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 3f7r_1_A DATA FIRST_RESID 1126 DATA SEQUENCE DLGAPQNPNA KAAGSRKIHF NWLPPSGKPM GYRVKYWIQG DSESEAHLLD DATA SEQUENCE SKVPSVELTN LYPYCDYEMK VCAYGAQGEG PYSSLVSCRT HQEVPSEPGR DATA SEQUENCE LAFNVVSSTV TQLSWAEPAE TNGEITAYEV CYGLVNDDNR PIGPMKKVLV DATA SEQUENCE DNPKNRMLLI ENLRESQPYR YTVKARNGAG WGPEREAIIN LATQPKRPMS DATA SEQUENCE IPIIPDIPIV DAQS 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 1126 D HA 0.000 4.641 4.640 0.002 0.000 0.175 1126 D C 0.000 176.301 176.300 0.001 0.000 2.045 1126 D CA 0.000 54.002 54.000 0.003 0.000 0.868 1126 D CB 0.000 40.803 40.800 0.005 0.000 0.688 1127 L N 1.713 122.933 121.223 -0.004 0.000 2.313 1127 L HA 0.069 4.560 4.340 -0.007 -0.155 0.282 1127 L C 0.853 177.720 176.870 -0.005 0.000 1.092 1127 L CA -0.378 54.457 54.840 -0.009 0.000 0.831 1127 L CB 0.705 42.750 42.059 -0.023 0.000 1.159 1127 L HN 0.282 8.510 8.230 -0.004 0.000 0.442 1128 G N 2.892 111.694 108.800 0.004 0.000 2.580 1128 G HA2 0.103 4.067 3.960 0.007 0.000 0.278 1128 G HA3 0.103 4.072 3.960 0.015 0.000 0.278 1128 G C -1.444 173.457 174.900 0.001 0.000 1.212 1128 G CA -1.081 44.024 45.100 0.008 0.000 0.939 1128 G HN -0.477 7.818 8.290 0.009 0.000 0.513 1129 A N -0.477 122.345 122.820 0.003 0.000 2.511 1129 A HA 0.186 4.661 4.320 -0.035 -0.176 0.242 1129 A C -1.720 175.863 177.584 -0.001 0.000 1.069 1129 A CA -1.754 50.279 52.037 -0.007 0.000 0.763 1129 A CB -0.208 18.802 19.000 0.017 0.000 1.001 1129 A HN 0.091 8.248 8.150 0.011 0.000 0.498 1130 P HA -0.088 4.459 4.420 0.048 -0.098 0.266 1130 P C -1.294 176.018 177.300 0.021 0.000 1.195 1130 P CA -0.162 62.922 63.100 -0.027 0.000 0.768 1130 P CB 0.632 32.153 31.700 -0.300 0.000 0.838 1131 Q N 0.332 120.175 119.800 0.071 0.000 2.204 1131 Q HA 0.123 4.499 4.340 0.060 0.000 0.254 1131 Q C -0.008 176.045 176.000 0.088 0.000 0.981 1131 Q CA -1.812 54.032 55.803 0.068 0.000 0.897 1131 Q CB 2.212 30.983 28.738 0.054 0.000 1.273 1131 Q HN -0.312 8.014 8.270 0.093 0.000 0.464 1132 N N -2.335 116.410 118.700 0.075 0.000 2.698 1132 N HA -0.356 4.429 4.740 0.074 0.000 0.258 1132 N C -1.976 173.606 175.510 0.120 0.000 0.978 1132 N CA 0.206 53.303 53.050 0.078 0.000 0.777 1132 N CB -1.280 37.236 38.487 0.048 0.000 0.907 1132 N HN 0.467 8.886 8.380 0.065 0.000 0.543 1133 P HA -0.156 4.609 4.420 0.310 -0.159 0.265 1133 P C -1.303 176.178 177.300 0.302 0.000 1.193 1133 P CA 0.152 63.440 63.100 0.312 0.000 0.765 1133 P CB 0.406 32.343 31.700 0.394 0.000 0.823 1134 N N 2.957 121.877 118.700 0.366 0.000 2.455 1134 N HA 0.109 4.953 4.740 0.174 0.000 0.285 1134 N C -2.327 173.340 175.510 0.263 0.000 1.080 1134 N CA 0.053 53.234 53.050 0.218 0.000 0.932 1134 N CB 