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 2vgk_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 0.000 176.421 176.300 0.202 0.000 0.893 1 R CA 0.000 56.169 56.100 0.115 0.000 0.921 1 R CB 0.000 30.350 30.300 0.083 0.000 0.687 2 L N 1.811 123.134 121.223 0.168 0.000 2.375 2 L HA 0.023 4.361 4.340 -0.004 0.000 0.215 2 L C 1.935 178.846 176.870 0.069 0.000 1.108 2 L CA 1.853 56.778 54.840 0.141 0.000 0.830 2 L CB 0.078 42.212 42.059 0.125 0.000 0.959 2 L HN 0.231 nan 8.230 nan 0.000 0.457 3 T N -4.000 110.593 114.554 0.065 0.000 2.904 3 T HA -0.214 4.134 4.350 -0.004 0.000 0.267 3 T C 1.595 176.320 174.700 0.041 0.000 1.059 3 T CA 1.071 63.200 62.100 0.048 0.000 1.137 3 T CB -0.109 68.783 68.868 0.040 0.000 0.879 3 T HN 0.344 nan 8.240 nan 0.000 0.467 4 E N 0.418 120.646 120.200 0.047 0.000 2.158 4 E HA -0.006 4.341 4.350 -0.004 0.000 0.191 4 E C 2.093 178.700 176.600 0.013 0.000 0.982 4 E CA 0.467 56.888 56.400 0.035 0.000 0.823 4 E CB -0.125 29.602 29.700 0.046 0.000 0.766 4 E HN 0.452 nan 8.360 nan 0.000 0.468 5 L N 1.281 122.503 121.223 -0.001 0.000 2.079 5 L HA -0.169 4.169 4.340 -0.004 0.000 0.210 5 L C 2.242 179.047 176.870 -0.108 0.000 1.081 5 L CA 1.639 56.420 54.840 -0.098 0.000 0.752 5 L CB -0.125 41.765 42.059 -0.281 0.000 0.896 5 L HN -0.030 nan 8.230 nan 0.000 0.433 6 R N -0.517 119.973 120.500 -0.017 0.000 2.090 6 R HA -0.093 4.245 4.340 -0.004 0.000 0.228 6 R C 2.115 178.453 176.300 0.064 0.000 1.110 6 R CA 1.486 57.640 56.100 0.088 0.000 0.973 6 R CB -0.242 30.158 30.300 0.168 0.000 0.869 6 R HN 0.516 nan 8.270 nan 0.000 0.440 7 E N 0.264 120.481 120.200 0.028 0.000 2.204 7 E HA -0.146 4.201 4.350 -0.004 0.000 0.194 7 E C 1.067 177.661 176.600 -0.011 0.000 0.989 7 E CA 0.944 57.356 56.400 0.020 0.000 0.824 7 E CB 0.125 29.835 29.700 0.017 0.000 0.756 7 E HN 0.318 nan 8.360 nan 0.000 0.477 8 D N 0.259 120.632 120.400 -0.045 0.000 2.240 8 D HA -0.010 4.627 4.640 -0.004 0.000 0.206 8 D C 1.918 178.148 176.300 -0.116 0.000 0.963 8 D CA 0.597 54.556 54.000 -0.069 0.000 0.863 8 D CB 0.120 40.878 40.800 -0.069 0.000 0.973 8 D HN 0.198 nan 8.370 nan 0.000 0.501 9 I N 1.160 121.611 120.570 -0.199 0.000 2.500 9 I HA -0.168 3.999 4.170 -0.004 0.000 0.252 9 I C 1.701 177.709 176.117 -0.182 0.000 1.142 9 I CA 0.750 61.857 61.300 -0.321 0.000 1.451 9 I CB 0.023 37.581 38.000 -0.736 0.000 1.093 9 I HN -0.201 nan 8.210 nan 0.000 0.430 10 D N 1.336 121.709 120.400 -0.045 0.000 2.117 10 D HA -0.137 4.500 4.640 -0.004 0.000 0.197 10 D C 2.264 178.573 176.300 0.015 0.000 0.987 10 D CA 1.580 55.616 54.000 0.061 0.000 0.829 10 D CB -0.059 40.800 40.800 0.098 0.000 0.961 10 D HN 0.321 nan 8.370 nan 0.000 0.460 11 A N 0.340 123.153 122.820 -0.012 0.000 1.968 11 A HA -0.050 4.267 4.320 -0.004 0.000 0.217 11 A C 2.331 179.899 177.584 -0.027 0.000 1.169 11 A CA 0.547 52.575 52.037 -0.015 0.000 0.638 11 A CB -0.542 18.447 19.000 -0.017 0.000 0.812 11 A HN 0.179 nan 8.150 nan 0.000 0.446 12 I N -0.438 120.102 120.570 -0.050 0.000 2.315 12 I HA -0.199 3.968 4.170 -0.004 0.000 0.248 12 I C 1.834 177.926 176.117 -0.042 0.000 1.117 12 I CA 0.980 62.245 61.300 -0.058 0.000 1.404 12 I CB -0.143 37.802 38.000 -0.092 0.000 1.071 12 I HN 0.239 nan 8.210 nan 0.000 0.419 13 L N 0.330 121.535 121.223 -0.030 0.000 2.610 13 L HA -0.039 4.299 4.340 -0.004 0.000 0.232 13 L C 2.068 178.942 176.870 0.007 0.000 1.149 13 L CA 0.341 55.178 54.840 -0.004 0.000 0.872 13 L CB -0.278 41.798 42.059 0.028 0.000 0.992 13 L HN 0.222 nan 8.230 nan 0.000 0.447 14 E N -0.245 119.956 120.200 0.001 0.000 2.299 14 E HA -0.072 4.275 4.350 -0.004 0.000 0.193 14 E C 0.265 176.865 176.600 -0.001 0.000 0.998 14 E CA 0.059 56.462 56.400 0.004 0.000 0.851 14 E CB -0.007 29.695 29.700 0.003 0.000 0.795 14 E HN 0.409 nan 8.360 nan 0.000 0.492 15 D N 1.559 121.954 120.400 -0.009 0.000 2.795 15 D HA -0.121 4.516 4.640 -0.004 0.000 0.221 15 D C -1.376 174.920 176.300 -0.006 0.000 1.108 15 D CA -0.377 53.615 54.000 -0.012 0.000 0.832 15 D CB 0.922 41.708 40.800 -0.023 0.000 1.183 15 D HN -0.036 nan 8.370 nan 0.000 0.503 16 P HA -0.110 nan 4.420 nan 0.000 0.228 16 P C 0.598 177.900 177.300 0.003 0.000 1.151 16 P CA 0.711 63.812 63.100 0.001 0.000 0.770 16 P CB 0.095 31.796 31.700 0.001 0.000 0.786 17 A N -0.177 122.639 122.820 -0.008 0.000 2.121 17 A HA -0.015 4.302 4.320 -0.004 0.000 0.218 17 A C 1.824 179.405 177.584 -0.005 0.000 1.154 17 A CA 0.719 52.748 52.037 -0.013 0.000 0.679 17 A CB -1.087 17.889 19.000 -0.040 0.000 0.795 17 A HN 0.207 nan 8.150 nan 0.000 0.458 18 L N 0.241 121.466 121.223 0.003 0.000 2.978 18 L HA 0.196 4.533 4.340 -0.004 0.000 0.239 18 L C 0.175 177.069 176.870 0.041 0.000 1.293 18 L CA -0.347 54.507 54.840 0.023 0.000 1.085 18 L CB 0.058 42.122 42.059 0.009 0.000 1.432 18 L HN 0.300 nan 8.230 nan 0.000 0.512 19 E N 0.978 121.204 120.200 0.043 0.000 2.166 19 E HA 0.314 4.662 4.350 -0.004 0.000 0.279 19 E C 1.205 177.832 176.600 0.045 0.000 1.095 19 E CA 0.716 57.139 56.400 0.037 0.000 0.888 19 E CB 0.401 30.119 29.700 0.030 0.000 1.041 19 E HN 0.358 nan 8.360 nan 0.000 0.414 20 G N 2.861 111.683 108.800 0.037 0.000 2.148 20 G HA2 -0.250 3.707 3.960 -0.004 0.000 0.254 20 G HA3 -0.250 3.707 3.960 -0.004 0.000 0.254 20 G C 0.209 175.134 174.900 0.041 0.000 0.981 20 G CA 0.061 45.181 45.100 0.033 0.000 0.670 20 G HN 0.872 nan 8.290 nan 0.000 0.528 21 A N -0.481 122.375 122.820 0.059 0.000 2.306 21 A HA 0.825 5.142 4.320 -0.004 0.000 0.314 21 A C 0.245 177.865 177.584 0.061 0.000 1.164 21 A CA -0.129 51.955 52.037 0.079 0.000 0.822 21 A CB 1.652 20.733 19.000 0.135 0.000 1.130 21 A HN 1.163 nan 8.150 nan 0.000 0.496 22 V N 1.691 121.640 119.914 0.058 0.000 2.439 22 V HA 0.552 4.669 4.120 -0.004 0.000 0.282 22 V C 0.219 176.349 176.094 0.061 0.000 1.039 22 V CA -0.239 62.090 62.300 0.049 0.000 0.913 22 V CB 1.234 33.079 31.823 0.037 0.000 0.983 22 V HN 0.816 nan 8.190 nan 0.000 0.460 23 S N 2.606 118.340 115.700 0.057 0.000 2.647 23 S HA 0.629 5.097 4.470 -0.004 0.000 0.300 23 S C 0.223 174.862 174.600 0.066 0.000 1.129 23 S CA -0.546 57.691 58.200 0.062 0.000 1.029 23 S CB 1.717 64.952 63.200 0.059 0.000 1.007 23 S HN 1.093 nan 8.310 nan 0.000 0.484 24 G N 1.707 110.547 108.800 0.067 0.000 2.327 24 G HA2 0.555 4.512 3.960 -0.004 0.000 0.302 24 G HA3 0.555 4.512 3.960 -0.004 0.000 0.302 24 G C -0.856 174.102 174.900 0.098 0.000 1.113 24 G CA -0.393 44.751 45.100 0.073 0.000 0.921 24 G HN 0.588 nan 8.290 nan 0.000 0.425 25 V N 3.248 123.243 119.914 0.135 0.000 2.482 25 V HA 0.479 4.596 4.120 -0.004 0.000 0.295 25 V C -0.484 175.754 176.094 0.240 0.000 1.026 25 V CA -0.656 61.759 62.300 0.193 0.000 0.856 25 V CB 1.673 33.636 31.823 0.233 0.000 1.001 25 V HN 0.541 nan 8.190 nan 0.000 0.424 26 V N 5.448 125.484 119.914 0.204 0.000 2.638 26 V HA 0.649 4.766 4.120 -0.004 0.000 0.306 26 V C -0.623 175.588 176.094 0.196 0.000 1.052 26 V CA -0.565 61.843 62.300 0.180 0.000 0.885 26 V CB 2.367 34.253 31.823 0.105 0.000 0.999 26 V HN 0.596 nan 8.190 nan 0.000 0.424 27 V N 4.958 124.988 119.914 0.194 0.000 2.709 27 V HA 0.734 4.852 4.120 -0.004 0.000 0.308 27 V C -0.658 175.512 176.094 0.127 0.000 1.062 27 V CA -0.611 61.788 62.300 0.164 0.000 0.901 27 V CB 2.169 34.057 31.823 0.108 0.000 1.003 27 V HN 0.586 nan 8.190 nan 0.000 0.425 28 V N 2.379 122.368 119.914 0.126 0.000 2.888 28 V HA 0.455 4.573 4.120 -0.004 0.000 0.309 28 V C -1.054 175.115 176.094 0.124 0.000 1.114 28 V CA -0.621 61.744 62.300 0.109 0.000 0.940 28 V CB 2.431 34.311 31.823 0.095 0.000 1.021 28 V HN 0.938 nan 8.190 nan 0.000 0.426 29 D N 1.962 122.431 120.400 0.114 0.000 2.264 29 D HA 0.212 4.849 4.640 -0.004 0.000 0.250 29 D C 0.873 177.236 176.300 0.106 0.000 1.113 29 D CA 0.160 54.233 54.000 0.121 0.000 0.871 29 D CB 2.214 43.084 40.800 0.117 0.000 1.167 29 D HN 0.582 nan 8.370 nan 0.000 0.447 30 T N 2.368 116.991 114.554 0.115 0.000 3.023 30 T HA 0.017 4.364 4.350 -0.004 0.000 0.266 30 T C 1.516 176.255 174.700 0.066 0.000 1.093 30 T CA 1.182 63.343 62.100 0.100 0.000 1.129 30 T CB 0.211 69.155 68.868 0.126 0.000 0.899 30 T HN 0.533 nan 8.240 nan 0.000 0.491 31 A N 0.802 123.658 122.820 0.060 0.000 1.975 31 A HA 0.039 4.357 4.320 -0.004 0.000 0.215 31 A C 2.461 180.067 177.584 0.036 0.000 1.170 31 A CA 1.739 53.800 52.037 0.040 0.000 0.656 31 A CB -0.530 18.491 19.000 0.036 0.000 0.821 31 A HN 0.582 nan 8.150 nan 0.000 0.449 32 T N -5.705 108.877 114.554 0.046 0.000 3.045 32 T HA 0.430 4.777 4.350 -0.004 0.000 0.239 32 T C 1.454 176.178 174.700 0.040 0.000 1.008 32 T CA 1.365 63.489 62.100 0.040 0.000 1.143 32 T CB 0.130 69.025 68.868 0.045 0.000 0.894 32 T HN 1.621 nan 8.240 nan 0.000 0.451 33 G N 1.177 110.007 108.800 0.050 0.000 2.168 33 G HA2 -0.178 3.779 3.960 -0.004 0.000 0.197 33 G HA3 -0.178 3.779 3.960 -0.004 0.000 0.197 33 G C -0.207 174.723 174.900 0.050 0.000 0.997 33 G CA 0.095 45.224 45.100 0.048 0.000 0.658 33 G HN 0.843 nan 8.290 nan 0.000 0.513 34 E N 1.024 121.258 120.200 0.057 0.000 2.351 34 E HA 0.264 4.612 4.350 -0.004 0.000 0.266 34 E C 0.165 176.803 176.600 0.062 0.000 1.031 34 E CA -0.256 56.178 56.400 0.057 0.000 0.911 34 E CB 0.259 29.998 29.700 0.065 0.000 0.986 34 E HN 0.389 nan 8.360 nan 0.000 0.446 35 E N 5.265 125.495 120.200 0.050 0.000 2.029 35 E HA 0.021 4.368 4.350 -0.004 0.000 0.276 35 E C 0.569 177.200 176.600 0.051 0.000 1.163 35 E CA -0.178 56.252 56.400 0.050 0.000 0.909 35 E CB 0.397 30.115 29.700 0.030 0.000 1.046 35 E HN 0.675 nan 8.360 nan 0.000 0.406 36 L N 4.606 125.870 121.223 0.067 0.000 2.313 36 L HA 0.078 4.415 4.340 -0.004 0.000 0.214 36 L C 0.306 177.247 176.870 0.118 0.000 1.119 36 L CA 0.469 55.343 54.840 0.056 0.000 0.809 36 L CB -0.037 42.021 42.059 -0.001 0.000 0.933 36 L HN 0.528 nan 8.230 nan 0.000 0.449 37 Y N -1.280 119.003 120.300 -0.029 0.000 2.521 37 Y HA 0.453 5.000 4.550 -0.005 0.000 0.328 37 Y C -1.125 174.774 175.900 -0.003 0.000 1.151 37 Y CA -0.927 57.157 58.100 -0.027 0.000 1.054 37 Y CB 1.882 40.313 38.460 -0.048 0.000 1.338 37 Y HN -0.283 nan 8.280 nan 0.000 0.453 38 S N 4.933 120.358 115.700 -0.458 0.000 2.689 38 S HA 0.573 5.040 4.470 -0.004 0.000 0.274 38 S C -1.951 172.424 174.600 -0.376 0.000 1.176 38 S CA -0.669 57.381 58.200 -0.250 0.000 1.014 38 S CB 0.722 63.844 63.200 -0.130 0.000 1.071 38 S HN 0.786 nan 8.310 nan 0.000 0.478 39 R N 3.525 123.927 120.500 -0.164 0.000 2.483 39 R HA 0.411 4.749 4.340 -0.004 0.000 0.303 39 R C -1.007 175.294 176.300 0.001 0.000 0.987 39 R CA -0.254 55.795 56.100 -0.086 0.000 0.881 39 R CB 0.521 30.832 30.300 0.019 0.000 1.177 39 R HN 0.634 nan 8.270 nan 0.000 0.451 40 D N 3.261 123.654 120.400 -0.012 0.000 2.708 40 D HA -0.156 4.481 4.640 -0.004 0.000 0.236 40 D C 0.838 177.148 176.300 0.018 0.000 1.146 40 D CA 1.414 55.419 54.000 0.007 0.000 0.662 40 D CB -0.763 40.050 40.800 0.021 0.000 1.059 40 D HN 0.923 nan 8.370 nan 0.000 0.428 41 G N 0.030 108.836 108.800 0.010 0.000 2.471 41 G HA2 0.015 3.972 3.960 -0.004 0.000 0.219 41 G HA3 0.015 3.972 3.960 -0.004 0.000 0.219 41 G C 1.402 176.318 174.900 0.026 0.000 1.125 41 G CA 0.845 45.959 45.100 0.023 0.000 0.775 41 G HN 0.466 nan 8.290 nan 0.000 0.548 42 G N -0.541 108.269 108.800 0.017 0.000 3.393 42 G HA2 0.340 4.297 3.960 -0.004 0.000 0.255 42 G HA3 0.340 4.297 3.960 -0.004 0.000 0.255 42 G C 0.122 175.030 174.900 0.014 0.000 1.097 42 G CA -0.202 44.908 45.100 0.016 0.000 0.780 42 G HN 0.370 nan 8.290 nan 0.000 0.540 43 E N 0.861 121.071 120.200 0.017 0.000 2.313 43 E HA 0.301 4.648 4.350 -0.004 0.000 0.276 43 E C 0.138 176.749 176.600 0.018 0.000 1.031 43 E CA -0.223 56.186 56.400 0.016 0.000 0.857 43 E CB 0.481 30.192 29.700 0.018 0.000 1.040 43 E HN 0.203 nan 8.360 nan 0.000 0.408 44 Q N 3.373 123.180 119.800 0.012 0.000 2.294 44 Q HA 0.418 4.755 4.340 -0.004 0.000 0.257 44 Q C -0.716 175.291 176.000 0.011 0.000 0.955 44 Q CA -0.177 55.631 55.803 0.008 0.000 0.936 44 Q CB 0.781 29.518 28.738 -0.001 0.000 1.188 44 Q HN 0.493 nan 8.270 nan 0.000 0.420 45 L N 2.031 123.262 121.223 0.015 0.000 2.359 45 L HA 0.541 4.879 4.340 -0.004 0.000 0.256 45 L C -0.687 176.191 176.870 0.014 0.000 1.026 45 L CA -1.093 53.758 54.840 0.019 0.000 0.828 45 L CB 1.484 43.561 42.059 0.031 0.000 1.406 45 L HN 0.397 nan 8.230 nan 0.000 0.413 46 L N 1.636 122.866 121.223 0.012 0.000 2.371 46 L HA 0.306 4.643 4.340 -0.004 0.000 0.272 46 L C -1.772 175.108 176.870 0.017 0.000 1.124 46 L CA -1.290 53.554 54.840 0.006 0.000 0.816 46 L CB 0.594 42.650 42.059 -0.006 0.000 1.129 46 L HN 0.429 nan 8.230 nan 0.000 0.448 47 P HA 0.121 nan 4.420 nan 0.000 0.268 47 P C 0.711 178.022 177.300 0.018 0.000 1.248 47 P CA 0.589 63.713 63.100 0.040 0.000 0.851 47 P CB 0.818 32.569 31.700 0.084 0.000 1.238 48 A N 0.815 123.629 122.820 -0.009 0.000 5.568 48 A HA -0.313 4.004 4.320 -0.004 0.000 0.322 48 A C 1.877 179.454 177.584 -0.011 0.000 1.802 48 A CA 2.109 54.123 52.037 -0.039 0.000 0.727 48 A CB -2.377 16.582 19.000 -0.068 0.000 1.362 48 A HN 0.187 nan 8.150 nan 0.000 0.396 49 S N 0.796 116.476 115.700 -0.034 0.000 2.547 49 S HA -0.081 4.386 4.470 -0.004 0.000 0.235 49 S C 1.316 175.914 174.600 -0.005 0.000 0.980 49 S CA 1.174 59.363 58.200 -0.018 0.000 0.941 49 S CB -0.638 62.528 63.200 -0.057 0.000 0.763 49 S HN 0.621 nan 8.310 nan 0.000 0.532 50 N N 1.405 120.109 118.700 0.006 0.000 2.519 50 N HA 0.014 4.751 4.740 -0.004 0.000 0.186 50 N C 1.313 176.909 175.510 0.142 0.000 1.062 50 N CA 0.433 53.495 53.050 0.019 0.000 0.910 50 N CB -0.327 38.170 38.487 0.017 0.000 0.958 50 N HN 0.299 nan 8.380 nan 0.000 0.445 51 M N 0.403 120.120 119.600 0.195 0.000 2.557 51 M HA 0.023 4.500 4.480 -0.004 0.000 0.259 51 M C 1.287 177.776 176.300 0.315 0.000 1.086 51 M CA 1.257 56.752 55.300 0.326 0.000 1.096 51 M CB 0.085 32.798 32.600 0.189 0.000 1.424 51 M HN -0.121 nan 8.290 nan 0.000 0.488 52 K N -0.563 119.948 120.400 0.185 0.000 2.217 52 K HA -0.005 4.313 4.320 -0.004 0.000 0.202 52 K C 1.697 178.386 176.600 0.149 0.000 1.051 52 K CA 0.891 57.281 56.287 0.173 0.000 0.952 52 K CB -0.172 32.336 32.500 0.014 0.000 0.736 52 K HN 0.370 nan 8.250 nan 0.000 0.453 53 L N -0.168 121.092 121.223 0.062 0.000 1.989 53 L HA -0.229 4.108 4.340 -0.004 0.000 0.211 53 L C 2.080 179.057 176.870 0.179 0.000 1.071 53 L CA 1.621 56.500 54.840 0.065 0.000 0.749 53 L CB -0.538 41.426 42.059 -0.158 0.000 0.890 53 L HN 0.131 nan 8.230 nan 0.000 0.431 54 F N -0.237 119.840 119.950 0.211 0.000 2.095 54 F HA -0.243 4.282 4.527 -0.003 0.000 0.298 54 F C 2.707 178.597 175.800 0.150 0.000 1.104 54 F CA 1.767 59.860 58.000 0.154 0.000 1.232 54 F CB -1.219 37.844 39.000 0.104 0.000 0.987 54 F HN 0.011 nan 8.300 nan 0.000 0.475 55 T N 0.099 114.873 114.554 0.368 0.000 2.635 55 T HA -0.273 4.074 4.350 -0.004 0.000 0.267 55 T C 2.252 177.108 174.700 0.260 0.000 1.040 55 T CA 1.606 63.879 62.100 0.288 0.000 1.156 55 T CB -0.810 68.257 68.868 0.332 0.000 0.863 55 T HN 0.331 nan 8.240 nan 0.000 0.430 56 A N 1.192 124.221 122.820 0.349 0.000 1.972 56 A HA 0.192 4.509 4.320 -0.004 0.000 0.219 56 A C 2.597 180.283 177.584 0.171 0.000 1.169 56 A CA 1.794 54.053 52.037 0.370 0.000 0.635 56 A CB -0.963 18.303 19.000 0.443 0.000 0.810 56 A HN 0.526 nan 8.150 nan 0.000 0.446 57 A N -0.209 122.669 122.820 0.096 0.000 1.897 57 A HA 0.250 4.567 4.320 -0.004 0.000 0.215 57 A C 2.470 179.899 177.584 -0.258 0.000 1.181 57 A CA 1.761 53.599 52.037 -0.333 0.000 0.620 57 A CB -0.908 17.896 19.000 -0.327 0.000 0.821 57 A HN 0.993 nan 8.150 nan 0.000 0.443 58 A N -0.144 122.649 122.820 -0.045 0.000 1.969 58 A HA 0.214 4.532 4.320 -0.004 0.000 0.218 58 A C 2.412 179.960 177.584 -0.060 0.000 1.169 58 A CA 1.813 53.840 52.037 -0.017 0.000 0.635 58 A CB -0.830 18.203 19.000 0.055 0.000 0.810 58 A HN 1.006 nan 8.150 nan 0.000 0.445 59 A N -0.553 122.238 122.820 -0.048 0.000 2.015 59 A HA 0.082 4.400 4.320 -0.004 0.000 0.219 59 A C 2.067 179.564 177.584 -0.146 0.000 1.163 59 A CA 1.295 53.297 52.037 -0.057 0.000 0.646 59 A CB -0.413 18.595 19.000 0.013 0.000 0.806 59 A HN 0.470 nan 8.150 nan 0.000 0.448 60 L N -1.258 119.782 121.223 -0.305 0.000 2.209 60 L HA -0.020 4.317 4.340 -0.004 0.000 0.207 60 L C 2.520 179.140 176.870 -0.417 0.000 1.094 60 L CA 