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 1i7x_1_A DATA FIRST_RESID 137 DATA SEQUENCE VNLINYQDDA ELATRAIPEL TKLLNDEDQV VVNKAAVMVH QLSKKEASRH DATA SEQUENCE AIMRSPQMVS AIVRTMQNTN DVETARCTAG TLHNLSHHRE GLLAIFKSGG DATA SEQUENCE IPALVKMLGS PVDSVLFYAI TTLHNLLLHQ EGAKMAVRLA GGLQKMVALL DATA SEQUENCE NKTNVKFLAI TTDCLQILAY GNQESKLIIL ASGGPQALVN IMRTYTYEKL DATA SEQUENCE LWTTSRVLKV LSVCSSNKPA IVEAGGMQAL GLHLTDPSQR LVQNCLWTLR DATA SEQUENCE NLSDAATKQE GMEGLLGTLV QLLGSDDINV VTCAAGILSN LTCNNYKNKM DATA SEQUENCE MVCQVGGIEA LVRTVLRAGD REDITEPAIC ALRHLTSRHQ EAEMAQNAVR DATA SEQUENCE LHYGLPVVVK LLHPPSHWPL IKATVGLIRN LALCPANHAP LREQGAIPRL DATA SEQUENCE VQLLVRAHQD TQRRTSXXXX XXXFVEGVRM EEIVEGCTGA LHILARDVHN DATA SEQUENCE RIVIRGLNTI PLFVQLLYSP IENIQRVAAG VLCELAQDKE AAEAIEAEGA DATA SEQUENCE TAPLTELLHS RNEGVATYAA AVLFRMSED 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 137 V HA 0.000 nan 4.120 nan 0.000 0.244 137 V C 0.000 176.104 176.094 0.017 0.000 1.182 137 V CA 0.000 62.306 62.300 0.010 0.000 1.235 137 V CB 0.000 31.827 31.823 0.007 0.000 1.184 138 N N 0.565 119.272 118.700 0.012 0.000 2.395 138 N HA 0.228 4.969 4.740 0.003 0.000 0.175 138 N C 1.366 176.892 175.510 0.025 0.000 1.029 138 N CA 0.903 53.964 53.050 0.017 0.000 0.897 138 N CB 0.596 39.081 38.487 -0.003 0.000 0.991 138 N HN 0.425 nan 8.380 nan 0.000 0.441 139 L N 0.441 121.670 121.223 0.011 0.000 2.640 139 L HA 0.234 4.576 4.340 0.003 0.000 0.230 139 L C 1.145 178.045 176.870 0.051 0.000 1.123 139 L CA 0.032 54.880 54.840 0.012 0.000 0.900 139 L CB 0.267 42.311 42.059 -0.024 0.000 1.146 139 L HN -0.002 nan 8.230 nan 0.000 0.484 140 I N -0.320 120.278 120.570 0.047 0.000 3.526 140 I HA -0.037 4.135 4.170 0.003 0.000 0.294 140 I C 1.848 177.992 176.117 0.045 0.000 1.229 140 I CA 0.936 62.259 61.300 0.039 0.000 1.408 140 I CB -0.586 37.427 38.000 0.021 0.000 1.127 140 I HN 0.445 nan 8.210 nan 0.000 0.439 141 N N -0.559 118.174 118.700 0.056 0.000 2.299 141 N HA -0.131 4.611 4.740 0.003 0.000 0.187 141 N C 1.927 177.472 175.510 0.059 0.000 1.099 141 N CA -0.031 53.044 53.050 0.043 0.000 0.867 141 N CB -0.118 38.389 38.487 0.034 0.000 0.974 141 N HN 0.164 nan 8.380 nan 0.000 0.477 142 Y N 2.669 122.951 120.300 -0.031 0.000 2.109 142 Y HA -0.167 4.386 4.550 0.006 0.000 0.281 142 Y C 2.710 178.584 175.900 -0.044 0.000 1.113 142 Y CA 1.965 60.039 58.100 -0.043 0.000 1.098 142 Y CB -0.401 38.023 38.460 -0.059 0.000 0.996 142 Y HN 0.165 nan 8.280 nan 0.000 0.485 143 Q N -0.274 119.526 119.800 0.001 0.000 2.297 143 Q HA -0.218 4.124 4.340 0.003 0.000 0.208 143 Q C 1.654 177.591 176.000 -0.105 0.000 0.981 143 Q CA 1.705 57.456 55.803 -0.087 0.000 0.876 143 Q CB -0.499 28.261 28.738 0.036 0.000 0.921 143 Q HN 0.544 nan 8.270 nan 0.000 0.446 144 D N 1.795 122.155 120.400 -0.066 0.000 2.087 144 D HA -0.165 4.477 4.640 0.003 0.000 0.201 144 D C 1.374 177.625 176.300 -0.082 0.000 0.980 144 D CA 1.448 55.416 54.000 -0.053 0.000 0.849 144 D CB -0.076 40.710 40.800 -0.024 0.000 1.001 144 D HN 0.218 nan 8.370 nan 0.000 0.452 145 D N 0.584 120.926 120.400 -0.097 0.000 2.218 145 D HA -0.107 4.535 4.640 0.003 0.000 0.204 145 D C 1.888 178.098 176.300 -0.150 0.000 0.976 145 D CA 0.963 54.903 54.000 -0.101 0.000 0.853 145 D CB -0.141 40.609 40.800 -0.083 0.000 0.939 145 D HN 0.269 nan 8.370 nan 0.000 0.481 146 A N 1.294 123.959 122.820 -0.258 0.000 1.841 146 A HA -0.215 4.107 4.320 0.003 0.000 0.214 146 A C 2.171 179.660 177.584 -0.159 0.000 1.195 146 A CA 1.704 53.565 52.037 -0.293 0.000 0.611 146 A CB -0.663 18.026 19.000 -0.518 0.000 0.835 146 A HN 0.226 nan 8.150 nan 0.000 0.443 147 E N -0.643 119.478 120.200 -0.131 0.000 2.085 147 E HA -0.219 4.133 4.350 0.003 0.000 0.194 147 E C 1.884 178.449 176.600 -0.058 0.000 0.994 147 E CA 1.372 57.727 56.400 -0.076 0.000 0.801 147 E CB -0.222 29.444 29.700 -0.058 0.000 0.743 147 E HN 0.405 nan 8.360 nan 0.000 0.453 148 L N 0.591 121.777 121.223 -0.061 0.000 2.127 148 L HA -0.137 4.205 4.340 0.003 0.000 0.211 148 L C 2.123 178.969 176.870 -0.041 0.000 1.089 148 L CA 1.998 56.812 54.840 -0.044 0.000 0.757 148 L CB -0.481 41.552 42.059 -0.043 0.000 0.899 148 L HN 0.215 nan 8.230 nan 0.000 0.434 149 A N -1.772 121.016 122.820 -0.054 0.000 1.872 149 A HA -0.144 4.178 4.320 0.003 0.000 0.214 149 A C 2.174 179.740 177.584 -0.029 0.000 1.187 149 A CA 1.856 53.868 52.037 -0.041 0.000 0.614 149 A CB -1.092 17.877 19.000 -0.052 0.000 0.826 149 A HN 0.456 nan 8.150 nan 0.000 0.442 150 T N -0.646 113.888 114.554 -0.034 0.000 2.996 150 T HA -0.116 4.236 4.350 0.003 0.000 0.271 150 T C 1.809 176.499 174.700 -0.016 0.000 1.126 150 T CA 1.432 63.519 62.100 -0.021 0.000 1.103 150 T CB -0.208 68.646 68.868 -0.023 0.000 0.870 150 T HN 0.522 nan 8.240 nan 0.000 0.528 151 R N 0.227 120.715 120.500 -0.020 0.000 2.210 151 R HA 0.253 4.594 4.340 0.003 0.000 0.203 151 R C 2.030 178.323 176.300 -0.011 0.000 1.010 151 R CA 0.743 56.834 56.100 -0.015 0.000 1.008 151 R CB 0.028 30.317 30.300 -0.018 0.000 0.923 151 R HN 0.359 nan 8.270 nan 0.000 0.469 152 A N -0.026 122.788 122.820 -0.011 0.000 2.287 152 A HA 0.175 4.497 4.320 0.003 0.000 0.214 152 A C 1.611 179.193 177.584 -0.004 0.000 1.228 152 A CA -0.329 51.704 52.037 -0.007 0.000 0.939 152 A CB 0.191 19.186 19.000 -0.008 0.000 0.992 152 A HN 0.095 nan 8.150 nan 0.000 0.502 153 I N 1.130 121.697 120.570 -0.004 0.000 2.068 153 I HA -0.199 3.973 4.170 0.003 0.000 0.238 153 I C -0.412 175.706 176.117 0.002 0.000 1.046 153 I CA 2.014 63.314 61.300 0.001 0.000 1.306 153 I CB -2.117 35.884 38.000 0.001 0.000 1.023 153 I HN 0.119 nan 8.210 nan 0.000 0.399 154 P HA -0.181 nan 4.420 nan 0.000 0.216 154 P C 1.667 178.968 177.300 0.001 0.000 1.154 154 P CA 1.550 64.650 63.100 0.001 0.000 0.865 154 P CB -0.034 31.666 31.700 -0.000 0.000 0.789 155 E N -0.679 119.521 120.200 0.000 0.000 2.028 155 E HA -0.109 4.243 4.350 0.003 0.000 0.191 155 E C 2.148 178.750 176.600 0.002 0.000 0.988 155 E CA 0.988 57.389 56.400 0.001 0.000 0.799 155 E CB -0.861 28.839 29.700 -0.000 0.000 0.755 155 E HN 0.241 nan 8.360 nan 0.000 0.447 156 L N 0.845 122.070 121.223 0.003 0.000 2.021 156 L HA -0.264 4.078 4.340 0.003 0.000 0.215 156 L C 2.619 179.493 176.870 0.006 0.000 1.074 156 L CA 1.667 56.510 54.840 0.006 0.000 0.760 156 L CB -0.935 41.128 42.059 0.007 0.000 0.889 156 L HN 0.152 nan 8.230 nan 0.000 0.433 157 T N -0.306 114.251 114.554 0.005 0.000 2.516 157 T HA -0.282 4.070 4.350 0.003 0.000 0.261 157 T C 1.828 176.531 174.700 0.004 0.000 1.130 157 T CA 1.726 63.829 62.100 0.005 0.000 1.193 157 T CB -0.274 68.596 68.868 0.004 0.000 0.864 157 T HN 0.271 nan 8.240 nan 0.000 0.410 158 K N 0.402 120.804 120.400 0.003 0.000 2.189 158 K HA -0.161 4.160 4.320 0.003 0.000 0.207 158 K C 2.141 178.743 176.600 0.002 0.000 1.046 158 K CA 1.172 57.460 56.287 0.002 0.000 0.928 158 K CB -0.418 32.083 32.500 0.001 0.000 0.720 158 K HN 0.162 nan 8.250 nan 0.000 0.458 159 L N 0.534 121.759 121.223 0.003 0.000 2.056 159 L HA -0.137 4.205 4.340 0.003 0.000 0.207 159 L C 2.073 178.945 176.870 0.004 0.000 1.078 159 L CA 1.364 56.207 54.840 0.004 0.000 0.749 159 L CB -0.363 41.699 42.059 0.005 0.000 0.901 159 L HN 0.136 nan 8.230 nan 0.000 0.433 160 L N -0.443 120.783 121.223 0.004 0.000 2.191 160 L HA -0.187 4.155 4.340 0.003 0.000 0.212 160 L C 1.948 178.819 176.870 0.002 0.000 1.103 160 L CA 0.775 55.617 54.840 0.003 0.000 0.769 160 L CB -0.547 41.514 42.059 0.004 0.000 0.908 160 L HN 0.405 nan 8.230 nan 0.000 0.438 161 N N -0.804 117.897 118.700 0.001 0.000 2.409 161 N HA -0.088 4.653 4.740 0.003 0.000 0.179 161 N C 0.655 176.165 175.510 0.000 0.000 1.032 161 N CA 0.349 53.400 53.050 0.000 0.000 0.898 161 N CB -0.260 38.227 38.487 0.000 0.000 0.971 161 N HN 0.329 nan 8.380 nan 0.000 0.441 162 D N 1.598 121.999 120.400 0.001 0.000 2.515 162 D HA -0.093 4.549 4.640 0.003 0.000 0.232 162 D C 0.732 177.032 176.300 0.001 0.000 1.157 162 D CA 0.519 54.520 54.000 0.001 0.000 0.871 162 D CB 1.167 41.968 40.800 0.002 0.000 1.200 162 D HN 0.191 nan 8.370 nan 0.000 0.466 163 E N 0.949 121.150 120.200 0.001 0.000 2.112 163 E HA -0.113 4.238 4.350 0.003 0.000 0.190 163 E C 0.406 177.007 176.600 0.001 0.000 0.979 163 E CA 0.184 56.584 56.400 0.000 0.000 0.814 163 E CB 0.078 29.778 29.700 0.000 0.000 0.762 163 E HN 0.483 nan 8.360 nan 0.000 0.460 164 D N 1.545 121.946 120.400 0.001 0.000 2.402 164 D HA -0.108 4.534 4.640 0.003 0.000 0.268 164 D C 0.988 177.289 176.300 0.002 0.000 1.294 164 D CA 0.230 54.231 54.000 0.002 0.000 0.945 164 D CB 1.162 41.964 40.800 0.002 0.000 1.112 164 D HN -0.035 nan 8.370 nan 0.000 0.517 165 Q N 3.249 123.050 119.800 0.002 0.000 2.133 165 Q HA -0.186 4.156 4.340 0.003 0.000 0.208 165 Q C 1.671 177.673 176.000 0.003 0.000 0.991 165 Q CA 1.838 57.642 55.803 0.002 0.000 0.867 165 Q CB -0.171 28.568 28.738 0.002 0.000 0.911 165 Q HN 0.521 nan 8.270 nan 0.000 0.417 166 V N -0.831 119.085 119.914 0.004 0.000 2.427 166 V HA -0.210 3.912 4.120 0.003 0.000 0.248 166 V C 2.273 178.371 176.094 0.006 0.000 1.051 166 V CA 1.418 63.721 62.300 0.005 0.000 1.048 166 V CB -0.657 31.169 31.823 0.005 0.000 0.666 166 V HN 0.236 nan 8.190 nan 0.000 0.456 167 V N 0.106 120.022 119.914 0.005 0.000 2.233 167 V HA -0.255 3.866 4.120 0.003 0.000 0.247 167 V C 2.476 178.574 176.094 0.006 0.000 1.050 167 V CA 2.213 64.516 62.300 0.005 0.000 1.010 167 V CB -0.569 31.256 31.823 0.004 0.000 0.637 167 V HN 0.408 nan 8.190 nan 0.000 0.444 168 V N 0.666 120.583 119.914 0.005 0.000 2.231 168 V HA -0.382 3.740 4.120 0.003 0.000 0.248 168 V C 2.091 178.188 176.094 0.006 0.000 1.054 168 V CA 2.709 65.012 62.300 0.005 0.000 1.015 168 V CB -1.251 30.574 31.823 0.003 0.000 0.638 168 V HN 0.644 nan 8.190 nan 0.000 0.444 169 N N 0.053 118.757 118.700 0.006 0.000 2.021 169 N HA -0.270 4.471 4.740 0.003 0.000 0.198 169 N C 1.866 177.384 175.510 0.013 0.000 1.041 169 N CA 1.819 54.873 53.050 0.007 0.000 0.862 169 N CB -0.287 38.204 38.487 0.007 0.000 1.048 169 N HN 0.542 nan 8.380 nan 0.000 0.427 170 K N 0.845 121.253 120.400 0.013 0.000 2.044 170 K HA -0.139 4.182 4.320 0.003 0.000 0.210 170 K C 2.279 178.891 176.600 0.020 0.000 1.049 170 K CA 1.330 57.627 56.287 0.017 0.000 0.927 170 K CB -0.235 32.273 32.500 0.013 0.000 0.713 170 K HN 0.199 nan 8.250 nan 0.000 0.443 171 A N 1.698 124.527 122.820 0.016 0.000 1.908 171 A HA -0.178 4.144 4.320 0.003 0.000 0.218 171 A C 2.432 180.030 177.584 0.024 0.000 1.181 171 A CA 2.006 54.052 52.037 0.016 0.000 0.627 171 A CB -0.809 18.197 19.000 0.011 0.000 0.818 171 A HN 0.365 nan 8.150 nan 0.000 0.445 172 A N -0.433 122.400 122.820 0.022 0.000 1.883 172 A HA -0.046 4.276 4.320 0.003 0.000 0.217 172 A C 2.230 179.849 177.584 0.058 0.000 1.186 172 A CA 1.971 54.023 52.037 0.026 0.000 0.624 172 A CB -1.096 17.907 19.000 0.006 0.000 0.822 172 A HN 0.511 nan 8.150 nan 0.000 0.444 173 V N -0.122 119.827 119.914 0.059 0.000 2.332 173 V HA -0.368 3.754 4.120 0.003 0.000 0.248 173 V C 2.625 178.772 176.094 0.089 0.000 1.055 173 V CA 2.399 64.756 62.300 0.094 0.000 1.038 173 V CB -0.885 30.976 31.823 0.064 0.000 0.651 173 V HN 0.575 nan 8.190 nan 0.000 0.450 174 M N -0.434 119.196 119.600 0.051 0.000 2.086 174 M HA -0.137 4.345 4.480 0.003 0.000 0.261 174 M C 2.233 178.552 176.300 0.033 0.000 1.067 174 M CA 1.603 56.921 55.300 0.030 0.000 1.116 174 M CB -0.512 32.099 32.600 0.019 0.000 1.348 174 M HN 0.245 nan 8.290 nan 0.000 0.407 175 V N -0.432 119.510 119.914 0.048 0.000 2.407 175 V HA -0.284 3.838 4.120 0.003 0.000 0.248 175 V C 2.305 178.448 176.094 0.081 0.000 1.055 175 V CA 2.221 64.551 62.300 0.050 0.000 1.049 175 V CB -1.107 30.743 31.823 0.045 0.000 0.662 175 V HN 0.481 nan 8.190 nan 0.000 0.455 176 H N 0.786 119.850 119.070 -0.010 0.000 2.270 176 H HA -0.217 4.341 4.556 0.003 0.000 0.299 176 H C 2.346 177.673 175.328 -0.002 0.000 1.077 176 H CA 2.489 58.527 56.048 -0.017 0.000 1.294 176 H CB -0.408 29.338 29.762 -0.027 0.000 1.371 176 H HN 0.445 nan 8.280 nan 0.000 0.491 177 Q N -0.246 119.428 119.800 -0.210 0.000 2.197 177 Q HA -0.132 4.209 4.340 0.003 0.000 0.207 177 Q C 2.452 178.374 176.000 -0.129 0.000 0.984 177 Q CA 1.552 57.209 55.803 -0.244 0.000 0.869 177 Q CB -0.153 28.518 28.738 -0.112 0.000 0.906 177 Q HN 0.559 nan 8.270 nan 0.000 0.426 178 L N 0.185 121.374 121.223 -0.057 0.000 2.093 178 L HA -0.144 4.198 4.340 0.003 0.000 0.208 178 L C 2.474 179.342 176.870 -0.003 0.000 1.085 178 L CA 1.315 56.142 54.840 -0.021 0.000 0.755 178 L CB -0.294 41.764 42.059 -0.001 0.000 0.904 178 L HN 0.338 nan 8.230 nan 0.000 0.435 179 S N -0.999 114.704 115.700 0.006 0.000 2.507 179 S HA -0.141 4.330 4.470 0.003 0.000 0.235 179 S C 1.715 176.341 174.600 0.043 0.000 0.988 179 S CA 0.550 58.778 58.200 0.046 0.000 0.944 179 S CB -0.217 63.030 63.200 0.077 0.000 0.762 179 S HN 0.407 nan 8.310 nan 0.000 0.526 180 K N 1.413 121.805 120.400 -0.014 0.000 2.103 180 K HA 0.055 4.377 4.320 0.003 0.000 0.204 180 K C 0.293 176.915 176.600 0.037 0.000 1.052 180 K CA 0.730 57.013 56.287 -0.007 0.000 0.945 180 K CB -0.068 32.394 32.500 -0.063 0.000 0.722 180 K HN 0.381 nan 8.250 nan 0.000 0.443 181 K N 2.204 122.624 120.400 0.033 0.000 2.315 181 K HA -0.006 4.316 4.320 0.003 0.000 0.291 181 K C 0.559 177.222 176.600 0.105 0.000 1.074 181 K CA -0.059 56.260 56.287 0.054 0.000 0.936 181 K CB 0.951 33.464 32.500 0.022 0.000 1.049 181 K HN 0.150 nan 8.250 nan 0.000 0.471 182 E N 3.396 123.691 120.200 0.158 0.000 2.236 182 E HA -0.348 4.004 4.350 0.003 0.000 0.205 182 E C 1.514 178.273 176.600 0.264 0.000 1.028 182 E CA 1.727 58.280 56.400 0.254 0.000 0.827 182 E CB 0.110 29.959 29.700 0.247 0.000 0.735 182 E HN 0.744 nan 8.360 nan 0.000 0.470 183 A N 0.602 123.493 122.820 0.118 0.000 1.835 183 A HA -0.208 4.114 4.320 0.003 0.000 0.215 183 A C 2.416 179.945 177.584 -0.093 0.000 1.199 183 A CA 2.145 54.057 52.037 -0.208 0.000 0.615 183 A CB -0.872 17.933 19.000 -0.327 0.000 0.838 183 A HN 0.364 nan 8.150 nan 0.000 0.444 184 S N -0.486 115.196 115.700 -0.031 0.000 2.359 184 S HA -0.233 4.239 4.470 0.003 0.000 0.224 184 S C 2.016 176.653 174.600 0.061 0.000 1.035 184 S CA 1.439 59.639 58.200 -0.001 0.000 1.018 184 S CB -0.489 62.712 63.200 0.002 0.000 0.876 184 S HN 0.597 nan 8.310 nan 0.000 0.448 185 R N 0.413 120.980 120.500 0.113 0.000 2.153 185 R HA -0.232 4.110 4.340 0.003 0.000 0.252 185 R C 1.936 178.292 176.300 0.093 0.000 1.158 185 R CA 1.857 58.038 56.100 0.134 0.000 0.975 185 R CB -0.295 30.133 30.300 0.213 0.000 0.871 185 R HN 0.497 nan 8.270 nan 0.000 0.450 186 H N -1.098 117.973 119.070 0.002 0.000 2.470 186 H HA 0.125 4.682 4.556 0.001 0.000 0.289 186 H C 1.744 177.066 175.328 -0.011 0.000 1.033 186 H CA 1.148 57.188 56.048 -0.014 0.000 1.331 186 H CB 0.085 29.835 29.762 -0.019 0.000 1.414 186 H HN 0.369 nan 8.280 nan 0.000 0.545 187 A N 0.536 123.409 122.820 0.089 0.000 1.897 187 A HA -0.058 4.264 4.320 0.003 0.000 0.215 187 A C 2.240 179.842 177.584 0.030 0.000 1.181 187 A CA 1.133 53.192 52.037 0.037 0.000 0.620 187 A CB -0.482 18.521 19.000 0.004 0.000 0.821 187 A HN 0.318 nan 8.150 nan 0.000 0.443 188 I N -0.943 119.647 120.570 0.033 0.000 2.202 188 I HA -0.232 3.940 4.170 0.003 0.000 0.242 188 I C 2.643 178.776 176.117 0.027 0.000 1.091 188 I CA 1.678 62.995 61.300 0.029 0.000 1.368 188 I CB -0.363 37.658 38.000 0.036 0.000 1.058 188 I HN 0.401 nan 8.210 nan 0.000 0.410 189 M N 0.699 120.312 119.600 0.022 0.000 2.530 189 M HA -0.182 4.300 4.480 0.003 0.000 0.261 189 M C 1.725 178.032 176.300 0.013 0.000 1.067 189 M CA 1.757 57.062 55.300 0.009 0.000 1.071 189 M CB -0.101 32.471 32.600 -0.046 0.000 1.405 189 M HN 0.139 nan 8.290 nan 0.000 0.478 190 R N -1.446 119.067 120.500 0.021 0.000 2.437 190 R HA 0.176 4.517 4.340 0.003 0.000 0.257 190 R C 0.456 176.769 176.300 0.022 0.000 0.927 190 R CA -0.035 56.081 56.100 0.026 0.000 1.078 190 R CB 0.618 30.939 30.300 0.035 0.000 1.161 190 R HN 0.104 nan 8.270 nan 0.000 0.529 191 S N 1.772 117.484 115.700 0.020 0.000 2.567 191 S HA 0.253 4.725 4.470 0.003 0.000 0.262 191 S C -1.959 172.650 174.600 0.015 0.000 1.237 191 S CA -1.986 56.224 58.200 0.016 0.000 1.093 191 S CB 0.757 63.966 63.200 0.014 0.000 1.095 191 S HN -0.097 nan 8.310 nan 0.000 0.489 192 P HA -0.186 nan 4.420 nan 0.000 0.217 192 P C 1.105 178.410 177.300 0.008 0.000 1.148 192 P CA 1.386 64.494 63.100 0.013 0.000 0.834 192 P CB 0.143 31.850 31.700 0.013 0.000 0.783 193 Q N -2.212 117.592 119.800 0.007 0.000 2.245 193 Q HA -0.087 4.255 4.340 0.003 0.000 0.201 193 Q C 2.074 178.077 176.000 0.005 0.000 0.955 193 Q CA 0.991 56.797 55.803 0.004 0.000 0.870 193 Q CB -0.480 28.261 28.738 0.004 0.000 0.945 193 Q HN 0.213 nan 8.270 nan 0.000 0.461 194 M N 0.300 119.905 119.600 0.008 0.000 2.098 194 M HA -0.100 4.382 4.480 0.003 0.000 0.262 194 M C 1.899 178.205 176.300 0.011 0.000 1.072 194 M CA 1.470 56.776 55.300 0.010 0.000 1.133 194 M CB -0.427 32.181 32.600 0.013 0.000 1.344 194 M HN -0.016 nan 8.290 nan 0.000 0.414 195 V N 0.131 120.053 119.914 0.013 0.000 2.219 195 V HA -0.332 3.790 4.120 0.003 0.000 0.248 195 V C 2.344 178.442 176.094 0.008 0.000 1.053 195 V CA 2.391 64.700 62.300 0.015 0.000 1.009 195 V CB -1.521 30.314 31.823 0.020 0.000 0.636 195 V HN 0.612 nan 8.190 nan 0.000 0.445 196 S N 0.079 115.781 115.700 0.003 0.000 2.407 196 S HA -0.254 4.218 4.470 0.003 0.000 0.235 196 S C 2.045 176.643 174.600 -0.003 0.000 1.036 196 S CA 1.596 59.794 58.200 -0.004 0.000 1.013 196 S CB -0.536 62.660 63.200 -0.007 0.000 0.820 196 S HN 0.703 nan 8.310 nan 0.000 0.476 197 A N 0.631 123.451 122.820 -0.000 0.000 2.016 197 A HA 0.170 4.491 4.320 0.003 0.000 0.217 197 A C 1.987 179.570 177.584 -0.000 0.000 1.162 197 A CA 0.554 52.591 52.037 -0.000 0.000 0.662 197 A CB -0.399 18.602 19.000 0.002 0.000 0.812 197 A HN 0.487 nan 8.150 nan 0.000 0.450 198 I N -0.684 119.888 120.570 0.002 0.000 2.233 198 I HA -0.161 4.011 4.170 0.003 0.000 0.243 198 I C 2.327 178.441 176.117 -0.004 0.000 1.093 198 I CA 0.844 62.143 61.300 -0.000 0.000 1.380 198 I CB -0.376 37.627 38.000 0.005 0.000 1.067 198 I HN 0.123 nan 8.210 nan 0.000 0.413 199 V N 1.123 121.035 119.914 -0.002 0.000 2.231 199 V HA -0.351 3.771 4.120 0.003 0.000 0.248 199 V C 2.665 178.755 176.094 -0.006 0.000 1.054 199 V CA 2.255 64.553 