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 3h8d_1_C DATA FIRST_RESID 1143 DATA SEQUENCE DMKRQQRFFR IPFIRPADQY KDPQNKKKGW WYAHFDGPWI ARQMELHPDK DATA SEQUENCE PPILLVAGKD DMEMCELNLE ETGLTRKRGA EILPRQFEEI WERCGGIQYL DATA SEQUENCE QSAIESRQAR PTYATAMLQN LL 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 1143 D HA 0.000 nan 4.640 nan 0.000 0.175 1143 D C 0.000 176.303 176.300 0.005 0.000 2.045 1143 D CA 0.000 54.009 54.000 0.014 0.000 0.868 1143 D CB 0.000 40.803 40.800 0.006 0.000 0.688 1144 M N 1.291 120.911 119.600 0.034 0.000 2.175 1144 M HA 0.085 4.564 4.480 -0.001 0.000 0.264 1144 M C 2.005 178.218 176.300 -0.144 0.000 1.063 1144 M CA 1.800 57.116 55.300 0.026 0.000 1.119 1144 M CB -0.180 32.523 32.600 0.171 0.000 1.377 1144 M HN 0.048 nan 8.290 nan 0.000 0.415 1145 K N -0.724 119.612 120.400 -0.107 0.000 2.103 1145 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 1145 K C 1.987 178.488 176.600 -0.164 0.000 1.048 1145 K CA 1.368 57.529 56.287 -0.209 0.000 0.930 1145 K CB -0.019 32.477 32.500 -0.008 0.000 0.716 1145 K HN 0.329 nan 8.250 nan 0.000 0.444 1146 R N -0.166 120.281 120.500 -0.088 0.000 2.189 1146 R HA -0.061 4.278 4.340 -0.001 0.000 0.223 1146 R C 1.889 178.146 176.300 -0.071 0.000 1.092 1146 R CA 0.792 56.856 56.100 -0.059 0.000 0.989 1146 R CB 0.079 30.359 30.300 -0.033 0.000 0.876 1146 R HN 0.199 nan 8.270 nan 0.000 0.457 1147 Q N 0.284 120.025 119.800 -0.099 0.000 2.435 1147 Q HA 0.008 4.348 4.340 -0.001 0.000 0.207 1147 Q C -0.010 175.924 176.000 -0.109 0.000 0.956 1147 Q CA 0.734 56.485 55.803 -0.088 0.000 0.917 1147 Q CB 0.333 29.029 28.738 -0.070 0.000 0.997 1147 Q HN 0.224 nan 8.270 nan 0.000 0.497 1148 Q N 1.108 120.804 119.800 -0.173 0.000 2.294 1148 Q HA 0.309 4.648 4.340 -0.001 0.000 0.257 1148 Q C -0.352 175.587 176.000 -0.101 0.000 0.955 1148 Q CA 0.241 55.935 55.803 -0.181 0.000 0.936 1148 Q CB 0.995 29.558 28.738 -0.291 0.000 1.188 1148 Q HN 0.072 nan 8.270 nan 0.000 0.420 1149 R N 2.256 122.652 120.500 -0.174 0.000 2.628 1149 R HA 0.587 4.927 4.340 -0.001 0.000 0.288 1149 R C -0.895 175.215 176.300 -0.317 0.000 0.980 1149 R CA -0.521 55.501 56.100 -0.129 0.000 0.891 1149 R CB 1.514 31.834 30.300 0.034 0.000 1.188 1149 R HN 0.382 nan 8.270 nan 0.000 0.450 1150 F N 2.535 122.284 119.950 -0.336 0.000 2.520 1150 F HA 0.560 5.086 4.527 -0.001 0.000 0.322 1150 F C -0.483 175.039 175.800 -0.463 0.000 1.103 1150 F CA -0.670 57.212 58.000 -0.196 0.000 0.926 1150 F CB 1.392 40.316 39.000 -0.127 0.000 1.154 1150 F HN 0.289 nan 8.300 nan 0.000 0.453 1151 F N 1.408 121.639 119.950 0.469 0.000 2.588 1151 F HA 0.644 5.170 4.527 -0.001 0.000 0.310 1151 F C -0.418 175.645 175.800 0.439 0.000 1.082 1151 F CA -1.028 57.225 58.000 0.423 0.000 0.929 1151 F CB 2.326 41.590 39.000 0.440 0.000 1.254 1151 F HN 0.288 nan 8.300 nan 0.000 0.455 1152 R N 2.811 123.620 120.500 0.515 0.000 2.532 1152 R HA 0.763 5.103 4.340 -0.001 0.000 0.297 1152 R C -2.097 174.414 176.300 0.351 0.000 0.984 1152 R CA -0.510 55.761 56.100 0.284 0.000 0.884 1152 R CB 1.417 31.784 30.300 0.111 0.000 1.182 1152 R HN 0.807 nan 8.270 nan 0.000 0.442 1153 I N 6.313 127.127 120.570 0.407 0.000 2.411 1153 I HA 0.355 4.524 4.170 -0.001 0.000 0.284 1153 I C -2.194 174.078 176.117 0.258 0.000 1.012 1153 I CA -2.535 58.946 61.300 0.302 0.000 1.119 1153 I CB 2.148 40.272 38.000 0.207 0.000 1.261 1153 I HN 0.437 nan 8.210 nan 0.000 0.448 1154 P HA 0.184 nan 4.420 nan 0.000 0.268 1154 P C -1.000 176.247 177.300 -0.088 0.000 1.205 1154 P CA 0.133 63.124 63.100 -0.181 0.000 0.771 1154 P CB 0.328 31.960 31.700 -0.112 0.000 0.858 1155 F N 1.579 121.292 119.950 -0.396 0.000 2.643 1155 F HA 0.793 5.320 4.527 -0.001 0.000 0.314 1155 F C -1.090 174.538 175.800 -0.288 0.000 1.096 1155 F CA -1.604 56.239 58.000 -0.261 0.000 0.953 1155 F CB 0.968 39.867 39.000 -0.169 0.000 1.345 1155 F HN 0.232 nan 8.300 nan 0.000 0.468 1156 I N -0.721 119.826 120.570 -0.038 0.000 3.002 1156 I HA 0.693 4.862 4.170 -0.001 0.000 0.310 1156 I C -0.723 175.462 176.117 0.113 0.000 1.087 1156 I CA -1.464 59.779 61.300 -0.094 0.000 1.017 1156 I CB 2.290 40.211 38.000 -0.132 0.000 1.226 1156 I HN 0.691 nan 8.210 nan 0.000 0.443 1157 R N 2.515 123.060 120.500 0.076 0.000 2.641 1157 R HA 0.268 4.608 4.340 -0.001 0.000 0.269 1157 R C -1.753 174.564 176.300 0.030 0.000 1.074 1157 R CA -1.107 55.050 