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 1th1_1_A DATA FIRST_RESID 145 DATA SEQUENCE DAELATRAIP ELTKLLNDED QVVVNKAAVM VHQLSKKEAS RHAIMRSPQM DATA SEQUENCE VSAIVRTMQN TNDVETARCT AGTLHNLSHH REGLLAIFKS GGIPALVKML DATA SEQUENCE GSPVDSVLFY AITTLHNLLL HQEGAKMAVR LAGGLQKMVA LLNKTNVKFL DATA SEQUENCE AITTDCLQIL AYGNQESKLI ILASGGPQAL VNIMRTYTYE KLLWTTSRVL DATA SEQUENCE KVLSVCSSNK PAIVEAGGMQ ALGLHLTDPS QRLVQNCLWT LRNLSDAATK DATA SEQUENCE QEGMEGLLGT LVQLLGSDDI NVVTCAAGIL SNLTCNNYKN KMMVCQVGGI DATA SEQUENCE EALVRTVLRA GDREDITEPA ICALRHLTSR HQEAEMAQNA VRLHYGLPVV DATA SEQUENCE VKLLHPPSHW PLIKATVGLI RNLALCPANH APLREQGAIP RLVQLLVRAH DATA SEQUENCE QDTQRRTSXX XXXXQFVEGV RMEEIVEGCT GALHILARDV HNRIVIRGLN DATA SEQUENCE TIPLFVQLLY SPIENIQRVA AGVLCELAQD KEAAEAIEAE GATAPLTELL DATA SEQUENCE HSRNEGVATY AAAVLFRMSE 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 145 D HA 0.000 nan 4.640 nan 0.000 0.175 145 D C 0.000 176.290 176.300 -0.017 0.000 2.045 145 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 145 D CB 0.000 40.780 40.800 -0.033 0.000 0.688 146 A N 0.493 123.303 122.820 -0.017 0.000 2.238 146 A HA 0.175 4.471 4.320 -0.041 0.000 0.210 146 A C 1.539 179.121 177.584 -0.003 0.000 1.179 146 A CA 1.071 53.102 52.037 -0.010 0.000 0.827 146 A CB 0.287 19.280 19.000 -0.012 0.000 0.856 146 A HN 0.037 nan 8.150 nan 0.000 0.488 147 E N -1.566 118.631 120.200 -0.005 0.000 2.367 147 E HA 0.166 4.492 4.350 -0.041 0.000 0.204 147 E C 1.571 178.170 176.600 -0.002 0.000 0.840 147 E CA 0.106 56.504 56.400 -0.003 0.000 1.051 147 E CB -0.123 29.575 29.700 -0.004 0.000 1.051 147 E HN 0.327 nan 8.360 nan 0.000 0.509 148 L N 0.600 121.821 121.223 -0.004 0.000 2.072 148 L HA 0.154 4.470 4.340 -0.041 0.000 0.205 148 L C 1.887 178.756 176.870 -0.001 0.000 1.079 148 L CA 1.895 56.734 54.840 -0.003 0.000 0.752 148 L CB -0.361 41.695 42.059 -0.005 0.000 0.906 148 L HN 0.128 nan 8.230 nan 0.000 0.436 149 A N -2.248 120.572 122.820 -0.001 0.000 2.132 149 A HA 0.005 4.301 4.320 -0.041 0.000 0.213 149 A C 2.040 179.629 177.584 0.007 0.000 1.154 149 A CA 1.205 53.244 52.037 0.003 0.000 0.753 149 A CB -0.730 18.271 19.000 0.002 0.000 0.826 149 A HN 0.443 nan 8.150 nan 0.000 0.469 150 T N -0.107 114.451 114.554 0.006 0.000 3.035 150 T HA -0.023 4.303 4.350 -0.041 0.000 0.268 150 T C 1.719 176.424 174.700 0.008 0.000 1.109 150 T CA 0.804 62.909 62.100 0.009 0.000 1.119 150 T CB -0.093 68.780 68.868 0.008 0.000 0.900 150 T HN 0.332 nan 8.240 nan 0.000 0.503 151 R N 0.617 121.121 120.500 0.006 0.000 2.290 151 R HA 0.416 4.731 4.340 -0.041 0.000 0.197 151 R C 1.888 178.192 176.300 0.006 0.000 0.913 151 R CA 0.310 56.414 56.100 0.005 0.000 1.040 151 R CB -0.266 30.036 30.300 0.004 0.000 0.992 151 R HN 0.350 nan 8.270 nan 0.000 0.500 152 A N 0.504 123.328 122.820 0.007 0.000 2.303 152 A HA 0.157 4.452 4.320 -0.041 0.000 0.217 152 A C 1.720 179.311 177.584 0.011 0.000 1.205 152 A CA 0.025 52.067 52.037 0.008 0.000 0.875 152 A CB 0.074 19.078 19.000 0.007 0.000 0.910 152 A HN -0.040 nan 8.150 nan 0.000 0.501 153 I N 0.456 121.033 120.570 0.012 0.000 2.333 153 I HA -0.035 4.110 4.170 -0.041 0.000 0.246 153 I C -0.880 175.245 176.117 0.014 0.000 1.106 153 I CA 0.824 62.133 61.300 0.015 0.000 1.411 153 I CB -1.757 36.253 38.000 0.018 0.000 1.082 153 I HN 0.105 nan 8.210 nan 0.000 0.420 154 P HA -0.088 nan 4.420 nan 0.000 0.229 154 P C 1.400 178.706 177.300 0.009 0.000 1.160 154 P CA 0.780 63.886 63.100 0.010 0.000 0.777 154 P CB 0.233 31.938 31.700 0.008 0.000 0.814 155 E N 0.122 120.328 120.200 0.009 0.000 2.072 155 E HA -0.074 4.252 4.350 -0.041 0.000 0.190 155 E C 1.672 178.278 176.600 0.010 0.000 0.982 155 E CA 1.064 57.469 56.400 0.009 0.000 0.803 155 E CB -1.080 28.625 29.700 0.008 0.000 0.755 155 E HN 0.142 nan 8.360 nan 0.000 0.453 156 L N -0.040 121.190 121.223 0.012 0.000 2.395 156 L HA -0.025 4.290 4.340 -0.041 0.000 0.218 156 L C 1.993 178.871 176.870 0.014 0.000 1.130 156 L CA 1.118 55.967 54.840 0.014 0.000 0.826 156 L CB -0.147 41.923 42.059 0.018 0.000 0.941 156 L HN 0.140 nan 8.230 nan 0.000 0.451 157 T N -0.779 113.782 114.554 0.013 0.000 2.896 157 T HA -0.092 4.233 4.350 -0.041 0.000 0.263 157 T C 1.894 176.599 174.700 0.009 0.000 1.050 157 T CA 0.897 63.004 62.100 0.011 0.000 1.140 157 T CB 0.077 68.951 68.868 0.011 0.000 0.877 157 T HN 0.265 nan 8.240 nan 0.000 0.457 158 K N 0.672 121.077 120.400 0.008 0.000 2.097 158 K HA 0.069 4.365 4.320 -0.041 0.000 0.205 158 K C 1.891 178.495 176.600 0.006 0.000 1.050 158 K CA 0.795 57.086 56.287 0.006 0.000 0.938 158 K CB -0.222 32.282 32.500 0.006 0.000 0.718 158 K HN 0.122 nan 8.250 nan 0.000 0.442 159 L N 0.614 121.841 121.223 0.008 0.000 2.376 159 L HA -0.097 4.218 4.340 -0.041 0.000 0.219 159 L C 1.757 178.632 176.870 0.008 0.000 1.133 159 L CA 1.044 55.889 54.840 0.008 0.000 0.816 159 L CB -0.167 41.898 42.059 0.009 0.000 0.933 159 L HN 0.117 nan 8.230 nan 0.000 0.449 160 L N -1.139 120.089 121.223 0.008 0.000 2.416 160 L HA 0.095 4.411 4.340 -0.041 0.000 0.216 160 L C 1.707 178.580 176.870 0.005 0.000 1.098 160 L CA 1.069 55.914 54.840 0.007 0.000 0.840 160 L CB -0.633 41.432 42.059 0.009 0.000 0.981 160 L HN 0.299 nan 8.230 nan 0.000 0.462 161 N N -0.457 118.246 118.700 0.005 0.000 2.322 161 N HA -0.040 4.676 4.740 -0.041 0.000 0.194 161 N C 0.167 175.679 175.510 0.003 0.000 1.126 161 N CA 0.040 53.092 53.050 0.004 0.000 0.845 161 N CB 0.489 38.978 38.487 0.004 0.000 0.976 161 N HN 0.347 nan 8.380 nan 0.000 0.475 162 D N 0.909 121.311 120.400 0.004 0.000 2.382 162 D HA -0.028 4.588 4.640 -0.041 0.000 0.240 162 D C 0.620 176.922 176.300 0.002 0.000 1.146 162 D CA 0.222 54.224 54.000 0.003 0.000 0.897 162 D CB 1.344 42.146 40.800 0.004 0.000 1.197 162 D HN -0.025 nan 8.370 nan 0.000 0.432 163 E N 0.481 120.682 120.200 0.002 0.000 2.216 163 E HA -0.056 4.270 4.350 -0.041 0.000 0.192 163 E C -0.201 176.399 176.600 0.001 0.000 0.988 163 E CA 0.492 56.893 56.400 0.001 0.000 0.834 163 E CB 0.084 29.785 29.700 0.001 0.000 0.772 163 E HN 0.336 nan 8.360 nan 0.000 0.479 164 D N 0.044 120.445 120.400 0.002 0.000 2.339 164 D HA 0.054 4.669 4.640 -0.041 0.000 0.241 164 D C -0.283 176.018 176.300 0.002 0.000 1.183 164 D CA -0.157 53.843 54.000 0.002 0.000 0.859 164 D CB 0.822 41.623 40.800 0.002 0.000 1.067 164 D HN -0.243 nan 8.370 nan 0.000 0.484 165 Q N 2.511 122.311 119.800 0.001 0.000 2.283 165 Q HA 0.155 4.470 4.340 -0.041 0.000 0.223 165 Q C 0.469 176.469 176.000 0.001 0.000 0.918 165 Q CA 0.114 55.917 55.803 0.001 0.000 0.952 165 Q CB 0.176 28.914 28.738 0.000 0.000 1.030 165 Q HN 0.423 nan 8.270 nan 0.000 0.452 166 V N -2.710 117.205 119.914 0.001 0.000 3.359 166 V HA -0.005 4.090 4.120 -0.041 0.000 0.245 166 V C 1.458 177.554 176.094 0.003 0.000 1.247 166 V CA 0.425 62.726 62.300 0.002 0.000 1.145 166 V CB 0.619 32.443 31.823 0.002 0.000 0.906 166 V HN 0.145 nan 8.190 nan 0.000 0.464 167 V N 0.114 120.030 119.914 0.003 0.000 2.591 167 V HA -0.112 3.983 4.120 -0.041 0.000 0.249 167 V C 2.390 178.487 176.094 0.006 0.000 1.053 167 V CA 1.557 63.860 62.300 0.005 0.000 1.068 167 V CB 0.032 31.858 31.823 0.004 0.000 0.689 167 V HN 0.404 nan 8.190 nan 0.000 0.462 168 V N 0.868 120.785 119.914 0.004 0.000 2.427 168 V HA -0.240 3.856 4.120 -0.041 0.000 0.248 168 V C 2.063 178.159 176.094 0.003 0.000 1.051 168 V CA 2.199 64.501 62.300 0.004 0.000 1.048 168 V CB -0.977 30.848 31.823 0.002 0.000 0.666 168 V HN 0.644 nan 8.190 nan 0.000 0.456 169 N N -0.134 118.567 118.700 0.002 0.000 2.216 169 N HA -0.126 4.590 4.740 -0.041 0.000 0.183 169 N C 1.797 177.310 175.510 0.005 0.000 1.017 169 N CA 0.766 53.816 53.050 0.001 0.000 0.861 169 N CB -0.068 38.419 38.487 -0.001 0.000 0.986 169 N HN 0.387 nan 8.380 nan 0.000 0.428 170 K N 1.132 121.537 120.400 0.008 0.000 2.155 170 K HA 0.029 4.325 4.320 -0.041 0.000 0.203 170 K C 1.982 178.593 176.600 0.017 0.000 1.052 170 K CA 0.546 56.840 56.287 0.013 0.000 0.948 170 K CB -0.125 32.381 32.500 0.011 0.000 0.728 170 K HN 0.134 nan 8.250 nan 0.000 0.448 171 A N 1.400 124.229 122.820 0.015 0.000 1.929 171 A HA 0.016 4.312 4.320 -0.041 0.000 0.216 171 A C 2.352 179.951 177.584 0.025 0.000 1.176 171 A CA 1.588 53.636 52.037 0.018 0.000 0.628 171 A CB -0.387 18.621 19.000 0.014 0.000 0.816 171 A HN 0.265 nan 8.150 nan 0.000 0.444 172 A N -0.546 122.285 122.820 0.018 0.000 2.015 172 A HA 0.077 4.373 4.320 -0.041 0.000 0.219 172 A C 2.066 179.673 177.584 0.038 0.000 1.163 172 A CA 1.604 53.650 52.037 0.016 0.000 0.646 172 A CB -0.584 18.411 19.000 -0.008 0.000 0.806 172 A HN 0.360 nan 8.150 nan 0.000 0.448 173 V N -1.077 118.864 119.914 0.044 0.000 2.719 173 V HA -0.171 3.924 4.120 -0.041 0.000 0.252 173 V C 2.431 178.584 176.094 0.097 0.000 1.065 173 V CA 1.963 64.311 62.300 0.080 0.000 1.086 173 V CB -0.485 31.370 31.823 0.054 0.000 0.700 173 V HN 0.595 nan 8.190 nan 0.000 0.467 174 M N -0.145 119.493 119.600 0.063 0.000 2.193 174 M HA -0.045 4.411 4.480 -0.041 0.000 0.265 174 M C 1.966 178.299 176.300 0.055 0.000 1.071 174 M CA 1.649 56.978 55.300 0.049 0.000 1.140 174 M CB -0.217 32.402 32.600 0.032 0.000 1.369 174 M HN 0.144 nan 8.290 nan 0.000 0.423 175 V N -0.668 119.285 119.914 0.065 0.000 2.515 175 V HA -0.267 3.829 4.120 -0.041 0.000 0.250 175 V C 2.321 178.476 176.094 0.102 0.000 1.058 175 V CA 2.040 64.380 62.300 0.068 0.000 1.064 175 V CB -1.223 30.635 31.823 0.059 0.000 0.675 175 V HN 0.539 nan 8.190 nan 0.000 0.461 176 H N 0.583 119.654 119.070 0.002 0.000 2.357 176 H HA -0.105 4.426 4.556 -0.041 0.000 0.301 176 H C 2.337 177.670 175.328 0.009 0.000 1.082 176 H CA 1.951 57.996 56.048 -0.005 0.000 1.342 176 H CB -0.054 29.699 29.762 -0.015 0.000 1.389 176 H HN 0.437 nan 8.280 nan 0.000 0.511 177 Q N -0.482 119.302 119.800 -0.026 0.000 2.224 177 Q HA -0.042 4.274 4.340 -0.041 0.000 0.203 177 Q C 2.131 178.098 176.000 -0.055 0.000 0.970 177 Q CA 0.985 56.741 55.803 -0.077 0.000 0.865 177 Q CB 0.187 28.916 28.738 -0.015 0.000 0.922 177 Q HN 0.478 nan 8.270 nan 0.000 0.445 178 L N 0.017 121.230 121.223 -0.017 0.000 2.341 178 L HA -0.042 4.274 4.340 -0.041 0.000 0.214 178 L C 2.221 179.093 176.870 0.003 0.000 1.115 178 L CA 0.660 55.498 54.840 -0.003 0.000 0.820 178 L CB -0.091 41.977 42.059 0.015 0.000 0.944 178 L HN 0.205 nan 8.230 nan 0.000 0.452 179 S N -1.370 114.329 115.700 -0.001 0.000 2.527 179 S HA -0.059 4.387 4.470 -0.041 0.000 0.222 179 S C 1.785 176.387 174.600 0.005 0.000 0.985 179 S CA 0.222 58.439 58.200 0.029 0.000 0.921 179 S CB 0.062 63.300 63.200 0.063 0.000 0.772 179 S HN 0.173 nan 8.310 nan 0.000 0.529 180 K N 1.563 121.932 120.400 -0.052 0.000 2.062 180 K HA 0.210 4.505 4.320 -0.041 0.000 0.205 180 K C 0.588 177.176 176.600 -0.021 0.000 1.051 180 K CA 0.865 57.120 56.287 -0.053 0.000 0.941 180 K CB -0.066 32.382 32.500 -0.086 0.000 0.719 180 K HN 0.355 nan 8.250 nan 0.000 0.440 181 K N 0.886 121.273 120.400 -0.021 0.000 2.270 181 K HA 0.000 4.296 4.320 -0.041 0.000 0.276 181 K C 0.798 177.383 176.600 -0.024 0.000 1.023 181 K CA 0.043 56.315 56.287 -0.025 0.000 0.955 181 K CB 1.099 33.581 32.500 -0.029 0.000 0.975 181 K HN 0.109 nan 8.250 nan 0.000 0.471 182 E N 2.317 122.482 120.200 -0.058 0.000 2.047 182 E HA -0.212 4.114 4.350 -0.041 0.000 0.191 182 E C 1.670 178.097 176.600 -0.289 0.000 0.987 182 E CA 1.275 57.600 56.400 -0.125 0.000 0.799 182 E CB 0.090 29.702 29.700 -0.146 0.000 0.752 182 E HN 0.746 nan 8.360 nan 0.000 0.449 183 A N 0.898 123.583 122.820 -0.225 0.000 1.902 183 A HA -0.183 4.113 4.320 -0.041 0.000 0.217 183 A C 2.292 179.813 177.584 -0.105 0.000 1.181 183 A CA 2.155 54.064 52.037 -0.213 0.000 0.623 183 A CB -0.598 18.326 19.000 -0.126 0.000 0.818 183 A HN 0.415 nan 8.150 nan 0.000 0.443 184 S N -1.109 114.562 115.700 -0.048 0.000 2.496 184 S HA -0.002 4.444 4.470 -0.041 0.000 0.224 184 S C 1.875 176.501 174.600 0.043 0.000 0.996 184 S CA 0.717 58.917 58.200 0.000 0.000 0.927 184 S CB -0.257 62.943 63.200 -0.001 0.000 0.774 184 S HN 0.590 nan 8.310 nan 0.000 0.524 185 R N 0.390 120.932 120.500 0.069 0.000 2.073 185 R HA -0.068 4.248 4.340 -0.041 0.000 0.229 185 R C 1.845 178.258 176.300 0.188 0.000 1.120 185 R CA 1.424 57.610 56.100 0.145 0.000 0.967 185 R CB -0.331 30.094 30.300 0.208 0.000 0.862 185 R HN 0.461 nan 8.270 nan 0.000 0.436 186 H N -0.241 118.793 119.070 -0.060 0.000 2.423 186 H HA 0.041 4.572 4.556 -0.040 0.000 0.297 186 H C 1.744 177.047 175.328 -0.041 0.000 1.075 186 H CA 1.289 57.282 56.048 -0.090 0.000 1.342 186 H CB -0.178 29.514 29.762 -0.117 0.000 1.395 186 H HN 0.345 nan 8.280 nan 0.000 0.530 187 A N 0.344 123.227 122.820 0.104 0.000 1.968 187 A HA -0.034 4.261 4.320 -0.041 0.000 0.217 187 A C 2.375 179.985 177.584 0.044 0.000 1.169 187 A CA 0.992 53.062 52.037 0.056 0.000 0.638 187 A CB -0.506 18.516 19.000 0.036 0.000 0.812 187 A HN 0.322 nan 8.150 nan 0.000 0.446 188 I N -0.792 119.810 120.570 0.053 0.000 2.233 188 I HA -0.241 3.905 4.170 -0.041 0.000 0.243 188 I C 2.690 178.833 176.117 0.044 0.000 1.093 188 I CA 1.655 62.984 61.300 0.048 0.000 1.380 188 I CB -0.290 37.746 38.000 0.061 0.000 1.067 188 I HN 0.476 nan 8.210 nan 0.000 0.413 189 M N 0.669 120.297 119.600 0.046 0.000 2.108 189 M HA -0.242 4.213 4.480 -0.041 0.000 0.261 189 M C 2.251 178.558 176.300 0.012 0.000 1.066 189 M CA 1.873 57.190 55.300 0.028 0.000 1.107 189 M CB -0.091 32.507 32.600 -0.002 0.000 1.356 189 M HN -0.020 nan 8.290 nan 0.000 0.406 190 R N 1.125 121.629 120.500 0.007 0.000 2.280 190 R HA 0.044 4.359 4.340 -0.041 0.000 0.207 190 R C 0.278 176.586 176.300 0.012 0.000 1.043 190 R CA 0.885 56.988 56.100 0.005 0.000 1.006 190 R CB -0.143 30.161 30.300 0.007 0.000 0.885 190 R HN 0.519 nan 8.270 nan 0.000 0.467 191 S N -0.886 114.824 115.700 0.018 0.000 2.498 191 S HA 0.378 4.823 4.470 -0.041 0.000 0.324 191 S C -2.270 172.341 174.600 0.019 0.000 1.071 191 S CA -1.561 56.650 58.200 0.017 0.000 1.113 191 S CB 2.124 65.334 63.200 0.017 0.000 0.976 191 S HN -0.167 nan 8.310 nan 0.000 0.462 192 P HA -0.113 nan 4.420 nan 0.000 0.218 192 P C 1.248 178.556 177.300 0.013 0.000 1.149 192 P CA 1.093 64.203 63.100 0.016 0.000 0.817 192 P CB 0.077 31.785 31.700 0.013 0.000 0.785 193 Q N -1.669 118.138 119.800 0.012 0.000 2.119 193 Q HA -0.082 4.234 4.340 -0.041 0.000 0.201 193 Q C 2.144 178.151 176.000 0.012 0.000 0.972 193 Q CA 1.021 56.830 55.803 0.010 0.000 0.847 193 Q CB -0.544 28.200 28.738 0.009 0.000 0.903 193 Q HN 0.197 nan 8.270 nan 0.000 0.433 194 M N 0.369 119.979 119.600 0.016 0.000 2.156 194 M HA -0.097 4.359 4.480 -0.041 0.000 0.264 194 M C 2.045 178.359 176.300 0.023 0.000 1.067 194 M CA 1.180 56.492 55.300 0.020 0.000 1.131 194 M CB -0.033 32.581 32.600 0.024 0.000 1.368 194 M HN 0.108 nan 8.290 nan 0.000 0.416 195 V N 0.192 120.121 119.914 0.025 0.000 2.453 195 V HA -0.185 3.910 4.120 -0.041 0.000 0.247 195 V C 2.395 178.502 176.094 0.022 0.000 1.048 195 V CA 1.817 64.135 62.300 0.030 0.000 1.049 195 V CB -1.105 30.740 31.823 0.036 0.000 0.672 195 V HN 0.604 nan 8.190 nan 0.000 0.457 196 S N 0.885 116.594 115.700 0.015 0.000 2.481 196 S HA 0.015 4.461 4.470 -0.041 0.000 0.231 196 S C 1.918 176.522 174.600 0.007 0.000 0.996 196 S CA 1.015 59.219 58.200 0.007 0.000 0.942 196 S CB -0.208 62.992 63.200 0.000 0.000 0.768 196 S HN 0.541 nan 8.310 nan 0.000 0.520 197 A N 1.650 124.476 122.820 0.010 0.000 1.975 197 A HA 0.353 4.649 4.320 -0.041 0.000 0.215 197 A C 2.075 179.666 177.584 0.011 0.000 1.170 197 A CA 0.620 52.663 52.037 0.009 0.000 0.656 197 A CB -0.529 18.477 19.000 0.011 0.000 0.821 197 A HN 0.533 nan 8.150 nan 0.000 0.449 198 I N -0.551 120.028 120.570 0.015 0.000 2.353 198 I HA -0.155 3.990 4.170 -0.041 0.000 0.248 198 I C 2.244 178.370 176.117 0.014 0.000 1.119 198 I CA 0.777 62.087 61.300 0.016 0.000 1.417 198 I CB -0.170 37.844 38.000 0.025 0.000 1.078 198 I HN 0.119 nan 8.210 nan 0.000 0.421 199 V N 0.714 120.638 119.914 0.016 0.000 2.358 199 V HA -0.247 3.849 4.120 -0.041 0.000 0.246 199 V C 2.618 178.718 176.094 0.010 0.000 1.047 199 V CA 1.757 64.066 62.300 0.015 0.000 1.035 199 V CB -0.685 31.147 31.823 0.013 0.000 0.658 199 V HN 0.368 nan 8.190 nan 0.000 0.452 200 R N -0.366 120.137 120.500 0.006 0.000 2.096 200 R HA -0.154 4.162 4.340 -0.041 0.000 0.235 200 R C 2.375 178.677 176.300 0.004 0.000 1.127 200 R CA 2.006 58.108 56.100 0.003 0.000 0.968 200 R CB -0.357 29.943 30.300 0.001 0.000 0.861 200 R HN 0.550 nan 8.270 nan 0.000 0.440 201 T N 1.011 115.568 114.554 0.004 0.000 2.674 201 T HA -0.197 4.128 4.350 -0.041 0.000 0.265 201 T C 1.732 176.433 174.700 0.003 0.000 1.039 201 T CA 1.527 63.629 62.100 0.003 0.000 1.150 201 T CB -0.192 68.676 68.868 0.001 0.000 0.864 201 T HN 0.245 nan 8.240 nan 0.000 0.427 202 M N 1.421 121.024 119.600 0.005 0.000 2.088 202 M HA -0.259 4.197 4.480 -0.041 0.000 0.256 202 M C 2.547 178.855 176.300 0.013 0.000 1.071 202 M CA 1.964 57.269 55.300 0.009 0.000 1.097 202 M CB -0.296 32.313 32.600 0.016 0.000 1.315 202 M HN 0.375 nan 8.290 nan 0.000 0.406 203 Q N -1.569 118.239 119.800 0.013 0.000 2.435 203 Q HA -0.055 4.261 4.340 -0.041 0.000 0.207 203 Q C 0.742 176.747 176.000 0.009 0.000 0.956 203 Q CA 0.925 56.736 55.803 0.013 0.000 0.917 203 Q CB -0.188 28.557 28.738 0.012 0.000 0.997 203 Q HN 0.557 nan 8.270 nan 0.000 0.497 204 N N 0.489 119.193 118.700 0.006 0.000 2.250 204 N HA 0.069 4.784 4.740 -0.041 0.000 0.190 204 N C -0.272 175.239 175.510 0.003 0.000 1.116 204 N CA 0.281 53.334 53.050 0.004 0.000 0.881 204 N CB 0.798 39.287 38.487 0.002 0.000 1.006 204 N HN 0.120 nan 8.380 nan 0.000 0.491 205 T N 0.960 115.516 114.554 0.003 0.000 2.898 205 T HA 0.163 4.489 4.350 -0.041 0.000 0.301 205 T C 0.966 175.667 174.700 0.001 0.000 1.049 205 T CA 0.127 62.227 62.100 0.001 0.000 1.095 205 T CB 0.842 69.709 68.868 -0.001 0.000 0.976 205 T HN 0.206 nan 8.240 nan 0.000 0.539 206 N N -0.065 118.635 118.700 -0.001 0.000 2.257 206 N HA 0.099 4.815 4.740 -0.041 0.000 0.200 206 N C -0.405 175.103 175.510 -0.003 0.000 1.163 206 N CA -0.218 52.832 53.050 -0.001 0.000 0.891 206 N CB 