0.667 55.202 54.840 -0.508 0.000 0.790 60 L CB -0.324 41.084 42.059 -1.086 0.000 0.932 60 L HN 0.318 nan 8.230 nan 0.000 0.447 61 E N -0.050 119.980 120.200 -0.283 0.000 2.106 61 E HA -0.136 4.211 4.350 -0.004 0.000 0.192 61 E C 2.225 178.824 176.600 -0.002 0.000 0.984 61 E CA 1.175 57.579 56.400 0.006 0.000 0.806 61 E CB 0.172 29.927 29.700 0.091 0.000 0.750 61 E HN 0.286 nan 8.360 nan 0.000 0.458 62 V N 0.834 120.719 119.914 -0.049 0.000 2.374 62 V HA -0.122 3.995 4.120 -0.004 0.000 0.241 62 V C 2.301 178.349 176.094 -0.077 0.000 1.034 62 V CA 1.003 63.276 62.300 -0.044 0.000 1.037 62 V CB -0.218 31.578 31.823 -0.046 0.000 0.682 62 V HN 0.155 nan 8.190 nan 0.000 0.463 63 L N -0.128 121.014 121.223 -0.134 0.000 2.416 63 L HA 0.461 4.799 4.340 -0.004 0.000 0.216 63 L C 1.169 177.971 176.870 -0.113 0.000 1.098 63 L CA 0.745 55.438 54.840 -0.245 0.000 0.840 63 L CB -0.596 41.202 42.059 -0.434 0.000 0.981 63 L HN 0.526 nan 8.230 nan 0.000 0.462 64 G N -0.272 108.488 108.800 -0.067 0.000 2.733 64 G HA2 -0.140 3.818 3.960 -0.004 0.000 0.686 64 G HA3 -0.140 3.818 3.960 -0.004 0.000 0.686 64 G C 0.470 175.374 174.900 0.006 0.000 1.373 64 G CA -0.312 44.785 45.100 -0.005 0.000 0.838 64 G HN 0.213 nan 8.290 nan 0.000 0.588 65 A N -0.113 122.728 122.820 0.036 0.000 2.167 65 A HA 0.265 4.582 4.320 -0.004 0.000 0.214 65 A C 1.815 179.429 177.584 0.049 0.000 1.151 65 A CA 1.963 54.031 52.037 0.052 0.000 0.735 65 A CB -0.334 18.729 19.000 0.104 0.000 0.802 65 A HN 1.199 nan 8.150 nan 0.000 0.467 66 D N -2.115 118.310 120.400 0.042 0.000 2.340 66 D HA 0.051 4.689 4.640 -0.004 0.000 0.220 66 D C 0.708 176.987 176.300 -0.036 0.000 1.039 66 D CA -0.012 53.994 54.000 0.010 0.000 0.866 66 D CB -0.455 40.353 40.800 0.013 0.000 0.913 66 D HN 0.577 nan 8.370 nan 0.000 0.523 67 H N 0.702 119.687 119.070 -0.141 0.000 2.764 67 H HA 0.358 4.911 4.556 -0.004 0.000 0.341 67 H C -0.000 175.079 175.328 -0.415 0.000 1.072 67 H CA -0.150 55.739 56.048 -0.265 0.000 1.444 67 H CB 0.654 30.247 29.762 -0.281 0.000 1.458 67 H HN 0.108 nan 8.280 nan 0.000 0.572 68 S N 3.592 118.734 115.700 -0.930 0.000 2.709 68 S HA 0.622 5.089 4.470 -0.004 0.000 0.302 68 S C -1.216 172.750 174.600 -1.057 0.000 1.127 68 S CA -0.957 56.757 58.200 -0.810 0.000 0.905 68 S CB 1.409 64.363 63.200 -0.410 0.000 1.151 68 S HN 0.414 nan 8.310 nan 0.000 0.510 69 F N -0.076 119.726 119.950 -0.246 0.000 2.520 69 F HA 0.741 5.265 4.527 -0.004 0.000 0.322 69 F C 0.856 176.519 175.800 -0.228 0.000 1.103 69 F CA -0.536 57.343 58.000 -0.201 0.000 0.926 69 F CB 2.284 41.218 39.000 -0.109 0.000 1.154 69 F HN 0.974 nan 8.300 nan 0.000 0.453 70 G N 0.409 109.161 108.800 -0.080 0.000 2.489 70 G HA2 0.706 4.663 3.960 -0.004 0.000 0.327 70 G HA3 0.706 4.663 3.960 -0.004 0.000 0.327 70 G C -1.377 173.434 174.900 -0.147 0.000 1.189 70 G CA -0.690 44.323 45.100 -0.146 0.000 0.962 70 G HN 0.539 nan 8.290 nan 0.000 0.486 71 T N 0.550 115.038 114.554 -0.111 0.000 2.956 71 T HA 0.550 4.897 4.350 -0.004 0.000 0.312 71 T C -1.060 173.584 174.700 -0.094 0.000 1.151 71 T CA -0.596 61.438 62.100 -0.111 0.000 1.024 71 T CB 2.192 71.020 68.868 -0.065 0.000 1.140 71 T HN 0.608 nan 8.240 nan 0.000 0.473 72 E N 0.897 121.029 120.200 -0.113 0.000 2.408 72 E HA 0.673 5.021 4.350 -0.004 0.000 0.275 72 E C -1.392 175.167 176.600 -0.067 0.000 0.935 72 E CA -1.078 55.278 56.400 -0.073 0.000 0.775 72 E CB 2.637 32.302 29.700 -0.059 0.000 1.277 72 E HN 0.244 nan 8.360 nan 0.000 0.455 73 V N 1.024 120.933 119.914 -0.009 0.000 2.448 73 V HA 0.735 4.853 4.120 -0.004 0.000 0.295 73 V C -0.614 175.554 176.094 0.123 0.000 1.025 73 V CA -0.536 61.798 62.300 0.056 0.000 0.859 73 V CB 1.309 33.198 31.823 0.108 0.000 0.988 73 V HN 0.785 nan 8.190 nan 0.000 0.431 74 A N 3.794 126.736 122.820 0.204 0.000 2.414 74 A HA 1.014 5.331 4.320 -0.004 0.000 0.306 74 A C -0.389 177.439 177.584 0.406 0.000 1.054 74 A CA -0.178 52.016 52.037 0.261 0.000 0.724 74 A CB 1.891 21.040 19.000 0.247 0.000 1.267 74 A HN 1.364 nan 8.150 nan 0.000 0.418 75 A N 0.470 123.468 122.820 0.296 0.000 2.435 75 A HA 0.721 5.038 4.320 -0.004 0.000 0.296 75 A C 0.640 178.096 177.584 -0.214 0.000 1.147 75 A CA 0.027 52.184 52.037 0.200 0.000 0.775 75 A CB 1.002 20.058 19.000 0.094 0.000 1.340 75 A HN 0.931 nan 8.150 nan 0.000 0.427 76 E N -0.166 119.572 120.200 -0.769 0.000 2.072 76 E HA -0.054 4.294 4.350 -0.004 0.000 0.191 76 E C 0.730 177.014 176.600 -0.526 0.000 0.985 76 E CA 1.436 57.100 56.400 -1.226 0.000 0.801 76 E CB 0.062 28.937 29.700 -1.376 0.000 0.750 76 E HN 0.753 nan 8.360 nan 0.000 0.452 77 S N -1.452 114.065 115.700 -0.305 0.000 2.685 77 S HA 0.724 5.191 4.470 -0.004 0.000 0.282 77 S C -0.327 174.216 174.600 -0.095 0.000 1.159 77 S CA -0.660 57.439 58.200 -0.168 0.000 0.833 77 S CB 1.472 64.584 63.200 -0.145 0.000 1.151 77 S HN 0.201 nan 8.310 nan 0.000 0.485 78 A N 1.278 124.062 122.820 -0.060 0.000 2.409 78 A HA 0.674 4.992 4.320 -0.004 0.000 0.246 78 A C -2.287 175.281 177.584 -0.027 0.000 1.099 78 A CA -0.933 51.086 52.037 -0.031 0.000 0.789 78 A CB -1.214 17.772 19.000 -0.023 0.000 1.053 78 A HN 0.739 nan 8.150 nan 0.000 0.503 79 P HA 0.432 nan 4.420 nan 0.000 0.282 79 P C 0.368 177.661 177.300 -0.012 0.000 1.259 79 P CA 0.008 63.102 63.100 -0.010 0.000 0.826 79 P CB 1.011 32.710 31.700 -0.001 0.000 1.064 80 G N 0.628 109.421 108.800 -0.012 0.000 2.582 80 G HA2 0.119 4.076 3.960 -0.004 0.000 0.232 80 G HA3 0.119 4.076 3.960 -0.004 0.000 0.232 80 G C 0.890 175.785 174.900 -0.009 0.000 1.458 80 G CA -0.382 44.711 45.100 -0.012 0.000 1.062 80 G HN 0.461 nan 8.290 nan 0.000 0.566 81 R N -0.564 119.930 120.500 -0.008 0.000 2.119 81 R HA 0.049 4.387 4.340 -0.004 0.000 0.222 81 R C 2.626 178.922 176.300 -0.006 0.000 1.088 81 R CA 0.490 56.586 56.100 -0.007 0.000 0.984 81 R CB -0.064 30.232 30.300 -0.007 0.000 0.884 81 R HN 0.416 nan 8.270 nan 0.000 0.447 82 R N -0.729 119.767 120.500 -0.006 0.000 2.240 82 R HA 0.099 4.437 4.340 -0.004 0.000 0.203 82 R C 0.770 177.066 176.300 -0.006 0.000 1.011 82 R CA 0.722 56.819 56.100 -0.006 0.000 1.007 82 R CB 0.254 30.551 30.300 -0.005 0.000 0.911 82 R HN 0.314 nan 8.270 nan 0.000 0.468 83 G N 2.294 111.090 108.800 -0.006 0.000 2.289 83 G HA2 -0.269 3.688 3.960 -0.004 0.000 0.280 83 G HA3 -0.269 3.688 3.960 -0.004 0.000 0.280 83 G C -0.626 174.272 174.900 -0.004 0.000 1.089 83 G CA -0.047 45.050 45.100 -0.005 0.000 0.939 83 G HN 0.391 nan 8.290 nan 0.000 0.499 84 E N -0.958 119.240 120.200 -0.003 0.000 2.183 84 E HA 0.641 4.988 4.350 -0.004 0.000 0.271 84 E C 0.492 177.093 176.600 0.002 0.000 0.919 84 E CA -0.670 55.730 56.400 -0.000 0.000 0.781 84 E CB 2.643 32.343 29.700 -0.001 0.000 1.140 84 E HN 0.729 nan 8.360 nan 0.000 0.402 85 V N -0.331 119.590 119.914 0.011 0.000 3.113 85 V HA 0.427 4.545 4.120 -0.004 0.000 0.316 85 V C 0.160 176.276 176.094 0.035 0.000 1.125 85 V CA -0.743 61.569 62.300 0.020 0.000 1.026 85 V CB 1.953 33.798 31.823 0.038 0.000 1.080 85 V HN 0.576 nan 8.190 nan 0.000 0.444 86 Q N 0.226 120.059 119.800 0.055 0.000 2.674 86 Q HA 0.309 4.646 4.340 -0.004 0.000 0.357 86 Q C -0.365 175.713 176.000 0.130 0.000 1.089 86 Q CA 0.255 56.110 55.803 0.087 0.000 0.577 86 Q CB -0.118 28.680 28.738 0.099 0.000 4.433 86 Q HN 0.917 nan 8.270 nan 0.000 0.364 87 D N 0.825 121.362 120.400 0.229 0.000 2.341 87 D HA 0.316 4.953 4.640 -0.004 0.000 0.245 87 D C -0.359 176.141 176.300 0.332 0.000 1.106 87 D CA 0.165 54.333 54.000 0.280 0.000 0.905 87 D CB 0.718 41.793 40.800 0.459 0.000 1.202 87 D HN 0.102 nan 8.370 nan 0.000 0.426 88 L N 1.658 123.003 121.223 0.204 0.000 2.342 88 L HA 0.419 4.756 4.340 -0.004 0.000 0.271 88 L C -1.163 175.787 176.870 0.134 0.000 1.008 88 L CA -0.922 54.071 54.840 0.254 0.000 0.818 88 L CB 1.265 43.434 42.059 0.183 0.000 1.296 88 L HN 0.335 nan 8.230 nan 0.000 0.427 89 Y N 2.792 123.228 120.300 0.228 0.000 2.350 89 Y HA 0.374 4.922 4.550 -0.005 0.000 0.338 89 Y C -0.356 175.578 175.900 0.056 0.000 0.961 89 Y CA -0.651 57.533 58.100 0.140 0.000 1.100 89 Y CB 1.979 40.473 38.460 0.055 0.000 1.179 89 Y HN 0.276 nan 8.280 nan 0.000 0.454 90 L N 5.312 126.586 121.223 0.085 0.000 2.257 90 L HA 0.676 5.014 4.340 -0.004 0.000 0.290 90 L C -1.205 175.634 176.870 -0.053 0.000 1.044 90 L CA -0.507 54.267 54.840 -0.109 0.000 0.810 90 L CB 0.596 42.449 42.059 -0.343 0.000 1.193 90 L HN 0.389 nan 8.230 nan 0.000 0.425 91 V N 5.411 125.278 119.914 -0.077 0.000 2.378 91 V HA 0.710 4.828 4.120 -0.004 0.000 0.288 91 V C 0.649 176.656 176.094 -0.146 0.000 1.016 91 V CA -0.368 61.886 62.300 -0.075 0.000 0.840 91 V CB 1.082 32.867 31.823 -0.064 0.000 0.994 91 V HN 0.910 nan 8.190 nan 0.000 0.431 92 G N 3.414 112.120 108.800 -0.157 0.000 2.389 92 G HA2 0.629 4.586 3.960 -0.004 0.000 0.328 92 G HA3 0.629 4.586 3.960 -0.004 0.000 0.328 92 G C -0.072 174.641 174.900 -0.311 0.000 1.133 92 G CA -0.652 44.320 45.100 -0.213 0.000 0.891 92 G HN 0.643 nan 8.290 nan 0.000 0.485 93 R N 0.853 121.118 120.500 -0.392 0.000 2.734 93 R HA 0.335 4.672 4.340 -0.004 0.000 0.395 93 R C 0.919 177.015 176.300 -0.340 0.000 1.096 93 R CA 0.230 55.933 56.100 -0.662 0.000 1.071 93 R CB 0.876 30.570 30.300 -1.009 0.000 1.348 93 R HN 1.042 nan 8.270 nan 0.000 0.600 94 G N 0.913 109.492 108.800 -0.368 0.000 2.141 94 G HA2 -0.249 3.708 3.960 -0.004 0.000 0.231 94 G HA3 -0.249 3.708 3.960 -0.004 0.000 0.231 94 G C -0.285 174.288 174.900 -0.545 0.000 0.984 94 G CA -0.015 44.871 45.100 -0.357 0.000 0.660 94 G HN 0.428 nan 8.290 nan 0.000 0.525 95 D N 1.061 121.239 120.400 -0.370 0.000 2.382 95 D HA 0.360 4.997 4.640 -0.004 0.000 0.259 95 D C -0.525 175.586 176.300 -0.315 0.000 1.224 95 D CA -1.475 52.327 54.000 -0.329 0.000 0.894 95 D CB 1.220 41.971 40.800 -0.082 0.000 1.127 95 D HN 0.210 nan 8.370 nan 0.000 0.487 96 P HA 0.078 nan 4.420 nan 0.000 0.257 96 P C 0.133 177.286 177.300 -0.245 0.000 1.281 96 P CA 0.255 63.159 63.100 -0.327 0.000 0.826 96 P CB 0.089 31.418 31.700 -0.619 0.000 1.237 97 T N -3.755 110.641 114.554 -0.263 0.000 3.516 97 T HA 0.224 4.571 4.350 -0.004 0.000 0.300 97 T C -0.010 174.607 174.700 -0.139 0.000 0.995 97 T CA -0.387 61.474 62.100 -0.398 0.000 0.982 97 T CB -0.612 67.724 68.868 -0.886 0.000 1.199 97 T HN -0.059 nan 8.240 nan 0.000 0.481 98 L N 3.874 125.080 121.223 -0.028 0.000 2.325 98 L HA 0.459 4.796 4.340 -0.004 0.000 0.284 98 L C 0.666 177.561 176.870 0.042 0.000 1.089 98 L CA -0.187 54.652 54.840 -0.002 0.000 0.836 98 L CB 0.743 42.787 42.059 -0.026 0.000 1.184 98 L HN 0.629 nan 8.230 nan 0.000 0.444 99 S N 3.280 119.006 115.700 0.044 0.000 2.681 99 S HA 0.417 4.884 4.470 -0.004 0.000 0.270 99 S C 1.094 175.709 174.600 0.024 0.000 1.209 99 S CA -0.117 58.127 58.200 0.074 0.000 0.988 99 S CB 1.703 64.966 63.200 0.105 0.000 1.006 99 S HN 0.660 nan 8.310 nan 0.000 0.558 100 A N -0.096 122.747 122.820 0.038 0.000 2.015 100 A HA -0.027 4.290 4.320 -0.004 0.000 0.219 100 A C 2.096 179.688 177.584 0.014 0.000 1.163 100 A CA 1.379 53.434 52.037 0.031 0.000 0.646 100 A CB -0.996 18.027 19.000 0.038 0.000 0.806 100 A HN 0.960 nan 8.150 nan 0.000 0.448 101 E N -0.007 120.195 120.200 0.003 0.000 2.072 101 E HA -0.215 4.132 4.350 -0.004 0.000 0.191 101 E C 1.110 177.686 176.600 -0.040 0.000 0.985 101 E CA 1.265 57.660 56.400 -0.009 0.000 0.801 101 E CB -0.131 29.568 29.700 -0.002 0.000 0.750 101 E HN 0.518 nan 8.360 nan 0.000 0.452 102 D N 0.590 120.932 120.400 -0.096 0.000 2.149 102 D HA -0.168 4.469 4.640 -0.004 0.000 0.198 102 D C 2.102 178.319 176.300 -0.139 0.000 0.990 102 D CA 0.768 54.621 54.000 -0.245 0.000 0.839 102 D CB -0.162 40.366 40.800 -0.454 0.000 0.948 102 D HN 0.267 nan 8.370 nan 0.000 0.460 103 L N 0.284 121.489 121.223 -0.029 0.000 2.093 103 L HA -0.154 4.183 4.340 -0.004 0.000 0.208 103 L C 2.159 179.140 176.870 0.186 0.000 1.085 103 L CA 1.052 55.968 54.840 0.126 0.000 0.755 103 L CB -0.307 41.863 42.059 0.185 0.000 0.904 103 L HN -0.054 nan 8.230 nan 0.000 0.435 104 D N 0.144 120.585 120.400 0.069 0.000 2.144 104 D HA -0.183 4.454 4.640 -0.004 0.000 0.199 104 D C 2.104 178.422 176.300 0.031 0.000 0.984 104 D CA 1.248 55.265 54.000 0.028 0.000 0.834 104 D CB 0.183 40.983 40.800 0.000 0.000 0.955 104 D HN 0.263 nan 8.370 nan 0.000 0.465 105 A N -0.479 122.358 122.820 0.028 0.000 2.067 105 A HA 0.023 4.340 4.320 -0.004 0.000 0.217 105 A C 2.147 179.769 177.584 0.063 0.000 1.156 105 A CA 0.608 52.663 52.037 0.029 0.000 0.683 105 A CB -0.393 18.613 19.000 0.010 0.000 0.808 105 A HN 0.288 nan 8.150 nan 0.000 0.455 106 M N -1.012 118.655 119.600 0.113 0.000 2.334 106 M HA 0.012 4.489 4.480 -0.004 0.000 0.266 106 M C 2.298 178.739 176.300 0.233 0.000 1.082 106 M CA 1.029 56.434 55.300 0.176 0.000 1.141 106 M CB -0.117 32.594 32.600 0.185 0.000 1.380 106 M HN 0.447 nan 8.290 nan 0.000 0.440 107 A N 0.045 122.981 122.820 0.194 0.000 2.119 107 A HA 0.157 4.474 4.320 -0.004 0.000 0.217 107 A C 2.179 179.750 177.584 -0.022 0.000 1.153 107 A CA 1.436 53.462 52.037 -0.019 0.000 0.692 107 A CB -0.483 18.378 19.000 -0.233 0.000 0.799 107 A HN 0.461 nan 8.150 nan 0.000 0.458 108 A N -0.257 122.572 122.820 0.014 0.000 1.911 108 A HA 0.021 4.339 4.320 -0.004 0.000 0.212 108 A C 1.847 179.443 177.584 0.019 0.000 1.189 108 A CA 1.077 53.117 52.037 0.005 0.000 0.639 108 A CB -0.326 18.679 19.000 0.007 0.000 0.839 108 A HN 0.516 nan 8.150 nan 0.000 0.449 109 E N -0.064 120.161 120.200 0.041 0.000 2.085 109 E HA -0.152 4.196 4.350 -0.004 0.000 0.194 109 E C 1.962 178.591 176.600 0.047 0.000 0.994 109 E CA 1.413 57.840 56.400 0.046 0.000 0.801 109 E CB -0.254 29.482 29.700 0.060 0.000 0.743 109 E HN 0.373 nan 8.360 nan 0.000 0.453 110 V N 1.206 121.158 119.914 0.064 0.000 2.343 110 V HA -0.285 3.832 4.120 -0.004 0.000 0.247 110 V C 2.293 178.402 176.094 0.024 0.000 1.051 110 V CA 1.944 64.280 62.300 0.060 0.000 1.036 110 V CB -0.621 31.253 31.823 0.085 0.000 0.654 110 V HN 0.326 nan 8.190 nan 0.000 0.451 111 A N -0.288 122.535 122.820 0.004 0.000 1.929 111 A HA 0.004 4.321 4.320 -0.004 0.000 0.216 111 A C 2.375 179.959 177.584 -0.000 0.000 1.176 111 A CA 1.677 53.709 52.037 -0.007 0.000 0.628 111 A CB -0.650 18.337 19.000 -0.022 0.000 0.816 111 A HN 0.560 nan 8.150 nan 0.000 0.444 112 A N 0.332 123.156 122.820 0.006 0.000 2.019 112 A HA -0.055 4.262 4.320 -0.004 0.000 0.219 112 A C 2.334 179.923 177.584 0.009 0.000 1.164 112 A CA 2.006 54.047 52.037 0.007 0.000 0.644 112 A CB -0.750 18.256 19.000 0.011 0.000 0.805 112 A HN 1.003 nan 8.150 nan 0.000 0.449 113 S N -2.127 113.581 115.700 0.014 0.000 2.603 113 S HA 0.379 4.847 4.470 -0.004 0.000 0.220 113 S C 1.271 175.877 174.600 0.009 0.000 0.967 113 S CA 1.083 59.291 58.200 0.014 0.000 0.920 113 S CB -0.116 63.097 63.200 0.022 0.000 0.773 113 S HN 1.841 nan 8.310 nan 0.000 0.529 114 G N -0.044 108.760 108.800 0.006 0.000 2.175 114 G HA2 -0.171 3.786 3.960 -0.004 0.000 0.182 114 G HA3 -0.171 3.786 3.960 -0.004 0.000 0.182 114 G C -0.122 174.778 174.900 0.001 0.000 1.003 114 G CA -0.231 44.870 45.100 0.001 0.000 0.666 114 G HN 0.638 nan 8.290 nan 0.000 0.506 115 V N 0.979 120.895 119.914 0.003 0.000 2.583 115 V HA 0.611 4.729 4.120 -0.004 0.000 0.287 115 V C 1.275 177.364 176.094 -0.008 0.000 1.051 115 V CA 0.715 63.016 62.300 0.002 0.000 1.010 115 V CB 1.321 33.151 31.823 0.010 0.000 0.988 115 V HN 0.653 nan 8.190 nan 0.000 0.478 116 R N 1.169 121.662 120.500 -0.011 0.000 2.555 116 R HA 0.246 4.584 4.340 -0.004 0.000 0.312 116 R C -0.282 176.006 176.300 -0.019 0.000 0.938 116 R CA -0.171 55.919 56.100 -0.017 0.000 1.112 116 R CB 0.776 31.067 30.300 -0.015 0.000 1.535 116 R HN 0.596 nan 8.270 nan 0.000 0.525 117 T N 0.988 115.534 114.554 -0.013 0.000 2.949 117 T HA 0.345 4.693 4.350 -0.004 0.000 0.300 117 T C -0.800 173.897 174.700 -0.006 0.000 0.988 117 T CA -0.589 61.503 62.100 -0.013 0.000 0.993 117 T CB 2.335 71.197 68.868 -0.009 0.000 0.984 117 T HN -0.073 nan 8.240 nan 0.000 0.442 118 V N 4.252 124.160 119.914 -0.010 0.000 2.387 118 V HA 0.219 4.336 4.120 -0.004 0.000 0.260 118 V C 1.589 177.683 176.094 0.001 0.000 1.054 118 V CA -0.231 62.071 62.300 0.002 0.000 0.967 118 V CB 0.562 32.382 31.823 -0.005 0.000 1.036 118 V HN 0.747 nan 8.190 nan 0.000 0.481 119 R N 3.577 124.085 120.500 0.014 