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 3eom_1_B DATA FIRST_RESID 4 DATA SEQUENCE ATFHWDDPLL LDQQLADDER MVRDAAHAYA QGKLAPRVTE AFRHETTDAA DATA SEQUENCE IFREMGEIGL LGPTIPEQYG GPGLDYVSYG LIAREVERVD SGYRSMMSVQ DATA SEQUENCE SSLVMVPIFE FGSDAQKEKY LPKLATGEWI GCFGLTEPNH XXXXGSMVTR DATA SEQUENCE ARKVPGGYSL SGSKMWITNS PIADVFVVWA KLDXXXXDEI RGFILEKGCK DATA SEQUENCE GLSAPAIHGK VGLRASITGE IVLDEAFVPE ENILPHVKGL RGPFTCLNSA DATA SEQUENCE RYGIAWGALG AAESCWHIAR QYVLDRKQFG RPLAANQLIQ KKLADMQTEI DATA SEQUENCE TLGLQGVLRL GRMKDEGTAA VEITSIMKRN SCGKALDIAR LARDMLGXXX DATA SEQUENCE XSDEFGVARH 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 0.000 177.651 177.584 0.112 0.000 1.274 4 A CA 0.000 52.088 52.037 0.085 0.000 0.836 4 A CB 0.000 19.055 19.000 0.092 0.000 0.831 5 T N 0.862 115.493 114.554 0.127 0.000 2.856 5 T HA 0.560 4.910 4.350 0.001 0.000 0.292 5 T C -0.370 174.456 174.700 0.210 0.000 0.980 5 T CA -0.165 62.004 62.100 0.114 0.000 1.091 5 T CB -0.098 68.778 68.868 0.014 0.000 0.936 5 T HN 0.881 nan 8.240 nan 0.000 0.503 6 F N 4.409 124.374 119.950 0.026 0.000 2.410 6 F HA 0.375 4.902 4.527 0.000 0.000 0.348 6 F C -0.051 175.741 175.800 -0.013 0.000 1.106 6 F CA -0.592 57.457 58.000 0.081 0.000 1.163 6 F CB 0.515 39.567 39.000 0.088 0.000 1.129 6 F HN 0.703 nan 8.300 nan 0.000 0.516 7 H N 7.343 125.987 119.070 -0.709 0.000 2.690 7 H HA 0.073 4.629 4.556 0.001 0.000 0.280 7 H C 0.576 175.273 175.328 -1.052 0.000 1.138 7 H CA -0.778 54.851 56.048 -0.699 0.000 1.241 7 H CB 0.189 29.695 29.762 -0.426 0.000 1.394 7 H HN 0.772 nan 8.280 nan 0.000 0.489 8 W N 3.616 124.454 121.300 -0.771 0.000 2.350 8 W HA -0.165 4.495 4.660 -0.000 0.000 0.289 8 W C 0.169 176.679 176.519 -0.015 0.000 1.215 8 W CA 1.375 58.486 57.345 -0.390 0.000 1.236 8 W CB -0.141 29.322 29.460 0.005 0.000 1.130 8 W HN 0.530 nan 8.180 nan 0.000 0.541 9 D N -0.332 119.482 120.400 -0.976 0.000 2.349 9 D HA -0.056 4.584 4.640 0.001 0.000 0.215 9 D C -0.122 176.014 176.300 -0.274 0.000 1.016 9 D CA 0.448 53.871 54.000 -0.962 0.000 0.870 9 D CB -0.458 39.252 40.800 -1.817 0.000 0.917 9 D HN 0.114 nan 8.370 nan 0.000 0.524 10 D N -0.389 119.883 120.400 -0.212 0.000 3.407 10 D HA 0.164 4.804 4.640 0.001 0.000 0.291 10 D C -2.147 174.093 176.300 -0.101 0.000 1.309 10 D CA -1.319 52.615 54.000 -0.111 0.000 0.747 10 D CB 1.014 41.711 40.800 -0.171 0.000 1.343 10 D HN -0.195 nan 8.370 nan 0.000 0.631 11 P HA -0.040 nan 4.420 nan 0.000 0.218 11 P C 1.307 178.656 177.300 0.082 0.000 1.148 11 P CA 0.841 63.969 63.100 0.047 0.000 0.822 11 P CB 0.317 32.177 31.700 0.267 0.000 0.784 12 L N -1.312 119.934 121.223 0.038 0.000 2.611 12 L HA 0.173 4.514 4.340 0.001 0.000 0.229 12 L C 0.356 177.210 176.870 -0.026 0.000 1.137 12 L CA -0.173 54.680 54.840 0.021 0.000 0.901 12 L CB -0.536 41.534 42.059 0.018 0.000 1.098 12 L HN -0.088 nan 8.230 nan 0.000 0.456 13 L N 0.230 121.403 121.223 -0.083 0.000 3.713 13 L HA -0.264 4.077 4.340 0.001 0.000 0.499 13 L C 1.483 178.302 176.870 -0.085 0.000 1.281 13 L CA -0.243 54.511 54.840 -0.144 0.000 0.796 13 L CB -1.071 40.890 42.059 -0.164 0.000 1.535 13 L HN 0.305 nan 8.230 nan 0.000 0.851 14 L N 0.112 121.301 121.223 -0.057 0.000 2.127 14 L HA -0.181 4.159 4.340 0.001 0.000 0.211 14 L C 1.979 178.841 176.870 -0.012 0.000 1.089 14 L CA 2.480 57.312 54.840 -0.013 0.000 0.757 14 L CB -0.293 41.775 42.059 0.016 0.000 0.899 14 L HN 0.407 nan 8.230 nan 0.000 0.434 15 D N -0.353 120.017 120.400 -0.050 0.000 2.126 15 D HA -0.325 4.315 4.640 0.001 0.000 0.190 15 D C 2.076 178.350 176.300 -0.042 0.000 1.001 15 D CA 1.774 55.742 54.000 -0.054 0.000 0.841 15 D CB -0.160 40.581 40.800 -0.098 0.000 0.949 15 D HN 0.625 nan 8.370 nan 0.000 0.446 16 Q N -0.357 119.409 119.800 -0.057 0.000 2.541 16 Q HA -0.105 4.235 4.340 0.001 0.000 0.215 16 Q C 1.211 177.200 176.000 -0.017 0.000 0.977 16 Q CA 0.746 56.523 55.803 -0.042 0.000 0.934 16 Q CB 0.095 28.797 28.738 -0.059 0.000 0.988 16 Q HN 0.398 nan 8.270 nan 0.000 0.521 17 Q N -0.340 119.458 119.800 -0.003 0.000 2.247 17 Q HA 0.261 4.602 4.340 0.001 0.000 0.211 17 Q C -0.459 175.560 176.000 0.033 0.000 0.861 17 Q CA -0.154 55.659 55.803 0.017 0.000 0.949 17 Q CB 0.875 29.629 28.738 0.027 0.000 1.115 17 Q HN 0.295 nan 8.270 nan 0.000 0.507 18 L N 0.719 121.957 121.223 0.024 0.000 2.317 18 L HA 0.578 4.918 4.340 0.001 0.000 0.281 18 L C 0.132 177.008 176.870 0.010 0.000 1.024 18 L CA -1.073 53.784 54.840 0.028 0.000 0.810 18 L CB 1.211 43.285 42.059 0.026 0.000 1.240 18 L HN -0.013 nan 8.230 nan 0.000 0.427 19 A N 1.413 124.240 122.820 0.011 0.000 2.492 19 A HA 0.005 4.326 4.320 0.001 0.000 0.236 19 A C 0.837 178.416 177.584 -0.008 0.000 1.078 19 A CA -0.140 51.898 52.037 0.001 0.000 0.773 19 A CB 0.108 19.109 19.000 0.002 0.000 1.023 19 A HN 0.862 nan 8.150 nan 0.000 0.504 20 D N 0.242 120.635 120.400 -0.011 0.000 2.178 20 D HA -0.145 4.495 4.640 0.001 0.000 0.201 20 D C 1.378 177.666 176.300 -0.020 0.000 0.980 20 D CA 1.746 55.736 54.000 -0.016 0.000 0.842 20 D CB -0.096 40.695 40.800 -0.016 0.000 0.948 20 D HN 0.775 nan 8.370 nan 0.000 0.472 21 D N 0.361 120.749 120.400 -0.020 0.000 2.277 21 D HA -0.106 4.535 4.640 0.001 0.000 0.208 21 D C 1.501 177.784 176.300 -0.029 0.000 0.962 21 D CA 0.456 54.441 54.000 -0.025 0.000 0.865 21 D CB -0.350 40.434 40.800 -0.027 0.000 0.939 21 D HN 0.263 nan 8.370 nan 0.000 0.510 22 E N 0.670 120.854 120.200 -0.026 0.000 2.072 22 E HA -0.026 4.324 4.350 0.001 0.000 0.190 22 E C 2.259 178.839 176.600 -0.033 0.000 0.982 22 E CA 0.439 56.820 56.400 -0.032 0.000 0.803 22 E CB 0.098 29.786 29.700 -0.020 0.000 0.755 22 E HN 0.219 nan 8.360 nan 0.000 0.453 23 R N 0.230 120.715 120.500 -0.025 0.000 2.148 23 R HA -0.051 4.289 4.340 0.001 0.000 0.227 23 R C 2.336 178.619 176.300 -0.029 0.000 1.103 23 R CA 1.058 57.142 56.100 -0.027 0.000 0.983 23 R CB -0.191 30.092 30.300 -0.028 0.000 0.874 23 R HN 0.236 nan 8.270 nan 0.000 0.451 24 M N 0.515 120.099 119.600 -0.027 0.000 2.123 24 M HA -0.124 4.357 4.480 0.001 0.000 0.263 24 M C 1.884 178.172 176.300 -0.019 0.000 1.069 24 M CA 1.560 56.846 55.300 -0.023 0.000 1.133 24 M CB 0.125 32.711 32.600 -0.023 0.000 1.356 24 M HN -0.047 nan 8.290 nan 0.000 0.415 25 V N 1.080 120.978 119.914 -0.028 0.000 2.392 25 V HA -0.291 3.829 4.120 0.001 0.000 0.249 25 V C 2.574 178.658 176.094 -0.018 0.000 1.059 25 V CA 2.292 64.574 62.300 -0.030 0.000 1.051 25 V CB -1.158 30.636 31.823 -0.048 0.000 0.658 25 V HN 0.573 nan 8.190 nan 0.000 0.455 26 R N 0.165 120.652 120.500 -0.020 0.000 2.066 26 R HA -0.178 4.162 4.340 0.001 0.000 0.232 26 R C 1.983 178.310 176.300 0.044 0.000 1.131 26 R CA 2.138 58.238 56.100 -0.001 0.000 0.955 26 R CB -0.362 29.930 30.300 -0.014 0.000 0.851 26 R HN 0.468 nan 8.270 nan 0.000 0.432 27 D N 0.547 120.960 120.400 0.022 0.000 2.144 27 D HA -0.069 4.572 4.640 0.001 0.000 0.200 27 D C 1.801 178.151 176.300 0.083 0.000 0.978 27 D CA 1.352 55.375 54.000 0.039 0.000 0.833 27 D CB -0.306 40.485 40.800 -0.015 0.000 0.961 27 D HN 0.385 nan 8.370 nan 0.000 0.470 28 A N 1.374 124.222 122.820 0.048 0.000 1.859 28 A HA -0.168 4.152 4.320 0.001 0.000 0.217 28 A C 2.356 179.993 177.584 0.089 0.000 1.198 28 A CA 2.769 54.836 52.037 0.050 0.000 0.629 28 A CB -1.007 17.999 19.000 0.011 0.000 0.830 28 A HN 0.248 nan 8.150 nan 0.000 0.446 29 A N -1.225 121.643 122.820 0.081 0.000 1.908 29 A HA -0.208 4.112 4.320 0.001 0.000 0.218 29 A C 2.012 179.684 177.584 0.145 0.000 1.181 29 A CA 2.236 54.340 52.037 0.113 0.000 0.627 29 A CB -1.004 18.039 19.000 0.071 0.000 0.818 29 A HN 0.835 nan 8.150 nan 0.000 0.445 30 H N -0.156 118.941 119.070 0.045 0.000 2.290 30 H HA -0.061 4.496 4.556 0.001 0.000 0.298 30 H C 2.240 177.584 175.328 0.026 0.000 1.087 30 H CA 2.346 58.413 56.048 0.031 0.000 1.291 30 H CB -0.236 29.535 29.762 0.016 0.000 1.369 30 H HN 0.413 nan 8.280 nan 0.000 0.492 31 A N -0.053 122.875 122.820 0.180 0.000 1.883 31 A HA -0.265 4.055 4.320 0.001 0.000 0.217 31 A C 2.388 179.996 177.584 0.039 0.000 1.186 31 A CA 1.824 53.926 52.037 0.109 0.000 0.624 31 A CB -1.536 17.532 19.000 0.112 0.000 0.822 31 A HN 0.757 nan 8.150 nan 0.000 0.444 32 Y N 0.417 120.697 120.300 -0.034 0.000 2.145 32 Y HA -0.102 4.448 4.550 0.001 0.000 0.286 32 Y C 2.660 178.502 175.900 -0.097 0.000 1.145 32 Y CA 1.637 59.700 58.100 -0.061 0.000 1.148 32 Y CB -0.446 37.978 38.460 -0.060 0.000 0.981 32 Y HN 0.333 nan 8.280 nan 0.000 0.507 33 A N 0.457 123.115 122.820 -0.270 0.000 1.865 33 A HA -0.247 4.074 4.320 0.001 0.000 0.217 33 A C 2.075 179.450 177.584 -0.347 0.000 1.191 33 A CA 2.004 53.831 52.037 -0.349 0.000 0.623 33 A CB -0.777 18.134 19.000 -0.149 0.000 0.826 33 A HN 0.584 nan 8.150 nan 0.000 0.444 34 Q N -0.630 118.982 119.800 -0.312 0.000 2.119 34 Q HA -0.088 4.253 4.340 0.001 0.000 0.201 34 Q C 2.211 178.096 176.000 -0.191 0.000 0.972 34 Q CA 1.581 57.235 55.803 -0.247 0.000 0.847 34 Q CB -1.014 27.554 28.738 -0.283 0.000 0.903 34 Q HN 0.655 nan 8.270 nan 0.000 0.433 35 G N 0.880 109.565 108.800 -0.193 0.000 2.394 35 G HA2 -0.181 3.779 3.960 0.001 0.000 0.215 35 G HA3 -0.181 3.779 3.960 0.001 0.000 0.215 35 G C 1.622 176.404 174.900 -0.197 0.000 1.165 35 G CA 0.489 45.502 45.100 -0.145 0.000 0.784 35 G HN 0.131 nan 8.290 nan 0.000 0.535 36 K N -0.593 119.580 120.400 -0.377 0.000 2.367 36 K HA 0.374 4.695 4.320 0.001 0.000 0.198 36 K C 2.413 178.763 176.600 -0.416 0.000 1.132 36 K CA 0.024 56.070 56.287 -0.402 0.000 0.941 36 K CB -0.024 32.174 32.500 -0.504 0.000 1.052 36 K HN 0.278 nan 8.250 nan 0.000 0.507 37 L N 0.497 121.398 121.223 -0.536 0.000 2.145 37 L HA 0.087 4.427 4.340 0.001 0.000 0.201 37 L C 2.434 179.209 176.870 -0.157 0.000 1.075 37 L CA 0.898 55.466 54.840 -0.454 0.000 0.773 37 L CB -0.492 41.221 42.059 -0.577 0.000 0.936 37 L HN -0.003 nan 8.230 nan 0.000 0.451 38 A N 0.919 123.662 122.820 -0.128 0.000 1.948 38 A HA -0.141 4.180 4.320 0.001 0.000 0.220 38 A C -0.168 177.404 177.584 -0.021 0.000 1.177 38 A CA 1.766 53.778 52.037 -0.042 0.000 0.636 38 A CB -1.826 17.135 19.000 -0.064 0.000 0.815 38 A HN 0.314 nan 8.150 nan 0.000 0.449 39 P HA -0.054 nan 4.420 nan 0.000 0.229 39 P C 1.282 178.590 177.300 0.013 0.000 1.160 39 P CA 0.715 63.805 63.100 -0.017 0.000 0.777 39 P CB 0.012 31.693 31.700 -0.031 0.000 0.814 40 R N -0.854 119.660 120.500 0.023 0.000 2.140 40 R HA 0.071 4.412 4.340 0.001 0.000 0.213 40 R C 2.135 178.516 176.300 0.136 0.000 1.059 40 R CA 0.493 56.639 56.100 0.077 0.000 1.000 40 R CB -1.275 29.071 30.300 0.077 0.000 0.910 40 R HN 0.092 nan 8.270 nan 0.000 0.455 41 V N 1.481 121.490 119.914 0.158 0.000 2.343 41 V HA -0.237 3.883 4.120 0.001 0.000 0.247 41 V C 1.800 177.959 176.094 0.109 0.000 1.051 41 V CA 2.285 64.696 62.300 0.185 0.000 1.036 41 V CB -0.346 31.578 31.823 0.167 0.000 0.654 41 V HN 0.334 nan 8.190 nan 0.000 0.451 42 T N -0.017 114.576 114.554 0.065 0.000 2.635 42 T HA -0.192 4.158 4.350 0.001 0.000 0.267 42 T C 1.838 176.588 174.700 0.083 0.000 1.040 42 T CA 1.865 63.997 62.100 0.053 0.000 1.156 42 T CB -0.303 68.585 68.868 0.032 0.000 0.863 42 T HN 0.501 nan 8.240 nan 0.000 0.430 43 E N 0.971 121.223 120.200 0.086 0.000 2.072 43 E HA 0.061 4.412 4.350 0.001 0.000 0.190 43 E C 2.620 179.292 176.600 0.121 0.000 0.982 43 E CA 1.040 57.496 56.400 0.092 0.000 0.803 43 E CB -0.677 29.113 29.700 0.151 0.000 0.755 43 E HN 0.483 nan 8.360 nan 0.000 0.453 44 A N 1.000 123.912 122.820 0.153 0.000 1.892 44 A HA -0.219 4.102 4.320 0.001 0.000 0.218 44 A C 2.164 179.818 177.584 0.116 0.000 1.188 44 A CA 1.635 53.768 52.037 0.161 0.000 0.631 44 A CB -0.965 18.168 19.000 0.220 0.000 0.822 44 A HN 0.299 nan 8.150 nan 0.000 0.447 45 F N 0.109 120.039 119.950 -0.035 0.000 2.051 45 F HA -0.150 4.377 4.527 0.001 0.000 0.296 45 F C 2.454 178.205 175.800 -0.081 0.000 1.122 45 F CA 2.144 60.099 58.000 -0.076 0.000 1.201 45 F CB -0.308 38.625 39.000 -0.113 0.000 0.978 45 F HN 0.143 nan 8.300 nan 0.000 0.472 46 R N -0.712 119.804 120.500 0.028 0.000 2.103 46 R HA -0.207 4.134 4.340 0.001 0.000 0.242 46 R C 1.228 177.316 176.300 -0.354 0.000 1.142 46 R CA 2.207 58.184 56.100 -0.205 0.000 0.960 46 R CB -0.567 29.540 30.300 -0.322 0.000 0.858 46 R HN 0.501 nan 8.270 nan 0.000 0.439 47 H N -1.219 117.841 119.070 -0.016 0.000 2.505 47 H HA 0.136 4.693 4.556 0.001 0.000 0.286 47 H C -0.305 175.008 175.328 -0.024 0.000 1.072 47 H CA 0.006 56.044 56.048 -0.017 0.000 1.141 47 H CB 0.579 30.349 29.762 0.013 0.000 1.550 47 H HN 0.237 nan 8.280 nan 0.000 0.547 48 E N 1.742 121.937 120.200 -0.009 0.000 2.403 48 E HA -0.197 4.153 4.350 0.001 0.000 0.241 48 E C -0.464 176.186 176.600 0.084 0.000 1.201 48 E CA 0.588 56.984 56.400 -0.007 0.000 0.721 48 E CB -0.724 28.977 29.700 0.001 0.000 1.245 48 E HN 0.558 nan 8.360 nan 0.000 0.392 49 T N -1.583 113.037 114.554 0.110 0.000 2.845 49 T HA 0.562 4.913 4.350 0.001 0.000 0.288 49 T C 0.135 174.920 174.700 0.142 0.000 0.980 49 T CA -0.386 61.792 62.100 0.129 0.000 1.071 49 T CB 1.932 