4.320 -0.004 0.000 0.320 205 A C -0.054 177.532 177.584 0.004 0.000 1.217 205 A CA -0.760 51.279 52.037 0.003 0.000 0.840 205 A CB 0.141 19.143 19.000 0.003 0.000 1.179 205 A HN 0.769 nan 8.150 nan 0.000 0.504 206 N N 2.166 120.868 118.700 0.004 0.000 2.416 206 N HA 0.120 4.858 4.740 -0.004 0.000 0.265 206 N C 0.467 175.981 175.510 0.007 0.000 1.195 206 N CA 0.830 53.884 53.050 0.005 0.000 0.943 206 N CB 0.634 39.124 38.487 0.005 0.000 1.115 206 N HN 0.617 nan 8.380 nan 0.000 0.481 207 T N 1.404 115.962 114.554 0.008 0.000 3.380 207 T HA 0.223 4.570 4.350 -0.004 0.000 0.289 207 T C 0.254 174.960 174.700 0.012 0.000 1.012 207 T CA -0.621 61.484 62.100 0.009 0.000 0.944 207 T CB -0.485 68.388 68.868 0.008 0.000 1.172 207 T HN 0.275 nan 8.240 nan 0.000 0.502 208 L N 2.157 123.387 121.223 0.012 0.000 2.349 208 L HA 0.671 5.008 4.340 -0.004 0.000 0.275 208 L C -0.774 176.109 176.870 0.021 0.000 1.115 208 L CA -0.266 54.583 54.840 0.014 0.000 0.820 208 L CB 1.115 43.182 42.059 0.013 0.000 1.135 208 L HN 0.174 nan 8.230 nan 0.000 0.445 209 V N 6.512 126.440 119.914 0.023 0.000 2.531 209 V HA 0.462 4.580 4.120 -0.004 0.000 0.301 209 V C -0.190 175.922 176.094 0.031 0.000 1.034 209 V CA -0.495 61.825 62.300 0.034 0.000 0.865 209 V CB 1.720 33.562 31.823 0.033 0.000 0.995 209 V HN 0.557 nan 8.190 nan 0.000 0.424 210 I N 3.863 124.460 120.570 0.044 0.000 2.362 210 I HA 0.595 4.763 4.170 -0.004 0.000 0.289 210 I C -0.822 175.311 176.117 0.025 0.000 0.994 210 I CA -0.170 61.149 61.300 0.031 0.000 1.158 210 I CB 1.771 39.788 38.000 0.029 0.000 1.315 210 I HN 0.555 nan 8.210 nan 0.000 0.451 211 D N 4.612 125.007 120.400 -0.009 0.000 2.645 211 D HA 0.405 5.043 4.640 -0.004 0.000 0.228 211 D C -0.982 175.278 176.300 -0.068 0.000 1.148 211 D CA -0.743 53.231 54.000 -0.044 0.000 0.860 211 D CB 2.331 43.117 40.800 -0.023 0.000 1.548 211 D HN 0.412 nan 8.370 nan 0.000 0.460 212 R N 2.777 123.213 120.500 -0.107 0.000 2.358 212 R HA 0.488 4.826 4.340 -0.004 0.000 0.309 212 R C -2.508 173.742 176.300 -0.082 0.000 1.026 212 R CA -1.716 54.330 56.100 -0.090 0.000 0.909 212 R CB 1.183 31.423 30.300 -0.100 0.000 1.153 212 R HN 0.224 nan 8.270 nan 0.000 0.515 213 P HA -0.119 nan 4.420 nan 0.000 0.267 213 P C -0.447 176.830 177.300 -0.038 0.000 1.200 213 P CA -0.280 62.794 63.100 -0.042 0.000 0.772 213 P CB 0.741 32.422 31.700 -0.032 0.000 0.855 214 V N 3.871 123.769 119.914 -0.027 0.000 2.557 214 V HA 0.210 4.327 4.120 -0.004 0.000 0.301 214 V C 1.337 177.425 176.094 -0.010 0.000 1.026 214 V CA 1.641 63.932 62.300 -0.015 0.000 1.137 214 V CB -0.852 30.970 31.823 -0.001 0.000 0.917 214 V HN 0.977 nan 8.190 nan 0.000 0.484 215 G N 3.855 112.653 108.800 -0.004 0.000 2.179 215 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.257 215 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.257 215 G C 0.215 175.106 174.900 -0.015 0.000 1.010 215 G CA 0.795 45.893 45.100 -0.002 0.000 0.736 215 G HN 1.678 nan 8.290 nan 0.000 0.513 216 T N -3.445 111.093 114.554 -0.027 0.000 2.927 216 T HA 0.643 4.990 4.350 -0.004 0.000 0.286 216 T C 0.088 174.753 174.700 -0.059 0.000 1.040 216 T CA -0.409 61.666 62.100 -0.043 0.000 1.010 216 T CB 2.064 70.904 68.868 -0.046 0.000 1.177 216 T HN 0.089 nan 8.240 nan 0.000 0.546 217 N N 0.260 118.905 118.700 -0.091 0.000 2.635 217 N HA 0.323 5.060 4.740 -0.004 0.000 0.307 217 N C -1.228 174.200 175.510 -0.137 0.000 1.433 217 N CA -0.311 52.657 53.050 -0.137 0.000 0.973 217 N CB 0.171 38.515 38.487 -0.238 0.000 1.304 217 N HN 0.671 nan 8.380 nan 0.000 0.507 218 T N 0.897 115.396 114.554 -0.092 0.000 2.824 218 T HA 0.412 4.760 4.350 -0.004 0.000 0.282 218 T C -0.094 174.570 174.700 -0.061 0.000 0.993 218 T CA -0.518 61.537 62.100 -0.076 0.000 0.967 218 T CB 1.268 70.099 68.868 -0.062 0.000 0.960 218 T HN -0.017 nan 8.240 nan 0.000 0.441 219 I N 3.227 123.766 120.570 -0.051 0.000 2.297 219 I HA 0.441 4.608 4.170 -0.004 0.000 0.291 219 I C 0.477 176.577 176.117 -0.030 0.000 1.033 219 I CA -0.684 60.593 61.300 -0.038 0.000 1.253 219 I CB 0.296 38.280 38.000 -0.027 0.000 1.396 219 I HN 0.685 nan 8.210 nan 0.000 0.476 220 A N 7.562 130.365 122.820 -0.028 0.000 2.258 220 A HA 0.653 4.970 4.320 -0.004 0.000 0.316 220 A C -0.351 177.227 177.584 -0.010 0.000 1.279 220 A CA -0.470 51.556 52.037 -0.019 0.000 0.876 220 A CB 0.754 19.742 19.000 -0.020 0.000 1.170 220 A HN 0.430 nan 8.150 nan 0.000 0.520 221 V N 3.355 123.266 119.914 -0.005 0.000 2.370 221 V HA 0.615 4.732 4.120 -0.004 0.000 0.283 221 V C 0.473 176.568 176.094 0.002 0.000 1.023 221 V CA -0.216 62.084 62.300 0.001 0.000 0.857 221 V CB 1.105 32.929 31.823 0.002 0.000 0.985 221 V HN 1.022 nan 8.190 nan 0.000 0.443 222 T N 0.951 115.509 114.554 0.006 0.000 2.926 222 T HA 0.956 5.304 4.350 -0.004 0.000 0.289 222 T C 0.205 174.910 174.700 0.008 0.000 1.054 222 T CA -0.217 61.887 62.100 0.006 0.000 1.015 222 T CB 1.841 70.713 68.868 0.006 0.000 1.167 222 T HN 1.794 nan 8.240 nan 0.000 0.526 223 G N 0.401 109.205 108.800 0.007 0.000 2.592 223 G HA2 0.193 4.151 3.960 -0.004 0.000 0.684 223 G HA3 0.193 4.151 3.960 -0.004 0.000 0.684 223 G C -0.652 174.252 174.900 0.006 0.000 1.291 223 G CA -0.540 44.564 45.100 0.008 0.000 0.891 223 G HN 1.069 nan 8.290 nan 0.000 0.544 224 S N -0.761 114.943 115.700 0.006 0.000 2.509 224 S HA 0.702 5.169 4.470 -0.004 0.000 0.297 224 S C -0.367 174.237 174.600 0.006 0.000 1.118 224 S CA -0.504 57.699 58.200 0.005 0.000 1.074 224 S CB 1.767 64.969 63.200 0.005 0.000 1.038 224 S HN 1.206 nan 8.310 nan 0.000 0.498 225 L N 4.213 125.439 121.223 0.005 0.000 2.305 225 L HA 0.569 4.907 4.340 -0.004 0.000 0.284 225 L C -2.766 174.106 176.870 0.005 0.000 1.013 225 L CA -2.029 52.814 54.840 0.005 0.000 0.819 225 L CB 1.143 43.205 42.059 0.006 0.000 1.227 225 L HN 0.324 nan 8.230 nan 0.000 0.417 226 P HA 0.089 nan 4.420 nan 0.000 0.266 226 P C 0.005 177.307 177.300 0.004 0.000 1.195 226 P CA 0.104 63.206 63.100 0.004 0.000 0.768 226 P CB 0.836 32.538 31.700 0.003 0.000 0.838 227 A N 3.274 126.096 122.820 0.003 0.000 2.076 227 A HA -0.180 4.137 4.320 -0.004 0.000 0.220 227 A C 1.260 178.846 177.584 0.003 0.000 1.160 227 A CA 1.923 53.962 52.037 0.003 0.000 0.653 227 A CB -0.954 18.048 19.000 0.003 0.000 0.801 227 A HN 0.645 nan 8.150 nan 0.000 0.455 228 D N -0.806 119.596 120.400 0.003 0.000 2.424 228 D HA 0.444 5.082 4.640 -0.004 0.000 0.220 228 D C 0.434 176.736 176.300 0.003 0.000 1.150 228 D CA 0.377 54.379 54.000 0.003 0.000 0.831 228 D CB -0.523 40.279 40.800 0.003 0.000 0.981 228 D HN 0.327 nan 8.370 nan 0.000 0.500 229 A N 0.442 123.264 122.820 0.004 0.000 2.332 229 A HA 0.636 4.953 4.320 -0.004 0.000 0.258 229 A C 0.624 178.210 177.584 0.004 0.000 1.087 229 A CA -0.199 51.840 52.037 0.004 0.000 0.802 229 A CB 0.408 19.410 19.000 0.004 0.000 1.042 229 A HN 0.356 nan 8.150 nan 0.000 0.489 230 A N 1.976 124.798 122.820 0.004 0.000 2.462 230 A HA 0.535 4.852 4.320 -0.004 0.000 0.243 230 A C -2.234 175.353 177.584 0.005 0.000 1.076 230 A CA -0.967 51.072 52.037 0.004 0.000 0.773 230 A CB -0.806 18.196 19.000 0.004 0.000 1.010 230 A HN 0.626 nan 8.150 nan 0.000 0.493 231 P HA 0.245 nan 4.420 nan 0.000 0.268 231 P C -0.735 176.570 177.300 0.007 0.000 1.204 231 P CA -0.078 63.026 63.100 0.007 0.000 0.768 231 P CB 0.595 32.300 31.700 0.009 0.000 0.842 232 V N 3.297 123.216 119.914 0.008 0.000 2.481 232 V HA 0.442 4.559 4.120 -0.004 0.000 0.286 232 V C 0.648 176.746 176.094 0.008 0.000 1.042 232 V CA -0.136 62.168 62.300 0.007 0.000 0.928 232 V CB 1.328 33.156 31.823 0.008 0.000 0.986 232 V HN 0.727 nan 8.190 nan 0.000 0.462 233 T N 1.712 116.269 114.554 0.005 0.000 2.912 233 T HA 0.903 5.251 4.350 -0.004 0.000 0.288 233 T C -0.573 174.125 174.700 -0.002 0.000 1.030 233 T CA -0.560 61.541 62.100 0.002 0.000 1.020 233 T CB 2.068 70.938 68.868 0.004 0.000 1.056 233 T HN 1.185 nan 8.240 nan 0.000 0.480 234 A N 2.557 125.372 122.820 -0.009 0.000 2.517 234 A HA 0.670 4.987 4.320 -0.004 0.000 0.297 234 A C -0.892 176.671 177.584 -0.034 0.000 1.050 234 A CA -0.956 51.078 52.037 -0.006 0.000 0.694 234 A CB 1.220 20.233 19.000 0.022 0.000 1.277 234 A HN 0.938 nan 8.150 nan 0.000 0.400 235 L N 2.952 124.148 121.223 -0.044 0.000 2.290 235 L HA 0.523 4.861 4.340 -0.004 0.000 0.284 235 L C 0.126 176.981 176.870 -0.025 0.000 1.078 235 L CA -0.536 54.257 54.840 -0.079 0.000 0.815 235 L CB 0.658 42.654 42.059 -0.106 0.000 1.162 235 L HN 0.620 nan 8.230 nan 0.000 0.435 236 R N 1.241 121.718 120.500 -0.039 0.000 2.750 236 R HA 0.433 4.770 4.340 -0.004 0.000 0.281 236 R C -0.349 175.930 176.300 -0.035 0.000 0.972 236 R CA -0.688 55.388 56.100 -0.040 0.000 0.912 236 R CB 2.211 32.488 30.300 -0.039 0.000 1.187 236 R HN 0.679 nan 8.270 nan 0.000 0.464 237 T N -1.591 112.931 114.554 -0.053 0.000 2.904 237 T HA 0.429 4.776 4.350 -0.004 0.000 0.290 237 T C 0.721 175.429 174.700 0.013 0.000 1.018 237 T CA -0.707 61.384 62.100 -0.015 0.000 1.075 237 T CB 1.006 69.856 68.868 -0.031 0.000 0.986 237 T HN 0.345 nan 8.240 nan 0.000 0.523 238 V N -0.545 119.411 119.914 0.071 0.000 2.732 238 V HA 0.583 4.701 4.120 -0.004 0.000 0.310 238 V C -0.189 175.981 176.094 0.127 0.000 1.053 238 V CA -1.199 61.173 