0.000 2.119 119 R HA 0.126 4.463 4.340 -0.004 0.000 0.222 119 R C 1.404 177.714 176.300 0.017 0.000 1.088 119 R CA 1.155 57.263 56.100 0.014 0.000 0.984 119 R CB -0.077 30.235 30.300 0.020 0.000 0.884 119 R HN 0.836 nan 8.270 nan 0.000 0.447 120 G N -1.048 107.770 108.800 0.030 0.000 2.945 120 G HA2 0.146 4.103 3.960 -0.004 0.000 0.156 120 G HA3 0.146 4.103 3.960 -0.004 0.000 0.156 120 G C -0.849 174.037 174.900 -0.023 0.000 1.375 120 G CA -0.508 44.611 45.100 0.031 0.000 1.039 120 G HN 0.101 nan 8.290 nan 0.000 0.586 121 D N -0.289 120.072 120.400 -0.065 0.000 2.277 121 D HA 0.405 5.043 4.640 -0.004 0.000 0.250 121 D C -0.705 175.397 176.300 -0.331 0.000 1.032 121 D CA -0.284 53.569 54.000 -0.247 0.000 0.947 121 D CB 2.554 43.092 40.800 -0.437 0.000 1.159 121 D HN 0.157 nan 8.370 nan 0.000 0.460 122 L N 1.714 122.715 121.223 -0.370 0.000 2.282 122 L HA 0.342 4.679 4.340 -0.004 0.000 0.288 122 L C -1.571 175.020 176.870 -0.465 0.000 1.033 122 L CA -0.330 54.336 54.840 -0.291 0.000 0.807 122 L CB 0.470 42.472 42.059 -0.095 0.000 1.209 122 L HN 0.235 nan 8.230 nan 0.000 0.423 123 Y N 3.558 123.665 120.300 -0.321 0.000 2.429 123 Y HA 0.749 5.296 4.550 -0.005 0.000 0.342 123 Y C 0.244 176.039 175.900 -0.174 0.000 1.004 123 Y CA -0.766 57.133 58.100 -0.334 0.000 1.075 123 Y CB 2.038 40.077 38.460 -0.702 0.000 1.214 123 Y HN 0.723 nan 8.280 nan 0.000 0.455 124 A N 2.141 125.024 122.820 0.105 0.000 2.276 124 A HA 0.433 4.750 4.320 -0.004 0.000 0.316 124 A C -1.228 176.414 177.584 0.097 0.000 1.229 124 A CA -0.518 51.559 52.037 0.067 0.000 0.851 124 A CB 0.429 19.448 19.000 0.032 0.000 1.165 124 A HN 0.653 nan 8.150 nan 0.000 0.513 125 D N 2.601 123.049 120.400 0.079 0.000 2.453 125 D HA 0.263 4.901 4.640 -0.004 0.000 0.238 125 D C -0.837 175.467 176.300 0.006 0.000 1.088 125 D CA -0.323 53.720 54.000 0.072 0.000 0.854 125 D CB 1.227 42.093 40.800 0.110 0.000 1.076 125 D HN 0.510 nan 8.370 nan 0.000 0.533 126 D N 1.745 122.148 120.400 0.005 0.000 2.670 126 D HA -0.031 4.607 4.640 -0.004 0.000 0.255 126 D C 0.995 177.301 176.300 0.011 0.000 1.286 126 D CA -0.246 53.737 54.000 -0.027 0.000 0.830 126 D CB -0.186 40.593 40.800 -0.035 0.000 1.065 126 D HN 0.260 nan 8.370 nan 0.000 0.486 127 T N -4.317 110.263 114.554 0.043 0.000 3.194 127 T HA -0.063 4.285 4.350 -0.004 0.000 0.251 127 T C 1.156 175.936 174.700 0.134 0.000 1.132 127 T CA -0.441 61.697 62.100 0.064 0.000 1.028 127 T CB -0.779 68.108 68.868 0.030 0.000 0.976 127 T HN 0.395 nan 8.240 nan 0.000 0.535 128 W N 1.042 122.299 121.300 -0.072 0.000 2.467 128 W HA 0.192 4.850 4.660 -0.004 0.000 0.275 128 W C -0.946 175.698 176.519 0.208 0.000 1.239 128 W CA -0.060 57.270 57.345 -0.024 0.000 1.266 128 W CB 0.180 29.551 29.460 -0.148 0.000 1.112 128 W HN 0.134 nan 8.180 nan 0.000 0.576 129 F N 1.517 121.461 119.950 -0.010 0.000 2.575 129 F HA 0.202 4.727 4.527 -0.004 0.000 0.330 129 F C 0.566 176.298 175.800 -0.114 0.000 1.056 129 F CA -2.359 55.556 58.000 -0.143 0.000 0.964 129 F CB -0.279 38.633 39.000 -0.145 0.000 1.258 129 F HN -0.237 nan 8.300 nan 0.000 0.484 130 D N -0.959 119.466 120.400 0.043 0.000 2.354 130 D HA 0.080 4.717 4.640 -0.004 0.000 0.238 130 D C 0.428 176.738 176.300 0.016 0.000 1.250 130 D CA -0.190 53.806 54.000 -0.005 0.000 0.911 130 D CB 0.322 41.087 40.800 -0.058 0.000 1.163 130 D HN 0.356 nan 8.370 nan 0.000 0.456 131 S N -1.749 113.961 115.700 0.018 0.000 2.552 131 S HA 0.082 4.549 4.470 -0.004 0.000 0.246 131 S C 0.257 174.883 174.600 0.044 0.000 1.019 131 S CA -0.775 57.446 58.200 0.034 0.000 1.045 131 S CB -0.606 62.617 63.200 0.038 0.000 0.784 131 S HN 0.567 nan 8.310 nan 0.000 0.453 132 E N 1.521 121.742 120.200 0.035 0.000 2.052 132 E HA 0.217 4.565 4.350 -0.004 0.000 0.283 132 E C 0.625 177.314 176.600 0.149 0.000 1.071 132 E CA -0.602 55.859 56.400 0.102 0.000 0.851 132 E CB 0.360 30.155 29.700 0.157 0.000 1.066 132 E HN 0.178 nan 8.360 nan 0.000 0.396 133 R N 2.778 123.378 120.500 0.166 0.000 2.127 133 R HA 0.177 4.514 4.340 -0.004 0.000 0.217 133 R C 0.369 176.856 176.300 0.310 0.000 1.074 133 R CA 0.669 56.887 56.100 0.197 0.000 0.991 133 R CB -0.239 30.156 30.300 0.159 0.000 0.895 133 R HN 0.443 nan 8.270 nan 0.000 0.450 134 L N -0.767 120.587 121.223 0.218 0.000 2.327 134 L HA 0.439 4.776 4.340 -0.004 0.000 0.258 134 L C -0.259 176.269 176.870 -0.570 0.000 1.024 134 L CA -1.115 53.688 54.840 -0.061 0.000 0.825 134 L CB 2.177 44.329 42.059 0.155 0.000 1.386 134 L HN -0.371 nan 8.230 nan 0.000 0.417 135 V N 0.776 119.719 119.914 -1.619 0.000 2.834 135 V HA 0.017 4.135 4.120 -0.004 0.000 0.301 135 V C 0.509 176.154 176.094 -0.748 0.000 1.066 135 V CA -0.062 61.313 62.300 -1.542 0.000 1.052 135 V CB 1.271 31.847 31.823 -2.079 0.000 1.021 135 V HN 1.002 nan 8.190 nan 0.000 0.480 136 D N 3.141 123.258 120.400 -0.472 0.000 2.160 136 D HA -0.275 4.362 4.640 -0.004 0.000 0.189 136 D C 1.134 177.384 176.300 -0.084 0.000 1.003 136 D CA 1.982 55.859 54.000 -0.205 0.000 0.846 136 D CB -0.440 40.274 40.800 -0.143 0.000 0.949 136 D HN 0.784 nan 8.370 nan 0.000 0.446 137 D N -1.793 118.576 120.400 -0.053 0.000 2.325 137 D HA -0.034 4.603 4.640 -0.004 0.000 0.225 137 D C -0.137 176.389 176.300 0.376 0.000 1.096 137 D CA -0.662 53.421 54.000 0.138 0.000 0.844 137 D CB -0.643 40.230 40.800 0.121 0.000 0.925 137 D HN 0.217 nan 8.370 nan 0.000 0.513 138 W N 0.872 122.234 121.300 0.104 0.000 2.137 138 W HA 0.227 4.884 4.660 -0.005 0.000 0.344 138 W C 0.332 177.064 176.519 0.355 0.000 1.286 138 W CA -1.114 56.320 57.345 0.147 0.000 1.240 138 W CB -0.045 29.453 29.460 0.062 0.000 1.141 138 W HN -0.037 nan 8.180 nan 0.000 0.579 139 W N 3.448 124.890 121.300 0.237 0.000 2.338 139 W HA 0.249 4.907 4.660 -0.003 0.000 0.307 139 W C -1.177 175.421 176.519 0.131 0.000 1.167 139 W CA -2.694 54.737 57.345 0.145 0.000 1.208 139 W CB -0.252 29.273 29.460 0.108 0.000 1.228 139 W HN 0.194 nan 8.180 nan 0.000 0.499 140 P HA -0.238 nan 4.420 nan 0.000 0.217 140 P C 1.421 178.812 177.300 0.151 0.000 1.148 140 P CA 1.945 65.150 63.100 0.175 0.000 0.828 140 P CB 0.264 32.024 31.700 0.100 0.000 0.783 141 E N -0.774 119.539 120.200 0.188 0.000 2.418 141 E HA -0.136 4.212 4.350 -0.004 0.000 0.197 141 E C 0.540 177.271 176.600 0.217 0.000 1.026 141 E CA 0.967 57.470 56.400 0.172 0.000 0.862 141 E CB -0.747 29.058 29.700 0.175 0.000 0.799 141 E HN 0.273 nan 8.360 nan 0.000 0.518 142 D N 1.446 121.995 120.400 0.250 0.000 2.350 142 D HA 0.006 4.643 4.640 -0.004 0.000 0.213 142 D C 1.320 177.626 176.300 0.010 0.000 1.031 142 D CA 0.162 54.317 54.000 0.259 0.000 0.861 142 D CB 0.109 41.066 40.800 0.261 0.000 0.926 142 D HN 0.354 nan 8.370 nan 0.000 0.520 143 E N 0.549 120.733 120.200 -0.027 0.000 2.267 143 E HA -0.132 4.215 4.350 -0.004 0.000 0.197 143 E C -0.846 175.619 176.600 -0.226 0.000 0.998 143 E CA 0.685 57.036 56.400 -0.082 0.000 0.830 143 E CB -0.548 29.159 29.700 0.011 0.000 0.751 143 E HN 0.316 nan 8.360 nan 0.000 0.491 144 P HA -0.107 nan 4.420 nan 0.000 0.226 144 P C -0.504 176.424 177.300 -0.621 0.000 1.153 144 P CA 1.031 63.782 63.100 -0.581 0.000 0.777 144 P CB 0.012 31.235 31.700 -0.794 0.000 0.794 145 Y N -1.676 118.474 120.300 -0.250 0.000 2.352 145 Y HA 0.491 5.038 4.550 -0.005 0.000 0.326 145 Y C 1.879 177.538 175.900 -0.401 0.000 1.166 145 Y CA -1.109 56.789 58.100 -0.337 0.000 1.182 145 Y CB 0.580 38.773 38.460 -0.445 0.000 1.216 145 Y HN -0.236 nan 8.280 nan 0.000 0.474 146 A N 2.243 125.027 122.820 -0.061 0.000 1.986 146 A HA -0.280 4.038 4.320 -0.004 0.000 0.220 146 A C 1.704 179.270 177.584 -0.029 0.000 1.171 146 A CA 2.183 54.202 52.037 -0.029 0.000 0.640 146 A CB -1.266 17.756 19.000 0.036 0.000 0.811 146 A HN 0.957 nan 8.150 nan 0.000 0.451 147 Y N -2.155 118.155 120.300 0.017 0.000 2.571 147 Y HA 0.254 4.800 4.550 -0.005 0.000 0.294 147 Y C 1.798 177.617 175.900 -0.135 0.000 1.141 147 Y CA 0.839 58.908 58.100 -0.052 0.000 1.308 147 Y CB -0.582 37.824 38.460 -0.091 0.000 1.002 147 Y HN 0.169 nan 8.280 nan 0.000 0.551 148 S N 0.604 116.026 115.700 -0.463 0.000 2.588 148 S HA 0.602 5.069 4.470 -0.004 0.000 0.245 148 S C 0.611 175.181 174.600 -0.049 0.000 1.021 148 S CA -0.260 57.746 58.200 -0.324 0.000 1.006 148 S CB -1.134 61.836 63.200 -0.383 0.000 0.830 148 S HN 0.598 nan 8.310 nan 0.000 0.468 149 A N 1.349 124.174 122.820 0.008 0.000 2.498 149 A HA 0.311 4.628 4.320 -0.004 0.000 0.239 149 A C 0.383 178.100 177.584 0.223 0.000 1.068 149 A CA 0.049 52.144 52.037 0.096 0.000 0.766 149 A CB 0.117 19.173 19.000 0.094 0.000 1.003 149 A HN 0.697 nan 8.150 nan 0.000 0.497 150 Q N 0.424 120.345 119.800 0.202 0.000 2.392 150 Q HA 0.226 4.564 4.340 -0.004 0.000 0.262 150 Q C -0.377 175.759 176.000 0.227 0.000 1.003 150 Q CA -0.025 55.921 55.803 0.239 0.000 0.888 150 Q CB 0.617 29.458 28.738 0.172 0.000 1.260 150 Q HN 0.572 nan 8.270 nan 0.000 0.435 151 I N 1.548 122.264 120.570 0.245 0.000 2.342 151 I HA 0.277 4.445 4.170 -0.004 0.000 0.291 151 I C 0.190 176.383 176.117 0.125 0.000 1.010 151 I CA 0.248 61.659 61.300 0.186 0.000 1.308 151 I CB 0.734 38.814 38.000 0.133 0.000 1.400 151 I HN 0.484 nan 8.210 nan 0.000 0.488 152 S N 3.729 119.502 115.700 0.121 0.000 2.607 152 S HA 0.737 5.205 4.470 -0.004 0.000 0.273 152 S C 0.449 175.015 174.600 -0.057 0.000 1.148 152 S CA 0.123 58.361 58.200 0.063 0.000 0.833 152 S CB 1.892 65.112 63.200 0.033 0.000 1.130 152 S HN 0.655 nan 8.310 nan 0.000 0.470 153 A N 1.611 124.282 122.820 -0.248 0.000 2.030 153 A HA 0.410 4.727 4.320 -0.004 0.000 0.215 153 A C 0.613 178.015 177.584 -0.303 0.000 1.164 153 A CA 0.333 52.029 52.037 -0.568 0.000 0.697 153 A CB -0.218 18.389 19.000 -0.655 0.000 0.827 153 A HN 0.663 nan 8.150 nan 0.000 0.457 154 L N 1.210 122.331 121.223 -0.169 0.000 2.283 154 L HA 0.420 4.757 4.340 -0.004 0.000 0.281 154 L C -0.744 176.082 176.870 -0.074 0.000 1.033 154 L CA -0.018 54.749 54.840 -0.122 0.000 0.848 154 L CB 1.231 43.232 42.059 -0.097 0.000 1.226 154 L HN 0.196 nan 8.230 nan 0.000 0.429 155 T N 2.993 117.509 114.554 -0.064 0.000 2.912 155 T HA 0.490 4.837 4.350 -0.004 0.000 0.299 155 T C -0.984 173.715 174.700 -0.000 0.000 1.052 155 T CA -0.309 61.782 62.100 -0.015 0.000 0.996 155 T CB 1.842 70.721 68.868 0.018 0.000 1.070 155 T HN 0.123 nan 8.240 nan 0.000 0.465 156 V N 4.015 123.944 119.914 0.025 0.000 2.407 156 V HA 0.724 4.841 4.120 -0.004 0.000 0.278 156 V C 0.585 176.747 176.094 0.113 0.000 1.037 156 V CA -0.726 61.605 62.300 0.052 0.000 0.900 156 V CB 1.078 32.926 31.823 0.042 0.000 0.983 156 V HN 1.084 nan 8.190 nan 0.000 0.459 157 A N 3.765 126.678 122.820 0.155 0.000 2.276 157 A HA 0.541 4.859 4.320 -0.004 0.000 0.300 157 A C -0.350 177.395 177.584 0.269 0.000 1.235 157 A CA -0.359 51.832 52.037 0.257 0.000 0.867 157 A CB -0.081 19.135 19.000 0.360 0.000 1.137 157 A HN 1.021 nan 8.150 nan 0.000 0.527 158 H N 2.172 121.330 119.070 0.148 0.000 2.548 158 H HA 0.500 5.053 4.556 -0.004 0.000 0.331 158 H C 0.925 176.274 175.328 0.035 0.000 1.093 158 H CA 1.255 57.353 56.048 0.083 0.000 1.367 158 H CB 0.726 30.518 29.762 0.050 0.000 1.455 158 H HN 1.514 nan 8.280 nan 0.000 0.519 159 G N 3.682 112.088 108.800 -0.657 0.000 2.804 159 G HA2 -0.315 3.642 3.960 -0.004 0.000 0.230 159 G HA3 -0.315 3.642 3.960 -0.004 0.000 0.230 159 G C 0.711 175.333 174.900 -0.464 0.000 1.386 159 G CA 0.256 45.016 45.100 -0.567 0.000 0.875 159 G HN 0.891 nan 8.290 nan 0.000 0.557 160 E N -0.514 119.436 120.200 -0.416 0.000 2.478 160 E HA 0.056 4.404 4.350 -0.004 0.000 0.198 160 E C 2.101 178.372 176.600 -0.549 0.000 1.046 160 E CA 0.996 57.092 56.400 -0.506 0.000 0.870 160 E CB 0.057 29.662 29.700 -0.158 0.000 0.818 160 E HN 0.554 nan 8.360 nan 0.000 0.527 161 R N -0.250 120.006 120.500 -0.407 0.000 2.290 161 R HA 0.193 4.531 4.340 -0.004 0.000 0.197 161 R C -0.363 175.953 176.300 0.026 0.000 0.913 161 R CA 0.056 56.029 56.100 -0.213 0.000 1.040 161 R CB -0.028 30.032 30.300 -0.399 0.000 0.992 161 R HN 0.103 nan 8.270 nan 0.000 0.500 162 F N 1.511 121.555 119.950 0.156 0.000 3.030 162 F HA -0.202 4.322 4.527 -0.005 0.000 0.309 162 F C -0.844 175.066 175.800 0.183 0.000 0.941 162 F CA -0.030 58.100 58.000 0.217 0.000 1.082 162 F CB -1.461 37.761 39.000 0.371 0.000 1.113 162 F HN 0.061 nan 8.300 nan 0.000 0.716 163 D N 1.665 122.212 120.400 0.244 0.000 2.338 163 D HA 0.189 4.826 4.640 -0.004 0.000 0.255 163 D C 0.821 177.241 176.300 0.200 0.000 1.237 163 D CA 0.381 54.483 54.000 0.170 0.000 0.883 163 D CB 1.115 41.986 40.800 0.117 0.000 1.087 163 D HN 0.302 nan 8.370 nan 0.000 0.485 164 T N -1.665 113.002 114.554 0.190 0.000 2.904 164 T HA 0.461 4.808 4.350 -0.004 0.000 0.290 164 T C 1.251 176.027 174.700 0.127 0.000 1.018 164 T CA -0.235 61.970 62.100 0.174 0.000 1.075 164 T CB 1.579 70.559 68.868 0.188 0.000 0.986 164 T HN 0.545 nan 8.240 nan 0.000 0.523 165 G N 0.440 109.303 108.800 0.106 0.000 2.198 165 G HA2 -0.097 3.861 3.960 -0.004 0.000 0.260 165 G HA3 -0.097 3.861 3.960 -0.004 0.000 0.260 165 G C 0.089 175.030 174.900 0.068 0.000 1.025 165 G CA 0.363 45.515 45.100 0.085 0.000 0.769 165 G HN 1.880 nan 8.290 nan 0.000 0.507 166 V N -4.275 115.675 119.914 0.060 0.000 3.158 166 V HA 1.002 5.119 4.120 -0.004 0.000 0.311 166 V C -0.099 175.998 176.094 0.006 0.000 1.181 166 V CA -0.125 62.188 62.300 0.022 0.000 1.054 166 V CB 2.117 33.937 31.823 -0.004 0.000 1.085 166 V HN 0.898 nan 8.190 nan 0.000 0.446 167 T N 0.389 114.923 114.554 -0.033 0.000 2.912 167 T HA 0.416 4.763 4.350 -0.004 0.000 0.299 167 T C -1.082 173.543 174.700 -0.124 0.000 1.052 167 T CA -0.351 61.719 62.100 -0.050 0.000 0.996 167 T CB 1.705 70.582 68.868 0.015 0.000 1.070 167 T HN 1.098 nan 8.240 nan 0.000 0.465 168 E N 3.282 123.373 120.200 -0.182 0.000 2.152 168 E HA 0.495 4.842 4.350 -0.004 0.000 0.285 168 E C -0.770 175.790 176.600 -0.066 0.000 1.043 168 E CA -0.601 55.691 56.400 -0.179 0.000 0.839 168 E CB 0.711 30.258 29.700 -0.255 0.000 1.069 168 E HN 0.429 nan 8.360 nan 0.000 0.399 169 V N 3.448 123.334 119.914 -0.048 0.000 2.481 169 V HA 0.328 4.445 4.120 -0.004 0.000 0.286 169 V C -0.123 175.965 176.094 -0.011 0.000 1.042 169 V CA -0.640 61.648 62.300 -0.020 0.000 0.928 169 V CB 1.615 33.428 31.823 -0.017 0.000 0.986 169 V HN 0.596 nan 8.190 nan 0.000 0.462 170 S N 3.068 118.768 115.700 -0.001 0.000 2.561 170 S HA 0.695 5.162 4.470 -0.004 0.000 0.303 170 S C -0.573 174.030 174.600 0.005 0.000 1.110 170 S CA -0.604 57.598 58.200 0.004 0.000 1.034 170 S CB 1.837 65.042 63.200 0.009 0.000 1.010 170 S HN 0.504 nan 8.310 nan 0.000 0.482 171 V N 2.762 122.679 119.914 0.006 0.000 2.409 171 V HA 0.575 4.693 4.120 -0.004 0.000 0.291 171 V C -0.082 176.016 176.094 0.006 0.000 1.020 171 V CA -0.548 61.755 62.300 0.006 0.000 0.848 171 V CB 1.571 33.398 31.823 0.006 0.000 0.990 171 V HN 0.842 nan 8.190 nan 0.000 0.430 172 T N 7.394 121.952 114.554 0.006 0.000 2.829 172 T HA 0.549 4.896 4.350 -0.004 0.000 0.280 172 T C -2.672 172.031 174.700 0.005 0.000 0.999 172 T CA -1.139 60.964 62.100 0.006 0.000 0.983 172 T CB 2.294 71.166 68.868 0.007 0.000 0.968 172 T HN 0.514 nan 8.240 nan 0.000 0.446 173 P HA 0.562 nan 4.420 nan 0.000 0.281 173 P C -0.699 176.604 177.300 0.004 0.000 1.249 173 P CA -0.434 62.669 63.100 0.004 0.000 0.810 173 P CB 1.148 32.850 31.700 0.004 0.000 1.008 174 A N 1.821 124.643 122.820 0.003 0.000 3.936 174 A HA 0.780 5.097 4.320 -0.004 0.000 0.160 174 A C -0.008 177.578 177.584 0.003 0.000 1.286 174 A CA -0.191 51.848 52.037 0.003 0.000 1.236 174 A CB -0.401 18.601 19.000 0.003 0.000 1.604 174 A HN 0.563 nan 8.150 nan 0.000 0.674 175 A N -0.077 122.745 122.820 0.002 0.000 2.316 175 A HA 0.499 4.816 4.320 -0.004 0.000 0.284 175 A C 0.224 177.809 177.584 0.002 0.000 1.115 175 A CA -0.206 51.833 52.037 0.002 0.000 0.812 175 A CB -0.128 18.873 19.000 0.002 0.000 1.064 175 A HN 0.691 nan 8.150 nan 0.000 0.489 176 E N 0.826 121.027 120.200 0.002 0.000 2.694 176 E HA 0.224 4.571 4.350 -0.004 0.000 0.250 176 E C 1.186 177.787 176.600 0.002 0.000 0.963 176 E CA 1.198 57.599 56.400 0.002 0.000 0.949 176 E CB -0.150 29.551 29.700 0.002 0.000 0.911 176 E HN 1.422 nan 8.360 nan 0.000 0.500 177 G N 3.944 112.745 108.800 0.002 0.000 2.259 177 G HA2 -0.251 3.706 3.960 -0.004 0.000 0.217 