56.100 0.096 0.000 1.133 1157 R CB 0.103 30.451 30.300 0.080 0.000 1.029 1157 R HN 0.459 nan 8.270 nan 0.000 0.488 1158 P HA -0.219 nan 4.420 nan 0.000 0.216 1158 P C 0.799 178.113 177.300 0.022 0.000 1.150 1158 P CA 1.520 64.626 63.100 0.010 0.000 0.843 1158 P CB 0.094 31.810 31.700 0.027 0.000 0.787 1159 A N -0.312 122.528 122.820 0.034 0.000 2.024 1159 A HA -0.195 4.125 4.320 -0.001 0.000 0.220 1159 A C 1.505 179.110 177.584 0.035 0.000 1.164 1159 A CA 1.982 54.044 52.037 0.043 0.000 0.643 1159 A CB -1.124 17.898 19.000 0.036 0.000 0.806 1159 A HN 0.116 nan 8.150 nan 0.000 0.451 1160 D N -1.534 118.866 120.400 -0.000 0.000 2.363 1160 D HA 0.079 4.718 4.640 -0.001 0.000 0.214 1160 D C 1.573 177.824 176.300 -0.080 0.000 1.093 1160 D CA 0.160 54.145 54.000 -0.024 0.000 0.837 1160 D CB 0.045 40.821 40.800 -0.041 0.000 0.948 1160 D HN 0.639 nan 8.370 nan 0.000 0.507 1161 Q N -0.514 119.200 119.800 -0.143 0.000 2.170 1161 Q HA -0.157 4.182 4.340 -0.001 0.000 0.203 1161 Q C 0.392 176.041 176.000 -0.585 0.000 0.976 1161 Q CA 1.345 56.898 55.803 -0.417 0.000 0.858 1161 Q CB 0.143 28.514 28.738 -0.611 0.000 0.907 1161 Q HN 0.369 nan 8.270 nan 0.000 0.433 1162 Y N -0.481 119.816 120.300 -0.005 0.000 2.612 1162 Y HA 0.341 4.891 4.550 -0.001 0.000 0.250 1162 Y C -0.153 175.744 175.900 -0.005 0.000 1.175 1162 Y CA -0.517 57.580 58.100 -0.004 0.000 1.205 1162 Y CB 0.639 39.097 38.460 -0.003 0.000 1.201 1162 Y HN -0.170 nan 8.280 nan 0.000 0.532 1163 K N 1.091 121.533 120.400 0.069 0.000 2.138 1163 K HA 0.013 4.333 4.320 -0.001 0.000 0.251 1163 K C 0.096 176.711 176.600 0.024 0.000 1.015 1163 K CA -0.507 55.806 56.287 0.044 0.000 0.917 1163 K CB 0.362 32.874 32.500 0.021 0.000 1.021 1163 K HN 0.056 nan 8.250 nan 0.000 0.485 1164 D N 1.666 122.079 120.400 0.022 0.000 2.488 1164 D HA -0.039 4.600 4.640 -0.001 0.000 0.238 1164 D C -1.667 174.634 176.300 0.001 0.000 1.138 1164 D CA -1.258 52.751 54.000 0.014 0.000 0.873 1164 D CB 0.998 41.807 40.800 0.014 0.000 1.183 1164 D HN 0.169 nan 8.370 nan 0.000 0.458 1165 P HA -0.207 nan 4.420 nan 0.000 0.219 1165 P C 0.948 178.242 177.300 -0.009 0.000 1.153 1165 P CA 1.542 64.636 63.100 -0.010 0.000 0.865 1165 P CB 0.162 31.860 31.700 -0.002 0.000 0.788 1166 Q N -2.133 117.667 119.800 -0.001 0.000 2.435 1166 Q HA -0.032 4.308 4.340 -0.001 0.000 0.207 1166 Q C 0.909 176.908 176.000 -0.002 0.000 0.956 1166 Q CA 0.644 56.448 55.803 0.002 0.000 0.917 1166 Q CB -0.323 28.419 28.738 0.007 0.000 0.997 1166 Q HN 0.290 nan 8.270 nan 0.000 0.497 1167 N N 0.031 118.728 118.700 -0.006 0.000 2.203 1167 N HA 0.057 4.797 4.740 -0.001 0.000 0.207 1167 N C -0.832 174.665 175.510 -0.022 0.000 1.130 1167 N CA 0.153 53.198 53.050 -0.007 0.000 0.861 1167 N CB 0.650 39.138 38.487 0.001 0.000 1.005 1167 N HN -0.053 nan 8.380 nan 0.000 0.507 1168 K N 1.454 121.832 120.400 -0.037 0.000 2.220 1168 K HA 0.131 4.451 4.320 -0.001 0.000 0.283 1168 K C -0.402 176.142 176.600 -0.094 0.000 1.098 1168 K CA -0.255 55.991 56.287 -0.068 0.000 0.928 1168 K CB 0.468 32.919 32.500 -0.082 0.000 1.214 1168 K HN -0.200 nan 8.250 nan 0.000 0.442 1169 K N 3.528 123.872 120.400 -0.094 0.000 2.228 1169 K HA 0.072 4.391 4.320 -0.001 0.000 0.284 1169 K C 0.036 176.487 176.600 -0.248 0.000 1.088 1169 K CA 0.086 56.304 56.287 -0.116 0.000 0.941 1169 K CB 0.258 32.720 32.500 -0.064 0.000 1.158 1169 K HN 0.330 nan 8.250 nan 0.000 0.438 1170 K N 0.755 120.938 120.400 -0.361 0.000 2.295 1170 K HA 0.256 4.575 4.320 -0.001 0.000 0.270 1170 K C 0.513 176.468 176.600 -1.075 0.000 1.011 1170 K CA -0.051 55.782 56.287 -0.757 0.000 0.953 1170 K CB 0.786 32.778 32.500 -0.848 0.000 0.956 1170 K HN 0.701 nan 8.250 nan 0.000 0.477 1171 G N 1.768 109.634 108.800 -1.556 0.000 2.788 1171 G HA2 0.577 4.537 3.960 -0.001 0.000 0.293 1171 G HA3 0.577 4.537 3.960 -0.001 0.000 0.293 1171 G C -1.657 172.259 174.900 -1.640 0.000 1.305 1171 G CA -0.672 43.511 45.100 -1.528 0.000 1.005 1171 G HN 0.550 nan 8.290 nan 0.000 0.496 1172 W N -0.388 120.726 121.300 -0.310 0.000 3.042 1172 W HA 0.355 5.014 4.660 -0.001 0.000 0.337 1172 W C -1.713 174.934 176.519 0.212 0.000 1.086 1172 W CA -1.484 55.837 57.345 -0.041 0.000 1.236 1172 W CB 2.292 31.632 29.460 -0.200 0.000 1.381 1172 W HN 0.640 nan 8.180 nan 0.000 0.472 1173 W N 4.474 125.902 121.300 0.212 0.000 2.520 1173 W HA 0.587 5.247 4.660 -0.001 