62.300 0.120 0.000 0.957 238 V CB 1.389 33.369 31.823 0.262 0.000 1.018 238 V HN 0.935 nan 8.190 nan 0.000 0.452 239 D N 2.284 122.750 120.400 0.109 0.000 2.351 239 D HA 0.217 4.855 4.640 -0.004 0.000 0.251 239 D C -0.013 176.413 176.300 0.211 0.000 1.137 239 D CA 0.764 54.831 54.000 0.113 0.000 0.879 239 D CB 0.277 41.102 40.800 0.042 0.000 1.181 239 D HN 0.790 nan 8.370 nan 0.000 0.448 240 E N 2.637 122.938 120.200 0.168 0.000 2.937 240 E HA -0.145 4.203 4.350 -0.004 0.000 0.152 240 E C -1.941 174.747 176.600 0.148 0.000 1.769 240 E CA 0.027 56.525 56.400 0.163 0.000 0.688 240 E CB -0.864 28.946 29.700 0.183 0.000 1.091 240 E HN 0.491 nan 8.360 nan 0.000 0.362 241 P HA -0.229 nan 4.420 nan 0.000 0.216 241 P C 1.306 178.608 177.300 0.003 0.000 1.154 241 P CA 2.376 65.517 63.100 0.068 0.000 0.865 241 P CB 0.183 31.932 31.700 0.081 0.000 0.789 242 A N -0.471 122.358 122.820 0.014 0.000 1.969 242 A HA -0.034 4.284 4.320 -0.004 0.000 0.218 242 A C 2.280 179.839 177.584 -0.041 0.000 1.169 242 A CA 1.760 53.789 52.037 -0.013 0.000 0.635 242 A CB -1.454 17.552 19.000 0.010 0.000 0.810 242 A HN 0.197 nan 8.150 nan 0.000 0.445 243 A N -0.249 122.546 122.820 -0.040 0.000 1.902 243 A HA -0.025 4.292 4.320 -0.004 0.000 0.217 243 A C 2.118 179.469 177.584 -0.388 0.000 1.181 243 A CA 1.659 53.642 52.037 -0.091 0.000 0.623 243 A CB -0.590 18.463 19.000 0.088 0.000 0.818 243 A HN 0.727 nan 8.150 nan 0.000 0.443 244 L N -0.193 120.634 121.223 -0.660 0.000 2.046 244 L HA -0.042 4.296 4.340 -0.004 0.000 0.208 244 L C 2.637 179.383 176.870 -0.206 0.000 1.077 244 L CA 2.166 56.604 54.840 -0.669 0.000 0.747 244 L CB -0.752 40.998 42.059 -0.514 0.000 0.896 244 L HN 0.337 nan 8.230 nan 0.000 0.432 245 A N -0.205 122.541 122.820 -0.122 0.000 1.917 245 A HA -0.185 4.133 4.320 -0.004 0.000 0.219 245 A C 2.357 179.934 177.584 -0.012 0.000 1.182 245 A CA 1.948 53.953 52.037 -0.054 0.000 0.633 245 A CB -1.750 17.212 19.000 -0.063 0.000 0.819 245 A HN 0.566 nan 8.150 nan 0.000 0.448 246 G N -1.231 107.558 108.800 -0.018 0.000 2.433 246 G HA2 -0.319 3.638 3.960 -0.004 0.000 0.216 246 G HA3 -0.319 3.638 3.960 -0.004 0.000 0.216 246 G C 1.471 176.423 174.900 0.087 0.000 1.186 246 G CA 1.554 46.683 45.100 0.048 0.000 0.779 246 G HN 0.797 nan 8.290 nan 0.000 0.543 247 H N 0.765 119.794 119.070 -0.070 0.000 2.289 247 H HA 0.002 4.555 4.556 -0.004 0.000 0.296 247 H C 2.472 177.795 175.328 -0.008 0.000 1.091 247 H CA 1.740 57.758 56.048 -0.050 0.000 1.274 247 H CB -0.436 29.257 29.762 -0.115 0.000 1.364 247 H HN 0.260 nan 8.280 nan 0.000 0.490 248 L N -1.019 120.105 121.223 -0.165 0.000 2.191 248 L HA -0.144 4.194 4.340 -0.004 0.000 0.212 248 L C 2.156 179.007 176.870 -0.033 0.000 1.103 248 L CA 0.968 55.717 54.840 -0.152 0.000 0.769 248 L CB -0.456 41.579 42.059 -0.039 0.000 0.908 248 L HN 0.285 nan 8.230 nan 0.000 0.438 249 F N 1.368 121.244 119.950 -0.124 0.000 2.163 249 F HA -0.190 4.335 4.527 -0.004 0.000 0.297 249 F C 2.565 178.311 175.800 -0.089 0.000 1.094 249 F CA 1.690 59.637 58.000 -0.088 0.000 1.290 249 F CB -0.159 38.804 39.000 -0.063 0.000 1.017 249 F HN 0.194 nan 8.300 nan 0.000 0.483 250 E N -0.210 119.925 120.200 -0.108 0.000 2.204 250 E HA -0.208 4.140 4.350 -0.004 0.000 0.194 250 E C 1.763 178.237 176.600 -0.210 0.000 0.989 250 E CA 1.578 57.865 56.400 -0.188 0.000 0.824 250 E CB -0.507 29.145 29.700 -0.081 0.000 0.756 250 E HN 0.573 nan 8.360 nan 0.000 0.477 251 E N 0.660 120.734 120.200 -0.211 0.000 2.047 251 E HA -0.141 4.207 4.350 -0.004 0.000 0.191 251 E C 2.184 178.673 176.600 -0.184 0.000 0.987 251 E CA 0.932 57.219 56.400 -0.188 0.000 0.799 251 E CB -0.152 29.421 29.700 -0.211 0.000 0.752 251 E HN 0.451 nan 8.360 nan 0.000 0.449 252 A N 1.420 124.112 122.820 -0.213 0.000 1.883 252 A HA -0.191 4.127 4.320 -0.004 0.000 0.217 252 A C 2.210 179.625 177.584 -0.282 0.000 1.186 252 A CA 1.163 53.072 52.037 -0.215 0.000 0.624 252 A CB -0.734 18.154 19.000 -0.188 0.000 0.822 252 A HN 0.128 nan 8.150 nan 0.000 0.444 253 L N -1.209 119.752 121.223 -0.438 0.000 1.994 253 L HA -0.215 4.122 4.340 -0.004 0.000 0.208 253 L C 2.704 179.444 176.870 -0.216 0.000 1.071 253 L CA 1.846 56.453 54.840 -0.387 0.000 0.745 253 L CB -0.581 41.198 42.059 -0.467 0.000 0.892 253 L HN 0.386 nan 8.230 nan 0.000 0.431 254 E N -0.238 119.852 120.200 -0.184 0.000 2.130 254 E HA -0.245 4.102 4.350 -0.004 0.000 0.196 254 E C 2.338 178.879 176.600 -0.098 0.000 0.998 254 E CA 1.604 57.932 56.400 -0.120 0.000 0.806 254 E CB -0.142 29.494 29.700 -0.105 0.000 0.738 254 E HN 0.263 nan 8.360 nan 0.000 0.459 255 S N -0.470 115.165 115.700 -0.108 0.000 2.406 255 S HA -0.016 4.452 4.470 -0.004 0.000 0.228 255 S C 1.319 175.875 174.600 -0.074 0.000 1.020 255 S CA 0.813 58.964 58.200 -0.082 0.000 0.965 255 S CB -0.202 62.950 63.200 -0.080 0.000 0.798 255 S HN 0.301 nan 8.310 nan 0.000 0.488 256 N N 0.382 119.026 118.700 -0.093 0.000 2.314 256 N HA 0.149 4.887 4.740 -0.004 0.000 0.200 256 N C 0.992 176.463 175.510 -0.064 0.000 1.135 256 N CA 0.701 53.707 53.050 -0.074 0.000 0.835 256 N CB 0.689 39.128 38.487 -0.080 0.000 0.989 256 N HN 0.592 nan 8.380 nan 0.000 0.478 257 G N 0.109 108.870 108.800 -0.066 0.000 2.179 257 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.220 257 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.220 257 G C 0.012 174.879 174.900 -0.056 0.000 0.990 257 G CA -0.248 44.820 45.100 -0.052 0.000 0.646 257 G HN 0.165 nan 8.290 nan 0.000 0.517 258 V N 1.642 121.510 119.914 -0.076 0.000 2.481 258 V HA 0.635 4.753 4.120 -0.004 0.000 0.286 258 V C 0.405 176.451 176.094 -0.080 0.000 1.042 258 V CA 0.251 62.505 62.300 -0.075 0.000 0.928 258 V CB 1.704 33.471 31.823 -0.093 0.000 0.986 258 V HN 0.252 nan 8.190 nan 0.000 0.462 259 T N 4.316 118.834 114.554 -0.059 0.000 2.963 259 T HA 0.356 4.703 4.350 -0.004 0.000 0.343 259 T C -0.249 174.421 174.700 -0.049 0.000 1.146 259 T CA -0.291 61.778 62.100 -0.052 0.000 1.016 259 T CB 0.788 69.633 68.868 -0.037 0.000 1.046 259 T HN 0.343 nan 8.240 nan 0.000 0.496 260 V N 5.072 124.950 119.914 -0.061 0.000 2.488 260 V HA 0.275 4.393 4.120 -0.004 0.000 0.277 260 V C 1.412 177.480 176.094 -0.044 0.000 1.046 260 V CA -0.273 61.993 62.300 -0.056 0.000 0.986 260 V CB 0.780 32.560 31.823 -0.071 0.000 0.989 260 V HN 0.833 nan 8.190 nan 0.000 0.475 261 K N 3.215 123.592 120.400 -0.037 0.000 2.402 261 K HA 0.271 4.589 4.320 -0.004 0.000 0.203 261 K C 0.704 177.284 176.600 -0.032 0.000 1.077 261 K CA 0.261 56.530 56.287 -0.029 0.000 1.051 261 K CB 0.857 33.344 32.500 -0.020 0.000 0.907 261 K HN 0.645 nan 8.250 nan 0.000 0.554 262 G N 1.199 109.971 108.800 -0.047 0.000 2.553 262 G HA2 0.139 4.096 3.960 -0.004 0.000 0.278 262 G HA3 0.139 4.096 3.960 -0.004 0.000 0.278 262 G C -0.549 174.308 174.900 -0.072 0.000 1.349 262 G CA -0.437 44.627 45.100 -0.061 0.000 1.037 262 G HN 0.111 nan 8.290 nan 0.000 0.508 263 D N -1.662 118.684 120.400 -0.089 0.000 2.478 263 D HA 0.452 5.090 4.640 -0.004 0.000 0.274 263 D C -0.164 176.053 176.300 -0.139 0.000 1.234 263 D CA 0.019 53.971 54.000 -0.080 0.000 1.069 263 D CB 1.432 42.203 40.800 -0.048 0.000 1.113 263 D HN 0.054 nan 8.370 nan 0.000 0.571 264 V N -0.916 118.945 119.914 -0.089 0.000 2.656 264 V HA 0.779 4.897 4.120 -0.004 0.000 0.307 264 V C 0.530 176.598 176.094 -0.043 0.000 1.051 264 V CA -0.436 61.809 62.300 -0.092 0.000 0.893 264 V CB 1.638 33.463 31.823 0.004 0.000 0.999 264 V HN 0.831 nan 8.190 nan 0.000 0.426 265 G N 2.627 111.404 108.800 -0.038 0.000 2.428 265 G HA2 0.546 4.504 3.960 -0.004 0.000 0.304 265 G HA3 0.546 4.504 3.960 -0.004 0.000 0.304 265 G C -1.779 173.233 174.900 0.186 0.000 1.303 265 G CA -0.902 44.250 45.100 0.088 0.000 0.825 265 G HN 0.595 nan 8.290 nan 0.000 0.484 266 L N 0.093 121.439 121.223 0.204 0.000 2.421 266 L HA 0.790 5.128 4.340 -0.004 0.000 0.263 266 L C 0.833 177.836 176.870 0.221 0.000 1.122 266 L CA 0.046 55.000 54.840 0.189 0.000 0.804 266 L CB 1.413 43.541 42.059 0.115 0.000 1.150 266 L HN 1.208 nan 8.230 nan 0.000 0.457 267 G N 0.060 108.941 108.800 0.134 0.000 2.386 267 G HA2 0.428 4.386 3.960 -0.004 0.000 0.302 267 G HA3 0.428 4.386 3.960 -0.004 0.000 0.302 267 G C -1.130 173.788 174.900 0.031 0.000 1.629 267 G CA -0.330 44.756 45.100 -0.023 0.000 0.917 267 G HN 0.830 nan 8.290 nan 0.000 0.676 268 G N -0.841 107.885 108.800 -0.124 0.000 2.437 268 G HA2 0.648 4.605 3.960 -0.004 0.000 0.319 268 G HA3 0.648 4.605 3.960 -0.004 0.000 0.319 268 G C 0.256 174.761 174.900 -0.659 0.000 1.158 268 G CA -0.482 44.464 45.100 -0.256 0.000 0.899 268 G HN 1.289 nan 8.290 nan 0.000 0.502 269 V N 2.432 121.787 119.914 -0.930 0.000 2.584 269 V HA -0.011 4.107 4.120 -0.004 0.000 0.303 269 V C -0.805 174.741 176.094 -0.914 0.000 1.035 269 V CA -0.349 61.155 62.300 -1.327 0.000 1.172 269 V CB 1.103 32.414 31.823 -0.852 0.000 0.896 269 V HN 0.651 nan 8.190 nan 0.000 0.486 270 P HA -0.201 nan 4.420 nan 0.000 0.219 270 P C 1.213 178.287 177.300 -0.377 0.000 1.144 270 P CA 1.705 64.407 63.100 -0.662 0.000 0.806 270 P CB 0.064 31.319 31.700 -0.743 0.000 0.771 271 A N -0.476 122.148 122.820 -0.327 0.000 4.109 271 A HA -0.314 4.004 4.320 -0.004 0.000 0.250 271 A C 1.202 