177 G HA3 -0.251 3.706 3.960 -0.004 0.000 0.217 177 G C -0.023 174.878 174.900 0.001 0.000 1.001 177 G CA 0.112 45.212 45.100 0.001 0.000 0.627 177 G HN 0.590 nan 8.290 nan 0.000 0.501 178 E N 2.530 122.731 120.200 0.001 0.000 2.313 178 E HA 0.448 4.795 4.350 -0.004 0.000 0.272 178 E C -2.211 174.390 176.600 0.001 0.000 1.038 178 E CA -1.837 54.563 56.400 0.001 0.000 0.863 178 E CB 1.512 31.213 29.700 0.002 0.000 1.060 178 E HN 0.199 nan 8.360 nan 0.000 0.402 179 P HA -0.023 nan 4.420 nan 0.000 0.269 179 P C -0.944 176.357 177.300 0.002 0.000 1.209 179 P CA -0.050 63.051 63.100 0.001 0.000 0.776 179 P CB 0.660 32.360 31.700 0.000 0.000 0.876 180 A N 2.017 124.838 122.820 0.002 0.000 2.332 180 A HA 0.188 4.505 4.320 -0.004 0.000 0.258 180 A C 0.119 177.705 177.584 0.003 0.000 1.087 180 A CA -0.212 51.826 52.037 0.003 0.000 0.802 180 A CB -0.321 18.681 19.000 0.003 0.000 1.042 180 A HN 0.553 nan 8.150 nan 0.000 0.489 181 D N 0.717 121.119 120.400 0.004 0.000 2.316 181 D HA 0.416 5.053 4.640 -0.004 0.000 0.245 181 D C -0.699 175.603 176.300 0.004 0.000 1.171 181 D CA 0.058 54.060 54.000 0.004 0.000 0.856 181 D CB 0.713 41.516 40.800 0.005 0.000 1.090 181 D HN 0.181 nan 8.370 nan 0.000 0.476 182 V N 3.899 123.815 119.914 0.004 0.000 2.398 182 V HA 0.363 4.480 4.120 -0.004 0.000 0.286 182 V C -0.215 175.883 176.094 0.006 0.000 1.026 182 V CA -0.833 61.469 62.300 0.003 0.000 0.868 182 V CB 1.672 33.495 31.823 0.000 0.000 0.982 182 V HN 0.529 nan 8.190 nan 0.000 0.443 183 D N 3.207 123.612 120.400 0.008 0.000 2.217 183 D HA 0.485 5.122 4.640 -0.004 0.000 0.243 183 D C 0.662 176.969 176.300 0.012 0.000 1.054 183 D CA -0.402 53.605 54.000 0.013 0.000 0.838 183 D CB 2.091 42.900 40.800 0.016 0.000 1.162 183 D HN 0.348 nan 8.370 nan 0.000 0.472 184 L N 1.794 123.027 121.223 0.017 0.000 2.592 184 L HA 0.249 4.587 4.340 -0.004 0.000 0.227 184 L C 1.468 178.354 176.870 0.028 0.000 1.127 184 L CA 0.197 55.048 54.840 0.018 0.000 0.884 184 L CB -0.690 41.382 42.059 0.021 0.000 1.065 184 L HN 0.714 nan 8.230 nan 0.000 0.457 185 G N 0.628 109.448 108.800 0.034 0.000 2.527 185 G HA2 -0.404 3.554 3.960 -0.004 0.000 0.268 185 G HA3 -0.404 3.554 3.960 -0.004 0.000 0.268 185 G C 0.886 175.828 174.900 0.070 0.000 1.175 185 G CA 0.297 45.423 45.100 0.044 0.000 0.962 185 G HN 0.238 nan 8.290 nan 0.000 0.560 186 A N -0.431 122.437 122.820 0.080 0.000 1.978 186 A HA 0.295 4.612 4.320 -0.004 0.000 0.220 186 A C 2.791 180.457 177.584 0.138 0.000 1.170 186 A CA 3.338 55.437 52.037 0.104 0.000 0.636 186 A CB -0.858 18.201 19.000 0.099 0.000 0.810 186 A HN 2.367 nan 8.150 nan 0.000 0.448 187 A N -0.331 122.559 122.820 0.117 0.000 2.252 187 A HA 0.148 4.465 4.320 -0.004 0.000 0.207 187 A C 0.488 178.140 177.584 0.113 0.000 1.194 187 A CA -0.129 51.999 52.037 0.152 0.000 0.809 187 A CB -0.244 18.855 19.000 0.163 0.000 0.814 187 A HN 0.416 nan 8.150 nan 0.000 0.482 188 E N -0.110 120.156 120.200 0.110 0.000 2.493 188 E HA 0.236 4.584 4.350 -0.004 0.000 0.255 188 E C 1.222 177.880 176.600 0.098 0.000 0.999 188 E CA 1.118 57.572 56.400 0.090 0.000 0.934 188 E CB 0.264 30.021 29.700 0.096 0.000 0.940 188 E HN 0.672 nan 8.360 nan 0.000 0.473 189 G N 3.232 112.042 108.800 0.016 0.000 2.176 189 G HA2 -0.371 3.587 3.960 -0.004 0.000 0.253 189 G HA3 -0.371 3.587 3.960 -0.004 0.000 0.253 189 G C 0.488 175.256 174.900 -0.222 0.000 0.979 189 G CA 0.653 45.732 45.100 -0.034 0.000 0.641 189 G HN 0.601 nan 8.290 nan 0.000 0.530 190 Y N 0.797 120.855 120.300 -0.403 0.000 2.687 190 Y HA 0.716 5.263 4.550 -0.005 0.000 0.246 190 Y C 1.874 177.671 175.900 -0.172 0.000 1.061 190 Y CA 1.488 59.359 58.100 -0.382 0.000 1.400 190 Y CB -0.369 37.837 38.460 -0.423 0.000 1.325 190 Y HN 0.656 nan 8.280 nan 0.000 0.498 191 A N 1.815 124.507 122.820 -0.213 0.000 2.448 191 A HA 0.208 4.526 4.320 -0.004 0.000 0.239 191 A C -0.080 177.410 177.584 -0.157 0.000 1.080 191 A CA -0.260 51.639 52.037 -0.229 0.000 0.779 191 A CB -0.121 18.841 19.000 -0.064 0.000 1.026 191 A HN 0.516 nan 8.150 nan 0.000 0.499 192 E N -0.548 119.568 120.200 -0.140 0.000 2.248 192 E HA 0.418 4.766 4.350 -0.004 0.000 0.272 192 E C -1.311 175.252 176.600 -0.062 0.000 1.008 192 E CA -0.635 55.709 56.400 -0.094 0.000 0.856 192 E CB 1.784 31.428 29.700 -0.093 0.000 1.120 192 E HN 0.438 nan 8.360 nan 0.000 0.397 193 L N 2.325 123.521 121.223 -0.045 0.000 2.313 193 L HA 0.299 4.636 4.340 -0.004 0.000 0.283 193 L C -0.800 176.053 176.870 -0.027 0.000 1.013 193 L CA -0.234 54.588 54.840 -0.031 0.000 0.816 193 L CB 1.337 43.383 42.059 -0.020 0.000 1.236 193 L HN 0.281 nan 8.230 nan 0.000 0.419 194 D N 3.010 123.395 120.400 -0.025 0.000 2.434 194 D HA 0.202 4.839 4.640 -0.004 0.000 0.275 194 D C -0.889 175.402 176.300 -0.015 0.000 1.172 194 D CA -0.243 53.744 54.000 -0.020 0.000 0.916 194 D CB 0.212 40.998 40.800 -0.023 0.000 1.041 194 D HN 0.404 nan 8.370 nan 0.000 0.501 195 N N 2.028 120.721 118.700 -0.012 0.000 2.437 195 N HA 0.189 4.927 4.740 -0.004 0.000 0.243 195 N C 0.282 175.788 175.510 -0.006 0.000 1.041 195 N CA -0.115 52.931 53.050 -0.008 0.000 0.940 195 N CB 0.573 39.056 38.487 -0.006 0.000 1.133 195 N HN 0.224 nan 8.380 nan 0.000 0.506 196 R N 1.541 122.038 120.500 -0.005 0.000 2.476 196 R HA 0.295 4.632 4.340 -0.004 0.000 0.276 196 R C -0.080 176.219 176.300 -0.001 0.000 0.941 196 R CA -0.324 55.774 56.100 -0.003 0.000 1.088 196 R CB 0.184 30.482 30.300 -0.004 0.000 1.216 196 R HN 0.463 nan 8.270 nan 0.000 0.533 197 A N 1.430 124.250 122.820 -0.000 0.000 2.425 197 A HA 0.406 4.723 4.320 -0.004 0.000 0.249 197 A C 0.089 177.674 177.584 0.001 0.000 1.084 197 A CA -0.128 51.910 52.037 0.001 0.000 0.781 197 A CB 0.878 19.879 19.000 0.002 0.000 1.019 197 A HN 0.012 nan 8.150 nan 0.000 0.490 198 V N 1.591 121.507 119.914 0.002 0.000 3.046 198 V HA 0.660 4.777 4.120 -0.004 0.000 0.316 198 V C 0.177 176.273 176.094 0.003 0.000 1.104 198 V CA -0.391 61.910 62.300 0.002 0.000 1.006 198 V CB 2.482 34.306 31.823 0.002 0.000 1.058 198 V HN 0.961 nan 8.190 nan 0.000 0.440 199 T N 3.661 118.217 114.554 0.003 0.000 2.771 199 T HA 0.624 4.972 4.350 -0.004 0.000 0.291 199 T C 0.175 174.877 174.700 0.003 0.000 0.954 199 T CA 0.310 62.412 62.100 0.003 0.000 1.045 199 T CB 1.068 69.938 68.868 0.003 0.000 0.917 199 T HN 1.061 nan 8.240 nan 0.000 0.484 200 G N 1.145 109.947 108.800 0.003 0.000 2.521 200 G HA2 0.650 4.607 3.960 -0.004 0.000 0.323 200 G HA3 0.650 4.607 3.960 -0.004 0.000 0.323 200 G C -0.095 174.807 174.900 0.003 0.000 1.211 200 G CA -0.899 44.203 45.100 0.003 0.000 0.979 200 G HN 0.967 nan 8.290 nan 0.000 0.490 201 A N -0.545 122.276 122.820 0.003 0.000 2.507 201 A HA 0.542 4.859 4.320 -0.004 0.000 0.235 201 A C 1.097 178.682 177.584 0.003 0.000 1.070 201 A CA 0.478 52.516 52.037 0.002 0.000 0.768 201 A CB -0.226 18.775 19.000 0.002 0.000 1.011 201 A HN 1.957 nan 8.150 nan 0.000 0.502 202 A N 0.610 123.431 122.820 0.002 0.000 2.524 202 A HA 0.480 4.797 4.320 -0.004 0.000 0.250 202 A C 1.627 179.212 177.584 0.002 0.000 1.078 202 A CA 0.785 52.823 52.037 0.002 0.000 0.761 202 A CB -0.969 18.033 19.000 0.002 0.000 1.012 202 A HN 2.772 nan 8.150 nan 0.000 0.500 203 G N 1.758 110.559 108.800 0.003 0.000 2.179 203 G HA2 -0.210 3.747 3.960 -0.004 0.000 0.260 203 G HA3 -0.210 3.747 3.960 -0.004 0.000 0.260 203 G C 0.711 175.613 174.900 0.003 0.000 0.977 203 G CA 1.084 46.186 45.100 0.002 0.000 0.641 203 G HN 2.142 nan 8.290 nan 0.000 0.533 204 S N -0.099 115.603 115.700 0.003 0.000 2.641 204 S HA 0.747 5.215 4.470 -0.004 0.000 0.261 204 S C 0.692 175.294 174.600 0.003 0.000 1.257 204 S CA 0.517 58.719 58.200 0.003 0.000 0.983 204 S CB 1.576 64.778 63.200 0.003 0.000 0.990 204 S HN 1.918 nan 8.310 nan 0.000 0.572 205 A N 1.446 124.269 122.820 0.004 0.000 2.328 205 A HA 0.388 4.705 4.320 -0.004 0.000 0.284 205 A C 0.356 177.943 177.584 0.005 0.000 1.160 205 A CA -0.681 51.359 52.037 0.004 0.000 0.818 205 A CB -0.294 18.709 19.000 0.004 0.000 1.087 205 A HN 0.798 nan 8.150 nan 0.000 0.504 206 N N 2.058 120.761 118.700 0.005 0.000 2.416 206 N HA 0.057 4.794 4.740 -0.004 0.000 0.265 206 N C 0.558 176.073 175.510 0.008 0.000 1.195 206 N CA 1.013 54.067 53.050 0.007 0.000 0.943 206 N CB 0.605 39.096 38.487 0.007 0.000 1.115 206 N HN 0.684 nan 8.380 nan 0.000 0.481 207 T N 1.262 115.821 114.554 0.009 0.000 3.339 207 T HA 0.204 4.551 4.350 -0.004 0.000 0.292 207 T C 0.314 175.021 174.700 0.012 0.000 1.012 207 T CA -0.550 61.556 62.100 0.010 0.000 0.937 207 T CB -0.325 68.548 68.868 0.009 0.000 1.164 207 T HN 0.206 nan 8.240 nan 0.000 0.509 208 L N 2.383 123.614 121.223 0.013 0.000 2.319 208 L HA 0.582 4.919 4.340 -0.004 0.000 0.280 208 L C -0.582 176.300 176.870 0.021 0.000 1.099 208 L CA -0.116 54.733 54.840 0.014 0.000 0.828 208 L CB 0.982 43.048 42.059 0.013 0.000 1.150 208 L HN 0.174 nan 8.230 nan 0.000 0.442 209 V N 6.567 126.494 119.914 0.021 0.000 2.555 209 V HA 0.486 4.604 4.120 -0.004 0.000 0.302 209 V C -0.117 175.992 176.094 0.024 0.000 1.038 209 V CA -0.547 61.771 62.300 0.030 0.000 0.887 209 V CB 1.891 33.733 31.823 0.031 0.000 0.991 209 V HN 0.526 nan 8.190 nan 0.000 0.434 210 I N 3.721 124.311 120.570 0.033 0.000 2.418 210 I HA 0.518 4.685 4.170 -0.004 0.000 0.287 210 I C -0.915 175.201 176.117 -0.001 0.000 1.008 210 I CA -0.238 61.071 61.300 0.014 0.000 1.104 210 I CB 1.831 39.840 38.000 0.015 0.000 1.264 210 I HN 0.543 nan 8.210 nan 0.000 0.438 211 D N 4.735 125.118 120.400 -0.028 0.000 2.527 211 D HA 0.425 5.062 4.640 -0.004 0.000 0.233 211 D C -0.848 175.402 176.300 -0.084 0.000 1.063 211 D CA -0.718 53.245 54.000 -0.062 0.000 0.880 211 D CB 2.215 42.994 40.800 -0.034 0.000 1.457 211 D HN 0.380 nan 8.370 nan 0.000 0.475 212 R N 2.664 123.091 120.500 -0.123 0.000 2.358 212 R HA 0.454 4.791 4.340 -0.004 0.000 0.309 212 R C -2.492 173.757 176.300 -0.084 0.000 1.026 212 R CA -1.752 54.288 56.100 -0.099 0.000 0.909 212 R CB 1.154 31.389 30.300 -0.109 0.000 1.153 212 R HN 0.237 nan 8.270 nan 0.000 0.515 213 P HA -0.108 nan 4.420 nan 0.000 0.265 213 P C -0.441 176.839 177.300 -0.033 0.000 1.193 213 P CA -0.237 62.840 63.100 -0.039 0.000 0.765 213 P CB 0.820 32.502 31.700 -0.030 0.000 0.823 214 V N 4.184 124.085 119.914 -0.020 0.000 2.493 214 V HA 0.265 4.383 4.120 -0.004 0.000 0.292 214 V C 1.327 177.418 176.094 -0.005 0.000 1.016 214 V CA 1.809 64.104 62.300 -0.008 0.000 1.097 214 V CB -0.739 31.089 31.823 0.008 0.000 0.947 214 V HN 0.981 nan 8.190 nan 0.000 0.479 215 G N 3.697 112.496 108.800 -0.002 0.000 2.136 215 G HA2 -0.206 3.751 3.960 -0.004 0.000 0.242 215 G HA3 -0.206 3.751 3.960 -0.004 0.000 0.242 215 G C 0.190 175.081 174.900 -0.015 0.000 0.989 215 G CA 0.611 45.711 45.100 -0.001 0.000 0.682 215 G HN 1.593 nan 8.290 nan 0.000 0.522 216 T N -3.122 111.416 114.554 -0.025 0.000 2.910 216 T HA 0.661 5.009 4.350 -0.004 0.000 0.287 216 T C -0.139 174.527 174.700 -0.057 0.000 1.050 216 T CA -0.310 61.765 62.100 -0.042 0.000 1.011 216 T CB 2.173 71.015 68.868 -0.044 0.000 1.195 216 T HN 0.235 nan 8.240 nan 0.000 0.540 217 N N 0.140 118.789 118.700 -0.086 0.000 2.660 217 N HA 0.350 5.087 4.740 -0.004 0.000 0.316 217 N C -1.380 174.055 175.510 -0.125 0.000 1.774 217 N CA -0.318 52.659 53.050 -0.122 0.000 0.946 217 N CB 0.397 38.760 38.487 -0.206 0.000 1.322 217 N HN 0.692 nan 8.380 nan 0.000 0.492 218 T N 1.189 115.692 114.554 -0.086 0.000 2.848 218 T HA 0.399 4.747 4.350 -0.004 0.000 0.285 218 T C -0.314 174.351 174.700 -0.059 0.000 0.995 218 T CA -0.524 61.533 62.100 -0.072 0.000 0.970 218 T CB 1.035 69.867 68.868 -0.061 0.000 0.976 218 T HN -0.004 nan 8.240 nan 0.000 0.441 219 I N 3.233 123.773 120.570 -0.051 0.000 2.322 219 I HA 0.450 4.618 4.170 -0.004 0.000 0.292 219 I C 0.590 176.686 176.117 -0.034 0.000 1.060 219 I CA -0.830 60.444 61.300 -0.042 0.000 1.309 219 I CB 0.093 38.073 38.000 -0.032 0.000 1.415 219 I HN 0.681 nan 8.210 nan 0.000 0.492 220 A N 7.576 130.377 122.820 -0.033 0.000 2.258 220 A HA 0.690 5.007 4.320 -0.004 0.000 0.316 220 A C -0.382 177.192 177.584 -0.016 0.000 1.279 220 A CA -0.470 51.553 52.037 -0.024 0.000 0.876 220 A CB 0.754 19.740 19.000 -0.024 0.000 1.170 220 A HN 0.433 nan 8.150 nan 0.000 0.520 221 V N 2.869 122.777 119.914 -0.011 0.000 2.459 221 V HA 0.745 4.863 4.120 -0.004 0.000 0.295 221 V C 0.367 176.460 176.094 -0.001 0.000 1.029 221 V CA -0.195 62.103 62.300 -0.004 0.000 0.874 221 V CB 1.361 33.182 31.823 -0.003 0.000 0.985 221 V HN 1.066 nan 8.190 nan 0.000 0.438 222 T N 0.502 115.058 114.554 0.003 0.000 2.887 222 T HA 0.963 5.311 4.350 -0.004 0.000 0.292 222 T C 0.080 174.783 174.700 0.006 0.000 1.087 222 T CA -0.147 61.955 62.100 0.004 0.000 1.009 222 T CB 1.889 70.759 68.868 0.004 0.000 1.203 222 T HN 1.992 nan 8.240 nan 0.000 0.518 223 G N 0.387 109.191 108.800 0.006 0.000 2.549 223 G HA2 0.219 4.176 3.960 -0.004 0.000 0.404 223 G HA3 0.219 4.176 3.960 -0.004 0.000 0.404 223 G C -0.607 174.296 174.900 0.006 0.000 1.292 223 G CA -0.402 44.702 45.100 0.007 0.000 0.935 223 G HN 1.075 nan 8.290 nan 0.000 0.512 224 S N -0.919 114.785 115.700 0.006 0.000 2.501 224 S HA 0.701 5.169 4.470 -0.004 0.000 0.301 224 S C -0.532 174.072 174.600 0.006 0.000 1.096 224 S CA -0.433 57.770 58.200 0.005 0.000 1.063 224 S CB 1.497 64.700 63.200 0.005 0.000 1.042 224 S HN 1.013 nan 8.310 nan 0.000 0.494 225 L N 5.549 126.775 121.223 0.005 0.000 2.298 225 L HA 0.528 4.866 4.340 -0.004 0.000 0.284 225 L C -2.569 174.304 176.870 0.004 0.000 1.013 225 L CA -1.979 52.864 54.840 0.005 0.000 0.824 225 L CB 1.328 43.390 42.059 0.005 0.000 1.221 225 L HN 0.352 nan 8.230 nan 0.000 0.418 226 P HA 0.061 nan 4.420 nan 0.000 0.266 226 P C 0.106 177.408 177.300 0.004 0.000 1.195 226 P CA 0.060 63.163 63.100 0.004 0.000 0.768 226 P CB 0.876 32.579 31.700 0.004 0.000 0.838 227 A N 3.451 126.273 122.820 0.003 0.000 2.076 227 A HA -0.197 4.120 4.320 -0.004 0.000 0.220 227 A C 1.283 178.869 177.584 0.003 0.000 1.160 227 A CA 2.028 54.067 52.037 0.003 0.000 0.653 227 A CB -1.010 17.992 19.000 0.003 0.000 0.801 227 A HN 0.641 nan 8.150 nan 0.000 0.455 228 D N -0.939 119.462 120.400 0.003 0.000 2.368 228 D HA 0.441 5.079 4.640 -0.004 0.000 0.218 228 D C 0.402 176.704 176.300 0.003 0.000 1.112 228 D CA 0.375 54.377 54.000 0.003 0.000 0.834 228 D CB -0.435 40.366 40.800 0.003 0.000 0.953 228 D HN 0.337 nan 8.370 nan 0.000 0.505 229 A N 0.462 123.284 122.820 0.004 0.000 2.316 229 A HA 0.663 4.980 4.320 -0.004 0.000 0.284 229 A C 0.548 178.135 177.584 0.004 0.000 1.115 229 A CA -0.337 51.702 52.037 0.004 0.000 0.812 229 A CB 0.525 19.528 19.000 0.004 0.000 1.064 229 A HN 0.342 nan 8.150 nan 0.000 0.489 230 A N 3.504 126.327 122.820 0.005 0.000 2.520 230 A HA 0.510 4.827 4.320 -0.004 0.000 0.245 230 A C -2.043 175.544 177.584 0.006 0.000 1.072 230 A CA -0.843 51.197 52.037 0.005 0.000 0.761 230 A CB -0.853 18.150 19.000 0.005 0.000 1.004 230 A HN 0.659 nan 8.150 nan 0.000 0.499 231 P HA 0.206 nan 4.420 nan 0.000 0.267 231 P C -0.660 176.644 177.300 0.007 0.000 1.201 231 P CA -0.064 63.040 63.100 0.007 0.000 0.775 231 P CB 0.451 32.155 31.700 0.007 0.000 0.854 232 V N 2.238 122.156 119.914 0.007 0.000 2.483 232 V HA 0.490 4.607 4.120 -0.004 0.000 0.295 232 V C 0.428 176.526 176.094 0.007 0.000 1.035 232 V CA -0.279 62.026 62.300 0.007 0.000 0.896 232 V CB 1.651 33.479 31.823 0.009 0.000 0.986 232 V HN 0.748 nan 8.190 nan 0.000 0.447 233 T N 1.444 116.001 114.554 0.006 0.000 2.912 233 T HA 0.913 5.261 4.350 -0.004 0.000 0.288 233 T C -0.553 174.147 174.700 -0.000 0.000 1.030 233 T CA -0.659 61.442 62.100 0.001 0.000 1.020 233 T CB 2.084 70.953 68.868 0.002 0.000 1.056 233 T HN 1.233 nan 8.240 nan 0.000 0.480 234 A N 2.566 125.381 122.820 -0.009 0.000 2.491 234 A HA 0.621 4.938 4.320 -0.004 0.000 0.293 234 A C -0.749 176.818 177.584 -0.029 0.000 1.047 234 A CA -0.935 51.102 52.037 -0.001 0.000 0.735 234 A CB 0.998 20.011 19.000 0.022 0.000 1.281 234 A HN 0.936 nan 8.150 nan 0.000 0.398 235 L N 3.050 124.254 121.223 -0.033 0.000 2.367 235 L HA 0.467 4.805 4.340 -0.004 0.000 0.275 235 L C 0.258 177.112 176.870 -0.027 0.000 1.129 235 L CA -0.242 54.560 54.840 -0.064 0.000 0.839 235 L CB 0.370 42.390 42.059 -0.066 0.000 1.133 235 L HN 0.607 nan 8.230 nan 0.000 