62.300 -0.004 0.000 1.015 199 V CB -0.847 30.973 31.823 -0.005 0.000 0.638 199 V HN 0.430 nan 8.190 nan 0.000 0.444 200 R N -0.343 120.153 120.500 -0.007 0.000 2.096 200 R HA -0.212 4.130 4.340 0.003 0.000 0.240 200 R C 2.355 178.651 176.300 -0.006 0.000 1.139 200 R CA 2.340 58.436 56.100 -0.007 0.000 0.952 200 R CB -0.593 29.703 30.300 -0.007 0.000 0.854 200 R HN 0.570 nan 8.270 nan 0.000 0.436 201 T N 1.159 115.710 114.554 -0.006 0.000 2.746 201 T HA -0.203 4.149 4.350 0.003 0.000 0.267 201 T C 1.680 176.375 174.700 -0.009 0.000 1.039 201 T CA 1.657 63.753 62.100 -0.007 0.000 1.142 201 T CB -0.170 68.694 68.868 -0.007 0.000 0.866 201 T HN 0.333 nan 8.240 nan 0.000 0.444 202 M N 1.360 120.953 119.600 -0.011 0.000 2.086 202 M HA -0.205 4.277 4.480 0.003 0.000 0.261 202 M C 2.593 178.890 176.300 -0.005 0.000 1.067 202 M CA 1.765 57.057 55.300 -0.012 0.000 1.116 202 M CB -0.236 32.356 32.600 -0.013 0.000 1.348 202 M HN 0.339 nan 8.290 nan 0.000 0.407 203 Q N -1.040 118.758 119.800 -0.003 0.000 2.172 203 Q HA -0.105 4.237 4.340 0.003 0.000 0.200 203 Q C 1.053 177.052 176.000 -0.001 0.000 0.964 203 Q CA 1.310 57.113 55.803 -0.001 0.000 0.855 203 Q CB -0.405 28.331 28.738 -0.002 0.000 0.918 203 Q HN 0.556 nan 8.270 nan 0.000 0.444 204 N N 0.743 119.441 118.700 -0.003 0.000 2.405 204 N HA -0.014 4.728 4.740 0.003 0.000 0.175 204 N C 0.537 176.046 175.510 -0.002 0.000 1.051 204 N CA 0.697 53.746 53.050 -0.002 0.000 0.899 204 N CB 0.232 38.717 38.487 -0.003 0.000 1.000 204 N HN 0.229 nan 8.380 nan 0.000 0.451 205 T N 0.417 114.969 114.554 -0.003 0.000 2.855 205 T HA 0.074 4.426 4.350 0.003 0.000 0.314 205 T C 0.813 175.513 174.700 -0.001 0.000 1.077 205 T CA 0.375 62.474 62.100 -0.003 0.000 1.095 205 T CB 0.435 69.300 68.868 -0.006 0.000 0.987 205 T HN 0.207 nan 8.240 nan 0.000 0.546 206 N N 0.862 119.562 118.700 0.000 0.000 2.143 206 N HA 0.076 4.818 4.740 0.003 0.000 0.222 206 N C -0.955 174.556 175.510 0.002 0.000 1.264 206 N CA -0.337 52.714 53.050 0.002 0.000 0.897 206 N CB 0.547 39.035 38.487 0.002 0.000 1.092 206 N HN 0.563 nan 8.380 nan 0.000 0.516 207 D N 1.997 122.397 120.400 0.001 0.000 2.316 207 D HA 0.027 4.668 4.640 0.003 0.000 0.245 207 D C 1.678 177.979 176.300 0.002 0.000 1.171 207 D CA -0.263 53.738 54.000 0.002 0.000 0.856 207 D CB 1.802 42.603 40.800 0.001 0.000 1.090 207 D HN -0.026 nan 8.370 nan 0.000 0.476 208 V N 2.458 122.375 119.914 0.005 0.000 2.568 208 V HA -0.166 3.955 4.120 0.003 0.000 0.253 208 V C 1.594 177.692 176.094 0.007 0.000 1.072 208 V CA 1.233 63.538 62.300 0.008 0.000 1.084 208 V CB -0.338 31.492 31.823 0.011 0.000 0.676 208 V HN 0.370 nan 8.190 nan 0.000 0.469 209 E N 0.934 121.136 120.200 0.005 0.000 2.076 209 E HA -0.061 4.291 4.350 0.003 0.000 0.190 209 E C 2.399 178.987 176.600 -0.020 0.000 0.979 209 E CA 1.798 58.199 56.400 0.001 0.000 0.807 209 E CB -0.849 28.858 29.700 0.011 0.000 0.761 209 E HN 0.701 nan 8.360 nan 0.000 0.454 210 T N 1.752 116.297 114.554 -0.016 0.000 2.746 210 T HA -0.104 4.248 4.350 0.003 0.000 0.267 210 T C 1.949 176.621 174.700 -0.046 0.000 1.039 210 T CA 1.435 63.519 62.100 -0.027 0.000 1.142 210 T CB -0.223 68.637 68.868 -0.013 0.000 0.866 210 T HN 0.253 nan 8.240 nan 0.000 0.444 211 A N 2.907 125.710 122.820 -0.029 0.000 1.841 211 A HA -0.219 4.102 4.320 0.003 0.000 0.216 211 A C 2.329 179.882 177.584 -0.051 0.000 1.199 211 A CA 2.276 54.298 52.037 -0.025 0.000 0.621 211 A CB -0.739 18.261 19.000 0.001 0.000 0.835 211 A HN 0.671 nan 8.150 nan 0.000 0.445 212 R N -0.671 119.807 120.500 -0.037 0.000 2.103 212 R HA -0.179 4.163 4.340 0.003 0.000 0.242 212 R C 2.144 178.273 176.300 -0.285 0.000 1.142 212 R CA 1.944 58.013 56.100 -0.050 0.000 0.960 212 R CB -1.435 28.881 30.300 0.027 0.000 0.858 212 R HN 0.457 nan 8.270 nan 0.000 0.439 213 C N 1.322 120.447 119.300 -0.291 0.000 2.496 213 C HA -0.079 4.383 4.460 0.003 0.000 0.281 213 C C 3.120 177.862 174.990 -0.412 0.000 1.250 213 C CA 1.557 60.270 59.018 -0.507 0.000 1.717 213 C CB -0.963 26.648 27.740 -0.214 0.000 2.082 213 C HN 0.778 nan 8.230 nan 0.000 0.472 214 T N 0.748 115.183 114.554 -0.199 0.000 2.759 214 T HA -0.169 4.183 4.350 0.003 0.000 0.269 214 T C 1.845 176.454 174.700 -0.151 0.000 1.042 214 T CA 1.827 63.852 62.100 -0.124 0.000 1.140 214 T CB -0.574 68.255 68.868 -0.064 0.000 0.864 214 T HN 0.552 nan 8.240 nan 0.000 0.455 215 A N 2.087 124.792 122.820 -0.193 0.000 1.858 215 A HA 0.251 4.572 4.320 0.003 0.000 0.216 215 A C 2.792 180.155 177.584 -0.368 0.000 1.190 215 A CA 1.744 53.677 52.037 -0.172 0.000 0.617 215 A CB -1.674 17.281 19.000 -0.075 0.000 0.827 215 A HN 0.605 nan 8.150 nan 0.000 0.443 216 G N -0.845 107.446 108.800 -0.847 0.000 2.459 216 G HA2 -0.219 3.743 3.960 0.003 0.000 0.217 216 G HA3 -0.219 3.743 3.960 0.003 0.000 0.217 216 G C 1.599 176.332 174.900 -0.278 0.000 1.183 216 G CA 1.839 46.289 45.100 -1.084 0.000 0.776 216 G HN 0.433 nan 8.290 nan 0.000 0.552 217 T N 1.595 116.047 114.554 -0.170 0.000 2.624 217 T HA -0.179 4.173 4.350 0.003 0.000 0.268 217 T C 2.402 177.114 174.700 0.020 0.000 1.041 217 T CA 1.419 63.534 62.100 0.025 0.000 1.159 217 T CB -0.363 68.518 68.868 0.022 0.000 0.863 217 T HN 0.173 nan 8.240 nan 0.000 0.434 218 L N -0.205 121.016 121.223 -0.003 0.000 2.042 218 L HA -0.160 4.182 4.340 0.003 0.000 0.210 218 L C 2.562 179.479 176.870 0.079 0.000 1.076 218 L CA 1.700 56.560 54.840 0.033 0.000 0.749 218 L CB -0.695 41.380 42.059 0.026 0.000 0.893 218 L HN 0.507 nan 8.230 nan 0.000 0.432 219 H N 0.651 119.708 119.070 -0.022 0.000 2.256 219 H HA -0.196 4.361 4.556 0.002 0.000 0.299 219 H C 2.046 177.354 175.328 -0.034 0.000 1.071 219 H CA 2.146 58.203 56.048 0.016 0.000 1.280 219 H CB -0.000 29.899 29.762 0.230 0.000 1.370 219 H HN 0.394 nan 8.280 nan 0.000 0.490 220 N N 0.297 118.965 118.700 -0.053 0.000 2.132 220 N HA -0.204 4.538 4.740 0.003 0.000 0.191 220 N C 2.136 177.657 175.510 0.018 0.000 1.015 220 N CA 1.098 54.134 53.050 -0.024 0.000 0.864 220 N CB -0.046 38.470 38.487 0.048 0.000 1.006 220 N HN 0.320 nan 8.380 nan 0.000 0.430 221 L N 0.666 121.899 121.223 0.017 0.000 2.109 221 L HA -0.093 4.249 4.340 0.003 0.000 0.207 221 L C 2.278 179.123 176.870 -0.041 0.000 1.086 221 L CA 0.801 55.661 54.840 0.033 0.000 0.760 221 L CB -0.341 41.746 42.059 0.047 0.000 0.910 221 L HN 0.254 nan 8.230 nan 0.000 0.437 222 S N -1.876 113.770 115.700 -0.091 0.000 2.571 222 S HA -0.176 4.295 4.470 0.003 0.000 0.245 222 S C 1.531 175.990 174.600 -0.235 0.000 0.976 222 S CA 0.641 58.766 58.200 -0.125 0.000 0.954 222 S CB -0.664 62.485 63.200 -0.085 0.000 0.756 222 S HN 0.466 nan 8.310 nan 0.000 0.535 223 H N 0.685 119.648 119.070 -0.178 0.000 2.548 223 H HA 0.240 4.800 4.556 0.007 0.000 0.265 223 H C 0.086 175.158 175.328 -0.426 0.000 0.969 223 H CA 0.453 56.316 56.048 -0.308 0.000 1.155 223 H CB 0.078 29.593 29.762 -0.411 0.000 1.394 223 H HN 0.567 nan 8.280 nan 0.000 0.570 224 H N -0.114 118.998 119.070 0.070 0.000 2.569 224 H HA 0.218 4.775 4.556 0.001 0.000 0.357 224 H C 1.196 176.515 175.328 -0.014 0.000 1.153 224 H CA -0.518 55.533 56.048 0.004 0.000 1.193 224 H CB 2.200 31.919 29.762 -0.071 0.000 1.602 224 H HN 0.047 nan 8.280 nan 0.000 0.523 225 R N 0.970 121.525 120.500 0.091 0.000 2.127 225 R HA -0.151 4.191 4.340 0.003 0.000 0.238 225 R C 0.562 176.888 176.300 0.043 0.000 1.134 225 R CA 1.657 57.779 56.100 0.036 0.000 0.975 225 R CB 0.296 30.601 30.300 0.009 0.000 0.865 225 R HN 0.530 nan 8.270 nan 0.000 0.447 226 E N -0.879 119.350 120.200 0.049 0.000 2.152 226 E HA -0.023 4.329 4.350 0.003 0.000 0.192 226 E C 1.777 178.405 176.600 0.047 0.000 0.983 226 E CA 1.176 57.597 56.400 0.035 0.000 0.818 226 E CB -0.294 29.409 29.700 0.006 0.000 0.758 226 E HN 0.525 nan 8.360 nan 0.000 0.467 227 G N 0.766 109.603 108.800 0.062 0.000 2.402 227 G HA2 -0.205 3.757 3.960 0.003 0.000 0.216 227 G HA3 -0.205 3.757 3.960 0.003 0.000 0.216 227 G C 1.513 176.449 174.900 0.060 0.000 1.162 227 G CA 0.563 45.699 45.100 0.060 0.000 0.777 227 G HN 0.135 nan 8.290 nan 0.000 0.539 228 L N -0.350 120.906 121.223 0.055 0.000 1.976 228 L HA -0.062 4.280 4.340 0.003 0.000 0.209 228 L C 2.707 179.637 176.870 0.100 0.000 1.071 228 L CA 0.897 55.773 54.840 0.060 0.000 0.746 228 L CB -0.648 41.431 42.059 0.034 0.000 0.890 228 L HN 0.231 nan 8.230 nan 0.000 0.432 229 L N 0.125 121.398 121.223 0.083 0.000 2.127 229 L HA -0.187 4.155 4.340 0.003 0.000 0.211 229 L C 2.498 179.467 176.870 0.165 0.000 1.089 229 L CA 1.955 56.873 54.840 0.131 0.000 0.757 229 L CB -0.709 41.400 42.059 0.083 0.000 0.899 229 L HN 0.199 nan 8.230 nan 0.000 0.434 230 A N -0.050 122.835 122.820 0.108 0.000 1.825 230 A HA -0.164 4.158 4.320 0.003 0.000 0.214 230 A C 2.223 179.863 177.584 0.093 0.000 1.206 230 A CA 1.930 54.017 52.037 0.084 0.000 0.609 230 A CB -0.971 18.063 19.000 0.057 0.000 0.851 230 A HN 0.425 nan 8.150 nan 0.000 0.445 231 I N -1.530 119.097 120.570 0.095 0.000 2.236 231 I HA -0.312 3.860 4.170 0.003 0.000 0.249 231 I C 2.374 178.565 176.117 0.124 0.000 1.102 231 I CA 1.902 63.256 61.300 0.090 0.000 1.365 231 I CB -0.407 37.645 38.000 0.087 0.000 1.051 231 I HN 0.464 nan 8.210 nan 0.000 0.420 232 F N 1.945 121.901 119.950 0.010 0.000 2.039 232 F HA -0.182 4.347 4.527 0.004 0.000 0.294 232 F C 2.468 178.273 175.800 0.008 0.000 1.130 232 F CA 1.699 59.704 58.000 0.009 0.000 1.189 232 F CB -0.402 38.605 39.000 0.011 0.000 0.983 232 F HN -0.194 nan 8.300 nan 0.000 0.471 233 K N -0.145 120.260 120.400 0.007 0.000 2.281 233 K HA -0.126 4.196 4.320 0.003 0.000 0.203 233 K C 1.518 178.047 176.600 -0.118 0.000 1.046 233 K CA 1.418 57.643 56.287 -0.103 0.000 0.938 233 K CB -0.433 32.086 32.500 0.033 0.000 0.737 233 K HN 0.366 nan 8.250 nan 0.000 0.458 234 S N -0.506 115.152 115.700 -0.071 0.000 2.622 234 S HA 0.218 4.690 4.470 0.003 0.000 0.236 234 S C 0.874 175.430 174.600 -0.074 0.000 0.956 234 S CA -0.078 58.088 58.200 -0.057 0.000 0.971 234 S CB 0.482 63.671 63.200 -0.018 0.000 0.782 234 S HN 0.363 nan 8.310 nan 0.000 0.468 235 G N 0.595 109.315 108.800 -0.133 0.000 2.273 235 G HA2 -0.200 3.762 3.960 0.003 0.000 0.280 235 G HA3 -0.200 3.762 3.960 0.003 0.000 0.280 235 G C 0.773 175.636 174.900 -0.062 0.000 1.047 235 G CA 0.052 45.080 45.100 -0.119 0.000 0.869 235 G HN 0.867 nan 8.290 nan 0.000 0.502 236 G N -0.403 108.376 108.800 -0.036 0.000 2.453 236 G HA2 0.129 4.091 3.960 0.003 0.000 0.215 236 G HA3 0.129 4.091 3.960 0.003 0.000 0.215 236 G C 1.780 176.692 174.900 0.019 0.000 1.147 236 G CA 0.947 46.049 45.100 0.004 0.000 0.802 236 G HN 0.577 nan 8.290 nan 0.000 0.535 237 I N 1.500 122.088 120.570 0.031 0.000 2.118 237 I HA -0.152 4.020 4.170 0.003 0.000 0.241 237 I C -0.111 176.020 176.117 0.023 0.000 1.070 237 I CA 1.414 62.744 61.300 0.050 0.000 1.327 237 I CB -0.848 37.206 38.000 0.090 0.000 1.034 237 I HN 0.139 nan 8.210 nan 0.000 0.405 238 P HA -0.179 nan 4.420 nan 0.000 0.215 238 P C 1.466 178.768 177.300 0.003 0.000 1.153 238 P CA 1.926 65.025 63.100 -0.002 0.000 0.853 238 P CB -0.033 31.657 31.700 -0.017 0.000 0.788 239 A N -0.678 122.143 122.820 0.001 0.000 1.858 239 A HA -0.187 4.135 4.320 0.003 0.000 0.216 239 A C 2.222 179.815 177.584 0.015 0.000 1.190 239 A CA 1.551 53.591 52.037 0.005 0.000 0.617 239 A CB -1.707 17.294 19.000 0.001 0.000 0.827 239 A HN 0.083 nan 8.150 nan 0.000 0.443 240 L N -0.581 120.655 121.223 0.021 0.000 1.990 240 L HA -0.227 4.115 4.340 0.003 0.000 0.213 240 L C 2.580 179.468 176.870 0.029 0.000 1.072 240 L CA 1.524 56.383 54.840 0.031 0.000 0.755 240 L CB -0.709 41.373 42.059 0.037 0.000 0.889 240 L HN 0.258 nan 8.230 nan 0.000 0.432 241 V N 0.034 119.962 119.914 0.023 0.000 2.282 241 V HA -0.389 3.733 4.120 0.003 0.000 0.249 241 V C 2.605 178.710 176.094 0.019 0.000 1.057 241 V CA 2.263 64.574 62.300 0.019 0.000 1.032 241 V CB -0.594 31.238 31.823 0.014 0.000 0.645 241 V HN 0.478 nan 8.190 nan 0.000 0.447 242 K N -0.745 119.664 120.400 0.016 0.000 2.063 242 K HA -0.226 4.096 4.320 0.003 0.000 0.208 242 K C 2.157 178.769 176.600 0.021 0.000 1.048 242 K CA 1.693 57.989 56.287 0.015 0.000 0.928 242 K CB -0.154 32.352 32.500 0.010 0.000 0.713 242 K HN 0.263 nan 8.250 nan 0.000 0.442 243 M N 0.871 120.487 119.600 0.026 0.000 2.279 243 M HA -0.131 4.351 4.480 0.003 0.000 0.264 243 M C 1.844 178.171 176.300 0.044 0.000 1.062 243 M CA 1.191 56.512 55.300 0.035 0.000 1.099 243 M CB -0.662 31.964 32.600 0.044 0.000 1.394 243 M HN 0.221 nan 8.290 nan 0.000 0.426 244 L N -0.680 120.570 121.223 0.045 0.000 2.642 244 L HA -0.098 4.244 4.340 0.003 0.000 0.236 244 L C 1.879 178.777 176.870 0.048 0.000 1.169 244 L CA 0.494 55.368 54.840 0.058 0.000 0.851 244 L CB -0.941 41.147 42.059 0.049 0.000 0.968 244 L HN 0.358 nan 8.230 nan 0.000 0.453 245 G N -1.454 107.366 108.800 0.033 0.000 3.233 245 G HA2 -0.011 3.951 3.960 0.003 0.000 0.234 245 G HA3 -0.011 3.951 3.960 0.003 0.000 0.234 245 G C 0.542 175.454 174.900 0.020 0.000 1.137 245 G CA -0.086 45.029 45.100 0.025 0.000 0.763 245 G HN 0.199 nan 8.290 nan 0.000 0.549 246 S N 1.033 116.746 115.700 0.023 0.000 2.580 246 S HA 0.372 4.844 4.470 0.003 0.000 0.274 246 S C -0.796 173.806 174.600 0.004 0.000 1.329 246 S CA -1.060 57.150 58.200 0.016 0.000 1.036 246 S CB 1.714 64.929 63.200 0.025 0.000 0.919 246 S HN 0.100 nan 8.310 nan 0.000 0.515 247 P HA 0.139 nan 4.420 nan 0.000 0.257 247 P C -0.295 176.996 177.300 -0.015 0.000 1.241 247 P CA 0.136 63.230 63.100 -0.009 0.000 0.816 247 P CB 0.060 31.758 31.700 -0.004 0.000 1.150 248 V N 3.106 123.018 119.914 -0.004 0.000 2.370 248 V HA 0.025 4.147 4.120 0.003 0.000 0.257 248 V C 1.543 177.632 176.094 -0.008 0.000 1.064 248 V CA 0.193 62.494 62.300 0.001 0.000 0.975 248 V CB 0.046 31.882 31.823 0.023 0.000 1.067 248 V HN 0.022 nan 8.190 nan 0.000 0.485 249 D N 3.310 123.686 120.400 -0.039 0.000 2.126 249 D HA -0.217 4.425 4.640 0.003 0.000 0.190 249 D C 2.257 178.540 176.300 -0.028 0.000 1.001 249 D CA 2.107 56.062 54.000 -0.076 0.000 0.841 249 D CB 0.019 40.760 40.800 -0.098 0.000 0.949 249 D HN 0.735 nan 8.370 nan 0.000 0.446 250 S N 0.787 116.483 115.700 -0.007 0.000 2.372 250 S HA -0.187 4.285 4.470 0.003 0.000 0.227 250 S C 2.376 177.068 174.600 0.154 0.000 1.044 250 S CA 1.631 59.842 58.200 0.018 0.000 1.050 250 S CB -0.985 62.270 63.200 0.092 0.000 0.901 250 S HN 0.128 nan 8.310 nan 0.000 0.447 251 V N 2.705 122.729 119.914 0.183 0.000 2.255 251 V HA -0.176 3.946 4.120 0.003 0.000 0.247 251 V C 2.634 178.840 176.094 0.186 0.000 1.051 251 V CA 2.066 64.499 62.300 0.222 0.000 1.018 251 V CB -1.029 30.862 31.823 0.113 0.000 0.641 251 V HN 0.466 nan 8.190 nan 0.000 0.445 252 L N -1.414 119.866 121.223 0.096 0.000 1.990 252 L HA -0.244 4.098 4.340 0.003 0.000 0.213 252 L C 2.407 179.370 176.870 0.155 0.000 1.072 252 L CA 2.076 56.963 54.840 0.079 0.000 0.755 252 L CB -0.743 41.267 42.059 -0.082 0.000 0.889 252 L HN 0.263 nan 8.230 nan 0.000 0.432 253 F N -0.480 119.445 119.950 -0.041 0.000 2.091 253 F HA -0.316 4.211 4.527 0.000 0.000 0.299 253 F C 2.435 178.197 175.800 -0.063 0.000 1.103 253 F CA 1.742 59.732 58.000 -0.017 0.000 1.228 253 F CB -0.411 38.471 39.000 -0.196 0.000 0.984 253 F HN -0.073 nan 8.300 nan 0.000 0.477 254 Y N -0.654 119.753 120.300 0.178 0.000 2.089 254 Y HA -0.285 4.266 4.550 0.002 0.000 0.282 254 Y C 2.589 178.458 175.900 -0.051 0.000 1.139 254 Y CA 1.143 59.251 58.100 0.012 0.000 1.123 254 Y CB -1.059 37.448 38.460 0.079 0.000 0.980 254 Y HN 0.098 nan 8.280 nan 0.000 0.493 255 A N 0.180 123.114 122.820 0.190 0.000 1.859 255 A HA -0.285 4.037 4.320 0.003 0.000 0.217 255 A C 2.159 179.766 177.584 0.038 0.000 1.198 255 A CA 2.200 54.297 52.037 0.100 0.000 0.629 255 A CB -1.175 17.884 19.000 0.097 0.000 0.830 255 A HN 0.472 nan 8.150 nan 0.000 0.446 256 I N -0.207 120.377 120.570 0.024 0.000 2.286 256 I HA -0.168 4.004 4.170 0.003 0.000 0.248 256 I C 2.373 178.423 176.117 -0.112 0.000 1.115 256 I CA 2.320 63.580 61.300 -0.068 0.000 1.392 256 I CB -0.512 37.408 38.000 -0.134 0.000 1.065 256 I HN 0.345 nan 8.210 nan 0.000 0.418 257 T N -0.424 114.045 114.554 -0.142 0.000 2.812 257 T HA -0.124 4.228 4.350 0.003 0.000 0.264 257 T C 1.787 176.449 174.700 -0.063 0.000 1.042 257 T CA 1.886 63.907 62.100 -0.132 0.000 1.140 257 T CB -0.490 68.219 68.868 -0.265 0.000 0.870 257 T HN 0.381 nan 8.240 nan 0.000 0.445 258 T N 2.816 117.332 114.554 -0.063 0.000 2.622 258 T HA -0.011 4.341 4.350 0.003 0.000 0.266 258 T C 2.014 176.720 174.700 0.010 0.000 1.047 258 T CA 1.000 63.098 62.100 -0.004 0.000 1.159 258 T CB -0.642 68.249 68.868 0.038 0.000 0.863 258 T HN 0.214 nan 8.240 nan 0.000 0.422 259 L N 0.100 121.333 121.223 0.017 0.000 2.013 259 L HA -0.234 4.108 4.340 0.003 0.000 0.212 259 L C 2.593 179.486 176.870 0.037 0.000 1.073 259 L CA 1.839 56.693 54.840 0.024 0.000 0.753 259 L CB -0.722 41.343 42.059 0.010 0.000 0.890 259 L HN 0.510 nan 8.230 nan 0.000 0.432 260 H N 0.245 119.257 119.070 -0.096 0.000 2.289 260 H HA -0.203 4.355 4.556 0.002 0.000 0.296 260 H C 2.118 177.377 175.328 -0.113 0.000 1.091 260 H CA 1.795 57.773 56.048 -0.117 0.000 1.274 260 H CB 0.244 29.926 29.762 -0.134 0.000 1.364 260 H HN 0.380 nan 8.280 nan 0.000 0.490 261 N N 0.831 119.452 118.700 -0.132 0.000 2.094 261 N HA -0.164 4.578 4.740 0.003 0.000 0.191 261 N C 2.306 177.735 175.510 -0.134 0.000 1.023 261 N CA 1.002 53.948 53.050 -0.173 0.000 0.857 261 N CB -0.467 37.995 38.487 -0.043 0.000 1.013 261 N HN 0.401 nan 8.380 nan 0.000 0.426 262 L N 0.766 121.953 121.223 -0.061 0.000 2.046 262 L HA -0.130 4.212 4.340 0.003 0.000 0.208 262 L C 2.311 179.127 176.870 -0.089 0.000 1.077 262 L CA 0.846 55.660 54.840 -0.043 0.000 0.747 262 L CB -0.401 41.665 42.059 0.012 0.000 0.896 262 L HN 0.127 nan 8.230 nan 0.000 0.432 263 L N -0.766 120.405 121.223 -0.086 0.000 2.017 263 L HA -0.248 4.094 4.340 0.003 0.000 0.208 263 L C 2.467 179.239 176.870 -0.164 0.000 1.073 263 L CA 1.257 56.046 54.840 -0.086 0.000 0.745 263 L CB -0.456 41.588 42.059 -0.025 0.000 0.894 263 L HN 0.258 nan 8.230 nan 0.000 0.432 264 L N -1.348 119.689 121.223 -0.310 0.000 2.093 264 L HA -0.169 4.172 4.340 0.003 0.000 0.208 264 L C 2.248 178.800 176.870 -0.531 0.000 1.085 264 L CA 0.920 55.452 54.840 -0.514 0.000 0.755 264 L CB -0.403 41.131 42.059 -0.876 0.000 0.904 