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 3gnc_1_C DATA FIRST_RESID 4 DATA SEQUENCE ATFHWDDPLL LDQQLADDER MVRDAAHAYA QGKLAPRVTE AFRHETTDAA DATA SEQUENCE IFREMGEIGL LGPTIPEQYG GPGLDYVSYG LIAREVERVD SGYRSMMSVQ DATA SEQUENCE SSLVMVPIFE FGSDAQKEKY LPKLATGEWI GCFGLTEPNX XXXXGSMVTR DATA SEQUENCE ARKVPGGYSL SGSKMWITNS PIADVFVVWA KLDEDGRDEI RGFILEKGCK DATA SEQUENCE GLSAPAIHGK VGLRASITGE IVLDEAFVPE ENILPHVKGL RGPFTCLNSA DATA SEQUENCE RYGIAWGALG AAESCWHIAR QYVLDRKQFG RPLAANQLIQ KKLADMQTEI DATA SEQUENCE TLGLQGVLRL GRMKDEGTAA VEITSIMKRN SCGKALDIAR LARDMLGGNX DATA SEQUENCE XXDEFGVARH LVNLEVVNTY EGTHDIHALI LGRAQTGIQA F 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.645 177.584 0.102 0.000 1.274 4 A CA 0.000 52.087 52.037 0.083 0.000 0.836 4 A CB 0.000 19.057 19.000 0.094 0.000 0.831 5 T N -0.389 114.230 114.554 0.108 0.000 2.909 5 T HA 0.621 4.971 4.350 0.001 0.000 0.289 5 T C -0.150 174.655 174.700 0.174 0.000 1.005 5 T CA -0.341 61.811 62.100 0.087 0.000 1.084 5 T CB 0.569 69.420 68.868 -0.028 0.000 0.975 5 T HN 1.115 nan 8.240 nan 0.000 0.509 6 F N 2.572 122.524 119.950 0.004 0.000 2.410 6 F HA 0.390 4.917 4.527 0.001 0.000 0.348 6 F C -0.074 175.713 175.800 -0.021 0.000 1.106 6 F CA -0.818 57.224 58.000 0.069 0.000 1.163 6 F CB 0.639 39.690 39.000 0.085 0.000 1.129 6 F HN 0.732 nan 8.300 nan 0.000 0.516 7 H N 7.315 126.027 119.070 -0.598 0.000 2.700 7 H HA 0.067 4.624 4.556 0.001 0.000 0.269 7 H C 0.607 175.341 175.328 -0.989 0.000 1.222 7 H CA -0.801 54.871 56.048 -0.626 0.000 1.254 7 H CB 0.127 29.645 29.762 -0.407 0.000 1.413 7 H HN 0.771 nan 8.280 nan 0.000 0.507 8 W N 3.606 124.440 121.300 -0.777 0.000 2.331 8 W HA -0.181 4.479 4.660 0.001 0.000 0.291 8 W C 0.328 176.816 176.519 -0.052 0.000 1.214 8 W CA 1.408 58.492 57.345 -0.434 0.000 1.228 8 W CB -0.190 29.263 29.460 -0.010 0.000 1.135 8 W HN 0.532 nan 8.180 nan 0.000 0.537 9 D N -0.078 119.675 120.400 -1.079 0.000 2.347 9 D HA -0.088 4.552 4.640 0.001 0.000 0.213 9 D C -0.199 175.921 176.300 -0.300 0.000 0.985 9 D CA 0.575 53.987 54.000 -0.979 0.000 0.879 9 D CB -0.474 39.298 40.800 -1.714 0.000 0.919 9 D HN 0.131 nan 8.370 nan 0.000 0.526 10 D N -0.308 119.933 120.400 -0.264 0.000 2.978 10 D HA 0.193 4.833 4.640 0.001 0.000 0.268 10 D C -2.155 174.062 176.300 -0.137 0.000 1.252 10 D CA -1.554 52.359 54.000 -0.145 0.000 0.771 10 D CB 1.296 41.981 40.800 -0.192 0.000 1.361 10 D HN -0.219 nan 8.370 nan 0.000 0.558 11 P HA -0.054 nan 4.420 nan 0.000 0.216 11 P C 1.280 178.617 177.300 0.061 0.000 1.150 11 P CA 0.895 63.996 63.100 0.001 0.000 0.837 11 P CB 0.320 32.151 31.700 0.219 0.000 0.786 12 L N -1.472 119.765 121.223 0.022 0.000 2.611 12 L HA 0.180 4.521 4.340 0.001 0.000 0.229 12 L C 0.424 177.274 176.870 -0.035 0.000 1.137 12 L CA -0.125 54.724 54.840 0.014 0.000 0.901 12 L CB -0.485 41.581 42.059 0.011 0.000 1.098 12 L HN -0.091 nan 8.230 nan 0.000 0.456 13 L N -0.037 121.129 121.223 -0.095 0.000 3.597 13 L HA -0.271 4.069 4.340 0.001 0.000 0.440 13 L C 1.579 178.392 176.870 -0.095 0.000 1.277 13 L CA -0.277 54.468 54.840 -0.158 0.000 0.852 13 L CB -1.272 40.682 42.059 -0.175 0.000 1.708 13 L HN 0.293 nan 8.230 nan 0.000 0.885 14 L N 0.665 121.849 121.223 -0.064 0.000 2.034 14 L HA -0.258 4.082 4.340 0.001 0.000 0.217 14 L C 2.170 179.024 176.870 -0.027 0.000 1.077 14 L CA 2.767 57.594 54.840 -0.021 0.000 0.769 14 L CB -0.450 41.612 42.059 0.005 0.000 0.890 14 L HN 0.580 nan 8.230 nan 0.000 0.435 15 D N -1.153 119.207 120.400 -0.067 0.000 2.172 15 D HA -0.274 4.367 4.640 0.001 0.000 0.196 15 D C 1.850 178.113 176.300 -0.061 0.000 0.999 15 D CA 1.817 55.774 54.000 -0.071 0.000 0.856 15 D CB 0.027 40.757 40.800 -0.117 0.000 0.934 15 D HN 0.663 nan 8.370 nan 0.000 0.453 16 Q N -0.562 119.193 119.800 -0.075 0.000 2.331 16 Q HA -0.043 4.297 4.340 0.001 0.000 0.203 16 Q C 1.995 177.979 176.000 -0.026 0.000 0.944 16 Q CA 0.392 56.162 55.803 -0.055 0.000 0.892 16 Q CB 0.126 28.822 28.738 -0.070 0.000 0.983 16 Q HN 0.482 nan 8.270 nan 0.000 0.482 17 Q N 0.130 119.922 119.800 -0.014 0.000 2.472 17 Q HA 0.083 4.424 4.340 0.001 0.000 0.208 17 Q C 0.090 176.104 176.000 0.024 0.000 0.958 17 Q CA 0.212 56.021 55.803 0.010 0.000 0.932 17 Q CB 0.252 29.003 28.738 0.022 0.000 1.007 17 Q HN 0.295 nan 8.270 nan 0.000 0.508 18 L N 0.687 121.919 121.223 0.015 0.000 2.334 18 L HA 0.408 4.748 4.340 0.001 0.000 0.277 18 L C 0.228 177.099 176.870 0.003 0.000 1.075 18 L CA -1.006 53.845 54.840 0.017 0.000 0.804 18 L CB 0.773 42.838 42.059 0.010 0.000 1.174 18 L HN 0.001 nan 8.230 nan 0.000 0.438 19 A N 1.343 124.165 122.820 0.003 0.000 2.483 19 A HA -0.036 4.284 4.320 0.001 0.000 0.238 19 A C 0.854 178.430 177.584 -0.014 0.000 1.070 19 A CA 0.016 52.050 52.037 -0.006 0.000 0.770 19 A CB 0.102 19.099 19.000 -0.006 0.000 1.008 19 A HN 0.939 nan 8.150 nan 0.000 0.497 20 D N 0.551 120.941 120.400 -0.016 0.000 2.144 20 D HA -0.181 4.460 4.640 0.001 0.000 0.200 20 D C 1.396 177.682 176.300 -0.023 0.000 0.978 20 D CA 1.676 55.664 54.000 -0.020 0.000 0.833 20 D CB 0.047 40.836 40.800 -0.019 0.000 0.961 20 D HN 0.703 nan 8.370 nan 0.000 0.470 21 D N 0.607 120.994 120.400 -0.023 0.000 2.230 21 D HA -0.270 4.371 4.640 0.001 0.000 0.189 21 D C 1.702 177.982 176.300 -0.033 0.000 1.006 21 D CA 1.684 55.667 54.000 -0.028 0.000 0.853 21 D CB -0.283 40.500 40.800 -0.028 0.000 0.959 21 D HN 0.407 nan 8.370 nan 0.000 0.449 22 E N -0.562 119.619 120.200 -0.032 0.000 2.110 22 E HA -0.156 4.194 4.350 0.001 0.000 0.193 22 E C 2.407 178.983 176.600 -0.040 0.000 0.988 22 E CA 0.650 57.026 56.400 -0.041 0.000 0.804 22 E CB -0.080 29.600 29.700 -0.035 0.000 0.745 22 E HN 0.232 nan 8.360 nan 0.000 0.458 23 R N 0.417 120.899 120.500 -0.031 0.000 2.092 23 R HA -0.065 4.275 4.340 0.001 0.000 0.231 23 R C 2.199 178.482 176.300 -0.027 0.000 1.119 23 R CA 1.126 57.208 56.100 -0.031 0.000 0.970 23 R CB 0.001 30.283 30.300 -0.029 0.000 0.864 23 R HN 0.187 nan 8.270 nan 0.000 0.440 24 M N -0.304 119.281 119.600 -0.025 0.000 2.175 24 M HA -0.143 4.337 4.480 0.001 0.000 0.264 24 M C 2.165 178.455 176.300 -0.017 0.000 1.063 24 M CA 1.200 56.489 55.300 -0.019 0.000 1.119 24 M CB -0.001 32.586 32.600 -0.021 0.000 1.377 24 M HN 0.004 nan 8.290 nan 0.000 0.415 25 V N 0.373 120.271 119.914 -0.027 0.000 2.287 25 V HA -0.303 3.817 4.120 0.001 0.000 0.248 25 V C 2.436 178.521 176.094 -0.014 0.000 1.053 25 V CA 2.038 64.321 62.300 -0.028 0.000 1.027 25 V CB -0.902 30.893 31.823 -0.046 0.000 0.646 25 V HN 0.490 nan 8.190 nan 0.000 0.447 26 R N 0.145 120.632 120.500 -0.022 0.000 2.083 26 R HA -0.215 4.126 4.340 0.001 0.000 0.237 26 R C 2.051 178.374 176.300 0.038 0.000 1.137 26 R CA 2.323 58.420 56.100 -0.005 0.000 0.951 26 R CB -0.457 29.827 30.300 -0.027 0.000 0.851 26 R HN 0.527 nan 8.270 nan 0.000 0.434 27 D N 0.292 120.706 120.400 0.023 0.000 2.117 27 D HA -0.135 4.505 4.640 0.001 0.000 0.197 27 D C 1.753 178.108 176.300 0.093 0.000 0.987 27 D CA 1.557 55.589 54.000 0.054 0.000 0.829 27 D CB -0.339 40.473 40.800 0.020 0.000 0.961 27 D HN 0.403 nan 8.370 nan 0.000 0.460 28 A N 1.072 123.925 122.820 0.056 0.000 1.877 28 A HA -0.034 4.287 4.320 0.001 0.000 0.216 28 A C 2.331 179.972 177.584 0.095 0.000 1.186 28 A CA 2.331 54.402 52.037 0.056 0.000 0.620 28 A CB -0.892 18.118 19.000 0.016 0.000 0.822 28 A HN 0.232 nan 8.150 nan 0.000 0.443 29 A N -0.864 122.010 122.820 0.091 0.000 1.883 29 A HA -0.222 4.099 4.320 0.001 0.000 0.217 29 A C 2.050 179.724 177.584 0.150 0.000 1.186 29 A CA 2.295 54.408 52.037 0.127 0.000 0.624 29 A CB -0.956 18.094 19.000 0.083 0.000 0.822 29 A HN 0.792 nan 8.150 nan 0.000 0.444 30 H N -0.138 118.955 119.070 0.038 0.000 2.293 30 H HA 0.033 4.590 4.556 0.001 0.000 0.300 30 H C 2.231 177.564 175.328 0.009 0.000 1.082 30 H CA 2.123 58.181 56.048 0.017 0.000 1.308 30 H CB -0.373 29.392 29.762 0.007 0.000 1.375 30 H HN 0.384 nan 8.280 nan 0.000 0.495 31 A N 0.124 122.965 122.820 0.035 0.000 1.873 31 A HA -0.279 4.041 4.320 0.001 0.000 0.218 31 A C 2.423 179.978 177.584 -0.048 0.000 1.193 31 A CA 1.927 53.949 52.037 -0.024 0.000 0.629 31 A CB -1.648 17.383 19.000 0.053 0.000 0.826 31 A HN 0.755 nan 8.150 nan 0.000 0.447 32 Y N 0.335 120.586 120.300 -0.081 0.000 2.070 32 Y HA -0.164 4.386 4.550 0.001 0.000 0.280 32 Y C 2.697 178.521 175.900 -0.126 0.000 1.148 32 Y CA 2.061 60.107 58.100 -0.091 0.000 1.125 32 Y CB -0.494 37.921 38.460 -0.075 0.000 0.975 32 Y HN 0.324 nan 8.280 nan 0.000 0.492 33 A N 0.305 122.852 122.820 -0.455 0.000 1.902 33 A HA -0.220 4.100 4.320 0.001 0.000 0.217 33 A C 2.066 179.391 177.584 -0.432 0.000 1.181 33 A CA 1.817 53.526 52.037 -0.546 0.000 0.623 33 A CB -0.699 18.168 19.000 -0.221 0.000 0.818 33 A HN 0.606 nan 8.150 nan 0.000 0.443 34 Q N -0.516 119.059 119.800 -0.375 0.000 2.046 34 Q HA -0.101 4.240 4.340 0.001 0.000 0.200 34 Q C 2.275 178.127 176.000 -0.248 0.000 0.975 34 Q CA 1.658 57.270 55.803 -0.319 0.000 0.836 34 Q CB -1.157 27.317 28.738 -0.440 0.000 0.896 34 Q HN 0.631 nan 8.270 nan 0.000 0.428 35 G N 1.185 109.841 108.800 -0.240 0.000 2.421 35 G HA2 -0.241 3.719 3.960 0.001 0.000 0.216 35 G HA3 -0.241 3.719 3.960 0.001 0.000 0.216 35 G C 1.526 176.310 174.900 -0.194 0.000 1.171 35 G CA 0.828 45.828 45.100 -0.167 0.000 0.775 35 G HN 0.273 nan 8.290 nan 0.000 0.543 36 K N -0.720 119.478 120.400 -0.336 0.000 2.262 36 K HA 0.344 4.664 4.320 0.001 0.000 0.200 36 K C 2.460 178.839 176.600 -0.369 0.000 1.058 36 K CA -0.065 56.027 56.287 -0.324 0.000 0.974 36 K CB 0.048 32.356 32.500 -0.320 0.000 0.910 36 K HN 0.197 nan 8.250 nan 0.000 0.484 37 L N 0.713 121.615 121.223 -0.536 0.000 2.162 37 L HA 0.057 4.398 4.340 0.001 0.000 0.205 37 L C 2.552 179.286 176.870 -0.227 0.000 1.086 37 L CA 0.650 55.186 54.840 -0.507 0.000 0.778 37 L CB -0.448 41.173 42.059 -0.731 0.000 0.928 37 L HN 0.114 nan 8.230 nan 0.000 0.446 38 A N 0.953 123.665 122.820 -0.179 0.000 1.940 38 A HA -0.132 4.189 4.320 0.001 0.000 0.219 38 A C -0.125 177.442 177.584 -0.027 0.000 1.176 38 A CA 1.743 53.738 52.037 -0.069 0.000 0.631 38 A CB -1.709 17.242 19.000 -0.081 0.000 0.814 38 A HN 0.314 nan 8.150 nan 0.000 0.446 39 P HA -0.003 nan 4.420 nan 0.000 0.227 39 P C 1.329 178.642 177.300 0.022 0.000 1.161 39 P CA 0.728 63.822 63.100 -0.011 0.000 0.788 39 P CB -0.007 31.678 31.700 -0.025 0.000 0.822 40 R N -0.606 119.909 120.500 0.026 0.000 2.115 40 R HA -0.010 4.331 4.340 0.001 0.000 0.226 40 R C 2.189 178.584 176.300 0.158 0.000 1.100 40 R CA 0.539 56.692 56.100 0.089 0.000 0.980 40 R CB -1.196 29.162 30.300 0.095 0.000 0.875 40 R HN 0.055 nan 8.270 nan 0.000 0.445 41 V N 0.834 120.854 119.914 0.176 0.000 2.332 41 V HA -0.283 3.837 4.120 0.001 0.000 0.248 41 V C 1.695 177.875 176.094 0.143 0.000 1.055 41 V CA 2.399 64.832 62.300 0.222 0.000 1.038 41 V CB -0.290 31.646 31.823 0.190 0.000 0.651 41 V HN 0.378 nan 8.190 nan 0.000 0.450 42 T N -0.572 114.044 114.554 0.103 0.000 2.788 42 T HA -0.161 4.189 4.350 0.001 0.000 0.268 42 T C 1.774 176.563 174.700 0.149 0.000 1.044 42 T CA 1.854 64.011 62.100 0.094 0.000 1.139 42 T CB -0.147 68.761 68.868 0.068 0.000 0.867 42 T HN 0.485 nan 8.240 nan 0.000 0.454 43 E N 0.304 120.599 120.200 0.158 0.000 2.364 43 E HA 0.364 4.715 4.350 0.001 0.000 0.196 43 E C 2.137 178.866 176.600 0.215 0.000 0.990 43 E CA 0.443 56.968 56.400 0.209 0.000 0.886 43 E CB -0.280 29.552 29.700 0.220 0.000 0.866 43 E HN 0.378 nan 8.360 nan 0.000 0.493 44 A N 0.080 123.009 122.820 0.181 0.000 1.933 44 A HA -0.172 4.148 4.320 0.001 0.000 0.218 44 A C 2.066 179.711 177.584 0.102 0.000 1.175 44 A CA 1.320 53.449 52.037 0.154 0.000 0.628 44 A CB -0.743 18.371 19.000 0.191 0.000 0.814 44 A HN 0.413 nan 8.150 nan 0.000 0.444 45 F N 0.187 120.119 119.950 -0.031 0.000 2.098 45 F HA -0.052 4.475 4.527 0.001 0.000 0.294 45 F C 2.344 178.099 175.800 -0.075 0.000 1.107 45 F CA 1.820 59.775 58.000 -0.076 0.000 1.234 45 F CB -0.260 38.679 39.000 -0.102 0.000 1.002 45 F HN 0.163 nan 8.300 nan 0.000 0.472 46 R N -0.935 119.575 120.500 0.016 0.000 2.127 46 R HA -0.179 4.162 4.340 0.001 0.000 0.238 46 R C 0.980 176.981 176.300 -0.498 0.000 1.134 46 R CA 2.101 58.056 56.100 -0.241 0.000 0.975 46 R CB -0.415 29.733 30.300 -0.253 0.000 0.865 46 R HN 0.477 nan 8.270 nan 0.000 0.447 47 H N -1.390 117.645 119.070 -0.058 0.000 2.672 47 H HA 0.186 4.743 4.556 0.001 0.000 0.277 47 H C -0.528 174.773 175.328 -0.045 0.000 1.074 47 H CA 0.121 56.145 56.048 -0.041 0.000 1.173 47 H CB 0.777 30.540 29.762 0.001 0.000 1.558 47 H HN 0.228 nan 8.280 nan 0.000 0.539 48 E N 1.813 121.989 120.200 -0.040 0.000 2.297 48 E HA -0.178 4.173 4.350 0.001 0.000 0.228 48 E C -0.473 176.162 176.600 0.058 0.000 1.213 48 E CA 0.499 56.877 56.400 -0.036 0.000 0.712 48 E CB -0.811 28.874 29.700 -0.025 0.000 1.202 48 E HN 0.521 nan 8.360 nan 0.000 0.376 49 T N -0.732 113.871 114.554 0.081 0.000 2.737 49 T HA 0.276 4.626 4.350 0.001 0.000 0.296 49 T C 0.461 175.222 174.700 0.101 0.000 0.922 49 T CA -0.189 61.973 62.100 0.104 0.000 1.079 49 T CB 1.350 70.286 68.868 0.113 0.000 0.892 49 T HN 0.118 nan 8.240 nan 0.000 0.514 50 T N 4.540 119.157 114.554 0.105 0.000 2.933 50 T HA 0.159 4.510 4.350 0.001 0.000 0.306 50 T C -0.114 174.663 174.700 0.128 0.000 1.045 50 T CA 