0.000 0.323 1173 W C -1.626 174.911 176.519 0.030 0.000 1.062 1173 W CA -0.521 56.930 57.345 0.177 0.000 1.215 1173 W CB 0.853 30.368 29.460 0.092 0.000 1.340 1173 W HN 0.256 nan 8.180 nan 0.000 0.516 1174 Y N 3.997 124.084 120.300 -0.355 0.000 2.477 1174 Y HA 0.751 5.300 4.550 -0.001 0.000 0.347 1174 Y C 0.090 175.673 175.900 -0.529 0.000 0.981 1174 Y CA -1.315 56.664 58.100 -0.201 0.000 1.033 1174 Y CB 2.146 40.567 38.460 -0.064 0.000 1.245 1174 Y HN 0.546 nan 8.280 nan 0.000 0.455 1175 A N 1.783 124.627 122.820 0.040 0.000 2.449 1175 A HA 0.493 4.812 4.320 -0.001 0.000 0.302 1175 A C -1.963 175.686 177.584 0.109 0.000 1.048 1175 A CA -0.652 51.381 52.037 -0.006 0.000 0.708 1175 A CB 1.101 20.026 19.000 -0.124 0.000 1.274 1175 A HN 0.926 nan 8.150 nan 0.000 0.410 1176 H N 2.430 121.208 119.070 -0.487 0.000 2.595 1176 H HA 0.572 5.127 4.556 -0.001 0.000 0.313 1176 H C -1.732 173.204 175.328 -0.654 0.000 1.023 1176 H CA -0.574 54.915 56.048 -0.931 0.000 1.218 1176 H CB 0.418 29.357 29.762 -1.372 0.000 1.403 1176 H HN 0.465 nan 8.280 nan 0.000 0.477 1177 F N 3.541 123.241 119.950 -0.417 0.000 2.411 1177 F HA 0.076 4.603 4.527 0.000 0.000 0.350 1177 F C 0.496 176.050 175.800 -0.409 0.000 1.114 1177 F CA -0.548 57.260 58.000 -0.320 0.000 1.135 1177 F CB 1.098 40.057 39.000 -0.068 0.000 1.120 1177 F HN 0.597 nan 8.300 nan 0.000 0.495 1178 D N 3.366 123.612 120.400 -0.257 0.000 2.467 1178 D HA 0.422 5.062 4.640 -0.001 0.000 0.220 1178 D C 0.721 177.037 176.300 0.026 0.000 1.103 1178 D CA 0.680 54.602 54.000 -0.129 0.000 0.886 1178 D CB 0.351 41.075 40.800 -0.125 0.000 1.025 1178 D HN 0.755 nan 8.370 nan 0.000 0.514 1179 G N 5.294 114.095 108.800 0.001 0.000 2.591 1179 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.298 1179 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.298 1179 G C -1.389 173.481 174.900 -0.049 0.000 1.195 1179 G CA 0.135 45.220 45.100 -0.026 0.000 0.989 1179 G HN 0.508 nan 8.290 nan 0.000 0.551 1180 P HA 0.158 nan 4.420 nan 0.000 0.231 1180 P C 0.241 177.408 177.300 -0.222 0.000 1.168 1180 P CA 1.063 63.907 63.100 -0.428 0.000 0.779 1180 P CB 0.187 31.290 31.700 -0.995 0.000 0.844 1181 W N 0.150 121.536 121.300 0.143 0.000 2.606 1181 W HA 0.396 5.057 4.660 0.001 0.000 0.332 1181 W C 0.141 176.568 176.519 -0.153 0.000 1.052 1181 W CA -1.046 56.330 57.345 0.052 0.000 1.223 1181 W CB 0.905 30.355 29.460 -0.017 0.000 1.383 1181 W HN -0.299 nan 8.180 nan 0.000 0.524 1182 I N 3.205 123.670 120.570 -0.176 0.000 2.587 1182 I HA -0.053 4.117 4.170 -0.001 0.000 0.284 1182 I C 1.102 177.010 176.117 -0.349 0.000 1.134 1182 I CA 0.387 61.319 61.300 -0.614 0.000 1.410 1182 I CB 0.644 38.296 38.000 -0.579 0.000 1.392 1182 I HN 0.563 nan 8.210 nan 0.000 0.545 1183 A N 7.602 130.111 122.820 -0.519 0.000 1.901 1183 A HA 0.192 4.512 4.320 -0.001 0.000 0.210 1183 A C 0.993 178.416 177.584 -0.269 0.000 1.208 1183 A CA 0.630 52.420 52.037 -0.412 0.000 0.644 1183 A CB 0.266 18.857 19.000 -0.683 0.000 0.863 1183 A HN 0.711 nan 8.150 nan 0.000 0.454 1184 R N -0.756 119.547 120.500 -0.329 0.000 2.686 1184 R HA 0.561 4.901 4.340 -0.001 0.000 0.283 1184 R C -1.046 175.234 176.300 -0.033 0.000 0.978 1184 R CA -0.413 55.598 56.100 -0.149 0.000 0.897 1184 R CB 1.831 31.910 30.300 -0.369 0.000 1.192 1184 R HN 0.446 nan 8.270 nan 0.000 0.457 1185 Q N 3.051 122.909 119.800 0.097 0.000 2.375 1185 Q HA 0.620 4.959 4.340 -0.001 0.000 0.271 1185 Q C -1.549 174.553 176.000 0.170 0.000 1.074 1185 Q CA -0.764 55.070 55.803 0.052 0.000 0.808 1185 Q CB 2.540 31.264 28.738 -0.024 0.000 1.327 1185 Q HN 0.605 nan 8.270 nan 0.000 0.441 1186 M N 2.575 122.208 119.600 0.054 0.000 2.371 1186 M HA 0.443 4.923 4.480 -0.001 0.000 0.287 1186 M C -2.105 174.281 176.300 0.142 0.000 1.149 1186 M CA -0.207 55.154 55.300 0.101 0.000 0.929 1186 M CB 2.310 34.895 32.600 -0.025 0.000 1.683 1186 M HN 0.653 nan 8.290 nan 0.000 0.470 1187 E N 4.087 124.399 120.200 0.186 0.000 2.281 1187 E HA 0.386 4.735 4.350 -0.001 0.000 0.266 1187 E C -1.748 174.973 176.600 0.203 0.000 0.893 1187 E CA -0.810 55.737 56.400 0.246 0.000 0.798 1187 E CB 2.345 32.198 29.700 0.255 0.000 1.245 1187 E HN 0.463 nan 8.360 nan 0.000 0.410 1188 L N 3.863 125.248 121.223 0.270 0.000 2.290 1188 L HA 0.265 4.604 4.340 -0.001 0.000 0.284 1188 L C -0.184 176.715 176.870 0.048 0.000 1.078 1188 L CA -0.006 54.974 