264 L HN 0.391 nan 8.230 nan 0.000 0.435 265 H N -2.823 116.184 119.070 -0.104 0.000 3.058 265 H HA 0.194 4.751 4.556 0.002 0.000 0.258 265 H C 0.319 175.580 175.328 -0.112 0.000 1.015 265 H CA -0.125 55.869 56.048 -0.090 0.000 1.210 265 H CB 0.504 30.223 29.762 -0.072 0.000 1.481 265 H HN 0.107 nan 8.280 nan 0.000 0.492 266 Q N 2.467 122.231 119.800 -0.059 0.000 2.331 266 Q HA 0.155 4.496 4.340 0.003 0.000 0.257 266 Q C -0.530 175.295 176.000 -0.293 0.000 0.957 266 Q CA -0.484 55.203 55.803 -0.192 0.000 0.923 266 Q CB 1.008 29.590 28.738 -0.261 0.000 1.212 266 Q HN 0.084 nan 8.270 nan 0.000 0.443 267 E N 2.924 122.964 120.200 -0.267 0.000 2.493 267 E HA 0.293 4.645 4.350 0.003 0.000 0.255 267 E C 0.728 177.101 176.600 -0.377 0.000 0.999 267 E CA 1.514 57.775 56.400 -0.232 0.000 0.934 267 E CB -0.283 29.331 29.700 -0.143 0.000 0.940 267 E HN 0.796 nan 8.360 nan 0.000 0.473 268 G N 3.015 111.680 108.800 -0.225 0.000 2.194 268 G HA2 -0.325 3.637 3.960 0.003 0.000 0.236 268 G HA3 -0.325 3.637 3.960 0.003 0.000 0.236 268 G C 1.077 175.949 174.900 -0.047 0.000 0.987 268 G CA 0.351 45.382 45.100 -0.115 0.000 0.635 268 G HN 0.914 nan 8.290 nan 0.000 0.520 269 A N 0.449 123.150 122.820 -0.199 0.000 1.902 269 A HA 0.097 4.419 4.320 0.003 0.000 0.217 269 A C 2.201 179.814 177.584 0.048 0.000 1.181 269 A CA 2.272 54.298 52.037 -0.017 0.000 0.623 269 A CB -0.409 18.535 19.000 -0.094 0.000 0.818 269 A HN 0.534 nan 8.150 nan 0.000 0.443 270 K N -1.476 118.926 120.400 0.003 0.000 1.978 270 K HA -0.170 4.152 4.320 0.003 0.000 0.214 270 K C 2.049 178.669 176.600 0.033 0.000 1.049 270 K CA 1.751 58.046 56.287 0.013 0.000 0.939 270 K CB -0.341 32.159 32.500 -0.001 0.000 0.721 270 K HN 0.378 nan 8.250 nan 0.000 0.441 271 M N 1.022 120.646 119.600 0.041 0.000 2.202 271 M HA -0.138 4.344 4.480 0.003 0.000 0.262 271 M C 1.970 178.307 176.300 0.063 0.000 1.063 271 M CA 1.417 56.744 55.300 0.045 0.000 1.097 271 M CB -0.340 32.289 32.600 0.047 0.000 1.382 271 M HN 0.242 nan 8.290 nan 0.000 0.413 272 A N -1.420 121.466 122.820 0.109 0.000 1.898 272 A HA -0.085 4.237 4.320 0.003 0.000 0.216 272 A C 2.167 179.793 177.584 0.071 0.000 1.181 272 A CA 1.780 53.886 52.037 0.115 0.000 0.620 272 A CB -1.036 18.106 19.000 0.238 0.000 0.819 272 A HN 0.316 nan 8.150 nan 0.000 0.442 273 V N 0.136 120.091 119.914 0.067 0.000 2.515 273 V HA -0.221 3.901 4.120 0.003 0.000 0.250 273 V C 2.615 178.722 176.094 0.020 0.000 1.058 273 V CA 1.966 64.289 62.300 0.039 0.000 1.064 273 V CB -0.801 31.039 31.823 0.029 0.000 0.675 273 V HN 0.504 nan 8.190 nan 0.000 0.461 274 R N -0.386 120.125 120.500 0.019 0.000 2.075 274 R HA -0.031 4.311 4.340 0.003 0.000 0.232 274 R C 2.296 178.600 176.300 0.008 0.000 1.126 274 R CA 1.215 57.320 56.100 0.008 0.000 0.963 274 R CB -0.393 29.911 30.300 0.006 0.000 0.858 274 R HN 0.397 nan 8.270 nan 0.000 0.435 275 L N 0.332 121.564 121.223 0.014 0.000 2.083 275 L HA -0.110 4.232 4.340 0.003 0.000 0.209 275 L C 2.519 179.391 176.870 0.004 0.000 1.083 275 L CA 1.037 55.882 54.840 0.008 0.000 0.752 275 L CB -0.467 41.598 42.059 0.010 0.000 0.899 275 L HN 0.235 nan 8.230 nan 0.000 0.433 276 A N -0.473 122.352 122.820 0.008 0.000 2.121 276 A HA 0.097 4.418 4.320 0.003 0.000 0.218 276 A C 1.714 179.300 177.584 0.003 0.000 1.154 276 A CA 1.040 53.079 52.037 0.004 0.000 0.679 276 A CB -0.542 18.463 19.000 0.009 0.000 0.795 276 A HN 0.567 nan 8.150 nan 0.000 0.458 277 G N -2.523 106.278 108.800 0.002 0.000 2.130 277 G HA2 -0.094 3.868 3.960 0.003 0.000 0.216 277 G HA3 -0.094 3.868 3.960 0.003 0.000 0.216 277 G C 1.142 176.041 174.900 -0.001 0.000 0.999 277 G CA 0.600 45.700 45.100 -0.000 0.000 0.686 277 G HN 1.218 nan 8.290 nan 0.000 0.515 278 G N 0.308 109.108 108.800 -0.001 0.000 2.422 278 G HA2 -0.045 3.916 3.960 0.003 0.000 0.218 278 G HA3 -0.045 3.916 3.960 0.003 0.000 0.218 278 G C 1.867 176.759 174.900 -0.014 0.000 1.146 278 G CA 1.270 46.367 45.100 -0.005 0.000 0.769 278 G HN 0.647 nan 8.290 nan 0.000 0.547 279 L N -0.187 121.026 121.223 -0.016 0.000 2.013 279 L HA -0.235 4.107 4.340 0.003 0.000 0.212 279 L C 2.989 179.847 176.870 -0.020 0.000 1.073 279 L CA 1.959 56.785 54.840 -0.024 0.000 0.753 279 L CB -0.550 41.495 42.059 -0.022 0.000 0.890 279 L HN 0.331 nan 8.230 nan 0.000 0.432 280 Q N 0.321 120.114 119.800 -0.012 0.000 2.050 280 Q HA -0.228 4.114 4.340 0.003 0.000 0.202 280 Q C 2.224 178.223 176.000 -0.002 0.000 0.980 280 Q CA 1.624 57.423 55.803 -0.007 0.000 0.840 280 Q CB 0.103 28.839 28.738 -0.003 0.000 0.898 280 Q HN 0.403 nan 8.270 nan 0.000 0.424 281 K N -0.273 120.128 120.400 0.001 0.000 2.147 281 K HA -0.129 4.193 4.320 0.003 0.000 0.205 281 K C 2.080 178.686 176.600 0.010 0.000 1.049 281 K CA 1.374 57.668 56.287 0.011 0.000 0.936 281 K CB -0.075 32.434 32.500 0.014 0.000 0.722 281 K HN 0.345 nan 8.250 nan 0.000 0.446 282 M N 0.309 119.901 119.600 -0.013 0.000 2.156 282 M HA -0.128 4.354 4.480 0.003 0.000 0.264 282 M C 2.189 178.466 176.300 -0.039 0.000 1.067 282 M CA 1.165 56.441 55.300 -0.040 0.000 1.131 282 M CB -0.073 32.481 32.600 -0.076 0.000 1.368 282 M HN -0.099 nan 8.290 nan 0.000 0.416 283 V N 0.392 120.289 119.914 -0.030 0.000 2.490 283 V HA -0.224 3.898 4.120 0.003 0.000 0.250 283 V C 2.566 178.660 176.094 0.001 0.000 1.061 283 V CA 1.855 64.141 62.300 -0.023 0.000 1.064 283 V CB -1.265 30.547 31.823 -0.018 0.000 0.670 283 V HN 0.510 nan 8.190 nan 0.000 0.461 284 A N -0.345 122.482 122.820 0.012 0.000 2.019 284 A HA -0.103 4.219 4.320 0.003 0.000 0.219 284 A C 2.151 179.767 177.584 0.054 0.000 1.164 284 A CA 1.443 53.497 52.037 0.028 0.000 0.644 284 A CB -0.464 18.552 19.000 0.026 0.000 0.805 284 A HN 0.531 nan 8.150 nan 0.000 0.449 285 L N -0.461 120.806 121.223 0.073 0.000 2.395 285 L HA -0.008 4.333 4.340 0.003 0.000 0.218 285 L C 1.816 178.783 176.870 0.163 0.000 1.130 285 L CA 0.189 55.129 54.840 0.166 0.000 0.826 285 L CB -0.298 41.917 42.059 0.260 0.000 0.941 285 L HN 0.366 nan 8.230 nan 0.000 0.451 286 L N -0.163 121.096 121.223 0.060 0.000 2.549 286 L HA -0.187 4.155 4.340 0.003 0.000 0.230 286 L C 1.841 178.754 176.870 0.072 0.000 1.162 286 L CA 0.573 55.434 54.840 0.033 0.000 0.834 286 L CB -0.661 41.396 42.059 -0.002 0.000 0.947 286 L HN 0.357 nan 8.230 nan 0.000 0.452 287 N N -0.280 118.472 118.700 0.086 0.000 2.459 287 N HA -0.081 4.661 4.740 0.003 0.000 0.181 287 N C 0.824 176.396 175.510 0.102 0.000 1.046 287 N CA 0.570 53.671 53.050 0.085 0.000 0.904 287 N CB 0.288 38.813 38.487 0.063 0.000 0.964 287 N HN 0.046 nan 8.380 nan 0.000 0.444 288 K N -0.699 119.777 120.400 0.127 0.000 2.143 288 K HA 0.053 4.375 4.320 0.003 0.000 0.239 288 K C 1.108 177.791 176.600 0.139 0.000 1.048 288 K CA 0.678 57.034 56.287 0.116 0.000 0.867 288 K CB 0.067 32.658 32.500 0.151 0.000 1.088 288 K HN 0.261 nan 8.250 nan 0.000 0.510 289 T N -3.606 111.025 114.554 0.128 0.000 3.058 289 T HA 0.036 4.388 4.350 0.003 0.000 0.278 289 T C 0.356 175.151 174.700 0.159 0.000 0.974 289 T CA -0.404 61.812 62.100 0.195 0.000 0.893 289 T CB 0.005 68.992 68.868 0.198 0.000 1.138 289 T HN 0.354 nan 8.240 nan 0.000 0.529 290 N N 3.080 121.859 118.700 0.131 0.000 2.415 290 N HA 0.107 4.849 4.740 0.003 0.000 0.250 290 N C 1.778 177.375 175.510 0.144 0.000 1.127 290 N CA 0.221 53.361 53.050 0.150 0.000 0.945 290 N CB 1.527 40.137 38.487 0.205 0.000 1.196 290 N HN 0.246 nan 8.380 nan 0.000 0.499 291 V N 3.583 123.531 119.914 0.057 0.000 2.250 291 V HA -0.322 3.800 4.120 0.003 0.000 0.253 291 V C 1.989 178.174 176.094 0.152 0.000 1.065 291 V CA 1.567 63.888 62.300 0.035 0.000 1.039 291 V CB -0.661 31.195 31.823 0.054 0.000 0.647 291 V HN 0.557 nan 8.190 nan 0.000 0.446 292 K N -0.367 120.128 120.400 0.157 0.000 2.147 292 K HA -0.121 4.201 4.320 0.003 0.000 0.205 292 K C 2.044 178.754 176.600 0.184 0.000 1.049 292 K CA 1.859 58.294 56.287 0.247 0.000 0.936 292 K CB -0.476 32.181 32.500 0.262 0.000 0.722 292 K HN 0.610 nan 8.250 nan 0.000 0.446 293 F N 2.239 122.223 119.950 0.057 0.000 2.060 293 F HA -0.117 4.412 4.527 0.002 0.000 0.295 293 F C 1.957 177.638 175.800 -0.199 0.000 1.120 293 F CA 1.139 59.015 58.000 -0.206 0.000 1.205 293 F CB -0.463 38.503 39.000 -0.056 0.000 0.986 293 F HN -0.169 nan 8.300 nan 0.000 0.470 294 L N 0.247 121.375 121.223 -0.158 0.000 2.043 294 L HA -0.287 4.054 4.340 0.003 0.000 0.212 294 L C 2.799 179.489 176.870 -0.299 0.000 1.075 294 L CA 1.263 55.935 54.840 -0.279 0.000 0.752 294 L CB -1.420 40.522 42.059 -0.196 0.000 0.891 294 L HN 0.335 nan 8.230 nan 0.000 0.432 295 A N 0.750 123.469 122.820 -0.168 0.000 1.859 295 A HA -0.234 4.088 4.320 0.003 0.000 0.217 295 A C 2.126 179.539 177.584 -0.285 0.000 1.198 295 A CA 1.945 53.896 52.037 -0.143 0.000 0.629 295 A CB -0.629 18.388 19.000 0.028 0.000 0.830 295 A HN 0.277 nan 8.150 nan 0.000 0.446 296 I N 0.304 120.653 120.570 -0.368 0.000 2.091 296 I HA -0.250 3.922 4.170 0.003 0.000 0.239 296 I C 2.598 178.327 176.117 -0.646 0.000 1.061 296 I CA 2.319 63.272 61.300 -0.578 0.000 1.317 296 I CB -2.377 35.273 38.000 -0.583 0.000 1.031 296 I HN 0.328 nan 8.210 nan 0.000 0.401 297 T N 1.284 115.428 114.554 -0.683 0.000 2.592 297 T HA -0.259 4.092 4.350 0.003 0.000 0.267 297 T C 1.905 176.366 174.700 -0.398 0.000 1.060 297 T CA 3.055 64.800 62.100 -0.593 0.000 1.167 297 T CB -1.091 67.340 68.868 -0.729 0.000 0.863 297 T HN 0.640 nan 8.240 nan 0.000 0.431 298 T N 0.635 114.982 114.554 -0.345 0.000 2.720 298 T HA -0.210 4.142 4.350 0.003 0.000 0.268 298 T C 1.748 176.291 174.700 -0.262 0.000 1.037 298 T CA 1.824 63.769 62.100 -0.258 0.000 1.144 298 T CB -0.709 68.024 68.868 -0.224 0.000 0.864 298 T HN 0.340 nan 8.240 nan 0.000 0.444 299 D N 0.222 120.433 120.400 -0.315 0.000 2.178 299 D HA -0.050 4.592 4.640 0.003 0.000 0.201 299 D C 2.103 178.262 176.300 -0.235 0.000 0.980 299 D CA 0.732 54.561 54.000 -0.285 0.000 0.842 299 D CB -0.634 39.987 40.800 -0.299 0.000 0.948 299 D HN 0.514 nan 8.370 nan 0.000 0.472 300 C N -0.308 118.813 119.300 -0.299 0.000 2.462 300 C HA -0.014 4.448 4.460 0.003 0.000 0.278 300 C C 2.843 177.754 174.990 -0.133 0.000 1.253 300 C CA 0.149 59.057 59.018 -0.182 0.000 1.713 300 C CB -1.164 26.449 27.740 -0.213 0.000 2.049 300 C HN 0.423 nan 8.230 nan 0.000 0.477 301 L N 0.587 121.716 121.223 -0.157 0.000 2.013 301 L HA -0.264 4.078 4.340 0.003 0.000 0.212 301 L C 2.943 179.757 176.870 -0.094 0.000 1.073 301 L CA 1.725 56.496 54.840 -0.116 0.000 0.753 301 L CB -0.770 41.214 42.059 -0.126 0.000 0.890 301 L HN 0.480 nan 8.230 nan 0.000 0.432 302 Q N 0.605 120.333 119.800 -0.120 0.000 2.050 302 Q HA -0.222 4.119 4.340 0.003 0.000 0.202 302 Q C 2.251 178.221 176.000 -0.049 0.000 0.980 302 Q CA 1.911 57.654 55.803 -0.100 0.000 0.840 302 Q CB -0.224 28.412 28.738 -0.169 0.000 0.898 302 Q HN 0.567 nan 8.270 nan 0.000 0.424 303 I N 0.720 121.254 120.570 -0.061 0.000 2.208 303 I HA -0.322 3.849 4.170 0.003 0.000 0.245 303 I C 2.281 178.403 176.117 0.009 0.000 1.097 303 I CA 1.026 62.311 61.300 -0.026 0.000 1.363 303 I CB -0.282 37.702 38.000 -0.027 0.000 1.051 303 I HN 0.174 nan 8.210 nan 0.000 0.413 304 L N 0.119 121.335 121.223 -0.011 0.000 2.240 304 L HA -0.010 4.332 4.340 0.003 0.000 0.211 304 L C 2.638 179.507 176.870 -0.002 0.000 1.106 304 L CA 0.817 55.653 54.840 -0.006 0.000 0.793 304 L CB -0.514 41.532 42.059 -0.022 0.000 0.927 304 L HN 0.164 nan 8.230 nan 0.000 0.446 305 A N -1.019 121.800 122.820 -0.001 0.000 1.935 305 A HA -0.121 4.201 4.320 0.003 0.000 0.214 305 A C 0.865 178.450 177.584 0.001 0.000 1.178 305 A CA -0.020 52.011 52.037 -0.010 0.000 0.640 305 A CB -0.497 18.491 19.000 -0.021 0.000 0.825 305 A HN 0.278 nan 8.150 nan 0.000 0.447 306 Y N 1.587 121.846 120.300 -0.069 0.000 2.865 306 Y HA 0.221 4.774 4.550 0.005 0.000 0.338 306 Y C 1.461 177.328 175.900 -0.055 0.000 1.269 306 Y CA 0.725 58.785 58.100 -0.068 0.000 1.585 306 Y CB -0.251 38.165 38.460 -0.072 0.000 1.224 306 Y HN 0.579 nan 8.280 nan 0.000 0.554 307 G N 4.306 112.663 108.800 -0.739 0.000 2.212 307 G HA2 -0.366 3.595 3.960 0.003 0.000 0.267 307 G HA3 -0.366 3.595 3.960 0.003 0.000 0.267 307 G C 0.067 174.823 174.900 -0.240 0.000 1.002 307 G CA 0.455 45.235 45.100 -0.534 0.000 0.729 307 G HN 0.823 nan 8.290 nan 0.000 0.517 308 N N -0.084 118.520 118.700 -0.160 0.000 2.483 308 N HA 0.326 5.068 4.740 0.003 0.000 0.267 308 N C 1.287 176.751 175.510 -0.077 0.000 0.998 308 N CA -0.314 52.680 53.050 -0.093 0.000 0.918 308 N CB 0.948 39.402 38.487 -0.056 0.000 1.215 308 N HN 0.407 nan 8.380 nan 0.000 0.500 309 Q N 1.877 121.636 119.800 -0.069 0.000 2.016 309 Q HA -0.157 4.185 4.340 0.003 0.000 0.200 309 Q C 0.685 176.660 176.000 -0.041 0.000 0.978 309 Q CA 1.643 57.413 55.803 -0.055 0.000 0.833 309 Q CB 0.162 28.870 28.738 -0.050 0.000 0.895 309 Q HN 0.573 nan 8.270 nan 0.000 0.427 310 E N 0.602 120.781 120.200 -0.034 0.000 2.114 310 E HA -0.188 4.163 4.350 0.003 0.000 0.199 310 E C 2.098 178.682 176.600 -0.026 0.000 1.008 310 E CA 1.606 57.991 56.400 -0.026 0.000 0.810 310 E CB -0.300 29.387 29.700 -0.021 0.000 0.739 310 E HN 0.134 nan 8.360 nan 0.000 0.456 311 S N 0.348 116.030 115.700 -0.029 0.000 2.348 311 S HA -0.149 4.323 4.470 0.003 0.000 0.221 311 S C 1.732 176.314 174.600 -0.031 0.000 1.033 311 S CA 1.292 59.475 58.200 -0.028 0.000 1.010 311 S CB -0.207 62.976 63.200 -0.029 0.000 0.891 311 S HN 0.206 nan 8.310 nan 0.000 0.442 312 K N 0.955 121.333 120.400 -0.037 0.000 2.089 312 K HA -0.112 4.209 4.320 0.003 0.000 0.210 312 K C 2.063 178.646 176.600 -0.029 0.000 1.048 312 K CA 1.201 57.466 56.287 -0.036 0.000 0.926 312 K CB -0.462 32.011 32.500 -0.044 0.000 0.714 312 K HN 0.285 nan 8.250 nan 0.000 0.448 313 L N 0.651 121.858 121.223 -0.027 0.000 1.994 313 L HA -0.206 4.135 4.340 0.003 0.000 0.208 313 L C 2.446 179.305 176.870 -0.018 0.000 1.071 313 L CA 1.254 56.081 54.840 -0.022 0.000 0.745 313 L CB -0.389 41.658 42.059 -0.020 0.000 0.892 313 L HN 0.194 nan 8.230 nan 0.000 0.431 314 I N -0.116 120.443 120.570 -0.019 0.000 2.208 314 I HA -0.356 3.816 4.170 0.003 0.000 0.245 314 I C 2.429 178.536 176.117 -0.017 0.000 1.097 314 I CA 1.502 62.793 61.300 -0.016 0.000 1.363 314 I CB -0.170 37.821 38.000 -0.016 0.000 1.051 314 I HN 0.211 nan 8.210 nan 0.000 0.413 315 I N -0.045 120.512 120.570 -0.021 0.000 2.208 315 I HA -0.315 3.856 4.170 0.003 0.000 0.245 315 I C 2.504 178.610 176.117 -0.017 0.000 1.097 315 I CA 1.198 62.484 61.300 -0.023 0.000 1.363 315 I CB -0.340 37.643 38.000 -0.029 0.000 1.051 315 I HN 0.278 nan 8.210 nan 0.000 0.413 316 L N 1.448 122.661 121.223 -0.016 0.000 1.994 316 L HA -0.139 4.203 4.340 0.003 0.000 0.208 316 L C 2.566 179.431 176.870 -0.009 0.000 1.071 316 L CA 2.254 57.087 54.840 -0.012 0.000 0.745 316 L CB -0.952 41.099 42.059 -0.013 0.000 0.892 316 L HN 0.171 nan 8.230 nan 0.000 0.431 317 A N -1.459 121.356 122.820 -0.009 0.000 2.024 317 A HA -0.150 4.172 4.320 0.003 0.000 0.220 317 A C 2.154 179.735 177.584 -0.005 0.000 1.164 317 A CA 1.845 53.878 52.037 -0.007 0.000 0.643 317 A CB -0.796 18.199 19.000 -0.008 0.000 0.806 317 A HN 0.556 nan 8.150 nan 0.000 0.451 318 S N -1.219 114.477 115.700 -0.006 0.000 2.660 318 S HA 0.389 4.861 4.470 0.003 0.000 0.227 318 S C 1.163 175.762 174.600 -0.002 0.000 0.948 318 S CA 0.549 58.746 58.200 -0.004 0.000 0.948 318 S CB -0.123 63.074 63.200 -0.006 0.000 0.779 318 S HN 1.589 nan 8.310 nan 0.000 0.487 319 G N 1.259 110.058 108.800 -0.002 0.000 2.198 319 G HA2 -0.248 3.714 3.960 0.003 0.000 0.257 319 G HA3 -0.248 3.714 3.960 0.003 0.000 0.257 319 G C 0.845 175.746 174.900 0.001 0.000 1.042 319 G CA 0.181 45.282 45.100 0.002 0.000 0.791 319 G HN 0.600 nan 8.290 nan 0.000 0.502 320 G N 0.642 109.438 108.800 -0.006 0.000 2.459 320 G HA2 -0.009 3.953 3.960 0.003 0.000 0.217 320 G HA3 -0.009 3.953 3.960 0.003 0.000 0.217 320 G C 0.172 175.069 174.900 -0.005 0.000 1.183 320 G CA 1.689 46.783 45.100 -0.010 0.000 0.776 320 G HN 0.534 nan 8.290 nan 0.000 0.552 321 P HA -0.191 nan 4.420 nan 0.000 0.215 321 P C 1.851 179.158 177.300 0.011 0.000 1.163 321 P CA 1.842 64.944 63.100 0.003 0.000 0.894 321 P CB 0.000 31.702 31.700 0.003 0.000 0.791 322 Q N -0.533 119.275 119.800 0.013 0.000 2.124 322 Q HA -0.122 4.220 4.340 0.003 0.000 0.202 322 Q C 2.028 178.045 176.000 0.028 0.000 0.977 322 Q CA 2.090 57.905 55.803 0.020 0.000 0.850 322 Q CB -1.283 27.466 28.738 0.017 0.000 0.901 322 Q HN 0.136 nan 8.270 nan 0.000 0.429 323 A N -0.191 122.643 122.820 0.023 0.000 1.872 323 A HA -0.088 4.233 4.320 0.003 0.000 0.214 323 A C 2.109 179.713 177.584 0.034 0.000 1.187 323 A CA 1.269 53.325 52.037 0.031 0.000 0.614 323 A CB -0.771 18.240 19.000 0.019 0.000 0.826 323 A HN 0.414 nan 8.150 nan 0.000 0.442 324 L N -0.458 120.774 121.223 0.015 0.000 1.989 324 L HA -0.198 4.144 4.340 0.003 0.000 0.211 324 L C 2.558 179.451 176.870 0.039 0.000 1.071 324 L CA 1.344 56.191 54.840 0.010 0.000 0.749 324 L CB -0.827 41.226 42.059 -0.009 0.000 0.890 324 L HN 0.238 nan 8.230 nan 0.000 0.431 325 V N 0.387 120.326 119.914 0.041 0.000 2.252 325 V HA -0.366 3.756 4.120 0.003 0.000 0.249 325 V C 2.135 178.277 176.094 0.080 0.000 1.056 325 V CA 2.471 64.805 62.300 0.057 0.000 1.022 325 V CB -0.869 30.980 31.823 0.043 0.000 0.641 325 V HN 0.524 nan 8.190 nan 0.000 0.445 326 N N -0.167 118.579 118.700 0.076 0.000 2.091 326 N HA -0.225 4.517 4.740 0.003 0.000 0.193 326 N C 1.820 177.423 175.510 0.156 0.000 1.021 326 N CA 1.736 54.844 53.050 0.096 0.000 0.862 326 N CB -0.278 38.263 38.487 0.091 0.000 1.018 326 N HN 0.437 nan 8.380 nan 0.000 0.429 327 I N 0.940 121.616 120.570 0.176 0.000 2.099 327 I HA -0.295 3.877 4.170 0.003 0.000 0.239 327 I C 2.246 178.520 176.117 0.261 0.000 1.066 327 I CA 1.003 62.468 61.300 0.274 0.000 1.324 327 I CB -0.277 37.794 38.000 0.118 0.000 1.037 327 I HN 0.209 nan 8.210 nan 0.000 0.401 328 M N 0.716 120.419 119.600 0.172 0.000 2.143 328 M HA -0.223 4.259 4.480 0.003 0.000 0.258 328 M C 2.114 178.594 176.300 0.299 0.000 1.071 328 M CA 1.792 57.220 55.300 0.213 0.000 1.088 328 M CB -1.252 31.458 32.600 0.184 0.000 1.360 328 M HN 0.417 nan 8.290 nan 0.000 0.404 329 R N -2.095 118.513 120.500 0.181 0.000 2.334 329 R HA 0.166 4.507 4.340 0.003 0.000 0.216 329 R C 1.122 177.462 176.300 0.067 0.000 0.905 329 R CA 0.670 56.837 56.100 0.111 0.000 1.064 329 