0.388 62.555 62.100 0.111 0.000 1.143 50 T CB 0.089 69.022 68.868 0.108 0.000 1.003 50 T HN 0.823 nan 8.240 nan 0.000 0.540 51 D N 0.799 121.294 120.400 0.158 0.000 2.738 51 D HA 0.406 5.046 4.640 0.001 0.000 0.218 51 D C -0.264 176.171 176.300 0.226 0.000 1.345 51 D CA -0.589 53.516 54.000 0.176 0.000 0.943 51 D CB 1.061 41.975 40.800 0.191 0.000 1.514 51 D HN 0.461 nan 8.370 nan 0.000 0.585 52 A N 2.472 125.428 122.820 0.227 0.000 2.430 52 A HA 0.524 4.844 4.320 0.001 0.000 0.243 52 A C 1.719 179.500 177.584 0.329 0.000 1.254 52 A CA 0.832 53.074 52.037 0.342 0.000 0.914 52 A CB 0.161 19.307 19.000 0.243 0.000 0.998 52 A HN 0.530 nan 8.150 nan 0.000 0.515 53 A N 0.669 123.606 122.820 0.195 0.000 1.883 53 A HA 0.030 4.350 4.320 0.001 0.000 0.217 53 A C 2.383 180.030 177.584 0.106 0.000 1.186 53 A CA 2.397 54.516 52.037 0.137 0.000 0.624 53 A CB -1.295 17.759 19.000 0.091 0.000 0.822 53 A HN 1.312 nan 8.150 nan 0.000 0.444 54 I N -1.483 119.097 120.570 0.016 0.000 2.182 54 I HA -0.297 3.873 4.170 0.001 0.000 0.248 54 I C 2.491 178.510 176.117 -0.163 0.000 1.073 54 I CA 2.858 64.085 61.300 -0.120 0.000 1.335 54 I CB -1.878 35.917 38.000 -0.341 0.000 1.031 54 I HN 0.435 nan 8.210 nan 0.000 0.420 55 F N 0.100 120.080 119.950 0.050 0.000 2.084 55 F HA -0.091 4.437 4.527 0.001 0.000 0.296 55 F C 2.751 178.539 175.800 -0.018 0.000 1.111 55 F CA 2.188 60.201 58.000 0.022 0.000 1.224 55 F CB -0.702 38.325 39.000 0.045 0.000 0.991 55 F HN 0.129 nan 8.300 nan 0.000 0.471 56 R N 0.395 120.998 120.500 0.171 0.000 2.075 56 R HA -0.128 4.213 4.340 0.001 0.000 0.232 56 R C 2.052 178.338 176.300 -0.024 0.000 1.126 56 R CA 1.524 57.661 56.100 0.062 0.000 0.963 56 R CB -0.610 29.729 30.300 0.064 0.000 0.858 56 R HN 0.413 nan 8.270 nan 0.000 0.435 57 E N 0.637 120.814 120.200 -0.039 0.000 2.049 57 E HA -0.222 4.128 4.350 0.001 0.000 0.198 57 E C 2.078 178.441 176.600 -0.396 0.000 1.007 57 E CA 1.635 57.949 56.400 -0.143 0.000 0.809 57 E CB -0.120 29.576 29.700 -0.007 0.000 0.749 57 E HN 0.299 nan 8.360 nan 0.000 0.450 58 M N 0.088 119.431 119.600 -0.428 0.000 2.175 58 M HA -0.057 4.423 4.480 0.001 0.000 0.264 58 M C 2.477 178.631 176.300 -0.244 0.000 1.063 58 M CA 1.346 56.363 55.300 -0.471 0.000 1.119 58 M CB -0.349 32.066 32.600 -0.309 0.000 1.377 58 M HN 0.211 nan 8.290 nan 0.000 0.415 59 G N 0.351 109.074 108.800 -0.129 0.000 2.440 59 G HA2 -0.220 3.741 3.960 0.001 0.000 0.218 59 G HA3 -0.220 3.741 3.960 0.001 0.000 0.218 59 G C 1.297 176.140 174.900 -0.095 0.000 1.154 59 G CA 0.901 45.957 45.100 -0.074 0.000 0.767 59 G HN 0.478 nan 8.290 nan 0.000 0.552 60 E N 0.175 120.310 120.200 -0.108 0.000 2.070 60 E HA -0.137 4.214 4.350 0.001 0.000 0.197 60 E C 2.341 178.877 176.600 -0.106 0.000 1.004 60 E CA 1.251 57.593 56.400 -0.096 0.000 0.805 60 E CB -0.217 29.429 29.700 -0.091 0.000 0.744 60 E HN 0.716 nan 8.360 nan 0.000 0.451 61 I N -3.317 117.164 120.570 -0.149 0.000 3.810 61 I HA 0.319 4.490 4.170 0.001 0.000 0.322 61 I C 0.859 176.906 176.117 -0.117 0.000 1.288 61 I CA 0.554 61.775 61.300 -0.132 0.000 1.143 61 I CB -0.065 37.839 38.000 -0.160 0.000 1.012 61 I HN 0.163 nan 8.210 nan 0.000 0.423 62 G N 2.413 111.146 108.800 -0.113 0.000 2.160 62 G HA2 -0.248 3.713 3.960 0.001 0.000 0.244 62 G HA3 -0.248 3.713 3.960 0.001 0.000 0.244 62 G C 0.409 175.253 174.900 -0.094 0.000 1.022 62 G CA 0.381 45.424 45.100 -0.094 0.000 0.741 62 G HN 0.499 nan 8.290 nan 0.000 0.508 63 L N -0.760 120.398 121.223 -0.108 0.000 2.592 63 L HA 0.362 4.702 4.340 0.001 0.000 0.227 63 L C 1.253 178.090 176.870 -0.055 0.000 1.127 63 L CA 0.128 54.919 54.840 -0.081 0.000 0.884 63 L CB 0.013 42.011 42.059 -0.102 0.000 1.065 63 L HN 0.222 nan 8.230 nan 0.000 0.457 64 L N 0.137 121.324 121.223 -0.060 0.000 2.307 64 L HA 0.436 4.776 4.340 0.001 0.000 0.282 64 L C 1.029 177.851 176.870 -0.080 0.000 1.051 64 L CA -0.388 54.430 54.840 -0.036 0.000 0.804 64 L CB 1.278 43.344 42.059 0.012 0.000 1.197 64 L HN 0.194 nan 8.230 nan 0.000 0.431 65 G N 3.410 112.137 108.800 -0.120 0.000 2.366 65 G HA2 -0.191 3.770 3.960 0.001 0.000 0.299 65 G HA3 -0.191 3.770 3.960 0.001 0.000 0.299 65 G C -1.311 173.438 174.900 -0.251 0.000 1.020 65 G CA -0.108 44.873 45.100 -0.200 0.000 1.026 65 G HN 0.614 nan 8.290 nan 0.000 0.512 66 P HA -0.125 nan 4.420 nan 0.000 0.221 66 P C 1.761 178.898 177.300 -0.273 0.000 1.145 66 P CA 1.976 64.945 63.100 -0.219 0.000 0.795 66 P CB -0.089 31.527 31.700 -0.140 0.000 0.775 67 T N -3.913 110.416 114.554 -0.376 0.000 3.107 67 T HA 0.110 4.460 4.350 0.001 0.000 0.249 67 T C 0.927 175.352 174.700 -0.458 0.000 1.096 67 T CA -0.265 61.573 62.100 -0.437 0.000 1.012 67 T CB -0.529 67.980 68.868 -0.598 0.000 0.977 67 T HN -0.193 nan 8.240 nan 0.000 0.527 68 I N 3.485 123.798 120.570 -0.427 0.000 2.533 68 I HA 0.321 4.492 4.170 0.001 0.000 0.284 68 I C -2.200 173.704 176.117 -0.354 0.000 1.109 68 I CA -3.017 57.975 61.300 -0.513 0.000 1.412 68 I CB 0.376 38.176 38.000 -0.334 0.000 1.396 68 I HN 0.049 nan 8.210 nan 0.000 0.543 69 P HA 0.059 nan 4.420 nan 0.000 0.270 69 P C 0.797 178.034 177.300 -0.105 0.000 1.227 69 P CA -0.168 62.829 63.100 -0.172 0.000 0.788 69 P CB 0.657 32.310 31.700 -0.078 0.000 0.926 70 E N 0.507 120.647 120.200 -0.101 0.000 2.110 70 E HA -0.289 4.061 4.350 0.001 0.000 0.193 70 E C 1.834 178.371 176.600 -0.106 0.000 0.988 70 E CA 1.049 57.395 56.400 -0.090 0.000 0.804 70 E CB -0.180 29.469 29.700 -0.085 0.000 0.745 70 E HN 0.573 nan 8.360 nan 0.000 0.458 71 Q N 0.222 119.928 119.800 -0.157 0.000 2.156 71 Q HA -0.230 4.111 4.340 0.001 0.000 0.211 71 Q C 0.823 176.593 176.000 -0.384 0.000 0.995 71 Q CA 1.755 57.370 55.803 -0.312 0.000 0.877 71 Q CB -0.095 28.369 28.738 -0.457 0.000 0.920 71 Q HN 0.368 nan 8.270 nan 0.000 0.416 72 Y N -1.602 118.698 120.300 -0.001 0.000 2.607 72 Y HA 0.354 4.905 4.550 0.001 0.000 0.266 72 Y C 1.165 177.050 175.900 -0.024 0.000 1.178 72 Y CA 0.273 58.382 58.100 0.014 0.000 1.226 72 Y CB 1.102 39.608 38.460 0.077 0.000 1.144 72 Y HN 0.322 nan 8.280 nan 0.000 0.528 73 G N -0.637 108.187 108.800 0.040 0.000 2.176 73 G HA2 -0.217 3.744 3.960 0.001 0.000 0.232 73 G HA3 -0.217 3.744 3.960 0.001 0.000 0.232 73 G C 0.745 175.626 174.900 -0.032 0.000 0.986 73 G CA -0.206 44.891 45.100 -0.006 0.000 0.643 73 G HN 0.724 nan 8.290 nan 0.000 0.522 74 G N 0.146 108.921 108.800 -0.041 0.000 2.599 74 G HA2 0.592 4.553 3.960 0.001 0.000 0.264 74 G HA3 0.592 4.553 3.960 0.001 0.000 0.264 74 G C -0.563 174.276 174.900 -0.101 0.000 1.200 74 G CA -0.256 44.789 45.100 -0.092 0.000 0.896 74 G HN 0.130 nan 8.290 nan 0.000 0.536 75 P HA 0.082 nan 4.420 nan 0.000 0.249 75 P C 1.087 178.318 177.300 -0.115 0.000 1.229 75 P CA 0.872 63.910 63.100 -0.104 0.000 0.788 75 P CB 0.498 32.139 31.700 -0.099 0.000 1.072 76 G N 0.344 109.057 108.800 -0.145 0.000 2.198 76 G HA2 -0.256 3.705 3.960 0.001 0.000 0.260 76 G HA3 -0.256 3.705 3.960 0.001 0.000 0.260 76 G C 0.062 174.871 174.900 -0.151 0.000 1.025 76 G CA 0.043 45.052 45.100 -0.152 0.000 0.769 76 G HN 0.285 nan 8.290 nan 0.000 0.507 77 L N -0.060 121.067 121.223 -0.160 0.000 2.482 77 L HA 0.580 4.921 4.340 0.001 0.000 0.242 77 L C 0.977 177.732 176.870 -0.191 0.000 1.210 77 L CA -0.505 54.249 54.840 -0.143 0.000 0.819 77 L CB 0.228 42.218 42.059 -0.116 0.000 1.203 77 L HN 0.396 nan 8.230 nan 0.000 0.495 78 D N -2.290 118.018 120.400 -0.154 0.000 2.487 78 D HA 0.103 4.743 4.640 0.001 0.000 0.262 78 D C 0.600 176.807 176.300 -0.154 0.000 1.130 78 D CA -0.366 53.519 54.000 -0.191 0.000 1.038 78 D CB 0.352 41.098 40.800 -0.090 0.000 1.142 78 D HN 0.337 nan 8.370 nan 0.000 0.575 79 Y N -0.414 119.881 120.300 -0.009 0.000 2.224 79 Y HA -0.130 4.421 4.550 0.001 0.000 0.289 79 Y C 2.428 178.398 175.900 0.118 0.000 1.146 79 Y CA 1.022 59.145 58.100 0.037 0.000 1.182 79 Y CB -0.637 37.731 38.460 -0.153 0.000 0.983 79 Y HN 0.182 nan 8.280 nan 0.000 0.524 80 V N -1.074 118.951 119.914 0.185 0.000 2.287 80 V HA -0.313 3.808 4.120 0.001 0.000 0.248 80 V C 2.271 178.204 176.094 -0.268 0.000 1.053 80 V CA 2.198 64.498 62.300 -0.000 0.000 1.027 80 V CB -0.962 30.900 31.823 0.065 0.000 0.646 80 V HN 0.343 nan 8.190 nan 0.000 0.447 81 S N -1.497 114.126 115.700 -0.128 0.000 2.382 81 S HA -0.234 4.237 4.470 0.001 0.000 0.228 81 S C 1.785 176.317 174.600 -0.113 0.000 1.027 81 S CA 1.818 59.934 58.200 -0.140 0.000 0.991 81 S CB -0.508 62.644 63.200 -0.081 0.000 0.823 81 S HN 0.735 nan 8.310 nan 0.000 0.469 82 Y N 2.177 122.371 120.300 -0.177 0.000 2.145 82 Y HA -0.178 4.372 4.550 0.001 0.000 0.286 82 Y C 2.521 178.258 175.900 -0.273 0.000 1.145 82 Y CA 1.045 59.071 58.100 -0.124 0.000 1.148 82 Y CB -0.793 37.692 38.460 0.042 0.000 0.981 82 Y HN 0.309 nan 8.280 nan 0.000 0.507 83 G N 1.280 109.655 108.800 -0.709 0.000 2.529 83 G HA2 -0.307 3.654 3.960 0.001 0.000 0.219 83 G HA3 -0.307 3.654 3.960 0.001 0.000 0.219 83 G C 1.420 175.627 174.900 -1.154 0.000 1.177 83 G CA 1.255 45.324 45.100 -1.717 0.000 0.773 83 G HN 0.343 nan 8.290 nan 0.000 0.573 84 L N 0.552 121.206 121.223 -0.947 0.000 2.042 84 L HA -0.013 4.328 4.340 0.001 0.000 0.210 84 L C 2.973 179.733 176.870 -0.183 0.000 1.076 84 L CA 1.193 55.778 54.840 -0.425 0.000 0.749 84 L CB -1.155 40.731 42.059 -0.289 0.000 0.893 84 L HN 0.272 nan 8.230 nan 0.000 0.432 85 I N -0.377 120.099 120.570 -0.157 0.000 2.179 85 I HA -0.281 3.889 4.170 0.001 0.000 0.242 85 I C 2.667 178.769 176.117 -0.025 0.000 1.088 85 I CA 1.234 62.511 61.300 -0.037 0.000 1.357 85 I CB -0.435 37.582 38.000 0.028 0.000 1.051 85 I HN 0.177 nan 8.210 nan 0.000 0.409 86 A N 0.753 123.511 122.820 -0.103 0.000 1.908 86 A HA -0.274 4.047 4.320 0.001 0.000 0.218 86 A C 2.418 179.998 177.584 -0.007 0.000 1.181 86 A CA 2.032 54.023 52.037 -0.076 0.000 0.627 86 A CB -0.717 18.148 19.000 -0.225 0.000 0.818 86 A HN 0.399 nan 8.150 nan 0.000 0.445 87 R N -0.484 120.023 120.500 0.013 0.000 2.081 87 R HA -0.155 4.186 4.340 0.001 0.000 0.235 87 R C 1.795 178.137 176.300 0.071 0.000 1.131 87 R CA 1.719 57.867 56.100 0.080 0.000 0.960 87 R CB -0.178 30.229 30.300 0.178 0.000 0.856 87 R HN 0.448 nan 8.270 nan 0.000 0.436 88 E N 0.044 120.286 120.200 0.070 0.000 2.107 88 E HA -0.099 4.251 4.350 0.001 0.000 0.191 88 E C 2.084 178.731 176.600 0.078 0.000 0.982 88 E CA 1.031 57.490 56.400 0.099 0.000 0.809 88 E CB -0.097 29.675 29.700 0.121 0.000 0.756 88 E HN 0.230 nan 8.360 nan 0.000 0.459 89 V N 1.139 121.097 119.914 0.073 0.000 2.358 89 V HA -0.209 3.912 4.120 0.001 0.000 0.246 89 V C 2.361 178.523 176.094 0.112 0.000 1.047 89 V CA 1.917 64.266 62.300 0.081 0.000 1.035 89 V CB -0.363 31.517 31.823 0.097 0.000 0.658 89 V HN 0.227 nan 8.190 nan 0.000 0.452 90 E N 0.059 120.317 120.200 0.097 0.000 2.285 90 E HA -0.172 4.178 4.350 0.001 0.000 0.194 90 E C 2.358 179.036 176.600 0.129 0.000 0.997 90 E CA 0.367 56.832 56.400 0.109 0.000 0.845 90 E CB -0.081 29.656 29.700 0.062 0.000 0.782 90 E HN 0.427 nan 8.360 nan 0.000 0.491 91 R N -0.003 120.551 120.500 0.091 0.000 2.117 91 R HA -0.164 4.177 4.340 0.001 0.000 0.243 91 R C 1.782 178.185 176.300 0.173 0.000 1.143 91 R CA 1.591 57.736 56.100 0.075 0.000 0.968 91 R CB -0.052 30.294 30.300 0.077 0.000 0.863 91 R HN 0.130 nan 8.270 nan 0.000 0.444 92 V N -0.192 119.821 119.914 0.164 0.000 2.300 92 V HA -0.018 4.102 4.120 0.001 0.000 0.241 92 V C 0.863 177.069 176.094 0.187 0.000 1.034 92 V CA 1.578 63.977 62.300 0.165 0.000 1.021 92 V CB -0.119 31.759 31.823 0.091 0.000 0.662 92 V HN 0.402 nan 8.190 nan 0.000 0.458 93 D N -2.106 118.422 120.400 0.213 0.000 2.886 93 D HA 0.166 4.806 4.640 0.001 0.000 0.216 93 D C 0.371 176.728 176.300 0.096 0.000 1.256 93 D CA -0.008 54.043 54.000 0.084 0.000 0.844 93 D CB 2.298 43.065 40.800 -0.056 0.000 1.669 93 D HN 0.012 nan 8.370 nan 0.000 0.513 94 S N 1.349 117.085 115.700 0.060 0.000 2.399 94 S HA -0.071 4.399 4.470 0.001 0.000 0.231 94 S C 1.852 176.454 174.600 0.004 0.000 1.022 94 S CA 1.244 59.470 58.200 0.043 0.000 0.983 94 S CB -0.056 63.167 63.200 0.039 0.000 0.803 94 S HN 0.672 nan 8.310 nan 0.000 0.480 95 G N 0.420 109.185 108.800 -0.058 0.000 2.446 95 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 95 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 95 G C 1.114 175.968 174.900 -0.078 0.000 1.168 95 G CA 0.776 45.813 45.100 -0.106 0.000 0.771 95 G HN 0.582 nan 8.290 nan 0.000 0.551 96 Y N 0.005 120.319 120.300 0.023 0.000 2.242 96 Y HA -0.042 4.509 4.550 0.001 0.000 0.291 96 Y C 3.053 178.946 175.900 -0.011 0.000 1.137 96 Y CA 0.996 59.091 58.100 -0.008 0.000 1.181 96 Y CB -0.067 38.384 38.460 -0.014 0.000 0.989 96 Y HN 0.016 nan 8.280 nan 0.000 0.527 97 R N 0.397 120.991 120.500 0.156 0.000 2.081 97 R HA -0.162 4.179 4.340 0.001 0.000 0.235 97 R C 2.473 178.814 176.300 0.067 0.000 1.131 97 R CA 1.502 57.659 56.100 0.095 0.000 0.960 97 R CB -0.690 29.649 30.300 0.066 0.000 0.856 97 R HN 0.261 nan 8.270 nan 0.000 0.436 98 S N 0.448 116.173 115.700 0.041 0.000 2.353 98 S HA -0.166 4.305 4.470 0.001 0.000 0.222 98 S C 2.154 176.796 174.600 0.069 0.000 1.035 98 S CA 1.742 59.952 58.200 0.017 0.000 1.025 98 S CB -0.117 63.069 63.200 -0.023 0.000 0.902 98 S HN 0.348 nan 8.310 nan 0.000 0.440 99 M N 0.503 120.162 119.600 0.098 0.000 2.106 