54.840 0.233 0.000 0.815 1188 L CB 0.174 42.480 42.059 0.412 0.000 1.162 1188 L HN 0.511 nan 8.230 nan 0.000 0.435 1189 H N 4.739 123.943 119.070 0.223 0.000 2.569 1189 H HA 0.356 4.911 4.556 -0.001 0.000 0.357 1189 H C -1.610 173.760 175.328 0.070 0.000 1.153 1189 H CA -1.487 54.659 56.048 0.164 0.000 1.193 1189 H CB 1.903 31.789 29.762 0.206 0.000 1.602 1189 H HN 0.413 nan 8.280 nan 0.000 0.523 1190 P HA -0.045 nan 4.420 nan 0.000 0.233 1190 P C 0.264 177.611 177.300 0.079 0.000 1.167 1190 P CA 0.925 64.056 63.100 0.052 0.000 0.770 1190 P CB 0.495 32.174 31.700 -0.035 0.000 0.837 1191 D N -1.215 119.253 120.400 0.113 0.000 2.538 1191 D HA 0.079 4.719 4.640 -0.001 0.000 0.241 1191 D C 0.338 176.675 176.300 0.061 0.000 1.297 1191 D CA -0.122 53.922 54.000 0.073 0.000 0.804 1191 D CB 0.146 40.979 40.800 0.056 0.000 1.122 1191 D HN 0.278 nan 8.370 nan 0.000 0.519 1192 K N -0.965 119.488 120.400 0.087 0.000 2.507 1192 K HA 0.686 5.005 4.320 -0.001 0.000 0.284 1192 K C -3.158 173.493 176.600 0.086 0.000 1.038 1192 K CA -1.655 54.662 56.287 0.050 0.000 0.903 1192 K CB 0.262 32.750 32.500 -0.020 0.000 1.531 1192 K HN -0.325 nan 8.250 nan 0.000 0.430 1193 P HA 0.233 nan 4.420 nan 0.000 0.269 1193 P C -2.551 174.816 177.300 0.112 0.000 1.215 1193 P CA -0.899 62.237 63.100 0.061 0.000 0.780 1193 P CB -0.325 31.392 31.700 0.027 0.000 0.898 1194 P HA 0.146 nan 4.420 nan 0.000 0.268 1194 P C -0.458 176.881 177.300 0.065 0.000 1.205 1194 P CA 0.373 63.539 63.100 0.110 0.000 0.771 1194 P CB 0.302 32.010 31.700 0.013 0.000 0.858 1195 I N 3.392 124.038 120.570 0.127 0.000 2.321 1195 I HA 0.261 4.430 4.170 -0.001 0.000 0.291 1195 I C -0.026 176.071 176.117 -0.034 0.000 0.998 1195 I CA -0.378 60.959 61.300 0.061 0.000 1.227 1195 I CB 0.471 38.573 38.000 0.170 0.000 1.368 1195 I HN 0.056 nan 8.210 nan 0.000 0.466 1196 L N 7.793 128.885 121.223 -0.219 0.000 2.333 1196 L HA 0.628 4.967 4.340 -0.001 0.000 0.280 1196 L C -0.804 175.896 176.870 -0.284 0.000 1.004 1196 L CA -0.597 54.037 54.840 -0.344 0.000 0.820 1196 L CB 1.575 43.104 42.059 -0.884 0.000 1.247 1196 L HN 0.440 nan 8.230 nan 0.000 0.416 1197 L N 4.603 125.897 121.223 0.118 0.000 2.436 1197 L HA 0.701 5.041 4.340 -0.001 0.000 0.268 1197 L C -0.496 176.592 176.870 0.363 0.000 0.974 1197 L CA -0.971 54.011 54.840 0.237 0.000 0.826 1197 L CB 2.302 44.458 42.059 0.162 0.000 1.291 1197 L HN 0.373 nan 8.230 nan 0.000 0.406 1198 V N -0.066 120.091 119.914 0.405 0.000 2.769 1198 V HA 0.899 5.018 4.120 -0.001 0.000 0.312 1198 V C 0.390 176.568 176.094 0.140 0.000 1.061 1198 V CA -0.783 61.688 62.300 0.286 0.000 0.931 1198 V CB 1.688 33.724 31.823 0.355 0.000 1.010 1198 V HN 0.849 nan 8.190 nan 0.000 0.433 1199 A N 2.702 125.555 122.820 0.054 0.000 2.531 1199 A HA 0.561 4.881 4.320 -0.001 0.000 0.236 1199 A C 1.556 179.143 177.584 0.006 0.000 1.062 1199 A CA 0.981 53.019 52.037 0.002 0.000 0.760 1199 A CB -0.628 18.345 19.000 -0.046 0.000 0.995 1199 A HN 2.877 nan 8.150 nan 0.000 0.501 1200 G N 1.486 110.279 108.800 -0.013 0.000 4.890 1200 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.221 1200 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.221 1200 G C 1.448 176.351 174.900 0.005 0.000 1.472 1200 G CA 0.962 46.052 45.100 -0.018 0.000 0.962 1200 G HN 1.003 nan 8.290 nan 0.000 0.671 1201 K N 0.590 121.004 120.400 0.022 0.000 2.032 1201 K HA -0.092 4.227 4.320 -0.001 0.000 0.209 1201 K C 0.768 177.406 176.600 0.064 0.000 1.048 1201 K CA 1.938 58.245 56.287 0.034 0.000 0.927 1201 K CB -0.147 32.369 32.500 0.026 0.000 0.712 1201 K HN 0.440 nan 8.250 nan 0.000 0.441 1202 D N 0.753 121.210 120.400 0.095 0.000 2.559 1202 D HA 0.023 4.662 4.640 -0.001 0.000 0.234 1202 D C 0.117 176.464 176.300 0.079 0.000 1.226 1202 D CA -0.039 54.028 54.000 0.112 0.000 0.830 1202 D CB 0.691 41.598 40.800 0.178 0.000 1.028 1202 D HN 0.166 nan 8.370 nan 0.000 0.492 1203 D N 0.708 121.138 120.400 0.049 0.000 2.123 1203 D HA -0.145 4.494 4.640 -0.001 0.000 0.196 1203 D C 2.007 178.333 176.300 0.044 0.000 0.992 1203 D CA 0.984 55.004 54.000 0.033 0.000 0.833 1203 D CB 0.098 40.902 40.800 0.006 0.000 0.954 1203 D HN 0.287 nan 8.370 nan 0.000 0.455 1204 M N 0.207 119.833 119.600 0.044 0.000 2.159 1204 M HA -0.115 4.365 4.480 -0.001 0.000 0.263 1204 M C 1.809 178.144 176.300 0.058 0.000 1.063 1204 M CA 1.100 56.427 55.300 0.045 0.000 