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 3d6b_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 GCFGLTEPNH GXXXGSMVTR DATA SEQUENCE ARKVPGGYSL SGSKMWITNS PIADVFVVWA KLDEDGRDEI RGFILEKGCK DATA SEQUENCE GLSAPAIHGK VGLRASITGE IVLDEAFVPE ENILPHVKGL RGPFTCLNSA DATA SEQUENCE RYGIAWGALG AAESCWHIAR QYVLDRKQXX XPLAANQLIQ KKLADMQTEI DATA SEQUENCE TLGLQGVLRL GRMKDEGTAA VEITSIMKRN SCGKALDIAR LARDMLGXXX DATA SEQUENCE XXXXFGVARH LVNLEVVNTY EGTHDIHALI LGRAQTGIQA 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 0.000 177.650 177.584 0.110 0.000 1.274 4 A CA 0.000 52.088 52.037 0.085 0.000 0.836 4 A CB 0.000 19.052 19.000 0.086 0.000 0.831 5 T N -0.772 113.865 114.554 0.139 0.000 2.945 5 T HA 0.729 5.079 4.350 0.001 0.000 0.286 5 T C -0.318 174.538 174.700 0.260 0.000 1.025 5 T CA -0.593 61.593 62.100 0.144 0.000 1.039 5 T CB 1.193 70.090 68.868 0.048 0.000 1.068 5 T HN 1.078 nan 8.240 nan 0.000 0.497 6 F N 1.891 121.882 119.950 0.068 0.000 2.408 6 F HA 0.430 4.958 4.527 0.001 0.000 0.344 6 F C -0.233 175.613 175.800 0.077 0.000 1.112 6 F CA -0.819 57.258 58.000 0.129 0.000 1.096 6 F CB 0.714 39.783 39.000 0.116 0.000 1.129 6 F HN 0.703 nan 8.300 nan 0.000 0.486 7 H N 7.058 125.785 119.070 -0.573 0.000 2.685 7 H HA 0.067 4.624 4.556 0.001 0.000 0.286 7 H C 0.592 175.328 175.328 -0.987 0.000 1.102 7 H CA -0.916 54.768 56.048 -0.607 0.000 1.254 7 H CB 0.206 29.723 29.762 -0.407 0.000 1.397 7 H HN 0.759 nan 8.280 nan 0.000 0.473 8 W N 3.589 124.494 121.300 -0.658 0.000 2.350 8 W HA -0.146 4.515 4.660 0.001 0.000 0.289 8 W C 0.158 176.666 176.519 -0.018 0.000 1.215 8 W CA 1.293 58.421 57.345 -0.362 0.000 1.236 8 W CB -0.217 29.241 29.460 -0.004 0.000 1.130 8 W HN 0.531 nan 8.180 nan 0.000 0.541 9 D N -0.160 119.493 120.400 -1.245 0.000 2.347 9 D HA -0.078 4.562 4.640 0.001 0.000 0.213 9 D C -0.144 175.956 176.300 -0.333 0.000 0.985 9 D CA 0.600 53.927 54.000 -1.122 0.000 0.879 9 D CB -0.536 39.211 40.800 -1.754 0.000 0.919 9 D HN 0.113 nan 8.370 nan 0.000 0.526 10 D N -0.552 119.682 120.400 -0.277 0.000 3.118 10 D HA 0.193 4.833 4.640 0.001 0.000 0.286 10 D C -2.130 174.077 176.300 -0.155 0.000 1.255 10 D CA -1.549 52.360 54.000 -0.153 0.000 0.748 10 D CB 1.138 41.825 40.800 -0.187 0.000 1.332 10 D HN -0.207 nan 8.370 nan 0.000 0.575 11 P HA -0.049 nan 4.420 nan 0.000 0.218 11 P C 1.209 178.537 177.300 0.046 0.000 1.148 11 P CA 0.876 63.959 63.100 -0.029 0.000 0.822 11 P CB 0.321 32.140 31.700 0.198 0.000 0.784 12 L N -1.411 119.817 121.223 0.008 0.000 2.628 12 L HA 0.198 4.538 4.340 0.001 0.000 0.229 12 L C 0.373 177.215 176.870 -0.048 0.000 1.137 12 L CA -0.196 54.645 54.840 0.001 0.000 0.909 12 L CB -0.480 41.581 42.059 0.003 0.000 1.137 12 L HN -0.108 nan 8.230 nan 0.000 0.470 13 L N 0.193 121.349 121.223 -0.112 0.000 3.677 13 L HA -0.271 4.069 4.340 0.001 0.000 0.464 13 L C 1.574 178.387 176.870 -0.096 0.000 1.278 13 L CA -0.226 54.513 54.840 -0.168 0.000 0.806 13 L CB -1.137 40.809 42.059 -0.187 0.000 1.610 13 L HN 0.320 nan 8.230 nan 0.000 0.867 14 L N 0.548 121.732 121.223 -0.065 0.000 2.051 14 L HA -0.237 4.103 4.340 0.001 0.000 0.214 14 L C 1.935 178.795 176.870 -0.017 0.000 1.076 14 L CA 2.797 57.627 54.840 -0.017 0.000 0.758 14 L CB -0.265 41.800 42.059 0.010 0.000 0.890 14 L HN 0.521 nan 8.230 nan 0.000 0.433 15 D N -1.165 119.202 120.400 -0.054 0.000 2.158 15 D HA -0.254 4.386 4.640 0.001 0.000 0.197 15 D C 2.082 178.354 176.300 -0.047 0.000 0.995 15 D CA 1.610 55.578 54.000 -0.053 0.000 0.846 15 D CB -0.061 40.685 40.800 -0.089 0.000 0.941 15 D HN 0.620 nan 8.370 nan 0.000 0.456 16 Q N -0.835 118.927 119.800 -0.064 0.000 2.389 16 Q HA 0.003 4.344 4.340 0.001 0.000 0.204 16 Q C 1.781 177.769 176.000 -0.021 0.000 0.944 16 Q CA 0.417 56.192 55.803 -0.046 0.000 0.908 16 Q CB 0.158 28.859 28.738 -0.062 0.000 1.002 16 Q HN 0.479 nan 8.270 nan 0.000 0.493 17 Q N 0.002 119.796 119.800 -0.010 0.000 2.451 17 Q HA 0.087 4.427 4.340 0.001 0.000 0.206 17 Q C -0.049 175.969 176.000 0.029 0.000 0.947 17 Q CA 0.252 56.062 55.803 0.013 0.000 0.937 17 Q CB 0.324 29.076 28.738 0.023 0.000 1.025 17 Q HN 0.301 nan 8.270 nan 0.000 0.511 18 L N 0.394 121.630 121.223 0.022 0.000 2.343 18 L HA 0.502 4.842 4.340 0.001 0.000 0.275 18 L C 0.073 176.948 176.870 0.008 0.000 1.056 18 L CA -1.090 53.764 54.840 0.025 0.000 0.804 18 L CB 0.993 43.065 42.059 0.022 0.000 1.203 18 L HN -0.035 nan 8.230 nan 0.000 0.440 19 A N 0.967 123.792 122.820 0.008 0.000 2.445 19 A HA 0.021 4.341 4.320 0.001 0.000 0.242 19 A C 0.825 178.404 177.584 -0.008 0.000 1.075 19 A CA -0.144 51.893 52.037 -0.000 0.000 0.777 19 A CB 0.188 19.188 19.000 -0.000 0.000 1.013 19 A HN 0.932 nan 8.150 nan 0.000 0.493 20 D N 0.756 121.150 120.400 -0.010 0.000 2.158 20 D HA -0.197 4.444 4.640 0.001 0.000 0.197 20 D C 1.148 177.438 176.300 -0.017 0.000 0.995 20 D CA 2.071 56.062 54.000 -0.014 0.000 0.846 20 D CB 0.058 40.850 40.800 -0.013 0.000 0.941 20 D HN 0.677 nan 8.370 nan 0.000 0.456 21 D N 0.092 120.482 120.400 -0.017 0.000 2.230 21 D HA -0.222 4.418 4.640 0.001 0.000 0.189 21 D C 1.867 178.152 176.300 -0.026 0.000 1.006 21 D CA 1.385 55.372 54.000 -0.022 0.000 0.853 21 D CB -0.185 40.603 40.800 -0.021 0.000 0.959 21 D HN 0.417 nan 8.370 nan 0.000 0.449 22 E N -0.559 119.626 120.200 -0.025 0.000 2.152 22 E HA -0.059 4.291 4.350 0.001 0.000 0.192 22 E C 2.366 178.946 176.600 -0.032 0.000 0.983 22 E CA 0.398 56.778 56.400 -0.034 0.000 0.818 22 E CB 0.096 29.780 29.700 -0.027 0.000 0.758 22 E HN 0.212 nan 8.360 nan 0.000 0.467 23 R N 0.222 120.708 120.500 -0.023 0.000 2.081 23 R HA -0.087 4.253 4.340 0.001 0.000 0.235 23 R C 2.362 178.649 176.300 -0.023 0.000 1.131 23 R CA 1.438 57.523 56.100 -0.024 0.000 0.960 23 R CB -0.212 30.073 30.300 -0.024 0.000 0.856 23 R HN 0.236 nan 8.270 nan 0.000 0.436 24 M N 0.014 119.601 119.600 -0.021 0.000 2.159 24 M HA -0.146 4.334 4.480 0.001 0.000 0.263 24 M C 2.306 178.598 176.300 -0.013 0.000 1.063 24 M CA 1.354 56.644 55.300 -0.016 0.000 1.110 24 M CB -0.198 32.391 32.600 -0.017 0.000 1.374 24 M HN 0.008 nan 8.290 nan 0.000 0.411 25 V N 0.193 120.094 119.914 -0.023 0.000 2.307 25 V HA -0.255 3.865 4.120 0.001 0.000 0.245 25 V C 2.453 178.539 176.094 -0.012 0.000 1.045 25 V CA 1.809 64.094 62.300 -0.025 0.000 1.024 25 V CB -0.810 30.987 31.823 -0.044 0.000 0.651 25 V HN 0.475 nan 8.190 nan 0.000 0.449 26 R N 0.169 120.659 120.500 -0.017 0.000 2.083 26 R HA -0.211 4.129 4.340 0.001 0.000 0.237 26 R C 2.001 178.328 176.300 0.044 0.000 1.137 26 R CA 2.257 58.358 56.100 0.002 0.000 0.951 26 R CB -0.400 29.892 30.300 -0.012 0.000 0.851 26 R HN 0.502 nan 8.270 nan 0.000 0.434 27 D N 0.093 120.507 120.400 0.024 0.000 2.178 27 D HA -0.090 4.550 4.640 0.001 0.000 0.202 27 D C 1.682 178.036 176.300 0.089 0.000 0.974 27 D CA 1.316 55.342 54.000 0.042 0.000 0.841 27 D CB -0.171 40.628 40.800 -0.001 0.000 0.953 27 D HN 0.396 nan 8.370 nan 0.000 0.478 28 A N 1.004 123.859 122.820 0.058 0.000 1.930 28 A HA 0.019 4.340 4.320 0.001 0.000 0.217 28 A C 2.298 179.940 177.584 0.097 0.000 1.175 28 A CA 1.911 53.984 52.037 0.061 0.000 0.627 28 A CB -0.550 18.462 19.000 0.021 0.000 0.815 28 A HN 0.227 nan 8.150 nan 0.000 0.443 29 A N -0.945 121.931 122.820 0.093 0.000 1.898 29 A HA -0.121 4.199 4.320 0.001 0.000 0.216 29 A C 1.986 179.667 177.584 0.161 0.000 1.181 29 A CA 1.927 54.037 52.037 0.122 0.000 0.620 29 A CB -0.896 18.152 19.000 0.079 0.000 0.819 29 A HN 0.774 nan 8.150 nan 0.000 0.442 30 H N -0.008 119.097 119.070 0.058 0.000 2.319 30 H HA -0.037 4.520 4.556 0.001 0.000 0.299 30 H C 2.191 177.543 175.328 0.039 0.000 1.092 30 H CA 2.200 58.275 56.048 0.045 0.000 1.302 30 H CB -0.202 29.578 29.762 0.029 0.000 1.373 30 H HN 0.395 nan 8.280 nan 0.000 0.497 31 A N -0.053 122.864 122.820 0.162 0.000 1.883 31 A HA -0.249 4.072 4.320 0.001 0.000 0.217 31 A C 2.376 179.973 177.584 0.021 0.000 1.186 31 A CA 1.759 53.849 52.037 0.088 0.000 0.624 31 A CB -1.479 17.588 19.000 0.110 0.000 0.822 31 A HN 0.753 nan 8.150 nan 0.000 0.444 32 Y N 0.383 120.661 120.300 -0.037 0.000 2.145 32 Y HA -0.088 4.463 4.550 0.001 0.000 0.286 32 Y C 2.641 178.484 175.900 -0.094 0.000 1.145 32 Y CA 1.688 59.752 58.100 -0.061 0.000 1.148 32 Y CB -0.417 38.009 38.460 -0.056 0.000 0.981 32 Y HN 0.310 nan 8.280 nan 0.000 0.507 33 A N 0.159 122.829 122.820 -0.250 0.000 1.898 33 A HA -0.186 4.134 4.320 0.001 0.000 0.216 33 A C 2.051 179.444 177.584 -0.319 0.000 1.181 33 A CA 1.724 53.565 52.037 -0.326 0.000 0.620 33 A CB -0.592 18.350 19.000 -0.095 0.000 0.819 33 A HN 0.552 nan 8.150 nan 0.000 0.442 34 Q N -0.547 119.066 119.800 -0.311 0.000 2.123 34 Q HA -0.053 4.287 4.340 0.001 0.000 0.199 34 Q C 2.188 178.070 176.000 -0.196 0.000 0.966 34 Q CA 1.511 57.157 55.803 -0.263 0.000 0.845 34 Q CB -0.942 27.585 28.738 -0.351 0.000 0.907 34 Q HN 0.632 nan 8.270 nan 0.000 0.439 35 G N 0.588 109.266 108.800 -0.203 0.000 2.394 35 G HA2 -0.197 3.763 3.960 0.001 0.000 0.215 35 G HA3 -0.197 3.763 3.960 0.001 0.000 0.215 35 G C 1.487 176.271 174.900 -0.193 0.000 1.165 35 G CA 0.617 45.627 45.100 -0.150 0.000 0.784 35 G HN 0.274 nan 8.290 nan 0.000 0.535 36 K N -0.860 119.330 120.400 -0.351 0.000 2.350 36 K HA 0.405 4.725 4.320 0.001 0.000 0.196 36 K C 2.258 178.629 176.600 -0.382 0.000 1.084 36 K CA -0.104 55.960 56.287 -0.372 0.000 0.967 36 K CB 0.180 32.402 32.500 -0.464 0.000 0.950 36 K HN 0.162 nan 8.250 nan 0.000 0.512 37 L N 0.044 120.983 121.223 -0.472 0.000 2.202 37 L HA 0.139 4.480 4.340 0.001 0.000 0.205 37 L C 2.369 179.185 176.870 -0.091 0.000 1.083 37 L CA 0.695 55.312 54.840 -0.373 0.000 0.790 37 L CB -0.326 41.444 42.059 -0.483 0.000 0.942 37 L HN 0.112 nan 8.230 nan 0.000 0.452 38 A N 0.970 123.736 122.820 -0.089 0.000 1.933 38 A HA -0.098 4.222 4.320 0.001 0.000 0.218 38 A C -0.130 177.454 177.584 -0.001 0.000 1.175 38 A CA 1.481 53.510 52.037 -0.013 0.000 0.628 38 A CB -1.739 17.242 19.000 -0.032 0.000 0.814 38 A HN 0.284 nan 8.150 nan 0.000 0.444 39 P HA -0.054 nan 4.420 nan 0.000 0.230 39 P C 1.197 178.505 177.300 0.014 0.000 1.158 39 P CA 0.866 63.957 63.100 -0.014 0.000 0.769 39 P CB 0.022 31.703 31.700 -0.033 0.000 0.807 40 R N -1.499 119.023 120.500 0.037 0.000 2.254 40 R HA 0.122 4.462 4.340 0.001 0.000 0.193 40 R C 1.985 178.381 176.300 0.159 0.000 0.929 40 R CA 0.106 56.260 56.100 0.091 0.000 1.038 40 R CB -0.664 29.691 30.300 0.091 0.000 1.009 40 R HN 0.050 nan 8.270 nan 0.000 0.512 41 V N 0.882 120.897 119.914 0.169 0.000 2.453 41 V HA -0.199 3.921 4.120 0.001 0.000 0.247 41 V C 1.662 177.820 176.094 0.105 0.000 1.048 41 V CA 2.171 64.576 62.300 0.174 0.000 1.049 41 V CB -0.067 31.844 31.823 0.148 0.000 0.672 41 V HN 0.323 nan 8.190 nan 0.000 0.457 42 T N -0.231 114.368 114.554 0.075 0.000 2.674 42 T HA -0.201 4.150 4.350 0.001 0.000 0.265 42 T C 1.797 176.573 174.700 0.126 0.000 1.039 42 T CA 1.982 64.122 62.100 0.068 0.000 1.150 42 T CB -0.215 68.666 68.868 0.020 0.000 0.864 42 T HN 0.461 nan 8.240 nan 0.000 0.427 43 E N 0.614 120.891 120.200 0.128 0.000 2.299 43 E HA 0.236 4.586 4.350 0.001 0.000 0.193 43 E C 2.162 178.878 176.600 0.193 0.000 0.998 43 E CA 0.599 57.107 56.400 0.179 0.000 0.851 43 E CB -0.354 29.450 29.700 0.172 0.000 0.795 43 E HN 0.435 nan 8.360 nan 0.000 0.492 44 A N -0.066 122.859 122.820 0.175 0.000 1.902 44 A HA -0.181 4.139 4.320 0.001 0.000 0.217 44 A C 2.076 179.745 177.584 0.141 0.000 1.181 44 A CA 1.358 53.497 52.037 0.170 0.000 0.623 44 A CB -0.762 18.364 19.000 0.211 0.000 0.818 44 A HN 0.431 nan 8.150 nan 0.000 0.443 45 F N 0.051 119.991 119.950 -0.016 0.000 2.118 45 F HA -0.033 4.495 4.527 0.001 0.000 0.293 45 F C 2.407 178.178 175.800 -0.050 0.000 1.102 45 F CA 1.740 59.708 58.000 -0.053 0.000 1.247 45 F CB -0.252 38.695 39.000 -0.090 0.000 1.017 45 F HN 0.171 nan 8.300 nan 0.000 0.475 46 R N -0.687 119.907 120.500 0.157 0.000 2.103 46 R HA -0.228 4.112 4.340 0.001 0.000 0.242 46 R C 1.062 177.147 176.300 -0.358 0.000 1.142 46 R CA 2.357 58.403 56.100 -0.091 0.000 0.960 46 R CB -0.576 29.659 30.300 -0.109 0.000 0.858 46 R HN 0.452 nan 8.270 nan 0.000 0.439 47 H N -1.030 118.048 119.070 0.014 0.000 2.592 47 H HA 0.210 4.766 4.556 0.001 0.000 0.279 47 H C -0.579 174.750 175.328 0.001 0.000 1.089 47 H CA 0.029 56.079 56.048 0.004 0.000 1.150 47 H CB 0.681 30.456 29.762 0.022 0.000 1.575 47 H HN 0.265 nan 8.280 nan 0.000 0.547 48 E N 1.824 122.041 120.200 0.028 0.000 2.252 48 E HA -0.178 4.173 4.350 0.001 0.000 0.218 48 E C -0.341 176.329 176.600 0.117 0.000 1.253 48 E CA 0.407 56.827 56.400 0.033 0.000 0.705 48 E CB -0.672 29.059 29.700 0.051 0.000 1.172 48 E HN 0.581 nan 8.360 nan 0.000 0.369 49 T N -1.783 112.845 114.554 0.125 0.000 2.918 49 T HA 0.249 4.599 4.350 0.001 0.000 0.302 49 T C 0.444 175.232 174.700 0.147 0.000 1.045 49 T CA -0.385 61.797 62.100 0.137 0.000 1.114 49 T CB 1.573 70.523 68.868 0.136 0.000 0.965 49 T HN 0.065 nan 8.240 nan 0.000 0.540 50 T N 3.184 117.826 