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 2gl7_1_D DATA FIRST_RESID 147 DATA SEQUENCE ELATRAIPEL TKLLNDEDQV VVNKAAVMVH QLSKKEASRH AIMRSPQMVS DATA SEQUENCE AIVRTMQNTN DVETARCTAG TLHNLSHHRE GLLAIFKSGG IPALVKMLGS DATA SEQUENCE PVDSVLFYAI TTLHNLLLHQ EGAKMAVRLA GGLQKMVALL NKTNVKFLAI DATA SEQUENCE TTDCLQILAY GNQESKLIIL ASGGPQALVN IMRTYTYEKL LWTTSRVLKV DATA SEQUENCE LSVCSSNKPA IVEAGGMQAL GLHLTDPSQR LVQNCLWTLR NLSDAATKQE DATA SEQUENCE GMEGLLGTLV QLLGSDDINV VTCAAGILSN LTCNNYKNKM MVCQVGGIEA DATA SEQUENCE LVRTVLRAGD REDITEPAIC ALRHLTSRHQ EAEMAQNAVR LHYGLPVVVK DATA SEQUENCE LLHPPSHWPL IKATVGLIRN LALCPANHAP LREQGAIPRL VQLLVRAHQD DATA SEQUENCE TQRXXXXXXX XXXFVEGVRM EEIVEGCTGA LHILARDVHN RIVIRGLNTI DATA SEQUENCE PLFVQLLYSP IENIQRVAAG VLCELAQDKE AAEAIEAEGA TAPLTELLHS DATA SEQUENCE RNEGVATYAA AVLFRM 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 147 E HA 0.000 nan 4.350 nan 0.000 0.291 147 E C 0.000 176.600 176.600 -0.000 0.000 1.382 147 E CA 0.000 56.398 56.400 -0.003 0.000 0.976 147 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 148 L N -0.437 120.786 121.223 -0.000 0.000 2.590 148 L HA 0.859 5.198 4.340 -0.001 0.000 0.227 148 L C 2.746 179.620 176.870 0.006 0.000 1.099 148 L CA 1.700 56.541 54.840 0.002 0.000 0.872 148 L CB -0.506 41.553 42.059 0.000 0.000 1.088 148 L HN 0.958 nan 8.230 nan 0.000 0.479 149 A N -0.784 122.041 122.820 0.008 0.000 2.119 149 A HA -0.030 4.289 4.320 -0.001 0.000 0.217 149 A C 2.368 179.962 177.584 0.015 0.000 1.153 149 A CA 1.824 53.869 52.037 0.013 0.000 0.692 149 A CB -0.835 18.175 19.000 0.017 0.000 0.799 149 A HN 0.522 nan 8.150 nan 0.000 0.458 150 T N -0.273 114.290 114.554 0.015 0.000 2.746 150 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 150 T C 2.050 176.757 174.700 0.012 0.000 1.039 150 T CA 1.570 63.679 62.100 0.015 0.000 1.142 150 T CB -0.196 68.681 68.868 0.015 0.000 0.866 150 T HN 0.523 nan 8.240 nan 0.000 0.444 151 R N 0.859 121.365 120.500 0.009 0.000 2.105 151 R HA -0.003 4.337 4.340 -0.001 0.000 0.239 151 R C 2.710 179.015 176.300 0.008 0.000 1.135 151 R CA 1.368 57.472 56.100 0.008 0.000 0.967 151 R CB -0.413 29.890 30.300 0.006 0.000 0.861 151 R HN 0.385 nan 8.270 nan 0.000 0.442 152 A N 0.462 123.288 122.820 0.010 0.000 1.968 152 A HA -0.091 4.229 4.320 -0.001 0.000 0.217 152 A C 2.076 179.667 177.584 0.011 0.000 1.169 152 A CA 0.980 53.023 52.037 0.010 0.000 0.638 152 A CB -0.325 18.682 19.000 0.011 0.000 0.812 152 A HN 0.211 nan 8.150 nan 0.000 0.446 153 I N 0.426 121.004 120.570 0.013 0.000 2.252 153 I HA -0.137 4.033 4.170 -0.001 0.000 0.245 153 I C -0.472 175.652 176.117 0.012 0.000 1.102 153 I CA 1.200 62.509 61.300 0.014 0.000 1.385 153 I CB -0.653 37.358 38.000 0.017 0.000 1.064 153 I HN 0.253 nan 8.210 nan 0.000 0.414 154 P HA -0.202 nan 4.420 nan 0.000 0.219 154 P C 1.270 178.575 177.300 0.008 0.000 1.146 154 P CA 1.514 64.619 63.100 0.008 0.000 0.808 154 P CB 0.063 31.768 31.700 0.007 0.000 0.779 155 E N -0.178 120.027 120.200 0.008 0.000 2.112 155 E HA -0.086 4.264 4.350 -0.001 0.000 0.190 155 E C 1.904 178.509 176.600 0.009 0.000 0.979 155 E CA 0.580 56.984 56.400 0.007 0.000 0.814 155 E CB -1.115 28.589 29.700 0.007 0.000 0.762 155 E HN -0.037 nan 8.360 nan 0.000 0.460 156 L N 0.478 121.707 121.223 0.010 0.000 2.191 156 L HA -0.112 4.228 4.340 -0.001 0.000 0.212 156 L C 2.183 179.059 176.870 0.011 0.000 1.103 156 L CA 1.745 56.592 54.840 0.012 0.000 0.769 156 L CB -0.861 41.207 42.059 0.015 0.000 0.908 156 L HN 0.184 nan 8.230 nan 0.000 0.438 157 T N -1.459 113.101 114.554 0.010 0.000 2.812 157 T HA -0.166 4.184 4.350 -0.001 0.000 0.264 157 T C 1.997 176.700 174.700 0.006 0.000 1.042 157 T CA 1.102 63.207 62.100 0.008 0.000 1.140 157 T CB 0.021 68.894 68.868 0.007 0.000 0.870 157 T HN 0.173 nan 8.240 nan 0.000 0.445 158 K N 0.612 121.016 120.400 0.006 0.000 2.097 158 K HA 0.061 4.380 4.320 -0.001 0.000 0.206 158 K C 2.026 178.628 176.600 0.004 0.000 1.049 158 K CA 0.971 57.260 56.287 0.004 0.000 0.933 158 K CB -0.230 32.272 32.500 0.004 0.000 0.717 158 K HN 0.259 nan 8.250 nan 0.000 0.442 159 L N 0.347 121.573 121.223 0.006 0.000 2.217 159 L HA -0.096 4.243 4.340 -0.001 0.000 0.211 159 L C 2.099 178.972 176.870 0.006 0.000 1.107 159 L CA 0.616 55.459 54.840 0.006 0.000 0.783 159 L CB -0.191 41.873 42.059 0.007 0.000 0.919 159 L HN 0.175 nan 8.230 nan 0.000 0.442 160 L N -0.166 121.061 121.223 0.006 0.000 2.141 160 L HA -0.160 4.179 4.340 -0.001 0.000 0.209 160 L C 1.185 178.056 176.870 0.003 0.000 1.094 160 L CA 1.414 56.257 54.840 0.005 0.000 0.763 160 L CB -0.238 41.825 42.059 0.006 0.000 0.908 160 L HN 0.421 nan 8.230 nan 0.000 0.437 161 N N -0.656 118.045 118.700 0.002 0.000 2.313 161 N HA -0.028 4.712 4.740 -0.001 0.000 0.207 161 N C -0.259 175.251 175.510 0.000 0.000 1.141 161 N CA -0.303 52.747 53.050 0.000 0.000 0.830 161 N CB 0.159 38.646 38.487 0.000 0.000 1.008 161 N HN 0.170 nan 8.380 nan 0.000 0.481 162 D N 0.672 121.073 120.400 0.001 0.000 2.341 162 D HA 0.108 4.748 4.640 -0.001 0.000 0.245 162 D C 1.300 177.600 176.300 -0.000 0.000 1.106 162 D CA 0.159 54.160 54.000 0.001 0.000 0.905 162 D CB 0.930 41.731 40.800 0.002 0.000 1.202 162 D HN 0.288 nan 8.370 nan 0.000 0.426 163 E N 2.806 123.006 120.200 -0.000 0.000 2.150 163 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 163 E C 0.703 177.302 176.600 -0.001 0.000 0.985 163 E CA 0.971 57.370 56.400 -0.001 0.000 0.814 163 E CB -0.330 29.370 29.700 -0.001 0.000 0.752 163 E HN 0.601 nan 8.360 nan 0.000 0.466 164 D N 0.235 120.635 120.400 -0.000 0.000 2.358 164 D HA 0.026 4.666 4.640 -0.001 0.000 0.258 164 D C 0.603 176.903 176.300 -0.000 0.000 1.223 164 D CA -0.175 53.825 54.000 -0.000 0.000 0.886 164 D CB 1.195 41.996 40.800 0.001 0.000 1.120 164 D HN 0.127 nan 8.370 nan 0.000 0.482 165 Q N 2.728 122.527 119.800 -0.001 0.000 2.245 165 Q HA -0.032 4.307 4.340 -0.001 0.000 0.201 165 Q C 1.991 177.990 176.000 -0.001 0.000 0.955 165 Q CA 0.514 56.316 55.803 -0.001 0.000 0.870 165 Q CB 0.144 28.881 28.738 -0.003 0.000 0.945 165 Q HN 0.445 nan 8.270 nan 0.000 0.461 166 V N 0.264 120.178 119.914 0.000 0.000 2.515 166 V HA -0.159 3.960 4.120 -0.001 0.000 0.250 166 V C 2.362 178.458 176.094 0.003 0.000 1.058 166 V CA 1.040 63.341 62.300 0.001 0.000 1.064 166 V CB -0.431 31.393 31.823 0.001 0.000 0.675 166 V HN 0.074 nan 8.190 nan 0.000 0.461 167 V N -0.381 119.535 119.914 0.003 0.000 2.358 167 V HA -0.192 3.928 4.120 -0.001 0.000 0.246 167 V C 2.423 178.520 176.094 0.005 0.000 1.047 167 V CA 1.687 63.990 62.300 0.004 0.000 1.035 167 V CB -0.306 31.519 31.823 0.004 0.000 0.658 167 V HN 0.406 nan 8.190 nan 0.000 0.452 168 V N 0.872 120.788 119.914 0.003 0.000 2.343 168 V HA -0.291 3.829 4.120 -0.001 0.000 0.247 168 V C 2.324 178.421 176.094 0.004 0.000 1.051 168 V CA 2.528 64.830 62.300 0.003 0.000 1.036 168 V CB -0.991 30.832 31.823 0.001 0.000 0.654 168 V HN 0.729 nan 8.190 nan 0.000 0.451 169 N N 0.687 119.389 118.700 0.003 0.000 2.223 169 N HA -0.172 4.568 4.740 -0.001 0.000 0.185 169 N C 1.749 177.265 175.510 0.010 0.000 1.016 169 N CA 1.921 54.973 53.050 0.004 0.000 0.863 169 N CB -0.261 38.227 38.487 0.002 0.000 0.983 169 N HN 0.445 nan 8.380 nan 0.000 0.429 170 K N 0.201 120.607 120.400 0.011 0.000 2.062 170 K HA 0.240 4.560 4.320 -0.001 0.000 0.205 170 K C 2.216 178.828 176.600 0.019 0.000 1.051 170 K CA 1.283 57.578 56.287 0.015 0.000 0.941 170 K CB -1.338 31.169 32.500 0.012 0.000 0.719 170 K HN 0.420 nan 8.250 nan 0.000 0.440 171 A N 0.985 123.815 122.820 0.016 0.000 1.969 171 A HA 0.320 4.640 4.320 -0.001 0.000 0.218 171 A C 2.749 180.349 177.584 0.026 0.000 1.169 171 A CA 1.802 53.851 52.037 0.019 0.000 0.635 171 A CB -0.669 18.340 19.000 0.015 0.000 0.810 171 A HN 0.808 nan 8.150 nan 0.000 0.445 172 A N -0.492 122.341 122.820 0.022 0.000 1.898 172 A HA 0.016 4.336 4.320 -0.001 0.000 0.216 172 A C 2.200 179.811 177.584 0.046 0.000 1.181 172 A CA 1.704 53.755 52.037 0.023 0.000 0.620 172 A CB -0.873 18.130 19.000 0.006 0.000 0.819 172 A HN 0.358 nan 8.150 nan 0.000 0.442 173 V N -0.335 119.607 119.914 0.047 0.000 2.343 173 V HA -0.295 3.824 4.120 -0.001 0.000 0.247 173 V C 2.581 178.730 176.094 0.092 0.000 1.051 173 V CA 2.285 64.631 62.300 0.076 0.000 1.036 173 V CB -0.612 31.244 31.823 0.055 0.000 0.654 173 V HN 0.698 nan 8.190 nan 0.000 0.451 174 M N -0.566 119.070 119.600 0.060 0.000 2.175 174 M HA -0.110 4.370 4.480 -0.001 0.000 0.264 174 M C 1.992 178.323 176.300 0.052 0.000 1.063 174 M CA 1.589 56.918 55.300 0.048 0.000 1.119 174 M CB -0.003 32.617 32.600 0.033 0.000 1.377 174 M HN 0.212 nan 8.290 nan 0.000 0.415 175 V N -0.670 119.280 119.914 0.061 0.000 2.667 175 V HA -0.267 3.853 4.120 -0.001 0.000 0.252 175 V C 2.357 178.504 176.094 0.089 0.000 1.065 175 V CA 1.792 64.129 62.300 0.060 0.000 1.083 175 V CB -1.121 30.732 31.823 0.050 0.000 0.692 175 V HN 0.596 nan 8.190 nan 0.000 0.468 176 H N -0.397 118.676 119.070 0.005 0.000 2.395 176 H HA -0.110 4.445 4.556 -0.001 0.000 0.299 176 H C 2.354 177.693 175.328 0.019 0.000 1.070 176 H CA 1.179 57.228 56.048 0.002 0.000 1.356 176 H CB 0.395 30.154 29.762 -0.004 0.000 1.401 176 H HN 0.343 nan 8.280 nan 0.000 0.524 177 Q N 0.521 120.304 119.800 -0.029 0.000 2.084 177 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 177 Q C 2.559 178.526 176.000 -0.055 0.000 0.978 177 Q CA 0.655 56.418 55.803 -0.066 0.000 0.844 177 Q CB -0.269 28.469 28.738 0.000 0.000 0.898 177 Q HN 0.382 nan 8.270 nan 0.000 0.426 178 L N 0.837 122.050 121.223 -0.017 0.000 2.093 178 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 178 L C 2.367 179.236 176.870 -0.002 0.000 1.085 178 L CA 1.801 56.641 54.840 -0.000 0.000 0.755 178 L CB -0.825 41.245 42.059 0.017 0.000 0.904 178 L HN 0.220 nan 8.230 nan 0.000 0.435 179 S N -1.709 113.979 115.700 -0.019 0.000 2.507 179 S HA -0.143 4.326 4.470 -0.001 0.000 0.235 179 S C 1.895 176.487 174.600 -0.013 0.000 0.988 179 S CA 0.632 58.831 58.200 -0.002 0.000 0.944 179 S CB -0.260 62.947 63.200 0.011 0.000 0.762 179 S HN 0.371 nan 8.310 nan 0.000 0.526 180 K N 1.071 121.431 120.400 -0.066 0.000 2.076 180 K HA 0.134 4.454 4.320 -0.001 0.000 0.204 180 K C 0.454 177.064 176.600 0.017 0.000 1.051 180 K CA 0.742 57.006 56.287 -0.040 0.000 0.949 180 K CB 0.023 32.472 32.500 -0.084 0.000 0.726 180 K HN 0.337 nan 8.250 nan 0.000 0.443 181 K N 1.105 121.514 120.400 0.015 0.000 2.185 181 K HA 0.041 4.360 4.320 -0.001 0.000 0.271 181 K C 0.739 177.371 176.600 0.054 0.000 1.013 181 K CA -0.176 56.128 56.287 0.028 0.000 0.943 181 K CB 1.237 33.745 32.500 0.013 0.000 0.998 181 K HN 0.008 nan 8.250 nan 0.000 0.468 182 E N 2.000 122.231 120.200 0.052 0.000 2.106 182 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 182 E C 1.542 178.176 176.600 0.057 0.000 0.984 182 E CA 1.307 57.751 56.400 0.073 0.000 0.806 182 E CB 0.144 29.858 29.700 0.024 0.000 0.750 182 E HN 0.733 nan 8.360 nan 0.000 0.458 183 A N 1.017 123.836 122.820 -0.002 0.000 1.855 183 A HA -0.160 4.160 4.320 -0.001 0.000 0.215 183 A C 2.342 179.948 177.584 0.038 0.000 1.191 183 A CA 2.066 54.085 52.037 -0.030 0.000 0.613 183 A CB -0.687 18.292 19.000 -0.035 0.000 0.829 183 A HN 0.389 nan 8.150 nan 0.000 0.442 184 S N -0.519 115.207 115.700 0.043 0.000 2.447 184 S HA -0.105 4.364 4.470 -0.001 0.000 0.233 184 S C 1.945 176.589 174.600 0.073 0.000 1.006 184 S CA 0.921 59.151 58.200 0.049 0.000 0.957 184 S CB -0.373 62.845 63.200 0.030 0.000 0.773 184 S HN 0.553 nan 8.310 nan 0.000 0.507 185 R N 0.759 121.320 120.500 0.103 0.000 2.066 185 R HA -0.125 4.215 4.340 -0.001 0.000 0.232 185 R C 2.008 178.371 176.300 0.106 0.000 1.131 185 R CA 1.660 57.826 56.100 0.110 0.000 0.955 185 R CB -0.501 29.888 30.300 0.149 0.000 0.851 185 R HN 0.493 nan 8.270 nan 0.000 0.432 186 H N -0.202 118.870 119.070 0.003 0.000 2.422 186 H HA -0.046 4.509 4.556 -0.000 0.000 0.298 186 H C 1.817 177.146 175.328 0.000 0.000 1.098 186 H CA 1.733 57.776 56.048 -0.009 0.000 1.315 186 H CB -0.096 29.649 29.762 -0.028 0.000 1.382 186 H HN 0.382 nan 8.280 nan 0.000 0.523 187 A N 0.163 123.056 122.820 0.122 0.000 1.929 187 A HA -0.068 4.251 4.320 -0.001 0.000 0.216 187 A C 2.348 179.958 177.584 0.043 0.000 1.176 187 A CA 1.183 53.261 52.037 0.068 0.000 0.628 187 A CB -0.518 18.513 19.000 0.051 0.000 0.816 187 A HN 0.342 nan 8.150 nan 0.000 0.444 188 I N -0.141 120.453 120.570 0.041 0.000 2.202 188 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 188 I C 2.686 178.813 176.117 0.017 0.000 1.091 188 I CA 1.941 63.258 61.300 0.028 0.000 1.368 188 I CB -0.336 37.682 38.000 0.030 0.000 1.058 188 I HN 0.572 nan 8.210 nan 0.000 0.410 189 M N -0.324 119.279 119.600 0.005 0.000 2.296 189 M HA -0.055 4.424 4.480 -0.001 0.000 0.265 189 M C 1.911 178.208 176.300 -0.005 0.000 1.064 189 M CA 1.660 56.954 55.300 -0.011 0.000 1.109 189 M CB -0.442 32.128 32.600 -0.049 0.000 1.396 189 M HN -0.077 nan 8.290 nan 0.000 0.430 190 R N 0.414 120.916 120.500 0.004 0.000 2.275 190 R HA 0.196 4.536 4.340 -0.001 0.000 0.199 190 R C 0.392 176.700 176.300 0.013 0.000 0.989 190 R CA 0.423 56.529 56.100 0.011 0.000 1.016 190 R CB -0.095 30.219 30.300 0.024 0.000 0.918 190 R HN 0.500 nan 8.270 nan 0.000 0.473 191 S N 1.993 117.701 115.700 0.014 0.000 2.434 191 S HA 0.247 4.717 4.470 -0.001 0.000 0.318 191 S C -1.755 172.851 174.600 0.010 0.000 1.062 191 S CA -1.793 56.415 58.200 0.012 0.000 1.116 191 S CB 1.227 64.436 63.200 0.014 0.000 0.977 191 S HN -0.026 nan 8.310 nan 0.000 0.480 192 P HA -0.030 nan 4.420 nan 0.000 0.229 192 P C 0.736 178.038 177.300 0.003 0.000 1.160 192 P CA 0.697 63.800 63.100 0.005 0.000 0.777 192 P CB 0.252 31.955 31.700 0.004 0.000 0.814 193 Q N -1.067 118.736 119.800 0.004 0.000 2.172 193 Q HA -0.032 4.308 4.340 -0.001 0.000 0.200 193 Q C 2.208 178.210 176.000 0.004 0.000 0.964 193 Q CA 1.236 57.040 55.803 0.002 0.000 0.855 193 Q CB -0.781 27.959 28.738 0.003 0.000 0.918 193 Q HN 0.160 nan 8.270 nan 0.000 0.444 194 M N -0.573 119.031 119.600 0.007 0.000 2.123 194 M HA -0.062 4.417 4.480 -0.001 0.000 0.263 194 M C 1.635 177.940 176.300 0.008 0.000 1.069 194 M CA 1.306 56.612 55.300 0.009 0.000 1.133 194 M CB -0.139 32.469 32.600 0.013 0.000 1.356 194 M HN 0.028 nan 8.290 nan 0.000 0.415 195 V N -0.367 119.552 119.914 0.008 0.000 2.427 195 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 195 V C 2.325 178.421 176.094 0.003 0.000 1.051 195 V CA 1.942 64.246 62.300 0.007 0.000 1.048 195 V CB -0.941 30.887 31.823 0.009 0.000 0.666 195 V HN 0.531 nan 8.190 nan 0.000 0.456 196 S N 0.210 115.910 115.700 -0.001 0.000 2.383 196 S HA -0.133 4.337 4.470 -0.001 0.000 0.227 196 S C 2.222 176.820 174.600 -0.004 0.000 1.026 196 S CA 1.336 59.532 58.200 -0.006 0.000 0.981 196 S CB -0.395 62.800 63.200 -0.009 0.000 0.818 196 S HN 0.652 nan 8.310 nan 0.000 0.472 197 A N 1.245 124.064 122.820 -0.001 0.000 1.933 197 A HA -0.023 4.297 4.320 -0.001 0.000 0.218 197 A C 2.028 179.612 177.584 0.001 0.000 1.175 197 A CA 1.099 53.136 52.037 0.000 0.000 0.628 197 A CB -0.624 18.377 19.000 0.003 0.000 0.814 197 A HN 0.489 nan 8.150 nan 0.000 0.444 198 I N -0.698 119.873 120.570 0.003 0.000 2.252 198 I HA -0.187 3.982 4.170 -0.001 0.000 0.245 198 I C 2.331 178.447 176.117 -0.002 0.000 1.102 198 I CA 0.936 62.237 61.300 0.002 0.000 1.385 198 I CB -0.254 37.749 38.000 0.006 0.000 1.064 198 I HN 0.144 nan 8.210 nan 0.000 0.414 199 V N 0.666 120.579 119.914 -0.001 0.000 2.295 199 V HA -0.278 3.842 4.120 -0.001 0.000 0.246 199 V C 2.633 178.725 176.094 -0.004 0.000 1.049 199 V CA 1.866 64.165 62.300 -0.002 0.000 1.024 199 V CB -0.725 31.096 31.823 -0.005 0.000 0.648 199 V HN 0.382 nan 8.190 nan 0.000 0.447 200 R N -0.339 120.158 120.500 -0.005 0.000 2.073 200 R HA -0.167 4.173 4.340 -0.001 0.000 0.234 200 R C 2.396 178.693 176.300 -0.005 0.000 1.134 200 R CA 2.136 58.232 56.100 -0.006 0.000 0.952 200 R CB -0.470 29.826 30.300 -0.006 0.000 0.850 200 R HN 0.518 nan 8.270 nan 0.000 0.433 201 T N 1.210 115.762 114.554 -0.005 0.000 2.777 201 T HA -0.167 4.182 4.350 -0.001 0.000 0.266 201 T C 1.681 176.377 174.700 -0.007 0.000 1.040 201 T CA 1.472 63.569 62.100 -0.005 0.000 1.141 201 T CB -0.132 68.734 68.868 -0.004 0.000 0.868 201 T HN 0.287 nan 8.240 nan 0.000 0.444 202 M N 0.836 120.431 119.600 -0.008 0.000 2.082 202 M HA -0.223 4.256 4.480 -0.001 0.000 0.258 202 M C 2.432 178.729 176.300 -0.005 0.000 1.069 202 M CA 1.792 57.087 55.300 -0.008 0.000 1.102 202 M CB -0.212 32.384 32.600 -0.006 0.000 1.336 202 M HN 0.190 nan 8.290 nan 0.000 0.404 203 Q N 0.071 119.869 119.800 -0.003 0.000 2.167 203 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 203 Q C 1.136 177.134 176.000 -0.004 0.000 0.970 203 Q CA 1.821 57.623 55.803 -0.002 0.000 0.855 203 Q CB -0.079 28.658 28.738 -0.002 0.000 0.911 203 Q HN 0.830 nan 8.270 nan 0.000 0.438 204 N N -1.879 116.818 118.700 -0.006 0.000 2.171 204 N HA 0.014 4.754 4.740 -0.001 0.000 0.212 204 N C 0.095 175.601 175.510 -0.007 0.000 1.184 204 N CA -0.142 52.904 53.050 -0.006 0.000 0.888 204 N CB 0.511 38.995 38.487 -0.006 0.000 1.038 204 N HN -0.150 nan 8.380 nan 0.000 0.517 205 T N 0.470 115.019 114.554 -0.008 0.000 2.900 205 T HA 0.088 4.437 4.350 -0.001 0.000 0.307 205 T C 0.664 175.357 174.700 -0.011 0.000 1.065 205 T CA 0.046 62.141 62.100 -0.010 0.000 1.105 205 T CB 0.647 69.508 68.868 -0.012 0.000 0.979 205 T HN 0.172 nan 8.240 nan 0.000 0.544 206 N N 2.206 120.899 118.700 -0.011 0.000 2.184 206 N HA 0.087 4.827 4.740 -0.001 0.000 0.206 206 N C -0.703 174.798 175.510 -0.015 0.000 1.151 206 N CA -0.075 52.967 53.050 -0.013 0.000 0.878 206 N CB 0.534 39.014 38.487 -0.011 0.000 1.014 206 N HN 0.642 nan 8.380 nan 0.000 0.512 207 D N -0.057 120.334 120.400 -0.015 0.000 2.198 207 D HA 0.168 4.807 4.640 -0.001 0.000 0.245 207 D C 1.301 177.589 176.300 -0.021 0.000 1.079 207 D CA -0.379 53.612 54.000 -0.016 0.000 0.854 207 D CB 2.055 42.847 40.800 -0.013 0.000 1.148 