1.110 1204 M CB 0.079 32.702 32.600 0.039 0.000 1.374 1204 M HN -0.126 nan 8.290 nan 0.000 0.411 1205 E N 0.055 120.298 120.200 0.071 0.000 2.230 1205 E HA 0.088 4.438 4.350 -0.001 0.000 0.192 1205 E C 0.679 177.342 176.600 0.105 0.000 0.987 1205 E CA 0.498 56.950 56.400 0.085 0.000 0.841 1205 E CB -0.003 29.753 29.700 0.093 0.000 0.783 1205 E HN 0.522 nan 8.360 nan 0.000 0.481 1206 M N -0.009 119.652 119.600 0.102 0.000 2.202 1206 M HA 0.066 4.545 4.480 -0.001 0.000 0.316 1206 M C 0.610 176.990 176.300 0.133 0.000 1.138 1206 M CA -0.475 54.896 55.300 0.119 0.000 1.151 1206 M CB 0.844 33.493 32.600 0.082 0.000 1.422 1206 M HN -0.069 nan 8.290 nan 0.000 0.471 1207 C N 2.447 121.859 119.300 0.186 0.000 2.596 1207 C HA -0.022 4.437 4.460 -0.001 0.000 0.414 1207 C C 1.665 176.741 174.990 0.143 0.000 1.396 1207 C CA 0.027 59.159 59.018 0.189 0.000 1.698 1207 C CB -0.775 27.147 27.740 0.304 0.000 2.572 1207 C HN 1.014 nan 8.230 nan 0.000 0.604 1208 E N 4.454 124.725 120.200 0.119 0.000 2.385 1208 E HA 0.056 4.406 4.350 -0.001 0.000 0.194 1208 E C -0.010 176.673 176.600 0.139 0.000 1.013 1208 E CA 0.132 56.601 56.400 0.114 0.000 0.866 1208 E CB -0.041 29.709 29.700 0.083 0.000 0.832 1208 E HN 0.766 nan 8.360 nan 0.000 0.500 1209 L N 2.844 124.150 121.223 0.138 0.000 2.439 1209 L HA 0.159 4.499 4.340 -0.001 0.000 0.269 1209 L C 0.523 177.512 176.870 0.199 0.000 1.179 1209 L CA -0.571 54.348 54.840 0.131 0.000 0.828 1209 L CB 0.160 42.272 42.059 0.087 0.000 1.106 1209 L HN 0.185 nan 8.230 nan 0.000 0.467 1210 N N 1.151 119.927 118.700 0.127 0.000 2.408 1210 N HA 0.129 4.869 4.740 -0.001 0.000 0.260 1210 N C 0.810 176.328 175.510 0.014 0.000 1.242 1210 N CA -0.708 52.395 53.050 0.089 0.000 0.959 1210 N CB 0.750 39.156 38.487 -0.136 0.000 1.201 1210 N HN 0.527 nan 8.380 nan 0.000 0.511 1211 L N 0.141 121.275 121.223 -0.148 0.000 2.013 1211 L HA -0.173 4.167 4.340 -0.001 0.000 0.212 1211 L C 1.967 178.587 176.870 -0.417 0.000 1.073 1211 L CA 1.892 56.345 54.840 -0.645 0.000 0.753 1211 L CB -1.023 40.568 42.059 -0.781 0.000 0.890 1211 L HN 0.680 nan 8.230 nan 0.000 0.432 1212 E N -0.137 119.900 120.200 -0.272 0.000 2.110 1212 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 1212 E C 2.155 178.662 176.600 -0.155 0.000 0.988 1212 E CA 1.354 57.635 56.400 -0.199 0.000 0.804 1212 E CB -0.196 29.411 29.700 -0.156 0.000 0.745 1212 E HN 0.663 nan 8.360 nan 0.000 0.458 1213 E N -0.004 120.121 120.200 -0.123 0.000 2.265 1213 E HA -0.126 4.223 4.350 -0.001 0.000 0.196 1213 E C 2.040 178.588 176.600 -0.086 0.000 0.996 1213 E CA 1.547 57.900 56.400 -0.080 0.000 0.832 1213 E CB -0.047 29.630 29.700 -0.038 0.000 0.756 1213 E HN 0.353 nan 8.360 nan 0.000 0.491 1214 T N -3.162 111.319 114.554 -0.122 0.000 2.896 1214 T HA 0.041 4.391 4.350 -0.001 0.000 0.263 1214 T C 1.724 176.326 174.700 -0.164 0.000 1.050 1214 T CA 0.686 62.706 62.100 -0.132 0.000 1.140 1214 T CB -0.080 68.700 68.868 -0.147 0.000 0.877 1214 T HN 0.245 nan 8.240 nan 0.000 0.457 1215 G N 1.077 109.762 108.800 -0.192 0.000 2.160 1215 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.251 1215 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.251 1215 G C 0.615 175.400 174.900 -0.192 0.000 1.008 1215 G CA 0.466 45.468 45.100 -0.163 0.000 0.724 1215 G HN 0.557 nan 8.290 nan 0.000 0.514 1216 L N 0.344 121.365 121.223 -0.337 0.000 2.156 1216 L HA 0.001 4.340 4.340 -0.001 0.000 0.208 1216 L C 3.115 179.837 176.870 -0.247 0.000 1.095 1216 L CA 1.992 56.571 54.840 -0.436 0.000 0.770 1216 L CB -0.514 40.938 42.059 -1.012 0.000 0.914 1216 L HN 0.518 nan 8.230 nan 0.000 0.439 1217 T N -3.072 111.353 114.554 -0.214 0.000 3.098 1217 T HA -0.135 4.215 4.350 -0.001 0.000 0.266 1217 T C 1.656 176.383 174.700 0.045 0.000 1.145 1217 T CA 0.764 62.900 62.100 0.059 0.000 1.092 1217 T CB -0.179 68.692 68.868 0.005 0.000 0.908 1217 T HN 0.311 nan 8.240 nan 0.000 0.526 1218 R N -0.309 120.184 120.500 -0.010 0.000 2.476 1218 R HA 0.294 4.634 4.340 -0.001 0.000 0.276 1218 R C 0.258 176.564 176.300 0.009 0.000 0.941 1218 R CA -0.344 55.754 56.100 -0.003 0.000 1.088 1218 R CB 0.504 30.785 30.300 -0.031 0.000 1.216 1218 R HN 0.074 nan 8.270 nan 0.000 0.533 1219 K N 2.122 122.537 120.400 0.026 0.000 2.253 1219 K HA 0.198 4.517 4.320 -0.001 0.000 0.277 1219 K C -0.489 176.160 176.600 0.081 0.000 1.053 1219 K CA -0.455 55.855 