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 2xdm_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 GHQAPE 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 0.000 176.462 176.300 0.270 0.000 0.893 1 R CA 0.000 56.210 56.100 0.183 0.000 0.921 1 R CB 0.000 30.399 30.300 0.164 0.000 0.687 2 L N 1.866 123.218 121.223 0.215 0.000 2.056 2 L HA -0.094 4.244 4.340 -0.004 0.000 0.207 2 L C 2.027 178.924 176.870 0.046 0.000 1.078 2 L CA 2.345 57.252 54.840 0.112 0.000 0.749 2 L CB -0.208 41.913 42.059 0.103 0.000 0.901 2 L HN 0.303 nan 8.230 nan 0.000 0.433 3 T N -3.423 111.165 114.554 0.057 0.000 2.759 3 T HA -0.293 4.055 4.350 -0.004 0.000 0.269 3 T C 1.656 176.378 174.700 0.038 0.000 1.042 3 T CA 1.628 63.752 62.100 0.040 0.000 1.140 3 T CB -0.371 68.519 68.868 0.036 0.000 0.864 3 T HN 0.440 nan 8.240 nan 0.000 0.455 4 E N 0.321 120.548 120.200 0.046 0.000 2.158 4 E HA -0.011 4.337 4.350 -0.004 0.000 0.191 4 E C 2.093 178.705 176.600 0.019 0.000 0.982 4 E CA 0.416 56.838 56.400 0.038 0.000 0.823 4 E CB -0.115 29.615 29.700 0.050 0.000 0.766 4 E HN 0.446 nan 8.360 nan 0.000 0.468 5 L N 1.313 122.536 121.223 -0.001 0.000 2.141 5 L HA -0.126 4.211 4.340 -0.004 0.000 0.209 5 L C 2.170 179.004 176.870 -0.061 0.000 1.094 5 L CA 1.526 56.313 54.840 -0.088 0.000 0.763 5 L CB -0.155 41.724 42.059 -0.301 0.000 0.908 5 L HN -0.021 nan 8.230 nan 0.000 0.437 6 R N -0.371 120.146 120.500 0.029 0.000 2.075 6 R HA -0.130 4.208 4.340 -0.004 0.000 0.232 6 R C 2.145 178.520 176.300 0.124 0.000 1.126 6 R CA 1.650 57.849 56.100 0.164 0.000 0.963 6 R CB -0.435 29.948 30.300 0.137 0.000 0.858 6 R HN 0.493 nan 8.270 nan 0.000 0.435 7 E N 0.591 120.825 120.200 0.057 0.000 2.085 7 E HA -0.191 4.157 4.350 -0.004 0.000 0.194 7 E C 1.546 178.152 176.600 0.010 0.000 0.994 7 E CA 1.375 57.796 56.400 0.036 0.000 0.801 7 E CB -0.003 29.711 29.700 0.023 0.000 0.743 7 E HN 0.285 nan 8.360 nan 0.000 0.453 8 D N 0.279 120.668 120.400 -0.018 0.000 2.117 8 D HA -0.098 4.540 4.640 -0.004 0.000 0.198 8 D C 1.980 178.224 176.300 -0.093 0.000 0.982 8 D CA 0.859 54.829 54.000 -0.049 0.000 0.828 8 D CB -0.060 40.707 40.800 -0.055 0.000 0.967 8 D HN 0.204 nan 8.370 nan 0.000 0.464 9 I N 0.967 121.442 120.570 -0.158 0.000 2.353 9 I HA -0.198 3.970 4.170 -0.004 0.000 0.248 9 I C 1.788 177.821 176.117 -0.140 0.000 1.119 9 I CA 0.725 61.850 61.300 -0.291 0.000 1.417 9 I CB -0.080 37.472 38.000 -0.746 0.000 1.078 9 I HN -0.184 nan 8.210 nan 0.000 0.421 10 D N 1.409 121.820 120.400 0.018 0.000 2.106 10 D HA -0.216 4.422 4.640 -0.004 0.000 0.191 10 D C 2.278 178.590 176.300 0.021 0.000 0.997 10 D CA 1.852 55.902 54.000 0.083 0.000 0.834 10 D CB -0.225 40.633 40.800 0.097 0.000 0.956 10 D HN 0.347 nan 8.370 nan 0.000 0.448 11 A N 0.155 122.973 122.820 -0.003 0.000 1.898 11 A HA -0.116 4.201 4.320 -0.004 0.000 0.216 11 A C 2.370 179.937 177.584 -0.028 0.000 1.181 11 A CA 0.907 52.937 52.037 -0.012 0.000 0.620 11 A CB -0.709 18.282 19.000 -0.015 0.000 0.819 11 A HN 0.219 nan 8.150 nan 0.000 0.442 12 I N -0.332 120.207 120.570 -0.053 0.000 2.226 12 I HA -0.246 3.921 4.170 -0.004 0.000 0.245 12 I C 2.053 178.137 176.117 -0.055 0.000 1.100 12 I CA 1.149 62.409 61.300 -0.067 0.000 1.374 12 I CB -0.203 37.733 38.000 -0.107 0.000 1.057 12 I HN 0.263 nan 8.210 nan 0.000 0.413 13 L N 0.115 121.310 121.223 -0.045 0.000 2.552 13 L HA -0.067 4.271 4.340 -0.004 0.000 0.227 13 L C 1.780 178.648 176.870 -0.004 0.000 1.146 13 L CA 0.391 55.218 54.840 -0.021 0.000 0.858 13 L CB -0.357 41.707 42.059 0.008 0.000 0.969 13 L HN 0.189 nan 8.230 nan 0.000 0.451 14 E N 0.002 120.199 120.200 -0.005 0.000 2.512 14 E HA -0.044 4.303 4.350 -0.004 0.000 0.195 14 E C 0.233 176.829 176.600 -0.006 0.000 1.083 14 E CA 0.107 56.507 56.400 0.000 0.000 0.873 14 E CB -0.277 29.424 29.700 0.002 0.000 0.897 14 E HN 0.342 nan 8.360 nan 0.000 0.514 15 D N 1.482 121.873 120.400 -0.015 0.000 2.455 15 D HA -0.039 4.598 4.640 -0.004 0.000 0.241 15 D C -1.364 174.930 176.300 -0.011 0.000 1.138 15 D CA -1.409 52.580 54.000 -0.018 0.000 0.877 15 D CB 1.442 42.223 40.800 -0.032 0.000 1.187 15 D HN -0.073 nan 8.370 nan 0.000 0.451 16 P HA -0.172 nan 4.420 nan 0.000 0.218 16 P C 0.839 178.140 177.300 0.002 0.000 1.146 16 P CA 0.924 64.024 63.100 -0.001 0.000 0.820 16 P CB 0.096 31.794 31.700 -0.002 0.000 0.778 17 A N -0.617 122.198 122.820 -0.009 0.000 2.119 17 A HA -0.027 4.291 4.320 -0.004 0.000 0.217 17 A C 2.002 179.585 177.584 -0.002 0.000 1.153 17 A CA 0.760 52.791 52.037 -0.011 0.000 0.692 17 A CB -1.149 17.826 19.000 -0.041 0.000 0.799 17 A HN 0.197 nan 8.150 nan 0.000 0.458 18 L N 0.069 121.291 121.223 -0.002 0.000 2.728 18 L HA 0.151 4.489 4.340 -0.004 0.000 0.235 18 L C 0.327 177.223 176.870 0.043 0.000 1.197 18 L CA -0.393 54.459 54.840 0.020 0.000 0.992 18 L CB -0.053 42.005 42.059 -0.002 0.000 1.263 18 L HN 0.236 nan 8.230 nan 0.000 0.484 19 E N 1.049 121.273 120.200 0.041 0.000 2.415 19 E HA 0.211 4.558 4.350 -0.004 0.000 0.260 19 E C 1.216 177.843 176.600 0.045 0.000 1.016 19 E CA 0.852 57.274 56.400 0.036 0.000 0.924 19 E CB 0.367 30.084 29.700 0.027 0.000 0.961 19 E HN 0.327 nan 8.360 nan 0.000 0.459 20 G N 2.740 111.562 108.800 0.036 0.000 2.148 20 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.254 20 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.254 20 G C 0.244 175.169 174.900 0.041 0.000 0.981 20 G CA 0.209 45.328 45.100 0.032 0.000 0.670 20 G HN 0.873 nan 8.290 nan 0.000 0.528 21 A N -0.543 122.313 122.820 0.060 0.000 2.312 21 A HA 0.822 5.139 4.320 -0.004 0.000 0.328 21 A C 0.203 177.824 177.584 0.061 0.000 1.158 21 A CA -0.150 51.936 52.037 0.081 0.000 0.821 21 A CB 1.706 20.787 19.000 0.135 0.000 1.170 21 A HN 1.130 nan 8.150 nan 0.000 0.490 22 V N 1.748 121.697 119.914 0.060 0.000 2.439 22 V HA 0.500 4.618 4.120 -0.004 0.000 0.282 22 V C 0.198 176.329 176.094 0.061 0.000 1.039 22 V CA -0.228 62.103 62.300 0.051 0.000 0.913 22 V CB 1.274 33.120 31.823 0.040 0.000 0.983 22 V HN 0.808 nan 8.190 nan 0.000 0.460 23 S N 2.954 118.688 115.700 0.057 0.000 2.707 23 S HA 0.562 5.030 4.470 -0.004 0.000 0.312 23 S C 0.345 174.986 174.600 0.068 0.000 1.116 23 S CA -0.533 57.703 58.200 0.060 0.000 1.078 23 S CB 1.551 64.781 63.200 0.050 0.000 0.997 23 S HN 1.061 nan 8.310 nan 0.000 0.477 24 G N 2.041 110.883 108.800 0.069 0.000 2.356 24 G HA2 0.509 4.466 3.960 -0.004 0.000 0.300 24 G HA3 0.509 4.466 3.960 -0.004 0.000 0.300 24 G C -0.633 174.327 174.900 0.101 0.000 1.107 24 G CA -0.295 44.852 45.100 0.078 0.000 0.960 24 G HN 0.580 nan 8.290 nan 0.000 0.418 25 V N 3.267 123.264 119.914 0.139 0.000 2.483 25 V HA 0.515 4.633 4.120 -0.004 0.000 0.297 25 V C -0.375 175.866 176.094 0.245 0.000 1.027 25 V CA -0.704 61.709 62.300 0.189 0.000 0.855 25 V CB 1.645 33.590 31.823 0.204 0.000 0.995 25 V HN 0.518 nan 8.190 nan 0.000 0.424 26 V N 5.150 125.187 119.914 0.204 0.000 2.760 26 V HA 0.674 4.791 4.120 -0.004 0.000 0.309 26 V C -0.711 175.496 176.094 0.188 0.000 1.077 26 V CA -0.584 61.824 62.300 0.181 0.000 0.910 26 V CB 2.425 34.314 31.823 0.110 0.000 1.008 26 V HN 0.612 nan 8.190 nan 0.000 0.424 27 V N 4.680 124.704 119.914 0.183 0.000 2.623 27 V HA 0.656 4.774 4.120 -0.004 0.000 0.304 27 V C -0.750 175.416 176.094 0.119 0.000 1.054 27 V CA -0.584 61.810 62.300 0.157 0.000 0.882 27 V CB 2.087 33.981 31.823 0.118 0.000 1.002 27 V HN 0.579 nan 8.190 nan 0.000 0.424 28 V N 2.689 122.672 119.914 0.115 0.000 2.638 28 V HA 0.432 4.550 4.120 -0.004 0.000 0.306 28 V C -0.727 175.437 176.094 0.116 0.000 1.052 28 V CA -0.592 61.768 62.300 0.099 0.000 0.885 28 V CB 2.290 34.162 31.823 0.082 0.000 0.999 28 V HN 0.932 nan 8.190 nan 0.000 0.424 29 D N 2.544 123.011 120.400 0.111 0.000 2.358 29 D HA 0.081 4.718 4.640 -0.004 0.000 0.258 29 D C 0.953 177.316 176.300 0.105 0.000 1.223 29 D CA 0.465 54.537 54.000 0.121 0.000 0.886 29 D CB 1.884 42.754 40.800 0.117 0.000 1.120 29 D HN 0.613 nan 8.370 nan 0.000 0.482 30 T N 2.309 116.934 114.554 0.118 0.000 3.088 30 T HA 0.106 4.454 4.350 -0.004 0.000 0.259 30 T C 1.480 176.227 174.700 0.078 0.000 1.122 30 T CA 1.007 63.173 62.100 0.110 0.000 1.095 30 T CB 0.218 69.180 68.868 0.157 0.000 0.930 30 T HN 0.493 nan 8.240 nan 0.000 0.508 31 A N 1.008 123.870 122.820 0.070 0.000 1.850 31 A HA 0.015 4.333 4.320 -0.004 0.000 0.212 31 A C 2.564 180.173 177.584 0.042 0.000 1.208 31 A CA 1.892 53.958 52.037 0.049 0.000 0.609 31 A CB -1.118 17.909 19.000 0.045 0.000 0.860 31 A HN 0.582 nan 8.150 nan 0.000 0.448 32 T N -4.396 110.187 114.554 0.049 0.000 2.942 32 T HA 0.352 4.700 4.350 -0.004 0.000 0.265 32 T C 1.551 176.275 174.700 0.040 0.000 1.062 32 T CA 1.492 63.617 62.100 0.041 0.000 1.139 32 T CB -0.106 68.789 68.868 0.046 0.000 0.883 32 T HN 1.787 nan 8.240 nan 0.000 0.468 33 G N 1.064 109.893 108.800 0.049 0.000 2.176 33 G HA2 -0.236 3.721 3.960 -0.004 0.000 0.232 33 G HA3 -0.236 3.721 3.960 -0.004 0.000 0.232 33 G C -0.158 174.770 174.900 0.047 0.000 0.986 33 G CA 0.159 45.287 45.100 0.046 0.000 0.643 33 G HN 0.856 nan 8.290 nan 0.000 0.522 34 E N 1.039 121.270 120.200 0.052 0.000 2.417 34 E HA 0.264 4.612 4.350 -0.004 0.000 0.261 34 E C 0.272 176.905 176.600 0.055 0.000 1.000 34 E CA -0.165 56.266 56.400 0.051 0.000 0.919 34 E CB 0.236 29.971 29.700 0.059 0.000 0.955 34 E HN 0.431 nan 8.360 nan 0.000 0.455 35 E N 4.861 125.087 120.200 0.043 0.000 2.166 35 E HA 0.026 4.374 4.350 -0.004 0.000 0.279 35 E C 0.486 177.110 176.600 0.039 0.000 1.095 35 E CA -0.164 56.261 56.400 0.042 0.000 0.888 35 E CB 0.516 30.230 29.700 0.023 0.000 1.041 35 E HN 0.659 nan 8.360 nan 0.000 0.414 36 L N 4.688 125.944 121.223 0.056 0.000 2.307 36 L HA 0.124 4.462 4.340 -0.004 0.000 0.211 36 L C 0.140 177.063 176.870 0.089 0.000 1.099 36 L CA 0.305 55.169 54.840 0.041 0.000 0.816 36 L CB 0.186 42.242 42.059 -0.004 0.000 0.952 36 L HN 0.560 nan 8.230 nan 0.000 0.455 37 Y N -1.032 119.244 120.300 -0.039 0.000 2.480 37 Y HA 0.479 5.027 4.550 -0.004 0.000 0.329 37 Y C -1.012 174.882 175.900 -0.010 0.000 1.127 37 Y CA -0.909 57.169 58.100 -0.037 0.000 1.037 37 Y CB 1.956 40.381 38.460 -0.059 0.000 1.320 37 Y HN -0.264 nan 8.280 nan 0.000 0.446 38 S N 5.944 121.403 115.700 -0.400 0.000 2.603 38 S HA 0.683 5.151 4.470 -0.004 0.000 0.274 38 S C -1.973 172.437 174.600 -0.316 0.000 1.168 38 S CA -0.688 57.398 58.200 -0.191 0.000 0.963 38 S CB 1.048 64.186 63.200 -0.103 0.000 1.078 38 S HN 0.804 nan 8.310 nan 0.000 0.477 39 R N 3.307 123.753 120.500 -0.091 0.000 2.508 39 R HA 0.282 4.620 4.340 -0.004 0.000 0.283 39 R C -1.234 175.082 176.300 0.026 0.000 1.120 39 R CA -0.261 55.812 56.100 -0.045 0.000 0.958 39 R CB 0.688 31.014 30.300 0.042 0.000 1.215 39 R HN 0.768 nan 8.270 nan 0.000 0.427 40 D N 2.922 123.327 120.400 0.007 0.000 2.701 40 D HA -0.170 4.467 4.640 -0.004 0.000 0.235 40 D C 0.957 177.276 176.300 0.031 0.000 1.155 40 D CA 1.448 55.460 54.000 0.021 0.000 0.649 40 D CB -0.874 39.946 40.800 0.033 0.000 1.050 40 D HN 0.913 nan 8.370 nan 0.000 0.425 41 G N 0.102 108.916 108.800 0.024 0.000 2.448 41 G HA2 -0.022 3.936 3.960 -0.004 0.000 0.219 41 G HA3 -0.022 3.936 3.960 -0.004 0.000 0.219 41 G C 1.432 176.353 174.900 0.036 0.000 1.127 41 G CA 0.834 45.956 45.100 0.036 0.000 0.766 41 G HN 0.489 nan 8.290 nan 0.000 0.552 42 G N -0.571 108.244 108.800 0.025 0.000 3.277 42 G HA2 0.329 4.287 3.960 -0.004 0.000 0.243 42 G HA3 0.329 4.287 3.960 -0.004 0.000 0.243 42 G C 0.156 175.069 174.900 0.021 0.000 1.107 42 G CA -0.239 44.875 45.100 0.023 0.000 0.771 42 G HN 0.351 nan 8.290 nan 0.000 0.544 43 E N 0.915 121.130 120.200 0.024 0.000 2.338 43 E HA 0.241 4.589 4.350 -0.004 0.000 0.272 43 E C 0.215 176.830 176.600 0.024 0.000 1.029 43 E CA -0.067 56.346 56.400 0.022 0.000 0.872 43 E CB 0.430 30.145 29.700 0.025 0.000 1.015 43 E HN 0.215 nan 8.360 nan 0.000 0.417 44 Q N 3.492 123.302 119.800 0.016 0.000 2.314 44 Q HA 0.385 4.723 4.340 -0.004 0.000 0.257 44 Q C -0.748 175.261 176.000 0.015 0.000 0.975 44 Q CA -0.158 55.651 55.803 0.012 0.000 0.933 44 Q CB 0.671 29.410 28.738 0.002 0.000 1.195 44 Q HN 0.460 nan 8.270 nan 0.000 0.426 45 L N 2.366 123.601 121.223 0.019 0.000 2.393 45 L HA 0.492 4.830 4.340 -0.004 0.000 0.260 45 L C -0.549 176.333 176.870 0.019 0.000 1.002 45 L CA -1.021 53.833 54.840 0.024 0.000 0.818 45 L CB 1.669 43.750 42.059 0.037 0.000 1.369 45 L HN 0.421 nan 8.230 nan 0.000 0.412 46 L N 3.025 124.257 121.223 0.015 0.000 2.455 46 L HA 0.141 4.478 4.340 -0.004 0.000 0.272 46 L C -1.533 175.350 176.870 0.021 0.000 1.174 46 L CA -1.053 53.793 54.840 0.009 0.000 0.869 46 L CB 0.421 42.476 42.059 -0.006 0.000 1.130 46 L HN 0.448 nan 8.230 nan 0.000 0.474 47 P HA 0.088 nan 4.420 nan 0.000 0.264 47 P C 0.751 178.067 177.300 0.028 0.000 1.259 47 P CA 0.729 63.859 63.100 0.051 0.000 0.841 47 P CB 0.729 32.487 31.700 0.098 0.000 1.232 48 A N 0.766 123.587 122.820 0.001 0.000 5.395 48 A HA -0.302 4.016 4.320 -0.004 0.000 0.324 48 A C 1.831 179.412 177.584 -0.005 0.000 1.813 48 A CA 2.171 54.189 52.037 -0.031 0.000 0.714 48 A CB -2.416 16.549 19.000 -0.057 0.000 1.374 48 A HN 0.196 nan 8.150 nan 0.000 0.390 49 S N 0.868 116.551 115.700 -0.028 0.000 2.607 49 S HA -0.012 4.455 4.470 -0.004 0.000 0.224 49 S C 1.281 175.880 174.600 -0.002 0.000 0.969 49 S CA 0.958 59.150 58.200 -0.013 0.000 0.927 49 S CB -0.533 62.637 63.200 -0.051 0.000 0.772 49 S HN 0.616 nan 8.310 nan 0.000 0.533 50 N N 1.735 120.442 118.700 0.012 0.000 2.443 50 N HA -0.029 4.708 4.740 -0.004 0.000 0.184 50 N C 1.421 177.022 175.510 0.153 0.000 1.037 50 N CA 0.518 53.586 53.050 0.030 0.000 0.896 50 N CB -0.349 38.160 38.487 0.037 0.000 0.959 50 N HN 0.282 nan 8.380 nan 0.000 0.442 51 M N 1.003 120.722 119.600 0.199 0.000 2.213 51 M HA -0.069 4.409 4.480 -0.004 0.000 0.263 51 M C 1.284 177.782 176.300 0.330 0.000 1.062 51 M CA 1.485 56.977 55.300 0.319 0.000 1.105 51 M CB -0.056 32.658 32.600 0.191 0.000 1.385 51 M HN -0.060 nan 8.290 nan 0.000 0.417 52 K N -0.337 120.181 120.400 0.197 0.000 2.211 52 K HA -0.137 4.181 4.320 -0.004 0.000 0.204 52 K C 1.863 178.550 176.600 0.145 0.000 1.047 52 K CA 1.236 57.628 56.287 0.175 0.000 0.935 52 K CB -0.476 32.003 32.500 -0.036 0.000 0.728 52 K HN 0.413 nan 8.250 nan 0.000 0.452 53 L N -0.243 121.023 121.223 0.072 0.000 2.042 53 L HA -0.207 4.131 4.340 -0.004 0.000 0.210 53 L C 2.167 179.130 176.870 0.156 0.000 1.076 53 L CA 1.522 56.400 54.840 0.062 0.000 0.749 53 L CB -0.443 41.516 42.059 -0.167 0.000 0.893 53 L HN 0.114 nan 8.230 nan 0.000 0.432 54 F N -0.506 119.574 119.950 0.217 0.000 2.163 54 F HA -0.166 4.360 4.527 -0.002 0.000 0.297 54 F C 2.660 178.555 175.800 0.159 0.000 1.094 54 F CA 1.437 59.536 58.000 0.165 0.000 1.290 54 F CB -0.980 38.090 39.000 0.116 0.000 1.017 54 F HN -0.027 nan 8.300 nan 0.000 0.483 55 T N 0.116 114.897 114.554 0.380 0.000 2.652 55 T HA -0.232 4.115 4.350 -0.004 0.000 0.267 55 T C 2.322 177.192 174.700 0.284 0.000 1.039 55 T CA 1.443 63.728 62.100 0.309 0.000 1.153 55 T CB -0.771 68.317 68.868 0.366 0.000 0.863 55 T HN 0.297 nan 8.240 nan 0.000 0.428 56 A N 1.559 124.603 122.820 0.374 0.000 1.908 56 A HA 0.067 4.385 4.320 -0.004 0.000 0.218 56 A C 2.661 180.317 177.584 0.121 0.000 1.181 56 A CA 2.056 54.315 52.037 0.370 0.000 0.627 56 A CB -1.197 18.057 19.000 0.423 0.000 0.818 56 A HN 0.529 nan 8.150 nan 0.000 0.445 57 A N -0.347 122.509 122.820 0.060 0.000 1.902 57 A HA 0.179 4.496 4.320 -0.004 0.000 0.217 57 A C 2.493 179.897 177.584 -0.300 0.000 1.181 57 A CA 2.096 53.892 52.037 -0.401 0.000 0.623 57 A CB -0.960 17.858 19.000 -0.303 0.000 0.818 57 A HN 1.081 nan 8.150 nan 0.000 0.443 58 A N -0.341 122.447 122.820 -0.052 0.000 1.930 58 A HA 0.256 4.574 4.320 -0.004 0.000 0.217 58 A C 2.445 179.993 177.584 -0.060 0.000 1.175 58 A CA 1.774 53.805 52.037 -0.010 0.000 0.627 58 A CB -0.836 18.205 19.000 0.068 0.000 0.815 58 A HN 0.977 nan 8.150 nan 0.000 0.443 59 A N -0.132 122.653 122.820 -0.058 0.000 1.930 59 A HA 0.014 4.332 4.320 -0.004 0.000 0.217 59 A C 2.113 179.600 177.584 -0.161 0.000 1.175 59 A CA 1.361 53.359 52.037 -0.065 0.000 0.627 59 A CB -0.544 18.464 19.000 0.013 0.000 0.815 59 A HN 0.462 nan 8.150 nan 0.000 0.443 60 L N -0.745 120.272 121.223 -0.343 0.000 2.093 60 L HA -0.140 