99 M HA -0.153 4.328 4.480 0.001 0.000 0.259 99 M C 2.445 178.845 176.300 0.167 0.000 1.068 99 M CA 1.925 57.328 55.300 0.172 0.000 1.100 99 M CB -0.388 32.286 32.600 0.123 0.000 1.351 99 M HN 0.465 nan 8.290 nan 0.000 0.404 100 M N -0.422 119.222 119.600 0.075 0.000 2.132 100 M HA -0.167 4.313 4.480 0.001 0.000 0.263 100 M C 2.022 178.410 176.300 0.145 0.000 1.065 100 M CA 1.671 57.023 55.300 0.086 0.000 1.122 100 M CB -0.090 32.550 32.600 0.066 0.000 1.365 100 M HN 0.167 nan 8.290 nan 0.000 0.411 101 S N 0.301 116.081 115.700 0.133 0.000 2.368 101 S HA -0.126 4.345 4.470 0.001 0.000 0.225 101 S C 1.853 176.516 174.600 0.105 0.000 1.030 101 S CA 1.450 59.735 58.200 0.142 0.000 0.999 101 S CB -0.521 62.726 63.200 0.077 0.000 0.844 101 S HN 0.411 nan 8.310 nan 0.000 0.459 102 V N 1.722 121.699 119.914 0.104 0.000 2.233 102 V HA -0.263 3.857 4.120 0.001 0.000 0.247 102 V C 2.613 178.782 176.094 0.124 0.000 1.050 102 V CA 2.233 64.595 62.300 0.104 0.000 1.010 102 V CB -0.823 31.093 31.823 0.154 0.000 0.637 102 V HN 0.389 nan 8.190 nan 0.000 0.444 103 Q N 0.321 120.231 119.800 0.184 0.000 2.045 103 Q HA -0.193 4.147 4.340 0.001 0.000 0.206 103 Q C 2.323 178.379 176.000 0.095 0.000 0.991 103 Q CA 2.743 58.650 55.803 0.173 0.000 0.851 103 Q CB -0.404 28.506 28.738 0.286 0.000 0.911 103 Q HN 0.660 nan 8.270 nan 0.000 0.418 104 S N -0.910 114.828 115.700 0.063 0.000 2.348 104 S HA -0.009 4.461 4.470 0.001 0.000 0.219 104 S C 2.053 176.615 174.600 -0.063 0.000 1.033 104 S CA 1.088 59.259 58.200 -0.048 0.000 0.974 104 S CB -0.226 62.883 63.200 -0.151 0.000 0.868 104 S HN 0.296 nan 8.310 nan 0.000 0.459 105 S N 0.642 116.341 115.700 -0.002 0.000 2.470 105 S HA 0.326 4.797 4.470 0.001 0.000 0.222 105 S C 1.452 176.048 174.600 -0.007 0.000 1.024 105 S CA 0.225 58.430 58.200 0.010 0.000 0.931 105 S CB 0.016 63.276 63.200 0.101 0.000 0.791 105 S HN 0.299 nan 8.310 nan 0.000 0.513 106 L N 0.324 121.530 121.223 -0.028 0.000 2.590 106 L HA 0.255 4.596 4.340 0.001 0.000 0.227 106 L C 1.186 178.196 176.870 0.234 0.000 1.099 106 L CA 0.195 54.975 54.840 -0.099 0.000 0.872 106 L CB 0.255 42.091 42.059 -0.371 0.000 1.088 106 L HN 0.170 nan 8.230 nan 0.000 0.479 107 V N -1.619 118.395 119.914 0.167 0.000 3.029 107 V HA 0.049 4.169 4.120 0.001 0.000 0.230 107 V C 1.989 178.153 176.094 0.117 0.000 1.254 107 V CA 0.392 62.792 62.300 0.166 0.000 1.276 107 V CB 0.263 32.155 31.823 0.114 0.000 1.080 107 V HN 0.155 nan 8.190 nan 0.000 0.495 108 M N 0.035 119.682 119.600 0.080 0.000 2.200 108 M HA -0.090 4.391 4.480 0.001 0.000 0.265 108 M C 2.167 178.506 176.300 0.065 0.000 1.066 108 M CA 1.398 56.733 55.300 0.057 0.000 1.127 108 M CB -0.270 32.335 32.600 0.008 0.000 1.379 108 M HN 0.233 nan 8.290 nan 0.000 0.420 109 V N 1.242 121.188 119.914 0.054 0.000 2.270 109 V HA -0.155 3.965 4.120 0.001 0.000 0.245 109 V C -0.568 175.561 176.094 0.057 0.000 1.043 109 V CA 2.008 64.345 62.300 0.062 0.000 1.014 109 V CB -1.912 29.936 31.823 0.040 0.000 0.645 109 V HN 0.273 nan 8.190 nan 0.000 0.447 110 P HA -0.141 nan 4.420 nan 0.000 0.217 110 P C 1.835 179.194 177.300 0.098 0.000 1.150 110 P CA 1.666 64.901 63.100 0.226 0.000 0.832 110 P CB 0.000 32.014 31.700 0.523 0.000 0.787 111 I N -1.425 119.195 120.570 0.083 0.000 2.142 111 I HA -0.234 3.936 4.170 0.001 0.000 0.240 111 I C 2.541 178.649 176.117 -0.015 0.000 1.078 111 I CA 1.356 62.677 61.300 0.034 0.000 1.343 111 I CB -0.768 37.255 38.000 0.039 0.000 1.046 111 I HN -0.174 nan 8.210 nan 0.000 0.405 112 F N 1.947 121.809 119.950 -0.147 0.000 2.126 112 F HA -0.269 4.259 4.527 0.001 0.000 0.299 112 F C 2.372 178.031 175.800 -0.234 0.000 1.096 112 F CA 2.017 59.887 58.000 -0.218 0.000 1.255 112 F CB -0.133 38.760 39.000 -0.179 0.000 0.997 112 F HN -0.019 nan 8.300 nan 0.000 0.479 113 E N -0.931 119.003 120.200 -0.444 0.000 2.122 113 E HA -0.032 4.319 4.350 0.001 0.000 0.190 113 E C 1.272 177.472 176.600 -0.666 0.000 0.977 113 E CA 1.300 57.230 56.400 -0.784 0.000 0.820 113 E CB -0.152 28.844 29.700 -1.174 0.000 0.770 113 E HN 0.416 nan 8.360 nan 0.000 0.462 114 F N -1.457 118.489 119.950 -0.006 0.000 2.746 114 F HA 0.421 4.949 4.527 0.001 0.000 0.320 114 F C 1.058 176.896 175.800 0.063 0.000 1.097 114 F CA -0.098 57.943 58.000 0.068 0.000 1.195 114 F CB -0.036 39.020 39.000 0.094 0.000 1.056 114 F HN -0.103 nan 8.300 nan 0.000 0.562 115 G N 0.593 109.459 108.800 0.110 0.000 2.599 115 G HA2 0.377 4.338 3.960 0.001 0.000 0.264 115 G HA3 0.377 4.338 3.960 0.001 0.000 0.264 115 G C 0.166 175.133 174.900 0.112 0.000 1.200 115 G CA -0.166 44.969 45.100 0.058 0.000 0.896 115 G HN 0.225 nan 8.290 nan 0.000 0.536 116 S N -0.333 115.396 115.700 0.050 0.000 2.614 116 S HA 0.145 4.615 4.470 0.001 0.000 0.265 116 S C 0.710 175.354 174.600 0.072 0.000 1.303 116 S CA -0.252 57.998 58.200 0.083 0.000 1.000 116 S CB 1.342 64.562 63.200 0.033 0.000 0.935 116 S HN 0.496 nan 8.310 nan 0.000 0.551 117 D N 1.232 121.691 120.400 0.097 0.000 2.182 117 D HA -0.062 4.579 4.640 0.001 0.000 0.201 117 D C 2.084 178.452 176.300 0.113 0.000 0.986 117 D CA 1.690 55.758 54.000 0.112 0.000 0.847 117 D CB -0.682 40.199 40.800 0.135 0.000 0.942 117 D HN 0.699 nan 8.370 nan 0.000 0.467 118 A N 0.568 123.442 122.820 0.090 0.000 1.929 118 A HA -0.166 4.154 4.320 0.001 0.000 0.216 118 A C 2.152 179.787 177.584 0.085 0.000 1.176 118 A CA 1.060 53.145 52.037 0.080 0.000 0.628 118 A CB -0.432 18.606 19.000 0.064 0.000 0.816 118 A HN 0.160 nan 8.150 nan 0.000 0.444 119 Q N -0.139 119.730 119.800 0.115 0.000 2.046 119 Q HA -0.154 4.186 4.340 0.001 0.000 0.200 119 Q C 2.076 178.203 176.000 0.213 0.000 0.975 119 Q CA 1.709 57.650 55.803 0.229 0.000 0.836 119 Q CB -0.171 28.684 28.738 0.195 0.000 0.896 119 Q HN 0.616 nan 8.270 nan 0.000 0.428 120 K N 0.813 121.243 120.400 0.049 0.000 2.009 120 K HA -0.226 4.094 4.320 0.001 0.000 0.210 120 K C 2.070 178.683 176.600 0.022 0.000 1.049 120 K CA 1.739 57.949 56.287 -0.128 0.000 0.929 120 K CB -0.181 31.974 32.500 -0.574 0.000 0.714 120 K HN 0.380 nan 8.250 nan 0.000 0.440 121 E N 1.315 121.608 120.200 0.155 0.000 2.274 121 E HA -0.203 4.147 4.350 0.001 0.000 0.194 121 E C 1.976 178.636 176.600 0.100 0.000 0.996 121 E CA 1.091 57.632 56.400 0.235 0.000 0.840 121 E CB 0.048 29.878 29.700 0.218 0.000 0.772 121 E HN 0.193 nan 8.360 nan 0.000 0.491 122 K N -0.221 120.197 120.400 0.029 0.000 2.067 122 K HA -0.094 4.227 4.320 0.001 0.000 0.203 122 K C 1.445 177.990 176.600 -0.091 0.000 1.048 122 K CA 1.041 57.263 56.287 -0.108 0.000 0.954 122 K CB -0.050 32.263 32.500 -0.311 0.000 0.737 122 K HN 0.131 nan 8.250 nan 0.000 0.444 123 Y N 0.834 121.249 120.300 0.191 0.000 2.343 123 Y HA 0.074 4.625 4.550 0.001 0.000 0.294 123 Y C 1.998 177.984 175.900 0.144 0.000 1.122 123 Y CA 0.433 58.694 58.100 0.270 0.000 1.173 123 Y CB -0.129 38.463 38.460 0.221 0.000 1.077 123 Y HN -0.073 nan 8.280 nan 0.000 0.542 124 L N 0.182 121.546 121.223 0.234 0.000 1.989 124 L HA -0.191 4.149 4.340 0.001 0.000 0.211 124 L C -0.481 176.432 176.870 0.072 0.000 1.071 124 L CA 1.537 56.463 54.840 0.143 0.000 0.749 124 L CB -1.825 40.309 42.059 0.125 0.000 0.890 124 L HN 0.165 nan 8.230 nan 0.000 0.431 125 P HA -0.190 nan 4.420 nan 0.000 0.216 125 P C 1.249 178.468 177.300 -0.135 0.000 1.150 125 P CA 1.368 64.441 63.100 -0.046 0.000 0.843 125 P CB -0.015 31.646 31.700 -0.065 0.000 0.787 126 K N -1.022 119.235 120.400 -0.238 0.000 2.243 126 K HA 0.090 4.411 4.320 0.001 0.000 0.201 126 K C 2.095 178.599 176.600 -0.161 0.000 1.051 126 K CA 0.777 56.799 56.287 -0.441 0.000 0.970 126 K CB -0.699 31.048 32.500 -1.253 0.000 0.755 126 K HN 0.263 nan 8.250 nan 0.000 0.465 127 L N 0.725 121.961 121.223 0.021 0.000 2.072 127 L HA -0.079 4.262 4.340 0.001 0.000 0.205 127 L C 2.576 179.473 176.870 0.045 0.000 1.079 127 L CA 1.098 55.993 54.840 0.091 0.000 0.752 127 L CB -0.624 41.518 42.059 0.138 0.000 0.906 127 L HN 0.062 nan 8.230 nan 0.000 0.436 128 A N 0.088 122.913 122.820 0.009 0.000 1.940 128 A HA -0.204 4.116 4.320 0.001 0.000 0.219 128 A C 2.316 179.885 177.584 -0.026 0.000 1.176 128 A CA 2.280 54.308 52.037 -0.015 0.000 0.631 128 A CB -0.894 18.088 19.000 -0.030 0.000 0.814 128 A HN 0.520 nan 8.150 nan 0.000 0.446 129 T N -4.542 109.986 114.554 -0.044 0.000 3.065 129 T HA 0.404 4.755 4.350 0.001 0.000 0.252 129 T C 1.405 176.097 174.700 -0.014 0.000 1.099 129 T CA 1.031 63.101 62.100 -0.050 0.000 1.063 129 T CB 0.170 68.987 68.868 -0.084 0.000 0.948 129 T HN 1.672 nan 8.240 nan 0.000 0.506 130 G N 1.446 110.261 108.800 0.025 0.000 2.143 130 G HA2 -0.308 3.652 3.960 0.001 0.000 0.249 130 G HA3 -0.308 3.652 3.960 0.001 0.000 0.249 130 G C 0.514 175.453 174.900 0.066 0.000 0.981 130 G CA 0.524 45.688 45.100 0.107 0.000 0.665 130 G HN 0.576 nan 8.290 nan 0.000 0.528 131 E N -1.203 118.981 120.200 -0.027 0.000 2.028 131 E HA -0.041 4.309 4.350 0.001 0.000 0.191 131 E C 0.480 177.137 176.600 0.094 0.000 0.988 131 E CA 0.727 57.093 56.400 -0.057 0.000 0.799 131 E CB 0.057 29.598 29.700 -0.266 0.000 0.755 131 E HN 0.475 nan 8.360 nan 0.000 0.447 132 W N 1.076 122.370 121.300 -0.011 0.000 2.390 132 W HA 0.417 5.077 4.660 0.001 0.000 0.312 132 W C -0.279 176.161 176.519 -0.131 0.000 1.123 132 W CA -1.063 56.254 57.345 -0.046 0.000 1.202 132 W CB 0.155 29.622 29.460 0.012 0.000 1.251 132 W HN 0.001 nan 8.180 nan 0.000 0.511 133 I N 3.082 123.627 120.570 -0.042 0.000 2.365 133 I HA 0.447 4.618 4.170 0.001 0.000 0.291 133 I C 1.076 177.023 176.117 -0.284 0.000 1.004 133 I CA -0.285 60.783 61.300 -0.387 0.000 1.311 133 I CB 0.838 38.411 38.000 -0.711 0.000 1.401 133 I HN 0.398 nan 8.210 nan 0.000 0.491 134 G N 4.368 113.031 108.800 -0.229 0.000 2.488 134 G HA2 0.619 4.579 3.960 0.001 0.000 0.318 134 G HA3 0.619 4.579 3.960 0.001 0.000 0.318 134 G C -0.748 174.047 174.900 -0.175 0.000 1.188 134 G CA -0.440 44.559 45.100 -0.168 0.000 0.944 134 G HN 0.894 nan 8.290 nan 0.000 0.495 135 C N -1.589 117.613 119.300 -0.164 0.000 3.323 135 C HA 0.871 5.331 4.460 0.001 0.000 0.324 135 C C -1.198 173.904 174.990 0.186 0.000 1.428 135 C CA -1.517 57.501 59.018 0.001 0.000 1.368 135 C CB 0.983 28.675 27.740 -0.081 0.000 1.731 135 C HN 0.744 nan 8.230 nan 0.000 0.455 136 F N 0.968 120.992 119.950 0.123 0.000 2.536 136 F HA 0.659 5.187 4.527 0.001 0.000 0.322 136 F C 0.184 176.150 175.800 0.277 0.000 1.144 136 F CA -0.023 58.110 58.000 0.223 0.000 0.924 136 F CB 1.576 40.727 39.000 0.252 0.000 1.181 136 F HN 1.101 nan 8.300 nan 0.000 0.438 137 G N 6.664 115.415 108.800 -0.082 0.000 2.873 137 G HA2 0.450 4.411 3.960 0.001 0.000 0.340 137 G HA3 0.450 4.411 3.960 0.001 0.000 0.340 137 G C -0.669 174.231 174.900 -0.001 0.000 1.171 137 G CA -0.228 44.879 45.100 0.013 0.000 1.113 137 G HN 0.725 nan 8.290 nan 0.000 0.471 138 L N 2.336 123.564 121.223 0.009 0.000 2.691 138 L HA 0.463 4.804 4.340 0.001 0.000 0.185 138 L C 1.308 178.248 176.870 0.116 0.000 1.081 138 L CA 0.685 55.549 54.840 0.040 0.000 0.865 138 L CB 0.224 42.265 42.059 -0.030 0.000 1.370 138 L HN 0.360 nan 8.230 nan 0.000 0.488 139 T N 1.229 115.892 114.554 0.181 0.000 2.902 139 T HA 0.216 4.566 4.350 0.001 0.000 0.301 139 T C -0.088 174.729 174.700 0.194 0.000 1.012 139 T CA 0.105 62.321 62.100 0.193 0.000 1.151 139 T CB -0.012 69.004 68.868 0.246 0.000 0.946 139 T HN 0.415 nan 8.240 nan 0.000 0.542 140 E N 3.938 124.239 120.200 0.169 0.000 2.320 140 E HA 0.348 4.698 4.350 0.001 0.000 0.264 140 E C -1.734 174.980 176.600 0.190 0.000 0.923 140 E CA -2.235 54.249 56.400 0.141 0.000 0.796 140 E CB 1.520 31.272 29.700 0.087 0.000 1.262 140 E HN 0.343 nan 8.360 nan 0.000 0.428 141 P HA -0.057 nan 4.420 nan 0.000 0.234 141 P C 0.055 177.444 177.300 0.149 0.000 1.167 141 P CA 1.550 64.751 63.100 0.168 0.000 0.763 141 P CB -0.459 31.267 31.700 0.042 0.000 0.835 149 S N -0.196 115.505 115.700 0.000 0.000 2.438 149 S HA 0.443 4.913 4.470 0.001 0.000 0.227 149 S C 0.635 175.244 174.600 0.015 0.000 1.265 149 S CA -0.417 57.786 58.200 0.005 0.000 1.265 149 S CB -0.569 62.630 63.200 -0.001 0.000 0.987 149 S HN 0.935 nan 8.310 nan 0.000 0.502 150 M N -0.649 118.965 119.600 0.023 0.000 2.291 150 M HA 0.574 5.055 4.480 0.001 0.000 0.324 150 M C 0.168 176.485 176.300 0.027 0.000 1.148 150 M CA -0.755 54.565 55.300 0.032 0.000 1.104 150 M CB 1.133 33.761 32.600 0.047 0.000 1.483 150 M HN -0.037 nan 8.290 nan 0.000 0.467 151 V N 0.112 120.042 119.914 0.026 0.000 2.795 151 V HA 0.002 4.122 4.120 0.001 0.000 0.243 151 V C 1.022 177.120 176.094 0.007 0.000 1.069 151 V CA 0.935 63.244 62.300 0.015 0.000 1.089 151 V CB 0.130 31.960 31.823 0.013 0.000 0.756 151 V HN 1.014 nan 8.190 nan 0.000 0.471 152 T N 2.610 117.169 114.554 0.009 0.000 2.908 152 T HA 0.233 4.583 4.350 0.001 0.000 0.301 152 T C 0.045 174.731 174.700 -0.022 0.000 1.019 152 T CA 0.637 62.729 62.100 -0.014 0.000 1.152 152 T CB 0.360 69.220 68.868 -0.014 0.000 0.966 152 T HN 0.368 nan 8.240 nan 0.000 0.540 153 R N 1.085 121.553 120.500 -0.054 0.000 2.795 153 R HA 0.663 5.004 4.340 0.001 0.000 0.275 153 R C -1.671 174.559 176.300 -0.118 0.000 0.981 153 R CA -0.777 55.291 56.100 -0.053 0.000 0.917 153 R CB 1.415 31.700 30.300 -0.024 0.000 1.202 153 R HN 0.660 nan 8.270 nan 0.000 0.469 154 A N 2.065 