56.287 0.039 0.000 0.892 1219 K CB 1.029 33.545 32.500 0.027 0.000 1.102 1219 K HN -0.002 nan 8.250 nan 0.000 0.469 1220 R N 1.463 121.999 120.500 0.060 0.000 2.502 1220 R HA -0.021 4.319 4.340 -0.001 0.000 0.292 1220 R C 0.773 177.124 176.300 0.085 0.000 0.998 1220 R CA 1.648 57.787 56.100 0.065 0.000 1.056 1220 R CB 0.017 30.343 30.300 0.044 0.000 0.939 1220 R HN 0.973 nan 8.270 nan 0.000 0.411 1221 G N 2.379 111.236 108.800 0.096 0.000 2.184 1221 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.264 1221 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.264 1221 G C 0.737 175.727 174.900 0.151 0.000 0.975 1221 G CA 0.549 45.713 45.100 0.105 0.000 0.642 1221 G HN 0.759 nan 8.290 nan 0.000 0.536 1222 A N -0.109 122.833 122.820 0.203 0.000 1.930 1222 A HA 0.397 4.717 4.320 -0.001 0.000 0.215 1222 A C 1.136 178.951 177.584 0.385 0.000 1.176 1222 A CA 1.663 53.890 52.037 0.316 0.000 0.632 1222 A CB -0.087 19.124 19.000 0.352 0.000 0.819 1222 A HN 0.695 nan 8.150 nan 0.000 0.445 1223 E N 0.240 120.605 120.200 0.276 0.000 2.373 1223 E HA 0.427 4.776 4.350 -0.001 0.000 0.267 1223 E C -0.474 176.126 176.600 -0.001 0.000 1.032 1223 E CA -0.241 56.140 56.400 -0.031 0.000 0.889 1223 E CB 0.382 30.006 29.700 -0.127 0.000 0.984 1223 E HN 0.538 nan 8.360 nan 0.000 0.425 1224 I N 0.541 121.088 120.570 -0.038 0.000 3.002 1224 I HA 0.410 4.580 4.170 -0.001 0.000 0.310 1224 I C -0.763 175.341 176.117 -0.022 0.000 1.087 1224 I CA -1.343 59.976 61.300 0.031 0.000 1.017 1224 I CB 1.245 39.328 38.000 0.139 0.000 1.226 1224 I HN 0.360 nan 8.210 nan 0.000 0.443 1225 L N 2.808 123.998 121.223 -0.057 0.000 2.452 1225 L HA 0.281 4.620 4.340 -0.001 0.000 0.267 1225 L C -1.487 175.173 176.870 -0.349 0.000 1.188 1225 L CA -1.166 53.589 54.840 -0.142 0.000 0.821 1225 L CB 0.288 42.283 42.059 -0.106 0.000 1.102 1225 L HN 0.472 nan 8.230 nan 0.000 0.470 1226 P HA -0.197 nan 4.420 nan 0.000 0.216 1226 P C 1.367 178.296 177.300 -0.618 0.000 1.154 1226 P CA 1.070 63.455 63.100 -1.192 0.000 0.865 1226 P CB 0.131 31.382 31.700 -0.747 0.000 0.789 1227 R N 0.033 120.345 120.500 -0.314 0.000 2.120 1227 R HA -0.116 4.224 4.340 -0.001 0.000 0.234 1227 R C 2.279 178.510 176.300 -0.114 0.000 1.123 1227 R CA 1.623 57.623 56.100 -0.166 0.000 0.975 1227 R CB -1.268 28.964 30.300 -0.114 0.000 0.866 1227 R HN 0.295 nan 8.270 nan 0.000 0.446 1228 Q N -1.580 118.158 119.800 -0.103 0.000 2.124 1228 Q HA -0.158 4.182 4.340 -0.001 0.000 0.202 1228 Q C 1.798 177.801 176.000 0.005 0.000 0.977 1228 Q CA 1.676 57.461 55.803 -0.031 0.000 0.850 1228 Q CB -0.202 28.547 28.738 0.017 0.000 0.901 1228 Q HN 0.350 nan 8.270 nan 0.000 0.429 1229 F N 1.511 121.367 119.950 -0.156 0.000 2.098 1229 F HA -0.144 4.382 4.527 -0.001 0.000 0.294 1229 F C 2.150 177.870 175.800 -0.133 0.000 1.107 1229 F CA 1.007 58.934 58.000 -0.122 0.000 1.234 1229 F CB 0.242 39.234 39.000 -0.014 0.000 1.002 1229 F HN -0.058 nan 8.300 nan 0.000 0.472 1230 E N 0.562 120.841 120.200 0.132 0.000 2.085 1230 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 1230 E C 2.095 178.735 176.600 0.066 0.000 0.994 1230 E CA 1.355 57.842 56.400 0.144 0.000 0.801 1230 E CB -0.605 29.119 29.700 0.041 0.000 0.743 1230 E HN 0.608 nan 8.360 nan 0.000 0.453 1231 E N 0.122 120.303 120.200 -0.031 0.000 2.058 1231 E HA -0.177 4.173 4.350 -0.001 0.000 0.194 1231 E C 2.054 178.588 176.600 -0.111 0.000 0.997 1231 E CA 0.863 57.224 56.400 -0.065 0.000 0.801 1231 E CB 0.035 29.683 29.700 -0.086 0.000 0.746 1231 E HN 0.167 nan 8.360 nan 0.000 0.450 1232 I N 0.279 120.724 120.570 -0.209 0.000 2.286 1232 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 1232 I C 2.288 178.248 176.117 -0.262 0.000 1.104 1232 I CA 0.894 62.005 61.300 -0.315 0.000 1.397 1232 I CB -1.454 36.181 38.000 -0.608 0.000 1.072 1232 I HN 0.432 nan 8.210 nan 0.000 0.417 1233 W N 2.755 123.786 121.300 -0.448 0.000 2.335 1233 W HA -0.245 4.414 4.660 -0.001 0.000 0.311 1233 W C 2.217 178.649 176.519 -0.145 0.000 1.213 1233 W CA 1.801 58.962 57.345 -0.306 0.000 1.274 1233 W CB -0.041 29.328 29.460 -0.153 0.000 1.148 1233 W HN 0.253 nan 8.180 nan 0.000 0.498 1234 E N -0.134 120.064 120.200 -0.003 0.000 2.031 1234 E HA -0.231 4.119 4.350 -0.001 0.000 0.193 1234 E C 2.235 178.753 176.600 -0.137 0.000 0.994 1234 E CA 1.433 57.793 56.400 -0.066 0.000 0.800 1234 E CB -0.429 29.276 29.700 