4.197 4.340 -0.004 0.000 0.208 60 L C 2.630 179.255 176.870 -0.408 0.000 1.085 60 L CA 1.087 55.588 54.840 -0.564 0.000 0.755 60 L CB -0.476 40.830 42.059 -1.256 0.000 0.904 60 L HN 0.343 nan 8.230 nan 0.000 0.435 61 E N -0.126 119.919 120.200 -0.258 0.000 2.046 61 E HA -0.131 4.217 4.350 -0.004 0.000 0.190 61 E C 2.343 178.958 176.600 0.026 0.000 0.982 61 E CA 1.104 57.541 56.400 0.061 0.000 0.800 61 E CB -0.076 29.711 29.700 0.145 0.000 0.756 61 E HN 0.278 nan 8.360 nan 0.000 0.449 62 V N 1.146 121.044 119.914 -0.027 0.000 2.302 62 V HA -0.158 3.960 4.120 -0.004 0.000 0.243 62 V C 2.408 178.464 176.094 -0.064 0.000 1.036 62 V CA 1.214 63.497 62.300 -0.028 0.000 1.020 62 V CB -0.312 31.491 31.823 -0.033 0.000 0.657 62 V HN 0.155 nan 8.190 nan 0.000 0.453 63 L N -0.437 120.707 121.223 -0.131 0.000 2.249 63 L HA 0.456 4.794 4.340 -0.004 0.000 0.207 63 L C 1.150 177.969 176.870 -0.086 0.000 1.090 63 L CA 0.810 55.491 54.840 -0.265 0.000 0.802 63 L CB -0.599 41.157 42.059 -0.505 0.000 0.947 63 L HN 0.533 nan 8.230 nan 0.000 0.453 64 G N -0.586 108.184 108.800 -0.050 0.000 2.692 64 G HA2 -0.094 3.864 3.960 -0.004 0.000 0.686 64 G HA3 -0.094 3.864 3.960 -0.004 0.000 0.686 64 G C 0.445 175.360 174.900 0.025 0.000 1.243 64 G CA -0.348 44.763 45.100 0.017 0.000 0.782 64 G HN 0.204 nan 8.290 nan 0.000 0.625 65 A N 0.026 122.878 122.820 0.053 0.000 2.121 65 A HA 0.179 4.497 4.320 -0.004 0.000 0.218 65 A C 1.874 179.492 177.584 0.056 0.000 1.154 65 A CA 2.270 54.348 52.037 0.068 0.000 0.679 65 A CB -0.395 18.680 19.000 0.124 0.000 0.795 65 A HN 1.327 nan 8.150 nan 0.000 0.458 66 D N -2.385 118.043 120.400 0.046 0.000 2.350 66 D HA 0.060 4.698 4.640 -0.004 0.000 0.213 66 D C 0.719 176.992 176.300 -0.046 0.000 1.031 66 D CA -0.025 53.979 54.000 0.007 0.000 0.861 66 D CB -0.521 40.285 40.800 0.010 0.000 0.926 66 D HN 0.580 nan 8.370 nan 0.000 0.520 67 H N 0.736 119.718 119.070 -0.146 0.000 2.803 67 H HA 0.348 4.902 4.556 -0.004 0.000 0.330 67 H C 0.032 175.090 175.328 -0.451 0.000 1.057 67 H CA -0.133 55.751 56.048 -0.274 0.000 1.458 67 H CB 0.603 30.202 29.762 -0.272 0.000 1.470 67 H HN 0.117 nan 8.280 nan 0.000 0.560 68 S N 3.674 118.850 115.700 -0.872 0.000 2.715 68 S HA 0.636 5.103 4.470 -0.004 0.000 0.307 68 S C -1.073 172.869 174.600 -1.095 0.000 1.119 68 S CA -0.936 56.775 58.200 -0.815 0.000 0.937 68 S CB 1.434 64.385 63.200 -0.415 0.000 1.150 68 S HN 0.420 nan 8.310 nan 0.000 0.521 69 F N -0.469 119.338 119.950 -0.238 0.000 2.546 69 F HA 0.750 5.275 4.527 -0.004 0.000 0.320 69 F C 0.766 176.417 175.800 -0.248 0.000 1.076 69 F CA -0.623 57.251 58.000 -0.210 0.000 0.928 69 F CB 2.313 41.241 39.000 -0.120 0.000 1.189 69 F HN 0.958 nan 8.300 nan 0.000 0.465 70 G N 0.286 109.029 108.800 -0.094 0.000 2.448 70 G HA2 0.644 4.601 3.960 -0.004 0.000 0.324 70 G HA3 0.644 4.601 3.960 -0.004 0.000 0.324 70 G C -1.439 173.363 174.900 -0.163 0.000 1.203 70 G CA -0.663 44.339 45.100 -0.164 0.000 0.954 70 G HN 0.524 nan 8.290 nan 0.000 0.480 71 T N 0.782 115.272 114.554 -0.106 0.000 2.876 71 T HA 0.626 4.974 4.350 -0.004 0.000 0.289 71 T C -0.592 174.049 174.700 -0.098 0.000 1.014 71 T CA -0.630 61.402 62.100 -0.113 0.000 0.986 71 T CB 1.908 70.734 68.868 -0.070 0.000 1.021 71 T HN 0.794 nan 8.240 nan 0.000 0.458 72 E N 0.585 120.711 120.200 -0.123 0.000 2.429 72 E HA 0.725 5.073 4.350 -0.004 0.000 0.276 72 E C -1.719 174.830 176.600 -0.085 0.000 0.953 72 E CA -1.065 55.284 56.400 -0.086 0.000 0.787 72 E CB 1.646 31.304 29.700 -0.070 0.000 1.307 72 E HN 0.274 nan 8.360 nan 0.000 0.458 73 V N 0.314 120.209 119.914 -0.031 0.000 2.495 73 V HA 0.768 4.885 4.120 -0.004 0.000 0.298 73 V C -0.654 175.510 176.094 0.117 0.000 1.031 73 V CA -0.434 61.883 62.300 0.028 0.000 0.871 73 V CB 1.250 33.116 31.823 0.072 0.000 0.988 73 V HN 0.851 nan 8.190 nan 0.000 0.432 74 A N 3.601 126.548 122.820 0.212 0.000 2.375 74 A HA 0.946 5.263 4.320 -0.004 0.000 0.295 74 A C -0.347 177.511 177.584 0.457 0.000 1.066 74 A CA -0.165 52.040 52.037 0.280 0.000 0.722 74 A CB 1.549 20.703 19.000 0.256 0.000 1.206 74 A HN 1.320 nan 8.150 nan 0.000 0.435 75 A N 1.051 124.036 122.820 0.275 0.000 2.322 75 A HA 0.700 5.018 4.320 -0.004 0.000 0.327 75 A C 0.787 178.168 177.584 -0.338 0.000 1.134 75 A CA 0.035 52.147 52.037 0.126 0.000 0.831 75 A CB 0.879 19.908 19.000 0.048 0.000 1.288 75 A HN 0.967 nan 8.150 nan 0.000 0.472 76 E N 0.041 119.637 120.200 -1.007 0.000 2.153 76 E HA -0.073 4.275 4.350 -0.004 0.000 0.194 76 E C 0.598 176.849 176.600 -0.581 0.000 0.988 76 E CA 1.362 56.919 56.400 -1.405 0.000 0.811 76 E CB 0.056 28.815 29.700 -1.569 0.000 0.746 76 E HN 0.754 nan 8.360 nan 0.000 0.466 77 S N -1.546 113.947 115.700 -0.345 0.000 2.596 77 S HA 0.683 5.151 4.470 -0.004 0.000 0.270 77 S C -0.485 174.049 174.600 -0.110 0.000 1.155 77 S CA -0.668 57.420 58.200 -0.187 0.000 0.827 77 S CB 1.399 64.503 63.200 -0.160 0.000 1.130 77 S HN 0.225 nan 8.310 nan 0.000 0.467 78 A N 1.910 124.689 122.820 -0.069 0.000 2.492 78 A HA 0.611 4.929 4.320 -0.004 0.000 0.236 78 A C -2.086 175.478 177.584 -0.032 0.000 1.078 78 A CA -0.831 51.183 52.037 -0.037 0.000 0.773 78 A CB -1.039 17.945 19.000 -0.027 0.000 1.023 78 A HN 0.760 nan 8.150 nan 0.000 0.504 79 P HA 0.286 nan 4.420 nan 0.000 0.274 79 P C 0.491 177.782 177.300 -0.015 0.000 1.231 79 P CA 0.205 63.297 63.100 -0.013 0.000 0.790 79 P CB 0.617 32.315 31.700 -0.003 0.000 0.951 80 G N 1.896 110.687 108.800 -0.015 0.000 2.516 80 G HA2 0.052 4.009 3.960 -0.004 0.000 0.276 80 G HA3 0.052 4.009 3.960 -0.004 0.000 0.276 80 G C 1.149 176.042 174.900 -0.011 0.000 1.390 80 G CA -0.395 44.696 45.100 -0.014 0.000 1.050 80 G HN 0.590 nan 8.290 nan 0.000 0.519 81 R N -0.566 119.928 120.500 -0.010 0.000 2.115 81 R HA 0.012 4.349 4.340 -0.004 0.000 0.230 81 R C 1.768 178.064 176.300 -0.008 0.000 1.111 81 R CA 0.797 56.891 56.100 -0.009 0.000 0.976 81 R CB -0.516 29.780 30.300 -0.008 0.000 0.870 81 R HN 0.417 nan 8.270 nan 0.000 0.445 82 R N 0.490 120.985 120.500 -0.008 0.000 2.235 82 R HA 0.039 4.376 4.340 -0.004 0.000 0.213 82 R C 0.901 177.196 176.300 -0.008 0.000 1.059 82 R CA 0.897 56.992 56.100 -0.007 0.000 0.997 82 R CB -0.572 29.724 30.300 -0.007 0.000 0.884 82 R HN 0.608 nan 8.270 nan 0.000 0.462 83 G N 2.089 110.884 108.800 -0.008 0.000 2.225 83 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.264 83 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.264 83 G C -0.541 174.355 174.900 -0.006 0.000 1.060 83 G CA 0.149 45.245 45.100 -0.007 0.000 0.833 83 G HN 0.411 nan 8.290 nan 0.000 0.498 84 E N -0.621 119.576 120.200 -0.006 0.000 2.187 84 E HA 0.595 4.943 4.350 -0.004 0.000 0.268 84 E C 0.384 176.983 176.600 -0.001 0.000 0.896 84 E CA -0.746 55.653 56.400 -0.002 0.000 0.766 84 E CB 2.712 32.411 29.700 -0.002 0.000 1.142 84 E HN 0.694 nan 8.360 nan 0.000 0.408 85 V N -0.173 119.746 119.914 0.009 0.000 3.096 85 V HA 0.367 4.484 4.120 -0.004 0.000 0.319 85 V C 0.358 176.474 176.094 0.036 0.000 1.103 85 V CA -0.679 61.630 62.300 0.016 0.000 1.016 85 V CB 2.045 33.888 31.823 0.035 0.000 1.090 85 V HN 0.580 nan 8.190 nan 0.000 0.449 86 Q N 0.409 120.241 119.800 0.054 0.000 1.900 86 Q HA 0.269 4.607 4.340 -0.004 0.000 0.322 86 Q C -0.186 175.902 176.000 0.147 0.000 0.959 86 Q CA 0.651 56.508 55.803 0.092 0.000 0.866 86 Q CB -0.141 28.660 28.738 0.104 0.000 1.196 86 Q HN 0.917 nan 8.270 nan 0.000 0.458 87 D N 0.671 121.225 120.400 0.257 0.000 2.304 87 D HA 0.337 4.975 4.640 -0.004 0.000 0.247 87 D C -0.382 176.142 176.300 0.374 0.000 1.089 87 D CA -0.002 54.196 54.000 0.330 0.000 0.910 87 D CB 1.006 42.108 40.800 0.503 0.000 1.199 87 D HN 0.072 nan 8.370 nan 0.000 0.426 88 L N 1.722 123.093 121.223 0.248 0.000 2.354 88 L HA 0.415 4.752 4.340 -0.004 0.000 0.269 88 L C -1.372 175.591 176.870 0.155 0.000 1.005 88 L CA -0.896 54.117 54.840 0.289 0.000 0.819 88 L CB 1.409 43.597 42.059 0.214 0.000 1.311 88 L HN 0.353 nan 8.230 nan 0.000 0.423 89 Y N 3.249 123.708 120.300 0.264 0.000 2.331 89 Y HA 0.335 4.883 4.550 -0.004 0.000 0.334 89 Y C -0.274 175.661 175.900 0.059 0.000 0.960 89 Y CA -0.593 57.602 58.100 0.160 0.000 1.130 89 Y CB 2.012 40.510 38.460 0.062 0.000 1.164 89 Y HN 0.321 nan 8.280 nan 0.000 0.458 90 L N 5.417 126.685 121.223 0.075 0.000 2.278 90 L HA 0.584 4.921 4.340 -0.004 0.000 0.287 90 L C -1.068 175.769 176.870 -0.055 0.000 1.072 90 L CA -0.323 54.430 54.840 -0.144 0.000 0.819 90 L CB 0.349 42.194 42.059 -0.357 0.000 1.176 90 L HN 0.397 nan 8.230 nan 0.000 0.435 91 V N 5.294 125.160 119.914 -0.080 0.000 2.357 91 V HA 0.698 4.815 4.120 -0.004 0.000 0.284 91 V C 0.655 176.658 176.094 -0.151 0.000 1.018 91 V CA -0.399 61.854 62.300 -0.079 0.000 0.841 91 V CB 1.073 32.853 31.823 -0.072 0.000 0.991 91 V HN 0.890 nan 8.190 nan 0.000 0.437 92 G N 3.667 112.369 108.800 -0.162 0.000 2.371 92 G HA2 0.614 4.572 3.960 -0.004 0.000 0.326 92 G HA3 0.614 4.572 3.960 -0.004 0.000 0.326 92 G C -0.130 174.568 174.900 -0.337 0.000 1.127 92 G CA -0.730 44.237 45.100 -0.222 0.000 0.885 92 G HN 0.654 nan 8.290 nan 0.000 0.477 93 R N 1.548 121.777 120.500 -0.451 0.000 3.026 93 R HA 0.349 4.687 4.340 -0.004 0.000 0.317 93 R C 0.949 176.974 176.300 -0.458 0.000 1.278 93 R CA 0.111 55.726 56.100 -0.809 0.000 1.407 93 R CB 0.936 30.478 30.300 -1.264 0.000 1.368 93 R HN 1.018 nan 8.270 nan 0.000 0.612 94 G N 0.969 109.488 108.800 -0.468 0.000 2.136 94 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.242 94 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.242 94 G C -0.187 174.410 174.900 -0.505 0.000 0.989 94 G CA 0.074 44.905 45.100 -0.448 0.000 0.682 94 G HN 0.487 nan 8.290 nan 0.000 0.522 95 D N 1.025 121.217 120.400 -0.346 0.000 2.363 95 D HA 0.294 4.932 4.640 -0.004 0.000 0.263 95 D C -0.352 175.761 176.300 -0.311 0.000 1.258 95 D CA -1.356 52.463 54.000 -0.303 0.000 0.907 95 D CB 1.136 41.888 40.800 -0.081 0.000 1.107 95 D HN 0.246 nan 8.370 nan 0.000 0.495 96 P HA 0.038 nan 4.420 nan 0.000 0.255 96 P C 0.281 177.415 177.300 -0.276 0.000 1.248 96 P CA 0.348 63.236 63.100 -0.353 0.000 0.807 96 P CB 0.137 31.452 31.700 -0.643 0.000 1.150 97 T N -3.782 110.587 114.554 -0.309 0.000 3.393 97 T HA 0.199 4.547 4.350 -0.004 0.000 0.298 97 T C 0.134 174.690 174.700 -0.240 0.000 1.004 97 T CA -0.459 61.335 62.100 -0.510 0.000 0.956 97 T CB -0.378 67.860 68.868 -1.050 0.000 1.182 97 T HN -0.072 nan 8.240 nan 0.000 0.497 98 L N 3.926 125.110 121.223 -0.065 0.000 2.315 98 L HA 0.513 4.851 4.340 -0.004 0.000 0.283 98 L C 0.396 177.285 176.870 0.032 0.000 1.089 98 L CA 0.080 54.910 54.840 -0.017 0.000 0.833 98 L CB 0.752 42.794 42.059 -0.029 0.000 1.170 98 L HN 0.606 nan 8.230 nan 0.000 0.442 99 S N 3.832 119.547 115.700 0.025 0.000 2.713 99 S HA 0.486 4.954 4.470 -0.004 0.000 0.283 99 S C 1.155 175.767 174.600 0.020 0.000 1.161 99 S CA -0.121 58.121 58.200 0.070 0.000 0.999 99 S CB 1.695 64.958 63.200 0.104 0.000 1.039 99 S HN 0.722 nan 8.310 nan 0.000 0.548 100 A N 0.277 123.123 122.820 0.044 0.000 1.972 100 A HA -0.084 4.234 4.320 -0.004 0.000 0.219 100 A C 2.090 179.683 177.584 0.015 0.000 1.169 100 A CA 1.685 53.743 52.037 0.036 0.000 0.635 100 A CB -1.075 17.955 19.000 0.051 0.000 0.810 100 A HN 0.978 nan 8.150 nan 0.000 0.446 101 E N -0.287 119.916 120.200 0.005 0.000 2.107 101 E HA -0.197 4.151 4.350 -0.004 0.000 0.191 101 E C 1.111 177.683 176.600 -0.046 0.000 0.982 101 E CA 1.063 57.458 56.400 -0.008 0.000 0.809 101 E CB -0.105 29.595 29.700 0.001 0.000 0.756 101 E HN 0.523 nan 8.360 nan 0.000 0.459 102 D N 0.689 121.023 120.400 -0.111 0.000 2.149 102 D HA -0.176 4.462 4.640 -0.004 0.000 0.198 102 D C 2.081 178.283 176.300 -0.164 0.000 0.990 102 D CA 0.845 54.677 54.000 -0.280 0.000 0.839 102 D CB -0.176 40.311 40.800 -0.521 0.000 0.948 102 D HN 0.273 nan 8.370 nan 0.000 0.460 103 L N 0.290 121.481 121.223 -0.054 0.000 2.093 103 L HA -0.151 4.186 4.340 -0.004 0.000 0.208 103 L C 2.150 179.115 176.870 0.158 0.000 1.085 103 L CA 1.014 55.907 54.840 0.088 0.000 0.755 103 L CB -0.309 41.834 42.059 0.141 0.000 0.904 103 L HN -0.051 nan 8.230 nan 0.000 0.435 104 D N 0.179 120.616 120.400 0.061 0.000 2.117 104 D HA -0.183 4.455 4.640 -0.004 0.000 0.197 104 D C 2.181 178.504 176.300 0.037 0.000 0.987 104 D CA 1.321 55.342 54.000 0.035 0.000 0.829 104 D CB 0.157 40.961 40.800 0.006 0.000 0.961 104 D HN 0.243 nan 8.370 nan 0.000 0.460 105 A N -0.172 122.661 122.820 0.022 0.000 1.969 105 A HA -0.110 4.208 4.320 -0.004 0.000 0.218 105 A C 2.259 179.877 177.584 0.058 0.000 1.169 105 A CA 1.175 53.227 52.037 0.024 0.000 0.635 105 A CB -0.538 18.465 19.000 0.005 0.000 0.810 105 A HN 0.311 nan 8.150 nan 0.000 0.445 106 M N -0.819 118.837 119.600 0.093 0.000 2.200 106 M HA -0.067 4.411 4.480 -0.004 0.000 0.265 106 M C 2.508 178.951 176.300 0.238 0.000 1.066 106 M CA 1.132 56.525 55.300 0.155 0.000 1.127 106 M CB -0.342 32.338 32.600 0.133 0.000 1.379 106 M HN 0.477 nan 8.290 nan 0.000 0.420 107 A N 0.550 123.517 122.820 0.245 0.000 1.933 107 A HA -0.064 4.254 4.320 -0.004 0.000 0.218 107 A C 2.333 179.924 177.584 0.012 0.000 1.175 107 A CA 1.893 53.957 52.037 0.045 0.000 0.628 107 A CB -0.785 18.148 19.000 -0.112 0.000 0.814 107 A HN 0.494 nan 8.150 nan 0.000 0.444 108 A N -0.404 122.432 122.820 0.027 0.000 1.969 108 A HA -0.111 4.206 4.320 -0.004 0.000 0.218 108 A C 1.909 179.508 177.584 0.025 0.000 1.169 108 A CA 1.477 53.522 52.037 0.013 0.000 0.635 108 A CB -0.382 18.626 19.000 0.013 0.000 0.810 108 A HN 0.637 nan 8.150 nan 0.000 0.445 109 E N -0.381 119.848 120.200 0.048 0.000 2.107 109 E HA -0.075 4.272 4.350 -0.004 0.000 0.191 109 E C 1.955 178.586 176.600 0.052 0.000 0.982 109 E CA 0.987 57.417 56.400 0.049 0.000 0.809 109 E CB -0.173 29.563 29.700 0.060 0.000 0.756 109 E HN 0.390 nan 8.360 nan 0.000 0.459 110 V N 1.617 121.575 119.914 0.073 0.000 2.287 110 V HA -0.302 3.816 4.120 -0.004 0.000 0.248 110 V C 2.371 178.481 176.094 0.027 0.000 1.053 110 V CA 1.990 64.331 62.300 0.067 0.000 1.027 110 V CB -0.723 31.158 31.823 0.097 0.000 0.646 110 V HN 0.310 nan 8.190 nan 0.000 0.447 111 A N -0.027 122.797 122.820 0.007 0.000 1.902 111 A HA -0.093 4.225 4.320 -0.004 0.000 0.217 111 A C 2.344 179.928 177.584 0.001 0.000 1.181 111 A CA 1.989 54.022 52.037 -0.006 0.000 0.623 111 A CB -0.775 18.214 19.000 -0.018 0.000 0.818 111 A HN 0.600 nan 8.150 nan 0.000 0.443 112 A N -0.003 122.821 122.820 0.007 0.000 2.168 112 A HA 0.053 4.371 4.320 -0.004 0.000 0.215 112 A C 2.207 179.796 177.584 0.009 0.000 1.152 112 A CA 1.777 53.818 52.037 0.007 0.000 0.716 112 A CB -0.640 18.366 19.000 0.010 0.000 0.794 112 A HN 0.983 nan 8.150 nan 0.000 0.465 113 S N -2.336 113.372 115.700 0.013 0.000 2.575 113 S HA 0.406 4.874 4.470 -0.004 0.000 0.215 113 S C 1.251 175.855 174.600 0.008 0.000 0.966 113 S CA 0.996 59.203 58.200 0.013 0.000 0.911 113 S CB -0.039 63.174 63.200 0.021 0.000 0.780 113 S HN 1.780 nan 8.310 nan 0.000 0.514 114 G N 0.237 109.040 108.800 0.005 0.000 2.163 114 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.213 114 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.213 114 G C -0.083 174.817 174.900 -0.001 0.000 0.991 114 G CA -0.189 44.911 45.100 -0.000 0.000 0.653 114 G HN 0.630 nan 8.290 nan 0.000 0.518 115 V N 0.884 120.799 119.914 0.002 0.000 2.614 115 V HA 0.502 4.620 4.120 -0.004 0.000 0.291 115 V C 1.410 177.497 176.094 -0.011 0.000 1.049 115 V CA 0.338 62.638 62.300 -0.000 0.000 1.038 115 V CB 1.376 33.205 31.823 0.009 0.000 0.980 115 V HN 0.415 nan 8.190 nan 0.000 0.481 116 R N 1.489 121.981 120.500 -0.013 0.000 2.507 116 R HA 0.224 4.561 4.340 -0.004 0.000 0.230 116 R C -0.286 176.000 176.300 -0.024 0.000 0.897 116 R CA 0.090 56.178 56.100 -0.020 0.000 1.006 116 R CB 0.959 31.249 30.300 -0.017 0.000 1.341 116 R HN 0.686 nan 8.270 nan 0.000 0.604 117 T N 1.225 115.769 114.554 -0.017 0.000 2.991 117 T HA 0.292 4.640 4.350 -0.004 0.000 0.303 117 T C -0.669 174.027 174.700 -0.007 0.000 1.015 117 T CA -0.461 61.629 62.100 -0.016 0.000 1.007 117 T CB 2.991 71.852 68.868 -0.011 0.000 1.034 117 T HN -0.238 nan 8.240 nan 0.000 0.446 118 V N 4.897 124.804 119.914 -0.011 0.000 2.353 118 V HA 0.228 4.346 4.120 -0.004 0.000 0.264 118 V C 1.486 177.583 176.094 0.005 0.000 1.049 118 V CA -0.366 