178.782 177.584 -0.007 0.000 0.772 271 A CA 1.858 53.825 52.037 -0.118 0.000 1.320 271 A CB -2.727 16.205 19.000 -0.113 0.000 1.076 271 A HN 0.490 nan 8.150 nan 0.000 0.723 272 D N -1.820 118.593 120.400 0.021 0.000 2.400 272 D HA 0.314 4.951 4.640 -0.004 0.000 0.243 272 D C -0.050 176.433 176.300 0.305 0.000 1.184 272 D CA -0.036 54.039 54.000 0.125 0.000 0.853 272 D CB -0.210 40.652 40.800 0.104 0.000 0.944 272 D HN 0.522 nan 8.370 nan 0.000 0.501 273 W N 0.764 122.048 121.300 -0.026 0.000 2.391 273 W HA 0.405 5.063 4.660 -0.003 0.000 0.311 273 W C 1.132 177.640 176.519 -0.018 0.000 1.087 273 W CA -1.070 56.263 57.345 -0.020 0.000 1.209 273 W CB 1.748 31.188 29.460 -0.034 0.000 1.273 273 W HN -0.051 nan 8.180 nan 0.000 0.482 274 Q N 1.052 120.938 119.800 0.144 0.000 2.200 274 Q HA -0.030 4.307 4.340 -0.004 0.000 0.197 274 Q C -0.036 175.999 176.000 0.059 0.000 0.953 274 Q CA 1.291 57.141 55.803 0.078 0.000 0.851 274 Q CB 0.272 29.033 28.738 0.038 0.000 0.938 274 Q HN 0.309 nan 8.270 nan 0.000 0.488 275 D N 0.118 120.534 120.400 0.027 0.000 2.607 275 D HA 0.375 5.012 4.640 -0.004 0.000 0.318 275 D C -1.426 174.874 176.300 -0.001 0.000 1.212 275 D CA -0.190 53.818 54.000 0.013 0.000 0.861 275 D CB 0.377 41.172 40.800 -0.010 0.000 1.064 275 D HN 0.351 nan 8.370 nan 0.000 0.500 276 A N 1.698 124.563 122.820 0.074 0.000 2.580 276 A HA 0.112 4.430 4.320 -0.004 0.000 0.244 276 A C 0.583 178.196 177.584 0.049 0.000 1.045 276 A CA 0.238 52.338 52.037 0.106 0.000 0.761 276 A CB 0.151 19.348 19.000 0.328 0.000 0.962 276 A HN 0.377 nan 8.150 nan 0.000 0.512 277 E N 2.303 122.504 120.200 0.002 0.000 2.180 277 E HA 0.377 4.725 4.350 -0.004 0.000 0.283 277 E C -0.654 175.981 176.600 0.058 0.000 1.061 277 E CA -0.058 56.350 56.400 0.012 0.000 0.861 277 E CB 0.686 30.375 29.700 -0.019 0.000 1.056 277 E HN 0.361 nan 8.360 nan 0.000 0.407 278 V N 7.477 127.421 119.914 0.051 0.000 2.408 278 V HA 0.070 4.188 4.120 -0.004 0.000 0.267 278 V C 1.053 177.176 176.094 0.048 0.000 1.047 278 V CA 0.035 62.368 62.300 0.055 0.000 0.937 278 V CB 0.724 32.565 31.823 0.030 0.000 0.999 278 V HN 0.771 nan 8.190 nan 0.000 0.472 279 L N 4.074 125.337 121.223 0.067 0.000 2.513 279 L HA 0.582 4.920 4.340 -0.004 0.000 0.222 279 L C 0.842 177.751 176.870 0.066 0.000 1.096 279 L CA 0.671 55.549 54.840 0.064 0.000 0.857 279 L CB 0.144 42.251 42.059 0.081 0.000 1.026 279 L HN 0.758 nan 8.230 nan 0.000 0.469 280 A N -0.007 122.854 122.820 0.068 0.000 2.597 280 A HA 0.611 4.929 4.320 -0.004 0.000 0.292 280 A C -1.986 175.624 177.584 0.043 0.000 1.057 280 A CA -0.542 51.535 52.037 0.067 0.000 0.674 280 A CB 1.359 20.425 19.000 0.111 0.000 1.278 280 A HN 0.063 nan 8.150 nan 0.000 0.416 281 D N -0.155 120.270 120.400 0.041 0.000 2.648 281 D HA 0.561 5.199 4.640 -0.004 0.000 0.244 281 D C -1.146 175.193 176.300 0.066 0.000 1.244 281 D CA -0.198 53.817 54.000 0.024 0.000 0.772 281 D CB 1.071 41.863 40.800 -0.013 0.000 1.379 281 D HN 0.766 nan 8.370 nan 0.000 0.428 282 H N -1.020 118.018 119.070 -0.053 0.000 2.895 282 H HA 0.729 5.283 4.556 -0.004 0.000 0.373 282 H C -1.314 173.977 175.328 -0.062 0.000 1.174 282 H CA -0.161 55.860 56.048 -0.046 0.000 1.144 282 H CB 2.327 32.065 29.762 -0.040 0.000 1.793 282 H HN 0.385 nan 8.280 nan 0.000 0.551 283 T N 2.391 116.557 114.554 -0.647 0.000 2.886 283 T HA 0.361 4.709 4.350 -0.004 0.000 0.292 283 T C -0.464 173.948 174.700 -0.480 0.000 1.012 283 T CA -0.766 61.099 62.100 -0.392 0.000 0.982 283 T CB 1.203 69.898 68.868 -0.288 0.000 1.018 283 T HN 0.719 nan 8.240 nan 0.000 0.451 284 S N 2.072 117.696 115.700 -0.126 0.000 2.655 284 S HA 0.787 5.255 4.470 -0.004 0.000 0.265 284 S C 0.674 175.250 174.600 -0.039 0.000 1.240 284 S CA -0.713 57.495 58.200 0.013 0.000 0.986 284 S CB 0.562 63.849 63.200 0.145 0.000 0.985 284 S HN 1.000 nan 8.310 nan 0.000 0.562 285 A N 0.385 123.205 122.820 0.000 0.000 2.327 285 A HA 0.357 4.674 4.320 -0.004 0.000 0.255 285 A C 0.435 178.020 177.584 0.003 0.000 1.099 285 A CA -0.482 51.554 52.037 -0.001 0.000 0.801 285 A CB -0.402 18.615 19.000 0.029 0.000 1.062 285 A HN 0.891 nan 8.150 nan 0.000 0.496 286 E N -0.571 119.626 120.200 -0.005 0.000 2.390 286 E HA 0.100 4.448 4.350 -0.004 0.000 0.261 286 E C 0.766 177.393 176.600 0.045 0.000 1.076 286 E CA -0.480 55.910 56.400 -0.017 0.000 0.905 286 E CB 0.568 30.260 29.700 -0.014 0.000 0.984 286 E HN 0.579 nan 8.360 nan 0.000 0.427 287 L N 2.936 124.191 121.223 0.053 0.000 2.263 287 L HA -0.242 4.095 4.340 -0.004 0.000 0.216 287 L C 2.030 178.971 176.870 0.118 0.000 1.111 287 L CA 2.130 57.045 54.840 0.125 0.000 0.773 287 L CB -0.611 41.522 42.059 0.123 0.000 0.906 287 L HN 0.598 nan 8.230 nan 0.000 0.439 288 S N -1.848 113.909 115.700 0.095 0.000 2.368 288 S HA -0.140 4.327 4.470 -0.004 0.000 0.224 288 S C 1.820 176.493 174.600 0.122 0.000 1.029 288 S CA 0.776 59.042 58.200 0.108 0.000 0.988 288 S CB -0.481 62.779 63.200 0.100 0.000 0.838 288 S HN 0.436 nan 8.310 nan 0.000 0.462 289 E N 1.900 122.167 120.200 0.112 0.000 2.023 289 E HA 0.025 4.373 4.350 -0.004 0.000 0.196 289 E C 1.918 178.617 176.600 0.166 0.000 1.003 289 E CA 1.274 57.752 56.400 0.129 0.000 0.809 289 E CB -0.719 29.043 29.700 0.103 0.000 0.755 289 E HN 0.633 nan 8.360 nan 0.000 0.449 290 I N 0.544 121.201 120.570 0.145 0.000 2.700 290 I HA -0.208 3.959 4.170 -0.004 0.000 0.261 290 I C 1.900 178.173 176.117 0.261 0.000 1.219 290 I CA 0.513 61.899 61.300 0.143 0.000 1.463 290 I CB -0.101 37.940 38.000 0.068 0.000 1.092 290 I HN 0.106 nan 8.210 nan 0.000 0.452 291 L N -0.298 121.081 121.223 0.259 0.000 2.395 291 L HA -0.098 4.240 4.340 -0.004 0.000 0.218 291 L C 2.319 179.339 176.870 0.250 0.000 1.130 291 L CA 0.594 55.632 54.840 0.329 0.000 0.826 291 L CB -0.097 42.101 42.059 0.231 0.000 0.941 291 L HN 0.128 nan 8.230 nan 0.000 0.451 292 V N 0.948 120.997 119.914 0.225 0.000 2.239 292 V HA -0.117 4.000 4.120 -0.004 0.000 0.242 292 V C -0.149 176.045 176.094 0.167 0.000 1.038 292 V CA 1.688 64.086 62.300 0.163 0.000 1.002 292 V CB -1.675 30.265 31.823 0.196 0.000 0.641 292 V HN 0.314 nan 8.190 nan 0.000 0.449 293 P HA -0.247 nan 4.420 nan 0.000 0.215 293 P C 1.832 179.389 177.300 0.429 0.000 1.157 293 P CA 1.817 65.217 63.100 0.500 0.000 0.868 293 P CB -0.250 31.963 31.700 0.855 0.000 0.788 294 F N 0.287 120.459 119.950 0.370 0.000 2.032 294 F HA -0.285 4.240 4.527 -0.004 0.000 0.297 294 F C 2.198 178.048 175.800 0.085 0.000 1.125 294 F CA 1.871 60.047 58.000 0.293 0.000 1.202 294 F CB -0.363 38.858 39.000 0.368 0.000 0.958 294 F HN -0.237 nan 8.300 nan 0.000 0.491 295 M N -0.046 119.358 119.600 -0.328 0.000 2.334 295 M HA -0.069 4.409 4.480 -0.004 0.000 0.266 295 M C 1.863 177.923 176.300 -0.400 0.000 1.082 295 M CA 1.161 56.137 55.300 -0.539 0.000 1.141 295 M CB -0.812 31.512 32.600 -0.460 0.000 1.380 295 M HN 0.121 nan 8.290 nan 0.000 0.440 296 K N -0.220 119.919 120.400 -0.436 0.000 2.103 296 K HA -0.028 4.289 4.320 -0.004 0.000 0.204 296 K C 1.403 177.614 176.600 -0.647 0.000 1.052 296 K CA 1.224 57.126 56.287 -0.643 0.000 0.945 296 K CB -0.132 31.766 32.500 -1.004 0.000 0.722 296 K HN 0.276 nan 8.250 nan 0.000 0.443 297 F N 0.460 120.309 119.950 -0.167 0.000 2.678 297 F HA 0.234 4.759 4.527 -0.004 0.000 0.305 297 F C 0.709 176.435 175.800 -0.124 0.000 1.090 297 F CA -0.628 57.281 58.000 -0.152 0.000 1.272 297 F CB 0.014 38.919 39.000 -0.158 0.000 1.060 297 F HN -0.230 nan 8.300 nan 0.000 0.576 298 S N 1.294 116.965 115.700 -0.048 0.000 3.711 298 S HA -0.303 4.164 4.470 -0.004 0.000 0.374 298 S C 0.247 174.869 174.600 0.037 0.000 0.969 298 S CA 0.135 58.290 58.200 -0.075 0.000 1.198 298 S CB -1.910 61.244 63.200 -0.075 0.000 0.903 298 S HN 0.637 nan 8.310 nan 0.000 0.493 299 N N 0.911 119.679 118.700 0.113 0.000 2.416 299 N HA 0.180 4.918 4.740 -0.004 0.000 0.265 299 N C 1.155 176.820 175.510 0.257 0.000 1.195 299 N CA -0.424 52.696 53.050 0.116 0.000 0.943 299 N CB 0.344 38.740 38.487 -0.152 0.000 1.115 299 N HN 0.325 nan 8.380 nan 0.000 0.481 300 N N 2.825 121.637 118.700 0.187 0.000 2.080 300 N HA -0.081 4.657 4.740 -0.004 0.000 0.189 300 N C 1.857 177.537 175.510 0.284 0.000 1.036 300 N CA 1.195 54.384 53.050 0.230 0.000 0.846 300 N CB -0.658 37.914 38.487 0.143 0.000 1.015 300 N HN 0.698 nan 8.380 nan 0.000 0.423 301 G N 0.671 109.616 108.800 0.242 0.000 2.505 301 G HA2 -0.302 3.655 3.960 -0.004 0.000 0.220 301 G HA3 -0.302 3.655 3.960 -0.004 0.000 0.220 301 G C 1.282 176.346 174.900 0.273 0.000 1.145 301 G CA 1.144 46.407 45.100 0.271 0.000 0.761 301 G HN 0.498 nan 8.290 nan 0.000 0.571 302 H N 0.495 119.617 119.070 0.087 0.000 2.290 302 H HA -0.071 4.483 4.556 -0.004 0.000 0.298 302 H C 3.059 178.187 175.328 -0.333 0.000 1.087 302 H CA 0.686 56.632 56.048 -0.171 0.000 1.291 302 H CB 0.015 29.628 29.762 -0.248 0.000 1.369 302 H HN 0.453 nan 8.280 nan 0.000 0.492 303 A N 1.441 124.269 122.820 0.012 0.000 1.865 303 A HA -0.216 4.101 4.320 -0.004 0.000 0.217 303 A C 2.222 179.902 177.584 0.160 0.000 1.191 303 A CA 1.801 53.918 52.037 0.135 0.000 0.623 303 A CB -0.244 19.041 19.000 0.475 0.000 0.826 303 A HN 0.348 nan 8.150 nan 0.000 0.444 304 E N -0.133 120.225 120.200 0.264 0.000 2.031 