0.486 38.973 38.487 -0.001 0.000 1.067 206 N HN 0.508 nan 8.380 nan 0.000 0.497 207 D N 0.605 121.002 120.400 -0.005 0.000 2.308 207 D HA 0.042 4.658 4.640 -0.041 0.000 0.251 207 D C 1.439 177.734 176.300 -0.009 0.000 1.127 207 D CA -0.381 53.614 54.000 -0.007 0.000 0.876 207 D CB 1.428 42.224 40.800 -0.007 0.000 1.176 207 D HN -0.018 nan 8.370 nan 0.000 0.446 208 V N 1.932 121.839 119.914 -0.011 0.000 2.548 208 V HA -0.058 4.037 4.120 -0.041 0.000 0.249 208 V C 1.855 177.939 176.094 -0.017 0.000 1.055 208 V CA 1.162 63.454 62.300 -0.014 0.000 1.065 208 V CB -0.559 31.253 31.823 -0.018 0.000 0.681 208 V HN 0.619 nan 8.190 nan 0.000 0.462 209 E N 0.918 121.107 120.200 -0.018 0.000 2.208 209 E HA -0.147 4.179 4.350 -0.041 0.000 0.193 209 E C 2.121 178.699 176.600 -0.036 0.000 0.988 209 E CA 1.716 58.104 56.400 -0.021 0.000 0.828 209 E CB -0.025 29.667 29.700 -0.013 0.000 0.763 209 E HN 0.706 nan 8.360 nan 0.000 0.478 210 T N 0.288 114.823 114.554 -0.031 0.000 2.937 210 T HA 0.076 4.401 4.350 -0.041 0.000 0.260 210 T C 1.862 176.532 174.700 -0.050 0.000 1.051 210 T CA 0.885 62.961 62.100 -0.040 0.000 1.141 210 T CB -0.065 68.790 68.868 -0.022 0.000 0.879 210 T HN 0.246 nan 8.240 nan 0.000 0.459 211 A N 2.837 125.640 122.820 -0.029 0.000 1.883 211 A HA -0.199 4.097 4.320 -0.041 0.000 0.217 211 A C 2.324 179.899 177.584 -0.014 0.000 1.186 211 A CA 1.983 54.012 52.037 -0.013 0.000 0.624 211 A CB -0.511 18.491 19.000 0.003 0.000 0.822 211 A HN 0.664 nan 8.150 nan 0.000 0.444 212 R N -1.334 119.158 120.500 -0.013 0.000 2.090 212 R HA -0.033 4.282 4.340 -0.041 0.000 0.228 212 R C 2.058 178.232 176.300 -0.209 0.000 1.110 212 R CA 1.516 57.637 56.100 0.035 0.000 0.973 212 R CB -1.239 29.125 30.300 0.106 0.000 0.869 212 R HN 0.362 nan 8.270 nan 0.000 0.440 213 C N 0.910 120.018 119.300 -0.320 0.000 2.440 213 C HA -0.001 4.435 4.460 -0.041 0.000 0.278 213 C C 2.520 177.240 174.990 -0.451 0.000 1.295 213 C CA 1.342 59.960 59.018 -0.667 0.000 1.738 213 C CB -0.702 26.819 27.740 -0.366 0.000 1.987 213 C HN 0.634 nan 8.230 nan 0.000 0.492 214 T N 0.562 114.987 114.554 -0.215 0.000 2.851 214 T HA -0.003 4.323 4.350 -0.041 0.000 0.262 214 T C 2.053 176.691 174.700 -0.102 0.000 1.043 214 T CA 1.350 63.386 62.100 -0.107 0.000 1.140 214 T CB -0.288 68.550 68.868 -0.051 0.000 0.872 214 T HN 0.577 nan 8.240 nan 0.000 0.446 215 A N 1.172 123.920 122.820 -0.119 0.000 2.066 215 A HA 0.273 4.569 4.320 -0.041 0.000 0.218 215 A C 2.471 179.880 177.584 -0.292 0.000 1.157 215 A CA 1.401 53.397 52.037 -0.068 0.000 0.670 215 A CB -0.960 18.087 19.000 0.078 0.000 0.804 215 A HN 0.495 nan 8.150 nan 0.000 0.453 216 G N -1.266 107.130 108.800 -0.673 0.000 2.464 216 G HA2 -0.023 3.913 3.960 -0.041 0.000 0.217 216 G HA3 -0.023 3.913 3.960 -0.041 0.000 0.217 216 G C 1.458 176.266 174.900 -0.155 0.000 1.138 216 G CA 1.451 45.952 45.100 -1.000 0.000 0.793 216 G HN 0.414 nan 8.290 nan 0.000 0.539 217 T N 1.483 116.026 114.554 -0.018 0.000 2.770 217 T HA 0.030 4.355 4.350 -0.041 0.000 0.263 217 T C 2.386 177.143 174.700 0.095 0.000 1.039 217 T CA 0.509 62.675 62.100 0.109 0.000 1.142 217 T CB -0.178 68.744 68.868 0.090 0.000 0.868 217 T HN 0.128 nan 8.240 nan 0.000 0.435 218 L N 0.727 121.987 121.223 0.062 0.000 2.191 218 L HA -0.127 4.189 4.340 -0.041 0.000 0.212 218 L C 2.674 179.618 176.870 0.124 0.000 1.103 218 L CA 1.254 56.146 54.840 0.086 0.000 0.769 218 L CB -0.729 41.375 42.059 0.074 0.000 0.908 218 L HN 0.461 nan 8.230 nan 0.000 0.438 219 H N 0.977 120.076 119.070 0.049 0.000 2.326 219 H HA -0.126 4.405 4.556 -0.041 0.000 0.301 219 H C 1.711 177.169 175.328 0.216 0.000 1.081 219 H CA 1.936 58.062 56.048 0.131 0.000 1.334 219 H CB -0.000 29.874 29.762 0.187 0.000 1.385 219 H HN 0.446 nan 8.280 nan 0.000 0.504 220 N N 0.242 119.095 118.700 0.255 0.000 2.188 220 N HA -0.082 4.633 4.740 -0.041 0.000 0.184 220 N C 2.164 177.785 175.510 0.185 0.000 1.018 220 N CA 0.802 53.986 53.050 0.224 0.000 0.858 220 N CB 0.145 38.745 38.487 0.189 0.000 0.989 220 N HN 0.274 nan 8.380 nan 0.000 0.426 221 L N 0.635 121.949 121.223 0.152 0.000 2.291 221 L HA -0.037 4.279 4.340 -0.041 0.000 0.214 221 L C 2.200 179.113 176.870 0.073 0.000 1.120 221 L CA 0.582 55.514 54.840 0.154 0.000 0.799 221 L CB -0.378 41.755 42.059 0.124 0.000 0.925 221 L HN 0.244 nan 8.230 nan 0.000 0.446 222 S N -2.171 113.529 115.700 0.000 0.000 2.603 222 S HA -0.108 4.338 4.470 -0.041 0.000 0.229 222 S C 1.532 176.002 174.600 -0.217 0.000 0.972 222 S CA 0.342 58.487 58.200 -0.092 0.000 0.935 222 S CB -0.572 62.558 63.200 -0.117 0.000 0.769 222 S HN 0.493 nan 8.310 nan 0.000 0.536 223 H N 0.505 119.388 119.070 -0.311 0.000 2.548 223 H HA 0.192 4.724 4.556 -0.040 0.000 0.265 223 H C -0.039 174.956 175.328 -0.555 0.000 0.969 223 H CA 0.530 56.317 56.048 -0.435 0.000 1.155 223 H CB 0.163 29.604 29.762 -0.536 0.000 1.394 223 H HN 0.532 nan 8.280 nan 0.000 0.570 224 H N 0.079 119.171 119.070 0.038 0.000 2.569 224 H HA 0.174 4.706 4.556 -0.041 0.000 0.357 224 H C 1.192 176.490 175.328 -0.050 0.000 1.153 224 H CA -0.471 55.556 56.048 -0.036 0.000 1.193 224 H CB 2.293 32.002 29.762 -0.088 0.000 1.602 224 H HN 0.073 nan 8.280 nan 0.000 0.523 225 R N 1.561 122.094 120.500 0.054 0.000 2.083 225 R HA -0.129 4.187 4.340 -0.041 0.000 0.237 225 R C 1.008 177.320 176.300 0.019 0.000 1.137 225 R CA 1.867 57.971 56.100 0.006 0.000 0.951 225 R CB 0.148 30.438 30.300 -0.017 0.000 0.851 225 R HN 0.677 nan 8.270 nan 0.000 0.434 226 E N -1.057 119.151 120.200 0.013 0.000 2.204 226 E HA -0.082 4.243 4.350 -0.041 0.000 0.194 226 E C 1.804 178.423 176.600 0.032 0.000 0.989 226 E CA 0.869 57.273 56.400 0.006 0.000 0.824 226 E CB -0.016 29.661 29.700 -0.038 0.000 0.756 226 E HN 0.617 nan 8.360 nan 0.000 0.477 227 G N 1.120 109.957 108.800 0.062 0.000 2.394 227 G HA2 -0.187 3.749 3.960 -0.041 0.000 0.215 227 G HA3 -0.187 3.749 3.960 -0.041 0.000 0.215 227 G C 1.561 176.505 174.900 0.074 0.000 1.165 227 G CA 0.189 45.338 45.100 0.082 0.000 0.784 227 G HN 0.069 nan 8.290 nan 0.000 0.535 228 L N -0.305 120.954 121.223 0.060 0.000 2.046 228 L HA -0.010 4.306 4.340 -0.041 0.000 0.208 228 L C 2.662 179.587 176.870 0.092 0.000 1.077 228 L CA 0.448 55.322 54.840 0.057 0.000 0.747 228 L CB -0.329 41.745 42.059 0.025 0.000 0.896 228 L HN 0.202 nan 8.230 nan 0.000 0.432 229 L N -0.204 121.067 121.223 0.081 0.000 2.093 229 L HA -0.096 4.220 4.340 -0.041 0.000 0.208 229 L C 2.566 179.527 176.870 0.153 0.000 1.085 229 L CA 1.844 56.757 54.840 0.121 0.000 0.755 229 L CB -0.619 41.485 42.059 0.075 0.000 0.904 229 L HN 0.143 nan 8.230 nan 0.000 0.435 230 A N -0.275 122.606 122.820 0.102 0.000 1.873 230 A HA -0.159 4.137 4.320 -0.041 0.000 0.215 230 A C 2.244 179.881 177.584 0.088 0.000 1.186 230 A CA 1.961 54.046 52.037 0.080 0.000 0.616 230 A CB -0.834 18.202 19.000 0.059 0.000 0.823 230 A HN 0.445 nan 8.150 nan 0.000 0.442 231 I N -1.794 118.838 120.570 0.105 0.000 2.208 231 I HA -0.254 3.892 4.170 -0.041 0.000 0.245 231 I C 2.344 178.542 176.117 0.135 0.000 1.097 231 I CA 1.633 62.996 61.300 0.104 0.000 1.363 231 I CB -0.320 37.743 38.000 0.106 0.000 1.051 231 I HN 0.441 nan 8.210 nan 0.000 0.413 232 F N 1.868 121.827 119.950 0.016 0.000 2.084 232 F HA -0.184 4.317 4.527 -0.042 0.000 0.296 232 F C 2.436 178.242 175.800 0.011 0.000 1.111 232 F CA 1.687 59.694 58.000 0.012 0.000 1.224 232 F CB -0.302 38.703 39.000 0.010 0.000 0.991 232 F HN -0.179 nan 8.300 nan 0.000 0.471 233 K N -0.139 120.257 120.400 -0.005 0.000 2.103 233 K HA -0.141 4.154 4.320 -0.041 0.000 0.207 233 K C 1.883 178.409 176.600 -0.123 0.000 1.048 233 K CA 1.607 57.831 56.287 -0.105 0.000 0.930 233 K CB -0.443 32.065 32.500 0.014 0.000 0.716 233 K HN 0.377 nan 8.250 nan 0.000 0.444 234 S N -0.392 115.270 115.700 -0.064 0.000 2.671 234 S HA 0.141 4.586 4.470 -0.041 0.000 0.220 234 S C 1.002 175.564 174.600 -0.063 0.000 0.951 234 S CA 0.133 58.304 58.200 -0.048 0.000 0.932 234 S CB 0.253 63.447 63.200 -0.009 0.000 0.777 234 S HN 0.403 nan 8.310 nan 0.000 0.508 235 G N 0.482 109.213 108.800 -0.115 0.000 2.256 235 G HA2 -0.169 3.767 3.960 -0.041 0.000 0.272 235 G HA3 -0.169 3.767 3.960 -0.041 0.000 0.272 235 G C 0.745 175.622 174.900 -0.039 0.000 1.076 235 G CA 0.019 45.059 45.100 -0.101 0.000 0.882 235 G HN 0.878 nan 8.290 nan 0.000 0.497 236 G N -0.423 108.372 108.800 -0.009 0.000 2.448 236 G HA2 0.111 4.047 3.960 -0.041 0.000 0.218 236 G HA3 0.111 4.047 3.960 -0.041 0.000 0.218 236 G C 1.755 176.686 174.900 0.051 0.000 1.135 236 G CA 1.101 46.222 45.100 0.034 0.000 0.784 236 G HN 0.606 nan 8.290 nan 0.000 0.543 237 I N 1.268 121.873 120.570 0.059 0.000 2.142 237 I HA -0.090 4.056 4.170 -0.041 0.000 0.240 237 I C -0.250 175.896 176.117 0.049 0.000 1.078 237 I CA 1.010 62.356 61.300 0.076 0.000 1.343 237 I CB -0.624 37.451 38.000 0.125 0.000 1.046 237 I HN 0.114 nan 8.210 nan 0.000 0.405 238 P HA -0.100 nan 4.420 nan 0.000 0.223 238 P C 1.270 178.585 177.300 0.025 0.000 1.151 238 P CA 1.306 64.418 63.100 0.020 0.000 0.787 238 P CB 0.031 31.732 31.700 0.001 0.000 0.788 239 A N -0.767 122.068 122.820 0.025 0.000 1.929 239 A HA -0.092 4.204 4.320 -0.041 0.000 0.216 239 A C 2.074 179.685 177.584 0.045 0.000 1.176 239 A CA 1.196 53.251 52.037 0.030 0.000 0.628 239 A CB -1.467 17.548 19.000 0.025 0.000 0.816 239 A HN 0.124 nan 8.150 nan 0.000 0.444 240 L N -0.749 120.509 121.223 0.057 0.000 2.179 240 L HA -0.073 4.243 4.340 -0.041 0.000 0.208 240 L C 2.397 179.312 176.870 0.075 0.000 1.096 240 L CA 0.433 55.319 54.840 0.076 0.000 0.779 240 L CB -0.242 41.870 42.059 0.088 0.000 0.922 240 L HN 0.213 nan 8.230 nan 0.000 0.443 241 V N 0.151 120.102 119.914 0.061 0.000 2.427 241 V HA -0.305 3.791 4.120 -0.041 0.000 0.248 241 V C 2.543 178.669 176.094 0.053 0.000 1.051 241 V CA 1.797 64.130 62.300 0.056 0.000 1.048 241 V CB -0.423 31.427 31.823 0.045 0.000 0.666 241 V HN 0.431 nan 8.190 nan 0.000 0.456 242 K N -0.493 119.934 120.400 0.045 0.000 2.147 242 K HA -0.162 4.134 4.320 -0.041 0.000 0.205 242 K C 1.994 178.622 176.600 0.047 0.000 1.049 242 K CA 1.320 57.630 56.287 0.039 0.000 0.936 242 K CB -0.066 32.453 32.500 0.031 0.000 0.722 242 K HN 0.251 nan 8.250 nan 0.000 0.446 243 M N 0.695 120.330 119.600 0.059 0.000 2.557 243 M HA -0.024 4.431 4.480 -0.041 0.000 0.259 243 M C 1.446 177.797 176.300 0.085 0.000 1.086 243 M CA 0.937 56.279 55.300 0.070 0.000 1.096 243 M CB -0.313 32.338 32.600 0.085 0.000 1.424 243 M HN 0.163 nan 8.290 nan 0.000 0.488 244 L N -0.786 120.490 121.223 0.088 0.000 2.610 244 L HA 0.053 4.369 4.340 -0.041 0.000 0.232 244 L C 1.708 178.630 176.870 0.086 0.000 1.149 244 L CA 0.121 55.026 54.840 0.108 0.000 0.872 244 L CB -0.551 41.572 42.059 0.106 0.000 0.992 244 L HN 0.321 nan 8.230 nan 0.000 0.447 245 G N -0.842 107.995 108.800 0.061 0.000 3.502 245 G HA2 0.070 4.005 3.960 -0.041 0.000 0.267 245 G HA3 0.070 4.005 3.960 -0.041 0.000 0.267 245 G C 0.400 175.319 174.900 0.032 0.000 1.090 245 G CA 0.012 45.139 45.100 0.045 0.000 0.795 245 G HN 0.301 nan 8.290 nan 0.000 0.535 246 S N 0.543 116.262 115.700 0.032 0.000 2.578 246 S HA 0.543 4.988 4.470 -0.041 0.000 0.283 246 S C -1.220 173.375 174.600 -0.008 0.000 1.195 246 S CA -1.226 56.982 58.200 0.012 0.000 1.050 246 S CB 2.616 65.825 63.200 0.015 0.000 1.012 246 S HN 0.008 nan 8.310 nan 0.000 0.511 247 P HA 0.085 nan 4.420 nan 0.000 0.236 247 P C -0.120 177.134 177.300 -0.077 0.000 1.177 247 P CA 0.156 63.231 63.100 -0.042 0.000 0.773 247 P CB -0.123 31.557 31.700 -0.034 0.000 0.878 248 V N 1.947 121.814 119.914 -0.077 0.000 2.508 248 V HA 0.037 4.133 4.120 -0.041 0.000 0.281 248 V C 1.470 177.452 176.094 -0.187 0.000 1.041 248 V CA 0.222 62.451 62.300 -0.118 0.000 1.016 248 V CB 0.403 32.176 31.823 -0.084 0.000 0.984 248 V HN -0.126 nan 8.190 nan 0.000 0.478 249 D N 2.801 123.017 120.400 -0.307 0.000 2.097 249 D HA -0.140 4.475 4.640 -0.041 0.000 0.195 249 D C 2.310 178.192 176.300 -0.696 0.000 0.989 249 D CA 1.893 55.558 54.000 -0.558 0.000 0.827 249 D CB -0.111 40.253 40.800 -0.726 0.000 0.966 249 D HN 0.758 nan 8.370 nan 0.000 0.456 250 S N -0.070 115.294 115.700 -0.560 0.000 2.383 250 S HA -0.156 4.289 4.470 -0.041 0.000 0.229 250 S C 2.221 176.640 174.600 -0.301 0.000 1.030 250 S CA 1.166 59.049 58.200 -0.528 0.000 1.002 250 S CB -0.793 62.206 63.200 -0.335 0.000 0.829 250 S HN 0.104 nan 8.310 nan 0.000 0.467 251 V N 2.299 122.170 119.914 -0.072 0.000 2.307 251 V HA -0.102 3.994 4.120 -0.041 0.000 0.245 251 V C 2.603 178.788 176.094 0.152 0.000 1.045 251 V CA 1.821 64.189 62.300 0.114 0.000 1.024 251 V CB -0.893 30.970 31.823 0.067 0.000 0.651 251 V HN 0.455 nan 8.190 nan 0.000 0.449 252 L N -1.350 119.930 121.223 0.096 0.000 2.042 252 L HA -0.179 4.136 4.340 -0.041 0.000 0.210 252 L C 2.472 179.594 176.870 0.421 0.000 1.076 252 L CA 1.564 56.538 54.840 0.223 0.000 0.749 252 L CB -0.667 41.447 42.059 0.092 0.000 0.893 252 L HN 0.237 nan 8.230 nan 0.000 0.432 253 F N -0.852 119.086 119.950 -0.020 0.000 2.216 253 F HA -0.217 4.286 4.527 -0.040 0.000 0.300 253 F C 2.344 178.178 175.800 0.056 0.000 1.085 253 F CA 1.038 59.041 58.000 0.006 0.000 1.326 253 F CB -0.947 37.915 39.000 -0.229 0.000 1.027 253 F HN 0.024 nan 8.300 nan 0.000 0.497 254 Y N -1.027 119.436 120.300 0.272 0.000 2.243 254 Y HA -0.029 4.496 4.550 -0.041 0.000 0.293 254 Y C 2.501 178.534 175.900 0.221 0.000 1.124 254 Y CA 0.537 58.758 58.100 0.202 0.000 1.159 254 Y CB -0.530 38.000 38.460 0.118 0.000 1.008 254 Y HN -0.030 nan 8.280 nan 0.000 0.527 255 A N -0.168 122.867 122.820 0.358 0.000 1.930 255 A HA -0.182 4.114 4.320 -0.041 0.000 0.217 255 A C 2.027 179.735 177.584 0.207 0.000 1.175 255 A CA 1.579 53.765 52.037 0.248 0.000 0.627 255 A CB -0.741 18.381 19.000 0.203 0.000 0.815 255 A HN 0.463 nan 8.150 nan 0.000 0.443 256 I N -0.712 119.991 120.570 0.222 0.000 2.500 256 I HA -0.083 4.063 4.170 -0.041 0.000 0.252 256 I C 2.224 178.398 176.117 0.096 0.000 1.142 256 I CA 1.714 63.084 61.300 0.115 0.000 1.451 256 I CB -0.170 37.851 38.000 0.035 0.000 1.093 256 I HN 0.247 nan 8.210 nan 0.000 0.430 257 T N -0.530 114.127 114.554 0.171 0.000 2.857 257 T HA -0.096 4.230 4.350 -0.041 0.000 0.266 257 T C 1.770 176.563 174.700 0.154 0.000 1.048 257 T CA 1.848 64.059 62.100 0.185 0.000 1.139 257 T CB -0.284 68.776 68.868 0.320 0.000 0.874 257 T HN 0.326 nan 8.240 nan 0.000 0.455 258 T N 2.318 116.977 114.554 0.175 0.000 2.770 258 T HA 0.135 4.460 4.350 -0.041 0.000 0.263 258 T C 1.977 176.723 174.700 0.076 0.000 1.039 258 T CA 0.695 62.858 62.100 0.105 0.000 1.142 258 T CB -0.369 68.585 68.868 0.144 0.000 0.868 258 T HN 0.209 nan 8.240 nan 0.000 0.435 259 L N 0.115 121.397 121.223 0.098 0.000 2.131 259 L HA -0.114 4.202 4.340 -0.041 0.000 0.210 259 L C 2.591 179.499 176.870 0.064 0.000 1.092 259 L CA 1.290 56.174 54.840 0.075 0.000 0.759 259 L CB -0.541 41.563 42.059 0.075 0.000 0.903 259 L HN 0.469 nan 8.230 nan 0.000 0.435 260 H N 0.214 119.256 119.070 -0.048 0.000 2.299 260 H HA -0.144 4.387 4.556 -0.042 0.000 0.302 260 H C 1.910 177.159 175.328 -0.131 0.000 1.078 260 H CA 1.550 57.542 56.048 -0.093 0.000 1.323 260 H CB 0.360 30.067 29.762 -0.092 0.000 1.381 260 H HN 0.343 nan 8.280 nan 0.000 0.498 261 N N 0.844 119.466 118.700 -0.129 0.000 2.149 261 N HA -0.133 4.583 4.740 -0.041 0.000 0.188 261 N C 2.268 177.680 175.510 -0.163 0.000 1.019 261 N CA 0.699 53.638 53.050 -0.185 0.000 0.857 261 N CB -0.358 38.073 38.487 -0.094 0.000 0.997 261 N HN 0.372 nan 8.380 nan 0.000 0.426 262 L N 0.521 121.688 121.223 -0.093 0.000 2.027 262 L HA -0.062 4.253 4.340 -0.041 0.000 0.206 262 L C 2.206 178.993 176.870 -0.138 0.000 1.074 262 L CA 0.759 55.554 54.840 -0.075 0.000 0.745 262 L CB -0.327 41.730 42.059 -0.003 0.000 0.898 262 L HN 0.102 nan 8.230 nan 0.000 0.433 263 L N -0.862 120.275 121.223 -0.142 0.000 2.131 263 L HA -0.222 4.093 4.340 -0.041 0.000 0.210 263 L C 2.370 179.094 176.870 -0.243 0.000 1.092 263 L CA 1.068 55.818 54.840 -0.151 0.000 0.759 263 L CB -0.315 41.688 42.059 -0.093 0.000 0.903 263 L HN 0.285 nan 8.230 nan 0.000 0.435 264 L N -1.418 119.555 121.223 -0.417 0.000 2.095 264 L HA -0.112 4.203 4.340 -0.041 0.000 0.204 264 L C 2.167 178.683 176.870 -0.589 0.000 1.080 264 L CA 0.779 55.248 54.840 -0.618 0.000 0.759 264 L CB -0.285 41.148 42.059 -1.043 0.000 0.914 264 L HN 0.378 nan 8.230 nan 0.000 0.439 265 H N -2.545 116.432 119.070 -0.155 0.000 3.046 265 H HA 0.212 4.744 4.556 -0.039 0.000 0.262 265 H C 0.114 175.358 175.328 -0.140 0.000 1.044 265 H CA -0.088 55.881 56.048 -0.131 0.000 1.209 265 H CB 0.632 30.323 29.762 -0.119 0.000 1.507 265 H HN 0.138 nan 8.280 nan 0.000 0.507 266 Q N 2.602 122.343 119.800 -0.099 0.000 2.325 266 Q HA 0.184 4.499 4.340 -0.041 0.000 0.262 266 Q C -0.575 175.249 176.000 -0.293 0.000 0.968 266 Q CA -0.642 55.036 55.803 -0.208 0.000 0.877 266 Q CB 1.190 29.768 28.738 -0.266 0.000 1.253 266 Q HN 0.437 nan 8.270 nan 0.000 0.448 267 E N 2.711 122.741 120.200 -0.283 0.000 2.338 267 E HA 0.472 4.798 4.350 -0.041 0.000 0.272 267 E C 0.459 176.826 176.600 -0.388 0.000 1.029 267 E CA 0.056 56.307 56.400 -0.248 0.000 0.872 267 E CB 0.601 30.215 29.700 -0.142 0.000 1.015 267 E HN 0.824 nan 8.360 nan 0.000 0.417 268 G N 2.273 110.930 108.800 -0.238 0.000 2.194 268 G HA2 -0.361 3.575 3.960 -0.041 0.000 0.236 268 G HA3 -0.361 3.575 3.960 -0.041 0.000 0.236 268 G C 0.955 175.803 174.900 -0.087 0.000 0.987 268 G CA 0.261 45.283 45.100 -0.130 0.000 0.635 268 G HN 0.885 nan 8.290 nan 0.000 0.520 269 A N 0.310 122.984 122.820 -0.243 0.000 1.929 269 A HA 0.201 4.497 4.320 -0.041 0.000 0.216 269 A C 2.176 179.775 177.584 0.024 0.000 1.176 269 A CA 2.141 54.138 52.037 -0.067 0.000 0.628 269 A CB -0.360 18.552 19.000 -0.146 0.000 0.816 269 A HN 0.498 nan 8.150 nan 0.000 0.444 270 K N -1.389 119.001 120.400 -0.016 0.000 2.032 270 K HA -0.154 4.141 4.320 -0.041 0.000 0.209 270 K C 1.989 178.605 176.600 0.028 0.000 1.048 270 K CA 1.712 58.000 56.287 0.002 0.000 0.927 270 K CB -0.280 32.213 32.500 -0.012 0.000 0.712 270 K HN 0.375 nan 8.250 