124.814 122.820 -0.117 0.000 2.310 154 A HA 0.680 5.001 4.320 0.001 0.000 0.304 154 A C -0.532 177.065 177.584 0.023 0.000 1.231 154 A CA -0.581 51.355 52.037 -0.168 0.000 0.799 154 A CB 1.004 19.741 19.000 -0.438 0.000 1.162 154 A HN 0.888 nan 8.150 nan 0.000 0.486 155 R N 2.240 122.759 120.500 0.031 0.000 2.297 155 R HA 0.571 4.911 4.340 0.001 0.000 0.308 155 R C 0.018 176.380 176.300 0.104 0.000 1.029 155 R CA -0.396 55.745 56.100 0.069 0.000 0.929 155 R CB 0.139 30.457 30.300 0.030 0.000 1.046 155 R HN 0.845 nan 8.270 nan 0.000 0.461 156 K N 1.386 121.839 120.400 0.089 0.000 2.350 156 K HA 0.404 4.725 4.320 0.001 0.000 0.279 156 K C -0.077 176.494 176.600 -0.048 0.000 1.027 156 K CA 0.251 56.510 56.287 -0.047 0.000 0.969 156 K CB 0.795 33.251 32.500 -0.074 0.000 0.954 156 K HN 0.652 nan 8.250 nan 0.000 0.474 157 V N 0.815 120.687 119.914 -0.071 0.000 3.181 157 V HA 0.577 4.697 4.120 0.001 0.000 0.308 157 V C -2.688 173.415 176.094 0.015 0.000 1.214 157 V CA -2.464 59.842 62.300 0.009 0.000 1.053 157 V CB 1.418 33.297 31.823 0.093 0.000 1.069 157 V HN 0.708 nan 8.190 nan 0.000 0.441 158 P HA 0.281 nan 4.420 nan 0.000 0.256 158 P C 0.816 178.153 177.300 0.063 0.000 1.173 158 P CA 2.081 65.181 63.100 0.000 0.000 0.768 158 P CB 0.151 31.828 31.700 -0.037 0.000 0.758 159 G N 3.141 111.986 108.800 0.074 0.000 3.662 159 G HA2 -0.138 3.822 3.960 0.001 0.000 0.251 159 G HA3 -0.138 3.822 3.960 0.001 0.000 0.251 159 G C 0.522 175.484 174.900 0.103 0.000 1.815 159 G CA 0.243 45.449 45.100 0.177 0.000 1.373 159 G HN 0.752 nan 8.290 nan 0.000 0.571 160 G N -1.097 107.792 108.800 0.149 0.000 2.667 160 G HA2 0.628 4.588 3.960 0.001 0.000 0.209 160 G HA3 0.628 4.588 3.960 0.001 0.000 0.209 160 G C -0.354 174.237 174.900 -0.515 0.000 1.963 160 G CA 0.376 45.345 45.100 -0.218 0.000 0.728 160 G HN 0.931 nan 8.290 nan 0.000 0.807 161 Y N -1.047 119.149 120.300 -0.174 0.000 2.625 161 Y HA 0.687 5.237 4.550 0.001 0.000 0.338 161 Y C -0.348 175.450 175.900 -0.170 0.000 1.123 161 Y CA -0.886 57.145 58.100 -0.116 0.000 1.046 161 Y CB 2.426 40.824 38.460 -0.103 0.000 1.299 161 Y HN 0.325 nan 8.280 nan 0.000 0.464 162 S N 1.758 117.492 115.700 0.056 0.000 2.707 162 S HA 0.658 5.129 4.470 0.001 0.000 0.312 162 S C -1.731 172.806 174.600 -0.104 0.000 1.116 162 S CA -0.421 57.785 58.200 0.010 0.000 1.078 162 S CB 0.131 63.373 63.200 0.070 0.000 0.997 162 S HN 0.485 nan 8.310 nan 0.000 0.477 163 L N 3.865 124.975 121.223 -0.188 0.000 2.295 163 L HA 0.642 4.983 4.340 0.001 0.000 0.285 163 L C -0.000 176.777 176.870 -0.154 0.000 1.035 163 L CA 0.217 54.905 54.840 -0.254 0.000 0.806 163 L CB 1.897 43.721 42.059 -0.392 0.000 1.214 163 L HN 0.583 nan 8.230 nan 0.000 0.426 164 S N 1.102 116.726 115.700 -0.125 0.000 2.547 164 S HA 0.947 5.418 4.470 0.001 0.000 0.281 164 S C -0.208 174.348 174.600 -0.074 0.000 1.118 164 S CA -0.254 57.894 58.200 -0.087 0.000 0.947 164 S CB 1.946 65.111 63.200 -0.059 0.000 1.053 164 S HN 1.001 nan 8.310 nan 0.000 0.482 165 G N 1.317 110.079 108.800 -0.064 0.000 2.343 165 G HA2 0.457 4.418 3.960 0.001 0.000 0.289 165 G HA3 0.457 4.418 3.960 0.001 0.000 0.289 165 G C -1.362 173.513 174.900 -0.042 0.000 1.295 165 G CA -0.076 44.997 45.100 -0.045 0.000 0.869 165 G HN 1.250 nan 8.290 nan 0.000 0.522 166 S N -0.527 115.158 115.700 -0.024 0.000 2.549 166 S HA 0.864 5.334 4.470 0.001 0.000 0.280 166 S C -1.130 173.475 174.600 0.008 0.000 1.109 166 S CA -0.804 57.384 58.200 -0.019 0.000 0.905 166 S CB 2.634 65.818 63.200 -0.027 0.000 1.081 166 S HN 0.709 nan 8.310 nan 0.000 0.477 167 K N 1.223 121.636 120.400 0.021 0.000 2.328 167 K HA 0.660 4.980 4.320 0.001 0.000 0.246 167 K C -1.090 175.542 176.600 0.053 0.000 0.955 167 K CA -0.701 55.626 56.287 0.066 0.000 0.817 167 K CB 1.951 34.508 32.500 0.095 0.000 1.208 167 K HN 0.750 nan 8.250 nan 0.000 0.432 168 M N 0.894 120.553 119.600 0.098 0.000 2.572 168 M HA 0.400 4.880 4.480 0.001 0.000 0.299 168 M C -1.297 175.151 176.300 0.246 0.000 1.205 168 M CA -0.033 55.259 55.300 -0.013 0.000 0.876 168 M CB 1.166 33.637 32.600 -0.215 0.000 1.728 168 M HN 0.601 nan 8.290 nan 0.000 0.458 169 W N 4.281 125.643 121.300 0.103 0.000 5.563 169 W HA -0.176 4.484 4.660 0.001 0.000 0.396 169 W C -1.100 175.536 176.519 0.194 0.000 1.519 169 W CA 0.077 57.508 57.345 0.142 0.000 0.953 169 W CB -1.754 27.796 29.460 0.151 0.000 2.691 169 W HN 0.377 nan 8.180 nan 0.000 1.444 170 I N 0.965 121.717 120.570 0.304 0.000 2.306 170 I HA 0.118 4.289 4.170 0.001 0.000 0.288 170 I C 1.258 177.511 176.117 0.227 0.000 1.036 170 I CA -0.341 61.131 61.300 0.288 0.000 1.221 170 I CB 0.284 38.427 38.000 0.238 0.000 1.385 170 I HN -0.257 nan 8.210 nan 0.000 0.472 171 T N 7.038 121.732 114.554 0.234 0.000 2.928 171 T HA 0.078 4.428 4.350 0.001 0.000 0.305 171 T C 0.985 175.772 174.700 0.145 0.000 1.035 171 T CA 0.343 62.545 62.100 0.171 0.000 1.145 171 T CB 0.230 69.183 68.868 0.143 0.000 0.963 171 T HN 0.630 nan 8.240 nan 0.000 0.545 172 N N 0.087 118.859 118.700 0.120 0.000 2.967 172 N HA -0.224 4.517 4.740 0.001 0.000 0.212 172 N C 1.533 177.038 175.510 -0.007 0.000 0.884 172 N CA 1.590 54.683 53.050 0.071 0.000 1.030 172 N CB -1.722 36.797 38.487 0.054 0.000 1.018 172 N HN 0.726 nan 8.380 nan 0.000 0.596 173 S N -0.331 115.391 115.700 0.036 0.000 2.399 173 S HA 0.006 4.476 4.470 0.001 0.000 0.231 173 S C -1.081 173.568 174.600 0.081 0.000 1.022 173 S CA 1.176 59.407 58.200 0.052 0.000 0.983 173 S CB -0.851 62.453 63.200 0.172 0.000 0.803 173 S HN 0.249 nan 8.310 nan 0.000 0.480 174 P HA 0.217 nan 4.420 nan 0.000 0.242 174 P C 0.840 178.170 177.300 0.051 0.000 1.197 174 P CA 0.534 63.673 63.100 0.066 0.000 0.765 174 P CB -0.305 31.421 31.700 0.043 0.000 0.936 175 I N -6.933 113.642 120.570 0.009 0.000 4.219 175 I HA 0.503 4.673 4.170 0.001 0.000 0.329 175 I C 0.160 176.206 176.117 -0.117 0.000 1.427 175 I CA -0.811 60.478 61.300 -0.019 0.000 1.151 175 I CB 0.299 38.304 38.000 0.008 0.000 1.369 175 I HN -0.313 nan 8.210 nan 0.000 0.521 176 A N 1.204 123.905 122.820 -0.199 0.000 2.322 176 A HA 0.422 4.742 4.320 0.001 0.000 0.269 176 A C 0.323 177.691 177.584 -0.359 0.000 1.094 176 A CA -0.163 51.616 52.037 -0.429 0.000 0.807 176 A CB 0.453 18.957 19.000 -0.827 0.000 1.047 176 A HN 0.400 nan 8.150 nan 0.000 0.487 177 D N 0.134 120.338 120.400 -0.328 0.000 2.431 177 D HA 0.139 4.779 4.640 0.001 0.000 0.227 177 D C -0.249 175.910 176.300 -0.234 0.000 1.030 177 D CA 0.850 54.717 54.000 -0.221 0.000 0.897 177 D CB 0.581 41.234 40.800 -0.246 0.000 1.058 177 D HN 0.233 nan 8.370 nan 0.000 0.500 178 V N 1.690 121.419 119.914 -0.308 0.000 2.487 178 V HA 0.350 4.471 4.120 0.001 0.000 0.298 178 V C -0.931 174.973 176.094 -0.316 0.000 1.028 178 V CA -0.685 61.499 62.300 -0.193 0.000 0.860 178 V CB 1.599 33.355 31.823 -0.112 0.000 0.991 178 V HN -0.096 nan 8.190 nan 0.000 0.427 179 F N 3.276 123.152 119.950 -0.124 0.000 2.449 179 F HA 0.539 5.066 4.527 0.001 0.000 0.342 179 F C 0.108 175.826 175.800 -0.137 0.000 1.127 179 F CA -0.938 57.008 58.000 -0.089 0.000 0.975 179 F CB 1.979 40.929 39.000 -0.084 0.000 1.146 179 F HN 0.171 nan 8.300 nan 0.000 0.444 180 V N 5.313 125.239 119.914 0.019 0.000 2.270 180 V HA 0.237 4.358 4.120 0.001 0.000 0.263 180 V C -0.115 175.813 176.094 -0.278 0.000 1.066 180 V CA -0.573 61.641 62.300 -0.145 0.000 0.857 180 V CB 0.674 32.462 31.823 -0.058 0.000 1.099 180 V HN 0.496 nan 8.190 nan 0.000 0.476 181 V N 3.960 123.717 119.914 -0.262 0.000 2.509 181 V HA 0.400 4.520 4.120 0.001 0.000 0.284 181 V C -0.466 175.404 176.094 -0.374 0.000 1.047 181 V CA -0.617 61.553 62.300 -0.217 0.000 0.952 181 V CB 1.522 33.293 31.823 -0.087 0.000 0.988 181 V HN 0.835 nan 8.190 nan 0.000 0.469 182 W N 3.302 124.560 121.300 -0.069 0.000 2.429 182 W HA 0.749 5.410 4.660 0.001 0.000 0.314 182 W C 0.100 176.627 176.519 0.012 0.000 1.062 182 W CA -0.122 57.207 57.345 -0.027 0.000 1.211 182 W CB 1.585 30.976 29.460 -0.115 0.000 1.305 182 W HN 0.738 nan 8.180 nan 0.000 0.476 183 A N 2.662 125.643 122.820 0.269 0.000 2.609 183 A HA 0.705 5.025 4.320 0.001 0.000 0.291 183 A C -1.189 176.495 177.584 0.166 0.000 1.096 183 A CA -1.254 50.869 52.037 0.144 0.000 0.684 183 A CB 1.428 20.417 19.000 -0.019 0.000 1.282 183 A HN 0.508 nan 8.150 nan 0.000 0.412 184 K N 0.224 120.678 120.400 0.090 0.000 2.205 184 K HA 0.540 4.860 4.320 0.001 0.000 0.279 184 K C -1.435 175.214 176.600 0.082 0.000 1.027 184 K CA -0.452 55.885 56.287 0.083 0.000 0.932 184 K CB 1.517 34.048 32.500 0.052 0.000 1.032 184 K HN 0.422 nan 8.250 nan 0.000 0.466 185 L N 2.320 123.599 121.223 0.092 0.000 2.356 185 L HA 0.250 4.591 4.340 0.001 0.000 0.277 185 L C -1.078 175.842 176.870 0.083 0.000 0.996 185 L CA -0.400 54.503 54.840 0.105 0.000 0.822 185 L CB 1.592 43.724 42.059 0.121 0.000 1.256 185 L HN 0.476 nan 8.230 nan 0.000 0.413 186 D N 3.564 124.014 120.400 0.083 0.000 2.441 186 D HA 0.378 5.019 4.640 0.001 0.000 0.221 186 D C 0.894 177.235 176.300 0.070 0.000 1.156 186 D CA 0.731 54.768 54.000 0.062 0.000 0.896 186 D CB 1.366 42.196 40.800 0.050 0.000 1.028 186 D HN 0.755 nan 8.370 nan 0.000 0.509 187 E N 2.265 122.502 120.200 0.061 0.000 2.042 187 E HA 0.125 4.475 4.350 0.001 0.000 0.189 187 E C 1.347 177.975 176.600 0.047 0.000 0.974 187 E CA 1.711 58.149 56.400 0.064 0.000 0.806 187 E CB -0.597 29.134 29.700 0.052 0.000 0.769 187 E HN 0.627 nan 8.360 nan 0.000 0.451 188 D N -3.038 117.383 120.400 0.035 0.000 2.167 188 D HA 0.267 4.907 4.640 0.001 0.000 0.191 188 D C 1.996 178.308 176.300 0.021 0.000 1.452 188 D CA 0.999 55.015 54.000 0.027 0.000 1.235 188 D CB -0.770 40.044 40.800 0.024 0.000 2.541 188 D HN 0.628 nan 8.370 nan 0.000 0.275 189 G N -0.419 108.392 108.800 0.019 0.000 2.576 189 G HA2 0.374 4.334 3.960 0.001 0.000 0.210 189 G HA3 0.374 4.334 3.960 0.001 0.000 0.210 189 G C 1.021 175.929 174.900 0.014 0.000 1.143 189 G CA 1.197 46.306 45.100 0.015 0.000 0.819 189 G HN 0.735 nan 8.290 nan 0.000 0.534 190 R N 0.163 120.673 120.500 0.016 0.000 2.817 190 R HA 0.372 4.713 4.340 0.001 0.000 0.268 190 R C -2.283 174.030 176.300 0.021 0.000 1.027 190 R CA -0.844 55.265 56.100 0.016 0.000 0.928 190 R CB 0.533 30.839 30.300 0.011 0.000 1.228 190 R HN -0.094 nan 8.270 nan 0.000 0.469 191 D N 0.955 121.368 120.400 0.021 0.000 2.280 191 D HA 0.265 4.905 4.640 0.001 0.000 0.243 191 D C -0.833 175.482 176.300 0.026 0.000 1.129 191 D CA 0.091 54.108 54.000 0.028 0.000 0.848 191 D CB 1.054 41.870 40.800 0.026 0.000 1.107 191 D HN 0.285 nan 8.370 nan 0.000 0.471 192 E N 2.395 122.614 120.200 0.031 0.000 2.277 192 E HA 0.363 4.714 4.350 0.001 0.000 0.266 192 E C -0.138 176.490 176.600 0.046 0.000 0.901 192 E CA -0.962 55.455 56.400 0.027 0.000 0.782 192 E CB 2.148 31.857 29.700 0.015 0.000 1.228 192 E HN 0.445 nan 8.360 nan 0.000 0.424 193 I N 2.804 123.404 120.570 0.051 0.000 2.471 193 I HA 0.100 4.270 4.170 0.001 0.000 0.286 193 I C 0.606 176.798 176.117 0.124 0.000 1.079 193 I CA 0.179 61.541 61.300 0.104 0.000 1.398 193 I CB 0.266 38.322 38.000 0.093 0.000 1.403 193 I HN 0.016 nan 8.210 nan 0.000 0.530 194 R N 4.164 124.756 120.500 0.153 0.000 2.867 194 R HA 0.674 5.015 4.340 0.001 0.000 0.268 194 R C -0.367 175.875 176.300 -0.097 0.000 1.014 194 R CA -1.050 55.041 56.100 -0.016 0.000 0.946 194 R CB 1.746 31.913 30.300 -0.221 0.000 1.208 194 R HN 0.716 nan 8.270 nan 0.000 0.477 195 G N 0.699 109.165 108.800 -0.558 0.000 2.416 195 G HA2 0.685 4.646 3.960 0.001 0.000 0.329 195 G HA3 0.685 4.646 3.960 0.001 0.000 0.329 195 G C -1.269 173.010 174.900 -1.034 0.000 1.173 195 G CA -0.309 44.187 45.100 -1.007 0.000 0.929 195 G HN 0.241 nan 8.290 nan 0.000 0.475 196 F N 0.751 120.352 119.950 -0.581 0.000 2.547 196 F HA 0.433 4.961 4.527 0.001 0.000 0.316 196 F C 0.251 175.839 175.800 -0.352 0.000 1.121 196 F CA -0.745 57.014 58.000 -0.401 0.000 0.911 196 F CB 2.372 41.169 39.000 -0.338 0.000 1.179 196 F HN 0.187 nan 8.300 nan 0.000 0.443 197 I N 5.110 125.587 120.570 -0.156 0.000 2.337 197 I HA 0.254 4.424 4.170 0.001 0.000 0.291 197 I C -0.854 175.209 176.117 -0.089 0.000 1.046 197 I CA -0.303 60.879 61.300 -0.198 0.000 1.324 197 I CB 0.525 38.295 38.000 -0.382 0.000 1.409 197 I HN 0.339 nan 8.210 nan 0.000 0.494 198 L N 7.115 128.314 121.223 -0.039 0.000 2.334 198 L HA 0.467 4.807 4.340 0.001 0.000 0.273 198 L C 0.055 176.969 176.870 0.074 0.000 1.013 198 L CA -0.401 54.425 54.840 -0.022 0.000 0.816 198 L CB 1.383 43.373 42.059 -0.115 0.000 1.278 198 L HN 0.493 nan 8.230 nan 0.000 0.431 199 E N 1.152 121.371 120.200 0.031 0.000 2.212 199 E HA 0.323 4.673 4.350 0.001 0.000 0.270 199 E C -0.908 175.727 176.600 0.059 0.000 0.956 199 E CA -1.082 55.343 56.400 0.041 0.000 0.825 199 E CB 2.042 31.713 29.700 -0.049 0.000 1.167 199 E HN 0.346 nan 8.360 nan 0.000 0.400 200 K N 0.219 120.708 120.400 0.148 0.000 2.355 200 K HA 0.113 4.434 4.320 0.001 0.000 0.270 200 K C 0.782 177.390 176.600 0.013 0.000 1.003 200 K CA 1.101 57.483 56.287 0.157 0.000 0.957 200 K CB 0.246 32.862 32.500 0.192 0.000 0.939 200 K HN 0.717 nan 8.250 nan 0.000 0.482 201 G N 2.283 111.077 108.800 -0.010 0.000 2.241 201 G HA2 -0.317 3.644 3.960 0.001 0.000 0.244 201 G HA3 -0.317 3.644 3.960 0.001 0.000 0.244 201 G C 0.359 175.238 