0.453 236 R N 1.280 121.749 120.500 -0.052 0.000 2.686 236 R HA 0.404 4.742 4.340 -0.004 0.000 0.283 236 R C -0.329 175.939 176.300 -0.054 0.000 0.978 236 R CA -0.685 55.377 56.100 -0.063 0.000 0.897 236 R CB 2.131 32.391 30.300 -0.066 0.000 1.192 236 R HN 0.704 nan 8.270 nan 0.000 0.457 237 T N -1.577 112.935 114.554 -0.070 0.000 2.828 237 T HA 0.460 4.808 4.350 -0.004 0.000 0.290 237 T C 0.785 175.485 174.700 0.001 0.000 1.019 237 T CA -0.628 61.456 62.100 -0.028 0.000 1.031 237 T CB 0.940 69.784 68.868 -0.040 0.000 1.001 237 T HN 0.376 nan 8.240 nan 0.000 0.531 238 V N -1.595 118.351 119.914 0.053 0.000 3.046 238 V HA 0.676 4.793 4.120 -0.004 0.000 0.316 238 V C -0.632 175.532 176.094 0.115 0.000 1.104 238 V CA -1.281 61.081 62.300 0.103 0.000 1.006 238 V CB 1.678 33.635 31.823 0.224 0.000 1.058 238 V HN 0.939 nan 8.190 nan 0.000 0.440 239 D N 1.544 122.015 120.400 0.118 0.000 2.304 239 D HA 0.265 4.902 4.640 -0.004 0.000 0.250 239 D C -0.143 176.279 176.300 0.202 0.000 1.107 239 D CA 0.662 54.729 54.000 0.111 0.000 0.885 239 D CB 0.381 41.205 40.800 0.040 0.000 1.192 239 D HN 0.785 nan 8.370 nan 0.000 0.436 240 E N 2.682 122.976 120.200 0.157 0.000 2.811 240 E HA -0.152 4.195 4.350 -0.004 0.000 0.150 240 E C -1.922 174.758 176.600 0.134 0.000 1.823 240 E CA 0.059 56.551 56.400 0.154 0.000 0.661 240 E CB -0.716 29.087 29.700 0.173 0.000 1.086 240 E HN 0.504 nan 8.360 nan 0.000 0.354 241 P HA -0.182 nan 4.420 nan 0.000 0.217 241 P C 1.287 178.574 177.300 -0.020 0.000 1.148 241 P CA 2.068 65.190 63.100 0.037 0.000 0.828 241 P CB 0.233 31.965 31.700 0.054 0.000 0.783 242 A N -0.268 122.552 122.820 -0.001 0.000 1.968 242 A HA 0.058 4.375 4.320 -0.004 0.000 0.217 242 A C 2.257 179.819 177.584 -0.037 0.000 1.169 242 A CA 1.556 53.581 52.037 -0.020 0.000 0.638 242 A CB -1.358 17.644 19.000 0.003 0.000 0.812 242 A HN 0.190 nan 8.150 nan 0.000 0.446 243 A N -0.569 122.236 122.820 -0.024 0.000 2.014 243 A HA 0.088 4.406 4.320 -0.004 0.000 0.218 243 A C 2.049 179.441 177.584 -0.321 0.000 1.163 243 A CA 1.494 53.511 52.037 -0.032 0.000 0.652 243 A CB -0.445 18.659 19.000 0.175 0.000 0.808 243 A HN 0.584 nan 8.150 nan 0.000 0.449 244 L N -0.188 120.669 121.223 -0.611 0.000 2.044 244 L HA 0.039 4.377 4.340 -0.004 0.000 0.205 244 L C 2.640 179.372 176.870 -0.231 0.000 1.075 244 L CA 2.128 56.524 54.840 -0.740 0.000 0.747 244 L CB -0.898 40.789 42.059 -0.620 0.000 0.903 244 L HN 0.305 nan 8.230 nan 0.000 0.435 245 A N -0.364 122.375 122.820 -0.135 0.000 1.948 245 A HA -0.152 4.165 4.320 -0.004 0.000 0.220 245 A C 2.305 179.885 177.584 -0.006 0.000 1.177 245 A CA 1.805 53.810 52.037 -0.053 0.000 0.636 245 A CB -1.648 17.316 19.000 -0.060 0.000 0.815 245 A HN 0.570 nan 8.150 nan 0.000 0.449 246 G N -1.117 107.674 108.800 -0.014 0.000 2.453 246 G HA2 -0.292 3.666 3.960 -0.004 0.000 0.215 246 G HA3 -0.292 3.666 3.960 -0.004 0.000 0.215 246 G C 1.460 176.404 174.900 0.074 0.000 1.201 246 G CA 1.406 46.534 45.100 0.047 0.000 0.784 246 G HN 0.794 nan 8.290 nan 0.000 0.545 247 H N 0.548 119.581 119.070 -0.061 0.000 2.353 247 H HA 0.031 4.585 4.556 -0.004 0.000 0.298 247 H C 2.400 177.719 175.328 -0.015 0.000 1.103 247 H CA 1.585 57.608 56.048 -0.041 0.000 1.293 247 H CB -0.302 29.415 29.762 -0.075 0.000 1.372 247 H HN 0.276 nan 8.280 nan 0.000 0.501 248 L N -1.045 120.120 121.223 -0.096 0.000 2.275 248 L HA -0.100 4.237 4.340 -0.004 0.000 0.215 248 L C 1.865 178.724 176.870 -0.019 0.000 1.119 248 L CA 0.667 55.450 54.840 -0.096 0.000 0.790 248 L CB -0.299 41.764 42.059 0.008 0.000 0.919 248 L HN 0.310 nan 8.230 nan 0.000 0.443 249 F N 1.096 120.972 119.950 -0.123 0.000 2.335 249 F HA -0.115 4.410 4.527 -0.004 0.000 0.296 249 F C 2.412 178.155 175.800 -0.096 0.000 1.091 249 F CA 1.238 59.183 58.000 -0.092 0.000 1.399 249 F CB 0.055 39.017 39.000 -0.064 0.000 1.067 249 F HN 0.179 nan 8.300 nan 0.000 0.520 250 E N -0.377 119.716 120.200 -0.178 0.000 2.158 250 E HA -0.167 4.180 4.350 -0.004 0.000 0.191 250 E C 1.804 178.247 176.600 -0.260 0.000 0.982 250 E CA 1.329 57.576 56.400 -0.255 0.000 0.823 250 E CB -0.623 28.994 29.700 -0.139 0.000 0.766 250 E HN 0.495 nan 8.360 nan 0.000 0.468 251 E N 0.789 120.835 120.200 -0.256 0.000 2.085 251 E HA -0.220 4.127 4.350 -0.004 0.000 0.194 251 E C 2.132 178.615 176.600 -0.195 0.000 0.994 251 E CA 1.319 57.589 56.400 -0.217 0.000 0.801 251 E CB -0.190 29.368 29.700 -0.236 0.000 0.743 251 E HN 0.475 nan 8.360 nan 0.000 0.453 252 A N 0.950 123.636 122.820 -0.224 0.000 1.902 252 A HA -0.166 4.151 4.320 -0.004 0.000 0.217 252 A C 2.171 179.582 177.584 -0.287 0.000 1.181 252 A CA 1.035 52.941 52.037 -0.219 0.000 0.623 252 A CB -0.622 18.267 19.000 -0.184 0.000 0.818 252 A HN 0.149 nan 8.150 nan 0.000 0.443 253 L N -1.111 119.845 121.223 -0.446 0.000 2.046 253 L HA -0.206 4.131 4.340 -0.004 0.000 0.208 253 L C 2.688 179.430 176.870 -0.215 0.000 1.077 253 L CA 1.834 56.447 54.840 -0.379 0.000 0.747 253 L CB -0.487 41.305 42.059 -0.445 0.000 0.896 253 L HN 0.403 nan 8.230 nan 0.000 0.432 254 E N -0.326 119.762 120.200 -0.188 0.000 2.110 254 E HA -0.203 4.144 4.350 -0.004 0.000 0.193 254 E C 2.301 178.842 176.600 -0.099 0.000 0.988 254 E CA 1.222 57.547 56.400 -0.124 0.000 0.804 254 E CB -0.060 29.573 29.700 -0.111 0.000 0.745 254 E HN 0.158 nan 8.360 nan 0.000 0.458 255 S N -0.396 115.240 115.700 -0.106 0.000 2.474 255 S HA -0.010 4.457 4.470 -0.004 0.000 0.235 255 S C 1.024 175.583 174.600 -0.069 0.000 0.997 255 S CA 0.668 58.822 58.200 -0.078 0.000 0.949 255 S CB -0.164 62.990 63.200 -0.076 0.000 0.766 255 S HN 0.252 nan 8.310 nan 0.000 0.517 256 N N 0.085 118.734 118.700 -0.085 0.000 2.234 256 N HA 0.197 4.934 4.740 -0.004 0.000 0.227 256 N C 0.912 176.386 175.510 -0.060 0.000 1.151 256 N CA 0.681 53.689 53.050 -0.070 0.000 0.865 256 N CB 0.999 39.437 38.487 -0.081 0.000 1.066 256 N HN 0.476 nan 8.380 nan 0.000 0.515 257 G N 0.275 109.040 108.800 -0.059 0.000 2.176 257 G HA2 -0.263 3.694 3.960 -0.004 0.000 0.253 257 G HA3 -0.263 3.694 3.960 -0.004 0.000 0.253 257 G C 0.029 174.899 174.900 -0.050 0.000 0.979 257 G CA 0.106 45.177 45.100 -0.047 0.000 0.641 257 G HN 0.180 nan 8.290 nan 0.000 0.530 258 V N 1.738 121.611 119.914 -0.068 0.000 2.407 258 V HA 0.599 4.716 4.120 -0.004 0.000 0.278 258 V C 0.557 176.606 176.094 -0.075 0.000 1.037 258 V CA 0.124 62.383 62.300 -0.069 0.000 0.900 258 V CB 1.610 33.382 31.823 -0.085 0.000 0.983 258 V HN 0.288 nan 8.190 nan 0.000 0.459 259 T N 4.640 119.160 114.554 -0.056 0.000 2.749 259 T HA 0.491 4.839 4.350 -0.004 0.000 0.287 259 T C -0.224 174.445 174.700 -0.051 0.000 0.970 259 T CA -0.377 61.692 62.100 -0.052 0.000 0.980 259 T CB 1.341 70.187 68.868 -0.037 0.000 0.924 259 T HN 0.363 nan 8.240 nan 0.000 0.456 260 V N 5.065 124.943 119.914 -0.060 0.000 2.370 260 V HA 0.304 4.421 4.120 -0.004 0.000 0.279 260 V C 0.967 177.036 176.094 -0.043 0.000 1.029 260 V CA -0.692 61.575 62.300 -0.055 0.000 0.870 260 V CB 1.213 32.993 31.823 -0.072 0.000 0.984 260 V HN 0.794 nan 8.190 nan 0.000 0.451 261 K N 2.985 123.365 120.400 -0.033 0.000 2.352 261 K HA 0.257 4.575 4.320 -0.004 0.000 0.194 261 K C 0.964 177.548 176.600 -0.027 0.000 1.038 261 K CA 0.469 56.742 56.287 -0.025 0.000 1.023 261 K CB 0.856 33.347 32.500 -0.015 0.000 0.840 261 K HN 0.722 nan 8.250 nan 0.000 0.519 262 G N 1.009 109.785 108.800 -0.040 0.000 2.641 262 G HA2 0.215 4.172 3.960 -0.004 0.000 0.239 262 G HA3 0.215 4.172 3.960 -0.004 0.000 0.239 262 G C -0.541 174.319 174.900 -0.067 0.000 1.402 262 G CA -0.390 44.679 45.100 -0.051 0.000 1.046 262 G HN -0.091 nan 8.290 nan 0.000 0.565 263 D N -1.356 118.987 120.400 -0.095 0.000 2.478 263 D HA 0.523 5.160 4.640 -0.004 0.000 0.263 263 D C -0.375 175.828 176.300 -0.161 0.000 1.153 263 D CA -0.067 53.875 54.000 -0.096 0.000 1.038 263 D CB 1.902 42.657 40.800 -0.074 0.000 1.120 263 D HN 0.052 nan 8.370 nan 0.000 0.564 264 V N -0.334 119.514 119.914 -0.110 0.000 2.540 264 V HA 0.810 4.927 4.120 -0.004 0.000 0.302 264 V C 0.576 176.624 176.094 -0.076 0.000 1.035 264 V CA -0.457 61.775 62.300 -0.114 0.000 0.873 264 V CB 1.488 33.308 31.823 -0.005 0.000 0.992 264 V HN 0.764 nan 8.190 nan 0.000 0.428 265 G N 2.941 111.680 108.800 -0.101 0.000 2.554 265 G HA2 0.602 4.559 3.960 -0.004 0.000 0.306 265 G HA3 0.602 4.559 3.960 -0.004 0.000 0.306 265 G C -1.623 173.359 174.900 0.137 0.000 1.320 265 G CA -0.916 44.206 45.100 0.037 0.000 0.800 265 G HN 0.570 nan 8.290 nan 0.000 0.481 266 L N 0.125 121.452 121.223 0.174 0.000 2.399 266 L HA 0.740 5.077 4.340 -0.004 0.000 0.266 266 L C 0.828 177.831 176.870 0.221 0.000 1.114 266 L CA 0.100 55.043 54.840 0.173 0.000 0.804 266 L CB 1.288 43.414 42.059 0.110 0.000 1.146 266 L HN 1.139 nan 8.230 nan 0.000 0.451 267 G N 0.406 109.285 108.800 0.132 0.000 2.368 267 G HA2 0.421 4.378 3.960 -0.004 0.000 0.303 267 G HA3 0.421 4.378 3.960 -0.004 0.000 0.303 267 G C -1.243 173.701 174.900 0.073 0.000 1.590 267 G CA -0.285 44.811 45.100 -0.008 0.000 0.938 267 G HN 0.856 nan 8.290 nan 0.000 0.675 268 G N -0.990 107.799 108.800 -0.019 0.000 2.454 268 G HA2 0.700 4.657 3.960 -0.004 0.000 0.329 268 G HA3 0.700 4.657 3.960 -0.004 0.000 0.329 268 G C 0.060 174.693 174.900 -0.444 0.000 1.177 268 G CA -0.555 44.486 45.100 -0.098 0.000 0.951 268 G HN 1.341 nan 8.290 nan 0.000 0.485 269 V N 2.239 121.683 119.914 -0.784 0.000 2.539 269 V HA -0.007 4.110 4.120 -0.004 0.000 0.300 269 V C -0.880 174.667 176.094 -0.912 0.000 1.019 269 V CA -0.289 61.226 62.300 -1.310 0.000 1.160 269 V CB 1.037 32.312 31.823 -0.913 0.000 0.901 269 V HN 0.645 nan 8.190 nan 0.000 0.481 270 P HA -0.187 nan 4.420 nan 0.000 0.221 270 P C 1.203 178.296 177.300 -0.343 0.000 1.141 270 P CA 1.563 64.293 63.100 -0.617 0.000 0.794 270 P CB 0.063 31.385 31.700 -0.630 0.000 0.764 271 A N -0.370 122.259 122.820 -0.318 0.000 4.109 271 A HA -0.318 3.999 4.320 -0.004 0.000 0.250 271 A C 1.522 179.104 177.584 -0.004 0.000 0.772 271 A CA 1.891 53.857 52.037 -0.118 0.000 1.320 271 A CB -2.590 16.350 19.000 -0.100 0.000 1.076 271 A HN 0.459 nan 8.150 nan 0.000 0.723 272 D N -1.488 118.931 120.400 0.032 0.000 2.363 272 D HA 0.121 4.758 4.640 -0.004 0.000 0.226 272 D C 0.215 176.671 176.300 0.260 0.000 1.020 272 D CA 0.225 54.297 54.000 0.120 0.000 0.892 272 D CB -0.413 40.449 40.800 0.104 0.000 0.900 272 D HN 0.585 nan 8.370 nan 0.000 0.531 273 W N 1.403 122.675 121.300 -0.046 0.000 2.368 273 W HA 0.342 4.999 4.660 -0.004 0.000 0.316 273 W C 1.427 177.924 176.519 -0.036 0.000 1.375 273 W CA -0.663 56.656 57.345 -0.043 0.000 1.261 273 W CB 0.924 30.340 29.460 -0.072 0.000 1.298 273 W HN 0.001 nan 8.180 nan 0.000 0.539 274 Q N 1.039 120.918 119.800 0.133 0.000 2.297 274 Q HA -0.037 4.300 4.340 -0.004 0.000 0.203 274 Q C -0.258 175.773 176.000 0.051 0.000 0.931 274 Q CA 1.106 56.951 55.803 0.071 0.000 0.885 274 Q CB 0.312 29.071 28.738 0.034 0.000 0.991 274 Q HN 0.334 nan 8.270 nan 0.000 0.498 275 D N -0.152 120.266 120.400 0.030 0.000 2.472 275 D HA 0.363 5.000 4.640 -0.004 0.000 0.248 275 D C -1.521 174.779 176.300 -0.000 0.000 1.271 275 D CA -0.116 53.893 54.000 0.015 0.000 0.888 275 D CB 0.529 41.323 40.800 -0.010 0.000 1.337 275 D HN 0.248 nan 8.370 nan 0.000 0.526 276 A N 2.068 124.932 122.820 0.074 0.000 2.511 276 A HA 0.367 4.685 4.320 -0.004 0.000 0.242 276 A C 0.438 178.047 177.584 0.043 0.000 1.069 276 A CA -0.042 52.054 52.037 0.098 0.000 0.763 276 A CB 0.458 19.632 19.000 0.289 0.000 1.001 276 A HN 0.397 nan 8.150 nan 0.000 0.498 277 E N 1.743 121.949 120.200 0.011 0.000 2.167 277 E HA 0.418 4.766 4.350 -0.004 0.000 0.284 277 E C -0.851 175.782 176.600 0.055 0.000 1.016 277 E CA -0.152 56.257 56.400 0.015 0.000 0.817 277 E CB 0.903 30.595 29.700 -0.014 0.000 1.080 277 E HN 0.334 nan 8.360 nan 0.000 0.397 278 V N 7.469 127.410 119.914 0.045 0.000 2.389 278 V HA 0.082 4.199 4.120 -0.004 0.000 0.264 278 V C 1.115 177.236 176.094 0.045 0.000 1.049 278 V CA -0.029 62.300 62.300 0.049 0.000 0.932 278 V CB 0.611 32.449 31.823 0.026 0.000 1.011 278 V HN 0.776 nan 8.190 nan 0.000 0.475 279 L N 3.607 124.868 121.223 0.064 0.000 2.513 279 L HA 0.539 4.877 4.340 -0.004 0.000 0.222 279 L C 0.900 177.808 176.870 0.065 0.000 1.096 279 L CA 0.627 55.504 54.840 0.063 0.000 0.857 279 L CB 0.086 42.193 42.059 0.080 0.000 1.026 279 L HN 0.743 nan 8.230 nan 0.000 0.469 280 A N 0.297 123.157 122.820 0.066 0.000 2.604 280 A HA 0.607 4.924 4.320 -0.004 0.000 0.295 280 A C -1.842 175.764 177.584 0.037 0.000 1.067 280 A CA -0.609 51.466 52.037 0.063 0.000 0.683 280 A CB 1.578 20.640 19.000 0.104 0.000 1.281 280 A HN 0.127 nan 8.150 nan 0.000 0.407 281 D N 0.012 120.433 120.400 0.036 0.000 2.622 281 D HA 0.569 5.207 4.640 -0.004 0.000 0.255 281 D C -1.263 175.082 176.300 0.076 0.000 1.246 281 D CA -0.251 53.762 54.000 0.022 0.000 0.795 281 D CB 1.611 42.403 40.800 -0.014 0.000 1.369 281 D HN 0.694 nan 8.370 nan 0.000 0.425 282 H N -1.118 117.918 119.070 -0.057 0.000 2.961 282 H HA 0.604 5.157 4.556 -0.005 0.000 0.371 282 H C -1.543 173.747 175.328 -0.063 0.000 1.190 282 H CA -0.095 55.923 56.048 -0.049 0.000 1.138 282 H CB 2.445 32.181 29.762 -0.045 0.000 1.816 282 H HN 0.339 nan 8.280 nan 0.000 0.551 283 T N 2.798 116.862 114.554 -0.816 0.000 2.848 283 T HA 0.355 4.703 4.350 -0.004 0.000 0.285 283 T C -0.367 173.923 174.700 -0.684 0.000 0.995 283 T CA -0.566 61.195 62.100 -0.565 0.000 0.970 283 T CB 0.993 69.670 68.868 -0.319 0.000 0.976 283 T HN 0.762 nan 8.240 nan 0.000 0.441 284 S N 2.592 118.083 115.700 -0.347 0.000 2.606 284 S HA 0.671 5.138 4.470 -0.004 0.000 0.257 284 S C 0.782 175.305 174.600 -0.129 0.000 1.327 284 S CA -0.576 57.533 58.200 -0.151 0.000 0.984 284 S CB 0.369 63.589 63.200 0.033 0.000 0.941 284 S HN 0.954 nan 8.310 nan 0.000 0.576 285 A N 0.602 123.389 122.820 -0.054 0.000 2.366 285 A HA 0.358 4.676 4.320 -0.004 0.000 0.250 285 A C 0.405 177.962 177.584 -0.044 0.000 1.099 285 A CA -0.476 51.541 52.037 -0.034 0.000 0.794 285 A CB -0.390 18.618 19.000 0.013 0.000 1.056 285 A HN 0.907 nan 8.150 nan 0.000 0.499 286 E N -0.605 119.574 120.200 -0.035 0.000 2.373 286 E HA 0.160 4.507 4.350 -0.004 0.000 0.263 286 E C 0.841 177.454 176.600 0.021 0.000 1.073 286 E CA -0.492 55.881 56.400 -0.044 0.000 0.894 286 E CB 0.662 30.345 29.700 -0.028 0.000 1.008 286 E HN 0.574 nan 8.360 nan 0.000 0.420 287 L N 2.970 124.209 121.223 0.026 0.000 2.081 287 L HA -0.277 4.060 4.340 -0.004 0.000 0.212 287 L C 2.150 179.092 176.870 0.119 0.000 1.080 287 L CA 2.403 57.304 54.840 0.101 0.000 0.754 287 L CB -0.714 41.403 42.059 0.097 0.000 0.893 287 L HN 0.687 nan 8.230 nan 0.000 0.433 288 S N -1.178 114.582 115.700 0.099 0.000 2.359 288 S HA -0.202 4.265 4.470 -0.004 0.000 0.224 288 S C 1.773 176.454 174.600 0.135 0.000 1.035 288 S CA 1.292 59.564 58.200 0.120 0.000 1.018 288 S CB -0.705 62.561 63.200 0.109 0.000 0.876 288 S HN 0.565 nan 8.310 nan 0.000 0.448 289 E N 1.337 121.609 120.200 0.120 0.000 2.208 289 E HA 0.162 4.509 4.350 -0.004 0.000 0.193 289 E C 2.050 178.760 176.600 0.183 0.000 0.988 289 E CA 0.540 57.024 56.400 0.140 0.000 0.828 289 E CB -0.456 29.311 29.700 0.111 0.000 0.763 289 E HN 0.648 nan 8.360 nan 0.000 0.478 290 I N 0.595 121.264 120.570 0.165 0.000 2.617 290 I HA -0.145 4.022 4.170 -0.004 0.000 0.256 290 I C 2.188 178.483 176.117 0.297 0.000 1.167 290 I CA 0.383 61.791 61.300 0.180 0.000 1.469 290 I CB -0.086 37.973 38.000 0.098 0.000 1.098 290 I HN 0.048 nan 8.210 nan 0.000 0.436 291 L N 0.205 121.605 121.223 0.294 0.000 2.265 291 L HA -0.184 4.153 4.340 -0.004 0.000 0.215 291 L C 2.455 179.485 176.870 0.267 0.000 1.117 291 L CA 0.994 56.057 54.840 0.372 0.000 0.782 291 L CB -0.364 41.853 42.059 0.262 0.000 0.914 291 L HN 0.144 nan 8.230 nan 0.000 0.441 292 V N 0.665 120.719 119.914 0.233 0.000 2.229 292 V HA -0.144 3.973 4.120 -0.004 0.000 0.243 292 V C -0.147 176.028 176.094 0.135 0.000 1.042 292 V CA 1.865 64.259 62.300 0.158 0.000 1.000 292 V CB -1.873 30.077 31.823 0.212 0.000 0.637 292 V HN 0.342 nan 8.190 nan 0.000 0.446 293 P HA -0.220 nan 4.420 nan 0.000 0.218 293 P C 1.802 179.335 177.300 0.390 0.000 1.148 293 P CA 1.738 65.076 63.100 0.398 0.000 0.822 293 P CB -0.190 31.968 31.700 0.763 0.000 0.784 294 F N 0.473 