2.887 41.430 38.487 0.092 0.000 1.610 1134 N HN 0.393 9.036 8.380 0.438 0.000 0.493 1135 A N 3.374 126.275 122.820 0.135 0.000 2.386 1135 A HA 0.974 5.769 4.320 0.102 -0.413 0.311 1135 A C -1.957 175.635 177.584 0.013 0.000 1.068 1135 A CA -1.741 50.331 52.037 0.059 0.000 0.743 1135 A CB 3.167 22.109 19.000 -0.096 0.000 1.258 1135 A HN 0.287 8.485 8.150 0.079 0.000 0.429 1136 K N 3.032 123.442 120.400 0.017 0.000 2.468 1136 K HA 0.325 4.646 4.320 0.002 0.000 0.252 1136 K C -1.786 174.795 176.600 -0.032 0.000 0.932 1136 K CA -1.445 54.850 56.287 0.013 0.000 0.794 1136 K CB 4.198 36.732 32.500 0.057 0.000 1.241 1136 K HN 0.275 8.542 8.250 0.027 0.000 0.428 1137 A N 4.220 126.979 122.820 -0.103 0.000 2.540 1137 A HA -0.081 4.102 4.320 -0.228 0.000 0.239 1137 A C -0.649 176.802 177.584 -0.220 0.000 1.061 1137 A CA 1.531 53.412 52.037 -0.260 0.000 0.758 1137 A CB 0.200 18.869 19.000 -0.552 0.000 0.991 1137 A HN 0.462 8.562 8.150 -0.083 0.000 0.502 1138 A N 2.784 125.491 122.820 -0.188 0.000 2.564 1138 A HA 0.408 4.697 4.320 -0.051 0.000 0.279 1138 A C -1.338 176.199 177.584 -0.078 0.000 1.232 1138 A CA -0.840 51.142 52.037 -0.092 0.000 0.950 1138 A CB 0.958 19.928 19.000 -0.050 0.000 1.138 1138 A HN 0.519 8.440 8.150 -0.195 0.112 0.526 1139 G N -2.156 106.541 108.800 -0.170 0.000 2.356 1139 G HA2 -0.073 4.011 3.960 0.206 0.000 0.266 1139 G HA3 -0.073 3.898 3.960 0.018 0.000 0.266 1139 G C -1.008 173.859 174.900 -0.055 0.000 1.312 1139 G CA 0.033 45.137 45.100 0.008 0.000 0.922 1139 G HN -0.815 7.184 8.290 -0.386 0.059 0.480 1140 S N 0.394 116.129 115.700 0.058 0.000 2.528 1140 S HA 0.013 4.791 4.470 0.116 -0.238 0.219 1140 S C 0.611 175.234 174.600 0.038 0.000 0.985 1140 S CA 0.989 59.239 58.200 0.085 0.000 0.914 1140 S CB 0.455 63.723 63.200 0.113 0.000 0.776 1140 S HN 0.508 8.860 8.310 0.071 0.000 0.526 1141 R N -2.046 118.444 120.500 -0.017 0.000 2.549 1141 R HA 0.253 4.713 4.340 -0.032 -0.140 0.361 1141 R C -2.180 174.052 176.300 -0.113 0.000 0.969 1141 R CA -0.087 55.984 56.100 -0.048 0.000 1.158 1141 R CB 1.815 32.093 30.300 -0.036 0.000 1.456 1141 R HN -0.043 8.161 8.270 -0.027 0.050 0.540 1142 K N -1.093 119.229 120.400 -0.130 0.000 2.502 1142 K HA 0.876 5.296 4.320 -0.194 -0.217 0.257 1142 K C -1.643 174.846 176.600 -0.184 0.000 0.938 1142 K CA -1.309 54.882 56.287 -0.159 0.000 0.819 1142 K CB 4.259 36.697 32.500 -0.103 0.000 1.333 1142 K HN -0.593 7.586 8.250 -0.118 0.000 0.434 1143 I N 1.147 121.595 120.570 -0.203 0.000 2.545 1143 I HA 0.325 4.527 4.170 -0.133 -0.112 0.292 1143 I C -2.156 173.939 176.117 -0.036 0.000 1.040 1143 I CA -1.080 60.127 61.300 -0.156 0.000 1.068 1143 I CB 4.526 42.377 38.000 -0.248 0.000 1.251 1143 I HN 