174.900 -0.035 0.000 0.998 201 G CA 0.042 45.131 45.100 -0.019 0.000 0.621 201 G HN 0.864 nan 8.290 nan 0.000 0.519 202 C N 3.503 122.770 119.300 -0.056 0.000 2.538 202 C HA 0.456 4.917 4.460 0.001 0.000 0.408 202 C C 1.492 176.443 174.990 -0.065 0.000 1.421 202 C CA 0.281 59.267 59.018 -0.055 0.000 1.642 202 C CB -0.753 26.935 27.740 -0.087 0.000 2.553 202 C HN 0.763 nan 8.230 nan 0.000 0.604 203 K N 5.563 125.943 120.400 -0.032 0.000 2.350 203 K HA 0.476 4.796 4.320 0.001 0.000 0.279 203 K C 0.991 177.561 176.600 -0.049 0.000 1.027 203 K CA 0.269 56.534 56.287 -0.036 0.000 0.969 203 K CB 0.446 32.934 32.500 -0.019 0.000 0.954 203 K HN 1.473 nan 8.250 nan 0.000 0.474 204 G N 1.433 110.197 108.800 -0.060 0.000 2.217 204 G HA2 -0.240 3.720 3.960 0.001 0.000 0.246 204 G HA3 -0.240 3.720 3.960 0.001 0.000 0.246 204 G C -0.485 174.349 174.900 -0.109 0.000 0.990 204 G CA 0.106 45.163 45.100 -0.072 0.000 0.627 204 G HN 0.562 nan 8.290 nan 0.000 0.522 205 L N 3.145 124.281 121.223 -0.145 0.000 2.259 205 L HA 0.775 5.115 4.340 0.001 0.000 0.288 205 L C 0.278 177.041 176.870 -0.178 0.000 1.051 205 L CA -0.795 53.908 54.840 -0.229 0.000 0.824 205 L CB 0.865 42.702 42.059 -0.371 0.000 1.206 205 L HN 0.252 nan 8.230 nan 0.000 0.429 206 S N 3.582 119.201 115.700 -0.135 0.000 2.638 206 S HA 0.915 5.386 4.470 0.001 0.000 0.298 206 S C -0.062 174.509 174.600 -0.048 0.000 1.111 206 S CA -0.356 57.801 58.200 -0.072 0.000 1.027 206 S CB 1.854 65.028 63.200 -0.045 0.000 1.064 206 S HN 0.836 nan 8.310 nan 0.000 0.525 207 A N 2.067 124.899 122.820 0.019 0.000 3.422 207 A HA 0.523 4.844 4.320 0.001 0.000 0.271 207 A C -2.937 174.684 177.584 0.061 0.000 1.104 207 A CA -1.137 50.947 52.037 0.078 0.000 0.899 207 A CB 0.086 19.216 19.000 0.217 0.000 1.309 207 A HN 0.544 nan 8.150 nan 0.000 0.580 208 P HA 0.447 nan 4.420 nan 0.000 0.274 208 P C 0.340 177.646 177.300 0.011 0.000 1.237 208 P CA 0.109 63.226 63.100 0.029 0.000 0.793 208 P CB 1.142 32.852 31.700 0.018 0.000 0.977 209 A N 2.313 125.138 122.820 0.008 0.000 2.313 209 A HA 0.475 4.796 4.320 0.001 0.000 0.261 209 A C 0.218 177.723 177.584 -0.132 0.000 1.090 209 A CA -0.515 51.463 52.037 -0.097 0.000 0.807 209 A CB -0.238 18.632 19.000 -0.217 0.000 1.055 209 A HN 0.508 nan 8.150 nan 0.000 0.492 210 I N 0.508 120.950 120.570 -0.213 0.000 2.378 210 I HA 0.356 4.527 4.170 0.001 0.000 0.291 210 I C -0.492 175.462 176.117 -0.272 0.000 0.992 210 I CA -0.117 61.087 61.300 -0.159 0.000 1.154 210 I CB 1.439 39.376 38.000 -0.104 0.000 1.315 210 I HN 0.725 nan 8.210 nan 0.000 0.448 211 H N 2.871 121.946 119.070 0.008 0.000 2.621 211 H HA 0.608 5.164 4.556 0.001 0.000 0.360 211 H C 0.577 175.912 175.328 0.012 0.000 1.163 211 H CA -0.063 55.991 56.048 0.010 0.000 1.194 211 H CB 1.997 31.762 29.762 0.006 0.000 1.649 211 H HN 0.783 nan 8.280 nan 0.000 0.532 212 G N 1.579 110.460 108.800 0.136 0.000 2.171 212 G HA2 -0.260 3.701 3.960 0.001 0.000 0.238 212 G HA3 -0.260 3.701 3.960 0.001 0.000 0.238 212 G C -0.340 174.589 174.900 0.049 0.000 1.039 212 G CA -0.425 44.718 45.100 0.071 0.000 0.759 212 G HN 0.487 nan 8.290 nan 0.000 0.501 213 K N -0.149 120.272 120.400 0.034 0.000 2.350 213 K HA 0.394 4.714 4.320 0.001 0.000 0.279 213 K C 1.572 178.174 176.600 0.004 0.000 1.027 213 K CA -0.181 56.132 56.287 0.043 0.000 0.969 213 K CB 1.776 34.303 32.500 0.045 0.000 0.954 213 K HN 0.019 nan 8.250 nan 0.000 0.474 214 V N 1.704 121.642 119.914 0.040 0.000 2.548 214 V HA -0.060 4.061 4.120 0.001 0.000 0.249 214 V C 1.050 177.179 176.094 0.058 0.000 1.055 214 V CA 1.567 63.890 62.300 0.039 0.000 1.065 214 V CB -0.143 31.717 31.823 0.062 0.000 0.681 214 V HN 0.971 nan 8.190 nan 0.000 0.462 215 G N -2.213 106.633 108.800 0.076 0.000 2.694 215 G HA2 0.539 4.499 3.960 0.001 0.000 0.290 215 G HA3 0.539 4.499 3.960 0.001 0.000 0.290 215 G C -0.426 174.539 174.900 0.110 0.000 1.386 215 G CA -0.795 44.392 45.100 0.145 0.000 0.872 215 G HN 0.089 nan 8.290 nan 0.000 0.475 216 L N -0.655 120.665 121.223 0.161 0.000 3.737 216 L HA -0.236 4.105 4.340 0.001 0.000 0.418 216 L C 2.174 179.055 176.870 0.018 0.000 1.216 216 L CA 0.148 55.042 54.840 0.089 0.000 0.915 216 L CB -0.877 41.211 42.059 0.049 0.000 1.834 216 L HN 0.684 nan 8.230 nan 0.000 0.943 217 R N 0.342 120.806 120.500 -0.059 0.000 2.148 217 R HA -0.059 4.281 4.340 0.001 0.000 0.227 217 R C 2.209 178.423 176.300 -0.143 0.000 1.103 217 R CA 1.303 57.267 56.100 -0.227 0.000 0.983 217 R CB -0.115 29.780 30.300 -0.675 0.000 0.874 217 R HN 0.600 nan 8.270 nan 0.000 0.451 218 A N 1.073 123.839 122.820 -0.091 0.000 2.172 218 A HA -0.049 4.272 4.320 0.001 0.000 0.216 218 A C 0.973 178.468 177.584 -0.147 0.000 1.154 218 A CA 0.731 52.664 52.037 -0.174 0.000 0.701 218 A CB -0.131 18.597 19.000 -0.453 0.000 0.789 218 A HN 0.327 nan 8.150 nan 0.000 0.465 219 S N -0.891 114.764 115.700 -0.076 0.000 2.565 219 S HA 0.644 5.114 4.470 0.001 0.000 0.290 219 S C -0.559 174.059 174.600 0.030 0.000 1.150 219 S CA -0.763 57.439 58.200 0.003 0.000 1.058 219 S CB 1.315 64.525 63.200 0.017 0.000 1.032 219 S HN 0.359 nan 8.310 nan 0.000 0.510 220 I N 2.445 123.057 120.570 0.070 0.000 2.331 220 I HA 0.538 4.708 4.170 0.001 0.000 0.292 220 I C -0.409 175.743 176.117 0.060 0.000 0.998 220 I CA 0.403 61.731 61.300 0.047 0.000 1.267 220 I CB 1.325 39.364 38.000 0.065 0.000 1.386 220 I HN 0.873 nan 8.210 nan 0.000 0.476 221 T N 5.387 119.958 114.554 0.029 0.000 2.907 221 T HA 0.916 5.267 4.350 0.001 0.000 0.292 221 T C -0.142 174.568 174.700 0.017 0.000 1.043 221 T CA -0.564 61.577 62.100 0.068 0.000 1.003 221 T CB 1.696 70.638 68.868 0.123 0.000 1.084 221 T HN 0.873 nan 8.240 nan 0.000 0.483 222 G N 0.587 109.416 108.800 0.048 0.000 2.706 222 G HA2 0.631 4.591 3.960 0.001 0.000 0.307 222 G HA3 0.631 4.591 3.960 0.001 0.000 0.307 222 G C -1.680 173.231 174.900 0.017 0.000 1.307 222 G CA -0.856 44.249 45.100 0.007 0.000 0.790 222 G HN 0.634 nan 8.290 nan 0.000 0.503 223 E N -0.876 119.321 120.200 -0.004 0.000 2.250 223 E HA 0.568 4.919 4.350 0.001 0.000 0.265 223 E C -0.693 175.940 176.600 0.056 0.000 1.033 223 E CA -0.501 55.896 56.400 -0.005 0.000 0.888 223 E CB 2.363 32.034 29.700 -0.049 0.000 1.151 223 E HN 0.252 nan 8.360 nan 0.000 0.412 224 I N 1.813 122.416 120.570 0.056 0.000 2.382 224 I HA 0.226 4.396 4.170 0.001 0.000 0.286 224 I C -0.950 175.154 176.117 -0.021 0.000 1.002 224 I CA -0.884 60.444 61.300 0.046 0.000 1.135 224 I CB 1.564 39.620 38.000 0.094 0.000 1.288 224 I HN 0.153 nan 8.210 nan 0.000 0.448 225 V N 7.816 127.695 119.914 -0.058 0.000 2.347 225 V HA 0.434 4.555 4.120 0.001 0.000 0.280 225 V C -0.109 175.925 176.094 -0.101 0.000 1.021 225 V CA -0.434 61.825 62.300 -0.068 0.000 0.847 225 V CB 1.634 33.423 31.823 -0.057 0.000 0.990 225 V HN 0.478 nan 8.190 nan 0.000 0.444 226 L N 4.520 125.687 121.223 -0.094 0.000 2.342 226 L HA 0.586 4.926 4.340 0.001 0.000 0.276 226 L C -0.856 175.963 176.870 -0.085 0.000 0.997 226 L CA -0.324 54.449 54.840 -0.112 0.000 0.838 226 L CB 1.859 43.838 42.059 -0.133 0.000 1.224 226 L HN 0.526 nan 8.230 nan 0.000 0.416 227 D N 4.864 125.217 120.400 -0.077 0.000 2.438 227 D HA 0.175 4.815 4.640 0.001 0.000 0.257 227 D C -0.217 176.054 176.300 -0.049 0.000 1.148 227 D CA -0.246 53.720 54.000 -0.056 0.000 0.902 227 D CB 0.631 41.402 40.800 -0.047 0.000 1.062 227 D HN 0.555 nan 8.370 nan 0.000 0.518 228 E N 1.003 121.175 120.200 -0.047 0.000 2.291 228 E HA -0.184 4.166 4.350 0.001 0.000 0.181 228 E C -0.844 175.746 176.600 -0.018 0.000 1.480 228 E CA 0.464 56.848 56.400 -0.027 0.000 0.674 228 E CB -1.098 28.594 29.700 -0.015 0.000 1.108 228 E HN 0.452 nan 8.360 nan 0.000 0.357 229 A N 1.860 124.652 122.820 -0.047 0.000 2.274 229 A HA 0.561 4.882 4.320 0.001 0.000 0.309 229 A C -0.470 177.114 177.584 0.001 0.000 1.226 229 A CA -0.508 51.504 52.037 -0.042 0.000 0.853 229 A CB 0.435 19.364 19.000 -0.118 0.000 1.146 229 A HN 0.337 nan 8.150 nan 0.000 0.518 230 F N 3.713 123.620 119.950 -0.073 0.000 2.410 230 F HA 0.533 5.060 4.527 0.001 0.000 0.348 230 F C -0.414 175.373 175.800 -0.021 0.000 1.106 230 F CA -0.251 57.723 58.000 -0.042 0.000 1.163 230 F CB 1.152 40.135 39.000 -0.029 0.000 1.129 230 F HN 0.281 nan 8.300 nan 0.000 0.516 231 V N 8.361 127.744 119.914 -0.885 0.000 2.443 231 V HA 0.368 4.488 4.120 0.001 0.000 0.293 231 V C -2.137 173.430 176.094 -0.877 0.000 1.021 231 V CA -1.808 60.115 62.300 -0.627 0.000 0.848 231 V CB 1.428 33.126 31.823 -0.208 0.000 0.998 231 V HN 0.652 nan 8.190 nan 0.000 0.424 232 P HA 0.167 nan 4.420 nan 0.000 0.272 232 P C 0.706 177.992 177.300 -0.023 0.000 1.230 232 P CA -0.083 62.866 63.100 -0.251 0.000 0.788 232 P CB 1.197 32.936 31.700 0.066 0.000 0.949 233 E N 1.513 121.747 120.200 0.056 0.000 2.147 233 E HA -0.229 4.121 4.350 0.001 0.000 0.199 233 E C 1.584 178.240 176.600 0.093 0.000 1.005 233 E CA 1.566 58.040 56.400 0.124 0.000 0.810 233 E CB -0.225 29.517 29.700 0.071 0.000 0.736 233 E HN 0.667 nan 8.360 nan 0.000 0.460 234 E N 0.064 120.304 120.200 0.066 0.000 2.409 234 E HA -0.136 4.215 4.350 0.001 0.000 0.198 234 E C 0.691 177.323 176.600 0.053 0.000 1.024 234 E CA 0.669 57.102 56.400 0.056 0.000 0.861 234 E CB -0.069 29.671 29.700 0.066 0.000 0.788 234 E HN 0.005 nan 8.360 nan 0.000 0.521 235 N N 0.736 119.461 118.700 0.042 0.000 2.328 235 N HA 0.258 4.998 4.740 0.001 0.000 0.247 235 N C -0.636 174.829 175.510 -0.074 0.000 1.165 235 N CA -0.147 52.913 53.050 0.017 0.000 0.873 235 N CB 0.775 39.285 38.487 0.039 0.000 1.125 235 N HN 0.310 nan 8.380 nan 0.000 0.513 236 I N 0.507 120.985 120.570 -0.153 0.000 2.498 236 I HA 0.304 4.474 4.170 0.001 0.000 0.301 236 I C -0.523 175.367 176.117 -0.378 0.000 0.984 236 I CA -0.824 60.184 61.300 -0.487 0.000 1.204 236 I CB 1.434 39.069 38.000 -0.608 0.000 1.362 236 I HN -0.181 nan 8.210 nan 0.000 0.471 237 L N 8.947 129.887 121.223 -0.471 0.000 2.385 237 L HA 0.279 4.620 4.340 0.001 0.000 0.281 237 L C -1.479 175.228 176.870 -0.272 0.000 1.106 237 L CA -1.194 53.476 54.840 -0.283 0.000 0.856 237 L CB 0.432 42.353 42.059 -0.229 0.000 1.186 237 L HN 0.538 nan 8.230 nan 0.000 0.453 238 P HA -0.090 nan 4.420 nan 0.000 0.227 238 P C 0.601 177.705 177.300 -0.327 0.000 1.161 238 P CA 1.118 63.996 63.100 -0.371 0.000 0.788 238 P CB 0.195 31.563 31.700 -0.553 0.000 0.822 239 H N -1.209 117.873 119.070 0.020 0.000 2.550 239 H HA 0.473 5.030 4.556 0.001 0.000 0.304 239 H C -0.272 175.082 175.328 0.043 0.000 1.086 239 H CA -0.456 55.632 56.048 0.066 0.000 1.089 239 H CB 0.365 30.198 29.762 0.118 0.000 1.528 239 H HN -0.115 nan 8.280 nan 0.000 0.539 240 V N 1.519 121.409 119.914 -0.041 0.000 3.023 240 V HA 0.282 4.403 4.120 0.001 0.000 0.294 240 V C -1.696 174.299 176.094 -0.165 0.000 1.324 240 V CA -0.945 61.212 62.300 -0.239 0.000 0.979 240 V CB 2.336 33.629 31.823 -0.885 0.000 1.093 240 V HN 0.469 nan 8.190 nan 0.000 0.434 241 K N 4.314 124.640 120.400 -0.124 0.000 2.464 241 K HA 0.952 5.272 4.320 0.001 0.000 0.253 241 K C 0.080 176.645 176.600 -0.058 0.000 0.933 241 K CA 0.018 56.264 56.287 -0.068 0.000 0.801 241 K CB 2.184 34.660 32.500 -0.041 0.000 1.271 241 K HN 1.839 nan 8.250 nan 0.000 0.430 242 G N 1.135 109.920 108.800 -0.026 0.000 2.632 242 G HA2 -0.271 3.689 3.960 0.001 0.000 0.224 242 G HA3 -0.271 3.689 3.960 0.001 0.000 0.224 242 G C 0.180 175.038 174.900 -0.069 0.000 1.341 242 G CA -0.126 44.955 45.100 -0.033 0.000 0.880 242 G HN 0.434 nan 8.290 nan 0.000 0.566 243 L N 0.422 121.603 121.223 -0.070 0.000 2.043 243 L HA -0.018 4.323 4.340 0.001 0.000 0.212 243 L C 3.034 179.878 176.870 -0.045 0.000 1.075 243 L CA 2.766 57.557 54.840 -0.082 0.000 0.752 243 L CB -0.874 41.129 42.059 -0.093 0.000 0.891 243 L HN 0.705 nan 8.230 nan 0.000 0.432 244 R N -0.352 120.137 120.500 -0.018 0.000 2.174 244 R HA -0.215 4.126 4.340 0.001 0.000 0.253 244 R C 2.145 178.441 176.300 -0.007 0.000 1.165 244 R CA 1.614 57.746 56.100 0.054 0.000 0.984 244 R CB -0.651 29.653 30.300 0.006 0.000 0.873 244 R HN 0.468 nan 8.270 nan 0.000 0.456 245 G N 0.527 109.190 108.800 -0.229 0.000 2.556 245 G HA2 -0.168 3.792 3.960 0.001 0.000 0.215 245 G HA3 -0.168 3.792 3.960 0.001 0.000 0.215 245 G C -1.013 173.659 174.900 -0.380 0.000 1.258 245 G CA 0.632 45.548 45.100 -0.307 0.000 0.811 245 G HN 0.342 nan 8.290 nan 0.000 0.557 246 P HA -0.089 nan 4.420 nan 0.000 0.216 246 P C 1.566 178.838 177.300 -0.047 0.000 1.150 246 P CA 0.619 63.288 63.100 -0.718 0.000 0.837 246 P CB -0.105 31.106 31.700 -0.815 0.000 0.786 247 F N 0.326 120.202 119.950 -0.122 0.000 2.186 247 F HA -0.122 4.405 4.527 0.001 0.000 0.299 247 F C 1.951 177.791 175.800 0.066 0.000 1.090 247 F CA 1.494 59.489 58.000 -0.009 0.000 1.307 247 F CB -1.111 37.881 39.000 -0.013 0.000 1.019 247 F HN -0.150 nan 8.300 nan 0.000 0.489 248 T N -0.173 114.405 114.554 0.040 0.000 2.720 248 T HA -0.231 4.119 4.350 0.001 0.000 0.268 248 T C 2.182 176.865 174.700 -0.028 0.000 1.037 248 T CA 1.737 63.848 62.100 0.019 0.000 1.144 248 T CB -0.970 68.095 68.868 0.328 0.000 0.864 248 T HN 0.411 nan 8.240 nan 0.000 0.444 249 C N 1.018 120.359 119.300 0.069 0.000 2.432 249 C HA 0.061 4.522 4.460 0.001 0.000 0.277 249 C C 2.682 177.600 174.990 -0.120 0.000 1.249 249 C CA 0.327 59.354 59.018 