120.620 119.950 0.328 0.000 2.046 294 F HA -0.215 4.309 4.527 -0.005 0.000 0.297 294 F C 2.180 178.037 175.800 0.094 0.000 1.123 294 F CA 1.642 59.821 58.000 0.297 0.000 1.199 294 F CB -0.373 38.864 39.000 0.395 0.000 0.972 294 F HN -0.285 nan 8.300 nan 0.000 0.474 295 M N 0.329 119.702 119.600 -0.379 0.000 2.287 295 M HA -0.084 4.394 4.480 -0.004 0.000 0.266 295 M C 1.942 178.009 176.300 -0.388 0.000 1.079 295 M CA 1.132 56.101 55.300 -0.551 0.000 1.146 295 M CB -0.956 31.345 32.600 -0.499 0.000 1.374 295 M HN 0.111 nan 8.290 nan 0.000 0.435 296 K N 0.074 120.229 120.400 -0.408 0.000 2.097 296 K HA -0.092 4.225 4.320 -0.004 0.000 0.206 296 K C 1.550 177.756 176.600 -0.657 0.000 1.049 296 K CA 1.412 57.326 56.287 -0.622 0.000 0.933 296 K CB -0.260 31.666 32.500 -0.957 0.000 0.717 296 K HN 0.303 nan 8.250 nan 0.000 0.442 297 F N -0.130 119.717 119.950 -0.172 0.000 2.682 297 F HA 0.227 4.751 4.527 -0.005 0.000 0.308 297 F C 0.598 176.329 175.800 -0.116 0.000 1.093 297 F CA -0.509 57.401 58.000 -0.150 0.000 1.244 297 F CB 0.187 39.090 39.000 -0.161 0.000 1.052 297 F HN -0.236 nan 8.300 nan 0.000 0.573 298 S N 1.272 116.965 115.700 -0.011 0.000 3.866 298 S HA -0.276 4.191 4.470 -0.004 0.000 0.427 298 S C -0.034 174.604 174.600 0.063 0.000 0.891 298 S CA -0.011 58.167 58.200 -0.037 0.000 1.275 298 S CB -1.932 61.234 63.200 -0.056 0.000 0.872 298 S HN 0.572 nan 8.310 nan 0.000 0.562 299 N N 1.521 120.309 118.700 0.146 0.000 2.405 299 N HA 0.323 5.060 4.740 -0.004 0.000 0.260 299 N C 1.131 176.797 175.510 0.259 0.000 1.152 299 N CA -0.474 52.660 53.050 0.138 0.000 0.948 299 N CB 0.436 38.857 38.487 -0.111 0.000 1.111 299 N HN 0.374 nan 8.380 nan 0.000 0.485 300 N N 2.331 121.142 118.700 0.184 0.000 2.106 300 N HA -0.072 4.665 4.740 -0.004 0.000 0.188 300 N C 1.827 177.496 175.510 0.265 0.000 1.029 300 N CA 1.123 54.304 53.050 0.218 0.000 0.848 300 N CB -0.556 38.015 38.487 0.140 0.000 1.007 300 N HN 0.674 nan 8.380 nan 0.000 0.423 301 G N 0.737 109.671 108.800 0.224 0.000 2.491 301 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.218 301 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.218 301 G C 1.273 176.335 174.900 0.270 0.000 1.180 301 G CA 1.091 46.343 45.100 0.254 0.000 0.774 301 G HN 0.484 nan 8.290 nan 0.000 0.562 302 H N 0.504 119.622 119.070 0.079 0.000 2.319 302 H HA -0.097 4.456 4.556 -0.005 0.000 0.297 302 H C 3.023 178.187 175.328 -0.274 0.000 1.097 302 H CA 0.737 56.698 56.048 -0.145 0.000 1.285 302 H CB 0.037 29.659 29.762 -0.234 0.000 1.368 302 H HN 0.459 nan 8.280 nan 0.000 0.495 303 A N 1.171 124.016 122.820 0.040 0.000 1.902 303 A HA -0.162 4.155 4.320 -0.004 0.000 0.217 303 A C 2.165 179.850 177.584 0.168 0.000 1.181 303 A CA 1.466 53.570 52.037 0.111 0.000 0.623 303 A CB -0.071 19.177 19.000 0.413 0.000 0.818 303 A HN 0.317 nan 8.150 nan 0.000 0.443 304 E N -0.235 120.122 120.200 0.261 0.000 2.107 304 E HA -0.090 4.257 4.350 -0.004 0.000 0.191 304 E C 2.020 178.649 176.600 0.048 0.000 0.982 304 E CA 1.018 57.609 56.400 0.318 0.000 0.809 304 E CB -0.477 29.559 29.700 0.561 0.000 0.756 304 E HN 0.713 nan 8.360 nan 0.000 0.459 305 M N 0.096 119.729 119.600 0.054 0.000 2.229 305 M HA -0.056 4.421 4.480 -0.004 0.000 0.264 305 M C 2.259 178.522 176.300 -0.063 0.000 1.063 305 M CA 0.969 56.293 55.300 0.039 0.000 1.114 305 M CB -0.129 32.513 32.600 0.070 0.000 1.387 305 M HN 0.051 nan 8.290 nan 0.000 0.420 306 L N -0.751 120.416 121.223 -0.094 0.000 2.156 306 L HA -0.125 4.212 4.340 -0.004 0.000 0.208 306 L C 2.357 179.184 176.870 -0.072 0.000 1.095 306 L CA 0.502 55.294 54.840 -0.079 0.000 0.770 306 L CB -0.359 41.632 42.059 -0.114 0.000 0.914 306 L HN 0.107 nan 8.230 nan 0.000 0.439 307 V N 0.255 120.125 119.914 -0.073 0.000 2.255 307 V HA -0.315 3.802 4.120 -0.004 0.000 0.247 307 V C 2.417 178.360 176.094 -0.252 0.000 1.051 307 V CA 1.805 64.058 62.300 -0.079 0.000 1.018 307 V CB -0.485 31.372 31.823 0.056 0.000 0.641 307 V HN 0.439 nan 8.190 nan 0.000 0.445 308 K N -0.188 119.900 120.400 -0.520 0.000 2.209 308 K HA -0.118 4.200 4.320 -0.004 0.000 0.204 308 K C 2.301 178.481 176.600 -0.700 0.000 1.048 308 K CA 1.494 57.251 56.287 -0.883 0.000 0.940 308 K CB -0.269 31.210 32.500 -1.700 0.000 0.729 308 K HN 0.350 nan 8.250 nan 0.000 0.451 309 S N 1.097 116.593 115.700 -0.339 0.000 2.428 309 S HA 0.036 4.503 4.470 -0.004 0.000 0.230 309 S C 1.834 176.418 174.600 -0.026 0.000 1.014 309 S CA 0.585 58.804 58.200 0.032 0.000 0.957 309 S CB -0.044 63.313 63.200 0.261 0.000 0.784 309 S HN 0.212 nan 8.310 nan 0.000 0.499 310 I N 1.041 121.556 120.570 -0.091 0.000 2.406 310 I HA -0.049 4.118 4.170 -0.004 0.000 0.249 310 I C 2.603 178.657 176.117 -0.104 0.000 1.122 310 I CA 0.882 62.134 61.300 -0.079 0.000 1.431 310 I CB -0.631 37.335 38.000 -0.056 0.000 1.087 310 I HN 0.332 nan 8.210 nan 0.000 0.424 311 G N 0.091 108.793 108.800 -0.164 0.000 2.422 311 G HA2 -0.215 3.742 3.960 -0.004 0.000 0.218 311 G HA3 -0.215 3.742 3.960 -0.004 0.000 0.218 311 G C 1.611 176.400 174.900 -0.185 0.000 1.146 311 G CA 0.340 45.333 45.100 -0.178 0.000 0.769 311 G HN 0.260 nan 8.290 nan 0.000 0.547 312 Q N 0.017 119.684 119.800 -0.222 0.000 2.016 312 Q HA -0.091 4.247 4.340 -0.004 0.000 0.200 312 Q C 2.476 178.406 176.000 -0.117 0.000 0.978 312 Q CA 1.561 57.215 55.803 -0.250 0.000 0.833 312 Q CB -0.337 28.176 28.738 -0.375 0.000 0.895 312 Q HN 0.535 nan 8.270 nan 0.000 0.427 313 E N 0.148 120.319 120.200 -0.048 0.000 2.118 313 E HA -0.138 4.209 4.350 -0.004 0.000 0.195 313 E C 1.829 178.412 176.600 -0.028 0.000 0.992 313 E CA 2.056 58.449 56.400 -0.012 0.000 0.804 313 E CB -0.062 29.625 29.700 -0.021 0.000 0.741 313 E HN 0.469 nan 8.360 nan 0.000 0.458 314 T N -3.431 111.095 114.554 -0.047 0.000 3.035 314 T HA 0.310 4.657 4.350 -0.004 0.000 0.259 314 T C 1.495 176.168 174.700 -0.044 0.000 1.078 314 T CA 0.642 62.719 62.100 -0.038 0.000 1.132 314 T CB 0.401 69.246 68.868 -0.037 0.000 0.900 314 T HN 0.144 nan 8.240 nan 0.000 0.480 315 A N -0.167 122.612 122.820 -0.068 0.000 2.530 315 A HA 0.698 5.015 4.320 -0.004 0.000 0.214 315 A C 1.731 179.260 177.584 -0.091 0.000 1.352 315 A CA 0.520 52.514 52.037 -0.071 0.000 1.035 315 A CB -0.170 18.786 19.000 -0.073 0.000 1.296 315 A HN 1.300 nan 8.150 nan 0.000 0.563 316 G N -0.915 107.811 108.800 -0.124 0.000 2.153 316 G HA2 0.156 4.113 3.960 -0.004 0.000 0.252 316 G HA3 0.156 4.113 3.960 -0.004 0.000 0.252 316 G C 0.305 175.077 174.900 -0.214 0.000 0.994 316 G CA 0.462 45.461 45.100 -0.169 0.000 0.698 316 G HN 1.859 nan 8.290 nan 0.000 0.521 317 A N -0.141 122.553 122.820 -0.210 0.000 2.319 317 A HA 0.798 5.115 4.320 -0.004 0.000 0.310 317 A C 0.541 177.960 177.584 -0.276 0.000 1.152 317 A CA 0.368 52.280 52.037 -0.209 0.000 0.783 317 A CB 1.475 20.388 19.000 -0.145 0.000 1.184 317 A HN 1.663 nan 8.150 nan 0.000 0.474 318 G N 2.245 110.863 108.800 -0.303 0.000 3.161 318 G HA2 0.504 4.461 3.960 -0.004 0.000 0.293 318 G HA3 0.504 4.461 3.960 -0.004 0.000 0.293 318 G C -0.216 174.421 174.900 -0.438 0.000 0.893 318 G CA 0.019 44.866 45.100 -0.422 0.000 1.756 318 G HN 0.706 nan 8.290 nan 0.000 0.549 319 T N 0.171 114.472 114.554 -0.421 0.000 2.894 319 T HA 0.212 4.559 4.350 -0.004 0.000 0.309 319 T C 0.246 174.785 174.700 -0.269 0.000 1.208 319 T CA -0.730 61.187 62.100 -0.306 0.000 1.016 319 T CB 1.690 70.468 68.868 -0.151 0.000 1.192 319 T HN 0.345 nan 8.240 nan 0.000 0.491 320 W N 1.164 122.365 121.300 -0.165 0.000 2.388 320 W HA -0.053 4.605 4.660 -0.003 0.000 0.294 320 W C 1.438 177.890 176.519 -0.111 0.000 1.212 320 W CA 1.051 58.312 57.345 -0.140 0.000 1.271 320 W CB -0.461 28.916 29.460 -0.138 0.000 1.126 320 W HN 0.770 nan 8.180 nan 0.000 0.535 321 D N 0.004 120.472 120.400 0.112 0.000 2.116 321 D HA -0.164 4.473 4.640 -0.004 0.000 0.193 321 D C 2.270 178.574 176.300 0.006 0.000 0.998 321 D CA 2.356 56.381 54.000 0.041 0.000 0.836 321 D CB -0.687 40.120 40.800 0.013 0.000 0.951 321 D HN 0.015 nan 8.370 nan 0.000 0.449 322 A N 0.072 122.875 122.820 -0.029 0.000 1.930 322 A HA 0.154 4.471 4.320 -0.004 0.000 0.215 322 A C 2.309 179.861 177.584 -0.054 0.000 1.176 322 A CA 1.656 53.662 52.037 -0.053 0.000 0.632 322 A CB -0.777 18.171 19.000 -0.088 0.000 0.819 322 A HN 0.293 nan 8.150 nan 0.000 0.445 323 G N -0.330 108.431 108.800 -0.066 0.000 2.403 323 G HA2 -0.035 3.922 3.960 -0.004 0.000 0.216 323 G HA3 -0.035 3.922 3.960 -0.004 0.000 0.216 323 G C 1.305 176.206 174.900 0.002 0.000 1.154 323 G CA 0.926 45.990 45.100 -0.060 0.000 0.784 323 G HN 0.315 nan 8.290 nan 0.000 0.538 324 L N 0.736 121.982 121.223 0.039 0.000 2.131 324 L HA 0.016 4.353 4.340 -0.004 0.000 0.210 324 L C 3.023 179.903 176.870 0.017 0.000 1.092 324 L CA 0.747 55.614 54.840 0.045 0.000 0.759 324 L CB -0.683 41.407 42.059 0.053 0.000 0.903 324 L HN 0.103 nan 8.230 nan 0.000 0.435 325 V N -0.619 119.297 119.914 0.004 0.000 2.379 325 V HA -0.139 3.978 4.120 -0.004 0.000 0.245 325 V C 2.564 178.657 176.094 -0.001 0.000 1.044 325 V CA 1.610 63.909 62.300 -0.003 0.000 1.036 325 V CB -1.299 30.517 31.823 -0.010 0.000 0.664 325 V HN 0.531 nan 8.190 nan 0.000 0.453 326 G N 0.023 108.819 108.800 -0.007 0.000 2.440 326 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.218 326 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.218 326 G C 1.670 176.577 174.900 0.011 0.000 1.154 326 G CA 1.323 46.419 45.100 -0.006 0.000 0.767 326 G HN 0.377 nan 8.290 nan 0.000 0.552 327 V N 0.472 120.400 119.914 0.023 0.000 2.295 327 V HA -0.158 3.959 4.120 -0.004 0.000 0.246 327 V C 2.736 178.860 176.094 0.050 0.000 1.049 327 V CA 2.060 64.390 62.300 0.049 0.000 1.024 327 V CB -0.318 31.548 31.823 0.071 0.000 0.648 327 V HN 0.358 nan 8.190 nan 0.000 0.447 328 E N -0.020 120.197 120.200 0.028 0.000 2.058 328 E HA -0.221 4.126 4.350 -0.004 0.000 0.194 328 E C 2.317 178.932 176.600 0.025 0.000 0.997 328 E CA 1.374 57.786 56.400 0.019 0.000 0.801 328 E CB -0.068 29.632 29.700 0.001 0.000 0.746 328 E HN 0.612 nan 8.360 nan 0.000 0.450 329 E N 0.121 120.332 120.200 0.020 0.000 2.051 329 E HA -0.152 4.195 4.350 -0.004 0.000 0.192 329 E C 2.004 178.622 176.600 0.031 0.000 0.991 329 E CA 0.970 57.382 56.400 0.020 0.000 0.799 329 E CB -0.250 29.456 29.700 0.011 0.000 0.748 329 E HN 0.248 nan 8.360 nan 0.000 0.449 330 A N 1.302 124.143 122.820 0.035 0.000 1.933 330 A HA -0.133 4.184 4.320 -0.004 0.000 0.218 330 A C 2.350 179.974 177.584 0.067 0.000 1.175 330 A CA 0.975 53.041 52.037 0.047 0.000 0.628 330 A CB -0.668 18.356 19.000 0.039 0.000 0.814 330 A HN 0.146 nan 8.150 nan 0.000 0.444 331 L N -0.337 120.932 121.223 0.076 0.000 2.083 331 L HA -0.164 4.173 4.340 -0.004 0.000 0.209 331 L C 2.837 179.752 176.870 0.076 0.000 1.083 331 L CA 1.449 56.349 54.840 0.099 0.000 0.752 331 L CB -0.305 41.836 42.059 0.137 0.000 0.899 331 L HN 0.358 nan 8.230 nan 0.000 0.433 332 S N -0.088 115.645 115.700 0.055 0.000 2.355 332 S HA -0.103 4.364 4.470 -0.004 0.000 0.222 332 S C 2.031 176.652 174.600 0.035 0.000 1.031 332 S CA 1.107 59.331 58.200 0.040 0.000 0.993 332 S CB -0.733 62.483 63.200 0.028 0.000 0.859 332 S HN 0.571 nan 8.310 nan 0.000 0.453 333 G N 1.099 109.921 108.800 0.036 0.000 2.501 333 G HA2 -0.144 3.813 3.960 -0.004 0.000 0.220 333 G HA3 -0.144 3.813 3.960 -0.004 0.000 0.220 333 G C 1.259 176.180 174.900 0.034 0.000 1.114 333 G CA 0.557 45.676 45.100 0.033 0.000 0.757 333 G HN 0.387 nan 8.290 nan 0.000 0.559 334 L N -0.362 120.888 121.223 0.044 0.000 2.375 334 L HA 0.408 4.745 4.340 -0.004 0.000 0.215 334 L C 1.932 178.809 176.870 0.012 0.000 1.108 334 L CA 1.553 56.413 54.840 0.034 0.000 0.830 334 L CB 0.274 42.372 42.059 0.065 0.000 0.959 334 L HN 0.341 nan 8.230 nan 0.000 0.457 335 G N -1.562 107.252 108.800 0.024 0.000 2.198 335 G HA2 -0.154 3.803 3.960 -0.004 0.000 0.156 335 G HA3 -0.154 3.803 3.960 -0.004 0.000 0.156 335 G C -0.054 174.864 174.900 0.031 0.000 1.012 335 G CA -0.065 45.046 45.100 0.019 0.000 0.692 335 G HN 0.078 nan 8.290 nan 0.000 0.492 336 V N 1.725 121.668 119.914 0.048 0.000 2.530 336 V HA 0.396 4.514 4.120 -0.004 0.000 0.282 336 V C 0.379 176.509 176.094 0.060 0.000 1.048 336 V CA -0.559 61.782 62.300 0.069 0.000 0.997 336 V CB 1.672 33.564 31.823 0.115 0.000 0.987 336 V HN 0.310 nan 8.190 nan 0.000 0.477 337 D N 4.008 124.441 120.400 0.055 0.000 2.344 337 D HA 0.065 4.702 4.640 -0.004 0.000 0.253 337 D C 1.097 177.421 176.300 0.040 0.000 1.255 337 D CA 0.014 54.038 54.000 0.040 0.000 0.894 337 D CB 1.236 42.056 40.800 0.034 0.000 1.067 337 D HN 0.764 nan 8.370 nan 0.000 0.492 338 T N 0.828 115.397 114.554 0.024 0.000 3.223 338 T HA 0.357 4.704 4.350 -0.004 0.000 0.259 338 T C 1.586 176.277 174.700 -0.015 0.000 1.015 338 T CA 0.064 62.165 62.100 0.002 0.000 0.908 338 T CB 0.504 69.371 68.868 -0.002 0.000 1.054 338 T HN 0.230 nan 8.240 nan 0.000 0.567 339 A N 1.825 124.642 122.820 -0.004 0.000 1.908 339 A HA 0.209 4.527 4.320 -0.004 0.000 0.218 339 A C 2.374 179.947 177.584 -0.017 0.000 1.181 339 A CA 1.442 53.474 52.037 -0.008 0.000 0.627 339 A CB -1.218 17.782 19.000 -0.000 0.000 0.818 339 A HN 0.640 nan 8.150 nan 0.000 0.445 340 G N -1.511 107.278 108.800 -0.018 0.000 3.141 340 G HA2 0.407 4.364 3.960 -0.004 0.000 0.218 340 G HA3 0.407 4.364 3.960 -0.004 0.000 0.218 340 G C 0.295 175.161 174.900 -0.057 0.000 1.170 340 G CA -0.326 44.759 45.100 -0.025 0.000 0.769 340 G HN 0.358 nan 8.290 nan 0.000 0.546 341 L N 1.439 122.610 121.223 -0.086 0.000 2.292 341 L HA 0.452 4.790 4.340 -0.004 0.000 0.284 341 L C -0.658 176.145 176.870 -0.113 0.000 1.065 341 L CA -0.579 54.170 54.840 -0.152 0.000 0.806 341 L CB 2.060 43.986 42.059 -0.222 0.000 1.175 341 L HN -0.181 nan 8.230 nan 0.000 0.431 342 V N 6.000 125.845 119.914 -0.115 0.000 2.407 342 V HA 0.333 4.451 4.120 -0.004 0.000 0.291 342 V C -0.156 175.883 176.094 -0.092 0.000 1.018 342 V CA -0.453 61.798 62.300 -0.082 0.000 0.842 342 V CB 1.678 33.468 31.823 -0.055 0.000 0.996 342 V HN 0.504 nan 8.190 nan 0.000 0.426 343 L N 4.490 125.666 121.223 -0.080 0.000 2.264 343 L HA 0.487 4.825 4.340 -0.004 0.000 0.287 343 L C 0.869 177.709 176.870 -0.050 0.000 1.039 343 L CA -0.040 54.761 54.840 -0.066 0.000 0.829 343 L CB 0.954 42.982 42.059 -0.052 0.000 1.211 343 L HN 0.567 nan 8.230 nan 0.000 0.427 344 N N 0.935 119.603 118.700 -0.055 0.000 2.273 344 N HA 0.034 4.771 4.740 -0.004 0.000 0.192 344 N C -0.696 174.716 175.510 -0.162 0.000 1.132 344 N CA 0.142 53.133 53.050 -0.098 0.000 0.887 344 N CB 0.676 39.109 38.487 -0.091 0.000 1.048 344 N HN 0.768 nan 8.380 nan 0.000 0.490 345 D N -3.665 116.698 120.400 -0.061 0.000 2.738 345 D HA 0.236 4.873 4.640 -0.004 0.000 0.308 345 D C 0.655 177.039 176.300 0.140 0.000 1.311 345 D CA -0.491 53.498 54.000 -0.018 0.000 0.799 345 D CB 0.324 41.098 40.800 -0.044 0.000 1.332 345 D HN -0.103 nan 8.370 nan 0.000 0.441 346 G N -0.880 108.072 108.800 0.254 0.000 2.545 346 G HA2 0.004 3.961 3.960 -0.004 0.000 0.212 346 G HA3 0.004 3.961 3.960 -0.004 0.000 0.212 346 G C 1.192 176.262 174.900 0.284 0.000 1.144 346 G CA 0.945 46.206 45.100 0.268 0.000 0.813 346 G HN 0.618 nan 8.290 nan 0.000 0.531 347 S N -0.521 115.358 115.700 0.298 0.000 2.425 347 S HA 0.332 4.799 4.470 -0.004 0.000 0.225 347 S C 1.947 176.644 174.600 0.162 0.000 1.024 347 S CA 1.282 59.638 58.200 0.259 0.000 0.951 347 S CB -0.116 63.243 63.200 0.264 0.000 0.796 347 S HN 1.494 nan 8.310 nan 0.000 0.498 348 G N 0.871 109.759 108.800 0.148 0.000 2.159 348 G HA2 -0.209 3.749 3.960 -0.004 0.000 0.227 348 G HA3 -0.209 3.749 3.960 -0.004 0.000 0.227 348 G C 0.457 175.364 174.900 0.011 0.000 0.986 348 G CA 0.303 45.450 45.100 0.078 0.000 0.651 348 G HN 0.496 nan 8.290 nan 0.000 0.523 349 L N 0.717 121.942 121.223 0.003 0.000 2.141 349 L HA 0.211 4.549 4.340 -0.004 0.000 0.209 349 L C 1.865 178.686 176.870 -0.082 0.000 1.094 349 L CA 1.354 56.091 54.840 -0.173 0.000 0.763 349 L CB -0.231 41.538 42.059 -0.483 0.000 0.908 349 L HN 0.378 nan 8.230 nan 0.000 0.437 350 S N -0.044 115.767 115.700 0.185 0.000 2.549 350 S HA 0.029 4.496 4.470 -0.004 0.000 0.286 350 S C 1.120 175.752 174.600 0.052 0.000 1.314 350 S CA -0.320 58.001 58.200 0.202 0.000 1.062 350 S CB 0.523 63.823 63.200 0.166 0.000 0.865 350 S HN 0.292 nan 8.310 nan 