114.554 0.147 0.000 2.728 50 T HA 0.337 4.687 4.350 0.001 0.000 0.296 50 T C -0.533 174.261 174.700 0.156 0.000 0.940 50 T CA -0.359 61.834 62.100 0.155 0.000 1.013 50 T CB 0.381 69.336 68.868 0.145 0.000 0.912 50 T HN 0.730 nan 8.240 nan 0.000 0.484 51 D N 2.148 122.660 120.400 0.187 0.000 2.358 51 D HA 0.486 5.126 4.640 0.001 0.000 0.253 51 D C 0.521 176.949 176.300 0.214 0.000 1.288 51 D CA -0.675 53.432 54.000 0.178 0.000 0.950 51 D CB 0.881 41.789 40.800 0.180 0.000 1.197 51 D HN 0.471 nan 8.370 nan 0.000 0.550 52 A N 2.489 125.442 122.820 0.221 0.000 2.132 52 A HA 0.290 4.610 4.320 0.001 0.000 0.213 52 A C 1.969 179.739 177.584 0.310 0.000 1.154 52 A CA 0.947 53.178 52.037 0.324 0.000 0.753 52 A CB 0.001 19.136 19.000 0.225 0.000 0.826 52 A HN 0.524 nan 8.150 nan 0.000 0.469 53 A N 0.111 123.038 122.820 0.178 0.000 2.186 53 A HA -0.057 4.263 4.320 0.001 0.000 0.219 53 A C 1.819 179.463 177.584 0.100 0.000 1.159 53 A CA 1.285 53.399 52.037 0.128 0.000 0.680 53 A CB -0.655 18.396 19.000 0.086 0.000 0.787 53 A HN 0.515 nan 8.150 nan 0.000 0.467 54 I N -1.977 118.627 120.570 0.057 0.000 2.439 54 I HA -0.175 3.995 4.170 0.001 0.000 0.251 54 I C 1.965 177.988 176.117 -0.158 0.000 1.139 54 I CA 0.883 62.136 61.300 -0.078 0.000 1.438 54 I CB -0.258 37.602 38.000 -0.233 0.000 1.085 54 I HN 0.337 nan 8.210 nan 0.000 0.427 55 F N 0.573 120.545 119.950 0.037 0.000 2.113 55 F HA -0.120 4.407 4.527 0.001 0.000 0.297 55 F C 2.645 178.437 175.800 -0.012 0.000 1.103 55 F CA 1.098 59.108 58.000 0.018 0.000 1.248 55 F CB -0.520 38.506 39.000 0.044 0.000 0.999 55 F HN -0.145 nan 8.300 nan 0.000 0.475 56 R N 0.833 121.436 120.500 0.171 0.000 2.083 56 R HA -0.178 4.162 4.340 0.001 0.000 0.237 56 R C 2.043 178.340 176.300 -0.005 0.000 1.137 56 R CA 1.799 57.943 56.100 0.073 0.000 0.951 56 R CB -0.937 29.406 30.300 0.072 0.000 0.851 56 R HN 0.420 nan 8.270 nan 0.000 0.434 57 E N 0.149 120.334 120.200 -0.024 0.000 2.058 57 E HA -0.168 4.182 4.350 0.001 0.000 0.194 57 E C 2.142 178.544 176.600 -0.330 0.000 0.997 57 E CA 1.516 57.857 56.400 -0.099 0.000 0.801 57 E CB -0.108 29.624 29.700 0.054 0.000 0.746 57 E HN 0.288 nan 8.360 nan 0.000 0.450 58 M N -0.062 119.302 119.600 -0.393 0.000 2.156 58 M HA -0.039 4.442 4.480 0.001 0.000 0.264 58 M C 2.494 178.654 176.300 -0.233 0.000 1.067 58 M CA 1.345 56.372 55.300 -0.456 0.000 1.131 58 M CB -0.370 32.016 32.600 -0.357 0.000 1.368 58 M HN 0.212 nan 8.290 nan 0.000 0.416 59 G N 0.419 109.148 108.800 -0.118 0.000 2.446 59 G HA2 -0.235 3.726 3.960 0.001 0.000 0.217 59 G HA3 -0.235 3.726 3.960 0.001 0.000 0.217 59 G C 1.304 176.156 174.900 -0.080 0.000 1.168 59 G CA 1.006 46.069 45.100 -0.062 0.000 0.771 59 G HN 0.478 nan 8.290 nan 0.000 0.551 60 E N 0.059 120.207 120.200 -0.086 0.000 2.160 60 E HA -0.097 4.254 4.350 0.001 0.000 0.195 60 E C 2.233 178.782 176.600 -0.085 0.000 0.991 60 E CA 1.040 57.395 56.400 -0.074 0.000 0.810 60 E CB -0.147 29.517 29.700 -0.060 0.000 0.742 60 E HN 0.774 nan 8.360 nan 0.000 0.466 61 I N -4.114 116.382 120.570 -0.123 0.000 3.904 61 I HA 0.389 4.559 4.170 0.001 0.000 0.333 61 I C 0.757 176.811 176.117 -0.105 0.000 1.361 61 I CA 0.151 61.385 61.300 -0.110 0.000 1.116 61 I CB 0.221 38.146 38.000 -0.124 0.000 1.028 61 I HN 0.035 nan 8.210 nan 0.000 0.398 62 G N 2.664 111.401 108.800 -0.104 0.000 2.289 62 G HA2 -0.226 3.734 3.960 0.001 0.000 0.280 62 G HA3 -0.226 3.734 3.960 0.001 0.000 0.280 62 G C 0.124 174.964 174.900 -0.099 0.000 1.089 62 G CA 0.366 45.411 45.100 -0.093 0.000 0.939 62 G HN 0.512 nan 8.290 nan 0.000 0.499 63 L N -1.141 120.013 121.223 -0.115 0.000 3.016 63 L HA 0.400 4.740 4.340 0.001 0.000 0.267 63 L C 1.025 177.845 176.870 -0.083 0.000 1.182 63 L CA -0.206 54.574 54.840 -0.101 0.000 0.997 63 L CB 0.269 42.256 42.059 -0.120 0.000 1.354 63 L HN 0.195 nan 8.230 nan 0.000 0.569 64 L N 0.763 121.939 121.223 -0.080 0.000 2.307 64 L HA 0.487 4.828 4.340 0.001 0.000 0.282 64 L C 0.942 177.757 176.870 -0.093 0.000 1.051 64 L CA -0.350 54.459 54.840 -0.051 0.000 0.804 64 L CB 1.354 43.417 42.059 0.007 0.000 1.197 64 L HN 0.240 nan 8.230 nan 0.000 0.431 65 G N 3.987 112.707 108.800 -0.133 0.000 2.372 65 G HA2 -0.190 3.770 3.960 0.001 0.000 0.290 65 G HA3 -0.190 3.770 3.960 0.001 0.000 0.290 65 G C -1.935 172.807 174.900 -0.263 0.000 0.965 65 G CA -0.490 44.483 45.100 -0.212 0.000 1.263 65 G HN 0.580 nan 8.290 nan 0.000 0.498 66 P HA -0.095 nan 4.420 nan 0.000 0.218 66 P C 2.101 179.227 177.300 -0.289 0.000 1.149 66 P CA 2.024 64.972 63.100 -0.254 0.000 0.817 66 P CB 0.049 31.628 31.700 -0.203 0.000 0.785 67 T N -4.136 110.183 114.554 -0.391 0.000 3.100 67 T HA 0.072 4.422 4.350 0.001 0.000 0.253 67 T C 0.905 175.355 174.700 -0.417 0.000 1.118 67 T CA 0.013 61.859 62.100 -0.424 0.000 1.058 67 T CB -0.656 67.863 68.868 -0.581 0.000 0.953 67 T HN -0.168 nan 8.240 nan 0.000 0.515 68 I N 3.487 123.812 120.570 -0.409 0.000 2.533 68 I HA 0.277 4.447 4.170 0.001 0.000 0.284 68 I C -2.263 173.636 176.117 -0.364 0.000 1.109 68 I CA -2.934 58.060 61.300 -0.510 0.000 1.412 68 I CB 0.178 37.965 38.000 -0.355 0.000 1.396 68 I HN 0.037 nan 8.210 nan 0.000 0.543 69 P HA 0.029 nan 4.420 nan 0.000 0.269 69 P C 0.690 177.923 177.300 -0.112 0.000 1.217 69 P CA -0.039 62.953 63.100 -0.181 0.000 0.783 69 P CB 0.582 32.234 31.700 -0.079 0.000 0.898 70 E N 0.805 120.942 120.200 -0.105 0.000 2.160 70 E HA -0.286 4.064 4.350 0.001 0.000 0.195 70 E C 1.816 178.344 176.600 -0.121 0.000 0.991 70 E CA 0.921 57.263 56.400 -0.097 0.000 0.810 70 E CB -0.193 29.455 29.700 -0.087 0.000 0.742 70 E HN 0.576 nan 8.360 nan 0.000 0.466 71 Q N 0.037 119.730 119.800 -0.178 0.000 2.133 71 Q HA -0.221 4.120 4.340 0.001 0.000 0.208 71 Q C 0.731 176.463 176.000 -0.448 0.000 0.991 71 Q CA 1.615 57.204 55.803 -0.357 0.000 0.867 71 Q CB -0.004 28.425 28.738 -0.514 0.000 0.911 71 Q HN 0.398 nan 8.270 nan 0.000 0.417 72 Y N -1.791 118.498 120.300 -0.018 0.000 2.607 72 Y HA 0.333 4.883 4.550 0.001 0.000 0.266 72 Y C 1.164 177.041 175.900 -0.039 0.000 1.178 72 Y CA 0.307 58.405 58.100 -0.005 0.000 1.226 72 Y CB 1.090 39.577 38.460 0.044 0.000 1.144 72 Y HN 0.279 nan 8.280 nan 0.000 0.528 73 G N -0.616 108.199 108.800 0.025 0.000 2.194 73 G HA2 -0.225 3.736 3.960 0.001 0.000 0.236 73 G HA3 -0.225 3.736 3.960 0.001 0.000 0.236 73 G C 0.771 175.647 174.900 -0.039 0.000 0.987 73 G CA -0.215 44.878 45.100 -0.012 0.000 0.635 73 G HN 0.726 nan 8.290 nan 0.000 0.520 74 G N 0.271 109.039 108.800 -0.054 0.000 2.572 74 G HA2 0.561 4.522 3.960 0.001 0.000 0.261 74 G HA3 0.561 4.522 3.960 0.001 0.000 0.261 74 G C -0.608 174.227 174.900 -0.108 0.000 1.197 74 G CA -0.241 44.797 45.100 -0.103 0.000 0.870 74 G HN 0.134 nan 8.290 nan 0.000 0.548 75 P HA 0.081 nan 4.420 nan 0.000 0.249 75 P C 1.062 178.292 177.300 -0.117 0.000 1.229 75 P CA 0.693 63.730 63.100 -0.106 0.000 0.788 75 P CB 0.282 31.922 31.700 -0.100 0.000 1.072 76 G N 0.516 109.228 108.800 -0.147 0.000 2.366 76 G HA2 -0.253 3.707 3.960 0.001 0.000 0.299 76 G HA3 -0.253 3.707 3.960 0.001 0.000 0.299 76 G C -0.070 174.743 174.900 -0.146 0.000 1.020 76 G CA 0.033 45.041 45.100 -0.154 0.000 1.026 76 G HN 0.300 nan 8.290 nan 0.000 0.512 77 L N -0.603 120.519 121.223 -0.168 0.000 2.440 77 L HA 0.662 5.002 4.340 0.001 0.000 0.262 77 L C 0.805 177.559 176.870 -0.193 0.000 1.072 77 L CA -0.897 53.855 54.840 -0.147 0.000 0.798 77 L CB 0.511 42.496 42.059 -0.123 0.000 1.307 77 L HN 0.396 nan 8.230 nan 0.000 0.475 78 D N -2.392 117.917 120.400 -0.151 0.000 2.487 78 D HA 0.113 4.753 4.640 0.001 0.000 0.262 78 D C 0.533 176.740 176.300 -0.155 0.000 1.130 78 D CA -0.341 53.555 54.000 -0.174 0.000 1.038 78 D CB 0.413 41.177 40.800 -0.059 0.000 1.142 78 D HN 0.335 nan 8.370 nan 0.000 0.575 79 Y N -0.439 119.874 120.300 0.021 0.000 2.274 79 Y HA -0.115 4.435 4.550 0.001 0.000 0.290 79 Y C 2.362 178.349 175.900 0.145 0.000 1.145 79 Y CA 0.902 59.049 58.100 0.078 0.000 1.203 79 Y CB -0.494 37.877 38.460 -0.148 0.000 0.984 79 Y HN 0.189 nan 8.280 nan 0.000 0.533 80 V N -1.249 118.780 119.914 0.192 0.000 2.343 80 V HA -0.291 3.829 4.120 0.001 0.000 0.247 80 V C 2.274 178.215 176.094 -0.256 0.000 1.051 80 V CA 2.084 64.388 62.300 0.006 0.000 1.036 80 V CB -0.881 30.993 31.823 0.084 0.000 0.654 80 V HN 0.332 nan 8.190 nan 0.000 0.451 81 S N -1.341 114.288 115.700 -0.119 0.000 2.356 81 S HA -0.251 4.219 4.470 0.001 0.000 0.223 81 S C 1.822 176.357 174.600 -0.108 0.000 1.032 81 S CA 1.936 60.058 58.200 -0.130 0.000 1.005 81 S CB -0.548 62.606 63.200 -0.077 0.000 0.867 81 S HN 0.715 nan 8.310 nan 0.000 0.449 82 Y N 2.039 122.235 120.300 -0.172 0.000 2.114 82 Y HA -0.264 4.287 4.550 0.001 0.000 0.282 82 Y C 2.482 178.222 175.900 -0.266 0.000 1.165 82 Y CA 1.130 59.157 58.100 -0.122 0.000 1.148 82 Y CB -0.724 37.757 38.460 0.034 0.000 0.972 82 Y HN 0.337 nan 8.280 nan 0.000 0.504 83 G N 0.577 108.974 108.800 -0.671 0.000 2.446 83 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 83 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 83 G C 1.558 175.756 174.900 -1.170 0.000 1.168 83 G CA 1.277 45.373 45.100 -1.674 0.000 0.771 83 G HN 0.445 nan 8.290 nan 0.000 0.551 84 L N 0.025 120.662 121.223 -0.977 0.000 2.079 84 L HA -0.053 4.288 4.340 0.001 0.000 0.210 84 L C 2.851 179.612 176.870 -0.181 0.000 1.081 84 L CA 0.636 55.205 54.840 -0.451 0.000 0.752 84 L CB -0.331 41.543 42.059 -0.309 0.000 0.896 84 L HN 0.225 nan 8.230 nan 0.000 0.433 85 I N -0.307 120.173 120.570 -0.151 0.000 2.163 85 I HA -0.273 3.898 4.170 0.001 0.000 0.240 85 I C 2.828 178.942 176.117 -0.004 0.000 1.081 85 I CA 1.186 62.469 61.300 -0.029 0.000 1.353 85 I CB -0.501 37.516 38.000 0.030 0.000 1.054 85 I HN 0.180 nan 8.210 nan 0.000 0.407 86 A N 0.779 123.564 122.820 -0.058 0.000 1.917 86 A HA -0.297 4.023 4.320 0.001 0.000 0.219 86 A C 2.438 180.034 177.584 0.020 0.000 1.182 86 A CA 2.201 54.217 52.037 -0.034 0.000 0.633 86 A CB -0.777 18.121 19.000 -0.169 0.000 0.819 86 A HN 0.400 nan 8.150 nan 0.000 0.448 87 R N -0.702 119.820 120.500 0.036 0.000 2.081 87 R HA -0.139 4.202 4.340 0.001 0.000 0.235 87 R C 1.848 178.204 176.300 0.094 0.000 1.131 87 R CA 1.562 57.725 56.100 0.104 0.000 0.960 87 R CB -0.181 30.248 30.300 0.216 0.000 0.856 87 R HN 0.453 nan 8.270 nan 0.000 0.436 88 E N 0.145 120.397 120.200 0.088 0.000 2.106 88 E HA -0.114 4.236 4.350 0.001 0.000 0.192 88 E C 2.070 178.725 176.600 0.093 0.000 0.984 88 E CA 1.046 57.510 56.400 0.107 0.000 0.806 88 E CB -0.142 29.630 29.700 0.121 0.000 0.750 88 E HN 0.217 nan 8.360 nan 0.000 0.458 89 V N 1.060 121.033 119.914 0.097 0.000 2.358 89 V HA -0.207 3.914 4.120 0.001 0.000 0.246 89 V C 2.382 178.558 176.094 0.138 0.000 1.047 89 V CA 1.893 64.265 62.300 0.120 0.000 1.035 89 V CB -0.389 31.512 31.823 0.129 0.000 0.658 89 V HN 0.230 nan 8.190 nan 0.000 0.452 90 E N 0.104 120.372 120.200 0.114 0.000 2.208 90 E HA -0.202 4.148 4.350 0.001 0.000 0.193 90 E C 2.371 179.058 176.600 0.146 0.000 0.988 90 E CA 0.576 57.047 56.400 0.119 0.000 0.828 90 E CB -0.087 29.659 29.700 0.077 0.000 0.763 90 E HN 0.428 nan 8.360 nan 0.000 0.478 91 R N 0.015 120.581 120.500 0.110 0.000 2.103 91 R HA -0.188 4.153 4.340 0.001 0.000 0.242 91 R C 1.944 178.360 176.300 0.193 0.000 1.142 91 R CA 1.791 57.949 56.100 0.097 0.000 0.960 91 R CB -0.188 30.163 30.300 0.086 0.000 0.858 91 R HN 0.122 nan 8.270 nan 0.000 0.439 92 V N -0.326 119.690 119.914 0.170 0.000 2.239 92 V HA -0.099 4.022 4.120 0.001 0.000 0.242 92 V C 0.531 176.726 176.094 0.169 0.000 1.038 92 V CA 1.923 64.326 62.300 0.172 0.000 1.002 92 V CB -0.362 31.542 31.823 0.135 0.000 0.641 92 V HN 0.468 nan 8.190 nan 0.000 0.449 93 D N -3.080 117.416 120.400 0.159 0.000 2.836 93 D HA 0.276 4.917 4.640 0.001 0.000 0.215 93 D C 0.471 176.793 176.300 0.038 0.000 1.255 93 D CA 0.010 54.004 54.000 -0.009 0.000 0.822 93 D CB 1.799 42.461 40.800 -0.231 0.000 1.656 93 D HN -0.079 nan 8.370 nan 0.000 0.511 94 S N 1.280 116.997 115.700 0.029 0.000 2.402 94 S HA -0.008 4.462 4.470 0.001 0.000 0.229 94 S C 1.965 176.575 174.600 0.017 0.000 1.021 94 S CA 1.008 59.233 58.200 0.042 0.000 0.974 94 S CB -0.109 63.118 63.200 0.046 0.000 0.800 94 S HN 0.645 nan 8.310 nan 0.000 0.484 95 G N 0.262 109.039 108.800 -0.039 0.000 2.418 95 G HA2 -0.196 3.764 3.960 0.001 0.000 0.217 95 G HA3 -0.196 3.764 3.960 0.001 0.000 0.217 95 G C 1.099 176.002 174.900 0.005 0.000 1.158 95 G CA 0.561 45.632 45.100 -0.049 0.000 0.771 95 G HN 0.584 nan 8.290 nan 0.000 0.545 96 Y N 0.000 120.327 120.300 0.045 0.000 2.242 96 Y HA -0.045 4.506 4.550 0.001 0.000 0.291 96 Y C 3.055 178.961 175.900 0.010 0.000 1.137 96 Y CA 0.853 58.961 58.100 0.013 0.000 1.181 96 Y CB -0.045 38.422 38.460 0.011 0.000 0.989 96 Y HN 0.025 nan 8.280 nan 0.000 0.527 97 R N 0.553 121.156 120.500 0.172 0.000 2.081 97 R HA -0.159 4.181 4.340 0.001 0.000 0.235 97 R C 2.438 178.793 176.300 0.092 0.000 1.131 97 R CA 1.492 57.661 56.100 0.114 0.000 0.960 