304 E HA -0.194 4.154 4.350 -0.004 0.000 0.193 304 E C 2.104 178.702 176.600 -0.005 0.000 0.994 304 E CA 1.470 58.047 56.400 0.295 0.000 0.800 304 E CB -0.630 29.383 29.700 0.521 0.000 0.752 304 E HN 0.726 nan 8.360 nan 0.000 0.447 305 M N 0.270 119.877 119.600 0.012 0.000 2.202 305 M HA -0.140 4.338 4.480 -0.004 0.000 0.262 305 M C 2.311 178.568 176.300 -0.072 0.000 1.063 305 M CA 1.156 56.450 55.300 -0.010 0.000 1.097 305 M CB -0.311 32.346 32.600 0.096 0.000 1.382 305 M HN 0.043 nan 8.290 nan 0.000 0.413 306 L N -1.077 120.086 121.223 -0.100 0.000 2.291 306 L HA -0.114 4.224 4.340 -0.004 0.000 0.214 306 L C 2.307 179.142 176.870 -0.058 0.000 1.120 306 L CA 0.266 55.065 54.840 -0.068 0.000 0.799 306 L CB -0.367 41.618 42.059 -0.123 0.000 0.925 306 L HN 0.113 nan 8.230 nan 0.000 0.446 307 V N 0.049 119.908 119.914 -0.092 0.000 2.283 307 V HA -0.223 3.894 4.120 -0.004 0.000 0.243 307 V C 2.400 178.344 176.094 -0.251 0.000 1.039 307 V CA 1.629 63.877 62.300 -0.086 0.000 1.016 307 V CB -0.179 31.672 31.823 0.047 0.000 0.650 307 V HN 0.405 nan 8.190 nan 0.000 0.449 308 K N -0.327 119.736 120.400 -0.561 0.000 2.147 308 K HA -0.122 4.196 4.320 -0.004 0.000 0.205 308 K C 2.333 178.585 176.600 -0.580 0.000 1.049 308 K CA 1.523 57.267 56.287 -0.905 0.000 0.936 308 K CB -0.275 31.086 32.500 -1.899 0.000 0.722 308 K HN 0.346 nan 8.250 nan 0.000 0.446 309 S N 1.484 117.057 115.700 -0.211 0.000 2.368 309 S HA -0.079 4.389 4.470 -0.004 0.000 0.225 309 S C 1.958 176.592 174.600 0.057 0.000 1.030 309 S CA 0.945 59.274 58.200 0.215 0.000 0.999 309 S CB -0.161 63.266 63.200 0.378 0.000 0.844 309 S HN 0.214 nan 8.310 nan 0.000 0.459 310 I N 1.228 121.780 120.570 -0.030 0.000 2.226 310 I HA -0.163 4.005 4.170 -0.004 0.000 0.245 310 I C 2.603 178.681 176.117 -0.064 0.000 1.100 310 I CA 1.186 62.460 61.300 -0.043 0.000 1.374 310 I CB -0.710 37.272 38.000 -0.031 0.000 1.057 310 I HN 0.376 nan 8.210 nan 0.000 0.413 311 G N -0.379 108.353 108.800 -0.113 0.000 2.432 311 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.219 311 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.219 311 G C 1.602 176.417 174.900 -0.143 0.000 1.135 311 G CA 0.231 45.253 45.100 -0.130 0.000 0.767 311 G HN 0.280 nan 8.290 nan 0.000 0.550 312 Q N -0.038 119.666 119.800 -0.160 0.000 2.083 312 Q HA -0.063 4.275 4.340 -0.004 0.000 0.198 312 Q C 2.460 178.404 176.000 -0.093 0.000 0.969 312 Q CA 1.413 57.086 55.803 -0.216 0.000 0.838 312 Q CB -0.181 28.352 28.738 -0.343 0.000 0.900 312 Q HN 0.525 nan 8.270 nan 0.000 0.436 313 E N 0.168 120.353 120.200 -0.024 0.000 2.051 313 E HA -0.123 4.225 4.350 -0.004 0.000 0.192 313 E C 1.843 178.435 176.600 -0.013 0.000 0.991 313 E CA 2.147 58.549 56.400 0.004 0.000 0.799 313 E CB -0.156 29.537 29.700 -0.012 0.000 0.748 313 E HN 0.430 nan 8.360 nan 0.000 0.449 314 T N -2.971 111.566 114.554 -0.029 0.000 3.043 314 T HA 0.281 4.629 4.350 -0.004 0.000 0.263 314 T C 1.374 176.056 174.700 -0.031 0.000 1.094 314 T CA 0.744 62.830 62.100 -0.023 0.000 1.127 314 T CB 0.331 69.186 68.868 -0.021 0.000 0.905 314 T HN 0.164 nan 8.240 nan 0.000 0.490 315 A N -0.216 122.573 122.820 -0.052 0.000 2.701 315 A HA 0.695 5.013 4.320 -0.004 0.000 0.241 315 A C 1.589 179.123 177.584 -0.082 0.000 1.231 315 A CA 0.371 52.372 52.037 -0.059 0.000 1.003 315 A CB -0.232 18.733 19.000 -0.058 0.000 1.281 315 A HN 1.224 nan 8.150 nan 0.000 0.600 316 G N -0.805 107.928 108.800 -0.111 0.000 2.179 316 G HA2 0.166 4.124 3.960 -0.004 0.000 0.257 316 G HA3 0.166 4.124 3.960 -0.004 0.000 0.257 316 G C 0.299 175.078 174.900 -0.202 0.000 1.010 316 G CA 0.495 45.501 45.100 -0.157 0.000 0.736 316 G HN 1.982 nan 8.290 nan 0.000 0.513 317 A N -0.270 122.429 122.820 -0.202 0.000 2.411 317 A HA 0.773 5.091 4.320 -0.004 0.000 0.285 317 A C 0.471 177.917 177.584 -0.230 0.000 1.129 317 A CA 0.482 52.402 52.037 -0.195 0.000 0.736 317 A CB 1.174 20.095 19.000 -0.132 0.000 1.186 317 A HN 1.708 nan 8.150 nan 0.000 0.445 318 G N 2.415 111.063 108.800 -0.254 0.000 2.821 318 G HA2 0.484 4.442 3.960 -0.004 0.000 0.289 318 G HA3 0.484 4.442 3.960 -0.004 0.000 0.289 318 G C -0.086 174.600 174.900 -0.357 0.000 0.771 318 G CA 0.300 45.234 45.100 -0.277 0.000 1.908 318 G HN 0.707 nan 8.290 nan 0.000 0.539 319 T N 0.416 114.747 114.554 -0.371 0.000 2.894 319 T HA 0.227 4.575 4.350 -0.004 0.000 0.309 319 T C 0.262 174.803 174.700 -0.265 0.000 1.208 319 T CA -0.771 61.151 62.100 -0.295 0.000 1.016 319 T CB 1.657 70.442 68.868 -0.138 0.000 1.192 319 T HN 0.363 nan 8.240 nan 0.000 0.491 320 W N 1.094 122.295 121.300 -0.165 0.000 2.418 320 W HA -0.040 4.619 4.660 -0.002 0.000 0.292 320 W C 1.452 177.908 176.519 -0.105 0.000 1.213 320 W CA 0.996 58.257 57.345 -0.139 0.000 1.283 320 W CB -0.426 28.951 29.460 -0.138 0.000 1.119 320 W HN 0.753 nan 8.180 nan 0.000 0.542 321 D N -0.074 120.399 120.400 0.121 0.000 2.123 321 D HA -0.137 4.501 4.640 -0.004 0.000 0.196 321 D C 2.218 178.530 176.300 0.021 0.000 0.992 321 D CA 2.069 56.102 54.000 0.055 0.000 0.833 321 D CB -0.513 40.302 40.800 0.024 0.000 0.954 321 D HN 0.028 nan 8.370 nan 0.000 0.455 322 A N -0.095 122.718 122.820 -0.012 0.000 1.984 322 A HA 0.223 4.541 4.320 -0.004 0.000 0.214 322 A C 2.244 179.807 177.584 -0.034 0.000 1.173 322 A CA 1.383 53.399 52.037 -0.035 0.000 0.673 322 A CB -0.443 18.517 19.000 -0.067 0.000 0.830 322 A HN 0.279 nan 8.150 nan 0.000 0.453 323 G N -0.678 108.097 108.800 -0.042 0.000 2.494 323 G HA2 0.086 4.043 3.960 -0.004 0.000 0.216 323 G HA3 0.086 4.043 3.960 -0.004 0.000 0.216 323 G C 1.268 176.178 174.900 0.017 0.000 1.140 323 G CA 0.581 45.656 45.100 -0.041 0.000 0.801 323 G HN 0.292 nan 8.290 nan 0.000 0.536 324 L N 0.787 122.041 121.223 0.052 0.000 2.141 324 L HA 0.072 4.409 4.340 -0.004 0.000 0.209 324 L C 2.964 179.852 176.870 0.030 0.000 1.094 324 L CA 0.836 55.712 54.840 0.060 0.000 0.763 324 L CB -0.628 41.474 42.059 0.072 0.000 0.908 324 L HN 0.095 nan 8.230 nan 0.000 0.437 325 V N -0.592 119.332 119.914 0.016 0.000 2.453 325 V HA -0.141 3.977 4.120 -0.004 0.000 0.247 325 V C 2.545 178.645 176.094 0.010 0.000 1.048 325 V CA 1.529 63.833 62.300 0.007 0.000 1.049 325 V CB -1.095 30.727 31.823 -0.001 0.000 0.672 325 V HN 0.545 nan 8.190 nan 0.000 0.457 326 G N -0.177 108.626 108.800 0.006 0.000 2.440 326 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.218 326 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.218 326 G C 1.691 176.608 174.900 0.027 0.000 1.154 326 G CA 1.341 46.446 45.100 0.008 0.000 0.767 326 G HN 0.377 nan 8.290 nan 0.000 0.552 327 V N 0.373 120.312 119.914 0.041 0.000 2.307 327 V HA -0.130 3.988 4.120 -0.004 0.000 0.245 327 V C 2.725 178.860 176.094 0.068 0.000 1.045 327 V CA 1.999 64.340 62.300 0.068 0.000 1.024 327 V CB -0.238 31.641 31.823 0.094 0.000 0.651 327 V HN 0.382 nan 8.190 nan 0.000 0.449 328 E N -0.282 119.943 120.200 0.042 0.000 2.110 328 E HA -0.215 4.133 4.350 -0.004 0.000 0.193 328 E C 2.287 178.908 176.600 0.034 0.000 0.988 328 E CA 1.130 57.547 56.400 0.028 0.000 0.804 328 E CB 0.023 29.726 29.700 0.005 0.000 0.745 328 E HN 0.606 nan 8.360 nan 0.000 0.458 329 E N 0.061 120.280 120.200 0.030 0.000 2.028 329 E HA -0.140 4.208 4.350 -0.004 0.000 0.191 329 E C 2.032 178.657 176.600 0.043 0.000 0.988 329 E CA 0.860 57.278 56.400 0.029 0.000 0.799 329 E CB -0.179 29.533 29.700 0.020 0.000 0.755 329 E HN 0.214 nan 8.360 nan 0.000 0.447 330 A N 1.429 124.279 122.820 0.051 0.000 1.917 330 A HA -0.190 4.128 4.320 -0.004 0.000 0.219 330 A C 2.350 179.986 177.584 0.086 0.000 1.182 330 A CA 1.258 53.337 52.037 0.068 0.000 0.633 330 A CB -0.787 18.254 19.000 0.069 0.000 0.819 330 A HN 0.152 nan 8.150 nan 0.000 0.448 331 L N -0.676 120.605 121.223 0.096 0.000 2.017 331 L HA -0.185 4.152 4.340 -0.004 0.000 0.208 331 L C 2.926 179.846 176.870 0.083 0.000 1.073 331 L CA 1.571 56.481 54.840 0.116 0.000 0.745 331 L CB -0.542 41.613 42.059 0.159 0.000 0.894 331 L HN 0.331 nan 8.230 nan 0.000 0.432 332 S N 0.085 115.821 115.700 0.061 0.000 2.365 332 S HA -0.188 4.280 4.470 -0.004 0.000 0.225 332 S C 1.961 176.584 174.600 0.037 0.000 1.039 332 S CA 1.413 59.638 58.200 0.042 0.000 1.033 332 S CB -0.801 62.417 63.200 0.030 0.000 0.887 332 S HN 0.633 nan 8.310 nan 0.000 0.447 333 G N 0.435 109.259 108.800 0.041 0.000 2.527 333 G HA2 -0.113 3.845 3.960 -0.004 0.000 0.219 333 G HA3 -0.113 3.845 3.960 -0.004 0.000 0.219 333 G C 1.182 176.101 174.900 0.032 0.000 1.117 333 G CA 0.452 45.573 45.100 0.035 0.000 0.759 333 G HN 0.401 nan 8.290 nan 0.000 0.556 334 L N -0.523 120.724 121.223 0.040 0.000 2.463 334 L HA 0.424 4.761 4.340 -0.004 0.000 0.219 334 L C 1.944 178.815 176.870 0.001 0.000 1.088 334 L CA 1.452 56.306 54.840 0.025 0.000 0.849 334 L CB 0.261 42.354 42.059 0.056 0.000 1.012 334 L HN 0.330 nan 8.230 nan 0.000 0.468 335 G N -1.471 107.337 108.800 0.015 0.000 2.205 335 G HA2 -0.178 3.780 3.960 -0.004 0.000 0.180 335 G HA3 -0.178 3.780 3.960 -0.004 0.000 0.180 335 G C 0.081 174.996 174.900 0.024 0.000 1.004 335 G CA -0.017 45.089 45.100 0.010 0.000 0.670 335 G HN 0.078 nan 8.290 nan 0.000 0.496 336 V N 2.139 122.079 119.914 0.043 0.000 2.508 336 V HA 0.387 4.505 4.120 -0.004 0.000 