207 D HN -0.306 nan 8.370 nan 0.000 0.456 208 V N 3.509 123.408 119.914 -0.024 0.000 2.453 208 V HA -0.122 3.998 4.120 -0.001 0.000 0.247 208 V C 2.152 178.228 176.094 -0.030 0.000 1.048 208 V CA 1.509 63.790 62.300 -0.031 0.000 1.049 208 V CB -0.539 31.262 31.823 -0.036 0.000 0.672 208 V HN 0.723 nan 8.190 nan 0.000 0.457 209 E N -0.009 120.177 120.200 -0.023 0.000 2.106 209 E HA -0.203 4.147 4.350 -0.001 0.000 0.192 209 E C 2.195 178.777 176.600 -0.029 0.000 0.984 209 E CA 1.734 58.121 56.400 -0.021 0.000 0.806 209 E CB -0.012 29.681 29.700 -0.011 0.000 0.750 209 E HN 0.581 nan 8.360 nan 0.000 0.458 210 T N 0.232 114.771 114.554 -0.025 0.000 2.857 210 T HA -0.018 4.332 4.350 -0.001 0.000 0.266 210 T C 1.769 176.447 174.700 -0.036 0.000 1.048 210 T CA 0.964 63.048 62.100 -0.027 0.000 1.139 210 T CB -0.112 68.746 68.868 -0.016 0.000 0.874 210 T HN 0.287 nan 8.240 nan 0.000 0.455 211 A N 1.638 124.440 122.820 -0.031 0.000 1.930 211 A HA -0.061 4.258 4.320 -0.001 0.000 0.217 211 A C 2.304 179.870 177.584 -0.029 0.000 1.175 211 A CA 1.321 53.342 52.037 -0.027 0.000 0.627 211 A CB -0.494 18.492 19.000 -0.023 0.000 0.815 211 A HN 0.331 nan 8.150 nan 0.000 0.443 212 R N -0.726 119.755 120.500 -0.032 0.000 2.081 212 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 212 R C 2.137 178.347 176.300 -0.150 0.000 1.131 212 R CA 1.902 57.996 56.100 -0.009 0.000 0.960 212 R CB -0.528 29.768 30.300 -0.007 0.000 0.856 212 R HN 0.594 nan 8.270 nan 0.000 0.436 213 C N -0.319 118.854 119.300 -0.211 0.000 2.466 213 C HA -0.035 4.424 4.460 -0.001 0.000 0.278 213 C C 2.862 177.681 174.990 -0.285 0.000 1.288 213 C CA 1.286 60.068 59.018 -0.394 0.000 1.722 213 C CB -0.796 26.847 27.740 -0.163 0.000 2.017 213 C HN 0.687 nan 8.230 nan 0.000 0.488 214 T N 0.668 115.141 114.554 -0.135 0.000 2.737 214 T HA -0.098 4.252 4.350 -0.001 0.000 0.265 214 T C 2.022 176.663 174.700 -0.099 0.000 1.038 214 T CA 1.625 63.679 62.100 -0.076 0.000 1.144 214 T CB -0.638 68.207 68.868 -0.038 0.000 0.866 214 T HN 0.482 nan 8.240 nan 0.000 0.434 215 A N 2.018 124.770 122.820 -0.113 0.000 1.908 215 A HA 0.180 4.500 4.320 -0.001 0.000 0.218 215 A C 2.753 180.116 177.584 -0.368 0.000 1.181 215 A CA 1.828 53.796 52.037 -0.116 0.000 0.627 215 A CB -1.658 17.355 19.000 0.021 0.000 0.818 215 A HN 0.633 nan 8.150 nan 0.000 0.445 216 G N -1.501 106.883 108.800 -0.693 0.000 2.422 216 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.218 216 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.218 216 G C 1.521 176.306 174.900 -0.193 0.000 1.140 216 G CA 1.586 46.061 45.100 -1.042 0.000 0.775 216 G HN 0.440 nan 8.290 nan 0.000 0.545 217 T N 1.330 115.880 114.554 -0.006 0.000 2.737 217 T HA -0.003 4.347 4.350 -0.001 0.000 0.265 217 T C 2.408 177.118 174.700 0.016 0.000 1.038 217 T CA 0.715 62.883 62.100 0.113 0.000 1.144 217 T CB -0.198 68.724 68.868 0.090 0.000 0.866 217 T HN 0.141 nan 8.240 nan 0.000 0.434 218 L N 0.216 121.424 121.223 -0.025 0.000 2.083 218 L HA -0.143 4.197 4.340 -0.001 0.000 0.209 218 L C 2.560 179.405 176.870 -0.041 0.000 1.083 218 L CA 1.660 56.487 54.840 -0.021 0.000 0.752 218 L CB -0.590 41.465 42.059 -0.006 0.000 0.899 218 L HN 0.398 nan 8.230 nan 0.000 0.433 219 H N 0.303 119.280 119.070 -0.155 0.000 2.387 219 H HA -0.131 4.425 4.556 -0.001 0.000 0.299 219 H C 2.127 177.288 175.328 -0.279 0.000 1.090 219 H CA 1.741 57.684 56.048 -0.176 0.000 1.332 219 H CB 0.171 29.853 29.762 -0.134 0.000 1.386 219 H HN 0.207 nan 8.280 nan 0.000 0.516 220 N N 0.183 118.818 118.700 -0.109 0.000 2.188 220 N HA -0.091 4.648 4.740 -0.001 0.000 0.184 220 N C 1.824 177.262 175.510 -0.120 0.000 1.018 220 N CA 1.081 54.093 53.050 -0.063 0.000 0.858 220 N CB -0.134 38.398 38.487 0.075 0.000 0.989 220 N HN 0.415 nan 8.380 nan 0.000 0.426 221 L N 0.599 121.765 121.223 -0.095 0.000 2.376 221 L HA -0.004 4.336 4.340 -0.001 0.000 0.219 221 L C 1.949 178.744 176.870 -0.124 0.000 1.133 221 L CA 0.653 55.464 54.840 -0.048 0.000 0.816 221 L CB -0.350 41.701 42.059 -0.014 0.000 0.933 221 L HN 0.157 nan 8.230 nan 0.000 0.449 222 S N -2.079 113.455 115.700 -0.276 0.000 2.603 222 S HA -0.069 4.400 4.470 -0.001 0.000 0.220 222 S C 1.613 176.018 174.600 -0.326 0.000 0.967 222 S CA 0.086 58.123 58.200 -0.272 0.000 0.920 222 S CB -0.395 62.636 63.200 -0.282 0.000 0.773 222 S HN 0.440 nan 8.310 nan 0.000 0.529 223 H N 0.652 119.542 119.070 -0.300 0.000 2.535 223 H HA 0.264 4.820 4.556 -0.000 0.000 0.273 223 H C 0.128 175.208 175.328 -0.415 0.000 0.983 223 H CA 0.617 56.426 56.048 -0.398 0.000 1.238 223 H CB -0.035 29.388 29.762 -0.565 0.000 1.412 223 H HN 0.530 nan 8.280 nan 0.000 0.562 224 H N -0.915 118.174 119.070 0.031 0.000 2.569 224 H HA 0.360 4.915 4.556 -0.001 0.000 0.357 224 H C 1.587 176.889 175.328 -0.044 0.000 1.153 224 H CA 0.166 56.204 56.048 -0.017 0.000 1.193 224 H CB 1.299 31.036 29.762 -0.042 0.000 1.602 224 H HN 0.157 nan 8.280 nan 0.000 0.523 225 R N 2.031 122.579 120.500 0.079 0.000 2.096 225 R HA -0.112 4.228 4.340 -0.001 0.000 0.235 225 R C 1.747 178.053 176.300 0.011 0.000 1.127 225 R CA 2.107 58.215 56.100 0.013 0.000 0.968 225 R CB -0.943 29.351 30.300 -0.011 0.000 0.861 225 R HN 0.748 nan 8.270 nan 0.000 0.440 226 E N -0.594 119.608 120.200 0.003 0.000 2.216 226 E HA 0.029 4.379 4.350 -0.001 0.000 0.192 226 E C 2.365 178.959 176.600 -0.009 0.000 0.988 226 E CA 0.611 56.999 56.400 -0.020 0.000 0.834 226 E CB 0.029 29.688 29.700 -0.070 0.000 0.772 226 E HN 0.632 nan 8.360 nan 0.000 0.479 227 G N 0.818 109.624 108.800 0.011 0.000 2.421 227 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.217 227 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.217 227 G C 1.512 176.424 174.900 0.020 0.000 1.143 227 G CA 0.238 45.347 45.100 0.016 0.000 0.784 227 G HN 0.086 nan 8.290 nan 0.000 0.541 228 L N -0.402 120.835 121.223 0.022 0.000 2.156 228 L HA 0.079 4.419 4.340 -0.001 0.000 0.208 228 L C 2.576 179.483 176.870 0.062 0.000 1.095 228 L CA 0.234 55.091 54.840 0.029 0.000 0.770 228 L CB -0.209 41.861 42.059 0.018 0.000 0.914 228 L HN 0.195 nan 8.230 nan 0.000 0.439 229 L N -0.292 120.963 121.223 0.053 0.000 2.156 229 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 229 L C 2.530 179.479 176.870 0.132 0.000 1.095 229 L CA 1.751 56.647 54.840 0.093 0.000 0.770 229 L CB -0.516 41.575 42.059 0.052 0.000 0.914 229 L HN 0.134 nan 8.230 nan 0.000 0.439 230 A N -0.450 122.416 122.820 0.077 0.000 1.897 230 A HA -0.108 4.212 4.320 -0.001 0.000 0.215 230 A C 2.218 179.842 177.584 0.066 0.000 1.181 230 A CA 1.666 53.738 52.037 0.059 0.000 0.620 230 A CB -0.745 18.272 19.000 0.028 0.000 0.821 230 A HN 0.436 nan 8.150 nan 0.000 0.443 231 I N -1.683 118.932 120.570 0.075 0.000 2.208 231 I HA -0.275 3.895 4.170 -0.001 0.000 0.245 231 I C 2.336 178.523 176.117 0.116 0.000 1.097 231 I CA 1.725 63.071 61.300 0.077 0.000 1.363 231 I CB -0.325 37.718 38.000 0.071 0.000 1.051 231 I HN 0.482 nan 8.210 nan 0.000 0.413 232 F N 1.785 121.734 119.950 -0.002 0.000 2.051 232 F HA -0.249 4.278 4.527 -0.000 0.000 0.296 232 F C 2.450 178.250 175.800 -0.000 0.000 1.122 232 F CA 1.500 59.500 58.000 -0.000 0.000 1.201 232 F CB -0.038 38.962 39.000 0.001 0.000 0.978 232 F HN -0.179 nan 8.300 nan 0.000 0.472 233 K N 0.449 120.853 120.400 0.007 0.000 2.211 233 K HA -0.114 4.206 4.320 -0.001 0.000 0.204 233 K C 1.863 178.396 176.600 -0.112 0.000 1.047 233 K CA 1.356 57.589 56.287 -0.091 0.000 0.935 233 K CB -1.141 31.368 32.500 0.016 0.000 0.728 233 K HN 0.405 nan 8.250 nan 0.000 0.452 234 S N -0.841 114.818 115.700 -0.069 0.000 2.634 234 S HA 0.227 4.697 4.470 -0.001 0.000 0.221 234 S C 1.065 175.622 174.600 -0.072 0.000 0.952 234 S CA 0.234 58.401 58.200 -0.055 0.000 0.930 234 S CB -0.097 63.090 63.200 -0.021 0.000 0.780 234 S HN 0.343 nan 8.310 nan 0.000 0.498 235 G N 0.514 109.240 108.800 -0.125 0.000 2.221 235 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.265 235 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.265 235 G C 0.812 175.677 174.900 -0.058 0.000 1.041 235 G CA 0.084 45.117 45.100 -0.112 0.000 0.807 235 G HN 0.889 nan 8.290 nan 0.000 0.502 236 G N -0.241 108.537 108.800 -0.035 0.000 2.421 236 G HA2 0.062 4.022 3.960 -0.001 0.000 0.217 236 G HA3 0.062 4.022 3.960 -0.001 0.000 0.217 236 G C 1.764 176.680 174.900 0.025 0.000 1.143 236 G CA 1.148 46.252 45.100 0.007 0.000 0.784 236 G HN 0.591 nan 8.290 nan 0.000 0.541 237 I N 1.495 122.085 120.570 0.034 0.000 2.142 237 I HA -0.094 4.076 4.170 -0.001 0.000 0.240 237 I C -0.076 176.061 176.117 0.034 0.000 1.078 237 I CA 1.012 62.347 61.300 0.058 0.000 1.343 237 I CB -0.840 37.221 38.000 0.103 0.000 1.046 237 I HN 0.116 nan 8.210 nan 0.000 0.405 238 P HA -0.204 nan 4.420 nan 0.000 0.216 238 P C 1.371 178.678 177.300 0.012 0.000 1.150 238 P CA 2.012 65.116 63.100 0.006 0.000 0.843 238 P CB -0.095 31.597 31.700 -0.013 0.000 0.787 239 A N -0.686 122.139 122.820 0.009 0.000 1.898 239 A HA -0.119 4.201 4.320 -0.001 0.000 0.216 239 A C 2.307 179.907 177.584 0.026 0.000 1.181 239 A CA 1.273 53.318 52.037 0.012 0.000 0.620 239 A CB -1.556 17.447 19.000 0.006 0.000 0.819 239 A HN 0.120 nan 8.150 nan 0.000 0.442 240 L N -0.636 120.610 121.223 0.038 0.000 2.056 240 L HA -0.137 4.203 4.340 -0.001 0.000 0.207 240 L C 2.495 179.402 176.870 0.062 0.000 1.078 240 L CA 0.852 55.726 54.840 0.057 0.000 0.749 240 L CB -0.498 41.604 42.059 0.072 0.000 0.901 240 L HN 0.225 nan 8.230 nan 0.000 0.433 241 V N 0.762 120.708 119.914 0.054 0.000 2.392 241 V HA -0.313 3.806 4.120 -0.001 0.000 0.249 241 V C 2.561 178.682 176.094 0.045 0.000 1.059 241 V CA 2.249 64.581 62.300 0.052 0.000 1.051 241 V CB -0.571 31.278 31.823 0.043 0.000 0.658 241 V HN 0.549 nan 8.190 nan 0.000 0.455 242 K N -0.063 120.358 120.400 0.034 0.000 2.217 242 K HA -0.096 4.224 4.320 -0.001 0.000 0.202 242 K C 1.765 178.381 176.600 0.027 0.000 1.051 242 K CA 1.480 57.782 56.287 0.026 0.000 0.952 242 K CB -0.263 32.246 32.500 0.016 0.000 0.736 242 K HN 0.245 nan 8.250 nan 0.000 0.453 243 M N 0.787 120.408 119.600 0.035 0.000 2.686 243 M HA 0.052 4.531 4.480 -0.001 0.000 0.246 243 M C 1.322 177.647 176.300 0.043 0.000 1.096 243 M CA 0.861 56.180 55.300 0.033 0.000 1.076 243 M CB -0.491 32.135 32.600 0.042 0.000 1.504 243 M HN 0.205 nan 8.290 nan 0.000 0.524 244 L N -0.939 120.321 121.223 0.061 0.000 2.478 244 L HA -0.001 4.339 4.340 -0.001 0.000 0.223 244 L C 2.093 178.999 176.870 0.060 0.000 1.140 244 L CA 0.509 55.402 54.840 0.087 0.000 0.842 244 L CB -0.650 41.475 42.059 0.109 0.000 0.953 244 L HN 0.339 nan 8.230 nan 0.000 0.452 245 G N -1.141 107.679 108.800 0.033 0.000 3.141 245 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.218 245 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.218 245 G C 0.637 175.531 174.900 -0.010 0.000 1.170 245 G CA -0.092 45.017 45.100 0.016 0.000 0.769 245 G HN 0.194 nan 8.290 nan 0.000 0.546 246 S N 1.272 116.959 115.700 -0.021 0.000 2.549 246 S HA 0.252 4.722 4.470 -0.001 0.000 0.286 246 S C -0.562 173.990 174.600 -0.080 0.000 1.314 246 S CA -0.830 57.341 58.200 -0.048 0.000 1.062 246 S CB 1.443 64.609 63.200 -0.055 0.000 0.865 246 S HN 0.116 nan 8.310 nan 0.000 0.498 247 P HA 0.137 nan 4.420 nan 0.000 0.245 247 P C -0.366 176.855 177.300 -0.132 0.000 1.206 247 P CA 0.123 63.167 63.100 -0.094 0.000 0.781 247 P CB -0.032 31.629 31.700 -0.065 0.000 0.994 248 V N 1.601 121.427 119.914 -0.146 0.000 2.432 248 V HA 0.121 4.241 4.120 -0.001 0.000 0.275 248 V C 1.293 177.202 176.094 -0.308 0.000 1.043 248 V CA 0.027 62.216 62.300 -0.185 0.000 0.925 248 V CB 1.079 32.820 31.823 -0.136 0.000 0.985 248 V HN -0.150 nan 8.190 nan 0.000 0.466 249 D N 2.541 122.684 120.400 -0.429 0.000 2.123 249 D HA -0.115 4.524 4.640 -0.001 0.000 0.200 249 D C 2.296 177.937 176.300 -1.098 0.000 0.976 249 D CA 1.766 55.268 54.000 -0.830 0.000 0.831 249 D CB 0.033 40.352 40.800 -0.803 0.000 0.974 249 D HN 0.717 nan 8.370 nan 0.000 0.469 250 S N -0.125 115.177 115.700 -0.663 0.000 2.383 250 S HA -0.153 4.316 4.470 -0.001 0.000 0.229 250 S C 2.195 176.552 174.600 -0.405 0.000 1.030 250 S CA 1.139 59.014 58.200 -0.541 0.000 1.002 250 S CB -0.753 62.255 63.200 -0.321 0.000 0.829 250 S HN 0.092 nan 8.310 nan 0.000 0.467 251 V N 1.838 121.614 119.914 -0.231 0.000 2.358 251 V HA -0.048 4.072 4.120 -0.001 0.000 0.246 251 V C 2.504 178.567 176.094 -0.052 0.000 1.047 251 V CA 1.631 63.904 62.300 -0.045 0.000 1.035 251 V CB -0.796 30.999 31.823 -0.046 0.000 0.658 251 V HN 0.486 nan 8.190 nan 0.000 0.452 252 L N -1.018 120.077 121.223 -0.214 0.000 2.042 252 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 252 L C 2.454 179.399 176.870 0.126 0.000 1.076 252 L CA 1.984 56.752 54.840 -0.120 0.000 0.749 252 L CB -0.298 41.552 42.059 -0.349 0.000 0.893 252 L HN 0.273 nan 8.230 nan 0.000 0.432 253 F N -1.182 118.728 119.950 -0.065 0.000 2.206 253 F HA -0.151 4.375 4.527 -0.001 0.000 0.298 253 F C 2.383 178.196 175.800 0.021 0.000 1.090 253 F CA 0.420 58.409 58.000 -0.019 0.000 1.323 253 F CB -1.446 37.453 39.000 -0.168 0.000 1.028 253 F HN 0.063 nan 8.300 nan 0.000 0.492 254 Y N 0.107 120.488 120.300 0.135 0.000 2.181 254 Y HA -0.212 4.337 4.550 -0.001 0.000 0.288 254 Y C 2.589 178.569 175.900 0.134 0.000 1.146 254 Y CA 0.753 58.877 58.100 0.040 0.000 1.164 254 Y CB -0.420 38.032 38.460 -0.014 0.000 0.982 254 Y HN 0.036 nan 8.280 nan 0.000 0.515 255 A N -0.067 122.926 122.820 0.288 0.000 1.902 255 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 255 A C 2.159 179.876 177.584 0.223 0.000 1.181 255 A CA 1.402 53.568 52.037 0.215 0.000 0.623 255 A CB -0.657 18.440 19.000 0.161 0.000 0.818 255 A HN 0.451 nan 8.150 nan 0.000 0.443 256 I N 0.614 121.344 120.570 0.267 0.000 2.500 256 I HA -0.134 4.036 4.170 -0.001 0.000 0.252 256 I C 2.616 178.864 176.117 0.218 0.000 1.142 256 I CA 2.136 63.578 61.300 0.237 0.000 1.451 256 I CB -0.883 37.293 38.000 0.293 0.000 1.093 256 I HN 0.565 nan 8.210 nan 0.000 0.430 257 T N -2.911 111.795 114.554 0.253 0.000 2.904 257 T HA -0.097 4.253 4.350 -0.001 0.000 0.267 257 T C 1.795 176.664 174.700 0.283 0.000 1.059 257 T CA 1.560 63.816 62.100 0.259 0.000 1.137 257 T CB -0.723 68.340 68.868 0.325 0.000 0.879 257 T HN 0.150 nan 8.240 nan 0.000 0.467 258 T N 2.321 117.052 114.554 0.295 0.000 2.777 258 T HA 0.173 4.523 4.350 -0.001 0.000 0.266 258 T C 1.878 176.652 174.700 0.123 0.000 1.040 258 T CA 0.990 63.194 62.100 0.173 0.000 1.141 258 T CB -0.470 68.502 68.868 0.173 0.000 0.868 258 T HN 0.264 nan 8.240 nan 0.000 0.444 259 L N 0.008 121.315 121.223 0.140 0.000 2.131 259 L HA -0.100 4.239 4.340 -0.001 0.000 0.210 259 L C 2.495 179.413 176.870 0.080 0.000 1.092 259 L CA 1.362 56.261 54.840 0.100 0.000 0.759 259 L CB -0.471 41.647 42.059 0.100 0.000 0.903 259 L HN 0.359 nan 8.230 nan 0.000 0.435 260 H N 0.075 119.161 119.070 0.027 0.000 2.357 260 H HA -0.128 4.428 4.556 -0.000 0.000 0.301 260 H C 2.171 177.473 175.328 -0.045 0.000 1.082 260 H CA 1.733 57.774 56.048 -0.012 0.000 1.342 260 H CB 0.227 29.991 29.762 0.004 0.000 1.389 260 H HN 0.214 nan 8.280 nan 0.000 0.511 261 N N 0.230 119.006 118.700 0.128 0.000 2.149 261 N HA -0.137 4.602 4.740 -0.001 0.000 0.188 261 N C 1.987 177.481 175.510 -0.027 0.000 1.019 261 N CA 1.178 54.267 53.050 0.064 0.000 0.857 261 N CB -0.297 38.236 38.487 0.076 0.000 0.997 261 N HN 0.384 nan 8.380 nan 0.000 0.426 262 L N 0.368 121.578 121.223 -0.021 0.000 2.056 262 L HA -0.065 4.274 4.340 -0.001 0.000 0.207 262 L C 2.131 178.935 176.870 -0.110 0.000 1.078 262 L CA 0.728 55.546 54.840 -0.037 0.000 0.749 262 L CB -0.349 41.717 42.059 0.012 0.000 0.901 262 L HN 0.113 nan 8.230 nan 0.000 0.433 263 L N -0.787 120.342 121.223 -0.156 0.000 2.201 263 L HA -0.198 4.142 4.340 -0.001 0.000 0.212 263 L C 2.386 179.083 176.870 -0.288 0.000 1.105 263 L CA 0.921 55.638 54.840 -0.206 0.000 0.775 263 L CB -0.322 41.599 42.059 -0.230 0.000 0.913 263 L HN 0.282 nan 8.230 nan 0.000 0.440 264 L N -1.256 119.717 121.223 -0.417 0.000 2.072 264 L HA -0.134 4.205 4.340 -0.001 0.000 0.205 264 L C 1.956 178.545 176.870 -0.468 0.000 1.079 264 L CA 0.918 55.414 54.840 -0.575 0.000 0.752 264 L CB -0.289 41.201 42.059 -0.949 0.000 0.906 264 L HN 0.388 nan 8.230 nan 0.000 0.436 265 H N -2.427 116.588 119.070 -0.091 0.000 3.058 265 H HA 0.258 4.814 4.556 -0.001 0.000 0.266 265 H C -0.245 175.021 175.328 -0.104 0.000 1.135 265 H CA -0.060 55.942 56.048 -0.077 0.000 1.174 265 H CB 0.794 30.528 29.762 -0.048 0.000 1.581 265 H HN 0.138 nan 8.280 nan 0.000 0.553 266 Q N 1.752 121.516 119.800 -0.060 0.000 2.327 266 Q HA 0.203 4.542 4.340 -0.001 0.000 0.270 266 Q C -0.690 175.153 176.000 -0.262 0.000 1.022 266 Q CA -0.521 55.176 55.803 -0.176 0.000 0.773 266 Q CB 1.573 30.176 28.738 -0.225 0.000 1.251 266 Q HN 0.203 nan 8.270 nan 0.000 0.457 267 E N 2.558 122.605 120.200 -0.254 0.000 2.480 267 E HA 0.293 4.643 4.350 -0.001 0.000 0.258 267 E C 0.460 176.820 176.600 -0.400 0.000 0.984 267 E CA 1.343 57.602 56.400 -0.235 0.000 0.930 267 E CB 0.030 29.639 29.700 -0.153 0.000 0.936 267 E HN 0.907 nan 8.360 nan 0.000 0.466 268 G N 2.776 111.435 108.800 -0.236 0.000 2.194 268 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.236 268 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.236 268 G C 0.900 175.786 174.900 -0.024 0.000 0.987 268 G CA 0.411 45.439 45.100 -0.120 0.000 0.635 268 G HN 0.765 nan 8.290 nan 0.000 0.520 269 A N 0.382 123.113 122.820 -0.148 0.000 1.898 269 A HA 0.176 4.496 4.320 -0.001 0.000 0.216 269 A C 2.181 179.787 177.584 0.036 0.000 1.181 269 A CA 2.192 54.225 52.037 -0.006 0.000 0.620 269 A CB -0.391 18.561 19.000 -0.081 0.000 0.819 269 A HN 0.482 nan 8.150 nan 0.000 0.442 270 K N -0.169 120.225 120.400 -0.009 0.000 2.032 270 K HA -0.181 4.139 4.320 -0.001 0.000 0.209 270 K C 2.197 178.813 176.600 0.026 0.000 1.048 270 K CA 1.856 58.142 56.287 -0.003 0.000 0.927 270 K CB -0.428 32.060 32.500 -0.019 0.000 0.712 