R CB -0.323 30.011 30.300 0.056 0.000 1.046 329 R HN 0.183 nan 8.270 nan 0.000 0.508 330 T N -0.315 114.284 114.554 0.075 0.000 3.085 330 T HA 0.169 4.521 4.350 0.003 0.000 0.241 330 T C -0.205 174.369 174.700 -0.210 0.000 0.988 330 T CA 0.354 62.388 62.100 -0.110 0.000 1.117 330 T CB -0.063 68.650 68.868 -0.257 0.000 0.978 330 T HN 0.037 nan 8.240 nan 0.000 0.454 331 Y N 1.742 122.100 120.300 0.097 0.000 2.334 331 Y HA 0.409 4.961 4.550 0.003 0.000 0.325 331 Y C 1.701 177.677 175.900 0.126 0.000 1.308 331 Y CA -0.505 57.660 58.100 0.108 0.000 1.389 331 Y CB 0.612 39.142 38.460 0.118 0.000 1.328 331 Y HN 0.049 nan 8.280 nan 0.000 0.532 332 T N -3.302 111.428 114.554 0.295 0.000 3.170 332 T HA 0.082 4.433 4.350 0.003 0.000 0.288 332 T C -0.617 174.238 174.700 0.258 0.000 0.992 332 T CA -0.165 62.069 62.100 0.224 0.000 0.909 332 T CB -0.624 68.340 68.868 0.159 0.000 1.133 332 T HN 0.400 nan 8.240 nan 0.000 0.530 333 Y N 3.483 123.866 120.300 0.139 0.000 2.613 333 Y HA 0.336 4.886 4.550 -0.001 0.000 0.354 333 Y C 1.459 177.403 175.900 0.073 0.000 1.063 333 Y CA -1.812 56.346 58.100 0.096 0.000 1.384 333 Y CB 0.221 38.737 38.460 0.093 0.000 1.199 333 Y HN 0.180 nan 8.280 nan 0.000 0.517 334 E N 4.196 124.385 120.200 -0.018 0.000 2.164 334 E HA -0.426 3.926 4.350 0.003 0.000 0.233 334 E C 1.796 178.243 176.600 -0.255 0.000 1.073 334 E CA 2.568 58.892 56.400 -0.128 0.000 0.941 334 E CB 0.020 29.664 29.700 -0.094 0.000 0.820 334 E HN 0.806 nan 8.360 nan 0.000 0.486 335 K N 0.057 120.122 120.400 -0.558 0.000 2.077 335 K HA -0.224 4.097 4.320 0.003 0.000 0.213 335 K C 2.390 178.840 176.600 -0.251 0.000 1.051 335 K CA 1.931 57.976 56.287 -0.403 0.000 0.929 335 K CB -0.605 31.514 32.500 -0.636 0.000 0.715 335 K HN 0.171 nan 8.250 nan 0.000 0.451 336 L N 1.023 121.981 121.223 -0.441 0.000 1.994 336 L HA -0.119 4.223 4.340 0.003 0.000 0.208 336 L C 1.979 178.793 176.870 -0.095 0.000 1.071 336 L CA 1.693 56.436 54.840 -0.161 0.000 0.745 336 L CB -0.721 41.326 42.059 -0.020 0.000 0.892 336 L HN 0.337 nan 8.230 nan 0.000 0.431 337 L N -1.745 119.436 121.223 -0.069 0.000 2.043 337 L HA -0.279 4.063 4.340 0.003 0.000 0.212 337 L C 2.446 179.294 176.870 -0.037 0.000 1.075 337 L CA 1.935 56.727 54.840 -0.081 0.000 0.752 337 L CB -0.794 41.172 42.059 -0.154 0.000 0.891 337 L HN 0.588 nan 8.230 nan 0.000 0.432 338 W N 0.907 122.101 121.300 -0.177 0.000 2.354 338 W HA -0.205 4.458 4.660 0.006 0.000 0.315 338 W C 2.545 179.005 176.519 -0.100 0.000 1.206 338 W CA 2.119 59.386 57.345 -0.129 0.000 1.290 338 W CB -0.733 28.652 29.460 -0.125 0.000 1.152 338 W HN -0.047 nan 8.180 nan 0.000 0.489 339 T N 0.460 114.849 114.554 -0.275 0.000 2.684 339 T HA -0.248 4.104 4.350 0.003 0.000 0.267 339 T C 1.611 176.107 174.700 -0.339 0.000 1.036 339 T CA 2.805 64.612 62.100 -0.488 0.000 1.148 339 T CB -0.966 67.726 68.868 -0.294 0.000 0.863 339 T HN 0.191 nan 8.240 nan 0.000 0.436 340 T N 2.184 116.614 114.554 -0.207 0.000 2.720 340 T HA -0.150 4.202 4.350 0.003 0.000 0.268 340 T C 2.450 177.072 174.700 -0.130 0.000 1.037 340 T CA 1.655 63.667 62.100 -0.147 0.000 1.144 340 T CB -0.527 68.288 68.868 -0.089 0.000 0.864 340 T HN 0.630 nan 8.240 nan 0.000 0.444 341 S N 1.906 117.528 115.700 -0.130 0.000 2.402 341 S HA -0.089 4.383 4.470 0.003 0.000 0.229 341 S C 2.045 176.582 174.600 -0.105 0.000 1.021 341 S CA 0.590 58.744 58.200 -0.076 0.000 0.974 341 S CB -0.368 62.816 63.200 -0.027 0.000 0.800 341 S HN 0.483 nan 8.310 nan 0.000 0.484 342 R N 0.543 120.894 120.500 -0.248 0.000 2.115 342 R HA 0.063 4.405 4.340 0.003 0.000 0.230 342 R C 2.229 178.434 176.300 -0.158 0.000 1.111 342 R CA 1.217 57.165 56.100 -0.253 0.000 0.976 342 R CB -0.666 29.330 30.300 -0.507 0.000 0.870 342 R HN 0.347 nan 8.270 nan 0.000 0.445 343 V N 1.476 121.295 119.914 -0.159 0.000 2.270 343 V HA -0.208 3.913 4.120 0.003 0.000 0.245 343 V C 2.316 178.375 176.094 -0.058 0.000 1.043 343 V CA 1.575 63.812 62.300 -0.105 0.000 1.014 343 V CB -0.407 31.349 31.823 -0.111 0.000 0.645 343 V HN 0.239 nan 8.190 nan 0.000 0.447 344 L N 0.091 121.285 121.223 -0.048 0.000 2.013 344 L HA -0.265 4.077 4.340 0.003 0.000 0.212 344 L C 2.660 179.531 176.870 0.002 0.000 1.073 344 L CA 2.126 56.957 54.840 -0.015 0.000 0.753 344 L CB -0.663 41.397 42.059 0.000 0.000 0.890 344 L HN 0.340 nan 8.230 nan 0.000 0.432 345 K N 0.149 120.555 120.400 0.011 0.000 2.032 345 K HA -0.196 4.126 4.320 0.003 0.000 0.209 345 K C 1.962 178.571 176.600 0.014 0.000 1.048 345 K CA 1.906 58.216 56.287 0.038 0.000 0.927 345 K CB -0.107 32.432 32.500 0.064 0.000 0.712 345 K HN 0.151 nan 8.250 nan 0.000 0.441 346 V N 1.809 121.725 119.914 0.004 0.000 2.407 346 V HA -0.230 3.892 4.120 0.003 0.000 0.248 346 V C 2.315 178.399 176.094 -0.017 0.000 1.055 346 V CA 1.460 63.767 62.300 0.011 0.000 1.049 346 V CB -0.306 31.541 31.823 0.040 0.000 0.662 346 V HN 0.313 nan 8.190 nan 0.000 0.455 347 L N 0.665 121.878 121.223 -0.017 0.000 2.179 347 L HA -0.079 4.263 4.340 0.003 0.000 0.208 347 L C 2.647 179.509 176.870 -0.014 0.000 1.096 347 L CA 1.409 56.237 54.840 -0.021 0.000 0.779 347 L CB -0.664 41.384 42.059 -0.019 0.000 0.922 347 L HN 0.533 nan 8.230 nan 0.000 0.443 348 S N 0.009 115.707 115.700 -0.003 0.000 2.465 348 S HA -0.122 4.350 4.470 0.003 0.000 0.241 348 S C 1.724 176.323 174.600 -0.002 0.000 1.000 348 S CA 1.084 59.288 58.200 0.006 0.000 0.964 348 S CB -0.823 62.392 63.200 0.025 0.000 0.763 348 S HN 0.370 nan 8.310 nan 0.000 0.512 349 V N -1.325 118.579 119.914 -0.016 0.000 3.541 349 V HA 0.276 4.398 4.120 0.003 0.000 0.267 349 V C 1.305 177.381 176.094 -0.030 0.000 1.213 349 V CA -0.242 62.042 62.300 -0.026 0.000 1.149 349 V CB -1.665 30.131 31.823 -0.046 0.000 0.822 349 V HN 0.672 nan 8.190 nan 0.000 0.462 350 C N 2.679 121.961 119.300 -0.029 0.000 2.514 350 C HA 0.498 4.960 4.460 0.003 0.000 0.392 350 C C 2.471 177.449 174.990 -0.019 0.000 1.294 350 C CA 0.434 59.434 59.018 -0.029 0.000 1.957 350 C CB 0.598 28.319 27.740 -0.031 0.000 2.541 350 C HN 0.746 nan 8.230 nan 0.000 0.569 351 S N 3.566 119.255 115.700 -0.018 0.000 2.419 351 S HA -0.108 4.364 4.470 0.003 0.000 0.233 351 S C 1.544 176.138 174.600 -0.010 0.000 1.016 351 S CA 1.667 59.860 58.200 -0.012 0.000 0.974 351 S CB -0.233 62.960 63.200 -0.012 0.000 0.786 351 S HN 0.833 nan 8.310 nan 0.000 0.492 352 S N 1.985 117.678 115.700 -0.013 0.000 2.470 352 S HA 0.183 4.655 4.470 0.003 0.000 0.222 352 S C 1.524 176.119 174.600 -0.009 0.000 1.024 352 S CA 0.504 58.697 58.200 -0.011 0.000 0.931 352 S CB -0.328 62.865 63.200 -0.012 0.000 0.791 352 S HN 0.605 nan 8.310 nan 0.000 0.513 353 N N 1.541 120.235 118.700 -0.011 0.000 2.333 353 N HA 0.085 4.827 4.740 0.003 0.000 0.178 353 N C 1.504 177.012 175.510 -0.004 0.000 1.018 353 N CA 0.569 53.614 53.050 -0.009 0.000 0.882 353 N CB -0.044 38.435 38.487 -0.012 0.000 0.984 353 N HN 0.274 nan 8.380 nan 0.000 0.434 354 K N 1.210 121.608 120.400 -0.003 0.000 2.001 354 K HA -0.169 4.153 4.320 0.003 0.000 0.223 354 K C -0.911 175.691 176.600 0.003 0.000 1.055 354 K CA 2.075 58.364 56.287 0.002 0.000 0.965 354 K CB -0.871 31.630 32.500 0.002 0.000 0.730 354 K HN 0.124 nan 8.250 nan 0.000 0.449 355 P HA -0.222 nan 4.420 nan 0.000 0.216 355 P C 1.094 178.394 177.300 0.001 0.000 1.153 355 P CA 2.264 65.365 63.100 0.001 0.000 0.858 355 P CB -0.144 31.556 31.700 -0.001 0.000 0.789 356 A N 0.468 123.288 122.820 0.000 0.000 1.873 356 A HA -0.197 4.125 4.320 0.003 0.000 0.218 356 A C 2.458 180.044 177.584 0.004 0.000 1.193 356 A CA 2.037 54.075 52.037 0.001 0.000 0.629 356 A CB -1.663 17.336 19.000 -0.001 0.000 0.826 356 A HN 0.153 nan 8.150 nan 0.000 0.447 357 I N -0.380 120.193 120.570 0.005 0.000 2.264 357 I HA -0.231 3.941 4.170 0.003 0.000 0.248 357 I C 2.342 178.465 176.117 0.011 0.000 1.111 357 I CA 1.209 62.514 61.300 0.009 0.000 1.382 357 I CB -0.504 37.503 38.000 0.011 0.000 1.060 357 I HN 0.176 nan 8.210 nan 0.000 0.418 358 V N 0.580 120.499 119.914 0.009 0.000 2.237 358 V HA -0.259 3.863 4.120 0.003 0.000 0.245 358 V C 2.465 178.561 176.094 0.004 0.000 1.046 358 V CA 1.826 64.130 62.300 0.007 0.000 1.007 358 V CB -0.692 31.134 31.823 0.004 0.000 0.638 358 V HN 0.396 nan 8.190 nan 0.000 0.445 359 E N 0.176 120.377 120.200 0.003 0.000 2.219 359 E HA -0.209 4.143 4.350 0.003 0.000 0.198 359 E C 2.077 178.679 176.600 0.004 0.000 0.998 359 E CA 1.423 57.824 56.400 0.001 0.000 0.818 359 E CB -0.248 29.453 29.700 0.001 0.000 0.741 359 E HN 0.591 nan 8.360 nan 0.000 0.477 360 A N -0.134 122.690 122.820 0.007 0.000 2.238 360 A HA 0.227 4.549 4.320 0.003 0.000 0.208 360 A C 1.571 179.163 177.584 0.013 0.000 1.177 360 A CA 0.972 53.015 52.037 0.010 0.000 0.804 360 A CB -0.131 18.877 19.000 0.013 0.000 0.823 360 A HN 0.278 nan 8.150 nan 0.000 0.482 361 G N -2.086 106.720 108.800 0.010 0.000 2.132 361 G HA2 -0.151 3.811 3.960 0.003 0.000 0.234 361 G HA3 -0.151 3.811 3.960 0.003 0.000 0.234 361 G C 1.195 176.105 174.900 0.016 0.000 0.989 361 G CA 0.556 45.662 45.100 0.010 0.000 0.676 361 G HN 1.210 nan 8.290 nan 0.000 0.522 362 G N 0.074 108.886 108.800 0.020 0.000 2.440 362 G HA2 -0.129 3.833 3.960 0.003 0.000 0.218 362 G HA3 -0.129 3.833 3.960 0.003 0.000 0.218 362 G C 1.886 176.804 174.900 0.030 0.000 1.154 362 G CA 1.758 46.875 45.100 0.028 0.000 0.767 362 G HN 0.427 nan 8.290 nan 0.000 0.552 363 M N 0.231 119.843 119.600 0.020 0.000 2.073 363 M HA -0.128 4.353 4.480 0.003 0.000 0.258 363 M C 2.688 178.996 176.300 0.015 0.000 1.070 363 M CA 1.554 56.865 55.300 0.018 0.000 1.103 363 M CB -1.329 31.276 32.600 0.009 0.000 1.321 363 M HN 0.227 nan 8.290 nan 0.000 0.405 364 Q N 0.040 119.844 119.800 0.006 0.000 2.079 364 Q HA 0.009 4.350 4.340 0.003 0.000 0.200 364 Q C 2.277 178.273 176.000 -0.008 0.000 0.974 364 Q CA 2.001 57.801 55.803 -0.005 0.000 0.840 364 Q CB -0.767 27.965 28.738 -0.010 0.000 0.898 364 Q HN 0.591 nan 8.270 nan 0.000 0.430 365 A N 0.685 123.512 122.820 0.013 0.000 1.865 365 A HA -0.195 4.126 4.320 0.003 0.000 0.217 365 A C 2.104 179.723 177.584 0.058 0.000 1.191 365 A CA 1.470 53.526 52.037 0.030 0.000 0.623 365 A CB -0.967 18.070 19.000 0.062 0.000 0.826 365 A HN 0.354 nan 8.150 nan 0.000 0.444 366 L N -0.640 120.635 121.223 0.087 0.000 2.079 366 L HA -0.187 4.155 4.340 0.003 0.000 0.210 366 L C 2.827 179.752 176.870 0.091 0.000 1.081 366 L CA 1.109 56.028 54.840 0.132 0.000 0.752 366 L CB -0.885 41.228 42.059 0.090 0.000 0.896 366 L HN 0.539 nan 8.230 nan 0.000 0.433 367 G N 0.231 109.044 108.800 0.022 0.000 2.440 367 G HA2 -0.259 3.703 3.960 0.003 0.000 0.218 367 G HA3 -0.259 3.703 3.960 0.003 0.000 0.218 367 G C 1.561 176.420 174.900 -0.069 0.000 1.154 367 G CA 0.605 45.698 45.100 -0.012 0.000 0.767 367 G HN 0.296 nan 8.290 nan 0.000 0.552 368 L N 0.148 121.271 121.223 -0.166 0.000 2.369 368 L HA -0.153 4.189 4.340 0.003 0.000 0.220 368 L C 1.935 178.527 176.870 -0.463 0.000 1.119 368 L CA 0.951 55.585 54.840 -0.345 0.000 0.780 368 L CB -0.352 41.406 42.059 -0.503 0.000 0.906 368 L HN 0.370 nan 8.230 nan 0.000 0.442 369 H N -1.494 117.583 119.070 0.012 0.000 2.672 369 H HA 0.208 4.766 4.556 0.004 0.000 0.277 369 H C 1.862 177.189 175.328 -0.001 0.000 1.074 369 H CA -0.082 55.973 56.048 0.012 0.000 1.173 369 H CB 0.450 30.227 29.762 0.024 0.000 1.558 369 H HN 0.324 nan 8.280 nan 0.000 0.539 370 L N 0.474 121.731 121.223 0.057 0.000 2.549 370 L HA -0.066 4.276 4.340 0.003 0.000 0.230 370 L C 1.269 178.145 176.870 0.010 0.000 1.162 370 L CA 1.028 55.882 54.840 0.024 0.000 0.834 370 L CB -0.122 41.937 42.059 0.000 0.000 0.947 370 L HN 0.132 nan 8.230 nan 0.000 0.452 371 T N -3.132 111.433 114.554 0.018 0.000 2.985 371 T HA 0.023 4.375 4.350 0.003 0.000 0.254 371 T C 0.423 175.134 174.700 0.019 0.000 1.021 371 T CA -0.389 61.716 62.100 0.008 0.000 0.957 371 T CB 0.057 68.925 68.868 0.000 0.000 1.047 371 T HN 0.214 nan 8.240 nan 0.000 0.511 372 D N 1.947 122.376 120.400 0.048 0.000 2.478 372 D HA 0.012 4.654 4.640 0.003 0.000 0.234 372 D C -1.522 174.786 176.300 0.013 0.000 1.154 372 D CA -1.126 52.904 54.000 0.051 0.000 0.874 372 D CB 1.038 41.891 40.800 0.088 0.000 1.198 372 D HN -0.031 nan 8.370 nan 0.000 0.455 373 P HA -0.053 nan 4.420 nan 0.000 0.218 373 P C -0.123 177.156 177.300 -0.035 0.000 1.149 373 P CA 0.551 63.643 63.100 -0.014 0.000 0.817 373 P CB 0.208 31.903 31.700 -0.010 0.000 0.785 374 S N 0.586 116.261 115.700 -0.040 0.000 2.457 374 S HA -0.015 4.457 4.470 0.003 0.000 0.294 374 S C 1.360 175.913 174.600 -0.079 0.000 1.201 374 S CA -0.316 57.836 58.200 -0.080 0.000 1.112 374 S CB -0.260 62.882 63.200 -0.096 0.000 1.018 374 S HN -0.023 nan 8.310 nan 0.000 0.511 375 Q N 4.453 124.198 119.800 -0.092 0.000 2.170 375 Q HA -0.155 4.187 4.340 0.003 0.000 0.203 375 Q C 2.264 178.200 176.000 -0.106 0.000 0.976 375 Q CA 1.583 57.330 55.803 -0.093 0.000 0.858 375 Q CB -0.257 28.429 28.738 -0.088 0.000 0.907 375 Q HN 0.935 nan 8.270 nan 0.000 0.433 376 R N -0.100 120.322 120.500 -0.129 0.000 2.115 376 R HA -0.089 4.252 4.340 0.003 0.000 0.230 376 R C 2.133 178.469 176.300 0.060 0.000 1.111 376 R CA 1.058 57.104 56.100 -0.091 0.000 0.976 376 R CB -0.658 29.449 30.300 -0.322 0.000 0.870 376 R HN 0.142 nan 8.270 nan 0.000 0.445 377 L N 1.488 122.725 121.223 0.024 0.000 2.005 377 L HA -0.069 4.273 4.340 0.003 0.000 0.207 377 L C 2.201 179.101 176.870 0.050 0.000 1.072 377 L CA 1.423 56.329 54.840 0.110 0.000 0.744 377 L CB -0.443 41.633 42.059 0.027 0.000 0.895 377 L HN 0.056 nan 8.230 nan 0.000 0.433 378 V N -0.236 119.673 119.914 -0.009 0.000 2.255 378 V HA -0.337 3.785 4.120 0.003 0.000 0.247 378 V C 2.653 178.669 176.094 -0.130 0.000 1.051 378 V CA 2.007 64.282 62.300 -0.041 0.000 1.018 378 V CB -0.892 30.896 31.823 -0.058 0.000 0.641 378 V HN 0.564 nan 8.190 nan 0.000 0.445 379 Q N 0.436 120.094 119.800 -0.237 0.000 2.170 379 Q HA -0.162 4.179 4.340 0.003 0.000 0.203 379 Q C 1.993 177.643 176.000 -0.584 0.000 0.976 379 Q CA 1.861 57.323 55.803 -0.569 0.000 0.858 379 Q CB -0.515 27.769 28.738 -0.757 0.000 0.907 379 Q HN 0.701 nan 8.270 nan 0.000 0.433 380 N N -1.381 117.256 118.700 -0.106 0.000 2.270 380 N HA -0.103 4.639 4.740 0.003 0.000 0.181 380 N C 1.483 177.089 175.510 0.161 0.000 1.016 380 N CA 1.129 54.316 53.050 0.227 0.000 0.870 380 N CB 0.013 38.665 38.487 0.275 0.000 0.979 380 N HN 0.329 nan 8.380 nan 0.000 0.431 381 C N 0.898 120.237 119.300 0.065 0.000 2.446 381 C HA 0.027 4.489 4.460 0.003 0.000 0.277 381 C C 2.775 177.799 174.990 0.056 0.000 1.275 381 C CA 0.096 59.158 59.018 0.073 0.000 1.727 381 C CB -1.120 26.667 27.740 0.078 0.000 2.010 381 C HN 0.424 nan 8.230 nan 0.000 0.486 382 L N -0.445 120.760 121.223 -0.030 0.000 2.012 382 L HA -0.192 4.150 4.340 0.003 0.000 0.210 382 L C 2.800 179.709 176.870 0.065 0.000 1.073 382 L CA 1.686 56.497 54.840 -0.048 0.000 0.748 382 L CB -0.567 41.381 42.059 -0.184 0.000 0.891 382 L HN 0.513 nan 8.230 nan 0.000 0.431 383 W N 0.353 121.673 121.300 0.034 0.000 2.354 383 W HA -0.156 4.505 4.660 0.001 0.000 0.315 383 W C 2.734 179.267 176.519 0.023 0.000 1.206 383 W CA 1.626 58.988 57.345 0.029 0.000 1.290 383 W CB -1.489 27.990 29.460 0.031 0.000 1.152 383 W HN 0.173 nan 8.180 nan 0.000 0.489 384 T N 1.445 116.164 114.554 0.276 0.000 2.720 384 T HA -0.193 4.159 4.350 0.003 0.000 0.268 384 T C 2.128 176.895 174.700 0.111 0.000 1.037 384 T CA 1.483 63.675 62.100 0.154 0.000 1.144 384 T CB -0.728 68.210 68.868 0.116 0.000 0.864 384 T HN 0.019 nan 8.240 nan 0.000 0.444 385 L N 0.297 121.581 121.223 0.102 0.000 2.042 385 L HA -0.112 4.230 4.340 0.003 0.000 0.210 385 L C 2.913 179.827 176.870 0.073 0.000 1.076 385 L CA 1.384 56.267 54.840 0.071 0.000 0.749 385 L CB -0.387 41.705 42.059 0.055 0.000 0.893 385 L HN 0.173 nan 8.230 nan 0.000 0.432 386 R N -0.055 120.504 120.500 0.099 0.000 2.092 386 R HA -0.132 4.210 4.340 0.003 0.000 0.231 386 R C 2.042 178.390 176.300 0.080 0.000 1.119 386 R CA 1.386 57.542 56.100 0.094 0.000 0.970 386 R CB -0.004 30.373 30.300 0.129 0.000 0.864 386 R HN 0.387 nan 8.270 nan 0.000 0.440 387 N N 0.656 119.407 118.700 0.085 0.000 2.188 387 N HA -0.132 4.610 4.740 0.003 0.000 0.184 387 N C 1.713 177.248 175.510 0.041 0.000 1.018 387 N CA 1.063 54.147 53.050 0.056 0.000 0.858 387 N CB -0.141 38.375 38.487 0.047 0.000 0.989 387 N HN 0.265 nan 8.380 nan 0.000 0.426 388 L N 0.879 122.128 121.223 0.044 0.000 2.240 388 L HA -0.053 4.288 4.340 0.003 0.000 0.211 388 L C 2.300 179.186 176.870 0.027 0.000 1.106 388 L CA 0.646 55.505 54.840 0.031 0.000 0.793 388 L CB -0.612 41.466 42.059 0.032 0.000 0.927 388 L HN 0.184 nan 8.230 nan 0.000 0.446 389 S N 0.666 116.387 115.700 0.034 0.000 2.399 389 S HA -0.317 4.155 4.470 0.003 0.000 0.235 389 S C 1.644 176.258 174.600 0.023 0.000 1.063 389 S CA 1.837 60.055 58.200 0.030 0.000 1.070 389 S CB -0.866 62.358 63.200 0.040 0.000 0.904 389 S HN 0.681 nan 8.310 nan 0.000 0.456 390 D N 2.298 122.713 120.400 0.025 0.000 2.219 390 D HA -0.004 4.638 4.640 0.003 0.000 0.205 390 D C 1.748 178.054 176.300 0.010 0.000 0.970 390 D CA 1.175 55.187 54.000 0.020 0.000 0.851 390 D CB -0.434 40.380 40.800 0.023 0.000 0.943 390 D HN 0.670 nan 8.370 nan 0.000 0.488 391 A N 0.167 122.992 122.820 0.009 0.000 2.275 391 A HA 0.514 4.836 4.320 0.003 0.000 0.212 391 A C 1.795 179.379 177.584 -0.000 0.000 1.201 391 A CA 0.449 52.488 52.037 0.004 0.000 0.843 391 A CB 0.068 19.071 19.000 0.005 0.000 0.873 391 A HN 0.307 nan 8.150 nan 0.000 0.492 392 A N -0.241 122.579 122.820 -0.000 0.000 2.630 392 A HA 0.355 4.676 4.320 0.003 0.000 0.290 392 A C 1.543 179.117 177.584 -0.017 0.000 1.267 392 A CA 0.720 52.753 52.037 -0.006 0.000 0.950 392 A CB -0.860 18.140 19.000 -0.001 0.000 1.144 392 A HN 0.419 nan 8.150 nan 0.000 0.527 393 T N -2.146 112.396 114.554 -0.020 0.000 3.023 393 T HA -0.002 4.350 4.350 0.003 0.000 0.266 393 T C 1.300 175.972 174.700 -0.047 0.000 1.093 393 T CA 1.173 63.252 62.100 -0.034 0.000 1.129 393 T CB -0.199 68.648 68.868 -0.035 0.000 0.899 393 T HN 0.456 nan 8.240 nan 0.000 0.491 394 K N 0.454 120.831 120.400 -0.038 0.000 2.372 394 K HA 0.222 4.543 4.320 0.003 0.000 0.200 394 K C 0.472 177.044 176.600 -0.046 0.000 1.022 394 K CA -0.274 55.986 56.287 -0.045 0.000 1.125 394 K CB 0.340 32.821 32.500 -0.032 0.000 0.855 394 K HN 0.217 nan 8.250 nan 