97 R CB -0.782 29.569 30.300 0.085 0.000 0.856 97 R HN 0.224 nan 8.270 nan 0.000 0.436 98 S N 0.593 116.336 115.700 0.072 0.000 2.368 98 S HA -0.209 4.262 4.470 0.001 0.000 0.226 98 S C 2.129 176.794 174.600 0.107 0.000 1.044 98 S CA 2.092 60.325 58.200 0.056 0.000 1.062 98 S CB -0.152 63.068 63.200 0.033 0.000 0.931 98 S HN 0.377 nan 8.310 nan 0.000 0.440 99 M N 0.362 120.045 119.600 0.138 0.000 2.108 99 M HA -0.134 4.347 4.480 0.001 0.000 0.261 99 M C 2.413 178.834 176.300 0.201 0.000 1.066 99 M CA 1.880 57.302 55.300 0.204 0.000 1.107 99 M CB -0.355 32.300 32.600 0.091 0.000 1.356 99 M HN 0.455 nan 8.290 nan 0.000 0.406 100 M N -0.594 119.060 119.600 0.090 0.000 2.200 100 M HA -0.143 4.338 4.480 0.001 0.000 0.265 100 M C 2.003 178.397 176.300 0.156 0.000 1.066 100 M CA 1.595 56.954 55.300 0.099 0.000 1.127 100 M CB -0.106 32.531 32.600 0.062 0.000 1.379 100 M HN 0.150 nan 8.290 nan 0.000 0.420 101 S N 0.431 116.225 115.700 0.155 0.000 2.370 101 S HA -0.130 4.340 4.470 0.001 0.000 0.226 101 S C 1.866 176.535 174.600 0.115 0.000 1.033 101 S CA 1.519 59.819 58.200 0.166 0.000 1.011 101 S CB -0.470 62.792 63.200 0.104 0.000 0.852 101 S HN 0.423 nan 8.310 nan 0.000 0.457 102 V N 1.510 121.492 119.914 0.113 0.000 2.261 102 V HA -0.232 3.888 4.120 0.001 0.000 0.246 102 V C 2.582 178.740 176.094 0.106 0.000 1.047 102 V CA 2.145 64.503 62.300 0.097 0.000 1.015 102 V CB -0.741 31.170 31.823 0.147 0.000 0.642 102 V HN 0.398 nan 8.190 nan 0.000 0.446 103 Q N 0.137 120.039 119.800 0.170 0.000 2.061 103 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 103 Q C 2.313 178.358 176.000 0.074 0.000 0.984 103 Q CA 2.592 58.486 55.803 0.151 0.000 0.846 103 Q CB -0.282 28.620 28.738 0.275 0.000 0.902 103 Q HN 0.653 nan 8.270 nan 0.000 0.421 104 S N -0.935 114.790 115.700 0.041 0.000 2.341 104 S HA 0.007 4.477 4.470 0.001 0.000 0.216 104 S C 2.043 176.599 174.600 -0.074 0.000 1.034 104 S CA 0.997 59.154 58.200 -0.073 0.000 0.964 104 S CB -0.231 62.852 63.200 -0.196 0.000 0.882 104 S HN 0.300 nan 8.310 nan 0.000 0.469 105 S N 0.966 116.663 115.700 -0.005 0.000 2.439 105 S HA 0.289 4.760 4.470 0.001 0.000 0.224 105 S C 1.494 176.084 174.600 -0.016 0.000 1.029 105 S CA 0.429 58.648 58.200 0.031 0.000 0.946 105 S CB -0.054 63.234 63.200 0.147 0.000 0.797 105 S HN 0.294 nan 8.310 nan 0.000 0.504 106 L N 0.308 121.490 121.223 -0.068 0.000 2.616 106 L HA 0.258 4.598 4.340 0.001 0.000 0.229 106 L C 1.110 178.043 176.870 0.105 0.000 1.110 106 L CA 0.111 54.819 54.840 -0.220 0.000 0.884 106 L CB 0.292 42.040 42.059 -0.518 0.000 1.115 106 L HN 0.162 nan 8.230 nan 0.000 0.481 107 V N -1.615 118.364 119.914 0.108 0.000 3.278 107 V HA 0.040 4.160 4.120 0.001 0.000 0.215 107 V C 1.958 178.111 176.094 0.098 0.000 1.287 107 V CA 0.301 62.679 62.300 0.130 0.000 1.302 107 V CB 0.207 32.080 31.823 0.084 0.000 1.228 107 V HN 0.124 nan 8.190 nan 0.000 0.523 108 M N 0.152 119.791 119.600 0.064 0.000 2.117 108 M HA -0.133 4.347 4.480 0.001 0.000 0.262 108 M C 2.192 178.528 176.300 0.061 0.000 1.065 108 M CA 1.626 56.955 55.300 0.048 0.000 1.114 108 M CB -0.443 32.158 32.600 0.001 0.000 1.361 108 M HN 0.249 nan 8.290 nan 0.000 0.408 109 V N 1.238 121.181 119.914 0.049 0.000 2.233 109 V HA -0.191 3.929 4.120 0.001 0.000 0.247 109 V C -0.498 175.619 176.094 0.038 0.000 1.050 109 V CA 2.262 64.600 62.300 0.063 0.000 1.010 109 V CB -2.006 29.852 31.823 0.057 0.000 0.637 109 V HN 0.299 nan 8.190 nan 0.000 0.444 110 P HA -0.112 nan 4.420 nan 0.000 0.219 110 P C 1.837 179.208 177.300 0.119 0.000 1.150 110 P CA 1.550 64.781 63.100 0.218 0.000 0.814 110 P CB -0.012 32.065 31.700 0.627 0.000 0.787 111 I N -1.299 119.327 120.570 0.093 0.000 2.142 111 I HA -0.238 3.932 4.170 0.001 0.000 0.240 111 I C 2.514 178.626 176.117 -0.007 0.000 1.078 111 I CA 1.455 62.779 61.300 0.041 0.000 1.343 111 I CB -0.759 37.262 38.000 0.036 0.000 1.046 111 I HN -0.158 nan 8.210 nan 0.000 0.405 112 F N 1.958 121.816 119.950 -0.153 0.000 2.134 112 F HA -0.241 4.287 4.527 0.001 0.000 0.299 112 F C 2.387 178.054 175.800 -0.222 0.000 1.097 112 F CA 1.911 59.778 58.000 -0.222 0.000 1.264 112 F CB -0.143 38.743 39.000 -0.189 0.000 1.001 112 F HN -0.033 nan 8.300 nan 0.000 0.479 113 E N -0.557 119.383 120.200 -0.433 0.000 2.076 113 E HA -0.071 4.280 4.350 0.001 0.000 0.190 113 E C 1.443 177.717 176.600 -0.544 0.000 0.979 113 E CA 1.591 57.555 56.400 -0.727 0.000 0.807 113 E CB -0.254 28.768 29.700 -1.129 0.000 0.761 113 E HN 0.408 nan 8.360 nan 0.000 0.454 114 F N -1.380 118.569 119.950 -0.001 0.000 2.728 114 F HA 0.425 4.952 4.527 0.001 0.000 0.314 114 F C 1.130 176.971 175.800 0.069 0.000 1.094 114 F CA 0.035 58.077 58.000 0.068 0.000 1.217 114 F CB -0.127 38.933 39.000 0.101 0.000 1.056 114 F HN -0.082 nan 8.300 nan 0.000 0.577 115 G N 0.475 109.356 108.800 0.134 0.000 2.562 115 G HA2 0.396 4.357 3.960 0.001 0.000 0.275 115 G HA3 0.396 4.357 3.960 0.001 0.000 0.275 115 G C 0.058 175.023 174.900 0.108 0.000 1.196 115 G CA -0.224 44.918 45.100 0.069 0.000 0.908 115 G HN 0.204 nan 8.290 nan 0.000 0.524 116 S N -0.258 115.476 115.700 0.056 0.000 2.614 116 S HA 0.160 4.631 4.470 0.001 0.000 0.265 116 S C 0.729 175.380 174.600 0.086 0.000 1.303 116 S CA -0.124 58.132 58.200 0.094 0.000 1.000 116 S CB 1.341 64.565 63.200 0.041 0.000 0.935 116 S HN 0.472 nan 8.310 nan 0.000 0.551 117 D N 1.673 122.136 120.400 0.105 0.000 2.133 117 D HA -0.138 4.502 4.640 0.001 0.000 0.192 117 D C 2.212 178.585 176.300 0.122 0.000 1.001 117 D CA 2.176 56.247 54.000 0.119 0.000 0.844 117 D CB -0.882 39.992 40.800 0.123 0.000 0.944 117 D HN 0.724 nan 8.370 nan 0.000 0.447 118 A N 0.390 123.272 122.820 0.103 0.000 1.883 118 A HA -0.275 4.046 4.320 0.001 0.000 0.217 118 A C 2.138 179.794 177.584 0.119 0.000 1.186 118 A CA 1.865 53.961 52.037 0.097 0.000 0.624 118 A CB -0.721 18.327 19.000 0.081 0.000 0.822 118 A HN 0.260 nan 8.150 nan 0.000 0.444 119 Q N -0.569 119.319 119.800 0.147 0.000 2.119 119 Q HA -0.146 4.194 4.340 0.001 0.000 0.201 119 Q C 2.119 178.271 176.000 0.254 0.000 0.972 119 Q CA 1.666 57.628 55.803 0.266 0.000 0.847 119 Q CB -0.137 28.717 28.738 0.192 0.000 0.903 119 Q HN 0.649 nan 8.270 nan 0.000 0.433 120 K N 0.578 121.030 120.400 0.087 0.000 2.057 120 K HA -0.164 4.156 4.320 0.001 0.000 0.206 120 K C 1.921 178.564 176.600 0.071 0.000 1.050 120 K CA 1.528 57.771 56.287 -0.074 0.000 0.935 120 K CB 0.017 32.252 32.500 -0.442 0.000 0.715 120 K HN 0.367 nan 8.250 nan 0.000 0.439 121 E N 0.921 121.233 120.200 0.186 0.000 2.216 121 E HA -0.139 4.212 4.350 0.001 0.000 0.192 121 E C 1.905 178.563 176.600 0.097 0.000 0.988 121 E CA 0.649 57.182 56.400 0.222 0.000 0.834 121 E CB -0.016 29.808 29.700 0.206 0.000 0.772 121 E HN 0.176 nan 8.360 nan 0.000 0.479 122 K N 0.269 120.694 120.400 0.042 0.000 2.062 122 K HA -0.120 4.201 4.320 0.001 0.000 0.205 122 K C 1.373 177.906 176.600 -0.111 0.000 1.051 122 K CA 1.278 57.495 56.287 -0.116 0.000 0.941 122 K CB 0.036 32.358 32.500 -0.297 0.000 0.719 122 K HN 0.125 nan 8.250 nan 0.000 0.440 123 Y N 0.169 120.594 120.300 0.209 0.000 2.422 123 Y HA 0.091 4.642 4.550 0.001 0.000 0.291 123 Y C 1.961 177.973 175.900 0.186 0.000 1.144 123 Y CA 0.184 58.464 58.100 0.300 0.000 1.208 123 Y CB -0.108 38.493 38.460 0.235 0.000 1.195 123 Y HN -0.109 nan 8.280 nan 0.000 0.535 124 L N 0.294 121.676 121.223 0.265 0.000 1.989 124 L HA -0.183 4.157 4.340 0.001 0.000 0.211 124 L C -0.561 176.379 176.870 0.116 0.000 1.071 124 L CA 1.591 56.532 54.840 0.167 0.000 0.749 124 L CB -1.764 40.361 42.059 0.110 0.000 0.890 124 L HN 0.163 nan 8.230 nan 0.000 0.431 125 P HA -0.183 nan 4.420 nan 0.000 0.216 125 P C 1.279 178.541 177.300 -0.063 0.000 1.150 125 P CA 1.425 64.531 63.100 0.010 0.000 0.837 125 P CB 0.001 31.692 31.700 -0.015 0.000 0.786 126 K N -1.014 119.305 120.400 -0.134 0.000 2.228 126 K HA 0.047 4.367 4.320 0.001 0.000 0.202 126 K C 1.958 178.547 176.600 -0.018 0.000 1.051 126 K CA 0.776 56.912 56.287 -0.251 0.000 0.960 126 K CB -0.423 31.583 32.500 -0.824 0.000 0.743 126 K HN 0.207 nan 8.250 nan 0.000 0.458 127 L N 0.396 121.685 121.223 0.110 0.000 2.109 127 L HA -0.078 4.263 4.340 0.001 0.000 0.207 127 L C 2.464 179.381 176.870 0.078 0.000 1.086 127 L CA 0.831 55.755 54.840 0.140 0.000 0.760 127 L CB -0.407 41.750 42.059 0.163 0.000 0.910 127 L HN 0.111 nan 8.230 nan 0.000 0.437 128 A N -0.130 122.713 122.820 0.038 0.000 2.015 128 A HA -0.173 4.147 4.320 0.001 0.000 0.219 128 A C 2.339 179.920 177.584 -0.006 0.000 1.163 128 A CA 2.027 54.067 52.037 0.005 0.000 0.646 128 A CB -0.749 18.244 19.000 -0.011 0.000 0.806 128 A HN 0.508 nan 8.150 nan 0.000 0.448 129 T N -5.197 109.351 114.554 -0.010 0.000 3.057 129 T HA 0.398 4.748 4.350 0.001 0.000 0.254 129 T C 1.483 176.195 174.700 0.021 0.000 1.094 129 T CA 1.112 63.201 62.100 -0.018 0.000 1.088 129 T CB 0.177 69.015 68.868 -0.050 0.000 0.934 129 T HN 1.622 nan 8.240 nan 0.000 0.497 130 G N 1.597 110.438 108.800 0.067 0.000 2.176 130 G HA2 -0.346 3.615 3.960 0.001 0.000 0.253 130 G HA3 -0.346 3.615 3.960 0.001 0.000 0.253 130 G C 0.604 175.575 174.900 0.119 0.000 0.979 130 G CA 0.782 45.969 45.100 0.147 0.000 0.641 130 G HN 0.681 nan 8.290 nan 0.000 0.530 131 E N -1.103 119.125 120.200 0.046 0.000 2.058 131 E HA -0.080 4.270 4.350 0.001 0.000 0.194 131 E C 0.650 177.358 176.600 0.179 0.000 0.997 131 E CA 0.983 57.396 56.400 0.022 0.000 0.801 131 E CB 0.028 29.634 29.700 -0.156 0.000 0.746 131 E HN 0.465 nan 8.360 nan 0.000 0.450 132 W N 0.638 121.936 121.300 -0.003 0.000 2.469 132 W HA 0.477 5.138 4.660 0.001 0.000 0.320 132 W C -0.418 176.030 176.519 -0.117 0.000 1.086 132 W CA -1.146 56.179 57.345 -0.033 0.000 1.211 132 W CB 0.585 30.058 29.460 0.022 0.000 1.298 132 W HN 0.010 nan 8.180 nan 0.000 0.525 133 I N 2.738 123.289 120.570 -0.032 0.000 2.377 133 I HA 0.515 4.685 4.170 0.001 0.000 0.293 133 I C 0.923 176.847 176.117 -0.323 0.000 0.987 133 I CA -0.476 60.594 61.300 -0.382 0.000 1.185 133 I CB 1.225 38.840 38.000 -0.642 0.000 1.341 133 I HN 0.396 nan 8.210 nan 0.000 0.455 134 G N 4.244 112.876 108.800 -0.280 0.000 2.434 134 G HA2 0.632 4.593 3.960 0.001 0.000 0.330 134 G HA3 0.632 4.593 3.960 0.001 0.000 0.330 134 G C -0.752 174.017 174.900 -0.218 0.000 1.155 134 G CA -0.438 44.534 45.100 -0.213 0.000 0.917 134 G HN 0.884 nan 8.290 nan 0.000 0.493 135 C N -0.879 118.288 119.300 -0.223 0.000 3.285 135 C HA 0.896 5.357 4.460 0.001 0.000 0.320 135 C C -1.221 173.859 174.990 0.151 0.000 1.411 135 C CA -1.533 57.457 59.018 -0.046 0.000 1.429 135 C CB 1.018 28.677 27.740 -0.134 0.000 1.812 135 C HN 0.853 nan 8.230 nan 0.000 0.454 136 F N 0.946 120.949 119.950 0.089 0.000 2.617 136 F HA 0.652 5.179 4.527 0.001 0.000 0.325 136 F C -0.005 175.940 175.800 0.241 0.000 1.179 136 F CA -0.036 58.075 58.000 0.186 0.000 0.965 136 F CB 1.339 40.474 39.000 0.226 0.000 1.232 136 F HN 1.124 nan 8.300 nan 0.000 0.461 137 G N 6.161 114.872 108.800 -0.150 0.000 2.504 137 G HA2 0.465 4.426 3.960 0.001 0.000 0.326 137 G HA3 0.465 4.426 3.960 0.001 0.000 0.326 137 G C -0.674 174.132 174.900 -0.158 0.000 1.073 137 G CA -0.261 44.786 45.100 -0.089 0.000 1.030 137 G HN 0.777 nan 8.290 nan 0.000 0.448 138 L N 2.490 123.629 121.223 -0.139 0.000 2.688 138 L HA 0.353 4.694 4.340 0.001 0.000 0.216 138 L C 1.470 178.366 176.870 0.045 0.000 1.036 138 L CA 0.856 55.672 54.840 -0.040 0.000 0.906 138 L CB 0.337 42.322 42.059 -0.123 0.000 1.501 138 L HN 0.456 nan 8.230 nan 0.000 0.489 139 T N -0.643 113.968 114.554 0.094 0.000 2.869 139 T HA 0.518 4.868 4.350 0.001 0.000 0.295 139 T C -0.127 174.592 174.700 0.032 0.000 0.987 139 T CA -0.480 61.665 62.100 0.075 0.000 1.109 139 T CB 1.184 70.123 68.868 0.120 0.000 0.932 139 T HN 0.283 nan 8.240 nan 0.000 0.518 140 E N 2.734 122.904 120.200 -0.049 0.000 2.263 140 E HA 0.327 4.677 4.350 0.001 0.000 0.264 140 E C -1.781 174.765 176.600 -0.090 0.000 0.923 140 E CA -2.687 53.659 56.400 -0.091 0.000 0.802 140 E CB 1.646 31.240 29.700 -0.177 0.000 1.228 140 E HN 0.288 nan 8.360 nan 0.000 0.417 141 P HA -0.265 nan 4.420 nan 0.000 0.228 141 P C -0.450 176.859 177.300 0.015 0.000 1.153 141 P CA 1.564 64.656 63.100 -0.013 0.000 0.897 141 P CB 0.112 31.810 31.700 -0.003 0.000 0.782 142 N N -2.006 116.668 118.700 -0.042 0.000 4.961 142 N HA 0.010 4.750 4.740 0.001 0.000 0.150 142 N C -1.537 174.025 175.510 0.087 0.000 1.269 142 N CA -0.289 52.763 53.050 0.003 0.000 0.971 142 N CB -0.389 38.140 38.487 0.071 0.000 1.663 142 N HN 0.324 nan 8.380 nan 0.000 0.929 143 H N -0.370 118.713 119.070 0.021 0.000 3.952 143 H HA 0.277 4.834 4.556 0.001 0.000 0.494 143 H C -0.618 174.720 175.328 0.016 0.000 1.826 143 H CA -0.658 55.394 56.048 0.006 0.000 1.639 143 H CB -0.367 29.396 29.762 0.001 0.000 2.914 143 H HN 0.371 nan 8.280 nan 0.000 0.375 149 S N 0.981 116.736 115.700 0.090 0.000 2.557 149 S HA 0.351 4.821 4.470 0.001 0.000 0.223 149 S C 1.299 176.035 174.600 0.226 0.000 0.969 149 S CA 