270 K HN 0.714 nan 8.250 nan 0.000 0.441 271 M N -0.304 119.321 119.600 0.043 0.000 2.254 271 M HA 0.049 4.529 4.480 -0.001 0.000 0.265 271 M C 2.297 178.637 176.300 0.067 0.000 1.066 271 M CA 1.585 56.915 55.300 0.050 0.000 1.123 271 M CB -0.718 31.915 32.600 0.054 0.000 1.388 271 M HN 0.006 nan 8.290 nan 0.000 0.425 272 A N 1.457 124.343 122.820 0.111 0.000 1.873 272 A HA -0.018 4.302 4.320 -0.001 0.000 0.215 272 A C 2.390 180.014 177.584 0.068 0.000 1.186 272 A CA 1.847 53.949 52.037 0.108 0.000 0.616 272 A CB -1.032 18.091 19.000 0.205 0.000 0.823 272 A HN 0.334 nan 8.150 nan 0.000 0.442 273 V N -0.016 119.937 119.914 0.066 0.000 2.343 273 V HA -0.261 3.859 4.120 -0.001 0.000 0.247 273 V C 2.626 178.738 176.094 0.031 0.000 1.051 273 V CA 2.204 64.531 62.300 0.044 0.000 1.036 273 V CB -0.835 31.008 31.823 0.035 0.000 0.654 273 V HN 0.514 nan 8.190 nan 0.000 0.451 274 R N -0.571 119.945 120.500 0.027 0.000 2.091 274 R HA -0.183 4.156 4.340 -0.001 0.000 0.238 274 R C 2.216 178.527 176.300 0.018 0.000 1.136 274 R CA 1.646 57.757 56.100 0.019 0.000 0.959 274 R CB -0.514 29.795 30.300 0.016 0.000 0.856 274 R HN 0.364 nan 8.270 nan 0.000 0.437 275 L N 0.015 121.251 121.223 0.022 0.000 2.291 275 L HA 0.014 4.354 4.340 -0.001 0.000 0.214 275 L C 1.655 178.533 176.870 0.013 0.000 1.120 275 L CA 1.314 56.164 54.840 0.016 0.000 0.799 275 L CB -0.029 42.041 42.059 0.018 0.000 0.925 275 L HN 0.083 nan 8.230 nan 0.000 0.446 276 A N -1.327 121.504 122.820 0.017 0.000 2.379 276 A HA 0.490 4.809 4.320 -0.001 0.000 0.236 276 A C 1.523 179.118 177.584 0.017 0.000 1.272 276 A CA 0.350 52.397 52.037 0.015 0.000 0.886 276 A CB -0.734 18.277 19.000 0.019 0.000 0.962 276 A HN 0.614 nan 8.150 nan 0.000 0.504 277 G N -1.504 107.306 108.800 0.017 0.000 2.143 277 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.248 277 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.248 277 G C 1.169 176.082 174.900 0.023 0.000 0.991 277 G CA 0.543 45.654 45.100 0.018 0.000 0.689 277 G HN 1.226 nan 8.290 nan 0.000 0.522 278 G N 0.056 108.871 108.800 0.025 0.000 2.432 278 G HA2 0.030 3.990 3.960 -0.001 0.000 0.219 278 G HA3 0.030 3.990 3.960 -0.001 0.000 0.219 278 G C 1.800 176.716 174.900 0.027 0.000 1.135 278 G CA 1.205 46.323 45.100 0.031 0.000 0.767 278 G HN 0.607 nan 8.290 nan 0.000 0.550 279 L N -0.382 120.853 121.223 0.019 0.000 2.017 279 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 279 L C 3.148 180.028 176.870 0.017 0.000 1.073 279 L CA 1.262 56.110 54.840 0.013 0.000 0.745 279 L CB -0.400 41.663 42.059 0.008 0.000 0.894 279 L HN 0.190 nan 8.230 nan 0.000 0.432 280 Q N -0.041 119.771 119.800 0.019 0.000 2.084 280 Q HA -0.188 4.152 4.340 -0.001 0.000 0.202 280 Q C 2.183 178.202 176.000 0.031 0.000 0.978 280 Q CA 1.487 57.303 55.803 0.022 0.000 0.844 280 Q CB -0.038 28.711 28.738 0.019 0.000 0.898 280 Q HN 0.348 nan 8.270 nan 0.000 0.426 281 K N -0.387 120.035 120.400 0.036 0.000 2.155 281 K HA 0.004 4.324 4.320 -0.001 0.000 0.203 281 K C 1.978 178.617 176.600 0.064 0.000 1.052 281 K CA 0.941 57.259 56.287 0.051 0.000 0.948 281 K CB -0.005 32.528 32.500 0.054 0.000 0.728 281 K HN 0.256 nan 8.250 nan 0.000 0.448 282 M N 0.283 119.913 119.600 0.049 0.000 2.200 282 M HA -0.132 4.348 4.480 -0.001 0.000 0.265 282 M C 2.107 178.427 176.300 0.033 0.000 1.066 282 M CA 1.154 56.478 55.300 0.040 0.000 1.127 282 M CB 0.013 32.621 32.600 0.013 0.000 1.379 282 M HN -0.085 nan 8.290 nan 0.000 0.420 283 V N 0.133 120.064 119.914 0.029 0.000 2.453 283 V HA -0.178 3.942 4.120 -0.001 0.000 0.247 283 V C 2.510 178.631 176.094 0.046 0.000 1.048 283 V CA 1.811 64.127 62.300 0.028 0.000 1.049 283 V CB -0.972 30.864 31.823 0.021 0.000 0.672 283 V HN 0.496 nan 8.190 nan 0.000 0.457 284 A N -0.515 122.337 122.820 0.053 0.000 2.067 284 A HA -0.058 4.261 4.320 -0.001 0.000 0.219 284 A C 2.053 179.693 177.584 0.092 0.000 1.158 284 A CA 1.248 53.323 52.037 0.063 0.000 0.661 284 A CB -0.417 18.616 19.000 0.054 0.000 0.801 284 A HN 0.530 nan 8.150 nan 0.000 0.452 285 L N -0.530 120.766 121.223 0.122 0.000 2.599 285 L HA 0.095 4.434 4.340 -0.001 0.000 0.230 285 L C 1.573 178.571 176.870 0.214 0.000 1.141 285 L CA 0.021 54.990 54.840 0.214 0.000 0.877 285 L CB -0.122 42.133 42.059 0.326 0.000 1.009 285 L HN 0.349 nan 8.230 nan 0.000 0.447 286 L N -0.563 120.731 121.223 0.117 0.000 2.552 286 L HA -0.071 4.269 4.340 -0.001 0.000 0.227 286 L C 0.979 177.926 176.870 0.127 0.000 1.146 286 L CA 0.710 55.607 54.840 0.094 0.000 0.858 286 L CB -0.369 41.722 42.059 0.054 0.000 0.969 286 L HN 0.372 nan 8.230 nan 0.000 0.451 287 N N -1.077 117.702 118.700 0.132 0.000 2.314 287 N HA 0.015 4.755 4.740 -0.001 0.000 0.200 287 N C 0.101 175.700 175.510 0.149 0.000 1.135 287 N CA -0.075 53.053 53.050 0.130 0.000 0.835 287 N CB 0.382 38.925 38.487 0.093 0.000 0.989 287 N HN 0.069 nan 8.380 nan 0.000 0.478 288 K N 0.283 120.798 120.400 0.191 0.000 2.138 288 K HA 0.145 4.464 4.320 -0.001 0.000 0.251 288 K C 1.233 177.952 176.600 0.198 0.000 1.015 288 K CA 0.269 56.671 56.287 0.191 0.000 0.917 288 K CB 0.767 33.429 32.500 0.270 0.000 1.021 288 K HN 0.113 nan 8.250 nan 0.000 0.485 289 T N -3.419 111.231 114.554 0.159 0.000 3.003 289 T HA 0.022 4.372 4.350 -0.001 0.000 0.261 289 T C 0.576 175.321 174.700 0.075 0.000 1.003 289 T CA -0.351 61.853 62.100 0.172 0.000 0.917 289 T CB 0.043 69.019 68.868 0.179 0.000 1.084 289 T HN 0.367 nan 8.240 nan 0.000 0.522 290 N N 2.897 121.638 118.700 0.068 0.000 2.405 290 N HA 0.058 4.798 4.740 -0.001 0.000 0.260 290 N C 1.616 177.088 175.510 -0.064 0.000 1.152 290 N CA 0.176 53.224 53.050 -0.003 0.000 0.948 290 N CB 1.706 40.194 38.487 0.002 0.000 1.111 290 N HN 0.250 nan 8.380 nan 0.000 0.485 291 V N 2.921 122.709 119.914 -0.209 0.000 2.515 291 V HA -0.140 3.979 4.120 -0.001 0.000 0.250 291 V C 2.039 178.027 176.094 -0.176 0.000 1.058 291 V CA 1.237 63.355 62.300 -0.303 0.000 1.064 291 V CB -0.452 31.123 31.823 -0.413 0.000 0.675 291 V HN 0.503 nan 8.190 nan 0.000 0.461 292 K N -0.062 120.214 120.400 -0.207 0.000 2.025 292 K HA -0.068 4.252 4.320 -0.001 0.000 0.207 292 K C 2.047 178.584 176.600 -0.106 0.000 1.049 292 K CA 1.847 58.062 56.287 -0.120 0.000 0.933 292 K CB -0.484 31.906 32.500 -0.183 0.000 0.714 292 K HN 0.523 nan 8.250 nan 0.000 0.438 293 F N 2.154 121.926 119.950 -0.297 0.000 2.120 293 F HA -0.211 4.315 4.527 -0.001 0.000 0.300 293 F C 1.724 177.453 175.800 -0.118 0.000 1.095 293 F CA 1.405 59.254 58.000 -0.250 0.000 1.249 293 F CB -0.262 38.581 39.000 -0.262 0.000 0.995 293 F HN -0.077 nan 8.300 nan 0.000 0.480 294 L N -0.269 120.816 121.223 -0.231 0.000 2.141 294 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 294 L C 2.731 179.452 176.870 -0.247 0.000 1.094 294 L CA 1.020 55.682 54.840 -0.298 0.000 0.763 294 L CB -1.055 40.893 42.059 -0.185 0.000 0.908 294 L HN 0.298 nan 8.230 nan 0.000 0.437 295 A N 0.147 122.876 122.820 -0.152 0.000 1.929 295 A HA -0.096 4.223 4.320 -0.001 0.000 0.216 295 A C 2.138 179.636 177.584 -0.142 0.000 1.176 295 A CA 1.074 53.058 52.037 -0.089 0.000 0.628 295 A CB -0.425 18.596 19.000 0.034 0.000 0.816 295 A HN 0.331 nan 8.150 nan 0.000 0.444 296 I N -0.472 119.976 120.570 -0.203 0.000 2.353 296 I HA -0.175 3.995 4.170 -0.001 0.000 0.248 296 I C 2.482 178.492 176.117 -0.178 0.000 1.119 296 I CA 1.599 62.761 61.300 -0.231 0.000 1.417 296 I CB -0.436 37.417 38.000 -0.244 0.000 1.078 296 I HN 0.205 nan 8.210 nan 0.000 0.421 297 T N -0.056 114.305 114.554 -0.321 0.000 2.737 297 T HA -0.149 4.200 4.350 -0.001 0.000 0.265 297 T C 2.024 176.627 174.700 -0.161 0.000 1.038 297 T CA 2.049 63.973 62.100 -0.293 0.000 1.144 297 T CB -0.521 68.027 68.868 -0.533 0.000 0.866 297 T HN 0.527 nan 8.240 nan 0.000 0.434 298 T N 0.562 115.019 114.554 -0.162 0.000 2.788 298 T HA -0.149 4.201 4.350 -0.001 0.000 0.268 298 T C 1.706 176.346 174.700 -0.100 0.000 1.044 298 T CA 1.558 63.589 62.100 -0.114 0.000 1.139 298 T CB -0.509 68.291 68.868 -0.114 0.000 0.867 298 T HN 0.236 nan 8.240 nan 0.000 0.454 299 D N 0.419 120.768 120.400 -0.085 0.000 2.144 299 D HA -0.037 4.602 4.640 -0.001 0.000 0.200 299 D C 2.150 178.449 176.300 -0.003 0.000 0.978 299 D CA 0.687 54.661 54.000 -0.043 0.000 0.833 299 D CB -0.621 40.205 40.800 0.042 0.000 0.961 299 D HN 0.473 nan 8.370 nan 0.000 0.470 300 C N -0.027 119.299 119.300 0.043 0.000 2.398 300 C HA -0.119 4.340 4.460 -0.001 0.000 0.276 300 C C 2.822 177.786 174.990 -0.043 0.000 1.222 300 C CA 0.420 59.434 59.018 -0.008 0.000 1.746 300 C CB -1.214 26.541 27.740 0.025 0.000 2.039 300 C HN 0.422 nan 8.230 nan 0.000 0.470 301 L N 0.281 121.479 121.223 -0.041 0.000 2.046 301 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 301 L C 2.918 179.766 176.870 -0.038 0.000 1.077 301 L CA 1.440 56.257 54.840 -0.037 0.000 0.747 301 L CB -0.867 41.169 42.059 -0.039 0.000 0.896 301 L HN 0.425 nan 8.230 nan 0.000 0.432 302 Q N 0.805 120.571 119.800 -0.056 0.000 2.096 302 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 302 Q C 2.253 178.235 176.000 -0.030 0.000 0.982 302 Q CA 1.901 57.672 55.803 -0.053 0.000 0.850 302 Q CB -0.175 28.497 28.738 -0.110 0.000 0.901 302 Q HN 0.556 nan 8.270 nan 0.000 0.422 303 I N 0.409 120.938 120.570 -0.069 0.000 2.286 303 I HA -0.292 3.877 4.170 -0.001 0.000 0.248 303 I C 2.275 178.376 176.117 -0.027 0.000 1.115 303 I CA 0.782 62.033 61.300 -0.081 0.000 1.392 303 I CB -0.143 37.764 38.000 -0.155 0.000 1.065 303 I HN 0.155 nan 8.210 nan 0.000 0.418 304 L N -0.010 121.199 121.223 -0.024 0.000 2.179 304 L HA -0.034 4.306 4.340 -0.001 0.000 0.208 304 L C 2.577 179.454 176.870 0.010 0.000 1.096 304 L CA 0.923 55.758 54.840 -0.009 0.000 0.779 304 L CB -0.436 41.614 42.059 -0.015 0.000 0.922 304 L HN 0.189 nan 8.230 nan 0.000 0.443 305 A N -1.282 121.547 122.820 0.014 0.000 2.081 305 A HA -0.101 4.219 4.320 -0.001 0.000 0.214 305 A C 0.832 178.420 177.584 0.007 0.000 1.158 305 A CA -0.107 51.931 52.037 0.002 0.000 0.724 305 A CB -0.387 18.606 19.000 -0.011 0.000 0.826 305 A HN 0.308 nan 8.150 nan 0.000 0.463 306 Y N 1.169 121.433 120.300 -0.061 0.000 2.721 306 Y HA 0.303 4.853 4.550 -0.001 0.000 0.329 306 Y C 1.415 177.284 175.900 -0.053 0.000 1.211 306 Y CA 0.722 58.784 58.100 -0.062 0.000 1.512 306 Y CB 0.117 38.534 38.460 -0.071 0.000 1.249 306 Y HN 0.493 nan 8.280 nan 0.000 0.549 307 G N 4.345 112.780 108.800 -0.609 0.000 2.166 307 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.260 307 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.260 307 G C 0.030 174.838 174.900 -0.154 0.000 0.986 307 G CA 0.323 45.190 45.100 -0.388 0.000 0.683 307 G HN 0.745 nan 8.290 nan 0.000 0.527 308 N N 0.057 118.687 118.700 -0.117 0.000 2.716 308 N HA 0.238 4.977 4.740 -0.001 0.000 0.253 308 N C 1.205 176.679 175.510 -0.059 0.000 1.170 308 N CA -0.564 52.450 53.050 -0.060 0.000 0.807 308 N CB 0.662 39.134 38.487 -0.024 0.000 1.183 308 N HN 0.072 nan 8.380 nan 0.000 0.524 309 Q N 0.952 120.716 119.800 -0.061 0.000 2.135 309 Q HA -0.181 4.159 4.340 -0.001 0.000 0.204 309 Q C 1.268 177.247 176.000 -0.035 0.000 0.981 309 Q CA 1.420 57.192 55.803 -0.052 0.000 0.856 309 Q CB 0.199 28.908 28.738 -0.048 0.000 0.902 309 Q HN 0.703 nan 8.270 nan 0.000 0.425 310 E N -0.357 119.827 120.200 -0.027 0.000 2.058 310 E HA -0.143 4.206 4.350 -0.001 0.000 0.194 310 E C 1.890 178.481 176.600 -0.015 0.000 0.997 310 E CA 1.405 57.794 56.400 -0.018 0.000 0.801 310 E CB 0.170 29.863 29.700 -0.013 0.000 0.746 310 E HN 0.185 nan 8.360 nan 0.000 0.450 311 S N 0.356 116.046 115.700 -0.017 0.000 2.402 311 S HA -0.101 4.369 4.470 -0.001 0.000 0.229 311 S C 1.690 176.280 174.600 -0.016 0.000 1.021 311 S CA 0.954 59.147 58.200 -0.013 0.000 0.974 311 S CB -0.070 63.123 63.200 -0.011 0.000 0.800 311 S HN 0.230 nan 8.310 nan 0.000 0.484 312 K N 1.061 121.445 120.400 -0.025 0.000 2.097 312 K HA 0.048 4.367 4.320 -0.001 0.000 0.205 312 K C 1.851 178.439 176.600 -0.019 0.000 1.050 312 K CA 0.912 57.183 56.287 -0.027 0.000 0.938 312 K CB -0.312 32.164 32.500 -0.039 0.000 0.718 312 K HN 0.312 nan 8.250 nan 0.000 0.442 313 L N 0.530 121.743 121.223 -0.017 0.000 2.217 313 L HA -0.105 4.234 4.340 -0.001 0.000 0.211 313 L C 2.190 179.056 176.870 -0.007 0.000 1.107 313 L CA 0.774 55.606 54.840 -0.012 0.000 0.783 313 L CB -0.289 41.763 42.059 -0.012 0.000 0.919 313 L HN 0.134 nan 8.230 nan 0.000 0.442 314 I N -0.243 120.324 120.570 -0.006 0.000 2.353 314 I HA -0.254 3.915 4.170 -0.001 0.000 0.248 314 I C 2.346 178.463 176.117 0.000 0.000 1.119 314 I CA 1.223 62.522 61.300 -0.002 0.000 1.417 314 I CB -0.050 37.950 38.000 -0.000 0.000 1.078 314 I HN 0.124 nan 8.210 nan 0.000 0.421 315 I N 0.020 120.588 120.570 -0.003 0.000 2.226 315 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 315 I C 2.463 178.580 176.117 0.001 0.000 1.100 315 I CA 1.065 62.364 61.300 -0.001 0.000 1.374 315 I CB -0.258 37.738 38.000 -0.006 0.000 1.057 315 I HN 0.244 nan 8.210 nan 0.000 0.413 316 L N 1.350 122.572 121.223 -0.002 0.000 2.012 316 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 316 L C 2.468 179.339 176.870 0.003 0.000 1.073 316 L CA 2.282 57.122 54.840 -0.000 0.000 0.748 316 L CB -0.872 41.185 42.059 -0.003 0.000 0.891 316 L HN 0.186 nan 8.230 nan 0.000 0.431 317 A N -1.723 121.098 122.820 0.003 0.000 2.066 317 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 317 A C 2.170 179.758 177.584 0.008 0.000 1.157 317 A CA 1.468 53.507 52.037 0.004 0.000 0.670 317 A CB -0.625 18.377 19.000 0.003 0.000 0.804 317 A HN 0.548 nan 8.150 nan 0.000 0.453 318 S N -1.315 114.390 115.700 0.009 0.000 2.593 318 S HA 0.372 4.842 4.470 -0.001 0.000 0.217 318 S C 1.215 175.824 174.600 0.016 0.000 0.966 318 S CA 0.630 58.838 58.200 0.013 0.000 0.914 318 S CB 0.125 63.334 63.200 0.015 0.000 0.776 318 S HN 1.620 nan 8.310 nan 0.000 0.523 319 G N 1.062 109.870 108.800 0.014 0.000 2.140 319 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.211 319 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.211 319 G C 0.742 175.653 174.900 0.018 0.000 1.013 319 G CA 0.084 45.194 45.100 0.017 0.000 0.705 319 G HN 0.567 nan 8.290 nan 0.000 0.508 320 G N 0.903 109.711 108.800 0.014 0.000 2.480 320 G HA2 0.017 3.977 3.960 -0.001 0.000 0.216 320 G HA3 0.017 3.977 3.960 -0.001 0.000 0.216 320 G C 0.180 175.089 174.900 0.014 0.000 1.200 320 G CA 1.788 46.895 45.100 0.012 0.000 0.782 320 G HN 0.509 nan 8.290 nan 0.000 0.554 321 P HA -0.177 nan 4.420 nan 0.000 0.215 321 P C 1.826 179.138 177.300 0.021 0.000 1.163 321 P CA 1.856 64.964 63.100 0.014 0.000 0.894 321 P CB -0.036 31.671 31.700 0.011 0.000 0.791 322 Q N -0.548 119.265 119.800 0.022 0.000 2.170 322 Q HA -0.096 4.244 4.340 -0.001 0.000 0.203 322 Q C 1.996 178.017 176.000 0.036 0.000 0.976 322 Q CA 1.928 57.747 55.803 0.026 0.000 0.858 322 Q CB -1.152 27.600 28.738 0.023 0.000 0.907 322 Q HN 0.137 nan 8.270 nan 0.000 0.433 323 A N -0.387 122.456 122.820 0.038 0.000 1.929 323 A HA -0.034 4.286 4.320 -0.001 0.000 0.216 323 A C 1.996 179.615 177.584 0.058 0.000 1.176 323 A CA 0.972 53.040 52.037 0.051 0.000 0.628 323 A CB -0.503 18.526 19.000 0.048 0.000 0.816 323 A HN 0.419 nan 8.150 nan 0.000 0.444 324 L N -0.648 120.600 121.223 0.042 0.000 2.027 324 L HA -0.123 4.217 4.340 -0.001 0.000 0.206 324 L C 2.487 179.388 176.870 0.052 0.000 1.074 324 L CA 0.916 55.779 54.840 0.039 0.000 0.745 324 L CB -0.608 41.461 42.059 0.018 0.000 0.898 324 L HN 0.210 nan 8.230 nan 0.000 0.433 325 V N 0.434 120.376 119.914 0.047 0.000 2.392 325 V HA -0.318 3.802 4.120 -0.001 0.000 0.249 325 V C 2.059 178.192 176.094 0.065 0.000 1.059 325 V CA 2.152 64.484 62.300 0.053 0.000 1.051 325 V CB -0.834 31.013 31.823 0.041 0.000 0.658 325 V HN 0.524 nan 8.190 nan 0.000 0.455 326 N N -0.140 118.598 118.700 0.064 0.000 2.120 326 N HA -0.121 4.618 4.740 -0.001 0.000 0.188 326 N C 1.881 177.446 175.510 0.093 0.000 1.024 326 N CA 1.326 54.413 53.050 0.062 0.000 0.852 326 N CB -0.193 38.329 38.487 0.058 0.000 1.003 326 N HN 0.395 nan 8.380 nan 0.000 0.424 327 I N 1.080 121.744 120.570 0.157 0.000 2.208 327 I HA -0.274 3.896 4.170 -0.001 0.000 0.245 327 I C 2.133 178.393 176.117 0.240 0.000 1.097 327 I CA 0.960 62.434 61.300 0.288 0.000 1.363 327 I CB -0.076 38.061 38.000 0.229 0.000 1.051 327 I HN 0.212 nan 8.210 nan 0.000 0.413 328 M N -0.239 119.451 119.600 0.150 0.000 2.213 328 M HA -0.151 4.328 4.480 -0.001 0.000 0.263 328 M C 2.133 178.583 176.300 0.250 0.000 1.062 328 M CA 1.634 57.028 55.300 0.158 0.000 1.105 328 M CB -1.156 31.516 32.600 0.120 0.000 1.385 328 M HN 0.220 nan 8.290 nan 0.000 0.417 329 R N -1.106 119.476 120.500 0.138 0.000 2.297 329 R HA 0.056 4.395 4.340 -0.001 0.000 0.197 329 R C 1.467 177.772 176.300 0.007 0.000 0.943 329 R CA 0.791 56.937 56.100 0.076 0.000 1.038 329 R CB 0.063 30.382 30.300 0.031 0.000 0.957 329 R HN 0.325 nan 8.270 nan 0.000 0.484 330 T N -1.075 113.451 114.554 -0.047 0.000 3.026 330 T HA 0.147 4.497 4.350 -0.001 0.000 0.245 330 T C -0.164 174.320 174.700 -0.359 0.000 1.004 330 T CA 0.466 62.389 62.100 -0.295 0.000 1.069 330 T CB 0.211 68.735 68.868 -0.573 0.000 1.005 330 T HN -0.014 nan 8.240 nan 0.000 0.472 331 Y N 1.233 121.599 120.300 0.109 0.000 2.496 331 Y HA 0.439 4.989 4.550 -0.001 0.000 0.331 331 Y C 1.465 177.456 175.900 0.151 0.000 1.140 331 Y CA -0.829 57.341 58.100 0.117 0.000 1.166 331 Y CB 1.444 39.975 38.460 0.119 0.000 1.249 331 Y HN -0.031 nan 8.280 nan 0.000 0.479 332 T N -2.877 111.871 114.554 0.324 0.000 3.091 332 T HA 0.090 4.440 4.350 -0.001 0.000 0.277 332 T C -0.552 174.300 174.700 0.252 0.000 0.996 332 T CA -0.140 62.109 62.100 0.248 0.000 0.897 332 T CB -0.522 68.450 68.868 0.174 0.000 1.109 332 T HN 0.426 nan 8.240 nan 0.000 0.534 333 Y N 3.242 123.618 120.300 0.126 0.000 2.531 333 Y HA 0.323 4.872 4.550 -0.001 0.000 0.347 333 Y C 1.493 177.427 175.900 0.056 0.000 1.024 333 Y CA -1.638 56.502 58.100 0.068 0.000 1.306 333 Y CB 0.725 39.205 38.460 