70.881 68.868 0.136 0.000 0.941 49 T HN 0.066 nan 8.240 nan 0.000 0.487 50 T N 2.220 116.865 114.554 0.151 0.000 2.887 50 T HA 0.493 4.843 4.350 0.001 0.000 0.288 50 T C -1.127 173.679 174.700 0.176 0.000 1.021 50 T CA -0.752 61.460 62.100 0.185 0.000 1.000 50 T CB 1.707 70.696 68.868 0.202 0.000 1.034 50 T HN 0.743 nan 8.240 nan 0.000 0.467 51 D N 1.348 121.861 120.400 0.188 0.000 2.461 51 D HA 0.456 5.097 4.640 0.001 0.000 0.240 51 D C 0.914 177.334 176.300 0.200 0.000 1.094 51 D CA -0.820 53.276 54.000 0.159 0.000 0.868 51 D CB 1.038 41.911 40.800 0.121 0.000 1.062 51 D HN 0.569 nan 8.370 nan 0.000 0.530 52 A N 3.262 126.220 122.820 0.229 0.000 2.272 52 A HA 0.021 4.342 4.320 0.001 0.000 0.213 52 A C 1.956 179.734 177.584 0.324 0.000 1.183 52 A CA 1.428 53.669 52.037 0.340 0.000 0.719 52 A CB -0.309 18.813 19.000 0.203 0.000 0.771 52 A HN 0.591 nan 8.150 nan 0.000 0.484 53 A N 0.171 123.111 122.820 0.199 0.000 2.015 53 A HA -0.030 4.290 4.320 0.001 0.000 0.219 53 A C 1.926 179.589 177.584 0.131 0.000 1.163 53 A CA 1.196 53.321 52.037 0.147 0.000 0.646 53 A CB -0.525 18.535 19.000 0.101 0.000 0.806 53 A HN 0.547 nan 8.150 nan 0.000 0.448 54 I N -1.478 119.151 120.570 0.099 0.000 2.194 54 I HA -0.319 3.852 4.170 0.001 0.000 0.246 54 I C 2.167 178.234 176.117 -0.084 0.000 1.093 54 I CA 1.562 62.853 61.300 -0.015 0.000 1.355 54 I CB -0.496 37.411 38.000 -0.155 0.000 1.046 54 I HN 0.330 nan 8.210 nan 0.000 0.413 55 F N 0.638 120.610 119.950 0.035 0.000 2.134 55 F HA -0.184 4.344 4.527 0.001 0.000 0.299 55 F C 2.759 178.550 175.800 -0.014 0.000 1.097 55 F CA 1.542 59.551 58.000 0.015 0.000 1.264 55 F CB -0.546 38.479 39.000 0.042 0.000 1.001 55 F HN -0.058 nan 8.300 nan 0.000 0.479 56 R N 0.966 121.574 120.500 0.181 0.000 2.070 56 R HA -0.189 4.151 4.340 0.001 0.000 0.233 56 R C 1.953 178.251 176.300 -0.004 0.000 1.137 56 R CA 2.164 58.312 56.100 0.081 0.000 0.945 56 R CB -0.380 29.969 30.300 0.081 0.000 0.845 56 R HN 0.312 nan 8.270 nan 0.000 0.430 57 E N 0.050 120.231 120.200 -0.030 0.000 2.106 57 E HA -0.182 4.169 4.350 0.001 0.000 0.192 57 E C 2.153 178.521 176.600 -0.387 0.000 0.984 57 E CA 1.617 57.938 56.400 -0.132 0.000 0.806 57 E CB -0.076 29.631 29.700 0.012 0.000 0.750 57 E HN 0.444 nan 8.360 nan 0.000 0.458 58 M N 0.174 119.533 119.600 -0.402 0.000 2.200 58 M HA -0.027 4.453 4.480 0.001 0.000 0.265 58 M C 2.485 178.646 176.300 -0.230 0.000 1.066 58 M CA 1.395 56.434 55.300 -0.435 0.000 1.127 58 M CB -0.348 32.062 32.600 -0.316 0.000 1.379 58 M HN 0.209 nan 8.290 nan 0.000 0.420 59 G N 0.169 108.898 108.800 -0.117 0.000 2.418 59 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 59 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 59 G C 1.316 176.166 174.900 -0.084 0.000 1.158 59 G CA 0.924 45.985 45.100 -0.065 0.000 0.771 59 G HN 0.542 nan 8.290 nan 0.000 0.545 60 E N 0.603 120.748 120.200 -0.093 0.000 2.086 60 E HA -0.182 4.169 4.350 0.001 0.000 0.200 60 E C 2.233 178.775 176.600 -0.097 0.000 1.012 60 E CA 1.452 57.802 56.400 -0.084 0.000 0.812 60 E CB -0.260 29.393 29.700 -0.078 0.000 0.743 60 E HN 0.635 nan 8.360 nan 0.000 0.453 61 I N -3.298 117.187 120.570 -0.141 0.000 3.855 61 I HA 0.379 4.550 4.170 0.001 0.000 0.327 61 I C 0.854 176.900 176.117 -0.120 0.000 1.359 61 I CA 0.344 61.567 61.300 -0.128 0.000 1.142 61 I CB 0.032 37.943 38.000 -0.149 0.000 1.041 61 I HN 0.188 nan 8.210 nan 0.000 0.403 62 G N 2.594 111.325 108.800 -0.114 0.000 2.295 62 G HA2 -0.244 3.716 3.960 0.001 0.000 0.287 62 G HA3 -0.244 3.716 3.960 0.001 0.000 0.287 62 G C 0.328 175.162 174.900 -0.110 0.000 1.055 62 G CA 0.388 45.427 45.100 -0.101 0.000 0.922 62 G HN 0.536 nan 8.290 nan 0.000 0.503 63 L N -1.169 119.977 121.223 -0.129 0.000 2.607 63 L HA 0.367 4.707 4.340 0.001 0.000 0.228 63 L C 1.103 177.915 176.870 -0.096 0.000 1.123 63 L CA 0.123 54.895 54.840 -0.114 0.000 0.890 63 L CB 0.022 41.997 42.059 -0.141 0.000 1.103 63 L HN 0.240 nan 8.230 nan 0.000 0.468 64 L N -0.204 120.962 121.223 -0.094 0.000 2.317 64 L HA 0.505 4.845 4.340 0.001 0.000 0.281 64 L C 1.004 177.805 176.870 -0.115 0.000 1.024 64 L CA -0.557 54.240 54.840 -0.073 0.000 0.810 64 L CB 1.529 43.582 42.059 -0.010 0.000 1.240 64 L HN 0.153 nan 8.230 nan 0.000 0.427 65 G N 3.131 111.833 108.800 -0.162 0.000 2.393 65 G HA2 -0.192 3.768 3.960 0.001 0.000 0.299 65 G HA3 -0.192 3.768 3.960 0.001 0.000 0.299 65 G C -1.295 173.433 174.900 -0.287 0.000 0.990 65 G CA -0.079 44.878 45.100 -0.238 0.000 1.118 65 G HN 0.604 nan 8.290 nan 0.000 0.513 66 P HA -0.167 nan 4.420 nan 0.000 0.218 66 P C 1.835 178.954 177.300 -0.303 0.000 1.146 66 P CA 2.082 65.022 63.100 -0.267 0.000 0.813 66 P CB -0.173 31.394 31.700 -0.223 0.000 0.778 67 T N -4.021 110.284 114.554 -0.414 0.000 3.129 67 T HA 0.103 4.454 4.350 0.001 0.000 0.251 67 T C 0.973 175.401 174.700 -0.452 0.000 1.117 67 T CA -0.221 61.605 62.100 -0.456 0.000 1.034 67 T CB -0.509 67.984 68.868 -0.625 0.000 0.968 67 T HN -0.164 nan 8.240 nan 0.000 0.526 68 I N 3.236 123.557 120.570 -0.414 0.000 2.496 68 I HA 0.322 4.493 4.170 0.001 0.000 0.285 68 I C -2.356 173.576 176.117 -0.308 0.000 1.080 68 I CA -3.200 57.824 61.300 -0.460 0.000 1.404 68 I CB 0.348 38.153 38.000 -0.325 0.000 1.403 68 I HN -0.005 nan 8.210 nan 0.000 0.539 69 P HA 0.037 nan 4.420 nan 0.000 0.266 69 P C 0.678 177.924 177.300 -0.089 0.000 1.193 69 P CA 0.051 63.067 63.100 -0.140 0.000 0.770 69 P CB 0.656 32.333 31.700 -0.040 0.000 0.836 70 E N 1.362 121.504 120.200 -0.097 0.000 2.118 70 E HA -0.304 4.046 4.350 0.001 0.000 0.195 70 E C 1.818 178.351 176.600 -0.112 0.000 0.992 70 E CA 1.060 57.407 56.400 -0.089 0.000 0.804 70 E CB -0.169 29.481 29.700 -0.084 0.000 0.741 70 E HN 0.577 nan 8.360 nan 0.000 0.458 71 Q N -0.129 119.567 119.800 -0.174 0.000 2.224 71 Q HA -0.241 4.100 4.340 0.001 0.000 0.213 71 Q C 0.686 176.414 176.000 -0.453 0.000 0.998 71 Q CA 1.689 57.285 55.803 -0.344 0.000 0.895 71 Q CB -0.041 28.413 28.738 -0.474 0.000 0.926 71 Q HN 0.424 nan 8.270 nan 0.000 0.417 72 Y N -1.899 118.404 120.300 0.005 0.000 2.584 72 Y HA 0.359 4.909 4.550 0.001 0.000 0.254 72 Y C 1.205 177.090 175.900 -0.025 0.000 1.177 72 Y CA 0.236 58.344 58.100 0.013 0.000 1.216 72 Y CB 1.187 39.691 38.460 0.072 0.000 1.172 72 Y HN 0.265 nan 8.280 nan 0.000 0.529 73 G N -0.578 108.247 108.800 0.042 0.000 2.176 73 G HA2 -0.207 3.754 3.960 0.001 0.000 0.232 73 G HA3 -0.207 3.754 3.960 0.001 0.000 0.232 73 G C 0.728 175.611 174.900 -0.028 0.000 0.986 73 G CA -0.221 44.878 45.100 -0.002 0.000 0.643 73 G HN 0.718 nan 8.290 nan 0.000 0.522 74 G N -0.019 108.759 108.800 -0.037 0.000 2.562 74 G HA2 0.589 4.550 3.960 0.001 0.000 0.275 74 G HA3 0.589 4.550 3.960 0.001 0.000 0.275 74 G C -0.841 173.999 174.900 -0.100 0.000 1.196 74 G CA -0.376 44.672 45.100 -0.087 0.000 0.908 74 G HN 0.076 nan 8.290 nan 0.000 0.524 75 P HA 0.118 nan 4.420 nan 0.000 0.249 75 P C 1.075 178.305 177.300 -0.117 0.000 1.229 75 P CA 0.725 63.761 63.100 -0.108 0.000 0.788 75 P CB 0.546 32.182 31.700 -0.107 0.000 1.072 76 G N -0.198 108.514 108.800 -0.147 0.000 2.249 76 G HA2 -0.263 3.697 3.960 0.001 0.000 0.273 76 G HA3 -0.263 3.697 3.960 0.001 0.000 0.273 76 G C -0.066 174.744 174.900 -0.150 0.000 1.036 76 G CA -0.064 44.945 45.100 -0.152 0.000 0.824 76 G HN 0.282 nan 8.290 nan 0.000 0.504 77 L N -0.140 120.981 121.223 -0.170 0.000 2.469 77 L HA 0.588 4.928 4.340 0.001 0.000 0.253 77 L C 0.955 177.706 176.870 -0.198 0.000 1.143 77 L CA -0.681 54.067 54.840 -0.153 0.000 0.804 77 L CB 0.440 42.420 42.059 -0.132 0.000 1.214 77 L HN 0.405 nan 8.230 nan 0.000 0.476 78 D N -1.933 118.379 120.400 -0.147 0.000 2.478 78 D HA 0.069 4.709 4.640 0.001 0.000 0.263 78 D C 0.510 176.727 176.300 -0.139 0.000 1.153 78 D CA -0.181 53.726 54.000 -0.154 0.000 1.038 78 D CB 0.371 41.145 40.800 -0.044 0.000 1.120 78 D HN 0.338 nan 8.370 nan 0.000 0.564 79 Y N -0.714 119.584 120.300 -0.003 0.000 2.314 79 Y HA -0.045 4.505 4.550 0.001 0.000 0.293 79 Y C 2.362 178.339 175.900 0.128 0.000 1.129 79 Y CA 0.666 58.789 58.100 0.040 0.000 1.201 79 Y CB -0.293 38.068 38.460 -0.166 0.000 0.999 79 Y HN 0.168 nan 8.280 nan 0.000 0.541 80 V N -1.191 118.847 119.914 0.206 0.000 2.407 80 V HA -0.293 3.828 4.120 0.001 0.000 0.248 80 V C 2.227 178.196 176.094 -0.208 0.000 1.055 80 V CA 2.156 64.493 62.300 0.062 0.000 1.049 80 V CB -0.758 31.128 31.823 0.105 0.000 0.662 80 V HN 0.336 nan 8.190 nan 0.000 0.455 81 S N -1.515 114.127 115.700 -0.096 0.000 2.368 81 S HA -0.210 4.261 4.470 0.001 0.000 0.224 81 S C 1.802 176.337 174.600 -0.108 0.000 1.029 81 S CA 1.658 59.783 58.200 -0.123 0.000 0.988 81 S CB -0.486 62.667 63.200 -0.077 0.000 0.838 81 S HN 0.721 nan 8.310 nan 0.000 0.462 82 Y N 2.122 122.315 120.300 -0.179 0.000 2.114 82 Y HA -0.255 4.296 4.550 0.001 0.000 0.282 82 Y C 2.501 178.228 175.900 -0.289 0.000 1.165 82 Y CA 1.088 59.105 58.100 -0.138 0.000 1.148 82 Y CB -0.716 37.753 38.460 0.014 0.000 0.972 82 Y HN 0.341 nan 8.280 nan 0.000 0.504 83 G N 0.623 109.025 108.800 -0.663 0.000 2.459 83 G HA2 -0.286 3.674 3.960 0.001 0.000 0.217 83 G HA3 -0.286 3.674 3.960 0.001 0.000 0.217 83 G C 1.545 175.696 174.900 -1.248 0.000 1.183 83 G CA 1.322 45.386 45.100 -1.727 0.000 0.776 83 G HN 0.443 nan 8.290 nan 0.000 0.552 84 L N 0.020 120.613 121.223 -1.051 0.000 2.131 84 L HA -0.017 4.323 4.340 0.001 0.000 0.210 84 L C 2.819 179.573 176.870 -0.193 0.000 1.092 84 L CA 0.505 55.053 54.840 -0.486 0.000 0.759 84 L CB -0.326 41.537 42.059 -0.327 0.000 0.903 84 L HN 0.209 nan 8.230 nan 0.000 0.435 85 I N -0.211 120.259 120.570 -0.166 0.000 2.142 85 I HA -0.285 3.885 4.170 0.001 0.000 0.240 85 I C 2.819 178.929 176.117 -0.012 0.000 1.078 85 I CA 1.263 62.541 61.300 -0.035 0.000 1.343 85 I CB -0.497 37.520 38.000 0.027 0.000 1.046 85 I HN 0.186 nan 8.210 nan 0.000 0.405 86 A N 0.816 123.593 122.820 -0.072 0.000 1.883 86 A HA -0.291 4.029 4.320 0.001 0.000 0.217 86 A C 2.420 180.014 177.584 0.016 0.000 1.186 86 A CA 2.182 54.192 52.037 -0.045 0.000 0.624 86 A CB -0.788 18.103 19.000 -0.181 0.000 0.822 86 A HN 0.388 nan 8.150 nan 0.000 0.444 87 R N -0.502 120.023 120.500 0.042 0.000 2.096 87 R HA -0.200 4.141 4.340 0.001 0.000 0.240 87 R C 1.912 178.270 176.300 0.097 0.000 1.139 87 R CA 1.964 58.134 56.100 0.117 0.000 0.952 87 R CB -0.261 30.182 30.300 0.239 0.000 0.854 87 R HN 0.471 nan 8.270 nan 0.000 0.436 88 E N 0.009 120.260 120.200 0.085 0.000 2.150 88 E HA -0.111 4.239 4.350 0.001 0.000 0.193 88 E C 2.104 178.748 176.600 0.072 0.000 0.985 88 E CA 1.139 57.595 56.400 0.093 0.000 0.814 88 E CB -0.151 29.613 29.700 0.106 0.000 0.752 88 E HN 0.270 nan 8.360 nan 0.000 0.466 89 V N 1.067 121.030 119.914 0.082 0.000 2.270 89 V HA -0.216 3.905 4.120 0.001 0.000 0.245 89 V C 2.421 178.592 176.094 0.128 0.000 1.043 89 V CA 1.931 64.293 62.300 0.103 0.000 1.014 89 V CB -0.477 31.414 31.823 0.114 0.000 0.645 89 V HN 0.220 nan 8.190 nan 0.000 0.447 90 E N 0.254 120.520 120.200 0.109 0.000 2.204 90 E HA -0.252 4.098 4.350 0.001 0.000 0.195 90 E C 2.361 179.057 176.600 0.161 0.000 0.990 90 E CA 1.011 57.480 56.400 0.115 0.000 0.821 90 E CB -0.168 29.579 29.700 0.078 0.000 0.750 90 E HN 0.419 nan 8.360 nan 0.000 0.477 91 R N -0.211 120.366 120.500 0.127 0.000 2.117 91 R HA -0.175 4.165 4.340 0.001 0.000 0.243 91 R C 1.877 178.300 176.300 0.204 0.000 1.143 91 R CA 1.690 57.863 56.100 0.123 0.000 0.968 91 R CB -0.068 30.282 30.300 0.084 0.000 0.863 91 R HN 0.144 nan 8.270 nan 0.000 0.444 92 V N -0.527 119.482 119.914 0.158 0.000 2.300 92 V HA -0.028 4.092 4.120 0.001 0.000 0.241 92 V C 0.352 176.491 176.094 0.074 0.000 1.034 92 V CA 1.607 63.989 62.300 0.136 0.000 1.021 92 V CB -0.212 31.679 31.823 0.113 0.000 0.662 92 V HN 0.373 nan 8.190 nan 0.000 0.458 93 D N -2.858 117.596 120.400 0.090 0.000 2.937 93 D HA 0.305 4.946 4.640 0.001 0.000 0.215 93 D C 0.513 176.785 176.300 -0.048 0.000 1.274 93 D CA -0.041 53.888 54.000 -0.118 0.000 0.869 93 D CB 1.992 42.554 40.800 -0.396 0.000 1.675 93 D HN -0.105 nan 8.370 nan 0.000 0.538 94 S N 1.225 116.890 115.700 -0.057 0.000 2.400 94 S HA -0.064 4.406 4.470 0.001 0.000 0.232 94 S C 1.899 176.479 174.600 -0.032 0.000 1.025 94 S CA 1.276 59.469 58.200 -0.013 0.000 0.993 94 S CB -0.147 63.055 63.200 0.003 0.000 0.808 94 S HN 0.641 nan 8.310 nan 0.000 0.478 95 G N 0.237 108.973 108.800 -0.107 0.000 2.433 95 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 95 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 95 G C 1.106 175.992 174.900 -0.025 0.000 1.186 95 G CA 0.648 45.690 45.100 -0.097 0.000 0.779 95 G HN 0.588 nan 8.290 nan 0.000 0.543 96 Y N 0.289 120.601 120.300 0.020 0.000 2.151 96 Y HA -0.158 4.393 4.550 0.001 0.000 0.284 96 Y C 3.087 178.977 175.900 -0.017 0.000 1.166 96 Y CA 1.104 59.197 58.100 -0.012 0.000 1.163 96 Y CB -0.117 38.336 38.460 -0.012 0.000 0.974 96 Y HN 0.039 nan 8.280 nan 0.000 0.511 97 R N 0.529 121.119 120.500 0.151 0.000 2.075 97 R HA -0.158 4.183 4.340 0.001 0.000 0.232 97 R C 