nan 0.000 0.441 271 M N 0.782 120.406 119.600 0.040 0.000 2.229 271 M HA -0.047 4.409 4.480 -0.041 0.000 0.264 271 M C 1.981 178.324 176.300 0.072 0.000 1.063 271 M CA 1.249 56.579 55.300 0.050 0.000 1.114 271 M CB -0.317 32.315 32.600 0.053 0.000 1.387 271 M HN 0.173 nan 8.290 nan 0.000 0.420 272 A N -1.380 121.513 122.820 0.121 0.000 1.969 272 A HA -0.052 4.244 4.320 -0.041 0.000 0.218 272 A C 2.126 179.761 177.584 0.087 0.000 1.169 272 A CA 1.642 53.757 52.037 0.131 0.000 0.635 272 A CB -0.893 18.263 19.000 0.261 0.000 0.810 272 A HN 0.320 nan 8.150 nan 0.000 0.445 273 V N -0.291 119.669 119.914 0.077 0.000 2.591 273 V HA -0.165 3.931 4.120 -0.041 0.000 0.249 273 V C 2.544 178.660 176.094 0.036 0.000 1.053 273 V CA 1.806 64.138 62.300 0.053 0.000 1.068 273 V CB -0.757 31.092 31.823 0.044 0.000 0.689 273 V HN 0.494 nan 8.190 nan 0.000 0.462 274 R N -0.118 120.401 120.500 0.032 0.000 2.062 274 R HA -0.020 4.296 4.340 -0.041 0.000 0.231 274 R C 2.294 178.606 176.300 0.020 0.000 1.136 274 R CA 1.307 57.419 56.100 0.021 0.000 0.948 274 R CB -0.419 29.890 30.300 0.016 0.000 0.845 274 R HN 0.375 nan 8.270 nan 0.000 0.430 275 L N 0.204 121.442 121.223 0.025 0.000 2.191 275 L HA -0.115 4.200 4.340 -0.041 0.000 0.212 275 L C 2.393 179.273 176.870 0.017 0.000 1.103 275 L CA 1.016 55.868 54.840 0.019 0.000 0.769 275 L CB -0.340 41.732 42.059 0.021 0.000 0.908 275 L HN 0.252 nan 8.230 nan 0.000 0.438 276 A N -0.515 122.319 122.820 0.023 0.000 2.169 276 A HA 0.254 4.549 4.320 -0.041 0.000 0.212 276 A C 1.700 179.296 177.584 0.020 0.000 1.153 276 A CA 0.737 52.787 52.037 0.021 0.000 0.756 276 A CB -0.399 18.617 19.000 0.028 0.000 0.813 276 A HN 0.489 nan 8.150 nan 0.000 0.471 277 G N -1.721 107.091 108.800 0.019 0.000 2.182 277 G HA2 -0.113 3.823 3.960 -0.041 0.000 0.248 277 G HA3 -0.113 3.823 3.960 -0.041 0.000 0.248 277 G C 1.027 175.939 174.900 0.021 0.000 1.042 277 G CA 0.490 45.601 45.100 0.018 0.000 0.775 277 G HN 1.202 nan 8.290 nan 0.000 0.501 278 G N -0.329 108.485 108.800 0.024 0.000 2.484 278 G HA2 0.130 4.065 3.960 -0.041 0.000 0.218 278 G HA3 0.130 4.065 3.960 -0.041 0.000 0.218 278 G C 1.757 176.668 174.900 0.019 0.000 1.130 278 G CA 1.155 46.271 45.100 0.026 0.000 0.784 278 G HN 0.613 nan 8.290 nan 0.000 0.543 279 L N -0.126 121.104 121.223 0.012 0.000 2.093 279 L HA -0.092 4.223 4.340 -0.041 0.000 0.208 279 L C 2.903 179.778 176.870 0.008 0.000 1.085 279 L CA 1.633 56.476 54.840 0.005 0.000 0.755 279 L CB -0.359 41.701 42.059 0.001 0.000 0.904 279 L HN 0.306 nan 8.230 nan 0.000 0.435 280 Q N 0.289 120.096 119.800 0.012 0.000 2.084 280 Q HA -0.251 4.065 4.340 -0.041 0.000 0.202 280 Q C 2.114 178.128 176.000 0.023 0.000 0.978 280 Q CA 1.645 57.458 55.803 0.016 0.000 0.844 280 Q CB 0.134 28.882 28.738 0.016 0.000 0.898 280 Q HN 0.198 nan 8.270 nan 0.000 0.426 281 K N -0.141 120.276 120.400 0.028 0.000 2.057 281 K HA -0.044 4.252 4.320 -0.041 0.000 0.206 281 K C 1.920 178.548 176.600 0.046 0.000 1.050 281 K CA 1.644 57.956 56.287 0.041 0.000 0.935 281 K CB -0.062 32.465 32.500 0.046 0.000 0.715 281 K HN 0.268 nan 8.250 nan 0.000 0.439 282 M N -0.444 119.171 119.600 0.026 0.000 2.132 282 M HA -0.148 4.307 4.480 -0.041 0.000 0.263 282 M C 1.890 178.191 176.300 0.001 0.000 1.065 282 M CA 1.157 56.459 55.300 0.005 0.000 1.122 282 M CB -0.021 32.563 32.600 -0.026 0.000 1.365 282 M HN -0.089 nan 8.290 nan 0.000 0.411 283 V N 0.123 120.040 119.914 0.005 0.000 2.427 283 V HA -0.212 3.883 4.120 -0.041 0.000 0.248 283 V C 2.503 178.614 176.094 0.029 0.000 1.051 283 V CA 1.845 64.150 62.300 0.008 0.000 1.048 283 V CB -1.159 30.668 31.823 0.007 0.000 0.666 283 V HN 0.522 nan 8.190 nan 0.000 0.456 284 A N -0.538 122.305 122.820 0.039 0.000 2.070 284 A HA -0.070 4.226 4.320 -0.041 0.000 0.220 284 A C 2.029 179.659 177.584 0.076 0.000 1.159 284 A CA 1.309 53.377 52.037 0.051 0.000 0.656 284 A CB -0.443 18.585 19.000 0.047 0.000 0.800 284 A HN 0.542 nan 8.150 nan 0.000 0.453 285 L N -0.540 120.742 121.223 0.098 0.000 2.591 285 L HA 0.154 4.470 4.340 -0.041 0.000 0.228 285 L C 1.219 178.197 176.870 0.179 0.000 1.133 285 L CA -0.073 54.873 54.840 0.177 0.000 0.880 285 L CB -0.021 42.203 42.059 0.276 0.000 1.033 285 L HN 0.331 nan 8.230 nan 0.000 0.450 286 L N -0.146 121.135 121.223 0.097 0.000 2.650 286 L HA 0.001 4.317 4.340 -0.041 0.000 0.235 286 L C 1.346 178.283 176.870 0.111 0.000 1.149 286 L CA 0.082 54.970 54.840 0.079 0.000 0.887 286 L CB -0.358 41.725 42.059 0.039 0.000 1.021 286 L HN 0.350 nan 8.230 nan 0.000 0.441 287 N N -0.581 118.190 118.700 0.118 0.000 2.353 287 N HA 0.021 4.736 4.740 -0.041 0.000 0.185 287 N C 0.567 176.155 175.510 0.130 0.000 1.098 287 N CA 0.331 53.449 53.050 0.114 0.000 0.872 287 N CB 0.315 38.852 38.487 0.083 0.000 0.970 287 N HN 0.197 nan 8.380 nan 0.000 0.467 288 K N 0.399 120.891 120.400 0.154 0.000 2.149 288 K HA 0.146 4.442 4.320 -0.041 0.000 0.245 288 K C 0.961 177.647 176.600 0.143 0.000 1.024 288 K CA 0.240 56.611 56.287 0.139 0.000 0.899 288 K CB 0.540 33.147 32.500 0.178 0.000 1.038 288 K HN -0.085 nan 8.250 nan 0.000 0.496 289 T N -0.395 114.225 114.554 0.110 0.000 2.990 289 T HA -0.025 4.301 4.350 -0.041 0.000 0.249 289 T C 0.684 175.411 174.700 0.045 0.000 1.039 289 T CA -0.132 62.047 62.100 0.131 0.000 1.036 289 T CB 0.062 69.013 68.868 0.140 0.000 0.994 289 T HN 0.432 nan 8.240 nan 0.000 0.489 290 N N 3.087 121.816 118.700 0.049 0.000 2.431 290 N HA 0.008 4.723 4.740 -0.041 0.000 0.265 290 N C 1.647 177.095 175.510 -0.104 0.000 1.184 290 N CA 0.016 53.077 53.050 0.019 0.000 0.943 290 N CB 1.481 40.058 38.487 0.150 0.000 1.080 290 N HN 0.132 nan 8.380 nan 0.000 0.477 291 V N 3.186 122.953 119.914 -0.246 0.000 2.392 291 V HA -0.199 3.897 4.120 -0.041 0.000 0.249 291 V C 1.952 177.837 176.094 -0.347 0.000 1.059 291 V CA 1.402 63.465 62.300 -0.395 0.000 1.051 291 V CB -0.477 31.045 31.823 -0.500 0.000 0.658 291 V HN 0.548 nan 8.190 nan 0.000 0.455 292 K N -0.285 119.895 120.400 -0.367 0.000 2.155 292 K HA 0.011 4.307 4.320 -0.041 0.000 0.203 292 K C 1.990 178.464 176.600 -0.211 0.000 1.052 292 K CA 1.612 57.764 56.287 -0.225 0.000 0.948 292 K CB -0.356 32.022 32.500 -0.203 0.000 0.728 292 K HN 0.563 nan 8.250 nan 0.000 0.448 293 F N 1.873 121.571 119.950 -0.421 0.000 2.113 293 F HA -0.127 4.377 4.527 -0.039 0.000 0.297 293 F C 1.690 177.313 175.800 -0.296 0.000 1.103 293 F CA 1.233 58.942 58.000 -0.486 0.000 1.248 293 F CB -0.192 38.446 39.000 -0.604 0.000 0.999 293 F HN -0.136 nan 8.300 nan 0.000 0.475 294 L N 0.079 121.127 121.223 -0.291 0.000 2.083 294 L HA -0.188 4.128 4.340 -0.041 0.000 0.209 294 L C 2.789 179.474 176.870 -0.309 0.000 1.083 294 L CA 1.148 55.795 54.840 -0.321 0.000 0.752 294 L CB -1.140 40.775 42.059 -0.241 0.000 0.899 294 L HN 0.280 nan 8.230 nan 0.000 0.433 295 A N -0.099 122.592 122.820 -0.215 0.000 1.969 295 A HA -0.148 4.148 4.320 -0.041 0.000 0.218 295 A C 2.161 179.587 177.584 -0.263 0.000 1.169 295 A CA 1.219 53.172 52.037 -0.139 0.000 0.635 295 A CB -0.365 18.671 19.000 0.061 0.000 0.810 295 A HN 0.282 nan 8.150 nan 0.000 0.445 296 I N -0.369 119.965 120.570 -0.393 0.000 2.333 296 I HA -0.118 4.028 4.170 -0.041 0.000 0.246 296 I C 2.391 178.173 176.117 -0.559 0.000 1.106 296 I CA 1.730 62.683 61.300 -0.578 0.000 1.411 296 I CB -1.772 35.896 38.000 -0.552 0.000 1.082 296 I HN 0.225 nan 8.210 nan 0.000 0.420 297 T N 0.640 114.844 114.554 -0.582 0.000 2.788 297 T HA -0.127 4.199 4.350 -0.041 0.000 0.268 297 T C 1.851 176.365 174.700 -0.309 0.000 1.044 297 T CA 1.799 63.602 62.100 -0.495 0.000 1.139 297 T CB -0.263 68.196 68.868 -0.682 0.000 0.867 297 T HN 0.315 nan 8.240 nan 0.000 0.454 298 T N 1.240 115.622 114.554 -0.287 0.000 2.942 298 T HA -0.059 4.267 4.350 -0.041 0.000 0.265 298 T C 1.730 176.314 174.700 -0.193 0.000 1.062 298 T CA 1.011 62.990 62.100 -0.202 0.000 1.139 298 T CB -0.301 68.461 68.868 -0.175 0.000 0.883 298 T HN 0.312 nan 8.240 nan 0.000 0.468 299 D N 0.243 120.505 120.400 -0.231 0.000 2.183 299 D HA -0.044 4.572 4.640 -0.041 0.000 0.203 299 D C 2.051 178.301 176.300 -0.084 0.000 0.969 299 D CA 0.477 54.375 54.000 -0.171 0.000 0.842 299 D CB -0.351 40.362 40.800 -0.144 0.000 0.957 299 D HN 0.316 nan 8.370 nan 0.000 0.484 300 C N -0.143 119.094 119.300 -0.105 0.000 2.429 300 C HA -0.023 4.412 4.460 -0.041 0.000 0.277 300 C C 2.787 177.748 174.990 -0.047 0.000 1.262 300 C CA 0.244 59.243 59.018 -0.031 0.000 1.733 300 C CB -1.074 26.626 27.740 -0.066 0.000 2.010 300 C HN 0.416 nan 8.230 nan 0.000 0.483 301 L N 0.292 121.468 121.223 -0.078 0.000 2.093 301 L HA -0.180 4.136 4.340 -0.041 0.000 0.208 301 L C 2.909 179.751 176.870 -0.047 0.000 1.085 301 L CA 1.284 56.088 54.840 -0.060 0.000 0.755 301 L CB -0.789 41.228 42.059 -0.071 0.000 0.904 301 L HN 0.409 nan 8.230 nan 0.000 0.435 302 Q N 0.883 120.642 119.800 -0.068 0.000 2.020 302 Q HA -0.199 4.116 4.340 -0.041 0.000 0.202 302 Q C 2.271 178.262 176.000 -0.015 0.000 0.982 302 Q CA 1.859 57.626 55.803 -0.061 0.000 0.838 302 Q CB -0.179 28.481 28.738 -0.130 0.000 0.899 302 Q HN 0.530 nan 8.270 nan 0.000 0.423 303 I N 0.658 121.209 120.570 -0.031 0.000 2.208 303 I HA -0.319 3.826 4.170 -0.041 0.000 0.245 303 I C 2.384 178.515 176.117 0.022 0.000 1.097 303 I CA 0.934 62.225 61.300 -0.016 0.000 1.363 303 I CB -0.262 37.712 38.000 -0.044 0.000 1.051 303 I HN 0.148 nan 8.210 nan 0.000 0.413 304 L N 0.165 121.392 121.223 0.007 0.000 2.109 304 L HA -0.092 4.223 4.340 -0.041 0.000 0.207 304 L C 2.746 179.623 176.870 0.012 0.000 1.086 304 L CA 1.132 55.977 54.840 0.007 0.000 0.760 304 L CB -0.585 41.472 42.059 -0.003 0.000 0.910 304 L HN 0.203 nan 8.230 nan 0.000 0.437 305 A N -0.929 121.899 122.820 0.014 0.000 1.968 305 A HA -0.194 4.102 4.320 -0.041 0.000 0.217 305 A C 0.973 178.561 177.584 0.006 0.000 1.169 305 A CA 0.177 52.216 52.037 0.004 0.000 0.638 305 A CB -0.641 18.358 19.000 -0.002 0.000 0.812 305 A HN 0.334 nan 8.150 nan 0.000 0.446 306 Y N 1.500 121.765 120.300 -0.059 0.000 2.815 306 Y HA 0.256 4.797 4.550 -0.015 0.000 0.346 306 Y C 1.422 177.290 175.900 -0.052 0.000 1.267 306 Y CA 0.575 58.639 58.100 -0.061 0.000 1.604 306 Y CB -0.385 38.033 38.460 -0.070 0.000 1.218 306 Y HN 0.564 nan 8.280 nan 0.000 0.527 307 G N 4.229 112.614 108.800 -0.690 0.000 2.175 307 G HA2 -0.354 3.582 3.960 -0.041 0.000 0.265 307 G HA3 -0.354 3.582 3.960 -0.041 0.000 0.265 307 G C 0.083 174.831 174.900 -0.253 0.000 0.979 307 G CA 0.316 45.089 45.100 -0.545 0.000 0.663 307 G HN 0.787 nan 8.290 nan 0.000 0.533 308 N N 0.161 118.761 118.700 -0.167 0.000 2.518 308 N HA 0.318 5.034 4.740 -0.041 0.000 0.254 308 N C 1.350 176.814 175.510 -0.075 0.000 0.979 308 N CA -0.256 52.737 53.050 -0.096 0.000 0.930 308 N CB 0.820 39.271 38.487 -0.059 0.000 1.152 308 N HN 0.419 nan 8.380 nan 0.000 0.505 309 Q N 1.793 121.552 119.800 -0.069 0.000 2.061 309 Q HA -0.199 4.116 4.340 -0.041 0.000 0.204 309 Q C 0.721 176.699 176.000 -0.037 0.000 0.984 309 Q CA 1.858 57.629 55.803 -0.053 0.000 0.846 309 Q CB 0.209 28.918 28.738 -0.048 0.000 0.902 309 Q HN 0.609 nan 8.270 nan 0.000 0.421 310 E N 0.457 120.638 120.200 -0.031 0.000 2.085 310 E HA -0.179 4.146 4.350 -0.041 0.000 0.194 310 E C 2.120 178.709 176.600 -0.018 0.000 0.994 310 E CA 1.653 58.040 56.400 -0.021 0.000 0.801 310 E CB -0.198 29.492 29.700 -0.017 0.000 0.743 310 E HN 0.374 nan 8.360 nan 0.000 0.453 311 S N 0.405 116.093 115.700 -0.021 0.000 2.423 311 S HA -0.085 4.361 4.470 -0.041 0.000 0.231 311 S C 1.701 176.291 174.600 -0.017 0.000 1.014 311 S CA 0.775 58.965 58.200 -0.016 0.000 0.965 311 S CB -0.067 63.124 63.200 -0.014 0.000 0.785 311 S HN 0.098 nan 8.310 nan 0.000 0.495 312 K N 0.971 121.357 120.400 -0.024 0.000 2.103 312 K HA 0.202 4.498 4.320 -0.041 0.000 0.204 312 K C 1.979 178.569 176.600 -0.017 0.000 1.052 312 K CA 1.042 57.316 56.287 -0.023 0.000 0.945 312 K CB -0.368 32.114 32.500 -0.031 0.000 0.722 312 K HN 0.343 nan 8.250 nan 0.000 0.443 313 L N 0.726 121.939 121.223 -0.016 0.000 2.156 313 L HA -0.123 4.192 4.340 -0.041 0.000 0.208 313 L C 2.210 179.076 176.870 -0.007 0.000 1.095 313 L CA 0.931 55.764 54.840 -0.012 0.000 0.770 313 L CB -0.291 41.760 42.059 -0.012 0.000 0.914 313 L HN 0.146 nan 8.230 nan 0.000 0.439 314 I N -0.240 120.326 120.570 -0.007 0.000 2.252 314 I HA -0.292 3.854 4.170 -0.041 0.000 0.245 314 I C 2.389 178.505 176.117 -0.002 0.000 1.102 314 I CA 1.397 62.695 61.300 -0.003 0.000 1.385 314 I CB -0.168 37.831 38.000 -0.002 0.000 1.064 314 I HN 0.148 nan 8.210 nan 0.000 0.414 315 I N 0.218 120.785 120.570 -0.005 0.000 2.208 315 I HA -0.309 3.836 4.170 -0.041 0.000 0.245 315 I C 2.504 178.620 176.117 -0.001 0.000 1.097 315 I CA 1.227 62.524 61.300 -0.005 0.000 1.363 315 I CB -0.274 37.720 38.000 -0.010 0.000 1.051 315 I HN 0.257 nan 8.210 nan 0.000 0.413 316 L N 1.293 122.514 121.223 -0.003 0.000 2.005 316 L HA -0.112 4.203 4.340 -0.041 0.000 0.207 316 L C 2.542 179.414 176.870 0.002 0.000 1.072 316 L CA 2.223 57.063 54.840 -0.000 0.000 0.744 316 L CB -0.937 41.120 42.059 -0.003 0.000 0.895 316 L HN 0.172 nan 8.230 nan 0.000 0.433 317 A N -1.013 121.808 122.820 0.001 0.000 2.076 317 A HA -0.154 4.142 4.320 -0.041 0.000 0.220 317 A C 2.053 179.641 177.584 0.006 0.000 1.160 317 A CA 1.635 53.674 52.037 0.003 0.000 0.653 317 A CB -0.964 18.038 19.000 0.002 0.000 0.801 317 A HN 0.673 nan 8.150 nan 0.000 0.455 318 S N -2.072 113.632 115.700 0.007 0.000 2.573 318 S HA 0.444 4.889 4.470 -0.041 0.000 0.244 318 S C 1.066 175.673 174.600 0.013 0.000 0.984 318 S CA 0.686 58.892 58.200 0.010 0.000 1.001 318 S CB -0.379 62.827 63.200 0.011 0.000 0.788 318 S HN 1.862 nan 8.310 nan 0.000 0.456 319 G N 0.468 109.275 108.800 0.012 0.000 2.147 319 G HA2 -0.230 3.706 3.960 -0.041 0.000 0.244 319 G HA3 -0.230 3.706 3.960 -0.041 0.000 0.244 319 G C 0.929 175.838 174.900 0.015 0.000 1.005 319 G CA 0.134 45.243 45.100 0.015 0.000 0.713 319 G HN 0.913 nan 8.290 nan 0.000 0.515 320 G N 1.001 109.807 108.800 0.011 0.000 2.545 320 G HA2 -0.051 3.884 3.960 -0.041 0.000 0.217 320 G HA3 -0.051 3.884 3.960 -0.041 0.000 0.217 320 G C 0.158 175.065 174.900 0.011 0.000 1.218 320 G CA 1.794 46.899 45.100 0.008 0.000 0.787 320 G HN 0.523 nan 8.290 nan 0.000 0.571 321 P HA -0.183 nan 4.420 nan 0.000 0.216 321 P C 1.880 179.193 177.300 0.021 0.000 1.157 321 P CA 1.919 65.028 63.100 0.014 0.000 0.880 321 P CB -0.026 31.682 31.700 0.012 0.000 0.791 322 Q N -0.553 119.260 119.800 0.022 0.000 2.084 322 Q HA -0.112 4.203 4.340 -0.041 0.000 0.202 322 Q C 2.065 178.086 176.000 0.036 0.000 0.978 322 Q CA 2.067 57.886 55.803 0.027 0.000 0.844 322 Q CB -1.272 27.480 28.738 0.023 0.000 0.898 322 Q HN 0.122 nan 8.270 nan 0.000 0.426 323 A N -0.378 122.463 122.820 0.036 0.000 1.969 323 A HA -0.080 4.215 4.320 -0.041 0.000 0.218 323 A C 2.011 179.629 177.584 0.056 0.000 1.169 323 A CA 1.173 53.239 52.037 0.048 0.000 0.635 323 A CB -0.534 18.491 19.000 0.041 0.000 0.810 323 A HN 0.429 nan 8.150 nan 0.000 0.445 324 L N -0.933 120.314 121.223 0.040 0.000 2.131 324 L HA -0.076 4.239 4.340 -0.041 0.000 0.206 324 L C 2.424 179.326 176.870 0.054 0.000 1.087 324 L CA 0.596 55.459 54.840 0.038 0.000 0.767 324 L CB -0.383 41.685 42.059 0.015 0.000 0.917 324 L HN 0.206 nan 8.230 nan 0.000 0.441 325 V N 0.195 120.139 119.914 0.051 0.000 2.427 325 V HA -0.268 3.828 4.120 -0.041 0.000 0.248 325 V C 2.011 178.147 176.094 0.069 0.000 1.051 325 V CA 1.932 64.266 62.300 0.057 0.000 1.048 325 V CB -0.752 31.097 31.823 0.043 0.000 0.666 325 V HN 0.501 nan 8.190 nan 0.000 0.456 326 N N 0.001 118.742 118.700 0.068 0.000 2.104 326 N HA -0.147 4.569 4.740 -0.041 0.000 0.190 326 N C 1.846 177.418 175.510 0.105 0.000 1.024 326 N CA 1.410 54.502 53.050 0.070 0.000 0.853 326 N CB -0.184 38.346 38.487 0.072 0.000 1.008 326 N HN 0.407 nan 8.380 nan 0.000 0.424 327 I N 0.805 121.474 120.570 0.166 0.000 2.226 327 I HA -0.255 3.890 4.170 -0.041 0.000 0.245 327 I C 2.070 178.336 176.117 0.249 0.000 1.100 327 I CA 0.840 62.316 61.300 0.293 0.000 1.374 327 I CB -0.112 38.022 38.000 0.224 0.000 1.057 327 I HN 0.214 nan 8.210 nan 0.000 0.413 328 M N 0.597 120.297 119.600 0.166 0.000 2.159 328 M HA -0.150 4.305 4.480 -0.041 0.000 0.263 328 M C 1.828 178.312 176.300 0.306 0.000 1.063 328 M CA 1.577 57.000 55.300 0.204 0.000 1.110 328 M CB -1.122 31.581 32.600 0.172 0.000 1.374 328 M HN 0.341 nan 8.290 nan 0.000 0.411 329 R N -0.826 119.768 120.500 0.156 0.000 2.568 329 R HA 0.255 4.571 4.340 -0.041 0.000 0.288 329 R C 0.326 176.625 176.300 -0.002 0.000 1.077 329 R CA 0.237 56.384 56.100 0.078 0.000 1.102 329 R CB -0.226 30.096 30.300 0.037 0.000 1.278 329 R HN 0.102 nan 8.270 nan 0.000 0.560 330 T N -1.276 113.259 114.554 -0.031 0.000 3.507 330 T HA 0.144 4.470 4.350 -0.041 0.000 0.280 330 T C -0.450 174.063 174.700 -0.312 0.000 0.976 330 T CA 0.050 61.994 62.100 -0.259 0.000 1.096 330 T CB -0.118 68.440 68.868 -0.517 0.000 1.168 330 T HN 0.125 nan 8.240 nan 0.000 0.463 331 Y N 1.499 121.860 120.300 0.102 0.000 2.307 331 Y HA 0.430 4.956 4.550 -0.041 0.000 0.324 331 Y C 1.686 177.672 175.900 0.142 0.000 1.238 331 Y CA -0.364 57.803 58.100 0.113 0.000 1.280 331 Y CB 0.834 39.362 38.460 0.113 0.000 1.248 331 Y HN -0.026 nan 8.280 nan 0.000 0.508 332 T N 0.070 114.810 114.554 0.310 0.000 3.015 332 T HA -0.052 4.274 4.350 -0.041 0.000 0.250 332 T C -0.218 174.632 174.700 0.250 0.000 1.057 332 T CA -0.054 62.188 62.100 0.236 0.000 1.066 332 T CB -0.255 68.716 68.868 0.173 0.000 0.959 332 T HN 0.439 nan 8.240 nan 0.000 0.488 333 Y N 4.299 124.680 120.300 0.136 0.000 2.770 333 Y HA -0.013 4.512 4.550 -0.041 0.000 0.342 333 Y C 1.712 177.656 175.900 0.074 0.000 1.221 333 Y CA -0.994 57.157 58.100 0.084 0.000 1.560 333 Y CB 0.168 38.663 38.460 0.057 0.000 1.213 333 Y HN 0.061 nan 8.280 nan 0.000 0.525 334 E N 4.697 124.788 120.200 -0.181 0.000 2.070 334 E HA -0.275 4.051 4.350 -0.041 0.000 0.197 334 E C 1.390 177.869 176.600 -0.201 0.000 1.004 334 E CA 1.878 58.174 56.400 -0.174 0.000 0.805 334 E CB 0.170 29.767 29.700 -0.172 0.000 0.744 