0.050 8.120 8.210 -0.233 0.000 0.424 1144 H N 8.027 127.054 119.070 -0.071 0.000 2.552 1144 H HA 0.549 5.259 4.556 -0.020 -0.165 0.311 1144 H C -1.951 173.434 175.328 0.095 0.000 1.071 1144 H CA -1.724 54.315 56.048 -0.016 0.000 1.307 1144 H CB 1.970 31.708 29.762 -0.040 0.000 1.416 1144 H HN 0.352 8.690 8.280 0.096 0.000 0.464 1145 F N 9.333 129.024 119.950 -0.432 0.000 2.507 1145 F HA 0.877 5.443 4.527 -0.254 -0.192 0.328 1145 F C -2.824 172.738 175.800 -0.397 0.000 1.136 1145 F CA -3.251 54.585 58.000 -0.273 0.000 0.930 1145 F CB 2.959 41.947 39.000 -0.019 0.000 1.166 1145 F HN 0.265 8.496 8.300 -0.116 0.000 0.436 1146 N N 3.920 122.335 118.700 -0.475 0.000 2.629 1146 N HA 0.362 4.263 4.740 -1.398 0.000 0.279 1146 N C -2.511 172.740 175.510 -0.432 0.000 1.344 1146 N CA -1.099 51.450 53.050 -0.834 0.000 0.789 1146 N CB 3.548 41.594 38.487 -0.735 0.000 1.508 1146 N HN 0.557 8.828 8.380 -0.181 0.000 0.516 1147 W N -6.332 114.698 121.300 -0.449 0.000 2.937 1147 W HA 0.499 5.170 4.660 -0.246 -0.159 0.360 1147 W C -2.415 173.938 176.519 -0.276 0.000 1.215 1147 W CA -0.685 56.449 57.345 -0.351 0.000 1.183 1147 W CB 1.686 30.873 29.460 -0.455 0.000 1.458 1147 W HN -0.416 7.016 8.180 -1.247 0.000 0.574 1148 L N 0.776 122.029 121.223 0.051 0.000 2.307 1148 L HA 0.493 4.783 4.340 -0.083 0.000 0.282 1148 L C -1.155 175.789 176.870 0.123 0.000 1.051 1148 L CA -2.673 52.172 54.840 0.008 0.000 0.804 1148 L CB 0.793 42.864 42.059 0.019 0.000 1.197 1148 L HN 0.383 8.690 8.230 0.128 0.000 0.431 1149 P HA 0.104 4.725 4.420 0.335 0.000 0.265 1149 P C -2.024 175.362 177.300 0.143 0.000 1.193 1149 P CA -1.040 62.181 63.100 0.202 0.000 0.765 1149 P CB -0.693 31.105 31.700 0.164 0.000 0.823 1150 P HA 0.118 4.579 4.420 0.069 0.000 0.276 1150 P C -0.451 176.886 177.300 0.062 0.000 1.252 1150 P CA -0.945 62.206 63.100 0.086 0.000 0.802 1150 P CB 1.635 33.379 31.700 0.072 0.000 1.035 1151 S N -0.355 115.368 115.700 0.038 0.000 2.579 1151 S HA -0.037 4.448 4.470 0.025 0.000 0.275 1151 S C 0.923 175.533 174.600 0.016 0.000 1.345 1151 S CA 0.426 58.641 58.200 0.025 0.000 1.031 1151 S CB 0.506 63.718 63.200 0.018 0.000 0.892 1151 S HN 0.175 8.506 8.310 0.035 0.000 0.529 1152 G N 1.330 110.135 108.800 0.008 0.000 2.147 1152 G HA2 -0.216 3.744 3.960 0.000 0.000 0.128 1152 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.128 1152 G C -0.849 174.044 174.900 -0.011 0.000 1.026 1152 G CA -0.368 44.731 45.100 -0.001 0.000 0.693 1152 G HN 0.397 8.692 8.290 0.008 0.000 0.499 1153 K N -2.380 118.012 120.400 -0.013 0.000 3.353 1153 K HA -0.276 4.031 4.320 -0.022 0.000 0.272 1153 K C -2.660 173.904 176.600 -0.060 0.000 1.071 1153 K CA -0.275 55.996 56.287 -0.026 0.000 0.789 