2.474 178.814 176.300 0.066 0.000 1.126 97 R CA 1.488 57.644 56.100 0.093 0.000 0.963 97 R CB -0.696 29.642 30.300 0.065 0.000 0.858 97 R HN 0.245 nan 8.270 nan 0.000 0.435 98 S N 0.330 116.059 115.700 0.049 0.000 2.383 98 S HA -0.142 4.328 4.470 0.001 0.000 0.229 98 S C 2.077 176.725 174.600 0.080 0.000 1.030 98 S CA 1.619 59.839 58.200 0.034 0.000 1.002 98 S CB -0.055 63.157 63.200 0.019 0.000 0.829 98 S HN 0.364 nan 8.310 nan 0.000 0.467 99 M N 0.299 119.959 119.600 0.100 0.000 2.156 99 M HA 0.001 4.482 4.480 0.001 0.000 0.264 99 M C 2.494 178.868 176.300 0.124 0.000 1.067 99 M CA 1.406 56.796 55.300 0.151 0.000 1.131 99 M CB -0.465 32.169 32.600 0.056 0.000 1.368 99 M HN 0.366 nan 8.290 nan 0.000 0.416 100 M N 0.629 120.240 119.600 0.017 0.000 2.117 100 M HA -0.170 4.310 4.480 0.001 0.000 0.262 100 M C 2.327 178.687 176.300 0.100 0.000 1.065 100 M CA 2.363 57.681 55.300 0.031 0.000 1.114 100 M CB -0.381 32.227 32.600 0.014 0.000 1.361 100 M HN 0.381 nan 8.290 nan 0.000 0.408 101 S N -0.288 115.479 115.700 0.112 0.000 2.406 101 S HA -0.061 4.410 4.470 0.001 0.000 0.228 101 S C 1.748 176.397 174.600 0.082 0.000 1.020 101 S CA 1.148 59.431 58.200 0.137 0.000 0.965 101 S CB -0.740 62.526 63.200 0.109 0.000 0.798 101 S HN 0.386 nan 8.310 nan 0.000 0.488 102 V N 1.721 121.683 119.914 0.081 0.000 2.295 102 V HA -0.158 3.962 4.120 0.001 0.000 0.246 102 V C 2.921 179.068 176.094 0.088 0.000 1.049 102 V CA 2.223 64.568 62.300 0.074 0.000 1.024 102 V CB -1.163 30.743 31.823 0.137 0.000 0.648 102 V HN 0.520 nan 8.190 nan 0.000 0.447 103 Q N 0.486 120.375 119.800 0.148 0.000 2.077 103 Q HA -0.188 4.152 4.340 0.001 0.000 0.206 103 Q C 2.329 178.360 176.000 0.052 0.000 0.989 103 Q CA 2.657 58.546 55.803 0.143 0.000 0.853 103 Q CB -0.365 28.520 28.738 0.245 0.000 0.907 103 Q HN 0.649 nan 8.270 nan 0.000 0.418 104 S N -0.981 114.723 115.700 0.007 0.000 2.336 104 S HA 0.001 4.471 4.470 0.001 0.000 0.216 104 S C 2.017 176.555 174.600 -0.103 0.000 1.032 104 S CA 1.084 59.219 58.200 -0.109 0.000 0.973 104 S CB -0.224 62.823 63.200 -0.255 0.000 0.888 104 S HN 0.304 nan 8.310 nan 0.000 0.455 105 S N 0.682 116.357 115.700 -0.041 0.000 2.470 105 S HA 0.327 4.797 4.470 0.001 0.000 0.222 105 S C 1.434 175.984 174.600 -0.084 0.000 1.024 105 S CA 0.232 58.416 58.200 -0.026 0.000 0.931 105 S CB 0.028 63.278 63.200 0.083 0.000 0.791 105 S HN 0.285 nan 8.310 nan 0.000 0.513 106 L N 0.208 121.355 121.223 -0.126 0.000 2.638 106 L HA 0.267 4.608 4.340 0.001 0.000 0.232 106 L C 1.182 178.110 176.870 0.095 0.000 1.099 106 L CA 0.129 54.793 54.840 -0.293 0.000 0.883 106 L CB 0.288 41.988 42.059 -0.599 0.000 1.136 106 L HN 0.154 nan 8.230 nan 0.000 0.492 107 V N -1.496 118.474 119.914 0.094 0.000 3.134 107 V HA 0.044 4.165 4.120 0.001 0.000 0.222 107 V C 2.013 178.157 176.094 0.083 0.000 1.247 107 V CA 0.398 62.773 62.300 0.124 0.000 1.281 107 V CB 0.127 31.999 31.823 0.081 0.000 1.169 107 V HN 0.135 nan 8.190 nan 0.000 0.512 108 M N 0.146 119.773 119.600 0.045 0.000 2.117 108 M HA -0.138 4.342 4.480 0.001 0.000 0.262 108 M C 2.205 178.523 176.300 0.030 0.000 1.065 108 M CA 1.669 56.986 55.300 0.028 0.000 1.114 108 M CB -0.412 32.177 32.600 -0.018 0.000 1.361 108 M HN 0.237 nan 8.290 nan 0.000 0.408 109 V N 1.089 121.005 119.914 0.002 0.000 2.261 109 V HA -0.179 3.941 4.120 0.001 0.000 0.246 109 V C -0.560 175.516 176.094 -0.031 0.000 1.047 109 V CA 2.157 64.456 62.300 -0.002 0.000 1.015 109 V CB -1.979 29.830 31.823 -0.024 0.000 0.642 109 V HN 0.292 nan 8.190 nan 0.000 0.446 110 P HA -0.149 nan 4.420 nan 0.000 0.217 110 P C 1.839 179.155 177.300 0.028 0.000 1.150 110 P CA 1.668 64.809 63.100 0.068 0.000 0.832 110 P CB -0.029 31.973 31.700 0.503 0.000 0.787 111 I N -1.242 119.364 120.570 0.060 0.000 2.127 111 I HA -0.255 3.915 4.170 0.001 0.000 0.241 111 I C 2.553 178.662 176.117 -0.014 0.000 1.075 111 I CA 1.543 62.865 61.300 0.036 0.000 1.334 111 I CB -0.817 37.214 38.000 0.051 0.000 1.040 111 I HN -0.167 nan 8.210 nan 0.000 0.405 112 F N 1.648 121.504 119.950 -0.157 0.000 2.161 112 F HA -0.253 4.274 4.527 0.001 0.000 0.300 112 F C 2.354 178.036 175.800 -0.196 0.000 1.089 112 F CA 1.954 59.833 58.000 -0.203 0.000 1.282 112 F CB -0.042 38.855 39.000 -0.172 0.000 1.010 112 F HN -0.006 nan 8.300 nan 0.000 0.485 113 E N -1.291 118.718 120.200 -0.318 0.000 2.216 113 E HA 0.022 4.372 4.350 0.001 0.000 0.192 113 E C 1.251 177.610 176.600 -0.403 0.000 0.973 113 E CA 0.964 57.037 56.400 -0.545 0.000 0.851 113 E CB -0.067 29.124 29.700 -0.849 0.000 0.804 113 E HN 0.382 nan 8.360 nan 0.000 0.477 114 F N -1.299 118.674 119.950 0.039 0.000 2.728 114 F HA 0.423 4.950 4.527 0.001 0.000 0.314 114 F C 1.130 176.971 175.800 0.068 0.000 1.094 114 F CA -0.037 58.013 58.000 0.083 0.000 1.217 114 F CB -0.141 38.929 39.000 0.117 0.000 1.056 114 F HN -0.095 nan 8.300 nan 0.000 0.577 115 G N 0.456 109.335 108.800 0.132 0.000 2.562 115 G HA2 0.386 4.347 3.960 0.001 0.000 0.275 115 G HA3 0.386 4.347 3.960 0.001 0.000 0.275 115 G C -0.006 174.959 174.900 0.109 0.000 1.196 115 G CA -0.228 44.920 45.100 0.080 0.000 0.908 115 G HN 0.197 nan 8.290 nan 0.000 0.524 116 S N -0.357 115.390 115.700 0.079 0.000 2.592 116 S HA 0.141 4.612 4.470 0.001 0.000 0.271 116 S C 0.751 175.378 174.600 0.045 0.000 1.326 116 S CA -0.319 57.935 58.200 0.089 0.000 1.024 116 S CB 1.472 64.708 63.200 0.061 0.000 0.921 116 S HN 0.525 nan 8.310 nan 0.000 0.527 117 D N 1.834 122.267 120.400 0.055 0.000 2.190 117 D HA -0.143 4.498 4.640 0.001 0.000 0.200 117 D C 2.077 178.419 176.300 0.069 0.000 0.992 117 D CA 1.817 55.856 54.000 0.064 0.000 0.854 117 D CB -0.571 40.284 40.800 0.092 0.000 0.936 117 D HN 0.733 nan 8.370 nan 0.000 0.462 118 A N 0.790 123.645 122.820 0.059 0.000 1.872 118 A HA -0.190 4.130 4.320 0.001 0.000 0.214 118 A C 2.188 179.795 177.584 0.039 0.000 1.187 118 A CA 1.184 53.250 52.037 0.048 0.000 0.614 118 A CB -0.569 18.457 19.000 0.042 0.000 0.826 118 A HN 0.160 nan 8.150 nan 0.000 0.442 119 Q N -0.038 119.805 119.800 0.071 0.000 2.077 119 Q HA -0.217 4.124 4.340 0.001 0.000 0.206 119 Q C 2.100 178.189 176.000 0.148 0.000 0.989 119 Q CA 2.008 57.910 55.803 0.165 0.000 0.853 119 Q CB -0.227 28.617 28.738 0.178 0.000 0.907 119 Q HN 0.626 nan 8.270 nan 0.000 0.418 120 K N 0.604 121.008 120.400 0.006 0.000 2.032 120 K HA -0.209 4.111 4.320 0.001 0.000 0.209 120 K C 2.014 178.562 176.600 -0.086 0.000 1.048 120 K CA 1.543 57.722 56.287 -0.180 0.000 0.927 120 K CB -0.104 32.070 32.500 -0.543 0.000 0.712 120 K HN 0.220 nan 8.250 nan 0.000 0.441 121 E N 0.708 120.938 120.200 0.049 0.000 2.106 121 E HA -0.158 4.193 4.350 0.001 0.000 0.192 121 E C 1.999 178.619 176.600 0.034 0.000 0.984 121 E CA 1.038 57.522 56.400 0.140 0.000 0.806 121 E CB 0.140 29.924 29.700 0.139 0.000 0.750 121 E HN 0.172 nan 8.360 nan 0.000 0.458 122 K N -0.420 119.947 120.400 -0.056 0.000 2.025 122 K HA -0.151 4.170 4.320 0.001 0.000 0.207 122 K C 1.449 177.962 176.600 -0.146 0.000 1.049 122 K CA 1.365 57.530 56.287 -0.204 0.000 0.933 122 K CB 0.055 32.271 32.500 -0.473 0.000 0.714 122 K HN 0.132 nan 8.250 nan 0.000 0.438 123 Y N 0.307 120.721 120.300 0.191 0.000 2.396 123 Y HA 0.093 4.643 4.550 0.001 0.000 0.292 123 Y C 1.953 177.944 175.900 0.152 0.000 1.128 123 Y CA 0.183 58.447 58.100 0.273 0.000 1.194 123 Y CB -0.201 38.395 38.460 0.226 0.000 1.124 123 Y HN -0.087 nan 8.280 nan 0.000 0.543 124 L N 0.322 121.675 121.223 0.216 0.000 2.013 124 L HA -0.193 4.147 4.340 0.001 0.000 0.212 124 L C -0.519 176.412 176.870 0.102 0.000 1.073 124 L CA 1.657 56.577 54.840 0.134 0.000 0.753 124 L CB -1.813 40.286 42.059 0.068 0.000 0.890 124 L HN 0.186 nan 8.230 nan 0.000 0.432 125 P HA -0.156 nan 4.420 nan 0.000 0.217 125 P C 1.327 178.584 177.300 -0.073 0.000 1.150 125 P CA 1.346 64.447 63.100 0.003 0.000 0.832 125 P CB 0.005 31.692 31.700 -0.021 0.000 0.787 126 K N -0.692 119.615 120.400 -0.155 0.000 2.155 126 K HA 0.015 4.336 4.320 0.001 0.000 0.203 126 K C 2.052 178.629 176.600 -0.038 0.000 1.052 126 K CA 0.928 57.039 56.287 -0.294 0.000 0.948 126 K CB -0.596 31.330 32.500 -0.957 0.000 0.728 126 K HN 0.197 nan 8.250 nan 0.000 0.448 127 L N 0.654 121.947 121.223 0.116 0.000 2.046 127 L HA -0.164 4.177 4.340 0.001 0.000 0.208 127 L C 2.624 179.542 176.870 0.081 0.000 1.077 127 L CA 1.150 56.081 54.840 0.151 0.000 0.747 127 L CB -0.659 41.500 42.059 0.166 0.000 0.896 127 L HN 0.143 nan 8.230 nan 0.000 0.432 128 A N 0.278 123.120 122.820 0.037 0.000 1.908 128 A HA -0.235 4.085 4.320 0.001 0.000 0.218 128 A C 2.422 180.000 177.584 -0.009 0.000 1.181 128 A CA 2.418 54.456 52.037 0.002 0.000 0.627 128 A CB -1.008 17.985 19.000 -0.011 0.000 0.818 128 A HN 0.527 nan 8.150 nan 0.000 0.445 129 T N -4.429 110.114 114.554 -0.019 0.000 3.067 129 T HA 0.361 4.711 4.350 0.001 0.000 0.261 129 T C 1.451 176.158 174.700 0.013 0.000 1.110 129 T CA 1.166 63.250 62.100 -0.026 0.000 1.113 129 T CB -0.132 68.702 68.868 -0.056 0.000 0.917 129 T HN 1.797 nan 8.240 nan 0.000 0.499 130 G N 1.362 110.195 108.800 0.056 0.000 2.136 130 G HA2 -0.318 3.642 3.960 0.001 0.000 0.242 130 G HA3 -0.318 3.642 3.960 0.001 0.000 0.242 130 G C 0.480 175.444 174.900 0.106 0.000 0.989 130 G CA 0.631 45.810 45.100 0.133 0.000 0.682 130 G HN 0.649 nan 8.290 nan 0.000 0.522 131 E N -1.355 118.867 120.200 0.037 0.000 2.106 131 E HA -0.032 4.319 4.350 0.001 0.000 0.192 131 E C 0.463 177.179 176.600 0.195 0.000 0.984 131 E CA 0.577 56.988 56.400 0.018 0.000 0.806 131 E CB 0.073 29.677 29.700 -0.161 0.000 0.750 131 E HN 0.463 nan 8.360 nan 0.000 0.458 132 W N 0.877 122.179 121.300 0.004 0.000 2.478 132 W HA 0.453 5.113 4.660 0.001 0.000 0.318 132 W C -0.444 176.013 176.519 -0.102 0.000 1.062 132 W CA -1.211 56.121 57.345 -0.021 0.000 1.210 132 W CB 0.510 29.997 29.460 0.044 0.000 1.325 132 W HN -0.044 nan 8.180 nan 0.000 0.496 133 I N 3.315 123.873 120.570 -0.020 0.000 2.331 133 I HA 0.458 4.629 4.170 0.001 0.000 0.292 133 I C 0.971 176.922 176.117 -0.276 0.000 0.998 133 I CA -0.207 60.885 61.300 -0.347 0.000 1.267 133 I CB 0.863 38.478 38.000 -0.642 0.000 1.386 133 I HN 0.408 nan 8.210 nan 0.000 0.476 134 G N 4.710 113.381 108.800 -0.215 0.000 2.509 134 G HA2 0.660 4.620 3.960 0.001 0.000 0.328 134 G HA3 0.660 4.620 3.960 0.001 0.000 0.328 134 G C -0.926 173.862 174.900 -0.187 0.000 1.194 134 G CA -0.454 44.538 45.100 -0.180 0.000 0.967 134 G HN 0.858 nan 8.290 nan 0.000 0.488 135 C N -1.420 117.764 119.300 -0.193 0.000 3.318 135 C HA 0.867 5.328 4.460 0.001 0.000 0.322 135 C C -1.393 173.678 174.990 0.136 0.000 1.398 135 C CA -1.485 57.498 59.018 -0.058 0.000 1.339 135 C CB 0.926 28.544 27.740 -0.202 0.000 1.668 135 C HN 0.843 nan 8.230 nan 0.000 0.462 136 F N 1.203 121.195 119.950 0.070 0.000 2.579 136 F HA 0.647 5.175 4.527 0.001 0.000 0.325 136 F C 0.195 176.139 175.800 0.240 0.000 1.162 136 F CA -0.005 58.105 58.000 0.184 0.000 0.946 136 F CB 1.489 40.618 39.000 0.215 0.000 1.211 136 F HN 1.108 nan 8.300 nan 0.000 0.447 137 G N 6.600 115.311 108.800 -0.147 0.000 3.288 137 G HA2 0.405 4.365 3.960 0.001 0.000 0.337 137 G HA3 0.405 4.365 3.960 0.001 0.000 0.337 137 G C -0.349 174.502 174.900 -0.083 0.000 1.142 137 G CA -0.218 44.848 45.100 -0.057 0.000 1.304 137 G HN 0.722 nan 8.290 nan 0.000 0.475 138 L N 1.863 122.996 121.223 -0.149 0.000 2.541 138 L HA 0.411 4.751 4.340 0.001 0.000 0.187 138 L C 1.347 178.252 176.870 0.058 0.000 1.098 138 L CA 0.877 55.681 54.840 -0.060 0.000 0.846 138 L CB -0.106 41.843 42.059 -0.184 0.000 1.151 138 L HN 0.189 nan 8.230 nan 0.000 0.492 139 T N 2.064 116.696 114.554 0.129 0.000 2.902 139 T HA 0.173 4.524 4.350 0.001 0.000 0.301 139 T C -0.170 174.618 174.700 0.147 0.000 1.012 139 T CA 0.131 62.330 62.100 0.165 0.000 1.151 139 T CB 0.202 69.207 68.868 0.228 0.000 0.946 139 T HN 0.267 nan 8.240 nan 0.000 0.542 140 E N 3.192 123.490 120.200 0.163 0.000 2.281 140 E HA 0.252 4.602 4.350 0.001 0.000 0.262 140 E C -1.657 175.053 176.600 0.184 0.000 0.933 140 E CA -2.443 54.063 56.400 0.177 0.000 0.809 140 E CB 1.377 31.217 29.700 0.234 0.000 1.242 140 E HN 0.214 nan 8.360 nan 0.000 0.418 141 P HA -0.171 nan 4.420 nan 0.000 0.216 141 P C 0.160 177.465 177.300 0.008 0.000 1.154 141 P CA 1.732 64.855 63.100 0.038 0.000 0.865 141 P CB 0.220 31.921 31.700 0.002 0.000 0.789 142 N N -4.201 114.445 118.700 -0.091 0.000 2.273 142 N HA 0.020 4.760 4.740 0.001 0.000 0.192 142 N C 0.567 175.929 175.510 -0.245 0.000 1.132 142 N CA -0.132 52.786 53.050 -0.220 0.000 0.887 142 N CB 0.144 38.431 38.487 -0.333 0.000 1.048 142 N HN 0.246 nan 8.380 nan 0.000 0.490 149 S N 2.805 118.496 115.700 -0.015 0.000 2.964 149 S HA 0.328 4.799 4.470 0.001 0.000 0.356 149 S C 0.758 175.287 174.600 -0.117 0.000 1.118 149 S CA 0.543 58.724 58.200 -0.032 0.000 1.581 149 S CB -1.192 62.010 63.200 0.003 0.000 1.227 149 S HN 0.739 nan 8.310 nan 0.000 0.594 150 M N 2.283 121.787 119.600 -0.160 0.000 2.513 150 M HA 0.599 5.079 4.480 0.001 0.000 0.291 150 M C 0.975 177.110 