0.034 0.000 1.149 333 Y HN 0.109 nan 8.280 nan 0.000 0.527 334 E N 4.583 124.680 120.200 -0.171 0.000 2.097 334 E HA -0.267 4.083 4.350 -0.001 0.000 0.196 334 E C 1.298 177.746 176.600 -0.253 0.000 1.000 334 E CA 1.693 57.989 56.400 -0.175 0.000 0.804 334 E CB 0.245 29.858 29.700 -0.145 0.000 0.740 334 E HN 0.837 nan 8.360 nan 0.000 0.454 335 K N 0.025 120.074 120.400 -0.586 0.000 2.097 335 K HA -0.156 4.164 4.320 -0.001 0.000 0.206 335 K C 2.210 178.739 176.600 -0.119 0.000 1.049 335 K CA 1.114 57.195 56.287 -0.344 0.000 0.933 335 K CB -0.203 31.976 32.500 -0.535 0.000 0.717 335 K HN 0.070 nan 8.250 nan 0.000 0.442 336 L N 0.940 122.036 121.223 -0.212 0.000 2.109 336 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 336 L C 1.639 178.508 176.870 -0.003 0.000 1.086 336 L CA 1.471 56.308 54.840 -0.005 0.000 0.760 336 L CB -0.231 41.901 42.059 0.122 0.000 0.910 336 L HN 0.132 nan 8.230 nan 0.000 0.437 337 L N -1.918 119.302 121.223 -0.006 0.000 2.083 337 L HA -0.223 4.116 4.340 -0.001 0.000 0.209 337 L C 2.360 179.235 176.870 0.008 0.000 1.083 337 L CA 1.527 56.336 54.840 -0.051 0.000 0.752 337 L CB -0.758 41.207 42.059 -0.156 0.000 0.899 337 L HN 0.524 nan 8.230 nan 0.000 0.433 338 W N 1.388 122.609 121.300 -0.133 0.000 2.380 338 W HA -0.216 4.444 4.660 0.000 0.000 0.317 338 W C 2.872 179.356 176.519 -0.060 0.000 1.196 338 W CA 2.233 59.523 57.345 -0.093 0.000 1.307 338 W CB -0.740 28.660 29.460 -0.101 0.000 1.157 338 W HN 0.246 nan 8.180 nan 0.000 0.483 339 T N -2.203 112.179 114.554 -0.288 0.000 2.684 339 T HA -0.249 4.101 4.350 -0.001 0.000 0.267 339 T C 1.712 176.247 174.700 -0.275 0.000 1.036 339 T CA 2.421 64.252 62.100 -0.449 0.000 1.148 339 T CB -1.313 67.401 68.868 -0.255 0.000 0.863 339 T HN 0.139 nan 8.240 nan 0.000 0.436 340 T N 2.518 116.983 114.554 -0.149 0.000 2.746 340 T HA -0.123 4.226 4.350 -0.001 0.000 0.267 340 T C 2.481 177.129 174.700 -0.086 0.000 1.039 340 T CA 1.889 63.934 62.100 -0.092 0.000 1.142 340 T CB -0.697 68.147 68.868 -0.040 0.000 0.866 340 T HN 0.771 nan 8.240 nan 0.000 0.444 341 S N 1.692 117.339 115.700 -0.089 0.000 2.423 341 S HA -0.058 4.411 4.470 -0.001 0.000 0.231 341 S C 2.023 176.590 174.600 -0.056 0.000 1.014 341 S CA 0.553 58.726 58.200 -0.046 0.000 0.965 341 S CB -0.340 62.858 63.200 -0.003 0.000 0.785 341 S HN 0.435 nan 8.310 nan 0.000 0.495 342 R N 0.554 120.956 120.500 -0.163 0.000 2.115 342 R HA 0.073 4.412 4.340 -0.001 0.000 0.226 342 R C 2.212 178.458 176.300 -0.091 0.000 1.100 342 R CA 1.232 57.241 56.100 -0.153 0.000 0.980 342 R CB -0.599 29.504 30.300 -0.328 0.000 0.875 342 R HN 0.413 nan 8.270 nan 0.000 0.445 343 V N 1.480 121.335 119.914 -0.098 0.000 2.379 343 V HA -0.188 3.931 4.120 -0.001 0.000 0.245 343 V C 2.354 178.430 176.094 -0.030 0.000 1.044 343 V CA 1.434 63.699 62.300 -0.058 0.000 1.036 343 V CB -0.453 31.334 31.823 -0.060 0.000 0.664 343 V HN 0.253 nan 8.190 nan 0.000 0.453 344 L N -0.192 121.018 121.223 -0.022 0.000 2.131 344 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 344 L C 2.674 179.551 176.870 0.012 0.000 1.092 344 L CA 1.575 56.415 54.840 -0.000 0.000 0.759 344 L CB -0.525 41.541 42.059 0.011 0.000 0.903 344 L HN 0.323 nan 8.230 nan 0.000 0.435 345 K N 0.063 120.474 120.400 0.019 0.000 2.025 345 K HA -0.134 4.186 4.320 -0.001 0.000 0.207 345 K C 2.053 178.657 176.600 0.006 0.000 1.049 345 K CA 1.240 57.550 56.287 0.039 0.000 0.933 345 K CB -0.008 32.536 32.500 0.073 0.000 0.714 345 K HN 0.087 nan 8.250 nan 0.000 0.438 346 V N 2.046 121.957 119.914 -0.005 0.000 2.287 346 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 346 V C 2.342 178.405 176.094 -0.050 0.000 1.053 346 V CA 1.617 63.897 62.300 -0.034 0.000 1.027 346 V CB -0.309 31.509 31.823 -0.008 0.000 0.646 346 V HN 0.325 nan 8.190 nan 0.000 0.447 347 L N 0.614 121.819 121.223 -0.030 0.000 2.291 347 L HA -0.094 4.246 4.340 -0.001 0.000 0.214 347 L C 2.507 179.365 176.870 -0.021 0.000 1.120 347 L CA 1.436 56.260 54.840 -0.028 0.000 0.799 347 L CB -0.562 41.487 42.059 -0.016 0.000 0.925 347 L HN 0.545 nan 8.230 nan 0.000 0.446 348 S N -0.637 115.057 115.700 -0.012 0.000 2.481 348 S HA -0.082 4.388 4.470 -0.001 0.000 0.231 348 S C 1.674 176.267 174.600 -0.012 0.000 0.996 348 S CA 0.753 58.953 58.200 -0.001 0.000 0.942 348 S CB -0.464 62.748 63.200 0.020 0.000 0.768 348 S HN 0.364 nan 8.310 nan 0.000 0.520 349 V N -1.122 118.773 119.914 -0.032 0.000 3.506 349 V HA 0.314 4.433 4.120 -0.001 0.000 0.263 349 V C 1.139 177.205 176.094 -0.047 0.000 1.203 349 V CA -0.286 61.988 62.300 -0.044 0.000 1.133 349 V CB -1.262 30.519 31.823 -0.070 0.000 0.802 349 V HN 0.653 nan 8.190 nan 0.000 0.459 350 C N 2.615 121.888 119.300 -0.045 0.000 2.527 350 C HA 0.557 5.016 4.460 -0.001 0.000 0.396 350 C C 2.296 177.270 174.990 -0.026 0.000 1.289 350 C CA 0.477 59.471 59.018 -0.041 0.000 2.047 350 C CB 0.732 28.448 27.740 -0.041 0.000 2.568 350 C HN 0.732 nan 8.230 nan 0.000 0.573 351 S N 3.187 118.873 115.700 -0.024 0.000 2.496 351 S HA -0.050 4.419 4.470 -0.001 0.000 0.224 351 S C 1.372 175.966 174.600 -0.011 0.000 0.996 351 S CA 1.039 59.230 58.200 -0.015 0.000 0.927 351 S CB -0.145 63.045 63.200 -0.015 0.000 0.774 351 S HN 0.840 nan 8.310 nan 0.000 0.524 352 S N 2.132 117.825 115.700 -0.013 0.000 2.456 352 S HA 0.161 4.631 4.470 -0.001 0.000 0.224 352 S C 1.697 176.293 174.600 -0.007 0.000 1.035 352 S CA 0.048 58.243 58.200 -0.009 0.000 0.940 352 S CB -0.298 62.897 63.200 -0.010 0.000 0.799 352 S HN 0.543 nan 8.310 nan 0.000 0.508 353 N N 1.713 120.407 118.700 -0.009 0.000 2.250 353 N HA -0.025 4.715 4.740 -0.001 0.000 0.181 353 N C 1.728 177.237 175.510 -0.002 0.000 1.017 353 N CA 0.739 53.785 53.050 -0.006 0.000 0.866 353 N CB -0.099 38.381 38.487 -0.011 0.000 0.985 353 N HN 0.417 nan 8.380 nan 0.000 0.429 354 K N 1.696 122.094 120.400 -0.003 0.000 2.001 354 K HA -0.116 4.204 4.320 -0.001 0.000 0.214 354 K C -0.947 175.656 176.600 0.005 0.000 1.050 354 K CA 1.575 57.863 56.287 0.002 0.000 0.934 354 K CB -0.723 31.777 32.500 0.001 0.000 0.718 354 K HN 0.033 nan 8.250 nan 0.000 0.443 355 P HA -0.133 nan 4.420 nan 0.000 0.218 355 P C 0.828 178.131 177.300 0.005 0.000 1.148 355 P CA 1.889 64.992 63.100 0.004 0.000 0.822 355 P CB -0.095 31.606 31.700 0.002 0.000 0.784 356 A N -0.783 122.040 122.820 0.005 0.000 1.929 356 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 356 A C 2.214 179.804 177.584 0.009 0.000 1.176 356 A CA 1.124 53.165 52.037 0.006 0.000 0.628 356 A CB -1.498 17.505 19.000 0.005 0.000 0.816 356 A HN 0.113 nan 8.150 nan 0.000 0.444 357 I N -0.444 120.132 120.570 0.010 0.000 2.252 357 I HA -0.196 3.974 4.170 -0.001 0.000 0.245 357 I C 2.268 178.394 176.117 0.016 0.000 1.102 357 I CA 0.962 62.270 61.300 0.014 0.000 1.385 357 I CB -0.194 37.815 38.000 0.015 0.000 1.064 357 I HN 0.141 nan 8.210 nan 0.000 0.414 358 V N 0.319 120.241 119.914 0.013 0.000 2.427 358 V HA -0.223 3.897 4.120 -0.001 0.000 0.248 358 V C 2.430 178.529 176.094 0.009 0.000 1.051 358 V CA 1.629 63.937 62.300 0.012 0.000 1.048 358 V CB -0.575 31.254 31.823 0.010 0.000 0.666 358 V HN 0.398 nan 8.190 nan 0.000 0.456 359 E N 0.262 120.467 120.200 0.008 0.000 2.204 359 E HA -0.123 4.227 4.350 -0.001 0.000 0.194 359 E C 2.180 178.785 176.600 0.008 0.000 0.989 359 E CA 1.279 57.683 56.400 0.006 0.000 0.824 359 E CB -0.160 29.544 29.700 0.006 0.000 0.756 359 E HN 0.573 nan 8.360 nan 0.000 0.477 360 A N 0.048 122.875 122.820 0.012 0.000 2.235 360 A HA 0.186 4.506 4.320 -0.001 0.000 0.208 360 A C 1.512 179.106 177.584 0.016 0.000 1.172 360 A CA 1.019 53.065 52.037 0.015 0.000 0.786 360 A CB -0.190 18.822 19.000 0.018 0.000 0.804 360 A HN 0.270 nan 8.150 nan 0.000 0.479 361 G N -2.011 106.797 108.800 0.014 0.000 2.142 361 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.225 361 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.225 361 G C 1.113 176.027 174.900 0.023 0.000 1.015 361 G CA 0.486 45.595 45.100 0.015 0.000 0.716 361 G HN 1.187 nan 8.290 nan 0.000 0.508 362 G N -0.058 108.757 108.800 0.025 0.000 2.442 362 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.219 362 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.219 362 G C 1.842 176.764 174.900 0.037 0.000 1.141 362 G CA 1.709 46.829 45.100 0.033 0.000 0.763 362 G HN 0.462 nan 8.290 nan 0.000 0.554 363 M N 0.001 119.617 119.600 0.028 0.000 2.123 363 M HA -0.007 4.472 4.480 -0.001 0.000 0.263 363 M C 2.639 178.955 176.300 0.026 0.000 1.069 363 M CA 1.193 56.509 55.300 0.027 0.000 1.133 363 M CB -1.134 31.477 32.600 0.018 0.000 1.356 363 M HN 0.215 nan 8.290 nan 0.000 0.415 364 Q N 0.316 120.127 119.800 0.018 0.000 2.119 364 Q HA 0.038 4.378 4.340 -0.001 0.000 0.201 364 Q C 2.255 178.266 176.000 0.018 0.000 0.972 364 Q CA 1.822 57.631 55.803 0.010 0.000 0.847 364 Q CB -0.563 28.175 28.738 0.002 0.000 0.903 364 Q HN 0.567 nan 8.270 nan 0.000 0.433 365 A N 0.516 123.359 122.820 0.039 0.000 1.873 365 A HA -0.127 4.193 4.320 -0.001 0.000 0.215 365 A C 2.017 179.681 177.584 0.134 0.000 1.186 365 A CA 1.106 53.187 52.037 0.072 0.000 0.616 365 A CB -0.717 18.332 19.000 0.081 0.000 0.823 365 A HN 0.335 nan 8.150 nan 0.000 0.442 366 L N -0.488 120.807 121.223 0.120 0.000 2.191 366 L HA -0.119 4.221 4.340 -0.001 0.000 0.212 366 L C 2.705 179.649 176.870 0.124 0.000 1.103 366 L CA 0.857 55.787 54.840 0.150 0.000 0.769 366 L CB -0.655 41.459 42.059 0.092 0.000 0.908 366 L HN 0.500 nan 8.230 nan 0.000 0.438 367 G N -0.154 108.680 108.800 0.057 0.000 2.443 367 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.219 367 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.219 367 G C 1.459 176.340 174.900 -0.032 0.000 1.131 367 G CA 0.158 45.266 45.100 0.013 0.000 0.775 367 G HN 0.121 nan 8.290 nan 0.000 0.547 368 L N 0.477 121.645 121.223 -0.092 0.000 2.187 368 L HA -0.018 4.322 4.340 -0.001 0.000 0.213 368 L C 1.758 178.397 176.870 -0.386 0.000 1.100 368 L CA 1.306 55.980 54.840 -0.276 0.000 0.765 368 L CB -1.015 40.780 42.059 -0.439 0.000 0.904 368 L HN 0.387 nan 8.230 nan 0.000 0.437 369 H N -2.822 116.253 119.070 0.009 0.000 2.542 369 H HA 0.164 4.720 4.556 -0.001 0.000 0.283 369 H C 1.433 176.758 175.328 -0.004 0.000 1.059 369 H CA -0.300 55.753 56.048 0.009 0.000 1.162 369 H CB 0.391 30.167 29.762 0.024 0.000 1.539 369 H HN -0.008 nan 8.280 nan 0.000 0.543 370 L N 0.724 121.975 121.223 0.047 0.000 2.478 370 L HA -0.005 4.334 4.340 -0.001 0.000 0.223 370 L C 1.516 178.384 176.870 -0.003 0.000 1.140 370 L CA 1.328 56.178 54.840 0.017 0.000 0.842 370 L CB -0.317 41.741 42.059 -0.002 0.000 0.953 370 L HN 0.361 nan 8.230 nan 0.000 0.452 371 T N -5.390 109.163 114.554 -0.003 0.000 3.228 371 T HA 0.147 4.497 4.350 -0.001 0.000 0.278 371 T C 0.494 175.194 174.700 0.000 0.000 1.014 371 T CA -0.574 61.520 62.100 -0.010 0.000 0.904 371 T CB -0.123 68.734 68.868 -0.018 0.000 1.110 371 T HN 0.035 nan 8.240 nan 0.000 0.541 372 D N 2.583 122.997 120.400 0.023 0.000 2.424 372 D HA 0.133 4.772 4.640 -0.001 0.000 0.244 372 D C -1.313 174.991 176.300 0.007 0.000 1.134 372 D CA -1.552 52.469 54.000 0.036 0.000 0.881 372 D CB 1.884 42.739 40.800 0.091 0.000 1.191 372 D HN -0.009 nan 8.370 nan 0.000 0.445 373 P HA -0.112 nan 4.420 nan 0.000 0.217 373 P C 0.349 177.627 177.300 -0.036 0.000 1.148 373 P CA 0.732 63.820 63.100 -0.019 0.000 0.834 373 P CB 0.162 31.852 31.700 -0.017 0.000 0.783 374 S N -0.189 115.488 115.700 -0.039 0.000 2.465 374 S HA 0.005 4.474 4.470 -0.001 0.000 0.280 374 S C 1.354 175.914 174.600 -0.067 0.000 1.232 374 S CA -0.466 57.690 58.200 -0.072 0.000 1.066 374 S CB 0.244 63.389 63.200 -0.091 0.000 0.929 374 S HN 0.170 nan 8.310 nan 0.000 0.494 375 Q N 5.606 125.357 119.800 -0.081 0.000 2.172 375 Q HA -0.129 4.211 4.340 -0.001 0.000 0.200 375 Q C 1.971 177.921 176.000 -0.083 0.000 0.964 375 Q CA 1.281 57.036 55.803 -0.080 0.000 0.855 375 Q CB -0.168 28.525 28.738 -0.076 0.000 0.918 375 Q HN 0.906 nan 8.270 nan 0.000 0.444 376 R N -0.067 120.380 120.500 -0.088 0.000 2.148 376 R HA -0.066 4.274 4.340 -0.001 0.000 0.223 376 R C 2.094 178.440 176.300 0.078 0.000 1.088 376 R CA 1.045 57.129 56.100 -0.025 0.000 0.985 376 R CB -0.515 29.713 30.300 -0.121 0.000 0.880 376 R HN 0.303 nan 8.270 nan 0.000 0.451 377 L N 1.306 122.548 121.223 0.033 0.000 2.044 377 L HA -0.042 4.297 4.340 -0.001 0.000 0.205 377 L C 2.167 179.064 176.870 0.046 0.000 1.075 377 L CA 1.358 56.256 54.840 0.097 0.000 0.747 377 L CB -0.325 41.760 42.059 0.043 0.000 0.903 377 L HN 0.027 nan 8.230 nan 0.000 0.435 378 V N -0.384 119.526 119.914 -0.007 0.000 2.332 378 V HA -0.324 3.796 4.120 -0.001 0.000 0.248 378 V C 2.617 178.638 176.094 -0.122 0.000 1.055 378 V CA 2.035 64.310 62.300 -0.041 0.000 1.038 378 V CB -0.612 31.176 31.823 -0.059 0.000 0.651 378 V HN 0.564 nan 8.190 nan 0.000 0.450 379 Q N -0.005 119.672 119.800 -0.206 0.000 2.187 379 Q HA -0.094 4.246 4.340 -0.001 0.000 0.199 379 Q C 1.942 177.695 176.000 -0.412 0.000 0.957 379 Q CA 1.725 57.224 55.803 -0.507 0.000 0.857 379 Q CB -0.324 27.953 28.738 -0.767 0.000 0.929 379 Q HN 0.759 nan 8.270 nan 0.000 0.453 380 N N -1.525 117.169 118.700 -0.010 0.000 2.188 380 N HA -0.142 4.597 4.740 -0.001 0.000 0.184 380 N C 1.467 177.060 175.510 0.137 0.000 1.018 380 N CA 1.166 54.350 53.050 0.223 0.000 0.858 380 N CB -0.039 38.588 38.487 0.233 0.000 0.989 380 N HN 0.266 nan 8.380 nan 0.000 0.426 381 C N 0.524 119.858 119.300 0.056 0.000 2.446 381 C HA -0.001 4.458 4.460 -0.001 0.000 0.277 381 C C 2.543 177.554 174.990 0.035 0.000 1.275 381 C CA 0.351 59.402 59.018 0.054 0.000 1.727 381 C CB -1.054 26.721 27.740 0.059 0.000 2.010 381 C HN 0.448 nan 8.230 nan 0.000 0.486 382 L N -0.805 120.392 121.223 -0.043 0.000 2.027 382 L HA -0.135 4.204 4.340 -0.001 0.000 0.206 382 L C 2.756 179.646 176.870 0.033 0.000 1.074 382 L CA 1.455 56.257 54.840 -0.064 0.000 0.745 382 L CB -0.595 41.349 42.059 -0.192 0.000 0.898 382 L HN 0.484 nan 8.230 nan 0.000 0.433 383 W N 0.489 121.806 121.300 0.029 0.000 2.358 383 W HA -0.154 4.505 4.660 -0.000 0.000 0.303 383 W C 2.682 179.212 176.519 0.019 0.000 1.208 383 W CA 1.543 58.902 57.345 0.024 0.000 1.274 383 W CB -1.348 28.129 29.460 0.028 0.000 1.138 383 W HN 0.173 nan 8.180 nan 0.000 0.515 384 T N 1.245 115.949 114.554 0.249 0.000 2.701 384 T HA -0.162 4.187 4.350 -0.001 0.000 0.263 384 T C 2.150 176.911 174.700 0.102 0.000 1.040 384 T CA 1.426 63.613 62.100 0.145 0.000 1.147 384 T CB -0.726 68.209 68.868 0.112 0.000 0.865 384 T HN -0.017 nan 8.240 nan 0.000 0.426 385 L N 0.499 121.775 121.223 0.088 0.000 2.043 385 L HA -0.164 4.175 4.340 -0.001 0.000 0.212 385 L C 2.868 179.776 176.870 0.065 0.000 1.075 385 L CA 1.529 56.407 54.840 0.063 0.000 0.752 385 L CB -0.417 41.670 42.059 0.047 0.000 0.891 385 L HN 0.167 nan 8.230 nan 0.000 0.432 386 R N -0.114 120.437 120.500 0.085 0.000 2.092 386 R HA -0.145 4.195 4.340 -0.001 0.000 0.231 386 R C 2.073 178.418 176.300 0.075 0.000 1.119 386 R CA 1.405 57.556 56.100 0.084 0.000 0.970 386 R CB -0.051 30.319 30.300 0.115 0.000 0.864 386 R HN 0.405 nan 8.270 nan 0.000 0.440 387 N N 0.612 119.360 118.700 0.081 0.000 2.166 387 N HA -0.135 4.604 4.740 -0.001 0.000 0.186 387 N C 1.625 177.158 175.510 0.038 0.000 1.019 387 N CA 1.094 54.175 53.050 0.052 0.000 0.856 387 N CB -0.082 38.432 38.487 0.046 0.000 0.993 387 N HN 0.280 nan 8.380 nan 0.000 0.426 388 L N 0.742 121.991 121.223 0.042 0.000 2.418 388 L HA 0.033 4.372 4.340 -0.001 0.000 0.218 388 L C 2.140 179.028 176.870 0.030 0.000 1.125 388 L CA 0.331 55.190 54.840 0.032 0.000 0.835 388 L CB -0.317 41.761 42.059 0.033 0.000 0.953 388 L HN 0.147 nan 8.230 nan 0.000 0.454 389 S N 0.024 115.746 115.700 0.037 0.000 2.382 389 S HA -0.203 4.266 4.470 -0.001 0.000 0.228 389 S C 1.564 176.185 174.600 0.034 0.000 1.027 389 S CA 1.237 59.458 58.200 0.036 0.000 0.991 389 S CB -0.569 62.657 63.200 0.042 0.000 0.823 389 S HN 0.600 nan 8.310 nan 0.000 0.469 390 D N 2.231 122.651 120.400 0.034 0.000 2.350 390 D HA 0.109 4.749 4.640 -0.001 0.000 0.216 390 D C 1.370 177.684 176.300 0.022 0.000 0.968 390 D CA 0.951 54.970 54.000 0.031 0.000 0.894 390 D CB -0.332 40.486 40.800 0.030 0.000 0.909 390 D HN 0.593 nan 8.370 nan 0.000 0.520 391 A N -0.433 122.398 122.820 0.018 0.000 2.390 391 A HA 0.643 4.963 4.320 -0.001 0.000 0.232 391 A C 1.726 179.316 177.584 0.010 0.000 1.233 391 A CA 0.242 52.286 52.037 0.012 0.000 0.907 391 A CB 0.261 19.267 19.000 0.011 0.000 0.967 391 A HN 0.273 nan 8.150 nan 0.000 0.512 392 A N 0.152 122.979 122.820 0.012 0.000 2.610 392 A HA 0.351 4.671 4.320 -0.001 0.000 0.286 392 A C 1.495 179.079 177.584 0.001 0.000 1.306 392 A CA 0.827 52.868 52.037 0.007 0.000 0.942 392 A CB -0.957 18.050 19.000 0.011 0.000 1.112 392 A HN 0.484 nan 8.150 nan 0.000 0.527 393 T N -4.809 109.745 114.554 -0.000 0.000 3.129 393 T HA 0.239 4.588 4.350 -0.001 0.000 0.251 393 T C 1.278 175.963 174.700 -0.024 0.000 1.117 393 T CA 1.197 63.292 62.100 -0.008 0.000 1.034 393 T CB 0.027 68.893 68.868 -0.003 0.000 0.968 393 T HN 0.396 nan 8.240 nan 0.000 0.526 394 K N -0.024 120.363 120.400 -0.022 0.000 2.373 394 K HA 0.335 4.655 4.320 -0.001 0.000 0.200 394 K C 1.068 177.648 176.600 -0.034 0.000 1.054 394 K CA -0.189 56.080 56.287 -0.031 0.000 1.065 394 K CB -0.060 32.428 32.500 -0.019 0.000 0.886 394 K HN 0.355 nan 8.250 nan 0.000 0.546 395 Q N 0.691 120.475 119.800 -0.027 0.000 2.454 395 Q HA 0.252 4.591 4.340 -0.001 0.000 0.247 395 Q C -0.650 175.328 176.000 -0.037 0.000 1.028 395 Q CA 0.448 56.236 55.803 -0.025 0.000 0.910 395 Q CB 1.068 29.797 28.738 -0.015 0.000 1.276 395 Q HN 0.627 nan 8.270 nan 0.000 0.489 396 E N -1.463 118.718 120.200 -0.032 0.000 2.370 396 E HA 0.526 4.876 4.350 -0.001 0.000 0.259 396 E C -0.307 176.276 176.600 -0.028 0.000 0.947 396 E CA -0.265 56.113 56.400 -0.037 0.000 0.809 396 E CB 1.347 31.025 29.700 -0.037 0.000 1.300 396 E HN 0.726 nan 8.360 nan 0.000 0.419 397 G N 1.114 109.897 108.800 -0.028 0.000 2.246 397 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.273 397 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.273 397 G C 0.382 175.269 174.900 -0.022 0.000 1.055 397 G CA 0.422 45.509 45.100 -0.023 0.000 0.851 397 G HN 0.225 nan 8.290 nan 0.000 0.500 398 M N -0.646 118.938 119.600 -0.027 0.000 2.333 398 M HA 0.206 4.686 4.480 -0.001 0.000 0.257 398 M C 1.699 177.984 176.300 -0.025 0.000 1.078 398 M CA 0.471 55.757 55.300 -0.024 0.000 1.005 398 M CB 0.043 32.627 32.600 -0.027 0.000 1.444 398 M HN 0.516 nan 8.290 nan 0.000 0.496 399 E N 1.251 121.435 120.200 -0.026 0.000 2.097 399 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 399 E C 1.984 178.571 176.600 -0.022 0.000 1.000 399 E CA 1.834 58.219 56.400 -0.025 0.000 0.804 399 E CB 0.024 29.711 29.700 -0.023 0.000 0.740 399 E HN 0.524 nan 8.360 nan 0.000 0.454 400 G N 0.991 109.778 108.800 -0.022 0.000 2.404 400 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.215 400 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.215 400 G C 1.486 176.373 174.900 -0.022 0.000 1.174 400 G CA 0.806 45.892 45.100 -0.023 0.000 0.780 400 G HN 0.317 nan 8.290 nan 0.000 0.537 401 L N 0.647 121.859 121.223 -0.019 0.000 2.017 401 L HA 0.101 4.440 4.340 -0.001 0.000 0.208 401 L C 2.701 179.563 176.870 -0.014 0.000 1.073 401 L CA 1.420 56.251 54.840 -0.014 0.000 0.745 401 L CB -0.592 41.462 42.059 -0.009 0.000 0.894 401 L HN 0.206 nan 8.230 nan 0.000 0.432 402 L N -0.404 120.810 121.223 -0.015 0.000 2.042 402 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 402 L C 2.556 179.416 176.870 -0.017 0.000 1.076 402 L CA 1.403 56.234 54.840 -0.016 0.000 0.749 402 L CB -1.547 40.500 42.059 -0.019 0.000 0.893 402 L HN 0.503 nan 8.230 nan 0.000 0.432 403 G N -0.820 107.968 108.800 -0.019 0.000 2.421 403 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.216 403 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.216 403 G C 1.566 176.455 174.900 -0.019 0.000 1.171 403 G CA 1.261 46.350 45.100 -0.019 0.000 0.775 403 G HN 0.298 nan 8.290 nan 0.000 0.543 404 T N 1.295 115.837 114.554 -0.020 0.000 2.833 404 T HA -0.008 4.341 4.350 -0.001 0.000 0.269 404 T C 2.395 177.082 174.700 -0.021 0.000 1.054 404 T CA 0.792 62.880 62.100 -0.021 0.000 1.135 404 T CB -0.124 68.731 68.868 -0.022 0.000 0.869 404 T HN 0.144 nan 8.240 nan 0.000 0.466 405 L N 0.381 121.593 121.223 -0.018 0.000 2.072 405 L HA -0.019 4.320 4.340 -0.001 0.000 0.205 405 L C 2.647 179.505 176.870 -0.020 0.000 1.079 405 L CA 0.656 55.486 54.840 -0.018 0.000 0.752 405 L CB -0.562 41.489 42.059 -0.013 0.000 0.906 405 L HN 0.116 nan 8.230 nan 0.000 0.436 406 V N 0.666 120.569 119.914 -0.019 0.000 2.332 406 V HA -0.308 3.812 4.120 -0.001 0.000 0.248 406 V C 2.554 178.633 176.094 -0.024 0.000 1.055 406 V CA 2.214 64.501 62.300 -0.022 0.000 1.038 406 V CB -0.732 31.078 31.823 -0.022 0.000 0.651 406 V HN 0.669 nan 8.190 nan 0.000 0.450 407 Q N -0.468 119.318 119.800 -0.023 0.000 2.378 407 Q HA -0.034 4.306 4.340 -0.001 0.000 0.205 407 Q C 2.016 178.001 176.000 -0.025 0.000 0.954 407 Q CA 1.201 56.989 55.803 -0.024 0.000 0.901 407 Q CB -0.285 28.440 28.738 -0.021 0.000 0.981 407 Q HN 0.531 nan 8.270 nan 0.000 0.483 408 L N 0.628 121.835 121.223 -0.026 0.000 2.376 408 L HA -0.036 4.304 4.340 -0.001 0.000 0.219 408 L C 2.060 178.912 176.870 -0.029 0.000 1.133 408 L CA 0.393 55.215 54.840 -0.030 0.000 0.816 408 L CB -0.160 41.879 42.059 -0.034 0.000 0.933 408 L HN 0.272 nan 8.230 nan 0.000 0.449 409 L N -0.606 120.602 121.223 -0.026 0.000 2.275 409 L HA -0.073 4.267 4.340 -0.001 0.000 0.215 409 L C 2.286 179.142 176.870 -0.023 0.000 1.119 409 L CA 0.934 55.759 54.840 -0.024 0.000 0.790 409 L CB -0.682 41.362 42.059 -0.024 0.000 0.919 409 L HN 0.276 nan 8.230 nan 0.000 0.443 410 G N -1.164 107.621 108.800 -0.024 0.000 2.985 410 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.209 410 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.209 410 G C 0.742 175.630 174.900 -0.021 0.000 1.165 410 G CA -0.069 45.018 45.100 -0.022 0.000 0.776 410 G HN 0.215 nan 8.290 nan 0.000 0.541 411 S N 0.911 116.596 115.700 -0.024 0.000 2.563 411 S HA 0.038 4.507 4.470 -0.001 0.000 0.284 411 S C 1.744 176.331 174.600 -0.022 0.000 1.331 411 S CA 0.269 58.453 58.200 -0.026 0.000 1.047 411 S CB 0.691 63.871 63.200 -0.033 0.000 0.859 411 S HN 0.458 nan 8.310 nan 0.000 0.514 412 D N 1.877 122.264 120.400 -0.021 0.000 2.350 412 D HA -0.087 4.553 4.640 -0.001 0.000 0.216 412 D C 0.113 176.402 176.300 -0.018 0.000 0.968 412 D CA 0.497 54.487 54.000 -0.018 0.000 0.894 412 D CB -0.205 40.585 40.800 -0.017 0.000 0.909 412 D HN 0.455 nan 8.370 nan 0.000 0.520 413 D N 0.259 120.645 120.400 -0.024 0.000 2.454 413 D HA 0.073 4.713 4.640 -0.001 0.000 0.225 413 D C 0.842 177.128 176.300 -0.023 0.000 1.081 413 D CA -0.766 53.219 54.000 -0.025 0.000 0.864 413 D CB 0.775 41.552 40.800 -0.038 0.000 1.040 413 D HN -0.109 nan 8.370 nan 0.000 0.517 414 I N 4.143 124.705 120.570 -0.012 0.000 2.567 414 I HA -0.206 3.963 4.170 -0.001 0.000 0.257 414 I C 1.350 177.465 176.117 -0.003 0.000 1.184 414 I CA 1.007 62.303 61.300 -0.006 0.000 1.451 414 I CB -0.158 37.843 38.000 0.002 0.000 1.089 414 I HN 0.298 nan 8.210 nan 0.000 0.441 415 N N -0.188 118.509 118.700 -0.004 0.000 2.142 415 N HA -0.108 4.631 4.740 -0.001 0.000 0.186 415 N C 1.984 177.468 175.510 -0.043 0.000 1.023 415 N CA 1.557 54.607 53.050 0.001 0.000 0.852 415 N CB -0.528 37.966 38.487 0.013 0.000 0.998 415 N HN 0.229 nan 8.380 nan 0.000 0.424 416 V N 0.608 120.478 119.914 -0.073 0.000 2.255 416 V HA -0.212 3.908 4.120 -0.001 0.000 0.247 416 V C 2.347 178.407 176.094 -0.056 0.000 1.051 416 V CA 1.352 63.596 62.300 -0.092 0.000 1.018 416 V CB -0.647 31.124 31.823 -0.085 0.000 0.641 416 V HN 0.087 nan 8.190 nan 0.000 0.445 417 V N -0.212 119.681 119.914 -0.036 0.000 2.324 417 V HA -0.322 3.797 4.120 -0.001 0.000 0.250 417 V C 2.554 178.641 176.094 -0.012 0.000 1.060 417 V CA 2.730 65.017 62.300 -0.022 0.000 1.042 417 V CB -1.110 30.703 31.823 -0.016 0.000 0.650 417 V HN 0.635 nan 8.190 nan 0.000 0.450 418 T N -1.439 113.113 114.554 -0.003 0.000 2.708 418 T HA -0.243 4.107 4.350 -0.001 0.000 0.266 418 T C 1.968 176.680 174.700 0.020 0.000 1.037 418 T CA 1.929 64.038 62.100 0.015 0.000 1.146 418 T CB -0.518 68.370 68.868 0.033 0.000 0.865 418 T HN 0.529 nan 8.240 nan 0.000 0.435 419 C N 1.424 120.731 119.300 0.012 0.000 2.432 419 C HA 0.022 4.482 4.460 -0.001 0.000 0.277 419 C C 3.222 178.215 174.990 0.006 0.000 1.249 419 C CA 0.541 59.569 59.018 0.016 0.000 1.725 419 C CB -1.392 26.324 27.740 -0.040 0.000 2.028 419 C HN 0.669 nan 8.230 nan 0.000 0.477 420 A N 0.212 123.023 122.820 -0.014 0.000 1.948 420 A HA -0.054 4.265 4.320 -0.001 0.000 0.220 420 A C 2.326 179.907 177.584 -0.004 0.000 1.177 420 A CA 2.336 54.365 52.037 -0.013 0.000 0.636 420 A CB -0.888 18.099 19.000 -0.022 0.000 0.815 420 A HN 0.639 nan 8.150 nan 0.000 0.449 421 A N -0.711 122.107 122.820 -0.003 0.000 1.898 421 A HA 0.164 4.484 4.320 -0.001 0.000 0.216 421 A C 2.402 179.985 177.584 -0.000 0.000 1.181 421 A CA 1.880 53.914 52.037 -0.005 0.000 0.620 421 A CB -1.283 17.714 19.000 -0.005 0.000 0.819 421 A HN 0.712 nan 8.150 nan 0.000 0.442 422 G N -0.062 108.747 108.800 0.014 0.000 2.394 422 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.215 422 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.215 422 G C 1.523 176.441 174.900 0.031 0.000 1.165 422 G CA 1.014 46.129 45.100 0.025 0.000 0.784 422 G HN 0.448 nan 8.290 nan 0.000 0.535 423 I N 0.377 120.966 120.570 0.030 0.000 2.127 423 I HA -0.182 3.988 4.170 -0.001 0.000 0.241 423 I C 2.751 178.885 176.117 0.029 0.000 1.075 423 I CA 0.866 62.185 61.300 0.032 0.000 1.334 423 I CB -0.255 37.759 38.000 0.024 0.000 1.040 423 I HN 0.104 nan 8.210 nan 0.000 0.405 424 L N -0.298 120.935 121.223 0.017 0.000 2.042 424 L HA -0.260 4.080 4.340 -0.001 0.000 0.210 424 L C 2.752 179.638 176.870 0.027 0.000 1.076 424 L CA 1.448 56.298 54.840 0.016 0.000 0.749 424 L CB -0.504 41.555 42.059 0.000 0.000 0.893 424 L HN 0.257 nan 8.230 nan 0.000 0.432 425 S N -0.141 115.562 115.700 0.005 0.000 2.359 425 S HA -0.194 4.276 4.470 -0.001 0.000 0.224 425 S C 1.847 176.517 174.600 0.117 0.000 1.035 425 S CA 1.709 59.894 58.200 -0.026 0.000 1.018 425 S CB -0.168 62.998 63.200 -0.057 0.000 0.876 425 S HN 0.441 nan 8.310 nan 0.000 0.448 426 N N 1.116 119.877 118.700 0.102 0.000 2.216 426 N HA 0.091 4.831 4.740 -0.001 0.000 0.183 426 N C 1.715 177.287 175.510 0.103 0.000 1.017 426 N CA 0.882 54.002 53.050 0.118 0.000 0.861 426 N CB -0.510 38.022 38.487 0.075 0.000 0.986 426 N HN 0.398 nan 8.380 nan 0.000 0.428 427 L N 0.621 121.890 121.223 0.077 0.000 2.201 427 L HA -0.083 4.257 4.340 -0.001 0.000 0.212 427 L C 1.997 178.906 176.870 0.064 0.000 1.105 427 L CA 1.272 56.143 54.840 0.051 0.000 0.775 427 L CB -0.675 41.401 42.059 0.029 0.000 0.913 427 L HN 0.282 nan 8.230 nan 0.000 0.440 428 T N -4.116 110.516 114.554 0.130 0.000 3.088 428 T HA -0.064 4.286 4.350 -0.001 0.000 0.259 428 T C 1.021 175.814 174.700 0.155 0.000 1.122 428 T CA -0.279 61.917 62.100 0.160 0.000 1.095 428 T CB -0.765 68.226 68.868 0.205 0.000 0.930 428 T HN 0.260 nan 8.240 nan 0.000 0.508 429 C N 3.282 122.662 119.300 0.134 0.000 2.638 429 C HA 0.217 4.676 4.460 -0.001 0.000 0.400 429 C C 1.096 176.016 174.990 -0.117 0.000 1.421 429 C CA -0.087 58.810 59.018 -0.202 0.000 1.492 429 C CB -2.711 24.984 27.740 -0.075 0.000 2.372 429 C HN 0.857 nan 8.230 nan 0.000 0.618 430 N N 2.801 121.422 118.700 -0.131 0.000 2.714 430 N HA -0.269 4.470 4.740 -0.001 0.000 0.250 430 N C -0.526 174.991 175.510 0.011 0.000 1.117 430 N CA 1.108 54.138 53.050 -0.034 0.000 0.719 430 N CB -1.204 37.263 38.487 -0.035 0.000 1.081 430 N HN 0.930 nan 8.380 nan 0.000 0.557 431 N N -0.193 118.512 118.700 0.008 0.000 2.569 431 N HA 0.206 4.946 4.740 -0.001 0.000 0.254 431 N C 0.863 176.357 175.510 -0.027 0.000 1.004 431 N CA -0.789 52.233 53.050 -0.047 0.000 0.904 431 N CB 0.516 38.962 38.487 -0.068 0.000 1.165 431 N HN 0.297 nan 8.380 nan 0.000 0.513 432 Y N 2.841 123.153 120.300 0.021 0.000 2.293 432 Y HA 0.102 4.651 4.550 -0.001 0.000 0.291 432 Y C 1.507 177.390 175.900 -0.028 0.000 1.137 432 Y CA 0.651 58.770 58.100 0.032 0.000 1.202 432 Y CB -0.028 38.474 38.460 0.069 0.000 0.990 432 Y HN 0.268 nan 8.280 nan 0.000 0.537 433 K N 1.078 121.239 120.400 -0.399 0.000 2.057 433 K HA -0.126 4.194 4.320 -0.001 0.000 0.206 433 K C 1.548 178.071 176.600 -0.128 0.000 1.050 433 K CA 1.588 57.737 56.287 -0.230 0.000 0.935 433 K CB -0.438 31.864 32.500 -0.330 0.000 0.715 433 K HN 0.597 nan 8.250 nan 0.000 0.439 434 N N 0.919 119.543 118.700 -0.126 0.000 2.188 434 N HA -0.113 4.627 4.740 -0.001 0.000 0.184 434 N C 1.716 177.182 175.510 -0.072 0.000 1.018 434 N CA 0.716 53.719 53.050 -0.077 0.000 0.858 434 N CB 0.043 38.498 38.487 -0.052 0.000 0.989 434 N HN 0.168 nan 8.380 nan 0.000 0.426 435 K N 0.636 120.983 120.400 -0.088 0.000 2.032 435 K HA -0.064 4.255 4.320 -0.001 0.000 0.209 435 K C 2.083 178.499 176.600 -0.307 0.000 1.048 435 K CA 1.114 57.300 56.287 -0.168 0.000 0.927 435 K CB -0.019 32.369 32.500 -0.187 0.000 0.712 435 K HN 0.184 nan 8.250 nan 0.000 0.441 436 M N 0.002 119.428 119.600 -0.289 0.000 2.086 436 M HA -0.143 4.337 4.480 -0.001 0.000 0.261 436 M C 2.320 178.559 176.300 -0.101 0.000 1.067 436 M CA 1.291 56.468 55.300 -0.204 0.000 1.116 436 M CB -0.436 32.119 32.600 -0.075 0.000 1.348 436 M HN 0.229 nan 8.290 nan 0.000 0.407 437 M N 0.044 119.599 119.600 -0.075 0.000 2.175 437 M HA -0.111 4.368 4.480 -0.001 0.000 0.264 437 M C 2.086 178.362 176.300 -0.040 0.000 1.063 437 M CA 1.275 56.547 55.300 -0.046 0.000 1.119 437 M CB -0.687 31.888 32.600 -0.041 0.000 1.377 437 M HN 0.058 nan 8.290 nan 0.000 0.415 438 V N -0.835 119.050 119.914 -0.048 0.000 2.427 438 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 438 V C 2.436 178.516 176.094 -0.022 0.000 1.051 438 V CA 1.470 63.752 62.300 -0.030 0.000 1.048 438 V CB -0.690 31.120 31.823 -0.022 0.000 0.666 438 V HN 0.505 nan 8.190 nan 0.000 0.456 439 C N -0.581 118.700 119.300 -0.031 0.000 2.435 439 C HA -0.135 4.324 4.460 -0.001 0.000 0.279 439 C C 2.721 177.715 174.990 0.006 0.000 1.321 439 C CA 0.699 59.717 59.018 -0.000 0.000 1.752 439 C CB -1.010 26.736 27.740 0.010 0.000 1.959 439 C HN 0.594 nan 8.230 nan 0.000 0.500 440 Q N 0.331 120.127 119.800 -0.006 0.000 2.311 440 Q HA -0.036 4.304 4.340 -0.001 0.000 0.203 440 Q C 1.754 177.754 176.000 0.000 0.000 0.954 440 Q CA 1.120 56.924 55.803 0.001 0.000 0.885 440 Q CB 0.033 28.769 28.738 -0.003 0.000 0.963 440 Q HN 0.732 nan 8.270 nan 0.000 0.471 441 V N -3.429 116.481 119.914 -0.007 0.000 3.331 441 V HA 0.491 4.611 4.120 -0.001 0.000 0.332 441 V C 0.731 176.817 176.094 -0.013 0.000 1.341 441 V CA 0.358 62.652 62.300 -0.009 0.000 1.218 441 V CB -0.343 31.472 31.823 -0.014 0.000 1.152 441 V HN 0.309 nan 8.190 nan 0.000 0.445 442 G N -0.189 108.606 108.800 -0.009 0.000 2.171 442 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.238 442 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.238 442 G C 0.857 175.732 174.900 -0.041 0.000 1.039 442 G CA 0.215 45.301 45.100 -0.023 0.000 0.759 442 G HN 1.168 nan 8.290 nan 0.000 0.501 443 G N 0.079 108.866 108.800 -0.022 0.000 2.408 443 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.217 443 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.217 443 G C 1.734 176.620 174.900 -0.024 0.000 1.150 443 G CA 1.320 46.407 45.100 -0.022 0.000 0.776 443 G HN 0.482 nan 8.290 nan 0.000 0.542 444 I N 1.015 121.580 120.570 -0.009 0.000 2.226 444 I HA -0.124 4.045 4.170 -0.001 0.000 0.245 444 I C 2.502 178.582 176.117 -0.063 0.000 1.100 444 I CA 1.364 62.667 61.300 0.006 0.000 1.374 444 I CB -0.949 37.093 38.000 0.070 0.000 1.057 444 I HN 0.370 nan 8.210 nan 0.000 0.413 445 E N 1.080 121.157 120.200 -0.204 0.000 2.047 445 E HA -0.185 4.165 4.350 -0.001 0.000 0.191 445 E C 2.306 178.793 176.600 -0.188 0.000 0.987 445 E CA 1.316 57.469 56.400 -0.412 0.000 0.799 445 E CB 0.090 29.339 29.700 -0.752 0.000 0.752 445 E HN 0.403 nan 8.360 nan 0.000 0.449 446 A N 0.983 123.728 122.820 -0.125 0.000 1.933 446 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 446 A C 2.179 179.736 177.584 -0.045 0.000 1.175 446 A CA 1.103 53.097 52.037 -0.071 0.000 0.628 446 A CB -0.561 18.407 19.000 -0.054 0.000 0.814 446 A HN 0.305 nan 8.150 nan 0.000 0.444 447 L N -0.850 120.350 121.223 -0.037 0.000 2.109 447 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 447 L C 2.500 179.366 176.870 -0.007 0.000 1.086 447 L CA 0.693 55.522 54.840 -0.018 0.000 0.760 447 L CB -0.384 41.668 42.059 -0.012 0.000 0.910 447 L HN 0.234 nan 8.230 nan 0.000 0.437 448 V N -0.129 119.782 119.914 -0.004 0.000 2.295 448 V HA -0.282 3.837 4.120 -0.001 0.000 0.246 448 V C 2.577 178.682 176.094 0.018 0.000 1.049 448 V CA 1.722 64.035 62.300 0.021 0.000 1.024 448 V CB -0.601 31.251 31.823 0.049 0.000 0.648 448 V HN 0.402 nan 8.190 nan 0.000 0.447 449 R N -0.438 120.060 120.500 -0.003 0.000 2.120 449 R HA -0.139 4.200 4.340 -0.001 0.000 0.234 449 R C 2.344 178.644 176.300 0.001 0.000 1.123 449 R CA 1.816 57.916 56.100 0.000 0.000 0.975 449 R CB -0.536 29.753 30.300 -0.017 0.000 0.866 449 R HN 0.512 nan 8.270 nan 0.000 0.446 450 T N 0.289 114.841 114.554 -0.004 0.000 2.857 450 T HA -0.058 4.291 4.350 -0.001 0.000 0.266 450 T C 1.891 176.594 174.700 0.005 0.000 1.048 450 T CA 1.014 63.112 62.100 -0.002 0.000 1.139 450 T CB -0.001 68.863 68.868 -0.006 0.000 0.874 450 T HN 0.002 nan 8.240 nan 0.000 0.455 451 V N 1.391 121.311 119.914 0.011 0.000 2.515 451 V HA -0.049 4.071 4.120 -0.001 0.000 0.250 451 V C 2.328 178.434 176.094 0.020 0.000 1.058 451 V CA 1.289 63.599 62.300 0.017 0.000 1.064 451 V CB -0.576 31.261 31.823 0.024 0.000 0.675 451 V HN 0.428 nan 8.190 nan 0.000 0.461 452 L N -1.002 120.233 121.223 0.021 0.000 2.095 452 L HA -0.040 4.300 4.340 -0.001 0.000 0.204 452 L C 2.754 179.631 176.870 0.012 0.000 1.080 452 L CA 1.213 56.065 54.840 0.020 0.000 0.759 452 L CB -0.617 41.456 42.059 0.025 0.000 0.914 452 L HN 0.128 nan 8.230 nan 0.000 0.439 453 R N 0.248 120.753 120.500 0.008 0.000 2.117 453 R HA -0.188 4.151 4.340 -0.001 0.000 0.243 453 R C 2.262 178.565 176.300 0.006 0.000 1.143 453 R CA 1.566 57.669 56.100 0.005 0.000 0.968 453 R CB -0.467 29.834 30.300 0.002 0.000 0.863 453 R HN 0.384 nan 8.270 nan 0.000 0.444 454 A N 0.232 123.056 122.820 0.008 0.000 2.014 454 A HA 0.100 4.420 4.320 -0.001 0.000 0.218 454 A C 1.484 179.074 177.584 0.010 0.000 1.163 454 A CA 1.364 53.406 52.037 0.009 0.000 0.652 454 A CB -0.477 18.529 19.000 0.010 0.000 0.808 454 A HN 0.502 nan 8.150 nan 0.000 0.449 455 G N 0.654 109.460 108.800 0.011 0.000 2.591 455 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.298 455 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.298 455 G C 0.388 175.298 174.900 0.015 0.000 1.195 455 G CA 1.080 46.187 45.100 0.011 0.000 0.989 455 G HN 1.012 nan 8.290 nan 0.000 0.551 456 D N 0.645 121.054 120.400 0.016 0.000 2.325 456 D HA 0.194 4.834 4.640 -0.001 0.000 0.225 456 D C 1.206 177.516 176.300 0.016 0.000 1.096 456 D CA 0.012 54.025 54.000 0.021 0.000 0.844 456 D CB -0.048 40.768 40.800 0.026 0.000 0.925 456 D HN 0.524 nan 8.370 nan 0.000 0.513 457 R N 1.122 121.628 120.500 0.010 0.000 2.351 457 R HA 0.122 4.461 4.340 -0.001 0.000 0.321 457 R C 0.574 176.874 176.300 0.000 0.000 1.182 457 R CA 0.015 56.117 56.100 0.002 0.000 1.011 457 R CB 0.260 30.563 30.300 0.005 0.000 1.048 457 R HN 0.226 nan 8.270 nan 0.000 0.490 458 E N 1.518 121.710 120.200 -0.014 0.000 2.347 458 E HA -0.181 4.169 4.350 -0.001 0.000 0.196 458 E C 0.849 177.443 176.600 -0.010 0.000 1.008 458 E CA 0.869 57.261 56.400 -0.013 0.000 0.852 458 E CB 0.213 29.888 29.700 -0.043 0.000 0.783 458 E HN 0.675 nan 8.360 nan 0.000 0.505 459 D N 0.900 