0.000 0.524 395 Q N 1.835 121.611 119.800 -0.041 0.000 2.337 395 Q HA 0.059 4.400 4.340 0.003 0.000 0.270 395 Q C 0.061 176.031 176.000 -0.049 0.000 1.002 395 Q CA 0.812 56.593 55.803 -0.036 0.000 0.888 395 Q CB 0.870 29.593 28.738 -0.026 0.000 1.222 395 Q HN 0.176 nan 8.270 nan 0.000 0.400 396 E N -0.235 119.939 120.200 -0.044 0.000 2.254 396 E HA 0.422 4.774 4.350 0.003 0.000 0.258 396 E C -0.079 176.497 176.600 -0.039 0.000 1.033 396 E CA -0.592 55.777 56.400 -0.050 0.000 0.893 396 E CB 0.913 30.586 29.700 -0.045 0.000 1.204 396 E HN 0.775 nan 8.360 nan 0.000 0.425 397 G N 1.611 110.388 108.800 -0.038 0.000 2.363 397 G HA2 -0.213 3.749 3.960 0.003 0.000 0.286 397 G HA3 -0.213 3.749 3.960 0.003 0.000 0.286 397 G C 0.387 175.271 174.900 -0.028 0.000 0.975 397 G CA 0.346 45.428 45.100 -0.029 0.000 1.309 397 G HN 0.228 nan 8.290 nan 0.000 0.491 398 M N -0.669 118.912 119.600 -0.032 0.000 2.300 398 M HA 0.159 4.641 4.480 0.003 0.000 0.313 398 M C 1.826 178.111 176.300 -0.024 0.000 0.988 398 M CA 0.264 55.548 55.300 -0.027 0.000 1.012 398 M CB 0.144 32.725 32.600 -0.032 0.000 1.586 398 M HN 0.348 nan 8.290 nan 0.000 0.562 399 E N 1.538 121.724 120.200 -0.024 0.000 2.055 399 E HA -0.184 4.168 4.350 0.003 0.000 0.209 399 E C 2.070 178.660 176.600 -0.016 0.000 1.036 399 E CA 2.283 58.671 56.400 -0.019 0.000 0.849 399 E CB -1.062 28.629 29.700 -0.015 0.000 0.767 399 E HN 0.557 nan 8.360 nan 0.000 0.461 400 G N 0.851 109.641 108.800 -0.018 0.000 2.553 400 G HA2 -0.314 3.648 3.960 0.003 0.000 0.218 400 G HA3 -0.314 3.648 3.960 0.003 0.000 0.218 400 G C 1.528 176.417 174.900 -0.018 0.000 1.195 400 G CA 1.240 46.329 45.100 -0.019 0.000 0.779 400 G HN 0.207 nan 8.290 nan 0.000 0.577 401 L N 0.678 121.890 121.223 -0.018 0.000 1.956 401 L HA -0.050 4.292 4.340 0.003 0.000 0.216 401 L C 2.848 179.711 176.870 -0.012 0.000 1.073 401 L CA 1.684 56.515 54.840 -0.015 0.000 0.762 401 L CB -0.770 41.282 42.059 -0.012 0.000 0.889 401 L HN 0.271 nan 8.230 nan 0.000 0.433 402 L N -0.645 120.571 121.223 -0.013 0.000 2.089 402 L HA -0.227 4.115 4.340 0.003 0.000 0.213 402 L C 2.438 179.302 176.870 -0.010 0.000 1.079 402 L CA 1.382 56.215 54.840 -0.011 0.000 0.758 402 L CB -1.360 40.690 42.059 -0.016 0.000 0.891 402 L HN 0.557 nan 8.230 nan 0.000 0.433 403 G N -0.994 107.800 108.800 -0.011 0.000 2.414 403 G HA2 -0.219 3.743 3.960 0.003 0.000 0.215 403 G HA3 -0.219 3.743 3.960 0.003 0.000 0.215 403 G C 1.537 176.430 174.900 -0.011 0.000 1.188 403 G CA 1.130 46.224 45.100 -0.010 0.000 0.783 403 G HN 0.290 nan 8.290 nan 0.000 0.537 404 T N 1.744 116.290 114.554 -0.013 0.000 2.684 404 T HA -0.093 4.259 4.350 0.003 0.000 0.267 404 T C 2.434 177.126 174.700 -0.013 0.000 1.036 404 T CA 1.110 63.202 62.100 -0.014 0.000 1.148 404 T CB -0.318 68.540 68.868 -0.016 0.000 0.863 404 T HN 0.133 nan 8.240 nan 0.000 0.436 405 L N 0.676 121.892 121.223 -0.011 0.000 1.990 405 L HA -0.161 4.181 4.340 0.003 0.000 0.213 405 L C 2.727 179.591 176.870 -0.010 0.000 1.072 405 L CA 1.207 56.041 54.840 -0.009 0.000 0.755 405 L CB -0.939 41.118 42.059 -0.004 0.000 0.889 405 L HN 0.150 nan 8.230 nan 0.000 0.432 406 V N -0.456 119.452 119.914 -0.010 0.000 2.282 406 V HA -0.361 3.760 4.120 0.003 0.000 0.249 406 V C 2.521 178.605 176.094 -0.015 0.000 1.057 406 V CA 1.934 64.227 62.300 -0.012 0.000 1.032 406 V CB -0.592 31.224 31.823 -0.011 0.000 0.645 406 V HN 0.516 nan 8.190 nan 0.000 0.447 407 Q N -0.564 119.227 119.800 -0.015 0.000 2.002 407 Q HA -0.221 4.121 4.340 0.003 0.000 0.204 407 Q C 2.306 178.295 176.000 -0.018 0.000 0.988 407 Q CA 1.837 57.630 55.803 -0.016 0.000 0.843 407 Q CB -0.374 28.355 28.738 -0.015 0.000 0.908 407 Q HN 0.532 nan 8.270 nan 0.000 0.420 408 L N 0.722 121.933 121.223 -0.019 0.000 2.263 408 L HA -0.228 4.114 4.340 0.003 0.000 0.216 408 L C 2.178 179.034 176.870 -0.022 0.000 1.111 408 L CA 0.664 55.490 54.840 -0.023 0.000 0.773 408 L CB -0.421 41.622 42.059 -0.027 0.000 0.906 408 L HN 0.308 nan 8.230 nan 0.000 0.439 409 L N -0.449 120.763 121.223 -0.018 0.000 2.349 409 L HA -0.142 4.200 4.340 0.003 0.000 0.220 409 L C 2.050 178.910 176.870 -0.018 0.000 1.130 409 L CA 0.947 55.778 54.840 -0.017 0.000 0.791 409 L CB -0.626 41.424 42.059 -0.016 0.000 0.918 409 L HN 0.332 nan 8.230 nan 0.000 0.444 410 G N -1.470 107.318 108.800 -0.019 0.000 3.371 410 G HA2 0.009 3.971 3.960 0.003 0.000 0.248 410 G HA3 0.009 3.971 3.960 0.003 0.000 0.248 410 G C 0.602 175.491 174.900 -0.019 0.000 1.161 410 G CA -0.094 44.994 45.100 -0.019 0.000 0.796 410 G HN 0.184 nan 8.290 nan 0.000 0.539 411 S N -0.466 115.221 115.700 -0.021 0.000 2.596 411 S HA 0.123 4.595 4.470 0.003 0.000 0.260 411 S C 1.015 175.603 174.600 -0.020 0.000 1.336 411 S CA -0.262 57.924 58.200 -0.023 0.000 0.993 411 S CB 0.834 64.016 63.200 -0.031 0.000 0.923 411 S HN 0.276 nan 8.310 nan 0.000 0.567 412 D N 0.009 120.397 120.400 -0.020 0.000 2.338 412 D HA 0.046 4.688 4.640 0.003 0.000 0.208 412 D C -0.155 176.136 176.300 -0.016 0.000 0.997 412 D CA 0.176 54.166 54.000 -0.016 0.000 0.880 412 D CB -0.111 40.679 40.800 -0.016 0.000 0.980 412 D HN 0.522 nan 8.370 nan 0.000 0.509 413 D N 1.243 121.629 120.400 -0.024 0.000 2.358 413 D HA 0.038 4.679 4.640 0.003 0.000 0.258 413 D C 1.553 177.840 176.300 -0.021 0.000 1.223 413 D CA -0.133 53.851 54.000 -0.026 0.000 0.886 413 D CB 0.931 41.704 40.800 -0.045 0.000 1.120 413 D HN 0.037 nan 8.370 nan 0.000 0.482 414 I N 3.235 123.801 120.570 -0.007 0.000 2.226 414 I HA -0.287 3.885 4.170 0.003 0.000 0.245 414 I C 1.948 178.070 176.117 0.008 0.000 1.100 414 I CA 0.793 62.096 61.300 0.004 0.000 1.374 414 I CB -0.321 37.689 38.000 0.016 0.000 1.057 414 I HN 0.445 nan 8.210 nan 0.000 0.413 415 N N 0.558 119.262 118.700 0.007 0.000 2.120 415 N HA -0.147 4.595 4.740 0.003 0.000 0.188 415 N C 1.929 177.407 175.510 -0.053 0.000 1.024 415 N CA 1.144 54.200 53.050 0.010 0.000 0.852 415 N CB -0.060 38.430 38.487 0.006 0.000 1.003 415 N HN 0.105 nan 8.380 nan 0.000 0.424 416 V N 0.908 120.772 119.914 -0.083 0.000 2.237 416 V HA -0.196 3.926 4.120 0.003 0.000 0.245 416 V C 2.335 178.398 176.094 -0.051 0.000 1.046 416 V CA 1.359 63.601 62.300 -0.097 0.000 1.007 416 V CB -0.598 31.173 31.823 -0.088 0.000 0.638 416 V HN 0.129 nan 8.190 nan 0.000 0.445 417 V N 0.036 119.932 119.914 -0.030 0.000 2.252 417 V HA -0.343 3.779 4.120 0.003 0.000 0.249 417 V C 2.624 178.717 176.094 -0.002 0.000 1.056 417 V CA 2.870 65.161 62.300 -0.015 0.000 1.022 417 V CB -0.963 30.854 31.823 -0.010 0.000 0.641 417 V HN 0.682 nan 8.190 nan 0.000 0.445 418 T N -1.053 113.507 114.554 0.009 0.000 2.597 418 T HA -0.310 4.042 4.350 0.003 0.000 0.267 418 T C 1.910 176.631 174.700 0.036 0.000 1.053 418 T CA 2.122 64.239 62.100 0.029 0.000 1.165 418 T CB -0.699 68.200 68.868 0.052 0.000 0.863 418 T HN 0.575 nan 8.240 nan 0.000 0.427 419 C N 1.562 120.883 119.300 0.035 0.000 2.401 419 C HA -0.042 4.420 4.460 0.003 0.000 0.276 419 C C 3.240 178.245 174.990 0.024 0.000 1.233 419 C CA 0.433 59.477 59.018 0.043 0.000 1.753 419 C CB -1.585 26.155 27.740 -0.000 0.000 2.029 419 C HN 0.693 nan 8.230 nan 0.000 0.478 420 A N 0.467 123.288 122.820 0.002 0.000 1.883 420 A HA 0.004 4.326 4.320 0.003 0.000 0.217 420 A C 2.385 179.976 177.584 0.011 0.000 1.186 420 A CA 2.319 54.357 52.037 0.001 0.000 0.624 420 A CB -1.010 17.983 19.000 -0.011 0.000 0.822 420 A HN 0.608 nan 8.150 nan 0.000 0.444 421 A N -0.589 122.238 122.820 0.012 0.000 1.902 421 A HA 0.121 4.443 4.320 0.003 0.000 0.217 421 A C 2.426 180.024 177.584 0.024 0.000 1.181 421 A CA 1.998 54.044 52.037 0.013 0.000 0.623 421 A CB -1.412 17.595 19.000 0.011 0.000 0.818 421 A HN 0.742 nan 8.150 nan 0.000 0.443 422 G N 0.120 108.940 108.800 0.034 0.000 2.421 422 G HA2 -0.195 3.767 3.960 0.003 0.000 0.216 422 G HA3 -0.195 3.767 3.960 0.003 0.000 0.216 422 G C 1.539 176.469 174.900 0.049 0.000 1.171 422 G CA 1.142 46.270 45.100 0.046 0.000 0.775 422 G HN 0.473 nan 8.290 nan 0.000 0.543 423 I N 0.435 121.031 120.570 0.045 0.000 2.127 423 I HA -0.186 3.986 4.170 0.003 0.000 0.241 423 I C 2.779 178.920 176.117 0.040 0.000 1.075 423 I CA 0.856 62.181 61.300 0.042 0.000 1.334 423 I CB -0.328 37.691 38.000 0.033 0.000 1.040 423 I HN 0.114 nan 8.210 nan 0.000 0.405 424 L N 0.034 121.277 121.223 0.033 0.000 2.079 424 L HA -0.271 4.071 4.340 0.003 0.000 0.210 424 L C 2.784 179.692 176.870 0.063 0.000 1.081 424 L CA 1.551 56.412 54.840 0.035 0.000 0.752 424 L CB -0.610 41.463 42.059 0.022 0.000 0.896 424 L HN 0.332 nan 8.230 nan 0.000 0.433 425 S N 0.359 116.097 115.700 0.063 0.000 2.365 425 S HA -0.229 4.243 4.470 0.003 0.000 0.221 425 S C 1.897 176.607 174.600 0.183 0.000 1.037 425 S CA 1.933 60.192 58.200 0.098 0.000 1.060 425 S CB -0.241 62.992 63.200 0.056 0.000 0.974 425 S HN 0.444 nan 8.310 nan 0.000 0.427 426 N N 1.539 120.309 118.700 0.118 0.000 2.069 426 N HA -0.023 4.718 4.740 0.003 0.000 0.191 426 N C 1.864 177.405 175.510 0.052 0.000 1.031 426 N CA 1.392 54.497 53.050 0.091 0.000 0.852 426 N CB -0.792 37.731 38.487 0.060 0.000 1.018 426 N HN 0.434 nan 8.380 nan 0.000 0.423 427 L N 0.832 122.080 121.223 0.042 0.000 2.261 427 L HA -0.111 4.231 4.340 0.003 0.000 0.216 427 L C 1.461 178.330 176.870 -0.002 0.000 1.114 427 L CA 1.229 56.076 54.840 0.011 0.000 0.777 427 L CB -0.715 41.349 42.059 0.008 0.000 0.910 427 L HN 0.311 nan 8.230 nan 0.000 0.440 428 T N -4.611 109.969 114.554 0.042 0.000 3.244 428 T HA 0.072 4.424 4.350 0.003 0.000 0.254 428 T C 0.305 174.952 174.700 -0.088 0.000 1.024 428 T CA -0.496 61.620 62.100 0.027 0.000 0.920 428 T CB -0.622 68.316 68.868 0.116 0.000 1.042 428 T HN 0.240 nan 8.240 nan 0.000 0.572 429 C N 2.654 121.853 119.300 -0.169 0.000 2.225 429 C HA 0.565 5.027 4.460 0.003 0.000 0.328 429 C C 1.214 176.079 174.990 -0.208 0.000 1.187 429 C CA -0.447 58.342 59.018 -0.380 0.000 1.665 429 C CB -1.905 25.681 27.740 -0.257 0.000 2.253 429 C HN 0.834 nan 8.230 nan 0.000 0.497 430 N N 3.111 121.695 118.700 -0.194 0.000 2.753 430 N HA -0.214 4.528 4.740 0.003 0.000 0.251 430 N C -0.631 174.855 175.510 -0.040 0.000 1.097 430 N CA 1.261 54.265 53.050 -0.077 0.000 0.786 430 N CB -1.222 37.230 38.487 -0.058 0.000 1.137 430 N HN 0.890 nan 8.380 nan 0.000 0.566 431 N N 0.514 119.173 118.700 -0.069 0.000 2.626 431 N HA 0.095 4.837 4.740 0.003 0.000 0.242 431 N C 1.006 176.456 175.510 -0.101 0.000 1.005 431 N CA -0.408 52.581 53.050 -0.102 0.000 0.905 431 N CB 0.176 38.591 38.487 -0.120 0.000 1.128 431 N HN 0.323 nan 8.380 nan 0.000 0.512 432 Y N 3.661 123.928 120.300 -0.055 0.000 2.224 432 Y HA 0.037 4.589 4.550 0.003 0.000 0.289 432 Y C 1.510 177.361 175.900 -0.081 0.000 1.146 432 Y CA 1.225 59.286 58.100 -0.064 0.000 1.182 432 Y CB -0.165 38.307 38.460 0.020 0.000 0.983 432 Y HN 0.276 nan 8.280 nan 0.000 0.524 433 K N 0.379 120.452 120.400 -0.544 0.000 2.097 433 K HA -0.152 4.170 4.320 0.003 0.000 0.206 433 K C 1.745 178.257 176.600 -0.147 0.000 1.049 433 K CA 1.493 57.601 56.287 -0.298 0.000 0.933 433 K CB -0.232 32.029 32.500 -0.398 0.000 0.717 433 K HN 0.302 nan 8.250 nan 0.000 0.442 434 N N 1.149 119.752 118.700 -0.163 0.000 2.084 434 N HA -0.120 4.622 4.740 0.003 0.000 0.190 434 N C 1.405 176.849 175.510 -0.110 0.000 1.030 434 N CA 1.256 54.240 53.050 -0.109 0.000 0.849 434 N CB -0.061 38.369 38.487 -0.095 0.000 1.012 434 N HN 0.149 nan 8.380 nan 0.000 0.423 435 K N 0.477 120.770 120.400 -0.179 0.000 2.001 435 K HA -0.096 4.225 4.320 0.003 0.000 0.214 435 K C 2.129 178.570 176.600 -0.265 0.000 1.050 435 K CA 1.429 57.525 56.287 -0.318 0.000 0.934 435 K CB -0.240 31.825 32.500 -0.726 0.000 0.718 435 K HN 0.179 nan 8.250 nan 0.000 0.443 436 M N 0.015 119.496 119.600 -0.199 0.000 2.082 436 M HA -0.235 4.247 4.480 0.003 0.000 0.258 436 M C 2.342 178.663 176.300 0.034 0.000 1.069 436 M CA 1.482 56.804 55.300 0.038 0.000 1.102 436 M CB -0.385 32.299 32.600 0.140 0.000 1.336 436 M HN 0.184 nan 8.290 nan 0.000 0.404 437 M N -0.123 119.476 119.600 -0.002 0.000 2.086 437 M HA -0.122 4.360 4.480 0.003 0.000 0.261 437 M C 2.299 178.602 176.300 0.005 0.000 1.067 437 M CA 1.419 56.720 55.300 0.002 0.000 1.116 437 M CB -1.207 31.384 32.600 -0.016 0.000 1.348 437 M HN 0.133 nan 8.290 nan 0.000 0.407 438 V N -0.326 119.582 119.914 -0.009 0.000 2.287 438 V HA -0.335 3.787 4.120 0.003 0.000 0.248 438 V C 2.585 178.692 176.094 0.023 0.000 1.053 438 V CA 1.793 64.094 62.300 0.002 0.000 1.027 438 V CB -0.975 30.846 31.823 -0.004 0.000 0.646 438 V HN 0.494 nan 8.190 nan 0.000 0.447 439 C N -0.589 118.737 119.300 0.045 0.000 2.403 439 C HA -0.176 4.285 4.460 0.003 0.000 0.277 439 C C 2.684 177.713 174.990 0.065 0.000 1.248 439 C CA 0.724 59.789 59.018 0.078 0.000 1.762 439 C CB -1.116 26.710 27.740 0.143 0.000 2.014 439 C HN 0.564 nan 8.230 nan 0.000 0.486 440 Q N 0.333 120.166 119.800 0.056 0.000 2.472 440 Q HA 0.017 4.359 4.340 0.003 0.000 0.208 440 Q C 1.607 177.626 176.000 0.032 0.000 0.958 440 Q CA 0.846 56.676 55.803 0.047 0.000 0.932 440 Q CB -0.086 28.679 28.738 0.045 0.000 1.007 440 Q HN 0.773 nan 8.270 nan 0.000 0.508 441 V N -4.421 115.507 119.914 0.024 0.000 3.043 441 V HA 0.557 4.679 4.120 0.003 0.000 0.357 441 V C 0.904 177.002 176.094 0.008 0.000 1.372 441 V CA 0.149 62.457 62.300 0.014 0.000 1.214 441 V CB 0.046 31.873 31.823 0.006 0.000 1.224 441 V HN 0.205 nan 8.190 nan 0.000 0.507 442 G N 0.188 108.996 108.800 0.013 0.000 2.137 442 G HA2 -0.209 3.753 3.960 0.003 0.000 0.237 442 G HA3 -0.209 3.753 3.960 0.003 0.000 0.237 442 G C 0.926 175.809 174.900 -0.028 0.000 1.002 442 G CA 0.354 45.450 45.100 -0.007 0.000 0.702 442 G HN 1.110 nan 8.290 nan 0.000 0.515 443 G N 0.482 109.278 108.800 -0.007 0.000 2.421 443 G HA2 -0.044 3.918 3.960 0.003 0.000 0.216 443 G HA3 -0.044 3.918 3.960 0.003 0.000 0.216 443 G C 1.756 176.644 174.900 -0.020 0.000 1.171 443 G CA 1.428 46.522 45.100 -0.009 0.000 0.775 443 G HN 0.458 nan 8.290 nan 0.000 0.543 444 I N 1.436 122.004 120.570 -0.004 0.000 2.118 444 I HA -0.196 3.976 4.170 0.003 0.000 0.241 444 I C 2.540 178.606 176.117 -0.085 0.000 1.070 444 I CA 1.764 63.063 61.300 -0.000 0.000 1.327 444 I CB -1.351 36.686 38.000 0.063 0.000 1.034 444 I HN 0.433 nan 8.210 nan 0.000 0.405 445 E N 1.117 121.173 120.200 -0.240 0.000 2.058 445 E HA -0.233 4.119 4.350 0.003 0.000 0.194 445 E C 2.281 178.757 176.600 -0.206 0.000 0.997 445 E CA 1.719 57.835 56.400 -0.473 0.000 0.801 445 E CB -0.021 29.227 29.700 -0.753 0.000 0.746 445 E HN 0.423 nan 8.360 nan 0.000 0.450 446 A N 1.197 123.940 122.820 -0.129 0.000 1.865 446 A HA -0.182 4.140 4.320 0.003 0.000 0.217 446 A C 2.289 179.845 177.584 -0.047 0.000 1.191 446 A CA 1.580 53.575 52.037 -0.071 0.000 0.623 446 A CB -0.879 18.093 19.000 -0.047 0.000 0.826 446 A HN 0.355 nan 8.150 nan 0.000 0.444 447 L N -0.626 120.575 121.223 -0.036 0.000 2.042 447 L HA -0.193 4.149 4.340 0.003 0.000 0.210 447 L C 2.585 179.448 176.870 -0.011 0.000 1.076 447 L CA 1.247 56.077 54.840 -0.017 0.000 0.749 447 L CB -0.626 41.429 42.059 -0.008 0.000 0.893 447 L HN 0.266 nan 8.230 nan 0.000 0.432 448 V N -0.172 119.733 119.914 -0.014 0.000 2.255 448 V HA -0.316 3.806 4.120 0.003 0.000 0.247 448 V C 2.644 178.743 176.094 0.008 0.000 1.051 448 V CA 1.860 64.167 62.300 0.011 0.000 1.018 448 V CB -0.599 31.245 31.823 0.035 0.000 0.641 448 V HN 0.417 nan 8.190 nan 0.000 0.445 449 R N -0.436 120.056 120.500 -0.013 0.000 2.117 449 R HA -0.171 4.171 4.340 0.003 0.000 0.243 449 R C 2.346 178.643 176.300 -0.005 0.000 1.143 449 R CA 2.003 58.098 56.100 -0.009 0.000 0.968 449 R CB -0.807 29.478 30.300 -0.026 0.000 0.863 449 R HN 0.550 nan 8.270 nan 0.000 0.444 450 T N 0.791 115.340 114.554 -0.009 0.000 2.674 450 T HA -0.111 4.240 4.350 0.003 0.000 0.265 450 T C 2.037 176.738 174.700 0.003 0.000 1.039 450 T CA 1.499 63.596 62.100 -0.005 0.000 1.150 450 T CB -0.281 68.583 68.868 -0.006 0.000 0.864 450 T HN 0.002 nan 8.240 nan 0.000 0.427 451 V N 1.377 121.295 119.914 0.006 0.000 2.380 451 V HA -0.156 3.965 4.120 0.003 0.000 0.251 451 V C 2.402 178.506 176.094 0.017 0.000 1.063 451 V CA 1.359 63.666 62.300 0.012 0.000 1.055 451 V CB -0.726 31.106 31.823 0.016 0.000 0.657 451 V HN 0.279 nan 8.190 nan 0.000 0.455 452 L N 0.127 121.361 121.223 0.018 0.000 1.976 452 L HA -0.146 4.196 4.340 0.003 0.000 0.209 452 L C 2.671 179.548 176.870 0.012 0.000 1.071 452 L CA 2.258 57.109 54.840 0.020 0.000 0.746 452 L CB -0.652 41.419 42.059 0.020 0.000 0.890 452 L HN 0.211 nan 8.230 nan 0.000 0.432 453 R N -0.730 119.774 120.500 0.006 0.000 2.152 453 R HA -0.128 4.214 4.340 0.003 0.000 0.232 453 R C 1.957 178.260 176.300 0.006 0.000 1.117 453 R CA 1.160 57.262 56.100 0.003 0.000 0.981 453 R CB -0.261 30.038 30.300 -0.002 0.000 0.870 453 R HN 0.466 nan 8.270 nan 0.000 0.451 454 A N 0.440 123.264 122.820 0.008 0.000 2.066 454 A HA 0.136 4.458 4.320 0.003 0.000 0.218 454 A C 1.465 179.057 177.584 0.013 0.000 1.157 454 A CA 1.118 53.161 52.037 0.010 0.000 0.670 454 A CB -0.714 18.292 19.000 0.010 0.000 0.804 454 A HN 0.644 nan 8.150 nan 0.000 0.453 455 G N 0.981 109.790 108.800 0.014 0.000 2.651 455 G HA2 -0.478 3.483 3.960 0.003 0.000 0.315 455 G HA3 -0.478 3.483 3.960 0.003 0.000 0.315 455 G C 0.750 175.663 174.900 0.020 0.000 1.258 455 G CA 0.878 45.988 45.100 0.017 0.000 1.002 455 G HN 0.836 nan 8.290 nan 0.000 0.551 456 D N 1.168 121.581 120.400 0.021 0.000 2.348 456 D HA -0.055 4.587 4.640 0.003 0.000 0.216 456 D C 1.398 177.713 176.300 0.026 0.000 0.970 456 D CA 0.567 54.584 54.000 0.027 0.000 0.889 456 D CB -0.211 40.606 40.800 0.028 0.000 0.912 456 D HN 0.529 nan 8.370 nan 0.000 0.524 457 R N 1.377 121.888 120.500 0.018 0.000 2.540 457 R HA 0.062 4.403 4.340 0.003 0.000 0.317 457 R C 0.838 177.145 176.300 0.011 0.000 1.233 457 R CA 0.064 56.172 56.100 0.013 0.000 1.003 457 R CB 0.014 30.322 30.300 0.013 0.000 1.034 457 R HN 0.263 nan 8.270 nan 0.000 0.483 458 E N 1.213 121.416 120.200 0.005 0.000 2.409 458 E HA -0.166 4.186 4.350 0.003 0.000 0.198 458 E C 0.448 177.047 176.600 -0.001 0.000 1.024 458 E CA 0.589 56.990 56.400 0.002 0.000 0.861 458 E CB 0.233 29.926 29.700 -0.012 0.000 0.788 458 E HN 0.570 nan 8.360 nan 0.000 0.521 459 D N 0.362 120.762 120.400 0.000 0.000 2.269 459 D HA -0.083 4.559 4.640 0.003 0.000 0.208 459 D C 1.812 178.123 176.300 0.018 0.000 