1153 K CB -1.305 31.186 32.500 -0.016 0.000 1.325 1153 K HN 0.052 8.299 8.250 -0.006 0.000 0.464 1154 P HA -0.004 4.390 4.420 -0.224 -0.109 0.271 1154 P C -0.528 176.612 177.300 -0.267 0.000 1.216 1154 P CA 0.260 63.224 63.100 -0.227 0.000 0.771 1154 P CB 0.705 32.234 31.700 -0.286 0.000 0.864 1155 M N 0.948 120.357 119.600 -0.319 0.000 2.414 1155 M HA 0.278 4.674 4.480 -0.140 0.000 0.251 1155 M C 0.003 176.057 176.300 -0.411 0.000 1.116 1155 M CA -1.044 54.132 55.300 -0.207 0.000 1.056 1155 M CB 0.664 33.276 32.600 0.020 0.000 1.388 1155 M HN 0.767 8.850 8.290 -0.344 0.000 0.487 1156 G N -3.719 104.454 108.800 -1.045 0.000 2.327 1156 G HA2 0.143 3.561 3.960 -0.904 0.000 0.291 1156 G HA3 0.143 3.575 3.960 -0.880 0.000 0.291 1156 G C -3.193 170.587 174.900 -1.866 0.000 1.290 1156 G CA 0.592 44.950 45.100 -1.237 0.000 0.857 1156 G HN -0.851 6.689 8.290 -1.194 0.034 0.520 1157 Y N -3.053 116.939 120.300 -0.514 0.000 2.524 1157 Y HA 0.725 5.206 4.550 -0.390 -0.165 0.347 1157 Y C -1.726 174.225 175.900 0.086 0.000 1.005 1157 Y CA -1.495 56.458 58.100 -0.245 0.000 1.025 1157 Y CB 5.250 43.690 38.460 -0.034 0.000 1.275 1157 Y HN 0.395 8.528 8.280 -0.246 0.000 0.460 1158 R N 1.879 122.519 120.500 0.233 0.000 2.393 1158 R HA 0.484 5.159 4.340 0.320 -0.143 0.315 1158 R C -1.783 174.659 176.300 0.236 0.000 0.952 1158 R CA -1.584 54.682 56.100 0.276 0.000 0.842 1158 R CB 3.041 33.515 30.300 0.290 0.000 1.163 1158 R HN 0.370 8.712 8.270 0.120 0.000 0.450 1159 V N 8.368 128.460 119.914 0.297 0.000 2.407 1159 V HA 0.459 4.962 4.120 0.353 -0.171 0.278 1159 V C -1.246 175.121 176.094 0.454 0.000 1.037 1159 V CA -0.743 61.782 62.300 0.375 0.000 0.900 1159 V CB 1.663 33.735 31.823 0.415 0.000 0.983 1159 V HN 0.670 9.049 8.190 0.315 0.000 0.459 1160 K N 6.712 127.386 120.400 0.456 0.000 2.182 1160 K HA 0.997 5.750 4.320 0.345 -0.226 0.262 1160 K C -0.957 175.920 176.600 0.462 0.000 0.957 1160 K CA -1.851 54.678 56.287 0.403 0.000 0.842 1160 K CB 2.327 35.016 32.500 0.315 0.000 1.099 1160 K HN 0.259 8.791 8.250 0.471 0.000 0.438 1161 Y N -0.590 119.931 120.300 0.370 0.000 2.534 1161 Y HA 0.965 5.582 4.550 -0.186 -0.178 0.345 1161 Y C -2.886 173.316 175.900 0.502 0.000 1.031 1161 Y CA -2.696 55.508 58.100 0.172 0.000 1.022 1161 Y CB 3.388 41.886 38.460 0.064 0.000 1.292 1161 Y HN 0.181 8.563 8.280 0.171 0.000 0.459 1162 W N -3.791 117.681 121.300 0.286 0.000 3.074 1162 W HA 0.526 5.330 4.660 0.241 0.000 0.332 1162 W C -2.466 174.128 176.519 0.124 0.000 1.253 1162 W CA -1.583 55.872 57.345 0.183 0.000 1.180 1162 W CB 2.375 31.830 29.460 -0.007 0.000 1.445 1162 W HN 0.561 8.582 8.180 -0.264 0.000 0.573 1163 I N 0.829 121.466 120.570 0.111 0.000 2.533 1163 I HA -0.123 3.709 4.170 -0.785 -0.133 0.284 1163 I C 0.105 176.191 176.117 -0.051 0.000 1.109 1163 I CA 0.215 61.332 61.300 -0.305 0.000 1.412 1163 I CB 0.196 38.051 38.000 -0.241 0.000 1.396 1163 I HN 0.726 9.084 8.210 0.246 0.000 0.543 1164 Q N 8.938 128.628 119.800 -0.183 0.000 2.263 1164 Q HA -0.482 3.893 4.340 0.058 0.000 0.289 1164 Q C 0.492 176.498 176.000 0.011 0.000 1.061 1164 Q CA 2.059 57.837 55.803 -0.041 0.000 0.927 1164 Q CB 0.276 28.948 28.738 -0.109 0.000 1.154 1164 Q HN 0.032 8.001 8.270 -0.321 0.109 0.378 1165 G N 6.573 115.428 108.800 0.092 0.000 2.254 1165 G HA2 -0.268 3.706 3.960 0.023 0.000 0.225 1165 G HA3 -0.268 3.689 3.960 -0.005 0.000 0.225 1165 G C -0.337 174.578 174.900 0.026 0.000 1.003 1165 G CA -0.243 44.876 45.100 0.033 0.000 0.622 1165 G HN 0.476 8.863 8.290 0.161 0.000 0.507 1166 D N 0.008 120.454 120.400 0.077 0.000 2.383 1166 D HA 0.276 4.896 4.640 -0.034 0.000 0.248 1166 D C -0.694 175.518 176.300 -0.147 0.000 1.170 1166 D CA -0.224 53.775 54.000 -0.003 0.000 0.977 1166 D CB 1.529 42.357 40.800 0.046 0.000 1.120 1166 D HN -0.312 8.104 8.370 0.169 0.056 0.481 1167 S N -1.483 114.095 115.700 -0.203 0.000 2.713 1167 S HA 0.174 4.444 4.470 -0.333 0.000 0.277 1167 S C 0.852 175.178 174.600 -0.456 0.000 1.168 1167 S CA -1.259 56.758 58.200 -0.305 0.000 0.994 1167 S CB 1.157 64.236 63.200 -0.202 0.000 1.054 1167 S HN -0.115 8.103 8.310 -0.153 0.000 0.555 1168 E N -0.142 119.770 120.200 -0.480 0.000 2.463 1168 E HA 0.139 4.105 4.350 -0.640 0.000 0.193 1168 E C 0.145 176.557 176.600 -0.315 0.000 1.041 1168 E CA 0.566 56.647 56.400 -0.533 0.000 0.879 1168 E CB 0.032 29.348 29.700 -0.639 0.000 0.997 1168 E HN 0.464 8.581 8.360 -0.404 0.000 0.478 1169 S N -1.782 113.775 115.700 -0.239 0.000 2.558 1169 S HA -0.004 4.369 4.470 -0.161 0.000 0.217 1169 S C 1.018 175.511 174.600 -0.179 0.000 0.975 1169 S CA 1.390 59.486 58.200 -0.174 0.000 0.912 1169 S CB 0.233 63.355 63.200 -0.130 0.000 0.776 1169 S HN -0.484 7.686 8.310 -0.233 0.000 0.526 1170 E N 0.278 120.352 120.200 -0.211 0.000 2.481 1170 E HA 0.042 4.272 4.350 -0.200 0.000 0.198 1170 E C -1.335 175.093 176.600 -0.286 0.000 1.027 1170 E CA -0.810 55.465 56.400 -0.208 0.000 0.900 1170 E CB 0.585 30.203 29.700 -0.137 0.000 0.993 1170 E HN -0.537 7.519 8.360 -0.237 0.162 0.482 1171 A N -0.314 122.343 122.820 -0.272 0.000 2.401 1171 A HA -0.111 4.292 4.320 -0.059 -0.119 0.259 1171 A C 0.078 177.456 177.584 -0.344 0.000 1.103 1171 A CA 0.119 52.039 52.037 -0.196 0.000 0.789 1171 A CB 0.735 19.654 19.000 -0.136 0.000 1.035 1171 A HN -0.566 7.248 8.150 -0.275 0.171 0.491 1172 H N 2.140 121.042 119.070 -0.279 0.000 2.562 1172 H HA 0.073 4.514 4.556 -0.192 0.000 0.352 1172 H