334 E HN 0.808 nan 8.360 nan 0.000 0.451 335 K N 0.092 120.187 120.400 -0.508 0.000 2.209 335 K HA -0.166 4.130 4.320 -0.041 0.000 0.204 335 K C 2.149 178.745 176.600 -0.005 0.000 1.048 335 K CA 0.874 57.029 56.287 -0.220 0.000 0.940 335 K CB -0.122 32.155 32.500 -0.372 0.000 0.729 335 K HN 0.089 nan 8.250 nan 0.000 0.451 336 L N 0.921 122.138 121.223 -0.011 0.000 2.068 336 L HA -0.039 4.277 4.340 -0.041 0.000 0.204 336 L C 1.749 178.640 176.870 0.034 0.000 1.076 336 L CA 1.376 56.271 54.840 0.091 0.000 0.753 336 L CB -0.370 41.809 42.059 0.199 0.000 0.910 336 L HN 0.058 nan 8.230 nan 0.000 0.439 337 L N -1.617 119.628 121.223 0.037 0.000 2.042 337 L HA -0.238 4.078 4.340 -0.041 0.000 0.210 337 L C 2.437 179.306 176.870 -0.001 0.000 1.076 337 L CA 1.796 56.616 54.840 -0.034 0.000 0.749 337 L CB -0.884 41.100 42.059 -0.124 0.000 0.893 337 L HN 0.542 nan 8.230 nan 0.000 0.432 338 W N 1.006 122.232 121.300 -0.124 0.000 2.379 338 W HA -0.168 4.470 4.660 -0.036 0.000 0.307 338 W C 2.458 178.940 176.519 -0.061 0.000 1.200 338 W CA 1.924 59.215 57.345 -0.091 0.000 1.297 338 W CB -0.570 28.834 29.460 -0.093 0.000 1.140 338 W HN -0.070 nan 8.180 nan 0.000 0.507 339 T N 0.071 114.462 114.554 -0.273 0.000 2.821 339 T HA -0.171 4.154 4.350 -0.041 0.000 0.267 339 T C 1.603 176.131 174.700 -0.286 0.000 1.046 339 T CA 2.192 64.011 62.100 -0.469 0.000 1.139 339 T CB -0.697 67.994 68.868 -0.296 0.000 0.871 339 T HN 0.139 nan 8.240 nan 0.000 0.454 340 T N 2.195 116.655 114.554 -0.158 0.000 2.821 340 T HA -0.099 4.227 4.350 -0.041 0.000 0.267 340 T C 2.462 177.107 174.700 -0.091 0.000 1.046 340 T CA 1.465 63.504 62.100 -0.102 0.000 1.139 340 T CB -0.381 68.459 68.868 -0.046 0.000 0.871 340 T HN 0.607 nan 8.240 nan 0.000 0.454 341 S N 1.757 117.401 115.700 -0.094 0.000 2.423 341 S HA -0.036 4.410 4.470 -0.041 0.000 0.231 341 S C 2.020 176.587 174.600 -0.056 0.000 1.014 341 S CA 0.466 58.639 58.200 -0.045 0.000 0.965 341 S CB -0.311 62.888 63.200 -0.000 0.000 0.785 341 S HN 0.436 nan 8.310 nan 0.000 0.495 342 R N 0.593 120.994 120.500 -0.166 0.000 2.090 342 R HA 0.077 4.392 4.340 -0.041 0.000 0.228 342 R C 2.231 178.466 176.300 -0.108 0.000 1.110 342 R CA 1.268 57.264 56.100 -0.174 0.000 0.973 342 R CB -0.617 29.456 30.300 -0.378 0.000 0.869 342 R HN 0.353 nan 8.270 nan 0.000 0.440 343 V N 1.434 121.279 119.914 -0.114 0.000 2.358 343 V HA -0.192 3.904 4.120 -0.041 0.000 0.246 343 V C 2.264 178.339 176.094 -0.032 0.000 1.047 343 V CA 1.499 63.758 62.300 -0.070 0.000 1.035 343 V CB -0.382 31.395 31.823 -0.076 0.000 0.658 343 V HN 0.275 nan 8.190 nan 0.000 0.452 344 L N -0.087 121.121 121.223 -0.025 0.000 2.131 344 L HA -0.195 4.121 4.340 -0.041 0.000 0.210 344 L C 2.579 179.461 176.870 0.019 0.000 1.092 344 L CA 1.711 56.553 54.840 0.002 0.000 0.759 344 L CB -0.524 41.543 42.059 0.012 0.000 0.903 344 L HN 0.334 nan 8.230 nan 0.000 0.435 345 K N -0.006 120.409 120.400 0.025 0.000 2.057 345 K HA -0.135 4.161 4.320 -0.041 0.000 0.206 345 K C 1.983 178.600 176.600 0.028 0.000 1.050 345 K CA 1.162 57.479 56.287 0.050 0.000 0.935 345 K CB 0.118 32.664 32.500 0.078 0.000 0.715 345 K HN 0.075 nan 8.250 nan 0.000 0.439 346 V N 1.650 121.575 119.914 0.019 0.000 2.358 346 V HA -0.212 3.883 4.120 -0.041 0.000 0.246 346 V C 2.211 178.303 176.094 -0.002 0.000 1.047 346 V CA 1.432 63.746 62.300 0.024 0.000 1.035 346 V CB -0.282 31.568 31.823 0.046 0.000 0.658 346 V HN 0.318 nan 8.190 nan 0.000 0.452 347 L N 0.809 122.030 121.223 -0.002 0.000 2.217 347 L HA -0.094 4.221 4.340 -0.041 0.000 0.211 347 L C 2.582 179.450 176.870 -0.003 0.000 1.107 347 L CA 1.480 56.316 54.840 -0.007 0.000 0.783 347 L CB -0.659 41.398 42.059 -0.004 0.000 0.919 347 L HN 0.532 nan 8.230 nan 0.000 0.442 348 S N -0.312 115.392 115.700 0.007 0.000 2.507 348 S HA -0.096 4.350 4.470 -0.041 0.000 0.235 348 S C 1.695 176.298 174.600 0.005 0.000 0.988 348 S CA 0.876 59.084 58.200 0.013 0.000 0.944 348 S CB -0.633 62.586 63.200 0.031 0.000 0.762 348 S HN 0.375 nan 8.310 nan 0.000 0.526 349 V N -1.239 118.670 119.914 -0.009 0.000 3.506 349 V HA 0.309 4.404 4.120 -0.041 0.000 0.263 349 V C 1.153 177.231 176.094 -0.026 0.000 1.203 349 V CA -0.232 62.056 62.300 -0.020 0.000 1.133 349 V CB -1.344 30.458 31.823 -0.036 0.000 0.802 349 V HN 0.665 nan 8.190 nan 0.000 0.459 350 C N 2.875 122.160 119.300 -0.024 0.000 2.499 350 C HA 0.529 4.965 4.460 -0.041 0.000 0.386 350 C C 2.401 177.382 174.990 -0.016 0.000 1.293 350 C CA 0.356 59.359 59.018 -0.025 0.000 1.884 350 C CB 0.253 27.978 27.740 -0.025 0.000 2.509 350 C HN 0.744 nan 8.230 nan 0.000 0.566 351 S N 3.549 119.239 115.700 -0.016 0.000 2.465 351 S HA -0.149 4.297 4.470 -0.041 0.000 0.241 351 S C 1.481 176.077 174.600 -0.008 0.000 1.000 351 S CA 1.585 59.779 58.200 -0.011 0.000 0.964 351 S CB -0.393 62.800 63.200 -0.012 0.000 0.763 351 S HN 1.144 nan 8.310 nan 0.000 0.512 352 S N 1.068 116.763 115.700 -0.009 0.000 2.499 352 S HA 0.193 4.638 4.470 -0.041 0.000 0.225 352 S C 1.676 176.274 174.600 -0.004 0.000 1.050 352 S CA -0.124 58.073 58.200 -0.006 0.000 0.928 352 S CB -0.582 62.614 63.200 -0.007 0.000 0.803 352 S HN 0.472 nan 8.310 nan 0.000 0.506 353 N N 1.930 120.627 118.700 -0.005 0.000 2.270 353 N HA -0.033 4.683 4.740 -0.041 0.000 0.181 353 N C 1.734 177.245 175.510 0.002 0.000 1.016 353 N CA 0.823 53.872 53.050 -0.002 0.000 0.870 353 N CB -0.164 38.320 38.487 -0.005 0.000 0.979 353 N HN 0.524 nan 8.380 nan 0.000 0.431 354 K N 1.511 121.912 120.400 0.002 0.000 1.987 354 K HA -0.116 4.180 4.320 -0.041 0.000 0.216 354 K C -0.957 175.647 176.600 0.008 0.000 1.051 354 K CA 1.407 57.698 56.287 0.006 0.000 0.942 354 K CB -0.806 31.698 32.500 0.005 0.000 0.722 354 K HN 0.115 nan 8.250 nan 0.000 0.444 355 P HA -0.064 nan 4.420 nan 0.000 0.230 355 P C 0.614 177.917 177.300 0.006 0.000 1.158 355 P CA 1.237 64.340 63.100 0.005 0.000 0.769 355 P CB 0.109 31.811 31.700 0.004 0.000 0.807 356 A N -0.120 122.704 122.820 0.006 0.000 1.975 356 A HA 0.009 4.304 4.320 -0.041 0.000 0.215 356 A C 2.196 179.786 177.584 0.010 0.000 1.170 356 A CA 0.608 52.649 52.037 0.007 0.000 0.656 356 A CB -1.158 17.845 19.000 0.006 0.000 0.821 356 A HN 0.102 nan 8.150 nan 0.000 0.449 357 I N -0.505 120.072 120.570 0.012 0.000 2.439 357 I HA -0.149 3.997 4.170 -0.041 0.000 0.251 357 I C 2.216 178.344 176.117 0.017 0.000 1.139 357 I CA 0.642 61.952 61.300 0.016 0.000 1.438 357 I CB -0.196 37.815 38.000 0.019 0.000 1.085 357 I HN 0.115 nan 8.210 nan 0.000 0.427 358 V N 0.525 120.447 119.914 0.014 0.000 2.261 358 V HA -0.225 3.871 4.120 -0.041 0.000 0.246 358 V C 2.376 178.475 176.094 0.010 0.000 1.047 358 V CA 1.692 64.000 62.300 0.012 0.000 1.015 358 V CB -0.549 31.280 31.823 0.010 0.000 0.642 358 V HN 0.368 nan 8.190 nan 0.000 0.446 359 E N 0.126 120.331 120.200 0.008 0.000 2.409 359 E HA -0.030 4.296 4.350 -0.041 0.000 0.198 359 E C 1.994 178.600 176.600 0.009 0.000 1.024 359 E CA 1.019 57.423 56.400 0.007 0.000 0.861 359 E CB -0.240 29.464 29.700 0.006 0.000 0.788 359 E HN 0.583 nan 8.360 nan 0.000 0.521 360 A N -0.209 122.618 122.820 0.012 0.000 2.251 360 A HA 0.318 4.613 4.320 -0.041 0.000 0.209 360 A C 1.526 179.120 177.584 0.016 0.000 1.187 360 A CA 0.824 52.870 52.037 0.015 0.000 0.823 360 A CB -0.067 18.944 19.000 0.018 0.000 0.846 360 A HN 0.208 nan 8.150 nan 0.000 0.486 361 G N -1.795 107.013 108.800 0.014 0.000 2.142 361 G HA2 -0.129 3.806 3.960 -0.041 0.000 0.225 361 G HA3 -0.129 3.806 3.960 -0.041 0.000 0.225 361 G C 1.098 176.011 174.900 0.022 0.000 1.015 361 G CA 0.465 45.574 45.100 0.014 0.000 0.716 361 G HN 1.181 nan 8.290 nan 0.000 0.508 362 G N -0.212 108.603 108.800 0.025 0.000 2.432 362 G HA2 -0.019 3.916 3.960 -0.041 0.000 0.219 362 G HA3 -0.019 3.916 3.960 -0.041 0.000 0.219 362 G C 1.829 176.752 174.900 0.037 0.000 1.135 362 G CA 1.617 46.737 45.100 0.034 0.000 0.767 362 G HN 0.437 nan 8.290 nan 0.000 0.550 363 M N 0.164 119.780 119.600 0.027 0.000 2.099 363 M HA -0.039 4.417 4.480 -0.041 0.000 0.262 363 M C 2.608 178.922 176.300 0.024 0.000 1.067 363 M CA 1.246 56.562 55.300 0.026 0.000 1.124 363 M CB -1.134 31.476 32.600 0.015 0.000 1.353 363 M HN 0.206 nan 8.290 nan 0.000 0.410 364 Q N 0.096 119.906 119.800 0.016 0.000 2.123 364 Q HA 0.065 4.380 4.340 -0.041 0.000 0.199 364 Q C 2.229 178.238 176.000 0.014 0.000 0.966 364 Q CA 1.790 57.597 55.803 0.008 0.000 0.845 364 Q CB -0.558 28.180 28.738 -0.000 0.000 0.907 364 Q HN 0.574 nan 8.270 nan 0.000 0.439 365 A N 0.180 123.021 122.820 0.034 0.000 1.930 365 A HA -0.082 4.213 4.320 -0.041 0.000 0.217 365 A C 1.945 179.604 177.584 0.124 0.000 1.175 365 A CA 0.964 53.039 52.037 0.063 0.000 0.627 365 A CB -0.492 18.552 19.000 0.073 0.000 0.815 365 A HN 0.328 nan 8.150 nan 0.000 0.443 366 L N -0.798 120.492 121.223 0.113 0.000 2.240 366 L HA -0.003 4.312 4.340 -0.041 0.000 0.211 366 L C 2.663 179.603 176.870 0.118 0.000 1.106 366 L CA 0.700 55.629 54.840 0.149 0.000 0.793 366 L CB -0.420 41.696 42.059 0.095 0.000 0.927 366 L HN 0.466 nan 8.230 nan 0.000 0.446 367 G N 0.007 108.839 108.800 0.054 0.000 2.470 367 G HA2 -0.176 3.760 3.960 -0.041 0.000 0.220 367 G HA3 -0.176 3.760 3.960 -0.041 0.000 0.220 367 G C 1.547 176.432 174.900 -0.026 0.000 1.121 367 G CA 0.297 45.406 45.100 0.015 0.000 0.766 367 G HN 0.267 nan 8.290 nan 0.000 0.553 368 L N -0.170 121.005 121.223 -0.080 0.000 2.362 368 L HA 0.024 4.340 4.340 -0.041 0.000 0.219 368 L C 1.941 178.575 176.870 -0.393 0.000 1.134 368 L CA 0.656 55.346 54.840 -0.250 0.000 0.807 368 L CB -0.275 41.567 42.059 -0.362 0.000 0.927 368 L HN 0.303 nan 8.230 nan 0.000 0.447 369 H N -0.766 118.310 119.070 0.011 0.000 2.652 369 H HA 0.200 4.732 4.556 -0.041 0.000 0.274 369 H C 1.909 177.236 175.328 -0.002 0.000 1.021 369 H CA 0.043 56.098 56.048 0.011 0.000 1.187 369 H CB 0.611 30.389 29.762 0.025 0.000 1.505 369 H HN 0.322 nan 8.280 nan 0.000 0.530 370 L N 0.367 121.624 121.223 0.056 0.000 2.622 370 L HA -0.026 4.290 4.340 -0.041 0.000 0.233 370 L C 1.047 177.918 176.870 0.002 0.000 1.156 370 L CA 0.890 55.743 54.840 0.022 0.000 0.866 370 L CB -0.055 42.006 42.059 0.003 0.000 0.980 370 L HN 0.059 nan 8.230 nan 0.000 0.448 371 T N -2.720 111.835 114.554 0.002 0.000 3.085 371 T HA 0.071 4.397 4.350 -0.041 0.000 0.264 371 T C 0.143 174.845 174.700 0.003 0.000 1.019 371 T CA -0.321 61.774 62.100 -0.007 0.000 0.910 371 T CB 0.077 68.934 68.868 -0.019 0.000 1.059 371 T HN 0.146 nan 8.240 nan 0.000 0.542 372 D N 1.643 122.059 120.400 0.026 0.000 2.345 372 D HA 0.192 4.807 4.640 -0.041 0.000 0.247 372 D C -1.365 174.938 176.300 0.005 0.000 1.108 372 D CA -1.798 52.224 54.000 0.036 0.000 0.894 372 D CB 1.416 42.271 40.800 0.091 0.000 1.203 372 D HN -0.108 nan 8.370 nan 0.000 0.430 373 P HA -0.100 nan 4.420 nan 0.000 0.216 373 P C -0.376 176.899 177.300 -0.042 0.000 1.153 373 P CA 0.861 63.948 63.100 -0.022 0.000 0.858 373 P CB 0.028 31.716 31.700 -0.020 0.000 0.789 374 S N 0.255 115.924 115.700 -0.051 0.000 2.455 374 S HA 0.100 4.545 4.470 -0.041 0.000 0.278 374 S C 1.123 175.674 174.600 -0.083 0.000 1.216 374 S CA -0.561 57.586 58.200 -0.088 0.000 1.055 374 S CB 0.744 63.868 63.200 -0.127 0.000 0.939 374 S HN -0.003 nan 8.310 nan 0.000 0.494 375 Q N 2.959 122.702 119.800 -0.095 0.000 2.291 375 Q HA -0.134 4.182 4.340 -0.041 0.000 0.205 375 Q C 2.300 178.236 176.000 -0.106 0.000 0.970 375 Q CA 1.401 57.147 55.803 -0.095 0.000 0.876 375 Q CB -0.330 28.353 28.738 -0.092 0.000 0.935 375 Q HN 0.991 nan 8.270 nan 0.000 0.455 376 R N -0.214 120.213 120.500 -0.123 0.000 2.115 376 R HA -0.071 4.245 4.340 -0.041 0.000 0.230 376 R C 2.076 178.417 176.300 0.069 0.000 1.111 376 R CA 0.946 56.999 56.100 -0.079 0.000 0.976 376 R CB -0.578 29.546 30.300 -0.294 0.000 0.870 376 R HN 0.124 nan 8.270 nan 0.000 0.445 377 L N 1.316 122.557 121.223 0.030 0.000 2.068 377 L HA -0.013 4.302 4.340 -0.041 0.000 0.204 377 L C 2.170 179.064 176.870 0.041 0.000 1.076 377 L CA 1.255 56.153 54.840 0.096 0.000 0.753 377 L CB -0.221 41.865 42.059 0.045 0.000 0.910 377 L HN 0.019 nan 8.230 nan 0.000 0.439 378 V N -0.284 119.624 119.914 -0.009 0.000 2.287 378 V HA -0.307 3.789 4.120 -0.041 0.000 0.248 378 V C 2.629 178.655 176.094 -0.114 0.000 1.053 378 V CA 1.923 64.201 62.300 -0.037 0.000 1.027 378 V CB -0.768 31.022 31.823 -0.056 0.000 0.646 378 V HN 0.535 nan 8.190 nan 0.000 0.447 379 Q N 0.417 120.095 119.800 -0.202 0.000 2.119 379 Q HA -0.135 4.181 4.340 -0.041 0.000 0.201 379 Q C 2.062 177.793 176.000 -0.449 0.000 0.972 379 Q CA 1.667 57.183 55.803 -0.480 0.000 0.847 379 Q CB -0.384 27.981 28.738 -0.621 0.000 0.903 379 Q HN 0.611 nan 8.270 nan 0.000 0.433 380 N N -1.017 117.648 118.700 -0.059 0.000 2.216 380 N HA -0.101 4.615 4.740 -0.041 0.000 0.183 380 N C 1.613 177.208 175.510 0.143 0.000 1.017 380 N CA 1.223 54.394 53.050 0.202 0.000 0.861 380 N CB -0.303 38.336 38.487 0.253 0.000 0.986 380 N HN 0.312 nan 8.380 nan 0.000 0.428 381 C N 0.816 120.153 119.300 0.062 0.000 2.440 381 C HA 0.035 4.471 4.460 -0.041 0.000 0.278 381 C C 2.837 177.859 174.990 0.053 0.000 1.295 381 C CA 0.140 59.196 59.018 0.065 0.000 1.738 381 C CB -1.143 26.638 27.740 0.068 0.000 1.987 381 C HN 0.400 nan 8.230 nan 0.000 0.492 382 L N -0.733 120.479 121.223 -0.019 0.000 2.056 382 L HA -0.146 4.169 4.340 -0.041 0.000 0.207 382 L C 2.722 179.633 176.870 0.068 0.000 1.078 382 L CA 1.457 56.273 54.840 -0.041 0.000 0.749 382 L CB -0.543 41.411 42.059 -0.174 0.000 0.901 382 L HN 0.493 nan 8.230 nan 0.000 0.433 383 W N 0.213 121.534 121.300 0.035 0.000 2.388 383 W HA -0.106 4.533 4.660 -0.034 0.000 0.294 383 W C 2.626 179.160 176.519 0.025 0.000 1.212 383 W CA 1.316 58.679 57.345 0.030 0.000 1.271 383 W CB -1.294 28.186 29.460 0.033 0.000 1.126 383 W HN 0.174 nan 8.180 nan 0.000 0.535 384 T N 1.107 115.812 114.554 0.252 0.000 2.770 384 T HA -0.121 4.204 4.350 -0.041 0.000 0.263 384 T C 2.133 176.898 174.700 0.108 0.000 1.039 384 T CA 1.103 63.292 62.100 0.147 0.000 1.142 384 T CB -0.650 68.285 68.868 0.111 0.000 0.868 384 T HN -0.018 nan 8.240 nan 0.000 0.435 385 L N 0.486 121.768 121.223 0.098 0.000 2.131 385 L HA -0.070 4.245 4.340 -0.041 0.000 0.210 385 L C 2.844 179.758 176.870 0.074 0.000 1.092 385 L CA 1.237 56.120 54.840 0.071 0.000 0.759 385 L CB -0.378 41.714 42.059 0.055 0.000 0.903 385 L HN 0.148 nan 8.230 nan 0.000 0.435 386 R N -0.083 120.478 120.500 0.102 0.000 2.073 386 R HA -0.117 4.198 4.340 -0.041 0.000 0.229 386 R C 2.095 178.447 176.300 0.087 0.000 1.120 386 R CA 1.243 57.405 56.100 0.103 0.000 0.967 386 R CB 0.006 30.394 30.300 0.147 0.000 0.862 386 R HN 0.394 nan 8.270 nan 0.000 0.436 387 N N 0.658 119.413 118.700 0.091 0.000 2.188 387 N HA -0.132 4.584 4.740 -0.041 0.000 0.184 387 N C 1.790 177.326 175.510 0.044 0.000 1.018 387 N CA 1.075 54.161 53.050 0.060 0.000 0.858 387 N CB -0.116 38.403 38.487 0.053 0.000 0.989 387 N HN 0.259 nan 8.380 nan 0.000 0.426 388 L N 1.121 122.373 121.223 0.047 0.000 2.217 388 L HA -0.063 4.253 4.340 -0.041 0.000 0.211 388 L C 2.364 179.252 176.870 0.030 0.000 1.107 388 L CA 0.689 55.550 54.840 0.035 0.000 0.783 388 L CB -0.543 41.537 42.059 0.036 0.000 0.919 388 L HN 0.188 nan 8.230 nan 0.000 0.442 389 S N 0.397 116.119 115.700 0.037 0.000 2.407 389 S HA -0.245 4.200 4.470 -0.041 0.000 0.235 389 S C 1.517 176.132 174.600 0.025 0.000 1.036 389 S CA 1.557 59.776 58.200 0.032 0.000 1.013 389 S CB -0.681 62.543 63.200 0.041 0.000 0.820 389 S HN 0.644 nan 8.310 nan 0.000 0.476 390 D N 1.565 121.981 120.400 0.026 0.000 2.363 390 D HA 0.224 4.839 4.640 -0.041 0.000 0.226 390 D C 1.130 177.436 176.300 0.011 0.000 1.020 390 D CA 0.776 54.788 54.000 0.019 0.000 0.892 390 D CB -0.196 40.617 40.800 0.022 0.000 0.900 390 D HN 0.623 nan 8.370 nan 0.000 0.531 391 A N -0.539 122.288 122.820 0.011 0.000 2.551 391 A HA 0.640 4.936 4.320 -0.041 0.000 0.252 391 A C 1.559 179.146 177.584 0.005 0.000 1.199 391 A CA 0.193 52.234 52.037 0.007 0.000 0.972 391 A CB 0.505 19.510 19.000 0.008 0.000 1.153 391 A HN 0.232 nan 8.150 nan 0.000 0.559 392 A N -0.594 122.229 122.820 0.005 0.000 2.500 392 A HA 0.349 4.645 4.320 -0.041 0.000 0.267 392 A C 1.446 179.025 177.584 -0.007 0.000 1.290 392 A CA 0.905 52.943 52.037 0.001 0.000 0.928 392 A CB -0.760 18.244 19.000 0.005 0.000 1.066 392 A HN 0.181 nan 8.150 nan 0.000 0.516 393 T N 0.606 115.154 114.554 -0.009 0.000 2.803 393 T HA -0.121 4.205 4.350 -0.041 0.000 0.269 393 T C 1.537 176.223 174.700 -0.023 0.000 1.052 393 T CA 1.601 63.690 62.100 -0.019 0.000 1.136 393 T CB -0.106 68.751 68.868 -0.019 0.000 0.864 393 T HN 0.515 nan 8.240 nan 0.000 0.467 394 K N 0.594 120.984 120.400 -0.017 0.000 2.372 394 K HA 0.198 4.494 4.320 -0.041 0.000 0.200 394 K C 0.538 177.124 176.600 -0.023 0.000 1.022 394 K CA -0.141 56.135 56.287 -0.018 0.000 1.125 394 K CB 0.435 32.931 32.500 -0.007 0.000 0.855 394 K HN 0.211 nan 8.250 nan 0.000 0.524 395 Q N 2.414 122.200 119.800 -0.023 0.000 2.296 395 Q HA 0.007 4.323 4.340 -0.041 0.000 0.262 395 Q C -0.394 175.585 176.000 -0.035 0.000 0.981 395 Q CA 0.456 56.246 55.803 -0.022 0.000 0.905 395 Q CB 0.621 29.351 28.738 -0.014 0.000 1.186 395 Q HN 0.019 nan 8.270 nan 0.000 0.399 396 E N 2.154 122.334 120.200 -0.033 0.000 2.280 396 E HA 0.414 4.739 4.350 -0.041 0.000 0.261 396 E C 0.130 176.710 176.600 -0.034 0.000 1.088 396 E CA 0.098 56.472 56.400 -0.043 0.000 0.915 396 E CB 0.843 30.520 29.700 -0.038 0.000 1.141 396 E HN 0.918 nan 8.360 nan 0.000 0.433 397 G N 1.355 110.132 108.800 -0.037 0.000 2.272 397 G HA2 -0.221 3.715 3.960 -0.041 0.000 0.280 397 G HA3 -0.221 3.715 3.960 -0.041 0.000 0.280 397 G C 0.489 175.372 174.900 -0.027 0.000 1.067 397 G CA 0.269 45.351 45.100 -0.029 0.000 0.902 397 G HN 0.253 nan 8.290 nan 0.000 0.500 398 M N -0.851 118.728 119.600 -0.034 0.000 2.371 398 M HA 0.161 4.616 4.480 -0.041 0.000 0.246 398 M C 1.949 178.232 176.300 -0.028 0.000 1.103 398 M CA 0.558 55.841 55.300 -0.029 0.000 1.010 398 M CB -0.117 32.463 32.600 -0.033 0.000 1.457 398 M HN 0.350 nan 8.290 nan 0.000 0.486 399 E N 1.095 121.277 120.200 -0.031 0.000 2.108 399 E HA -0.189 4.137 4.350 -0.041 0.000 0.203 399 E C 2.094 178.681 176.600 -0.022 0.000 1.022 399 E CA 2.041 58.425 56.400 -0.027 0.000 0.823 399 E CB -0.841 28.844 29.700 -0.025 0.000 0.744 399 E HN 0.597 nan 8.360 nan 0.000 0.456 400 G N 0.436 109.224 108.800 -0.021 0.000 2.402 400 G HA2 -0.215 3.720 3.960 -0.041 0.000 0.216 400 G HA3 -0.215 3.720 3.960 -0.041 0.000 0.216 400 G C 1.517 176.406 174.900 -0.019 0.000 1.162 400 G CA 0.750 45.838 45.100 -0.021 0.000 0.777 400 G HN 0.205 nan 8.290 nan 0.000 0.539 401 L N 0.560 121.774 121.223 -0.016 0.000 2.017 401 L HA 0.112 4.428 4.340 -0.041 0.000 0.208 401 L C 2.693 179.556 176.870 -0.011 0.000 1.073 401 L CA 1.388 56.222 54.840 -0.011 0.000 0.745 401 L CB -0.530 41.526 42.059 -0.006 0.000 0.894 401 L HN 0.200 nan 8.230 nan 0.000 0.432 402 L N -0.585 120.630 121.223 -0.014 0.000 2.042 402 L HA -0.149 4.166 4.340 -0.041 0.000 0.210 402 L C 2.502 179.364 176.870 -0.014 0.000 1.076 402 L CA 1.359 56.191 54.840 -0.014 0.000 0.749 402 L CB -1.374 40.673 42.059 -0.019 0.000 0.893 402 L HN 0.484 nan 8.230 nan 0.000 0.432 403 G N -1.192 107.598 108.800 -0.015 0.000 2.408 403 G HA2 -0.186 3.749 3.960 -0.041 0.000 0.217 403 G HA3 -0.186 3.749 3.960 -0.041 0.000 0.217 403 G C 1.583 176.474 174.900 -0.016 0.000 1.150 403 G CA 1.103 46.194 45.100 -0.015 0.000 0.776 403 G HN 0.278 nan 8.290 nan 0.000 0.542 404 T N 1.400 115.944 114.554 -0.016 0.000 2.812 404 T HA 0.012 4.337 4.350 -0.041 0.000 0.264 404 T C 2.424 177.114 174.700 -0.016 0.000 1.042 404 T CA 0.685 62.775 62.100 -0.017 0.000 1.140 404 T CB -0.155 68.703 68.868 -0.017 0.000 0.870 404 T HN 0.146 nan 8.240 nan 0.000 0.445 405 L N 0.721 121.936 121.223 -0.013 0.000 2.141 405 L HA -0.044 4.272 4.340 -0.041 0.000 0.209 405 L C 2.595 179.457 176.870 -0.013 0.000 1.094 405 L CA 0.657 55.491 54.840 -0.011 0.000 0.763 405 L CB -0.639 41.417 42.059 -0.005 0.000 0.908 405 L HN 0.120 nan 8.230 nan 0.000 0.437 406 V N -0.348 119.558 119.914 -0.014 0.000 2.427 406 V HA -0.278 3.818 4.120 -0.041 0.000 0.248 406 V C 2.508 178.590 176.094 -0.020 0.000 1.051 406 V CA 1.722 64.011 62.300 -0.017 0.000 1.048 406 V CB -0.428 31.384 31.823 -0.019 0.000 0.666 406 V HN 0.542 nan 8.190 nan 0.000 0.456 407 Q N -0.288 119.501 119.800 -0.019 0.000 2.123 407 Q HA -0.106 4.209 4.340 -0.041 0.000 0.199 407 Q C 2.149 178.137 176.000 -0.019 0.000 0.966 407 Q CA 1.385 57.176 55.803 -0.019 0.000 0.845 407 Q CB -0.045 28.683 28.738 -0.018 0.000 0.907 407 Q HN 0.585 nan 8.270 nan 0.000 0.439 408 L N 0.699 121.910 121.223 -0.020 0.000 2.376 408 L HA -0.103 4.212 4.340 -0.041 0.000 0.219 408 L C 2.182 179.039 176.870 -0.021 0.000 1.133 408 L CA 0.221 55.047 54.840 -0.023 0.000 0.816 408 L CB -0.181 41.862 42.059 -0.026 0.000 0.933 408 L HN 0.222 nan 8.230 nan 0.000 0.449 409 L N -0.488 120.724 121.223 -0.018 0.000 2.362 409 L HA -0.066 4.250 4.340 -0.041 0.000 0.219 409 L C 2.188 179.050 176.870 -0.014 0.000 1.134 409 L CA 0.842 55.673 54.840 -0.014 0.000 0.807 409 L CB -0.571 41.480 42.059 -0.014 0.000 0.927 409 L HN 0.280 nan 8.230 nan 0.000 0.447 410 G N -0.824 107.967 108.800 -0.015 0.000 3.141 410 G HA2 -0.006 3.929 3.960 -0.041 0.000 0.218 410 G HA3 -0.006 3.929 3.960 -0.041 0.000 0.218 410 G C 0.659 175.551 174.900 -0.013 0.000 1.170 410 G CA 0.198 45.290 45.100 -0.013 0.000 0.769 410 G HN 0.373 nan 8.290 nan 0.000 0.546 411 S N 0.466 116.156 115.700 -0.016 0.000 2.603 411 S HA 0.249 4.695 4.470 -0.041 0.000 0.268 411 S C 0.832 175.423 174.600 -0.015 0.000 1.317 411 S CA 0.113 58.302 58.200 -0.019 0.000 1.012 411 S CB 1.570 64.754 63.200 -0.027 0.000 0.926 411 S HN 0.199 nan 8.310 nan 0.000 0.539 412 D N -0.884 119.507 120.400 -0.015 0.000 2.340 412 D HA 0.041 4.657 4.640 -0.041 0.000 0.220 412 D C -0.123 176.169 176.300 -0.013 0.000 1.039 412 D CA -0.020 53.973 54.000 -0.012 0.000 0.866 412 D CB -0.285 40.509 40.800 -0.010 0.000 0.913 412 D HN 0.540 nan 8.370 nan 0.000 0.523 413 D N 0.432 120.820 120.400 -0.021 0.000 2.295 413 D HA 0.083 4.699 4.640 -0.041 0.000 0.248 413 D C 1.174 177.462 176.300 -0.020 0.000 1.154 413 D CA -0.469 53.516 54.000 -0.025 0.000 0.857 413 D CB 1.064 41.838 40.800 -0.043 0.000 1.117 413 D HN -0.113 nan 8.370 nan 0.000 0.468 414 I N 3.832 124.398 120.570 -0.007 0.000 2.226 414 I HA -0.260 3.885 4.170 -0.041 0.000 0.245 414 I C 1.929 178.050 176.117 0.008 0.000 1.100 414 I CA 1.180 62.484 61.300 0.007 0.000 1.374 414 I CB -0.475 37.538 38.000 0.020 0.000 1.057 414 I HN 0.438 nan 8.210 nan 0.000 0.413 415 N N -0.173 118.525 118.700 -0.004 0.000 2.270 415 N HA -0.087 4.629 4.740 -0.041 0.000 0.181 415 N C 1.837 177.301 175.510 -0.077 0.000 1.016 415 N CA 0.758 53.800 53.050 -0.014 0.000 0.870 415 N CB -0.005 38.464 38.487 -0.030 0.000 0.979 415 N HN 0.104 nan 8.380 nan 0.000 0.431 416 V N 0.315 120.175 119.914 -0.090 0.000 2.307 416 V HA -0.152 3.944 4.120 -0.041 0.000 0.245 416 V C 2.144 178.208 176.094 -0.051 0.000 1.045 416 V CA 1.218 63.461 62.300 -0.096 0.000 1.024 416 V CB -0.343 31.429 31.823 -0.085 0.000 0.651 416 V HN 0.133 nan 8.190 nan 0.000 0.449 417 V N -0.079 119.818 119.914 -0.028 0.000 2.343 417 V HA -0.256 3.839 4.120 -0.041 0.000 0.247 417 V C 2.566 178.662 176.094 0.004 0.000 1.051 417 V CA 2.571 64.865 62.300 -0.010 0.000 1.036 417 V CB -1.023 30.797 31.823 -0.004 0.000 0.654 417 V HN 0.608 nan 8.190 nan 0.000 0.451 418 T N -1.149 113.414 114.554 0.015 0.000 2.746 418 T HA -0.212 4.114 4.350 -0.041 0.000 0.267 418 T C 1.969 176.697 174.700 0.047 0.000 1.039 418 T CA 1.916 64.039 62.100 0.040 0.000 1.142 418 T CB -0.457 68.449 68.868 0.064 0.000 0.866 418 T HN 0.523 nan 8.240 nan 0.000 0.444 419 C N 1.536 120.855 119.300 0.033 0.000 2.453 419 C HA 0.176 4.612 4.460 -0.041 0.000 0.277 419 C C 3.257 178.262 174.990 0.025 0.000 1.262 419 C CA 0.298 59.340 59.018 0.039 0.000 1.718 419 C CB -1.362 26.368 27.740 -0.016 0.000 2.031 419 C HN 0.652 nan 8.230 nan 0.000 0.480 420 A N 0.406 123.227 122.820 0.002 0.000 1.972 420 A HA 0.048 4.343 4.320 -0.041 0.000 0.219 420 A C 2.286 179.878 177.584 0.013 0.000 1.169 420 A CA 2.056 54.094 52.037 0.002 0.000 0.635 420 A CB -0.696 18.298 19.000 -0.010 0.000 0.810 420 A HN 0.592 nan 8.150 nan 0.000 0.446 421 A N -0.696 122.134 122.820 0.017 0.000 1.929 421 A HA 0.235 4.531 4.320 -0.041 0.000 0.216 421 A C 2.333 179.936 177.584 0.032 0.000 1.176 421 A CA 1.612 53.661 52.037 0.020 0.000 0.628 421 A CB -1.107 17.905 19.000 0.019 0.000 0.816 421 A HN 0.652 nan 8.150 nan 0.000 0.444 422 G N 0.044 108.870 108.800 0.043 0.000 2.403 422 G HA2 -0.101 3.835 3.960 -0.041 0.000 0.216 422 G HA3 -0.101 3.835 3.960 -0.041 0.000 0.216 422 G C 1.480 176.414 174.900 0.058 0.000 1.154 422 G CA 1.053 46.187 45.100 0.057 0.000 0.784 422 G HN 0.459 nan 8.290 nan 0.000 0.538 423 I N 0.265 120.865 120.570 0.050 0.000 2.252 423 I HA -0.061 4.085 4.170 -0.041 0.000 0.245 423 I C 2.627 178.770 176.117 0.042 0.000 1.102 423 I CA 0.531 61.858 61.300 0.045 0.000 1.385 423 I CB -0.155 37.866 38.000 0.035 0.000 1.064 423 I HN 0.093 nan 8.210 nan 0.000 0.414 424 L N 0.391 121.636 121.223 0.037 0.000 2.083 424 L HA -0.202 4.114 4.340 -0.041 0.000 0.209 424 L C 2.839 179.750 176.870 0.068 0.000 1.083 424 L CA 1.696 56.558 54.840 0.037 0.000 0.752 424 L CB -0.601 41.471 42.059 0.022 0.000 0.899 424 L HN 0.381 nan 8.230 nan 0.000 0.433 425 S N -0.487 115.261 115.700 0.080 0.000 2.368 425 S HA -0.152 4.294 4.470 -0.041 0.000 0.224 425 S C 1.784 176.516 174.600 0.220 0.000 1.029 425 S CA 1.254 59.544 58.200 0.150 0.000 0.988 425 S CB -0.466 62.790 63.200 0.093 0.000 0.838 425 S HN 0.391 nan 8.310 nan 0.000 0.462 426 N N 2.057 120.830 118.700 0.122 0.000 2.142 426 N HA 0.136 4.851 4.740 -0.041 0.000 0.186 426 N C 1.663 177.196 175.510 0.039 0.000 1.023 426 N CA 1.138 54.233 53.050 0.076 0.000 0.852 426 N CB -0.626 37.895 38.487 0.056 0.000 0.998 426 N HN 0.430 nan 8.380 nan 0.000 0.424 427 L N 0.185 121.430 121.223 0.038 0.000 2.465 427 L HA 0.011 4.327 4.340 -0.041 0.000 0.224 427 L C 1.174 178.044 176.870 -0.001 0.000 1.145 427 L CA 0.775 55.621 54.840 0.010 0.000 0.834 427 L CB -0.272 41.791 42.059 0.006 0.000 0.944 427 L HN 0.088 nan 8.230 nan 0.000 0.451 428 T N -1.753 112.824 114.554 0.038 0.000 3.107 428 T HA 0.030 4.355 4.350 -0.041 0.000 0.249 428 T C 0.739 175.422 174.700 -0.027 0.000 1.096 428 T CA -0.018 62.107 62.100 0.041 0.000 1.012 428 T CB -0.168 68.782 68.868 0.137 0.000 0.977 428 T HN 0.209 nan 8.240 nan 0.000 0.527 429 C N 3.742 122.979 119.300 -0.104 0.000 2.624 429 C HA 0.176 4.611 4.460 -0.041 0.000 0.397 429 C C 1.081 175.981 174.990 -0.150 0.000 1.331 429 C CA -0.610 58.242 59.018 -0.278 0.000 1.716 429 C CB -1.640 25.973 27.740 -0.211 0.000 2.452 429 C HN 0.611 nan 8.230 nan 0.000 0.586 430 N N 2.557 121.174 118.700 -0.138 0.000 2.690 430 N HA -0.204 4.511 4.740 -0.041 0.000 0.249 430 N C -0.342 175.171 175.510 0.005 0.000 1.125 430 N CA 1.088 54.112 53.050 -0.044 0.000 0.794 430 N CB -1.034 37.432 38.487 -0.034 0.000 1.152 430 N HN 0.844 nan 8.380 nan 0.000 0.571 431 N N 0.521 119.207 118.700 -0.024 0.000 2.621 431 N HA 0.083 4.798 4.740 -0.041 0.000 0.237 431 N C 1.122 176.598 175.510 -0.057 0.000 0.997 431 N CA -0.420 52.607 53.050 -0.039 0.000 0.918 431 N CB 0.410 38.850 38.487 -0.078 0.000 1.122 431 N HN 0.239 nan 8.380 nan 0.000 0.510 432 Y N 3.411 123.678 120.300 -0.055 0.000 2.207 432 Y HA -0.065 4.460 4.550 -0.041 0.000 0.287 432 Y C 1.518 177.375 175.900 -0.071 0.000 1.156 432 Y CA 1.241 59.304 58.100 -0.062 0.000 1.182 432 Y CB -0.073 38.398 38.460 0.019 0.000 0.979 432 Y HN 0.270 nan 8.280 nan 0.000 0.521 433 K N 0.344 120.346 120.400 -0.664 0.000 2.097 433 K HA -0.128 4.167 4.320 -0.041 0.000 0.205 433 K C 1.733 178.198 176.600 -0.224 0.000 1.050 433 K CA 1.356 57.359 56.287 -0.474 0.000 0.938 433 K CB -0.204 31.978 32.500 -0.530 0.000 0.718 433 K HN 0.338 nan 8.250 nan 0.000 0.442 434 N N 1.122 119.705 118.700 -0.195 0.000 2.216 434 N HA -0.094 4.622 4.740 -0.041 0.000 0.183 434 N C 1.408 176.846 175.510 -0.120 0.000 1.017 434 N CA 1.084 54.060 53.050 -0.123 0.000 0.861 434 N CB 0.042 38.473 38.487 -0.095 0.000 0.986 434 N HN 0.180 nan 8.380 nan 0.000 0.428 435 K N 0.497 120.783 120.400 -0.190 0.000 2.026 435 K HA -0.015 4.281 4.320 -0.041 0.000 0.208 435 K C 2.105 178.577 176.600 -0.214 0.000 1.048 435 K CA 1.157 57.252 56.287 -0.319 0.000 0.929 435 K CB -0.136 31.907 32.500 -0.763 0.000 0.713 435 K HN 0.134 nan 8.250 nan 0.000 0.439 436 M N -0.041 119.492 119.600 -0.112 0.000 2.117 436 M HA -0.157 4.299 4.480 -0.041 0.000 0.262 436 M C 2.233 178.554 176.300 0.035 0.000 1.065 436 M CA 1.305 56.649 55.300 0.073 0.000 1.114 436 M CB -0.101 32.569 32.600 0.115 0.000 1.361 436 M HN 0.139 nan 8.290 nan 0.000 0.408 437 M N -0.507 119.084 119.600 -0.015 0.000 2.175 437 M HA -0.102 4.353 4.480 -0.041 0.000 0.264 437 M C 2.199 178.495 176.300 -0.006 0.000 1.063 437 M CA 1.317 56.609 55.300 -0.014 0.000 1.119 437 M CB -0.878 31.702 32.600 -0.034 0.000 1.377 437 M HN 0.131 nan 8.290 nan 0.000 0.415 438 V N -0.597 119.309 119.914 -0.013 0.000 2.427 438 V HA -0.286 3.810 4.120 -0.041 0.000 0.248 438 V C 2.495 178.597 176.094 0.013 0.000 1.051 438 V CA 1.447 63.744 62.300 -0.005 0.000 1.048 438 V CB -0.811 31.006 31.823 -0.009 0.000 0.666 438 V HN 0.485 nan 8.190 nan 0.000 0.456 439 C N -0.566 118.757 119.300 0.039 0.000 2.435 439 C HA -0.113 4.322 4.460 -0.041 0.000 0.279 439 C C 2.674 177.690 174.990 0.043 0.000 1.321 439 C CA 0.518 59.573 59.018 0.062 0.000 1.752 439 C CB -0.952 26.863 27.740 0.125 0.000 1.959 439 C HN 0.552 nan 8.230 nan 0.000 0.500 440 Q N 0.448 120.270 119.800 0.036 0.000 2.432 440 Q HA 0.021 4.337 4.340 -0.041 0.000 0.205 440 Q C 1.790 177.797 176.000 0.012 0.000 0.945 440 Q CA 0.908 56.727 55.803 0.026 0.000 0.924 440 Q CB -0.105 28.648 28.738 0.025 0.000 1.016 440 Q HN 0.749 nan 8.270 nan 0.000 0.503 441 V N -4.090 115.827 119.914 0.004 0.000 3.271 441 V HA 0.539 4.635 4.120 -0.041 0.000 0.327 441 V C 0.854 176.940 176.094 -0.014 0.000 1.389 441 V CA 0.220 62.517 62.300 -0.005 0.000 1.156 441 V CB -0.082 31.736 31.823 -0.009 0.000 1.103 441 V HN 0.228 nan 8.190 nan 0.000 0.453 442 G N 0.206 108.996 108.800 -0.017 0.000 2.212 442 G HA2 -0.181 3.755 3.960 -0.041 0.000 0.255 442 G HA3 -0.181 3.755 3.960 -0.041 0.000 0.255 442 G C 0.849 175.712 174.900 -0.063 0.000 1.062 442 G CA 0.337 45.409 45.100 -0.046 0.000 0.815 442 G HN 1.129 nan 8.290 nan 0.000 0.497 443 G N -0.059 108.719 108.800 -0.037 0.000 2.403 443 G HA2 0.062 3.998 3.960 -0.041 0.000 0.216 443 G HA3 0.062 3.998 3.960 -0.041 0.000 0.216 443 G C 1.741 176.615 174.900 -0.043 0.000 1.154 443 G CA 1.261 46.342 45.100 -0.032 0.000 0.784 443 G HN 0.462 nan 8.290 nan 0.000 0.538 444 I N 1.226 121.771 120.570 -0.042 0.000 2.179 444 I HA -0.141 4.004 4.170 -0.041 0.000 0.242 444 I C 2.499 178.547 176.117 -0.116 0.000 1.088 444 I CA 1.453 62.730 61.300 -0.039 0.000 1.357 444 I CB -1.141 36.866 38.000 0.013 0.000 1.051 444 I HN 0.372 nan 8.210 nan 0.000 0.409 445 E N 1.145 121.172 120.200 -0.288 0.000 2.051 445 E HA -0.212 4.113 4.350 -0.041 0.000 0.192 445 E C 2.299 178.780 176.600 -0.198 0.000 0.991 445 E CA 1.510 57.631 56.400 -0.464 0.000 0.799 445 E CB 0.045 29.278 29.700 -0.778 0.000 0.748 445 E HN 0.417 nan 8.360 nan 0.000 0.449 446 A N 0.934 123.671 122.820 -0.138 0.000 1.908 446 A HA -0.157 4.139 4.320 -0.041 0.000 0.218 446 A C 2.192 179.749 177.584 -0.045 0.000 1.181 446 A CA 1.235 53.228 52.037 -0.073 0.000 0.627 446 A CB -0.598 18.369 19.000 -0.056 0.000 0.818 446 A HN 0.329 nan 8.150 nan 0.000 0.445 447 L N -0.899 120.300 121.223 -0.041 0.000 2.156 447 L HA -0.084 4.232 4.340 -0.041 0.000 0.208 447 L C 2.411 179.276 176.870 -0.008 0.000 1.095 447 L CA 0.497 55.325 54.840 -0.019 0.000 0.770 447 L CB -0.248 41.802 42.059 -0.015 0.000 0.914 447 L HN 0.235 nan 8.230 nan 0.000 0.439 448 V N -0.297 119.610 119.914 -0.011 0.000 2.379 448 V HA -0.227 3.868 4.120 -0.041 0.000 0.245 448 V C 2.618 178.726 176.094 0.024 0.000 1.044 448 V CA 1.539 63.850 62.300 0.018 0.000 1.036 448 V CB -0.484 31.362 31.823 0.037 0.000 0.664 448 V HN 0.407 nan 8.190 nan 0.000 0.453 449 R N -0.294 120.210 120.500 0.007 0.000 2.096 449 R HA -0.148 4.168 4.340 -0.041 0.000 0.235 449 R C 2.304 178.611 176.300 0.012 0.000 1.127 449 R CA 1.935 58.044 56.100 0.015 0.000 0.968 449 R CB -0.301 29.998 30.300 -0.002 0.000 0.861 449 R HN 0.524 nan 8.270 nan 0.000 0.440 450 T N 0.047 114.604 114.554 0.004 0.000 2.777 450 T HA -0.079 4.247 4.350 -0.041 0.000 0.266 450 T C 1.775 176.482 174.700 0.012 0.000 1.040 450 T CA 1.348 63.451 62.100 0.006 0.000 1.141 450 T CB -0.061 68.808 68.868 0.001 0.000 0.868 450 T HN 0.024 nan 8.240 nan 0.000 0.444 451 V N 1.628 121.552 119.914 0.016 0.000 2.427 451 V HA -0.076 4.020 4.120 -0.041 0.000 0.248 451 V C 2.489 178.597 176.094 0.023 0.000 1.051 451 V CA 1.024 63.336 62.300 0.020 0.000 1.048 451 V CB -0.579 31.258 31.823 0.023 0.000 0.666 451 V HN 0.332 nan 8.190 nan 0.000 0.456 452 L N -0.126 121.114 121.223 0.028 0.000 2.017 452 L HA -0.112 4.204 4.340 -0.041 0.000 0.208 452 L C 2.557 179.439 176.870 0.020 0.000 1.073 452 L CA 1.902 56.760 54.840 0.029 0.000 0.745 452 L CB -1.247 40.836 42.059 0.039 0.000 0.894 452 L HN 0.278 nan 8.230 nan 0.000 0.432 453 R N -1.161 119.350 120.500 0.018 0.000 2.115 453 R HA -0.091 4.225 4.340 -0.041 0.000 0.230 453 R C 2.142 178.450 176.300 0.013 0.000 1.111 453 R CA 1.140 57.248 56.100 0.013 0.000 0.976 453 R CB -0.051 30.255 30.300 0.011 0.000 0.870 453 R HN 0.379 nan 8.270 nan 0.000 0.445 454 A N 0.047 122.876 122.820 0.015 0.000 1.929 454 A HA 0.134 4.430 4.320 -0.041 0.000 0.216 454 A C 1.460 179.053 177.584 0.015 0.000 1.176 454 A CA 1.441 53.488 52.037 0.016 0.000 0.628 454 A CB -0.573 18.439 19.000 0.019 0.000 0.816 454 A HN 0.502 nan 8.150 nan 0.000 0.444 455 G N 0.409 109.217 108.800 0.014 0.000 2.557 455 G HA2 -0.429 3.507 3.960 -0.041 0.000 0.292 455 G HA3 -0.429 3.507 3.960 -0.041 0.000 0.292 455 G C 0.486 175.392 174.900 0.009 0.000 1.162 455 G CA 1.117 46.223 45.100 0.009 0.000 0.964 455 G HN 0.960 nan 8.290 nan 0.000 0.541 456 D N 1.157 121.561 120.400 0.007 0.000 2.340 456 D HA 0.122 4.738 4.640 -0.041 0.000 0.220 456 D C 1.332 177.645 176.300 0.021 0.000 1.039 456 D CA 0.218 54.221 54.000 0.004 0.000 0.866 456 D CB -0.181 40.616 40.800 -0.005 0.000 0.913 456 D HN 0.575 nan 8.370 nan 0.000 0.523 457 R N 1.252 121.767 120.500 0.026 0.000 2.387 457 R HA 0.121 4.437 4.340 -0.041 0.000 0.321 457 R C 0.554 176.880 176.300 0.043 0.000 1.174 457 R CA 0.054 56.176 56.100 0.037 0.000 1.002 457 R CB 0.176 30.496 30.300 0.032 0.000 1.028 457 R HN 0.279 nan 8.270 nan 0.000 0.482 458 E N 1.110 121.345 120.200 0.058 0.000 2.418 458 E HA -0.163 4.163 4.350 -0.041 0.000 0.197 458 E C 0.499 177.136 176.600 0.061 0.000 1.026 458 E CA 0.534 56.974 56.400 0.066 0.000 0.862 458 E CB 0.225 29.986 29.700 0.101 0.000 0.799 458 E HN 0.512 nan 8.360 nan 0.000 0.518 459 D N 0.526 120.960 120.400 0.057 0.000 2.178 459 D HA -0.082 4.534 4.640 -0.041 0.000 0.202 459 D C 1.719 178.049 176.300 0.051 0.000 0.974 459 D CA 0.901 54.934 54.000 0.056 0.000 0.841 459 D CB 0.162 40.996 40.800 0.058 0.000 0.953 459 D HN 0.239 nan 8.370 nan 0.000 0.478 460 I N -0.586 120.010 120.570 0.044 0.000 2.810 460 I HA -0.085 4.061 4.170 -0.041 0.000 0.262 460 I C 2.046 178.182 176.117 0.030 0.000 1.131 460 I CA 0.550 61.871 61.300 0.035 0.000 1.453 460 I CB -0.169 37.849 38.000 0.029 0.000 1.161 460 I HN -0.144 nan 8.210 nan 0.000 0.444 461 T N 0.433 115.006 114.554 0.032 0.000 2.708 461 T HA -0.207 4.119 4.350 -0.041 0.000 0.266 461 T C 1.769 176.486 174.700 0.028 0.000 1.037 461 T CA 1.542 63.659 62.100 0.028 0.000 1.146 461 T CB -0.206 68.680 68.868 0.030 0.000 0.865 461 T HN 0.354 nan 8.240 nan 0.000 0.435 462 E N 0.885 121.108 120.200 0.039 0.000 2.038 462 E HA -0.128 4.198 4.350 -0.041 0.000 0.195 462 E C -0.513 176.101 176.600 0.024 0.000 1.000 462 E CA 1.205 57.629 