0.281 336 V C 0.526 176.654 176.094 0.058 0.000 1.041 336 V CA 0.031 62.371 62.300 0.067 0.000 1.016 336 V CB 1.483 33.376 31.823 0.116 0.000 0.984 336 V HN 0.401 nan 8.190 nan 0.000 0.478 337 D N 4.089 124.520 120.400 0.051 0.000 2.338 337 D HA 0.062 4.700 4.640 -0.004 0.000 0.255 337 D C 1.161 177.482 176.300 0.034 0.000 1.237 337 D CA 0.121 54.143 54.000 0.037 0.000 0.883 337 D CB 1.297 42.115 40.800 0.029 0.000 1.087 337 D HN 0.716 nan 8.370 nan 0.000 0.485 338 T N 1.006 115.571 114.554 0.017 0.000 3.163 338 T HA 0.348 4.696 4.350 -0.004 0.000 0.252 338 T C 1.682 176.365 174.700 -0.028 0.000 1.056 338 T CA 0.168 62.261 62.100 -0.011 0.000 0.947 338 T CB 0.230 69.087 68.868 -0.018 0.000 1.016 338 T HN 0.278 nan 8.240 nan 0.000 0.554 339 A N 2.066 124.879 122.820 -0.013 0.000 1.892 339 A HA 0.103 4.421 4.320 -0.004 0.000 0.218 339 A C 2.590 180.159 177.584 -0.024 0.000 1.188 339 A CA 1.816 53.844 52.037 -0.015 0.000 0.631 339 A CB -1.607 17.390 19.000 -0.005 0.000 0.822 339 A HN 0.641 nan 8.150 nan 0.000 0.447 340 G N -1.072 107.714 108.800 -0.023 0.000 2.470 340 G HA2 0.079 4.036 3.960 -0.004 0.000 0.220 340 G HA3 0.079 4.036 3.960 -0.004 0.000 0.220 340 G C 0.689 175.551 174.900 -0.064 0.000 1.121 340 G CA 0.202 45.284 45.100 -0.030 0.000 0.766 340 G HN 0.425 nan 8.290 nan 0.000 0.553 341 L N 1.208 122.371 121.223 -0.100 0.000 2.380 341 L HA 0.349 4.687 4.340 -0.004 0.000 0.273 341 L C -0.506 176.295 176.870 -0.115 0.000 1.138 341 L CA -0.435 54.307 54.840 -0.163 0.000 0.832 341 L CB 1.757 43.668 42.059 -0.246 0.000 1.124 341 L HN -0.160 nan 8.230 nan 0.000 0.454 342 V N 5.678 125.524 119.914 -0.113 0.000 2.487 342 V HA 0.378 4.496 4.120 -0.004 0.000 0.298 342 V C -0.098 175.942 176.094 -0.090 0.000 1.028 342 V CA -0.486 61.766 62.300 -0.080 0.000 0.860 342 V CB 1.990 33.781 31.823 -0.054 0.000 0.991 342 V HN 0.510 nan 8.190 nan 0.000 0.427 343 L N 4.205 125.384 121.223 -0.073 0.000 2.295 343 L HA 0.497 4.835 4.340 -0.004 0.000 0.281 343 L C 0.596 177.440 176.870 -0.043 0.000 1.018 343 L CA -0.161 54.645 54.840 -0.058 0.000 0.841 343 L CB 1.242 43.274 42.059 -0.045 0.000 1.218 343 L HN 0.660 nan 8.230 nan 0.000 0.424 344 N N 1.197 119.868 118.700 -0.047 0.000 2.181 344 N HA 0.045 4.782 4.740 -0.004 0.000 0.207 344 N C -0.789 174.626 175.510 -0.159 0.000 1.182 344 N CA 0.030 53.026 53.050 -0.090 0.000 0.893 344 N CB 0.697 39.133 38.487 -0.084 0.000 1.032 344 N HN 0.766 nan 8.380 nan 0.000 0.513 345 D N -3.705 116.658 120.400 -0.062 0.000 2.769 345 D HA 0.226 4.864 4.640 -0.004 0.000 0.309 345 D C 0.482 176.869 176.300 0.146 0.000 1.315 345 D CA -0.464 53.518 54.000 -0.029 0.000 0.780 345 D CB 0.223 40.992 40.800 -0.052 0.000 1.312 345 D HN -0.123 nan 8.370 nan 0.000 0.437 346 G N -1.204 107.753 108.800 0.262 0.000 2.796 346 G HA2 0.093 4.051 3.960 -0.004 0.000 0.210 346 G HA3 0.093 4.051 3.960 -0.004 0.000 0.210 346 G C 1.034 176.106 174.900 0.287 0.000 1.146 346 G CA 0.801 46.065 45.100 0.273 0.000 0.779 346 G HN 0.625 nan 8.290 nan 0.000 0.535 347 S N -1.072 114.801 115.700 0.288 0.000 2.470 347 S HA 0.376 4.843 4.470 -0.004 0.000 0.222 347 S C 1.923 176.610 174.600 0.144 0.000 1.024 347 S CA 1.178 59.527 58.200 0.248 0.000 0.931 347 S CB 0.179 63.534 63.200 0.258 0.000 0.791 347 S HN 1.372 nan 8.310 nan 0.000 0.513 348 G N 1.181 110.058 108.800 0.128 0.000 2.195 348 G HA2 -0.240 3.717 3.960 -0.004 0.000 0.224 348 G HA3 -0.240 3.717 3.960 -0.004 0.000 0.224 348 G C 0.602 175.493 174.900 -0.015 0.000 0.990 348 G CA 0.256 45.389 45.100 0.054 0.000 0.639 348 G HN 0.450 nan 8.290 nan 0.000 0.514 349 L N 1.161 122.360 121.223 -0.039 0.000 2.043 349 L HA 0.042 4.380 4.340 -0.004 0.000 0.212 349 L C 1.943 178.736 176.870 -0.128 0.000 1.075 349 L CA 1.873 56.583 54.840 -0.216 0.000 0.752 349 L CB -0.324 41.406 42.059 -0.548 0.000 0.891 349 L HN 0.481 nan 8.230 nan 0.000 0.432 350 S N -0.236 115.536 115.700 0.121 0.000 2.528 350 S HA 0.081 4.549 4.470 -0.004 0.000 0.277 350 S C 1.004 175.626 174.600 0.037 0.000 1.297 350 S CA -0.512 57.794 58.200 0.176 0.000 1.052 350 S CB 0.721 64.043 63.200 0.204 0.000 0.917 350 S HN 0.266 nan 8.310 nan 0.000 0.492 351 R N 3.331 123.843 120.500 0.021 0.000 2.346 351 R HA 0.094 4.432 4.340 -0.004 0.000 0.225 351 R C 1.330 177.648 176.300 0.030 0.000 0.987 351 R CA 0.475 56.580 56.100 0.008 0.000 1.106 351 R CB -0.238 30.078 30.300 0.027 0.000 1.090 351 R HN 0.724 nan 8.270 nan 0.000 0.502 352 G N 0.047 108.863 108.800 0.026 0.000 3.502 352 G HA2 0.020 3.978 3.960 -0.004 0.000 0.267 352 G HA3 0.020 3.978 3.960 -0.004 0.000 0.267 352 G C -0.041 174.852 174.900 -0.011 0.000 1.090 352 G CA -0.338 44.767 45.100 0.007 0.000 0.795 352 G HN 0.086 nan 8.290 nan 0.000 0.535 353 N N 0.683 119.378 118.700 -0.008 0.000 2.430 353 N HA 0.605 5.343 4.740 -0.004 0.000 0.292 353 N C -0.892 174.604 175.510 -0.024 0.000 1.051 353 N CA -0.107 52.931 53.050 -0.020 0.000 0.917 353 N CB 2.167 40.653 38.487 -0.003 0.000 1.164 353 N HN -0.011 nan 8.380 nan 0.000 0.484 354 L N 1.434 122.630 121.223 -0.045 0.000 2.436 354 L HA 0.590 4.927 4.340 -0.004 0.000 0.268 354 L C -0.153 176.672 176.870 -0.074 0.000 0.974 354 L CA -1.046 53.770 54.840 -0.041 0.000 0.826 354 L CB 1.991 44.030 42.059 -0.034 0.000 1.291 354 L HN 0.232 nan 8.230 nan 0.000 0.406 355 V N -0.748 119.141 119.914 -0.043 0.000 3.155 355 V HA 0.887 5.005 4.120 -0.004 0.000 0.313 355 V C -0.206 175.892 176.094 0.008 0.000 1.162 355 V CA -0.561 61.713 62.300 -0.044 0.000 1.048 355 V CB 2.031 33.869 31.823 0.025 0.000 1.092 355 V HN 0.825 nan 8.190 nan 0.000 0.447 356 T N -1.808 112.765 114.554 0.032 0.000 2.912 356 T HA 0.762 5.110 4.350 -0.004 0.000 0.288 356 T C 0.924 175.673 174.700 0.081 0.000 1.030 356 T CA -0.039 62.089 62.100 0.047 0.000 1.020 356 T CB 1.692 70.581 68.868 0.035 0.000 1.056 356 T HN 1.646 nan 8.240 nan 0.000 0.480 357 A N 1.244 124.107 122.820 0.072 0.000 1.969 357 A HA -0.020 4.297 4.320 -0.004 0.000 0.218 357 A C 1.986 179.616 177.584 0.077 0.000 1.169 357 A CA 1.434 53.518 52.037 0.077 0.000 0.635 357 A CB -0.939 18.105 19.000 0.074 0.000 0.810 357 A HN 0.944 nan 8.150 nan 0.000 0.445 358 D N -0.264 120.178 120.400 0.070 0.000 2.149 358 D HA -0.118 4.520 4.640 -0.004 0.000 0.198 358 D C 1.974 178.326 176.300 0.086 0.000 0.990 358 D CA 1.949 55.989 54.000 0.066 0.000 0.839 358 D CB -0.266 40.565 40.800 0.050 0.000 0.948 358 D HN 0.474 nan 8.370 nan 0.000 0.460 359 T N 0.606 115.230 114.554 0.117 0.000 2.737 359 T HA -0.097 4.251 4.350 -0.004 0.000 0.265 359 T C 2.357 177.217 174.700 0.266 0.000 1.038 359 T CA 0.807 63.019 62.100 0.185 0.000 1.144 359 T CB -0.549 68.426 68.868 0.177 0.000 0.866 359 T HN -0.033 nan 8.240 nan 0.000 0.434 360 V N 1.449 121.525 119.914 0.268 0.000 2.278 360 V HA -0.191 3.927 4.120 -0.004 0.000 0.251 360 V C 2.722 178.804 176.094 -0.020 0.000 1.062 360 V CA 1.578 63.937 62.300 0.098 0.000 1.038 360 V CB -0.905 30.941 31.823 0.038 0.000 0.646 360 V HN 0.317 nan 8.190 nan 0.000 0.447 361 V N 0.092 120.011 119.914 0.008 0.000 2.515 361 V HA -0.236 3.881 4.120 -0.004 0.000 0.250 361 V C 2.372 178.480 176.094 0.022 0.000 1.058 361 V CA 2.123 64.418 62.300 -0.008 0.000 1.064 361 V CB -0.625 31.209 31.823 0.018 0.000 0.675 361 V HN 0.616 nan 8.190 nan 0.000 0.461 362 D N 0.255 120.685 120.400 0.050 0.000 2.092 362 D HA -0.192 4.446 4.640 -0.004 0.000 0.193 362 D C 2.048 178.370 176.300 0.037 0.000 0.994 362 D CA 1.584 55.617 54.000 0.055 0.000 0.828 362 D CB -0.225 40.623 40.800 0.079 0.000 0.963 362 D HN 0.323 nan 8.370 nan 0.000 0.450 363 L N 0.414 121.657 121.223 0.035 0.000 2.079 363 L HA -0.112 4.225 4.340 -0.004 0.000 0.210 363 L C 2.311 179.151 176.870 -0.051 0.000 1.081 363 L CA 1.386 56.204 54.840 -0.037 0.000 0.752 363 L CB -0.550 41.410 42.059 -0.166 0.000 0.896 363 L HN 0.132 nan 8.230 nan 0.000 0.433 364 L N -0.915 120.305 121.223 -0.006 0.000 2.056 364 L HA -0.083 4.255 4.340 -0.004 0.000 0.207 364 L C 2.451 179.445 176.870 0.206 0.000 1.078 364 L CA 1.283 56.172 54.840 0.081 0.000 0.749 364 L CB -1.122 40.862 42.059 -0.125 0.000 0.901 364 L HN 0.458 nan 8.230 nan 0.000 0.433 365 G N -1.645 107.222 108.800 0.112 0.000 2.430 365 G HA2 -0.175 3.783 3.960 -0.004 0.000 0.216 365 G HA3 -0.175 3.783 3.960 -0.004 0.000 0.216 365 G C 1.505 176.413 174.900 0.012 0.000 1.146 365 G CA 0.014 45.173 45.100 0.097 0.000 0.793 365 G HN 0.199 nan 8.290 nan 0.000 0.537 366 Q N 0.773 120.556 119.800 -0.028 0.000 2.046 366 Q HA 0.053 4.390 4.340 -0.004 0.000 0.200 366 Q C 2.864 178.739 176.000 -0.209 0.000 0.975 366 Q CA 1.427 57.174 55.803 -0.093 0.000 0.836 366 Q CB -0.783 27.918 28.738 -0.063 0.000 0.896 366 Q HN 0.420 nan 8.270 nan 0.000 0.428 367 A N 0.359 123.020 122.820 -0.264 0.000 2.168 367 A HA 0.051 4.369 4.320 -0.004 0.000 0.215 367 A C 2.136 179.480 177.584 -0.400 0.000 1.152 367 A CA 1.252 52.973 52.037 -0.527 0.000 0.716 367 A CB -0.635 17.733 19.000 -1.054 0.000 0.794 367 A HN 0.414 nan 8.150 nan 0.000 0.465 368 G N 0.097 108.815 108.800 -0.136 0.000 2.394 368 G HA2 -0.096 3.862 3.960 -0.004 0.000 0.215 368 G HA3 -0.096 3.862 3.960 -0.004 0.000 0.215 368 G C 1.612 176.420 174.900 -0.154 0.000 1.165 368 G