0.963 459 D CA 0.851 54.857 54.000 0.010 0.000 0.864 459 D CB 0.271 41.081 40.800 0.017 0.000 0.936 459 D HN 0.298 nan 8.370 nan 0.000 0.505 460 I N 0.837 121.416 120.570 0.015 0.000 3.039 460 I HA -0.139 4.033 4.170 0.003 0.000 0.270 460 I C 2.639 178.762 176.117 0.010 0.000 1.150 460 I CA 0.770 62.078 61.300 0.014 0.000 1.448 460 I CB -0.089 37.918 38.000 0.012 0.000 1.197 460 I HN -0.038 nan 8.210 nan 0.000 0.450 461 T N -1.425 113.135 114.554 0.010 0.000 2.821 461 T HA -0.200 4.152 4.350 0.003 0.000 0.267 461 T C 1.642 176.345 174.700 0.005 0.000 1.046 461 T CA 1.406 63.511 62.100 0.009 0.000 1.139 461 T CB -0.321 68.555 68.868 0.014 0.000 0.871 461 T HN 0.393 nan 8.240 nan 0.000 0.454 462 E N 2.484 122.689 120.200 0.009 0.000 2.031 462 E HA -0.085 4.267 4.350 0.003 0.000 0.193 462 E C -0.223 176.372 176.600 -0.008 0.000 0.994 462 E CA 1.129 57.533 56.400 0.007 0.000 0.800 462 E CB -0.681 29.030 29.700 0.019 0.000 0.752 462 E HN 0.439 nan 8.360 nan 0.000 0.447 463 P HA -0.157 nan 4.420 nan 0.000 0.216 463 P C 1.226 178.508 177.300 -0.030 0.000 1.153 463 P CA 1.952 65.047 63.100 -0.009 0.000 0.848 463 P CB -0.087 31.621 31.700 0.014 0.000 0.787 464 A N 0.636 123.446 122.820 -0.017 0.000 1.865 464 A HA -0.181 4.140 4.320 0.003 0.000 0.217 464 A C 2.370 179.933 177.584 -0.036 0.000 1.191 464 A CA 1.735 53.761 52.037 -0.019 0.000 0.623 464 A CB -1.509 17.487 19.000 -0.007 0.000 0.826 464 A HN 0.041 nan 8.150 nan 0.000 0.444 465 I N -0.117 120.434 120.570 -0.033 0.000 2.179 465 I HA -0.265 3.907 4.170 0.003 0.000 0.242 465 I C 2.712 178.773 176.117 -0.093 0.000 1.088 465 I CA 1.129 62.405 61.300 -0.039 0.000 1.357 465 I CB -1.611 36.378 38.000 -0.019 0.000 1.051 465 I HN 0.400 nan 8.210 nan 0.000 0.409 466 C N 0.829 120.046 119.300 -0.140 0.000 2.401 466 C HA -0.195 4.267 4.460 0.003 0.000 0.276 466 C C 3.140 177.807 174.990 -0.538 0.000 1.233 466 C CA 0.976 59.801 59.018 -0.321 0.000 1.753 466 C CB -1.309 26.259 27.740 -0.286 0.000 2.029 466 C HN 0.618 nan 8.230 nan 0.000 0.478 467 A N 0.465 123.110 122.820 -0.292 0.000 1.873 467 A HA -0.189 4.133 4.320 0.003 0.000 0.218 467 A C 2.102 179.639 177.584 -0.078 0.000 1.193 467 A CA 1.838 53.786 52.037 -0.150 0.000 0.629 467 A CB -0.817 18.162 19.000 -0.035 0.000 0.826 467 A HN 0.623 nan 8.150 nan 0.000 0.447 468 L N -1.123 120.067 121.223 -0.054 0.000 2.127 468 L HA -0.224 4.117 4.340 0.003 0.000 0.211 468 L C 2.822 179.701 176.870 0.014 0.000 1.089 468 L CA 1.813 56.653 54.840 -0.000 0.000 0.757 468 L CB -0.501 41.560 42.059 0.003 0.000 0.899 468 L HN 0.530 nan 8.230 nan 0.000 0.434 469 R N -0.415 120.059 120.500 -0.042 0.000 2.062 469 R HA -0.144 4.198 4.340 0.003 0.000 0.229 469 R C 2.257 178.631 176.300 0.122 0.000 1.128 469 R CA 1.457 57.565 56.100 0.013 0.000 0.960 469 R CB -0.290 29.995 30.300 -0.026 0.000 0.855 469 R HN 0.454 nan 8.270 nan 0.000 0.432 470 H N 0.202 119.307 119.070 0.059 0.000 2.319 470 H HA -0.131 4.427 4.556 0.003 0.000 0.299 470 H C 2.111 177.497 175.328 0.096 0.000 1.092 470 H CA 1.520 57.606 56.048 0.063 0.000 1.302 470 H CB -0.054 29.729 29.762 0.035 0.000 1.373 470 H HN 0.188 nan 8.280 nan 0.000 0.497 471 L N 0.647 122.002 121.223 0.220 0.000 2.362 471 L HA -0.080 4.262 4.340 0.003 0.000 0.219 471 L C 1.759 178.821 176.870 0.320 0.000 1.134 471 L CA 1.146 56.126 54.840 0.234 0.000 0.807 471 L CB -0.158 41.992 42.059 0.151 0.000 0.927 471 L HN 0.397 nan 8.230 nan 0.000 0.447 472 T N -4.236 110.437 114.554 0.199 0.000 3.223 472 T HA 0.259 4.611 4.350 0.003 0.000 0.259 472 T C 0.340 175.095 174.700 0.091 0.000 1.015 472 T CA 0.016 62.189 62.100 0.122 0.000 0.908 472 T CB -0.059 68.856 68.868 0.078 0.000 1.054 472 T HN 0.238 nan 8.240 nan 0.000 0.567 473 S N 0.529 116.322 115.700 0.155 0.000 2.565 473 S HA 0.535 5.006 4.470 0.003 0.000 0.269 473 S C -0.609 174.099 174.600 0.180 0.000 1.153 473 S CA -1.144 57.122 58.200 0.109 0.000 0.835 473 S CB 1.338 64.598 63.200 0.100 0.000 1.122 473 S HN 0.324 nan 8.310 nan 0.000 0.462 474 R N 0.951 121.508 120.500 0.094 0.000 3.264 474 R HA -0.213 4.129 4.340 0.003 0.000 0.251 474 R C -0.628 175.794 176.300 0.202 0.000 0.971 474 R CA 1.605 57.769 56.100 0.106 0.000 0.658 474 R CB -2.986 27.376 30.300 0.102 0.000 1.095 474 R HN 1.211 nan 8.270 nan 0.000 0.443 475 H N -4.571 114.503 119.070 0.006 0.000 3.057 475 H HA 0.106 4.664 4.556 0.003 0.000 0.308 475 H C 0.432 175.756 175.328 -0.007 0.000 1.276 475 H CA -0.639 55.410 56.048 0.001 0.000 1.325 475 H CB 0.440 30.256 29.762 0.090 0.000 1.963 475 H HN -0.029 nan 8.280 nan 0.000 0.524 476 Q N 0.512 120.303 119.800 -0.015 0.000 2.325 476 Q HA -0.163 4.179 4.340 0.003 0.000 0.211 476 Q C 0.522 176.458 176.000 -0.106 0.000 0.988 476 Q CA 1.724 57.491 55.803 -0.059 0.000 0.887 476 Q CB 0.058 28.797 28.738 0.003 0.000 0.915 476 Q HN 0.606 nan 8.270 nan 0.000 0.440 477 E N -0.487 119.638 120.200 -0.125 0.000 2.474 477 E HA 0.123 4.475 4.350 0.003 0.000 0.195 477 E C 1.532 177.934 176.600 -0.329 0.000 1.039 477 E CA 0.362 56.714 56.400 -0.080 0.000 0.881 477 E CB 0.262 30.125 29.700 0.272 0.000 0.970 477 E HN 0.310 nan 8.360 nan 0.000 0.486 478 A N 1.414 123.709 122.820 -0.876 0.000 1.873 478 A HA -0.276 4.046 4.320 0.003 0.000 0.218 478 A C 2.153 179.630 177.584 -0.177 0.000 1.193 478 A CA 1.927 53.657 52.037 -0.511 0.000 0.629 478 A CB -0.468 18.273 19.000 -0.432 0.000 0.826 478 A HN 0.288 nan 8.150 nan 0.000 0.447 479 E N -0.941 119.166 120.200 -0.154 0.000 2.070 479 E HA -0.259 4.093 4.350 0.003 0.000 0.197 479 E C 2.063 178.632 176.600 -0.052 0.000 1.004 479 E CA 1.649 57.999 56.400 -0.084 0.000 0.805 479 E CB -0.223 29.432 29.700 -0.076 0.000 0.744 479 E HN 0.613 nan 8.360 nan 0.000 0.451 480 M N 0.578 120.153 119.600 -0.041 0.000 2.080 480 M HA -0.196 4.286 4.480 0.003 0.000 0.260 480 M C 2.194 178.507 176.300 0.021 0.000 1.068 480 M CA 2.135 57.433 55.300 -0.004 0.000 1.109 480 M CB -0.530 32.080 32.600 0.018 0.000 1.342 480 M HN 0.189 nan 8.290 nan 0.000 0.405 481 A N -0.017 122.824 122.820 0.035 0.000 1.933 481 A HA -0.222 4.100 4.320 0.003 0.000 0.218 481 A C 1.921 179.534 177.584 0.048 0.000 1.175 481 A CA 1.802 53.880 52.037 0.070 0.000 0.628 481 A CB -0.745 18.322 19.000 0.112 0.000 0.814 481 A HN 0.737 nan 8.150 nan 0.000 0.444 482 Q N -0.169 119.641 119.800 0.016 0.000 2.096 482 Q HA -0.154 4.188 4.340 0.003 0.000 0.204 482 Q C 1.838 177.835 176.000 -0.004 0.000 0.982 482 Q CA 1.741 57.547 55.803 0.004 0.000 0.850 482 Q CB -0.151 28.576 28.738 -0.018 0.000 0.901 482 Q HN 0.672 nan 8.270 nan 0.000 0.422 483 N N -0.232 118.459 118.700 -0.016 0.000 2.300 483 N HA -0.042 4.700 4.740 0.003 0.000 0.179 483 N C 1.622 177.118 175.510 -0.022 0.000 1.016 483 N CA 0.966 53.995 53.050 -0.035 0.000 0.876 483 N CB -0.079 38.380 38.487 -0.047 0.000 0.979 483 N HN 0.195 nan 8.380 nan 0.000 0.432 484 A N 1.320 124.155 122.820 0.025 0.000 1.883 484 A HA -0.115 4.206 4.320 0.003 0.000 0.217 484 A C 2.524 180.204 177.584 0.161 0.000 1.186 484 A CA 1.383 53.480 52.037 0.100 0.000 0.624 484 A CB -0.895 18.199 19.000 0.157 0.000 0.822 484 A HN 0.082 nan 8.150 nan 0.000 0.444 485 V N 0.026 120.005 119.914 0.109 0.000 2.332 485 V HA -0.306 3.816 4.120 0.003 0.000 0.248 485 V C 2.675 178.813 176.094 0.074 0.000 1.055 485 V CA 2.528 64.890 62.300 0.105 0.000 1.038 485 V CB -0.845 31.016 31.823 0.063 0.000 0.651 485 V HN 0.706 nan 8.190 nan 0.000 0.450 486 R N 0.007 120.510 120.500 0.004 0.000 2.061 486 R HA -0.078 4.263 4.340 0.003 0.000 0.230 486 R C 2.195 178.396 176.300 -0.164 0.000 1.140 486 R CA 1.553 57.613 56.100 -0.067 0.000 0.940 486 R CB -0.368 29.883 30.300 -0.082 0.000 0.839 486 R HN 0.444 nan 8.270 nan 0.000 0.429 487 L N 0.463 121.575 121.223 -0.185 0.000 2.651 487 L HA -0.142 4.200 4.340 0.003 0.000 0.236 487 L C 1.210 177.863 176.870 -0.362 0.000 1.173 487 L CA 0.634 55.284 54.840 -0.316 0.000 0.843 487 L CB -0.316 41.565 42.059 -0.297 0.000 0.964 487 L HN 0.374 nan 8.230 nan 0.000 0.454 488 H N -1.870 117.200 119.070 -0.000 0.000 2.674 488 H HA 0.116 4.674 4.556 0.003 0.000 0.274 488 H C -0.257 175.299 175.328 0.380 0.000 1.121 488 H CA -0.302 55.867 56.048 0.201 0.000 1.132 488 H CB 0.486 30.320 29.762 0.120 0.000 1.606 488 H HN 0.201 nan 8.280 nan 0.000 0.558 489 Y N -0.694 119.657 120.300 0.086 0.000 3.790 489 Y HA -0.235 4.317 4.550 0.003 0.000 0.226 489 Y C 1.769 177.704 175.900 0.057 0.000 1.257 489 Y CA 0.542 58.675 58.100 0.056 0.000 1.765 489 Y CB -1.796 36.693 38.460 0.048 0.000 1.552 489 Y HN 0.346 nan 8.280 nan 0.000 0.650 490 G N -0.505 108.389 108.800 0.157 0.000 2.492 490 G HA2 -0.013 3.949 3.960 0.003 0.000 0.214 490 G HA3 -0.013 3.949 3.960 0.003 0.000 0.214 490 G C 1.494 176.440 174.900 0.077 0.000 1.147 490 G CA 0.576 45.743 45.100 0.113 0.000 0.809 490 G HN 0.414 nan 8.290 nan 0.000 0.533 491 L N 0.911 122.166 121.223 0.054 0.000 2.010 491 L HA -0.151 4.191 4.340 0.003 0.000 0.219 491 L C 0.172 177.074 176.870 0.053 0.000 1.077 491 L CA 1.797 56.662 54.840 0.042 0.000 0.773 491 L CB -1.527 40.544 42.059 0.020 0.000 0.892 491 L HN 0.193 nan 8.230 nan 0.000 0.436 492 P HA -0.198 nan 4.420 nan 0.000 0.212 492 P C 1.962 179.303 177.300 0.069 0.000 1.178 492 P CA 1.324 64.466 63.100 0.069 0.000 0.915 492 P CB -0.049 31.700 31.700 0.081 0.000 0.788 493 V N -0.344 119.612 119.914 0.069 0.000 2.392 493 V HA -0.220 3.902 4.120 0.003 0.000 0.249 493 V C 2.149 178.273 176.094 0.051 0.000 1.059 493 V CA 1.943 64.279 62.300 0.059 0.000 1.051 493 V CB -0.981 30.875 31.823 0.056 0.000 0.658 493 V HN -0.113 nan 8.190 nan 0.000 0.455 494 V N -0.476 119.467 119.914 0.048 0.000 2.261 494 V HA -0.204 3.918 4.120 0.003 0.000 0.246 494 V C 2.488 178.599 176.094 0.028 0.000 1.047 494 V CA 2.166 64.487 62.300 0.035 0.000 1.015 494 V CB -0.401 31.443 31.823 0.034 0.000 0.642 494 V HN 0.446 nan 8.190 nan 0.000 0.446 495 V N 0.089 120.027 119.914 0.041 0.000 2.392 495 V HA -0.336 3.786 4.120 0.003 0.000 0.249 495 V C 2.445 178.570 176.094 0.051 0.000 1.059 495 V CA 2.463 64.787 62.300 0.040 0.000 1.051 495 V CB -0.715 31.151 31.823 0.071 0.000 0.658 495 V HN 0.593 nan 8.190 nan 0.000 0.455 496 K N -0.045 120.418 120.400 0.106 0.000 2.103 496 K HA -0.172 4.150 4.320 0.003 0.000 0.207 496 K C 1.999 178.664 176.600 0.110 0.000 1.048 496 K CA 1.551 57.948 56.287 0.183 0.000 0.930 496 K CB -0.250 32.320 32.500 0.118 0.000 0.716 496 K HN 0.426 nan 8.250 nan 0.000 0.444 497 L N 1.159 122.399 121.223 0.029 0.000 2.450 497 L HA -0.127 4.214 4.340 0.003 0.000 0.224 497 L C 1.943 178.765 176.870 -0.080 0.000 1.149 497 L CA 0.400 55.237 54.840 -0.006 0.000 0.816 497 L CB -0.185 41.875 42.059 0.002 0.000 0.932 497 L HN 0.266 nan 8.230 nan 0.000 0.449 498 L N -1.245 119.864 121.223 -0.189 0.000 2.465 498 L HA -0.054 4.288 4.340 0.003 0.000 0.224 498 L C 0.758 177.350 176.870 -0.464 0.000 1.145 498 L CA 0.241 54.883 54.840 -0.328 0.000 0.834 498 L CB -0.355 41.451 42.059 -0.421 0.000 0.944 498 L HN 0.339 nan 8.230 nan 0.000 0.451 499 H N -1.140 117.904 119.070 -0.044 0.000 2.567 499 H HA 0.348 4.905 4.556 0.003 0.000 0.345 499 H C -2.117 173.155 175.328 -0.093 0.000 1.169 499 H CA -2.601 53.407 56.048 -0.066 0.000 1.227 499 H CB 0.684 30.422 29.762 -0.041 0.000 1.607 499 H HN -0.230 nan 8.280 nan 0.000 0.534 500 P HA -0.056 nan 4.420 nan 0.000 0.269 500 P C -1.330 175.956 177.300 -0.024 0.000 1.211 500 P CA -0.661 62.393 63.100 -0.077 0.000 0.781 500 P CB 0.344 31.991 31.700 -0.088 0.000 0.877 501 P HA -0.064 nan 4.420 nan 0.000 0.223 501 P C -0.242 176.974 177.300 -0.141 0.000 1.151 501 P CA 0.632 63.678 63.100 -0.090 0.000 0.787 501 P CB -0.032 31.658 31.700 -0.016 0.000 0.788 502 S N 1.106 116.772 115.700 -0.057 0.000 3.332 502 S HA -0.128 4.343 4.470 0.003 0.000 0.398 502 S C 0.545 175.048 174.600 -0.162 0.000 1.174 502 S CA 0.458 58.636 58.200 -0.037 0.000 0.953 502 S CB -0.659 62.506 63.200 -0.060 0.000 0.664 502 S HN 0.309 nan 8.310 nan 0.000 0.491 503 H N 1.222 120.203 119.070 -0.148 0.000 2.495 503 H HA 0.072 4.630 4.556 0.003 0.000 0.350 503 H C 0.804 176.051 175.328 -0.134 0.000 1.202 503 H CA -0.714 55.219 56.048 -0.192 0.000 1.322 503 H CB 0.495 30.220 29.762 -0.062 0.000 1.544 503 H HN 0.766 nan 8.280 nan 0.000 0.565 504 W N 1.358 122.728 121.300 0.117 0.000 2.290 504 W HA -0.204 4.458 4.660 0.003 0.000 0.328 504 W C -0.337 176.213 176.519 0.052 0.000 1.272 504 W CA 1.022 58.402 57.345 0.059 0.000 1.262 504 W CB -1.462 28.026 29.460 0.046 0.000 1.151 504 W HN 0.642 nan 8.180 nan 0.000 0.473 505 P HA -0.254 nan 4.420 nan 0.000 0.215 505 P C 1.674 179.058 177.300 0.141 0.000 1.163 505 P CA 1.846 65.058 63.100 0.185 0.000 0.894 505 P CB -0.430 31.352 31.700 0.136 0.000 0.791 506 L N -0.338 120.957 121.223 0.119 0.000 2.017 506 L HA -0.112 4.230 4.340 0.003 0.000 0.208 506 L C 2.663 179.575 176.870 0.069 0.000 1.073 506 L CA 1.588 56.472 54.840 0.074 0.000 0.745 506 L CB -1.424 40.669 42.059 0.057 0.000 0.894 506 L HN -0.166 nan 8.230 nan 0.000 0.432 507 I N -0.383 120.238 120.570 0.085 0.000 2.179 507 I HA -0.338 3.834 4.170 0.003 0.000 0.242 507 I C 2.591 178.786 176.117 0.130 0.000 1.088 507 I CA 1.674 63.024 61.300 0.082 0.000 1.357 507 I CB -0.499 37.550 38.000 0.082 0.000 1.051 507 I HN 0.359 nan 8.210 nan 0.000 0.409 508 K N 1.507 122.020 120.400 0.188 0.000 2.044 508 K HA -0.263 4.059 4.320 0.003 0.000 0.210 508 K C 2.194 178.843 176.600 0.081 0.000 1.049 508 K CA 1.934 58.301 56.287 0.134 0.000 0.927 508 K CB -0.186 32.384 32.500 0.117 0.000 0.713 508 K HN 0.306 nan 8.250 nan 0.000 0.443 509 A N 0.530 123.391 122.820 0.068 0.000 1.902 509 A HA -0.141 4.181 4.320 0.003 0.000 0.217 509 A C 2.189 179.788 177.584 0.025 0.000 1.181 509 A CA 2.257 54.315 52.037 0.035 0.000 0.623 509 A CB -1.033 17.978 19.000 0.019 0.000 0.818 509 A HN 0.523 nan 8.150 nan 0.000 0.443 510 T N -0.365 114.206 114.554 0.028 0.000 2.777 510 T HA -0.099 4.253 4.350 0.003 0.000 0.266 510 T C 1.867 176.580 174.700 0.022 0.000 1.040 510 T CA 1.434 63.544 62.100 0.017 0.000 1.141 510 T CB -0.468 68.403 68.868 0.004 0.000 0.868 510 T HN 0.150 nan 8.240 nan 0.000 0.444 511 V N 1.682 121.618 119.914 0.035 0.000 2.255 511 V HA -0.137 3.985 4.120 0.003 0.000 0.247 511 V C 2.931 179.047 176.094 0.037 0.000 1.051 511 V CA 2.081 64.404 62.300 0.039 0.000 1.018 511 V CB -1.459 30.398 31.823 0.057 0.000 0.641 511 V HN 0.600 nan 8.190 nan 0.000 0.445 512 G N -0.070 108.754 108.800 0.041 0.000 2.469 512 G HA2 -0.291 3.671 3.960 0.003 0.000 0.219 512 G HA3 -0.291 3.671 3.960 0.003 0.000 0.219 512 G C 1.586 176.509 174.900 0.038 0.000 1.150 512 G CA 1.316 46.441 45.100 0.042 0.000 0.763 512 G HN 0.448 nan 8.290 nan 0.000 0.561 513 L N 0.836 122.077 121.223 0.029 0.000 2.046 513 L HA 0.087 4.429 4.340 0.003 0.000 0.208 513 L C 2.638 179.526 176.870 0.031 0.000 1.077 513 L CA 1.310 56.166 54.840 0.027 0.000 0.747 513 L CB -0.503 41.565 42.059 0.015 0.000 0.896 513 L HN 0.285 nan 8.230 nan 0.000 0.432 514 I N -0.555 120.032 120.570 0.029 0.000 2.286 514 I HA -0.292 3.880 4.170 0.003 0.000 0.248 514 I C 2.734 178.871 176.117 0.033 0.000 1.115 514 I CA 1.354 62.672 61.300 0.031 0.000 1.392 514 I CB -0.416 37.601 38.000 0.027 0.000 1.065 514 I HN 0.372 nan 8.210 nan 0.000 0.418 515 R N 1.299 121.817 120.500 0.031 0.000 2.083 515 R HA -0.196 4.146 4.340 0.003 0.000 0.237 515 R C 2.123 178.439 176.300 0.026 0.000 1.137 515 R CA 1.928 58.042 56.100 0.025 0.000 0.951 515 R CB -0.178 30.136 30.300 0.024 0.000 0.851 515 R HN 0.356 nan 8.270 nan 0.000 0.434 516 N N 0.933 119.652 118.700 0.032 0.000 2.084 516 N HA -0.171 4.570 4.740 0.003 0.000 0.190 516 N C 1.969 177.497 175.510 0.029 0.000 1.030 516 N CA 1.402 54.471 53.050 0.032 0.000 0.849 516 N CB -0.403 38.112 38.487 0.045 0.000 1.012 516 N HN 0.243 nan 8.380 nan 0.000 0.423 517 L N 0.874 122.116 121.223 0.032 0.000 2.129 517 L HA -0.144 4.198 4.340 0.003 0.000 0.212 517 L C 2.206 179.099 176.870 0.039 0.000 1.087 517 L CA 1.209 56.066 54.840 0.029 0.000 0.757 517 L CB -0.481 41.596 42.059 0.031 0.000 0.896 517 L HN 0.124 nan 8.230 nan 0.000 0.434 518 A N -0.416 122.441 122.820 0.062 0.000 2.168 518 A HA -0.026 4.296 4.320 0.003 0.000 0.215 518 A C 2.191 179.862 177.584 0.144 0.000 1.152 518 A CA 0.788 52.903 52.037 0.129 0.000 0.716 518 A CB -0.538 18.516 19.000 0.090 0.000 0.794 518 A HN 0.398 nan 8.150 nan 0.000 0.465 519 L N -0.986 120.272 121.223 0.058 0.000 2.201 519 L HA -0.089 4.253 4.340 0.003 0.000 0.212 519 L C 1.422 178.296 176.870 0.007 0.000 1.105 519 L CA 0.251 55.112 54.840 0.035 0.000 0.775 519 L CB -0.412 41.647 42.059 0.001 0.000 0.913 519 L HN 0.544 nan 8.230 nan 0.000 0.440 520 C N 2.538 121.816 119.300 -0.037 0.000 2.281 520 C HA 0.259 4.721 4.460 0.003 0.000 0.336 520 C C -0.311 174.496 174.990 -0.306 0.000 1.217 520 C CA -2.060 56.889 59.018 -0.115 0.000 1.730 520 C CB 0.327 28.014 27.740 -0.088 0.000 2.338 520 C HN 0.150 nan 8.230 nan 0.000 0.521 521 P HA -0.150 nan 4.420 nan 0.000 0.218 521 P C 1.107 178.046 177.300 -0.603 0.000 1.146 521 P CA 2.085 64.662 63.100 -0.872 0.000 0.813 521 P CB 0.027 31.530 31.700 -0.328 0.000 0.778 522 A N -0.899 121.739 122.820 -0.304 0.000 2.258 522 A HA -0.036 4.286 4.320 0.003 0.000 0.206 522 A C 1.671 179.165 177.584 -0.151 0.000 1.222 522 A CA 0.728 52.657 52.037 -0.180 0.000 0.822 522 A CB -0.977 17.949 19.000 -0.123 0.000 0.804 522 A HN 0.133 nan 8.150 nan 0.000 0.483 523 N N -1.474 117.110 118.700 -0.193 0.000 2.210 523 N HA 0.102 4.844 4.740 0.003 0.000 0.203 523 N C 1.044 176.579 175.510 0.041 0.000 1.175 523 N CA 0.223 53.234 53.050 -0.065 0.000 0.894 523 N CB -0.168 38.300 38.487 -0.031 0.000 1.041 523 N HN 0.722 nan 8.380 nan 0.000 0.506 524 H N 0.734 119.804 119.070 -0.000 0.000 2.251 524 H HA -0.089 4.469 4.556 0.003 0.000 0.294 524 H C 1.929 177.266 175.328 0.014 0.000 1.078 524 H CA 1.659 57.714 56.048 0.011 0.000 1.246 524 H CB 0.181 29.956 29.762 0.020 0.000 1.358 524 H HN 0.185 nan 8.280 nan 0.000 0.488 525 A N 1.244 124.152 122.820 0.147 0.000 1.851 525 A HA -0.124 4.198 4.320 0.003 0.000 0.216 525 A C -0.162 177.444 177.584 0.036 0.000 1.195 525 A CA 1.780 53.858 52.037 0.069 0.000 0.622 525 A CB -1.470 17.549 19.000 0.032 0.000 0.831 525 A HN 0.307 nan 8.150 nan 0.000 0.444 526 P HA -0.169 nan 4.420 nan 0.000 