0.014 0.000 1.725 249 C CB -1.430 26.369 27.740 0.098 0.000 2.028 249 C HN 0.511 nan 8.230 nan 0.000 0.477 250 L N 1.263 122.403 121.223 -0.140 0.000 2.093 250 L HA -0.108 4.232 4.340 0.001 0.000 0.208 250 L C 2.440 179.228 176.870 -0.136 0.000 1.085 250 L CA 1.630 56.406 54.840 -0.108 0.000 0.755 250 L CB -0.812 41.252 42.059 0.009 0.000 0.904 250 L HN 0.428 nan 8.230 nan 0.000 0.435 251 N N -0.299 118.201 118.700 -0.333 0.000 2.084 251 N HA -0.224 4.517 4.740 0.001 0.000 0.190 251 N C 2.058 177.520 175.510 -0.081 0.000 1.030 251 N CA 1.698 54.561 53.050 -0.312 0.000 0.849 251 N CB -0.074 38.072 38.487 -0.567 0.000 1.012 251 N HN 0.132 nan 8.380 nan 0.000 0.423 252 S N -0.796 114.882 115.700 -0.036 0.000 2.368 252 S HA -0.024 4.446 4.470 0.001 0.000 0.225 252 S C 1.982 176.727 174.600 0.242 0.000 1.030 252 S CA 1.315 59.592 58.200 0.128 0.000 0.999 252 S CB -0.729 62.543 63.200 0.121 0.000 0.844 252 S HN 0.508 nan 8.310 nan 0.000 0.459 253 A N 1.532 124.423 122.820 0.118 0.000 1.902 253 A HA -0.052 4.268 4.320 0.001 0.000 0.217 253 A C 2.260 179.894 177.584 0.083 0.000 1.181 253 A CA 1.458 53.563 52.037 0.114 0.000 0.623 253 A CB -0.607 18.395 19.000 0.004 0.000 0.818 253 A HN 0.623 nan 8.150 nan 0.000 0.443 254 R N -2.225 118.310 120.500 0.058 0.000 2.092 254 R HA -0.125 4.215 4.340 0.001 0.000 0.231 254 R C 2.132 178.445 176.300 0.021 0.000 1.119 254 R CA 1.535 57.649 56.100 0.023 0.000 0.970 254 R CB -0.531 29.775 30.300 0.010 0.000 0.864 254 R HN 0.731 nan 8.270 nan 0.000 0.440 255 Y N 0.771 121.060 120.300 -0.017 0.000 2.114 255 Y HA -0.223 4.328 4.550 0.001 0.000 0.282 255 Y C 2.235 178.151 175.900 0.027 0.000 1.165 255 Y CA 1.839 59.947 58.100 0.013 0.000 1.148 255 Y CB -0.575 37.903 38.460 0.030 0.000 0.972 255 Y HN 0.053 nan 8.280 nan 0.000 0.504 256 G N 0.204 108.897 108.800 -0.178 0.000 2.408 256 G HA2 -0.216 3.744 3.960 0.001 0.000 0.217 256 G HA3 -0.216 3.744 3.960 0.001 0.000 0.217 256 G C 1.646 176.400 174.900 -0.242 0.000 1.150 256 G CA 1.155 45.965 45.100 -0.483 0.000 0.776 256 G HN 0.517 nan 8.290 nan 0.000 0.542 257 I N 1.387 121.880 120.570 -0.127 0.000 2.315 257 I HA -0.130 4.041 4.170 0.001 0.000 0.248 257 I C 3.246 179.294 176.117 -0.115 0.000 1.117 257 I CA 0.792 62.038 61.300 -0.091 0.000 1.404 257 I CB -0.133 37.831 38.000 -0.059 0.000 1.071 257 I HN 0.228 nan 8.210 nan 0.000 0.419 258 A N 0.322 123.045 122.820 -0.162 0.000 1.908 258 A HA -0.237 4.084 4.320 0.001 0.000 0.218 258 A C 1.978 179.398 177.584 -0.273 0.000 1.181 258 A CA 1.594 53.496 52.037 -0.224 0.000 0.627 258 A CB -1.029 17.814 19.000 -0.261 0.000 0.818 258 A HN 0.531 nan 8.150 nan 0.000 0.445 259 W N -0.451 120.620 121.300 -0.381 0.000 2.407 259 W HA 0.097 4.758 4.660 0.001 0.000 0.305 259 W C 2.598 178.987 176.519 -0.216 0.000 1.196 259 W CA 1.203 58.361 57.345 -0.312 0.000 1.311 259 W CB -0.738 28.484 29.460 -0.397 0.000 1.135 259 W HN 0.350 nan 8.180 nan 0.000 0.514 260 G N 0.046 108.865 108.800 0.031 0.000 2.422 260 G HA2 -0.213 3.747 3.960 0.001 0.000 0.218 260 G HA3 -0.213 3.747 3.960 0.001 0.000 0.218 260 G C 1.652 176.541 174.900 -0.019 0.000 1.146 260 G CA 1.355 46.457 45.100 0.004 0.000 0.769 260 G HN 0.296 nan 8.290 nan 0.000 0.547 261 A N 0.596 123.385 122.820 -0.053 0.000 1.933 261 A HA 0.085 4.406 4.320 0.001 0.000 0.218 261 A C 2.391 179.926 177.584 -0.083 0.000 1.175 261 A CA 1.203 53.202 52.037 -0.065 0.000 0.628 261 A CB -0.349 18.605 19.000 -0.078 0.000 0.814 261 A HN 0.371 nan 8.150 nan 0.000 0.444 262 L N -0.810 120.356 121.223 -0.096 0.000 2.201 262 L HA -0.091 4.250 4.340 0.001 0.000 0.212 262 L C 2.757 179.587 176.870 -0.067 0.000 1.105 262 L CA 0.784 55.564 54.840 -0.100 0.000 0.775 262 L CB -0.765 41.210 42.059 -0.141 0.000 0.913 262 L HN 0.488 nan 8.230 nan 0.000 0.440 263 G N -0.033 108.746 108.800 -0.036 0.000 2.421 263 G HA2 -0.260 3.700 3.960 0.001 0.000 0.216 263 G HA3 -0.260 3.700 3.960 0.001 0.000 0.216 263 G C 1.786 176.620 174.900 -0.110 0.000 1.171 263 G CA 0.812 45.895 45.100 -0.029 0.000 0.775 263 G HN 0.452 nan 8.290 nan 0.000 0.543 264 A N 1.055 123.788 122.820 -0.144 0.000 1.933 264 A HA 0.303 4.624 4.320 0.001 0.000 0.218 264 A C 2.796 180.160 177.584 -0.367 0.000 1.175 264 A CA 2.145 53.967 52.037 -0.359 0.000 0.628 264 A CB -0.703 18.170 19.000 -0.211 0.000 0.814 264 A HN 0.777 nan 8.150 nan 0.000 0.444 265 A N -0.123 122.582 122.820 -0.193 0.000 1.902 265 A HA -0.184 4.136 4.320 0.001 0.000 0.217 265 A C 1.915 179.446 177.584 -0.088 0.000 1.181 265 A CA 1.720 53.678 52.037 -0.132 0.000 0.623 265 A CB -0.530 18.407 19.000 -0.104 0.000 0.818 265 A HN 0.626 nan 8.150 nan 0.000 0.443 266 E N -0.209 119.929 120.200 -0.104 0.000 2.051 266 E HA -0.128 4.223 4.350 0.001 0.000 0.192 266 E C 2.359 178.710 176.600 -0.415 0.000 0.991 266 E CA 1.343 57.643 56.400 -0.167 0.000 0.799 266 E CB -0.158 29.433 29.700 -0.183 0.000 0.748 266 E HN 0.576 nan 8.360 nan 0.000 0.449 267 S N 0.273 115.789 115.700 -0.307 0.000 2.359 267 S HA -0.206 4.264 4.470 0.001 0.000 0.224 267 S C 2.173 176.690 174.600 -0.137 0.000 1.035 267 S CA 1.116 59.183 58.200 -0.221 0.000 1.018 267 S CB -0.368 62.691 63.200 -0.234 0.000 0.876 267 S HN 0.411 nan 8.310 nan 0.000 0.448 268 C N 0.139 119.340 119.300 -0.165 0.000 2.429 268 C HA -0.093 4.368 4.460 0.001 0.000 0.277 268 C C 2.276 177.313 174.990 0.078 0.000 1.262 268 C CA 0.292 59.282 59.018 -0.046 0.000 1.733 268 C CB -1.478 26.224 27.740 -0.064 0.000 2.010 268 C HN 0.858 nan 8.230 nan 0.000 0.483 269 W N 1.469 122.703 121.300 -0.109 0.000 2.333 269 W HA -0.143 4.517 4.660 0.001 0.000 0.316 269 W C 2.456 179.053 176.519 0.131 0.000 1.215 269 W CA 1.855 59.195 57.345 -0.008 0.000 1.278 269 W CB -1.257 28.199 29.460 -0.007 0.000 1.154 269 W HN 0.533 nan 8.180 nan 0.000 0.486 270 H N -0.780 118.232 119.070 -0.096 0.000 2.387 270 H HA -0.150 4.407 4.556 0.001 0.000 0.299 270 H C 2.306 177.581 175.328 -0.090 0.000 1.090 270 H CA 1.627 57.545 56.048 -0.215 0.000 1.332 270 H CB -0.187 29.496 29.762 -0.132 0.000 1.386 270 H HN 0.158 nan 8.280 nan 0.000 0.516 271 I N 0.731 121.358 120.570 0.095 0.000 2.202 271 I HA -0.245 3.925 4.170 0.001 0.000 0.242 271 I C 2.807 178.957 176.117 0.055 0.000 1.091 271 I CA 0.839 62.173 61.300 0.056 0.000 1.368 271 I CB -0.248 37.762 38.000 0.018 0.000 1.058 271 I HN 0.281 nan 8.210 nan 0.000 0.410 272 A N 0.662 123.515 122.820 0.054 0.000 1.908 272 A HA -0.262 4.058 4.320 0.001 0.000 0.218 272 A C 2.439 180.089 177.584 0.109 0.000 1.181 272 A CA 1.884 53.961 52.037 0.067 0.000 0.627 272 A CB -0.670 18.384 19.000 0.090 0.000 0.818 272 A HN 0.364 nan 8.150 nan 0.000 0.445 273 R N -1.000 119.539 120.500 0.065 0.000 2.070 273 R HA -0.209 4.131 4.340 0.001 0.000 0.233 273 R C 2.415 178.685 176.300 -0.049 0.000 1.137 273 R CA 1.951 58.033 56.100 -0.030 0.000 0.945 273 R CB -0.324 29.846 30.300 -0.217 0.000 0.845 273 R HN 0.499 nan 8.270 nan 0.000 0.430 274 Q N -0.327 119.453 119.800 -0.034 0.000 2.124 274 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 274 Q C 1.747 177.758 176.000 0.019 0.000 0.977 274 Q CA 1.927 57.714 55.803 -0.026 0.000 0.850 274 Q CB -0.550 28.186 28.738 -0.004 0.000 0.901 274 Q HN 0.536 nan 8.270 nan 0.000 0.429 275 Y N -0.087 120.183 120.300 -0.051 0.000 2.128 275 Y HA -0.214 4.337 4.550 0.001 0.000 0.284 275 Y C 1.933 177.810 175.900 -0.039 0.000 1.154 275 Y CA 2.074 60.148 58.100 -0.043 0.000 1.149 275 Y CB -0.192 38.236 38.460 -0.053 0.000 0.976 275 Y HN 0.111 nan 8.280 nan 0.000 0.505 276 V N -1.766 118.206 119.914 0.098 0.000 2.871 276 V HA -0.142 3.978 4.120 0.001 0.000 0.256 276 V C 2.024 178.070 176.094 -0.082 0.000 1.082 276 V CA 1.416 63.719 62.300 0.005 0.000 1.105 276 V CB -0.842 31.034 31.823 0.089 0.000 0.713 276 V HN 0.467 nan 8.190 nan 0.000 0.473 277 L N 0.221 121.392 121.223 -0.086 0.000 2.056 277 L HA -0.062 4.278 4.340 0.001 0.000 0.207 277 L C 2.470 179.270 176.870 -0.118 0.000 1.078 277 L CA 1.919 56.698 54.840 -0.102 0.000 0.749 277 L CB -0.600 41.395 42.059 -0.107 0.000 0.901 277 L HN 0.306 nan 8.230 nan 0.000 0.433 278 D N -0.731 119.580 120.400 -0.149 0.000 2.194 278 D HA -0.026 4.614 4.640 0.001 0.000 0.204 278 D C 0.999 177.177 176.300 -0.203 0.000 0.964 278 D CA 0.707 54.612 54.000 -0.157 0.000 0.846 278 D CB 0.109 40.820 40.800 -0.150 0.000 0.962 278 D HN 0.044 nan 8.370 nan 0.000 0.490 279 R N 1.296 121.608 120.500 -0.313 0.000 2.560 279 R HA 0.355 4.696 4.340 0.001 0.000 0.270 279 R C 0.537 176.737 176.300 -0.166 0.000 1.074 279 R CA -0.189 55.731 56.100 -0.300 0.000 1.140 279 R CB 0.899 30.896 30.300 -0.505 0.000 1.073 279 R HN -0.067 nan 8.270 nan 0.000 0.527 280 K N 1.676 122.007 120.400 -0.116 0.000 2.328 280 K HA 0.457 4.777 4.320 0.001 0.000 0.246 280 K C -0.629 175.944 176.600 -0.046 0.000 0.955 280 K CA -0.970 55.276 56.287 -0.069 0.000 0.817 280 K CB 2.253 34.721 32.500 -0.053 0.000 1.208 280 K HN 0.390 nan 8.250 nan 0.000 0.432 281 Q N -1.025 118.758 119.800 -0.028 0.000 2.426 281 Q HA 0.420 4.760 4.340 0.001 0.000 0.278 281 Q C -0.735 175.260 176.000 -0.009 0.000 1.007 281 Q CA -0.252 55.544 55.803 -0.012 0.000 0.850 281 Q CB 1.282 30.019 28.738 -0.001 0.000 1.427 281 Q HN 0.613 nan 8.270 nan 0.000 0.391 282 F N 1.437 121.385 119.950 -0.003 0.000 2.863 282 F HA -0.013 4.514 4.527 0.001 0.000 0.223 282 F C 1.180 176.977 175.800 -0.006 0.000 1.034 282 F CA 1.964 59.962 58.000 -0.003 0.000 0.805 282 F CB -2.237 36.764 39.000 0.001 0.000 0.658 282 F HN 1.334 nan 8.300 nan 0.000 0.815 283 G N -2.529 106.265 108.800 -0.010 0.000 2.992 283 G HA2 0.446 4.406 3.960 0.001 0.000 0.229 283 G HA3 0.446 4.406 3.960 0.001 0.000 0.229 283 G C 0.512 175.402 174.900 -0.017 0.000 1.969 283 G CA 1.609 46.702 45.100 -0.012 0.000 1.603 283 G HN 2.698 nan 8.290 nan 0.000 0.573 284 R N 1.830 122.319 120.500 -0.017 0.000 2.580 284 R HA 0.801 5.142 4.340 0.001 0.000 0.267 284 R C -2.275 174.007 176.300 -0.030 0.000 1.125 284 R CA -0.407 55.680 56.100 -0.022 0.000 1.188 284 R CB -1.133 29.155 30.300 -0.019 0.000 1.155 284 R HN 0.572 nan 8.270 nan 0.000 0.586 285 P HA 0.170 nan 4.420 nan 0.000 0.272 285 P C 0.291 177.567 177.300 -0.040 0.000 1.230 285 P CA -0.564 62.506 63.100 -0.050 0.000 0.788 285 P CB 0.426 32.091 31.700 -0.057 0.000 0.949 286 L N 1.739 122.935 121.223 -0.045 0.000 2.131 286 L HA -0.155 4.186 4.340 0.001 0.000 0.210 286 L C 2.425 179.292 176.870 -0.006 0.000 1.092 286 L CA 2.123 56.954 54.840 -0.015 0.000 0.759 286 L CB -1.816 40.244 42.059 0.002 0.000 0.903 286 L HN 0.425 nan 8.230 nan 0.000 0.435 287 A N -0.600 122.207 122.820 -0.022 0.000 2.131 287 A HA -0.103 4.217 4.320 0.001 0.000 0.220 287 A C 2.407 179.980 177.584 -0.019 0.000 1.158 287 A CA 1.466 53.490 52.037 -0.022 0.000 0.665 287 A CB -0.695 18.276 19.000 -0.048 0.000 0.795 287 A HN 0.376 nan 8.150 nan 0.000 0.460 288 A N -0.254 122.554 122.820 -0.019 0.000 2.119 288 A HA 0.036 4.356 4.320 0.001 0.000 0.216 288 A C 1.139 178.718 177.584 -0.008 0.000 1.152 288 A CA 0.477 52.504 52.037 -0.016 0.000 0.708 288 A CB -0.397 18.592 19.000 -0.018 0.000 0.805 288 A HN 0.512 nan 8.150 nan 0.000 0.460 289 N N 0.385 119.084 118.700 -0.002 0.000 2.520 289 N HA 0.095 4.836 4.740 0.001 0.000 0.273 289 N C 0.728 176.241 175.510 0.004 0.000 1.155 289 N CA 0.157 53.209 53.050 0.003 0.000 0.967 289 N CB 0.723 39.216 38.487 0.010 0.000 1.092 289 N HN 0.400 nan 8.380 nan 0.000 0.457 290 Q N 2.318 122.119 119.800 0.002 0.000 2.124 290 Q HA -0.073 4.267 4.340 0.001 0.000 0.202 290 Q C 1.596 177.598 176.000 0.004 0.000 0.977 290 Q CA 1.256 57.059 55.803 0.001 0.000 0.850 290 Q CB 0.018 28.755 28.738 -0.001 0.000 0.901 290 Q HN 0.649 nan 8.270 nan 0.000 0.429 291 L N 0.174 121.400 121.223 0.006 0.000 2.046 291 L HA -0.216 4.124 4.340 0.001 0.000 0.208 291 L C 2.168 179.045 176.870 0.012 0.000 1.077 291 L CA 0.662 55.506 54.840 0.007 0.000 0.747 291 L CB -0.351 41.713 42.059 0.008 0.000 0.896 291 L HN 0.296 nan 8.230 nan 0.000 0.432 292 I N -0.399 120.182 120.570 0.018 0.000 2.179 292 I HA -0.286 3.885 4.170 0.001 0.000 0.242 292 I C 2.577 178.711 176.117 0.029 0.000 1.088 292 I CA 1.500 62.817 61.300 0.028 0.000 1.357 292 I CB -1.172 36.848 38.000 0.034 0.000 1.051 292 I HN 0.408 nan 8.210 nan 0.000 0.409 293 Q N 0.416 120.228 119.800 0.020 0.000 2.096 293 Q HA -0.265 4.075 4.340 0.001 0.000 0.204 293 Q C 2.291 178.302 176.000 0.019 0.000 0.982 293 Q CA 1.862 57.677 55.803 0.021 0.000 0.850 293 Q CB -0.171 28.573 28.738 0.010 0.000 0.901 293 Q HN 0.445 nan 8.270 nan 0.000 0.422 294 K N 1.234 121.639 120.400 0.008 0.000 2.032 294 K HA -0.209 4.112 4.320 0.001 0.000 0.209 294 K C 1.863 178.459 176.600 -0.006 0.000 1.048 294 K CA 1.556 57.843 56.287 -0.001 0.000 0.927 294 K CB 0.057 32.553 32.500 -0.006 0.000 0.712 294 K HN 0.004 nan 8.250 nan 0.000 0.441 295 K N 0.522 120.922 120.400 0.001 0.000 2.063 295 K HA -0.137 4.183 4.320 0.001 0.000 0.208 295 K C 2.150 178.748 176.600 -0.005 0.000 1.048 295 K CA 1.658 57.942 56.287 -0.005 0.000 0.928 295 K CB -0.154 32.351 32.500 0.008 0.000 0.713 295 K HN 0.184 nan 8.250 nan 0.000 0.442 296 L N 0.171 121.417 121.223 0.039 0.000 2.141 296 L HA -0.129 4.212 4.340 0.001 0.000 0.209 296 L C 2.522 179.404 176.870 0.021 0.000 1.094 296 L