121.292 120.400 -0.013 0.000 2.264 459 D HA -0.147 4.492 4.640 -0.001 0.000 0.208 459 D C 1.772 178.080 176.300 0.013 0.000 0.966 459 D CA 0.771 54.772 54.000 0.002 0.000 0.864 459 D CB -0.070 40.733 40.800 0.006 0.000 0.933 459 D HN 0.314 nan 8.370 nan 0.000 0.499 460 I N 1.006 121.583 120.570 0.011 0.000 2.729 460 I HA -0.121 4.049 4.170 -0.001 0.000 0.256 460 I C 2.539 178.662 176.117 0.010 0.000 1.115 460 I CA 1.191 62.498 61.300 0.012 0.000 1.446 460 I CB -0.502 37.504 38.000 0.011 0.000 1.176 460 I HN -0.005 nan 8.210 nan 0.000 0.446 461 T N -1.398 113.163 114.554 0.012 0.000 2.915 461 T HA -0.170 4.179 4.350 -0.001 0.000 0.269 461 T C 1.633 176.342 174.700 0.016 0.000 1.071 461 T CA 1.208 63.317 62.100 0.015 0.000 1.132 461 T CB -0.308 68.573 68.868 0.022 0.000 0.878 461 T HN 0.393 nan 8.240 nan 0.000 0.479 462 E N 2.132 122.342 120.200 0.018 0.000 2.017 462 E HA -0.091 4.258 4.350 -0.001 0.000 0.193 462 E C -0.360 176.245 176.600 0.008 0.000 0.997 462 E CA 1.135 57.548 56.400 0.023 0.000 0.804 462 E CB -0.598 29.120 29.700 0.030 0.000 0.757 462 E HN 0.424 nan 8.360 nan 0.000 0.448 463 P HA -0.103 nan 4.420 nan 0.000 0.217 463 P C 1.113 178.390 177.300 -0.038 0.000 1.150 463 P CA 1.772 64.864 63.100 -0.014 0.000 0.832 463 P CB -0.071 31.631 31.700 0.003 0.000 0.787 464 A N 0.327 123.134 122.820 -0.021 0.000 1.902 464 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 464 A C 2.303 179.868 177.584 -0.032 0.000 1.181 464 A CA 1.338 53.360 52.037 -0.024 0.000 0.623 464 A CB -1.337 17.658 19.000 -0.008 0.000 0.818 464 A HN 0.039 nan 8.150 nan 0.000 0.443 465 I N -0.297 120.262 120.570 -0.018 0.000 2.353 465 I HA -0.217 3.952 4.170 -0.001 0.000 0.248 465 I C 2.525 178.615 176.117 -0.045 0.000 1.119 465 I CA 0.960 62.254 61.300 -0.010 0.000 1.417 465 I CB -1.423 36.587 38.000 0.018 0.000 1.078 465 I HN 0.363 nan 8.210 nan 0.000 0.421 466 C N 0.948 120.199 119.300 -0.081 0.000 2.429 466 C HA -0.123 4.337 4.460 -0.001 0.000 0.277 466 C C 3.157 177.854 174.990 -0.489 0.000 1.262 466 C CA 1.007 59.912 59.018 -0.188 0.000 1.733 466 C CB -1.187 26.467 27.740 -0.142 0.000 2.010 466 C HN 0.588 nan 8.230 nan 0.000 0.483 467 A N 0.108 122.719 122.820 -0.349 0.000 1.930 467 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 467 A C 2.097 179.597 177.584 -0.140 0.000 1.175 467 A CA 1.306 53.152 52.037 -0.319 0.000 0.627 467 A CB -0.562 18.357 19.000 -0.135 0.000 0.815 467 A HN 0.605 nan 8.150 nan 0.000 0.443 468 L N -0.917 120.264 121.223 -0.069 0.000 2.083 468 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 468 L C 2.759 179.654 176.870 0.042 0.000 1.083 468 L CA 1.664 56.508 54.840 0.007 0.000 0.752 468 L CB -0.442 41.626 42.059 0.016 0.000 0.899 468 L HN 0.494 nan 8.230 nan 0.000 0.433 469 R N -0.581 119.933 120.500 0.023 0.000 2.080 469 R HA -0.221 4.118 4.340 -0.001 0.000 0.236 469 R C 2.418 178.850 176.300 0.219 0.000 1.137 469 R CA 1.892 58.056 56.100 0.107 0.000 0.943 469 R CB -0.263 30.110 30.300 0.121 0.000 0.846 469 R HN 0.368 nan 8.270 nan 0.000 0.431 470 H N 0.496 119.609 119.070 0.071 0.000 2.353 470 H HA -0.097 4.458 4.556 -0.001 0.000 0.300 470 H C 1.995 177.404 175.328 0.135 0.000 1.090 470 H CA 1.512 57.612 56.048 0.088 0.000 1.327 470 H CB -0.378 29.430 29.762 0.078 0.000 1.383 470 H HN 0.242 nan 8.280 nan 0.000 0.508 471 L N 0.622 122.005 121.223 0.266 0.000 2.478 471 L HA -0.025 4.315 4.340 -0.001 0.000 0.223 471 L C 1.427 178.473 176.870 0.292 0.000 1.140 471 L CA 1.274 56.297 54.840 0.305 0.000 0.842 471 L CB -0.209 41.962 42.059 0.185 0.000 0.953 471 L HN 0.330 nan 8.230 nan 0.000 0.452 472 T N -4.210 110.430 114.554 0.144 0.000 3.186 472 T HA 0.217 4.567 4.350 -0.001 0.000 0.257 472 T C 0.377 175.060 174.700 -0.029 0.000 1.029 472 T CA -0.316 61.809 62.100 0.042 0.000 0.916 472 T CB -0.096 68.800 68.868 0.047 0.000 1.041 472 T HN 0.162 nan 8.240 nan 0.000 0.562 473 S N 0.949 116.628 115.700 -0.035 0.000 2.540 473 S HA 0.658 5.127 4.470 -0.001 0.000 0.275 473 S C -0.456 174.080 174.600 -0.108 0.000 1.123 473 S CA -1.308 56.851 58.200 -0.067 0.000 0.907 473 S CB 1.663 64.868 63.200 0.008 0.000 1.081 473 S HN 0.366 nan 8.310 nan 0.000 0.476 474 R N 0.854 121.274 120.500 -0.133 0.000 3.209 474 R HA -0.196 4.144 4.340 -0.001 0.000 0.252 474 R C -0.792 175.514 176.300 0.009 0.000 0.958 474 R CA 1.273 57.337 56.100 -0.060 0.000 0.651 474 R CB -2.662 27.642 30.300 0.008 0.000 1.142 474 R HN 1.101 nan 8.270 nan 0.000 0.441 475 H N -4.772 114.307 119.070 0.015 0.000 2.987 475 H HA 0.198 4.753 4.556 -0.001 0.000 0.316 475 H C 0.439 175.767 175.328 0.000 0.000 1.380 475 H CA -0.693 55.365 56.048 0.016 0.000 1.160 475 H CB 0.553 30.374 29.762 0.098 0.000 1.865 475 H HN -0.076 nan 8.280 nan 0.000 0.521 476 Q N -0.472 119.448 119.800 0.199 0.000 2.197 476 Q HA -0.166 4.174 4.340 -0.001 0.000 0.211 476 Q C 0.534 176.627 176.000 0.154 0.000 0.993 476 Q CA 2.231 58.105 55.803 0.119 0.000 0.883 476 Q CB 0.125 28.919 28.738 0.092 0.000 0.916 476 Q HN 0.615 nan 8.270 nan 0.000 0.418 477 E N -1.411 119.019 120.200 0.383 0.000 2.451 477 E HA 0.133 4.483 4.350 -0.001 0.000 0.194 477 E C 0.919 177.642 176.600 0.205 0.000 1.027 477 E CA 0.417 56.980 56.400 0.272 0.000 0.914 477 E CB 0.577 30.421 29.700 0.239 0.000 1.054 477 E HN 0.380 nan 8.360 nan 0.000 0.461 478 A N 1.362 124.052 122.820 -0.217 0.000 1.933 478 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 478 A C 2.328 179.836 177.584 -0.128 0.000 1.175 478 A CA 2.032 53.807 52.037 -0.436 0.000 0.628 478 A CB -0.419 18.219 19.000 -0.603 0.000 0.814 478 A HN 0.345 nan 8.150 nan 0.000 0.444 479 E N -0.699 119.451 120.200 -0.083 0.000 2.106 479 E HA -0.102 4.247 4.350 -0.001 0.000 0.192 479 E C 1.965 178.553 176.600 -0.019 0.000 0.984 479 E CA 1.443 57.813 56.400 -0.049 0.000 0.806 479 E CB -0.651 29.022 29.700 -0.046 0.000 0.750 479 E HN 0.671 nan 8.360 nan 0.000 0.458 480 M N -0.327 119.279 119.600 0.009 0.000 2.175 480 M HA 0.009 4.489 4.480 -0.001 0.000 0.264 480 M C 2.687 179.010 176.300 0.039 0.000 1.063 480 M CA 1.422 56.736 55.300 0.024 0.000 1.119 480 M CB -0.103 32.523 32.600 0.044 0.000 1.377 480 M HN 0.469 nan 8.290 nan 0.000 0.415 481 A N -0.251 122.610 122.820 0.068 0.000 1.930 481 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 481 A C 1.827 179.439 177.584 0.047 0.000 1.175 481 A CA 1.520 53.606 52.037 0.082 0.000 0.627 481 A CB -0.612 18.469 19.000 0.134 0.000 0.815 481 A HN 0.605 nan 8.150 nan 0.000 0.443 482 Q N -0.250 119.559 119.800 0.016 0.000 2.124 482 Q HA -0.117 4.222 4.340 -0.001 0.000 0.202 482 Q C 1.867 177.859 176.000 -0.013 0.000 0.977 482 Q CA 1.483 57.285 55.803 -0.001 0.000 0.850 482 Q CB -0.135 28.589 28.738 -0.023 0.000 0.901 482 Q HN 0.659 nan 8.270 nan 0.000 0.429 483 N N -0.058 118.629 118.700 -0.022 0.000 2.216 483 N HA -0.063 4.676 4.740 -0.001 0.000 0.183 483 N C 1.619 177.099 175.510 -0.051 0.000 1.017 483 N CA 1.120 54.142 53.050 -0.046 0.000 0.861 483 N CB -0.027 38.429 38.487 -0.051 0.000 0.986 483 N HN 0.190 nan 8.380 nan 0.000 0.428 484 A N 0.945 123.760 122.820 -0.009 0.000 1.969 484 A HA -0.036 4.284 4.320 -0.001 0.000 0.218 484 A C 2.471 180.097 177.584 0.071 0.000 1.169 484 A CA 0.835 52.883 52.037 0.019 0.000 0.635 484 A CB -0.542 18.532 19.000 0.123 0.000 0.810 484 A HN 0.075 nan 8.150 nan 0.000 0.445 485 V N -0.060 119.889 119.914 0.058 0.000 2.343 485 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 485 V C 2.632 178.735 176.094 0.015 0.000 1.051 485 V CA 2.292 64.630 62.300 0.064 0.000 1.036 485 V CB -0.737 31.115 31.823 0.049 0.000 0.654 485 V HN 0.667 nan 8.190 nan 0.000 0.451 486 R N -0.255 120.220 120.500 -0.042 0.000 2.075 486 R HA -0.083 4.257 4.340 -0.001 0.000 0.232 486 R C 2.204 178.359 176.300 -0.242 0.000 1.126 486 R CA 1.447 57.486 56.100 -0.103 0.000 0.963 486 R CB -0.214 30.027 30.300 -0.099 0.000 0.858 486 R HN 0.445 nan 8.270 nan 0.000 0.435 487 L N -0.708 120.344 121.223 -0.285 0.000 2.376 487 L HA -0.089 4.251 4.340 -0.001 0.000 0.219 487 L C 0.928 177.436 176.870 -0.603 0.000 1.133 487 L CA 1.006 55.562 54.840 -0.474 0.000 0.816 487 L CB -0.122 41.673 42.059 -0.440 0.000 0.933 487 L HN 0.310 nan 8.230 nan 0.000 0.449 488 H N -2.147 116.820 119.070 -0.173 0.000 2.507 488 H HA 0.134 4.690 4.556 -0.001 0.000 0.294 488 H C -0.624 174.763 175.328 0.098 0.000 1.064 488 H CA -0.336 55.700 56.048 -0.020 0.000 1.138 488 H CB 0.051 29.827 29.762 0.023 0.000 1.515 488 H HN 0.069 nan 8.280 nan 0.000 0.547 489 Y N -0.980 119.363 120.300 0.073 0.000 3.389 489 Y HA -0.272 4.277 4.550 -0.001 0.000 0.213 489 Y C 1.759 177.690 175.900 0.053 0.000 1.272 489 Y CA 0.288 58.417 58.100 0.049 0.000 1.444 489 Y CB -1.497 36.989 38.460 0.042 0.000 1.445 489 Y HN 0.539 nan 8.280 nan 0.000 0.583 490 G N -0.617 108.262 108.800 0.132 0.000 2.595 490 G HA2 0.002 3.962 3.960 -0.001 0.000 0.213 490 G HA3 0.002 3.962 3.960 -0.001 0.000 0.213 490 G C 1.382 176.331 174.900 0.082 0.000 1.141 490 G CA 0.572 45.735 45.100 0.104 0.000 0.806 490 G HN 0.429 nan 8.290 nan 0.000 0.530 491 L N 0.837 122.101 121.223 0.069 0.000 2.042 491 L HA -0.052 4.288 4.340 -0.001 0.000 0.210 491 L C 0.042 176.953 176.870 0.067 0.000 1.076 491 L CA 1.217 56.094 54.840 0.061 0.000 0.749 491 L CB -1.265 40.823 42.059 0.048 0.000 0.893 491 L HN 0.152 nan 8.230 nan 0.000 0.432 492 P HA -0.191 nan 4.420 nan 0.000 0.215 492 P C 1.959 179.287 177.300 0.047 0.000 1.157 492 P CA 1.295 64.430 63.100 0.059 0.000 0.874 492 P CB 0.042 31.782 31.700 0.066 0.000 0.790 493 V N -0.736 119.211 119.914 0.055 0.000 2.548 493 V HA -0.144 3.975 4.120 -0.001 0.000 0.249 493 V C 2.164 178.289 176.094 0.052 0.000 1.055 493 V CA 1.442 63.769 62.300 0.045 0.000 1.065 493 V CB -0.780 31.070 31.823 0.045 0.000 0.681 493 V HN -0.116 nan 8.190 nan 0.000 0.462 494 V N -0.125 119.825 119.914 0.060 0.000 2.261 494 V HA -0.217 3.902 4.120 -0.001 0.000 0.246 494 V C 2.490 178.633 176.094 0.080 0.000 1.047 494 V CA 2.306 64.645 62.300 0.065 0.000 1.015 494 V CB -0.487 31.374 31.823 0.063 0.000 0.642 494 V HN 0.444 nan 8.190 nan 0.000 0.446 495 V N 0.171 120.135 119.914 0.084 0.000 2.407 495 V HA -0.307 3.812 4.120 -0.001 0.000 0.248 495 V C 2.412 178.599 176.094 0.156 0.000 1.055 495 V CA 2.386 64.756 62.300 0.116 0.000 1.049 495 V CB -0.771 31.114 31.823 0.103 0.000 0.662 495 V HN 0.624 nan 8.190 nan 0.000 0.455 496 K N 0.285 120.728 120.400 0.072 0.000 2.103 496 K HA -0.152 4.168 4.320 -0.001 0.000 0.207 496 K C 1.946 178.616 176.600 0.116 0.000 1.048 496 K CA 1.580 57.878 56.287 0.019 0.000 0.930 496 K CB -0.274 32.210 32.500 -0.026 0.000 0.716 496 K HN 0.432 nan 8.250 nan 0.000 0.444 497 L N 1.017 122.302 121.223 0.103 0.000 2.549 497 L HA -0.106 4.234 4.340 -0.001 0.000 0.229 497 L C 1.765 178.694 176.870 0.098 0.000 1.158 497 L CA -0.115 54.779 54.840 0.090 0.000 0.842 497 L CB -0.194 41.905 42.059 0.067 0.000 0.952 497 L HN 0.192 nan 8.230 nan 0.000 0.452 498 L N -1.227 120.083 121.223 0.145 0.000 2.275 498 L HA -0.048 4.292 4.340 -0.001 0.000 0.215 498 L C 1.465 178.307 176.870 -0.047 0.000 1.119 498 L CA 1.164 56.036 54.840 0.052 0.000 0.790 498 L CB -0.676 41.398 42.059 0.026 0.000 0.919 498 L HN 0.247 nan 8.230 nan 0.000 0.443 499 H N -1.138 117.914 119.070 -0.031 0.000 2.517 499 H HA 0.290 4.845 4.556 -0.001 0.000 0.346 499 H C -1.979 173.307 175.328 -0.070 0.000 1.222 499 H CA -2.221 53.798 56.048 -0.048 0.000 1.314 499 H CB 0.434 30.181 29.762 -0.025 0.000 1.609 499 H HN -0.160 nan 8.280 nan 0.000 0.571 500 P HA 0.025 nan 4.420 nan 0.000 0.269 500 P C -1.966 175.342 177.300 0.013 0.000 1.209 500 P CA -1.067 62.016 63.100 -0.028 0.000 0.776 500 P CB 0.114 31.784 31.700 -0.050 0.000 0.876 501 P HA 0.155 nan 4.420 nan 0.000 0.236 501 P C -0.591 176.715 177.300 0.009 0.000 1.749 501 P CA -0.068 63.022 63.100 -0.017 0.000 0.994 501 P CB 0.128 31.845 31.700 0.028 0.000 1.599 502 S N 0.531 116.223 115.700 -0.014 0.000 2.549 502 S HA 0.186 4.656 4.470 -0.001 0.000 0.279 502 S C 0.239 174.787 174.600 -0.087 0.000 1.321 502 S CA -0.013 58.204 58.200 0.027 0.000 1.054 502 S CB 0.207 63.408 63.200 0.002 0.000 0.899 502 S HN 0.340 nan 8.310 nan 0.000 0.497 503 H N 0.164 119.154 119.070 -0.134 0.000 2.497 503 H HA 0.288 4.843 4.556 -0.001 0.000 0.348 503 H C 0.442 175.689 175.328 -0.134 0.000 1.335 503 H CA -0.769 55.175 56.048 -0.174 0.000 1.395 503 H CB 0.247 29.985 29.762 -0.040 0.000 1.658 503 H HN 0.772 nan 8.280 nan 0.000 0.613 504 W N 0.180 121.579 121.300 0.165 0.000 2.388 504 W HA -0.035 4.625 4.660 -0.001 0.000 0.294 504 W C -0.737 175.841 176.519 0.099 0.000 1.212 504 W CA 0.529 57.936 57.345 0.104 0.000 1.271 504 W CB -1.145 28.369 29.460 0.091 0.000 1.126 504 W HN 0.586 nan 8.180 nan 0.000 0.535 505 P HA -0.219 nan 4.420 nan 0.000 0.215 505 P C 1.712 179.111 177.300 0.166 0.000 1.157 505 P CA 1.320 64.547 63.100 0.211 0.000 0.868 505 P CB -0.313 31.479 31.700 0.153 0.000 0.788 506 L N -0.828 120.478 121.223 0.138 0.000 2.083 506 L HA -0.106 4.234 4.340 -0.001 0.000 0.209 506 L C 2.184 179.119 176.870 0.109 0.000 1.083 506 L CA 1.698 56.598 54.840 0.101 0.000 0.752 506 L CB -1.266 40.839 42.059 0.077 0.000 0.899 506 L HN -0.140 nan 8.230 nan 0.000 0.433 507 I N -0.417 120.230 120.570 0.127 0.000 2.252 507 I HA -0.295 3.875 4.170 -0.001 0.000 0.245 507 I C 2.592 178.819 176.117 0.182 0.000 1.102 507 I CA 1.513 62.892 61.300 0.132 0.000 1.385 507 I CB -0.426 37.636 38.000 0.103 0.000 1.064 507 I HN 0.326 nan 8.210 nan 0.000 0.414 508 K N 1.475 122.013 120.400 0.230 0.000 2.009 508 K HA -0.242 4.078 4.320 -0.001 0.000 0.210 508 K C 2.215 178.897 176.600 0.136 0.000 1.049 508 K CA 1.782 58.182 56.287 0.188 0.000 0.929 508 K CB -0.188 32.420 32.500 0.181 0.000 0.714 508 K HN 0.287 nan 8.250 nan 0.000 0.440 509 A N 0.629 123.523 122.820 0.124 0.000 1.883 509 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 509 A C 2.221 179.858 177.584 0.088 0.000 1.186 509 A CA 2.351 54.447 52.037 0.098 0.000 0.624 509 A CB -1.129 17.919 19.000 0.079 0.000 0.822 509 A HN 0.496 nan 8.150 nan 0.000 0.444 510 T N -0.459 114.148 114.554 0.088 0.000 2.867 510 T HA -0.073 4.277 4.350 -0.001 0.000 0.268 510 T C 1.843 176.594 174.700 0.084 0.000 1.057 510 T CA 1.383 63.531 62.100 0.080 0.000 1.136 510 T CB -0.309 68.606 68.868 0.078 0.000 0.874 510 T HN 0.169 nan 8.240 nan 0.000 0.466 511 V N 1.437 121.409 119.914 0.096 0.000 2.358 511 V HA -0.079 4.041 4.120 -0.001 0.000 0.246 511 V C 2.875 179.019 176.094 0.083 0.000 1.047 511 V CA 1.916 64.272 62.300 0.093 0.000 1.035 511 V CB -1.378 30.510 31.823 0.108 0.000 0.658 511 V HN 0.562 nan 8.190 nan 0.000 0.452 512 G N 0.176 109.028 108.800 0.087 0.000 2.476 512 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.218 512 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.218 512 G C 1.599 176.545 174.900 0.077 0.000 1.164 512 G CA 1.372 46.522 45.100 0.083 0.000 0.768 512 G HN 0.454 nan 8.290 nan 0.000 0.560 513 L N 0.679 121.948 121.223 0.076 0.000 2.046 513 L HA 0.100 4.439 4.340 -0.001 0.000 0.208 513 L C 2.655 179.562 176.870 0.062 0.000 1.077 513 L CA 1.343 56.224 54.840 0.067 0.000 0.747 513 L CB -0.415 41.679 42.059 0.060 0.000 0.896 513 L HN 0.282 nan 8.230 nan 0.000 0.432 514 I N -0.719 119.891 120.570 0.065 0.000 2.226 514 I HA -0.296 3.874 4.170 -0.001 0.000 0.245 514 I C 2.722 178.876 176.117 0.061 0.000 1.100 514 I CA 1.268 62.607 61.300 0.065 0.000 1.374 514 I CB -0.342 37.700 38.000 0.071 0.000 1.057 514 I HN 0.316 nan 8.210 nan 0.000 0.413 515 R N 1.296 121.831 120.500 0.058 0.000 2.113 515 R HA -0.238 4.102 4.340 -0.001 0.000 0.244 515 R C 1.986 178.308 176.300 0.037 0.000 1.142 515 R CA 2.452 58.580 56.100 0.046 0.000 0.953 515 R CB -0.327 30.001 30.300 0.046 0.000 0.860 515 R HN 0.482 nan 8.270 nan 0.000 0.438 516 N N -0.252 118.471 118.700 0.039 0.000 2.142 516 N HA -0.116 4.624 4.740 -0.001 0.000 0.186 516 N C 1.767 177.290 175.510 0.022 0.000 1.023 516 N CA 1.032 54.098 53.050 0.026 0.000 0.852 516 N CB -0.044 38.465 38.487 0.035 0.000 0.998 516 N HN 0.188 nan 8.380 nan 0.000 0.424 517 L N 0.609 121.852 121.223 0.033 0.000 2.275 517 L HA -0.051 4.289 4.340 -0.001 0.000 0.215 517 L C 2.308 179.197 176.870 0.033 0.000 1.119 517 L CA 0.404 55.261 54.840 0.027 0.000 0.790 517 L CB -0.328 41.754 42.059 0.037 0.000 0.919 517 L HN 0.208 nan 8.230 nan 0.000 0.443 518 A N -0.182 122.676 122.820 0.063 0.000 2.167 518 A HA 0.020 4.339 4.320 -0.001 0.000 0.214 518 A C 2.111 179.773 177.584 0.131 0.000 1.151 518 A CA 0.573 52.688 52.037 0.130 0.000 0.735 518 A CB -0.430 18.641 19.000 0.118 0.000 0.802 518 A HN 0.383 nan 8.150 nan 0.000 0.467 519 L N -0.907 120.342 121.223 0.043 0.000 2.456 519 L HA -0.055 4.285 4.340 -0.001 0.000 0.224 519 L C 1.166 178.013 176.870 -0.038 0.000 1.148 519 L CA 0.006 54.853 54.840 0.011 0.000 0.825 519 L CB -0.468 41.580 42.059 -0.018 0.000 0.937 519 L HN 0.519 nan 8.230 nan 0.000 0.450 520 C N 1.127 120.377 119.300 -0.083 0.000 2.255 520 C HA 0.349 4.809 4.460 -0.001 0.000 0.326 520 C C -0.851 173.922 174.990 -0.362 0.000 1.258 520 C CA -1.828 57.098 59.018 -0.153 0.000 1.676 520 C CB 0.612 28.289 27.740 -0.106 0.000 2.314 520 C HN 0.089 nan 8.230 nan 0.000 0.509 521 P HA -0.067 nan 4.420 nan 0.000 0.219 521 P C 1.316 178.309 177.300 -0.511 0.000 1.146 521 P CA 1.689 64.322 63.100 -0.778 0.000 0.808 521 P CB 0.078 31.592 31.700 -0.309 0.000 0.779 522 A N -0.931 121.727 122.820 -0.269 0.000 2.216 522 A HA -0.121 4.198 4.320 -0.001 0.000 0.214 522 A C 1.762 179.277 177.584 -0.115 0.000 1.160 522 A CA 1.308 53.255 52.037 -0.151 0.000 0.725 522 A CB -1.371 17.565 19.000 -0.107 0.000 0.784 522 A HN 0.259 nan 8.150 nan 0.000 0.472 523 N N -1.754 116.860 118.700 -0.144 0.000 2.325 523 N HA 0.062 4.802 4.740 -0.001 0.000 0.182 523 N C 1.192 176.739 175.510 0.060 0.000 1.088 523 N CA 0.021 53.047 53.050 -0.040 0.000 0.879 523 N CB -0.114 38.360 38.487 -0.022 0.000 0.983 523 N HN 