0.215 526 P C 1.567 178.881 177.300 0.023 0.000 1.157 526 P CA 0.955 64.058 63.100 0.005 0.000 0.874 526 P CB -0.082 31.607 31.700 -0.018 0.000 0.790 527 L N -0.660 120.587 121.223 0.040 0.000 2.083 527 L HA -0.110 4.232 4.340 0.003 0.000 0.209 527 L C 2.576 179.476 176.870 0.051 0.000 1.083 527 L CA 1.735 56.605 54.840 0.050 0.000 0.752 527 L CB -1.084 41.016 42.059 0.068 0.000 0.899 527 L HN -0.168 nan 8.230 nan 0.000 0.433 528 R N -0.186 120.347 120.500 0.054 0.000 2.062 528 R HA -0.159 4.183 4.340 0.003 0.000 0.231 528 R C 1.903 178.224 176.300 0.035 0.000 1.136 528 R CA 1.670 57.798 56.100 0.046 0.000 0.948 528 R CB -0.209 30.119 30.300 0.047 0.000 0.845 528 R HN 0.454 nan 8.270 nan 0.000 0.430 529 E N 0.082 120.296 120.200 0.024 0.000 2.463 529 E HA -0.161 4.191 4.350 0.003 0.000 0.201 529 E C 1.141 177.756 176.600 0.025 0.000 1.045 529 E CA 0.405 56.815 56.400 0.016 0.000 0.872 529 E CB 0.165 29.868 29.700 0.004 0.000 0.797 529 E HN 0.347 nan 8.360 nan 0.000 0.538 530 Q N -0.560 119.263 119.800 0.037 0.000 2.246 530 Q HA 0.098 4.439 4.340 0.003 0.000 0.202 530 Q C 0.908 176.948 176.000 0.066 0.000 0.883 530 Q CA 0.419 56.252 55.803 0.049 0.000 0.952 530 Q CB 1.066 29.837 28.738 0.055 0.000 1.078 530 Q HN 0.379 nan 8.270 nan 0.000 0.493 531 G N 1.011 109.845 108.800 0.057 0.000 2.198 531 G HA2 -0.359 3.603 3.960 0.003 0.000 0.260 531 G HA3 -0.359 3.603 3.960 0.003 0.000 0.260 531 G C 0.949 175.905 174.900 0.093 0.000 1.025 531 G CA 0.602 45.743 45.100 0.068 0.000 0.769 531 G HN 0.474 nan 8.290 nan 0.000 0.507 532 A N -0.403 122.463 122.820 0.077 0.000 1.897 532 A HA 0.257 4.579 4.320 0.003 0.000 0.215 532 A C 2.389 180.008 177.584 0.058 0.000 1.181 532 A CA 1.670 53.746 52.037 0.066 0.000 0.620 532 A CB -0.236 18.794 19.000 0.050 0.000 0.821 532 A HN 0.718 nan 8.150 nan 0.000 0.443 533 I N 0.035 120.639 120.570 0.056 0.000 2.163 533 I HA -0.188 3.983 4.170 0.003 0.000 0.243 533 I C -0.535 175.617 176.117 0.059 0.000 1.085 533 I CA 1.529 62.862 61.300 0.055 0.000 1.347 533 I CB -1.251 36.780 38.000 0.051 0.000 1.044 533 I HN 0.205 nan 8.210 nan 0.000 0.408 534 P HA -0.205 nan 4.420 nan 0.000 0.215 534 P C 1.531 178.873 177.300 0.069 0.000 1.157 534 P CA 1.387 64.520 63.100 0.056 0.000 0.874 534 P CB -0.048 31.685 31.700 0.055 0.000 0.790 535 R N 0.048 120.603 120.500 0.091 0.000 2.075 535 R HA -0.054 4.288 4.340 0.003 0.000 0.232 535 R C 2.170 178.504 176.300 0.056 0.000 1.126 535 R CA 1.517 57.675 56.100 0.096 0.000 0.963 535 R CB -1.659 28.708 30.300 0.113 0.000 0.858 535 R HN 0.132 nan 8.270 nan 0.000 0.435 536 L N -0.470 120.783 121.223 0.050 0.000 2.017 536 L HA -0.164 4.178 4.340 0.003 0.000 0.208 536 L C 2.307 179.222 176.870 0.074 0.000 1.073 536 L CA 1.258 56.133 54.840 0.058 0.000 0.745 536 L CB -0.542 41.554 42.059 0.061 0.000 0.894 536 L HN 0.024 nan 8.230 nan 0.000 0.432 537 V N -0.302 119.654 119.914 0.069 0.000 2.407 537 V HA -0.338 3.784 4.120 0.003 0.000 0.248 537 V C 2.472 178.597 176.094 0.050 0.000 1.055 537 V CA 2.001 64.334 62.300 0.055 0.000 1.049 537 V CB -0.545 31.295 31.823 0.028 0.000 0.662 537 V HN 0.546 nan 8.190 nan 0.000 0.455 538 Q N -0.174 119.662 119.800 0.059 0.000 2.050 538 Q HA -0.194 4.148 4.340 0.003 0.000 0.202 538 Q C 2.240 178.294 176.000 0.091 0.000 0.980 538 Q CA 1.900 57.743 55.803 0.067 0.000 0.840 538 Q CB -0.186 28.596 28.738 0.073 0.000 0.898 538 Q HN 0.609 nan 8.270 nan 0.000 0.424 539 L N 0.338 121.624 121.223 0.106 0.000 2.046 539 L HA -0.190 4.152 4.340 0.003 0.000 0.208 539 L C 2.482 179.435 176.870 0.139 0.000 1.077 539 L CA 0.545 55.481 54.840 0.160 0.000 0.747 539 L CB -0.565 41.597 42.059 0.171 0.000 0.896 539 L HN 0.357 nan 8.230 nan 0.000 0.432 540 L N -0.429 120.858 121.223 0.107 0.000 1.989 540 L HA -0.159 4.182 4.340 0.003 0.000 0.211 540 L C 2.386 179.321 176.870 0.109 0.000 1.071 540 L CA 1.750 56.650 54.840 0.099 0.000 0.749 540 L CB -0.597 41.520 42.059 0.096 0.000 0.890 540 L HN -0.075 nan 8.230 nan 0.000 0.431 541 V N 0.394 120.360 119.914 0.088 0.000 2.214 541 V HA -0.306 3.815 4.120 0.003 0.000 0.245 541 V C 2.839 179.002 176.094 0.115 0.000 1.047 541 V CA 2.099 64.458 62.300 0.098 0.000 0.998 541 V CB -0.827 31.029 31.823 0.054 0.000 0.633 541 V HN 0.449 nan 8.190 nan 0.000 0.446 542 R N 0.427 120.985 120.500 0.097 0.000 2.113 542 R HA -0.195 4.147 4.340 0.003 0.000 0.244 542 R C 2.366 178.710 176.300 0.073 0.000 1.142 542 R CA 1.909 58.063 56.100 0.090 0.000 0.953 542 R CB -1.594 28.779 30.300 0.123 0.000 0.860 542 R HN 0.578 nan 8.270 nan 0.000 0.438 543 A N 0.610 123.479 122.820 0.081 0.000 1.883 543 A HA -0.244 4.078 4.320 0.003 0.000 0.217 543 A C 2.159 179.747 177.584 0.006 0.000 1.186 543 A CA 2.022 54.057 52.037 -0.005 0.000 0.624 543 A CB -0.854 18.119 19.000 -0.045 0.000 0.822 543 A HN 0.543 nan 8.150 nan 0.000 0.444 544 H N -0.107 118.954 119.070 -0.015 0.000 2.387 544 H HA -0.121 4.437 4.556 0.003 0.000 0.299 544 H C 2.046 177.371 175.328 -0.004 0.000 1.099 544 H CA 2.198 58.240 56.048 -0.009 0.000 1.315 544 H CB -0.259 29.507 29.762 0.006 0.000 1.380 544 H HN 0.612 nan 8.280 nan 0.000 0.513 545 Q N -0.237 119.454 119.800 -0.182 0.000 2.124 545 Q HA -0.156 4.186 4.340 0.003 0.000 0.202 545 Q C 1.889 177.788 176.000 -0.168 0.000 0.977 545 Q CA 1.276 56.954 55.803 -0.207 0.000 0.850 545 Q CB 0.012 28.715 28.738 -0.059 0.000 0.901 545 Q HN 0.595 nan 8.270 nan 0.000 0.429 546 D N 0.364 120.700 120.400 -0.107 0.000 2.097 546 D HA -0.134 4.508 4.640 0.003 0.000 0.195 546 D C 1.937 178.176 176.300 -0.102 0.000 0.989 546 D CA 1.884 55.836 54.000 -0.080 0.000 0.827 546 D CB 0.075 40.836 40.800 -0.065 0.000 0.966 546 D HN 0.334 nan 8.370 nan 0.000 0.456 547 T N -1.510 112.968 114.554 -0.128 0.000 3.077 547 T HA -0.094 4.258 4.350 0.003 0.000 0.269 547 T C 1.539 176.168 174.700 -0.118 0.000 1.146 547 T CA 0.814 62.854 62.100 -0.100 0.000 1.091 547 T CB 0.177 69.013 68.868 -0.053 0.000 0.892 547 T HN 0.021 nan 8.240 nan 0.000 0.533 548 Q N 1.170 120.858 119.800 -0.188 0.000 2.390 548 Q HA 0.162 4.504 4.340 0.003 0.000 0.216 548 Q C 2.500 178.447 176.000 -0.088 0.000 0.916 548 Q CA 0.815 56.523 55.803 -0.157 0.000 0.911 548 Q CB -0.146 28.441 28.738 -0.252 0.000 1.035 548 Q HN 0.822 nan 8.270 nan 0.000 0.541 549 R N 0.308 120.759 120.500 -0.081 0.000 2.280 549 R HA 0.107 4.449 4.340 0.003 0.000 0.207 549 R C 1.108 177.391 176.300 -0.029 0.000 1.043 549 R CA 0.457 56.529 56.100 -0.045 0.000 1.006 549 R CB 0.036 30.315 30.300 -0.035 0.000 0.885 549 R HN -0.103 nan 8.270 nan 0.000 0.467 550 R N 0.668 121.149 120.500 -0.032 0.000 2.356 550 R HA 0.116 4.458 4.340 0.003 0.000 0.234 550 R C 0.378 176.672 176.300 -0.009 0.000 0.929 550 R CA 0.415 56.507 56.100 -0.014 0.000 1.084 550 R CB 0.514 30.808 30.300 -0.010 0.000 1.105 550 R HN 0.232 nan 8.270 nan 0.000 0.515 551 T N -0.185 114.360 114.554 -0.015 0.000 3.038 551 T HA 0.012 4.363 4.350 0.003 0.000 0.244 551 T C 1.100 175.796 174.700 -0.006 0.000 1.016 551 T CA 0.351 62.446 62.100 -0.008 0.000 1.098 551 T CB 0.308 69.170 68.868 -0.011 0.000 0.954 551 T HN 0.328 nan 8.240 nan 0.000 0.469 561 V N 2.121 122.084 119.914 0.082 0.000 2.671 561 V HA 0.363 4.484 4.120 0.003 0.000 0.292 561 V C -0.306 175.896 176.094 0.181 0.000 1.115 561 V CA -1.394 60.972 62.300 0.110 0.000 0.918 561 V CB 1.607 33.453 31.823 0.039 0.000 1.036 561 V HN 0.818 nan 8.190 nan 0.000 0.445 562 E N 3.124 123.458 120.200 0.223 0.000 2.791 562 E HA -0.299 4.053 4.350 0.003 0.000 0.271 562 E C 1.292 178.007 176.600 0.192 0.000 1.044 562 E CA 0.910 57.452 56.400 0.236 0.000 0.814 562 E CB -1.238 28.678 29.700 0.359 0.000 1.400 562 E HN 1.643 nan 8.360 nan 0.000 0.423 563 G N -1.390 107.521 108.800 0.186 0.000 2.579 563 G HA2 -0.378 3.584 3.960 0.003 0.000 0.222 563 G HA3 -0.378 3.584 3.960 0.003 0.000 0.222 563 G C 0.487 175.429 174.900 0.069 0.000 1.201 563 G CA -0.036 45.177 45.100 0.189 0.000 0.710 563 G HN 0.443 nan 8.290 nan 0.000 0.516 564 V N 3.437 123.351 119.914 -0.000 0.000 2.740 564 V HA 0.458 4.580 4.120 0.003 0.000 0.303 564 V C 1.006 176.871 176.094 -0.382 0.000 1.054 564 V CA 0.707 62.910 62.300 -0.161 0.000 1.106 564 V CB 1.067 32.842 31.823 -0.079 0.000 0.957 564 V HN 0.807 nan 8.190 nan 0.000 0.486 565 R N 4.716 124.903 120.500 -0.521 0.000 2.387 565 R HA 0.478 4.820 4.340 0.003 0.000 0.314 565 R C 0.618 176.657 176.300 -0.436 0.000 0.958 565 R CA -0.900 54.845 56.100 -0.591 0.000 0.846 565 R CB 0.989 30.769 30.300 -0.866 0.000 1.147 565 R HN 0.431 nan 8.270 nan 0.000 0.447 566 M N 1.723 121.070 119.600 -0.423 0.000 2.146 566 M HA -0.238 4.244 4.480 0.003 0.000 0.256 566 M C 1.303 177.466 176.300 -0.228 0.000 1.075 566 M CA 1.898 56.972 55.300 -0.378 0.000 1.082 566 M CB -1.058 31.365 32.600 -0.295 0.000 1.355 566 M HN 0.765 nan 8.290 nan 0.000 0.402 567 E N -0.188 119.906 120.200 -0.177 0.000 2.171 567 E HA -0.218 4.133 4.350 0.003 0.000 0.197 567 E C 1.880 178.424 176.600 -0.094 0.000 0.997 567 E CA 1.257 57.598 56.400 -0.097 0.000 0.810 567 E CB -0.278 29.374 29.700 -0.081 0.000 0.738 567 E HN 0.662 nan 8.360 nan 0.000 0.467 568 E N 0.559 120.674 120.200 -0.143 0.000 2.047 568 E HA -0.149 4.203 4.350 0.003 0.000 0.191 568 E C 2.102 178.656 176.600 -0.076 0.000 0.987 568 E CA 0.675 57.012 56.400 -0.104 0.000 0.799 568 E CB 0.012 29.634 29.700 -0.131 0.000 0.752 568 E HN 0.204 nan 8.360 nan 0.000 0.449 569 I N 1.096 121.591 120.570 -0.125 0.000 2.454 569 I HA -0.190 3.982 4.170 0.003 0.000 0.254 569 I C 2.318 178.425 176.117 -0.017 0.000 1.156 569 I CA 0.910 62.166 61.300 -0.074 0.000 1.433 569 I CB -1.000 36.890 38.000 -0.184 0.000 1.082 569 I HN 0.003 nan 8.210 nan 0.000 0.432 570 V N 0.849 120.749 119.914 -0.024 0.000 2.244 570 V HA -0.253 3.869 4.120 0.003 0.000 0.244 570 V C 2.617 178.724 176.094 0.021 0.000 1.042 570 V CA 1.984 64.298 62.300 0.022 0.000 1.006 570 V CB -0.593 31.254 31.823 0.040 0.000 0.641 570 V HN 0.429 nan 8.190 nan 0.000 0.446 571 E N 0.313 120.516 120.200 0.005 0.000 2.058 571 E HA -0.224 4.128 4.350 0.003 0.000 0.194 571 E C 2.229 178.839 176.600 0.017 0.000 0.997 571 E CA 1.713 58.117 56.400 0.007 0.000 0.801 571 E CB -0.533 29.168 29.700 0.002 0.000 0.746 571 E HN 0.557 nan 8.360 nan 0.000 0.450 572 G N 0.713 109.524 108.800 0.018 0.000 2.459 572 G HA2 -0.324 3.638 3.960 0.003 0.000 0.217 572 G HA3 -0.324 3.638 3.960 0.003 0.000 0.217 572 G C 1.802 176.727 174.900 0.041 0.000 1.183 572 G CA 1.129 46.248 45.100 0.031 0.000 0.776 572 G HN 0.428 nan 8.290 nan 0.000 0.552 573 C N 0.378 119.708 119.300 0.050 0.000 2.446 573 C HA 0.011 4.473 4.460 0.003 0.000 0.277 573 C C 3.265 178.295 174.990 0.067 0.000 1.275 573 C CA 1.496 60.553 59.018 0.065 0.000 1.727 573 C CB -1.036 26.753 27.740 0.082 0.000 2.010 573 C HN 0.452 nan 8.230 nan 0.000 0.486 574 T N 0.515 115.104 114.554 0.058 0.000 2.788 574 T HA -0.049 4.303 4.350 0.003 0.000 0.268 574 T C 1.974 176.664 174.700 -0.017 0.000 1.044 574 T CA 1.692 63.808 62.100 0.026 0.000 1.139 574 T CB -0.537 68.326 68.868 -0.009 0.000 0.867 574 T HN 0.698 nan 8.240 nan 0.000 0.454 575 G N 1.035 109.844 108.800 0.015 0.000 2.408 575 G HA2 -0.013 3.949 3.960 0.003 0.000 0.217 575 G HA3 -0.013 3.949 3.960 0.003 0.000 0.217 575 G C 1.749 176.672 174.900 0.039 0.000 1.150 575 G CA 0.750 45.877 45.100 0.045 0.000 0.776 575 G HN 0.577 nan 8.290 nan 0.000 0.542 576 A N 0.042 122.880 122.820 0.030 0.000 2.066 576 A HA 0.294 4.615 4.320 0.003 0.000 0.218 576 A C 2.291 179.883 177.584 0.012 0.000 1.157 576 A CA 0.668 52.717 52.037 0.021 0.000 0.670 576 A CB -0.185 18.834 19.000 0.031 0.000 0.804 576 A HN 0.362 nan 8.150 nan 0.000 0.453 577 L N -1.811 119.424 121.223 0.020 0.000 2.270 577 L HA -0.045 4.297 4.340 0.003 0.000 0.210 577 L C 2.512 179.366 176.870 -0.026 0.000 1.104 577 L CA 1.005 55.852 54.840 0.012 0.000 0.804 577 L CB -0.403 41.694 42.059 0.062 0.000 0.937 577 L HN 0.568 nan 8.230 nan 0.000 0.450 578 H N 0.688 119.655 119.070 -0.172 0.000 2.357 578 H HA -0.090 4.468 4.556 0.003 0.000 0.301 578 H C 1.968 177.200 175.328 -0.159 0.000 1.082 578 H CA 1.559 57.474 56.048 -0.223 0.000 1.342 578 H CB 0.220 29.835 29.762 -0.245 0.000 1.389 578 H HN 0.046 nan 8.280 nan 0.000 0.511 579 I N -0.149 120.300 120.570 -0.202 0.000 2.876 579 I HA -0.100 4.072 4.170 0.003 0.000 0.264 579 I C 1.994 178.010 176.117 -0.169 0.000 1.204 579 I CA 0.370 61.525 61.300 -0.241 0.000 1.485 579 I CB -0.881 37.032 38.000 -0.144 0.000 1.103 579 I HN 0.251 nan 8.210 nan 0.000 0.446 580 L N 1.438 122.584 121.223 -0.127 0.000 2.179 580 L HA 0.120 4.461 4.340 0.003 0.000 0.208 580 L C 2.265 179.003 176.870 -0.221 0.000 1.096 580 L CA 1.154 55.898 54.840 -0.161 0.000 0.779 580 L CB -0.956 41.065 42.059 -0.063 0.000 0.922 580 L HN 0.177 nan 8.230 nan 0.000 0.443 581 A N -1.029 121.707 122.820 -0.139 0.000 2.215 581 A HA -0.102 4.220 4.320 0.003 0.000 0.208 581 A C 2.078 179.579 177.584 -0.139 0.000 1.296 581 A CA 0.533 52.504 52.037 -0.110 0.000 0.918 581 A CB -0.811 18.149 19.000 -0.066 0.000 0.806 581 A HN 0.413 nan 8.150 nan 0.000 0.490 582 R N -0.573 119.784 120.500 -0.239 0.000 2.254 582 R HA 0.034 4.376 4.340 0.003 0.000 0.195 582 R C -0.178 176.023 176.300 -0.165 0.000 0.957 582 R CA 0.480 56.468 56.100 -0.187 0.000 1.024 582 R CB 0.121 30.326 30.300 -0.158 0.000 0.952 582 R HN 0.585 nan 8.270 nan 0.000 0.484 583 D N -0.064 120.176 120.400 -0.267 0.000 2.232 583 D HA 0.024 4.665 4.640 0.003 0.000 0.242 583 D C 1.094 177.352 176.300 -0.069 0.000 1.093 583 D CA -0.215 53.729 54.000 -0.093 0.000 0.845 583 D CB 1.827 42.592 40.800 -0.060 0.000 1.124 583 D HN -0.266 nan 8.370 nan 0.000 0.467 584 V N 5.293 125.152 119.914 -0.091 0.000 2.317 584 V HA -0.296 3.826 4.120 0.003 0.000 0.251 584 V C 1.684 177.695 176.094 -0.138 0.000 1.065 584 V CA 1.976 64.185 62.300 -0.150 0.000 1.049 584 V CB -0.674 31.002 31.823 -0.246 0.000 0.651 584 V HN 0.728 nan 8.190 nan 0.000 0.450 585 H N 0.017 119.087 119.070 0.001 0.000 2.387 585 H HA -0.082 4.475 4.556 0.003 0.000 0.299 585 H C 2.297 177.624 175.328 -0.002 0.000 1.090 585 H CA 1.801 57.852 56.048 0.005 0.000 1.332 585 H CB -0.384 29.387 29.762 0.015 0.000 1.386 585 H HN 0.474 nan 8.280 nan 0.000 0.516 586 N N 0.943 119.700 118.700 0.096 0.000 2.188 586 N HA -0.078 4.664 4.740 0.003 0.000 0.184 586 N C 2.048 177.569 175.510 0.018 0.000 1.018 586 N CA 0.464 53.536 53.050 0.035 0.000 0.858 586 N CB -0.197 38.270 38.487 -0.033 0.000 0.989 586 N HN 0.337 nan 8.380 nan 0.000 0.426 587 R N 0.575 121.071 120.500 -0.007 0.000 2.105 587 R HA -0.010 4.332 4.340 0.003 0.000 0.239 587 R C 2.172 178.484 176.300 0.019 0.000 1.135 587 R CA 0.815 56.913 56.100 -0.003 0.000 0.967 587 R CB -0.331 29.954 30.300 -0.026 0.000 0.861 587 R HN 0.279 nan 8.270 nan 0.000 0.442 588 I N 0.131 120.715 120.570 0.022 0.000 2.179 588 I HA -0.261 3.911 4.170 0.003 0.000 0.242 588 I C 2.297 178.437 176.117 0.039 0.000 1.088 588 I CA 1.179 62.498 61.300 0.031 0.000 1.357 588 I CB -0.268 37.760 38.000 0.047 0.000 1.051 588 I HN -0.028 nan 8.210 nan 0.000 0.409 589 V N 1.253 121.196 119.914 0.048 0.000 2.261 589 V HA -0.290 3.832 4.120 0.003 0.000 0.246 589 V C 2.334 178.454 176.094 0.042 0.000 1.047 589 V CA 1.951 64.277 62.300 0.043 0.000 1.015 589 V CB -0.474 31.377 31.823 0.046 0.000 0.642 589 V HN 0.316 nan 8.190 nan 0.000 0.446 590 I N -0.490 120.114 120.570 0.056 0.000 2.194 590 I HA -0.286 3.885 4.170 0.003 0.000 0.246 590 I C 2.781 178.942 176.117 0.073 0.000 1.093 590 I CA 1.815 63.168 61.300 0.088 0.000 1.355 590 I CB -0.431 37.648 38.000 0.132 0.000 1.046 590 I HN 0.198 nan 8.210 nan 0.000 0.413 591 R N 0.869 121.406 120.500 0.061 0.000 2.073 591 R HA -0.104 4.238 4.340 0.003 0.000 0.229 591 R C 2.290 178.594 176.300 0.008 0.000 1.120 591 R CA 1.431 57.555 56.100 0.039 0.000 0.967 591 R CB -0.485 29.836 30.300 0.035 0.000 0.862 591 R HN 0.430 nan 8.270 nan 0.000 0.436 592 G N 0.514 109.322 108.800 0.012 0.000 2.498 592 G HA2 -0.157 3.805 3.960 0.003 0.000 0.219 592 G HA3 -0.157 3.805 3.960 0.003 0.000 0.219 592 G C 1.206 176.102 174.900 -0.007 0.000 1.119 592 G CA 0.157 45.259 45.100 0.004 0.000 0.766 592 G HN 0.238 nan 8.290 nan 0.000 0.552 593 L N -0.051 121.164 121.223 -0.014 0.000 2.627 593 L HA 0.172 4.514 4.340 0.003 0.000 0.232 593 L C 1.002 177.835 176.870 -0.061 0.000 1.150 593 L CA -0.119 54.704 54.840 -0.028 0.000 0.917 593 L CB -0.460 41.586 42.059 -0.021 0.000 1.104 593 L HN 0.286 nan 8.230 nan 0.000 0.445 594 N N 0.334 118.994 118.700 -0.066 0.000 2.727 594 N HA -0.205 4.537 4.740 0.003 0.000 0.251 594 N C 0.901 176.309 175.510 -0.169 0.000 1.040 594 N CA 0.871 53.868 53.050 -0.089 0.000 0.712 594 N CB -0.576 37.873 38.487 -0.063 0.000 0.912 594 N HN 0.464 nan 8.380 nan 0.000 0.545 595 T N -3.210 111.190 114.554 -0.256 0.000 3.037 595 T HA 0.211 4.562 4.350 0.003 0.000 0.252 595 T C 1.957 176.198 174.700 -0.766 0.000 1.073 595 T CA 0.480 62.230 62.100 -0.584 0.000 1.091 595 T CB -0.069 68.335 68.868 -0.772 0.000 0.935 595 T HN 0.330 nan 8.240 nan 0.000 0.488 596 I N 2.879 123.247 120.570 -0.335 0.000 2.087 596 I HA -0.150 4.022 4.170 0.003 0.000 0.240 596 I C -0.109 175.936 176.117 -0.119 0.000 1.054 596 I CA 1.932 63.167 61.300 -0.107 0.000 1.311 596 I CB -1.212 36.785 38.000 -0.005 0.000 1.024 596 I HN 0.250 nan 8.210 nan 0.000 0.402 597 P HA -0.224 nan 4.420 nan 0.000 0.216 597 P C 1.878 179.114 177.300 -0.105 0.000 1.153 597 P CA 1.597 64.648 63.100 -0.081 0.000 0.858 597 P CB -0.190 31.471 31.700 -0.065 0.000 0.789 598 L N -0.726 120.372 121.223 -0.208 0.000 1.994 598 L HA -0.116 4.225 4.340 0.003 0.000 0.208 598 L C 2.471 179.249 176.870 -0.154 0.000 1.071 598 L CA 1.838 56.542 54.840 -0.226 0.000 0.745 598 L CB -1.870 39.993 42.059 -0.327 0.000 0.892 598 L HN -0.239 nan 8.230 nan 0.000 0.431 599 F N -0.324 119.549 119.950 -0.128 0.000 2.063 599 F HA -0.235 4.294 4.527 0.003 0.000 0.298 599 F C 2.611 178.313 175.800 -0.164 0.000 1.109 599 F CA 1.601 59.514 58.000 -0.146 0.000 1.212 599 F CB -1.676 37.248 39.000 -0.126 0.000 0.973 599 F HN -0.047 nan 8.300 nan 0.000 0.480 600 V N -0.205 119.739 119.914 0.049 0.000 2.282 600 V HA -0.322 3.800 4.120 0.003 0.000 0.249 600 V C 2.552 178.538 176.094 -0.180 0.000 1.057 600 V CA 1.946 64.194 62.300 -0.088 0.000 1.032 600 V CB -0.742 