C -1.013 174.194 175.328 -0.202 0.000 1.125 1172 H CA 0.093 55.909 56.048 -0.387 0.000 1.379 1172 H CB 1.615 30.796 29.762 -0.967 0.000 1.464 1172 H HN 0.125 8.164 8.280 -0.401 0.000 0.563 1173 L N 1.607 122.897 121.223 0.110 0.000 2.349 1173 L HA 0.595 5.248 4.340 0.226 -0.178 0.278 1173 L C -0.929 176.098 176.870 0.261 0.000 0.996 1173 L CA -1.341 53.613 54.840 0.191 0.000 0.825 1173 L CB 1.710 43.849 42.059 0.134 0.000 1.243 1173 L HN 0.243 8.550 8.230 0.128 0.000 0.412 1174 L N 4.720 126.144 121.223 0.335 0.000 2.376 1174 L HA 0.440 4.946 4.340 0.276 0.000 0.275 1174 L C -2.121 174.926 176.870 0.295 0.000 0.987 1174 L CA -1.403 53.632 54.840 0.324 0.000 0.828 1174 L CB 4.302 46.599 42.059 0.396 0.000 1.249 1174 L HN 0.476 8.922 8.230 0.361 0.000 0.409 1175 D N 6.291 126.843 120.400 0.252 0.000 2.304 1175 D HA 0.353 5.342 4.640 0.321 -0.157 0.247 1175 D C -0.769 175.697 176.300 0.277 0.000 1.089 1175 D CA 0.173 54.338 54.000 0.275 0.000 0.910 1175 D CB 1.126 42.061 40.800 0.224 0.000 1.199 1175 D HN 0.183 8.685 8.370 0.220 0.000 0.426 1176 S N 1.851 117.744 115.700 0.321 0.000 2.536 1176 S HA 0.300 4.909 4.470 0.232 0.000 0.271 1176 S C -0.397 174.370 174.600 0.278 0.000 1.134 1176 S CA -1.496 56.882 58.200 0.296 0.000 0.897 1176 S CB 1.709 65.121 63.200 0.353 0.000 1.094 1176 S HN 0.135 8.660 8.310 0.357 0.000 0.473 1177 K N 4.049 124.566 120.400 0.194 0.000 2.393 1177 K HA 0.135 4.505 4.320 0.084 0.000 0.193 1177 K C 0.283 176.978 176.600 0.159 0.000 1.026 1177 K CA -0.164 56.202 56.287 0.130 0.000 1.064 1177 K CB -0.224 32.330 32.500 0.089 0.000 0.833 1177 K HN 0.338 8.687 8.250 0.166 0.000 0.521 1178 V N -5.051 114.977 119.914 0.189 0.000 3.074 1178 V HA 0.614 4.816 4.120 0.137 0.000 0.314 1178 V C -2.054 174.040 176.094 0.001 0.000 1.117 1178 V CA -3.805 58.558 62.300 0.105 0.000 1.014 1178 V CB 1.339 33.156 31.823 -0.011 0.000 1.057 1178 V HN -0.790 7.513 8.190 0.188 0.000 0.438 1179 P HA 0.202 3.869 4.420 -1.256 0.000 0.235 1179 P C -1.795 174.414 177.300 -1.819 0.000 1.725 1179 P CA -0.137 62.273 63.100 -1.151 0.000 0.894 1179 P CB -1.979 29.205 31.700 -0.860 0.000 1.704 1180 S N -2.560 112.413 115.700 -1.212 0.000 2.565 1180 S HA 0.688 4.322 4.470 -1.644 -0.150 0.269 1180 S C -2.026 172.350 174.600 -0.374 0.000 1.153 1180 S CA -1.228 56.354 58.200 -1.031 0.000 0.835 1180 S CB 2.950 65.876 63.200 -0.457 0.000 1.122 1180 S HN -0.414 7.386 8.310 -0.695 0.093 0.462 1181 V N -6.943 112.885 119.914 -0.144 0.000 3.114 1181 V HA 0.524 4.686 4.120 0.070 0.000 0.308 1181 V C -2.518 173.649 176.094 0.121 0.000 1.168 1181 V CA -2.270 60.078 62.300 0.081 0.000 1.015 1181 V CB 3.745 35.691 31.823 0.204 0.000 1.050 1181 V HN 0.463 8.520 