0.382 58.659 58.200 0.128 0.000 0.927 149 S CB -0.532 62.761 63.200 0.154 0.000 0.806 149 S HN 0.818 nan 8.310 nan 0.000 0.489 150 M N 0.332 120.031 119.600 0.165 0.000 2.252 150 M HA 0.311 4.792 4.480 0.001 0.000 0.329 150 M C 0.242 176.637 176.300 0.157 0.000 1.101 150 M CA 0.052 55.443 55.300 0.153 0.000 1.117 150 M CB 0.666 33.316 32.600 0.084 0.000 1.563 150 M HN -0.081 nan 8.290 nan 0.000 0.445 151 V N 1.039 121.057 119.914 0.172 0.000 3.645 151 V HA 0.053 4.173 4.120 0.001 0.000 0.275 151 V C 0.763 176.893 176.094 0.060 0.000 1.356 151 V CA 0.396 62.769 62.300 0.121 0.000 1.051 151 V CB 0.450 32.369 31.823 0.160 0.000 0.828 151 V HN 1.035 nan 8.190 nan 0.000 0.441 152 T N 2.706 117.287 114.554 0.045 0.000 2.902 152 T HA 0.304 4.654 4.350 0.001 0.000 0.301 152 T C 0.043 174.744 174.700 0.000 0.000 1.012 152 T CA 0.500 62.605 62.100 0.008 0.000 1.151 152 T CB 0.496 69.364 68.868 -0.001 0.000 0.946 152 T HN 0.413 nan 8.240 nan 0.000 0.542 153 R N 1.629 122.107 120.500 -0.037 0.000 2.574 153 R HA 0.645 4.986 4.340 0.001 0.000 0.288 153 R C -1.438 174.799 176.300 -0.105 0.000 1.004 153 R CA -0.552 55.525 56.100 -0.039 0.000 0.895 153 R CB 1.214 31.506 30.300 -0.014 0.000 1.191 153 R HN 0.660 nan 8.270 nan 0.000 0.444 154 A N 4.575 127.326 122.820 -0.116 0.000 2.288 154 A HA 0.673 4.993 4.320 0.001 0.000 0.320 154 A C -0.744 176.839 177.584 -0.002 0.000 1.217 154 A CA -0.865 51.063 52.037 -0.182 0.000 0.840 154 A CB 0.747 19.495 19.000 -0.420 0.000 1.179 154 A HN 0.610 nan 8.150 nan 0.000 0.504 155 R N 2.066 122.576 120.500 0.017 0.000 2.338 155 R HA 0.276 4.616 4.340 0.001 0.000 0.317 155 R C -0.583 175.776 176.300 0.098 0.000 0.968 155 R CA -0.648 55.487 56.100 0.057 0.000 0.849 155 R CB 1.479 31.791 30.300 0.019 0.000 1.128 155 R HN 0.766 nan 8.270 nan 0.000 0.448 156 K N 2.429 122.887 120.400 0.096 0.000 2.402 156 K HA 0.111 4.432 4.320 0.001 0.000 0.285 156 K C 0.090 176.656 176.600 -0.057 0.000 1.054 156 K CA -0.106 56.165 56.287 -0.025 0.000 1.001 156 K CB 0.349 32.852 32.500 0.005 0.000 0.946 156 K HN 0.475 nan 8.250 nan 0.000 0.473 157 V N 1.816 121.670 119.914 -0.101 0.000 3.126 157 V HA 0.631 4.751 4.120 0.001 0.000 0.314 157 V C -2.638 173.433 176.094 -0.038 0.000 1.138 157 V CA -2.830 59.451 62.300 -0.032 0.000 1.034 157 V CB 1.337 33.181 31.823 0.036 0.000 1.075 157 V HN 0.600 nan 8.190 nan 0.000 0.442 158 P HA 0.320 nan 4.420 nan 0.000 0.261 158 P C 0.955 178.290 177.300 0.057 0.000 1.183 158 P CA 1.998 65.091 63.100 -0.011 0.000 0.761 158 P CB 0.462 32.144 31.700 -0.032 0.000 0.785 159 G N 1.848 110.687 108.800 0.065 0.000 2.299 159 G HA2 -0.070 3.890 3.960 0.001 0.000 0.237 159 G HA3 -0.070 3.890 3.960 0.001 0.000 0.237 159 G C 0.538 175.550 174.900 0.187 0.000 1.027 159 G CA 0.330 45.547 45.100 0.196 0.000 0.619 159 G HN 0.993 nan 8.290 nan 0.000 0.513 160 G N -1.326 107.478 108.800 0.007 0.000 2.401 160 G HA2 0.522 4.482 3.960 0.001 0.000 0.068 160 G HA3 0.522 4.482 3.960 0.001 0.000 0.068 160 G C -1.019 173.421 174.900 -0.767 0.000 0.911 160 G CA 0.290 45.147 45.100 -0.404 0.000 1.242 160 G HN 1.005 nan 8.290 nan 0.000 0.504 161 Y N -0.057 120.141 120.300 -0.171 0.000 2.534 161 Y HA 0.762 5.313 4.550 0.001 0.000 0.345 161 Y C -0.002 175.798 175.900 -0.168 0.000 1.031 161 Y CA -0.587 57.426 58.100 -0.145 0.000 1.022 161 Y CB 2.541 40.889 38.460 -0.187 0.000 1.292 161 Y HN 0.514 nan 8.280 nan 0.000 0.459 162 S N 2.334 118.051 115.700 0.028 0.000 2.498 162 S HA 0.738 5.208 4.470 0.001 0.000 0.317 162 S C -1.642 172.896 174.600 -0.104 0.000 1.090 162 S CA -0.408 57.789 58.200 -0.005 0.000 1.089 162 S CB 0.274 63.497 63.200 0.037 0.000 0.997 162 S HN 0.512 nan 8.310 nan 0.000 0.470 163 L N 4.037 125.167 121.223 -0.156 0.000 2.322 163 L HA 0.640 4.980 4.340 0.001 0.000 0.281 163 L C -0.341 176.445 176.870 -0.140 0.000 1.014 163 L CA 0.140 54.850 54.840 -0.217 0.000 0.815 163 L CB 2.041 43.899 42.059 -0.335 0.000 1.247 163 L HN 0.661 nan 8.230 nan 0.000 0.421 164 S N 1.389 117.018 115.700 -0.117 0.000 2.571 164 S HA 0.960 5.431 4.470 0.001 0.000 0.284 164 S C -0.231 174.329 174.600 -0.066 0.000 1.128 164 S CA -0.383 57.770 58.200 -0.079 0.000 0.970 164 S CB 1.931 65.099 63.200 -0.054 0.000 1.039 164 S HN 1.015 nan 8.310 nan 0.000 0.485 165 G N 0.969 109.734 108.800 -0.057 0.000 2.341 165 G HA2 0.447 4.407 3.960 0.001 0.000 0.293 165 G HA3 0.447 4.407 3.960 0.001 0.000 0.293 165 G C -1.651 173.223 174.900 -0.043 0.000 1.298 165 G CA -0.544 44.533 45.100 -0.038 0.000 0.868 165 G HN 0.725 nan 8.290 nan 0.000 0.540 166 S N -0.428 115.253 115.700 -0.032 0.000 2.575 166 S HA 0.686 5.156 4.470 0.001 0.000 0.278 166 S C -0.867 173.715 174.600 -0.031 0.000 1.139 166 S CA -0.747 57.430 58.200 -0.038 0.000 0.954 166 S CB 1.211 64.387 63.200 -0.040 0.000 1.054 166 S HN 0.573 nan 8.310 nan 0.000 0.483 167 K N 2.576 122.962 120.400 -0.024 0.000 2.164 167 K HA 0.599 4.919 4.320 0.001 0.000 0.258 167 K C -0.625 175.969 176.600 -0.009 0.000 0.951 167 K CA -0.739 55.548 56.287 0.001 0.000 0.844 167 K CB 1.661 34.178 32.500 0.029 0.000 1.099 167 K HN 0.597 nan 8.250 nan 0.000 0.435 168 M N 0.693 120.296 119.600 0.006 0.000 2.591 168 M HA 0.323 4.803 4.480 0.001 0.000 0.306 168 M C -1.332 175.026 176.300 0.096 0.000 1.190 168 M CA -0.122 55.130 55.300 -0.080 0.000 0.889 168 M CB 1.077 33.586 32.600 -0.151 0.000 1.728 168 M HN 0.631 nan 8.290 nan 0.000 0.458 169 W N 3.918 125.264 121.300 0.075 0.000 5.158 169 W HA -0.162 4.498 4.660 0.001 0.000 0.393 169 W C -0.822 175.826 176.519 0.216 0.000 1.508 169 W CA -0.303 57.121 57.345 0.132 0.000 0.901 169 W CB -1.548 27.977 29.460 0.108 0.000 2.676 169 W HN 0.359 nan 8.180 nan 0.000 1.392 170 I N 1.397 122.155 120.570 0.313 0.000 2.287 170 I HA 0.118 4.288 4.170 0.001 0.000 0.290 170 I C 1.212 177.471 176.117 0.236 0.000 1.069 170 I CA -0.143 61.327 61.300 0.284 0.000 1.237 170 I CB 0.168 38.293 38.000 0.209 0.000 1.418 170 I HN -0.014 nan 8.210 nan 0.000 0.481 171 T N 5.504 120.210 114.554 0.253 0.000 2.928 171 T HA 0.066 4.416 4.350 0.001 0.000 0.305 171 T C 1.062 175.856 174.700 0.158 0.000 1.035 171 T CA 0.526 62.744 62.100 0.197 0.000 1.145 171 T CB 0.203 69.175 68.868 0.175 0.000 0.963 171 T HN 0.700 nan 8.240 nan 0.000 0.545 172 N N 1.159 119.943 118.700 0.141 0.000 2.967 172 N HA -0.237 4.503 4.740 0.001 0.000 0.212 172 N C 1.414 176.922 175.510 -0.004 0.000 0.884 172 N CA 1.849 54.946 53.050 0.078 0.000 1.030 172 N CB -1.986 36.516 38.487 0.025 0.000 1.018 172 N HN 0.839 nan 8.380 nan 0.000 0.596 173 S N 0.298 116.023 115.700 0.041 0.000 2.370 173 S HA -0.033 4.437 4.470 0.001 0.000 0.226 173 S C -0.827 173.831 174.600 0.097 0.000 1.033 173 S CA 1.597 59.833 58.200 0.059 0.000 1.011 173 S CB -1.034 62.261 63.200 0.158 0.000 0.852 173 S HN 0.244 nan 8.310 nan 0.000 0.457 174 P HA 0.076 nan 4.420 nan 0.000 0.225 174 P C 1.191 178.533 177.300 0.069 0.000 1.148 174 P CA 0.899 64.046 63.100 0.079 0.000 0.779 174 P CB -0.307 31.426 31.700 0.055 0.000 0.780 175 I N -6.573 114.014 120.570 0.028 0.000 4.081 175 I HA 0.473 4.643 4.170 0.001 0.000 0.333 175 I C 0.435 176.492 176.117 -0.099 0.000 1.413 175 I CA -0.781 60.519 61.300 0.000 0.000 1.110 175 I CB 0.139 38.156 38.000 0.029 0.000 1.082 175 I HN -0.297 nan 8.210 nan 0.000 0.402 176 A N 1.378 124.087 122.820 -0.186 0.000 2.388 176 A HA 0.300 4.620 4.320 0.001 0.000 0.257 176 A C 0.472 177.858 177.584 -0.332 0.000 1.095 176 A CA -0.223 51.560 52.037 -0.423 0.000 0.791 176 A CB 0.325 18.821 19.000 -0.840 0.000 1.029 176 A HN 0.363 nan 8.150 nan 0.000 0.489 177 D N 0.537 120.746 120.400 -0.319 0.000 2.338 177 D HA 0.111 4.751 4.640 0.001 0.000 0.208 177 D C -0.038 176.078 176.300 -0.307 0.000 0.997 177 D CA 1.078 54.909 54.000 -0.282 0.000 0.880 177 D CB 0.457 41.010 40.800 -0.413 0.000 0.980 177 D HN 0.247 nan 8.370 nan 0.000 0.509 178 V N 1.094 120.777 119.914 -0.385 0.000 2.656 178 V HA 0.382 4.503 4.120 0.001 0.000 0.307 178 V C -0.968 174.887 176.094 -0.398 0.000 1.051 178 V CA -0.745 61.404 62.300 -0.251 0.000 0.893 178 V CB 2.033 33.763 31.823 -0.156 0.000 0.999 178 V HN -0.124 nan 8.190 nan 0.000 0.426 179 F N 2.758 122.618 119.950 -0.151 0.000 2.507 179 F HA 0.618 5.145 4.527 0.001 0.000 0.328 179 F C -0.154 175.559 175.800 -0.145 0.000 1.136 179 F CA -0.922 57.014 58.000 -0.107 0.000 0.930 179 F CB 2.141 41.078 39.000 -0.104 0.000 1.166 179 F HN 0.156 nan 8.300 nan 0.000 0.436 180 V N 4.945 124.876 119.914 0.029 0.000 2.328 180 V HA 0.494 4.614 4.120 0.001 0.000 0.278 180 V C -0.474 175.480 176.094 -0.233 0.000 1.021 180 V CA -0.652 61.580 62.300 -0.112 0.000 0.838 180 V CB 1.424 33.251 31.823 0.007 0.000 0.999 180 V HN 0.514 nan 8.190 nan 0.000 0.447 181 V N 4.314 124.012 119.914 -0.359 0.000 2.604 181 V HA 0.520 4.640 4.120 0.001 0.000 0.305 181 V C -1.020 174.813 176.094 -0.434 0.000 1.043 181 V CA -0.840 61.287 62.300 -0.287 0.000 0.888 181 V CB 2.081 33.839 31.823 -0.109 0.000 0.995 181 V HN 0.887 nan 8.190 nan 0.000 0.429 182 W N 3.040 124.309 121.300 -0.052 0.000 2.429 182 W HA 0.803 5.464 4.660 0.001 0.000 0.314 182 W C 0.075 176.611 176.519 0.029 0.000 1.062 182 W CA -0.286 57.053 57.345 -0.010 0.000 1.211 182 W CB 1.791 31.200 29.460 -0.086 0.000 1.305 182 W HN 0.726 nan 8.180 nan 0.000 0.476 183 A N 2.795 125.793 122.820 0.297 0.000 2.549 183 A HA 0.624 4.945 4.320 0.001 0.000 0.297 183 A C -1.111 176.589 177.584 0.193 0.000 1.061 183 A CA -1.209 50.934 52.037 0.177 0.000 0.690 183 A CB 1.283 20.295 19.000 0.021 0.000 1.287 183 A HN 0.564 nan 8.150 nan 0.000 0.402 184 K N 0.516 120.981 120.400 0.108 0.000 2.379 184 K HA 0.357 4.677 4.320 0.001 0.000 0.284 184 K C -1.059 175.593 176.600 0.087 0.000 1.044 184 K CA -0.099 56.240 56.287 0.087 0.000 0.974 184 K CB 0.751 33.285 32.500 0.057 0.000 0.962 184 K HN 0.471 nan 8.250 nan 0.000 0.474 185 L N 4.063 125.346 121.223 0.100 0.000 2.316 185 L HA 0.200 4.541 4.340 0.001 0.000 0.280 185 L C -0.772 176.144 176.870 0.075 0.000 1.006 185 L CA -0.221 54.683 54.840 0.106 0.000 0.836 185 L CB 1.257 43.407 42.059 0.152 0.000 1.221 185 L HN 0.517 nan 8.230 nan 0.000 0.418 186 D N 4.471 124.909 120.400 0.064 0.000 2.359 186 D HA 0.045 4.685 4.640 0.001 0.000 0.250 186 D C -0.595 175.740 176.300 0.057 0.000 1.264 186 D CA 0.252 54.281 54.000 0.048 0.000 0.911 186 D CB 0.631 41.452 40.800 0.035 0.000 1.056 186 D HN 0.692 nan 8.370 nan 0.000 0.499 187 E N 4.011 124.243 120.200 0.052 0.000 3.303 187 E HA 0.113 4.464 4.350 0.001 0.000 0.215 187 E C -1.125 175.497 176.600 0.037 0.000 1.181 187 E CA -0.634 55.800 56.400 0.056 0.000 0.998 187 E CB 0.115 29.858 29.700 0.072 0.000 1.312 187 E HN 0.474 nan 8.360 nan 0.000 0.412 188 D N 1.754 122.172 120.400 0.030 0.000 4.028 188 D HA -0.162 4.478 4.640 0.001 0.000 0.233 188 D C -0.175 176.135 176.300 0.017 0.000 1.080 188 D CA 1.179 55.192 54.000 0.021 0.000 1.181 188 D CB -0.374 40.440 40.800 0.022 0.000 0.815 188 D HN 0.516 nan 8.370 nan 0.000 0.401 189 G N 4.068 112.876 108.800 0.013 0.000 4.294 189 G HA2 0.267 4.227 3.960 0.001 0.000 0.301 189 G HA3 0.267 4.227 3.960 0.001 0.000 0.301 189 G C 0.206 175.113 174.900 0.012 0.000 1.321 189 G CA -0.556 44.552 45.100 0.013 0.000 1.190 189 G HN 0.433 nan 8.290 nan 0.000 0.600 190 R N 0.693 121.201 120.500 0.014 0.000 2.494 190 R HA 0.331 4.671 4.340 0.001 0.000 0.305 190 R C -1.701 174.608 176.300 0.015 0.000 0.959 190 R CA -0.676 55.430 56.100 0.010 0.000 0.864 190 R CB 1.402 31.706 30.300 0.007 0.000 1.159 190 R HN 0.051 nan 8.270 nan 0.000 0.446 191 D N 3.052 123.459 120.400 0.011 0.000 2.467 191 D HA 0.172 4.812 4.640 0.001 0.000 0.220 191 D C -0.883 175.423 176.300 0.011 0.000 1.103 191 D CA 0.023 54.033 54.000 0.017 0.000 0.886 191 D CB 0.806 41.615 40.800 0.016 0.000 1.025 191 D HN 0.325 nan 8.370 nan 0.000 0.514 192 E N 1.940 122.147 120.200 0.013 0.000 2.244 192 E HA 0.374 4.725 4.350 0.001 0.000 0.266 192 E C -0.016 176.595 176.600 0.018 0.000 0.914 192 E CA -0.963 55.436 56.400 -0.001 0.000 0.794 192 E CB 2.051 31.739 29.700 -0.019 0.000 1.210 192 E HN 0.402 nan 8.360 nan 0.000 0.414 193 I N 2.773 123.348 120.570 0.009 0.000 2.496 193 I HA 0.105 4.276 4.170 0.001 0.000 0.285 193 I C 0.639 176.795 176.117 0.064 0.000 1.080 193 I CA 0.122 61.460 61.300 0.063 0.000 1.404 193 I CB 0.251 38.272 38.000 0.035 0.000 1.403 193 I HN -0.004 nan 8.210 nan 0.000 0.539 194 R N 4.123 124.674 120.500 0.084 0.000 2.854 194 R HA 0.637 4.977 4.340 0.001 0.000 0.271 194 R C -0.316 175.790 176.300 -0.323 0.000 0.994 194 R CA -1.035 54.962 56.100 -0.171 0.000 0.945 194 R CB 1.793 31.821 30.300 -0.454 0.000 1.194 194 R HN 0.746 nan 8.270 nan 0.000 0.476 195 G N 1.160 109.526 108.800 -0.724 0.000 2.356 195 G HA2 0.630 4.591 3.960 0.001 0.000 0.322 195 G HA3 0.630 4.591 3.960 0.001 0.000 0.322 195 G C -1.101 173.109 174.900 -1.151 0.000 1.125 195 G CA -0.273 44.087 45.100 -1.234 0.000 0.885 195 G HN 0.262 nan 8.290 nan 0.000 0.467 196 F N 1.001 