0.009 0.000 0.752 1234 E HN 0.198 nan 8.360 nan 0.000 0.447 1235 R N -0.166 120.256 120.500 -0.129 0.000 2.241 1235 R HA -0.052 4.287 4.340 -0.001 0.000 0.224 1235 R C 1.842 178.050 176.300 -0.153 0.000 1.101 1235 R CA 0.644 56.669 56.100 -0.125 0.000 0.995 1235 R CB -0.176 30.056 30.300 -0.114 0.000 0.870 1235 R HN 0.267 nan 8.270 nan 0.000 0.463 1236 C N -0.506 118.659 119.300 -0.224 0.000 2.618 1236 C HA 0.209 4.668 4.460 -0.001 0.000 0.264 1236 C C 1.435 176.257 174.990 -0.281 0.000 1.334 1236 C CA 0.487 59.354 59.018 -0.253 0.000 1.731 1236 C CB -0.431 27.114 27.740 -0.326 0.000 1.852 1236 C HN 0.775 nan 8.230 nan 0.000 0.566 1237 G N 0.438 109.072 108.800 -0.277 0.000 2.142 1237 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.225 1237 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.225 1237 G C 0.840 175.523 174.900 -0.363 0.000 1.015 1237 G CA 0.419 45.376 45.100 -0.238 0.000 0.716 1237 G HN 0.550 nan 8.290 nan 0.000 0.508 1238 G N 0.097 108.468 108.800 -0.716 0.000 2.422 1238 G HA2 0.034 3.993 3.960 -0.001 0.000 0.218 1238 G HA3 0.034 3.993 3.960 -0.001 0.000 0.218 1238 G C 1.778 176.411 174.900 -0.444 0.000 1.140 1238 G CA 1.213 45.500 45.100 -1.355 0.000 0.775 1238 G HN 0.603 nan 8.290 nan 0.000 0.545 1239 I N 0.057 120.531 120.570 -0.160 0.000 2.179 1239 I HA -0.222 3.947 4.170 -0.001 0.000 0.242 1239 I C 2.852 179.010 176.117 0.069 0.000 1.088 1239 I CA 1.435 62.797 61.300 0.103 0.000 1.357 1239 I CB -0.269 37.784 38.000 0.089 0.000 1.051 1239 I HN 0.264 nan 8.210 nan 0.000 0.409 1240 Q N 0.254 120.055 119.800 0.003 0.000 2.050 1240 Q HA -0.276 4.064 4.340 -0.001 0.000 0.202 1240 Q C 2.350 178.369 176.000 0.032 0.000 0.980 1240 Q CA 1.870 57.679 55.803 0.009 0.000 0.840 1240 Q CB -0.251 28.480 28.738 -0.011 0.000 0.898 1240 Q HN 0.469 nan 8.270 nan 0.000 0.424 1241 Y N 0.623 120.864 120.300 -0.098 0.000 2.081 1241 Y HA -0.312 4.238 4.550 0.000 0.000 0.280 1241 Y C 2.013 177.942 175.900 0.048 0.000 1.163 1241 Y CA 1.867 59.928 58.100 -0.064 0.000 1.135 1241 Y CB -0.369 37.985 38.460 -0.176 0.000 0.970 1241 Y HN 0.260 nan 8.280 nan 0.000 0.498 1242 L N 0.611 121.976 121.223 0.236 0.000 2.093 1242 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 1242 L C 2.493 179.409 176.870 0.077 0.000 1.085 1242 L CA 2.043 57.022 54.840 0.233 0.000 0.755 1242 L CB -1.134 41.191 42.059 0.445 0.000 0.904 1242 L HN 0.443 nan 8.230 nan 0.000 0.435 1243 Q N -1.108 118.731 119.800 0.065 0.000 2.096 1243 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 1243 Q C 2.082 178.069 176.000 -0.021 0.000 0.982 1243 Q CA 2.164 57.982 55.803 0.025 0.000 0.850 1243 Q CB -0.006 28.748 28.738 0.026 0.000 0.901 1243 Q HN 0.600 nan 8.270 nan 0.000 0.422 1244 S N 0.413 116.076 115.700 -0.061 0.000 2.368 1244 S HA -0.108 4.362 4.470 -0.001 0.000 0.224 1244 S C 1.964 176.494 174.600 -0.117 0.000 1.029 1244 S CA 0.999 59.142 58.200 -0.095 0.000 0.988 1244 S CB -0.292 62.830 63.200 -0.129 0.000 0.838 1244 S HN 0.572 nan 8.310 nan 0.000 0.462 1245 A N 1.005 123.725 122.820 -0.168 0.000 2.015 1245 A HA 0.047 4.366 4.320 -0.001 0.000 0.219 1245 A C 2.015 179.562 177.584 -0.062 0.000 1.163 1245 A CA 0.894 52.847 52.037 -0.140 0.000 0.646 1245 A CB -0.580 18.313 19.000 -0.177 0.000 0.806 1245 A HN 0.486 nan 8.150 nan 0.000 0.448 1246 I N -0.757 119.791 120.570 -0.036 0.000 2.286 1246 I HA -0.197 3.972 4.170 -0.001 0.000 0.245 1246 I C 2.428 178.531 176.117 -0.022 0.000 1.104 1246 I CA 1.262 62.552 61.300 -0.017 0.000 1.397 1246 I CB -0.276 37.724 38.000 0.001 0.000 1.072 1246 I HN 0.382 nan 8.210 nan 0.000 0.417 1247 E N 0.488 120.671 120.200 -0.028 0.000 2.106 1247 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 1247 E C 2.008 178.591 176.600 -0.028 0.000 0.984 1247 E CA 1.615 58.000 56.400 -0.025 0.000 0.806 1247 E CB -0.038 29.647 29.700 -0.026 0.000 0.750 1247 E HN 0.463 nan 8.360 nan 0.000 0.458 1248 S N 0.038 115.715 115.700 -0.039 0.000 2.650 1248 S HA 0.044 4.513 4.470 -0.001 0.000 0.219 1248 S C 0.695 175.276 174.600 -0.031 0.000 0.960 1248 S CA -0.183 57.995 58.200 -0.036 0.000 0.925 1248 S CB 0.111 63.283 63.200 -0.047 0.000 0.775 1248 S HN 0.133 nan 8.310 nan 0.000 0.525 1249 R N -0.020 120.463 120.500 -0.028 0.000 4.016 1249 R HA -0.244 4.096 4.340 -0.001 0.000 0.385 1249 R C 0.839 177.124 176.300 -0.025 0.000 1.158 1249 R CA 1.502 57.588 