176.300 -0.276 0.000 1.190 150 M CA -1.002 54.099 55.300 -0.332 0.000 0.960 150 M CB 1.334 33.825 32.600 -0.181 0.000 1.517 150 M HN 0.284 nan 8.290 nan 0.000 0.499 151 V N -3.426 116.298 119.914 -0.316 0.000 3.455 151 V HA 0.153 4.273 4.120 0.001 0.000 0.250 151 V C 0.792 176.842 176.094 -0.074 0.000 1.230 151 V CA 0.173 62.393 62.300 -0.133 0.000 1.105 151 V CB -0.034 31.760 31.823 -0.049 0.000 0.850 151 V HN 0.915 nan 8.190 nan 0.000 0.461 152 T N 3.793 118.301 114.554 -0.077 0.000 2.822 152 T HA 0.211 4.562 4.350 0.001 0.000 0.288 152 T C -0.048 174.615 174.700 -0.061 0.000 0.991 152 T CA 0.822 62.886 62.100 -0.059 0.000 1.176 152 T CB -0.136 68.701 68.868 -0.051 0.000 0.951 152 T HN 0.741 nan 8.240 nan 0.000 0.526 153 R N 1.619 122.074 120.500 -0.076 0.000 2.686 153 R HA 0.669 5.009 4.340 0.001 0.000 0.286 153 R C -1.308 174.912 176.300 -0.134 0.000 0.969 153 R CA -0.817 55.240 56.100 -0.072 0.000 0.898 153 R CB 1.322 31.601 30.300 -0.035 0.000 1.183 153 R HN 0.630 nan 8.270 nan 0.000 0.456 154 A N 4.204 126.937 122.820 -0.145 0.000 2.288 154 A HA 0.561 4.882 4.320 0.001 0.000 0.320 154 A C -0.760 176.837 177.584 0.022 0.000 1.217 154 A CA -0.914 51.021 52.037 -0.170 0.000 0.840 154 A CB 0.600 19.352 19.000 -0.414 0.000 1.179 154 A HN 0.879 nan 8.150 nan 0.000 0.504 155 R N 1.689 122.220 120.500 0.051 0.000 2.670 155 R HA 0.620 4.961 4.340 0.001 0.000 0.289 155 R C -0.825 175.540 176.300 0.109 0.000 0.965 155 R CA -0.895 55.255 56.100 0.084 0.000 0.899 155 R CB 1.509 31.830 30.300 0.035 0.000 1.173 155 R HN 0.459 nan 8.270 nan 0.000 0.456 156 K N 2.051 122.499 120.400 0.080 0.000 2.378 156 K HA 0.098 4.418 4.320 0.001 0.000 0.288 156 K C 0.118 176.689 176.600 -0.049 0.000 1.057 156 K CA -0.217 56.049 56.287 -0.034 0.000 0.971 156 K CB 0.678 33.150 32.500 -0.046 0.000 0.975 156 K HN 0.559 nan 8.250 nan 0.000 0.475 157 V N 1.460 121.333 119.914 -0.068 0.000 3.284 157 V HA 0.639 4.760 4.120 0.001 0.000 0.309 157 V C -2.408 173.648 176.094 -0.063 0.000 1.190 157 V CA -2.368 59.909 62.300 -0.038 0.000 1.038 157 V CB 1.300 33.129 31.823 0.009 0.000 1.198 157 V HN 0.567 nan 8.190 nan 0.000 0.465 158 P HA 0.274 nan 4.420 nan 0.000 0.264 158 P C 0.502 177.799 177.300 -0.004 0.000 1.537 158 P CA 1.514 64.581 63.100 -0.055 0.000 1.189 158 P CB -0.198 31.455 31.700 -0.078 0.000 1.687 159 G N 2.006 110.807 108.800 0.002 0.000 2.401 159 G HA2 -0.038 3.923 3.960 0.001 0.000 0.283 159 G HA3 -0.038 3.923 3.960 0.001 0.000 0.283 159 G C 0.553 175.630 174.900 0.294 0.000 1.117 159 G CA -0.229 44.916 45.100 0.075 0.000 1.051 159 G HN 0.704 nan 8.290 nan 0.000 0.510 160 G N -1.310 107.578 108.800 0.146 0.000 3.584 160 G HA2 0.472 4.432 3.960 0.001 0.000 0.201 160 G HA3 0.472 4.432 3.960 0.001 0.000 0.201 160 G C -0.121 174.411 174.900 -0.612 0.000 1.176 160 G CA 0.106 45.012 45.100 -0.322 0.000 0.902 160 G HN 0.646 nan 8.290 nan 0.000 0.678 161 Y N 0.341 120.717 120.300 0.126 0.000 2.492 161 Y HA 0.729 5.280 4.550 0.001 0.000 0.346 161 Y C -0.257 175.656 175.900 0.022 0.000 0.997 161 Y CA -1.190 56.928 58.100 0.031 0.000 1.025 161 Y CB 2.443 40.888 38.460 -0.026 0.000 1.263 161 Y HN -0.040 nan 8.280 nan 0.000 0.454 162 S N 3.184 118.966 115.700 0.137 0.000 2.596 162 S HA 0.700 5.170 4.470 0.001 0.000 0.318 162 S C -1.523 173.039 174.600 -0.062 0.000 1.097 162 S CA -0.432 57.802 58.200 0.057 0.000 1.080 162 S CB 0.087 63.326 63.200 0.066 0.000 0.991 162 S HN 0.521 nan 8.310 nan 0.000 0.471 163 L N 3.901 125.042 121.223 -0.135 0.000 2.295 163 L HA 0.622 4.962 4.340 0.001 0.000 0.285 163 L C 0.071 176.861 176.870 -0.132 0.000 1.035 163 L CA 0.131 54.846 54.840 -0.210 0.000 0.806 163 L CB 1.950 43.802 42.059 -0.346 0.000 1.214 163 L HN 0.565 nan 8.230 nan 0.000 0.426 164 S N 1.092 116.724 115.700 -0.113 0.000 2.557 164 S HA 0.946 5.416 4.470 0.001 0.000 0.291 164 S C -0.228 174.330 174.600 -0.071 0.000 1.116 164 S CA -0.256 57.897 58.200 -0.079 0.000 0.992 164 S CB 1.829 64.997 63.200 -0.053 0.000 1.028 164 S HN 0.981 nan 8.310 nan 0.000 0.484 165 G N 1.415 110.180 108.800 -0.058 0.000 2.359 165 G HA2 0.411 4.371 3.960 0.001 0.000 0.293 165 G HA3 0.411 4.371 3.960 0.001 0.000 0.293 165 G C -1.603 173.277 174.900 -0.032 0.000 1.300 165 G CA -0.620 44.457 45.100 -0.039 0.000 0.888 165 G HN 0.659 nan 8.290 nan 0.000 0.541 166 S N -0.151 115.542 115.700 -0.011 0.000 2.542 166 S HA 0.804 5.274 4.470 0.001 0.000 0.293 166 S C -0.848 173.761 174.600 0.015 0.000 1.089 166 S CA -0.811 57.385 58.200 -0.006 0.000 0.961 166 S CB 1.847 65.042 63.200 -0.009 0.000 1.062 166 S HN 0.569 nan 8.310 nan 0.000 0.483 167 K N 1.841 122.250 120.400 0.015 0.000 2.378 167 K HA 0.558 4.878 4.320 0.001 0.000 0.252 167 K C -1.021 175.596 176.600 0.029 0.000 0.931 167 K CA -0.710 55.603 56.287 0.043 0.000 0.794 167 K CB 1.994 34.527 32.500 0.056 0.000 1.181 167 K HN 0.521 nan 8.250 nan 0.000 0.425 168 M N 0.845 120.473 119.600 0.047 0.000 2.598 168 M HA 0.361 4.841 4.480 0.001 0.000 0.317 168 M C -1.239 175.133 176.300 0.120 0.000 1.179 168 M CA -0.122 55.155 55.300 -0.039 0.000 0.936 168 M CB 0.833 33.370 32.600 -0.105 0.000 1.713 168 M HN 0.592 nan 8.290 nan 0.000 0.460 169 W N 4.606 125.941 121.300 0.058 0.000 6.190 169 W HA -0.159 4.502 4.660 0.001 0.000 0.423 169 W C -1.000 175.613 176.519 0.158 0.000 1.680 169 W CA -0.274 57.118 57.345 0.079 0.000 1.036 169 W CB -1.394 28.076 29.460 0.016 0.000 2.908 169 W HN 0.303 nan 8.180 nan 0.000 1.429 170 I N 1.626 122.379 120.570 0.305 0.000 2.359 170 I HA 0.146 4.316 4.170 0.001 0.000 0.284 170 I C 0.986 177.242 176.117 0.233 0.000 1.018 170 I CA -0.432 61.029 61.300 0.268 0.000 1.173 170 I CB 0.551 38.663 38.000 0.187 0.000 1.326 170 I HN 0.043 nan 8.210 nan 0.000 0.462 171 T N 5.054 119.766 114.554 0.263 0.000 2.901 171 T HA 0.162 4.513 4.350 0.001 0.000 0.301 171 T C 1.016 175.810 174.700 0.158 0.000 1.012 171 T CA 0.468 62.697 62.100 0.214 0.000 1.135 171 T CB 0.349 69.346 68.868 0.214 0.000 0.936 171 T HN 0.673 nan 8.240 nan 0.000 0.539 172 N N 1.134 119.916 118.700 0.136 0.000 2.946 172 N HA -0.249 4.492 4.740 0.001 0.000 0.207 172 N C 1.469 176.954 175.510 -0.042 0.000 0.906 172 N CA 1.902 54.992 53.050 0.067 0.000 1.035 172 N CB -2.001 36.517 38.487 0.051 0.000 0.998 172 N HN 0.853 nan 8.380 nan 0.000 0.595 173 S N 0.684 116.373 115.700 -0.019 0.000 2.368 173 S HA -0.099 4.372 4.470 0.001 0.000 0.226 173 S C -0.939 173.664 174.600 0.005 0.000 1.044 173 S CA 1.841 60.012 58.200 -0.047 0.000 1.062 173 S CB -1.196 62.051 63.200 0.080 0.000 0.931 173 S HN 0.277 nan 8.310 nan 0.000 0.440 174 P HA 0.149 nan 4.420 nan 0.000 0.239 174 P C 0.958 178.281 177.300 0.039 0.000 1.184 174 P CA 0.752 63.884 63.100 0.053 0.000 0.760 174 P CB -0.374 31.348 31.700 0.038 0.000 0.884 175 I N -7.093 113.469 120.570 -0.013 0.000 4.310 175 I HA 0.473 4.644 4.170 0.001 0.000 0.328 175 I C 0.366 176.399 176.117 -0.140 0.000 1.406 175 I CA -0.831 60.444 61.300 -0.041 0.000 1.174 175 I CB 0.200 38.189 38.000 -0.020 0.000 1.279 175 I HN -0.315 nan 8.210 nan 0.000 0.471 176 A N 1.368 124.049 122.820 -0.232 0.000 2.425 176 A HA 0.262 4.583 4.320 0.001 0.000 0.249 176 A C 0.523 177.945 177.584 -0.271 0.000 1.084 176 A CA 0.004 51.775 52.037 -0.443 0.000 0.781 176 A CB 0.250 18.662 19.000 -0.981 0.000 1.019 176 A HN 0.388 nan 8.150 nan 0.000 0.490 177 D N 0.527 120.767 120.400 -0.265 0.000 2.323 177 D HA 0.109 4.750 4.640 0.001 0.000 0.218 177 D C 0.054 176.230 176.300 -0.207 0.000 0.973 177 D CA 1.176 55.035 54.000 -0.233 0.000 0.890 177 D CB 0.406 40.965 40.800 -0.401 0.000 1.011 177 D HN 0.284 nan 8.370 nan 0.000 0.499 178 V N 1.013 120.765 119.914 -0.271 0.000 2.680 178 V HA 0.402 4.522 4.120 0.001 0.000 0.309 178 V C -0.875 175.056 176.094 -0.271 0.000 1.052 178 V CA -0.731 61.453 62.300 -0.193 0.000 0.908 178 V CB 1.996 33.676 31.823 -0.237 0.000 1.001 178 V HN -0.102 nan 8.190 nan 0.000 0.431 179 F N 2.334 122.171 119.950 -0.189 0.000 2.499 179 F HA 0.555 5.082 4.527 0.001 0.000 0.333 179 F C -0.164 175.549 175.800 -0.146 0.000 1.138 179 F CA -0.936 56.991 58.000 -0.121 0.000 0.945 179 F CB 2.112 41.043 39.000 -0.115 0.000 1.181 179 F HN 0.174 nan 8.300 nan 0.000 0.435 180 V N 5.052 124.987 119.914 0.036 0.000 2.304 180 V HA 0.339 4.459 4.120 0.001 0.000 0.269 180 V C -0.186 175.786 176.094 -0.203 0.000 1.036 180 V CA -0.642 61.609 62.300 -0.081 0.000 0.840 180 V CB 0.897 32.739 31.823 0.032 0.000 1.036 180 V HN 0.485 nan 8.190 nan 0.000 0.466 181 V N 4.129 123.886 119.914 -0.261 0.000 2.472 181 V HA 0.462 4.582 4.120 0.001 0.000 0.290 181 V C -0.696 175.176 176.094 -0.369 0.000 1.037 181 V CA -0.749 61.420 62.300 -0.218 0.000 0.908 181 V CB 1.798 33.572 31.823 -0.081 0.000 0.985 181 V HN 0.876 nan 8.190 nan 0.000 0.454 182 W N 3.233 124.515 121.300 -0.030 0.000 2.349 182 W HA 0.756 5.417 4.660 0.001 0.000 0.309 182 W C 0.133 176.676 176.519 0.040 0.000 1.083 182 W CA -0.170 57.186 57.345 0.019 0.000 1.224 182 W CB 1.455 30.872 29.460 -0.071 0.000 1.256 182 W HN 0.702 nan 8.180 nan 0.000 0.461 183 A N 3.062 126.069 122.820 0.313 0.000 2.469 183 A HA 0.729 5.049 4.320 0.001 0.000 0.299 183 A C -0.821 176.882 177.584 0.197 0.000 1.098 183 A CA -1.190 50.941 52.037 0.156 0.000 0.737 183 A CB 1.329 20.282 19.000 -0.079 0.000 1.312 183 A HN 0.557 nan 8.150 nan 0.000 0.414 184 K N -0.144 120.308 120.400 0.088 0.000 2.270 184 K HA 0.532 4.853 4.320 0.001 0.000 0.276 184 K C -1.159 175.492 176.600 0.084 0.000 1.023 184 K CA -0.106 56.228 56.287 0.079 0.000 0.955 184 K CB 1.100 33.619 32.500 0.032 0.000 0.975 184 K HN 0.550 nan 8.250 nan 0.000 0.471 185 L N 2.238 123.521 121.223 0.101 0.000 2.513 185 L HA 0.374 4.714 4.340 0.001 0.000 0.261 185 L C -1.617 175.306 176.870 0.089 0.000 0.945 185 L CA -0.354 54.555 54.840 0.114 0.000 0.848 185 L CB 1.811 43.986 42.059 0.193 0.000 1.334 185 L HN 0.808 nan 8.230 nan 0.000 0.407 192 E N 1.633 121.854 120.200 0.035 0.000 2.413 192 E HA 0.512 4.862 4.350 0.001 0.000 0.277 192 E C -0.354 176.279 176.600 0.055 0.000 0.958 192 E CA -0.901 55.518 56.400 0.031 0.000 0.779 192 E CB 2.140 31.850 29.700 0.016 0.000 1.278 192 E HN 0.299 nan 8.360 nan 0.000 0.456 193 I N 2.557 123.163 120.570 0.060 0.000 2.496 193 I HA 0.232 4.402 4.170 0.001 0.000 0.285 193 I C 0.065 176.262 176.117 0.133 0.000 1.080 193 I CA -0.049 61.325 61.300 0.123 0.000 1.404 193 I CB 0.129 38.199 38.000 0.116 0.000 1.403 193 I HN 0.154 nan 8.210 nan 0.000 0.539 194 R N 4.237 124.833 120.500 0.160 0.000 2.771 194 R HA 0.598 4.938 4.340 0.001 0.000 0.274 194 R C -0.451 175.682 176.300 -0.279 0.000 0.987 194 R CA -0.973 55.059 56.100 -0.112 0.000 0.908 194 R CB 1.755 31.818 30.300 -0.396 0.000 1.213 194 R HN 0.746 nan 8.270 nan 0.000 0.468 195 G N 0.989 109.331 108.800 -0.763 0.000 2.371 195 G HA2 0.687 4.648 3.960 0.001 0.000 0.326 195 G HA3 0.687 4.648 3.960 0.001 0.000 0.326 195 G C -1.157 173.084 174.900 -1.099 0.000 1.127 195 G CA -0.327 44.055 45.100 -1.198 0.000 0.885 195 G HN 0.262 nan 8.290 nan 0.000 0.477 196 F N 0.518 120.135 119.950 -0.555 0.000 2.547 196 F HA 0.456 4.984 4.527 0.001 0.000 0.316 196 F C 0.168 175.771 175.800 -0.327 0.000 1.121 196 F CA -0.808 56.961 58.000 -0.384 0.000 0.911 196 F CB 2.375 41.171 39.000 -0.340 0.000 1.179 196 F HN 0.180 nan 8.300 nan 0.000 0.443 197 I N 4.743 125.242 120.570 -0.118 0.000 2.315 197 I HA 0.356 4.526 4.170 0.001 0.000 0.291 197 I C -0.820 175.230 176.117 -0.112 0.000 1.006 197 I CA -0.405 60.795 61.300 -0.166 0.000 1.265 197 I CB 0.793 38.633 38.000 -0.268 0.000 1.387 197 I HN 0.358 nan 8.210 nan 0.000 0.475 198 L N 6.566 127.732 121.223 -0.096 0.000 2.303 198 L HA 0.583 4.923 4.340 0.001 0.000 0.266 198 L C -0.202 176.639 176.870 -0.049 0.000 1.011 198 L CA -0.501 54.271 54.840 -0.112 0.000 0.818 198 L CB 1.446 43.381 42.059 -0.207 0.000 1.326 198 L HN 0.502 nan 8.230 nan 0.000 0.435 199 E N -0.324 119.825 120.200 -0.085 0.000 2.336 199 E HA 0.359 4.709 4.350 0.001 0.000 0.267 199 E C -1.266 175.288 176.600 -0.077 0.000 0.906 199 E CA -1.206 55.173 56.400 -0.036 0.000 0.781 199 E CB 2.130 31.778 29.700 -0.087 0.000 1.261 199 E HN 0.310 nan 8.360 nan 0.000 0.436 200 K N 0.359 120.783 120.400 0.039 0.000 2.491 200 K HA 0.054 4.374 4.320 0.001 0.000 0.279 200 K C 0.628 177.193 176.600 -0.059 0.000 1.026 200 K CA 1.467 57.771 56.287 0.028 0.000 1.070 200 K CB -0.056 32.490 32.500 0.077 0.000 0.887 200 K HN 0.767 nan 8.250 nan 0.000 0.481 201 G N 2.885 111.632 108.800 -0.087 0.000 2.339 201 G HA2 -0.251 3.710 3.960 0.001 0.000 0.209 201 G HA3 -0.251 3.710 3.960 0.001 0.000 0.209 201 G C 0.075 174.930 174.900 -0.075 0.000 1.015 201 G CA -0.209 44.853 45.100 -0.062 0.000 0.635 201 G HN 0.711 nan 8.290 nan 0.000 0.499 202 C N 3.271 122.504 119.300 -0.111 0.000 2.419 202 C HA 0.355 4.816 4.460 0.001 0.000 0.398 202 C C 1.352 176.290 174.990 -0.086 0.000 1.498 202 C CA 0.125 59.088 59.018 -0.092 0.000 1.494 202 C CB -0.459 27.196 27.740 -0.141 0.000 2.485 202 C HN 0.530 nan 8.230 