120.588 119.950 -0.606 0.000 2.540 196 F HA 0.473 5.000 4.527 0.001 0.000 0.317 196 F C 0.300 175.881 175.800 -0.365 0.000 1.104 196 F CA -0.849 56.900 58.000 -0.417 0.000 0.913 196 F CB 2.285 41.073 39.000 -0.354 0.000 1.170 196 F HN 0.193 nan 8.300 nan 0.000 0.450 197 I N 4.514 124.999 120.570 -0.142 0.000 2.342 197 I HA 0.372 4.542 4.170 0.001 0.000 0.291 197 I C -0.786 175.272 176.117 -0.097 0.000 1.010 197 I CA -0.427 60.758 61.300 -0.193 0.000 1.308 197 I CB 0.960 38.739 38.000 -0.367 0.000 1.400 197 I HN 0.371 nan 8.210 nan 0.000 0.488 198 L N 6.279 127.468 121.223 -0.056 0.000 2.323 198 L HA 0.529 4.870 4.340 0.001 0.000 0.265 198 L C -0.290 176.613 176.870 0.056 0.000 1.012 198 L CA -0.465 54.353 54.840 -0.037 0.000 0.820 198 L CB 1.761 43.742 42.059 -0.131 0.000 1.334 198 L HN 0.500 nan 8.230 nan 0.000 0.427 199 E N 0.310 120.521 120.200 0.019 0.000 2.227 199 E HA 0.332 4.682 4.350 0.001 0.000 0.268 199 E C -1.094 175.522 176.600 0.027 0.000 0.907 199 E CA -1.112 55.312 56.400 0.040 0.000 0.786 199 E CB 1.993 31.673 29.700 -0.033 0.000 1.191 199 E HN 0.325 nan 8.360 nan 0.000 0.411 200 K N 0.573 121.051 120.400 0.130 0.000 2.511 200 K HA -0.001 4.319 4.320 0.001 0.000 0.280 200 K C 0.685 177.283 176.600 -0.003 0.000 1.008 200 K CA 1.404 57.761 56.287 0.116 0.000 1.050 200 K CB -0.051 32.525 32.500 0.126 0.000 0.889 200 K HN 0.743 nan 8.250 nan 0.000 0.484 201 G N 2.705 111.484 108.800 -0.035 0.000 2.175 201 G HA2 -0.301 3.660 3.960 0.001 0.000 0.244 201 G HA3 -0.301 3.660 3.960 0.001 0.000 0.244 201 G C 0.288 175.163 174.900 -0.042 0.000 0.982 201 G CA -0.036 45.046 45.100 -0.029 0.000 0.641 201 G HN 0.862 nan 8.290 nan 0.000 0.527 202 C N 3.065 122.322 119.300 -0.071 0.000 2.590 202 C HA 0.454 4.914 4.460 0.001 0.000 0.411 202 C C 1.306 176.257 174.990 -0.066 0.000 1.420 202 C CA -0.349 58.632 59.018 -0.062 0.000 1.643 202 C CB -0.862 26.816 27.740 -0.103 0.000 2.528 202 C HN 0.485 nan 8.230 nan 0.000 0.606 203 K N 5.297 125.683 120.400 -0.024 0.000 2.436 203 K HA 0.383 4.704 4.320 0.001 0.000 0.282 203 K C 1.183 177.760 176.600 -0.038 0.000 1.044 203 K CA 0.808 57.080 56.287 -0.026 0.000 1.028 203 K CB 0.058 32.553 32.500 -0.008 0.000 0.919 203 K HN 1.238 nan 8.250 nan 0.000 0.474 204 G N 1.894 110.660 108.800 -0.057 0.000 2.159 204 G HA2 -0.228 3.732 3.960 0.001 0.000 0.227 204 G HA3 -0.228 3.732 3.960 0.001 0.000 0.227 204 G C -0.531 174.305 174.900 -0.108 0.000 0.986 204 G CA -0.158 44.902 45.100 -0.067 0.000 0.651 204 G HN 0.496 nan 8.290 nan 0.000 0.523 205 L N 1.617 122.754 121.223 -0.142 0.000 2.325 205 L HA 0.891 5.231 4.340 0.001 0.000 0.281 205 L C -0.263 176.489 176.870 -0.196 0.000 1.004 205 L CA -0.649 54.057 54.840 -0.224 0.000 0.823 205 L CB 2.043 43.889 42.059 -0.353 0.000 1.236 205 L HN 0.072 nan 8.230 nan 0.000 0.415 206 S N 3.502 119.101 115.700 -0.169 0.000 2.536 206 S HA 0.893 5.363 4.470 0.001 0.000 0.298 206 S C -0.396 174.154 174.600 -0.083 0.000 1.083 206 S CA -0.248 57.888 58.200 -0.106 0.000 0.995 206 S CB 1.871 65.029 63.200 -0.069 0.000 1.058 206 S HN 0.846 nan 8.310 nan 0.000 0.488 207 A N 3.318 126.128 122.820 -0.016 0.000 3.317 207 A HA 0.531 4.851 4.320 0.001 0.000 0.307 207 A C -2.854 174.749 177.584 0.032 0.000 1.003 207 A CA -1.364 50.704 52.037 0.051 0.000 0.882 207 A CB 0.001 19.113 19.000 0.187 0.000 1.136 207 A HN 0.486 nan 8.150 nan 0.000 0.488 208 P HA 0.356 nan 4.420 nan 0.000 0.271 208 P C 0.225 177.500 177.300 -0.042 0.000 1.216 208 P CA 0.263 63.355 63.100 -0.013 0.000 0.771 208 P CB 1.224 32.906 31.700 -0.029 0.000 0.864 209 A N 4.018 126.812 122.820 -0.044 0.000 2.386 209 A HA 0.403 4.724 4.320 0.001 0.000 0.248 209 A C 0.227 177.662 177.584 -0.248 0.000 1.082 209 A CA -0.403 51.540 52.037 -0.157 0.000 0.789 209 A CB -0.317 18.564 19.000 -0.199 0.000 1.025 209 A HN 0.520 nan 8.150 nan 0.000 0.490 210 I N 1.625 122.001 120.570 -0.324 0.000 2.339 210 I HA 0.357 4.527 4.170 0.001 0.000 0.290 210 I C -0.219 175.701 176.117 -0.327 0.000 0.994 210 I CA -0.030 61.106 61.300 -0.273 0.000 1.191 210 I CB 1.251 39.074 38.000 -0.296 0.000 1.343 210 I HN 0.752 nan 8.210 nan 0.000 0.458 211 H N 2.920 122.002 119.070 0.020 0.000 2.710 211 H HA 0.630 5.186 4.556 0.001 0.000 0.361 211 H C 0.666 176.020 175.328 0.043 0.000 1.175 211 H CA -0.273 55.795 56.048 0.034 0.000 1.206 211 H CB 1.891 31.666 29.762 0.022 0.000 1.750 211 H HN 0.763 nan 8.280 nan 0.000 0.553 212 G N 1.274 110.175 108.800 0.169 0.000 2.182 212 G HA2 -0.275 3.686 3.960 0.001 0.000 0.248 212 G HA3 -0.275 3.686 3.960 0.001 0.000 0.248 212 G C -0.248 174.704 174.900 0.086 0.000 1.042 212 G CA -0.231 44.925 45.100 0.094 0.000 0.775 212 G HN 0.474 nan 8.290 nan 0.000 0.501 213 K N -0.656 119.792 120.400 0.081 0.000 2.319 213 K HA 0.421 4.741 4.320 0.001 0.000 0.265 213 K C 1.394 177.991 176.600 -0.005 0.000 1.000 213 K CA -0.193 56.145 56.287 0.084 0.000 0.943 213 K CB 1.682 34.240 32.500 0.097 0.000 0.950 213 K HN 0.009 nan 8.250 nan 0.000 0.485 214 V N 1.232 121.150 119.914 0.007 0.000 2.500 214 V HA -0.001 4.119 4.120 0.001 0.000 0.243 214 V C 0.993 177.096 176.094 0.016 0.000 1.039 214 V CA 1.535 63.835 62.300 0.001 0.000 1.053 214 V CB 0.336 32.171 31.823 0.020 0.000 0.695 214 V HN 0.948 nan 8.190 nan 0.000 0.463 215 G N -1.916 106.898 108.800 0.024 0.000 2.644 215 G HA2 0.539 4.499 3.960 0.001 0.000 0.307 215 G HA3 0.539 4.499 3.960 0.001 0.000 0.307 215 G C -0.254 174.680 174.900 0.056 0.000 1.250 215 G CA -0.735 44.422 45.100 0.096 0.000 0.996 215 G HN 0.197 nan 8.290 nan 0.000 0.489 216 L N -0.990 120.317 121.223 0.139 0.000 3.717 216 L HA -0.222 4.118 4.340 0.001 0.000 0.414 216 L C 2.046 178.918 176.870 0.004 0.000 1.228 216 L CA 0.084 54.976 54.840 0.087 0.000 0.918 216 L CB -0.921 41.173 42.059 0.059 0.000 1.865 216 L HN 0.661 nan 8.230 nan 0.000 0.922 217 R N 0.264 120.667 120.500 -0.160 0.000 2.235 217 R HA 0.004 4.345 4.340 0.001 0.000 0.213 217 R C 2.134 178.341 176.300 -0.154 0.000 1.059 217 R CA 1.117 57.016 56.100 -0.336 0.000 0.997 217 R CB -0.042 29.692 30.300 -0.942 0.000 0.884 217 R HN 0.585 nan 8.270 nan 0.000 0.462 218 A N 0.972 123.761 122.820 -0.051 0.000 2.167 218 A HA -0.007 4.314 4.320 0.001 0.000 0.214 218 A C 0.801 178.371 177.584 -0.023 0.000 1.151 218 A CA 0.349 52.341 52.037 -0.076 0.000 0.735 218 A CB 0.095 18.890 19.000 -0.342 0.000 0.802 218 A HN 0.254 nan 8.150 nan 0.000 0.467 219 S N -0.315 115.394 115.700 0.014 0.000 2.449 219 S HA 0.597 5.067 4.470 0.001 0.000 0.310 219 S C -0.470 174.193 174.600 0.106 0.000 1.096 219 S CA -0.719 57.537 58.200 0.093 0.000 1.095 219 S CB 1.110 64.369 63.200 0.098 0.000 1.007 219 S HN 0.352 nan 8.310 nan 0.000 0.474 220 I N 3.677 124.329 120.570 0.137 0.000 2.452 220 I HA 0.379 4.549 4.170 0.001 0.000 0.287 220 I C -0.311 175.870 176.117 0.107 0.000 1.079 220 I CA 0.987 62.351 61.300 0.106 0.000 1.387 220 I CB 0.375 38.445 38.000 0.118 0.000 1.404 220 I HN 0.829 nan 8.210 nan 0.000 0.522 221 T N 5.620 120.220 114.554 0.077 0.000 2.893 221 T HA 0.877 5.228 4.350 0.001 0.000 0.291 221 T C -0.059 174.659 174.700 0.029 0.000 1.028 221 T CA -0.385 61.787 62.100 0.120 0.000 0.995 221 T CB 1.687 70.698 68.868 0.240 0.000 1.051 221 T HN 0.857 nan 8.240 nan 0.000 0.470 222 G N 0.861 109.682 108.800 0.035 0.000 2.731 222 G HA2 0.663 4.624 3.960 0.001 0.000 0.309 222 G HA3 0.663 4.624 3.960 0.001 0.000 0.309 222 G C -1.638 173.226 174.900 -0.059 0.000 1.273 222 G CA -0.816 44.255 45.100 -0.049 0.000 0.798 222 G HN 0.628 nan 8.290 nan 0.000 0.509 223 E N -0.988 119.171 120.200 -0.068 0.000 2.239 223 E HA 0.616 4.966 4.350 0.001 0.000 0.261 223 E C -0.902 175.706 176.600 0.015 0.000 1.016 223 E CA -0.649 55.715 56.400 -0.061 0.000 0.882 223 E CB 2.596 32.234 29.700 -0.103 0.000 1.190 223 E HN 0.252 nan 8.360 nan 0.000 0.415 224 I N 1.698 122.277 120.570 0.014 0.000 2.411 224 I HA 0.223 4.393 4.170 0.001 0.000 0.284 224 I C -1.052 175.036 176.117 -0.047 0.000 1.012 224 I CA -0.814 60.492 61.300 0.008 0.000 1.119 224 I CB 1.526 39.560 38.000 0.058 0.000 1.261 224 I HN 0.133 nan 8.210 nan 0.000 0.448 225 V N 7.671 127.541 119.914 -0.074 0.000 2.347 225 V HA 0.421 4.541 4.120 0.001 0.000 0.280 225 V C -0.066 175.967 176.094 -0.101 0.000 1.021 225 V CA -0.453 61.801 62.300 -0.077 0.000 0.847 225 V CB 1.602 33.386 31.823 -0.065 0.000 0.990 225 V HN 0.476 nan 8.190 nan 0.000 0.444 226 L N 4.500 125.665 121.223 -0.096 0.000 2.287 226 L HA 0.609 4.950 4.340 0.001 0.000 0.287 226 L C -0.586 176.233 176.870 -0.085 0.000 1.022 226 L CA -0.202 54.572 54.840 -0.111 0.000 0.814 226 L CB 1.620 43.602 42.059 -0.127 0.000 1.217 226 L HN 0.544 nan 8.230 nan 0.000 0.420 227 D N 4.150 124.502 120.400 -0.079 0.000 2.375 227 D HA 0.175 4.815 4.640 0.001 0.000 0.259 227 D C -0.154 176.116 176.300 -0.050 0.000 1.235 227 D CA -0.163 53.802 54.000 -0.058 0.000 0.924 227 D CB 0.545 41.316 40.800 -0.049 0.000 1.143 227 D HN 0.498 nan 8.370 nan 0.000 0.529 228 E N 0.496 120.668 120.200 -0.048 0.000 2.637 228 E HA -0.209 4.141 4.350 0.001 0.000 0.265 228 E C -0.476 176.117 176.600 -0.012 0.000 1.073 228 E CA 0.772 57.156 56.400 -0.027 0.000 0.778 228 E CB -1.824 27.866 29.700 -0.016 0.000 1.362 228 E HN 0.517 nan 8.360 nan 0.000 0.413 229 A N 0.926 123.718 122.820 -0.047 0.000 2.484 229 A HA 0.314 4.635 4.320 0.001 0.000 0.268 229 A C 0.021 177.603 177.584 -0.004 0.000 1.114 229 A CA -0.132 51.879 52.037 -0.043 0.000 0.780 229 A CB -0.159 18.771 19.000 -0.117 0.000 1.061 229 A HN 0.270 nan 8.150 nan 0.000 0.505 230 F N 3.943 123.847 119.950 -0.076 0.000 2.495 230 F HA 0.450 4.977 4.527 0.001 0.000 0.365 230 F C -0.186 175.597 175.800 -0.030 0.000 1.090 230 F CA 0.047 58.018 58.000 -0.049 0.000 1.235 230 F CB 0.867 39.844 39.000 -0.038 0.000 1.119 230 F HN 0.271 nan 8.300 nan 0.000 0.562 231 V N 8.540 127.949 119.914 -0.842 0.000 2.409 231 V HA 0.324 4.444 4.120 0.001 0.000 0.290 231 V C -2.074 173.474 176.094 -0.910 0.000 1.017 231 V CA -1.790 60.138 62.300 -0.620 0.000 0.841 231 V CB 1.412 33.098 31.823 -0.227 0.000 1.003 231 V HN 0.664 nan 8.190 nan 0.000 0.426 232 P HA 0.107 nan 4.420 nan 0.000 0.270 232 P C 0.732 178.000 177.300 -0.053 0.000 1.223 232 P CA 0.014 62.901 63.100 -0.354 0.000 0.785 232 P CB 1.157 32.850 31.700 -0.012 0.000 0.923 233 E N 1.431 121.651 120.200 0.034 0.000 2.097 233 E HA -0.219 4.132 4.350 0.001 0.000 0.196 233 E C 1.569 178.240 176.600 0.119 0.000 1.000 233 E CA 1.531 58.010 56.400 0.132 0.000 0.804 233 E CB -0.326 29.416 29.700 0.071 0.000 0.740 233 E HN 0.669 nan 8.360 nan 0.000 0.454 234 E N 0.140 120.385 120.200 0.075 0.000 2.515 234 E HA -0.100 4.251 4.350 0.001 0.000 0.201 234 E C 1.029 177.665 176.600 0.060 0.000 1.071 234 E CA 0.546 56.983 56.400 0.063 0.000 0.880 234 E CB -0.237 29.506 29.700 0.071 0.000 0.828 234 E HN 0.245 nan 8.360 nan 0.000 0.540 235 N N 0.405 119.135 118.700 0.049 0.000 2.250 235 N HA 0.163 4.904 4.740 0.001 0.000 0.190 235 N C 0.329 175.803 175.510 -0.060 0.000 1.116 235 N CA -0.239 52.824 53.050 0.022 0.000 0.881 235 N CB 0.843 39.344 38.487 0.022 0.000 1.006 235 N HN 0.192 nan 8.380 nan 0.000 0.491 236 I N 2.208 122.723 120.570 -0.092 0.000 2.588 236 I HA -0.023 4.148 4.170 0.001 0.000 0.283 236 I C -0.378 175.534 176.117 -0.342 0.000 1.119 236 I CA -0.456 60.612 61.300 -0.386 0.000 1.419 236 I CB 0.693 38.387 38.000 -0.510 0.000 1.394 236 I HN -0.155 nan 8.210 nan 0.000 0.562 237 L N 10.829 131.781 121.223 -0.452 0.000 2.456 237 L HA 0.195 4.535 4.340 0.001 0.000 0.277 237 L C -1.429 175.270 176.870 -0.285 0.000 1.124 237 L CA -1.451 53.216 54.840 -0.287 0.000 0.880 237 L CB 0.037 41.949 42.059 -0.245 0.000 1.192 237 L HN 0.476 nan 8.230 nan 0.000 0.463 238 P HA -0.073 nan 4.420 nan 0.000 0.227 238 P C 0.492 177.595 177.300 -0.328 0.000 1.161 238 P CA 1.127 64.001 63.100 -0.377 0.000 0.788 238 P CB 0.194 31.564 31.700 -0.551 0.000 0.822 239 H N -1.365 117.705 119.070 0.000 0.000 2.524 239 H HA 0.451 5.007 4.556 0.001 0.000 0.299 239 H C -0.216 175.116 175.328 0.006 0.000 1.074 239 H CA -0.461 55.608 56.048 0.036 0.000 1.115 239 H CB 0.475 30.291 29.762 0.090 0.000 1.522 239 H HN -0.105 nan 8.280 nan 0.000 0.543 240 V N 1.588 121.470 119.914 -0.052 0.000 2.891 240 V HA 0.345 4.465 4.120 0.001 0.000 0.304 240 V C -1.665 174.316 176.094 -0.188 0.000 1.171 240 V CA -0.827 61.332 62.300 -0.235 0.000 0.943 240 V CB 2.180 33.516 31.823 -0.812 0.000 1.037 240 V HN 0.451 nan 8.190 nan 0.000 0.427 241 K N 4.430 124.733 120.400 -0.161 0.000 2.512 241 K HA 0.964 5.285 4.320 0.001 0.000 0.263 241 K C 0.109 176.623 176.600 -0.142 0.000 0.966 241 K CA -0.104 56.108 56.287 -0.125 0.000 0.851 241 K CB 2.150 34.597 32.500 -0.088 0.000 1.395 241 K HN 1.830 nan 8.250 nan 0.000 0.440 242 G N 0.666 109.388 108.800 -0.130 0.000 2.584 242 G HA2 -0.258 3.702 3.960 0.001 0.000 0.229 242 G HA3 -0.258 3.702 3.960 0.001 0.000 0.229 242 G C 0.080 174.806 174.900 -0.290 0.000 1.320 242 G CA -0.103 44.894 45.100 -0.172 0.000 0.891 242 G HN 0.422 nan 8.290 nan 0.000 0.573 243 L N 0.847 121.844 121.223 -0.378 0.000 2.131 243 L HA 0.081 4.421 4.340 0.001 0.000 0.210 243 L C 3.012 179.483 176.870 -0.665 0.000 1.092 243 L CA 2.534 56.952 54.840 -0.704 0.000 0.759 243 L CB -0.884 40.671 42.059 -0.840 0.000 0.903 243 L HN 0.681 nan 8.230 nan 0.000 0.435 244 R N -0.479 119.801 120.500 -0.367 0.000 2.117 244 R HA -0.177 4.163 4.340 0.001 0.000 0.243 244 R C 2.158 178.315 176.300 -0.238 0.000 1.143 244 R CA 1.445 57.428 56.100 -0.196 0.000 0.968 244 R CB -0.498 29.722 30.300 -0.133 0.000 0.863 244 R HN 0.441 nan 8.270 nan 0.000 0.444 245 G N 1.028 109.539 108.800 -0.481 0.000 2.524 245 G HA2 -0.200 3.760 3.960 0.001 0.000 0.215 245 G HA3 -0.200 3.760 3.960 0.001 0.000 0.215 245 G C -1.013 173.474 174.900 -0.687 0.000 1.239 245 G CA 0.680 45.380 45.100 -0.667 0.000 0.798 245 G HN 0.341 nan 8.290 nan 0.000 0.557 246 P HA -0.074 nan 4.420 nan 0.000 0.215 246 P C 1.678 179.031 177.300 0.088 0.000 1.153 246 P CA 1.032 63.748 63.100 -0.640 0.000 0.853 246 P CB -0.187 31.189 31.700 -0.541 0.000 0.788 247 F N -0.749 119.120 119.950 -0.134 0.000 2.146 247 F HA -0.169 4.358 4.527 0.001 0.000 0.298 247 F C 2.309 178.142 175.800 0.054 0.000 1.096 247 F CA 0.895 58.887 58.000 -0.013 0.000 1.275 247 F CB -1.099 37.895 39.000 -0.010 0.000 1.008 247 F HN -0.088 nan 8.300 nan 0.000 0.480 248 T N -0.225 114.512 114.554 0.306 0.000 2.665 248 T HA -0.263 4.087 4.350 0.001 0.000 0.268 248 T C 1.937 176.772 174.700 0.225 0.000 1.035 248 T CA 1.591 63.866 62.100 0.291 0.000 1.151 248 T CB -0.827 68.332 68.868 0.484 0.000 0.862 248 T HN 0.374 nan 8.240 nan 0.000 0.438 249 C N 0.954 120.397 119.300 0.238 0.000 2.432 249 C HA 0.065 4.526 4.460 0.001 0.000 0.277 249 C C 2.737 177.748 174.990 0.036 0.000 1.249 249 C CA 0.292 59.388 59.018 0.130 0.000 1.725 249 C CB -1.488 26.333 27.740 0.135 0.000 2.028 249 C HN 0.509 nan 8.230 nan 0.000 0.477 250 L N 1.312 122.577 121.223 0.069 0.000 2.083 250 L HA -0.147 4.193 4.340 0.001 0.000 0.209 250 L C 2.421 179.325 176.870 0.055 0.000 1.083 250 L CA 1.768 56.638 54.840 0.050 0.000 0.752 250 L CB -0.811 41.296 42.059 0.081 0.000 0.899 250 L HN 0.430 nan 8.230 nan 0.000 0.433 251 N N -0.522 118.219 118.700 0.068 0.000 2.142 251 N HA -0.202 4.539 4.740 0.001 0.000 0.186 251 N C 2.051 177.622 175.510 0.101 0.000 1.023 251 N CA 1.484 54.570 53.050 0.060 0.000 0.852 251 N CB -0.025 38.495 38.487 0.054 0.000 0.998 251 N HN 0.130 nan 8.380 nan 0.000 0.424 252 S N -0.820 114.962 115.700 0.137 0.000 2.356 252 S HA -0.027 4.444 4.470 0.001 0.000 0.223 252 S C 1.940 176.728 174.600 0.314 0.000 1.032 252 S CA 1.334 59.680 58.200 0.243 0.000 1.005 252 S CB -0.626 62.714 63.200 0.233 0.000 0.867 252 S HN 0.495 nan 8.310 nan 0.000 0.449 253 A N 1.439 124.367 122.820 0.179 0.000 1.898 253 A HA -0.002 4.318 4.320 0.001 0.000 0.216 253 A C 2.196 179.835 177.584 0.092 0.000 1.181 253 A CA 1.366 53.486 52.037 0.139 0.000 0.620 253 A CB -0.600 18.413 19.000 0.022 0.000 0.819 253 A HN 0.603 nan 8.150 nan 0.000 0.442 254 R N -1.966 118.577 120.500 0.071 0.000 2.105 254 R HA -0.169 4.171 4.340 0.001 0.000 0.239 254 R C 2.114 178.422 176.300 0.013 0.000 1.135 254 R CA 1.736 57.844 56.100 0.014 0.000 0.967 254 R CB -0.604 29.683 30.300 -0.021 0.000 0.861 254 R HN 0.740 nan 8.270 nan 0.000 0.442 255 Y N 0.637 120.921 120.300 -0.028 0.000 2.128 255 Y HA -0.195 4.355 4.550 0.001 0.000 0.284 255 Y C 2.318 178.209 175.900 -0.015 0.000 1.154 255 Y CA 1.808 59.901 58.100 -0.011 0.000 1.149 255 Y CB -0.602 37.864 38.460 0.010 0.000 0.976 255 Y HN 0.063 nan 8.280 nan 0.000 0.505 256 G N 0.362 109.026 108.800 -0.227 0.000 2.422 256 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 256 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 256 G C 1.640 176.394 174.900 -0.244 0.000 1.146 256 G CA 1.242 46.035 45.100 -0.513 0.000 0.769 256 G HN 0.524 nan 8.290 nan 0.000 0.547 257 I N 1.360 121.852 120.570 -0.129 0.000 2.315 257 I HA -0.135 4.035 4.170 0.001 0.000 0.248 257 I C 3.247 179.296 176.117 -0.113 0.000 1.117 257 I CA 0.803 62.050 61.300 -0.089 0.000 1.404 257 I CB -0.161 37.801 38.000 -0.063 0.000 1.071 257 I HN 0.231 nan 8.210 nan 0.000 0.419 258 A N 0.222 122.944 122.820 -0.163 0.000 1.940 258 A HA -0.232 4.088 4.320 0.001 0.000 0.219 258 A C 1.991 179.426 177.584 -0.248 0.000 1.176 258 A CA 1.501 53.407 52.037 -0.217 0.000 0.631 258 A CB -0.992 17.853 19.000 -0.257 0.000 0.814 258 A HN 0.541 nan 8.150 nan 0.000 0.446 259 W N -0.405 120.672 121.300 -0.372 0.000 2.409 259 W HA 0.111 4.772 4.660 0.001 0.000 0.299 259 W C 2.569 178.965 176.519 -0.206 0.000 1.203 259 W CA 1.128 58.288 57.345 -0.309 0.000 1.298 259 W CB -0.580 28.633 29.460 -0.412 0.000 1.127 259 W HN 0.358 nan 8.180 nan 0.000 0.528 260 G N 0.110 108.939 108.800 0.049 0.000 2.421 260 G HA2 -0.245 3.715 3.960 0.001 0.000 0.216 260 G HA3 -0.245 3.715 3.960 0.001 0.000 0.216 260 G C 1.642 176.543 174.900 0.002 0.000 1.171 260 G CA 1.430 46.545 45.100 0.025 0.000 0.775 260 G HN 0.284 nan 8.290 nan 0.000 0.543 261 A N 0.356 123.155 122.820 -0.035 0.000 2.019 261 A HA 0.105 4.426 4.320 0.001 0.000 0.219 261 A C 2.401 179.942 177.584 -0.071 0.000 1.164 261 A CA 1.194 53.201 52.037 -0.050 0.000 0.644 261 A CB -0.316 18.645 19.000 -0.065 0.000 0.805 261 A HN 0.379 nan 8.150 nan 0.000 0.449 262 L N -0.934 120.239 121.223 -0.083 0.000 2.141 262 L HA -0.070 4.271 4.340 0.001 0.000 0.209 262 L C 2.804 179.643 176.870 -0.051 0.000 1.094 262 L CA 0.854 55.639 54.840 -0.091 0.000 0.763 262 L CB -0.737 41.237 42.059 -0.141 0.000 0.908 262 L HN 0.465 nan 8.230 nan 0.000 0.437 263 G N -0.087 108.706 108.800 -0.012 0.000 2.446 263 G HA2 -0.290 3.670 3.960 0.001 0.000 0.217 263 G HA3 -0.290 3.670 3.960 0.001 0.000 0.217 263 G C 1.793 176.642 174.900 -0.085 0.000 1.168 263 G CA 0.877 45.974 45.100 -0.005 0.000 0.771 263 G HN 0.453 nan 8.290 nan 0.000 0.551 264 A N 1.225 123.980 122.820 -0.108 0.000 1.908 264 A HA 0.180 4.500 4.320 0.001 0.000 0.218 264 A C 2.847 180.234 177.584 -0.329 0.000 1.181 264 A CA 2.524 54.388 52.037 -0.287 0.000 0.627 264 A CB -0.907 18.033 19.000 -0.101 0.000 0.818 264 A HN 0.898 nan 8.150 nan 0.000 0.445 265 A N -0.351 122.368 122.820 -0.169 0.000 1.908 265 A HA -0.205 4.115 4.320 0.001 0.000 0.218 265 A C 1.933 179.473 177.584 -0.074 0.000 1.181 265 A CA 1.774 53.739 52.037 -0.120 0.000 0.627 265 A CB -0.572 18.369 19.000 -0.100 0.000 0.818 265 A HN 0.655 nan 8.150 nan 0.000 0.445 266 E N -0.169 119.982 120.200 -0.082 0.000 2.077 266 E HA -0.126 4.224 4.350 0.001 0.000 0.193 266 E C 2.359 178.745 176.600 -0.356 0.000 0.989 266 E CA 1.308 57.631 56.400 -0.127 0.000 0.800 266 E CB -0.163 29.454 29.700 -0.138 0.000 0.746 266 E HN 0.600 nan 8.360 nan 0.000 0.452 267 S N 0.465 116.003 115.700 -0.270 0.000 2.359 267 S HA -0.208 4.262 4.470 0.001 0.000 0.224 267 S C 2.203 176.726 174.600 -0.128 0.000 1.035 267 S CA 1.141 59.221 58.200 -0.200 0.000 1.018 267 S CB -0.410 62.633 63.200 -0.263 0.000 0.876 267 S HN 0.404 nan 8.310 nan 0.000 0.448 268 C N 0.169 119.372 119.300 -0.162 0.000 2.429 268 C HA -0.089 4.372 4.460 0.001 0.000 0.277 268 C C 2.287 177.327 174.990 0.083 0.000 1.262 268 C CA 0.277 59.269 59.018 -0.043 0.000 1.733 268 C CB -1.466 26.239 27.740 -0.058 0.000 2.010 268 C HN 0.861 nan 8.230 nan 0.000 0.483 269 W N 1.378 122.617 121.300 -0.101 0.000 2.355 269 W HA -0.120 4.540 4.660 0.000 0.000 0.309 269 W C 2.411 179.010 176.519 0.133 0.000 1.206 269 W CA 1.768 59.108 57.345 -0.008 0.000 1.284 269 W CB -1.180 28.262 29.460 -0.029 0.000 1.145 269 W HN 0.531 nan 8.180 nan 0.000 0.502 270 H N -0.788 118.242 119.070 -0.067 0.000 2.353 270 H HA -0.136 4.420 4.556 0.001 0.000 0.300 270 H C 2.315 177.600 175.328 -0.072 0.000 1.090 270 H CA 1.679 57.620 56.048 -0.179 0.000 1.327 270 H CB -0.158 29.543 29.762 -0.102 0.000 1.383 270 H HN 0.131 nan 8.280 nan 0.000 0.508 271 I N 0.737 121.373 120.570 0.109 0.000 2.142 271 I HA -0.266 3.905 4.170 0.001 0.000 0.240 271 I C 2.813 178.969 176.117 0.066 0.000 1.078 271 I CA 0.877 62.214 61.300 0.060 0.000 1.343 271 I CB -0.271 37.735 38.000 0.010 0.000 1.046 271 I HN 0.282 nan 8.210 nan 0.000 0.405 272 A N 0.734 123.596 122.820 0.069 0.000 1.892 272 A HA -0.298 4.023 4.320 0.001 0.000 0.218 272 A C 2.435 180.098 177.584 0.133 0.000 1.188 272 A CA 2.191 54.283 52.037 0.093 0.000 0.631 272 A CB -0.772 18.297 19.000 0.115 0.000 0.822 272 A HN 0.391 nan 8.150 nan 0.000 0.447 273 R N -1.039 119.510 120.500 0.080 0.000 2.080 273 R HA -0.236 4.104 4.340 0.001 0.000 0.236 273 R C 2.418 178.688 176.300 -0.049 0.000 1.137 273 R CA 2.053 58.139 56.100 -0.022 0.000 0.943 273 R CB -0.347 29.831 30.300 -0.203 0.000 0.846 273 R HN 0.511 nan 8.270 nan 0.000 0.431 274 Q N -0.270 119.511 119.800 -0.032 0.000 2.096 274 Q HA -0.227 4.113 4.340 0.001 0.000 0.204 274 Q C 1.774 177.783 176.000 0.015 0.000 0.982 274 Q CA 2.035 57.822 55.803 -0.026 0.000 0.850 274 Q CB -0.634 28.107 28.738 0.004 0.000 0.901 274 Q HN 0.548 nan 8.270 nan 0.000 0.422 275 Y N 0.089 120.359 120.300 -0.049 0.000 2.128 275 Y HA -0.243 4.307 4.550 0.000 0.000 0.284 275 Y C 2.011 177.887 175.900 -0.039 0.000 1.154 275 Y CA 2.253 60.328 58.100 -0.043 0.000 1.149 275 Y CB -0.398 38.034 38.460 -0.046 0.000 0.976 275 Y HN 0.110 nan 8.280 nan 0.000 0.505 276 V N -2.315 117.617 119.914 0.031 0.000 2.667 276 V HA -0.165 3.956 4.120 0.001 0.000 0.252 276 V C 2.041 178.065 176.094 -0.117 0.000 1.065 276 V CA 1.405 63.671 62.300 -0.058 0.000 1.083 276 V CB -0.969 30.884 31.823 0.051 0.000 0.692 276 V HN 0.330 nan 8.190 nan 0.000 0.468 277 L N 1.167 122.325 121.223 -0.108 0.000 2.093 277 L HA -0.032 4.308 4.340 0.001 0.000 0.208 277 L C 2.145 178.941 176.870 -0.123 0.000 1.085 277 L CA 1.912 56.683 54.840 -0.115 0.000 0.755 277 L CB -1.125 40.862 42.059 -0.121 0.000 0.904 277 L HN 0.368 nan 8.230 nan 0.000 0.435 278 D N -1.565 118.743 120.400 -0.154 0.000 2.305 278 D HA -0.000 4.640 4.640 0.001 0.000 0.206 278 D C 0.876 177.056 176.300 -0.201 0.000 0.974 278 D CA 0.323 54.231 54.000 -0.153 0.000 0.871 278 D CB 0.105 40.825 40.800 -0.133 0.000 0.947 278 D HN -0.040 nan 8.370 nan 0.000 0.516 279 R N 1.228 121.548 120.500 -0.299 0.000 2.216 279 R HA 0.246 4.587 4.340 0.001 0.000 0.332 279 R C -0.662 175.529 176.300 -0.181 0.000 1.056 279 R CA -0.312 55.595 56.100 -0.322 0.000 0.901 279 R CB 0.347 30.305 30.300 -0.570 0.000 1.039 279 R HN -0.303 nan 8.270 nan 0.000 0.456 280 K N 2.503 122.827 120.400 -0.127 0.000 2.227 280 K HA 0.375 4.695 4.320 0.001 0.000 0.280 280 K C -0.557 176.005 176.600 -0.063 0.000 1.041 280 K CA -0.332 55.907 56.287 -0.081 0.000 0.905 280 K CB 1.410 33.873 32.500 -0.062 0.000 1.068 280 K HN 0.521 nan 8.250 nan 0.000 0.470 286 L N 0.404 121.589 121.223 -0.062 0.000 2.129 286 L HA -0.170 4.170 4.340 0.001 0.000 0.212 286 L C 2.190 179.047 176.870 -0.022 0.000 1.087 286 L CA 2.513 57.332 54.840 -0.036 0.000 0.757 286 L CB -0.704 41.334 42.059 -0.035 0.000 0.896 286 L HN 0.693 nan 8.230 nan 0.000 0.434 287 A N -0.803 121.996 122.820 -0.035 0.000 2.024 287 A HA -0.197 4.123 4.320 0.001 0.000 0.220 287 A C 2.422 179.993 177.584 -0.021 0.000 1.164 287 A CA 1.610 53.629 52.037 -0.030 0.000 0.643 287 A CB -0.799 18.170 19.000 -0.052 0.000 0.806 287 A HN 0.437 nan 8.150 nan 0.000 0.451 288 A N -0.213 122.593 122.820 -0.023 0.000 2.121 288 A HA -0.047 4.274 4.320 0.001 0.000 0.218 288 A C 1.252 178.831 177.584 -0.009 0.000 1.154 288 A CA 0.602 52.629 52.037 -0.017 0.000 0.679 288 A CB -0.502 18.486 19.000 -0.019 0.000 0.795 288 A HN 0.523 nan 8.150 nan 0.000 0.458 289 N N 0.415 119.112 118.700 -0.005 0.000 2.513 289 N HA 0.070 4.811 4.740 0.001 0.000 0.268 289 N C 0.589 176.102 175.510 0.005 0.000 1.180 289 N CA 0.232 53.283 53.050 0.001 0.000 0.948 289 N CB 0.818 39.309 38.487 0.007 0.000 1.083 289 N HN 0.455 nan 8.380 nan 0.000 0.455 290 Q N 2.096 121.898 119.800 0.003 0.000 2.331 290 Q HA -0.006 4.334 4.340 0.001 0.000 0.203 290 Q C 1.337 177.341 176.000 0.007 0.000 0.944 290 Q CA 0.349 56.155 55.803 0.004 0.000 0.892 290 Q CB 0.218 28.956 28.738 0.001 0.000 0.983 290 Q HN 0.509 nan 8.270 nan 0.000 0.482 291 L N 0.595 121.822 121.223 0.008 0.000 2.072 291 L HA -0.112 4.229 4.340 0.001 0.000 0.205 291 L C 1.813 178.692 176.870 0.016 0.000 1.079 291 L CA 1.370 56.215 54.840 0.009 0.000 0.752 291 L CB -0.274 41.790 42.059 0.008 0.000 0.906 291 L HN 0.174 nan 8.230 nan 0.000 0.436 292 I N -0.406 120.178 120.570 0.022 0.000 2.208 292 I HA -0.306 3.864 4.170 0.001 0.000 0.245 292 I C 2.535 178.674 176.117 0.037 0.000 1.097 292 I CA 1.328 62.648 61.300 0.034 0.000 1.363 292 I CB -1.286 36.737 38.000 0.038 0.000 1.051 292 I HN 0.462 nan 8.210 nan 0.000 0.413 293 Q N 0.288 120.105 119.800 0.027 0.000 2.084 293 Q HA -0.263 4.077 4.340 0.001 0.000 0.202 293 Q C 2.234 178.253 176.000 0.031 0.000 0.978 293 Q CA 1.929 57.751 