0.687 nan 8.380 nan 0.000 0.471 524 H N 0.571 119.644 119.070 0.005 0.000 2.290 524 H HA -0.111 4.445 4.556 -0.001 0.000 0.298 524 H C 2.181 177.526 175.328 0.028 0.000 1.087 524 H CA 1.253 57.310 56.048 0.014 0.000 1.291 524 H CB 0.140 29.904 29.762 0.004 0.000 1.369 524 H HN 0.267 nan 8.280 nan 0.000 0.492 525 A N 1.217 124.133 122.820 0.160 0.000 1.855 525 A HA -0.084 4.235 4.320 -0.001 0.000 0.215 525 A C -0.182 177.453 177.584 0.085 0.000 1.191 525 A CA 1.237 53.341 52.037 0.111 0.000 0.613 525 A CB -1.222 17.830 19.000 0.087 0.000 0.829 525 A HN 0.342 nan 8.150 nan 0.000 0.442 526 P HA -0.091 nan 4.420 nan 0.000 0.219 526 P C 1.488 178.826 177.300 0.063 0.000 1.150 526 P CA 0.787 63.919 63.100 0.054 0.000 0.814 526 P CB -0.176 31.544 31.700 0.033 0.000 0.787 527 L N -0.749 120.520 121.223 0.075 0.000 2.141 527 L HA -0.080 4.260 4.340 -0.001 0.000 0.209 527 L C 3.028 179.945 176.870 0.079 0.000 1.094 527 L CA 1.228 56.116 54.840 0.080 0.000 0.763 527 L CB -0.528 41.587 42.059 0.093 0.000 0.908 527 L HN -0.086 nan 8.230 nan 0.000 0.437 528 R N 0.379 120.928 120.500 0.081 0.000 2.073 528 R HA -0.179 4.161 4.340 -0.001 0.000 0.229 528 R C 2.097 178.435 176.300 0.064 0.000 1.120 528 R CA 1.377 57.521 56.100 0.073 0.000 0.967 528 R CB -0.005 30.344 30.300 0.080 0.000 0.862 528 R HN 0.253 nan 8.270 nan 0.000 0.436 529 E N -0.154 120.083 120.200 0.061 0.000 2.209 529 E HA -0.189 4.160 4.350 -0.001 0.000 0.196 529 E C 1.764 178.392 176.600 0.047 0.000 0.993 529 E CA 1.119 57.549 56.400 0.051 0.000 0.819 529 E CB 0.204 29.933 29.700 0.049 0.000 0.745 529 E HN 0.296 nan 8.360 nan 0.000 0.477 530 Q N -1.172 118.660 119.800 0.054 0.000 2.451 530 Q HA 0.080 4.419 4.340 -0.001 0.000 0.206 530 Q C 0.942 176.980 176.000 0.064 0.000 0.947 530 Q CA 0.876 56.709 55.803 0.050 0.000 0.937 530 Q CB 1.107 29.878 28.738 0.056 0.000 1.025 530 Q HN 0.361 nan 8.270 nan 0.000 0.511 531 G N 0.406 109.252 108.800 0.076 0.000 2.165 531 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.226 531 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.226 531 G C 0.833 175.805 174.900 0.120 0.000 1.035 531 G CA 0.451 45.608 45.100 0.095 0.000 0.744 531 G HN 0.438 nan 8.290 nan 0.000 0.501 532 A N -0.682 122.199 122.820 0.102 0.000 1.897 532 A HA 0.273 4.593 4.320 -0.001 0.000 0.215 532 A C 2.669 180.299 177.584 0.076 0.000 1.181 532 A CA 2.362 54.458 52.037 0.099 0.000 0.620 532 A CB -0.294 18.759 19.000 0.089 0.000 0.821 532 A HN 1.138 nan 8.150 nan 0.000 0.443 533 I N 0.695 121.305 120.570 0.068 0.000 2.090 533 I HA -0.125 4.044 4.170 -0.001 0.000 0.236 533 I C 0.021 176.169 176.117 0.052 0.000 1.064 533 I CA 1.979 63.315 61.300 0.060 0.000 1.324 533 I CB -2.286 35.748 38.000 0.056 0.000 1.044 533 I HN 0.404 nan 8.210 nan 0.000 0.399 534 P HA -0.215 nan 4.420 nan 0.000 0.216 534 P C 1.648 178.956 177.300 0.014 0.000 1.150 534 P CA 1.616 64.735 63.100 0.032 0.000 0.837 534 P CB -0.218 31.505 31.700 0.038 0.000 0.786 535 R N 0.171 120.674 120.500 0.005 0.000 2.090 535 R HA 0.031 4.371 4.340 -0.001 0.000 0.228 535 R C 2.432 178.702 176.300 -0.049 0.000 1.110 535 R CA 1.098 57.148 56.100 -0.083 0.000 0.973 535 R CB -1.638 28.538 30.300 -0.206 0.000 0.869 535 R HN 0.147 nan 8.270 nan 0.000 0.440 536 L N -0.564 120.665 121.223 0.009 0.000 2.141 536 L HA -0.106 4.234 4.340 -0.001 0.000 0.209 536 L C 2.062 178.966 176.870 0.057 0.000 1.094 536 L CA 0.751 55.617 54.840 0.044 0.000 0.763 536 L CB -0.189 41.910 42.059 0.066 0.000 0.908 536 L HN 0.050 nan 8.230 nan 0.000 0.437 537 V N -0.749 119.191 119.914 0.043 0.000 2.379 537 V HA -0.251 3.869 4.120 -0.001 0.000 0.245 537 V C 2.339 178.444 176.094 0.019 0.000 1.044 537 V CA 1.425 63.745 62.300 0.032 0.000 1.036 537 V CB -0.323 31.508 31.823 0.013 0.000 0.664 537 V HN 0.469 nan 8.190 nan 0.000 0.453 538 Q N -0.436 119.369 119.800 0.008 0.000 2.124 538 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 538 Q C 2.261 178.285 176.000 0.041 0.000 0.977 538 Q CA 1.518 57.325 55.803 0.006 0.000 0.850 538 Q CB -0.186 28.538 28.738 -0.023 0.000 0.901 538 Q HN 0.547 nan 8.270 nan 0.000 0.429 539 L N 0.138 121.395 121.223 0.057 0.000 2.109 539 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 539 L C 2.329 179.292 176.870 0.155 0.000 1.086 539 L CA 0.550 55.475 54.840 0.142 0.000 0.760 539 L CB -0.329 41.820 42.059 0.151 0.000 0.910 539 L HN 0.303 nan 8.230 nan 0.000 0.437 540 L N -0.432 120.855 121.223 0.106 0.000 2.012 540 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 540 L C 2.530 179.460 176.870 0.099 0.000 1.073 540 L CA 1.362 56.259 54.840 0.095 0.000 0.748 540 L CB -0.073 42.039 42.059 0.088 0.000 0.891 540 L HN 0.033 nan 8.230 nan 0.000 0.431 541 V N -0.024 119.934 119.914 0.073 0.000 2.343 541 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 541 V C 2.609 178.748 176.094 0.075 0.000 1.051 541 V CA 1.849 64.187 62.300 0.064 0.000 1.036 541 V CB -0.602 31.229 31.823 0.014 0.000 0.654 541 V HN 0.461 nan 8.190 nan 0.000 0.451 542 R N 0.140 120.696 120.500 0.093 0.000 2.070 542 R HA -0.097 4.242 4.340 -0.001 0.000 0.233 542 R C 2.453 178.811 176.300 0.097 0.000 1.137 542 R CA 1.578 57.745 56.100 0.112 0.000 0.945 542 R CB -0.696 29.719 30.300 0.192 0.000 0.845 542 R HN 0.509 nan 8.270 nan 0.000 0.430 543 A N 0.642 123.512 122.820 0.085 0.000 1.972 543 A HA -0.221 4.099 4.320 -0.001 0.000 0.219 543 A C 1.960 179.562 177.584 0.030 0.000 1.169 543 A CA 1.668 53.680 52.037 -0.042 0.000 0.635 543 A CB -0.702 18.218 19.000 -0.133 0.000 0.810 543 A HN 0.369 nan 8.150 nan 0.000 0.446 544 H N 0.963 120.009 119.070 -0.039 0.000 2.267 544 H HA -0.170 4.386 4.556 -0.001 0.000 0.297 544 H C 2.181 177.487 175.328 -0.036 0.000 1.080 544 H CA 2.129 58.156 56.048 -0.035 0.000 1.278 544 H CB -0.450 29.299 29.762 -0.022 0.000 1.365 544 H HN 0.705 nan 8.280 nan 0.000 0.489 545 Q N -0.554 119.210 119.800 -0.060 0.000 2.472 545 Q HA -0.048 4.291 4.340 -0.001 0.000 0.208 545 Q C 0.421 176.390 176.000 -0.052 0.000 0.958 545 Q CA 1.167 56.882 55.803 -0.146 0.000 0.932 545 Q CB 0.201 28.847 28.738 -0.153 0.000 1.007 545 Q HN 0.285 nan 8.270 nan 0.000 0.508 546 D N 0.644 121.033 120.400 -0.017 0.000 2.325 546 D HA 0.068 4.707 4.640 -0.001 0.000 0.225 546 D C 0.560 176.836 176.300 -0.040 0.000 1.096 546 D CA 0.281 54.266 54.000 -0.024 0.000 0.844 546 D CB 0.588 41.373 40.800 -0.025 0.000 0.925 546 D HN 0.227 nan 8.370 nan 0.000 0.513 547 T N 0.016 114.560 114.554 -0.017 0.000 3.031 547 T HA -0.089 4.261 4.350 -0.001 0.000 0.236 547 T C 1.963 176.652 174.700 -0.019 0.000 1.005 547 T CA 0.384 62.472 62.100 -0.020 0.000 1.230 547 T CB 0.079 68.964 68.868 0.028 0.000 0.913 547 T HN 0.194 nan 8.240 nan 0.000 0.419 548 Q N 1.335 121.133 119.800 -0.003 0.000 2.167 548 Q HA 0.046 4.386 4.340 -0.001 0.000 0.202 548 Q C 1.364 177.352 176.000 -0.020 0.000 0.970 548 Q CA 0.899 56.696 55.803 -0.010 0.000 0.855 548 Q CB -0.434 28.301 28.738 -0.006 0.000 0.911 548 Q HN 0.418 nan 8.270 nan 0.000 0.438 561 V N 1.878 121.928 119.914 0.228 0.000 2.674 561 V HA 0.448 4.567 4.120 -0.001 0.000 0.279 561 V C -0.728 175.501 176.094 0.226 0.000 1.051 561 V CA -0.384 62.022 62.300 0.177 0.000 0.912 561 V CB 1.154 33.046 31.823 0.114 0.000 1.044 561 V HN 0.816 nan 8.190 nan 0.000 0.464 562 E N 4.231 124.555 120.200 0.206 0.000 2.637 562 E HA -0.230 4.120 4.350 -0.001 0.000 0.265 562 E C 1.155 177.849 176.600 0.156 0.000 1.073 562 E CA 0.858 57.371 56.400 0.190 0.000 0.778 562 E CB -1.486 28.378 29.700 0.273 0.000 1.362 562 E HN 2.079 nan 8.360 nan 0.000 0.413 563 G N -1.473 107.405 108.800 0.129 0.000 2.205 563 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.261 563 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.261 563 G C 0.369 175.439 174.900 0.284 0.000 0.980 563 G CA 0.280 45.421 45.100 0.069 0.000 0.632 563 G HN 0.426 nan 8.290 nan 0.000 0.533 564 V N 2.883 122.963 119.914 0.277 0.000 2.427 564 V HA 0.612 4.731 4.120 -0.001 0.000 0.286 564 V C 0.841 176.978 176.094 0.071 0.000 1.034 564 V CA -0.667 61.740 62.300 0.178 0.000 0.893 564 V CB 1.531 33.419 31.823 0.109 0.000 0.982 564 V HN 0.604 nan 8.190 nan 0.000 0.452 565 R N 4.922 125.399 120.500 -0.038 0.000 2.404 565 R HA 0.464 4.803 4.340 -0.001 0.000 0.291 565 R C 0.427 176.579 176.300 -0.247 0.000 1.025 565 R CA -0.802 55.155 56.100 -0.239 0.000 0.991 565 R CB 0.911 30.988 30.300 -0.373 0.000 1.053 565 R HN 0.472 nan 8.270 nan 0.000 0.479 566 M N 1.685 121.106 119.600 -0.297 0.000 2.374 566 M HA -0.077 4.403 4.480 -0.001 0.000 0.264 566 M C 1.059 177.234 176.300 -0.209 0.000 1.067 566 M CA 1.521 56.622 55.300 -0.332 0.000 1.103 566 M CB -0.827 31.592 32.600 -0.301 0.000 1.402 566 M HN 0.686 nan 8.290 nan 0.000 0.444 567 E N 0.401 120.504 120.200 -0.162 0.000 2.265 567 E HA -0.158 4.192 4.350 -0.001 0.000 0.196 567 E C 1.817 178.366 176.600 -0.085 0.000 0.996 567 E CA 0.934 57.267 56.400 -0.112 0.000 0.832 567 E CB -0.103 29.534 29.700 -0.104 0.000 0.756 567 E HN 0.567 nan 8.360 nan 0.000 0.491 568 E N -0.066 120.082 120.200 -0.087 0.000 2.107 568 E HA -0.116 4.234 4.350 -0.001 0.000 0.191 568 E C 1.799 178.383 176.600 -0.026 0.000 0.982 568 E CA 0.641 57.017 56.400 -0.041 0.000 0.809 568 E CB 0.016 29.704 29.700 -0.019 0.000 0.756 568 E HN 0.247 nan 8.360 nan 0.000 0.459 569 I N 0.231 120.761 120.570 -0.067 0.000 2.353 569 I HA -0.210 3.960 4.170 -0.001 0.000 0.248 569 I C 2.188 178.305 176.117 0.000 0.000 1.119 569 I CA 0.563 61.850 61.300 -0.022 0.000 1.417 569 I CB 0.002 37.943 38.000 -0.098 0.000 1.078 569 I HN -0.047 nan 8.210 nan 0.000 0.421 570 V N 0.481 120.375 119.914 -0.035 0.000 2.255 570 V HA -0.294 3.825 4.120 -0.001 0.000 0.247 570 V C 2.596 178.689 176.094 -0.002 0.000 1.051 570 V CA 2.021 64.309 62.300 -0.020 0.000 1.018 570 V CB -0.632 31.150 31.823 -0.068 0.000 0.641 570 V HN 0.467 nan 8.190 nan 0.000 0.445 571 E N 0.567 120.759 120.200 -0.013 0.000 2.058 571 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 571 E C 2.238 178.853 176.600 0.024 0.000 0.997 571 E CA 1.908 58.308 56.400 0.001 0.000 0.801 571 E CB -0.542 29.157 29.700 -0.002 0.000 0.746 571 E HN 0.567 nan 8.360 nan 0.000 0.450 572 G N 0.473 109.294 108.800 0.035 0.000 2.414 572 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.215 572 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.215 572 G C 2.055 176.995 174.900 0.065 0.000 1.188 572 G CA 0.961 46.093 45.100 0.054 0.000 0.783 572 G HN 0.379 nan 8.290 nan 0.000 0.537 573 C N 0.747 120.093 119.300 0.076 0.000 2.393 573 C HA -0.073 4.387 4.460 -0.001 0.000 0.276 573 C C 3.278 178.324 174.990 0.094 0.000 1.215 573 C CA 1.715 60.788 59.018 0.092 0.000 1.743 573 C CB -1.118 26.685 27.740 0.104 0.000 2.044 573 C HN 0.453 nan 8.230 nan 0.000 0.464 574 T N 0.240 114.848 114.554 0.091 0.000 2.833 574 T HA -0.051 4.299 4.350 -0.001 0.000 0.269 574 T C 1.902 176.610 174.700 0.013 0.000 1.054 574 T CA 1.614 63.758 62.100 0.073 0.000 1.135 574 T CB -0.539 68.362 68.868 0.055 0.000 0.869 574 T HN 0.726 nan 8.240 nan 0.000 0.466 575 G N 1.160 109.983 108.800 0.038 0.000 2.402 575 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.216 575 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.216 575 G C 1.839 176.774 174.900 0.057 0.000 1.162 575 G CA 0.743 45.879 45.100 0.060 0.000 0.777 575 G HN 0.569 nan 8.290 nan 0.000 0.539 576 A N 0.387 123.239 122.820 0.053 0.000 1.972 576 A HA 0.117 4.436 4.320 -0.001 0.000 0.219 576 A C 2.396 180.007 177.584 0.046 0.000 1.169 576 A CA 1.177 53.244 52.037 0.050 0.000 0.635 576 A CB -0.308 18.729 19.000 0.061 0.000 0.810 576 A HN 0.369 nan 8.150 nan 0.000 0.446 577 L N -2.050 119.205 121.223 0.054 0.000 2.179 577 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 577 L C 2.467 179.345 176.870 0.014 0.000 1.096 577 L CA 1.305 56.171 54.840 0.044 0.000 0.779 577 L CB -0.711 41.404 42.059 0.093 0.000 0.922 577 L HN 0.639 nan 8.230 nan 0.000 0.443 578 H N 0.543 119.527 119.070 -0.142 0.000 2.289 578 H HA -0.245 4.311 4.556 -0.001 0.000 0.294 578 H C 2.350 177.601 175.328 -0.128 0.000 1.095 578 H CA 2.126 58.062 56.048 -0.187 0.000 1.256 578 H CB 0.157 29.798 29.762 -0.200 0.000 1.359 578 H HN 0.212 nan 8.280 nan 0.000 0.487 579 I N 0.327 120.873 120.570 -0.040 0.000 2.333 579 I HA -0.229 3.941 4.170 -0.001 0.000 0.246 579 I C 2.419 178.496 176.117 -0.065 0.000 1.106 579 I CA 0.537 61.778 61.300 -0.097 0.000 1.411 579 I CB -0.029 37.925 38.000 -0.078 0.000 1.082 579 I HN 0.284 nan 8.210 nan 0.000 0.420 580 L N 0.489 121.678 121.223 -0.057 0.000 2.187 580 L HA -0.192 4.147 4.340 -0.001 0.000 0.213 580 L C 2.461 179.215 176.870 -0.193 0.000 1.100 580 L CA 1.085 55.843 54.840 -0.135 0.000 0.765 580 L CB -0.540 41.494 42.059 -0.042 0.000 0.904 580 L HN 0.254 nan 8.230 nan 0.000 0.437 581 A N -0.432 122.331 122.820 -0.096 0.000 2.235 581 A HA -0.060 4.260 4.320 -0.001 0.000 0.208 581 A C 2.149 179.686 177.584 -0.079 0.000 1.172 581 A CA 0.357 52.352 52.037 -0.071 0.000 0.786 581 A CB -0.390 18.588 19.000 -0.035 0.000 0.804 581 A HN 0.325 nan 8.150 nan 0.000 0.479 582 R N 0.075 120.508 120.500 -0.113 0.000 2.152 582 R HA -0.080 4.260 4.340 -0.001 0.000 0.232 582 R C 0.206 176.451 176.300 -0.091 0.000 1.117 582 R CA 1.005 57.062 56.100 -0.070 0.000 0.981 582 R CB -0.231 30.058 30.300 -0.019 0.000 0.870 582 R HN 0.640 nan 8.270 nan 0.000 0.451 583 D N -0.620 119.646 120.400 -0.223 0.000 2.255 583 D HA 0.020 4.659 4.640 -0.001 0.000 0.249 583 D C 0.973 177.228 176.300 -0.075 0.000 1.078 583 D CA -0.223 53.683 54.000 -0.156 0.000 0.896 583 D CB 1.754 42.388 40.800 -0.276 0.000 1.194 583 D HN -0.239 nan 8.370 nan 0.000 0.429 584 V N 4.168 124.051 119.914 -0.051 0.000 2.307 584 V HA -0.213 3.907 4.120 -0.001 0.000 0.245 584 V C 1.517 177.681 176.094 0.117 0.000 1.045 584 V CA 1.793 64.099 62.300 0.009 0.000 1.024 584 V CB -0.740 31.081 31.823 -0.004 0.000 0.651 584 V HN 0.685 nan 8.190 nan 0.000 0.449 585 H N 0.506 119.576 119.070 0.000 0.000 2.456 585 H HA -0.033 4.523 4.556 -0.001 0.000 0.296 585 H C 2.212 177.538 175.328 -0.002 0.000 1.079 585 H CA 1.470 57.521 56.048 0.005 0.000 1.322 585 H CB -0.424 29.347 29.762 0.015 0.000 1.388 585 H HN 0.450 nan 8.280 nan 0.000 0.538 586 N N 0.443 119.201 118.700 0.097 0.000 2.250 586 N HA -0.048 4.692 4.740 -0.001 0.000 0.181 586 N C 1.891 177.422 175.510 0.035 0.000 1.017 586 N CA 0.512 53.584 53.050 0.036 0.000 0.866 586 N CB -0.021 38.441 38.487 -0.041 0.000 0.985 586 N HN 0.338 nan 8.380 nan 0.000 0.429 587 R N 0.315 120.835 120.500 0.033 0.000 2.115 587 R HA 0.107 4.446 4.340 -0.001 0.000 0.230 587 R C 2.071 178.399 176.300 0.047 0.000 1.111 587 R CA 0.595 56.717 56.100 0.037 0.000 0.976 587 R CB -0.181 30.136 30.300 0.029 0.000 0.870 587 R HN 0.222 nan 8.270 nan 0.000 0.445 588 I N 0.037 120.639 120.570 0.052 0.000 2.226 588 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 588 I C 2.167 178.302 176.117 0.030 0.000 1.100 588 I CA 1.157 62.480 61.300 0.038 0.000 1.374 588 I CB -0.196 37.822 38.000 0.030 0.000 1.057 588 I HN -0.049 nan 8.210 nan 0.000 0.413 589 V N 0.837 120.771 119.914 0.033 0.000 2.358 589 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 589 V C 2.293 178.410 176.094 0.037 0.000 1.047 589 V CA 1.793 64.110 62.300 0.029 0.000 1.035 589 V CB -0.367 31.477 31.823 0.034 0.000 0.658 589 V HN 0.325 nan 8.190 nan 0.000 0.452 590 I N 0.195 120.797 120.570 0.053 0.000 2.226 590 I HA -0.267 3.903 4.170 -0.001 0.000 0.245 590 I C 3.065 179.225 176.117 0.071 0.000 1.100 590 I CA 1.878 63.225 61.300 0.079 0.000 1.374 590 I CB -0.515 37.552 38.000 0.111 0.000 1.057 590 I HN 0.327 nan 8.210 nan 0.000 0.413 591 R N 0.886 121.424 120.500 0.062 0.000 2.075 591 R HA -0.038 4.302 4.340 -0.001 0.000 0.232 591 R C 2.164 178.477 176.300 0.021 0.000 1.126 591 R CA 1.486 57.615 56.100 0.049 0.000 0.963 591 R CB -2.164 28.162 30.300 0.044 0.000 0.858 591 R HN 0.531 nan 8.270 nan 0.000 0.435 592 G N -0.301 108.510 108.800 0.018 0.000 3.061 592 G HA2 0.268 4.228 3.960 -0.001 0.000 0.208 592 G HA3 0.268 4.228 3.960 -0.001 0.000 0.208 592 G C 0.908 175.808 174.900 -0.001 0.000 1.175 592 G CA 0.107 45.211 45.100 0.006 0.000 0.812 592 G HN 0.433 nan 8.290 nan 0.000 0.523 593 L N -0.075 121.145 121.223 -0.005 0.000 2.872 593 L HA 0.278 4.617 4.340 -0.001 0.000 0.245 593 L C 0.832 177.676 176.870 -0.043 0.000 1.211 593 L CA -0.528 54.301 54.840 -0.018 0.000 1.013 593 L CB -0.045 42.007 42.059 -0.012 0.000 1.326 593 L HN 0.085 nan 8.230 nan 0.000 0.525 594 N N 0.265 118.941 118.700 -0.040 0.000 2.714 594 N HA -0.242 4.498 4.740 -0.001 0.000 0.252 594 N C 0.956 176.400 175.510 -0.111 0.000 1.014 594 N CA 1.114 54.131 53.050 -0.056 0.000 0.735 594 N CB -0.845 37.614 38.487 -0.046 0.000 0.924 594 N HN 0.295 nan 8.380 nan 0.000 0.540 595 T N -1.202 113.263 114.554 -0.148 0.000 3.051 595 T HA 0.249 4.598 4.350 -0.001 0.000 0.255 595 T C 1.973 176.399 174.700 -0.456 0.000 1.085 595 T CA 0.721 62.607 62.100 -0.358 0.000 1.109 595 T CB 0.077 68.731 68.868 -0.356 0.000 0.921 595 T HN 0.406 nan 8.240 nan 0.000 0.488 596 I N 1.882 122.359 120.570 -0.154 0.000 2.286 596 I HA -0.048 4.121 4.170 -0.001 0.000 0.248 596 I C -0.784 175.315 176.117 -0.030 0.000 1.115 596 I CA 1.021 62.315 61.300 -0.008 0.000 1.392 596 I CB -1.102 36.931 38.000 0.055 0.000 1.065 596 I HN 0.221 nan 8.210 nan 0.000 0.418 597 P HA -0.192 nan 4.420 nan 0.000 0.218 597 P C 1.907 179.181 177.300 -0.043 0.000 1.148 597 P CA 1.175 64.253 63.100 -0.037 0.000 0.822 597 P CB 0.031 31.706 31.700 -0.042 0.000 0.784 598 L N -1.431 119.710 121.223 -0.138 0.000 2.027 598 L HA -0.085 4.255 4.340 -0.001 0.000 0.206 598 L C 2.204 179.045 176.870 -0.049 0.000 1.074 598 L CA 1.987 56.752 54.840 -0.124 0.000 0.745 598 L CB -1.342 40.547 42.059 -0.283 0.000 0.898 598 L HN -0.004 nan 8.230 nan 0.000 0.433 599 F N -1.051 118.897 119.950 -0.003 0.000 2.234 599 F HA -0.195 4.332 4.527 -0.001 0.000 0.299 599 F