nan 0.000 0.608 203 K N 2.215 122.594 120.400 -0.033 0.000 2.524 203 K HA 0.240 4.561 4.320 0.001 0.000 0.279 203 K C 1.311 177.886 176.600 -0.042 0.000 0.993 203 K CA 1.267 57.536 56.287 -0.030 0.000 1.030 203 K CB 0.053 32.551 32.500 -0.003 0.000 0.891 203 K HN 1.125 nan 8.250 nan 0.000 0.488 204 G N 2.731 111.498 108.800 -0.055 0.000 2.176 204 G HA2 -0.257 3.703 3.960 0.001 0.000 0.253 204 G HA3 -0.257 3.703 3.960 0.001 0.000 0.253 204 G C -0.404 174.437 174.900 -0.099 0.000 0.979 204 G CA 0.307 45.369 45.100 -0.062 0.000 0.641 204 G HN 0.584 nan 8.290 nan 0.000 0.530 205 L N 1.973 123.113 121.223 -0.138 0.000 2.305 205 L HA 0.851 5.192 4.340 0.001 0.000 0.284 205 L C 0.012 176.772 176.870 -0.185 0.000 1.013 205 L CA -0.172 54.542 54.840 -0.210 0.000 0.819 205 L CB 1.978 43.827 42.059 -0.349 0.000 1.227 205 L HN 0.561 nan 8.230 nan 0.000 0.417 206 S N 3.577 119.193 115.700 -0.141 0.000 2.521 206 S HA 0.909 5.380 4.470 0.001 0.000 0.295 206 S C -0.379 174.201 174.600 -0.033 0.000 1.098 206 S CA -0.278 57.875 58.200 -0.078 0.000 0.999 206 S CB 1.832 65.003 63.200 -0.049 0.000 1.034 206 S HN 1.061 nan 8.310 nan 0.000 0.483 207 A N 3.111 125.949 122.820 0.031 0.000 2.978 207 A HA 0.682 5.002 4.320 0.001 0.000 0.341 207 A C -2.815 174.804 177.584 0.059 0.000 1.105 207 A CA -1.471 50.629 52.037 0.104 0.000 0.819 207 A CB 0.010 19.184 19.000 0.289 0.000 1.080 207 A HN 0.608 nan 8.150 nan 0.000 0.476 208 P HA 0.513 nan 4.420 nan 0.000 0.281 208 P C 0.023 177.296 177.300 -0.045 0.000 1.249 208 P CA -0.159 62.940 63.100 -0.002 0.000 0.810 208 P CB 1.476 33.170 31.700 -0.011 0.000 1.008 209 A N 2.711 125.482 122.820 -0.081 0.000 2.322 209 A HA 0.518 4.838 4.320 0.001 0.000 0.269 209 A C 0.083 177.447 177.584 -0.367 0.000 1.094 209 A CA -0.577 51.322 52.037 -0.231 0.000 0.807 209 A CB -0.279 18.526 19.000 -0.326 0.000 1.047 209 A HN 0.502 nan 8.150 nan 0.000 0.487 210 I N 1.830 122.184 120.570 -0.361 0.000 2.355 210 I HA 0.312 4.483 4.170 0.001 0.000 0.288 210 I C -0.381 175.570 176.117 -0.276 0.000 0.999 210 I CA -0.153 60.976 61.300 -0.284 0.000 1.163 210 I CB 1.066 38.934 38.000 -0.219 0.000 1.316 210 I HN 0.737 nan 8.210 nan 0.000 0.454 211 H N 3.220 122.310 119.070 0.033 0.000 2.595 211 H HA 0.628 5.185 4.556 0.001 0.000 0.346 211 H C 0.781 176.142 175.328 0.054 0.000 1.181 211 H CA -0.280 55.794 56.048 0.043 0.000 1.242 211 H CB 1.612 31.389 29.762 0.025 0.000 1.652 211 H HN 0.786 nan 8.280 nan 0.000 0.548 212 G N 1.174 110.080 108.800 0.176 0.000 2.212 212 G HA2 -0.269 3.691 3.960 0.001 0.000 0.255 212 G HA3 -0.269 3.691 3.960 0.001 0.000 0.255 212 G C -0.269 174.686 174.900 0.091 0.000 1.062 212 G CA -0.338 44.823 45.100 0.102 0.000 0.815 212 G HN 0.477 nan 8.290 nan 0.000 0.497 213 K N -0.546 119.903 120.400 0.081 0.000 2.237 213 K HA 0.453 4.773 4.320 0.001 0.000 0.270 213 K C 1.559 178.157 176.600 -0.003 0.000 1.015 213 K CA -0.331 55.999 56.287 0.071 0.000 0.949 213 K CB 1.717 34.263 32.500 0.077 0.000 0.976 213 K HN 0.001 nan 8.250 nan 0.000 0.472 214 V N 1.531 121.451 119.914 0.011 0.000 2.283 214 V HA -0.081 4.039 4.120 0.001 0.000 0.243 214 V C 1.124 177.243 176.094 0.042 0.000 1.039 214 V CA 1.895 64.204 62.300 0.016 0.000 1.016 214 V CB -0.119 31.719 31.823 0.026 0.000 0.650 214 V HN 0.969 nan 8.190 nan 0.000 0.449 215 G N -2.366 106.464 108.800 0.050 0.000 2.788 215 G HA2 0.529 4.489 3.960 0.001 0.000 0.293 215 G HA3 0.529 4.489 3.960 0.001 0.000 0.293 215 G C -0.183 174.768 174.900 0.085 0.000 1.305 215 G CA -0.710 44.465 45.100 0.126 0.000 1.005 215 G HN 0.218 nan 8.290 nan 0.000 0.496 216 L N -1.080 120.227 121.223 0.140 0.000 3.976 216 L HA -0.237 4.104 4.340 0.001 0.000 0.418 216 L C 2.158 179.052 176.870 0.039 0.000 1.177 216 L CA 0.214 55.107 54.840 0.089 0.000 0.968 216 L CB -0.794 41.312 42.059 0.077 0.000 1.933 216 L HN 0.648 nan 8.230 nan 0.000 0.976 217 R N 0.102 120.572 120.500 -0.050 0.000 2.237 217 R HA -0.041 4.300 4.340 0.001 0.000 0.219 217 R C 2.109 178.329 176.300 -0.133 0.000 1.080 217 R CA 1.144 57.093 56.100 -0.251 0.000 0.995 217 R CB -0.072 29.722 30.300 -0.843 0.000 0.875 217 R HN 0.579 nan 8.270 nan 0.000 0.462 218 A N 0.852 123.654 122.820 -0.031 0.000 2.178 218 A HA 0.012 4.332 4.320 0.001 0.000 0.211 218 A C 0.832 178.415 177.584 -0.002 0.000 1.157 218 A CA 0.184 52.187 52.037 -0.058 0.000 0.780 218 A CB 0.190 19.010 19.000 -0.301 0.000 0.828 218 A HN 0.247 nan 8.150 nan 0.000 0.476 219 S N -0.172 115.544 115.700 0.027 0.000 2.442 219 S HA 0.598 5.069 4.470 0.001 0.000 0.297 219 S C -0.266 174.406 174.600 0.120 0.000 1.131 219 S CA -0.660 57.603 58.200 0.105 0.000 1.092 219 S CB 0.920 64.186 63.200 0.111 0.000 0.998 219 S HN 0.402 nan 8.310 nan 0.000 0.478 220 I N 3.730 124.388 120.570 0.147 0.000 2.533 220 I HA 0.290 4.460 4.170 0.001 0.000 0.284 220 I C -0.397 175.796 176.117 0.126 0.000 1.109 220 I CA 0.757 62.131 61.300 0.124 0.000 1.412 220 I CB 0.485 38.562 38.000 0.128 0.000 1.396 220 I HN 0.790 nan 8.210 nan 0.000 0.543 221 T N 5.303 119.919 114.554 0.104 0.000 2.907 221 T HA 0.845 5.195 4.350 0.001 0.000 0.292 221 T C -0.131 174.600 174.700 0.052 0.000 1.043 221 T CA -0.507 61.675 62.100 0.138 0.000 1.003 221 T CB 1.789 70.808 68.868 0.252 0.000 1.084 221 T HN 0.883 nan 8.240 nan 0.000 0.483 222 G N 0.566 109.400 108.800 0.056 0.000 2.619 222 G HA2 0.685 4.646 3.960 0.001 0.000 0.305 222 G HA3 0.685 4.646 3.960 0.001 0.000 0.305 222 G C -1.739 173.152 174.900 -0.014 0.000 1.330 222 G CA -0.921 44.168 45.100 -0.019 0.000 0.789 222 G HN 0.805 nan 8.290 nan 0.000 0.487 223 E N -1.459 118.721 120.200 -0.033 0.000 2.316 223 E HA 0.731 5.082 4.350 0.001 0.000 0.258 223 E C -1.212 175.412 176.600 0.041 0.000 0.952 223 E CA -0.993 55.394 56.400 -0.022 0.000 0.818 223 E CB 2.553 32.199 29.700 -0.090 0.000 1.260 223 E HN 0.333 nan 8.360 nan 0.000 0.416 224 I N 1.237 121.834 120.570 0.045 0.000 2.410 224 I HA 0.247 4.417 4.170 0.001 0.000 0.286 224 I C -1.040 175.073 176.117 -0.008 0.000 1.009 224 I CA -1.110 60.222 61.300 0.053 0.000 1.111 224 I CB 1.987 40.050 38.000 0.105 0.000 1.262 224 I HN 0.276 nan 8.210 nan 0.000 0.443 225 V N 7.411 127.304 119.914 -0.035 0.000 2.357 225 V HA 0.409 4.530 4.120 0.001 0.000 0.284 225 V C -0.049 175.999 176.094 -0.077 0.000 1.018 225 V CA -0.509 61.761 62.300 -0.050 0.000 0.841 225 V CB 1.520 33.316 31.823 -0.045 0.000 0.991 225 V HN 0.486 nan 8.190 nan 0.000 0.437 226 L N 4.226 125.402 121.223 -0.078 0.000 2.283 226 L HA 0.497 4.837 4.340 0.001 0.000 0.281 226 L C -0.440 176.385 176.870 -0.076 0.000 1.033 226 L CA -0.283 54.498 54.840 -0.098 0.000 0.848 226 L CB 1.297 43.285 42.059 -0.118 0.000 1.226 226 L HN 0.561 nan 8.230 nan 0.000 0.429 227 D N 4.355 124.715 120.400 -0.068 0.000 2.485 227 D HA 0.103 4.744 4.640 0.001 0.000 0.221 227 D C 0.260 176.533 176.300 -0.044 0.000 1.112 227 D CA -0.312 53.657 54.000 -0.050 0.000 0.911 227 D CB 0.464 41.238 40.800 -0.043 0.000 1.019 227 D HN 0.466 nan 8.370 nan 0.000 0.516 228 E N 1.343 121.518 120.200 -0.042 0.000 2.103 228 E HA -0.236 4.115 4.350 0.001 0.000 0.186 228 E C -0.650 175.943 176.600 -0.011 0.000 1.392 228 E CA 0.362 56.746 56.400 -0.027 0.000 0.691 228 E CB -0.692 28.998 29.700 -0.016 0.000 1.068 228 E HN 0.514 nan 8.360 nan 0.000 0.328 229 A N 1.681 124.476 122.820 -0.041 0.000 2.409 229 A HA 0.357 4.677 4.320 0.001 0.000 0.267 229 A C -0.217 177.372 177.584 0.008 0.000 1.127 229 A CA -0.315 51.700 52.037 -0.036 0.000 0.795 229 A CB 0.202 19.135 19.000 -0.111 0.000 1.061 229 A HN 0.361 nan 8.150 nan 0.000 0.502 230 F N 4.028 123.934 119.950 -0.073 0.000 2.427 230 F HA 0.513 5.040 4.527 0.001 0.000 0.352 230 F C -0.396 175.390 175.800 -0.023 0.000 1.100 230 F CA -0.471 57.503 58.000 -0.043 0.000 1.191 230 F CB 1.002 39.982 39.000 -0.034 0.000 1.128 230 F HN 0.270 nan 8.300 nan 0.000 0.533 231 V N 8.407 127.833 119.914 -0.812 0.000 2.378 231 V HA 0.357 4.478 4.120 0.001 0.000 0.288 231 V C -2.111 173.433 176.094 -0.916 0.000 1.016 231 V CA -1.951 59.942 62.300 -0.679 0.000 0.840 231 V CB 1.371 33.072 31.823 -0.204 0.000 0.994 231 V HN 0.667 nan 8.190 nan 0.000 0.431 232 P HA 0.038 nan 4.420 nan 0.000 0.266 232 P C 0.760 178.048 177.300 -0.020 0.000 1.195 232 P CA 0.169 63.067 63.100 -0.338 0.000 0.768 232 P CB 1.068 32.702 31.700 -0.110 0.000 0.838 233 E N 2.492 122.747 120.200 0.090 0.000 2.219 233 E HA -0.224 4.127 4.350 0.001 0.000 0.198 233 E C 0.965 177.655 176.600 0.150 0.000 0.998 233 E CA 1.570 58.091 56.400 0.200 0.000 0.818 233 E CB 0.002 29.759 29.700 0.095 0.000 0.741 233 E HN 0.527 nan 8.360 nan 0.000 0.477 234 E N -0.234 120.016 120.200 0.083 0.000 2.478 234 E HA -0.079 4.272 4.350 0.001 0.000 0.198 234 E C 1.214 177.843 176.600 0.049 0.000 1.046 234 E CA 0.555 56.991 56.400 0.060 0.000 0.870 234 E CB -0.011 29.724 29.700 0.057 0.000 0.818 234 E HN 0.127 nan 8.360 nan 0.000 0.527 235 N N 0.084 118.809 118.700 0.040 0.000 2.322 235 N HA 0.142 4.883 4.740 0.001 0.000 0.181 235 N C 0.096 175.558 175.510 -0.080 0.000 1.088 235 N CA -0.139 52.916 53.050 0.010 0.000 0.885 235 N CB 0.527 39.015 38.487 0.002 0.000 1.013 235 N HN 0.176 nan 8.380 nan 0.000 0.472 236 I N 1.639 122.129 120.570 -0.133 0.000 2.648 236 I HA -0.041 4.129 4.170 0.001 0.000 0.284 236 I C -0.515 175.393 176.117 -0.348 0.000 1.153 236 I CA -0.548 60.489 61.300 -0.438 0.000 1.426 236 I CB 0.515 38.138 38.000 -0.628 0.000 1.381 236 I HN -0.172 nan 8.210 nan 0.000 0.571 237 L N 10.628 131.590 121.223 -0.434 0.000 2.500 237 L HA 0.159 4.500 4.340 0.001 0.000 0.272 237 L C -1.597 175.109 176.870 -0.273 0.000 1.149 237 L CA -1.340 53.344 54.840 -0.259 0.000 0.897 237 L CB -0.109 41.832 42.059 -0.197 0.000 1.178 237 L HN 0.496 nan 8.230 nan 0.000 0.473 238 P HA -0.020 nan 4.420 nan 0.000 0.227 238 P C 0.344 177.384 177.300 -0.433 0.000 1.161 238 P CA 1.074 63.917 63.100 -0.428 0.000 0.788 238 P CB 0.224 31.537 31.700 -0.645 0.000 0.822 239 H N -1.642 117.432 119.070 0.006 0.000 2.488 239 H HA 0.482 5.038 4.556 0.001 0.000 0.294 239 H C -0.481 174.851 175.328 0.008 0.000 1.088 239 H CA -0.403 55.673 56.048 0.046 0.000 1.086 239 H CB 0.392 30.213 29.762 0.098 0.000 1.569 239 H HN -0.124 nan 8.280 nan 0.000 0.548 240 V N 0.807 120.680 119.914 -0.070 0.000 2.924 240 V HA 0.313 4.433 4.120 0.001 0.000 0.300 240 V C -1.575 174.420 176.094 -0.164 0.000 1.227 240 V CA -0.779 61.372 62.300 -0.248 0.000 0.954 240 V CB 2.311 33.616 31.823 -0.864 0.000 1.055 240 V HN 0.203 nan 8.190 nan 0.000 0.429 241 K N 3.533 123.864 120.400 -0.116 0.000 2.422 241 K HA 0.844 5.164 4.320 0.001 0.000 0.251 241 K C 0.148 176.718 176.600 -0.050 0.000 0.933 241 K CA 0.249 56.498 56.287 -0.064 0.000 0.798 241 K CB 1.983 34.456 32.500 -0.044 0.000 1.238 241 K HN 1.452 nan 8.250 nan 0.000 0.428 242 G N 1.148 109.938 108.800 -0.017 0.000 2.584 242 G HA2 -0.291 3.669 3.960 0.001 0.000 0.229 242 G HA3 -0.291 3.669 3.960 0.001 0.000 0.229 242 G C 0.526 175.393 174.900 -0.054 0.000 1.320 242 G CA -0.266 44.819 45.100 -0.025 0.000 0.891 242 G HN 0.528 nan 8.290 nan 0.000 0.573 243 L N 0.263 121.445 121.223 -0.069 0.000 2.191 243 L HA -0.030 4.311 4.340 0.001 0.000 0.212 243 L C 3.077 179.905 176.870 -0.071 0.000 1.103 243 L CA 1.785 56.574 54.840 -0.087 0.000 0.769 243 L CB -0.346 41.652 42.059 -0.102 0.000 0.908 243 L HN 0.655 nan 8.230 nan 0.000 0.438 244 R N 0.222 120.682 120.500 -0.067 0.000 2.127 244 R HA -0.153 4.188 4.340 0.001 0.000 0.238 244 R C 2.182 178.488 176.300 0.011 0.000 1.134 244 R CA 1.325 57.438 56.100 0.022 0.000 0.975 244 R CB -0.330 29.964 30.300 -0.009 0.000 0.865 244 R HN 0.402 nan 8.270 nan 0.000 0.447 245 G N 1.332 110.009 108.800 -0.205 0.000 2.484 245 G HA2 -0.188 3.773 3.960 0.001 0.000 0.215 245 G HA3 -0.188 3.773 3.960 0.001 0.000 0.215 245 G C -0.946 173.665 174.900 -0.482 0.000 1.219 245 G CA 0.610 45.509 45.100 -0.335 0.000 0.791 245 G HN 0.378 nan 8.290 nan 0.000 0.550 246 P HA -0.048 nan 4.420 nan 0.000 0.220 246 P C 1.715 178.967 177.300 -0.079 0.000 1.152 246 P CA 0.632 63.271 63.100 -0.768 0.000 0.812 246 P CB -0.140 31.055 31.700 -0.841 0.000 0.792 247 F N 1.257 121.128 119.950 -0.132 0.000 2.186 247 F HA -0.109 4.418 4.527 0.001 0.000 0.299 247 F C 1.951 177.787 175.800 0.060 0.000 1.090 247 F CA 1.653 59.645 58.000 -0.012 0.000 1.307 247 F CB -1.099 37.892 39.000 -0.015 0.000 1.019 247 F HN -0.183 nan 8.300 nan 0.000 0.489 248 T N 0.269 114.865 114.554 0.071 0.000 2.746 248 T HA -0.220 4.131 4.350 0.001 0.000 0.267 248 T C 2.110 176.795 174.700 -0.026 0.000 1.039 248 T CA 1.775 63.908 62.100 0.054 0.000 1.142 248 T CB -0.931 68.211 68.868 0.456 0.000 0.866 248 T HN 0.461 nan 8.240 nan 0.000 0.444 249 C N 1.083 120.419 119.300 0.061 0.000 2.432 249 C HA 0.053 4.513 4.460 0.001 0.000 0.277 249 C C 2.689 177.588 174.990 -0.152 0.000 1.249 249 C CA 0.308 59.307 59.018 -0.031 0.000 1.725 249 C CB -1.485 26.251 27.740 -0.007 0.000 2.028 249 C HN 0.498 nan 8.230 nan 0.000 0.477 250 L N 1.303 122.434 