0.000 0.498 351 R N 3.333 123.860 120.500 0.044 0.000 2.320 351 R HA 0.087 4.424 4.340 -0.004 0.000 0.211 351 R C 1.770 178.096 176.300 0.043 0.000 0.931 351 R CA 0.486 56.603 56.100 0.028 0.000 1.071 351 R CB -0.172 30.161 30.300 0.055 0.000 1.025 351 R HN 0.716 nan 8.270 nan 0.000 0.495 352 G N 0.466 109.289 108.800 0.038 0.000 2.880 352 G HA2 -0.059 3.899 3.960 -0.004 0.000 0.209 352 G HA3 -0.059 3.899 3.960 -0.004 0.000 0.209 352 G C 0.347 175.242 174.900 -0.008 0.000 1.157 352 G CA -0.279 44.828 45.100 0.012 0.000 0.779 352 G HN 0.144 nan 8.290 nan 0.000 0.539 353 N N 0.516 119.213 118.700 -0.005 0.000 2.529 353 N HA 0.476 5.213 4.740 -0.004 0.000 0.278 353 N C -0.787 174.707 175.510 -0.026 0.000 1.146 353 N CA 0.167 53.204 53.050 -0.021 0.000 0.980 353 N CB 1.897 40.380 38.487 -0.006 0.000 1.124 353 N HN 0.013 nan 8.380 nan 0.000 0.458 354 L N 1.241 122.434 121.223 -0.049 0.000 2.464 354 L HA 0.515 4.853 4.340 -0.004 0.000 0.266 354 L C -0.090 176.734 176.870 -0.077 0.000 0.965 354 L CA -0.944 53.870 54.840 -0.043 0.000 0.833 354 L CB 1.977 44.016 42.059 -0.033 0.000 1.296 354 L HN 0.252 nan 8.230 nan 0.000 0.405 355 V N -0.673 119.215 119.914 -0.044 0.000 3.181 355 V HA 0.944 5.062 4.120 -0.004 0.000 0.314 355 V C -0.248 175.854 176.094 0.014 0.000 1.173 355 V CA -0.512 61.763 62.300 -0.042 0.000 1.052 355 V CB 2.060 33.903 31.823 0.033 0.000 1.123 355 V HN 0.818 nan 8.190 nan 0.000 0.454 356 T N -2.302 112.280 114.554 0.048 0.000 2.906 356 T HA 0.751 5.098 4.350 -0.004 0.000 0.295 356 T C 0.786 175.540 174.700 0.090 0.000 1.061 356 T CA -0.034 62.100 62.100 0.057 0.000 1.000 356 T CB 1.700 70.591 68.868 0.039 0.000 1.103 356 T HN 1.678 nan 8.240 nan 0.000 0.486 357 A N 1.272 124.136 122.820 0.072 0.000 1.972 357 A HA 0.002 4.319 4.320 -0.004 0.000 0.219 357 A C 1.891 179.516 177.584 0.069 0.000 1.169 357 A CA 1.519 53.598 52.037 0.071 0.000 0.635 357 A CB -0.862 18.179 19.000 0.067 0.000 0.810 357 A HN 0.894 nan 8.150 nan 0.000 0.446 358 D N -0.650 119.789 120.400 0.065 0.000 2.178 358 D HA -0.068 4.570 4.640 -0.004 0.000 0.202 358 D C 1.891 178.239 176.300 0.080 0.000 0.974 358 D CA 1.696 55.733 54.000 0.061 0.000 0.841 358 D CB -0.237 40.591 40.800 0.046 0.000 0.953 358 D HN 0.429 nan 8.370 nan 0.000 0.478 359 T N 0.186 114.806 114.554 0.110 0.000 2.812 359 T HA -0.051 4.296 4.350 -0.004 0.000 0.264 359 T C 2.302 177.142 174.700 0.233 0.000 1.042 359 T CA 0.501 62.705 62.100 0.172 0.000 1.140 359 T CB -0.206 68.770 68.868 0.181 0.000 0.870 359 T HN -0.037 nan 8.240 nan 0.000 0.445 360 V N 1.430 121.473 119.914 0.215 0.000 2.343 360 V HA -0.144 3.973 4.120 -0.004 0.000 0.247 360 V C 2.686 178.760 176.094 -0.032 0.000 1.051 360 V CA 1.303 63.641 62.300 0.063 0.000 1.036 360 V CB -0.785 31.051 31.823 0.022 0.000 0.654 360 V HN 0.297 nan 8.190 nan 0.000 0.451 361 V N 0.230 120.146 119.914 0.003 0.000 2.358 361 V HA -0.257 3.861 4.120 -0.004 0.000 0.246 361 V C 2.431 178.542 176.094 0.028 0.000 1.047 361 V CA 2.235 64.534 62.300 -0.002 0.000 1.035 361 V CB -0.655 31.184 31.823 0.027 0.000 0.658 361 V HN 0.591 nan 8.190 nan 0.000 0.452 362 D N 0.139 120.569 120.400 0.050 0.000 2.116 362 D HA -0.204 4.433 4.640 -0.004 0.000 0.193 362 D C 2.045 178.372 176.300 0.045 0.000 0.998 362 D CA 1.716 55.749 54.000 0.056 0.000 0.836 362 D CB -0.226 40.618 40.800 0.073 0.000 0.951 362 D HN 0.323 nan 8.370 nan 0.000 0.449 363 L N 0.440 121.686 121.223 0.038 0.000 2.012 363 L HA -0.119 4.218 4.340 -0.004 0.000 0.210 363 L C 2.359 179.224 176.870 -0.008 0.000 1.073 363 L CA 1.514 56.345 54.840 -0.015 0.000 0.748 363 L CB -0.672 41.301 42.059 -0.143 0.000 0.891 363 L HN 0.129 nan 8.230 nan 0.000 0.431 364 L N -0.651 120.583 121.223 0.020 0.000 2.131 364 L HA -0.114 4.223 4.340 -0.004 0.000 0.210 364 L C 2.496 179.502 176.870 0.226 0.000 1.092 364 L CA 1.141 56.052 54.840 0.118 0.000 0.759 364 L CB -1.308 40.677 42.059 -0.124 0.000 0.903 364 L HN 0.492 nan 8.230 nan 0.000 0.435 365 G N -1.206 107.667 108.800 0.122 0.000 2.394 365 G HA2 -0.195 3.763 3.960 -0.004 0.000 0.215 365 G HA3 -0.195 3.763 3.960 -0.004 0.000 0.215 365 G C 1.526 176.444 174.900 0.031 0.000 1.165 365 G CA 0.094 45.256 45.100 0.104 0.000 0.784 365 G HN 0.220 nan 8.290 nan 0.000 0.535 366 Q N 0.628 120.422 119.800 -0.010 0.000 2.079 366 Q HA 0.056 4.393 4.340 -0.004 0.000 0.200 366 Q C 2.868 178.752 176.000 -0.194 0.000 0.974 366 Q CA 1.360 57.117 55.803 -0.078 0.000 0.840 366 Q CB -0.714 27.994 28.738 -0.051 0.000 0.898 366 Q HN 0.443 nan 8.270 nan 0.000 0.430 367 A N 0.543 123.236 122.820 -0.212 0.000 2.066 367 A HA 0.016 4.334 4.320 -0.004 0.000 0.218 367 A C 2.273 179.646 177.584 -0.352 0.000 1.157 367 A CA 1.352 53.102 52.037 -0.479 0.000 0.670 367 A CB -0.784 17.733 19.000 -0.806 0.000 0.804 367 A HN 0.423 nan 8.150 nan 0.000 0.453 368 G N 0.028 108.786 108.800 -0.070 0.000 2.432 368 G HA2 -0.132 3.826 3.960 -0.004 0.000 0.219 368 G HA3 -0.132 3.826 3.960 -0.004 0.000 0.219 368 G C 1.513 176.323 174.900 -0.150 0.000 1.135 368 G CA 1.500 46.571 45.100 -0.048 0.000 0.767 368 G HN 0.847 nan 8.290 nan 0.000 0.550 369 S N -0.631 114.946 115.700 -0.204 0.000 2.578 369 S HA 0.678 5.145 4.470 -0.004 0.000 0.231 369 S C 0.858 175.263 174.600 -0.325 0.000 0.994 369 S CA 0.177 58.252 58.200 -0.209 0.000 0.956 369 S CB 0.664 63.783 63.200 -0.135 0.000 0.870 369 S HN 0.530 nan 8.310 nan 0.000 0.494 370 A N 3.278 125.759 122.820 -0.565 0.000 2.371 370 A HA 0.575 4.892 4.320 -0.004 0.000 0.257 370 A C -0.811 176.330 177.584 -0.737 0.000 1.089 370 A CA -1.526 50.000 52.037 -0.851 0.000 0.794 370 A CB 0.096 18.055 19.000 -1.734 0.000 1.029 370 A HN 0.214 nan 8.150 nan 0.000 0.488 371 P HA -0.158 nan 4.420 nan 0.000 0.218 371 P C 0.783 177.987 177.300 -0.160 0.000 1.146 371 P CA 1.587 64.524 63.100 -0.271 0.000 0.820 371 P CB -0.135 31.491 31.700 -0.124 0.000 0.778 372 W N -1.911 119.394 121.300 0.007 0.000 3.305 372 W HA 0.659 5.316 4.660 -0.005 0.000 0.392 372 W C 0.993 177.565 176.519 0.088 0.000 1.121 372 W CA -0.076 57.297 57.345 0.046 0.000 1.909 372 W CB -1.173 28.319 29.460 0.052 0.000 1.065 372 W HN -0.118 nan 8.180 nan 0.000 0.714 373 A N 1.387 124.246 122.820 0.065 0.000 1.972 373 A HA -0.216 4.101 4.320 -0.004 0.000 0.219 373 A C 2.217 179.981 177.584 0.301 0.000 1.169 373 A CA 1.361 53.478 52.037 0.133 0.000 0.635 373 A CB -0.276 18.673 19.000 -0.084 0.000 0.810 373 A HN 0.204 nan 8.150 nan 0.000 0.446 374 Q N -0.951 118.974 119.800 0.210 0.000 2.163 374 Q HA -0.083 4.254 4.340 -0.004 0.000 0.198 374 Q C 2.255 178.377 176.000 0.203 0.000 0.954 374 Q CA 1.834 57.736 55.803 0.165 0.000 0.851 374 Q CB -1.142 27.656 28.738 0.101 0.000 0.928 374 Q HN 0.746 nan 8.270 nan 0.000 0.459 375 T N -0.320 114.392 114.554 0.263 0.000 2.951 375 T HA -0.114 4.233 4.350 -0.004 0.000 0.268 375 T C 1.348 176.229 174.700 0.301 0.000 1.073 375 T CA 0.708 62.956 62.100 0.247 0.000 1.134 375 T CB -0.177 68.831 68.868 0.232 0.000 0.884 375 T HN 0.519 nan 8.240 nan 0.000 0.479 376 W N 2.224 123.658 121.300 0.224 0.000 2.408 376 W HA -0.093 4.564 4.660 -0.005 0.000 0.311 376 W C 2.302 178.917 176.519 0.160 0.000 1.190 376 W CA 1.650 59.129 57.345 0.223 0.000 1.321 376 W CB -0.781 28.948 29.460 0.448 0.000 1.143 376 W HN 0.475 nan 8.180 nan 0.000 0.501 377 S N 1.080 116.848 115.700 0.113 0.000 2.453 377 S HA 0.009 4.477 4.470 -0.004 0.000 0.231 377 S C 2.010 176.579 174.600 -0.052 0.000 1.005 377 S CA 0.998 59.160 58.200 -0.064 0.000 0.949 377 S CB -0.630 62.591 63.200 0.034 0.000 0.774 377 S HN 0.271 nan 8.310 nan 0.000 0.510 378 A N 2.218 125.045 122.820 0.012 0.000 1.969 378 A HA 0.023 4.340 4.320 -0.004 0.000 0.218 378 A C 2.456 180.021 177.584 -0.033 0.000 1.169 378 A CA 1.592 53.634 52.037 0.008 0.000 0.635 378 A CB -1.040 17.992 19.000 0.054 0.000 0.810 378 A HN 0.818 nan 8.150 nan 0.000 0.445 379 S N -0.426 115.235 115.700 -0.065 0.000 2.461 379 S HA 0.154 4.621 4.470 -0.004 0.000 0.228 379 S C 0.680 175.153 174.600 -0.211 0.000 1.005 379 S CA -0.103 58.032 58.200 -0.108 0.000 0.942 379 S CB -0.666 62.485 63.200 -0.083 0.000 0.776 379 S HN 0.380 nan 8.310 nan 0.000 0.514 380 L N 2.501 123.574 121.223 -0.250 0.000 2.416 380 L HA 0.355 4.693 4.340 -0.004 0.000 0.272 380 L C -2.433 174.320 176.870 -0.196 0.000 1.161 380 L CA -2.227 52.450 54.840 -0.271 0.000 0.845 380 L CB -0.118 41.768 42.059 -0.288 0.000 1.119 380 L HN 0.001 nan 8.230 nan 0.000 0.464 381 P HA -0.013 nan 4.420 nan 0.000 0.264 381 P C -0.677 176.560 177.300 -0.104 0.000 1.183 381 P CA 0.038 63.038 63.100 -0.167 0.000 0.763 381 P CB 0.560 32.160 31.700 -0.167 0.000 0.807 382 V N 2.931 122.798 119.914 -0.078 0.000 2.483 382 V HA 0.511 4.628 4.120 -0.004 0.000 0.295 382 V C 0.536 176.606 176.094 -0.039 0.000 1.035 382 V CA -0.946 61.327 62.300 -0.045 0.000 0.896 382 V CB 1.362 33.166 31.823 -0.032 0.000 0.986 382 V HN 0.640 nan 8.190 nan 0.000 0.447 383 A N 3.364 126.165 122.820 -0.030 0.000 2.488 383 A HA 0.523 4.840 4.320 -0.004 0.000 0.249 383 A C 1.438 179.006 177.584 -0.027 0.000 1.083 383 A CA 0.578 52.597 52.037 -0.029 0.000 0.768 383 A CB -0.420 18.562 19.000 -0.029 0.000 1.017 383 A HN 2.224 nan 8.150 nan 0.000 0.496 384 G N 1.392 110.179 108.800 -0.022 0.000 2.168 384 G HA2 -0.191 3.766 3.960 -0.004 0.000 0.257 384 G HA3 -0.191 3.766 3.960 -0.004 0.000 0.257 384 G C -0.024 174.872 174.900 -0.007 0.000 0.997 384 G CA 0.475 45.566 45.100 -0.015 0.000 0.708 384 G HN 0.805 nan 8.290 nan 0.000 0.520 385 E N 0.492 120.688 120.200 -0.007 0.000 2.200 385 E HA 0.456 4.804 4.350 -0.004 0.000 0.283 385 E C 1.309 177.919 176.600 0.016 0.000 1.015 385 E CA 0.210 56.612 56.400 0.004 0.000 0.819 385 E CB 1.331 31.032 29.700 0.001 0.000 1.081 385 E HN 0.202 nan 8.360 nan 0.000 0.397 386 S N 1.899 117.614 115.700 0.024 0.000 2.348 386 S HA -0.158 4.309 4.470 -0.004 0.000 0.221 386 S C 0.774 175.407 174.600 0.056 0.000 1.033 386 S CA 0.654 58.875 58.200 0.034 0.000 1.010 386 S CB -0.108 63.110 63.200 0.031 0.000 0.891 386 S HN 0.554 nan 8.310 nan 0.000 0.442 387 D N 3.004 123.445 120.400 0.068 0.000 2.661 387 D HA 0.008 4.645 4.640 -0.004 0.000 0.244 387 D C -1.697 174.686 176.300 0.139 0.000 1.196 387 D CA -1.318 52.748 54.000 0.110 0.000 0.881 387 D CB 0.702 41.564 40.800 0.103 0.000 1.141 387 D HN 0.004 nan 8.370 nan 0.000 0.530 388 P HA -0.183 nan 4.420 nan 0.000 0.218 388 P C 1.078 178.468 177.300 0.151 0.000 1.154 388 P CA 1.167 64.425 63.100 0.264 0.000 0.872 388 P CB -0.025 31.892 31.700 0.362 0.000 0.790 389 F N -2.181 117.845 119.950 0.127 0.000 2.811 389 F HA -0.011 4.513 4.527 -0.004 0.000 0.301 389 F C 1.849 177.607 175.800 -0.070 0.000 1.151 389 F CA 0.545 58.549 58.000 0.007 0.000 1.412 389 F CB -0.117 38.940 39.000 0.095 0.000 1.113 389 F HN -0.234 nan 8.300 nan 0.000 0.579 390 V N -2.085 117.873 119.914 0.074 0.000 3.219 390 V HA 0.213 4.330 4.120 -0.004 0.000 0.240 390 V C 2.264 178.328 176.094 -0.049 0.000 1.222 390 V CA 1.173 63.481 62.300 0.014 0.000 1.181 390 V CB -0.212 31.637 31.823 0.043 0.000 0.941 390 V HN 0.252 nan 8.190 nan 0.000 0.471 391 G N -0.421 108.352 108.800 -0.045 0.000 2.545 391 G HA2 0.381 4.338 3.960 -0.004 0.000 0.212 391 G HA3 0.381 4.338 3.960 -0.004 0.000 0.212 391 G C 1.186 176.016 174.900 -0.117 0.000 1.144 391 G CA 0.991 46.055 45.100 -0.059 0.000 0.813 391 G HN 0.761 nan 8.290 nan 0.000 0.531 392 G N 0.410 109.098 108.800 -0.187 0.000 2.652 392 G HA2 -0.392 3.565 3.960 -0.004 0.000 0.318 392 G HA3 -0.392 3.565 3.960 -0.004 0.000 0.318 392 G C 1.505 176.361 174.900 -0.073 0.000 1.295 392 G CA 2.459 47.389 45.100 -0.284 0.000 0.999 392 G HN 1.236 nan 8.290 nan 0.000 0.548 393 T N -0.609 113.892 114.554 -0.089 0.000 3.163 393 T HA 0.319 4.667 4.350 -0.004 0.000 0.260 393 T C 1.840 176.513 174.700 -0.045 0.000 1.156 393 T CA 1.557 63.633 62.100 -0.040 0.000 1.072 393 T CB -0.041 68.794 68.868 -0.055 0.000 0.937 393 T HN 0.518 nan 8.240 nan 0.000 0.528 394 L N 0.067 121.256 121.223 -0.057 0.000 2.872 394 L HA 0.517 4.855 4.340 -0.004 0.000 0.245 394 L C 2.421 179.274 176.870 -0.029 0.000 1.211 394 L CA -0.099 54.715 54.840 -0.042 0.000 1.013 394 L CB -0.228 41.803 42.059 -0.047 0.000 1.326 394 L HN 0.282 nan 8.230 nan 0.000 0.525 395 A N 0.351 123.161 122.820 -0.018 0.000 1.933 395 A HA -0.107 4.210 4.320 -0.004 0.000 0.218 395 A C 1.538 179.121 177.584 -0.002 0.000 1.175 395 A CA 1.327 53.363 52.037 -0.002 0.000 0.628 395 A CB -0.170 18.843 19.000 0.021 0.000 0.814 395 A HN 0.451 nan 8.150 nan 0.000 0.444 396 N N 0.042 118.739 118.700 -0.004 0.000 2.380 396 N HA 0.176 4.914 4.740 -0.004 0.000 0.255 396 N C -0.605 174.897 175.510 -0.014 0.000 1.158 396 N CA 0.075 53.121 53.050 -0.007 0.000 0.878 396 N CB 0.506 38.990 38.487 -0.004 0.000 1.138 396 N HN 0.415 nan 8.380 nan 0.000 0.509 397 R N -0.165 120.325 120.500 -0.018 0.000 2.686 397 R HA 0.424 4.761 4.340 -0.004 0.000 0.286 397 R C 0.587 176.872 176.300 -0.024 0.000 0.969 397 R CA -0.561 55.526 56.100 -0.022 0.000 0.898 397 R CB 1.711 31.996 30.300 -0.025 0.000 1.183 397 R HN 0.032 nan 8.270 nan 0.000 0.456 398 M N 0.109 119.693 119.600 -0.027 0.000 2.856 398 M HA -0.277 4.200 4.480 -0.004 0.000 0.189 398 M C -0.357 175.928 176.300 -0.025 0.000 0.612 398 M CA 1.064 56.346 55.300 -0.030 0.000 0.673 398 M CB -1.171 31.407 32.600 -0.037 0.000 2.440 398 M HN 0.558 nan 8.290 nan 0.000 0.437 399 R N 0.562 121.050 120.500 -0.019 0.000 2.623 399 R HA 0.283 4.620 4.340 -0.004 0.000 0.271 399 R C 1.453 177.746 176.300 -0.013 0.000 1.043 399 R CA 1.134 57.226 56.100 -0.014 0.000 1.083 399 R CB 0.216 30.510 30.300 -0.009 0.000 0.974 399 R HN 0.510 nan 8.270 nan 0.000 0.436 400 G N 1.414 110.208 108.800 -0.009 0.000 2.175 400 G HA2 -0.323 3.635 3.960 -0.004 0.000 0.265 400 G HA3 -0.323 3.635 3.960 -0.004 0.000 0.265 400 G C 0.258 175.153 174.900 -0.009 0.000 0.979 400 G CA 0.891 45.987 45.100 -0.007 0.000 0.663 400 G HN 0.745 nan 8.290 nan 0.000 0.533 401 T N -3.835 110.710 114.554 -0.014 0.000 2.949 401 T HA 0.785 5.132 4.350 -0.004 0.000 0.287 401 T C 1.503 176.193 174.700 -0.016 0.000 1.034 401 T CA 0.335 62.425 62.100 -0.017 0.000 1.018 401 T CB 1.807 70.659 68.868 -0.027 0.000 1.135 401 T HN 1.352 nan 8.240 nan 0.000 0.532 402 A N 0.190 123.003 122.820 -0.011 0.000 2.225 402 A HA 0.340 4.658 4.320 -0.004 0.000 0.215 402 A C 2.188 179.743 177.584 -0.048 0.000 1.164 402 A CA 1.289 53.328 52.037 0.003 0.000 0.710 402 A CB -1.210 17.809 19.000 0.032 0.000 0.780 402 A HN 1.231 nan 8.150 nan 0.000 0.473 403 A N -0.670 122.110 122.820 -0.067 0.000 2.267 403 A HA 0.224 4.542 4.320 -0.004 0.000 0.213 403 A C 0.820 178.349 177.584 -0.091 0.000 1.192 403 A CA 0.178 52.153 52.037 -0.103 0.000 0.851 403 A CB -0.198 18.751 19.000 -0.086 0.000 0.881 403 A HN 0.567 nan 8.150 nan 0.000 0.494 404 E N 0.226 120.389 120.200 -0.062 0.000 2.351 404 E HA 0.337 4.684 4.350 -0.004 0.000 0.266 404 E C 1.073 177.644 176.600 -0.048 0.000 1.031 404 E CA 0.539 56.913 56.400 -0.043 0.000 0.911 404 E CB -0.108 29.577 29.700 -0.024 0.000 0.986 404 E HN 0.664 nan 8.360 nan 0.000 0.446 405 G N 2.754 111.529 108.800 -0.042 0.000 2.162 405 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.260 405 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.260 405 G C 0.508 175.375 174.900 -0.054 0.000 0.976 405 G CA 0.311 45.391 45.100 -0.034 0.000 0.655 405 G HN 0.475 nan 8.290 nan 0.000 0.533 406 V N -0.655 119.201 119.914 -0.097 0.000 3.134 406 V HA 0.231 4.348 4.120 -0.004 0.000 0.222 406 V C 1.677 177.731 176.094 -0.067 0.000 1.247 406 V CA 0.780 62.991 62.300 -0.150 0.000 1.281 406 V CB 0.251 31.828 31.823 -0.410 0.000 1.169 406 V HN 0.215 nan 8.190 nan 0.000 0.512 407 V N 2.614 122.496 119.914 -0.053 0.000 2.485 407 V HA 0.078 4.195 4.120 -0.004 0.000 0.287 407 V C -0.017 176.107 176.094 0.049 0.000 1.022 407 V CA 0.370 62.690 62.300 0.033 0.000 1.067 407 V CB -0.020 31.820 31.823 0.029 0.000 0.967 407 V HN 0.536 nan 8.190 nan 0.000 0.479 408 E N 4.020 124.277 120.200 0.094 0.000 2.092 408 E HA 0.708 5.055 4.350 -0.004 0.000 0.271 408 E C -0.244 176.354 176.600 -0.004 0.000 0.919 408 E CA -0.211 56.217 56.400 0.047 0.000 0.760 408 E CB 1.657 31.413 29.700 0.092 0.000 1.106 408 E HN 0.842 nan 8.360 nan 