55.803 0.031 0.000 0.844 293 Q CB -0.145 28.604 28.738 0.019 0.000 0.898 293 Q HN 0.466 nan 8.270 nan 0.000 0.426 294 K N 1.202 121.612 120.400 0.018 0.000 2.097 294 K HA -0.172 4.148 4.320 0.001 0.000 0.206 294 K C 1.756 178.358 176.600 0.004 0.000 1.049 294 K CA 1.441 57.733 56.287 0.008 0.000 0.933 294 K CB 0.097 32.597 32.500 0.001 0.000 0.717 294 K HN -0.036 nan 8.250 nan 0.000 0.442 295 K N 0.539 120.946 120.400 0.012 0.000 2.057 295 K HA -0.083 4.237 4.320 0.001 0.000 0.207 295 K C 2.085 178.694 176.600 0.015 0.000 1.049 295 K CA 1.727 58.019 56.287 0.008 0.000 0.931 295 K CB -0.178 32.334 32.500 0.020 0.000 0.714 295 K HN 0.132 nan 8.250 nan 0.000 0.440 296 L N 0.388 121.650 121.223 0.065 0.000 2.083 296 L HA -0.166 4.175 4.340 0.001 0.000 0.209 296 L C 2.558 179.467 176.870 0.064 0.000 1.083 296 L CA 1.069 55.989 54.840 0.134 0.000 0.752 296 L CB -0.592 41.587 42.059 0.200 0.000 0.899 296 L HN 0.212 nan 8.230 nan 0.000 0.433 297 A N -0.039 122.805 122.820 0.041 0.000 1.902 297 A HA -0.222 4.098 4.320 0.001 0.000 0.217 297 A C 1.947 179.491 177.584 -0.066 0.000 1.181 297 A CA 1.958 54.004 52.037 0.014 0.000 0.623 297 A CB -0.478 18.533 19.000 0.018 0.000 0.818 297 A HN 0.342 nan 8.150 nan 0.000 0.443 298 D N -0.365 119.988 120.400 -0.078 0.000 2.117 298 D HA -0.127 4.513 4.640 0.001 0.000 0.198 298 D C 2.072 178.249 176.300 -0.205 0.000 0.982 298 D CA 1.395 55.328 54.000 -0.113 0.000 0.828 298 D CB -0.372 40.380 40.800 -0.081 0.000 0.967 298 D HN 0.495 nan 8.370 nan 0.000 0.464 299 M N 0.302 119.737 119.600 -0.275 0.000 2.065 299 M HA -0.208 4.272 4.480 0.001 0.000 0.259 299 M C 2.390 178.186 176.300 -0.839 0.000 1.069 299 M CA 1.423 56.424 55.300 -0.497 0.000 1.110 299 M CB -0.385 31.885 32.600 -0.549 0.000 1.328 299 M HN -0.026 nan 8.290 nan 0.000 0.405 300 Q N -0.142 119.068 119.800 -0.984 0.000 2.112 300 Q HA -0.188 4.152 4.340 0.001 0.000 0.206 300 Q C 1.724 177.457 176.000 -0.445 0.000 0.987 300 Q CA 2.332 57.568 55.803 -0.944 0.000 0.858 300 Q CB -0.037 28.558 28.738 -0.239 0.000 0.905 300 Q HN 0.494 nan 8.270 nan 0.000 0.420 301 T N 1.091 115.482 114.554 -0.271 0.000 2.668 301 T HA -0.126 4.224 4.350 0.001 0.000 0.262 301 T C 1.542 176.136 174.700 -0.177 0.000 1.045 301 T CA 1.336 63.341 62.100 -0.158 0.000 1.152 301 T CB -0.220 68.585 68.868 -0.105 0.000 0.864 301 T HN 0.325 nan 8.240 nan 0.000 0.419 302 E N 0.889 120.967 120.200 -0.203 0.000 2.110 302 E HA -0.033 4.317 4.350 0.001 0.000 0.193 302 E C 2.249 178.731 176.600 -0.197 0.000 0.988 302 E CA 0.766 57.059 56.400 -0.179 0.000 0.804 302 E CB -0.444 29.157 29.700 -0.165 0.000 0.745 302 E HN 0.521 nan 8.360 nan 0.000 0.458 303 I N 0.890 121.305 120.570 -0.258 0.000 2.202 303 I HA -0.226 3.944 4.170 0.001 0.000 0.242 303 I C 2.308 178.320 176.117 -0.175 0.000 1.091 303 I CA 1.260 62.425 61.300 -0.226 0.000 1.368 303 I CB -0.342 37.496 38.000 -0.270 0.000 1.058 303 I HN 0.045 nan 8.210 nan 0.000 0.410 304 T N 1.172 115.625 114.554 -0.167 0.000 2.746 304 T HA -0.116 4.234 4.350 0.001 0.000 0.267 304 T C 1.918 176.555 174.700 -0.104 0.000 1.039 304 T CA 1.283 63.324 62.100 -0.099 0.000 1.142 304 T CB -0.245 68.591 68.868 -0.054 0.000 0.866 304 T HN 0.231 nan 8.240 nan 0.000 0.444 305 L N 0.439 121.593 121.223 -0.115 0.000 2.109 305 L HA 0.100 4.440 4.340 0.001 0.000 0.207 305 L C 3.002 179.785 176.870 -0.144 0.000 1.086 305 L CA 1.042 55.816 54.840 -0.110 0.000 0.760 305 L CB -0.831 41.170 42.059 -0.097 0.000 0.910 305 L HN 0.339 nan 8.230 nan 0.000 0.437 306 G N 0.207 108.905 108.800 -0.171 0.000 2.418 306 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 306 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 306 G C 1.630 176.352 174.900 -0.298 0.000 1.158 306 G CA 0.475 45.444 45.100 -0.218 0.000 0.771 306 G HN 0.203 nan 8.290 nan 0.000 0.545 307 L N -0.095 120.959 121.223 -0.281 0.000 2.083 307 L HA -0.112 4.228 4.340 0.001 0.000 0.209 307 L C 3.178 179.863 176.870 -0.308 0.000 1.083 307 L CA 0.913 55.541 54.840 -0.353 0.000 0.752 307 L CB -0.285 41.650 42.059 -0.207 0.000 0.899 307 L HN 0.163 nan 8.230 nan 0.000 0.433 308 Q N -0.255 119.432 119.800 -0.188 0.000 2.119 308 Q HA -0.105 4.236 4.340 0.001 0.000 0.201 308 Q C 2.257 178.176 176.000 -0.136 0.000 0.972 308 Q CA 1.560 57.287 55.803 -0.125 0.000 0.847 308 Q CB -0.558 28.132 28.738 -0.080 0.000 0.903 308 Q HN 0.562 nan 8.270 nan 0.000 0.433 309 G N 0.860 109.556 108.800 -0.174 0.000 2.433 309 G HA2 -0.191 3.769 3.960 0.001 0.000 0.216 309 G HA3 -0.191 3.769 3.960 0.001 0.000 0.216 309 G C 1.582 176.366 174.900 -0.193 0.000 1.186 309 G CA 1.626 46.630 45.100 -0.160 0.000 0.779 309 G HN 0.369 nan 8.290 nan 0.000 0.543 310 V N -0.673 119.011 119.914 -0.384 0.000 2.427 310 V HA -0.047 4.074 4.120 0.001 0.000 0.248 310 V C 2.601 178.564 176.094 -0.219 0.000 1.051 310 V CA 1.647 63.622 62.300 -0.541 0.000 1.048 310 V CB -0.697 30.304 31.823 -1.370 0.000 0.666 310 V HN 0.204 nan 8.190 nan 0.000 0.456 311 L N 0.935 122.030 121.223 -0.213 0.000 1.994 311 L HA -0.075 4.266 4.340 0.001 0.000 0.208 311 L C 2.707 179.682 176.870 0.174 0.000 1.071 311 L CA 2.599 57.551 54.840 0.187 0.000 0.745 311 L CB -0.952 41.172 42.059 0.109 0.000 0.892 311 L HN 0.423 nan 8.230 nan 0.000 0.431 312 R N -0.409 120.128 120.500 0.060 0.000 2.083 312 R HA -0.195 4.145 4.340 0.001 0.000 0.237 312 R C 2.176 178.523 176.300 0.078 0.000 1.137 312 R CA 2.126 58.259 56.100 0.055 0.000 0.951 312 R CB -1.251 29.054 30.300 0.009 0.000 0.851 312 R HN 0.436 nan 8.270 nan 0.000 0.434 313 L N 0.258 121.530 121.223 0.083 0.000 2.013 313 L HA -0.019 4.321 4.340 0.001 0.000 0.212 313 L C 2.119 179.086 176.870 0.161 0.000 1.073 313 L CA 2.541 57.446 54.840 0.109 0.000 0.753 313 L CB -1.346 40.794 42.059 0.136 0.000 0.890 313 L HN 0.348 nan 8.230 nan 0.000 0.432 314 G N -0.793 108.229 108.800 0.369 0.000 2.446 314 G HA2 -0.257 3.703 3.960 0.001 0.000 0.217 314 G HA3 -0.257 3.703 3.960 0.001 0.000 0.217 314 G C 1.672 176.693 174.900 0.202 0.000 1.168 314 G CA 0.631 45.964 45.100 0.388 0.000 0.771 314 G HN 0.333 nan 8.290 nan 0.000 0.551 315 R N -0.252 120.355 120.500 0.177 0.000 2.092 315 R HA 0.092 4.432 4.340 0.001 0.000 0.231 315 R C 2.648 178.992 176.300 0.073 0.000 1.119 315 R CA 0.989 57.159 56.100 0.117 0.000 0.970 315 R CB -0.543 29.817 30.300 0.099 0.000 0.864 315 R HN 0.430 nan 8.270 nan 0.000 0.440 316 M N 0.337 119.966 119.600 0.049 0.000 2.156 316 M HA -0.098 4.382 4.480 0.001 0.000 0.264 316 M C 2.125 178.417 176.300 -0.013 0.000 1.067 316 M CA 1.518 56.827 55.300 0.015 0.000 1.131 316 M CB -0.183 32.418 32.600 0.002 0.000 1.368 316 M HN -0.007 nan 8.290 nan 0.000 0.416 317 K N 0.382 120.741 120.400 -0.069 0.000 2.032 317 K HA -0.177 4.144 4.320 0.001 0.000 0.209 317 K C 1.504 178.131 176.600 0.045 0.000 1.048 317 K CA 1.438 57.621 56.287 -0.173 0.000 0.927 317 K CB -0.293 31.846 32.500 -0.602 0.000 0.712 317 K HN 0.297 nan 8.250 nan 0.000 0.441 318 D N 0.848 121.335 120.400 0.144 0.000 2.144 318 D HA -0.125 4.516 4.640 0.001 0.000 0.199 318 D C 1.295 177.651 176.300 0.093 0.000 0.984 318 D CA 1.199 55.300 54.000 0.168 0.000 0.834 318 D CB 0.002 40.883 40.800 0.135 0.000 0.955 318 D HN 0.312 nan 8.370 nan 0.000 0.465 319 E N -0.576 119.661 120.200 0.063 0.000 2.489 319 E HA 0.211 4.562 4.350 0.001 0.000 0.193 319 E C 1.075 177.697 176.600 0.035 0.000 1.057 319 E CA 0.269 56.694 56.400 0.043 0.000 0.866 319 E CB 0.358 30.079 29.700 0.034 0.000 0.916 319 E HN 0.239 nan 8.360 nan 0.000 0.500 320 G N 1.560 110.381 108.800 0.036 0.000 2.160 320 G HA2 -0.327 3.633 3.960 0.001 0.000 0.251 320 G HA3 -0.327 3.633 3.960 0.001 0.000 0.251 320 G C 0.931 175.837 174.900 0.011 0.000 1.008 320 G CA 0.849 45.964 45.100 0.026 0.000 0.724 320 G HN 0.405 nan 8.290 nan 0.000 0.514 321 T N -3.274 111.282 114.554 0.003 0.000 3.054 321 T HA 0.659 5.009 4.350 0.001 0.000 0.255 321 T C 0.980 175.674 174.700 -0.010 0.000 1.035 321 T CA 1.096 63.197 62.100 0.001 0.000 0.941 321 T CB 0.965 69.836 68.868 0.006 0.000 1.026 321 T HN 1.571 nan 8.240 nan 0.000 0.533 322 A N 1.612 124.415 122.820 -0.028 0.000 2.279 322 A HA 0.817 5.137 4.320 0.001 0.000 0.306 322 A C 0.724 178.285 177.584 -0.038 0.000 1.300 322 A CA -0.660 51.351 52.037 -0.044 0.000 0.925 322 A CB -0.259 18.689 19.000 -0.087 0.000 1.152 322 A HN 0.690 nan 8.150 nan 0.000 0.544 323 A N 2.356 125.164 122.820 -0.021 0.000 2.386 323 A HA 0.420 4.740 4.320 0.001 0.000 0.248 323 A C 1.308 178.882 177.584 -0.017 0.000 1.082 323 A CA -0.106 51.924 52.037 -0.010 0.000 0.789 323 A CB 0.158 19.157 19.000 -0.001 0.000 1.025 323 A HN 1.113 nan 8.150 nan 0.000 0.490 324 V N 1.324 121.236 119.914 -0.003 0.000 2.490 324 V HA -0.185 3.936 4.120 0.001 0.000 0.250 324 V C 2.245 178.334 176.094 -0.008 0.000 1.061 324 V CA 2.447 64.745 62.300 -0.004 0.000 1.064 324 V CB -1.115 30.722 31.823 0.023 0.000 0.670 324 V HN 0.975 nan 8.190 nan 0.000 0.461 325 E N 0.287 120.487 120.200 -0.001 0.000 2.209 325 E HA -0.174 4.176 4.350 0.001 0.000 0.196 325 E C 1.969 178.560 176.600 -0.015 0.000 0.993 325 E CA 1.197 57.598 56.400 0.000 0.000 0.819 325 E CB -0.350 29.354 29.700 0.006 0.000 0.745 325 E HN 0.607 nan 8.360 nan 0.000 0.477 326 I N 0.494 121.051 120.570 -0.021 0.000 2.286 326 I HA -0.265 3.905 4.170 0.001 0.000 0.248 326 I C 1.948 178.039 176.117 -0.043 0.000 1.115 326 I CA 1.282 62.565 61.300 -0.030 0.000 1.392 326 I CB -0.615 37.370 38.000 -0.025 0.000 1.065 326 I HN 0.101 nan 8.210 nan 0.000 0.418 327 T N 0.062 114.591 114.554 -0.040 0.000 2.759 327 T HA -0.168 4.182 4.350 0.001 0.000 0.269 327 T C 2.121 176.727 174.700 -0.155 0.000 1.042 327 T CA 1.731 63.798 62.100 -0.054 0.000 1.140 327 T CB -0.233 68.617 68.868 -0.030 0.000 0.864 327 T HN 0.282 nan 8.240 nan 0.000 0.455 328 S N 0.842 116.459 115.700 -0.138 0.000 2.382 328 S HA 0.024 4.494 4.470 0.001 0.000 0.228 328 S C 2.003 176.500 174.600 -0.171 0.000 1.027 328 S CA 0.724 58.802 58.200 -0.204 0.000 0.991 328 S CB -0.383 62.852 63.200 0.058 0.000 0.823 328 S HN 0.456 nan 8.310 nan 0.000 0.469 329 I N 1.147 121.656 120.570 -0.102 0.000 2.142 329 I HA -0.206 3.965 4.170 0.001 0.000 0.240 329 I C 2.308 178.351 176.117 -0.123 0.000 1.078 329 I CA 1.057 62.304 61.300 -0.088 0.000 1.343 329 I CB -0.324 37.637 38.000 -0.065 0.000 1.046 329 I HN 0.297 nan 8.210 nan 0.000 0.405 330 M N 0.158 119.675 119.600 -0.138 0.000 2.156 330 M HA -0.111 4.370 4.480 0.001 0.000 0.264 330 M C 2.209 178.393 176.300 -0.194 0.000 1.067 330 M CA 1.447 56.649 55.300 -0.164 0.000 1.131 330 M CB -1.226 31.279 32.600 -0.157 0.000 1.368 330 M HN 0.139 nan 8.290 nan 0.000 0.416 331 K N 0.853 121.116 120.400 -0.228 0.000 2.002 331 K HA -0.167 4.153 4.320 0.001 0.000 0.209 331 K C 2.201 178.677 176.600 -0.206 0.000 1.048 331 K CA 1.458 57.597 56.287 -0.247 0.000 0.930 331 K CB -0.324 31.958 32.500 -0.362 0.000 0.714 331 K HN 0.238 nan 8.250 nan 0.000 0.438 332 R N 0.687 121.052 120.500 -0.225 0.000 2.096 332 R HA -0.210 4.130 4.340 0.001 0.000 0.240 332 R C 2.161 178.409 176.300 -0.087 0.000 1.139 332 R CA 2.269 58.310 56.100 -0.097 0.000 0.952 332 R CB -0.379 29.897 30.300 -0.040 0.000 0.854 332 R HN 0.243 nan 8.270 nan 0.000 0.436 333 N N -0.247 118.388 118.700 -0.107 0.000 2.058 333 N HA -0.121 4.619 4.740 0.001 0.000 0.191 333 N C 1.629 177.068 175.510 -0.118 0.000 1.037 333 N CA 2.183 55.170 53.050 -0.105 0.000 0.848 333 N CB -0.156 38.263 38.487 -0.115 0.000 1.021 333 N HN 0.094 nan 8.380 nan 0.000 0.422 334 S N -0.655 114.958 115.700 -0.144 0.000 2.353 334 S HA -0.167 4.304 4.470 0.001 0.000 0.222 334 S C 2.271 176.805 174.600 -0.110 0.000 1.035 334 S CA 1.327 59.439 58.200 -0.148 0.000 1.025 334 S CB -0.686 62.405 63.200 -0.182 0.000 0.902 334 S HN 0.554 nan 8.310 nan 0.000 0.440 335 C N 1.224 120.468 119.300 -0.093 0.000 2.429 335 C HA 0.015 4.475 4.460 0.001 0.000 0.277 335 C C 2.935 177.894 174.990 -0.053 0.000 1.262 335 C CA 0.469 59.450 59.018 -0.062 0.000 1.733 335 C CB -1.789 25.926 27.740 -0.042 0.000 2.010 335 C HN 0.739 nan 8.230 nan 0.000 0.483 336 G N 0.524 109.291 108.800 -0.055 0.000 2.404 336 G HA2 -0.167 3.794 3.960 0.001 0.000 0.215 336 G HA3 -0.167 3.794 3.960 0.001 0.000 0.215 336 G C 1.689 176.554 174.900 -0.059 0.000 1.174 336 G CA 0.690 45.760 45.100 -0.049 0.000 0.780 336 G HN 0.395 nan 8.290 nan 0.000 0.537 337 K N 1.065 121.419 120.400 -0.076 0.000 2.097 337 K HA 0.107 4.428 4.320 0.001 0.000 0.205 337 K C 2.838 179.386 176.600 -0.087 0.000 1.050 337 K CA 1.115 57.350 56.287 -0.087 0.000 0.938 337 K CB -0.873 31.562 32.500 -0.108 0.000 0.718 337 K HN 0.258 nan 8.250 nan 0.000 0.442 338 A N 1.408 124.177 122.820 -0.085 0.000 1.902 338 A HA -0.159 4.161 4.320 0.001 0.000 0.217 338 A C 2.223 179.773 177.584 -0.058 0.000 1.181 338 A CA 1.390 53.381 52.037 -0.077 0.000 0.623 338 A CB -0.595 18.361 19.000 -0.073 0.000 0.818 338 A HN 0.226 nan 8.150 nan 0.000 0.443 339 L N 0.143 121.338 121.223 -0.046 