121.223 -0.153 0.000 2.093 250 L HA -0.132 4.208 4.340 0.001 0.000 0.208 250 L C 2.477 179.258 176.870 -0.149 0.000 1.085 250 L CA 1.777 56.543 54.840 -0.124 0.000 0.755 250 L CB -0.793 41.255 42.059 -0.019 0.000 0.904 250 L HN 0.420 nan 8.230 nan 0.000 0.435 251 N N -0.431 118.076 118.700 -0.322 0.000 2.166 251 N HA -0.221 4.520 4.740 0.001 0.000 0.186 251 N C 2.045 177.497 175.510 -0.097 0.000 1.019 251 N CA 1.535 54.404 53.050 -0.302 0.000 0.856 251 N CB -0.034 38.089 38.487 -0.608 0.000 0.993 251 N HN 0.186 nan 8.380 nan 0.000 0.426 252 S N -0.798 114.872 115.700 -0.050 0.000 2.368 252 S HA -0.014 4.457 4.470 0.001 0.000 0.224 252 S C 1.983 176.714 174.600 0.219 0.000 1.029 252 S CA 1.258 59.529 58.200 0.118 0.000 0.988 252 S CB -0.635 62.639 63.200 0.123 0.000 0.838 252 S HN 0.468 nan 8.310 nan 0.000 0.462 253 A N 1.673 124.547 122.820 0.091 0.000 1.873 253 A HA 0.013 4.333 4.320 0.001 0.000 0.215 253 A C 2.252 179.856 177.584 0.034 0.000 1.186 253 A CA 1.376 53.457 52.037 0.074 0.000 0.616 253 A CB -0.707 18.272 19.000 -0.035 0.000 0.823 253 A HN 0.617 nan 8.150 nan 0.000 0.442 254 R N -1.976 118.532 120.500 0.012 0.000 2.103 254 R HA -0.212 4.128 4.340 0.001 0.000 0.242 254 R C 2.110 178.402 176.300 -0.012 0.000 1.142 254 R CA 1.886 57.977 56.100 -0.015 0.000 0.960 254 R CB -0.625 29.663 30.300 -0.020 0.000 0.858 254 R HN 0.740 nan 8.270 nan 0.000 0.439 255 Y N 0.457 120.721 120.300 -0.060 0.000 2.165 255 Y HA -0.212 4.338 4.550 0.001 0.000 0.286 255 Y C 2.230 178.103 175.900 -0.046 0.000 1.155 255 Y CA 1.788 59.867 58.100 -0.034 0.000 1.164 255 Y CB -0.456 37.998 38.460 -0.010 0.000 0.978 255 Y HN 0.074 nan 8.280 nan 0.000 0.513 256 G N 0.075 108.729 108.800 -0.243 0.000 2.403 256 G HA2 -0.179 3.781 3.960 0.001 0.000 0.216 256 G HA3 -0.179 3.781 3.960 0.001 0.000 0.216 256 G C 1.631 176.378 174.900 -0.256 0.000 1.154 256 G CA 0.985 45.774 45.100 -0.518 0.000 0.784 256 G HN 0.494 nan 8.290 nan 0.000 0.538 257 I N 1.467 121.948 120.570 -0.149 0.000 2.361 257 I HA -0.155 4.015 4.170 0.001 0.000 0.251 257 I C 3.229 179.277 176.117 -0.115 0.000 1.133 257 I CA 0.818 62.055 61.300 -0.105 0.000 1.413 257 I CB -0.124 37.822 38.000 -0.090 0.000 1.073 257 I HN 0.232 nan 8.210 nan 0.000 0.424 258 A N 0.093 122.815 122.820 -0.163 0.000 1.933 258 A HA -0.223 4.097 4.320 0.001 0.000 0.218 258 A C 1.962 179.405 177.584 -0.236 0.000 1.175 258 A CA 1.430 53.340 52.037 -0.212 0.000 0.628 258 A CB -0.877 17.965 19.000 -0.264 0.000 0.814 258 A HN 0.540 nan 8.150 nan 0.000 0.444 259 W N -0.552 120.534 121.300 -0.357 0.000 2.481 259 W HA 0.160 4.820 4.660 0.000 0.000 0.293 259 W C 2.557 178.961 176.519 -0.191 0.000 1.201 259 W CA 0.979 58.149 57.345 -0.292 0.000 1.328 259 W CB -0.577 28.655 29.460 -0.381 0.000 1.112 259 W HN 0.339 nan 8.180 nan 0.000 0.546 260 G N 0.190 109.025 108.800 0.058 0.000 2.418 260 G HA2 -0.237 3.723 3.960 0.001 0.000 0.217 260 G HA3 -0.237 3.723 3.960 0.001 0.000 0.217 260 G C 1.651 176.557 174.900 0.011 0.000 1.158 260 G CA 1.394 46.513 45.100 0.032 0.000 0.771 260 G HN 0.279 nan 8.290 nan 0.000 0.545 261 A N 0.667 123.470 122.820 -0.027 0.000 1.940 261 A HA 0.029 4.349 4.320 0.001 0.000 0.219 261 A C 2.425 179.979 177.584 -0.049 0.000 1.176 261 A CA 1.401 53.416 52.037 -0.038 0.000 0.631 261 A CB -0.396 18.568 19.000 -0.061 0.000 0.814 261 A HN 0.378 nan 8.150 nan 0.000 0.446 262 L N -0.795 120.390 121.223 -0.064 0.000 2.083 262 L HA -0.111 4.229 4.340 0.001 0.000 0.209 262 L C 2.802 179.655 176.870 -0.028 0.000 1.083 262 L CA 0.981 55.781 54.840 -0.067 0.000 0.752 262 L CB -0.824 41.169 42.059 -0.109 0.000 0.899 262 L HN 0.476 nan 8.230 nan 0.000 0.433 263 G N -0.248 108.558 108.800 0.010 0.000 2.418 263 G HA2 -0.235 3.725 3.960 0.001 0.000 0.217 263 G HA3 -0.235 3.725 3.960 0.001 0.000 0.217 263 G C 1.796 176.671 174.900 -0.041 0.000 1.158 263 G CA 0.807 45.922 45.100 0.025 0.000 0.771 263 G HN 0.454 nan 8.290 nan 0.000 0.545 264 A N 1.234 124.024 122.820 -0.050 0.000 1.902 264 A HA 0.259 4.580 4.320 0.001 0.000 0.217 264 A C 2.840 180.244 177.584 -0.300 0.000 1.181 264 A CA 2.288 54.210 52.037 -0.192 0.000 0.623 264 A CB -0.871 18.141 19.000 0.020 0.000 0.818 264 A HN 0.814 nan 8.150 nan 0.000 0.443 265 A N -0.198 122.534 122.820 -0.147 0.000 1.883 265 A HA -0.232 4.089 4.320 0.001 0.000 0.217 265 A C 1.914 179.448 177.584 -0.083 0.000 1.186 265 A CA 1.868 53.839 52.037 -0.110 0.000 0.624 265 A CB -0.645 18.306 19.000 -0.080 0.000 0.822 265 A HN 0.643 nan 8.150 nan 0.000 0.444 266 E N -0.217 119.931 120.200 -0.086 0.000 2.058 266 E HA -0.156 4.194 4.350 0.001 0.000 0.194 266 E C 2.379 178.744 176.600 -0.391 0.000 0.997 266 E CA 1.504 57.800 56.400 -0.173 0.000 0.801 266 E CB -0.173 29.447 29.700 -0.134 0.000 0.746 266 E HN 0.609 nan 8.360 nan 0.000 0.450 267 S N 0.189 115.732 115.700 -0.263 0.000 2.359 267 S HA -0.193 4.278 4.470 0.001 0.000 0.224 267 S C 2.179 176.681 174.600 -0.163 0.000 1.035 267 S CA 1.090 59.170 58.200 -0.200 0.000 1.018 267 S CB -0.348 62.687 63.200 -0.276 0.000 0.876 267 S HN 0.408 nan 8.310 nan 0.000 0.448 268 C N 0.258 119.431 119.300 -0.211 0.000 2.429 268 C HA -0.084 4.377 4.460 0.001 0.000 0.277 268 C C 2.295 177.312 174.990 0.044 0.000 1.262 268 C CA 0.248 59.211 59.018 -0.091 0.000 1.733 268 C CB -1.448 26.234 27.740 -0.097 0.000 2.010 268 C HN 0.864 nan 8.230 nan 0.000 0.483 269 W N 1.544 122.753 121.300 -0.151 0.000 2.354 269 W HA -0.127 4.533 4.660 0.000 0.000 0.315 269 W C 2.415 178.974 176.519 0.067 0.000 1.206 269 W CA 1.822 59.128 57.345 -0.066 0.000 1.290 269 W CB -1.268 28.134 29.460 -0.097 0.000 1.152 269 W HN 0.529 nan 8.180 nan 0.000 0.489 270 H N -0.623 118.376 119.070 -0.119 0.000 2.387 270 H HA -0.148 4.408 4.556 0.001 0.000 0.299 270 H C 2.287 177.560 175.328 -0.092 0.000 1.090 270 H CA 1.772 57.694 56.048 -0.210 0.000 1.332 270 H CB -0.215 29.458 29.762 -0.149 0.000 1.386 270 H HN 0.153 nan 8.280 nan 0.000 0.516 271 I N 0.764 121.376 120.570 0.071 0.000 2.202 271 I HA -0.251 3.919 4.170 0.001 0.000 0.242 271 I C 2.814 178.949 176.117 0.029 0.000 1.091 271 I CA 0.856 62.174 61.300 0.030 0.000 1.368 271 I CB -0.283 37.711 38.000 -0.010 0.000 1.058 271 I HN 0.290 nan 8.210 nan 0.000 0.410 272 A N 0.697 123.537 122.820 0.032 0.000 1.883 272 A HA -0.268 4.053 4.320 0.001 0.000 0.217 272 A C 2.449 180.089 177.584 0.093 0.000 1.186 272 A CA 1.889 53.956 52.037 0.050 0.000 0.624 272 A CB -0.709 18.334 19.000 0.073 0.000 0.822 272 A HN 0.343 nan 8.150 nan 0.000 0.444 273 R N -1.004 119.534 120.500 0.062 0.000 2.082 273 R HA -0.247 4.093 4.340 0.001 0.000 0.234 273 R C 2.448 178.717 176.300 -0.051 0.000 1.136 273 R CA 2.160 58.243 56.100 -0.029 0.000 0.935 273 R CB -0.358 29.825 30.300 -0.196 0.000 0.842 273 R HN 0.529 nan 8.270 nan 0.000 0.430 274 Q N -0.492 119.284 119.800 -0.040 0.000 2.135 274 Q HA -0.216 4.125 4.340 0.001 0.000 0.204 274 Q C 1.757 177.755 176.000 -0.003 0.000 0.981 274 Q CA 1.945 57.726 55.803 -0.036 0.000 0.856 274 Q CB -0.492 28.237 28.738 -0.015 0.000 0.902 274 Q HN 0.526 nan 8.270 nan 0.000 0.425 275 Y N -0.105 120.149 120.300 -0.077 0.000 2.145 275 Y HA -0.220 4.331 4.550 0.001 0.000 0.286 275 Y C 1.990 177.847 175.900 -0.071 0.000 1.145 275 Y CA 1.999 60.051 58.100 -0.080 0.000 1.148 275 Y CB -0.343 38.055 38.460 -0.103 0.000 0.981 275 Y HN 0.102 nan 8.280 nan 0.000 0.507 276 V N -2.105 117.836 119.914 0.044 0.000 2.626 276 V HA -0.194 3.926 4.120 0.001 0.000 0.252 276 V C 2.066 178.092 176.094 -0.113 0.000 1.067 276 V CA 1.450 63.726 62.300 -0.039 0.000 1.081 276 V CB -0.977 30.874 31.823 0.046 0.000 0.686 276 V HN 0.356 nan 8.190 nan 0.000 0.468 277 L N 1.122 122.280 121.223 -0.109 0.000 2.027 277 L HA -0.018 4.322 4.340 0.001 0.000 0.206 277 L C 2.345 179.135 176.870 -0.133 0.000 1.074 277 L CA 2.032 56.803 54.840 -0.115 0.000 0.745 277 L CB -1.378 40.613 42.059 -0.114 0.000 0.898 277 L HN 0.367 nan 8.230 nan 0.000 0.433 278 D N -0.851 119.449 120.400 -0.167 0.000 2.194 278 D HA -0.035 4.605 4.640 0.001 0.000 0.204 278 D C 0.789 176.954 176.300 -0.226 0.000 0.964 278 D CA 0.616 54.512 54.000 -0.174 0.000 0.846 278 D CB 0.179 40.881 40.800 -0.163 0.000 0.962 278 D HN 0.167 nan 8.370 nan 0.000 0.490 279 R N 1.300 121.592 120.500 -0.346 0.000 2.428 279 R HA 0.447 4.787 4.340 0.001 0.000 0.294 279 R C 0.405 176.565 176.300 -0.233 0.000 1.000 279 R CA -0.310 55.574 56.100 -0.360 0.000 0.960 279 R CB 1.442 31.354 30.300 -0.647 0.000 1.076 279 R HN -0.048 nan 8.270 nan 0.000 0.475 280 K N 1.768 122.061 120.400 -0.178 0.000 2.203 280 K HA 0.388 4.709 4.320 0.001 0.000 0.251 280 K C -0.485 176.019 176.600 -0.160 0.000 0.944 280 K CA -0.752 55.455 56.287 -0.134 0.000 0.829 280 K CB 2.463 34.906 32.500 -0.094 0.000 1.125 280 K HN 0.449 nan 8.250 nan 0.000 0.430 281 Q N 1.277 120.975 119.800 -0.170 0.000 2.353 281 Q HA 0.241 4.581 4.340 0.001 0.000 0.275 281 Q C -1.191 174.683 176.000 -0.210 0.000 1.029 281 Q CA -0.536 55.069 55.803 -0.330 0.000 0.848 281 Q CB 1.096 29.534 28.738 -0.500 0.000 1.390 281 Q HN 0.534 nan 8.270 nan 0.000 0.401 282 F N 1.419 121.363 119.950 -0.010 0.000 3.090 282 F HA -0.252 4.275 4.527 0.001 0.000 0.282 282 F C 1.044 176.837 175.800 -0.012 0.000 0.923 282 F CA 1.635 59.630 58.000 -0.008 0.000 0.977 282 F CB -2.048 36.948 39.000 -0.006 0.000 0.954 282 F HN 0.932 nan 8.300 nan 0.000 0.695 283 G N -0.790 108.072 108.800 0.103 0.000 2.179 283 G HA2 -0.280 3.680 3.960 0.001 0.000 0.260 283 G HA3 -0.280 3.680 3.960 0.001 0.000 0.260 283 G C 0.241 175.159 174.900 0.032 0.000 0.977 283 G CA 0.499 45.633 45.100 0.056 0.000 0.641 283 G HN 0.861 nan 8.290 nan 0.000 0.533 284 R N -1.052 119.466 120.500 0.030 0.000 2.817 284 R HA 0.753 5.094 4.340 0.001 0.000 0.268 284 R C -3.309 172.976 176.300 -0.023 0.000 1.027 284 R CA -2.308 53.796 56.100 0.006 0.000 0.928 284 R CB 0.049 30.362 30.300 0.023 0.000 1.228 284 R HN 0.065 nan 8.270 nan 0.000 0.469 285 P HA 0.058 nan 4.420 nan 0.000 0.271 285 P C 0.376 177.647 177.300 -0.047 0.000 1.218 285 P CA -0.497 62.565 63.100 -0.064 0.000 0.780 285 P CB 0.400 32.060 31.700 -0.067 0.000 0.901 286 L N 2.676 123.858 121.223 -0.069 0.000 2.089 286 L HA -0.244 4.097 4.340 0.001 0.000 0.213 286 L C 2.343 179.207 176.870 -0.010 0.000 1.079 286 L CA 2.187 57.007 54.840 -0.034 0.000 0.758 286 L CB -2.234 39.804 42.059 -0.035 0.000 0.891 286 L HN 0.452 nan 8.230 nan 0.000 0.433 287 A N -0.971 121.832 122.820 -0.027 0.000 2.186 287 A HA -0.088 4.232 4.320 0.001 0.000 0.219 287 A C 2.354 179.931 177.584 -0.011 0.000 1.159 287 A CA 1.435 53.459 52.037 -0.022 0.000 0.680 287 A CB -0.649 18.322 19.000 -0.048 0.000 0.787 287 A HN 0.399 nan 8.150 nan 0.000 0.467 288 A N -0.195 122.622 122.820 -0.005 0.000 2.167 288 A HA 0.046 4.367 4.320 0.001 0.000 0.214 288 A C 0.735 178.330 177.584 0.019 0.000 1.151 288 A CA -0.105 51.935 52.037 0.005 0.000 0.735 288 A CB -0.236 18.771 19.000 0.010 0.000 0.802 288 A HN 0.518 nan 8.150 nan 0.000 0.467 289 N N 0.752 119.468 118.700 0.026 0.000 2.470 289 N HA 0.071 4.811 4.740 0.001 0.000 0.268 289 N C 0.568 176.094 175.510 0.025 0.000 1.136 289 N CA -0.010 53.061 53.050 0.036 0.000 0.961 289 N CB 0.929 39.446 38.487 0.050 0.000 1.067 289 N HN 0.428 nan 8.380 nan 0.000 0.468 290 Q N 1.068 120.881 119.800 0.022 0.000 2.112 290 Q HA -0.160 4.180 4.340 0.001 0.000 0.206 290 Q C 1.339 177.349 176.000 0.016 0.000 0.987 290 Q CA 1.282 57.095 55.803 0.015 0.000 0.858 290 Q CB 0.057 28.802 28.738 0.012 0.000 0.905 290 Q HN 0.474 nan 8.270 nan 0.000 0.420 291 L N 0.349 121.585 121.223 0.022 0.000 2.083 291 L HA -0.188 4.153 4.340 0.001 0.000 0.209 291 L C 2.135 179.018 176.870 0.022 0.000 1.083 291 L CA 1.430 56.282 54.840 0.021 0.000 0.752 291 L CB -0.857 41.218 42.059 0.027 0.000 0.899 291 L HN 0.297 nan 8.230 nan 0.000 0.433 292 I N -0.843 119.744 120.570 0.028 0.000 2.286 292 I HA -0.241 3.930 4.170 0.001 0.000 0.245 292 I C 2.400 178.535 176.117 0.030 0.000 1.104 292 I CA 1.016 62.335 61.300 0.032 0.000 1.397 292 I CB -0.998 37.025 38.000 0.037 0.000 1.072 292 I HN 0.420 nan 8.210 nan 0.000 0.417 293 Q N 0.453 120.267 119.800 0.023 0.000 2.224 293 Q HA -0.201 4.139 4.340 0.001 0.000 0.203 293 Q C 2.209 178.222 176.000 0.021 0.000 0.970 293 Q CA 1.033 56.850 55.803 0.024 0.000 0.865 293 Q CB -0.070 28.678 28.738 0.016 0.000 0.922 293 Q HN 0.453 nan 8.270 nan 0.000 0.445 294 K N 1.535 121.942 120.400 0.012 0.000 2.062 294 K HA -0.128 4.193 4.320 0.001 0.000 0.205 294 K C 1.727 178.322 176.600 -0.008 0.000 1.051 294 K CA 0.968 57.255 56.287 0.001 0.000 0.941 294 K CB 0.180 32.679 32.500 -0.002 0.000 0.719 294 K HN 0.024 nan 8.250 nan 0.000 0.440 295 K N 0.768 121.168 120.400 -0.001 0.000 2.032 295 K HA -0.122 4.198 4.320 0.001 0.000 0.209 295 K C 2.190 178.781 176.600 -0.014 0.000 1.048 295 K CA 1.506 57.788 56.287 -0.009 0.000 0.927 295 K CB -0.202 32.303 32.500 0.008 0.000 0.712 295 K HN 0.136 nan 8.250 nan 0.000 0.441 296 L N 0.463 121.704 121.223 0.029 0.000 2.079 