8.190 -0.222 0.000 0.433 1182 E N 2.870 123.123 120.200 0.088 0.000 2.133 1182 E HA 0.515 5.080 4.350 0.075 -0.170 0.274 1182 E C -0.646 175.922 176.600 -0.053 0.000 0.930 1182 E CA -1.799 54.626 56.400 0.042 0.000 0.770 1182 E CB 1.903 31.612 29.700 0.016 0.000 1.104 1182 E HN 0.096 8.498 8.360 0.069 0.000 0.403 1183 L N 6.886 128.013 121.223 -0.160 0.000 2.331 1183 L HA 0.180 4.304 4.340 -0.361 0.000 0.278 1183 L C -0.606 176.100 176.870 -0.273 0.000 1.106 1183 L CA 0.083 54.706 54.840 -0.361 0.000 0.824 1183 L CB 0.465 42.119 42.059 -0.676 0.000 1.142 1183 L HN 0.554 8.697 8.230 -0.145 0.000 0.443 1184 T N -1.926 112.495 114.554 -0.221 0.000 2.910 1184 T HA 0.287 4.662 4.350 -0.149 -0.114 0.287 1184 T C -0.064 174.551 174.700 -0.141 0.000 1.050 1184 T CA -2.521 59.492 62.100 -0.146 0.000 1.011 1184 T CB 2.478 71.300 68.868 -0.077 0.000 1.195 1184 T HN -0.025 8.088 8.240 -0.212 0.000 0.540 1185 N N -1.002 117.632 118.700 -0.110 0.000 2.740 1185 N HA -0.411 4.269 4.740 -0.100 0.000 0.248 1185 N C -1.108 174.322 175.510 -0.133 0.000 1.062 1185 N CA 0.719 53.705 53.050 -0.106 0.000 0.704 1185 N CB -0.678 37.761 38.487 -0.080 0.000 0.968 1185 N HN 0.208 8.529 8.380 -0.097 0.000 0.547 1186 L N -3.618 117.523 121.223 -0.136 0.000 2.439 1186 L HA 0.072 4.424 4.340 0.020 0.000 0.259 1186 L C -0.304 176.568 176.870 0.003 0.000 1.129 1186 L CA -0.919 53.879 54.840 -0.069 0.000 0.803 1186 L CB 0.933 42.836 42.059 -0.259 0.000 1.161 1186 L HN -0.615 7.521 8.230 -0.142 0.009 0.462 1187 Y N -0.058 120.396 120.300 0.258 0.000 2.319 1187 Y HA 0.141 4.781 4.550 0.151 0.000 0.328 1187 Y C -1.609 174.407 175.900 0.193 0.000 1.133 1187 Y CA -0.698 57.523 58.100 0.203 0.000 1.265 1187 Y CB -0.430 38.145 38.460 0.193 0.000 1.218 1187 Y HN -0.039 8.642 8.280 0.669 0.000 0.508 1188 P HA -0.048 4.738 4.420 0.220 -0.234 0.269 1188 P C -0.777 176.721 177.300 0.330 0.000 1.215 1188 P CA -0.131 63.124 63.100 0.259 0.000 0.780 1188 P CB 0.536 32.355 31.700 0.198 0.000 0.898 1189 Y N -0.143 120.237 120.300 0.134 0.000 3.037 1189 Y HA -0.438 4.334 4.550 0.097 -0.164 0.204 1189 Y C -1.463 174.491 175.900 0.090 0.000 1.275 1189 Y CA 1.153 59.313 58.100 0.100 0.000 1.066 1189 Y CB -1.861 36.640 38.460 0.068 0.000 1.305 1189 Y HN -0.094 8.390 8.280 0.340 0.000 0.499 1190 C N 1.066 120.398 119.300 0.054 0.000 2.535 1190 C HA 0.223 4.602 4.460 -0.135 0.000 0.319 1190 C C -1.912 173.060 174.990 -0.029 0.000 1.171 1190 C CA -2.387 56.619 59.018 -0.020 0.000 1.394 1190 C CB 3.114 30.930 27.740 0.126 0.000 1.990 1190 C HN 0.048 8.360 8.230 0.135 0.000 0.466 1191 D N 8.877 129.171 120.400 -0.175 0.000 2.343 1191 D HA 0.039 4.750 4.640 -0.078 -0.119 0.255 1191 D C -1.299 174.830 