56.400 0.041 0.000 0.803 462 E CB -0.486 29.249 29.700 0.059 0.000 0.750 462 E HN 0.368 nan 8.360 nan 0.000 0.448 463 P HA -0.066 nan 4.420 nan 0.000 0.222 463 P C 1.017 178.311 177.300 -0.010 0.000 1.153 463 P CA 1.503 64.613 63.100 0.017 0.000 0.798 463 P CB 0.064 31.785 31.700 0.036 0.000 0.796 464 A N 0.574 123.392 122.820 -0.003 0.000 1.898 464 A HA -0.122 4.174 4.320 -0.041 0.000 0.216 464 A C 2.254 179.820 177.584 -0.030 0.000 1.181 464 A CA 1.296 53.327 52.037 -0.011 0.000 0.620 464 A CB -1.302 17.699 19.000 0.002 0.000 0.819 464 A HN 0.026 nan 8.150 nan 0.000 0.442 465 I N -0.256 120.299 120.570 -0.025 0.000 2.439 465 I HA -0.203 3.942 4.170 -0.041 0.000 0.251 465 I C 2.463 178.525 176.117 -0.091 0.000 1.139 465 I CA 0.875 62.156 61.300 -0.031 0.000 1.438 465 I CB -1.514 36.485 38.000 -0.001 0.000 1.085 465 I HN 0.359 nan 8.210 nan 0.000 0.427 466 C N 0.860 120.081 119.300 -0.131 0.000 2.446 466 C HA -0.052 4.384 4.460 -0.041 0.000 0.277 466 C C 3.158 177.757 174.990 -0.652 0.000 1.275 466 C CA 0.850 59.679 59.018 -0.316 0.000 1.727 466 C CB -1.111 26.519 27.740 -0.184 0.000 2.010 466 C HN 0.577 nan 8.230 nan 0.000 0.486 467 A N 0.373 123.000 122.820 -0.323 0.000 1.902 467 A HA -0.119 4.176 4.320 -0.041 0.000 0.217 467 A C 2.093 179.598 177.584 -0.130 0.000 1.181 467 A CA 1.479 53.401 52.037 -0.191 0.000 0.623 467 A CB -0.614 18.358 19.000 -0.047 0.000 0.818 467 A HN 0.611 nan 8.150 nan 0.000 0.443 468 L N -1.158 120.007 121.223 -0.097 0.000 2.141 468 L HA -0.141 4.175 4.340 -0.041 0.000 0.209 468 L C 2.778 179.639 176.870 -0.015 0.000 1.094 468 L CA 1.559 56.381 54.840 -0.029 0.000 0.763 468 L CB -0.376 41.675 42.059 -0.012 0.000 0.908 468 L HN 0.465 nan 8.230 nan 0.000 0.437 469 R N -0.535 119.915 120.500 -0.083 0.000 2.115 469 R HA -0.141 4.175 4.340 -0.041 0.000 0.226 469 R C 2.144 178.504 176.300 0.100 0.000 1.100 469 R CA 1.386 57.480 56.100 -0.009 0.000 0.980 469 R CB -0.189 30.094 30.300 -0.028 0.000 0.875 469 R HN 0.511 nan 8.270 nan 0.000 0.445 470 H N -0.283 118.825 119.070 0.063 0.000 2.395 470 H HA -0.020 4.511 4.556 -0.041 0.000 0.299 470 H C 1.925 177.303 175.328 0.084 0.000 1.070 470 H CA 1.011 57.095 56.048 0.060 0.000 1.356 470 H CB 0.125 29.906 29.762 0.031 0.000 1.401 470 H HN 0.144 nan 8.280 nan 0.000 0.524 471 L N 0.346 121.686 121.223 0.196 0.000 2.551 471 L HA -0.050 4.265 4.340 -0.041 0.000 0.228 471 L C 0.989 178.078 176.870 0.366 0.000 1.153 471 L CA 0.743 55.718 54.840 0.226 0.000 0.851 471 L CB 0.190 42.331 42.059 0.136 0.000 0.959 471 L HN 0.220 nan 8.230 nan 0.000 0.451 472 T N -1.264 113.426 114.554 0.228 0.000 3.174 472 T HA 0.163 4.488 4.350 -0.041 0.000 0.269 472 T C 0.230 175.001 174.700 0.118 0.000 1.017 472 T CA 0.087 62.272 62.100 0.141 0.000 0.899 472 T CB 0.094 69.015 68.868 0.088 0.000 1.077 472 T HN 0.350 nan 8.240 nan 0.000 0.552 473 S N 0.613 116.432 115.700 0.198 0.000 2.550 473 S HA 0.574 5.019 4.470 -0.041 0.000 0.270 473 S C -0.662 174.084 174.600 0.244 0.000 1.145 473 S CA -1.197 57.096 58.200 0.155 0.000 0.852 473 S CB 1.565 64.842 63.200 0.129 0.000 1.119 473 S HN 0.249 nan 8.310 nan 0.000 0.465 474 R N 0.872 121.458 120.500 0.142 0.000 3.251 474 R HA -0.220 4.095 4.340 -0.041 0.000 0.249 474 R C -0.466 175.977 176.300 0.239 0.000 0.949 474 R CA 1.600 57.782 56.100 0.137 0.000 0.645 474 R CB -2.847 27.514 30.300 0.102 0.000 1.065 474 R HN 1.108 nan 8.270 nan 0.000 0.452 475 H N -4.986 114.108 119.070 0.040 0.000 2.987 475 H HA 0.173 4.705 4.556 -0.040 0.000 0.316 475 H C 0.258 175.613 175.328 0.045 0.000 1.380 475 H CA -0.944 55.142 56.048 0.063 0.000 1.160 475 H CB 0.580 30.425 29.762 0.140 0.000 1.865 475 H HN -0.069 nan 8.280 nan 0.000 0.521 476 Q N -0.227 119.622 119.800 0.081 0.000 2.234 476 Q HA -0.101 4.214 4.340 -0.041 0.000 0.206 476 Q C 0.490 176.443 176.000 -0.077 0.000 0.980 476 Q CA 1.470 57.273 55.803 0.001 0.000 0.869 476 Q CB 0.152 28.933 28.738 0.071 0.000 0.912 476 Q HN 0.559 nan 8.270 nan 0.000 0.436 477 E N -0.672 119.447 120.200 -0.134 0.000 2.465 477 E HA 0.137 4.463 4.350 -0.041 0.000 0.195 477 E C 1.190 177.566 176.600 -0.374 0.000 1.028 477 E CA 0.134 56.456 56.400 -0.129 0.000 0.899 477 E CB 0.564 30.348 29.700 0.140 0.000 1.032 477 E HN 0.272 nan 8.360 nan 0.000 0.468 478 A N 1.241 123.608 122.820 -0.755 0.000 1.902 478 A HA -0.226 4.069 4.320 -0.041 0.000 0.217 478 A C 2.127 179.605 177.584 -0.176 0.000 1.181 478 A CA 1.637 53.380 52.037 -0.490 0.000 0.623 478 A CB -0.285 18.485 19.000 -0.384 0.000 0.818 478 A HN 0.256 nan 8.150 nan 0.000 0.443 479 E N -0.855 119.257 120.200 -0.147 0.000 2.077 479 E HA -0.223 4.103 4.350 -0.041 0.000 0.193 479 E C 2.031 178.596 176.600 -0.057 0.000 0.989 479 E CA 1.487 57.837 56.400 -0.082 0.000 0.800 479 E CB -0.195 29.461 29.700 -0.073 0.000 0.746 479 E HN 0.583 nan 8.360 nan 0.000 0.452 480 M N 0.536 120.105 119.600 -0.051 0.000 2.132 480 M HA -0.091 4.365 4.480 -0.041 0.000 0.263 480 M C 2.154 178.456 176.300 0.003 0.000 1.065 480 M CA 1.913 57.202 55.300 -0.018 0.000 1.122 480 M CB -0.529 32.069 32.600 -0.002 0.000 1.365 480 M HN 0.177 nan 8.290 nan 0.000 0.411 481 A N 0.173 122.999 122.820 0.010 0.000 1.930 481 A HA -0.206 4.090 4.320 -0.041 0.000 0.217 481 A C 1.956 179.560 177.584 0.034 0.000 1.175 481 A CA 1.678 53.742 52.037 0.046 0.000 0.627 481 A CB -0.709 18.344 19.000 0.088 0.000 0.815 481 A HN 0.726 nan 8.150 nan 0.000 0.443 482 Q N -0.401 119.404 119.800 0.008 0.000 2.084 482 Q HA -0.187 4.128 4.340 -0.041 0.000 0.202 482 Q C 1.871 177.869 176.000 -0.004 0.000 0.978 482 Q CA 1.896 57.701 55.803 0.003 0.000 0.844 482 Q CB -0.222 28.506 28.738 -0.015 0.000 0.898 482 Q HN 0.823 nan 8.270 nan 0.000 0.426 483 N N -0.005 118.685 118.700 -0.017 0.000 2.171 483 N HA -0.067 4.649 4.740 -0.041 0.000 0.184 483 N C 1.631 177.123 175.510 -0.031 0.000 1.021 483 N CA 0.880 53.911 53.050 -0.032 0.000 0.854 483 N CB -0.085 38.376 38.487 -0.043 0.000 0.994 483 N HN 0.196 nan 8.380 nan 0.000 0.426 484 A N 0.636 123.461 122.820 0.007 0.000 1.940 484 A HA -0.114 4.182 4.320 -0.041 0.000 0.219 484 A C 2.269 179.920 177.584 0.111 0.000 1.176 484 A CA 1.177 53.256 52.037 0.070 0.000 0.631 484 A CB -0.813 18.276 19.000 0.149 0.000 0.814 484 A HN 0.113 nan 8.150 nan 0.000 0.446 485 V N 0.057 120.013 119.914 0.070 0.000 2.343 485 V HA -0.271 3.825 4.120 -0.041 0.000 0.247 485 V C 2.648 178.764 176.094 0.036 0.000 1.051 485 V CA 2.358 64.698 62.300 0.067 0.000 1.036 485 V CB -0.828 31.025 31.823 0.050 0.000 0.654 485 V HN 0.723 nan 8.190 nan 0.000 0.451 486 R N 0.078 120.575 120.500 -0.004 0.000 2.062 486 R HA -0.077 4.238 4.340 -0.041 0.000 0.231 486 R C 2.268 178.488 176.300 -0.134 0.000 1.136 486 R CA 1.514 57.596 56.100 -0.030 0.000 0.948 486 R CB -0.320 29.964 30.300 -0.026 0.000 0.845 486 R HN 0.440 nan 8.270 nan 0.000 0.430 487 L N 0.181 121.273 121.223 -0.219 0.000 2.265 487 L HA -0.138 4.178 4.340 -0.041 0.000 0.215 487 L C 1.310 177.727 176.870 -0.756 0.000 1.117 487 L CA 0.788 55.362 54.840 -0.444 0.000 0.782 487 L CB -0.295 41.510 42.059 -0.423 0.000 0.914 487 L HN 0.344 nan 8.230 nan 0.000 0.441 488 H N -1.254 117.618 119.070 -0.330 0.000 2.487 488 H HA 0.133 4.665 4.556 -0.040 0.000 0.290 488 H C -0.266 174.947 175.328 -0.193 0.000 1.081 488 H CA -0.448 55.411 56.048 -0.315 0.000 1.116 488 H CB -0.077 29.613 29.762 -0.121 0.000 1.560 488 H HN 0.268 nan 8.280 nan 0.000 0.548 489 Y N -0.494 119.845 120.300 0.065 0.000 3.305 489 Y HA -0.268 4.258 4.550 -0.041 0.000 0.212 489 Y C 1.755 177.687 175.900 0.053 0.000 1.248 489 Y CA 0.239 58.366 58.100 0.045 0.000 1.359 489 Y CB -1.686 36.796 38.460 0.036 0.000 1.407 489 Y HN 0.386 nan 8.280 nan 0.000 0.572 490 G N -0.339 108.546 108.800 0.142 0.000 2.539 490 G HA2 0.015 3.950 3.960 -0.041 0.000 0.215 490 G HA3 0.015 3.950 3.960 -0.041 0.000 0.215 490 G C 1.373 176.327 174.900 0.090 0.000 1.141 490 G CA 0.558 45.723 45.100 0.108 0.000 0.806 490 G HN 0.448 nan 8.290 nan 0.000 0.533 491 L N 0.734 122.009 121.223 0.087 0.000 2.042 491 L HA -0.066 4.250 4.340 -0.041 0.000 0.210 491 L C -0.001 176.914 176.870 0.076 0.000 1.076 491 L CA 1.235 56.120 54.840 0.076 0.000 0.749 491 L CB -1.419 40.682 42.059 0.070 0.000 0.893 491 L HN 0.153 nan 8.230 nan 0.000 0.432 492 P HA -0.160 nan 4.420 nan 0.000 0.215 492 P C 2.019 179.355 177.300 0.060 0.000 1.153 492 P CA 1.142 64.280 63.100 0.064 0.000 0.853 492 P CB 0.089 31.822 31.700 0.055 0.000 0.788 493 V N -0.567 119.385 119.914 0.062 0.000 2.453 493 V HA -0.153 3.942 4.120 -0.041 0.000 0.247 493 V C 2.138 178.266 176.094 0.056 0.000 1.048 493 V CA 1.582 63.914 62.300 0.053 0.000 1.049 493 V CB -0.768 31.085 31.823 0.050 0.000 0.672 493 V HN -0.107 nan 8.190 nan 0.000 0.457 494 V N -0.328 119.621 119.914 0.059 0.000 2.358 494 V HA -0.179 3.917 4.120 -0.041 0.000 0.246 494 V C 2.439 178.569 176.094 0.061 0.000 1.047 494 V CA 2.058 64.390 62.300 0.054 0.000 1.035 494 V CB -0.279 31.575 31.823 0.052 0.000 0.658 494 V HN 0.448 nan 8.190 nan 0.000 0.452 495 V N -0.178 119.781 119.914 0.075 0.000 2.548 495 V HA -0.214 3.882 4.120 -0.041 0.000 0.249 495 V C 2.382 178.577 176.094 0.168 0.000 1.055 495 V CA 1.952 64.311 62.300 0.098 0.000 1.065 495 V CB -0.627 31.258 31.823 0.103 0.000 0.681 495 V HN 0.538 nan 8.190 nan 0.000 0.462 496 K N 0.170 120.659 120.400 0.147 0.000 2.147 496 K HA -0.118 4.178 4.320 -0.041 0.000 0.205 496 K C 1.926 178.626 176.600 0.166 0.000 1.049 496 K CA 1.326 57.715 56.287 0.170 0.000 0.936 496 K CB -0.160 32.377 32.500 0.062 0.000 0.722 496 K HN 0.413 nan 8.250 nan 0.000 0.446 497 L N 1.051 122.326 121.223 0.087 0.000 2.551 497 L HA -0.076 4.240 4.340 -0.041 0.000 0.228 497 L C 1.863 178.734 176.870 0.001 0.000 1.153 497 L CA 0.257 55.120 54.840 0.039 0.000 0.851 497 L CB -0.089 41.987 42.059 0.028 0.000 0.959 497 L HN 0.192 nan 8.230 nan 0.000 0.451 498 L N -1.469 119.741 121.223 -0.022 0.000 2.313 498 L HA -0.015 4.301 4.340 -0.041 0.000 0.214 498 L C 1.002 177.715 176.870 -0.261 0.000 1.119 498 L CA 0.191 54.941 54.840 -0.149 0.000 0.809 498 L CB -0.295 41.629 42.059 -0.224 0.000 0.933 498 L HN 0.324 nan 8.230 nan 0.000 0.449 499 H N 0.096 119.128 119.070 -0.064 0.000 2.488 499 H HA 0.283 4.814 4.556 -0.041 0.000 0.347 499 H C -2.009 173.242 175.328 -0.129 0.000 1.174 499 H CA -2.014 53.982 56.048 -0.086 0.000 1.307 499 H CB 0.684 30.412 29.762 -0.056 0.000 1.517 499 H HN -0.131 nan 8.280 nan 0.000 0.554 500 P HA 0.015 nan 4.420 nan 0.000 0.271 500 P C -1.710 175.540 177.300 -0.083 0.000 1.233 500 P CA -1.079 61.949 63.100 -0.120 0.000 0.789 500 P CB 0.228 31.855 31.700 -0.121 0.000 0.951 501 P HA -0.021 nan 4.420 nan 0.000 0.247 501 P C 0.146 177.223 177.300 -0.371 0.000 1.225 501 P CA 0.266 63.235 63.100 -0.218 0.000 0.768 501 P CB -0.179 31.434 31.700 -0.144 0.000 1.020 502 S N 0.599 116.133 115.700 -0.276 0.000 2.510 502 S HA 0.084 4.530 4.470 -0.041 0.000 0.279 502 S C 0.434 174.799 174.600 -0.392 0.000 1.284 502 S CA -0.566 57.470 58.200 -0.273 0.000 1.059 502 S CB 0.137 63.262 63.200 -0.125 0.000 0.901 502 S HN 0.178 nan 8.310 nan 0.000 0.491 503 H N 1.647 120.647 119.070 -0.115 0.000 2.581 503 H HA 0.094 4.626 4.556 -0.039 0.000 0.369 503 H C 0.695 175.970 175.328 -0.088 0.000 1.351 503 H CA -0.247 55.718 56.048 -0.138 0.000 1.434 503 H CB 0.245 29.996 29.762 -0.018 0.000 1.558 503 H HN 0.849 nan 8.280 nan 0.000 0.608 504 W N 0.812 122.221 121.300 0.182 0.000 2.321 504 W HA -0.125 4.510 4.660 -0.042 0.000 0.306 504 W C -0.383 176.194 176.519 0.098 0.000 1.217 504 W CA 0.765 58.178 57.345 0.113 0.000 1.257 504 W CB -1.301 28.221 29.460 0.104 0.000 1.145 504 W HN 0.610 nan 8.180 nan 0.000 0.509 505 P HA -0.171 nan 4.420 nan 0.000 0.218 505 P C 1.673 179.076 177.300 0.173 0.000 1.149 505 P CA 1.298 64.531 63.100 0.221 0.000 0.817 505 P CB -0.194 31.607 31.700 0.168 0.000 0.785 506 L N -0.203 121.112 121.223 0.153 0.000 2.072 506 L HA -0.042 4.273 4.340 -0.041 0.000 0.205 506 L C 2.493 179.420 176.870 0.095 0.000 1.079 506 L CA 1.502 56.402 54.840 0.100 0.000 0.752 506 L CB -1.263 40.839 42.059 0.072 0.000 0.906 506 L HN -0.210 nan 8.230 nan 0.000 0.436 507 I N -0.520 120.117 120.570 0.113 0.000 2.226 507 I HA -0.282 3.864 4.170 -0.041 0.000 0.245 507 I C 2.558 178.773 176.117 0.163 0.000 1.100 507 I CA 1.254 62.622 61.300 0.113 0.000 1.374 507 I CB -0.553 37.508 38.000 0.102 0.000 1.057 507 I HN 0.288 nan 8.210 nan 0.000 0.413 508 K N 1.391 121.919 120.400 0.213 0.000 2.057 508 K HA -0.189 4.107 4.320 -0.041 0.000 0.207 508 K C 2.173 178.844 176.600 0.119 0.000 1.049 508 K CA 1.660 58.049 56.287 0.170 0.000 0.931 508 K CB -0.066 32.534 32.500 0.167 0.000 0.714 508 K HN 0.323 nan 8.250 nan 0.000 0.440 509 A N 0.340 123.224 122.820 0.106 0.000 1.898 509 A HA -0.098 4.198 4.320 -0.041 0.000 0.216 509 A C 2.177 179.796 177.584 0.058 0.000 1.181 509 A CA 1.984 54.065 52.037 0.074 0.000 0.620 509 A CB -0.780 18.255 19.000 0.059 0.000 0.819 509 A HN 0.365 nan 8.150 nan 0.000 0.442 510 T N -0.273 114.317 114.554 0.060 0.000 2.821 510 T HA -0.091 4.234 4.350 -0.041 0.000 0.267 510 T C 1.869 176.600 174.700 0.052 0.000 1.046 510 T CA 1.479 63.607 62.100 0.047 0.000 1.139 510 T CB -0.353 68.538 68.868 0.039 0.000 0.871 510 T HN 0.150 nan 8.240 nan 0.000 0.454 511 V N 1.496 121.449 119.914 0.066 0.000 2.343 511 V HA -0.101 3.994 4.120 -0.041 0.000 0.247 511 V C 2.869 179.002 176.094 0.065 0.000 1.051 511 V CA 1.987 64.328 62.300 0.068 0.000 1.036 511 V CB -1.312 30.563 31.823 0.086 0.000 0.654 511 V HN 0.588 nan 8.190 nan 0.000 0.451 512 G N -0.279 108.562 108.800 0.069 0.000 2.422 512 G HA2 -0.220 3.715 3.960 -0.041 0.000 0.218 512 G HA3 -0.220 3.715 3.960 -0.041 0.000 0.218 512 G C 1.558 176.495 174.900 0.062 0.000 1.140 512 G CA 0.986 46.128 45.100 0.069 0.000 0.775 512 G HN 0.448 nan 8.290 nan 0.000 0.545 513 L N 0.650 121.904 121.223 0.052 0.000 2.093 513 L HA 0.185 4.501 4.340 -0.041 0.000 0.208 513 L C 2.537 179.436 176.870 0.048 0.000 1.085 513 L CA 1.227 56.094 54.840 0.044 0.000 0.755 513 L CB -0.363 41.715 42.059 0.031 0.000 0.904 513 L HN 0.240 nan 8.230 nan 0.000 0.435 514 I N -0.717 119.883 120.570 0.049 0.000 2.394 514 I HA -0.216 3.930 4.170 -0.041 0.000 0.251 514 I C 2.676 178.824 176.117 0.051 0.000 1.136 514 I CA 0.822 62.153 61.300 0.051 0.000 1.425 514 I CB -0.429 37.601 38.000 0.050 0.000 1.079 514 I HN 0.320 nan 8.210 nan 0.000 0.425 515 R N 1.316 121.845 120.500 0.049 0.000 2.081 515 R HA -0.184 4.132 4.340 -0.041 0.000 0.235 515 R C 1.878 178.202 176.300 0.040 0.000 1.131 515 R CA 1.802 57.927 56.100 0.042 0.000 0.960 515 R CB -0.302 30.026 30.300 0.048 0.000 0.856 515 R HN 0.339 nan 8.270 nan 0.000 0.436 516 N N 0.831 119.559 118.700 0.047 0.000 2.142 516 N HA -0.094 4.621 4.740 -0.041 0.000 0.186 516 N C 1.893 177.427 175.510 0.040 0.000 1.023 516 N CA 1.013 54.090 53.050 0.046 0.000 0.852 516 N CB -0.285 38.237 38.487 0.059 0.000 0.998 516 N HN 0.230 nan 8.380 nan 0.000 0.424 517 L N 0.243 121.493 121.223 0.045 0.000 2.141 517 L HA -0.009 4.306 4.340 -0.041 0.000 0.209 517 L C 2.032 178.934 176.870 0.053 0.000 1.094 517 L CA 0.794 55.659 54.840 0.042 0.000 0.763 517 L CB -0.386 41.701 42.059 0.046 0.000 0.908 517 L HN 0.106 nan 8.230 nan 0.000 0.437 518 A N -0.273 122.593 122.820 0.077 0.000 2.209 518 A HA -0.023 4.273 4.320 -0.041 0.000 0.212 518 A C 2.161 179.843 177.584 0.163 0.000 1.158 518 A CA 0.747 52.870 52.037 0.143 0.000 0.742 518 A CB -0.457 18.600 19.000 0.095 0.000 0.790 518 A HN 0.382 nan 8.150 nan 0.000 0.472 519 L N -1.069 120.195 121.223 0.068 0.000 2.217 519 L HA -0.052 4.264 4.340 -0.041 0.000 0.211 519 L C 1.354 178.215 176.870 -0.015 0.000 1.107 519 L CA 0.090 54.953 54.840 0.038 0.000 0.783 519 L CB -0.334 41.731 42.059 0.009 0.000 0.919 519 L HN 0.513 nan 8.230 nan 0.000 0.442 520 C N 2.546 121.812 119.300 -0.058 0.000 2.373 520 C HA 0.239 4.675 4.460 -0.041 0.000 0.354 520 C C -0.429 174.353 174.990 -0.348 0.000 1.249 520 C CA -1.883 57.053 59.018 -0.137 0.000 1.784 520 C CB 0.335 28.022 27.740 -0.087 0.000 2.408 520 C HN 0.146 nan 8.230 nan 0.000 0.542 521 P HA -0.102 nan 4.420 nan 0.000 0.221 521 P C 1.112 178.130 177.300 -0.470 0.000 1.145 521 P CA 1.829 64.453 63.100 -0.792 0.000 0.795 521 P CB 0.027 31.517 31.700 -0.349 0.000 0.775 522 A N -0.683 121.992 122.820 -0.241 0.000 2.235 522 A HA -0.027 4.268 4.320 -0.041 0.000 0.208 522 A C 1.883 179.422 177.584 -0.074 0.000 1.172 522 A CA 0.750 52.717 52.037 -0.117 0.000 0.786 522 A CB -0.810 18.141 19.000 -0.081 0.000 0.804 522 A HN 0.104 nan 8.150 nan 0.000 0.479 523 N N -1.091 117.550 118.700 -0.097 0.000 2.250 523 N HA 0.066 4.781 4.740 -0.041 0.000 0.190 523 N C 1.047 176.619 175.510 0.103 0.000 1.116 523 N CA 0.228 53.279 53.050 0.002 0.000 0.881 523 N CB -0.286 38.208 38.487 0.011 0.000 1.006 523 N HN 0.720 nan 8.380 nan 0.000 0.491 524 H N 0.219 119.301 119.070 0.021 0.000 2.352 524 H HA -0.058 4.474 4.556 -0.041 0.000 0.299 524 H C 1.739 177.093 175.328 0.043 0.000 1.097 524 H CA 1.418 57.483 56.048 0.029 0.000 1.311 524 H CB 0.437 30.217 29.762 0.029 0.000 1.377 524 H HN 0.220 nan 8.280 nan 0.000 0.504 525 A N 0.749 123.674 122.820 0.174 0.000 1.903 525 A HA 0.012 4.308 4.320 -0.041 0.000 0.213 525 A C -0.396 177.233 177.584 0.076 0.000 1.185 525 A CA 0.345 52.449 52.037 0.111 0.000 0.628 525 A CB -0.872 18.182 19.000 0.090 0.000 0.830 525 A HN 0.250 nan 8.150 nan 0.000 0.446 526 P HA -0.081 nan 4.420 nan 0.000 0.221 526 P C 1.259 178.596 177.300 0.063 0.000 1.150 526 P CA 0.528 63.662 63.100 0.057 0.000 0.800 526 P CB 0.075 31.806 31.700 0.051 0.000 0.787 527 L N -0.737 120.531 121.223 0.074 0.000 2.156 527 L HA -0.005 4.311 4.340 -0.041 0.000 0.208 527 L C 2.467 179.377 176.870 0.066 0.000 1.095 527 L CA 1.599 56.482 54.840 0.073 0.000 0.770 527 L CB -1.217 40.891 42.059 0.082 0.000 0.914 527 L HN -0.108 nan 8.230 nan 0.000 0.439 528 R N -0.166 120.373 120.500 0.067 0.000 2.073 528 R HA -0.144 4.172 4.340 -0.041 0.000 0.229 528 R C 1.962 178.290 176.300 0.047 0.000 1.120 528 R CA 1.331 