61.938 62.300 0.006 0.000 0.896 118 V CB 0.529 32.353 31.823 0.001 0.000 1.025 118 V HN 0.785 nan 8.190 nan 0.000 0.475 119 R N 3.066 123.576 120.500 0.018 0.000 2.153 119 R HA 0.078 4.416 4.340 -0.004 0.000 0.218 119 R C 1.417 177.732 176.300 0.025 0.000 1.072 119 R CA 0.922 57.032 56.100 0.017 0.000 0.990 119 R CB 0.229 30.541 30.300 0.020 0.000 0.889 119 R HN 0.754 nan 8.270 nan 0.000 0.452 120 G N 0.597 109.424 108.800 0.044 0.000 2.882 120 G HA2 0.103 4.061 3.960 -0.004 0.000 0.164 120 G HA3 0.103 4.061 3.960 -0.004 0.000 0.164 120 G C -0.545 174.364 174.900 0.015 0.000 1.429 120 G CA -0.434 44.701 45.100 0.058 0.000 1.059 120 G HN -0.026 nan 8.290 nan 0.000 0.581 121 D N -0.416 119.988 120.400 0.006 0.000 2.268 121 D HA 0.401 5.039 4.640 -0.004 0.000 0.249 121 D C -0.755 175.409 176.300 -0.226 0.000 1.008 121 D CA -0.302 53.594 54.000 -0.172 0.000 0.939 121 D CB 2.548 43.135 40.800 -0.356 0.000 1.170 121 D HN 0.112 nan 8.370 nan 0.000 0.468 122 L N 2.136 123.174 121.223 -0.308 0.000 2.264 122 L HA 0.302 4.639 4.340 -0.004 0.000 0.289 122 L C -1.517 175.094 176.870 -0.431 0.000 1.044 122 L CA -0.284 54.417 54.840 -0.231 0.000 0.807 122 L CB 0.244 42.257 42.059 -0.076 0.000 1.192 122 L HN 0.210 nan 8.230 nan 0.000 0.425 123 Y N 3.594 123.702 120.300 -0.319 0.000 2.409 123 Y HA 0.719 5.267 4.550 -0.004 0.000 0.339 123 Y C 0.314 176.131 175.900 -0.139 0.000 1.033 123 Y CA -0.752 57.165 58.100 -0.305 0.000 1.094 123 Y CB 1.910 40.000 38.460 -0.617 0.000 1.210 123 Y HN 0.700 nan 8.280 nan 0.000 0.456 124 A N 2.403 125.286 122.820 0.105 0.000 2.249 124 A HA 0.347 4.665 4.320 -0.004 0.000 0.314 124 A C -0.978 176.674 177.584 0.115 0.000 1.290 124 A CA -0.543 51.538 52.037 0.074 0.000 0.893 124 A CB 0.124 19.142 19.000 0.031 0.000 1.165 124 A HN 0.656 nan 8.150 nan 0.000 0.530 125 D N 2.737 123.202 120.400 0.108 0.000 2.373 125 D HA 0.256 4.894 4.640 -0.004 0.000 0.227 125 D C -0.579 175.733 176.300 0.021 0.000 1.091 125 D CA -0.203 53.853 54.000 0.093 0.000 0.840 125 D CB 1.181 42.048 40.800 0.111 0.000 1.060 125 D HN 0.546 nan 8.370 nan 0.000 0.502 126 D N 1.409 121.823 120.400 0.024 0.000 2.623 126 D HA -0.055 4.582 4.640 -0.004 0.000 0.252 126 D C 1.145 177.465 176.300 0.034 0.000 1.294 126 D CA -0.181 53.817 54.000 -0.004 0.000 0.824 126 D CB -0.225 40.572 40.800 -0.007 0.000 1.070 126 D HN 0.291 nan 8.370 nan 0.000 0.487 127 T N -4.085 110.503 114.554 0.057 0.000 3.113 127 T HA -0.125 4.223 4.350 -0.004 0.000 0.263 127 T C 1.420 176.196 174.700 0.126 0.000 1.143 127 T CA -0.073 62.069 62.100 0.069 0.000 1.090 127 T CB -0.857 68.030 68.868 0.032 0.000 0.922 127 T HN 0.394 nan 8.240 nan 0.000 0.521 128 W N 1.045 122.298 121.300 -0.078 0.000 2.350 128 W HA 0.072 4.730 4.660 -0.003 0.000 0.289 128 W C -0.727 175.874 176.519 0.136 0.000 1.215 128 W CA 0.274 57.585 57.345 -0.056 0.000 1.236 128 W CB 0.041 29.384 29.460 -0.194 0.000 1.130 128 W HN 0.140 nan 8.180 nan 0.000 0.541 129 F N 1.413 121.354 119.950 -0.015 0.000 2.541 129 F HA 0.190 4.715 4.527 -0.003 0.000 0.331 129 F C 0.665 176.392 175.800 -0.122 0.000 1.057 129 F CA -2.249 55.658 58.000 -0.155 0.000 0.975 129 F CB -0.213 38.701 39.000 -0.142 0.000 1.246 129 F HN -0.234 nan 8.300 nan 0.000 0.484 130 D N -0.928 119.492 120.400 0.033 0.000 2.352 130 D HA 0.055 4.693 4.640 -0.004 0.000 0.238 130 D C 0.493 176.800 176.300 0.012 0.000 1.286 130 D CA -0.146 53.848 54.000 -0.010 0.000 0.923 130 D CB 0.246 41.008 40.800 -0.062 0.000 1.146 130 D HN 0.349 nan 8.370 nan 0.000 0.471 131 S N -2.104 113.606 115.700 0.016 0.000 2.573 131 S HA 0.057 4.525 4.470 -0.004 0.000 0.244 131 S C 0.370 174.995 174.600 0.042 0.000 0.984 131 S CA -0.709 57.512 58.200 0.035 0.000 1.001 131 S CB -0.581 62.644 63.200 0.042 0.000 0.788 131 S HN 0.569 nan 8.310 nan 0.000 0.456 132 E N 1.816 122.035 120.200 0.030 0.000 2.003 132 E HA 0.161 4.509 4.350 -0.004 0.000 0.279 132 E C 0.654 177.348 176.600 0.157 0.000 1.132 132 E CA -0.508 55.956 56.400 0.107 0.000 0.888 132 E CB 0.299 30.101 29.700 0.171 0.000 1.056 132 E HN 0.185 nan 8.360 nan 0.000 0.399 133 R N 2.673 123.268 120.500 0.159 0.000 2.090 133 R HA 0.104 4.442 4.340 -0.004 0.000 0.228 133 R C 0.471 176.948 176.300 0.295 0.000 1.110 133 R CA 0.845 57.055 56.100 0.185 0.000 0.973 133 R CB -0.354 30.035 30.300 0.147 0.000 0.869 133 R HN 0.432 nan 8.270 nan 0.000 0.440 134 L N -0.652 120.689 121.223 0.197 0.000 2.371 134 L HA 0.429 4.766 4.340 -0.004 0.000 0.262 134 L C -0.201 176.328 176.870 -0.569 0.000 1.006 134 L CA -1.130 53.647 54.840 -0.105 0.000 0.818 134 L CB 2.252 44.362 42.059 0.085 0.000 1.354 134 L HN -0.367 nan 8.230 nan 0.000 0.415 135 V N 1.044 120.001 119.914 -1.594 0.000 2.924 135 V HA -0.045 4.072 4.120 -0.004 0.000 0.305 135 V C 0.643 176.285 176.094 -0.754 0.000 1.073 135 V CA 0.218 61.579 62.300 -1.565 0.000 1.098 135 V CB 1.102 31.634 31.823 -2.151 0.000 1.000 135 V HN 1.021 nan 8.190 nan 0.000 0.484 136 D N 3.105 123.222 120.400 -0.473 0.000 2.160 136 D HA -0.275 4.363 4.640 -0.004 0.000 0.189 136 D C 1.089 177.338 176.300 -0.086 0.000 1.003 136 D CA 1.945 55.821 54.000 -0.207 0.000 0.846 136 D CB -0.364 40.348 40.800 -0.148 0.000 0.949 136 D HN 0.802 nan 8.370 nan 0.000 0.446 137 D N -1.899 118.475 120.400 -0.042 0.000 2.342 137 D HA -0.016 4.622 4.640 -0.004 0.000 0.221 137 D C -0.305 176.248 176.300 0.423 0.000 1.101 137 D CA -0.692 53.403 54.000 0.158 0.000 0.837 137 D CB -0.630 40.255 40.800 0.141 0.000 0.938 137 D HN 0.222 nan 8.370 nan 0.000 0.508 138 W N 0.858 122.235 121.300 0.128 0.000 2.158 138 W HA 0.254 4.912 4.660 -0.005 0.000 0.339 138 W C 0.217 176.965 176.519 0.382 0.000 1.294 138 W CA -1.146 56.315 57.345 0.193 0.000 1.231 138 W CB 0.030 29.538 29.460 0.079 0.000 1.143 138 W HN -0.047 nan 8.180 nan 0.000 0.571 139 W N 4.387 125.825 121.300 0.230 0.000 2.358 139 W HA 0.229 4.887 4.660 -0.003 0.000 0.307 139 W C -1.143 175.453 176.519 0.127 0.000 1.203 139 W CA -2.577 54.853 57.345 0.141 0.000 1.279 139 W CB -0.277 29.247 29.460 0.107 0.000 1.264 139 W HN 0.212 nan 8.180 nan 0.000 0.474 140 P HA -0.282 nan 4.420 nan 0.000 0.217 140 P C 1.505 178.893 177.300 0.145 0.000 1.151 140 P CA 2.235 65.429 63.100 0.157 0.000 0.849 140 P CB 0.255 32.002 31.700 0.080 0.000 0.787 141 E N -0.527 119.784 120.200 0.186 0.000 2.268 141 E HA -0.181 4.167 4.350 -0.004 0.000 0.195 141 E C 0.965 177.710 176.600 0.242 0.000 0.995 141 E CA 1.147 57.660 56.400 0.188 0.000 0.836 141 E CB -1.118 28.700 29.700 0.197 0.000 0.763 141 E HN 0.285 nan 8.360 nan 0.000 0.491 142 D N 1.447 122.012 120.400 0.276 0.000 2.347 142 D HA -0.044 4.593 4.640 -0.004 0.000 0.215 142 D C 1.509 177.815 176.300 0.009 0.000 0.976 142 D CA 0.373 54.529 54.000 0.260 0.000 0.884 142 D CB -0.041 40.896 40.800 0.228 0.000 0.915 142 D HN 0.406 nan 8.370 nan 0.000 0.526 143 E N 0.327 120.517 120.200 -0.016 0.000 2.160 143 E HA -0.145 4.202 4.350 -0.004 0.000 0.195 143 E C -0.828 175.626 176.600 -0.243 0.000 0.991 143 E CA 0.766 57.116 56.400 -0.083 0.000 0.810 143 E CB -0.582 29.123 29.700 0.009 0.000 0.742 143 E HN 0.331 nan 8.360 nan 0.000 0.466 144 P HA -0.095 nan 4.420 nan 0.000 0.233 144 P C -0.551 176.311 177.300 -0.729 0.000 1.167 144 P CA 0.925 63.644 63.100 -0.634 0.000 0.770 144 P CB -0.022 31.197 31.700 -0.802 0.000 0.837 145 Y N -1.227 118.942 120.300 -0.218 0.000 2.310 145 Y HA 0.446 4.993 4.550 -0.004 0.000 0.326 145 Y C 1.935 177.620 175.900 -0.358 0.000 1.151 145 Y CA -1.028 56.897 58.100 -0.292 0.000 1.195 145 Y CB 0.635 38.889 38.460 -0.344 0.000 1.210 145 Y HN -0.197 nan 8.280 nan 0.000 0.483 146 A N 2.775 125.586 122.820 -0.014 0.000 1.958 146 A HA -0.296 4.022 4.320 -0.004 0.000 0.221 146 A C 1.769 179.345 177.584 -0.013 0.000 1.178 146 A CA 2.279 54.316 52.037 0.001 0.000 0.642 146 A CB -1.320 17.719 19.000 0.066 0.000 0.816 146 A HN 0.978 nan 8.150 nan 0.000 0.453 147 Y N -1.847 118.474 120.300 0.036 0.000 2.497 147 Y HA 0.178 4.726 4.550 -0.005 0.000 0.292 147 Y C 1.848 177.686 175.900 -0.103 0.000 1.137 147 Y CA 0.985 59.067 58.100 -0.031 0.000 1.285 147 Y CB -0.590 37.829 38.460 -0.068 0.000 0.991 147 Y HN 0.181 nan 8.280 nan 0.000 0.556 148 S N 0.551 115.933 115.700 -0.531 0.000 2.574 148 S HA 0.584 5.051 4.470 -0.004 0.000 0.242 148 S C 0.662 175.235 174.600 -0.044 0.000 0.982 148 S CA -0.241 57.742 58.200 -0.361 0.000 0.977 148 S CB -1.113 61.816 63.200 -0.451 0.000 0.814 148 S HN 0.613 nan 8.310 nan 0.000 0.464 149 A N 1.480 124.310 122.820 0.015 0.000 2.531 149 A HA 0.232 4.550 4.320 -0.004 0.000 0.236 149 A C 0.443 178.172 177.584 0.241 0.000 1.062 149 A CA 0.151 52.253 52.037 0.108 0.000 0.760 149 A CB 0.036 19.102 19.000 0.110 0.000 0.995 149 A HN 0.707 nan 8.150 nan 0.000 0.501 150 Q N 0.331 120.258 119.800 0.212 0.000 2.386 150 Q HA 0.131 4.469 4.340 -0.004 0.000 0.282 150 Q C -0.331 175.809 176.000 0.232 0.000 1.050 150 Q CA 0.288 56.235 55.803 0.240 0.000 0.918 150 Q CB 0.420 29.259 28.738 0.169 0.000 1.266 150 Q HN 0.556 nan 8.270 nan 0.000 0.423 151 I N 1.502 122.217 120.570 0.241 0.000 2.336 151 I HA 0.297 4.465 4.170 -0.004 0.000 0.292 151 I C 0.104 176.298 176.117 0.127 0.000 0.991 151 I CA 0.139 61.548 61.300 0.182 0.000 1.227 151 I CB 1.068 39.140 38.000 0.120 0.000 1.366 151 I HN 0.478 nan 8.210 nan 0.000 0.466 152 S N 3.469 119.262 115.700 0.156 0.000 2.579 152 S HA 0.697 5.164 4.470 -0.004 0.000 0.272 152 S C 0.630 175.276 174.600 0.077 0.000 1.141 152 S CA 0.063 58.340 58.200 0.129 0.000 0.843 152 S CB 1.917 65.157 63.200 0.067 0.000 1.122 152 S HN 0.675 nan 8.310 nan 0.000 0.468 153 A N 2.096 124.834 122.820 -0.138 0.000 2.014 153 A HA 0.307 4.624 4.320 -0.004 0.000 0.218 153 A C 0.719 178.123 177.584 -0.299 0.000 1.163 153 A CA 0.696 52.386 52.037 -0.578 0.000 0.652 153 A CB -0.279 18.387 19.000 -0.556 0.000 0.808 153 A HN 0.680 nan 8.150 nan 0.000 0.449 154 L N 0.673 121.809 121.223 -0.144 0.000 2.324 154 L HA 0.441 4.778 4.340 -0.004 0.000 0.274 154 L C -0.894 175.943 176.870 -0.055 0.000 1.012 154 L CA -0.083 54.692 54.840 -0.108 0.000 0.859 154 L CB 1.461 43.468 42.059 -0.087 0.000 1.224 154 L HN 0.171 nan 8.230 nan 0.000 0.429 155 T N 2.842 117.368 114.554 -0.047 0.000 2.912 155 T HA 0.481 4.829 4.350 -0.004 0.000 0.299 155 T C -0.928 173.779 174.700 0.011 0.000 1.052 155 T CA -0.294 61.806 62.100 0.001 0.000 0.996 155 T CB 1.854 70.746 68.868 0.041 0.000 1.070 155 T HN 0.126 nan 8.240 nan 0.000 0.465 156 V N 4.059 123.993 119.914 0.034 0.000 2.406 156 V HA 0.642 4.760 4.120 -0.004 0.000 0.272 156 V C 0.758 176.925 176.094 0.122 0.000 1.043 156 V CA -0.766 61.570 62.300 0.060 0.000 0.915 156 V CB 0.794 32.650 31.823 0.054 0.000 0.988 156 V HN 1.067 nan 8.190 nan 0.000 0.466 157 A N 3.944 126.861 122.820 0.161 0.000 2.354 157 A HA 0.462 4.779 4.320 -0.004 0.000 0.281 157 A C -0.195 177.556 177.584 0.279 0.000 1.174 157 A CA -0.228 51.971 52.037 0.270 0.000 0.828 157 A CB -0.255 18.971 19.000 0.377 0.000 1.099 157 A HN 1.011 nan 8.150 nan 0.000 0.516 158 H N 2.177 121.344 119.070 0.161 0.000 2.548 158 H HA 0.506 5.060 4.556 -0.004 0.000 0.331 158 H C 0.916 176.270 175.328 0.043 0.000 1.093 158 H CA 1.169 57.274 56.048 0.095 0.000 1.367 158 H CB 0.744 30.543 29.762 0.060 0.000 1.455 158 H HN 1.490 nan 8.280 nan 0.000 0.519 159 G N 3.743 112.108 108.800 -0.724 0.000 2.804 159 G HA2 -0.311 3.647 3.960 -0.004 0.000 0.230 159 G HA3 -0.311 3.647 3.960 -0.004 0.000 0.230 159 G C 0.698 175.300 174.900 -0.498 0.000 1.386 159 G CA 0.292 45.046 45.100 -0.577 0.000 0.875 159 G HN 0.869 nan 8.290 nan 0.000 0.557 160 E N -0.446 119.482 120.200 -0.454 0.000 2.427 160 E HA 0.091 4.438 4.350 -0.004 0.000 0.196 160 E C 2.170 178.445 176.600 -0.541 0.000 1.028 160 E CA 0.775 56.827 56.400 -0.581 0.000 0.864 160 E CB 0.064 29.624 29.700 -0.232 0.000 0.813 160 E HN 0.538 nan 8.360 nan 0.000 0.514 161 R N 0.016 120.295 120.500 -0.368 0.000 2.246 161 R HA 0.116 4.454 4.340 -0.004 0.000 0.199 161 R C -0.187 176.116 176.300 0.004 0.000 0.984 161 R CA 0.337 56.304 56.100 -0.222 0.000 1.015 161 R CB -0.234 29.826 30.300 -0.399 0.000 0.930 161 R HN 0.148 nan 8.270 nan 0.000 0.475 162 F N 1.419 121.466 119.950 0.162 0.000 2.975 162 F HA -0.188 4.336 4.527 -0.004 0.000 0.319 162 F C -0.795 175.139 175.800 0.222 0.000 0.976 162 F CA -0.077 58.065 58.000 0.235 0.000 1.072 162 F CB -1.482 37.746 39.000 0.381 0.000 1.165 162 F HN 0.040 nan 8.300 nan 0.000 0.758 163 D N 1.805 122.356 120.400 0.251 0.000 2.338 163 D HA 0.163 4.801 4.640 -0.004 0.000 0.255 163 D C 0.845 177.279 176.300 0.223 0.000 1.237 163 D CA 0.466 54.578 54.000 0.187 0.000 0.883 163 D CB 1.057 41.942 40.800 0.142 0.000 1.087 163 D HN 0.322 nan 8.370 nan 0.000 0.485 164 T N -1.552 113.130 114.554 0.213 0.000 2.904 164 T HA 0.457 4.805 4.350 -0.004 0.000 0.290 164 T C 1.241 176.027 174.700 0.144 0.000 1.018 164 T CA -0.180 62.037 62.100 0.195 0.000 1.075 164 T CB 1.619 70.611 68.868 0.207 0.000 0.986 164 T HN 0.524 nan 8.240 nan 0.000 0.523 165 G N 0.432 109.305 108.800 0.122 0.000 2.198 165 G HA2 -0.094 3.864 3.960 -0.004 0.000 0.260 165 G HA3 -0.094 3.864 3.960 -0.004 0.000 0.260 165 G C 0.089 175.038 174.900 0.081 0.000 1.025 165 G CA 0.371 45.530 45.100 0.099 0.000 0.769 165 G HN 1.878 nan 8.290 nan 0.000 0.507 166 V N -4.352 115.607 119.914 0.075 0.000 3.158 166 V HA 0.996 5.114 4.120 -0.004 0.000 0.311 166 V C -0.060 176.042 176.094 0.014 0.000 1.181 166 V CA -0.149 62.172 62.300 0.034 0.000 1.054 166 V CB 2.013 33.842 31.823 0.010 0.000 1.085 166 V HN 0.806 nan 8.190 nan 0.000 0.446 167 T N 0.278 114.815 114.554 -0.029 0.000 2.906 167 T HA 0.445 4.793 4.350 -0.004 0.000 0.295 167 T C -1.041 173.575 174.700 -0.141 0.000 1.061 167 T CA -0.365 61.703 62.100 -0.053 0.000 1.000 167 T CB 1.735 70.611 68.868 0.013 0.000 1.103 167 T HN 1.086 nan 8.240 nan 0.000 0.486 168 E N 3.001 123.080 120.200 -0.201 0.000 2.089 168 E HA 0.475 4.823 4.350 -0.004 0.000 0.284 168 E C -0.900 175.656 176.600 -0.072 0.000 1.023 168 E CA -0.584 55.698 56.400 -0.196 0.000 0.819 168 E CB 0.701 30.239 29.700 -0.269 0.000 1.076 168 E HN 0.378 nan 8.360 nan 0.000 0.396 169 V N 4.074 123.959 119.914 -0.048 0.000 2.406 169 V HA 0.199 4.317 4.120 -0.004 0.000 0.272 169 V C -0.171 175.918 176.094 -0.008 0.000 1.043 169 V CA -0.400 61.889 62.300 -0.019 0.000 0.915 169 V CB 1.415 33.230 31.823 -0.013 0.000 0.988 169 V HN 0.611 nan 8.190 nan 0.000 0.466 170 S N 4.076 119.776 115.700 0.000 0.000 2.498 170 S HA 0.625 5.093 4.470 -0.004 0.000 0.317 170 S C -0.404 174.200 174.600 0.007 0.000 1.090 170 S CA -0.581 57.623 58.200 0.006 0.000 1.089 170 S CB 1.692 64.898 63.200 0.010 0.000 0.997 170 S HN 0.455 nan 8.310 nan 0.000 0.470 171 V N 3.413 123.332 119.914 0.008 0.000 2.384 171 V HA 0.538 4.656 4.120 -0.004 0.000 0.287 171 V C 0.005 176.104 176.094 0.008 0.000 1.020 171 V CA -0.576 61.729 62.300 0.008 0.000 0.850 171 V CB 1.468 33.297 31.823 0.009 0.000 0.987 171 V HN 0.877 nan 8.190 nan 0.000 0.436 172 T N 7.236 121.794 114.554 0.008 0.000 2.829 172 T HA 0.523 4.871 4.350 -0.004 0.000 0.280 172 T C -2.686 172.018 174.700 0.007 0.000 0.999 172 T CA -1.314 60.791 62.100 0.008 0.000 0.983 172 T CB 2.174 71.047 68.868 0.008 0.000 0.968 172 T HN 0.483 nan 8.240 nan 0.000 0.446 173 P HA 0.545 nan 4.420 nan 0.000 0.276 173 P C -0.685 176.618 177.300 0.005 0.000 1.244 173 P CA -0.400 62.703 63.100 0.006 0.000 0.801 173 P CB 0.972 32.675 31.700 0.005 0.000 1.006 174 A N 1.453 124.276 122.820 0.004 0.000 3.981 174 A HA 0.776 5.094 4.320 -0.004 0.000 0.153 174 A C -0.125 177.461 177.584 0.004 0.000 1.090 174 A CA -0.272 51.767 52.037 0.004 0.000 0.990 174 A CB -0.263 18.739 19.000 0.004 0.000 1.553 174 A HN 0.549 nan 8.150 nan 0.000 0.696 175 A N 0.027 122.849 122.820 0.003 0.000 2.407 175 A HA 0.456 4.774 4.320 -0.004 0.000 0.248 175 A C 0.347 177.932 177.584 0.003 0.000 1.082 175 A CA 0.052 52.091 52.037 0.003 0.000 0.785 175 A CB -0.308 18.694 19.000 0.002 0.000 1.020 175 A HN 0.703 nan 8.150 nan 0.000 0.489 176 E N 0.786 120.987 120.200 0.003 0.000 2.558 176 E HA 0.249 4.597 4.350 -0.004 0.000 0.255 176 E C 1.202 177.803 176.600 0.002 0.000 0.968 176 E CA 1.090 57.491 56.400 0.003 0.000 0.939 176 E CB -0.096 29.606 29.700 0.002 0.000 0.921 176 E HN 