56.100 -0.023 0.000 1.117 1249 R CB -2.515 27.774 30.300 -0.019 0.000 1.635 1249 R HN 0.656 nan 8.270 nan 0.000 0.560 1250 Q N 0.261 120.042 119.800 -0.031 0.000 2.230 1250 Q HA 0.160 4.500 4.340 -0.001 0.000 0.202 1250 Q C 0.866 176.853 176.000 -0.022 0.000 0.963 1250 Q CA 1.153 56.939 55.803 -0.029 0.000 0.866 1250 Q CB 0.201 28.917 28.738 -0.038 0.000 0.931 1250 Q HN 0.470 nan 8.270 nan 0.000 0.452 1251 A N 1.675 124.483 122.820 -0.020 0.000 2.451 1251 A HA 0.132 4.452 4.320 -0.001 0.000 0.266 1251 A C -0.181 177.397 177.584 -0.009 0.000 1.119 1251 A CA -0.128 51.908 52.037 -0.003 0.000 0.786 1251 A CB 0.094 19.101 19.000 0.012 0.000 1.061 1251 A HN 0.209 nan 8.150 nan 0.000 0.503 1252 R N 2.949 123.440 120.500 -0.016 0.000 2.537 1252 R HA 0.228 4.568 4.340 -0.001 0.000 0.280 1252 R C -2.476 173.812 176.300 -0.020 0.000 1.058 1252 R CA -1.354 54.726 56.100 -0.032 0.000 1.057 1252 R CB 0.223 30.488 30.300 -0.059 0.000 0.973 1252 R HN 0.410 nan 8.270 nan 0.000 0.438 1253 P HA -0.009 nan 4.420 nan 0.000 0.262 1253 P C -0.883 176.421 177.300 0.006 0.000 1.199 1253 P CA 0.339 63.436 63.100 -0.004 0.000 0.763 1253 P CB 0.997 32.694 31.700 -0.005 0.000 0.790 1254 T N -0.182 114.387 114.554 0.025 0.000 2.804 1254 T HA 0.240 4.590 4.350 -0.001 0.000 0.290 1254 T C 0.526 175.290 174.700 0.108 0.000 1.099 1254 T CA -0.524 61.610 62.100 0.057 0.000 1.011 1254 T CB 0.403 69.282 68.868 0.019 0.000 1.291 1254 T HN 0.220 nan 8.240 nan 0.000 0.523 1255 Y N 0.928 121.251 120.300 0.037 0.000 2.333 1255 Y HA 0.094 4.644 4.550 -0.001 0.000 0.290 1255 Y C 2.565 178.519 175.900 0.090 0.000 1.144 1255 Y CA 2.023 60.166 58.100 0.072 0.000 1.228 1255 Y CB -0.754 37.767 38.460 0.103 0.000 0.985 1255 Y HN 0.800 nan 8.280 nan 0.000 0.542 1256 A N -0.427 122.516 122.820 0.205 0.000 1.898 1256 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 1256 A C 2.324 179.914 177.584 0.009 0.000 1.181 1256 A CA 2.249 54.350 52.037 0.107 0.000 0.620 1256 A CB -1.479 17.613 19.000 0.154 0.000 0.819 1256 A HN 0.579 nan 8.150 nan 0.000 0.442 1257 T N -2.189 112.378 114.554 0.022 0.000 2.821 1257 T HA 0.094 4.443 4.350 -0.001 0.000 0.267 1257 T C 1.938 176.618 174.700 -0.033 0.000 1.046 1257 T CA 1.605 63.712 62.100 0.011 0.000 1.139 1257 T CB -0.551 68.328 68.868 0.019 0.000 0.871 1257 T HN 0.531 nan 8.240 nan 0.000 0.454 1258 A N 1.974 124.751 122.820 -0.071 0.000 1.902 1258 A HA 0.068 4.388 4.320 -0.001 0.000 0.217 1258 A C 2.499 179.979 177.584 -0.174 0.000 1.181 1258 A CA 1.730 53.700 52.037 -0.112 0.000 0.623 1258 A CB -0.714 18.215 19.000 -0.118 0.000 0.818 1258 A HN 0.416 nan 8.150 nan 0.000 0.443 1259 M N -1.180 118.249 119.600 -0.285 0.000 2.117 1259 M HA -0.067 4.413 4.480 -0.001 0.000 0.262 1259 M C 2.112 178.346 176.300 -0.110 0.000 1.065 1259 M CA 1.172 56.312 55.300 -0.267 0.000 1.114 1259 M CB -1.307 31.076 32.600 -0.362 0.000 1.361 1259 M HN 0.431 nan 8.290 nan 0.000 0.408 1260 L N 0.349 121.540 121.223 -0.054 0.000 2.141 1260 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 1260 L C 2.222 179.088 176.870 -0.006 0.000 1.094 1260 L CA 1.780 56.622 54.840 0.003 0.000 0.763 1260 L CB -0.599 41.493 42.059 0.055 0.000 0.908 1260 L HN 0.356 nan 8.230 nan 0.000 0.437 1261 Q N -1.073 118.714 119.800 -0.022 0.000 2.123 1261 Q HA -0.123 4.217 4.340 -0.001 0.000 0.199 1261 Q C 1.848 177.834 176.000 -0.024 0.000 0.966 1261 Q CA 1.334 57.125 55.803 -0.019 0.000 0.845 1261 Q CB -0.079 28.647 28.738 -0.021 0.000 0.907 1261 Q HN 0.497 nan 8.270 nan 0.000 0.439 1262 N N 0.579 119.255 118.700 -0.040 0.000 2.223 1262 N HA -0.117 4.622 4.740 -0.001 0.000 0.185 1262 N C 1.616 177.112 175.510 -0.024 0.000 1.016 1262 N CA 0.865 53.894 53.050 -0.035 0.000 0.863 1262 N CB -0.083 38.373 38.487 -0.053 0.000 0.983 1262 N HN 0.209 nan 8.380 nan 0.000 0.429 1263 L N 0.146 121.356 121.223 -0.022 0.000 2.093 1263 L HA -0.026 4.314 4.340 -0.001 0.000 0.208 1263 L C 0.899 177.767 176.870 -0.004 0.000 1.085 1263 L CA 0.692 55.526 54.840 -0.009 0.000 0.755 1263 L CB -0.080 41.978 42.059 -0.001 0.000 0.904 1263 L HN 0.054 nan 8.230 nan 0.000 0.435 1264 L N 0.000 121.221 121.223 -0.003 0.000 2.949 1264 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 1264 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 1264 L CB 0.000 42.060 42.059 0.002 0.000 0.961 1264 L HN 0.000 nan 8.230 nan 0.000 0.502