C 2.478 178.258 175.800 -0.032 0.000 1.087 599 F CA 0.515 58.495 58.000 -0.034 0.000 1.340 599 F CB -0.268 38.705 39.000 -0.045 0.000 1.031 599 F HN -0.110 nan 8.300 nan 0.000 0.500 600 V N -0.484 119.524 119.914 0.157 0.000 2.358 600 V HA -0.290 3.830 4.120 -0.001 0.000 0.246 600 V C 2.177 178.310 176.094 0.066 0.000 1.047 600 V CA 1.680 64.034 62.300 0.089 0.000 1.035 600 V CB -0.534 31.327 31.823 0.064 0.000 0.658 600 V HN 0.221 nan 8.190 nan 0.000 0.452 601 Q N -0.633 119.209 119.800 0.070 0.000 2.226 601 Q HA -0.122 4.218 4.340 -0.001 0.000 0.204 601 Q C 1.814 177.842 176.000 0.047 0.000 0.975 601 Q CA 1.339 57.191 55.803 0.080 0.000 0.866 601 Q CB -0.291 28.537 28.738 0.150 0.000 0.915 601 Q HN 0.455 nan 8.270 nan 0.000 0.440 602 L N -0.621 120.610 121.223 0.013 0.000 2.395 602 L HA -0.005 4.335 4.340 -0.001 0.000 0.218 602 L C 1.484 178.342 176.870 -0.019 0.000 1.130 602 L CA 0.948 55.756 54.840 -0.052 0.000 0.826 602 L CB -0.275 41.755 42.059 -0.049 0.000 0.941 602 L HN 0.265 nan 8.230 nan 0.000 0.451 603 L N -1.685 119.544 121.223 0.010 0.000 2.275 603 L HA -0.206 4.133 4.340 -0.001 0.000 0.215 603 L C 2.482 179.356 176.870 0.007 0.000 1.119 603 L CA 1.365 56.209 54.840 0.008 0.000 0.790 603 L CB -0.951 41.119 42.059 0.018 0.000 0.919 603 L HN 0.471 nan 8.230 nan 0.000 0.443 604 Y N -0.319 119.987 120.300 0.010 0.000 2.470 604 Y HA 0.262 4.812 4.550 -0.001 0.000 0.284 604 Y C 1.435 177.338 175.900 0.004 0.000 1.188 604 Y CA 0.033 58.140 58.100 0.012 0.000 1.269 604 Y CB -0.237 38.235 38.460 0.021 0.000 1.094 604 Y HN 0.158 nan 8.280 nan 0.000 0.518 605 S N 1.681 117.374 115.700 -0.010 0.000 2.565 605 S HA 0.273 4.742 4.470 -0.001 0.000 0.276 605 S C -0.831 173.759 174.600 -0.017 0.000 1.326 605 S CA -0.893 57.294 58.200 -0.022 0.000 1.045 605 S CB 1.289 64.458 63.200 -0.053 0.000 0.918 605 S HN 0.357 nan 8.310 nan 0.000 0.505 606 P HA 0.046 nan 4.420 nan 0.000 0.220 606 P C 0.109 177.398 177.300 -0.018 0.000 1.152 606 P CA 0.584 63.676 63.100 -0.014 0.000 0.812 606 P CB -0.156 31.535 31.700 -0.015 0.000 0.792 607 I N 0.862 121.417 120.570 -0.025 0.000 2.598 607 I HA 0.067 4.237 4.170 -0.001 0.000 0.284 607 I C 2.191 178.297 176.117 -0.019 0.000 1.140 607 I CA 0.524 61.809 61.300 -0.025 0.000 1.420 607 I CB 0.119 38.099 38.000 -0.034 0.000 1.387 607 I HN -0.047 nan 8.210 nan 0.000 0.553 608 E N 4.816 125.009 120.200 -0.012 0.000 2.106 608 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 608 E C 1.578 178.177 176.600 -0.001 0.000 0.984 608 E CA 1.440 57.836 56.400 -0.006 0.000 0.806 608 E CB -0.606 29.092 29.700 -0.004 0.000 0.750 608 E HN 0.758 nan 8.360 nan 0.000 0.458 609 N N 0.189 118.888 118.700 -0.001 0.000 2.166 609 N HA -0.039 4.700 4.740 -0.001 0.000 0.186 609 N C 1.876 177.384 175.510 -0.003 0.000 1.019 609 N CA 1.358 54.411 53.050 0.006 0.000 0.856 609 N CB -0.192 38.298 38.487 0.005 0.000 0.993 609 N HN 0.507 nan 8.380 nan 0.000 0.426 610 I N 1.191 121.750 120.570 -0.019 0.000 2.394 610 I HA -0.232 3.938 4.170 -0.001 0.000 0.251 610 I C 2.130 178.224 176.117 -0.037 0.000 1.136 610 I CA 0.892 62.172 61.300 -0.034 0.000 1.425 610 I CB -0.114 37.854 38.000 -0.053 0.000 1.079 610 I HN 0.140 nan 8.210 nan 0.000 0.425 611 Q N 0.392 120.177 119.800 -0.024 0.000 2.079 611 Q HA -0.201 4.139 4.340 -0.001 0.000 0.200 611 Q C 2.743 178.733 176.000 -0.016 0.000 0.974 611 Q CA 1.917 57.709 55.803 -0.019 0.000 0.840 611 Q CB -0.347 28.389 28.738 -0.005 0.000 0.898 611 Q HN 0.556 nan 8.270 nan 0.000 0.430 612 R N 0.580 121.085 120.500 0.009 0.000 2.082 612 R HA -0.089 4.251 4.340 -0.001 0.000 0.234 612 R C 2.195 178.486 176.300 -0.016 0.000 1.136 612 R CA 1.850 57.985 56.100 0.059 0.000 0.935 612 R CB -1.599 28.755 30.300 0.090 0.000 0.842 612 R HN 0.187 nan 8.270 nan 0.000 0.430 613 V N 0.198 120.079 119.914 -0.054 0.000 2.667 613 V HA 0.022 4.142 4.120 -0.001 0.000 0.252 613 V C 2.785 178.686 176.094 -0.323 0.000 1.065 613 V CA 1.415 63.624 62.300 -0.151 0.000 1.083 613 V CB -0.318 31.492 31.823 -0.022 0.000 0.692 613 V HN 0.753 nan 8.190 nan 0.000 0.468 614 A N -0.211 122.475 122.820 -0.224 0.000 1.898 614 A HA -0.044 4.275 4.320 -0.001 0.000 0.216 614 A C 2.350 179.739 177.584 -0.326 0.000 1.181 614 A CA 1.839 53.722 52.037 -0.256 0.000 0.620 614 A CB -0.658 18.290 19.000 -0.086 0.000 0.819 614 A HN 0.605 nan 8.150 nan 0.000 0.442 615 A N -0.611 122.064 122.820 -0.241 0.000 2.014 615 A HA 0.239 4.559 4.320 -0.001 0.000 0.218 615 A C 2.303 179.629 177.584 -0.429 0.000 1.163 615 A CA 1.583 53.494 52.037 -0.210 0.000 0.652 615 A CB -1.115 17.858 19.000 -0.045 0.000 0.808 615 A HN 0.645 nan 8.150 nan 0.000 0.449 616 G N -0.785 107.537 108.800 -0.796 0.000 2.402 616 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.216 616 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.216 616 G C 1.575 175.720 174.900 -1.257 0.000 1.162 616 G CA 1.148 45.296 45.100 -1.586 0.000 0.777 616 G HN 0.453 nan 8.290 nan 0.000 0.539 617 V N 0.497 119.797 119.914 -1.023 0.000 2.667 617 V HA 0.107 4.227 4.120 -0.001 0.000 0.252 617 V C 2.684 178.477 176.094 -0.501 0.000 1.065 617 V CA 1.049 62.928 62.300 -0.701 0.000 1.083 617 V CB -0.136 31.188 31.823 -0.831 0.000 0.692 617 V HN 0.386 nan 8.190 nan 0.000 0.468 618 L N -1.151 119.805 121.223 -0.445 0.000 2.217 618 L HA -0.135 4.205 4.340 -0.001 0.000 0.211 618 L C 2.623 179.410 176.870 -0.138 0.000 1.107 618 L CA 1.353 56.067 54.840 -0.209 0.000 0.783 618 L CB -0.595 41.389 42.059 -0.125 0.000 0.919 618 L HN 0.458 nan 8.230 nan 0.000 0.442 619 C N 0.259 119.444 119.300 -0.192 0.000 2.446 619 C HA -0.100 4.360 4.460 -0.001 0.000 0.277 619 C C 2.734 177.693 174.990 -0.052 0.000 1.275 619 C CA 0.718 59.682 59.018 -0.089 0.000 1.727 619 C CB -0.445 27.236 27.740 -0.097 0.000 2.010 619 C HN 0.466 nan 8.230 nan 0.000 0.486 620 E N 0.105 120.247 120.200 -0.097 0.000 2.158 620 E HA -0.090 4.260 4.350 -0.001 0.000 0.191 620 E C 1.931 178.516 176.600 -0.024 0.000 0.982 620 E CA 0.702 57.081 56.400 -0.035 0.000 0.823 620 E CB -0.382 29.304 29.700 -0.023 0.000 0.766 620 E HN 0.454 nan 8.360 nan 0.000 0.468 621 L N 0.889 122.086 121.223 -0.043 0.000 2.201 621 L HA -0.045 4.294 4.340 -0.001 0.000 0.212 621 L C 2.164 179.040 176.870 0.010 0.000 1.105 621 L CA 1.207 56.043 54.840 -0.006 0.000 0.775 621 L CB -0.850 41.215 42.059 0.009 0.000 0.913 621 L HN -0.001 nan 8.230 nan 0.000 0.440 622 A N -1.380 121.443 122.820 0.006 0.000 2.206 622 A HA -0.017 4.302 4.320 -0.001 0.000 0.211 622 A C 2.268 179.868 177.584 0.026 0.000 1.158 622 A CA 1.127 53.176 52.037 0.020 0.000 0.761 622 A CB -0.629 18.387 19.000 0.027 0.000 0.801 622 A HN 0.484 nan 8.150 nan 0.000 0.473 623 Q N -0.665 119.150 119.800 0.025 0.000 2.291 623 Q HA 0.105 4.445 4.340 -0.001 0.000 0.205 623 Q C 0.884 176.898 176.000 0.023 0.000 0.970 623 Q CA 1.555 57.376 55.803 0.028 0.000 0.876 623 Q CB -1.482 27.273 28.738 0.028 0.000 0.935 623 Q HN 0.905 nan 8.270 nan 0.000 0.455 624 D N -1.045 119.367 120.400 0.021 0.000 2.193 624 D HA 0.563 5.202 4.640 -0.001 0.000 0.249 624 D C 1.174 177.483 176.300 0.016 0.000 1.034 624 D CA 0.212 54.224 54.000 0.019 0.000 0.902 624 D CB 0.656 41.469 40.800 0.023 0.000 1.182 624 D HN 0.531 nan 8.370 nan 0.000 0.436 625 K N -0.512 119.895 120.400 0.012 0.000 2.103 625 K HA 0.223 4.542 4.320 -0.001 0.000 0.204 625 K C 2.377 178.982 176.600 0.009 0.000 1.052 625 K CA 1.864 58.155 56.287 0.007 0.000 0.945 625 K CB -1.188 31.313 32.500 0.002 0.000 0.722 625 K HN 0.826 nan 8.250 nan 0.000 0.443 626 E N 0.499 120.706 120.200 0.011 0.000 2.106 626 E HA 0.201 4.551 4.350 -0.001 0.000 0.192 626 E C 2.356 178.965 176.600 0.015 0.000 0.984 626 E CA 1.441 57.848 56.400 0.012 0.000 0.806 626 E CB -0.788 28.919 29.700 0.012 0.000 0.750 626 E HN 0.830 nan 8.360 nan 0.000 0.458 627 A N 0.265 123.097 122.820 0.020 0.000 2.119 627 A HA 0.464 4.784 4.320 -0.001 0.000 0.217 627 A C 2.635 180.234 177.584 0.026 0.000 1.153 627 A CA 1.549 53.602 52.037 0.027 0.000 0.692 627 A CB -0.294 18.726 19.000 0.032 0.000 0.799 627 A HN 0.821 nan 8.150 nan 0.000 0.458 628 A N 0.480 123.312 122.820 0.020 0.000 1.930 628 A HA -0.023 4.297 4.320 -0.001 0.000 0.215 628 A C 1.753 179.347 177.584 0.017 0.000 1.176 628 A CA 1.525 53.573 52.037 0.019 0.000 0.632 628 A CB -0.243 18.765 19.000 0.014 0.000 0.819 628 A HN 0.556 nan 8.150 nan 0.000 0.445 629 E N 0.042 120.250 120.200 0.014 0.000 2.400 629 E HA 0.356 4.706 4.350 -0.001 0.000 0.195 629 E C 1.717 178.326 176.600 0.014 0.000 1.012 629 E CA 0.601 57.008 56.400 0.011 0.000 0.875 629 E CB -0.277 29.427 29.700 0.006 0.000 0.859 629 E HN 0.452 nan 8.360 nan 0.000 0.498 630 A N 1.034 123.864 122.820 0.017 0.000 2.015 630 A HA -0.065 4.255 4.320 -0.001 0.000 0.219 630 A C 2.154 179.752 177.584 0.024 0.000 1.163 630 A CA 0.832 52.880 52.037 0.018 0.000 0.646 630 A CB -0.499 18.513 19.000 0.020 0.000 0.806 630 A HN 0.249 nan 8.150 nan 0.000 0.448 631 I N -0.513 120.074 120.570 0.029 0.000 2.286 631 I HA -0.162 4.008 4.170 -0.001 0.000 0.245 631 I C 3.052 179.185 176.117 0.027 0.000 1.104 631 I CA 1.470 62.791 61.300 0.034 0.000 1.397 631 I CB -0.213 37.809 38.000 0.037 0.000 1.072 631 I HN 0.506 nan 8.210 nan 0.000 0.417 632 E N 0.781 120.994 120.200 0.022 0.000 2.110 632 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 632 E C 2.185 178.794 176.600 0.015 0.000 0.988 632 E CA 1.309 57.720 56.400 0.018 0.000 0.804 632 E CB -0.914 28.794 29.700 0.013 0.000 0.745 632 E HN 0.634 nan 8.360 nan 0.000 0.458 633 A N 0.332 123.160 122.820 0.014 0.000 2.015 633 A HA -0.024 4.296 4.320 -0.001 0.000 0.219 633 A C 2.076 179.666 177.584 0.011 0.000 1.163 633 A CA 1.728 53.771 52.037 0.011 0.000 0.646 633 A CB -0.096 18.909 19.000 0.009 0.000 0.806 633 A HN 0.420 nan 8.150 nan 0.000 0.448 634 E N -1.115 119.095 120.200 0.015 0.000 2.502 634 E HA 0.279 4.629 4.350 -0.001 0.000 0.194 634 E C 0.971 177.581 176.600 0.017 0.000 1.062 634 E CA 0.675 57.084 56.400 0.016 0.000 0.867 634 E CB -0.227 29.486 29.700 0.021 0.000 0.888 634 E HN 0.693 nan 8.360 nan 0.000 0.510 635 G N 0.005 108.815 108.800 0.017 0.000 2.256 635 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.272 635 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.272 635 G C 0.844 175.756 174.900 0.021 0.000 1.076 635 G CA 0.340 45.450 45.100 0.017 0.000 0.882 635 G HN 0.401 nan 8.290 nan 0.000 0.497 636 A N -0.905 121.930 122.820 0.025 0.000 2.067 636 A HA 0.251 4.570 4.320 -0.001 0.000 0.217 636 A C 2.409 180.009 177.584 0.027 0.000 1.156 636 A CA 2.374 54.428 52.037 0.029 0.000 0.683 636 A CB -0.377 18.643 19.000 0.033 0.000 0.808 636 A HN 0.776 nan 8.150 nan 0.000 0.455 637 T N 0.427 114.995 114.554 0.024 0.000 2.788 637 T HA -0.051 4.299 4.350 -0.001 0.000 0.268 637 T C 2.190 176.903 174.700 0.022 0.000 1.044 637 T CA 1.478 63.593 62.100 0.024 0.000 1.139 637 T CB -0.338 68.543 68.868 0.021 0.000 0.867 637 T HN 0.587 nan 8.240 nan 0.000 0.454 638 A N 2.381 125.213 122.820 0.020 0.000 1.832 638 A HA 0.001 4.320 4.320 -0.001 0.000 0.214 638 A C 0.458 178.054 177.584 0.020 0.000 1.200 638 A CA 1.109 53.157 52.037 0.018 0.000 0.610 638 A CB -1.547 17.462 19.000 0.016 0.000 0.842 638 A HN 0.419 nan 8.150 nan 0.000 0.444 639 P HA -0.104 nan 4.420 nan 0.000 0.221 639 P C 1.648 178.962 177.300 0.024 0.000 1.150 639 P CA 1.213 64.326 63.100 0.022 0.000 0.800 639 P CB -0.251 31.462 31.700 0.022 0.000 0.787 640 L N -2.820 118.419 121.223 0.026 0.000 2.418 640 L HA 0.128 4.468 4.340 -0.001 0.000 0.218 640 L C 2.263 179.153 176.870 0.033 0.000 1.125 640 L CA 1.800 56.658 54.840 0.029 0.000 0.835 640 L CB -1.736 40.342 42.059 0.031 0.000 0.953 640 L HN -0.112 nan 8.230 nan 0.000 0.454 641 T N -0.286 114.286 114.554 0.031 0.000 2.821 641 T HA -0.157 4.193 4.350 -0.001 0.000 0.267 641 T C 1.734 176.457 174.700 0.038 0.000 1.046 641 T CA 1.765 63.883 62.100 0.030 0.000 1.139 641 T CB -0.380 68.501 68.868 0.022 0.000 0.871 641 T HN 0.495 nan 8.240 nan 0.000 0.454 642 E N 0.571 120.794 120.200 0.037 0.000 2.150 642 E HA 0.051 4.401 4.350 -0.001 0.000 0.193 642 E C 2.712 179.342 176.600 0.051 0.000 0.985 642 E CA 1.045 57.472 56.400 0.045 0.000 0.814 642 E CB -0.455 29.265 29.700 0.033 0.000 0.752 642 E HN 0.582 nan 8.360 nan 0.000 0.466 643 L N 0.982 122.229 121.223 0.040 0.000 2.201 643 L HA 0.066 4.405 4.340 -0.001 0.000 0.212 643 L C 2.853 179.750 176.870 0.044 0.000 1.105 643 L CA 1.903 56.764 54.840 0.035 0.000 0.775 643 L CB -2.082 39.995 42.059 0.030 0.000 0.913 643 L HN 0.304 nan 8.230 nan 0.000 0.440 644 L N -1.775 119.482 121.223 0.058 0.000 2.265 644 L HA 0.023 4.362 4.340 -0.001 0.000 0.215 644 L C 1.906 178.852 176.870 0.127 0.000 1.117 644 L CA 2.136 57.017 54.840 0.067 0.000 0.782 644 L CB -1.358 40.734 42.059 0.055 0.000 0.914 644 L HN 0.858 nan 8.230 nan 0.000 0.441 645 H N -0.104 118.962 119.070 -0.007 0.000 2.340 645 H HA 0.682 5.237 4.556 -0.001 0.000 0.233 645 H C -0.939 174.385 175.328 -0.008 0.000 1.435 645 H CA -0.287 55.755 56.048 -0.009 0.000 1.389 645 H CB 0.483 30.242 29.762 -0.006 0.000 1.491 645 H HN 0.449 nan 8.280 nan 0.000 0.518 646 S N -0.187 115.459 115.700 -0.090 0.000 2.596 646 S HA 0.444 4.913 4.470 -0.001 0.000 0.270 646 S C 1.331 175.878 174.600 -0.089 0.000 1.155 646 S CA -0.173 57.974 58.200 -0.089 0.000 0.827 646 S CB 1.349 64.533 63.200 -0.028 0.000 1.130 646 S HN 0.631 nan 8.310 nan 0.000 0.467 647 R N 1.766 122.221 120.500 -0.074 0.000 2.159 647 R HA -0.142 4.198 4.340 -0.001 0.000 0.249 647 R C 0.719 176.989 176.300 -0.049 0.000 1.136 647 R CA 2.488 58.551 56.100 -0.062 0.000 0.951 647 R CB -1.852 28.422 30.300 -0.043 0.000 0.876 647 R HN 0.732 nan 8.270 nan 0.000 0.440 648 N N 0.172 118.851 118.700 -0.035 0.000 2.416 648 N HA 0.315 5.054 4.740 -0.001 0.000 0.265 648 N C 1.145 176.635 175.510 -0.034 0.000 1.195 648 N CA 0.593 53.627 53.050 -0.027 0.000 0.943 648 N CB 1.138 39.619 38.487 -0.011 0.000 1.115 648 N HN 0.642 nan 8.380 nan 0.000 0.481 649 E N 2.224 122.397 120.200 -0.045 0.000 2.285 649 E HA -0.019 4.331 4.350 -0.001 0.000 0.194 649 E C 1.741 178.290 176.600 -0.083 0.000 0.997 649 E CA 0.962 57.326 56.400 -0.060 0.000 0.845 649 E CB -0.611 29.052 29.700 -0.061 0.000 0.782 649 E HN 0.759 nan 8.360 nan 0.000 0.491 650 G N 0.371 109.128 108.800 -0.073 0.000 2.402 650 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.216 650 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.216 650 G C 1.898 176.758 174.900 -0.066 0.000 1.162 650 G CA 1.128 46.164 45.100 -0.107 0.000 0.777 650 G HN 0.428 nan 8.290 nan 0.000 0.539 651 V N 1.523 121.443 119.914 0.010 0.000 2.343 651 V HA -0.118 4.002 4.120 -0.001 0.000 0.247 651 V C 3.272 179.383 176.094 0.028 0.000 1.051 651 V CA 1.981 64.313 62.300 0.053 0.000 1.036 651 V CB -0.713 31.129 31.823 0.031 0.000 0.654 651 V HN 0.455 nan 8.190 nan 0.000 0.451 652 A N -0.354 122.457 122.820 -0.014 0.000 2.014 652 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 652 A C 2.354 179.915 177.584 -0.040 0.000 1.163 652 A CA 2.058 54.087 52.037 -0.013 0.000 0.652 652 A CB -0.666 18.324 19.000 -0.017 0.000 0.808 652 A HN 0.519 nan 8.150 nan 0.000 0.449 653 T N -1.456 113.032 114.554 -0.111 0.000 2.851 653 T HA -0.075 4.274 4.350 -0.001 0.000 0.262 653 T C 1.659 176.282 174.700 -0.128 0.000 1.043 653 T CA 1.396 63.390 62.100 -0.176 0.000 1.140 653 T CB -0.423 68.257 68.868 -0.312 0.000 0.872 653 T HN 0.618 nan 8.240 nan 0.000 0.446 654 Y N 1.027 121.312 120.300 -0.025 0.000 2.373 654 Y HA 0.109 4.659 4.550 -0.001 0.000 0.293 654 Y C 2.766 178.647 175.900 -0.031 0.000 1.129 654 Y CA 0.262 58.342 58.100 -0.033 0.000 1.226 654 Y CB -0.151 38.275 38.460 -0.056 0.000 1.000 654 Y HN 0.207 nan 8.280 nan 0.000 0.549 655 A N 0.114 123.005 122.820 0.119 0.000 1.872 655 A HA -0.048 4.272 4.320 -0.001 0.000 0.214 655 A C 2.309 179.927 177.584 0.058 0.000 1.187 655 A CA 1.388 53.468 52.037 0.072 0.000 0.614 655 A CB -0.981 18.051 19.000 0.052 0.000 0.826 655 A HN 0.354 nan 8.150 nan 0.000 0.442 656 A N -0.398 122.445 122.820 0.038 0.000 2.066 656 A HA 0.319 4.639 4.320 -0.001 0.000 0.218 656 A C 2.289 179.898 177.584 0.042 0.000 1.157 656 A CA 1.546 53.600 52.037 0.028 0.000 0.670 656 A CB -0.641 18.353 19.000 -0.011 0.000 0.804 656 A HN 0.918 nan 8.150 nan 0.000 0.453 657 A N -0.358 122.490 122.820 0.046 0.000 2.014 657 A HA 0.291 4.611 4.320 -0.001 0.000 0.218 657 A C 2.115 179.782 177.584 0.139 0.000 1.163 657 A CA 1.409 53.496 52.037 0.083 0.000 0.652 657 A CB -0.855 18.200 19.000 0.091 0.000 0.808 657 A HN 1.037 nan 8.150 nan 0.000 0.449 658 V N -0.939 119.038 119.914 0.105 0.000 3.217 658 V HA 0.120 4.240 4.120 -0.001 0.000 0.264 658 V C 2.154 178.301 176.094 0.089 0.000 1.135 658 V CA 1.763 64.112 62.300 0.082 0.000 1.142 658 V CB -0.502 31.349 31.823 0.047 0.000 0.754 658 V HN 0.443 nan 8.190 nan 0.000 0.484 659 L N -2.325 118.966 121.223 0.113 0.000 2.298 659 L HA 0.117 4.457 4.340 -0.001 0.000 0.209 659 L C 2.345 179.315 176.870 0.168 0.000 1.084 659 L CA 0.596 55.504 54.840 0.114 0.000 0.816 659 L CB -0.216 41.904 42.059 0.102 0.000 0.967 659 L HN 0.420 nan 8.230 nan 0.000 0.460 660 F N 1.449 121.408 119.950 0.015 0.000 2.134 660 F HA -0.242 4.285 4.527 -0.001 0.000 0.299 660 F C 2.872 178.680 175.800 0.013 0.000 1.097 660 F CA 1.918 59.926 58.000 0.014 0.000 1.264 660 F CB -0.443 38.566 39.000 0.016 0.000 1.001 660 F HN -0.042 nan 8.300 nan 0.000 0.479 661 R N -0.236 120.349 120.500 0.142 0.000 2.127 661 R HA 0.415 4.754 4.340 -0.001 0.000 0.217 661 R C 1.194 177.503 176.300 0.014 0.000 1.074 661 R CA 1.612 57.743 56.100 0.051 0.000 0.991 661 R CB -1.526 28.819 30.300 0.075 0.000 0.895 661 R HN 0.268 nan 8.270 nan 0.000 0.450 662 M N 0.000 119.619 119.600 0.031 0.000 2.572 662 M HA 0.000 4.480 4.480 -0.001 0.000 0.227 662 M CA 0.000 55.310 55.300 0.017 0.000 0.988 662 M CB 0.000 32.616 32.600 0.027 0.000 1.302 662 M HN 0.000 nan 8.290 nan 0.000 0.411