1.471 nan 8.360 nan 0.000 0.477 177 G N 3.763 112.565 108.800 0.002 0.000 2.234 177 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.235 177 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.235 177 G C 0.004 174.905 174.900 0.002 0.000 0.997 177 G CA 0.212 45.313 45.100 0.002 0.000 0.623 177 G HN 0.595 nan 8.290 nan 0.000 0.514 178 E N 1.500 121.702 120.200 0.002 0.000 2.283 178 E HA 0.469 4.816 4.350 -0.004 0.000 0.271 178 E C -2.439 174.162 176.600 0.002 0.000 1.031 178 E CA -2.065 54.337 56.400 0.002 0.000 0.868 178 E CB 1.311 31.013 29.700 0.002 0.000 1.094 178 E HN 0.111 nan 8.360 nan 0.000 0.401 179 P HA -0.035 nan 4.420 nan 0.000 0.267 179 P C -1.017 176.285 177.300 0.003 0.000 1.200 179 P CA 0.099 63.200 63.100 0.002 0.000 0.772 179 P CB 0.526 32.226 31.700 0.001 0.000 0.855 180 A N 2.234 125.056 122.820 0.003 0.000 2.425 180 A HA 0.122 4.440 4.320 -0.004 0.000 0.242 180 A C 0.166 177.752 177.584 0.004 0.000 1.077 180 A CA 0.039 52.079 52.037 0.004 0.000 0.781 180 A CB -0.410 18.593 19.000 0.005 0.000 1.020 180 A HN 0.564 nan 8.150 nan 0.000 0.494 181 D N 0.687 121.089 120.400 0.005 0.000 2.295 181 D HA 0.430 5.067 4.640 -0.004 0.000 0.248 181 D C -0.701 175.603 176.300 0.005 0.000 1.154 181 D CA -0.015 53.988 54.000 0.005 0.000 0.857 181 D CB 0.820 41.623 40.800 0.006 0.000 1.117 181 D HN 0.199 nan 8.370 nan 0.000 0.468 182 V N 4.420 124.336 119.914 0.004 0.000 2.398 182 V HA 0.291 4.409 4.120 -0.004 0.000 0.286 182 V C -0.185 175.912 176.094 0.006 0.000 1.026 182 V CA -0.746 61.556 62.300 0.004 0.000 0.868 182 V CB 1.604 33.428 31.823 0.001 0.000 0.982 182 V HN 0.596 nan 8.190 nan 0.000 0.443 183 D N 4.056 124.460 120.400 0.008 0.000 2.381 183 D HA 0.348 4.986 4.640 -0.004 0.000 0.235 183 D C 0.543 176.850 176.300 0.011 0.000 1.068 183 D CA -0.353 53.655 54.000 0.012 0.000 0.832 183 D CB 1.943 42.752 40.800 0.015 0.000 1.101 183 D HN 0.426 nan 8.370 nan 0.000 0.515 184 L N 3.170 124.402 121.223 0.015 0.000 2.599 184 L HA 0.188 4.525 4.340 -0.004 0.000 0.230 184 L C 1.679 178.563 176.870 0.023 0.000 1.141 184 L CA 0.357 55.205 54.840 0.014 0.000 0.877 184 L CB -0.631 41.437 42.059 0.014 0.000 1.009 184 L HN 0.679 nan 8.230 nan 0.000 0.447 185 G N 0.593 109.410 108.800 0.029 0.000 2.566 185 G HA2 -0.431 3.526 3.960 -0.004 0.000 0.280 185 G HA3 -0.431 3.526 3.960 -0.004 0.000 0.280 185 G C 0.966 175.906 174.900 0.067 0.000 1.225 185 G CA 0.367 45.491 45.100 0.040 0.000 0.966 185 G HN 0.292 nan 8.290 nan 0.000 0.560 186 A N -0.721 122.146 122.820 0.079 0.000 1.997 186 A HA 0.183 4.501 4.320 -0.004 0.000 0.221 186 A C 2.832 180.499 177.584 0.139 0.000 1.172 186 A CA 3.476 55.578 52.037 0.108 0.000 0.645 186 A CB -0.856 18.206 19.000 0.104 0.000 0.813 186 A HN 2.364 nan 8.150 nan 0.000 0.454 187 A N -0.586 122.303 122.820 0.115 0.000 2.238 187 A HA 0.161 4.478 4.320 -0.004 0.000 0.208 187 A C 0.532 178.172 177.584 0.093 0.000 1.177 187 A CA -0.111 52.016 52.037 0.149 0.000 0.804 187 A CB -0.193 18.902 19.000 0.158 0.000 0.823 187 A HN 0.404 nan 8.150 nan 0.000 0.482 188 E N -0.030 120.225 120.200 0.092 0.000 2.585 188 E HA 0.178 4.526 4.350 -0.004 0.000 0.252 188 E C 1.227 177.879 176.600 0.087 0.000 0.981 188 E CA 1.154 57.601 56.400 0.079 0.000 0.943 188 E CB 0.059 29.814 29.700 0.092 0.000 0.923 188 E HN 0.705 nan 8.360 nan 0.000 0.486 189 G N 3.015 111.827 108.800 0.020 0.000 2.155 189 G HA2 -0.359 3.599 3.960 -0.004 0.000 0.257 189 G HA3 -0.359 3.599 3.960 -0.004 0.000 0.257 189 G C 0.367 175.150 174.900 -0.196 0.000 0.983 189 G CA 0.884 45.982 45.100 -0.003 0.000 0.676 189 G HN 0.622 nan 8.290 nan 0.000 0.528 190 Y N -0.158 119.909 120.300 -0.388 0.000 3.011 190 Y HA 0.691 5.238 4.550 -0.004 0.000 0.231 190 Y C 1.618 177.401 175.900 -0.194 0.000 0.983 190 Y CA 1.265 59.108 58.100 -0.429 0.000 1.429 190 Y CB -0.110 38.013 38.460 -0.560 0.000 1.491 190 Y HN 0.687 nan 8.280 nan 0.000 0.444 191 A N 1.994 124.626 122.820 -0.313 0.000 2.322 191 A HA 0.350 4.668 4.320 -0.004 0.000 0.269 191 A C -0.216 177.255 177.584 -0.189 0.000 1.094 191 A CA -0.450 51.403 52.037 -0.306 0.000 0.807 191 A CB 0.084 19.009 19.000 -0.124 0.000 1.047 191 A HN 0.497 nan 8.150 nan 0.000 0.487 192 E N -0.166 119.932 120.200 -0.170 0.000 2.319 192 E HA 0.356 4.704 4.350 -0.004 0.000 0.268 192 E C -1.298 175.257 176.600 -0.074 0.000 1.050 192 E CA -0.635 55.700 56.400 -0.109 0.000 0.878 192 E CB 1.593 31.231 29.700 -0.103 0.000 1.066 192 E HN 0.434 nan 8.360 nan 0.000 0.406 193 L N 2.397 123.589 121.223 -0.052 0.000 2.296 193 L HA 0.291 4.628 4.340 -0.004 0.000 0.286 193 L C -0.958 175.893 176.870 -0.031 0.000 1.023 193 L CA -0.216 54.602 54.840 -0.036 0.000 0.812 193 L CB 1.332 43.377 42.059 -0.024 0.000 1.223 193 L HN 0.307 nan 8.230 nan 0.000 0.421 194 D N 3.104 123.487 120.400 -0.028 0.000 2.438 194 D HA 0.224 4.862 4.640 -0.004 0.000 0.257 194 D C -1.012 175.279 176.300 -0.015 0.000 1.148 194 D CA -0.213 53.774 54.000 -0.022 0.000 0.902 194 D CB 0.399 41.184 40.800 -0.024 0.000 1.062 194 D HN 0.427 nan 8.370 nan 0.000 0.518 195 N N 2.516 121.209 118.700 -0.012 0.000 2.500 195 N HA 0.186 4.924 4.740 -0.004 0.000 0.236 195 N C 0.303 175.810 175.510 -0.005 0.000 1.022 195 N CA -0.286 52.759 53.050 -0.007 0.000 0.935 195 N CB 0.588 39.072 38.487 -0.005 0.000 1.147 195 N HN 0.190 nan 8.380 nan 0.000 0.512 196 R N 1.540 122.038 120.500 -0.003 0.000 2.397 196 R HA 0.292 4.630 4.340 -0.004 0.000 0.241 196 R C 0.039 176.339 176.300 0.001 0.000 0.914 196 R CA -0.254 55.844 56.100 -0.002 0.000 1.071 196 R CB -0.195 30.104 30.300 -0.002 0.000 1.116 196 R HN 0.469 nan 8.270 nan 0.000 0.524 197 A N 1.579 124.399 122.820 0.001 0.000 2.488 197 A HA 0.304 4.622 4.320 -0.004 0.000 0.249 197 A C 0.263 177.849 177.584 0.003 0.000 1.083 197 A CA -0.079 51.960 52.037 0.003 0.000 0.768 197 A CB 0.609 19.612 19.000 0.005 0.000 1.017 197 A HN 0.026 nan 8.150 nan 0.000 0.496 198 V N 2.331 122.248 119.914 0.004 0.000 2.975 198 V HA 0.595 4.713 4.120 -0.004 0.000 0.318 198 V C 0.417 176.513 176.094 0.004 0.000 1.077 198 V CA -0.346 61.956 62.300 0.003 0.000 1.000 198 V CB 2.257 34.082 31.823 0.003 0.000 1.066 198 V HN 0.937 nan 8.190 nan 0.000 0.452 199 T N 3.823 118.379 114.554 0.004 0.000 2.744 199 T HA 0.557 4.904 4.350 -0.004 0.000 0.291 199 T C 0.223 174.926 174.700 0.004 0.000 0.957 199 T CA 0.251 62.353 62.100 0.004 0.000 1.002 199 T CB 0.941 69.811 68.868 0.004 0.000 0.919 199 T HN 1.032 nan 8.240 nan 0.000 0.468 200 G N 1.620 110.422 108.800 0.004 0.000 2.528 200 G HA2 0.580 4.538 3.960 -0.004 0.000 0.289 200 G HA3 0.580 4.538 3.960 -0.004 0.000 0.289 200 G C 0.161 175.063 174.900 0.003 0.000 1.192 200 G CA -0.820 44.282 45.100 0.004 0.000 0.921 200 G HN 0.990 nan 8.290 nan 0.000 0.512 201 A N -0.320 122.502 122.820 0.003 0.000 2.547 201 A HA 0.507 4.824 4.320 -0.004 0.000 0.233 201 A C 1.182 178.768 177.584 0.003 0.000 1.067 201 A CA 0.484 52.523 52.037 0.003 0.000 0.763 201 A CB -0.309 18.692 19.000 0.003 0.000 1.007 201 A HN 2.014 nan 8.150 nan 0.000 0.506 202 A N 0.858 123.679 122.820 0.003 0.000 2.540 202 A HA 0.469 4.787 4.320 -0.004 0.000 0.239 202 A C 1.730 179.316 177.584 0.003 0.000 1.061 202 A CA 0.846 52.885 52.037 0.003 0.000 0.758 202 A CB -0.875 18.126 19.000 0.003 0.000 0.991 202 A HN 2.802 nan 8.150 nan 0.000 0.502 203 G N 1.487 110.289 108.800 0.003 0.000 2.168 203 G HA2 -0.222 3.735 3.960 -0.004 0.000 0.263 203 G HA3 -0.222 3.735 3.960 -0.004 0.000 0.263 203 G C 0.698 175.600 174.900 0.003 0.000 0.977 203 G CA 1.275 46.377 45.100 0.003 0.000 0.659 203 G HN 2.199 nan 8.290 nan 0.000 0.533 204 S N -0.201 115.501 115.700 0.003 0.000 2.634 204 S HA 0.746 5.213 4.470 -0.004 0.000 0.261 204 S C 0.714 175.316 174.600 0.004 0.000 1.271 204 S CA 0.428 58.630 58.200 0.003 0.000 0.985 204 S CB 1.641 64.843 63.200 0.003 0.000 0.968 204 S HN 1.898 nan 8.310 nan 0.000 0.568 205 A N 1.469 124.291 122.820 0.004 0.000 2.363 205 A HA 0.411 4.728 4.320 -0.004 0.000 0.270 205 A C 0.315 177.902 177.584 0.005 0.000 1.121 205 A CA -0.607 51.432 52.037 0.004 0.000 0.800 205 A CB -0.358 18.644 19.000 0.004 0.000 1.052 205 A HN 0.823 nan 8.150 nan 0.000 0.493 206 N N 1.607 120.310 118.700 0.006 0.000 2.408 206 N HA 0.197 4.935 4.740 -0.004 0.000 0.257 206 N C 0.481 175.996 175.510 0.008 0.000 1.064 206 N CA 0.587 53.641 53.050 0.007 0.000 0.952 206 N CB 0.787 39.278 38.487 0.007 0.000 1.093 206 N HN 0.611 nan 8.380 nan 0.000 0.490 207 T N 1.033 115.593 114.554 0.009 0.000 3.231 207 T HA 0.180 4.528 4.350 -0.004 0.000 0.292 207 T C 0.435 175.144 174.700 0.014 0.000 1.001 207 T CA -0.532 61.574 62.100 0.011 0.000 0.920 207 T CB -0.441 68.433 68.868 0.010 0.000 1.140 207 T HN 0.275 nan 8.240 nan 0.000 0.525 208 L N 2.503 123.735 121.223 0.015 0.000 2.455 208 L HA 0.533 4.871 4.340 -0.004 0.000 0.272 208 L C -0.676 176.209 176.870 0.025 0.000 1.174 208 L CA 0.197 55.047 54.840 0.017 0.000 0.869 208 L CB 0.769 42.837 42.059 0.016 0.000 1.130 208 L HN 0.156 nan 8.230 nan 0.000 0.474 209 V N 6.803 126.734 119.914 0.028 0.000 2.577 209 V HA 0.445 4.562 4.120 -0.004 0.000 0.303 209 V C -0.252 175.865 176.094 0.038 0.000 1.042 209 V CA -0.466 61.858 62.300 0.041 0.000 0.872 209 V CB 1.829 33.677 31.823 0.041 0.000 0.998 209 V HN 0.570 nan 8.190 nan 0.000 0.423 210 I N 4.115 124.716 120.570 0.053 0.000 2.355 210 I HA 0.532 4.700 4.170 -0.004 0.000 0.288 210 I C -0.758 175.378 176.117 0.033 0.000 0.999 210 I CA -0.186 61.135 61.300 0.035 0.000 1.163 210 I CB 1.661 39.681 38.000 0.033 0.000 1.316 210 I HN 0.520 nan 8.210 nan 0.000 0.454 211 D N 5.028 125.425 120.400 -0.005 0.000 2.419 211 D HA 0.421 5.058 4.640 -0.004 0.000 0.234 211 D C -0.854 175.399 176.300 -0.079 0.000 1.014 211 D CA -0.782 53.193 54.000 -0.043 0.000 0.919 211 D CB 2.176 42.968 40.800 -0.013 0.000 1.366 211 D HN 0.392 nan 8.370 nan 0.000 0.490 212 R N 2.510 122.934 120.500 -0.127 0.000 2.320 212 R HA 0.470 4.807 4.340 -0.004 0.000 0.319 212 R C -2.473 173.775 176.300 -0.086 0.000 0.969 212 R CA -1.734 54.303 56.100 -0.104 0.000 0.857 212 R CB 1.229 31.456 30.300 -0.122 0.000 1.160 212 R HN 0.235 nan 8.270 nan 0.000 0.491 213 P HA -0.083 nan 4.420 nan 0.000 0.269 213 P C -0.332 176.947 177.300 -0.035 0.000 1.209 213 P CA -0.334 62.743 63.100 -0.038 0.000 0.776 213 P CB 0.806 32.490 31.700 -0.028 0.000 0.876 214 V N 3.203 123.104 119.914 -0.021 0.000 2.673 214 V HA 0.244 4.362 4.120 -0.004 0.000 0.303 214 V C 1.411 177.500 176.094 -0.009 0.000 1.046 214 V CA 1.724 64.017 62.300 -0.011 0.000 1.126 214 V CB -0.543 31.283 31.823 0.005 0.000 0.934 214 V HN 0.991 nan 8.190 nan 0.000 0.487 215 G N 3.821 112.619 108.800 -0.004 0.000 2.179 215 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.257 215 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.257 215 G C 0.224 175.114 174.900 -0.016 0.000 1.010 215 G CA 0.823 45.921 45.100 -0.003 0.000 0.736 215 G HN 1.737 nan 8.290 nan 0.000 0.513 216 T N -3.519 111.018 114.554 -0.028 0.000 2.901 216 T HA 0.635 4.983 4.350 -0.004 0.000 0.293 216 T C -0.161 174.502 174.700 -0.061 0.000 1.084 216 T CA -0.353 61.720 62.100 -0.045 0.000 1.008 216 T CB 2.136 70.975 68.868 -0.047 0.000 1.170 216 T HN 0.170 nan 8.240 nan 0.000 0.509 217 N N 0.393 119.037 118.700 -0.093 0.000 2.635 217 N HA 0.325 5.063 4.740 -0.004 0.000 0.307 217 N C -1.129 174.293 175.510 -0.145 0.000 1.433 217 N CA -0.306 52.662 53.050 -0.137 0.000 0.973 217 N CB 0.264 38.615 38.487 -0.226 0.000 1.304 217 N HN 0.695 nan 8.380 nan 0.000 0.507 218 T N 0.965 115.459 114.554 -0.100 0.000 2.807 218 T HA 0.393 4.740 4.350 -0.004 0.000 0.279 218 T C -0.201 174.458 174.700 -0.069 0.000 0.993 218 T CA -0.517 61.532 62.100 -0.085 0.000 0.970 218 T CB 1.144 69.971 68.868 -0.067 0.000 0.950 218 T HN -0.029 nan 8.240 nan 0.000 0.441 219 I N 3.303 123.836 120.570 -0.061 0.000 2.301 219 I HA 0.429 4.597 4.170 -0.004 0.000 0.292 219 I C 0.581 176.676 176.117 -0.036 0.000 1.046 219 I CA -1.106 60.165 61.300 -0.048 0.000 1.282 219 I CB 0.010 37.986 38.000 -0.039 0.000 1.409 219 I HN 0.698 nan 8.210 nan 0.000 0.484 220 A N 7.472 130.273 122.820 -0.033 0.000 2.249 220 A HA 0.669 4.987 4.320 -0.004 0.000 0.314 220 A C -0.343 177.234 177.584 -0.011 0.000 1.290 220 A CA -0.456 51.568 52.037 -0.021 0.000 0.893 220 A CB 0.596 19.584 19.000 -0.021 0.000 1.165 220 A HN 0.417 nan 8.150 nan 0.000 0.530 221 V N 3.534 123.444 119.914 -0.007 0.000 2.357 221 V HA 0.578 4.696 4.120 -0.004 0.000 0.284 221 V C 0.405 176.501 176.094 0.003 0.000 1.018 221 V CA -0.246 62.054 62.300 0.001 0.000 0.841 221 V CB 0.901 32.724 31.823 0.001 0.000 0.991 221 V HN 1.024 nan 8.190 nan 0.000 0.437 222 T N 1.056 115.615 114.554 0.008 0.000 2.927 222 T HA 0.963 5.310 4.350 -0.004 0.000 0.286 222 T C 0.320 175.026 174.700 0.011 0.000 1.040 222 T CA -0.132 61.973 62.100 0.008 0.000 1.010 222 T CB 1.874 70.747 68.868 0.009 0.000 1.177 222 T HN 1.806 nan 8.240 nan 0.000 0.546 223 G N 0.230 109.036 108.800 0.009 0.000 2.610 223 G HA2 0.142 4.099 3.960 -0.004 0.000 0.304 223 G HA3 0.142 4.099 3.960 -0.004 0.000 0.304 223 G C -0.463 174.441 174.900 0.008 0.000 1.309 223 G CA -0.331 44.775 45.100 0.010 0.000 0.906 223 G HN 1.046 nan 8.290 nan 0.000 0.521 224 S N -0.941 114.764 115.700 0.008 0.000 2.472 224 S HA 0.680 5.147 4.470 -0.004 0.000 0.303 224 S C -0.623 173.981 174.600 0.007 0.000 1.099 224 S CA -0.447 57.757 58.200 0.007 0.000 1.077 224 S CB 1.371 64.575 63.200 0.006 0.000 1.031 224 S HN 1.164 nan 8.310 nan 0.000 0.487 225 L N 6.449 127.676 121.223 0.007 0.000 2.298 225 L HA 0.574 4.912 4.340 -0.004 0.000 0.284 225 L C -2.561 174.312 176.870 0.006 0.000 1.013 225 L CA -2.004 52.840 54.840 0.007 0.000 0.824 225 L CB 1.242 43.305 42.059 0.007 0.000 1.221 225 L HN 0.361 nan 8.230 nan 0.000 0.418 226 P HA 0.043 nan 4.420 nan 0.000 0.265 226 P C 0.046 177.349 177.300 0.005 0.000 1.187 226 P CA 0.193 63.296 63.100 0.005 0.000 0.766 226 P CB 0.750 32.453 31.700 0.005 0.000 0.820 227 A N 3.359 126.182 122.820 0.004 0.000 2.019 227 A HA -0.186 4.132 4.320 -0.004 0.000 0.219 227 A C 1.404 178.991 177.584 0.004 0.000 1.164 227 A CA 1.916 53.955 52.037 0.004 0.000 0.644 227 A CB -0.984 18.018 19.000 0.004 0.000 0.805 227 A HN 0.630 nan 8.150 nan 0.000 0.449 228 D N -0.349 120.054 120.400 0.004 0.000 2.339 228 D HA 0.366 5.004 4.640 -0.004 0.000 0.217 228 D C 0.705 177.008 176.300 0.004 0.000 1.050 228 D CA 0.472 54.474 54.000 0.004 0.000 0.856 228 D CB -0.553 40.249 40.800 0.003 0.000 0.922 228 D HN 0.360 nan 8.370 nan 0.000 0.518 229 A N 0.487 123.310 122.820 0.005 0.000 2.386 229 A HA 0.577 4.895 4.320 -0.004 0.000 0.248 229 A C 0.644 178.231 177.584 0.006 0.000 1.082 229 A CA -0.097 51.944 52.037 0.005 0.000 0.789 229 A CB 0.239 19.242 19.000 0.006 0.000 1.025 229 A HN 0.346 nan 8.150 nan 0.000 0.490 230 A N 2.411 125.235 122.820 0.006 0.000 2.407 230 A HA 0.558 4.876 4.320 -0.004 0.000 0.248 230 A C -2.176 175.413 177.584 0.008 0.000 1.082 230 A CA -1.133 50.908 52.037 0.007 0.000 0.785 230 A CB -0.771 18.233 19.000 0.007 0.000 1.020 230 A HN 0.660 nan 8.150 nan 0.000 0.489 231 P HA 0.152 nan 4.420 nan 0.000 0.264 231 P C -0.746 176.560 177.300 0.010 0.000 1.183 231 P CA 0.058 63.164 63.100 0.009 0.000 0.763 231 P CB 0.393 32.099 31.700 0.010 0.000 0.807 232 V N 3.627 123.547 119.914 0.010 0.000 2.385 232 V HA 0.298 4.416 4.120 -0.004 0.000 0.269 232 V C 0.664 176.764 176.094 0.011 0.000 1.043 232 V CA -0.086 62.221 62.300 0.011 0.000 0.906 232 V CB 0.778 32.609 31.823 0.013 0.000 0.995 232 V HN 0.690 nan 8.190 nan 0.000 0.467 233 T N 2.595 117.156 114.554 0.011 0.000 2.797 233 T HA 0.859 5.207 4.350 -0.004 0.000 0.279 233 T C -0.484 174.220 174.700 0.007 0.000 0.991 233 T CA -0.445 61.660 62.100 0.007 0.000 0.979 233 T CB 1.788 70.661 68.868 0.009 0.000 0.943 233 T HN 1.016 nan 8.240 nan 0.000 0.444 234 A N 4.037 126.858 122.820 0.001 0.000 2.455 234 A HA 0.677 4.994 4.320 -0.004 0.000 0.300 234 A C -0.598 176.978 177.584 -0.014 0.000 1.040 234 A CA -0.971 51.074 52.037 0.013 0.000 0.697 234 A CB 1.252 20.277 19.000 0.041 0.000 1.265 234 A HN 0.950 nan 8.150 nan 0.000 0.407 235 L N 3.303 124.520 121.223 -0.010 0.000 2.313 235 L HA 0.437 4.775 4.340 -0.004 0.000 0.282 235 L C 0.123 176.992 