CA 1.354 46.413 45.100 -0.068 0.000 0.784 368 G HN 0.855 nan 8.290 nan 0.000 0.535 369 S N -0.179 115.406 115.700 -0.192 0.000 2.557 369 S HA 0.668 5.136 4.470 -0.004 0.000 0.223 369 S C 1.003 175.415 174.600 -0.313 0.000 0.969 369 S CA 0.275 58.355 58.200 -0.198 0.000 0.927 369 S CB 0.385 63.505 63.200 -0.134 0.000 0.806 369 S HN 0.534 nan 8.310 nan 0.000 0.489 370 A N 2.772 125.274 122.820 -0.530 0.000 2.366 370 A HA 0.545 4.863 4.320 -0.004 0.000 0.249 370 A C -1.056 176.088 177.584 -0.733 0.000 1.084 370 A CA -1.359 50.182 52.037 -0.826 0.000 0.794 370 A CB -0.178 17.824 19.000 -1.664 0.000 1.034 370 A HN 0.250 nan 8.150 nan 0.000 0.491 371 P HA -0.117 nan 4.420 nan 0.000 0.219 371 P C 0.761 177.918 177.300 -0.237 0.000 1.146 371 P CA 1.436 64.328 63.100 -0.346 0.000 0.808 371 P CB 0.012 31.594 31.700 -0.197 0.000 0.779 372 W N -2.596 118.707 121.300 0.005 0.000 3.223 372 W HA 0.649 5.307 4.660 -0.004 0.000 0.389 372 W C 1.097 177.667 176.519 0.086 0.000 1.118 372 W CA -0.038 57.335 57.345 0.048 0.000 1.902 372 W CB -1.145 28.354 29.460 0.065 0.000 1.094 372 W HN -0.128 nan 8.180 nan 0.000 0.666 373 A N 2.080 124.944 122.820 0.074 0.000 1.940 373 A HA -0.318 3.999 4.320 -0.004 0.000 0.221 373 A C 2.209 179.992 177.584 0.331 0.000 1.190 373 A CA 2.155 54.292 52.037 0.166 0.000 0.647 373 A CB -0.566 18.413 19.000 -0.034 0.000 0.821 373 A HN 0.271 nan 8.150 nan 0.000 0.457 374 Q N -1.120 118.812 119.800 0.220 0.000 2.187 374 Q HA -0.087 4.250 4.340 -0.004 0.000 0.199 374 Q C 2.273 178.391 176.000 0.198 0.000 0.957 374 Q CA 1.852 57.756 55.803 0.167 0.000 0.857 374 Q CB -1.275 27.524 28.738 0.101 0.000 0.929 374 Q HN 0.828 nan 8.270 nan 0.000 0.453 375 T N -0.356 114.351 114.554 0.255 0.000 2.904 375 T HA -0.120 4.228 4.350 -0.004 0.000 0.267 375 T C 1.405 176.267 174.700 0.271 0.000 1.059 375 T CA 0.877 63.116 62.100 0.231 0.000 1.137 375 T CB -0.224 68.775 68.868 0.218 0.000 0.879 375 T HN 0.526 nan 8.240 nan 0.000 0.467 376 W N 2.632 124.054 121.300 0.203 0.000 2.378 376 W HA -0.101 4.556 4.660 -0.004 0.000 0.313 376 W C 2.220 178.823 176.519 0.140 0.000 1.197 376 W CA 1.827 59.284 57.345 0.187 0.000 1.304 376 W CB -0.946 28.743 29.460 0.382 0.000 1.148 376 W HN 0.483 nan 8.180 nan 0.000 0.494 377 S N 1.394 117.173 115.700 0.131 0.000 2.447 377 S HA -0.035 4.433 4.470 -0.004 0.000 0.233 377 S C 2.039 176.610 174.600 -0.047 0.000 1.006 377 S CA 1.161 59.333 58.200 -0.047 0.000 0.957 377 S CB -0.908 62.307 63.200 0.027 0.000 0.773 377 S HN 0.302 nan 8.310 nan 0.000 0.507 378 A N 1.712 124.540 122.820 0.013 0.000 2.168 378 A HA 0.132 4.450 4.320 -0.004 0.000 0.215 378 A C 2.305 179.873 177.584 -0.028 0.000 1.152 378 A CA 1.193 53.235 52.037 0.009 0.000 0.716 378 A CB -0.655 18.375 19.000 0.050 0.000 0.794 378 A HN 0.732 nan 8.150 nan 0.000 0.465 379 S N -0.878 114.777 115.700 -0.075 0.000 2.503 379 S HA 0.281 4.749 4.470 -0.004 0.000 0.215 379 S C 0.529 175.001 174.600 -0.214 0.000 1.003 379 S CA -0.386 57.747 58.200 -0.112 0.000 0.910 379 S CB -0.498 62.655 63.200 -0.079 0.000 0.790 379 S HN 0.329 nan 8.310 nan 0.000 0.514 380 L N 2.873 123.942 121.223 -0.256 0.000 2.455 380 L HA 0.335 4.672 4.340 -0.004 0.000 0.272 380 L C -2.406 174.351 176.870 -0.188 0.000 1.174 380 L CA -2.002 52.677 54.840 -0.268 0.000 0.869 380 L CB -0.061 41.832 42.059 -0.276 0.000 1.130 380 L HN 0.064 nan 8.230 nan 0.000 0.474 381 P HA 0.017 nan 4.420 nan 0.000 0.266 381 P C -0.768 176.476 177.300 -0.095 0.000 1.195 381 P CA -0.073 62.932 63.100 -0.159 0.000 0.768 381 P CB 0.620 32.224 31.700 -0.161 0.000 0.838 382 V N 2.504 122.376 119.914 -0.069 0.000 2.483 382 V HA 0.511 4.629 4.120 -0.004 0.000 0.295 382 V C 0.521 176.596 176.094 -0.032 0.000 1.035 382 V CA -1.018 61.260 62.300 -0.036 0.000 0.896 382 V CB 1.251 33.060 31.823 -0.023 0.000 0.986 382 V HN 0.654 nan 8.190 nan 0.000 0.447 383 A N 3.480 126.285 122.820 -0.024 0.000 2.520 383 A HA 0.522 4.840 4.320 -0.004 0.000 0.245 383 A C 1.489 179.058 177.584 -0.025 0.000 1.072 383 A CA 0.695 52.716 52.037 -0.026 0.000 0.761 383 A CB -0.461 18.522 19.000 -0.029 0.000 1.004 383 A HN 2.212 nan 8.150 nan 0.000 0.499 384 G N 1.308 110.096 108.800 -0.021 0.000 2.179 384 G HA2 -0.192 3.766 3.960 -0.004 0.000 0.260 384 G HA3 -0.192 3.766 3.960 -0.004 0.000 0.260 384 G C 0.042 174.938 174.900 -0.006 0.000 0.977 384 G CA 0.345 45.436 45.100 -0.015 0.000 0.641 384 G HN 0.798 nan 8.290 nan 0.000 0.533 385 E N 1.534 121.731 120.200 -0.005 0.000 2.070 385 E HA 0.381 4.729 4.350 -0.004 0.000 0.282 385 E C 1.688 178.299 176.600 0.018 0.000 1.104 385 E CA 0.466 56.870 56.400 0.007 0.000 0.876 385 E CB 0.915 30.618 29.700 0.005 0.000 1.055 385 E HN 0.444 nan 8.360 nan 0.000 0.401 386 S N 2.188 117.902 115.700 0.024 0.000 2.381 386 S HA -0.242 4.225 4.470 -0.004 0.000 0.230 386 S C 0.957 175.591 174.600 0.057 0.000 1.052 386 S CA 1.118 59.338 58.200 0.034 0.000 1.068 386 S CB -0.222 62.996 63.200 0.030 0.000 0.918 386 S HN 0.558 nan 8.310 nan 0.000 0.448 387 D N 3.339 123.781 120.400 0.070 0.000 2.412 387 D HA 0.127 4.765 4.640 -0.004 0.000 0.257 387 D C -1.720 174.668 176.300 0.146 0.000 1.217 387 D CA -1.958 52.112 54.000 0.116 0.000 0.897 387 D CB 1.003 41.872 40.800 0.115 0.000 1.132 387 D HN 0.002 nan 8.370 nan 0.000 0.493 388 P HA -0.122 nan 4.420 nan 0.000 0.216 388 P C 0.897 178.286 177.300 0.149 0.000 1.150 388 P CA 1.024 64.263 63.100 0.232 0.000 0.843 388 P CB -0.015 31.849 31.700 0.272 0.000 0.787 389 F N -2.019 118.029 119.950 0.165 0.000 2.811 389 F HA -0.012 4.513 4.527 -0.003 0.000 0.301 389 F C 1.835 177.605 175.800 -0.051 0.000 1.151 389 F CA 0.487 58.510 58.000 0.038 0.000 1.412 389 F CB -0.422 38.648 39.000 0.118 0.000 1.113 389 F HN -0.220 nan 8.300 nan 0.000 0.579 390 V N -1.633 118.329 119.914 0.080 0.000 2.854 390 V HA 0.173 4.291 4.120 -0.004 0.000 0.236 390 V C 2.451 178.517 176.094 -0.046 0.000 1.157 390 V CA 1.195 63.504 62.300 0.016 0.000 1.187 390 V CB -0.917 30.930 31.823 0.040 0.000 0.949 390 V HN 0.229 nan 8.190 nan 0.000 0.488 391 G N -0.214 108.569 108.800 -0.029 0.000 2.448 391 G HA2 0.245 4.203 3.960 -0.004 0.000 0.218 391 G HA3 0.245 4.203 3.960 -0.004 0.000 0.218 391 G C 1.225 176.064 174.900 -0.101 0.000 1.135 391 G CA 1.148 46.221 45.100 -0.046 0.000 0.784 391 G HN 0.854 nan 8.290 nan 0.000 0.543 392 G N 0.148 108.843 108.800 -0.176 0.000 2.661 392 G HA2 -0.385 3.573 3.960 -0.004 0.000 0.327 392 G HA3 -0.385 3.573 3.960 -0.004 0.000 0.327 392 G C 1.408 176.272 174.900 -0.060 0.000 1.320 392 G CA 2.435 47.375 45.100 -0.267 0.000 0.997 392 G HN 1.262 nan 8.290 nan 0.000 0.543 393 T N -0.758 113.751 114.554 -0.076 0.000 3.215 393 T HA 0.444 4.792 4.350 -0.004 0.000 0.254 393 T C 1.693 176.369 174.700 -0.040 0.000 1.149 393 T CA 1.327 63.409 62.100 -0.029 0.000 1.042 393 T CB 0.001 68.842 68.868 -0.045 0.000 0.966 393 T HN 0.479 nan 8.240 nan 0.000 0.534 394 L N -0.477 120.717 121.223 -0.048 0.000 3.016 394 L HA 0.495 4.833 4.340 -0.004 0.000 0.267 394 L C 2.457 179.311 176.870 -0.027 0.000 1.182 394 L CA 0.087 54.903 54.840 -0.039 0.000 0.997 394 L CB -0.113 41.918 42.059 -0.046 0.000 1.354 394 L HN 0.329 nan 8.230 nan 0.000 0.569 395 A N 0.226 123.036 122.820 -0.016 0.000 1.972 395 A HA -0.117 4.200 4.320 -0.004 0.000 0.219 395 A C 1.554 179.136 177.584 -0.003 0.000 1.169 395 A CA 1.340 53.375 52.037 -0.003 0.000 0.635 395 A CB -0.211 18.800 19.000 0.018 0.000 0.810 395 A HN 0.418 nan 8.150 nan 0.000 0.446 396 N N -0.150 118.546 118.700 -0.006 0.000 2.279 396 N HA 0.140 4.878 4.740 -0.004 0.000 0.226 396 N C -0.525 174.975 175.510 -0.016 0.000 1.126 396 N CA 0.092 53.137 53.050 -0.009 0.000 0.846 396 N CB 0.443 38.925 38.487 -0.007 0.000 1.050 396 N HN 0.441 nan 8.380 nan 0.000 0.502 397 R N -0.090 120.398 120.500 -0.020 0.000 2.670 397 R HA 0.431 4.768 4.340 -0.004 0.000 0.289 397 R C 0.605 176.889 176.300 -0.028 0.000 0.965 397 R CA -0.513 55.572 56.100 -0.026 0.000 0.899 397 R CB 1.665 31.947 30.300 -0.030 0.000 1.173 397 R HN 0.021 nan 8.270 nan 0.000 0.456 398 M N -0.015 119.566 119.600 -0.032 0.000 2.899 398 M HA -0.269 4.209 4.480 -0.004 0.000 0.195 398 M C -0.402 175.880 176.300 -0.029 0.000 0.603 398 M CA 1.005 56.284 55.300 -0.036 0.000 0.712 398 M CB -1.282 31.291 32.600 -0.045 0.000 2.569 398 M HN 0.587 nan 8.290 nan 0.000 0.406 399 R N 0.730 121.217 120.500 -0.022 0.000 2.623 399 R HA 0.305 4.643 4.340 -0.004 0.000 0.271 399 R C 1.430 177.722 176.300 -0.014 0.000 1.043 399 R CA 1.101 57.192 56.100 -0.015 0.000 1.083 399 R CB 0.220 30.514 30.300 -0.010 0.000 0.974 399 R HN 0.476 nan 8.270 nan 0.000 0.436 400 G N 1.475 110.269 108.800 -0.010 0.000 2.225 400 G HA2 -0.310 3.647 3.960 -0.004 0.000 0.267 400 G HA3 -0.310 3.647 3.960 -0.004 0.000 0.267 400 G C 0.155 175.049 174.900 -0.010 0.000 1.024 400 G CA 0.872 45.967 45.100 -0.007 0.000 0.784 400 G HN 0.744 nan 8.290 nan 0.000 0.507 401 T N -4.573 109.971 114.554 -0.016 0.000 2.940 401 T HA 0.800 5.148 4.350 -0.004 0.000 0.288 401 T C 1.550 176.239 174.700 -0.019 0.000 1.045 401 T CA 0.278 62.366 62.100 -0.020 0.000 1.018 401 T CB 1.764 70.612 68.868 -0.033 0.000 1.151 401 T HN 1.371 nan 8.240 nan 0.000 0.529 402 