57.465 56.100 0.057 0.000 0.967 528 R CB -0.002 30.334 30.300 0.060 0.000 0.862 528 R HN 0.345 nan 8.270 nan 0.000 0.436 529 E N -0.136 120.090 120.200 0.043 0.000 2.268 529 E HA -0.147 4.178 4.350 -0.041 0.000 0.195 529 E C 1.538 178.159 176.600 0.036 0.000 0.995 529 E CA 0.679 57.099 56.400 0.033 0.000 0.836 529 E CB 0.233 29.950 29.700 0.028 0.000 0.763 529 E HN 0.305 nan 8.360 nan 0.000 0.491 530 Q N -0.795 119.033 119.800 0.048 0.000 2.360 530 Q HA 0.096 4.412 4.340 -0.041 0.000 0.202 530 Q C 0.885 176.926 176.000 0.068 0.000 0.915 530 Q CA 0.666 56.501 55.803 0.053 0.000 0.943 530 Q CB 1.185 29.960 28.738 0.062 0.000 1.064 530 Q HN 0.359 nan 8.270 nan 0.000 0.511 531 G N 0.752 109.591 108.800 0.065 0.000 2.182 531 G HA2 -0.322 3.614 3.960 -0.041 0.000 0.248 531 G HA3 -0.322 3.614 3.960 -0.041 0.000 0.248 531 G C 0.908 175.864 174.900 0.093 0.000 1.042 531 G CA 0.527 45.673 45.100 0.078 0.000 0.775 531 G HN 0.453 nan 8.290 nan 0.000 0.501 532 A N -0.408 122.458 122.820 0.075 0.000 1.898 532 A HA 0.248 4.544 4.320 -0.041 0.000 0.216 532 A C 2.379 179.991 177.584 0.047 0.000 1.181 532 A CA 1.760 53.833 52.037 0.060 0.000 0.620 532 A CB -0.241 18.794 19.000 0.057 0.000 0.819 532 A HN 0.782 nan 8.150 nan 0.000 0.442 533 I N -0.137 120.462 120.570 0.050 0.000 2.179 533 I HA -0.157 3.989 4.170 -0.041 0.000 0.242 533 I C -0.624 175.518 176.117 0.041 0.000 1.088 533 I CA 1.301 62.629 61.300 0.047 0.000 1.357 533 I CB -1.140 36.889 38.000 0.048 0.000 1.051 533 I HN 0.198 nan 8.210 nan 0.000 0.409 534 P HA -0.147 nan 4.420 nan 0.000 0.218 534 P C 1.466 178.784 177.300 0.031 0.000 1.149 534 P CA 1.107 64.228 63.100 0.036 0.000 0.817 534 P CB 0.018 31.744 31.700 0.044 0.000 0.785 535 R N -0.006 120.509 120.500 0.025 0.000 2.090 535 R HA 0.030 4.346 4.340 -0.041 0.000 0.228 535 R C 2.065 178.351 176.300 -0.024 0.000 1.110 535 R CA 1.326 57.407 56.100 -0.033 0.000 0.973 535 R CB -1.589 28.613 30.300 -0.163 0.000 0.869 535 R HN 0.123 nan 8.270 nan 0.000 0.440 536 L N -0.402 120.825 121.223 0.005 0.000 2.141 536 L HA -0.115 4.201 4.340 -0.041 0.000 0.209 536 L C 2.145 179.044 176.870 0.049 0.000 1.094 536 L CA 0.828 55.689 54.840 0.035 0.000 0.763 536 L CB -0.294 41.796 42.059 0.052 0.000 0.908 536 L HN 0.031 nan 8.230 nan 0.000 0.437 537 V N -0.488 119.447 119.914 0.034 0.000 2.379 537 V HA -0.294 3.802 4.120 -0.041 0.000 0.245 537 V C 2.411 178.513 176.094 0.015 0.000 1.044 537 V CA 1.774 64.081 62.300 0.012 0.000 1.036 537 V CB -0.387 31.428 31.823 -0.014 0.000 0.664 537 V HN 0.522 nan 8.190 nan 0.000 0.453 538 Q N -0.287 119.527 119.800 0.022 0.000 2.084 538 Q HA -0.180 4.135 4.340 -0.041 0.000 0.202 538 Q C 2.246 178.284 176.000 0.064 0.000 0.978 538 Q CA 1.726 57.549 55.803 0.033 0.000 0.844 538 Q CB -0.128 28.627 28.738 0.027 0.000 0.898 538 Q HN 0.590 nan 8.270 nan 0.000 0.426 539 L N 0.286 121.554 121.223 0.074 0.000 2.093 539 L HA -0.179 4.137 4.340 -0.041 0.000 0.208 539 L C 2.413 179.366 176.870 0.139 0.000 1.085 539 L CA 0.438 55.364 54.840 0.143 0.000 0.755 539 L CB -0.379 41.769 42.059 0.148 0.000 0.904 539 L HN 0.348 nan 8.230 nan 0.000 0.435 540 L N -0.656 120.625 121.223 0.096 0.000 2.027 540 L HA -0.124 4.191 4.340 -0.041 0.000 0.206 540 L C 2.343 179.267 176.870 0.089 0.000 1.074 540 L CA 1.706 56.597 54.840 0.085 0.000 0.745 540 L CB -0.453 41.648 42.059 0.071 0.000 0.898 540 L HN -0.078 nan 8.230 nan 0.000 0.433 541 V N 0.219 120.173 119.914 0.067 0.000 2.261 541 V HA -0.229 3.866 4.120 -0.041 0.000 0.246 541 V C 2.823 178.977 176.094 0.100 0.000 1.047 541 V CA 1.753 64.101 62.300 0.079 0.000 1.015 541 V CB -0.884 30.961 31.823 0.036 0.000 0.642 541 V HN 0.416 nan 8.190 nan 0.000 0.446 542 R N 0.527 121.082 120.500 0.092 0.000 2.096 542 R HA -0.039 4.276 4.340 -0.041 0.000 0.235 542 R C 2.314 178.663 176.300 0.081 0.000 1.127 542 R CA 1.549 57.706 56.100 0.094 0.000 0.968 542 R CB -1.291 29.087 30.300 0.131 0.000 0.861 542 R HN 0.557 nan 8.270 nan 0.000 0.440 543 A N 0.153 123.023 122.820 0.084 0.000 1.929 543 A HA -0.173 4.122 4.320 -0.041 0.000 0.216 543 A C 2.057 179.657 177.584 0.027 0.000 1.176 543 A CA 1.613 53.655 52.037 0.008 0.000 0.628 543 A CB -0.587 18.400 19.000 -0.022 0.000 0.816 543 A HN 0.398 nan 8.150 nan 0.000 0.444 544 H N -0.115 118.946 119.070 -0.015 0.000 2.389 544 H HA -0.013 4.518 4.556 -0.041 0.000 0.299 544 H C 1.989 177.309 175.328 -0.014 0.000 1.081 544 H CA 2.011 58.052 56.048 -0.012 0.000 1.345 544 H CB -0.189 29.575 29.762 0.002 0.000 1.393 544 H HN 0.551 nan 8.280 nan 0.000 0.520 545 Q N -0.647 119.083 119.800 -0.116 0.000 2.224 545 Q HA -0.117 4.199 4.340 -0.041 0.000 0.203 545 Q C 1.432 177.357 176.000 -0.125 0.000 0.970 545 Q CA 1.363 57.076 55.803 -0.150 0.000 0.865 545 Q CB 0.143 28.854 28.738 -0.044 0.000 0.922 545 Q HN 0.516 nan 8.270 nan 0.000 0.445 546 D N -0.678 119.669 120.400 -0.088 0.000 2.249 546 D HA -0.062 4.554 4.640 -0.041 0.000 0.205 546 D C 1.339 177.579 176.300 -0.101 0.000 0.962 546 D CA 0.945 54.900 54.000 -0.075 0.000 0.860 546 D CB 0.276 41.040 40.800 -0.059 0.000 0.955 546 D HN 0.026 nan 8.370 nan 0.000 0.505 547 T N -0.212 114.265 114.554 -0.128 0.000 3.023 547 T HA -0.034 4.291 4.350 -0.041 0.000 0.266 547 T C 1.616 176.231 174.700 -0.143 0.000 1.093 547 T CA 0.556 62.585 62.100 -0.118 0.000 1.129 547 T CB 0.104 68.930 68.868 -0.070 0.000 0.899 547 T HN 0.130 nan 8.240 nan 0.000 0.491 548 Q N 1.161 120.835 119.800 -0.211 0.000 2.212 548 Q HA 0.045 4.360 4.340 -0.041 0.000 0.199 548 Q C 2.447 178.380 176.000 -0.111 0.000 0.950 548 Q CA 0.774 56.464 55.803 -0.187 0.000 0.863 548 Q CB -0.132 28.449 28.738 -0.261 0.000 0.944 548 Q HN 0.657 nan 8.270 nan 0.000 0.465 549 R N -0.492 119.952 120.500 -0.094 0.000 2.200 549 R HA 0.123 4.438 4.340 -0.041 0.000 0.208 549 R C 1.646 177.916 176.300 -0.051 0.000 1.033 549 R CA 0.913 56.976 56.100 -0.061 0.000 1.000 549 R CB -0.299 29.972 30.300 -0.048 0.000 0.906 549 R HN -0.030 nan 8.270 nan 0.000 0.462 550 R N 1.214 121.677 120.500 -0.060 0.000 2.480 550 R HA 0.181 4.497 4.340 -0.041 0.000 0.277 550 R C 0.938 177.209 176.300 -0.049 0.000 1.008 550 R CA 0.481 56.550 56.100 -0.052 0.000 1.090 550 R CB -0.706 29.557 30.300 -0.062 0.000 1.234 550 R HN 0.348 nan 8.270 nan 0.000 0.549 551 T N -0.929 113.596 114.554 -0.048 0.000 3.038 551 T HA 0.089 4.414 4.350 -0.041 0.000 0.244 551 T C 1.008 175.690 174.700 -0.030 0.000 1.016 551 T CA 1.055 63.132 62.100 -0.039 0.000 1.098 551 T CB 0.307 69.149 68.868 -0.043 0.000 0.954 551 T HN 0.629 nan 8.240 nan 0.000 0.469 560 F N 0.289 120.219 119.950 -0.033 0.000 2.422 560 F HA 0.665 5.171 4.527 -0.035 0.000 0.333 560 F C 0.098 175.879 175.800 -0.031 0.000 1.095 560 F CA -0.700 57.276 58.000 -0.040 0.000 1.038 560 F CB 2.059 41.047 39.000 -0.019 0.000 1.156 560 F HN 0.236 nan 8.300 nan 0.000 0.483 561 V N 2.057 122.043 119.914 0.120 0.000 2.409 561 V HA 0.267 4.363 4.120 -0.041 0.000 0.290 561 V C -0.150 176.050 176.094 0.176 0.000 1.017 561 V CA -1.187 61.175 62.300 0.102 0.000 0.841 561 V CB 1.020 32.843 31.823 0.000 0.000 1.003 561 V HN 0.882 nan 8.190 nan 0.000 0.426 562 E N 3.376 123.701 120.200 0.208 0.000 2.722 562 E HA -0.282 4.043 4.350 -0.041 0.000 0.265 562 E C 1.251 177.958 176.600 0.177 0.000 1.081 562 E CA 0.740 57.264 56.400 0.206 0.000 0.781 562 E CB -1.174 28.724 29.700 0.330 0.000 1.372 562 E HN 1.550 nan 8.360 nan 0.000 0.423 563 G N -1.653 107.249 108.800 0.169 0.000 2.176 563 G HA2 -0.306 3.630 3.960 -0.041 0.000 0.253 563 G HA3 -0.306 3.630 3.960 -0.041 0.000 0.253 563 G C 0.166 175.258 174.900 0.320 0.000 0.979 563 G CA 0.153 45.345 45.100 0.153 0.000 0.641 563 G HN 0.397 nan 8.290 nan 0.000 0.530 564 V N 0.693 120.769 119.914 0.270 0.000 2.540 564 V HA 0.586 4.681 4.120 -0.041 0.000 0.302 564 V C 0.654 176.708 176.094 -0.066 0.000 1.035 564 V CA -1.074 61.309 62.300 0.139 0.000 0.873 564 V CB 1.726 33.584 31.823 0.057 0.000 0.992 564 V HN 0.355 nan 8.190 nan 0.000 0.428 565 R N 3.467 123.855 120.500 -0.185 0.000 2.441 565 R HA 0.328 4.644 4.340 -0.041 0.000 0.284 565 R C 0.984 177.100 176.300 -0.306 0.000 1.070 565 R CA -0.591 55.292 56.100 -0.363 0.000 1.047 565 R CB 0.639 30.681 30.300 -0.430 0.000 1.016 565 R HN 0.576 nan 8.270 nan 0.000 0.477 566 M N 1.770 121.178 119.600 -0.320 0.000 2.549 566 M HA -0.082 4.373 4.480 -0.041 0.000 0.260 566 M C 0.945 177.133 176.300 -0.186 0.000 1.076 566 M CA 1.427 56.538 55.300 -0.315 0.000 1.090 566 M CB -0.494 31.938 32.600 -0.280 0.000 1.418 566 M HN 0.555 nan 8.290 nan 0.000 0.486 567 E N 0.377 120.485 120.200 -0.154 0.000 2.208 567 E HA -0.119 4.207 4.350 -0.041 0.000 0.193 567 E C 1.792 178.353 176.600 -0.065 0.000 0.988 567 E CA 0.838 57.186 56.400 -0.086 0.000 0.828 567 E CB -0.059 29.587 29.700 -0.091 0.000 0.763 567 E HN 0.558 nan 8.360 nan 0.000 0.478 568 E N -0.062 120.085 120.200 -0.089 0.000 2.158 568 E HA -0.081 4.245 4.350 -0.041 0.000 0.191 568 E C 1.544 178.131 176.600 -0.022 0.000 0.982 568 E CA 0.451 56.825 56.400 -0.043 0.000 0.823 568 E CB 0.111 29.790 29.700 -0.035 0.000 0.766 568 E HN 0.208 nan 8.360 nan 0.000 0.468 569 I N 0.702 121.233 120.570 -0.063 0.000 2.500 569 I HA -0.143 4.003 4.170 -0.041 0.000 0.252 569 I C 2.285 178.413 176.117 0.019 0.000 1.142 569 I CA 0.786 62.074 61.300 -0.020 0.000 1.451 569 I CB -0.795 37.135 38.000 -0.116 0.000 1.093 569 I HN -0.011 nan 8.210 nan 0.000 0.430 570 V N 0.907 120.824 119.914 0.004 0.000 2.307 570 V HA -0.245 3.850 4.120 -0.041 0.000 0.245 570 V C 2.584 178.702 176.094 0.040 0.000 1.045 570 V CA 1.891 64.212 62.300 0.035 0.000 1.024 570 V CB -0.565 31.283 31.823 0.042 0.000 0.651 570 V HN 0.430 nan 8.190 nan 0.000 0.449 571 E N 0.289 120.505 120.200 0.026 0.000 2.051 571 E HA -0.179 4.147 4.350 -0.041 0.000 0.192 571 E C 2.265 178.892 176.600 0.044 0.000 0.991 571 E CA 1.456 57.874 56.400 0.029 0.000 0.799 571 E CB -0.446 29.267 29.700 0.022 0.000 0.748 571 E HN 0.558 nan 8.360 nan 0.000 0.449 572 G N 0.579 109.408 108.800 0.049 0.000 2.433 572 G HA2 -0.295 3.641 3.960 -0.041 0.000 0.216 572 G HA3 -0.295 3.641 3.960 -0.041 0.000 0.216 572 G C 1.759 176.702 174.900 0.071 0.000 1.186 572 G CA 1.029 46.167 45.100 0.063 0.000 0.779 572 G HN 0.406 nan 8.290 nan 0.000 0.543 573 C N 0.495 119.842 119.300 0.078 0.000 2.440 573 C HA 0.023 4.458 4.460 -0.041 0.000 0.278 573 C C 3.237 178.289 174.990 0.103 0.000 1.295 573 C CA 1.466 60.538 59.018 0.090 0.000 1.738 573 C CB -0.963 26.836 27.740 0.098 0.000 1.987 573 C HN 0.433 nan 8.230 nan 0.000 0.492 574 T N 0.457 115.071 114.554 0.100 0.000 2.867 574 T HA -0.021 4.305 4.350 -0.041 0.000 0.268 574 T C 1.965 176.689 174.700 0.040 0.000 1.057 574 T CA 1.596 63.752 62.100 0.095 0.000 1.136 574 T CB -0.436 68.469 68.868 0.062 0.000 0.874 574 T HN 0.689 nan 8.240 nan 0.000 0.466 575 G N 0.865 109.700 108.800 0.058 0.000 2.421 575 G HA2 0.068 4.004 3.960 -0.041 0.000 0.217 575 G HA3 0.068 4.004 3.960 -0.041 0.000 0.217 575 G C 1.735 176.679 174.900 0.074 0.000 1.143 575 G CA 0.725 45.876 45.100 0.084 0.000 0.784 575 G HN 0.558 nan 8.290 nan 0.000 0.541 576 A N 0.439 123.296 122.820 0.062 0.000 1.929 576 A HA 0.244 4.539 4.320 -0.041 0.000 0.216 576 A C 2.344 179.950 177.584 0.037 0.000 1.176 576 A CA 0.783 52.849 52.037 0.047 0.000 0.628 576 A CB -0.277 18.757 19.000 0.056 0.000 0.816 576 A HN 0.325 nan 8.150 nan 0.000 0.444 577 L N -1.279 119.981 121.223 0.060 0.000 2.156 577 L HA -0.147 4.169 4.340 -0.041 0.000 0.208 577 L C 2.609 179.489 176.870 0.018 0.000 1.095 577 L CA 1.371 56.248 54.840 0.063 0.000 0.770 577 L CB -0.555 41.598 42.059 0.156 0.000 0.914 577 L HN 0.605 nan 8.230 nan 0.000 0.439 578 H N 0.627 119.623 119.070 -0.123 0.000 2.353 578 H HA -0.154 4.377 4.556 -0.041 0.000 0.300 578 H C 2.014 177.263 175.328 -0.132 0.000 1.090 578 H CA 1.740 57.675 56.048 -0.188 0.000 1.327 578 H CB 0.125 29.760 29.762 -0.211 0.000 1.383 578 H HN 0.076 nan 8.280 nan 0.000 0.508 579 I N -0.205 120.224 120.570 -0.236 0.000 2.406 579 I HA -0.149 3.997 4.170 -0.041 0.000 0.249 579 I C 2.114 178.127 176.117 -0.173 0.000 1.122 579 I CA 0.378 61.528 61.300 -0.250 0.000 1.431 579 I CB -0.994 36.922 38.000 -0.140 0.000 1.087 579 I HN 0.262 nan 8.210 nan 0.000 0.424 580 L N 1.345 122.493 121.223 -0.125 0.000 2.131 580 L HA -0.023 4.293 4.340 -0.041 0.000 0.210 580 L C 2.403 179.136 176.870 -0.228 0.000 1.092 580 L CA 1.423 56.164 54.840 -0.165 0.000 0.759 580 L CB -1.544 40.481 42.059 -0.056 0.000 0.903 580 L HN 0.191 nan 8.230 nan 0.000 0.435 581 A N -1.150 121.584 122.820 -0.143 0.000 2.263 581 A HA -0.117 4.178 4.320 -0.041 0.000 0.205 581 A C 2.229 179.730 177.584 -0.139 0.000 1.226 581 A CA 0.494 52.465 52.037 -0.111 0.000 0.810 581 A CB -0.621 18.345 19.000 -0.057 0.000 0.784 581 A HN 0.357 nan 8.150 nan 0.000 0.486 582 R N -0.430 119.936 120.500 -0.223 0.000 2.200 582 R HA 0.013 4.329 4.340 -0.041 0.000 0.208 582 R C -0.022 176.189 176.300 -0.149 0.000 1.033 582 R CA 0.585 56.591 56.100 -0.158 0.000 1.000 582 R CB 0.017 30.258 30.300 -0.097 0.000 0.906 582 R HN 0.605 nan 8.270 nan 0.000 0.462 583 D N -0.511 119.725 120.400 -0.274 0.000 2.210 583 D HA 0.013 4.629 4.640 -0.041 0.000 0.249 583 D C 1.001 177.225 176.300 -0.127 0.000 1.078 583 D CA -0.194 53.719 54.000 -0.145 0.000 0.875 583 D CB 1.845 42.555 40.800 -0.150 0.000 1.175 583 D HN -0.263 nan 8.370 nan 0.000 0.440 584 V N 4.642 124.454 119.914 -0.171 0.000 2.407 584 V HA -0.216 3.879 4.120 -0.041 0.000 0.248 584 V C 1.543 177.510 176.094 -0.211 0.000 1.055 584 V CA 1.774 63.940 62.300 -0.224 0.000 1.049 584 V CB -0.656 30.993 31.823 -0.290 0.000 0.662 584 V HN 0.682 nan 8.190 nan 0.000 0.455 585 H N -0.084 118.986 119.070 0.001 0.000 2.428 585 H HA -0.007 4.524 4.556 -0.041 0.000 0.296 585 H C 2.226 177.553 175.328 -0.001 0.000 1.062 585 H CA 1.491 57.542 56.048 0.005 0.000 1.350 585 H CB -0.387 29.383 29.762 0.014 0.000 1.403 585 H HN 0.441 nan 8.280 nan 0.000 0.533 586 N N 1.127 119.872 118.700 0.074 0.000 2.244 586 N HA -0.086 4.630 4.740 -0.041 0.000 0.183 586 N C 1.980 177.501 175.510 0.018 0.000 1.016 586 N CA 0.550 53.616 53.050 0.027 0.000 0.866 586 N CB -0.168 38.292 38.487 -0.045 0.000 0.980 586 N HN 0.351 nan 8.380 nan 0.000 0.430 587 R N 0.235 120.733 120.500 -0.003 0.000 2.115 587 R HA 0.074 4.390 4.340 -0.041 0.000 0.230 587 R C 2.047 178.363 176.300 0.028 0.000 1.111 587 R CA 0.667 56.770 56.100 0.006 0.000 0.976 587 R CB -0.198 30.091 30.300 -0.020 0.000 0.870 587 R HN 0.264 nan 8.270 nan 0.000 0.445 588 I N -0.018 120.572 120.570 0.034 0.000 2.286 588 I HA -0.222 3.923 4.170 -0.041 0.000 0.245 588 I C 2.212 178.356 176.117 0.044 0.000 1.104 588 I CA 0.913 62.239 61.300 0.043 0.000 1.397 588 I CB -0.126 37.912 38.000 0.063 0.000 1.072 588 I HN -0.070 nan 8.210 nan 0.000 0.417 589 V N 1.141 121.086 119.914 0.051 0.000 2.295 589 V HA -0.283 3.813 4.120 -0.041 0.000 0.246 589 V C 2.324 178.442 176.094 0.040 0.000 1.049 589 V CA 1.927 64.254 62.300 0.044 0.000 1.024 589 V CB -0.410 31.442 31.823 0.048 0.000 0.648 589 V HN 0.312 nan 8.190 nan 0.000 0.447 590 I N -0.209 120.393 120.570 0.054 0.000 2.163 590 I HA -0.291 3.854 4.170 -0.041 0.000 0.243 590 I C 2.755 178.906 176.117 0.057 0.000 1.085 590 I CA 2.076 63.422 61.300 0.076 0.000 1.347 590 I CB -0.421 37.660 38.000 0.135 0.000 1.044 590 I HN 0.233 nan 8.210 nan 0.000 0.408 591 R N 1.153 121.687 120.500 0.058 0.000 2.092 591 R HA -0.121 4.195 4.340 -0.041 0.000 0.231 591 R C 2.264 178.571 176.300 0.011 0.000 1.119 591 R CA 1.574 57.698 56.100 0.039 0.000 0.970 591 R CB -0.533 29.791 30.300 0.041 0.000 0.864 591 R HN 0.394 nan 8.270 nan 0.000 0.440 592 G N 0.561 109.369 108.800 0.014 0.000 2.509 592 G HA2 -0.165 3.770 3.960 -0.041 0.000 0.218 592 G HA3 -0.165 3.770 3.960 -0.041 0.000 0.218 592 G C 1.218 176.114 174.900 -0.006 0.000 1.124 592 G CA 0.281 45.385 45.100 0.007 0.000 0.776 592 G HN 0.275 nan 8.290 nan 0.000 0.547 593 L N -0.158 121.057 121.223 -0.014 0.000 2.599 593 L HA 0.179 4.495 4.340 -0.041 0.000 0.230 593 L C 1.102 177.936 176.870 -0.060 0.000 1.141 593 L CA -0.024 54.797 54.840 -0.031 0.000 0.877 593 L CB -0.316 41.724 42.059 -0.032 0.000 1.009 593 L HN 0.266 nan 8.230 nan 0.000 0.447 594 N N -0.582 118.082 118.700 -0.059 0.000 2.738 594 N HA -0.197 4.519 4.740 -0.041 0.000 0.249 594 N C 0.561 175.985 175.510 -0.144 0.000 1.047 594 N CA 0.993 53.999 53.050 -0.073 0.000 0.707 594 N CB -0.934 37.522 38.487 -0.050 0.000 0.937 594 N HN 0.161 nan 8.380 nan 0.000 0.545 595 T N -0.563 113.859 114.554 -0.220 0.000 3.044 595 T HA 0.242 4.568 4.350 -0.041 0.000 0.250 595 T C 1.872 176.208 174.700 -0.607 0.000 1.081 595 T CA 0.333 62.135 62.100 -0.497 0.000 1.040 595 T CB 0.142 68.623 68.868 -0.646 0.000 0.962 595 T HN 0.345 nan 8.240 nan 0.000 0.506 596 I N 1.804 122.250 120.570 -0.207 0.000 2.226 596 I HA -0.100 4.045 4.170 -0.041 0.000 0.245 596 I C -0.807 175.302 176.117 -0.014 0.000 1.100 596 I CA 1.294 62.595 61.300 0.001 0.000 1.374 596 I CB -0.998 37.040 38.000 0.063 0.000 1.057 596 I HN 0.139 nan 8.210 nan 0.000 0.413 597 P HA -0.166 nan 4.420 nan 0.000 0.218 597 P C 1.709 178.995 177.300 -0.025 0.000 1.149 597 P CA 1.028 64.117 63.100 -0.018 0.000 0.817 597 P CB 0.064 31.750 31.700 -0.024 0.000 0.785 598 L N -1.722 119.427 121.223 -0.122 0.000 2.044 598 L HA -0.050 4.266 4.340 -0.041 0.000 0.205 598 L C 1.981 178.813 176.870 -0.062 0.000 1.075 598 L CA 1.914 56.663 54.840 -0.152 0.000 0.747 598 L CB -1.473 40.415 42.059 -0.284 0.000 0.903 598 L HN -0.176 nan 8.230 nan 0.000 0.435 599 F N -0.419 119.489 119.950 -0.070 0.000 2.202 599 F HA -0.170 4.332 4.527 -0.041 0.000 0.301 599 F C 2.507 178.265 175.800 -0.070 0.000 1.082 599 F CA 1.315 59.266 58.000 -0.082 0.000 1.313 599 F CB -1.369 37.587 39.000 -0.073 0.000 1.024 599 F HN -0.042 nan 8.300 nan 0.000 0.495 600 V N -0.622 119.387 119.914 0.158 0.000 2.453 600 V HA -0.211 3.884 4.120 -0.041 0.000 0.247 600 V C 2.376 178.555 176.094 0.141 0.000 1.048 600 V CA 1.392 63.751 62.300 0.098 0.000 1.049 600 V CB -0.537 31.346 