176.870 -0.001 0.000 1.092 235 L CA -0.407 54.406 54.840 -0.044 0.000 0.831 235 L CB 0.394 42.429 42.059 -0.040 0.000 1.159 235 L HN 0.610 nan 8.230 nan 0.000 0.442 236 R N 1.465 121.944 120.500 -0.036 0.000 2.740 236 R HA 0.442 4.780 4.340 -0.004 0.000 0.282 236 R C -0.129 176.138 176.300 -0.055 0.000 0.969 236 R CA -0.651 55.414 56.100 -0.058 0.000 0.918 236 R CB 2.134 32.395 30.300 -0.064 0.000 1.175 236 R HN 0.654 nan 8.270 nan 0.000 0.464 237 T N -1.721 112.786 114.554 -0.078 0.000 2.882 237 T HA 0.444 4.792 4.350 -0.004 0.000 0.287 237 T C 0.705 175.402 174.700 -0.003 0.000 1.014 237 T CA -0.684 61.397 62.100 -0.031 0.000 1.049 237 T CB 0.978 69.820 68.868 -0.044 0.000 1.001 237 T HN 0.350 nan 8.240 nan 0.000 0.525 238 V N -0.968 118.979 119.914 0.055 0.000 2.881 238 V HA 0.611 4.729 4.120 -0.004 0.000 0.316 238 V C -0.269 175.891 176.094 0.111 0.000 1.070 238 V CA -1.265 61.098 62.300 0.105 0.000 0.976 238 V CB 1.454 33.427 31.823 0.250 0.000 1.038 238 V HN 0.950 nan 8.190 nan 0.000 0.446 239 D N 2.005 122.462 120.400 0.095 0.000 2.389 239 D HA 0.198 4.835 4.640 -0.004 0.000 0.247 239 D C 0.120 176.535 176.300 0.192 0.000 1.128 239 D CA 0.748 54.806 54.000 0.097 0.000 0.884 239 D CB 0.305 41.122 40.800 0.029 0.000 1.194 239 D HN 0.799 nan 8.370 nan 0.000 0.441 240 E N 2.411 122.704 120.200 0.155 0.000 2.414 240 E HA -0.146 4.201 4.350 -0.004 0.000 0.173 240 E C -1.865 174.821 176.600 0.144 0.000 1.551 240 E CA 0.077 56.572 56.400 0.159 0.000 0.661 240 E CB -0.907 28.901 29.700 0.182 0.000 1.108 240 E HN 0.513 nan 8.360 nan 0.000 0.365 241 P HA -0.239 nan 4.420 nan 0.000 0.217 241 P C 1.375 178.669 177.300 -0.010 0.000 1.151 241 P CA 2.322 65.451 63.100 0.049 0.000 0.849 241 P CB 0.149 31.890 31.700 0.067 0.000 0.787 242 A N -0.271 122.555 122.820 0.010 0.000 1.930 242 A HA -0.076 4.241 4.320 -0.004 0.000 0.217 242 A C 2.323 179.884 177.584 -0.038 0.000 1.175 242 A CA 1.961 53.991 52.037 -0.012 0.000 0.627 242 A CB -1.493 17.515 19.000 0.014 0.000 0.815 242 A HN 0.209 nan 8.150 nan 0.000 0.443 243 A N -0.545 122.259 122.820 -0.026 0.000 1.933 243 A HA -0.003 4.315 4.320 -0.004 0.000 0.218 243 A C 2.100 179.448 177.584 -0.394 0.000 1.175 243 A CA 1.679 53.685 52.037 -0.052 0.000 0.628 243 A CB -0.538 18.567 19.000 0.174 0.000 0.814 243 A HN 0.632 nan 8.150 nan 0.000 0.444 244 L N -0.184 120.601 121.223 -0.731 0.000 2.056 244 L HA -0.015 4.323 4.340 -0.004 0.000 0.207 244 L C 2.672 179.385 176.870 -0.261 0.000 1.078 244 L CA 2.093 56.415 54.840 -0.862 0.000 0.749 244 L CB -0.981 40.684 42.059 -0.657 0.000 0.901 244 L HN 0.344 nan 8.230 nan 0.000 0.433 245 A N -0.345 122.387 122.820 -0.147 0.000 1.892 245 A HA -0.176 4.142 4.320 -0.004 0.000 0.218 245 A C 2.369 179.952 177.584 -0.002 0.000 1.188 245 A CA 1.930 53.935 52.037 -0.053 0.000 0.631 245 A CB -1.701 17.266 19.000 -0.056 0.000 0.822 245 A HN 0.541 nan 8.150 nan 0.000 0.447 246 G N -1.402 107.392 108.800 -0.011 0.000 2.440 246 G HA2 -0.316 3.642 3.960 -0.004 0.000 0.218 246 G HA3 -0.316 3.642 3.960 -0.004 0.000 0.218 246 G C 1.480 176.421 174.900 0.069 0.000 1.154 246 G CA 1.562 46.692 45.100 0.051 0.000 0.767 246 G HN 0.801 nan 8.290 nan 0.000 0.552 247 H N 0.484 119.505 119.070 -0.082 0.000 2.321 247 H HA 0.074 4.628 4.556 -0.004 0.000 0.300 247 H C 2.488 177.801 175.328 -0.026 0.000 1.087 247 H CA 1.560 57.568 56.048 -0.067 0.000 1.319 247 H CB -0.299 29.377 29.762 -0.144 0.000 1.379 247 H HN 0.267 nan 8.280 nan 0.000 0.501 248 L N -0.966 120.216 121.223 -0.069 0.000 2.141 248 L HA -0.118 4.220 4.340 -0.004 0.000 0.209 248 L C 2.130 178.989 176.870 -0.018 0.000 1.094 248 L CA 0.834 55.631 54.840 -0.072 0.000 0.763 248 L CB -0.419 41.657 42.059 0.028 0.000 0.908 248 L HN 0.287 nan 8.230 nan 0.000 0.437 249 F N 1.567 121.449 119.950 -0.114 0.000 2.186 249 F HA -0.236 4.289 4.527 -0.004 0.000 0.299 249 F C 2.480 178.217 175.800 -0.105 0.000 1.090 249 F CA 1.815 59.761 58.000 -0.090 0.000 1.307 249 F CB -0.191 38.770 39.000 -0.064 0.000 1.019 249 F HN 0.161 nan 8.300 nan 0.000 0.489 250 E N 0.449 120.543 120.200 -0.178 0.000 2.070 250 E HA -0.269 4.079 4.350 -0.004 0.000 0.197 250 E C 1.937 178.368 176.600 -0.281 0.000 1.004 250 E CA 2.294 58.543 56.400 -0.252 0.000 0.805 250 E CB -0.581 29.015 29.700 -0.172 0.000 0.744 250 E HN 0.591 nan 8.360 nan 0.000 0.451 251 E N 0.128 120.163 120.200 -0.276 0.000 2.072 251 E HA -0.159 4.189 4.350 -0.004 0.000 0.191 251 E C 2.151 178.638 176.600 -0.188 0.000 0.985 251 E CA 0.923 57.192 56.400 -0.219 0.000 0.801 251 E CB -0.260 29.309 29.700 -0.218 0.000 0.750 251 E HN 0.468 nan 8.360 nan 0.000 0.452 252 A N 1.345 124.046 122.820 -0.198 0.000 1.883 252 A HA -0.197 4.121 4.320 -0.004 0.000 0.217 252 A C 2.204 179.635 177.584 -0.255 0.000 1.186 252 A CA 1.179 53.111 52.037 -0.176 0.000 0.624 252 A CB -0.729 18.212 19.000 -0.099 0.000 0.822 252 A HN 0.137 nan 8.150 nan 0.000 0.444 253 L N -1.267 119.696 121.223 -0.434 0.000 1.989 253 L HA -0.224 4.113 4.340 -0.004 0.000 0.211 253 L C 2.729 179.463 176.870 -0.226 0.000 1.071 253 L CA 1.962 56.561 54.840 -0.401 0.000 0.749 253 L CB -0.511 41.237 42.059 -0.520 0.000 0.890 253 L HN 0.436 nan 8.230 nan 0.000 0.431 254 E N -0.321 119.760 120.200 -0.199 0.000 2.077 254 E HA -0.229 4.119 4.350 -0.004 0.000 0.193 254 E C 2.317 178.856 176.600 -0.102 0.000 0.989 254 E CA 1.417 57.738 56.400 -0.132 0.000 0.800 254 E CB -0.096 29.532 29.700 -0.121 0.000 0.746 254 E HN 0.290 nan 8.360 nan 0.000 0.452 255 S N -0.015 115.622 115.700 -0.105 0.000 2.400 255 S HA -0.121 4.347 4.470 -0.004 0.000 0.232 255 S C 1.294 175.853 174.600 -0.067 0.000 1.025 255 S CA 1.221 59.375 58.200 -0.076 0.000 0.993 255 S CB -0.337 62.820 63.200 -0.071 0.000 0.808 255 S HN 0.295 nan 8.310 nan 0.000 0.478 256 N N 0.730 119.379 118.700 -0.084 0.000 2.313 256 N HA 0.163 4.900 4.740 -0.004 0.000 0.207 256 N C 0.848 176.321 175.510 -0.061 0.000 1.141 256 N CA 0.600 53.610 53.050 -0.066 0.000 0.830 256 N CB 0.388 38.834 38.487 -0.068 0.000 1.008 256 N HN 0.597 nan 8.380 nan 0.000 0.481 257 G N 0.660 109.422 108.800 -0.064 0.000 2.198 257 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.257 257 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.257 257 G C -0.209 174.657 174.900 -0.057 0.000 1.042 257 G CA -0.117 44.952 45.100 -0.052 0.000 0.791 257 G HN 0.187 nan 8.290 nan 0.000 0.502 258 V N 1.333 121.200 119.914 -0.079 0.000 2.334 258 V HA 0.486 4.603 4.120 -0.004 0.000 0.281 258 V C 0.661 176.702 176.094 -0.087 0.000 1.016 258 V CA -0.179 62.073 62.300 -0.081 0.000 0.832 258 V CB 1.610 33.372 31.823 -0.102 0.000 0.999 258 V HN 0.366 nan 8.190 nan 0.000 0.439 259 T N 4.793 119.309 114.554 -0.063 0.000 2.737 259 T HA 0.358 4.706 4.350 -0.004 0.000 0.296 259 T C 0.000 174.666 174.700 -0.057 0.000 0.922 259 T CA -0.237 61.829 62.100 -0.057 0.000 1.079 259 T CB 0.931 69.775 68.868 -0.039 0.000 0.892 259 T HN 0.336 nan 8.240 nan 0.000 0.514 260 V N 5.272 125.144 119.914 -0.069 0.000 2.350 260 V HA 0.265 4.382 4.120 -0.004 0.000 0.276 260 V C 0.971 177.037 176.094 -0.048 0.000 1.028 260 V CA -0.660 61.602 62.300 -0.063 0.000 0.860 260 V CB 1.258 33.028 31.823 -0.088 0.000 0.990 260 V HN 0.718 nan 8.190 nan 0.000 0.453 261 K N 3.020 123.400 120.400 -0.033 0.000 2.356 261 K HA 0.262 4.579 4.320 -0.004 0.000 0.195 261 K C 1.009 177.594 176.600 -0.025 0.000 1.037 261 K CA 0.533 56.806 56.287 -0.024 0.000 1.014 261 K CB 0.674 33.166 32.500 -0.013 0.000 0.815 261 K HN 0.763 nan 8.250 nan 0.000 0.507 262 G N 0.254 109.033 108.800 -0.034 0.000 2.890 262 G HA2 0.231 4.189 3.960 -0.004 0.000 0.189 262 G HA3 0.231 4.189 3.960 -0.004 0.000 0.189 262 G C -0.612 174.248 174.900 -0.067 0.000 1.342 262 G CA -0.392 44.683 45.100 -0.043 0.000 1.026 262 G HN -0.051 nan 8.290 nan 0.000 0.579 263 D N -1.023 119.316 120.400 -0.101 0.000 2.437 263 D HA 0.518 5.156 4.640 -0.004 0.000 0.259 263 D C -0.364 175.822 176.300 -0.189 0.000 1.118 263 D CA -0.122 53.809 54.000 -0.115 0.000 1.017 263 D CB 1.958 42.697 40.800 -0.101 0.000 1.120 263 D HN 0.055 nan 8.370 nan 0.000 0.541 264 V N -0.081 119.752 119.914 -0.134 0.000 2.495 264 V HA 0.819 4.937 4.120 -0.004 0.000 0.298 264 V C 0.643 176.665 176.094 -0.119 0.000 1.031 264 V CA -0.390 61.827 62.300 -0.138 0.000 0.871 264 V CB 1.342 33.155 31.823 -0.018 0.000 0.988 264 V HN 0.754 nan 8.190 nan 0.000 0.432 265 G N 3.167 111.861 108.800 -0.177 0.000 2.554 265 G HA2 0.570 4.527 3.960 -0.004 0.000 0.306 265 G HA3 0.570 4.527 3.960 -0.004 0.000 0.306 265 G C -1.613 173.318 174.900 0.051 0.000 1.320 265 G CA -0.940 44.133 45.100 -0.044 0.000 0.800 265 G HN 0.554 nan 8.290 nan 0.000 0.481 266 L N 0.253 121.558 121.223 0.136 0.000 2.395 266 L HA 0.698 5.036 4.340 -0.004 0.000 0.269 266 L C 0.752 177.805 176.870 0.306 0.000 1.133 266 L CA -0.034 54.915 54.840 0.182 0.000 0.812 266 L CB 1.250 43.383 42.059 0.123 0.000 1.125 266 L HN 1.007 nan 8.230 nan 0.000 0.452 267 G N 0.887 109.842 108.800 0.258 0.000 2.443 267 G HA2 0.438 4.395 3.960 -0.004 0.000 0.303 267 G HA3 0.438 4.395 3.960 -0.004 0.000 0.303 267 G C -1.016 173.976 174.900 0.153 0.000 1.613 267 G CA -0.378 44.804 45.100 0.136 0.000 0.879 267 G HN 0.810 nan 8.290 nan 0.000 0.632 268 G N -0.412 108.390 108.800 0.004 0.000 2.425 268 G HA2 0.609 4.567 3.960 -0.004 0.000 0.302 268 G HA3 0.609 4.567 3.960 -0.004 0.000 0.302 268 G C 0.302 174.934 174.900 -0.447 0.000 1.159 268 G CA -0.512 44.525 45.100 -0.105 0.000 0.865 268 G HN 1.225 nan 8.290 nan 0.000 0.515 269 V N 3.065 122.529 119.914 -0.750 0.000 2.539 269 V HA -0.028 4.090 4.120 -0.004 0.000 0.300 269 V C -0.783 174.766 176.094 -0.909 0.000 1.019 269 V CA -0.344 61.179 62.300 -1.295 0.000 1.160 269 V CB 0.995 32.324 31.823 -0.823 0.000 0.901 269 V HN 0.666 nan 8.190 nan 0.000 0.481 270 P HA -0.205 nan 4.420 nan 0.000 0.218 270 P C 1.264 178.345 177.300 -0.366 0.000 1.146 270 P CA 1.701 64.397 63.100 -0.673 0.000 0.820 270 P CB 0.060 31.297 31.700 -0.772 0.000 0.778 271 A N -1.138 121.499 122.820 -0.306 0.000 4.219 271 A HA -0.384 3.934 4.320 -0.004 0.000 0.252 271 A C 1.858 179.438 177.584 -0.006 0.000 0.737 271 A CA 1.865 53.840 52.037 -0.104 0.000 1.245 271 A CB -2.705 16.236 19.000 -0.098 0.000 1.105 271 A HN 0.315 nan 8.150 nan 0.000 0.713 272 D N -1.294 119.103 120.400 -0.005 0.000 2.203 272 D HA -0.159 4.479 4.640 -0.004 0.000 0.199 272 D C 0.415 176.868 176.300 0.255 0.000 0.997 272 D CA 1.256 55.318 54.000 0.104 0.000 0.863 272 D CB -0.242 40.627 40.800 0.114 0.000 0.928 272 D HN 0.644 nan 8.370 nan 0.000 0.458 273 W N 2.150 123.414 121.300 -0.059 0.000 2.605 273 W HA 0.199 4.857 4.660 -0.003 0.000 0.327 273 W C 1.517 178.012 176.519 -0.041 0.000 1.332 273 W CA -0.640 56.673 57.345 -0.053 0.000 1.403 273 W CB -0.031 29.379 29.460 -0.084 0.000 1.452 273 W HN 0.015 nan 8.180 nan 0.000 0.503 274 Q N 1.786 121.664 119.800 0.131 0.000 1.985 274 Q HA -0.168 4.170 4.340 -0.004 0.000 0.207 274 Q C -0.021 176.011 176.000 0.054 0.000 0.996 274 Q CA 1.896 57.737 55.803 0.062 0.000 0.851 274 Q CB 0.038 28.787 28.738 0.019 0.000 0.921 274 Q HN 0.333 nan 8.270 nan 0.000 0.418 275 D N -0.667 119.750 120.400 0.029 0.000 2.336 275 D HA 0.346 4.983 4.640 -0.004 0.000 0.248 275 D C -1.493 174.815 176.300 0.013 0.000 1.326 275 D CA -0.049 53.967 54.000 0.026 0.000 0.973 275 D CB 1.076 41.878 40.800 0.004 0.000 1.255 275 D HN 0.321 nan 8.370 nan 0.000 0.558 276 A N 2.290 125.160 122.820 0.084 0.000 2.520 276 A HA 0.117 4.434 4.320 -0.004 0.000 0.245 276 A C 0.507 178.117 177.584 0.044 0.000 1.072 276 A CA 0.156 52.258 52.037 0.109 0.000 0.761 276 A CB 0.471 19.657 19.000 0.309 0.000 1.004 276 A HN 0.430 nan 8.150 nan 0.000 0.499 277 E N 2.266 122.464 120.200 -0.003 0.000 2.180 277 E HA 0.362 4.710 4.350 -0.004 0.000 0.283 277 E C -0.731 175.895 176.600 0.043 0.000 1.061 277 E CA -0.044 56.357 56.400 0.002 0.000 0.861 277 E CB 0.591 30.271 29.700 -0.033 0.000 1.056 277 E HN 0.334 nan 8.360 nan 0.000 0.407 278 V N 7.597 127.533 119.914 0.036 0.000 2.389 278 V HA 0.073 4.190 4.120 -0.004 0.000 0.264 278 V C 1.123 177.240 176.094 0.039 0.000 1.049 278 V CA 0.002 62.327 62.300 0.042 0.000 0.932 278 V CB 0.700 32.535 31.823 0.019 0.000 1.011 278 V HN 0.805 nan 8.190 nan 0.000 0.475 279 L N 3.852 125.111 121.223 0.060 0.000 2.513 279 L HA 0.543 4.881 4.340 -0.004 0.000 0.222 279 L C 0.845 177.754 176.870 0.065 0.000 1.096 279 L CA 0.566 55.443 54.840 0.062 0.000 0.857 279 L CB 0.304 42.413 42.059 0.085 0.000 1.026 279 L HN 0.755 nan 8.230 nan 0.000 0.469 280 A N 0.195 123.052 122.820 0.063 0.000 2.605 280 A HA 0.584 4.902 4.320 -0.004 0.000 0.294 280 A C -1.869 175.732 177.584 0.027 0.000 1.062 280 A CA -0.686 51.385 52.037 0.057 0.000 0.682 280 A CB 1.400 20.459 19.000 0.097 0.000 1.278 280 A HN 0.095 nan 8.150 nan 0.000 0.410 281 D N 0.102 120.517 120.400 0.026 0.000 2.583 281 D HA 0.638 5.276 4.640 -0.004 0.000 0.248 281 D C -1.119 175.222 176.300 0.068 0.000 1.209 281 D CA -0.256 53.751 54.000 0.011 0.000 0.848 281 D CB 1.732 42.518 40.800 -0.024 0.000 1.431 281 D HN 0.697 nan 8.370 nan 0.000 0.436 282 H N -1.325 117.703 119.070 -0.070 0.000 2.974 282 H HA 0.526 5.079 4.556 -0.004 0.000 0.366 282 H C -1.580 173.702 175.328 -0.077 0.000 1.155 282 H CA -0.153 55.858 56.048 -0.062 0.000 1.186 282 H CB 2.247 31.975 29.762 -0.057 0.000 1.799 282 H HN 0.306 nan 8.280 nan 0.000 0.541 283 T N 3.305 117.404 114.554 -0.758 0.000 2.792 283 T HA 0.354 4.702 4.350 -0.004 0.000 0.280 283 T C -0.116 174.151 174.700 -0.721 0.000 0.990 283 T CA -0.522 61.244 62.100 -0.556 0.000 0.960 283 T CB 0.971 69.645 68.868 -0.325 0.000 0.939 283 T HN 0.755 nan 8.240 nan 0.000 0.439 284 S N 2.781 118.253 115.700 -0.381 0.000 2.598 284 S HA 0.593 5.060 4.470 -0.004 0.000 0.256 284 S C 0.835 175.345 174.600 -0.150 0.000 1.350 284 S CA -0.503 57.592 58.200 -0.175 0.000 0.984 284 S CB 0.282 63.502 63.200 0.033 0.000 0.930 284 S HN 0.949 nan 8.310 nan 0.000 0.577 285 A N 0.786 123.562 122.820 -0.073 0.000 2.346 285 A HA 0.380 4.698 4.320 -0.004 0.000 0.255 285 A C 0.440 177.995 177.584 -0.049 0.000 1.113 285 A CA -0.446 51.564 52.037 -0.045 0.000 0.798 285 A CB -0.378 18.626 19.000 0.006 0.000 1.073 285 A HN 0.921 nan 8.150 nan 0.000 0.502 286 E N -0.977 119.202 120.200 -0.035 0.000 2.345 286 E HA 0.222 4.570 4.350 -0.004 0.000 0.259 286 E C 0.830 177.445 176.600 0.026 0.000 1.117 286 E CA -0.681 55.688 56.400 -0.050 0.000 0.913 286 E CB 0.655 30.332 29.700 -0.038 0.000 1.057 286 E HN 0.534 nan 8.360 nan 0.000 0.432 287 L N 2.402 123.644 121.223 0.033 0.000 2.043 287 L HA -0.272 4.065 4.340 -0.004 0.000 0.212 287 L C 2.226 179.176 176.870 0.134 0.000 1.075 287 L CA 2.508 57.421 54.840 0.121 0.000 0.752 287 L CB -0.938 41.187 42.059 0.110 0.000 0.891 287 L HN 0.716 nan 8.230 nan 0.000 0.432 288 S N -1.390 114.375 115.700 0.108 0.000 2.374 288 S HA -0.316 4.152 4.470 -0.004 0.000 0.227 288 S C 1.978 176.664 174.600 0.143 0.000 1.037 288 S CA 1.562 59.838 58.200 0.128 0.000 1.024 288 S CB -0.799 62.470 63.200 0.114 0.000 0.861 288 S HN 0.707 nan 8.310 nan 0.000 0.456 289 E N 0.952 121.230 120.200 0.130 0.000 2.072 289 E HA -0.022 4.326 4.350 -0.004 0.000 0.190 289 E C 2.035 178.758 176.600 0.205 0.000 0.982 289 E CA 1.088 57.579 56.400 0.152 0.000 0.803 289 E CB -0.232 29.539 29.700 0.119 0.000 0.755 289 E HN 0.679 nan 8.360 nan 0.000 0.453 290 I N 1.286 121.967 120.570 0.185 0.000 2.454 290 I HA -0.248 3.920 4.170 -0.004 0.000 0.254 290 I C 2.268 178.579 176.117 0.323 0.000 1.156 290 I CA 0.559 61.984 61.300 0.209 0.000 1.433 290 I CB -0.138 37.938 38.000 0.127 0.000 1.082 290 I HN 0.280 nan 8.210 nan 0.000 0.432 291 L N 0.107 121.513 121.223 0.305 0.000 2.265 291 L HA -0.181 4.157 4.340 -0.004 0.000 0.215 291 L C 2.457 179.502 176.870 0.291 0.000 1.117 291 L CA 1.077 56.137 54.840 0.367 0.000 0.782 291 L CB -0.358 41.857 42.059 0.260 0.000 0.914 291 L HN 0.157 nan 8.230 nan 0.000 0.441 292 V N 0.788 120.861 119.914 0.266 0.000 2.229 292 V HA -0.143 3.974 4.120 -0.004 0.000 0.243 292 V C -0.132 176.085 176.094 0.205 0.000 1.042 292 V CA 1.854 64.275 62.300 0.201 0.000 1.000 292 V CB -1.851 30.123 31.823 0.251 0.000 0.637 292 V HN 0.330 nan 8.190 nan 0.000 0.446 293 P HA -0.233 nan 4.420 