0.000 0.408 409 A N 3.018 125.794 122.820 -0.073 0.000 2.574 409 A HA 0.562 4.879 4.320 -0.004 0.000 0.297 409 A C -1.198 176.270 177.584 -0.193 0.000 1.062 409 A CA -0.914 51.026 52.037 -0.162 0.000 0.686 409 A CB 1.502 20.461 19.000 -0.069 0.000 1.285 409 A HN 0.368 nan 8.150 nan 0.000 0.403 410 K N 0.923 121.169 120.400 -0.257 0.000 2.174 410 K HA 0.619 4.936 4.320 -0.004 0.000 0.275 410 K C 0.569 177.068 176.600 -0.168 0.000 1.015 410 K CA 0.497 56.646 56.287 -0.230 0.000 0.933 410 K CB 0.774 33.114 32.500 -0.267 0.000 1.025 410 K HN 0.893 nan 8.250 nan 0.000 0.463 411 T N -0.434 114.039 114.554 -0.135 0.000 2.893 411 T HA 0.823 5.170 4.350 -0.004 0.000 0.279 411 T C 0.109 174.755 174.700 -0.090 0.000 0.991 411 T CA -0.663 61.379 62.100 -0.097 0.000 0.950 411 T CB 1.499 70.318 68.868 -0.082 0.000 1.223 411 T HN 0.597 nan 8.240 nan 0.000 0.585 412 G N 0.214 108.971 108.800 -0.073 0.000 1.824 412 G HA2 0.458 4.415 3.960 -0.004 0.000 0.294 412 G HA3 0.458 4.415 3.960 -0.004 0.000 0.294 412 G C -0.952 173.910 174.900 -0.063 0.000 1.796 412 G CA -0.714 44.343 45.100 -0.071 0.000 0.919 412 G HN 0.804 nan 8.290 nan 0.000 0.595 413 T N 2.381 116.884 114.554 -0.086 0.000 2.861 413 T HA 0.792 5.139 4.350 -0.004 0.000 0.287 413 T C -0.122 174.503 174.700 -0.125 0.000 1.003 413 T CA -0.356 61.699 62.100 -0.076 0.000 0.977 413 T CB 1.875 70.705 68.868 -0.065 0.000 0.996 413 T HN 0.662 nan 8.240 nan 0.000 0.448 414 M N 0.867 120.405 119.600 -0.105 0.000 2.716 414 M HA 0.493 4.971 4.480 -0.004 0.000 0.278 414 M C -0.586 175.649 176.300 -0.108 0.000 1.281 414 M CA -0.638 54.565 55.300 -0.162 0.000 0.814 414 M CB 2.218 34.702 32.600 -0.194 0.000 1.719 414 M HN 0.469 nan 8.290 nan 0.000 0.457 415 S N 1.094 116.711 115.700 -0.137 0.000 2.596 415 S HA 0.318 4.785 4.470 -0.004 0.000 0.298 415 S C 0.824 175.346 174.600 -0.130 0.000 1.255 415 S CA 1.279 59.421 58.200 -0.097 0.000 1.083 415 S CB -0.200 62.956 63.200 -0.073 0.000 0.837 415 S HN 1.058 nan 8.310 nan 0.000 0.499 416 G N 2.154 110.828 108.800 -0.210 0.000 2.179 416 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.260 416 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.260 416 G C 0.005 174.648 174.900 -0.429 0.000 0.977 416 G CA 0.154 44.995 45.100 -0.431 0.000 0.641 416 G HN 0.843 nan 8.290 nan 0.000 0.533 417 V N -0.183 119.661 119.914 -0.118 0.000 2.733 417 V HA 0.839 4.957 4.120 -0.004 0.000 0.306 417 V C -0.195 175.985 176.094 0.144 0.000 1.084 417 V CA -0.005 62.331 62.300 0.059 0.000 0.905 417 V CB 1.918 33.728 31.823 -0.022 0.000 1.010 417 V HN 0.796 nan 8.190 nan 0.000 0.424 418 S N 2.322 118.123 115.700 0.169 0.000 2.550 418 S HA 0.945 5.412 4.470 -0.004 0.000 0.270 418 S C -1.219 173.395 174.600 0.023 0.000 1.145 418 S CA 0.273 58.505 58.200 0.054 0.000 0.852 418 S CB 1.958 65.158 63.200 -0.001 0.000 1.119 418 S HN 1.701 nan 8.310 nan 0.000 0.465 419 A N 2.071 124.888 122.820 -0.005 0.000 2.589 419 A HA 0.816 5.133 4.320 -0.004 0.000 0.296 419 A C -2.079 175.491 177.584 -0.023 0.000 1.062 419 A CA -0.507 51.527 52.037 -0.006 0.000 0.686 419 A CB 1.621 20.619 19.000 -0.005 0.000 1.282 419 A HN 1.105 nan 8.150 nan 0.000 0.404 420 L N 1.164 122.381 121.223 -0.009 0.000 2.476 420 L HA 0.815 5.152 4.340 -0.004 0.000 0.269 420 L C -0.924 175.861 176.870 -0.142 0.000 0.965 420 L CA 0.336 55.166 54.840 -0.016 0.000 0.845 420 L CB 2.155 44.274 42.059 0.099 0.000 1.259 420 L HN 0.673 nan 8.230 nan 0.000 0.403 421 S N 2.763 118.229 115.700 -0.389 0.000 2.572 421 S HA 0.989 5.457 4.470 -0.004 0.000 0.274 421 S C -0.283 173.817 174.600 -0.832 0.000 1.150 421 S CA -0.087 57.659 58.200 -0.756 0.000 0.944 421 S CB 1.765 64.708 63.200 -0.428 0.000 1.071 421 S HN 1.166 nan 8.310 nan 0.000 0.479 422 G N 1.428 109.498 108.800 -1.217 0.000 2.441 422 G HA2 0.431 4.388 3.960 -0.004 0.000 0.225 422 G HA3 0.431 4.388 3.960 -0.004 0.000 0.225 422 G C -2.451 172.068 174.900 -0.635 0.000 1.200 422 G CA -0.552 44.061 45.100 -0.811 0.000 0.947 422 G HN 0.460 nan 8.290 nan 0.000 0.484 423 Y N -0.500 119.809 120.300 0.014 0.000 2.409 423 Y HA 0.597 5.145 4.550 -0.004 0.000 0.339 423 Y C 0.192 176.216 175.900 0.208 0.000 1.033 423 Y CA -0.851 57.330 58.100 0.135 0.000 1.094 423 Y CB 2.551 41.057 38.460 0.077 0.000 1.210 423 Y HN 0.272 nan 8.280 nan 0.000 0.456 424 V N 4.725 124.861 119.914 0.370 0.000 2.250 424 V HA 0.305 4.422 4.120 -0.004 0.000 0.268 424 V C -2.481 173.729 176.094 0.195 0.000 1.043 424 V CA -1.921 60.508 62.300 0.215 0.000 0.814 424 V CB 0.345 32.251 31.823 0.138 0.000 1.072 424 V HN 0.539 nan 8.190 nan 0.000 0.451 425 P HA 0.539 nan 4.420 nan 0.000 0.281 425 P C 0.087 177.524 177.300 0.228 0.000 1.252 425 P CA 0.436 63.623 63.100 0.146 0.000 0.778 425 P CB 2.008 33.761 31.700 0.088 0.000 0.895 426 G N 3.095 112.015 108.800 0.201 0.000 2.623 426 G HA2 0.452 4.409 3.960 -0.004 0.000 0.290 426 G HA3 0.452 4.409 3.960 -0.004 0.000 0.290 426 G C -2.620 172.306 174.900 0.043 0.000 1.437 426 G CA -1.034 44.183 45.100 0.195 0.000 0.798 426 G HN 0.051 nan 8.290 nan 0.000 0.488 427 P HA 0.038 nan 4.420 nan 0.000 0.223 427 P C 0.962 178.232 177.300 -0.050 0.000 1.151 427 P CA 0.796 63.862 63.100 -0.057 0.000 0.787 427 P CB 0.423 32.062 31.700 -0.101 0.000 0.788 428 E N 0.078 120.241 120.200 -0.061 0.000 2.359 428 E HA 0.293 4.641 4.350 -0.004 0.000 0.187 428 E C 0.679 177.270 176.600 -0.016 0.000 1.081 428 E CA 0.179 56.534 56.400 -0.074 0.000 0.929 428 E CB -0.415 29.190 29.700 -0.158 0.000 1.086 428 E HN 0.158 nan 8.360 nan 0.000 0.462 429 G N 2.056 110.870 108.800 0.024 0.000 2.770 429 G HA2 -0.183 3.774 3.960 -0.004 0.000 0.686 429 G HA3 -0.183 3.774 3.960 -0.004 0.000 0.686 429 G C -0.882 174.078 174.900 0.099 0.000 1.180 429 G CA -0.841 44.296 45.100 0.062 0.000 0.767 429 G HN 0.164 nan 8.290 nan 0.000 0.646 430 E N 0.719 120.978 120.200 0.098 0.000 2.152 430 E HA 0.504 4.852 4.350 -0.004 0.000 0.285 430 E C 0.030 176.733 176.600 0.171 0.000 1.043 430 E CA -0.771 55.706 56.400 0.127 0.000 0.839 430 E CB 0.477 30.230 29.700 0.087 0.000 1.069 430 E HN 0.366 nan 8.360 nan 0.000 0.399 431 L N 3.203 124.554 121.223 0.213 0.000 2.360 431 L HA 0.613 4.950 4.340 -0.004 0.000 0.271 431 L C -0.210 176.842 176.870 0.303 0.000 1.057 431 L CA -0.374 54.604 54.840 0.231 0.000 0.803 431 L CB 1.614 43.799 42.059 0.210 0.000 1.207 431 L HN 0.648 nan 8.230 nan 0.000 0.445 432 A N 2.315 125.289 122.820 0.256 0.000 2.371 432 A HA 0.835 5.152 4.320 -0.004 0.000 0.311 432 A C -1.164 176.542 177.584 0.204 0.000 1.068 432 A CA -0.409 51.743 52.037 0.191 0.000 0.744 432 A CB 0.981 20.061 19.000 0.134 0.000 1.239 432 A HN 0.566 nan 8.150 nan 0.000 0.435 433 F N 0.346 120.269 119.950 -0.046 0.000 2.613 433 F HA 0.862 5.386 4.527 -0.004 0.000 0.310 433 F C -0.505 175.263 175.800 -0.053 0.000 1.085 433 F CA -0.778 57.203 58.000 -0.032 0.000 0.945 433 F CB 1.799 40.782 39.000 -0.029 0.000 1.298 433 F HN 0.493 nan 8.300 nan 0.000 0.455 434 S N 2.935 118.640 115.700 0.009 0.000 2.677 434 S HA 0.740 5.207 4.470 -0.004 0.000 0.283 434 S C -1.358 173.305 174.600 0.104 0.000 1.159 434 S CA -0.533 57.625 58.200 -0.069 0.000 1.001 434 S CB 0.754 63.919 63.200 -0.058 0.000 1.032 434 S HN 0.652 nan 8.310 nan 0.000 0.487 435 I N 4.430 125.066 120.570 0.110 0.000 2.389 435 I HA 0.544 4.711 4.170 -0.004 0.000 0.288 435 I C -0.948 175.205 176.117 0.060 0.000 0.999 435 I CA -0.886 60.483 61.300 0.115 0.000 1.129 435 I CB 1.954 40.041 38.000 0.145 0.000 1.288 435 I HN 0.279 nan 8.210 nan 0.000 0.444 436 V N 5.776 125.726 119.914 0.059 0.000 2.482 436 V HA 0.403 4.520 4.120 -0.004 0.000 0.295 436 V C -0.574 175.556 176.094 0.060 0.000 1.026 436 V CA -0.719 61.611 62.300 0.051 0.000 0.856 436 V CB 1.610 33.464 31.823 0.052 0.000 1.001 436 V HN 0.652 nan 8.190 nan 0.000 0.424 437 N N 4.202 122.944 118.700 0.069 0.000 2.408 437 N HA 0.498 5.235 4.740 -0.004 0.000 0.280 437 N C -0.918 174.700 175.510 0.180 0.000 1.002 437 N CA -0.327 52.789 53.050 0.109 0.000 0.907 437 N CB 2.057 40.575 38.487 0.052 0.000 1.161 437 N HN 0.698 nan 8.380 nan 0.000 0.488 438 N N -0.183 118.607 118.700 0.151 0.000 2.249 438 N HA 0.442 5.179 4.740 -0.004 0.000 0.296 438 N C 0.305 175.844 175.510 0.048 0.000 1.051 438 N CA -0.502 52.593 53.050 0.075 0.000 0.815 438 N CB 2.338 40.846 38.487 0.035 0.000 1.487 438 N HN 0.668 nan 8.380 nan 0.000 0.475 439 G N 0.965 109.715 108.800 -0.083 0.000 2.179 439 G HA2 -0.230 3.727 3.960 -0.004 0.000 0.220 439 G HA3 -0.230 3.727 3.960 -0.004 0.000 0.220 439 G C -0.018 174.839 174.900 -0.071 0.000 0.990 439 G CA -0.048 45.008 45.100 -0.074 0.000 0.646 439 G HN 0.844 nan 8.290 nan 0.000 0.517 440 H N 0.310 119.382 119.070 0.004 0.000 2.771 440 H HA 0.583 5.137 4.556 -0.003 0.000 0.364 440 H C 0.843 176.173 175.328 0.003 0.000 1.133 440 H CA 0.594 56.644 56.048 0.002 0.000 1.423 440 H CB 1.235 30.996 29.762 -0.002 0.000 1.425 440 H HN 0.547 nan 8.280 nan 0.000 0.606 441 S N 0.647 116.402 115.700 0.091 0.000 2.741 441 S HA 0.403 4.871 4.470 -0.004 0.000 0.247 441 S C 0.593 175.229 174.600 0.061 0.000 1.050 441 S CA -0.143 58.076 58.200 0.032 0.000 1.025 441 S CB 0.308 63.519 63.200 0.018 0.000 0.897 441 S HN 0.976 nan 8.310 nan 0.000 0.508 442 G N 1.859 110.729 108.800 0.117 0.000 3.214 442 G HA2 0.678 4.635 3.960 -0.004 0.000 0.188 442 G HA3 0.678 4.635 3.960 -0.004 0.000 0.188 442 G C -2.811 172.155 174.900 0.109 0.000 1.126 442 G CA -1.065 44.085 45.100 0.083 0.000 0.796 442 G HN 0.325 nan 8.290 nan 0.000 0.631 443 P HA 0.400 nan 4.420 nan 0.000 0.266 443 P C 0.023 177.329 177.300 0.009 0.000 1.195 443 P CA 0.091 63.211 63.100 0.033 0.000 0.768 443 P CB 0.670 32.369 31.700 -0.001 0.000 0.838 444 A N 5.080 127.892 122.820 -0.013 0.000 2.540 444 A HA 0.209 4.526 4.320 -0.004 0.000 0.239 444 A C -1.549 175.910 177.584 -0.208 0.000 1.061 444 A CA -0.789 51.157 52.037 -0.152 0.000 0.758 444 A CB -0.978 17.988 19.000 -0.058 0.000 0.991 444 A HN 0.448 nan 8.150 nan 0.000 0.502 445 P HA 0.155 nan 4.420 nan 0.000 0.226 445 P C 0.563 177.785 177.300 -0.131 0.000 1.783 445 P CA -0.011 62.965 63.100 -0.208 0.000 0.980 445 P CB -0.085 31.468 31.700 -0.244 0.000 1.967 446 L N 0.252 121.415 121.223 -0.100 0.000 2.141 446 L HA -0.105 4.232 4.340 -0.004 0.000 0.209 446 L C 2.428 179.263 176.870 -0.059 0.000 1.094 446 L CA 1.509 56.307 54.840 -0.070 0.000 0.763 446 L CB -0.851 41.174 42.059 -0.058 0.000 0.908 446 L HN 0.125 nan 8.230 nan 0.000 0.437 447 A N -0.392 122.393 122.820 -0.059 0.000 2.016 447 A HA -0.041 4.277 4.320 -0.004 0.000 0.217 447 A C 2.306 179.855 177.584 -0.058 0.000 1.162 447 A CA 0.908 52.913 52.037 -0.052 0.000 0.662 447 A CB -0.460 18.513 19.000 -0.046 0.000 0.812 447 A HN 0.173 nan 8.150 nan 0.000 0.450 448 V N -0.061 119.815 119.914 -0.063 0.000 2.358 448 V HA -0.302 3.815 4.120 -0.004 0.000 0.246 448 V C 2.594 178.648 176.094 -0.068 0.000 1.047 448 V CA 2.200 64.461 62.300 -0.065 0.000 1.035 448 V CB -0.901 30.883 31.823 -0.065 0.000 0.658 448 V HN 0.624 nan 8.190 nan 0.000 0.452 449 Q N -0.241 119.524 119.800 -0.058 0.000 2.020 449 Q HA -0.226 4.111 4.340 -0.004 0.000 0.202 449 Q C 2.155 178.121 176.000 -0.058 0.000 0.982 449 Q CA 1.941 57.722 55.803 -0.038 0.000 0.838 449 Q CB -0.284 28.445 28.738 -0.015 0.000 0.899 449 Q HN 0.598 nan 8.270 nan 0.000 0.423 450 D N 0.502 120.869 120.400 -0.056 0.000 2.106 450 D HA -0.198 4.440 4.640 -0.004 0.000 0.191 450 D C 1.799 178.045 176.300 -0.089 0.000 0.997 450 D CA 1.533 55.494 54.000 -0.065 0.000 0.834 450 D CB -0.424 40.345 40.800 -0.051 0.000 0.956 450 D HN 0.297 nan 8.370 nan 0.000 0.448 451 A N 0.714 123.483 122.820 -0.085 0.000 1.917 451 A HA -0.202 4.115 4.320 -0.004 0.000 0.219 451 A C 2.431 179.939 177.584 -0.127 0.000 1.182 451 A CA 1.347 53.330 52.037 -0.091 0.000 0.633 451 A CB -0.812 18.141 19.000 -0.078 0.000 0.819 451 A HN 0.249 nan 8.150 nan 0.000 0.448 452 I N -0.470 120.005 120.570 -0.157 0.000 2.163 452 I HA -0.248 3.920 4.170 -0.004 0.000 0.240 452 I C 2.999 178.935 176.117 -0.302 0.000 1.081 452 I CA 1.066 62.230 61.300 -0.226 0.000 1.353 452 I CB -0.502 37.357 38.000 -0.235 0.000 1.054 452 I HN 0.345 nan 8.210 nan 0.000 0.407 453 A N 0.559 123.169 122.820 -0.350 0.000 1.940 453 A HA -0.162 4.155 4.320 -0.004 0.000 0.219 453 A C 2.448 179.884 177.584 -0.248 0.000 1.176 453 A CA 1.862 53.637 52.037 -0.437 0.000 0.631 453 A CB -0.998 17.798 19.000 -0.339 0.000 0.814 453 A HN 0.263 nan 8.150 nan 0.000 0.446 454 V N -0.193 119.623 119.914 -0.163 0.000 2.343 454 V HA -0.212 3.906 4.120 -0.004 0.000 0.247 454 V C 2.704 178.750 176.094 -0.080 0.000 1.051 454 V CA 2.033 64.272 62.300 -0.101 0.000 1.036 454 V CB -0.739 31.039 31.823 -0.075 0.000 0.654 454 V HN 0.495 nan 8.190 nan 0.000 0.451 455 R N -0.380 120.060 120.500 -0.100 0.000 2.115 455 R HA -0.028 4.309 4.340 -0.004 0.000 0.230 455 R C 2.166 178.437 176.300 -0.047 0.000 1.111 455 R CA 1.209 57.266 56.100 -0.072 0.000 0.976 455 R CB -0.402 29.835 30.300 -0.105 0.000 0.870 455 R HN 0.464 nan 8.270 nan 0.000 0.445 456 L N -0.385 120.771 121.223 -0.111 0.000 2.156 456 L HA -0.056 4.281 4.340 -0.004 0.000 0.208 456 L C 2.521 179.419 176.870 0.048 0.000 1.095 456 L CA 0.973 55.771 54.840 -0.069 0.000 0.770 456 L CB -0.448 41.485 42.059 -0.210 0.000 0.914 456 L HN 0.126 nan 8.230 nan 0.000 0.439 457 A N 0.072 122.892 122.820 0.000 0.000 1.969 457 A HA -0.165 4.152 4.320 -0.004 0.000 0.218 457 A C 2.128 179.796 177.584 0.140 0.000 1.169 457 A CA 1.253 53.322 52.037 0.053 0.000 0.635 457 A CB -0.253 18.720 19.000 -0.046 0.000 0.810 457 A HN 0.446 nan 8.150 nan 0.000 0.445 458 E N -1.814 118.444 120.200 0.097 0.000 2.152 458 E HA -0.147 4.200 4.350 -0.004 0.000 0.192 458 E C 1.755 178.416 176.600 0.102 0.000 0.983 458 E CA 1.087 57.542 56.400 0.092 0.000 0.818 458 E CB -0.266 29.468 29.700 0.057 0.000 0.758 458 E HN 0.782 nan 8.360 nan 0.000 0.467 459 Y N 1.263 121.566 120.300 0.006 0.000 2.242 459 Y HA -0.121 4.426 4.550 -0.004 0.000 0.291 459 Y C 2.127 178.040 175.900 0.022 0.000 1.137 459 Y CA 1.280 59.383 58.100 0.005 0.000 1.181 459 Y CB -0.043 38.411 38.460 -0.009 0.000 0.989 459 Y HN -0.023 nan 8.280 nan 0.000 0.527 460 A N -0.404 122.502 122.820 0.144 0.000 2.235 460 A HA 0.313 4.630 4.320 -0.004 0.000 0.208 460 A C 1.582 179.161 177.584 -0.008 0.000 1.172 460 A CA 0.838 52.933 52.037 0.095 0.000 0.786 460 A CB -1.260 17.871 19.000 0.219 0.000 0.804 460 A HN 0.910 nan 8.150 nan 0.000 0.479 461 G N -0.701 108.071 108.800 -0.048 0.000 2.270 461 G HA2 -0.140 3.818 3.960 -0.004 0.000 0.224 461 G HA3 -0.140 3.818 3.960 -0.004 0.000 0.224 461 G C -0.257 174.487 174.900 -0.259 0.000 1.079 461 G CA 0.042 45.053 45.100 -0.148 0.000 0.807 461 G HN 0.671 nan 8.290 nan 0.000 0.492 462 H N -0.721 118.341 119.070 -0.012 0.000 2.710 462 H HA 0.695 5.248 4.556 -0.004 0.000 0.361 462 H C -0.120 175.203 175.328 -0.008 0.000 1.175 462 H CA -0.294 55.749 56.048 -0.007 0.000 1.206 462 H CB 2.005 31.767 29.762 0.000 0.000 1.750 462 H HN 0.341 nan 8.280 nan 0.000 0.553 463 Q N -0.021 119.857 119.800 0.130 0.000 2.423 463 Q HA 0.533 4.870 4.340 -0.004 0.000 0.278 463 Q C -0.796 175.237 176.000 0.056 0.000 1.097 463 Q CA -0.925 54.916 55.803 0.064 0.000 0.809 463 Q CB 2.544 31.300 28.738 0.031 0.000 1.391 463 Q HN 0.758 nan 8.270 nan 0.000 0.428 464 A N 2.908 125.746 122.820 0.031 0.000 2.524 464 A HA 0.418 4.735 4.320 -0.004 0.000 0.250 464 A C -1.942 175.652 177.584 0.018 0.000 1.078 464 A CA -0.797 51.251 52.037 0.018 0.000 0.761 464 A CB -0.704 18.300 19.000 0.007 0.000 1.012 464 A HN 0.474 nan 8.150 nan 0.000 0.500 465 P HA 0.200 nan 4.420 nan 0.000 0.269 465 P C -0.276 177.030 177.300 0.009 0.000 1.209 465 P CA 0.164 63.273 63.100 0.015 0.000 0.776 465 P CB 0.876 32.585 31.700 0.014 0.000 0.876 466 E N -0.024 120.181 120.200 0.008 0.000 2.633 466 E HA 0.346 4.693 4.350 -0.004 0.000 0.222 466 E C 0.628 177.232 176.600 0.005 0.000 0.899 466 E CA -0.257 56.147 56.400 0.006 0.000 1.292 466 E CB 1.032 30.735 29.700 0.004 0.000 1.257 466 E HN 0.673 nan 8.360 nan 0.000 0.626 467 G N 0.000 108.804 108.800 0.007 0.000 5.446 467 G HA2 0.000 3.957 3.960 -0.004 0.000 0.244 467 G HA3 0.000 3.957 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