296 L HA -0.213 4.128 4.340 0.001 0.000 0.210 296 L C 2.550 179.419 176.870 -0.002 0.000 1.081 296 L CA 1.139 56.026 54.840 0.078 0.000 0.752 296 L CB -0.541 41.604 42.059 0.144 0.000 0.896 296 L HN 0.255 nan 8.230 nan 0.000 0.433 297 A N -0.612 122.203 122.820 -0.008 0.000 1.929 297 A HA -0.173 4.148 4.320 0.001 0.000 0.216 297 A C 1.932 179.455 177.584 -0.101 0.000 1.176 297 A CA 1.471 53.493 52.037 -0.025 0.000 0.628 297 A CB -0.325 18.674 19.000 -0.001 0.000 0.816 297 A HN 0.313 nan 8.150 nan 0.000 0.444 298 D N -0.165 120.171 120.400 -0.106 0.000 2.097 298 D HA -0.130 4.511 4.640 0.001 0.000 0.197 298 D C 2.062 178.225 176.300 -0.228 0.000 0.984 298 D CA 1.388 55.308 54.000 -0.132 0.000 0.826 298 D CB -0.331 40.413 40.800 -0.093 0.000 0.973 298 D HN 0.468 nan 8.370 nan 0.000 0.460 299 M N 0.437 119.855 119.600 -0.303 0.000 2.065 299 M HA -0.220 4.260 4.480 0.001 0.000 0.259 299 M C 2.399 178.200 176.300 -0.832 0.000 1.069 299 M CA 1.450 56.448 55.300 -0.503 0.000 1.110 299 M CB -0.401 31.863 32.600 -0.561 0.000 1.328 299 M HN -0.020 nan 8.290 nan 0.000 0.405 300 Q N -0.097 119.091 119.800 -1.020 0.000 2.077 300 Q HA -0.200 4.140 4.340 0.001 0.000 0.206 300 Q C 1.764 177.492 176.000 -0.454 0.000 0.989 300 Q CA 2.487 57.701 55.803 -0.981 0.000 0.853 300 Q CB -0.079 28.455 28.738 -0.340 0.000 0.907 300 Q HN 0.502 nan 8.270 nan 0.000 0.418 301 T N 1.126 115.516 114.554 -0.274 0.000 2.708 301 T HA -0.127 4.223 4.350 0.001 0.000 0.266 301 T C 1.534 176.135 174.700 -0.165 0.000 1.037 301 T CA 1.379 63.385 62.100 -0.156 0.000 1.146 301 T CB -0.175 68.630 68.868 -0.105 0.000 0.865 301 T HN 0.339 nan 8.240 nan 0.000 0.435 302 E N 0.837 120.921 120.200 -0.194 0.000 2.106 302 E HA 0.015 4.365 4.350 0.001 0.000 0.192 302 E C 2.277 178.772 176.600 -0.175 0.000 0.984 302 E CA 0.669 56.970 56.400 -0.164 0.000 0.806 302 E CB -0.424 29.185 29.700 -0.152 0.000 0.750 302 E HN 0.497 nan 8.360 nan 0.000 0.458 303 I N 1.092 121.527 120.570 -0.225 0.000 2.179 303 I HA -0.245 3.926 4.170 0.001 0.000 0.242 303 I C 2.370 178.405 176.117 -0.137 0.000 1.088 303 I CA 1.321 62.512 61.300 -0.181 0.000 1.357 303 I CB -0.366 37.520 38.000 -0.189 0.000 1.051 303 I HN 0.053 nan 8.210 nan 0.000 0.409 304 T N 1.195 115.668 114.554 -0.136 0.000 2.684 304 T HA -0.177 4.174 4.350 0.001 0.000 0.267 304 T C 1.905 176.557 174.700 -0.081 0.000 1.036 304 T CA 1.448 63.507 62.100 -0.069 0.000 1.148 304 T CB -0.330 68.517 68.868 -0.034 0.000 0.863 304 T HN 0.225 nan 8.240 nan 0.000 0.436 305 L N 0.427 121.592 121.223 -0.096 0.000 2.027 305 L HA 0.042 4.382 4.340 0.001 0.000 0.206 305 L C 3.081 179.875 176.870 -0.128 0.000 1.074 305 L CA 1.277 56.060 54.840 -0.095 0.000 0.745 305 L CB -1.061 40.946 42.059 -0.087 0.000 0.898 305 L HN 0.353 nan 8.230 nan 0.000 0.433 306 G N 0.236 108.946 108.800 -0.151 0.000 2.469 306 G HA2 -0.250 3.710 3.960 0.001 0.000 0.220 306 G HA3 -0.250 3.710 3.960 0.001 0.000 0.220 306 G C 1.634 176.370 174.900 -0.272 0.000 1.136 306 G CA 0.763 45.745 45.100 -0.196 0.000 0.759 306 G HN 0.227 nan 8.290 nan 0.000 0.562 307 L N -0.395 120.678 121.223 -0.250 0.000 2.072 307 L HA -0.076 4.265 4.340 0.001 0.000 0.205 307 L C 3.190 179.890 176.870 -0.283 0.000 1.079 307 L CA 0.801 55.446 54.840 -0.325 0.000 0.752 307 L CB -0.389 41.556 42.059 -0.190 0.000 0.906 307 L HN 0.140 nan 8.230 nan 0.000 0.436 308 Q N 0.031 119.731 119.800 -0.166 0.000 2.152 308 Q HA -0.182 4.158 4.340 0.001 0.000 0.206 308 Q C 2.221 178.141 176.000 -0.132 0.000 0.985 308 Q CA 1.844 57.579 55.803 -0.113 0.000 0.863 308 Q CB -0.806 27.888 28.738 -0.072 0.000 0.904 308 Q HN 0.581 nan 8.270 nan 0.000 0.422 309 G N 0.465 109.161 108.800 -0.173 0.000 2.404 309 G HA2 -0.149 3.811 3.960 0.001 0.000 0.215 309 G HA3 -0.149 3.811 3.960 0.001 0.000 0.215 309 G C 1.567 176.348 174.900 -0.199 0.000 1.174 309 G CA 1.405 46.408 45.100 -0.161 0.000 0.780 309 G HN 0.384 nan 8.290 nan 0.000 0.537 310 V N -0.805 118.877 119.914 -0.387 0.000 2.667 310 V HA 0.048 4.169 4.120 0.001 0.000 0.252 310 V C 2.560 178.495 176.094 -0.265 0.000 1.065 310 V CA 1.418 63.394 62.300 -0.539 0.000 1.083 310 V CB -0.528 30.520 31.823 -1.292 0.000 0.692 310 V HN 0.198 nan 8.190 nan 0.000 0.468 311 L N 1.019 122.100 121.223 -0.237 0.000 2.046 311 L HA -0.034 4.307 4.340 0.001 0.000 0.208 311 L C 2.650 179.613 176.870 0.155 0.000 1.077 311 L CA 2.491 57.417 54.840 0.142 0.000 0.747 311 L CB -0.846 41.270 42.059 0.095 0.000 0.896 311 L HN 0.411 nan 8.230 nan 0.000 0.432 312 R N -0.319 120.213 120.500 0.054 0.000 2.066 312 R HA -0.104 4.236 4.340 0.001 0.000 0.232 312 R C 2.260 178.605 176.300 0.075 0.000 1.131 312 R CA 1.825 57.957 56.100 0.054 0.000 0.955 312 R CB -1.062 29.245 30.300 0.012 0.000 0.851 312 R HN 0.503 nan 8.270 nan 0.000 0.432 313 L N -0.004 121.266 121.223 0.078 0.000 2.013 313 L HA -0.145 4.195 4.340 0.001 0.000 0.212 313 L C 1.998 178.961 176.870 0.156 0.000 1.073 313 L CA 2.260 57.163 54.840 0.105 0.000 0.753 313 L CB -1.228 40.913 42.059 0.136 0.000 0.890 313 L HN 0.549 nan 8.230 nan 0.000 0.432 314 G N -0.291 108.720 108.800 0.352 0.000 2.514 314 G HA2 -0.310 3.650 3.960 0.001 0.000 0.217 314 G HA3 -0.310 3.650 3.960 0.001 0.000 0.217 314 G C 1.530 176.536 174.900 0.177 0.000 1.198 314 G CA 0.535 45.854 45.100 0.365 0.000 0.780 314 G HN 0.296 nan 8.290 nan 0.000 0.565 315 R N -0.135 120.464 120.500 0.164 0.000 2.139 315 R HA -0.002 4.339 4.340 0.001 0.000 0.243 315 R C 2.641 178.978 176.300 0.061 0.000 1.145 315 R CA 1.199 57.362 56.100 0.104 0.000 0.976 315 R CB -0.617 29.736 30.300 0.088 0.000 0.866 315 R HN 0.454 nan 8.270 nan 0.000 0.449 316 M N 0.225 119.848 119.600 0.038 0.000 2.156 316 M HA -0.099 4.381 4.480 0.001 0.000 0.264 316 M C 2.083 178.362 176.300 -0.036 0.000 1.067 316 M CA 1.516 56.819 55.300 0.004 0.000 1.131 316 M CB -0.187 32.412 32.600 -0.002 0.000 1.368 316 M HN 0.006 nan 8.290 nan 0.000 0.416 317 K N 0.449 120.784 120.400 -0.109 0.000 2.032 317 K HA -0.175 4.146 4.320 0.001 0.000 0.209 317 K C 1.538 178.118 176.600 -0.033 0.000 1.048 317 K CA 1.520 57.654 56.287 -0.255 0.000 0.927 317 K CB -0.267 31.781 32.500 -0.754 0.000 0.712 317 K HN 0.257 nan 8.250 nan 0.000 0.441 318 D N 0.760 121.219 120.400 0.098 0.000 2.178 318 D HA -0.146 4.495 4.640 0.001 0.000 0.201 318 D C 1.667 178.018 176.300 0.085 0.000 0.980 318 D CA 1.136 55.229 54.000 0.156 0.000 0.842 318 D CB -0.014 40.867 40.800 0.136 0.000 0.948 318 D HN 0.314 nan 8.370 nan 0.000 0.472 319 E N -0.493 119.739 120.200 0.053 0.000 2.208 319 E HA 0.031 4.381 4.350 0.001 0.000 0.193 319 E C 1.304 177.923 176.600 0.033 0.000 0.988 319 E CA 0.658 57.081 56.400 0.038 0.000 0.828 319 E CB 0.175 29.892 29.700 0.028 0.000 0.763 319 E HN 0.319 nan 8.360 nan 0.000 0.478 320 G N 1.074 109.889 108.800 0.025 0.000 2.157 320 G HA2 -0.291 3.669 3.960 0.001 0.000 0.248 320 G HA3 -0.291 3.669 3.960 0.001 0.000 0.248 320 G C 0.980 175.885 174.900 0.010 0.000 0.979 320 G CA 0.752 45.864 45.100 0.020 0.000 0.650 320 G HN 0.381 nan 8.290 nan 0.000 0.529 321 T N -2.474 112.083 114.554 0.004 0.000 3.163 321 T HA 0.678 5.029 4.350 0.001 0.000 0.252 321 T C 0.831 175.529 174.700 -0.003 0.000 1.056 321 T CA 1.168 63.270 62.100 0.005 0.000 0.947 321 T CB 0.827 69.700 68.868 0.009 0.000 1.016 321 T HN 1.627 nan 8.240 nan 0.000 0.554 322 A N 1.120 123.929 122.820 -0.019 0.000 2.271 322 A HA 0.873 5.193 4.320 0.001 0.000 0.317 322 A C 0.550 178.127 177.584 -0.011 0.000 1.245 322 A CA -0.736 51.286 52.037 -0.024 0.000 0.857 322 A CB 0.559 19.523 19.000 -0.060 0.000 1.175 322 A HN 0.655 nan 8.150 nan 0.000 0.512 323 A N 1.895 124.721 122.820 0.010 0.000 2.296 323 A HA 0.474 4.794 4.320 0.001 0.000 0.264 323 A C 1.262 178.872 177.584 0.044 0.000 1.097 323 A CA -0.015 52.042 52.037 0.033 0.000 0.811 323 A CB 0.051 19.073 19.000 0.038 0.000 1.072 323 A HN 1.152 nan 8.150 nan 0.000 0.495 324 V N 0.226 120.196 119.914 0.094 0.000 2.515 324 V HA -0.152 3.969 4.120 0.001 0.000 0.250 324 V C 2.282 178.447 176.094 0.118 0.000 1.058 324 V CA 2.424 64.807 62.300 0.139 0.000 1.064 324 V CB -1.074 30.949 31.823 0.332 0.000 0.675 324 V HN 0.958 nan 8.190 nan 0.000 0.461 325 E N 0.256 120.516 120.200 0.101 0.000 2.209 325 E HA -0.174 4.176 4.350 0.001 0.000 0.196 325 E C 1.924 178.554 176.600 0.049 0.000 0.993 325 E CA 1.183 57.634 56.400 0.085 0.000 0.819 325 E CB -0.348 29.390 29.700 0.064 0.000 0.745 325 E HN 0.613 nan 8.360 nan 0.000 0.477 326 I N 0.393 120.980 120.570 0.029 0.000 2.286 326 I HA -0.253 3.918 4.170 0.001 0.000 0.248 326 I C 1.934 178.047 176.117 -0.006 0.000 1.115 326 I CA 1.235 62.539 61.300 0.007 0.000 1.392 326 I CB -0.526 37.475 38.000 0.003 0.000 1.065 326 I HN 0.078 nan 8.210 nan 0.000 0.418 327 T N 0.031 114.588 114.554 0.005 0.000 2.833 327 T HA -0.143 4.207 4.350 0.001 0.000 0.269 327 T C 2.164 176.806 174.700 -0.097 0.000 1.054 327 T CA 1.616 63.709 62.100 -0.011 0.000 1.135 327 T CB -0.159 68.714 68.868 0.008 0.000 0.869 327 T HN 0.281 nan 8.240 nan 0.000 0.466 328 S N 1.100 116.764 115.700 -0.060 0.000 2.348 328 S HA -0.028 4.443 4.470 0.001 0.000 0.221 328 S C 2.032 176.542 174.600 -0.149 0.000 1.033 328 S CA 0.962 59.084 58.200 -0.131 0.000 1.010 328 S CB -0.437 62.865 63.200 0.170 0.000 0.891 328 S HN 0.438 nan 8.310 nan 0.000 0.442 329 I N 1.397 121.929 120.570 -0.064 0.000 2.118 329 I HA -0.267 3.904 4.170 0.001 0.000 0.241 329 I C 2.357 178.408 176.117 -0.109 0.000 1.070 329 I CA 1.166 62.426 61.300 -0.066 0.000 1.327 329 I CB -0.358 37.615 38.000 -0.045 0.000 1.034 329 I HN 0.302 nan 8.210 nan 0.000 0.405 330 M N -0.088 119.437 119.600 -0.124 0.000 2.200 330 M HA -0.115 4.366 4.480 0.001 0.000 0.265 330 M C 2.214 178.404 176.300 -0.184 0.000 1.066 330 M CA 1.464 56.672 55.300 -0.153 0.000 1.127 330 M CB -1.176 31.336 32.600 -0.148 0.000 1.379 330 M HN 0.166 nan 8.290 nan 0.000 0.420 331 K N 0.669 120.939 120.400 -0.217 0.000 2.025 331 K HA -0.135 4.185 4.320 0.001 0.000 0.207 331 K C 2.196 178.677 176.600 -0.199 0.000 1.049 331 K CA 1.178 57.326 56.287 -0.232 0.000 0.933 331 K CB -0.210 32.102 32.500 -0.313 0.000 0.714 331 K HN 0.226 nan 8.250 nan 0.000 0.438 332 R N 0.805 121.167 120.500 -0.229 0.000 2.080 332 R HA -0.200 4.140 4.340 0.001 0.000 0.236 332 R C 2.129 178.379 176.300 -0.084 0.000 1.137 332 R CA 2.223 58.260 56.100 -0.106 0.000 0.943 332 R CB -0.390 29.879 30.300 -0.052 0.000 0.846 332 R HN 0.224 nan 8.270 nan 0.000 0.431 333 N N -0.175 118.464 118.700 -0.101 0.000 2.043 333 N HA -0.137 4.604 4.740 0.001 0.000 0.193 333 N C 1.634 177.080 175.510 -0.106 0.000 1.037 333 N CA 2.353 55.345 53.050 -0.096 0.000 0.851 333 N CB -0.166 38.258 38.487 -0.105 0.000 1.027 333 N HN 0.095 nan 8.380 nan 0.000 0.422 334 S N -0.838 114.782 115.700 -0.133 0.000 2.370 334 S HA -0.144 4.326 4.470 0.001 0.000 0.226 334 S C 2.231 176.771 174.600 -0.100 0.000 1.033 334 S CA 1.171 59.288 58.200 -0.137 0.000 1.011 334 S CB -0.551 62.543 63.200 -0.176 0.000 0.852 334 S HN 0.539 nan 8.310 nan 0.000 0.457 335 C N 1.188 120.438 119.300 -0.083 0.000 2.476 335 C HA 0.078 4.539 4.460 0.001 0.000 0.278 335 C C 2.988 177.954 174.990 -0.040 0.000 1.274 335 C CA 0.355 59.342 59.018 -0.052 0.000 1.713 335 C CB -1.700 26.020 27.740 -0.033 0.000 2.039 335 C HN 0.713 nan 8.230 nan 0.000 0.484 336 G N 0.816 109.591 108.800 -0.041 0.000 2.446 336 G HA2 -0.199 3.761 3.960 0.001 0.000 0.217 336 G HA3 -0.199 3.761 3.960 0.001 0.000 0.217 336 G C 1.710 176.583 174.900 -0.046 0.000 1.168 336 G CA 0.824 45.903 45.100 -0.035 0.000 0.771 336 G HN 0.419 nan 8.290 nan 0.000 0.551 337 K N 0.967 121.329 120.400 -0.063 0.000 2.025 337 K HA 0.098 4.418 4.320 0.001 0.000 0.207 337 K C 2.922 179.478 176.600 -0.074 0.000 1.049 337 K CA 1.129 57.371 56.287 -0.075 0.000 0.933 337 K CB -0.961 31.482 32.500 -0.095 0.000 0.714 337 K HN 0.249 nan 8.250 nan 0.000 0.438 338 A N 1.678 124.455 122.820 -0.072 0.000 1.917 338 A HA -0.187 4.133 4.320 0.001 0.000 0.219 338 A C 2.233 179.790 177.584 -0.044 0.000 1.182 338 A CA 1.554 53.553 52.037 -0.063 0.000 0.633 338 A CB -0.634 18.332 19.000 -0.057 0.000 0.819 338 A HN 0.232 nan 8.150 nan 0.000 0.448 339 L N 0.149 121.352 121.223 -0.033 0.000 1.994 339 L HA -0.151 4.190 4.340 0.001 0.000 0.208 339 L C 1.742 178.598 176.870 -0.022 0.000 1.071 339 L CA 2.602 57.432 54.840 -0.018 0.000 0.745 339 L CB -0.818 41.235 42.059 -0.009 0.000 0.892 339 L HN 0.359 nan 8.230 nan 0.000 0.431 340 D N -0.084 120.297 120.400 -0.031 0.000 2.116 340 D HA -0.247 4.394 4.640 0.001 0.000 0.193 340 D C 2.331 178.607 176.300 -0.039 0.000 0.998 340 D CA 2.158 56.138 54.000 -0.034 0.000 0.836 340 D CB -0.277 40.497 40.800 -0.043 0.000 0.951 340 D HN 0.449 nan 8.370 nan 0.000 0.449 341 I N 1.191 121.730 120.570 -0.053 0.000 2.208 341 I HA -0.277 3.894 4.170 0.001 0.000 0.245 341 I C 2.502 178.597 176.117 -0.036 0.000 1.097 341 I CA 1.142 62.408 61.300 -0.056 0.000 1.363 341 I CB -0.203 37.751 38.000 -0.077 0.000 1.051 341 I HN -0.068 nan 