nan 0.000 0.216 293 P C 1.823 179.386 177.300 0.437 0.000 1.150 293 P CA 1.792 65.175 63.100 0.472 0.000 0.837 293 P CB -0.219 31.928 31.700 0.744 0.000 0.786 294 F N 0.372 120.538 119.950 0.360 0.000 2.043 294 F HA -0.245 4.279 4.527 -0.004 0.000 0.297 294 F C 2.173 178.032 175.800 0.100 0.000 1.121 294 F CA 1.643 59.821 58.000 0.297 0.000 1.199 294 F CB -0.309 38.924 39.000 0.389 0.000 0.968 294 F HN -0.260 nan 8.300 nan 0.000 0.478 295 M N 0.092 119.521 119.600 -0.285 0.000 2.287 295 M HA -0.073 4.405 4.480 -0.004 0.000 0.266 295 M C 1.949 178.022 176.300 -0.379 0.000 1.079 295 M CA 1.050 56.039 55.300 -0.518 0.000 1.146 295 M CB -0.949 31.370 32.600 -0.469 0.000 1.374 295 M HN 0.064 nan 8.290 nan 0.000 0.435 296 K N 0.301 120.463 120.400 -0.396 0.000 2.063 296 K HA -0.098 4.219 4.320 -0.004 0.000 0.208 296 K C 1.585 177.733 176.600 -0.754 0.000 1.048 296 K CA 1.498 57.391 56.287 -0.657 0.000 0.928 296 K CB -0.389 31.508 32.500 -1.005 0.000 0.713 296 K HN 0.317 nan 8.250 nan 0.000 0.442 297 F N -0.196 119.645 119.950 -0.183 0.000 2.678 297 F HA 0.220 4.745 4.527 -0.004 0.000 0.305 297 F C 0.666 176.393 175.800 -0.122 0.000 1.090 297 F CA -0.370 57.534 58.000 -0.160 0.000 1.272 297 F CB 0.170 39.064 39.000 -0.176 0.000 1.060 297 F HN -0.203 nan 8.300 nan 0.000 0.576 298 S N 1.273 116.953 115.700 -0.034 0.000 3.886 298 S HA -0.289 4.179 4.470 -0.004 0.000 0.398 298 S C 0.030 174.673 174.600 0.071 0.000 0.931 298 S CA 0.139 58.304 58.200 -0.059 0.000 1.217 298 S CB -2.104 61.053 63.200 -0.071 0.000 0.874 298 S HN 0.610 nan 8.310 nan 0.000 0.521 299 N N 1.323 120.129 118.700 0.177 0.000 2.416 299 N HA 0.261 4.999 4.740 -0.004 0.000 0.265 299 N C 1.190 176.865 175.510 0.274 0.000 1.195 299 N CA -0.277 52.862 53.050 0.149 0.000 0.943 299 N CB 0.368 38.745 38.487 -0.183 0.000 1.115 299 N HN 0.380 nan 8.380 nan 0.000 0.481 300 N N 2.712 121.527 118.700 0.193 0.000 2.084 300 N HA -0.095 4.643 4.740 -0.004 0.000 0.190 300 N C 1.786 177.457 175.510 0.268 0.000 1.030 300 N CA 1.263 54.447 53.050 0.224 0.000 0.849 300 N CB -0.541 38.026 38.487 0.134 0.000 1.012 300 N HN 0.701 nan 8.380 nan 0.000 0.423 301 G N 0.344 109.279 108.800 0.224 0.000 2.440 301 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.218 301 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.218 301 G C 1.259 176.313 174.900 0.256 0.000 1.154 301 G CA 0.878 46.133 45.100 0.257 0.000 0.767 301 G HN 0.489 nan 8.290 nan 0.000 0.552 302 H N 0.571 119.674 119.070 0.054 0.000 2.319 302 H HA -0.083 4.471 4.556 -0.004 0.000 0.297 302 H C 3.045 178.158 175.328 -0.359 0.000 1.097 302 H CA 0.673 56.602 56.048 -0.197 0.000 1.285 302 H CB 0.036 29.594 29.762 -0.339 0.000 1.368 302 H HN 0.442 nan 8.280 nan 0.000 0.495 303 A N 1.399 124.166 122.820 -0.089 0.000 1.883 303 A HA -0.203 4.115 4.320 -0.004 0.000 0.217 303 A C 2.186 179.845 177.584 0.125 0.000 1.186 303 A CA 1.801 53.859 52.037 0.035 0.000 0.624 303 A CB -0.182 19.081 19.000 0.439 0.000 0.822 303 A HN 0.362 nan 8.150 nan 0.000 0.444 304 E N -0.374 119.968 120.200 0.236 0.000 2.152 304 E HA -0.095 4.252 4.350 -0.004 0.000 0.192 304 E C 2.055 178.637 176.600 -0.030 0.000 0.983 304 E CA 0.982 57.548 56.400 0.277 0.000 0.818 304 E CB -0.489 29.547 29.700 0.561 0.000 0.758 304 E HN 0.732 nan 8.360 nan 0.000 0.467 305 M N 0.316 119.916 119.600 0.001 0.000 2.159 305 M HA -0.117 4.361 4.480 -0.004 0.000 0.263 305 M C 2.347 178.579 176.300 -0.113 0.000 1.063 305 M CA 1.215 56.504 55.300 -0.018 0.000 1.110 305 M CB -0.318 32.323 32.600 0.068 0.000 1.374 305 M HN 0.060 nan 8.290 nan 0.000 0.411 306 L N -0.808 120.343 121.223 -0.121 0.000 2.056 306 L HA -0.166 4.172 4.340 -0.004 0.000 0.207 306 L C 2.449 179.273 176.870 -0.077 0.000 1.078 306 L CA 0.749 55.538 54.840 -0.085 0.000 0.749 306 L CB -0.733 41.263 42.059 -0.106 0.000 0.901 306 L HN 0.107 nan 8.230 nan 0.000 0.433 307 V N 0.230 120.098 119.914 -0.077 0.000 2.252 307 V HA -0.336 3.781 4.120 -0.004 0.000 0.249 307 V C 2.500 178.426 176.094 -0.279 0.000 1.056 307 V CA 1.951 64.199 62.300 -0.088 0.000 1.022 307 V CB -0.563 31.292 31.823 0.054 0.000 0.641 307 V HN 0.443 nan 8.190 nan 0.000 0.445 308 K N -0.172 119.881 120.400 -0.579 0.000 2.097 308 K HA -0.109 4.208 4.320 -0.004 0.000 0.205 308 K C 2.392 178.603 176.600 -0.648 0.000 1.050 308 K CA 1.538 57.256 56.287 -0.948 0.000 0.938 308 K CB -0.322 31.059 32.500 -1.865 0.000 0.718 308 K HN 0.358 nan 8.250 nan 0.000 0.442 309 S N 1.387 116.910 115.700 -0.294 0.000 2.400 309 S HA -0.100 4.368 4.470 -0.004 0.000 0.232 309 S C 1.924 176.546 174.600 0.036 0.000 1.025 309 S CA 1.014 59.307 58.200 0.155 0.000 0.993 309 S CB -0.185 63.220 63.200 0.342 0.000 0.808 309 S HN 0.210 nan 8.310 nan 0.000 0.478 310 I N 1.130 121.668 120.570 -0.054 0.000 2.252 310 I HA -0.109 4.059 4.170 -0.004 0.000 0.245 310 I C 2.658 178.729 176.117 -0.077 0.000 1.102 310 I CA 1.039 62.307 61.300 -0.054 0.000 1.385 310 I CB -0.733 37.242 38.000 -0.041 0.000 1.064 310 I HN 0.362 nan 8.210 nan 0.000 0.414 311 G N -0.159 108.562 108.800 -0.133 0.000 2.440 311 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.218 311 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.218 311 G C 1.587 176.392 174.900 -0.159 0.000 1.154 311 G CA 0.389 45.398 45.100 -0.151 0.000 0.767 311 G HN 0.274 nan 8.290 nan 0.000 0.552 312 Q N -0.050 119.634 119.800 -0.193 0.000 2.084 312 Q HA -0.110 4.228 4.340 -0.004 0.000 0.202 312 Q C 2.462 178.400 176.000 -0.104 0.000 0.978 312 Q CA 1.695 57.354 55.803 -0.241 0.000 0.844 312 Q CB -0.154 28.349 28.738 -0.391 0.000 0.898 312 Q HN 0.628 nan 8.270 nan 0.000 0.426 313 E N -0.004 120.182 120.200 -0.024 0.000 2.046 313 E HA -0.108 4.239 4.350 -0.004 0.000 0.190 313 E C 1.838 178.433 176.600 -0.008 0.000 0.982 313 E CA 1.968 58.378 56.400 0.016 0.000 0.800 313 E CB -0.151 29.556 29.700 0.012 0.000 0.756 313 E HN 0.384 nan 8.360 nan 0.000 0.449 314 T N -2.778 111.760 114.554 -0.027 0.000 3.023 314 T HA 0.209 4.557 4.350 -0.004 0.000 0.266 314 T C 1.401 176.083 174.700 -0.031 0.000 1.093 314 T CA 0.887 62.974 62.100 -0.022 0.000 1.129 314 T CB 0.270 69.125 68.868 -0.022 0.000 0.899 314 T HN 0.181 nan 8.240 nan 0.000 0.491 315 A N -0.281 122.507 122.820 -0.053 0.000 2.710 315 A HA 0.679 4.997 4.320 -0.004 0.000 0.212 315 A C 1.602 179.135 177.584 -0.084 0.000 1.358 315 A CA 0.432 52.433 52.037 -0.061 0.000 1.048 315 A CB -0.217 18.745 19.000 -0.065 0.000 1.345 315 A HN 1.301 nan 8.150 nan 0.000 0.583 316 G N -0.524 108.208 108.800 -0.114 0.000 2.221 316 G HA2 0.186 4.144 3.960 -0.004 0.000 0.265 316 G HA3 0.186 4.144 3.960 -0.004 0.000 0.265 316 G C 0.264 175.037 174.900 -0.212 0.000 1.041 316 G CA 0.500 45.499 45.100 -0.167 0.000 0.807 316 G HN 1.948 nan 8.290 nan 0.000 0.502 317 A N -0.234 122.457 122.820 -0.215 0.000 2.457 317 A HA 0.773 5.090 4.320 -0.004 0.000 0.283 317 A C 0.500 177.931 177.584 -0.255 0.000 1.166 317 A CA 0.449 52.364 52.037 -0.203 0.000 0.740 317 A CB 1.124 20.042 19.000 -0.137 0.000 1.181 317 A HN 1.704 nan 8.150 nan 0.000 0.446 318 G N 1.757 110.385 108.800 -0.287 0.000 2.985 318 G HA2 0.485 4.443 3.960 -0.004 0.000 0.282 318 G HA3 0.485 4.443 3.960 -0.004 0.000 0.282 318 G C -0.173 174.476 174.900 -0.419 0.000 0.791 318 G CA 0.220 45.104 45.100 -0.360 0.000 1.934 318 G HN 0.626 nan 8.290 nan 0.000 0.563 319 T N 0.579 114.879 114.554 -0.423 0.000 2.932 319 T HA 0.204 4.552 4.350 -0.004 0.000 0.318 319 T C 0.181 174.722 174.700 -0.264 0.000 1.265 319 T CA -0.628 61.290 62.100 -0.303 0.000 1.036 319 T CB 1.226 69.999 68.868 -0.158 0.000 1.209 319 T HN 0.386 nan 8.240 nan 0.000 0.484 320 W N 1.339 122.537 121.300 -0.169 0.000 2.388 320 W HA -0.048 4.610 4.660 -0.002 0.000 0.294 320 W C 1.485 177.938 176.519 -0.111 0.000 1.212 320 W CA 1.031 58.288 57.345 -0.146 0.000 1.271 320 W CB -0.341 29.031 29.460 -0.146 0.000 1.126 320 W HN 0.763 nan 8.180 nan 0.000 0.535 321 D N -0.100 120.368 120.400 0.114 0.000 2.104 321 D HA -0.150 4.488 4.640 -0.004 0.000 0.194 321 D C 2.266 178.571 176.300 0.009 0.000 0.994 321 D CA 2.191 56.218 54.000 0.044 0.000 0.830 321 D CB -0.820 39.991 40.800 0.017 0.000 0.959 321 D HN 0.007 nan 8.370 nan 0.000 0.452 322 A N 0.510 123.314 122.820 -0.027 0.000 1.872 322 A HA 0.049 4.366 4.320 -0.004 0.000 0.214 322 A C 2.374 179.929 177.584 -0.048 0.000 1.187 322 A CA 1.970 53.977 52.037 -0.050 0.000 0.614 322 A CB -1.047 17.900 19.000 -0.087 0.000 0.826 322 A HN 0.303 nan 8.150 nan 0.000 0.442 323 G N -0.719 108.041 108.800 -0.068 0.000 2.422 323 G HA2 -0.032 3.926 3.960 -0.004 0.000 0.218 323 G HA3 -0.032 3.926 3.960 -0.004 0.000 0.218 323 G C 1.340 176.244 174.900 0.007 0.000 1.140 323 G CA 0.976 46.040 45.100 -0.061 0.000 0.775 323 G HN 0.322 nan 8.290 nan 0.000 0.545 324 L N 0.576 121.826 121.223 0.045 0.000 2.109 324 L HA 0.097 4.435 4.340 -0.004 0.000 0.207 324 L C 3.061 179.948 176.870 0.029 0.000 1.086 324 L CA 0.727 55.603 54.840 0.059 0.000 0.760 324 L CB -0.732 41.370 42.059 0.071 0.000 0.910 324 L HN 0.096 nan 8.230 nan 0.000 0.437 325 V N -0.218 119.705 119.914 0.014 0.000 2.343 325 V HA -0.230 3.888 4.120 -0.004 0.000 0.247 325 V C 2.585 178.684 176.094 0.009 0.000 1.051 325 V CA 1.812 64.115 62.300 0.006 0.000 1.036 325 V CB -1.368 30.454 31.823 -0.002 0.000 0.654 325 V HN 0.559 nan 8.190 nan 0.000 0.451 326 G N -0.251 108.551 108.800 0.004 0.000 2.440 326 G HA2 -0.227 3.730 3.960 -0.004 0.000 0.218 326 G HA3 -0.227 3.730 3.960 -0.004 0.000 0.218 326 G C 1.673 176.587 174.900 0.023 0.000 1.154 326 G CA 1.291 46.394 45.100 0.005 0.000 0.767 326 G HN 0.377 nan 8.290 nan 0.000 0.552 327 V N 0.698 120.634 119.914 0.036 0.000 2.233 327 V HA -0.214 3.904 4.120 -0.004 0.000 0.247 327 V C 2.738 178.871 176.094 0.065 0.000 1.050 327 V CA 2.266 64.605 62.300 0.064 0.000 1.010 327 V CB -0.418 31.458 31.823 0.088 0.000 0.637 327 V HN 0.422 nan 8.190 nan 0.000 0.444 328 E N 0.081 120.306 120.200 0.042 0.000 2.049 328 E HA -0.254 4.094 4.350 -0.004 0.000 0.198 328 E C 2.263 178.887 176.600 0.039 0.000 1.007 328 E CA 1.715 58.134 56.400 0.032 0.000 0.809 328 E CB -0.160 29.545 29.700 0.009 0.000 0.749 328 E HN 0.624 nan 8.360 nan 0.000 0.450 329 E N 0.192 120.410 120.200 0.031 0.000 2.110 329 E HA -0.161 4.186 4.350 -0.004 0.000 0.193 329 E C 1.983 178.607 176.600 0.041 0.000 0.988 329 E CA 1.005 57.423 56.400 0.029 0.000 0.804 329 E CB -0.347 29.365 29.700 0.020 0.000 0.745 329 E HN 0.330 nan 8.360 nan 0.000 0.458 330 A N 1.296 124.145 122.820 0.049 0.000 1.902 330 A HA -0.121 4.197 4.320 -0.004 0.000 0.217 330 A C 2.393 180.027 177.584 0.083 0.000 1.181 330 A CA 0.999 53.074 52.037 0.063 0.000 0.623 330 A CB -0.672 18.363 19.000 0.058 0.000 0.818 330 A HN 0.154 nan 8.150 nan 0.000 0.443 331 L N -0.860 120.419 121.223 0.094 0.000 2.056 331 L HA -0.147 4.191 4.340 -0.004 0.000 0.207 331 L C 2.881 179.803 176.870 0.086 0.000 1.078 331 L CA 1.371 56.280 54.840 0.116 0.000 0.749 331 L CB -0.484 41.674 42.059 0.164 0.000 0.901 331 L HN 0.325 nan 8.230 nan 0.000 0.433 332 S N 0.012 115.751 115.700 0.065 0.000 2.359 332 S HA -0.154 4.313 4.470 -0.004 0.000 0.224 332 S C 1.994 176.618 174.600 0.040 0.000 1.035 332 S CA 1.415 59.644 58.200 0.047 0.000 1.018 332 S CB -0.561 62.660 63.200 0.034 0.000 0.876 332 S HN 0.611 nan 8.310 nan 0.000 0.448 333 G N 0.777 109.603 108.800 0.043 0.000 2.448 333 G HA2 -0.143 3.815 3.960 -0.004 0.000 0.219 333 G HA3 -0.143 3.815 3.960 -0.004 0.000 0.219 333 G C 1.252 176.174 174.900 0.037 0.000 1.127 333 G CA 0.530 45.653 45.100 0.037 0.000 0.766 333 G HN 0.427 nan 8.290 nan 0.000 0.552 334 L N 0.378 121.632 121.223 0.050 0.000 2.395 334 L HA 0.317 4.654 4.340 -0.004 0.000 0.218 334 L C 1.974 178.850 176.870 0.010 0.000 1.130 334 L CA 1.427 56.289 54.840 0.037 0.000 0.826 334 L CB -0.050 42.054 42.059 0.075 0.000 0.941 334 L HN 0.410 nan 8.230 nan 0.000 0.451 335 G N -1.543 107.270 108.800 0.022 0.000 2.148 335 G HA2 -0.183 3.775 3.960 -0.004 0.000 0.203 335 G HA3 -0.183 3.775 3.960 -0.004 0.000 0.203 335 G C 0.080 174.998 174.900 0.030 0.000 0.993 335 G CA 0.026 45.136 45.100 0.016 0.000 0.661 335 G HN 0.151 nan 8.290 nan 0.000 0.518 336 V N 1.188 121.132 119.914 0.049 0.000 2.546 336 V HA 0.477 4.594 4.120 -0.004 0.000 0.284 336 V C 0.294 176.427 176.094 0.066 0.000 1.050 336 V CA -0.453 61.891 62.300 0.073 0.000 0.981 336 V CB 1.793 33.688 31.823 0.120 0.000 0.990 336 V HN 0.319 nan 8.190 nan 0.000 0.474 337 D N 3.279 123.717 120.400 0.063 0.000 2.352 337 D HA 0.119 4.756 4.640 -0.004 0.000 0.245 337 D C 1.147 177.476 176.300 0.049 0.000 1.224 337 D CA -0.066 53.963 54.000 0.047 0.000 0.879 337 D CB 1.298 42.122 40.800 0.040 0.000 1.057 337 D HN 0.727 nan 8.370 nan 0.000 0.491 338 T N 0.786 115.360 114.554 0.033 0.000 3.188 338 T HA 0.279 4.627 4.350 -0.004 0.000 0.250 338 T C 1.705 176.398 174.700 -0.011 0.000 1.077 338 T CA 0.201 62.307 62.100 0.009 0.000 0.967 338 T CB 0.314 69.186 68.868 0.006 0.000 1.006 338 T HN 0.241 nan 8.240 nan 0.000 0.552 339 A N 2.048 124.868 122.820 0.000 0.000 1.892 339 A HA 0.147 4.465 4.320 -0.004 0.000 0.218 339 A C 2.530 180.105 177.584 -0.015 0.000 1.188 339 A CA 1.629 53.663 52.037 -0.005 0.000 0.631 339 A CB -1.458 17.544 19.000 0.003 0.000 0.822 339 A HN 0.622 nan 8.150 nan 0.000 0.447 340 G N -1.516 107.276 108.800 -0.013 0.000 2.744 340 G HA2 0.276 4.234 3.960 -0.004 0.000 0.211 340 G HA3 0.276 4.234 3.960 -0.004 0.000 0.211 340 G C 0.540 175.410 174.900 -0.051 0.000 1.143 340 G CA -0.205 44.884 45.100 -0.019 0.000 0.788 340 G HN 0.389 nan 8.290 nan 0.000 0.534 341 L N 1.516 122.688 121.223 -0.085 0.000 2.349 341 L HA 0.383 4.721 4.340 -0.004 0.000 0.275 341 L C -0.654 176.147 176.870 -0.116 0.000 1.115 341 L CA -0.362 54.383 54.840 -0.159 0.000 0.820 341 L CB 1.850 43.764 42.059 -0.242 0.000 1.135 341 L HN -0.174 nan 8.230 nan 0.000 0.445 342 V N 6.101 125.945 119.914 -0.117 0.000 2.376 342 V HA 0.321 4.438 4.120 -0.004 0.000 0.287 342 V C -0.029 176.011 176.094 -0.089 0.000 1.015 342 V CA -0.469 61.782 62.300 -0.081 0.000 0.834 342 V CB 1.739 33.531 31.823 -0.052 0.000 1.001 342 V HN 0.519 nan 8.190 nan 0.000 0.428 343 L N 4.411 125.588 121.223 -0.076 0.000 2.255 343 L HA 0.485 4.823 4.340 -0.004 0.000 0.289 343 L C 0.867 177.714 176.870 -0.039 0.000 1.046 343 L CA -0.111 54.695 54.840 -0.056 0.000 0.816 343 L CB 0.919 42.955 42.059 -0.039 0.000 1.197 343 L HN 0.577 nan 8.230 nan 0.000 0.427 344 N N 0.881 119.558 118.700 -0.039 0.000 2.257 344 N HA 0.019 4.756 4.740 -0.004 0.000 0.200 344 N C -0.611 174.816 175.510 -0.139 0.000 1.163 344 N CA 0.141 53.143 53.050 -0.080 0.000 0.891 344 N CB 0.733 39.180 38.487 -0.068 0.000 1.067 344 N HN 0.807 nan 8.380 nan 0.000 0.497 345 D N -3.396 116.983 120.400 -0.034 0.000 2.692 345 D HA 0.284 4.921 4.640 -0.004 0.000 0.303 345 D C 0.670 177.071 176.300 0.168 0.000 1.278 345 D CA -0.529 53.479 54.000 0.014 0.000 0.852 345 D CB 0.364 41.180 40.800 0.027 0.000 1.375 345 D HN -0.102 nan 8.370 nan 0.000 0.453 346 G N -1.084 107.889 108.800 0.287 0.000 2.662 346 G HA2 0.030 3.988 3.960 -0.004 0.000 0.212 346 G HA3 0.030 3.988 3.960 -0.004 0.000 0.212 346 G C 1.136 176.226 174.900 0.317 0.000 1.141 346 G CA 0.877 46.154 45.100 0.296 0.000 0.797 346 G HN 0.585 nan 8.290 nan 0.000 0.531 347 S N -0.712 115.184 115.700 0.327 0.000 2.421 347 S HA 0.349 4.816 4.470 -0.004 0.000 0.224 347 S C 1.961 176.667 174.600 0.176 0.000 1.035 347 S CA 1.282 59.652 58.200 0.283 0.000 0.953 347 S CB -0.054 63.313 63.200 0.278 0.000 0.810 347 S HN 1.438 nan 8.310 nan 0.000 0.497 348 G N 0.946 109.840 108.800 0.157 0.000 2.176 348 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.232 348 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.232 348 G C 0.538 175.441 174.900 0.006 0.000 0.986 348 G CA 0.288 45.437 45.100 0.081 0.000 0.643 348 G HN 0.455 nan 8.290 nan 0.000 0.522 349 L N 0.922 122.131 121.223 -0.023 0.000 2.079 349 L HA 0.069 4.407 4.340 -0.004 0.000 0.210 349 L C 1.958 178.753 176.870 -0.125 0.000 1.081 349 L CA 1.735 56.440 54.840 -0.225 0.000 0.752 349 L CB -0.346 41.320 42.059 -0.655 0.000 0.896 349 L HN 0.465 nan 8.230 nan 0.000 0.433 350 S N -0.203 115.586 115.700 0.149 0.000 2.531 350 S HA 0.050 4.518 4.470 -0.004 0.000 