0.000 2.017 339 L HA -0.160 4.181 4.340 0.001 0.000 0.208 339 L C 1.693 178.541 176.870 -0.036 0.000 1.073 339 L CA 2.543 57.364 54.840 -0.032 0.000 0.745 339 L CB -0.765 41.279 42.059 -0.025 0.000 0.894 339 L HN 0.338 nan 8.230 nan 0.000 0.432 340 D N -0.112 120.261 120.400 -0.044 0.000 2.116 340 D HA -0.241 4.400 4.640 0.001 0.000 0.193 340 D C 2.301 178.571 176.300 -0.049 0.000 0.998 340 D CA 2.125 56.097 54.000 -0.046 0.000 0.836 340 D CB -0.228 40.539 40.800 -0.055 0.000 0.951 340 D HN 0.455 nan 8.370 nan 0.000 0.449 341 I N 0.955 121.489 120.570 -0.060 0.000 2.226 341 I HA -0.248 3.923 4.170 0.001 0.000 0.245 341 I C 2.461 178.555 176.117 -0.037 0.000 1.100 341 I CA 1.040 62.305 61.300 -0.058 0.000 1.374 341 I CB -0.166 37.786 38.000 -0.080 0.000 1.057 341 I HN -0.070 nan 8.210 nan 0.000 0.413 342 A N 0.771 123.568 122.820 -0.037 0.000 1.902 342 A HA -0.187 4.133 4.320 0.001 0.000 0.217 342 A C 2.394 179.961 177.584 -0.029 0.000 1.181 342 A CA 1.406 53.427 52.037 -0.027 0.000 0.623 342 A CB -0.512 18.480 19.000 -0.013 0.000 0.818 342 A HN 0.312 nan 8.150 nan 0.000 0.443 343 R N -1.361 119.122 120.500 -0.028 0.000 2.092 343 R HA -0.052 4.288 4.340 0.001 0.000 0.231 343 R C 2.010 178.291 176.300 -0.032 0.000 1.119 343 R CA 1.242 57.324 56.100 -0.029 0.000 0.970 343 R CB -0.452 29.833 30.300 -0.025 0.000 0.864 343 R HN 0.436 nan 8.270 nan 0.000 0.440 344 L N 0.550 121.755 121.223 -0.030 0.000 2.056 344 L HA -0.044 4.296 4.340 0.001 0.000 0.207 344 L C 2.291 179.145 176.870 -0.026 0.000 1.078 344 L CA 1.774 56.599 54.840 -0.026 0.000 0.749 344 L CB -0.640 41.404 42.059 -0.026 0.000 0.901 344 L HN 0.115 nan 8.230 nan 0.000 0.433 345 A N -0.774 122.031 122.820 -0.025 0.000 1.898 345 A HA -0.234 4.087 4.320 0.001 0.000 0.216 345 A C 2.401 179.930 177.584 -0.091 0.000 1.181 345 A CA 1.629 53.644 52.037 -0.036 0.000 0.620 345 A CB -0.539 18.452 19.000 -0.015 0.000 0.819 345 A HN 0.387 nan 8.150 nan 0.000 0.442 346 R N 0.755 121.207 120.500 -0.081 0.000 2.083 346 R HA -0.153 4.187 4.340 0.001 0.000 0.237 346 R C 1.091 177.330 176.300 -0.103 0.000 1.137 346 R CA 2.225 58.266 56.100 -0.098 0.000 0.951 346 R CB -0.795 29.465 30.300 -0.065 0.000 0.851 346 R HN 0.471 nan 8.270 nan 0.000 0.434 347 D N -0.512 119.846 120.400 -0.070 0.000 2.310 347 D HA -0.094 4.546 4.640 0.001 0.000 0.212 347 D C 1.478 177.741 176.300 -0.061 0.000 0.965 347 D CA 1.026 54.993 54.000 -0.055 0.000 0.879 347 D CB -0.028 40.752 40.800 -0.033 0.000 0.921 347 D HN 0.369 nan 8.370 nan 0.000 0.510 348 M N -0.271 119.278 119.600 -0.085 0.000 2.541 348 M HA 0.094 4.575 4.480 0.001 0.000 0.252 348 M C 0.468 176.629 176.300 -0.232 0.000 1.125 348 M CA 0.276 55.527 55.300 -0.082 0.000 1.091 348 M CB 0.649 33.225 32.600 -0.040 0.000 1.420 348 M HN -0.150 nan 8.290 nan 0.000 0.486 349 L N -0.028 120.972 121.223 -0.372 0.000 2.357 349 L HA 0.551 4.891 4.340 0.001 0.000 0.273 349 L C 0.525 177.203 176.870 -0.320 0.000 1.080 349 L CA -0.676 53.752 54.840 -0.687 0.000 0.803 349 L CB 1.083 42.792 42.059 -0.584 0.000 1.174 349 L HN 0.086 nan 8.230 nan 0.000 0.443 359 G N 1.589 110.398 108.800 0.015 0.000 2.446 359 G HA2 -0.106 3.855 3.960 0.001 0.000 0.217 359 G HA3 -0.106 3.855 3.960 0.001 0.000 0.217 359 G C 1.446 176.320 174.900 -0.043 0.000 1.168 359 G CA 2.132 47.227 45.100 -0.009 0.000 0.771 359 G HN 0.324 nan 8.290 nan 0.000 0.551 360 V N 1.571 121.450 119.914 -0.059 0.000 2.287 360 V HA -0.171 3.949 4.120 0.001 0.000 0.248 360 V C 3.346 179.411 176.094 -0.048 0.000 1.053 360 V CA 2.157 64.445 62.300 -0.021 0.000 1.027 360 V CB -0.872 30.890 31.823 -0.100 0.000 0.646 360 V HN 0.490 nan 8.190 nan 0.000 0.447 361 A N -0.625 122.136 122.820 -0.098 0.000 1.972 361 A HA -0.238 4.082 4.320 0.001 0.000 0.219 361 A C 2.388 179.884 177.584 -0.147 0.000 1.169 361 A CA 1.935 53.920 52.037 -0.087 0.000 0.635 361 A CB -0.520 18.443 19.000 -0.061 0.000 0.810 361 A HN 0.486 nan 8.150 nan 0.000 0.446 362 R N -1.262 119.057 120.500 -0.302 0.000 2.070 362 R HA -0.162 4.179 4.340 0.001 0.000 0.232 362 R C 2.098 178.148 176.300 -0.417 0.000 1.138 362 R CA 1.920 57.633 56.100 -0.646 0.000 0.936 362 R CB -0.467 29.289 30.300 -0.907 0.000 0.839 362 R HN 0.732 nan 8.270 nan 0.000 0.429 363 H N -0.131 118.808 119.070 -0.217 0.000 2.353 363 H HA -0.197 4.360 4.556 0.001 0.000 0.298 363 H C 1.869 177.148 175.328 -0.083 0.000 1.103 363 H CA 1.717 57.691 56.048 -0.124 0.000 1.293 363 H CB -0.048 29.660 29.762 -0.090 0.000 1.372 363 H HN 0.130 nan 8.280 nan 0.000 0.501 364 L N 0.886 122.130 121.223 0.035 0.000 1.994 364 L HA -0.151 4.189 4.340 0.001 0.000 0.208 364 L C 2.441 179.323 176.870 0.020 0.000 1.071 364 L CA 1.654 56.503 54.840 0.016 0.000 0.745 364 L CB -0.806 41.250 42.059 -0.005 0.000 0.892 364 L HN 0.317 nan 8.230 nan 0.000 0.431 365 V N -2.637 117.292 119.914 0.026 0.000 2.515 365 V HA -0.214 3.906 4.120 0.001 0.000 0.250 365 V C 2.099 178.247 176.094 0.089 0.000 1.058 365 V CA 2.042 64.387 62.300 0.075 0.000 1.064 365 V CB -1.451 30.463 31.823 0.152 0.000 0.675 365 V HN 0.583 nan 8.190 nan 0.000 0.461 366 N N 0.981 119.729 118.700 0.079 0.000 2.043 366 N HA -0.090 4.651 4.740 0.001 0.000 0.193 366 N C 1.848 177.388 175.510 0.050 0.000 1.037 366 N CA 1.820 54.916 53.050 0.077 0.000 0.851 366 N CB -0.374 38.139 38.487 0.045 0.000 1.027 366 N HN 0.428 nan 8.380 nan 0.000 0.422 367 L N 1.101 122.349 121.223 0.042 0.000 2.201 367 L HA -0.127 4.214 4.340 0.001 0.000 0.212 367 L C 2.052 178.932 176.870 0.017 0.000 1.105 367 L CA 1.045 55.900 54.840 0.025 0.000 0.775 367 L CB -0.266 41.803 42.059 0.017 0.000 0.913 367 L HN 0.229 nan 8.230 nan 0.000 0.440 368 E N -0.470 119.741 120.200 0.018 0.000 2.072 368 E HA -0.175 4.175 4.350 0.001 0.000 0.191 368 E C 2.274 178.876 176.600 0.004 0.000 0.985 368 E CA 1.197 57.602 56.400 0.009 0.000 0.801 368 E CB -0.004 29.702 29.700 0.009 0.000 0.750 368 E HN 0.263 nan 8.360 nan 0.000 0.452 369 V N 0.714 120.633 119.914 0.009 0.000 2.307 369 V HA -0.216 3.904 4.120 0.001 0.000 0.245 369 V C 2.303 178.423 176.094 0.043 0.000 1.045 369 V CA 1.218 63.517 62.300 -0.000 0.000 1.024 369 V CB -0.319 31.501 31.823 -0.005 0.000 0.651 369 V HN 0.132 nan 8.190 nan 0.000 0.449 370 V N 0.486 120.425 119.914 0.042 0.000 2.295 370 V HA -0.284 3.836 4.120 0.001 0.000 0.246 370 V C 2.306 178.437 176.094 0.062 0.000 1.049 370 V CA 2.497 64.825 62.300 0.047 0.000 1.024 370 V CB -0.975 30.855 31.823 0.013 0.000 0.648 370 V HN 0.572 nan 8.190 nan 0.000 0.447 371 N N 0.235 118.954 118.700 0.032 0.000 2.289 371 N HA -0.142 4.598 4.740 0.001 0.000 0.184 371 N C 1.672 177.196 175.510 0.024 0.000 1.016 371 N CA 1.820 54.883 53.050 0.022 0.000 0.872 371 N CB -0.122 38.366 38.487 0.002 0.000 0.973 371 N HN 0.700 nan 8.380 nan 0.000 0.433 372 T N -3.793 110.773 114.554 0.020 0.000 3.069 372 T HA 0.033 4.384 4.350 0.001 0.000 0.252 372 T C 1.616 176.307 174.700 -0.016 0.000 1.053 372 T CA -0.261 61.833 62.100 -0.010 0.000 0.964 372 T CB -0.489 68.355 68.868 -0.040 0.000 1.005 372 T HN 0.196 nan 8.240 nan 0.000 0.532 373 Y N 2.895 123.156 120.300 -0.065 0.000 2.114 373 Y HA -0.114 4.437 4.550 0.001 0.000 0.282 373 Y C 1.845 177.730 175.900 -0.025 0.000 1.165 373 Y CA 1.723 59.784 58.100 -0.064 0.000 1.148 373 Y CB -0.131 38.309 38.460 -0.033 0.000 0.972 373 Y HN 0.304 nan 8.280 nan 0.000 0.504 374 E N 0.425 120.691 120.200 0.110 0.000 2.359 374 E HA 0.310 4.661 4.350 0.001 0.000 0.187 374 E C 0.532 177.103 176.600 -0.048 0.000 1.081 374 E CA 0.337 56.761 56.400 0.040 0.000 0.929 374 E CB -0.225 29.520 29.700 0.076 0.000 1.086 374 E HN 0.545 nan 8.360 nan 0.000 0.462 375 G N 0.754 109.520 108.800 -0.056 0.000 2.479 375 G HA2 -0.201 3.760 3.960 0.001 0.000 0.686 375 G HA3 -0.201 3.760 3.960 0.001 0.000 0.686 375 G C 0.335 175.226 174.900 -0.014 0.000 1.295 375 G CA -0.293 44.817 45.100 0.017 0.000 0.922 375 G HN 0.114 nan 8.290 nan 0.000 0.582 376 T N -3.143 111.452 114.554 0.067 0.000 3.129 376 T HA 0.338 4.689 4.350 0.001 0.000 0.267 376 T C 1.080 175.814 174.700 0.057 0.000 1.018 376 T CA 1.213 63.330 62.100 0.028 0.000 0.903 376 T CB -0.220 68.665 68.868 0.029 0.000 1.067 376 T HN 1.471 nan 8.240 nan 0.000 0.549 377 H N -1.002 118.049 119.070 -0.032 0.000 2.549 377 H HA 0.448 5.004 4.556 0.001 0.000 0.279 377 H C 0.116 175.422 175.328 -0.036 0.000 1.018 377 H CA -0.282 55.749 56.048 -0.030 0.000 1.175 377 H CB 0.010 29.756 29.762 -0.028 0.000 1.485 377 H HN 0.146 nan 8.280 nan 0.000 0.543 378 D N 0.879 121.084 120.400 -0.325 0.000 2.828 378 D HA -0.231 4.410 4.640 0.001 0.000 0.241 378 D C 1.051 177.146 176.300 -0.342 0.000 1.142 378 D CA 0.627 54.479 54.000 -0.246 0.000 0.755 378 D CB -1.302 39.440 40.800 -0.097 0.000 1.014 378 D HN 0.710 nan 8.370 nan 0.000 0.420 379 I N 0.967 121.170 120.570 -0.611 0.000 2.185 379 I HA -0.354 3.816 4.170 0.001 0.000 0.246 379 I C 1.962 177.838 176.117 -0.401 0.000 1.088 379 I CA 1.412 62.387 61.300 -0.542 0.000 1.347 379 I CB -0.036 37.592 38.000 -0.621 0.000 1.041 379 I HN 0.348 nan 8.210 nan 0.000 0.415 380 H N 0.674 119.666 119.070 -0.130 0.000 2.395 380 H HA 0.002 4.558 4.556 0.001 0.000 0.299 380 H C 2.291 177.579 175.328 -0.067 0.000 1.070 380 H CA 1.286 57.280 56.048 -0.090 0.000 1.356 380 H CB -0.416 29.296 29.762 -0.083 0.000 1.401 380 H HN 0.494 nan 8.280 nan 0.000 0.524 381 A N 1.349 124.177 122.820 0.013 0.000 1.933 381 A HA -0.106 4.214 4.320 0.001 0.000 0.218 381 A C 2.640 180.221 177.584 -0.005 0.000 1.175 381 A CA 1.071 53.108 52.037 -0.000 0.000 0.628 381 A CB -0.781 18.210 19.000 -0.015 0.000 0.814 381 A HN 0.273 nan 8.150 nan 0.000 0.444 382 L N -0.990 120.219 121.223 -0.023 0.000 2.109 382 L HA -0.083 4.257 4.340 0.001 0.000 0.207 382 L C 2.422 179.292 176.870 0.001 0.000 1.086 382 L CA 0.857 55.695 54.840 -0.004 0.000 0.760 382 L CB -0.533 41.534 42.059 0.013 0.000 0.910 382 L HN 0.322 nan 8.230 nan 0.000 0.437 383 I N 0.047 120.611 120.570 -0.010 0.000 2.208 383 I HA -0.320 3.850 4.170 0.001 0.000 0.245 383 I C 2.413 178.540 176.117 0.017 0.000 1.097 383 I CA 1.502 62.806 61.300 0.006 0.000 1.363 383 I CB -0.156 37.852 38.000 0.014 0.000 1.051 383 I HN 0.201 nan 8.210 nan 0.000 0.413 384 L N -0.137 121.097 121.223 0.019 0.000 2.109 384 L HA -0.071 4.269 4.340 0.001 0.000 0.207 384 L C 2.640 179.515 176.870 0.008 0.000 1.086 384 L CA 1.373 56.221 54.840 0.013 0.000 0.760 384 L CB -1.047 41.019 42.059 0.011 0.000 0.910 384 L HN 0.301 nan 8.230 nan 0.000 0.437 385 G N -0.391 108.414 108.800 0.008 0.000 2.402 385 G HA2 -0.261 3.700 3.960 0.001 0.000 0.216 385 G HA3 -0.261 3.700 3.960 0.001 0.000 0.216 385 G C 1.749 176.655 174.900 0.010 0.000 1.162 385 G CA 0.484 45.588 45.100 0.007 0.000 0.777 385 G HN 0.218 nan 8.290 nan 0.000 0.539 386 R N 0.479 120.987 120.500 0.013 0.000 2.096 386 R HA 0.041 4.381 4.340 0.001 0.000 0.235 386 R C 2.818 179.128 176.300 0.016 0.000 1.127 386 R CA 1.317 57.426 56.100 0.016 0.000 0.968 386 R CB -0.326 29.987 30.300 0.022 0.000 0.861 386 R HN 0.285 nan 8.270 nan 0.000 0.440 387 A N 0.401 123.230 122.820 0.015 0.000 2.019 387 A HA -0.176 4.145 4.320 0.001 0.000 0.219 387 A C 1.916 179.506 177.584 0.009 0.000 1.164 387 A CA 1.215 53.260 52.037 0.014 0.000 0.644 387 A CB -0.233 18.774 19.000 0.013 0.000 0.805 387 A HN 0.469 nan 8.150 nan 0.000 0.449 388 Q N -1.383 118.422 119.800 0.007 0.000 2.204 388 Q HA -0.058 4.282 4.340 0.001 0.000 0.198 388 Q C 2.142 178.145 176.000 0.005 0.000 0.946 388 Q CA 1.625 57.430 55.803 0.005 0.000 0.859 388 Q CB 0.063 28.802 28.738 0.002 0.000 0.946 388 Q HN 0.851 nan 8.270 nan 0.000 0.474 389 T N -5.035 109.523 114.554 0.007 0.000 2.990 389 T HA 0.304 4.655 4.350 0.001 0.000 0.249 389 T C 1.432 176.137 174.700 0.008 0.000 1.039 389 T CA 0.696 62.800 62.100 0.007 0.000 1.036 389 T CB 0.883 69.755 68.868 0.007 0.000 0.994 389 T HN 0.366 nan 8.240 nan 0.000 0.489 390 G N 1.540 110.347 108.800 0.011 0.000 2.217 390 G HA2 -0.177 3.784 3.960 0.001 0.000 0.246 390 G HA3 -0.177 3.784 3.960 0.001 0.000 0.246 390 G C -0.020 174.888 174.900 0.014 0.000 0.990 390 G CA 0.063 45.171 45.100 0.012 0.000 0.627 390 G HN 0.654 nan 8.290 nan 0.000 0.522 391 I N 1.526 122.103 120.570 0.013 0.000 2.354 391 I HA 0.333 4.503 4.170 0.001 0.000 0.292 391 I C 0.599 176.725 176.117 0.016 0.000 0.989 391 I CA -0.608 60.700 61.300 0.013 0.000 1.188 391 I CB 1.744 39.750 38.000 0.010 0.000 1.342 391 I HN 0.088 nan 8.210 nan 0.000 0.457 392 Q N 4.838 124.649 119.800 0.018 0.000 2.304 392 Q HA 0.423 4.763 4.340 0.001 0.000 0.260 392 Q C 0.011 176.022 176.000 0.018 0.000 0.965 392 Q CA -0.445 55.371 55.803 0.021 0.000 0.898 392 Q CB 1.489 30.241 28.738 0.025 0.000 1.196 392 Q HN 0.824 nan 8.270 nan 0.000 0.402 393 A N 0.000 122.833 122.820 0.021 0.000 2.254 393 A HA 0.000 4.320 4.320 0.001 0.000 0.244 393 A CA 0.000 52.048 52.037 0.019 0.000 0.836 393 A CB 0.000 19.015 19.000 0.026 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486