31.823 0.100 0.000 0.672 600 V HN 0.279 nan 8.190 nan 0.000 0.457 601 Q N -0.263 119.632 119.800 0.159 0.000 2.224 601 Q HA -0.034 4.282 4.340 -0.041 0.000 0.203 601 Q C 2.113 178.229 176.000 0.192 0.000 0.970 601 Q CA 1.158 57.103 55.803 0.235 0.000 0.865 601 Q CB -0.168 28.646 28.738 0.127 0.000 0.922 601 Q HN 0.546 nan 8.270 nan 0.000 0.445 602 L N 0.361 121.612 121.223 0.046 0.000 2.610 602 L HA -0.048 4.267 4.340 -0.041 0.000 0.232 602 L C 1.865 178.740 176.870 0.008 0.000 1.149 602 L CA 0.162 55.004 54.840 0.003 0.000 0.872 602 L CB -0.196 41.850 42.059 -0.022 0.000 0.992 602 L HN 0.156 nan 8.230 nan 0.000 0.447 603 L N -1.919 119.284 121.223 -0.033 0.000 2.418 603 L HA -0.102 4.214 4.340 -0.041 0.000 0.218 603 L C 1.680 178.438 176.870 -0.186 0.000 1.125 603 L CA 0.689 55.433 54.840 -0.160 0.000 0.835 603 L CB -0.233 41.651 42.059 -0.290 0.000 0.953 603 L HN 0.214 nan 8.230 nan 0.000 0.454 604 Y N -0.135 120.172 120.300 0.012 0.000 2.490 604 Y HA 0.049 4.575 4.550 -0.041 0.000 0.281 604 Y C 1.763 177.678 175.900 0.024 0.000 1.174 604 Y CA -0.453 57.658 58.100 0.020 0.000 1.295 604 Y CB -0.010 38.466 38.460 0.027 0.000 1.062 604 Y HN 0.085 nan 8.280 nan 0.000 0.522 605 S N 1.689 117.479 115.700 0.150 0.000 2.562 605 S HA 0.050 4.496 4.470 -0.041 0.000 0.281 605 S C -1.457 173.183 174.600 0.068 0.000 1.333 605 S CA -1.157 57.106 58.200 0.105 0.000 1.052 605 S CB 1.035 64.283 63.200 0.080 0.000 0.884 605 S HN 0.123 nan 8.310 nan 0.000 0.506 606 P HA 0.075 nan 4.420 nan 0.000 0.230 606 P C 0.061 177.375 177.300 0.023 0.000 1.158 606 P CA 0.540 63.662 63.100 0.037 0.000 0.769 606 P CB -0.102 31.616 31.700 0.029 0.000 0.807 607 I N 1.026 121.609 120.570 0.021 0.000 2.337 607 I HA 0.099 4.244 4.170 -0.041 0.000 0.291 607 I C 1.962 178.086 176.117 0.011 0.000 1.046 607 I CA -0.160 61.148 61.300 0.012 0.000 1.324 607 I CB 0.645 38.649 38.000 0.008 0.000 1.409 607 I HN -0.127 nan 8.210 nan 0.000 0.494 608 E N 4.491 124.697 120.200 0.009 0.000 2.085 608 E HA -0.243 4.082 4.350 -0.041 0.000 0.194 608 E C 1.425 178.030 176.600 0.008 0.000 0.994 608 E CA 1.479 57.884 56.400 0.007 0.000 0.801 608 E CB 0.214 29.918 29.700 0.007 0.000 0.743 608 E HN 0.626 nan 8.360 nan 0.000 0.453 609 N N 0.230 118.937 118.700 0.012 0.000 2.309 609 N HA -0.087 4.628 4.740 -0.041 0.000 0.182 609 N C 1.701 177.218 175.510 0.012 0.000 1.018 609 N CA 0.733 53.793 53.050 0.018 0.000 0.876 609 N CB -0.024 38.476 38.487 0.022 0.000 0.972 609 N HN 0.300 nan 8.380 nan 0.000 0.434 610 I N 0.682 121.255 120.570 0.005 0.000 2.500 610 I HA -0.166 3.979 4.170 -0.041 0.000 0.252 610 I C 1.933 178.036 176.117 -0.022 0.000 1.142 610 I CA 0.668 61.967 61.300 -0.003 0.000 1.451 610 I CB -0.086 37.919 38.000 0.008 0.000 1.093 610 I HN 0.107 nan 8.210 nan 0.000 0.430 611 Q N 0.307 120.097 119.800 -0.017 0.000 2.167 611 Q HA -0.192 4.123 4.340 -0.041 0.000 0.202 611 Q C 2.283 178.263 176.000 -0.034 0.000 0.970 611 Q CA 1.136 56.919 55.803 -0.034 0.000 0.855 611 Q CB -0.126 28.596 28.738 -0.027 0.000 0.911 611 Q HN 0.390 nan 8.270 nan 0.000 0.438 612 R N 0.593 121.092 120.500 -0.001 0.000 2.066 612 R HA -0.129 4.187 4.340 -0.041 0.000 0.232 612 R C 2.285 178.568 176.300 -0.029 0.000 1.131 612 R CA 1.661 57.797 56.100 0.060 0.000 0.955 612 R CB -0.097 30.250 30.300 0.079 0.000 0.851 612 R HN 0.293 nan 8.270 nan 0.000 0.432 613 V N -2.112 117.745 119.914 -0.094 0.000 2.667 613 V HA 0.077 4.173 4.120 -0.041 0.000 0.252 613 V C 2.133 177.997 176.094 -0.383 0.000 1.065 613 V CA 1.418 63.581 62.300 -0.228 0.000 1.083 613 V CB -0.573 31.204 31.823 -0.077 0.000 0.692 613 V HN 0.329 nan 8.190 nan 0.000 0.468 614 A N 0.907 123.564 122.820 -0.273 0.000 1.872 614 A HA 0.261 4.557 4.320 -0.041 0.000 0.214 614 A C 2.423 179.779 177.584 -0.380 0.000 1.187 614 A CA 1.762 53.612 52.037 -0.312 0.000 0.614 614 A CB -0.947 17.972 19.000 -0.134 0.000 0.826 614 A HN 0.842 nan 8.150 nan 0.000 0.442 615 A N -0.534 122.116 122.820 -0.285 0.000 2.015 615 A HA 0.212 4.507 4.320 -0.041 0.000 0.219 615 A C 2.252 179.544 177.584 -0.487 0.000 1.163 615 A CA 1.652 53.542 52.037 -0.245 0.000 0.646 615 A CB -1.044 17.916 19.000 -0.067 0.000 0.806 615 A HN 0.640 nan 8.150 nan 0.000 0.448 616 G N -0.956 107.314 108.800 -0.883 0.000 2.394 616 G HA2 -0.057 3.878 3.960 -0.041 0.000 0.215 616 G HA3 -0.057 3.878 3.960 -0.041 0.000 0.215 616 G C 1.563 175.774 174.900 -1.147 0.000 1.165 616 G CA 1.055 45.124 45.100 -1.719 0.000 0.784 616 G HN 0.427 nan 8.290 nan 0.000 0.535 617 V N 0.569 119.965 119.914 -0.863 0.000 2.548 617 V HA 0.070 4.165 4.120 -0.041 0.000 0.249 617 V C 2.749 178.570 176.094 -0.456 0.000 1.055 617 V CA 1.196 63.143 62.300 -0.588 0.000 1.065 617 V CB -0.167 31.141 31.823 -0.859 0.000 0.681 617 V HN 0.377 nan 8.190 nan 0.000 0.462 618 L N -0.746 120.208 121.223 -0.449 0.000 2.201 618 L HA -0.164 4.152 4.340 -0.041 0.000 0.212 618 L C 2.683 179.454 176.870 -0.165 0.000 1.105 618 L CA 1.501 56.202 54.840 -0.232 0.000 0.775 618 L CB -0.666 41.291 42.059 -0.170 0.000 0.913 618 L HN 0.524 nan 8.230 nan 0.000 0.440 619 C N 0.120 119.284 119.300 -0.227 0.000 2.453 619 C HA -0.106 4.330 4.460 -0.041 0.000 0.277 619 C C 2.795 177.740 174.990 -0.076 0.000 1.262 619 C CA 0.712 59.652 59.018 -0.130 0.000 1.718 619 C CB -0.459 27.175 27.740 -0.177 0.000 2.031 619 C HN 0.468 nan 8.230 nan 0.000 0.480 620 E N 0.574 120.714 120.200 -0.100 0.000 2.106 620 E HA -0.094 4.232 4.350 -0.041 0.000 0.192 620 E C 2.141 178.716 176.600 -0.041 0.000 0.984 620 E CA 1.056 57.430 56.400 -0.044 0.000 0.806 620 E CB -0.475 29.207 29.700 -0.030 0.000 0.750 620 E HN 0.681 nan 8.360 nan 0.000 0.458 621 L N 0.509 121.698 121.223 -0.055 0.000 2.141 621 L HA -0.087 4.228 4.340 -0.041 0.000 0.209 621 L C 2.341 179.200 176.870 -0.017 0.000 1.094 621 L CA 0.932 55.758 54.840 -0.024 0.000 0.763 621 L CB -0.396 41.662 42.059 -0.001 0.000 0.908 621 L HN 0.020 nan 8.230 nan 0.000 0.437 622 A N 0.098 122.904 122.820 -0.024 0.000 2.248 622 A HA -0.168 4.127 4.320 -0.041 0.000 0.210 622 A C 2.186 179.763 177.584 -0.012 0.000 1.174 622 A CA 0.938 52.965 52.037 -0.017 0.000 0.750 622 A CB -0.484 18.506 19.000 -0.016 0.000 0.780 622 A HN 0.654 nan 8.150 nan 0.000 0.478 623 Q N -0.448 119.349 119.800 -0.005 0.000 2.378 623 Q HA -0.031 4.285 4.340 -0.041 0.000 0.205 623 Q C -0.767 175.227 176.000 -0.010 0.000 0.954 623 Q CA 0.655 56.459 55.803 0.002 0.000 0.901 623 Q CB -0.092 28.652 28.738 0.010 0.000 0.981 623 Q HN 0.416 nan 8.270 nan 0.000 0.483 624 D N 1.270 121.661 120.400 -0.015 0.000 2.233 624 D HA 0.093 4.709 4.640 -0.041 0.000 0.240 624 D C 0.096 176.384 176.300 -0.021 0.000 1.074 624 D CA -0.281 53.709 54.000 -0.017 0.000 0.838 624 D CB 2.045 42.836 40.800 -0.016 0.000 1.124 624 D HN -0.046 nan 8.370 nan 0.000 0.475 625 K N 1.667 122.052 120.400 -0.025 0.000 2.103 625 K HA -0.171 4.125 4.320 -0.041 0.000 0.207 625 K C 1.541 178.127 176.600 -0.023 0.000 1.048 625 K CA 1.281 57.549 56.287 -0.032 0.000 0.930 625 K CB 0.153 32.633 32.500 -0.035 0.000 0.716 625 K HN 0.336 nan 8.250 nan 0.000 0.444 626 E N -0.568 119.623 120.200 -0.015 0.000 2.110 626 E HA -0.137 4.189 4.350 -0.041 0.000 0.193 626 E C 1.696 178.292 176.600 -0.005 0.000 0.988 626 E CA 1.156 57.550 56.400 -0.009 0.000 0.804 626 E CB -0.019 29.678 29.700 -0.004 0.000 0.745 626 E HN 0.377 nan 8.360 nan 0.000 0.458 627 A N 0.931 123.749 122.820 -0.004 0.000 1.897 627 A HA 0.039 4.334 4.320 -0.041 0.000 0.215 627 A C 2.356 179.940 177.584 -0.000 0.000 1.181 627 A CA 1.469 53.508 52.037 0.003 0.000 0.620 627 A CB -0.421 18.583 19.000 0.006 0.000 0.821 627 A HN 0.294 nan 8.150 nan 0.000 0.443 628 A N -0.380 122.432 122.820 -0.013 0.000 1.933 628 A HA -0.173 4.123 4.320 -0.041 0.000 0.218 628 A C 2.006 179.578 177.584 -0.019 0.000 1.175 628 A CA 1.698 53.722 52.037 -0.021 0.000 0.628 628 A CB -0.469 18.507 19.000 -0.039 0.000 0.814 628 A HN 0.628 nan 8.150 nan 0.000 0.444 629 E N -0.287 119.902 120.200 -0.019 0.000 2.150 629 E HA -0.091 4.235 4.350 -0.041 0.000 0.193 629 E C 2.096 178.692 176.600 -0.006 0.000 0.985 629 E CA 0.816 57.207 56.400 -0.016 0.000 0.814 629 E CB -0.161 29.529 29.700 -0.016 0.000 0.752 629 E HN 0.567 nan 8.360 nan 0.000 0.466 630 A N 0.734 123.554 122.820 -0.000 0.000 1.968 630 A HA -0.081 4.215 4.320 -0.041 0.000 0.217 630 A C 2.038 179.630 177.584 0.013 0.000 1.169 630 A CA 0.679 52.720 52.037 0.007 0.000 0.638 630 A CB -0.347 18.660 19.000 0.011 0.000 0.812 630 A HN 0.242 nan 8.150 nan 0.000 0.446 631 I N -0.755 119.823 120.570 0.013 0.000 2.353 631 I HA -0.198 3.948 4.170 -0.041 0.000 0.248 631 I C 2.498 178.621 176.117 0.011 0.000 1.119 631 I CA 1.544 62.855 61.300 0.018 0.000 1.417 631 I CB -0.246 37.761 38.000 0.011 0.000 1.078 631 I HN 0.490 nan 8.210 nan 0.000 0.421 632 E N 1.524 121.725 120.200 0.002 0.000 2.106 632 E HA -0.197 4.128 4.350 -0.041 0.000 0.192 632 E C 2.177 178.781 176.600 0.006 0.000 0.984 632 E CA 1.144 57.544 56.400 -0.001 0.000 0.806 632 E CB 0.011 29.705 29.700 -0.010 0.000 0.750 632 E HN 0.464 nan 8.360 nan 0.000 0.458 633 A N 0.474 123.298 122.820 0.007 0.000 2.209 633 A HA -0.090 4.205 4.320 -0.041 0.000 0.212 633 A C 1.677 179.271 177.584 0.016 0.000 1.158 633 A CA 0.942 52.985 52.037 0.009 0.000 0.742 633 A CB -0.122 18.881 19.000 0.006 0.000 0.790 633 A HN 0.147 nan 8.150 nan 0.000 0.472 634 E N -0.960 119.253 120.200 0.022 0.000 2.474 634 E HA 0.312 4.637 4.350 -0.041 0.000 0.195 634 E C 0.937 177.566 176.600 0.048 0.000 1.039 634 E CA 0.554 56.974 56.400 0.033 0.000 0.881 634 E CB -0.190 29.532 29.700 0.037 0.000 0.970 634 E HN 0.635 nan 8.360 nan 0.000 0.486 635 G N 0.299 109.123 108.800 0.040 0.000 2.256 635 G HA2 -0.281 3.655 3.960 -0.041 0.000 0.272 635 G HA3 -0.281 3.655 3.960 -0.041 0.000 0.272 635 G C 0.786 175.721 174.900 0.059 0.000 1.076 635 G CA 0.380 45.511 45.100 0.052 0.000 0.882 635 G HN 0.423 nan 8.290 nan 0.000 0.497 636 A N -1.063 121.776 122.820 0.031 0.000 2.178 636 A HA 0.381 4.676 4.320 -0.041 0.000 0.211 636 A C 2.303 179.874 177.584 -0.021 0.000 1.157 636 A CA 2.080 54.118 52.037 0.003 0.000 0.780 636 A CB -0.222 18.777 19.000 -0.002 0.000 0.828 636 A HN 0.671 nan 8.150 nan 0.000 0.476 637 T N 0.511 115.062 114.554 -0.006 0.000 2.746 637 T HA -0.076 4.250 4.350 -0.041 0.000 0.267 637 T C 2.246 176.935 174.700 -0.019 0.000 1.039 637 T CA 1.570 63.662 62.100 -0.012 0.000 1.142 637 T CB -0.326 68.542 68.868 -0.001 0.000 0.866 637 T HN 0.572 nan 8.240 nan 0.000 0.444 638 A N 2.317 125.138 122.820 0.000 0.000 1.858 638 A HA -0.016 4.279 4.320 -0.041 0.000 0.216 638 A C 0.492 178.053 177.584 -0.039 0.000 1.190 638 A CA 1.232 53.274 52.037 0.008 0.000 0.617 638 A CB -1.484 17.550 19.000 0.058 0.000 0.827 638 A HN 0.434 nan 8.150 nan 0.000 0.443 639 P HA -0.050 nan 4.420 nan 0.000 0.222 639 P C 1.391 178.567 177.300 -0.207 0.000 1.153 639 P CA 0.766 63.710 63.100 -0.260 0.000 0.798 639 P CB -0.117 31.178 31.700 -0.674 0.000 0.796 640 L N -0.632 120.499 121.223 -0.153 0.000 2.291 640 L HA -0.051 4.265 4.340 -0.041 0.000 0.214 640 L C 2.370 179.164 176.870 -0.127 0.000 1.120 640 L CA 1.366 56.133 54.840 -0.123 0.000 0.799 640 L CB -1.169 40.840 42.059 -0.083 0.000 0.925 640 L HN -0.012 nan 8.230 nan 0.000 0.446 641 T N -1.609 112.871 114.554 -0.123 0.000 2.978 641 T HA -0.079 4.246 4.350 -0.041 0.000 0.262 641 T C 1.788 176.324 174.700 -0.274 0.000 1.063 641 T CA 0.642 62.648 62.100 -0.156 0.000 1.140 641 T CB 0.049 68.870 68.868 -0.079 0.000 0.886 641 T HN 0.161 nan 8.240 nan 0.000 0.470 642 E N 0.861 120.955 120.200 -0.177 0.000 2.216 642 E HA 0.068 4.394 4.350 -0.041 0.000 0.192 642 E C 1.557 178.059 176.600 -0.164 0.000 0.988 642 E CA 0.403 56.723 56.400 -0.133 0.000 0.834 642 E CB -0.032 29.647 29.700 -0.034 0.000 0.772 642 E HN 0.276 nan 8.360 nan 0.000 0.479 643 L N 0.768 121.890 121.223 -0.168 0.000 2.599 643 L HA 0.070 4.386 4.340 -0.041 0.000 0.230 643 L C 1.947 178.733 176.870 -0.139 0.000 1.141 643 L CA 0.470 55.235 54.840 -0.125 0.000 0.877 643 L CB -0.691 41.302 42.059 -0.110 0.000 1.009 643 L HN 0.134 nan 8.230 nan 0.000 0.447 644 L N -1.036 120.033 121.223 -0.256 0.000 2.270 644 L HA -0.095 4.221 4.340 -0.041 0.000 0.210 644 L C 1.773 178.556 176.870 -0.144 0.000 1.104 644 L CA 0.468 55.166 54.840 -0.236 0.000 0.804 644 L CB -0.093 41.768 42.059 -0.330 0.000 0.937 644 L HN 0.380 nan 8.230 nan 0.000 0.450 645 H N -1.069 117.990 119.070 -0.018 0.000 2.524 645 H HA 0.167 4.699 4.556 -0.041 0.000 0.280 645 H C 1.097 176.415 175.328 -0.017 0.000 1.018 645 H CA 0.020 56.059 56.048 -0.015 0.000 1.165 645 H CB -0.465 29.291 29.762 -0.010 0.000 1.411 645 H HN 0.245 nan 8.280 nan 0.000 0.569 646 S N 0.325 116.056 115.700 0.052 0.000 2.593 646 S HA 0.138 4.584 4.470 -0.041 0.000 0.269 646 S C 1.478 176.087 174.600 0.015 0.000 1.334 646 S CA -0.658 57.557 58.200 0.024 0.000 1.015 646 S CB 1.820 65.016 63.200 -0.007 0.000 0.912 646 S HN 0.281 nan 8.310 nan 0.000 0.541 647 R N 1.009 121.514 120.500 0.009 0.000 2.066 647 R HA -0.024 4.291 4.340 -0.041 0.000 0.232 647 R C 0.542 176.836 176.300 -0.010 0.000 1.131 647 R CA 1.300 57.401 56.100 0.002 0.000 0.955 647 R CB -0.635 29.666 30.300 0.003 0.000 0.851 647 R HN 0.746 nan 8.270 nan 0.000 0.432 648 N N 1.248 119.938 118.700 -0.016 0.000 2.442 648 N HA -0.057 4.659 4.740 -0.041 0.000 0.265 648 N C 0.293 175.773 175.510 -0.049 0.000 1.138 648 N CA 0.074 53.107 53.050 -0.029 0.000 0.956 648 N CB 1.186 39.659 38.487 -0.023 0.000 1.067 648 N HN -0.064 nan 8.380 nan 0.000 0.474 649 E N 2.094 122.257 120.200 -0.062 0.000 2.347 649 E HA 0.049 4.374 4.350 -0.041 0.000 0.196 649 E C 1.595 178.105 176.600 -0.149 0.000 1.008 649 E CA 0.873 57.221 56.400 -0.086 0.000 0.852 649 E CB -0.203 29.452 29.700 -0.075 0.000 0.783 649 E HN 0.823 nan 8.360 nan 0.000 0.505 650 G N -0.492 108.209 108.800 -0.165 0.000 2.394 650 G HA2 -0.162 3.773 3.960 -0.041 0.000 0.215 650 G HA3 -0.162 3.773 3.960 -0.041 0.000 0.215 650 G C 1.621 176.322 174.900 -0.332 0.000 1.165 650 G CA 0.732 45.651 45.100 -0.301 0.000 0.784 650 G HN 0.222 nan 8.290 nan 0.000 0.535 651 V N 1.612 121.452 119.914 -0.123 0.000 2.358 651 V HA -0.081 4.015 4.120 -0.041 0.000 0.246 651 V C 3.299 179.363 176.094 -0.050 0.000 1.047 651 V CA 1.915 64.197 62.300 -0.030 0.000 1.035 651 V CB -0.870 30.943 31.823 -0.018 0.000 0.658 651 V HN 0.434 nan 8.190 nan 0.000 0.452 652 A N -0.064 122.707 122.820 -0.081 0.000 1.933 652 A HA -0.200 4.095 4.320 -0.041 0.000 0.218 652 A C 2.391 179.926 177.584 -0.082 0.000 1.175 652 A CA 2.415 54.407 52.037 -0.074 0.000 0.628 652 A CB -0.896 18.066 19.000 -0.063 0.000 0.814 652 A HN 0.509 nan 8.150 nan 0.000 0.444 653 T N -1.096 113.370 114.554 -0.145 0.000 2.737 653 T HA -0.116 4.209 4.350 -0.041 0.000 0.265 653 T C 1.741 176.408 174.700 -0.054 0.000 1.038 653 T CA 1.640 63.649 62.100 -0.152 0.000 1.144 653 T CB -0.424 68.279 68.868 -0.276 0.000 0.866 653 T HN 0.515 nan 8.240 nan 0.000 0.434 654 Y N 1.528 121.795 120.300 -0.056 0.000 2.242 654 Y HA 0.141 4.666 4.550 -0.041 0.000 0.291 654 Y C 2.699 178.557 175.900 -0.070 0.000 1.137 654 Y CA -0.109 57.949 58.100 -0.071 0.000 1.181 654 Y CB -1.205 37.186 38.460 -0.116 0.000 0.989 654 Y HN 0.204 nan 8.280 nan 0.000 0.527 655 A N -0.112 122.757 122.820 0.082 0.000 1.930 655 A HA -0.052 4.244 4.320 -0.041 0.000 0.217 655 A C 2.484 180.073 177.584 0.009 0.000 1.175 655 A CA 1.731 53.773 52.037 0.008 0.000 0.627 655 A CB -1.060 17.915 19.000 -0.042 0.000 0.815 655 A HN 0.358 nan 8.150 nan 0.000 0.443 656 A N -0.240 122.587 122.820 0.012 0.000 1.929 656 A HA 0.258 4.554 4.320 -0.041 0.000 0.216 656 A C 2.456 180.089 177.584 0.082 0.000 1.176 656 A CA 1.744 53.795 52.037 0.023 0.000 0.628 656 A CB -0.877 18.118 19.000 -0.008 0.000 0.816 656 A HN 0.983 nan 8.150 nan 0.000 0.444 657 A N -0.422 122.454 122.820 0.094 0.000 1.930 657 A HA 0.035 4.330 4.320 -0.041 0.000 0.217 657 A C 2.166 179.847 177.584 0.163 0.000 1.175 657 A CA 1.772 53.899 52.037 0.151 0.000 0.627 657 A CB -0.739 18.349 19.000 0.146 0.000 0.815 657 A HN 0.394 nan 8.150 nan 0.000 0.443 658 V N -0.084 119.883 119.914 0.090 0.000 2.379 658 V HA -0.189 3.907 4.120 -0.041 0.000 0.245 658 V C 2.485 178.603 176.094 0.040 0.000 1.044 658 V CA 1.596 63.922 62.300 0.042 0.000 1.036 658 V CB -0.841 30.980 31.823 -0.002 0.000 0.664 658 V HN 0.540 nan 8.190 nan 0.000 0.453 659 L N -0.857 120.398 121.223 0.053 0.000 2.079 659 L HA -0.196 4.120 4.340 -0.041 0.000 0.210 659 L C 2.365 179.280 176.870 0.075 0.000 1.081 659 L CA 2.007 56.874 54.840 0.045 0.000 0.752 659 L CB -0.551 41.531 42.059 0.039 0.000 0.896 659 L HN 0.398 nan 8.230 nan 0.000 0.433 660 F N 0.738 120.681 119.950 -0.011 0.000 2.098 660 F HA -0.186 4.316 4.527 -0.041 0.000 0.294 660 F C 2.627 178.424 175.800 -0.006 0.000 1.107 660 F CA 1.270 59.266 58.000 -0.007 0.000 1.234 660 F CB -0.048 38.949 39.000 -0.004 0.000 1.002 660 F HN -0.219 nan 8.300 nan 0.000 0.472 661 R N -0.087 120.327 120.500 -0.143 0.000 2.241 661 R HA -0.096 4.219 4.340 -0.041 0.000 0.224 661 R C 2.103 178.289 176.300 -0.191 0.000 1.101 661 R CA 1.446 57.411 56.100 -0.225 0.000 0.995 661 R CB -0.285 30.002 30.300 -0.022 0.000 0.870 661 R HN 0.413 nan 8.270 nan 0.000 0.463 662 M N -0.855 118.666 119.600 -0.132 0.000 2.419 662 M HA -0.064 4.392 4.480 -0.041 0.000 0.264 662 M C 1.743 177.974 176.300 -0.115 0.000 1.082 662 M CA 1.405 56.648 55.300 -0.095 0.000 1.119 662 M CB 0.208 32.778 32.600 -0.051 0.000 1.398 662 M HN 0.221 nan 8.290 nan 0.000 0.453 663 S N -1.012 114.587 115.700 -0.168 0.000 2.811 663 S HA 0.221 4.667 4.470 -0.041 0.000 0.237 663 S C 1.022 175.493 174.600 -0.214 0.000 1.038 663 S CA 0.289 58.399 58.200 -0.151 0.000 0.881 663 S CB -0.327 62.812 63.200 -0.102 0.000 0.815 663 S HN 0.335 nan 8.310 nan 0.000 0.582 664 E N 0.000 119.973 120.200 -0.379 0.000 2.725 664 E HA 0.000 4.326 4.350 -0.041 0.000 0.291 664 E CA 0.000 56.145 56.400 -0.425 0.000 0.976 664 E CB 0.000 29.444 29.700 -0.427 0.000 0.812 664 E HN 0.000 nan 8.360 nan 0.000 0.440