0.279 350 S C 1.021 175.659 174.600 0.064 0.000 1.305 350 S CA -0.375 57.956 58.200 0.218 0.000 1.058 350 S CB 0.659 64.004 63.200 0.242 0.000 0.899 350 S HN 0.270 nan 8.310 nan 0.000 0.493 351 R N 3.246 123.777 120.500 0.052 0.000 2.325 351 R HA 0.111 4.449 4.340 -0.004 0.000 0.214 351 R C 1.651 177.980 176.300 0.048 0.000 0.961 351 R CA 0.466 56.581 56.100 0.026 0.000 1.086 351 R CB -0.173 30.147 30.300 0.033 0.000 1.037 351 R HN 0.746 nan 8.270 nan 0.000 0.493 352 G N -0.065 108.765 108.800 0.049 0.000 3.088 352 G HA2 -0.027 3.931 3.960 -0.004 0.000 0.217 352 G HA3 -0.027 3.931 3.960 -0.004 0.000 0.217 352 G C 0.205 175.107 174.900 0.002 0.000 1.159 352 G CA -0.332 44.782 45.100 0.024 0.000 0.760 352 G HN 0.130 nan 8.290 nan 0.000 0.550 353 N N 0.693 119.396 118.700 0.005 0.000 2.499 353 N HA 0.466 5.204 4.740 -0.004 0.000 0.281 353 N C -0.798 174.699 175.510 -0.020 0.000 1.098 353 N CA 0.085 53.128 53.050 -0.013 0.000 0.979 353 N CB 2.042 40.531 38.487 0.003 0.000 1.121 353 N HN 0.018 nan 8.380 nan 0.000 0.466 354 L N 1.359 122.556 121.223 -0.044 0.000 2.386 354 L HA 0.582 4.920 4.340 -0.004 0.000 0.271 354 L C 0.143 176.966 176.870 -0.077 0.000 0.993 354 L CA -1.027 53.788 54.840 -0.040 0.000 0.819 354 L CB 1.915 43.956 42.059 -0.030 0.000 1.294 354 L HN 0.241 nan 8.230 nan 0.000 0.414 355 V N -0.918 118.972 119.914 -0.041 0.000 3.181 355 V HA 0.915 5.033 4.120 -0.004 0.000 0.314 355 V C -0.196 175.908 176.094 0.017 0.000 1.173 355 V CA -0.531 61.746 62.300 -0.038 0.000 1.052 355 V CB 2.012 33.869 31.823 0.057 0.000 1.123 355 V HN 0.828 nan 8.190 nan 0.000 0.454 356 T N -2.214 112.370 114.554 0.050 0.000 2.893 356 T HA 0.745 5.092 4.350 -0.004 0.000 0.291 356 T C 0.848 175.607 174.700 0.097 0.000 1.028 356 T CA -0.053 62.084 62.100 0.062 0.000 0.995 356 T CB 1.679 70.574 68.868 0.045 0.000 1.051 356 T HN 1.661 nan 8.240 nan 0.000 0.470 357 A N 1.346 124.215 122.820 0.083 0.000 2.019 357 A HA -0.040 4.278 4.320 -0.004 0.000 0.219 357 A C 1.928 179.560 177.584 0.081 0.000 1.164 357 A CA 1.561 53.648 52.037 0.084 0.000 0.644 357 A CB -0.870 18.178 19.000 0.081 0.000 0.805 357 A HN 0.908 nan 8.150 nan 0.000 0.449 358 D N -0.497 119.948 120.400 0.075 0.000 2.117 358 D HA -0.085 4.553 4.640 -0.004 0.000 0.198 358 D C 2.044 178.397 176.300 0.087 0.000 0.982 358 D CA 1.857 55.898 54.000 0.068 0.000 0.828 358 D CB -0.395 40.436 40.800 0.053 0.000 0.967 358 D HN 0.425 nan 8.370 nan 0.000 0.464 359 T N 0.649 115.273 114.554 0.118 0.000 2.746 359 T HA -0.106 4.242 4.350 -0.004 0.000 0.267 359 T C 2.288 177.134 174.700 0.244 0.000 1.039 359 T CA 0.837 63.047 62.100 0.183 0.000 1.142 359 T CB -0.442 68.543 68.868 0.196 0.000 0.866 359 T HN -0.035 nan 8.240 nan 0.000 0.444 360 V N 1.380 121.433 119.914 0.231 0.000 2.255 360 V HA -0.176 3.941 4.120 -0.004 0.000 0.247 360 V C 2.736 178.813 176.094 -0.030 0.000 1.051 360 V CA 1.492 63.846 62.300 0.090 0.000 1.018 360 V CB -0.848 31.004 31.823 0.049 0.000 0.641 360 V HN 0.324 nan 8.190 nan 0.000 0.445 361 V N 0.314 120.225 119.914 -0.005 0.000 2.332 361 V HA -0.297 3.820 4.120 -0.004 0.000 0.248 361 V C 2.421 178.522 176.094 0.013 0.000 1.055 361 V CA 2.294 64.581 62.300 -0.021 0.000 1.038 361 V CB -0.785 31.046 31.823 0.013 0.000 0.651 361 V HN 0.618 nan 8.190 nan 0.000 0.450 362 D N 0.276 120.703 120.400 0.045 0.000 2.127 362 D HA -0.229 4.409 4.640 -0.004 0.000 0.190 362 D C 2.049 178.374 176.300 0.041 0.000 1.000 362 D CA 2.028 56.060 54.000 0.053 0.000 0.839 362 D CB -0.316 40.530 40.800 0.077 0.000 0.955 362 D HN 0.321 nan 8.370 nan 0.000 0.446 363 L N 0.347 121.592 121.223 0.037 0.000 2.042 363 L HA -0.128 4.210 4.340 -0.004 0.000 0.210 363 L C 2.403 179.271 176.870 -0.003 0.000 1.076 363 L CA 1.503 56.335 54.840 -0.013 0.000 0.749 363 L CB -0.625 41.354 42.059 -0.133 0.000 0.893 363 L HN 0.167 nan 8.230 nan 0.000 0.432 364 L N -0.733 120.503 121.223 0.021 0.000 2.083 364 L HA -0.106 4.232 4.340 -0.004 0.000 0.209 364 L C 2.536 179.552 176.870 0.244 0.000 1.083 364 L CA 1.209 56.120 54.840 0.119 0.000 0.752 364 L CB -1.335 40.601 42.059 -0.205 0.000 0.899 364 L HN 0.478 nan 8.230 nan 0.000 0.433 365 G N -1.083 107.793 108.800 0.126 0.000 2.421 365 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.216 365 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.216 365 G C 1.502 176.426 174.900 0.039 0.000 1.171 365 G CA 0.210 45.378 45.100 0.113 0.000 0.775 365 G HN 0.237 nan 8.290 nan 0.000 0.543 366 Q N 0.535 120.329 119.800 -0.009 0.000 2.167 366 Q HA 0.063 4.400 4.340 -0.004 0.000 0.202 366 Q C 2.854 178.724 176.000 -0.216 0.000 0.970 366 Q CA 1.298 57.049 55.803 -0.086 0.000 0.855 366 Q CB -0.695 28.008 28.738 -0.058 0.000 0.911 366 Q HN 0.460 nan 8.270 nan 0.000 0.438 367 A N 0.372 123.055 122.820 -0.229 0.000 2.014 367 A HA 0.009 4.326 4.320 -0.004 0.000 0.218 367 A C 2.266 179.610 177.584 -0.400 0.000 1.163 367 A CA 1.410 53.133 52.037 -0.523 0.000 0.652 367 A CB -0.768 17.743 19.000 -0.815 0.000 0.808 367 A HN 0.421 nan 8.150 nan 0.000 0.449 368 G N -0.273 108.473 108.800 -0.089 0.000 2.471 368 G HA2 -0.051 3.907 3.960 -0.004 0.000 0.219 368 G HA3 -0.051 3.907 3.960 -0.004 0.000 0.219 368 G C 1.472 176.282 174.900 -0.149 0.000 1.125 368 G CA 1.502 46.564 45.100 -0.063 0.000 0.775 368 G HN 0.912 nan 8.290 nan 0.000 0.548 369 S N -0.901 114.672 115.700 -0.211 0.000 2.629 369 S HA 0.666 5.134 4.470 -0.004 0.000 0.236 369 S C 0.998 175.398 174.600 -0.334 0.000 1.010 369 S CA 0.339 58.412 58.200 -0.212 0.000 0.981 369 S CB 0.512 63.630 63.200 -0.136 0.000 0.919 369 S HN 0.508 nan 8.310 nan 0.000 0.514 370 A N 2.891 125.365 122.820 -0.578 0.000 2.466 370 A HA 0.486 4.803 4.320 -0.004 0.000 0.238 370 A C -1.035 176.121 177.584 -0.712 0.000 1.074 370 A CA -1.038 50.454 52.037 -0.909 0.000 0.774 370 A CB -0.246 17.527 19.000 -2.046 0.000 1.015 370 A HN 0.273 nan 8.150 nan 0.000 0.498 371 P HA -0.122 nan 4.420 nan 0.000 0.219 371 P C 0.882 178.096 177.300 -0.142 0.000 1.146 371 P CA 1.478 64.417 63.100 -0.268 0.000 0.808 371 P CB 0.011 31.631 31.700 -0.133 0.000 0.779 372 W N -2.386 118.914 121.300 -0.000 0.000 3.330 372 W HA 0.599 5.257 4.660 -0.004 0.000 0.348 372 W C 1.155 177.724 176.519 0.084 0.000 1.205 372 W CA 0.073 57.443 57.345 0.042 0.000 1.841 372 W CB -1.237 28.254 29.460 0.051 0.000 1.084 372 W HN -0.120 nan 8.180 nan 0.000 0.665 373 A N 1.795 124.663 122.820 0.079 0.000 1.997 373 A HA -0.287 4.030 4.320 -0.004 0.000 0.221 373 A C 2.209 179.970 177.584 0.295 0.000 1.172 373 A CA 1.893 54.019 52.037 0.148 0.000 0.645 373 A CB -0.429 18.533 19.000 -0.064 0.000 0.813 373 A HN 0.256 nan 8.150 nan 0.000 0.454 374 Q N -1.311 118.615 119.800 0.210 0.000 2.163 374 Q HA -0.076 4.261 4.340 -0.004 0.000 0.198 374 Q C 2.331 178.449 176.000 0.196 0.000 0.954 374 Q CA 1.815 57.713 55.803 0.158 0.000 0.851 374 Q CB -1.217 27.580 28.738 0.097 0.000 0.928 374 Q HN 0.774 nan 8.270 nan 0.000 0.459 375 T N 0.495 115.202 114.554 0.255 0.000 2.777 375 T HA -0.161 4.186 4.350 -0.004 0.000 0.266 375 T C 1.442 176.314 174.700 0.286 0.000 1.040 375 T CA 1.213 63.457 62.100 0.240 0.000 1.141 375 T CB -0.327 68.675 68.868 0.224 0.000 0.868 375 T HN 0.530 nan 8.240 nan 0.000 0.444 376 W N 1.421 122.842 121.300 0.202 0.000 2.317 376 W HA -0.209 4.448 4.660 -0.004 0.000 0.318 376 W C 2.528 179.124 176.519 0.128 0.000 1.227 376 W CA 1.973 59.432 57.345 0.191 0.000 1.269 376 W CB -0.995 28.716 29.460 0.418 0.000 1.155 376 W HN 0.444 nan 8.180 nan 0.000 0.484 377 S N 1.015 116.784 115.700 0.114 0.000 2.368 377 S HA -0.151 4.317 4.470 -0.004 0.000 0.225 377 S C 2.103 176.650 174.600 -0.088 0.000 1.030 377 S CA 2.063 60.211 58.200 -0.087 0.000 0.999 377 S CB -0.752 62.444 63.200 -0.007 0.000 0.844 377 S HN 0.317 nan 8.310 nan 0.000 0.459 378 A N 1.013 123.829 122.820 -0.006 0.000 2.067 378 A HA 0.010 4.327 4.320 -0.004 0.000 0.219 378 A C 2.371 179.935 177.584 -0.033 0.000 1.158 378 A CA 1.808 53.843 52.037 -0.002 0.000 0.661 378 A CB -0.925 18.103 19.000 0.047 0.000 0.801 378 A HN 0.825 nan 8.150 nan 0.000 0.452 379 S N -0.529 115.130 115.700 -0.067 0.000 2.461 379 S HA 0.161 4.629 4.470 -0.004 0.000 0.228 379 S C 0.721 175.198 174.600 -0.205 0.000 1.005 379 S CA -0.148 57.992 58.200 -0.099 0.000 0.942 379 S CB -0.612 62.545 63.200 -0.073 0.000 0.776 379 S HN 0.390 nan 8.310 nan 0.000 0.514 380 L N 2.439 123.508 121.223 -0.256 0.000 2.426 380 L HA 0.334 4.671 4.340 -0.004 0.000 0.271 380 L C -2.380 174.360 176.870 -0.216 0.000 1.169 380 L CA -2.177 52.496 54.840 -0.279 0.000 0.836 380 L CB -0.103 41.787 42.059 -0.281 0.000 1.112 380 L HN 0.034 nan 8.230 nan 0.000 0.465 381 P HA -0.034 nan 4.420 nan 0.000 0.265 381 P C -0.821 176.405 177.300 -0.124 0.000 1.187 381 P CA 0.045 63.029 63.100 -0.193 0.000 0.766 381 P CB 0.478 32.064 31.700 -0.189 0.000 0.820 382 V N 3.136 122.991 119.914 -0.099 0.000 2.347 382 V HA 0.432 4.549 4.120 -0.004 0.000 0.280 382 V C 0.584 176.648 176.094 -0.051 0.000 1.021 382 V CA -1.102 61.161 62.300 -0.061 0.000 0.847 382 V CB 0.830 32.624 31.823 -0.047 0.000 0.990 382 V HN 0.692 nan 8.190 nan 0.000 0.444 383 A N 4.084 126.882 122.820 -0.038 0.000 2.591 383 A HA 0.408 4.726 4.320 -0.004 0.000 0.244 383 A C 1.629 179.192 177.584 -0.035 0.000 1.031 383 A CA 0.917 52.933 52.037 -0.034 0.000 0.767 383 A CB -0.701 18.283 19.000 -0.026 0.000 0.942 383 A HN 2.307 nan 8.150 nan 0.000 0.514 384 G N 1.629 110.411 108.800 -0.031 0.000 2.155 384 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.257 384 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.257 384 G C 0.021 174.910 174.900 -0.018 0.000 0.983 384 G CA 0.451 45.537 45.100 -0.024 0.000 0.676 384 G HN 0.865 nan 8.290 nan 0.000 0.528 385 E N 0.737 120.926 120.200 -0.019 0.000 2.180 385 E HA 0.405 4.752 4.350 -0.004 0.000 0.283 385 E C 1.320 177.923 176.600 0.005 0.000 1.061 385 E CA 0.201 56.596 56.400 -0.008 0.000 0.861 385 E CB 1.232 30.926 29.700 -0.011 0.000 1.056 385 E HN 0.127 nan 8.360 nan 0.000 0.407 386 S N 2.215 117.924 115.700 0.015 0.000 2.372 386 S HA -0.193 4.275 4.470 -0.004 0.000 0.227 386 S C 0.771 175.401 174.600 0.050 0.000 1.044 386 S CA 1.226 59.442 58.200 0.027 0.000 1.050 386 S CB -0.053 63.162 63.200 0.026 0.000 0.901 386 S HN 0.533 nan 8.310 nan 0.000 0.447 387 D N 1.037 121.473 120.400 0.059 0.000 2.382 387 D HA 0.093 4.730 4.640 -0.004 0.000 0.259 387 D C -1.752 174.626 176.300 0.131 0.000 1.224 387 D CA -1.920 52.142 54.000 0.102 0.000 0.894 387 D CB 1.182 42.040 40.800 0.096 0.000 1.127 387 D HN 0.053 nan 8.370 nan 0.000 0.487 388 P HA -0.117 nan 4.420 nan 0.000 0.216 388 P C 1.051 178.436 177.300 0.142 0.000 1.150 388 P CA 0.924 64.166 63.100 0.238 0.000 0.837 388 P CB -0.004 31.908 31.700 0.355 0.000 0.786 389 F N -1.695 118.350 119.950 0.159 0.000 2.771 389 F HA -0.064 4.461 4.527 -0.003 0.000 0.299 389 F C 1.902 177.666 175.800 -0.060 0.000 1.177 389 F CA 0.683 58.714 58.000 0.052 0.000 1.450 389 F CB -0.469 38.612 39.000 0.136 0.000 1.114 389 F HN -0.213 nan 8.300 nan 0.000 0.587 390 V N -1.633 118.325 119.914 0.073 0.000 2.735 390 V HA 0.150 4.268 4.120 -0.004 0.000 0.234 390 V C 2.497 178.546 176.094 -0.075 0.000 1.121 390 V CA 1.225 63.527 62.300 0.004 0.000 1.160 390 V CB -1.096 30.747 31.823 0.034 0.000 0.908 390 V HN 0.205 nan 8.190 nan 0.000 0.495 391 G N -0.433 108.333 108.800 -0.058 0.000 2.408 391 G HA2 0.234 4.192 3.960 -0.004 0.000 0.217 391 G HA3 0.234 4.192 3.960 -0.004 0.000 0.217 391 G C 1.159 175.967 174.900 -0.154 0.000 1.150 391 G CA 1.386 46.438 45.100 -0.080 0.000 0.776 391 G HN 1.016 nan 8.290 nan 0.000 0.542 392 G N -0.315 108.341 108.800 -0.240 0.000 2.574 392 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.286 392 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.286 392 G C 1.378 176.165 174.900 -0.187 0.000 1.212 392 G CA 1.994 46.833 45.100 -0.434 0.000 0.979 392 G HN 1.284 nan 8.290 nan 0.000 0.557 393 T N -0.409 114.036 114.554 -0.182 0.000 3.155 393 T HA 0.307 4.655 4.350 -0.004 0.000 0.264 393 T C 1.906 176.562 174.700 -0.073 0.000 1.160 393 T CA 1.641 63.691 62.100 -0.084 0.000 1.075 393 T CB -0.059 68.757 68.868 -0.087 0.000 0.921 393 T HN 0.577 nan 8.240 nan 0.000 0.533 394 L N -0.195 120.977 121.223 -0.086 0.000 2.857 394 L HA 0.505 4.842 4.340 -0.004 0.000 0.249 394 L C 2.544 179.386 176.870 -0.046 0.000 1.172 394 L CA 0.030 54.834 54.840 -0.061 0.000 0.980 394 L CB -0.228 41.793 42.059 -0.062 0.000 1.299 394 L HN 0.284 nan 8.230 nan 0.000 0.535 395 A N 0.397 123.194 122.820 -0.039 0.000 1.972 395 A HA -0.112 4.205 4.320 -0.004 0.000 0.219 395 A C 1.507 179.085 177.584 -0.011 0.000 1.169 395 A CA 1.331 53.356 52.037 -0.019 0.000 0.635 395 A CB -0.197 18.805 19.000 0.003 0.000 0.810 395 A HN 0.461 nan 8.150 nan 0.000 0.446 396 N N -0.169 118.524 118.700 -0.013 0.000 2.328 396 N HA 0.165 4.902 4.740 -0.004 0.000 0.247 396 N C -0.682 174.816 175.510 -0.019 0.000 1.165 396 N CA 0.034 53.077 53.050 -0.012 0.000 0.873 396 N CB 0.639 39.122 38.487 -0.007 0.000 1.125 396 N HN 0.409 nan 8.380 nan 0.000 0.513 397 R N 0.083 120.569 120.500 -0.025 0.000 2.621 397 R HA 0.431 4.769 4.340 -0.004 0.000 0.292 397 R C 0.461 176.743 176.300 -0.030 0.000 0.969 397 R CA -0.503 55.579 56.100 -0.029 0.000 0.887 397 R CB 1.730 32.011 30.300 -0.033 0.000 1.180 397 R HN 0.041 nan 8.270 nan 0.000 0.450 398 M N 0.210 119.792 119.600 -0.031 0.000 2.939 398 M HA -0.249 4.229 4.480 -0.004 0.000 0.202 398 M C -0.428 175.855 176.300 -0.029 0.000 0.592 398 M CA 1.008 56.288 55.300 -0.034 0.000 0.749 398 M CB -1.088 31.488 32.600 -0.039 0.000 2.692 398 M HN 0.569 nan 8.290 nan 0.000 0.382 399 R N 0.924 121.410 120.500 -0.024 0.000 2.570 399 R HA 0.294 4.632 4.340 -0.004 0.000 0.277 399 R C 1.385 177.674 176.300 -0.017 0.000 1.039 399 R CA 1.067 57.156 56.100 -0.019 0.000 1.065 399 R CB 0.205 30.497 30.300 -0.014 0.000 0.964 399 R HN 0.519 nan 8.270 nan 0.000 0.428 400 G N 1.773 110.565 108.800 -0.015 0.000 2.198 400 G HA2 -0.302 3.656 3.960 -0.004 0.000 0.260 400 G HA3 -0.302 3.656 3.960 -0.004 0.000 0.260 400 G C 0.186 175.079 174.900 -0.013 0.000 1.025 400 G CA 0.751 45.844 45.100 -0.011 0.000 0.769 400 G HN 0.761 nan 8.290 nan 0.000 0.507 401 T N -4.530 110.013 114.554 -0.018 0.000 2.910 401 T HA 0.811 5.158 4.350 -0.004 0.000 0.287 401 T C 1.459 176.150 174.700 -0.016 0.000 1.050 401 T CA 0.285 62.374 62.100 -0.018 0.000 1.011 401 T CB 1.741 70.592 68.868 -0.027 0.000 1.195 401 T HN 1.353 nan 8.240 nan 0.000 0.540 402 A N 0.077 122.895 122.820 -0.005 0.000 2.172 402 A HA 0.344 4.662 4.320 -0.004 0.000 0.216 402 A C 2.345 179.907 177.584 -0.035 0.000 1.154 402 A CA 1.450 53.497 52.037 0.016 0.000 0.701 402 A CB -1.322 17.715 19.000 0.061 0.000 0.789 402 A HN 1.215 nan 8.150 nan 0.000 0.465 403 A N -0.224 122.567 122.820 -0.048 0.000 2.016 403 A HA 0.061 4.379 4.320 -0.004 0.000 0.217 403 A C 1.107 178.642 177.584 -0.082 0.000 1.162 403 A CA 0.595 52.590 52.037 -0.070 0.000 0.662 403 A CB -0.323 18.643 19.000 -0.056 0.000 0.812 403 A HN 0.614 nan 8.150 nan 0.000 0.450 404 E N -0.200 119.962 120.200 -0.064 0.000 2.493 404 E HA 0.268 4.615 4.350 -0.004 0.000 0.255 404 E C 1.132 177.688 176.600 -0.074 0.000 0.999 404 E CA 0.595 56.961 56.400 -0.055 0.000 0.934 404 E CB -0.200 29.479 29.700 -0.036 0.000 0.940 404 E HN 0.714 nan 8.360 nan 0.000 0.473 405 G N 2.554 111.316 108.800 -0.063 0.000 2.205 405 G HA2 -0.305 3.653 3.960 -0.004 0.000 0.261 405 G HA3 -0.305 3.653 3.960 -0.004 0.000 0.261 405 G C 0.646 175.492 174.900 -0.090 0.000 0.980 405 G CA 0.388 45.450 45.100 -0.063 0.000 0.632 405 G HN 0.495 nan 8.290 nan 0.000 0.533 406 V N -0.325 119.510 119.914 -0.131 0.000 2.854 406 V HA 0.268 4.386 4.120 -0.004 0.000 0.236 406 V C 1.650 177.712 176.094 -0.053 0.000 1.157 406 V CA 0.738 62.937 62.300 -0.170 0.000 1.187 406 V CB 0.180 31.738 31.823 -0.442 0.000 0.949 406 V HN 0.238 nan 8.190 nan 0.000 0.488 407 V N 2.794 122.692 119.914 -0.026 0.000 2.446 407 V HA 0.120 4.238 4.120 -0.004 0.000 0.276 407 V C 0.032 176.159 176.094 0.055 0.000 1.030 407 V CA 0.186 62.525 62.300 0.065 0.000 1.033 407 V CB -0.118 31.751 31.823 0.076 0.000 0.993 407 V HN 0.532 nan 8.190 nan 0.000 0.477 408 E N 4.047 124.299 120.200 0.086 