A N 0.451 123.264 122.820 -0.011 0.000 2.084 402 A HA 0.160 4.478 4.320 -0.004 0.000 0.221 402 A C 2.310 179.854 177.584 -0.066 0.000 1.161 402 A CA 1.869 53.909 52.037 0.004 0.000 0.653 402 A CB -1.346 17.676 19.000 0.037 0.000 0.802 402 A HN 1.302 nan 8.150 nan 0.000 0.457 403 A N -0.728 122.042 122.820 -0.083 0.000 2.178 403 A HA 0.194 4.512 4.320 -0.004 0.000 0.211 403 A C 0.915 178.437 177.584 -0.102 0.000 1.157 403 A CA 0.404 52.369 52.037 -0.121 0.000 0.780 403 A CB -0.238 18.702 19.000 -0.100 0.000 0.828 403 A HN 0.615 nan 8.150 nan 0.000 0.476 404 E N -0.168 119.990 120.200 -0.069 0.000 2.417 404 E HA 0.329 4.677 4.350 -0.004 0.000 0.261 404 E C 1.175 177.746 176.600 -0.048 0.000 1.000 404 E CA 0.599 56.971 56.400 -0.046 0.000 0.919 404 E CB -0.048 29.637 29.700 -0.024 0.000 0.955 404 E HN 0.637 nan 8.360 nan 0.000 0.455 405 G N 2.670 111.448 108.800 -0.036 0.000 2.179 405 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.260 405 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.260 405 G C 0.635 175.513 174.900 -0.037 0.000 0.977 405 G CA 0.318 45.404 45.100 -0.024 0.000 0.641 405 G HN 0.512 nan 8.290 nan 0.000 0.533 406 V N -0.499 119.367 119.914 -0.081 0.000 2.996 406 V HA 0.275 4.392 4.120 -0.004 0.000 0.235 406 V C 1.411 177.470 176.094 -0.057 0.000 1.205 406 V CA 0.994 63.221 62.300 -0.122 0.000 1.225 406 V CB 1.026 32.612 31.823 -0.394 0.000 0.995 406 V HN 0.200 nan 8.190 nan 0.000 0.484 407 V N 2.324 122.213 119.914 -0.042 0.000 2.455 407 V HA 0.234 4.351 4.120 -0.004 0.000 0.273 407 V C -0.208 175.925 176.094 0.065 0.000 1.045 407 V CA -0.157 62.170 62.300 0.046 0.000 0.976 407 V CB 0.811 32.657 31.823 0.038 0.000 0.993 407 V HN 0.518 nan 8.190 nan 0.000 0.475 408 E N 4.156 124.425 120.200 0.114 0.000 2.113 408 E HA 0.738 5.086 4.350 -0.004 0.000 0.273 408 E C -0.359 176.255 176.600 0.022 0.000 0.924 408 E CA -0.326 56.113 56.400 0.064 0.000 0.764 408 E CB 1.841 31.604 29.700 0.105 0.000 1.104 408 E HN 0.797 nan 8.360 nan 0.000 0.406 409 A N 2.947 125.735 122.820 -0.054 0.000 2.594 409 A HA 0.585 4.903 4.320 -0.004 0.000 0.295 409 A C -1.271 176.209 177.584 -0.172 0.000 1.071 409 A CA -0.897 51.061 52.037 -0.132 0.000 0.685 409 A CB 1.647 20.657 19.000 0.016 0.000 1.285 409 A HN 0.378 nan 8.150 nan 0.000 0.405 410 K N 0.642 120.902 120.400 -0.233 0.000 2.130 410 K HA 0.701 5.018 4.320 -0.004 0.000 0.268 410 K C 0.568 177.079 176.600 -0.149 0.000 0.983 410 K CA 0.475 56.632 56.287 -0.216 0.000 0.893 410 K CB 1.092 33.433 32.500 -0.264 0.000 1.066 410 K HN 0.951 nan 8.250 nan 0.000 0.450 411 T N -0.705 113.773 114.554 -0.127 0.000 2.855 411 T HA 0.860 5.208 4.350 -0.004 0.000 0.275 411 T C 0.053 174.701 174.700 -0.086 0.000 1.022 411 T CA -0.567 61.479 62.100 -0.089 0.000 0.977 411 T CB 1.211 70.032 68.868 -0.078 0.000 1.559 411 T HN 0.732 nan 8.240 nan 0.000 0.600 412 G N -0.166 108.588 108.800 -0.076 0.000 2.026 412 G HA2 0.429 4.387 3.960 -0.004 0.000 0.208 412 G HA3 0.429 4.387 3.960 -0.004 0.000 0.208 412 G C -0.923 173.932 174.900 -0.075 0.000 1.640 412 G CA -0.679 44.373 45.100 -0.080 0.000 0.946 412 G HN 0.809 nan 8.290 nan 0.000 0.709 413 T N 2.988 117.480 114.554 -0.103 0.000 2.916 413 T HA 0.793 5.140 4.350 -0.004 0.000 0.298 413 T C 0.242 174.848 174.700 -0.157 0.000 1.031 413 T CA -0.473 61.571 62.100 -0.095 0.000 0.993 413 T CB 1.669 70.493 68.868 -0.073 0.000 1.045 413 T HN 0.597 nan 8.240 nan 0.000 0.454 414 M N 0.489 120.004 119.600 -0.141 0.000 2.846 414 M HA 0.465 4.943 4.480 -0.004 0.000 0.282 414 M C -0.101 176.115 176.300 -0.140 0.000 1.266 414 M CA -1.047 54.132 55.300 -0.201 0.000 0.766 414 M CB 1.940 34.395 32.600 -0.242 0.000 1.739 414 M HN 0.368 nan 8.290 nan 0.000 0.442 415 S N 1.015 116.620 115.700 -0.159 0.000 2.466 415 S HA 0.334 4.802 4.470 -0.004 0.000 0.286 415 S C 0.791 175.300 174.600 -0.152 0.000 1.221 415 S CA 1.003 59.136 58.200 -0.113 0.000 1.091 415 S CB -0.300 62.862 63.200 -0.063 0.000 0.956 415 S HN 1.012 nan 8.310 nan 0.000 0.501 416 G N 2.283 110.936 108.800 -0.246 0.000 2.175 416 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.244 416 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.244 416 G C -0.064 174.562 174.900 -0.456 0.000 0.982 416 G CA -0.029 44.784 45.100 -0.478 0.000 0.641 416 G HN 0.772 nan 8.290 nan 0.000 0.527 417 V N 0.137 119.958 119.914 -0.155 0.000 2.668 417 V HA 0.839 4.957 4.120 -0.004 0.000 0.304 417 V C -0.209 175.942 176.094 0.095 0.000 1.071 417 V CA 0.001 62.311 62.300 0.018 0.000 0.894 417 V CB 1.859 33.653 31.823 -0.048 0.000 1.008 417 V HN 0.801 nan 8.190 nan 0.000 0.425 418 S N 2.607 118.391 115.700 0.139 0.000 2.537 418 S HA 0.943 5.410 4.470 -0.004 0.000 0.270 418 S C -1.130 173.487 174.600 0.028 0.000 1.142 418 S CA 0.282 58.515 58.200 0.056 0.000 0.870 418 S CB 1.931 65.148 63.200 0.028 0.000 1.112 418 S HN 1.639 nan 8.310 nan 0.000 0.466 419 A N 2.226 125.047 122.820 0.001 0.000 2.574 419 A HA 0.833 5.151 4.320 -0.004 0.000 0.297 419 A C -2.061 175.519 177.584 -0.007 0.000 1.062 419 A CA -0.531 51.508 52.037 0.004 0.000 0.686 419 A CB 1.653 20.654 19.000 0.003 0.000 1.285 419 A HN 1.118 nan 8.150 nan 0.000 0.403 420 L N 1.025 122.260 121.223 0.019 0.000 2.470 420 L HA 0.835 5.173 4.340 -0.004 0.000 0.268 420 L C -0.912 175.953 176.870 -0.007 0.000 0.964 420 L CA 0.310 55.173 54.840 0.038 0.000 0.839 420 L CB 2.193 44.333 42.059 0.134 0.000 1.276 420 L HN 0.694 nan 8.230 nan 0.000 0.403 421 S N 2.722 118.264 115.700 -0.263 0.000 2.566 421 S HA 0.981 5.449 4.470 -0.004 0.000 0.273 421 S C -0.330 173.775 174.600 -0.826 0.000 1.157 421 S CA -0.099 57.707 58.200 -0.657 0.000 0.938 421 S CB 1.735 64.708 63.200 -0.378 0.000 1.087 421 S HN 1.183 nan 8.310 nan 0.000 0.474 422 G N 1.364 109.354 108.800 -1.349 0.000 2.441 422 G HA2 0.471 4.429 3.960 -0.004 0.000 0.225 422 G HA3 0.471 4.429 3.960 -0.004 0.000 0.225 422 G C -2.440 171.958 174.900 -0.836 0.000 1.200 422 G CA -0.513 44.026 45.100 -0.935 0.000 0.947 422 G HN 0.472 nan 8.290 nan 0.000 0.484 423 Y N -0.925 119.349 120.300 -0.044 0.000 2.509 423 Y HA 0.639 5.187 4.550 -0.003 0.000 0.341 423 Y C 0.040 176.084 175.900 0.240 0.000 1.038 423 Y CA -0.899 57.275 58.100 0.122 0.000 1.089 423 Y CB 2.699 41.208 38.460 0.082 0.000 1.241 423 Y HN 0.305 nan 8.280 nan 0.000 0.468 424 V N 3.314 123.467 119.914 0.399 0.000 2.327 424 V HA 0.336 4.453 4.120 -0.004 0.000 0.272 424 V C -2.689 173.536 176.094 0.218 0.000 1.019 424 V CA -1.864 60.586 62.300 0.250 0.000 0.814 424 V CB 0.849 32.788 31.823 0.193 0.000 1.040 424 V HN 0.521 nan 8.190 nan 0.000 0.440 425 P HA 0.542 nan 4.420 nan 0.000 0.287 425 P C 0.073 177.519 177.300 0.244 0.000 1.294 425 P CA 0.431 63.629 63.100 0.164 0.000 0.776 425 P CB 2.083 33.848 31.700 0.108 0.000 0.889 426 G N 3.444 112.360 108.800 0.193 0.000 2.727 426 G HA2 0.514 4.472 3.960 -0.004 0.000 0.289 426 G HA3 0.514 4.472 3.960 -0.004 0.000 0.289 426 G C -2.400 172.514 174.900 0.024 0.000 1.418 426 G CA -1.254 43.935 45.100 0.148 0.000 0.818 426 G HN 0.052 nan 8.290 nan 0.000 0.486 427 P HA -0.000 nan 4.420 nan 0.000 0.215 427 P C 1.075 178.343 177.300 -0.055 0.000 1.157 427 P CA 0.887 63.948 63.100 -0.065 0.000 0.863 427 P CB 0.289 31.924 31.700 -0.109 0.000 0.787 428 E N 0.184 120.336 120.200 -0.080 0.000 2.461 428 E HA 0.267 4.614 4.350 -0.004 0.000 0.196 428 E C 0.940 177.521 176.600 -0.032 0.000 1.129 428 E CA 0.468 56.810 56.400 -0.097 0.000 0.902 428 E CB -0.753 28.817 29.700 -0.216 0.000 0.963 428 E HN 0.232 nan 8.360 nan 0.000 0.503 429 G N 1.120 109.930 108.800 0.016 0.000 2.484 429 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.685 429 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.685 429 G C -1.148 173.811 174.900 0.099 0.000 1.294 429 G CA -0.939 44.197 45.100 0.059 0.000 0.879 429 G HN 0.043 nan 8.290 nan 0.000 0.646 430 E N 0.297 120.560 120.200 0.104 0.000 2.044 430 E HA 0.410 4.758 4.350 -0.004 0.000 0.282 430 E C -0.159 176.552 176.600 0.184 0.000 1.031 430 E CA -0.510 55.970 56.400 0.134 0.000 0.824 430 E CB 0.924 30.680 29.700 0.093 0.000 1.076 430 E HN 0.298 nan 8.360 nan 0.000 0.395 431 L N 2.238 123.597 121.223 0.227 0.000 2.399 431 L HA 0.430 4.768 4.340 -0.004 0.000 0.266 431 L C 0.040 177.092 176.870 0.303 0.000 1.114 431 L CA -0.220 54.769 54.840 0.249 0.000 0.804 431 L CB 1.521 43.728 42.059 0.246 0.000 1.146 431 L HN 0.480 nan 8.230 nan 0.000 0.451 432 A N 2.953 125.920 122.820 0.244 0.000 2.343 432 A HA 0.774 5.092 4.320 -0.004 0.000 0.308 432 A C -1.113 176.557 177.584 0.144 0.000 1.092 432 A CA -0.425 51.699 52.037 0.145 0.000 0.751 432 A CB 0.706 19.766 19.000 0.100 0.000 1.203 432 A HN 0.535 nan 8.150 nan 0.000 0.452 433 F N 0.703 120.622 119.950 -0.051 0.000 2.588 433 F HA 0.877 5.402 4.527 -0.004 0.000 0.314 433 F C -0.357 175.406 175.800 -0.060 0.000 1.069 433 F CA -0.922 57.055 58.000 -0.038 0.000 0.931 433 F CB 1.964 40.942 39.000 -0.037 0.000 1.260 433 F HN 0.473 nan 8.300 nan 0.000 0.465 434 S N 3.146 118.874 115.700 0.045 0.000 2.736 434 S HA 0.680 5.147 4.470 -0.004 0.000 0.285 434 S C -1.394 173.282 174.600 0.127 0.000 1.163 434 S CA -0.516 57.671 58.200 -0.022 0.000 1.025 434 S CB 0.545 