31.037 31.823 -0.074 0.000 0.645 600 V HN 0.316 nan 8.190 nan 0.000 0.447 601 Q N -0.398 119.352 119.800 -0.083 0.000 2.112 601 Q HA -0.189 4.153 4.340 0.003 0.000 0.206 601 Q C 2.236 178.216 176.000 -0.033 0.000 0.987 601 Q CA 1.712 57.513 55.803 -0.004 0.000 0.858 601 Q CB -0.577 28.182 28.738 0.035 0.000 0.905 601 Q HN 0.601 nan 8.270 nan 0.000 0.420 602 L N 0.233 121.404 121.223 -0.086 0.000 2.265 602 L HA -0.172 4.170 4.340 0.003 0.000 0.215 602 L C 2.260 179.093 176.870 -0.061 0.000 1.117 602 L CA 0.467 55.268 54.840 -0.065 0.000 0.782 602 L CB -0.477 41.546 42.059 -0.060 0.000 0.914 602 L HN 0.202 nan 8.230 nan 0.000 0.441 603 L N -1.520 119.609 121.223 -0.158 0.000 2.191 603 L HA -0.221 4.120 4.340 0.003 0.000 0.212 603 L C 1.810 178.608 176.870 -0.120 0.000 1.103 603 L CA 1.280 56.003 54.840 -0.195 0.000 0.769 603 L CB -0.544 41.313 42.059 -0.335 0.000 0.908 603 L HN 0.265 nan 8.230 nan 0.000 0.438 604 Y N -0.704 119.606 120.300 0.017 0.000 2.502 604 Y HA 0.048 4.600 4.550 0.003 0.000 0.295 604 Y C 1.634 177.552 175.900 0.030 0.000 1.193 604 Y CA -0.701 57.413 58.100 0.024 0.000 1.295 604 Y CB 0.179 38.656 38.460 0.029 0.000 1.059 604 Y HN 0.038 nan 8.280 nan 0.000 0.514 605 S N 1.657 117.440 115.700 0.139 0.000 2.576 605 S HA 0.067 4.539 4.470 0.003 0.000 0.276 605 S C -1.075 173.576 174.600 0.085 0.000 1.339 605 S CA -1.417 56.846 58.200 0.104 0.000 1.039 605 S CB 0.847 64.086 63.200 0.065 0.000 0.902 605 S HN 0.130 nan 8.310 nan 0.000 0.516 606 P HA 0.132 nan 4.420 nan 0.000 0.226 606 P C 0.101 177.427 177.300 0.044 0.000 1.161 606 P CA 0.511 63.645 63.100 0.057 0.000 0.804 606 P CB -0.018 31.712 31.700 0.050 0.000 0.829 607 I N 1.529 122.123 120.570 0.040 0.000 2.406 607 I HA 0.052 4.224 4.170 0.003 0.000 0.293 607 I C 1.691 177.824 176.117 0.027 0.000 1.101 607 I CA -0.063 61.255 61.300 0.030 0.000 1.334 607 I CB 0.210 38.224 38.000 0.024 0.000 1.421 607 I HN -0.092 nan 8.210 nan 0.000 0.513 608 E N 4.346 124.561 120.200 0.026 0.000 2.108 608 E HA -0.272 4.079 4.350 0.003 0.000 0.203 608 E C 1.530 178.144 176.600 0.023 0.000 1.022 608 E CA 1.604 58.019 56.400 0.025 0.000 0.823 608 E CB -0.010 29.704 29.700 0.023 0.000 0.744 608 E HN 0.663 nan 8.360 nan 0.000 0.456 609 N N 0.481 119.195 118.700 0.023 0.000 2.120 609 N HA -0.157 4.584 4.740 0.003 0.000 0.188 609 N C 2.038 177.557 175.510 0.015 0.000 1.024 609 N CA 1.040 54.105 53.050 0.025 0.000 0.852 609 N CB -0.187 38.314 38.487 0.023 0.000 1.003 609 N HN 0.224 nan 8.380 nan 0.000 0.424 610 I N 1.791 122.365 120.570 0.008 0.000 2.163 610 I HA -0.274 3.898 4.170 0.003 0.000 0.240 610 I C 2.437 178.540 176.117 -0.022 0.000 1.081 610 I CA 1.088 62.385 61.300 -0.005 0.000 1.353 610 I CB -0.358 37.646 38.000 0.007 0.000 1.054 610 I HN 0.118 nan 8.210 nan 0.000 0.407 611 Q N 0.247 120.043 119.800 -0.007 0.000 2.096 611 Q HA -0.304 4.037 4.340 0.003 0.000 0.208 611 Q C 2.347 178.334 176.000 -0.023 0.000 0.993 611 Q CA 1.901 57.694 55.803 -0.016 0.000 0.862 611 Q CB -0.350 28.392 28.738 0.007 0.000 0.915 611 Q HN 0.400 nan 8.270 nan 0.000 0.416 612 R N 0.486 120.993 120.500 0.011 0.000 2.082 612 R HA -0.175 4.167 4.340 0.003 0.000 0.234 612 R C 2.289 178.564 176.300 -0.041 0.000 1.136 612 R CA 2.125 58.264 56.100 0.065 0.000 0.935 612 R CB -0.350 30.008 30.300 0.098 0.000 0.842 612 R HN 0.326 nan 8.270 nan 0.000 0.430 613 V N -1.238 118.619 119.914 -0.095 0.000 2.515 613 V HA -0.047 4.075 4.120 0.003 0.000 0.250 613 V C 2.444 178.289 176.094 -0.416 0.000 1.058 613 V CA 1.555 63.707 62.300 -0.246 0.000 1.064 613 V CB -1.222 30.541 31.823 -0.099 0.000 0.675 613 V HN 0.413 nan 8.190 nan 0.000 0.461 614 A N 1.107 123.760 122.820 -0.278 0.000 1.858 614 A HA 0.035 4.357 4.320 0.003 0.000 0.216 614 A C 2.504 179.866 177.584 -0.371 0.000 1.190 614 A CA 2.454 54.310 52.037 -0.301 0.000 0.617 614 A CB -1.188 17.724 19.000 -0.146 0.000 0.827 614 A HN 0.837 nan 8.150 nan 0.000 0.443 615 A N -0.600 122.055 122.820 -0.275 0.000 1.933 615 A HA 0.118 4.440 4.320 0.003 0.000 0.218 615 A C 2.381 179.671 177.584 -0.490 0.000 1.175 615 A CA 1.974 53.867 52.037 -0.241 0.000 0.628 615 A CB -1.345 17.622 19.000 -0.056 0.000 0.814 615 A HN 0.739 nan 8.150 nan 0.000 0.444 616 G N -0.939 107.330 108.800 -0.884 0.000 2.421 616 G HA2 -0.115 3.846 3.960 0.003 0.000 0.216 616 G HA3 -0.115 3.846 3.960 0.003 0.000 0.216 616 G C 1.616 175.683 174.900 -1.388 0.000 1.171 616 G CA 1.157 45.164 45.100 -1.822 0.000 0.775 616 G HN 0.511 nan 8.290 nan 0.000 0.543 617 V N 0.506 119.786 119.914 -1.057 0.000 2.515 617 V HA 0.038 4.160 4.120 0.003 0.000 0.250 617 V C 2.793 178.592 176.094 -0.492 0.000 1.058 617 V CA 1.318 63.227 62.300 -0.651 0.000 1.064 617 V CB -0.194 31.113 31.823 -0.860 0.000 0.675 617 V HN 0.394 nan 8.190 nan 0.000 0.461 618 L N -0.571 120.366 121.223 -0.478 0.000 2.083 618 L HA -0.216 4.126 4.340 0.003 0.000 0.209 618 L C 2.737 179.501 176.870 -0.176 0.000 1.083 618 L CA 1.918 56.609 54.840 -0.249 0.000 0.752 618 L CB -0.651 41.296 42.059 -0.187 0.000 0.899 618 L HN 0.583 nan 8.230 nan 0.000 0.433 619 C N 0.122 119.285 119.300 -0.230 0.000 2.432 619 C HA -0.133 4.328 4.460 0.003 0.000 0.277 619 C C 2.762 177.705 174.990 -0.078 0.000 1.249 619 C CA 0.777 59.723 59.018 -0.119 0.000 1.725 619 C CB -0.605 27.063 27.740 -0.120 0.000 2.028 619 C HN 0.479 nan 8.230 nan 0.000 0.477 620 E N 0.626 120.760 120.200 -0.110 0.000 2.110 620 E HA -0.134 4.217 4.350 0.003 0.000 0.193 620 E C 2.164 178.737 176.600 -0.046 0.000 0.988 620 E CA 1.209 57.578 56.400 -0.051 0.000 0.804 620 E CB -0.470 29.209 29.700 -0.035 0.000 0.745 620 E HN 0.700 nan 8.360 nan 0.000 0.458 621 L N 0.325 121.513 121.223 -0.059 0.000 2.044 621 L HA -0.042 4.300 4.340 0.003 0.000 0.205 621 L C 2.400 179.258 176.870 -0.019 0.000 1.075 621 L CA 0.900 55.724 54.840 -0.026 0.000 0.747 621 L CB -0.511 41.548 42.059 -0.001 0.000 0.903 621 L HN 0.016 nan 8.230 nan 0.000 0.435 622 A N 0.302 123.107 122.820 -0.024 0.000 2.272 622 A HA -0.224 4.098 4.320 0.003 0.000 0.213 622 A C 2.067 179.644 177.584 -0.012 0.000 1.183 622 A CA 1.359 53.386 52.037 -0.017 0.000 0.719 622 A CB -0.709 18.281 19.000 -0.016 0.000 0.771 622 A HN 0.685 nan 8.150 nan 0.000 0.484 623 Q N -0.378 119.417 119.800 -0.008 0.000 2.482 623 Q HA 0.013 4.355 4.340 0.003 0.000 0.209 623 Q C -0.943 175.049 176.000 -0.012 0.000 0.961 623 Q CA 0.417 56.220 55.803 -0.001 0.000 0.945 623 Q CB 0.048 28.789 28.738 0.005 0.000 1.012 623 Q HN 0.484 nan 8.270 nan 0.000 0.515 624 D N 1.083 121.472 120.400 -0.018 0.000 2.505 624 D HA 0.115 4.757 4.640 0.003 0.000 0.249 624 D C -0.156 176.130 176.300 -0.023 0.000 1.082 624 D CA -0.456 53.532 54.000 -0.021 0.000 0.839 624 D CB 2.089 42.877 40.800 -0.020 0.000 1.317 624 D HN 0.020 nan 8.370 nan 0.000 0.497 625 K N 1.792 122.176 120.400 -0.026 0.000 1.990 625 K HA -0.293 4.029 4.320 0.003 0.000 0.225 625 K C 1.175 177.761 176.600 -0.024 0.000 1.053 625 K CA 2.033 58.302 56.287 -0.030 0.000 0.982 625 K CB 0.183 32.666 32.500 -0.029 0.000 0.734 625 K HN 0.257 nan 8.250 nan 0.000 0.448 626 E N 0.388 120.577 120.200 -0.018 0.000 2.086 626 E HA -0.273 4.079 4.350 0.003 0.000 0.205 626 E C 1.890 178.483 176.600 -0.011 0.000 1.027 626 E CA 1.813 58.205 56.400 -0.014 0.000 0.830 626 E CB -0.673 29.021 29.700 -0.010 0.000 0.751 626 E HN 0.495 nan 8.360 nan 0.000 0.456 627 A N 1.287 124.101 122.820 -0.009 0.000 1.859 627 A HA -0.162 4.160 4.320 0.003 0.000 0.217 627 A C 2.480 180.059 177.584 -0.008 0.000 1.198 627 A CA 2.693 54.728 52.037 -0.004 0.000 0.629 627 A CB -1.292 17.707 19.000 -0.002 0.000 0.830 627 A HN 0.327 nan 8.150 nan 0.000 0.446 628 A N 0.675 123.485 122.820 -0.016 0.000 1.884 628 A HA -0.285 4.037 4.320 0.003 0.000 0.219 628 A C 2.025 179.596 177.584 -0.021 0.000 1.197 628 A CA 2.287 54.310 52.037 -0.023 0.000 0.637 628 A CB -0.871 18.108 19.000 -0.036 0.000 0.827 628 A HN 0.840 nan 8.150 nan 0.000 0.450 629 E N -0.338 119.849 120.200 -0.022 0.000 2.107 629 E HA 0.054 4.406 4.350 0.003 0.000 0.191 629 E C 2.012 178.605 176.600 -0.012 0.000 0.982 629 E CA 0.980 57.368 56.400 -0.019 0.000 0.809 629 E CB -0.470 29.219 29.700 -0.020 0.000 0.756 629 E HN 0.485 nan 8.360 nan 0.000 0.459 630 A N 1.810 124.625 122.820 -0.009 0.000 1.940 630 A HA -0.132 4.190 4.320 0.003 0.000 0.219 630 A C 2.256 179.837 177.584 -0.004 0.000 1.176 630 A CA 1.420 53.453 52.037 -0.006 0.000 0.631 630 A CB -0.654 18.344 19.000 -0.004 0.000 0.814 630 A HN 0.311 nan 8.150 nan 0.000 0.446 631 I N -0.760 119.809 120.570 -0.003 0.000 2.163 631 I HA -0.253 3.919 4.170 0.003 0.000 0.240 631 I C 2.602 178.715 176.117 -0.008 0.000 1.081 631 I CA 1.764 63.063 61.300 -0.002 0.000 1.353 631 I CB -0.488 37.510 38.000 -0.003 0.000 1.054 631 I HN 0.573 nan 8.210 nan 0.000 0.407 632 E N 1.718 121.912 120.200 -0.011 0.000 2.070 632 E HA -0.294 4.058 4.350 0.003 0.000 0.197 632 E C 2.158 178.756 176.600 -0.004 0.000 1.004 632 E CA 1.705 58.100 56.400 -0.010 0.000 0.805 632 E CB -0.100 29.591 29.700 -0.014 0.000 0.744 632 E HN 0.483 nan 8.360 nan 0.000 0.451 633 A N 0.531 123.349 122.820 -0.004 0.000 2.125 633 A HA -0.162 4.160 4.320 0.003 0.000 0.219 633 A C 1.897 179.484 177.584 0.005 0.000 1.156 633 A CA 1.526 53.563 52.037 0.000 0.000 0.671 633 A CB -0.347 18.652 19.000 -0.002 0.000 0.794 633 A HN 0.289 nan 8.150 nan 0.000 0.459 634 E N -0.940 119.261 120.200 0.003 0.000 2.481 634 E HA 0.228 4.579 4.350 0.003 0.000 0.195 634 E C 1.084 177.694 176.600 0.018 0.000 1.047 634 E CA 0.758 57.162 56.400 0.006 0.000 0.867 634 E CB -0.263 29.436 29.700 -0.002 0.000 0.858 634 E HN 0.752 nan 8.360 nan 0.000 0.513 635 G N -0.591 108.219 108.800 0.017 0.000 2.140 635 G HA2 -0.260 3.701 3.960 0.003 0.000 0.211 635 G HA3 -0.260 3.701 3.960 0.003 0.000 0.211 635 G C 0.935 175.845 174.900 0.017 0.000 1.013 635 G CA 0.499 45.620 45.100 0.034 0.000 0.705 635 G HN 0.460 nan 8.290 nan 0.000 0.508 636 A N -0.607 122.202 122.820 -0.018 0.000 2.014 636 A HA 0.254 4.576 4.320 0.003 0.000 0.218 636 A C 2.425 179.987 177.584 -0.037 0.000 1.163 636 A CA 2.504 54.506 52.037 -0.059 0.000 0.652 636 A CB -0.572 18.394 19.000 -0.057 0.000 0.808 636 A HN 0.793 nan 8.150 nan 0.000 0.449 637 T N 0.736 115.284 114.554 -0.009 0.000 2.653 637 T HA -0.194 4.158 4.350 0.003 0.000 0.268 637 T C 2.213 176.922 174.700 0.014 0.000 1.035 637 T CA 1.940 64.041 62.100 0.002 0.000 1.154 637 T CB -0.529 68.344 68.868 0.008 0.000 0.862 637 T HN 0.628 nan 8.240 nan 0.000 0.441 638 A N 2.474 125.317 122.820 0.037 0.000 1.841 638 A HA -0.064 4.258 4.320 0.003 0.000 0.216 638 A C 0.616 178.245 177.584 0.075 0.000 1.199 638 A CA 1.667 53.745 52.037 0.068 0.000 0.621 638 A CB -1.680 17.384 19.000 0.108 0.000 0.835 638 A HN 0.447 nan 8.150 nan 0.000 0.445 639 P HA -0.161 nan 4.420 nan 0.000 0.215 639 P C 1.664 178.955 177.300 -0.015 0.000 1.157 639 P CA 1.233 64.363 63.100 0.049 0.000 0.868 639 P CB -0.274 31.275 31.700 -0.251 0.000 0.788 640 L N -0.655 120.538 121.223 -0.050 0.000 2.012 640 L HA -0.168 4.174 4.340 0.003 0.000 0.210 640 L C 2.752 179.598 176.870 -0.040 0.000 1.073 640 L CA 2.201 57.014 54.840 -0.045 0.000 0.748 640 L CB -1.904 40.132 42.059 -0.039 0.000 0.891 640 L HN 0.043 nan 8.230 nan 0.000 0.431 641 T N -0.725 113.813 114.554 -0.028 0.000 2.624 641 T HA -0.326 4.026 4.350 0.003 0.000 0.268 641 T C 1.794 176.436 174.700 -0.097 0.000 1.041 641 T CA 2.098 64.169 62.100 -0.048 0.000 1.159 641 T CB -0.227 68.636 68.868 -0.008 0.000 0.863 641 T HN 0.408 nan 8.240 nan 0.000 0.434 642 E N 0.244 120.430 120.200 -0.023 0.000 2.204 642 E HA -0.002 4.350 4.350 0.003 0.000 0.194 642 E C 1.822 178.408 176.600 -0.023 0.000 0.989 642 E CA 0.417 56.822 56.400 0.009 0.000 0.824 642 E CB -0.177 29.578 29.700 0.093 0.000 0.756 642 E HN 0.451 nan 8.360 nan 0.000 0.477 643 L N 0.963 122.168 121.223 -0.030 0.000 2.622 643 L HA -0.056 4.285 4.340 0.003 0.000 0.233 643 L C 1.835 178.667 176.870 -0.064 0.000 1.156 643 L CA 0.056 54.882 54.840 -0.024 0.000 0.866 643 L CB -0.042 42.005 42.059 -0.020 0.000 0.980 643 L HN 0.292 nan 8.230 nan 0.000 0.448 644 L N -1.178 119.949 121.223 -0.161 0.000 2.179 644 L HA -0.098 4.244 4.340 0.003 0.000 0.208 644 L C 1.550 178.312 176.870 -0.181 0.000 1.096 644 L CA 0.510 55.222 54.840 -0.214 0.000 0.779 644 L CB -0.325 41.532 42.059 -0.337 0.000 0.922 644 L HN 0.391 nan 8.230 nan 0.000 0.443 645 H N -0.780 118.295 119.070 0.007 0.000 2.645 645 H HA 0.189 4.747 4.556 0.003 0.000 0.300 645 H C 0.561 175.892 175.328 0.005 0.000 1.065 645 H CA -0.085 55.966 56.048 0.006 0.000 1.173 645 H CB 0.059 29.827 29.762 0.010 0.000 1.383 645 H HN 0.033 nan 8.280 nan 0.000 0.566 646 S N 1.149 116.889 115.700 0.068 0.000 2.565 646 S HA 0.111 4.583 4.470 0.003 0.000 0.274 646 S C 1.644 176.264 174.600 0.033 0.000 1.309 646 S CA -0.839 57.388 58.200 0.045 0.000 1.043 646 S CB 0.989 64.200 63.200 0.018 0.000 0.939 646 S HN 0.640 nan 8.310 nan 0.000 0.504 647 R N 3.330 123.847 120.500 0.029 0.000 2.235 647 R HA 0.042 4.383 4.340 0.003 0.000 0.213 647 R C 0.308 176.611 176.300 0.004 0.000 1.059 647 R CA 0.391 56.502 56.100 0.018 0.000 0.997 647 R CB -0.451 29.860 30.300 0.018 0.000 0.884 647 R HN 0.436 nan 8.270 nan 0.000 0.462 648 N N 1.919 120.619 118.700 0.000 0.000 2.406 648 N HA -0.016 4.726 4.740 0.003 0.000 0.251 648 N C 0.360 175.848 175.510 -0.037 0.000 1.069 648 N CA 0.014 53.057 53.050 -0.013 0.000 0.947 648 N CB 1.128 39.613 38.487 -0.004 0.000 1.111 648 N HN 0.139 nan 8.380 nan 0.000 0.497 649 E N 3.193 123.364 120.200 -0.048 0.000 2.035 649 E HA -0.200 4.152 4.350 0.003 0.000 0.204 649 E C 1.646 178.163 176.600 -0.139 0.000 1.025 649 E CA 1.736 58.089 56.400 -0.078 0.000 0.835 649 E CB -0.608 29.049 29.700 -0.073 0.000 0.764 649 E HN 0.827 nan 8.360 nan 0.000 0.457 650 G N 1.199 109.901 108.800 -0.164 0.000 2.476 650 G HA2 -0.280 3.682 3.960 0.003 0.000 0.218 650 G HA3 -0.280 3.682 3.960 0.003 0.000 0.218 650 G C 1.899 176.594 174.900 -0.341 0.000 1.164 650 G CA 1.508 46.416 45.100 -0.321 0.000 0.768 650 G HN 0.204 nan 8.290 nan 0.000 0.560 651 V N 1.648 121.497 119.914 -0.108 0.000 2.252 651 V HA -0.210 3.912 4.120 0.003 0.000 0.249 651 V C 3.367 179.440 176.094 -0.035 0.000 1.056 651 V CA 2.366 64.660 62.300 -0.009 0.000 1.022 651 V CB -1.094 30.734 31.823 0.008 0.000 0.641 651 V HN 0.525 nan 8.190 nan 0.000 0.445 652 A N -0.263 122.518 122.820 -0.065 0.000 1.883 652 A HA -0.254 4.067 4.320 0.003 0.000 0.217 652 A C 2.398 179.933 177.584 -0.081 0.000 1.186 652 A CA 2.700 54.699 52.037 -0.063 0.000 0.624 652 A CB -1.184 17.780 19.000 -0.059 0.000 0.822 652 A HN 0.539 nan 8.150 nan 0.000 0.444 653 T N -0.751 113.713 114.554 -0.150 0.000 2.635 653 T HA -0.230 4.122 4.350 0.003 0.000 0.267 653 T C 1.780 176.429 174.700 -0.085 0.000 1.040 653 T CA 1.973 63.970 62.100 -0.171 0.000 1.156 653 T CB -0.585 68.104 68.868 -0.298 0.000 0.863 653 T HN 0.488 nan 8.240 nan 0.000 0.430 654 Y N 1.739 122.014 120.300 -0.042 0.000 2.128 654 Y HA -0.025 4.526 4.550 0.003 0.000 0.284 654 Y C 2.800 178.667 175.900 -0.054 0.000 1.154 654 Y CA 0.133 58.201 58.100 -0.055 0.000 1.149 654 Y CB -1.434 36.970 38.460 -0.094 0.000 0.976 654 Y HN 0.230 nan 8.280 nan 0.000 0.505 655 A N 0.295 123.175 122.820 0.101 0.000 1.841 655 A HA -0.192 4.130 4.320 0.003 0.000 0.216 655 A C 2.553 180.154 177.584 0.028 0.000 1.199 655 A CA 2.532 54.588 52.037 0.032 0.000 0.621 655 A CB -1.462 17.533 19.000 -0.009 0.000 0.835 655 A HN 0.404 nan 8.150 nan 0.000 0.445 656 A N -0.503 122.321 122.820 0.007 0.000 1.986 656 A HA 0.059 4.381 4.320 0.003 0.000 0.220 656 A C 2.440 180.063 177.584 0.065 0.000 1.171 656 A CA 2.429 54.473 52.037 0.011 0.000 0.640 656 A CB -0.976 18.004 19.000 -0.032 0.000 0.811 656 A HN 1.173 nan 8.150 nan 0.000 0.451 657 A N -0.666 122.200 122.820 0.077 0.000 1.873 657 A HA 0.048 4.370 4.320 0.003 0.000 0.215 657 A C 2.240 179.921 177.584 0.163 0.000 1.186 657 A CA 1.713 53.829 52.037 0.131 0.000 0.616 657 A CB -0.914 18.172 19.000 0.143 0.000 0.823 657 A HN 0.399 nan 8.150 nan 0.000 0.442 658 V N 0.279 120.251 119.914 0.097 0.000 2.261 658 V HA -0.263 3.859 4.120 0.003 0.000 0.246 658 V C 2.548 178.679 176.094 0.062 0.000 1.047 658 V CA 1.938 64.271 62.300 0.056 0.000 1.015 658 V CB -0.975 30.853 31.823 0.008 0.000 0.642 658 V HN 0.565 nan 8.190 nan 0.000 0.446 659 L N -1.141 120.120 121.223 0.063 0.000 2.137 659 L HA -0.261 4.080 4.340 0.003 0.000 0.213 659 L C 2.348 179.279 176.870 0.101 0.000 1.085 659 L CA 1.975 56.850 54.840 0.059 0.000 0.760 659 L CB -0.566 41.524 42.059 0.052 0.000 0.893 659 L HN 0.395 nan 8.230 nan 0.000 0.434 660 F N 0.326 120.270 119.950 -0.010 0.000 2.118 660 F HA -0.078 4.451 4.527 0.003 0.000 0.293 660 F C 2.696 178.493 175.800 -0.006 0.000 1.102 660 F CA 1.039 59.034 58.000 -0.007 0.000 1.247 660 F CB -0.193 38.804 39.000 -0.004 0.000 1.017 660 F HN -0.154 nan 8.300 nan 0.000 0.475 661 R N 0.371 120.896 120.500 0.042 0.000 2.117 661 R HA -0.206 4.136 4.340 0.003 0.000 0.243 661 R C 2.209 178.431 176.300 -0.131 0.000 1.143 661 R CA 1.911 57.968 56.100 -0.071 0.000 0.968 661 R CB -1.202 29.115 30.300 0.028 0.000 0.863 661 R HN 0.418 nan 8.270 nan 0.000 0.444 662 M N 0.139 119.691 119.600 -0.081 0.000 2.059 662 M HA -0.128 4.354 4.480 0.003 0.000 0.259 662 M C 2.194 178.427 176.300 -0.112 0.000 1.072 662 M CA 1.873 57.128 55.300 -0.074 0.000 1.117 662 M CB -0.323 32.253 32.600 -0.039 0.000 1.320 662 M HN 0.006 nan 8.290 nan 0.000 0.408 663 S N -0.338 115.281 115.700 -0.135 0.000 2.453 663 S HA -0.060 4.412 4.470 0.003 0.000 0.231 663 S C 0.699 175.156 174.600 -0.238 0.000 1.005 663 S CA 0.319 58.431 58.200 -0.147 0.000 0.949 663 S CB -0.355 62.785 63.200 -0.100 0.000 0.774 663 S HN 0.294 nan 8.310 nan 0.000 0.510 664 E N 3.592 123.546 120.200 -0.410 0.000 2.168 664 E HA -0.008 4.344 4.350 0.003 0.000 0.254 664 E C -0.202 176.251 176.600 -0.245 0.000 1.228 664 E CA -0.070 56.040 56.400 -0.485 0.000 0.956 664 E CB -0.697 28.557 29.700 -0.743 0.000 1.031 664 E HN 0.218 nan 8.360 nan 0.000 0.441 665 D N 0.000 120.298 120.400 -0.169 0.000 6.856 665 D HA 0.000 4.642 4.640 0.003 0.000 0.175 665 D CA 0.000 53.939 54.000 -0.102 0.000 0.868 665 D CB 0.000 40.757 40.800 -0.071 0.000 0.688 665 D HN 0.000 nan 8.370 nan 0.000 0.683