0.000 2.109 408 E HA 0.730 5.078 4.350 -0.004 0.000 0.278 408 E C -0.233 176.367 176.600 -0.000 0.000 0.954 408 E CA -0.329 56.091 56.400 0.033 0.000 0.779 408 E CB 1.779 31.514 29.700 0.057 0.000 1.093 408 E HN 0.818 nan 8.360 nan 0.000 0.401 409 A N 3.111 125.884 122.820 -0.079 0.000 2.547 409 A HA 0.493 4.811 4.320 -0.004 0.000 0.297 409 A C -1.257 176.215 177.584 -0.187 0.000 1.056 409 A CA -0.894 51.052 52.037 -0.152 0.000 0.688 409 A CB 1.500 20.495 19.000 -0.009 0.000 1.282 409 A HN 0.398 nan 8.150 nan 0.000 0.400 410 K N 1.215 121.465 120.400 -0.249 0.000 2.201 410 K HA 0.631 4.948 4.320 -0.004 0.000 0.278 410 K C 0.581 177.085 176.600 -0.159 0.000 1.027 410 K CA 0.430 56.582 56.287 -0.226 0.000 0.909 410 K CB 0.810 33.149 32.500 -0.268 0.000 1.062 410 K HN 0.893 nan 8.250 nan 0.000 0.465 411 T N -0.150 114.324 114.554 -0.133 0.000 2.880 411 T HA 0.799 5.147 4.350 -0.004 0.000 0.279 411 T C 0.189 174.837 174.700 -0.087 0.000 0.990 411 T CA -0.593 61.451 62.100 -0.093 0.000 0.938 411 T CB 1.408 70.224 68.868 -0.086 0.000 1.206 411 T HN 0.626 nan 8.240 nan 0.000 0.573 412 G N 0.382 109.139 108.800 -0.070 0.000 2.213 412 G HA2 0.433 4.391 3.960 -0.004 0.000 0.249 412 G HA3 0.433 4.391 3.960 -0.004 0.000 0.249 412 G C -0.834 174.029 174.900 -0.061 0.000 2.618 412 G CA -0.760 44.299 45.100 -0.067 0.000 0.788 412 G HN 0.806 nan 8.290 nan 0.000 0.498 413 T N 3.133 117.636 114.554 -0.085 0.000 2.824 413 T HA 0.785 5.133 4.350 -0.004 0.000 0.282 413 T C 0.320 174.942 174.700 -0.130 0.000 0.993 413 T CA -0.263 61.790 62.100 -0.078 0.000 0.967 413 T CB 1.553 70.379 68.868 -0.070 0.000 0.960 413 T HN 0.486 nan 8.240 nan 0.000 0.441 414 M N 0.589 120.120 119.600 -0.115 0.000 2.745 414 M HA 0.438 4.916 4.480 -0.004 0.000 0.290 414 M C 0.037 176.260 176.300 -0.129 0.000 1.262 414 M CA -0.996 54.198 55.300 -0.177 0.000 0.795 414 M CB 1.976 34.443 32.600 -0.222 0.000 1.758 414 M HN 0.378 nan 8.290 nan 0.000 0.461 415 S N 0.966 116.567 115.700 -0.165 0.000 2.546 415 S HA 0.243 4.711 4.470 -0.004 0.000 0.290 415 S C 0.887 175.386 174.600 -0.167 0.000 1.262 415 S CA 1.133 59.252 58.200 -0.135 0.000 1.083 415 S CB -0.125 63.003 63.200 -0.120 0.000 0.859 415 S HN 1.024 nan 8.310 nan 0.000 0.495 416 G N 2.088 110.732 108.800 -0.260 0.000 2.168 416 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.263 416 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.263 416 G C -0.008 174.674 174.900 -0.363 0.000 0.977 416 G CA 0.242 45.042 45.100 -0.499 0.000 0.659 416 G HN 0.853 nan 8.290 nan 0.000 0.533 417 V N -0.338 119.535 119.914 -0.068 0.000 2.668 417 V HA 0.824 4.942 4.120 -0.004 0.000 0.304 417 V C -0.127 176.058 176.094 0.152 0.000 1.071 417 V CA -0.089 62.262 62.300 0.085 0.000 0.894 417 V CB 1.880 33.694 31.823 -0.016 0.000 1.008 417 V HN 0.664 nan 8.190 nan 0.000 0.425 418 S N 2.466 118.263 115.700 0.162 0.000 2.564 418 S HA 0.958 5.426 4.470 -0.004 0.000 0.274 418 S C -0.953 173.657 174.600 0.017 0.000 1.124 418 S CA 0.243 58.468 58.200 0.041 0.000 0.869 418 S CB 1.974 65.156 63.200 -0.030 0.000 1.105 418 S HN 1.586 nan 8.310 nan 0.000 0.472 419 A N 2.155 124.973 122.820 -0.003 0.000 2.574 419 A HA 0.828 5.146 4.320 -0.004 0.000 0.297 419 A C -2.063 175.519 177.584 -0.004 0.000 1.062 419 A CA -0.524 51.516 52.037 0.004 0.000 0.686 419 A CB 1.648 20.652 19.000 0.007 0.000 1.285 419 A HN 0.991 nan 8.150 nan 0.000 0.403 420 L N 1.188 122.429 121.223 0.029 0.000 2.482 420 L HA 0.785 5.123 4.340 -0.004 0.000 0.269 420 L C -0.894 175.963 176.870 -0.023 0.000 0.967 420 L CA 0.320 55.193 54.840 0.055 0.000 0.851 420 L CB 2.054 44.217 42.059 0.174 0.000 1.242 420 L HN 0.663 nan 8.230 nan 0.000 0.404 421 S N 2.711 118.227 115.700 -0.307 0.000 2.548 421 S HA 1.005 5.473 4.470 -0.004 0.000 0.276 421 S C -0.205 173.883 174.600 -0.853 0.000 1.129 421 S CA -0.092 57.676 58.200 -0.721 0.000 0.931 421 S CB 1.830 64.783 63.200 -0.410 0.000 1.068 421 S HN 1.127 nan 8.310 nan 0.000 0.480 422 G N 1.259 109.275 108.800 -1.306 0.000 2.498 422 G HA2 0.438 4.395 3.960 -0.004 0.000 0.181 422 G HA3 0.438 4.395 3.960 -0.004 0.000 0.181 422 G C -2.404 171.995 174.900 -0.834 0.000 1.169 422 G CA -0.536 44.023 45.100 -0.902 0.000 0.992 422 G HN 0.491 nan 8.290 nan 0.000 0.490 423 Y N -0.731 119.519 120.300 -0.083 0.000 2.485 423 Y HA 0.637 5.185 4.550 -0.003 0.000 0.345 423 Y C -0.033 175.978 175.900 0.185 0.000 0.998 423 Y CA -0.880 57.266 58.100 0.077 0.000 1.059 423 Y CB 2.728 41.219 38.460 0.051 0.000 1.234 423 Y HN 0.291 nan 8.280 nan 0.000 0.461 424 V N 4.126 124.260 119.914 0.368 0.000 2.340 424 V HA 0.378 4.496 4.120 -0.004 0.000 0.277 424 V C -2.583 173.658 176.094 0.244 0.000 1.017 424 V CA -2.066 60.396 62.300 0.270 0.000 0.820 424 V CB 0.909 32.873 31.823 0.234 0.000 1.028 424 V HN 0.531 nan 8.190 nan 0.000 0.436 425 P HA 0.707 nan 4.420 nan 0.000 0.276 425 P C 0.220 177.708 177.300 0.313 0.000 1.252 425 P CA 0.038 63.260 63.100 0.202 0.000 0.802 425 P CB 1.482 33.270 31.700 0.147 0.000 1.035 426 G N -0.083 108.831 108.800 0.190 0.000 2.316 426 G HA2 0.246 4.204 3.960 -0.004 0.000 0.296 426 G HA3 0.246 4.204 3.960 -0.004 0.000 0.296 426 G C -2.658 172.198 174.900 -0.073 0.000 1.399 426 G CA -0.760 44.354 45.100 0.023 0.000 0.833 426 G HN 0.103 nan 8.290 nan 0.000 0.565 427 P HA -0.064 nan 4.420 nan 0.000 0.217 427 P C 0.406 177.647 177.300 -0.098 0.000 1.151 427 P CA 1.207 64.232 63.100 -0.125 0.000 0.849 427 P CB 0.233 31.833 31.700 -0.167 0.000 0.787 428 E N 0.456 120.584 120.200 -0.119 0.000 2.282 428 E HA 0.409 4.757 4.350 -0.004 0.000 0.247 428 E C 0.740 177.323 176.600 -0.028 0.000 1.113 428 E CA -0.258 56.079 56.400 -0.104 0.000 1.095 428 E CB -0.253 29.318 29.700 -0.215 0.000 1.328 428 E HN 0.120 nan 8.360 nan 0.000 0.463 429 G N 2.237 111.041 108.800 0.006 0.000 2.870 429 G HA2 -0.302 3.656 3.960 -0.004 0.000 0.685 429 G HA3 -0.302 3.656 3.960 -0.004 0.000 0.685 429 G C -0.416 174.540 174.900 0.093 0.000 1.556 429 G CA -0.386 44.746 45.100 0.053 0.000 1.042 429 G HN 0.527 nan 8.290 nan 0.000 0.592 430 E N -0.052 120.211 120.200 0.105 0.000 2.200 430 E HA 0.507 4.854 4.350 -0.004 0.000 0.283 430 E C -0.198 176.515 176.600 0.187 0.000 1.015 430 E CA -0.951 55.538 56.400 0.147 0.000 0.819 430 E CB 0.446 30.219 29.700 0.122 0.000 1.081 430 E HN 0.354 nan 8.360 nan 0.000 0.397 431 L N 2.890 124.251 121.223 0.230 0.000 2.331 431 L HA 0.598 4.936 4.340 -0.004 0.000 0.275 431 L C -0.161 176.868 176.870 0.266 0.000 1.022 431 L CA -0.654 54.325 54.840 0.233 0.000 0.812 431 L CB 1.498 43.693 42.059 0.227 0.000 1.257 431 L HN 0.621 nan 8.230 nan 0.000 0.435 432 A N 2.404 125.336 122.820 0.187 0.000 2.330 432 A HA 0.856 5.174 4.320 -0.004 0.000 0.327 432 A C -1.019 176.618 177.584 0.089 0.000 1.155 432 A CA -0.373 51.683 52.037 0.031 0.000 0.803 432 A CB 0.716 19.692 19.000 -0.039 0.000 1.208 432 A HN 0.572 nan 8.150 nan 0.000 0.477 433 F N 0.524 120.414 119.950 -0.100 0.000 2.599 433 F HA 0.839 5.364 4.527 -0.004 0.000 0.311 433 F C -0.407 175.347 175.800 -0.077 0.000 1.076 433 F CA -0.873 57.090 58.000 -0.062 0.000 0.937 433 F CB 1.764 40.732 39.000 -0.052 0.000 1.282 433 F HN 0.458 nan 8.300 nan 0.000 0.460 434 S N 3.192 118.935 115.700 0.071 0.000 2.594 434 S HA 0.769 5.236 4.470 -0.004 0.000 0.296 434 S C -1.317 173.381 174.600 0.164 0.000 1.124 434 S CA -0.572 57.629 58.200 0.003 0.000 1.011 434 S CB 0.773 63.962 63.200 -0.018 0.000 1.016 434 S HN 0.664 nan 8.310 nan 0.000 0.485 435 I N 4.795 125.465 120.570 0.168 0.000 2.411 435 I HA 0.449 4.616 4.170 -0.004 0.000 0.284 435 I C -1.067 175.096 176.117 0.077 0.000 1.012 435 I CA -0.826 60.555 61.300 0.136 0.000 1.119 435 I CB 1.888 39.977 38.000 0.149 0.000 1.261 435 I HN 0.302 nan 8.210 nan 0.000 0.448 436 V N 5.849 125.803 119.914 0.067 0.000 2.407 436 V HA 0.420 4.538 4.120 -0.004 0.000 0.291 436 V C -0.391 175.738 176.094 0.058 0.000 1.018 436 V CA -0.717 61.617 62.300 0.057 0.000 0.842 436 V CB 1.554 33.414 31.823 0.062 0.000 0.996 436 V HN 0.641 nan 8.190 nan 0.000 0.426 437 N N 4.366 123.102 118.700 0.060 0.000 2.392 437 N HA 0.506 5.244 4.740 -0.004 0.000 0.283 437 N C -1.007 174.607 175.510 0.173 0.000 1.003 437 N CA -0.399 52.706 53.050 0.092 0.000 0.892 437 N CB 2.254 40.748 38.487 0.012 0.000 1.193 437 N HN 0.688 nan 8.380 nan 0.000 0.487 438 N N -0.331 118.469 118.700 0.167 0.000 2.235 438 N HA 0.379 5.116 4.740 -0.004 0.000 0.293 438 N C 0.368 175.921 175.510 0.073 0.000 1.083 438 N CA -0.403 52.706 53.050 0.097 0.000 0.801 438 N CB 2.526 41.041 38.487 0.046 0.000 1.559 438 N HN 0.667 nan 8.380 nan 0.000 0.472 439 G N 0.899 109.656 108.800 -0.072 0.000 2.176 439 G HA2 -0.260 3.698 3.960 -0.004 0.000 0.253 439 G HA3 -0.260 3.698 3.960 -0.004 0.000 0.253 439 G C 0.160 175.015 174.900 -0.075 0.000 0.979 439 G CA 0.488 45.542 45.100 -0.076 0.000 0.641 439 G HN 0.875 nan 8.290 nan 0.000 0.530 440 H N -0.298 118.771 119.070 -0.001 0.000 2.822 440 H HA 0.579 5.133 4.556 -0.003 0.000 0.373 440 H C 0.862 176.189 175.328 -0.003 0.000 1.223 440 H CA 0.606 56.652 56.048 -0.003 0.000 1.436 440 H CB 1.176 30.933 29.762 -0.007 0.000 1.439 440 H HN 0.058 nan 8.280 nan 0.000 0.618 441 S N 0.378 116.124 115.700 0.077 0.000 2.603 441 S HA 0.289 4.757 4.470 -0.004 0.000 0.232 441 S C 0.689 175.312 174.600 0.038 0.000 1.016 441 S CA 0.037 58.243 58.200 0.010 0.000 0.976 441 S CB -0.059 63.150 63.200 0.014 0.000 0.921 441 S HN 0.951 nan 8.310 nan 0.000 0.516 442 G N 1.614 110.477 108.800 0.105 0.000 3.291 442 G HA2 0.512 4.469 3.960 -0.004 0.000 0.173 442 G HA3 0.512 4.469 3.960 -0.004 0.000 0.173 442 G C -2.656 172.312 174.900 0.114 0.000 1.099 442 G CA -0.702 44.445 45.100 0.078 0.000 0.794 442 G HN 0.252 nan 8.290 nan 0.000 0.651 443 P HA 0.331 nan 4.420 nan 0.000 0.264 443 P C 0.039 177.366 177.300 0.045 0.000 1.179 443 P CA 0.080 63.206 63.100 0.044 0.000 0.763 443 P CB 0.361 32.064 31.700 0.005 0.000 0.806 444 A N 5.445 128.278 122.820 0.022 0.000 2.540 444 A HA 0.182 4.499 4.320 -0.004 0.000 0.239 444 A C -1.464 176.004 177.584 -0.193 0.000 1.061 444 A CA -0.802 51.182 52.037 -0.089 0.000 0.758 444 A CB -0.981 17.996 19.000 -0.037 0.000 0.991 444 A HN 0.437 nan 8.150 nan 0.000 0.502 445 P HA 0.083 nan 4.420 nan 0.000 0.232 445 P C 0.567 177.777 177.300 -0.149 0.000 1.738 445 P CA 0.157 63.114 63.100 -0.239 0.000 0.948 445 P CB -0.144 31.377 31.700 -0.299 0.000 1.943 446 L N 0.118 121.275 121.223 -0.111 0.000 2.156 446 L HA -0.073 4.265 4.340 -0.004 0.000 0.208 446 L C 2.501 179.328 176.870 -0.072 0.000 1.095 446 L CA 1.298 56.090 54.840 -0.080 0.000 0.770 446 L CB -0.870 41.150 42.059 -0.064 0.000 0.914 446 L HN 0.109 nan 8.230 nan 0.000 0.439 447 A N 0.007 122.785 122.820 -0.071 0.000 1.898 447 A HA -0.108 4.209 4.320 -0.004 0.000 0.216 447 A C 2.355 179.895 177.584 -0.074 0.000 1.181 447 A CA 1.380 53.379 52.037 -0.064 0.000 0.620 447 A CB -0.694 18.273 19.000 -0.055 0.000 0.819 447 A HN 0.158 nan 8.150 nan 0.000 0.442 448 V N 0.049 119.914 119.914 -0.082 0.000 2.287 448 V HA -0.349 3.769 4.120 -0.004 0.000 0.248 448 V C 2.667 178.701 176.094 -0.100 0.000 1.053 448 V CA 2.388 64.635 62.300 -0.088 0.000 1.027 448 V CB -0.947 30.823 31.823 -0.089 0.000 0.646 448 V HN 0.652 nan 8.190 nan 0.000 0.447 449 Q N -0.521 119.225 119.800 -0.091 0.000 2.050 449 Q HA -0.218 4.120 4.340 -0.004 0.000 0.202 449 Q C 2.126 178.061 176.000 -0.109 0.000 0.980 449 Q CA 1.812 57.564 55.803 -0.084 0.000 0.840 449 Q CB -0.275 28.437 28.738 -0.044 0.000 0.898 449 Q HN 0.627 nan 8.270 nan 0.000 0.424 450 D N 0.638 120.985 120.400 -0.089 0.000 2.092 450 D HA -0.191 4.447 4.640 -0.004 0.000 0.193 450 D C 1.845 178.076 176.300 -0.116 0.000 0.994 450 D CA 1.506 55.451 54.000 -0.091 0.000 0.828 450 D CB -0.433 40.327 40.800 -0.067 0.000 0.963 450 D HN 0.272 nan 8.370 nan 0.000 0.450 451 A N 1.010 123.765 122.820 -0.107 0.000 1.903 451 A HA -0.231 4.086 4.320 -0.004 0.000 0.219 451 A C 2.448 179.940 177.584 -0.153 0.000 1.191 451 A CA 1.564 53.535 52.037 -0.111 0.000 0.638 451 A CB -0.915 18.027 19.000 -0.097 0.000 0.823 451 A HN 0.254 nan 8.150 nan 0.000 0.451 452 I N -0.533 119.918 120.570 -0.198 0.000 2.113 452 I HA -0.277 3.891 4.170 -0.004 0.000 0.238 452 I C 3.036 178.939 176.117 -0.357 0.000 1.070 452 I CA 1.149 62.281 61.300 -0.279 0.000 1.332 452 I CB -0.640 37.173 38.000 -0.311 0.000 1.044 452 I HN 0.369 nan 8.210 nan 0.000 0.402 453 A N 0.691 123.254 122.820 -0.430 0.000 1.917 453 A HA -0.189 4.129 4.320 -0.004 0.000 0.219 453 A C 2.459 179.894 177.584 -0.248 0.000 1.182 453 A CA 2.136 53.881 52.037 -0.487 0.000 0.633 453 A CB -1.109 17.675 19.000 -0.360 0.000 0.819 453 A HN 0.271 nan 8.150 nan 0.000 0.448 454 V N -0.121 119.693 119.914 -0.167 0.000 2.295 454 V HA -0.252 3.866 4.120 -0.004 0.000 0.246 454 V C 2.725 178.777 176.094 -0.069 0.000 1.049 454 V CA 2.150 64.394 62.300 -0.094 0.000 1.024 454 V CB -0.781 30.998 31.823 -0.074 0.000 0.648 454 V HN 0.502 nan 8.190 nan 0.000 0.447 455 R N -0.381 120.061 120.500 -0.095 0.000 2.091 455 R HA -0.122 4.216 4.340 -0.004 0.000 0.238 455 R C 2.245 178.530 176.300 -0.023 0.000 1.136 455 R CA 1.566 57.628 56.100 -0.063 0.000 0.959 455 R CB -0.617 29.620 30.300 -0.106 0.000 0.856 455 R HN 0.470 nan 8.270 nan 0.000 0.437 456 L N -0.241 120.929 121.223 -0.088 0.000 2.056 456 L HA -0.141 4.197 4.340 -0.004 0.000 0.207 456 L C 2.709 179.638 176.870 0.098 0.000 1.078 456 L CA 1.270 56.097 54.840 -0.022 0.000 0.749 456 L CB -0.687 41.283 42.059 -0.147 0.000 0.901 456 L HN 0.171 nan 8.230 nan 0.000 0.433 457 A N 0.258 123.110 122.820 0.054 0.000 1.892 457 A HA -0.263 4.055 4.320 -0.004 0.000 0.218 457 A C 2.159 179.850 177.584 0.179 0.000 1.188 457 A CA 1.995 54.115 52.037 0.138 0.000 0.631 457 A CB -0.547 18.486 19.000 0.055 0.000 0.822 457 A HN 0.473 nan 8.150 nan 0.000 0.447 458 E N -1.851 118.415 120.200 0.110 0.000 2.085 458 E HA -0.237 4.111 4.350 -0.004 0.000 0.194 458 E C 1.904 178.555 176.600 0.085 0.000 0.994 458 E CA 1.583 58.035 56.400 0.088 0.000 0.801 458 E CB -0.337 29.398 29.700 0.059 0.000 0.743 458 E HN 0.795 nan 8.360 nan 0.000 0.453 459 Y N 0.941 121.240 120.300 -0.001 0.000 2.224 459 Y HA -0.160 4.388 4.550 -0.003 0.000 0.289 459 Y C 2.097 177.996 175.900 -0.002 0.000 1.146 459 Y CA 1.315 59.412 58.100 -0.005 0.000 1.182 459 Y CB -0.162 38.293 38.460 -0.009 0.000 0.983 459 Y HN -0.017 nan 8.280 nan 0.000 0.524 460 A N -0.423 122.452 122.820 0.093 0.000 2.239 460 A HA 0.252 4.570 4.320 -0.004 0.000 0.209 460 A C 1.783 179.269 177.584 -0.163 0.000 1.171 460 A CA 1.043 53.085 52.037 0.009 0.000 0.768 460 A CB -1.359 17.742 19.000 0.167 0.000 0.790 460 A HN 0.989 nan 8.150 nan 0.000 0.478 461 G N -1.588 107.110 108.800 -0.169 0.000 2.131 461 G HA2 -0.159 3.799 3.960 -0.004 0.000 0.201 461 G HA3 -0.159 3.799 3.960 -0.004 0.000 0.201 461 G C -0.076 174.654 174.900 -0.282 0.000 1.000 461 G CA 0.082 45.044 45.100 -0.230 0.000 0.680 461 G HN 0.646 nan 8.290 nan 0.000 0.514 462 H N -0.201 118.862 119.070 -0.011 0.000 2.496 462 H HA 0.695 5.248 4.556 -0.004 0.000 0.342 462 H C 0.188 175.512 175.328 -0.006 0.000 1.170 462 H CA 0.149 56.195 56.048 -0.004 0.000 1.274 462 H CB 1.558 31.323 29.762 0.005 0.000 1.538 462 H HN 0.369 nan 8.280 nan 0.000 0.542 463 Q N -0.183 119.704 119.800 0.145 0.000 2.423 463 Q HA 0.529 4.867 4.340 -0.004 0.000 0.278 463 Q C -0.823 175.211 176.000 0.057 0.000 1.097 463 Q CA -0.918 54.927 55.803 0.071 0.000 0.809 463 Q CB 2.704 31.466 28.738 0.041 0.000 1.391 463 Q HN 0.795 nan 8.270 nan 0.000 0.428 464 A N 3.059 125.897 122.820 0.030 0.000 2.520 464 A HA 0.331 4.649 4.320 -0.004 0.000 0.245 464 A C -2.019 175.573 177.584 0.013 0.000 1.072 464 A CA -0.752 51.293 52.037 0.013 0.000 0.761 464 A CB -0.611 18.392 19.000 0.004 0.000 1.004 464 A HN 0.450 nan 8.150 nan 0.000 0.499 465 P HA 0.202 nan 4.420 nan 0.000 0.268 465 P C -0.397 176.906 177.300 0.004 0.000 1.204 465 P CA 0.374 63.478 63.100 0.006 0.000 0.768 465 P CB 0.777 32.477 31.700 0.000 0.000 0.842 466 E N 0.000 120.203 120.200 0.005 0.000 2.725 466 E HA 0.000 4.348 4.350 -0.004 0.000 0.291 466 E CA 0.000 56.402 56.400 0.003 0.000 0.976 466 E CB 0.000 29.702 29.700 0.003 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440