CA 0.825 55.723 54.840 0.097 0.000 0.763 296 L CB -0.460 41.704 42.059 0.175 0.000 0.908 296 L HN 0.217 nan 8.230 nan 0.000 0.437 297 A N -0.241 122.585 122.820 0.009 0.000 1.898 297 A HA -0.205 4.116 4.320 0.001 0.000 0.216 297 A C 1.931 179.462 177.584 -0.089 0.000 1.181 297 A CA 1.729 53.757 52.037 -0.014 0.000 0.620 297 A CB -0.403 18.598 19.000 0.002 0.000 0.819 297 A HN 0.314 nan 8.150 nan 0.000 0.442 298 D N -0.253 120.090 120.400 -0.095 0.000 2.097 298 D HA -0.142 4.498 4.640 0.001 0.000 0.195 298 D C 2.071 178.246 176.300 -0.209 0.000 0.989 298 D CA 1.431 55.359 54.000 -0.121 0.000 0.827 298 D CB -0.360 40.388 40.800 -0.087 0.000 0.966 298 D HN 0.481 nan 8.370 nan 0.000 0.456 299 M N 0.376 119.806 119.600 -0.284 0.000 2.073 299 M HA -0.232 4.248 4.480 0.001 0.000 0.258 299 M C 2.396 178.227 176.300 -0.782 0.000 1.070 299 M CA 1.510 56.516 55.300 -0.491 0.000 1.103 299 M CB -0.397 31.843 32.600 -0.600 0.000 1.321 299 M HN -0.008 nan 8.290 nan 0.000 0.405 300 Q N -0.228 119.011 119.800 -0.936 0.000 2.096 300 Q HA -0.183 4.158 4.340 0.001 0.000 0.204 300 Q C 1.777 177.537 176.000 -0.401 0.000 0.982 300 Q CA 2.286 57.553 55.803 -0.895 0.000 0.850 300 Q CB -0.030 28.524 28.738 -0.307 0.000 0.901 300 Q HN 0.493 nan 8.270 nan 0.000 0.422 301 T N 1.158 115.564 114.554 -0.247 0.000 2.674 301 T HA -0.135 4.215 4.350 0.001 0.000 0.265 301 T C 1.530 176.135 174.700 -0.158 0.000 1.039 301 T CA 1.410 63.425 62.100 -0.141 0.000 1.150 301 T CB -0.176 68.633 68.868 -0.098 0.000 0.864 301 T HN 0.336 nan 8.240 nan 0.000 0.427 302 E N 0.814 120.899 120.200 -0.190 0.000 2.106 302 E HA 0.012 4.362 4.350 0.001 0.000 0.192 302 E C 2.291 178.784 176.600 -0.180 0.000 0.984 302 E CA 0.669 56.970 56.400 -0.165 0.000 0.806 302 E CB -0.384 29.223 29.700 -0.155 0.000 0.750 302 E HN 0.516 nan 8.360 nan 0.000 0.458 303 I N 1.017 121.448 120.570 -0.233 0.000 2.252 303 I HA -0.231 3.940 4.170 0.001 0.000 0.245 303 I C 2.322 178.352 176.117 -0.146 0.000 1.102 303 I CA 1.245 62.429 61.300 -0.194 0.000 1.385 303 I CB -0.374 37.498 38.000 -0.214 0.000 1.064 303 I HN 0.053 nan 8.210 nan 0.000 0.414 304 T N 1.289 115.762 114.554 -0.135 0.000 2.746 304 T HA -0.112 4.238 4.350 0.001 0.000 0.267 304 T C 1.934 176.582 174.700 -0.087 0.000 1.039 304 T CA 1.259 63.314 62.100 -0.075 0.000 1.142 304 T CB -0.246 68.602 68.868 -0.033 0.000 0.866 304 T HN 0.234 nan 8.240 nan 0.000 0.444 305 L N 0.483 121.647 121.223 -0.098 0.000 2.109 305 L HA 0.062 4.402 4.340 0.001 0.000 0.207 305 L C 3.028 179.820 176.870 -0.130 0.000 1.086 305 L CA 1.174 55.956 54.840 -0.096 0.000 0.760 305 L CB -0.965 41.043 42.059 -0.085 0.000 0.910 305 L HN 0.343 nan 8.230 nan 0.000 0.437 306 G N 0.269 108.976 108.800 -0.156 0.000 2.418 306 G HA2 -0.216 3.745 3.960 0.001 0.000 0.217 306 G HA3 -0.216 3.745 3.960 0.001 0.000 0.217 306 G C 1.649 176.382 174.900 -0.278 0.000 1.158 306 G CA 0.519 45.498 45.100 -0.201 0.000 0.771 306 G HN 0.204 nan 8.290 nan 0.000 0.545 307 L N -0.193 120.873 121.223 -0.261 0.000 2.056 307 L HA -0.092 4.248 4.340 0.001 0.000 0.207 307 L C 3.189 179.881 176.870 -0.298 0.000 1.078 307 L CA 0.842 55.479 54.840 -0.338 0.000 0.749 307 L CB -0.292 41.647 42.059 -0.200 0.000 0.901 307 L HN 0.145 nan 8.230 nan 0.000 0.433 308 Q N -0.152 119.543 119.800 -0.175 0.000 2.124 308 Q HA -0.140 4.200 4.340 0.001 0.000 0.202 308 Q C 2.245 178.165 176.000 -0.134 0.000 0.977 308 Q CA 1.658 57.391 55.803 -0.116 0.000 0.850 308 Q CB -0.703 27.992 28.738 -0.071 0.000 0.901 308 Q HN 0.568 nan 8.270 nan 0.000 0.429 309 G N 0.737 109.434 108.800 -0.172 0.000 2.433 309 G HA2 -0.201 3.759 3.960 0.001 0.000 0.216 309 G HA3 -0.201 3.759 3.960 0.001 0.000 0.216 309 G C 1.582 176.363 174.900 -0.197 0.000 1.186 309 G CA 1.735 46.739 45.100 -0.160 0.000 0.779 309 G HN 0.382 nan 8.290 nan 0.000 0.543 310 V N -0.609 119.067 119.914 -0.396 0.000 2.427 310 V HA -0.019 4.102 4.120 0.001 0.000 0.248 310 V C 2.602 178.550 176.094 -0.243 0.000 1.051 310 V CA 1.597 63.556 62.300 -0.569 0.000 1.048 310 V CB -0.724 30.230 31.823 -1.448 0.000 0.666 310 V HN 0.221 nan 8.190 nan 0.000 0.456 311 L N 1.152 122.235 121.223 -0.234 0.000 1.989 311 L HA -0.098 4.243 4.340 0.001 0.000 0.211 311 L C 2.672 179.653 176.870 0.185 0.000 1.071 311 L CA 2.679 57.633 54.840 0.189 0.000 0.749 311 L CB -1.060 41.069 42.059 0.117 0.000 0.890 311 L HN 0.419 nan 8.230 nan 0.000 0.431 312 R N -0.390 120.149 120.500 0.066 0.000 2.091 312 R HA -0.184 4.156 4.340 0.001 0.000 0.238 312 R C 2.165 178.519 176.300 0.090 0.000 1.136 312 R CA 2.046 58.184 56.100 0.064 0.000 0.959 312 R CB -1.214 29.096 30.300 0.017 0.000 0.856 312 R HN 0.479 nan 8.270 nan 0.000 0.437 313 L N 0.114 121.397 121.223 0.100 0.000 2.012 313 L HA -0.001 4.339 4.340 0.001 0.000 0.210 313 L C 2.103 179.080 176.870 0.178 0.000 1.073 313 L CA 2.550 57.470 54.840 0.133 0.000 0.748 313 L CB -1.373 40.790 42.059 0.174 0.000 0.891 313 L HN 0.324 nan 8.230 nan 0.000 0.431 314 G N -0.829 108.200 108.800 0.381 0.000 2.418 314 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 314 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 314 G C 1.673 176.692 174.900 0.198 0.000 1.158 314 G CA 0.534 45.845 45.100 0.351 0.000 0.771 314 G HN 0.317 nan 8.290 nan 0.000 0.545 315 R N -0.136 120.473 120.500 0.181 0.000 2.081 315 R HA 0.040 4.380 4.340 0.001 0.000 0.235 315 R C 2.658 179.006 176.300 0.079 0.000 1.131 315 R CA 1.144 57.316 56.100 0.120 0.000 0.960 315 R CB -0.615 29.745 30.300 0.099 0.000 0.856 315 R HN 0.427 nan 8.270 nan 0.000 0.436 316 M N 0.308 119.943 119.600 0.057 0.000 2.175 316 M HA -0.128 4.353 4.480 0.001 0.000 0.264 316 M C 2.082 178.380 176.300 -0.003 0.000 1.063 316 M CA 1.584 56.899 55.300 0.024 0.000 1.119 316 M CB -0.191 32.416 32.600 0.013 0.000 1.377 316 M HN 0.031 nan 8.290 nan 0.000 0.415 317 K N 0.213 120.581 120.400 -0.053 0.000 2.062 317 K HA -0.121 4.199 4.320 0.001 0.000 0.205 317 K C 1.493 178.139 176.600 0.077 0.000 1.051 317 K CA 1.126 57.320 56.287 -0.155 0.000 0.941 317 K CB -0.153 31.975 32.500 -0.620 0.000 0.719 317 K HN 0.253 nan 8.250 nan 0.000 0.440 318 D N 1.248 121.761 120.400 0.188 0.000 2.149 318 D HA -0.155 4.486 4.640 0.001 0.000 0.198 318 D C 1.455 177.814 176.300 0.099 0.000 0.990 318 D CA 1.254 55.364 54.000 0.184 0.000 0.839 318 D CB -0.050 40.830 40.800 0.133 0.000 0.948 318 D HN 0.324 nan 8.370 nan 0.000 0.460 319 E N -0.348 119.893 120.200 0.069 0.000 2.427 319 E HA 0.113 4.463 4.350 0.001 0.000 0.196 319 E C 1.259 177.885 176.600 0.042 0.000 1.028 319 E CA 0.462 56.890 56.400 0.047 0.000 0.864 319 E CB 0.103 29.825 29.700 0.037 0.000 0.813 319 E HN 0.286 nan 8.360 nan 0.000 0.514 320 G N 1.610 110.437 108.800 0.044 0.000 2.160 320 G HA2 -0.328 3.632 3.960 0.001 0.000 0.251 320 G HA3 -0.328 3.632 3.960 0.001 0.000 0.251 320 G C 0.928 175.839 174.900 0.018 0.000 1.008 320 G CA 0.859 45.978 45.100 0.033 0.000 0.724 320 G HN 0.410 nan 8.290 nan 0.000 0.514 321 T N -3.236 111.325 114.554 0.011 0.000 3.105 321 T HA 0.666 5.016 4.350 0.001 0.000 0.253 321 T C 0.910 175.612 174.700 0.002 0.000 1.047 321 T CA 1.096 63.202 62.100 0.010 0.000 0.944 321 T CB 0.957 69.834 68.868 0.014 0.000 1.016 321 T HN 1.581 nan 8.240 nan 0.000 0.544 322 A N 1.440 124.251 122.820 -0.015 0.000 2.253 322 A HA 0.844 5.165 4.320 0.001 0.000 0.316 322 A C 0.630 178.205 177.584 -0.015 0.000 1.327 322 A CA -0.720 51.303 52.037 -0.024 0.000 0.917 322 A CB 0.076 19.038 19.000 -0.062 0.000 1.162 322 A HN 0.671 nan 8.150 nan 0.000 0.535 323 A N 2.215 125.040 122.820 0.008 0.000 2.366 323 A HA 0.431 4.752 4.320 0.001 0.000 0.249 323 A C 1.340 178.946 177.584 0.037 0.000 1.084 323 A CA -0.073 51.981 52.037 0.029 0.000 0.794 323 A CB 0.105 19.127 19.000 0.037 0.000 1.034 323 A HN 1.167 nan 8.150 nan 0.000 0.491 324 V N 1.101 121.061 119.914 0.077 0.000 2.469 324 V HA -0.211 3.909 4.120 0.001 0.000 0.251 324 V C 2.250 178.419 176.094 0.124 0.000 1.064 324 V CA 2.548 64.918 62.300 0.115 0.000 1.066 324 V CB -1.083 30.900 31.823 0.268 0.000 0.667 324 V HN 0.967 nan 8.190 nan 0.000 0.461 325 E N 0.025 120.290 120.200 0.108 0.000 2.265 325 E HA -0.126 4.224 4.350 0.001 0.000 0.196 325 E C 1.929 178.566 176.600 0.063 0.000 0.996 325 E CA 0.934 57.393 56.400 0.098 0.000 0.832 325 E CB -0.323 29.420 29.700 0.072 0.000 0.756 325 E HN 0.616 nan 8.360 nan 0.000 0.491 326 I N 0.410 121.005 120.570 0.041 0.000 2.394 326 I HA -0.242 3.929 4.170 0.001 0.000 0.251 326 I C 1.882 178.005 176.117 0.010 0.000 1.136 326 I CA 1.111 62.422 61.300 0.019 0.000 1.425 326 I CB -0.407 37.600 38.000 0.012 0.000 1.079 326 I HN 0.091 nan 8.210 nan 0.000 0.425 327 T N -0.017 114.550 114.554 0.023 0.000 2.746 327 T HA -0.156 4.195 4.350 0.001 0.000 0.267 327 T C 2.156 176.811 174.700 -0.075 0.000 1.039 327 T CA 1.701 63.805 62.100 0.007 0.000 1.142 327 T CB -0.213 68.671 68.868 0.026 0.000 0.866 327 T HN 0.275 nan 8.240 nan 0.000 0.444 328 S N 1.116 116.798 115.700 -0.029 0.000 2.374 328 S HA -0.066 4.405 4.470 0.001 0.000 0.227 328 S C 2.017 176.544 174.600 -0.122 0.000 1.037 328 S CA 1.010 59.156 58.200 -0.091 0.000 1.024 328 S CB -0.486 62.840 63.200 0.209 0.000 0.861 328 S HN 0.437 nan 8.310 nan 0.000 0.456 329 I N 1.135 121.674 120.570 -0.051 0.000 2.127 329 I HA -0.226 3.945 4.170 0.001 0.000 0.241 329 I C 2.345 178.402 176.117 -0.099 0.000 1.075 329 I CA 1.130 62.397 61.300 -0.054 0.000 1.334 329 I CB -0.348 37.630 38.000 -0.036 0.000 1.040 329 I HN 0.308 nan 8.210 nan 0.000 0.405 330 M N 0.043 119.574 119.600 -0.114 0.000 2.200 330 M HA -0.115 4.366 4.480 0.001 0.000 0.265 330 M C 2.203 178.393 176.300 -0.183 0.000 1.066 330 M CA 1.410 56.620 55.300 -0.151 0.000 1.127 330 M CB -1.216 31.292 32.600 -0.153 0.000 1.379 330 M HN 0.142 nan 8.290 nan 0.000 0.420 331 K N 0.852 121.126 120.400 -0.210 0.000 2.026 331 K HA -0.169 4.151 4.320 0.001 0.000 0.208 331 K C 2.193 178.667 176.600 -0.210 0.000 1.048 331 K CA 1.461 57.604 56.287 -0.240 0.000 0.929 331 K CB -0.266 32.017 32.500 -0.362 0.000 0.713 331 K HN 0.264 nan 8.250 nan 0.000 0.439 332 R N 0.614 120.977 120.500 -0.227 0.000 2.073 332 R HA -0.171 4.170 4.340 0.001 0.000 0.234 332 R C 2.139 178.388 176.300 -0.084 0.000 1.134 332 R CA 2.057 58.093 56.100 -0.107 0.000 0.952 332 R CB -0.329 29.946 30.300 -0.042 0.000 0.850 332 R HN 0.203 nan 8.270 nan 0.000 0.433 333 N N -0.148 118.492 118.700 -0.100 0.000 2.058 333 N HA -0.128 4.613 4.740 0.001 0.000 0.191 333 N C 1.602 177.046 175.510 -0.110 0.000 1.037 333 N CA 2.263 55.255 53.050 -0.097 0.000 0.848 333 N CB -0.182 38.242 38.487 -0.106 0.000 1.021 333 N HN 0.089 nan 8.380 nan 0.000 0.422 334 S N -0.687 114.930 115.700 -0.138 0.000 2.365 334 S HA -0.171 4.299 4.470 0.001 0.000 0.225 334 S C 2.265 176.800 174.600 -0.108 0.000 1.039 334 S CA 1.324 59.438 58.200 -0.145 0.000 1.033 334 S CB -0.668 62.423 63.200 -0.181 0.000 0.887 334 S HN 0.553 nan 8.310 nan 0.000 0.447 335 C N 1.112 120.357 119.300 -0.091 0.000 2.446 335 C HA 0.045 4.505 4.460 0.001 0.000 0.277 335 C C 2.945 177.906 174.990 -0.048 0.000 1.275 335 C CA 0.448 59.431 59.018 -0.060 0.000 1.727 335 C CB -1.739 25.978 27.740 -0.039 0.000 2.010 335 C HN 0.731 nan 8.230 nan 0.000 0.486 336 G N 0.480 109.250 108.800 -0.049 0.000 2.394 336 G HA2 -0.140 3.820 3.960 0.001 0.000 0.215 336 G HA3 -0.140 3.820 3.960 0.001 0.000 0.215 336 G C 1.717 176.587 174.900 -0.051 0.000 1.165 336 G CA 0.565 45.640 45.100 -0.041 0.000 0.784 336 G HN 0.416 nan 8.290 nan 0.000 0.535 337 K N 1.049 121.409 120.400 -0.068 0.000 2.057 337 K HA 0.067 4.387 4.320 0.001 0.000 0.206 337 K C 2.860 179.411 176.600 -0.081 0.000 1.050 337 K CA 1.138 57.377 56.287 -0.080 0.000 0.935 337 K CB -0.737 31.703 32.500 -0.100 0.000 0.715 337 K HN 0.256 nan 8.250 nan 0.000 0.439 338 A N 1.548 124.320 122.820 -0.080 0.000 1.902 338 A HA -0.153 4.167 4.320 0.001 0.000 0.217 338 A C 2.204 179.754 177.584 -0.056 0.000 1.181 338 A CA 1.230 53.221 52.037 -0.077 0.000 0.623 338 A CB -0.549 18.404 19.000 -0.077 0.000 0.818 338 A HN 0.213 nan 8.150 nan 0.000 0.443 339 L N 0.259 121.457 121.223 -0.041 0.000 2.017 339 L HA -0.166 4.174 4.340 0.001 0.000 0.208 339 L C 1.644 178.497 176.870 -0.029 0.000 1.073 339 L CA 2.511 57.336 54.840 -0.025 0.000 0.745 339 L CB -0.809 41.241 42.059 -0.016 0.000 0.894 339 L HN 0.351 nan 8.230 nan 0.000 0.432 340 D N -0.304 120.073 120.400 -0.037 0.000 2.123 340 D HA -0.199 4.441 4.640 0.001 0.000 0.196 340 D C 2.348 178.622 176.300 -0.044 0.000 0.992 340 D CA 1.896 55.873 54.000 -0.039 0.000 0.833 340 D CB -0.124 40.649 40.800 -0.045 0.000 0.954 340 D HN 0.443 nan 8.370 nan 0.000 0.455 341 I N 1.080 121.616 120.570 -0.056 0.000 2.315 341 I HA -0.218 3.953 4.170 0.001 0.000 0.248 341 I C 2.469 178.562 176.117 -0.039 0.000 1.117 341 I CA 0.833 62.099 61.300 -0.058 0.000 1.404 341 I CB -0.143 37.810 38.000 -0.078 0.000 1.071 341 I HN -0.086 nan 8.210 nan 0.000 0.419 342 A N 0.793 123.589 122.820 -0.038 0.000 1.933 342 A HA -0.203 4.117 4.320 0.001 0.000 0.218 342 A C 2.383 179.953 177.584 -0.023 0.000 1.175 342 A CA 1.501 53.521 52.037 -0.027 0.000 0.628 342 A CB -0.497 18.496 19.000 -0.013 0.000 0.814 342 A HN 0.312 nan 8.150 nan 0.000 0.444 343 R N -1.429 119.058 