63.713 63.200 -0.052 0.000 1.030 434 S HN 0.668 nan 8.310 nan 0.000 0.486 435 I N 4.866 125.528 120.570 0.153 0.000 2.328 435 I HA 0.451 4.618 4.170 -0.004 0.000 0.287 435 I C -0.765 175.392 176.117 0.067 0.000 1.012 435 I CA -0.752 60.618 61.300 0.116 0.000 1.195 435 I CB 1.699 39.770 38.000 0.119 0.000 1.350 435 I HN 0.310 nan 8.210 nan 0.000 0.464 436 V N 5.990 125.941 119.914 0.060 0.000 2.378 436 V HA 0.406 4.523 4.120 -0.004 0.000 0.288 436 V C -0.291 175.837 176.094 0.057 0.000 1.016 436 V CA -0.747 61.585 62.300 0.052 0.000 0.840 436 V CB 1.350 33.206 31.823 0.054 0.000 0.994 436 V HN 0.625 nan 8.190 nan 0.000 0.431 437 N N 4.251 122.989 118.700 0.063 0.000 2.408 437 N HA 0.459 5.196 4.740 -0.004 0.000 0.280 437 N C -0.889 174.717 175.510 0.161 0.000 1.002 437 N CA -0.302 52.806 53.050 0.096 0.000 0.907 437 N CB 1.934 40.444 38.487 0.039 0.000 1.161 437 N HN 0.697 nan 8.380 nan 0.000 0.488 438 N N 0.030 118.814 118.700 0.141 0.000 2.352 438 N HA 0.427 5.165 4.740 -0.004 0.000 0.291 438 N C 0.230 175.776 175.510 0.060 0.000 1.040 438 N CA -0.503 52.596 53.050 0.080 0.000 0.864 438 N CB 2.132 40.641 38.487 0.037 0.000 1.440 438 N HN 0.712 nan 8.380 nan 0.000 0.483 439 G N 1.275 110.034 108.800 -0.069 0.000 2.168 439 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.197 439 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.197 439 G C -0.130 174.729 174.900 -0.068 0.000 0.997 439 G CA -0.335 44.720 45.100 -0.074 0.000 0.658 439 G HN 0.812 nan 8.290 nan 0.000 0.513 440 H N -0.078 118.993 119.070 0.002 0.000 2.607 440 H HA 0.700 5.254 4.556 -0.003 0.000 0.367 440 H C 0.897 176.226 175.328 0.001 0.000 1.181 440 H CA 0.302 56.350 56.048 0.000 0.000 1.402 440 H CB 1.404 31.163 29.762 -0.005 0.000 1.474 440 H HN -0.023 nan 8.280 nan 0.000 0.596 441 S N 1.332 117.098 115.700 0.109 0.000 2.475 441 S HA 0.125 4.593 4.470 -0.004 0.000 0.224 441 S C 1.492 176.137 174.600 0.074 0.000 1.042 441 S CA 0.214 58.445 58.200 0.050 0.000 0.935 441 S CB 0.163 63.385 63.200 0.038 0.000 0.801 441 S HN 0.867 nan 8.310 nan 0.000 0.509 442 G N 2.128 110.996 108.800 0.112 0.000 2.666 442 G HA2 0.447 4.405 3.960 -0.004 0.000 0.207 442 G HA3 0.447 4.405 3.960 -0.004 0.000 0.207 442 G C -2.506 172.456 174.900 0.104 0.000 1.481 442 G CA -0.787 44.360 45.100 0.079 0.000 1.071 442 G HN 0.211 nan 8.290 nan 0.000 0.572 443 P HA 0.402 nan 4.420 nan 0.000 0.272 443 P C -0.083 177.240 177.300 0.040 0.000 1.240 443 P CA -0.196 62.930 63.100 0.044 0.000 0.791 443 P CB 0.400 32.101 31.700 0.001 0.000 0.978 444 A N 2.552 125.385 122.820 0.022 0.000 2.531 444 A HA 0.235 4.552 4.320 -0.004 0.000 0.236 444 A C -1.759 175.706 177.584 -0.199 0.000 1.062 444 A CA -0.606 51.373 52.037 -0.097 0.000 0.760 444 A CB -1.194 17.794 19.000 -0.020 0.000 0.995 444 A HN 0.407 nan 8.150 nan 0.000 0.501 445 P HA 0.188 nan 4.420 nan 0.000 0.225 445 P C 0.458 177.675 177.300 -0.138 0.000 1.768 445 P CA -0.026 62.940 63.100 -0.223 0.000 0.943 445 P CB -0.192 31.346 31.700 -0.271 0.000 1.936 446 L N -0.555 120.605 121.223 -0.104 0.000 2.275 446 L HA -0.125 4.213 4.340 -0.004 0.000 0.215 446 L C 2.271 179.101 176.870 -0.068 0.000 1.119 446 L CA 1.399 56.194 54.840 -0.075 0.000 0.790 446 L CB -0.774 41.249 42.059 -0.060 0.000 0.919 446 L HN 0.144 nan 8.230 nan 0.000 0.443 447 A N -0.424 122.354 122.820 -0.070 0.000 1.935 447 A HA -0.028 4.290 4.320 -0.004 0.000 0.214 447 A C 2.321 179.862 177.584 -0.070 0.000 1.178 447 A CA 0.827 52.826 52.037 -0.063 0.000 0.640 447 A CB -0.533 18.435 19.000 -0.054 0.000 0.825 447 A HN 0.123 nan 8.150 nan 0.000 0.447 448 V N 0.377 120.245 119.914 -0.077 0.000 2.392 448 V HA -0.341 3.777 4.120 -0.004 0.000 0.249 448 V C 2.630 178.670 176.094 -0.089 0.000 1.059 448 V CA 2.357 64.608 62.300 -0.082 0.000 1.051 448 V CB -0.927 30.847 31.823 -0.082 0.000 0.658 448 V HN 0.640 nan 8.190 nan 0.000 0.455 449 Q N -0.577 119.175 119.800 -0.081 0.000 2.046 449 Q HA -0.193 4.144 4.340 -0.004 0.000 0.200 449 Q C 2.126 178.070 176.000 -0.095 0.000 0.975 449 Q CA 1.677 57.438 55.803 -0.071 0.000 0.836 449 Q CB -0.259 28.456 28.738 -0.039 0.000 0.896 449 Q HN 0.601 nan 8.270 nan 0.000 0.428 450 D N 0.808 121.159 120.400 -0.082 0.000 2.104 450 D HA -0.169 4.469 4.640 -0.004 0.000 0.194 450 D C 1.835 178.067 176.300 -0.113 0.000 0.994 450 D CA 1.466 55.413 54.000 -0.088 0.000 0.830 450 D CB -0.351 40.409 40.800 -0.067 0.000 0.959 450 D HN 0.265 nan 8.370 nan 0.000 0.452 451 A N 0.833 123.591 122.820 -0.103 0.000 1.917 451 A HA -0.196 4.122 4.320 -0.004 0.000 0.219 451 A C 2.418 179.916 177.584 -0.142 0.000 1.182 451 A CA 1.260 53.233 52.037 -0.106 0.000 0.633 451 A CB -0.779 18.167 19.000 -0.089 0.000 0.819 451 A HN 0.234 nan 8.150 nan 0.000 0.448 452 I N -0.571 119.891 120.570 -0.179 0.000 2.202 452 I HA -0.231 3.937 4.170 -0.004 0.000 0.242 452 I C 3.008 178.932 176.117 -0.321 0.000 1.091 452 I CA 0.981 62.134 61.300 -0.245 0.000 1.368 452 I CB -0.531 37.313 38.000 -0.261 0.000 1.058 452 I HN 0.356 nan 8.210 nan 0.000 0.410 453 A N 0.686 123.276 122.820 -0.383 0.000 1.948 453 A HA -0.174 4.143 4.320 -0.004 0.000 0.220 453 A C 2.440 179.855 177.584 -0.283 0.000 1.177 453 A CA 1.962 53.706 52.037 -0.489 0.000 0.636 453 A CB -0.998 17.756 19.000 -0.409 0.000 0.815 453 A HN 0.266 nan 8.150 nan 0.000 0.449 454 V N -0.175 119.629 119.914 -0.184 0.000 2.307 454 V HA -0.227 3.891 4.120 -0.004 0.000 0.245 454 V C 2.680 178.723 176.094 -0.085 0.000 1.045 454 V CA 1.982 64.214 62.300 -0.113 0.000 1.024 454 V CB -0.788 30.986 31.823 -0.082 0.000 0.651 454 V HN 0.490 nan 8.190 nan 0.000 0.449 455 R N -0.233 120.207 120.500 -0.100 0.000 2.103 455 R HA -0.168 4.170 4.340 -0.004 0.000 0.242 455 R C 2.228 178.508 176.300 -0.033 0.000 1.142 455 R CA 1.676 57.735 56.100 -0.069 0.000 0.960 455 R CB -0.718 29.517 30.300 -0.108 0.000 0.858 455 R HN 0.475 nan 8.270 nan 0.000 0.439 456 L N -0.376 120.787 121.223 -0.100 0.000 2.017 456 L HA -0.155 4.183 4.340 -0.004 0.000 0.208 456 L C 2.713 179.628 176.870 0.074 0.000 1.073 456 L CA 1.392 56.209 54.840 -0.038 0.000 0.745 456 L CB -0.741 41.209 42.059 -0.181 0.000 0.894 456 L HN 0.178 nan 8.230 nan 0.000 0.432 457 A N 0.095 122.918 122.820 0.006 0.000 1.908 457 A HA -0.246 4.071 4.320 -0.004 0.000 0.218 457 A C 2.159 179.843 177.584 0.165 0.000 1.181 457 A CA 1.874 53.947 52.037 0.060 0.000 0.627 457 A CB -0.511 18.442 19.000 -0.078 0.000 0.818 457 A HN 0.465 nan 8.150 nan 0.000 0.445 458 E N -1.697 118.567 120.200 0.106 0.000 2.058 458 E HA -0.239 4.109 4.350 -0.004 0.000 0.194 458 E C 1.891 178.561 176.600 0.118 0.000 0.997 458 E CA 1.515 57.978 56.400 0.105 0.000 0.801 458 E CB -0.373 29.368 29.700 0.068 0.000 0.746 458 E HN 0.730 nan 8.360 nan 0.000 0.450 459 Y N 1.174 121.485 120.300 0.018 0.000 2.069 459 Y HA -0.297 4.251 4.550 -0.003 0.000 0.278 459 Y C 2.086 178.008 175.900 0.037 0.000 1.175 459 Y CA 1.667 59.778 58.100 0.019 0.000 1.134 459 Y CB -0.429 38.036 38.460 0.008 0.000 0.965 459 Y HN 0.007 nan 8.280 nan 0.000 0.498 460 A N -0.428 122.456 122.820 0.106 0.000 2.264 460 A HA 0.261 4.579 4.320 -0.004 0.000 0.207 460 A C 1.655 179.213 177.584 -0.045 0.000 1.196 460 A CA 1.011 53.079 52.037 0.052 0.000 0.778 460 A CB -1.604 17.520 19.000 0.207 0.000 0.779 460 A HN 1.098 nan 8.150 nan 0.000 0.483 461 G N -0.944 107.811 108.800 -0.074 0.000 2.204 461 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.244 461 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.244 461 G C -0.143 174.634 174.900 -0.205 0.000 1.062 461 G CA 0.152 45.167 45.100 -0.142 0.000 0.798 461 G HN 0.718 nan 8.290 nan 0.000 0.496 462 H N -0.550 118.513 119.070 -0.013 0.000 2.567 462 H HA 0.664 5.218 4.556 -0.004 0.000 0.345 462 H C 0.089 175.413 175.328 -0.007 0.000 1.169 462 H CA -0.117 55.927 56.048 -0.006 0.000 1.227 462 H CB 1.750 31.513 29.762 0.001 0.000 1.607 462 H HN 0.366 nan 8.280 nan 0.000 0.534 463 Q N -0.026 119.852 119.800 0.130 0.000 2.423 463 Q HA 0.517 4.855 4.340 -0.004 0.000 0.278 463 Q C -0.841 175.196 176.000 0.061 0.000 1.097 463 Q CA -0.896 54.947 55.803 0.067 0.000 0.809 463 Q CB 2.720 31.477 28.738 0.033 0.000 1.391 463 Q HN 0.781 nan 8.270 nan 0.000 0.428 464 A N 2.512 125.352 122.820 0.034 0.000 2.520 464 A HA 0.413 4.731 4.320 -0.004 0.000 0.245 464 A C -2.114 175.482 177.584 0.020 0.000 1.072 464 A CA -0.830 51.219 52.037 0.020 0.000 0.761 464 A CB -0.591 18.413 19.000 0.008 0.000 1.004 464 A HN 0.421 nan 8.150 nan 0.000 0.499 465 P HA 0.277 nan 4.420 nan 0.000 0.271 465 P C -0.249 177.057 177.300 0.010 0.000 1.220 465 P CA 0.185 63.295 63.100 0.017 0.000 0.768 465 P CB 0.659 32.368 31.700 0.015 0.000 0.848 466 E N 1.018 121.224 120.200 0.010 0.000 2.617 466 E HA 0.386 4.734 4.350 -0.004 0.000 0.208 466 E C 0.698 177.302 176.600 0.007 0.000 0.888 466 E CA -0.395 56.009 56.400 0.007 0.000 1.485 466 E CB 0.669 30.372 29.700 0.005 0.000 1.482 466 E HN 0.532 nan 8.360 nan 0.000 0.813 467 G N 0.000 108.805 108.800 0.008 0.000 5.446 467 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 467 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 467 G CA 0.000 nan 45.100 nan 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925