8.210 nan 0.000 0.413 342 A N 0.638 123.438 122.820 -0.033 0.000 1.940 342 A HA -0.221 4.100 4.320 0.001 0.000 0.219 342 A C 2.389 179.964 177.584 -0.014 0.000 1.176 342 A CA 1.608 53.632 52.037 -0.021 0.000 0.631 342 A CB -0.538 18.459 19.000 -0.005 0.000 0.814 342 A HN 0.332 nan 8.150 nan 0.000 0.446 343 R N -1.350 119.143 120.500 -0.013 0.000 2.062 343 R HA -0.025 4.315 4.340 0.001 0.000 0.229 343 R C 1.984 178.275 176.300 -0.014 0.000 1.128 343 R CA 1.057 57.152 56.100 -0.009 0.000 0.960 343 R CB -0.502 29.794 30.300 -0.006 0.000 0.855 343 R HN 0.381 nan 8.270 nan 0.000 0.432 344 L N 0.883 122.094 121.223 -0.019 0.000 1.997 344 L HA -0.241 4.100 4.340 0.001 0.000 0.216 344 L C 2.412 179.270 176.870 -0.022 0.000 1.074 344 L CA 2.176 57.005 54.840 -0.018 0.000 0.763 344 L CB -1.198 40.847 42.059 -0.023 0.000 0.890 344 L HN 0.210 nan 8.230 nan 0.000 0.434 345 A N -0.950 121.855 122.820 -0.024 0.000 1.865 345 A HA -0.283 4.037 4.320 0.001 0.000 0.217 345 A C 2.428 179.957 177.584 -0.091 0.000 1.191 345 A CA 1.985 53.995 52.037 -0.044 0.000 0.623 345 A CB -0.569 18.410 19.000 -0.035 0.000 0.826 345 A HN 0.378 nan 8.150 nan 0.000 0.444 346 R N 0.568 121.030 120.500 -0.063 0.000 2.096 346 R HA -0.171 4.170 4.340 0.001 0.000 0.240 346 R C 1.165 177.434 176.300 -0.052 0.000 1.139 346 R CA 2.310 58.378 56.100 -0.053 0.000 0.952 346 R CB -0.824 29.478 30.300 0.004 0.000 0.854 346 R HN 0.508 nan 8.270 nan 0.000 0.436 347 D N -0.550 119.831 120.400 -0.032 0.000 2.312 347 D HA -0.089 4.551 4.640 0.001 0.000 0.211 347 D C 1.644 177.928 176.300 -0.028 0.000 0.964 347 D CA 1.044 55.035 54.000 -0.016 0.000 0.877 347 D CB -0.059 40.739 40.800 -0.003 0.000 0.924 347 D HN 0.375 nan 8.370 nan 0.000 0.515 348 M N -0.181 119.383 119.600 -0.061 0.000 2.388 348 M HA 0.049 4.529 4.480 0.001 0.000 0.265 348 M C 0.582 176.795 176.300 -0.145 0.000 1.088 348 M CA 0.436 55.703 55.300 -0.056 0.000 1.134 348 M CB 0.254 32.834 32.600 -0.035 0.000 1.384 348 M HN -0.131 nan 8.290 nan 0.000 0.447 349 L N 0.154 121.175 121.223 -0.336 0.000 2.417 349 L HA 0.311 4.652 4.340 0.001 0.000 0.268 349 L C 0.958 177.708 176.870 -0.200 0.000 1.158 349 L CA -0.791 53.653 54.840 -0.660 0.000 0.819 349 L CB 0.058 41.554 42.059 -0.939 0.000 1.112 349 L HN 0.088 nan 8.230 nan 0.000 0.458 356 D N 2.261 122.723 120.400 0.104 0.000 2.116 356 D HA -0.185 4.455 4.640 0.001 0.000 0.193 356 D C 2.113 178.429 176.300 0.027 0.000 0.998 356 D CA 1.947 55.984 54.000 0.061 0.000 0.836 356 D CB -0.034 40.793 40.800 0.045 0.000 0.951 356 D HN 0.789 nan 8.370 nan 0.000 0.449 357 E N 0.066 120.251 120.200 -0.025 0.000 2.187 357 E HA -0.241 4.109 4.350 0.001 0.000 0.199 357 E C 1.298 177.713 176.600 -0.309 0.000 1.004 357 E CA 0.944 57.224 56.400 -0.200 0.000 0.813 357 E CB -0.777 28.718 29.700 -0.342 0.000 0.736 357 E HN 0.354 nan 8.360 nan 0.000 0.468 358 F N 1.586 121.511 119.950 -0.041 0.000 2.725 358 F HA 0.264 4.791 4.527 0.001 0.000 0.303 358 F C 2.183 177.940 175.800 -0.072 0.000 1.167 358 F CA 0.387 58.351 58.000 -0.060 0.000 1.403 358 F CB 0.051 39.020 39.000 -0.053 0.000 1.077 358 F HN 0.089 nan 8.300 nan 0.000 0.537 359 G N -0.157 108.670 108.800 0.045 0.000 2.462 359 G HA2 -0.194 3.766 3.960 0.001 0.000 0.220 359 G HA3 -0.194 3.766 3.960 0.001 0.000 0.220 359 G C 1.821 176.745 174.900 0.041 0.000 1.121 359 G CA 1.005 46.105 45.100 -0.000 0.000 0.758 359 G HN 0.278 nan 8.290 nan 0.000 0.559 360 V N 1.386 121.321 119.914 0.035 0.000 2.295 360 V HA -0.151 3.969 4.120 0.001 0.000 0.246 360 V C 3.311 179.430 176.094 0.043 0.000 1.049 360 V CA 2.006 64.329 62.300 0.039 0.000 1.024 360 V CB -0.806 30.976 31.823 -0.069 0.000 0.648 360 V HN 0.470 nan 8.190 nan 0.000 0.447 361 A N -0.003 122.856 122.820 0.065 0.000 1.940 361 A HA -0.279 4.042 4.320 0.001 0.000 0.219 361 A C 2.396 179.945 177.584 -0.059 0.000 1.176 361 A CA 2.194 54.264 52.037 0.057 0.000 0.631 361 A CB -0.568 18.512 19.000 0.134 0.000 0.814 361 A HN 0.530 nan 8.150 nan 0.000 0.446 362 R N -1.298 119.078 120.500 -0.207 0.000 2.062 362 R HA -0.178 4.163 4.340 0.001 0.000 0.231 362 R C 2.048 178.126 176.300 -0.371 0.000 1.136 362 R CA 1.897 57.670 56.100 -0.544 0.000 0.948 362 R CB -0.525 29.241 30.300 -0.891 0.000 0.845 362 R HN 0.680 nan 8.270 nan 0.000 0.430 363 H N -0.061 118.889 119.070 -0.201 0.000 2.353 363 H HA -0.176 4.380 4.556 0.001 0.000 0.298 363 H C 1.880 177.165 175.328 -0.072 0.000 1.103 363 H CA 1.792 57.769 56.048 -0.118 0.000 1.293 363 H CB -0.015 29.696 29.762 -0.084 0.000 1.372 363 H HN 0.155 nan 8.280 nan 0.000 0.501 364 L N 0.814 122.074 121.223 0.062 0.000 2.017 364 L HA -0.149 4.192 4.340 0.001 0.000 0.208 364 L C 2.353 179.244 176.870 0.034 0.000 1.073 364 L CA 1.546 56.410 54.840 0.040 0.000 0.745 364 L CB -0.715 41.364 42.059 0.033 0.000 0.894 364 L HN 0.290 nan 8.230 nan 0.000 0.432 365 V N -2.630 117.304 119.914 0.032 0.000 2.515 365 V HA -0.221 3.900 4.120 0.001 0.000 0.250 365 V C 2.132 178.272 176.094 0.076 0.000 1.058 365 V CA 2.065 64.408 62.300 0.071 0.000 1.064 365 V CB -1.534 30.375 31.823 0.143 0.000 0.675 365 V HN 0.565 nan 8.190 nan 0.000 0.461 366 N N 0.961 119.694 118.700 0.056 0.000 2.069 366 N HA -0.097 4.643 4.740 0.001 0.000 0.191 366 N C 1.847 177.385 175.510 0.047 0.000 1.031 366 N CA 1.799 54.881 53.050 0.054 0.000 0.852 366 N CB -0.339 38.152 38.487 0.005 0.000 1.018 366 N HN 0.424 nan 8.380 nan 0.000 0.423 367 L N 0.992 122.242 121.223 0.044 0.000 2.217 367 L HA -0.096 4.245 4.340 0.001 0.000 0.211 367 L C 2.023 178.911 176.870 0.031 0.000 1.107 367 L CA 0.922 55.783 54.840 0.035 0.000 0.783 367 L CB -0.226 41.851 42.059 0.029 0.000 0.919 367 L HN 0.204 nan 8.230 nan 0.000 0.442 368 E N -0.409 119.811 120.200 0.032 0.000 2.077 368 E HA -0.182 4.168 4.350 0.001 0.000 0.193 368 E C 2.257 178.873 176.600 0.026 0.000 0.989 368 E CA 1.241 57.657 56.400 0.026 0.000 0.800 368 E CB 0.009 29.724 29.700 0.024 0.000 0.746 368 E HN 0.249 nan 8.360 nan 0.000 0.452 369 V N 0.528 120.462 119.914 0.034 0.000 2.270 369 V HA -0.220 3.901 4.120 0.001 0.000 0.245 369 V C 2.294 178.450 176.094 0.103 0.000 1.043 369 V CA 1.265 63.589 62.300 0.040 0.000 1.014 369 V CB -0.362 31.485 31.823 0.039 0.000 0.645 369 V HN 0.140 nan 8.190 nan 0.000 0.447 370 V N 0.735 120.701 119.914 0.087 0.000 2.392 370 V HA -0.299 3.822 4.120 0.001 0.000 0.249 370 V C 2.309 178.453 176.094 0.084 0.000 1.059 370 V CA 2.519 64.863 62.300 0.074 0.000 1.051 370 V CB -0.990 30.845 31.823 0.019 0.000 0.658 370 V HN 0.629 nan 8.190 nan 0.000 0.455 371 N N 0.197 118.933 118.700 0.061 0.000 2.331 371 N HA -0.124 4.616 4.740 0.001 0.000 0.180 371 N C 1.641 177.196 175.510 0.075 0.000 1.019 371 N CA 1.628 54.711 53.050 0.055 0.000 0.881 371 N CB -0.059 38.446 38.487 0.030 0.000 0.972 371 N HN 0.660 nan 8.380 nan 0.000 0.435 372 T N -3.835 110.764 114.554 0.075 0.000 3.069 372 T HA 0.050 4.400 4.350 0.001 0.000 0.252 372 T C 1.552 176.288 174.700 0.060 0.000 1.053 372 T CA -0.263 61.867 62.100 0.050 0.000 0.964 372 T CB -0.549 68.320 68.868 0.001 0.000 1.005 372 T HN 0.155 nan 8.240 nan 0.000 0.532 373 Y N 2.435 122.727 120.300 -0.012 0.000 2.256 373 Y HA -0.006 4.545 4.550 0.001 0.000 0.288 373 Y C 1.787 177.701 175.900 0.023 0.000 1.155 373 Y CA 1.336 59.425 58.100 -0.019 0.000 1.203 373 Y CB 0.037 38.495 38.460 -0.003 0.000 0.980 373 Y HN 0.321 nan 8.280 nan 0.000 0.530 374 E N 0.146 120.475 120.200 0.216 0.000 2.423 374 E HA 0.314 4.665 4.350 0.001 0.000 0.198 374 E C 0.313 176.982 176.600 0.116 0.000 1.038 374 E CA 0.272 56.776 56.400 0.175 0.000 1.011 374 E CB -0.095 29.717 29.700 0.188 0.000 1.118 374 E HN 0.466 nan 8.360 nan 0.000 0.451 375 G N 0.975 109.821 108.800 0.078 0.000 2.662 375 G HA2 -0.233 3.727 3.960 0.001 0.000 0.686 375 G HA3 -0.233 3.727 3.960 0.001 0.000 0.686 375 G C 0.395 175.357 174.900 0.103 0.000 1.271 375 G CA -0.315 44.842 45.100 0.095 0.000 0.816 375 G HN 0.159 nan 8.290 nan 0.000 0.608 376 T N -2.333 112.280 114.554 0.099 0.000 3.186 376 T HA 0.296 4.646 4.350 0.001 0.000 0.257 376 T C 1.067 175.844 174.700 0.128 0.000 1.029 376 T CA 1.183 63.332 62.100 0.082 0.000 0.916 376 T CB -0.138 68.756 68.868 0.044 0.000 1.041 376 T HN 1.551 nan 8.240 nan 0.000 0.562 377 H N 0.020 119.090 119.070 0.000 0.000 2.581 377 H HA 0.251 4.808 4.556 0.001 0.000 0.275 377 H C -0.261 175.066 175.328 -0.002 0.000 1.126 377 H CA -0.211 55.836 56.048 -0.001 0.000 1.097 377 H CB -0.374 29.386 29.762 -0.004 0.000 1.626 377 H HN 0.251 nan 8.280 nan 0.000 0.565 378 D N 1.776 122.074 120.400 -0.169 0.000 2.927 378 D HA -0.203 4.437 4.640 0.001 0.000 0.236 378 D C 1.492 177.583 176.300 -0.349 0.000 1.163 378 D CA 0.768 54.660 54.000 -0.180 0.000 0.801 378 D CB -1.532 39.208 40.800 -0.100 0.000 0.975 378 D HN 0.777 nan 8.370 nan 0.000 0.413 379 I N -1.602 118.734 120.570 -0.391 0.000 2.423 379 I HA -0.246 3.924 4.170 0.001 0.000 0.254 379 I C 1.886 177.807 176.117 -0.328 0.000 1.151 379 I CA 1.021 62.080 61.300 -0.402 0.000 1.421 379 I CB -0.290 37.543 38.000 -0.278 0.000 1.079 379 I HN 0.201 nan 8.210 nan 0.000 0.431 380 H N 1.600 120.636 119.070 -0.057 0.000 2.403 380 H HA 0.175 4.732 4.556 0.001 0.000 0.298 380 H C 2.560 177.867 175.328 -0.035 0.000 1.059 380 H CA 1.280 57.314 56.048 -0.024 0.000 1.363 380 H CB -0.242 29.514 29.762 -0.010 0.000 1.410 380 H HN 0.497 nan 8.280 nan 0.000 0.528 381 A N 1.674 124.518 122.820 0.040 0.000 1.884 381 A HA -0.191 4.129 4.320 0.001 0.000 0.219 381 A C 2.646 180.219 177.584 -0.018 0.000 1.197 381 A CA 1.720 53.756 52.037 -0.001 0.000 0.637 381 A CB -1.042 17.941 19.000 -0.029 0.000 0.827 381 A HN 0.281 nan 8.150 nan 0.000 0.450 382 L N -0.942 120.245 121.223 -0.060 0.000 2.027 382 L HA -0.142 4.198 4.340 0.001 0.000 0.206 382 L C 2.503 179.364 176.870 -0.015 0.000 1.074 382 L CA 1.269 56.080 54.840 -0.048 0.000 0.745 382 L CB -0.629 41.379 42.059 -0.086 0.000 0.898 382 L HN 0.336 nan 8.230 nan 0.000 0.433 383 I N -0.011 120.553 120.570 -0.010 0.000 2.145 383 I HA -0.361 3.809 4.170 0.001 0.000 0.244 383 I C 2.431 178.571 176.117 0.038 0.000 1.075 383 I CA 1.699 63.016 61.300 0.029 0.000 1.332 383 I CB -0.220 37.825 38.000 0.075 0.000 1.033 383 I HN 0.231 nan 8.210 nan 0.000 0.410 384 L N -0.400 120.847 121.223 0.041 0.000 2.131 384 L HA -0.039 4.302 4.340 0.001 0.000 0.206 384 L C 2.647 179.526 176.870 0.016 0.000 1.087 384 L CA 1.230 56.090 54.840 0.032 0.000 0.767 384 L CB -1.042 41.037 42.059 0.032 0.000 0.917 384 L HN 0.295 nan 8.230 nan 0.000 0.441 385 G N -0.319 108.486 108.800 0.008 0.000 2.421 385 G HA2 -0.261 3.699 3.960 0.001 0.000 0.216 385 G HA3 -0.261 3.699 3.960 0.001 0.000 0.216 385 G C 1.752 176.655 174.900 0.005 0.000 1.171 385 G CA 0.265 45.366 45.100 0.003 0.000 0.775 385 G HN 0.088 nan 8.290 nan 0.000 0.543 386 R N 1.022 121.525 120.500 0.006 0.000 2.096 386 R HA -0.103 4.238 4.340 0.001 0.000 0.240 386 R C 2.793 179.098 176.300 0.008 0.000 1.139 386 R CA 1.789 57.892 56.100 0.006 0.000 0.952 386 R CB -0.856 29.448 30.300 0.006 0.000 0.854 386 R HN 0.304 nan 8.270 nan 0.000 0.436 387 A N 0.244 123.071 122.820 0.012 0.000 2.067 387 A HA -0.142 4.179 4.320 0.001 0.000 0.219 387 A C 2.081 179.671 177.584 0.010 0.000 1.158 387 A CA 1.105 53.150 52.037 0.014 0.000 0.661 387 A CB -0.184 18.829 19.000 0.022 0.000 0.801 387 A HN 0.468 nan 8.150 nan 0.000 0.452 388 Q N -1.137 118.668 119.800 0.008 0.000 2.134 388 Q HA -0.075 4.265 4.340 0.001 0.000 0.195 388 Q C 2.385 178.387 176.000 0.004 0.000 0.958 388 Q CA 1.732 57.538 55.803 0.005 0.000 0.840 388 Q CB -0.083 28.657 28.738 0.004 0.000 0.918 388 Q HN 0.840 nan 8.270 nan 0.000 0.467 389 T N -3.727 110.829 114.554 0.003 0.000 2.937 389 T HA 0.151 4.502 4.350 0.001 0.000 0.260 389 T C 1.481 176.183 174.700 0.002 0.000 1.051 389 T CA 0.886 62.987 62.100 0.002 0.000 1.141 389 T CB 0.230 69.099 68.868 0.002 0.000 0.879 389 T HN 0.444 nan 8.240 nan 0.000 0.459 390 G N 1.186 109.988 108.800 0.003 0.000 2.157 390 G HA2 -0.161 3.799 3.960 0.001 0.000 0.239 390 G HA3 -0.161 3.799 3.960 0.001 0.000 0.239 390 G C -0.067 174.834 174.900 0.001 0.000 0.982 390 G CA 0.056 45.157 45.100 0.002 0.000 0.650 390 G HN 0.652 nan 8.290 nan 0.000 0.527 391 I N 0.847 121.419 120.570 0.002 0.000 2.418 391 I HA 0.383 4.553 4.170 0.001 0.000 0.287 391 I C 0.399 176.519 176.117 0.004 0.000 1.008 391 I CA -0.907 60.395 61.300 0.003 0.000 1.104 391 I CB 1.800 39.801 38.000 0.003 0.000 1.264 391 I HN 0.155 nan 8.210 nan 0.000 0.438 392 Q N 4.234 124.036 119.800 0.004 0.000 2.421 392 Q HA 0.466 4.806 4.340 0.001 0.000 0.255 392 Q C -0.006 176.000 176.000 0.010 0.000 1.013 392 Q CA 0.097 55.904 55.803 0.007 0.000 0.895 392 Q CB 1.186 29.928 28.738 0.006 0.000 1.271 392 Q HN 0.739 nan 8.270 nan 0.000 0.460 393 A N 0.000 122.829 122.820 0.015 0.000 2.254 393 A HA 0.000 4.320 4.320 0.001 0.000 0.244 393 A CA 0.000 52.049 52.037 0.020 0.000 0.836 393 A CB 0.000 19.013 19.000 0.022 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486