120.500 -0.021 0.000 2.062 343 R HA -0.015 4.326 4.340 0.001 0.000 0.229 343 R C 2.052 178.337 176.300 -0.025 0.000 1.128 343 R CA 1.169 57.258 56.100 -0.018 0.000 0.960 343 R CB -0.497 29.796 30.300 -0.013 0.000 0.855 343 R HN 0.422 nan 8.270 nan 0.000 0.432 344 L N 0.704 121.911 121.223 -0.027 0.000 2.042 344 L HA -0.179 4.161 4.340 0.001 0.000 0.210 344 L C 2.259 179.111 176.870 -0.029 0.000 1.076 344 L CA 2.040 56.865 54.840 -0.025 0.000 0.749 344 L CB -0.638 41.404 42.059 -0.028 0.000 0.893 344 L HN 0.180 nan 8.230 nan 0.000 0.432 345 A N -1.121 121.680 122.820 -0.032 0.000 1.929 345 A HA -0.202 4.119 4.320 0.001 0.000 0.216 345 A C 2.379 179.897 177.584 -0.110 0.000 1.176 345 A CA 1.438 53.445 52.037 -0.049 0.000 0.628 345 A CB -0.494 18.490 19.000 -0.027 0.000 0.816 345 A HN 0.388 nan 8.150 nan 0.000 0.444 346 R N 0.863 121.308 120.500 -0.091 0.000 2.083 346 R HA -0.141 4.199 4.340 0.001 0.000 0.237 346 R C 0.828 177.068 176.300 -0.099 0.000 1.137 346 R CA 2.158 58.194 56.100 -0.106 0.000 0.951 346 R CB -0.728 29.545 30.300 -0.044 0.000 0.851 346 R HN 0.431 nan 8.270 nan 0.000 0.434 347 D N -0.507 119.857 120.400 -0.060 0.000 2.371 347 D HA -0.053 4.588 4.640 0.001 0.000 0.221 347 D C 1.258 177.527 176.300 -0.051 0.000 0.986 347 D CA 0.850 54.826 54.000 -0.040 0.000 0.899 347 D CB 0.025 40.814 40.800 -0.019 0.000 0.902 347 D HN 0.377 nan 8.370 nan 0.000 0.530 348 M N -0.343 119.204 119.600 -0.088 0.000 2.502 348 M HA 0.124 4.604 4.480 0.001 0.000 0.243 348 M C 0.244 176.406 176.300 -0.230 0.000 1.130 348 M CA 0.283 55.530 55.300 -0.089 0.000 1.055 348 M CB 0.706 33.274 32.600 -0.053 0.000 1.457 348 M HN -0.171 nan 8.290 nan 0.000 0.488 349 L N 0.319 121.328 121.223 -0.356 0.000 2.295 349 L HA 0.560 4.901 4.340 0.001 0.000 0.285 349 L C 0.503 177.208 176.870 -0.273 0.000 1.035 349 L CA -0.821 53.618 54.840 -0.668 0.000 0.806 349 L CB 1.309 42.891 42.059 -0.795 0.000 1.214 349 L HN 0.038 nan 8.230 nan 0.000 0.426 350 G N 0.225 108.948 108.800 -0.129 0.000 2.491 350 G HA2 0.516 4.476 3.960 0.001 0.000 0.327 350 G HA3 0.516 4.476 3.960 0.001 0.000 0.327 350 G C 0.405 175.499 174.900 0.323 0.000 1.189 350 G CA -0.117 45.081 45.100 0.163 0.000 0.956 350 G HN 0.912 nan 8.290 nan 0.000 0.491 351 G N 0.038 109.015 108.800 0.294 0.000 2.303 351 G HA2 -0.172 3.789 3.960 0.001 0.000 0.260 351 G HA3 -0.172 3.789 3.960 0.001 0.000 0.260 351 G C 0.387 175.344 174.900 0.096 0.000 1.106 351 G CA 0.226 45.473 45.100 0.245 0.000 0.900 351 G HN 1.156 nan 8.290 nan 0.000 0.495 357 E N -0.283 119.981 120.200 0.108 0.000 2.219 357 E HA 0.068 4.418 4.350 0.001 0.000 0.198 357 E C 1.387 177.868 176.600 -0.198 0.000 0.998 357 E CA 1.408 57.768 56.400 -0.068 0.000 0.818 357 E CB -1.212 28.374 29.700 -0.191 0.000 0.741 357 E HN 0.782 nan 8.360 nan 0.000 0.477 358 F N 0.616 120.556 119.950 -0.018 0.000 2.725 358 F HA 0.331 4.858 4.527 0.001 0.000 0.303 358 F C 2.383 178.137 175.800 -0.077 0.000 1.167 358 F CA 0.169 58.143 58.000 -0.044 0.000 1.403 358 F CB -0.128 38.851 39.000 -0.036 0.000 1.077 358 F HN 0.255 nan 8.300 nan 0.000 0.537 359 G N -0.102 108.708 108.800 0.017 0.000 2.462 359 G HA2 -0.209 3.752 3.960 0.001 0.000 0.220 359 G HA3 -0.209 3.752 3.960 0.001 0.000 0.220 359 G C 1.803 176.670 174.900 -0.055 0.000 1.121 359 G CA 1.060 46.119 45.100 -0.069 0.000 0.758 359 G HN 0.289 nan 8.290 nan 0.000 0.559 360 V N 1.358 121.254 119.914 -0.029 0.000 2.295 360 V HA -0.138 3.982 4.120 0.001 0.000 0.246 360 V C 3.306 179.388 176.094 -0.020 0.000 1.049 360 V CA 1.988 64.280 62.300 -0.013 0.000 1.024 360 V CB -0.816 30.928 31.823 -0.132 0.000 0.648 360 V HN 0.468 nan 8.190 nan 0.000 0.447 361 A N -0.269 122.546 122.820 -0.009 0.000 1.978 361 A HA -0.265 4.055 4.320 0.001 0.000 0.220 361 A C 2.393 179.929 177.584 -0.081 0.000 1.170 361 A CA 2.135 54.190 52.037 0.029 0.000 0.636 361 A CB -0.534 18.566 19.000 0.165 0.000 0.810 361 A HN 0.507 nan 8.150 nan 0.000 0.448 362 R N -1.494 118.857 120.500 -0.249 0.000 2.055 362 R HA -0.136 4.204 4.340 0.001 0.000 0.228 362 R C 2.179 178.221 176.300 -0.430 0.000 1.143 362 R CA 1.374 57.102 56.100 -0.620 0.000 0.945 362 R CB -0.470 29.293 30.300 -0.896 0.000 0.841 362 R HN 0.622 nan 8.270 nan 0.000 0.429 363 H N 0.647 119.583 119.070 -0.223 0.000 2.321 363 H HA -0.206 4.351 4.556 0.001 0.000 0.295 363 H C 2.060 177.339 175.328 -0.082 0.000 1.102 363 H CA 1.849 57.820 56.048 -0.128 0.000 1.266 363 H CB -0.343 29.363 29.762 -0.092 0.000 1.363 363 H HN 0.186 nan 8.280 nan 0.000 0.492 364 L N 1.236 122.490 121.223 0.052 0.000 1.994 364 L HA -0.147 4.194 4.340 0.001 0.000 0.208 364 L C 2.708 179.599 176.870 0.037 0.000 1.071 364 L CA 1.723 56.584 54.840 0.034 0.000 0.745 364 L CB -1.011 41.061 42.059 0.022 0.000 0.892 364 L HN 0.196 nan 8.230 nan 0.000 0.431 365 V N -2.317 117.619 119.914 0.036 0.000 2.427 365 V HA -0.172 3.948 4.120 0.001 0.000 0.248 365 V C 2.368 178.522 176.094 0.100 0.000 1.051 365 V CA 1.782 64.134 62.300 0.086 0.000 1.048 365 V CB -1.283 30.636 31.823 0.159 0.000 0.666 365 V HN 0.453 nan 8.190 nan 0.000 0.456 366 N N 1.273 120.020 118.700 0.078 0.000 2.069 366 N HA -0.106 4.634 4.740 0.001 0.000 0.191 366 N C 1.755 177.303 175.510 0.063 0.000 1.031 366 N CA 2.192 55.290 53.050 0.081 0.000 0.852 366 N CB -0.655 37.860 38.487 0.047 0.000 1.018 366 N HN 0.515 nan 8.380 nan 0.000 0.423 367 L N 1.011 122.266 121.223 0.053 0.000 2.217 367 L HA -0.063 4.278 4.340 0.001 0.000 0.211 367 L C 2.031 178.922 176.870 0.035 0.000 1.107 367 L CA 0.807 55.669 54.840 0.037 0.000 0.783 367 L CB -0.275 41.798 42.059 0.024 0.000 0.919 367 L HN 0.183 nan 8.230 nan 0.000 0.442 368 E N -0.443 119.783 120.200 0.042 0.000 2.118 368 E HA -0.197 4.153 4.350 0.001 0.000 0.195 368 E C 2.226 178.855 176.600 0.048 0.000 0.992 368 E CA 1.273 57.698 56.400 0.041 0.000 0.804 368 E CB 0.021 29.749 29.700 0.045 0.000 0.741 368 E HN 0.276 nan 8.360 nan 0.000 0.458 369 V N 0.239 120.191 119.914 0.063 0.000 2.407 369 V HA -0.164 3.956 4.120 0.001 0.000 0.245 369 V C 2.213 178.362 176.094 0.092 0.000 1.041 369 V CA 0.909 63.257 62.300 0.078 0.000 1.040 369 V CB -0.025 31.853 31.823 0.092 0.000 0.671 369 V HN 0.125 nan 8.190 nan 0.000 0.455 370 V N 0.711 120.665 119.914 0.066 0.000 2.332 370 V HA -0.258 3.863 4.120 0.001 0.000 0.248 370 V C 2.201 178.342 176.094 0.077 0.000 1.055 370 V CA 2.076 64.410 62.300 0.057 0.000 1.038 370 V CB -0.787 31.047 31.823 0.018 0.000 0.651 370 V HN 0.602 nan 8.190 nan 0.000 0.450 371 N N 0.247 118.978 118.700 0.051 0.000 2.453 371 N HA -0.097 4.643 4.740 0.001 0.000 0.183 371 N C 1.607 177.138 175.510 0.036 0.000 1.041 371 N CA 1.790 54.862 53.050 0.038 0.000 0.900 371 N CB 0.114 38.612 38.487 0.018 0.000 0.961 371 N HN 0.723 nan 8.380 nan 0.000 0.443 372 T N -3.941 110.640 114.554 0.045 0.000 3.040 372 T HA 0.053 4.403 4.350 0.001 0.000 0.266 372 T C 1.431 176.132 174.700 0.001 0.000 1.005 372 T CA -0.486 61.619 62.100 0.009 0.000 0.906 372 T CB -0.354 68.511 68.868 -0.004 0.000 1.082 372 T HN 0.094 nan 8.240 nan 0.000 0.531 373 Y N 2.917 123.186 120.300 -0.051 0.000 2.181 373 Y HA 0.015 4.566 4.550 0.001 0.000 0.288 373 Y C 1.735 177.594 175.900 -0.069 0.000 1.146 373 Y CA 1.496 59.556 58.100 -0.067 0.000 1.164 373 Y CB -0.082 38.362 38.460 -0.026 0.000 0.982 373 Y HN 0.299 nan 8.280 nan 0.000 0.515 374 E N 0.600 120.789 120.200 -0.019 0.000 2.359 374 E HA 0.311 4.661 4.350 0.001 0.000 0.187 374 E C 0.612 177.109 176.600 -0.171 0.000 1.081 374 E CA 0.339 56.677 56.400 -0.102 0.000 0.929 374 E CB -0.323 29.387 29.700 0.017 0.000 1.086 374 E HN 0.556 nan 8.360 nan 0.000 0.462 375 G N 0.867 109.571 108.800 -0.161 0.000 2.525 375 G HA2 -0.223 3.737 3.960 0.001 0.000 0.685 375 G HA3 -0.223 3.737 3.960 0.001 0.000 0.685 375 G C 0.378 175.218 174.900 -0.101 0.000 1.290 375 G CA -0.277 44.761 45.100 -0.104 0.000 0.915 375 G HN 0.140 nan 8.290 nan 0.000 0.548 376 T N -2.928 111.624 114.554 -0.004 0.000 3.129 376 T HA 0.318 4.669 4.350 0.001 0.000 0.267 376 T C 1.049 175.766 174.700 0.028 0.000 1.018 376 T CA 1.071 63.169 62.100 -0.003 0.000 0.903 376 T CB -0.224 68.655 68.868 0.019 0.000 1.067 376 T HN 1.366 nan 8.240 nan 0.000 0.549 377 H N -0.144 118.903 119.070 -0.038 0.000 2.505 377 H HA 0.272 4.829 4.556 0.001 0.000 0.286 377 H C -0.174 175.135 175.328 -0.032 0.000 1.072 377 H CA -0.218 55.809 56.048 -0.035 0.000 1.141 377 H CB -0.213 29.524 29.762 -0.042 0.000 1.550 377 H HN 0.223 nan 8.280 nan 0.000 0.547 378 D N 1.528 121.799 120.400 -0.215 0.000 2.737 378 D HA -0.233 4.408 4.640 0.001 0.000 0.238 378 D C 1.141 177.327 176.300 -0.189 0.000 1.157 378 D CA 0.584 54.496 54.000 -0.146 0.000 0.694 378 D CB -1.614 39.162 40.800 -0.041 0.000 1.021 378 D HN 0.707 nan 8.370 nan 0.000 0.420 379 I N 0.429 120.753 120.570 -0.411 0.000 2.335 379 I HA -0.311 3.859 4.170 0.001 0.000 0.251 379 I C 1.940 177.892 176.117 -0.275 0.000 1.129 379 I CA 1.217 62.302 61.300 -0.358 0.000 1.402 379 I CB -0.035 37.687 38.000 -0.463 0.000 1.069 379 I HN 0.295 nan 8.210 nan 0.000 0.424 380 H N 0.807 119.848 119.070 -0.049 0.000 2.395 380 H HA 0.000 4.557 4.556 0.001 0.000 0.299 380 H C 2.344 177.667 175.328 -0.008 0.000 1.070 380 H CA 1.255 57.296 56.048 -0.011 0.000 1.356 380 H CB -0.405 29.351 29.762 -0.010 0.000 1.401 380 H HN 0.491 nan 8.280 nan 0.000 0.524 381 A N 1.599 124.463 122.820 0.073 0.000 1.917 381 A HA -0.160 4.160 4.320 0.001 0.000 0.219 381 A C 2.668 180.268 177.584 0.027 0.000 1.182 381 A CA 1.426 53.486 52.037 0.038 0.000 0.633 381 A CB -0.919 18.092 19.000 0.018 0.000 0.819 381 A HN 0.286 nan 8.150 nan 0.000 0.448 382 L N -0.955 120.277 121.223 0.014 0.000 2.072 382 L HA -0.112 4.229 4.340 0.001 0.000 0.205 382 L C 2.503 179.381 176.870 0.014 0.000 1.079 382 L CA 1.048 55.897 54.840 0.015 0.000 0.752 382 L CB -0.611 41.463 42.059 0.026 0.000 0.906 382 L HN 0.350 nan 8.230 nan 0.000 0.436 383 I N 0.104 120.684 120.570 0.016 0.000 2.208 383 I HA -0.320 3.851 4.170 0.001 0.000 0.245 383 I C 2.450 178.592 176.117 0.042 0.000 1.097 383 I CA 1.488 62.807 61.300 0.033 0.000 1.363 383 I CB -0.155 37.889 38.000 0.073 0.000 1.051 383 I HN 0.238 nan 8.210 nan 0.000 0.413 384 L N -0.067 121.186 121.223 0.050 0.000 2.109 384 L HA -0.050 4.291 4.340 0.001 0.000 0.207 384 L C 2.688 179.572 176.870 0.024 0.000 1.086 384 L CA 1.283 56.147 54.840 0.040 0.000 0.760 384 L CB -1.086 40.998 42.059 0.041 0.000 0.910 384 L HN 0.281 nan 8.230 nan 0.000 0.437 385 G N -0.132 108.680 108.800 0.020 0.000 2.421 385 G HA2 -0.293 3.667 3.960 0.001 0.000 0.216 385 G HA3 -0.293 3.667 3.960 0.001 0.000 0.216 385 G C 1.743 176.648 174.900 0.009 0.000 1.171 385 G CA 0.666 45.773 45.100 0.012 0.000 0.775 385 G HN 0.225 nan 8.290 nan 0.000 0.543 386 R N 0.501 121.006 120.500 0.008 0.000 2.096 386 R HA 0.026 4.367 4.340 0.001 0.000 0.235 386 R C 2.804 179.107 176.300 0.005 0.000 1.127 386 R CA 1.334 57.436 56.100 0.003 0.000 0.968 386 R CB -0.321 29.977 30.300 -0.003 0.000 0.861 386 R HN 0.307 nan 8.270 nan 0.000 0.440 387 A N 0.264 123.091 122.820 0.011 0.000 2.067 387 A HA -0.146 4.174 4.320 0.001 0.000 0.219 387 A C 1.875 179.465 177.584 0.010 0.000 1.158 387 A CA 1.040 53.084 52.037 0.013 0.000 0.661 387 A CB -0.183 18.831 19.000 0.022 0.000 0.801 387 A HN 0.453 nan 8.150 nan 0.000 0.452 388 Q N -1.227 118.579 119.800 0.009 0.000 2.212 388 Q HA -0.062 4.279 4.340 0.001 0.000 0.199 388 Q C 1.983 177.985 176.000 0.004 0.000 0.950 388 Q CA 1.646 57.453 55.803 0.006 0.000 0.863 388 Q CB 0.086 28.828 28.738 0.006 0.000 0.944 388 Q HN 0.844 nan 8.270 nan 0.000 0.465 389 T N -5.661 108.895 114.554 0.003 0.000 2.959 389 T HA 0.315 4.665 4.350 0.001 0.000 0.254 389 T C 1.378 176.078 174.700 -0.000 0.000 1.003 389 T CA 0.565 62.666 62.100 0.001 0.000 0.950 389 T CB 0.970 69.838 68.868 0.001 0.000 1.090 389 T HN 0.334 nan 8.240 nan 0.000 0.503 390 G N 1.590 110.389 108.800 -0.001 0.000 2.179 390 G HA2 -0.205 3.756 3.960 0.001 0.000 0.260 390 G HA3 -0.205 3.756 3.960 0.001 0.000 0.260 390 G C -0.067 174.830 174.900 -0.005 0.000 0.977 390 G CA 0.238 45.336 45.100 -0.003 0.000 0.641 390 G HN 0.659 nan 8.290 nan 0.000 0.533 391 I N 1.109 121.677 120.570 -0.005 0.000 2.339 391 I HA 0.402 4.573 4.170 0.001 0.000 0.290 391 I C 0.499 176.612 176.117 -0.007 0.000 0.994 391 I CA -0.698 60.599 61.300 -0.006 0.000 1.191 391 I CB 1.781 39.778 38.000 -0.005 0.000 1.343 391 I HN 0.251 nan 8.210 nan 0.000 0.458 392 Q N 4.996 124.790 119.800 -0.010 0.000 2.352 392 Q HA 0.544 4.884 4.340 0.001 0.000 0.260 392 Q C -0.408 175.586 176.000 -0.009 0.000 0.976 392 Q CA -0.449 55.348 55.803 -0.011 0.000 0.881 392 Q CB 1.178 29.905 28.738 -0.018 0.000 1.235 392 Q HN 0.774 nan 8.270 nan 0.000 0.419 393 A N 2.883 125.699 122.820 -0.005 0.000 2.354 393 A HA 0.679 5.000 4.320 0.001 0.000 0.269 393 A C -0.629 176.948 177.584 -0.012 0.000 1.109 393 A CA 0.243 52.277 52.037 -0.004 0.000 0.800 393 A CB 0.018 19.021 19.000 0.004 0.000 1.045 393 A HN 0.796 nan 8.150 nan 0.000 0.489 394 F N 0.000 119.941 119.950 -0.015 0.000 2.286 394 F HA 0.000 4.528 4.527 0.001 0.000 0.279 394 F CA 0.000 57.986 58.000 -0.023 0.000 1.383 394 F CB 0.000 38.987 39.000 -0.022 0.000 1.145 394 F HN 0.000 nan 8.300 nan 0.000 0.574