176.300 -0.285 0.000 1.187 1191 D CA 0.997 54.902 54.000 -0.158 0.000 0.875 1191 D CB 0.390 41.088 40.800 -0.171 0.000 1.136 1191 D HN 0.366 8.604 8.370 -0.219 0.000 0.469 1192 Y N 3.675 123.892 120.300 -0.138 0.000 2.468 1192 Y HA 0.464 5.064 4.550 -0.171 -0.153 0.342 1192 Y C -0.862 174.833 175.900 -0.342 0.000 1.021 1192 Y CA -1.006 56.978 58.100 -0.194 0.000 1.079 1192 Y CB 4.152 42.526 38.460 -0.144 0.000 1.226 1192 Y HN 0.567 8.900 8.280 0.090 0.000 0.460 1193 E N 0.184 120.107 120.200 -0.462 0.000 2.212 1193 E HA 0.928 5.151 4.350 -0.523 -0.187 0.268 1193 E C -1.010 174.985 176.600 -1.007 0.000 0.902 1193 E CA -1.831 54.102 56.400 -0.778 0.000 0.779 1193 E CB 3.931 33.038 29.700 -0.990 0.000 1.172 1193 E HN 0.593 8.611 8.360 -0.569 0.000 0.409 1194 M N -1.101 118.030 119.600 -0.782 0.000 2.603 1194 M HA 0.998 5.322 4.480 -0.565 -0.183 0.275 1194 M C -2.601 173.467 176.300 -0.387 0.000 1.226 1194 M CA -0.865 54.071 55.300 -0.608 0.000 0.870 1194 M CB 5.214 37.415 32.600 -0.665 0.000 1.716 1194 M HN 0.504 8.406 8.290 -0.646 0.000 0.482 1195 K N -3.459 116.929 120.400 -0.020 0.000 2.579 1195 K HA 0.706 5.220 4.320 0.324 0.000 0.284 1195 K C -2.921 173.969 176.600 0.483 0.000 0.990 1195 K CA -0.988 55.461 56.287 0.271 0.000 0.880 1195 K CB 4.483 37.119 32.500 0.227 0.000 1.488 1195 K HN 0.374 8.676 8.250 0.086 0.000 0.425 1196 V N -0.521 119.611 119.914 0.363 0.000 2.888 1196 V HA 0.864 5.275 4.120 0.142 -0.206 0.309 1196 V C -2.152 173.774 176.094 -0.280 0.000 1.114 1196 V CA -2.706 59.564 62.300 -0.051 0.000 0.940 1196 V CB 3.880 35.136 31.823 -0.945 0.000 1.021 1196 V HN -0.004 8.370 8.190 0.305 0.000 0.426 1197 C N 4.803 123.791 119.300 -0.520 0.000 2.667 1197 C HA 0.721 4.904 4.460 -0.462 0.000 0.323 1197 C C -1.971 172.876 174.990 -0.238 0.000 1.214 1197 C CA -3.969 54.697 59.018 -0.587 0.000 1.721 1197 C CB 3.473 30.545 27.740 -1.112 0.000 2.275 1197 C HN 0.399 8.389 8.230 -0.400 0.000 0.491 1198 A N -0.270 122.456 122.820 -0.158 0.000 2.282 1198 A HA 0.831 5.078 4.320 -0.397 -0.166 0.319 1198 A C -1.602 175.852 177.584 -0.217 0.000 1.121 1198 A CA -1.731 50.159 52.037 -0.244 0.000 0.836 1198 A CB 2.461 21.366 19.000 -0.159 0.000 1.146 1198 A HN 0.575 8.627 8.150 -0.162 0.000 0.494 1199 Y N -4.600 115.568 120.300 -0.220 0.000 2.512 1199 Y HA 0.975 5.630 4.550 -0.122 -0.178 0.348 1199 Y C -1.412 174.405 175.900 -0.139 0.000 0.990 1199 Y CA -2.927 55.085 58.100 -0.147 0.000 1.033 1199 Y CB 2.737 41.131 38.460 -0.111 0.000 1.259 1199 Y HN 0.116 7.838 8.280 -0.930 0.000 0.461 1200 G N -0.339 108.536 108.800 0.125 0.000 2.694 1200 G HA2 0.160 4.173 3.960 0.088 0.000 0.246 1200 G HA3 0.160 4.123 3.960 0.005 0.000 0.246 1200 G C -0.777 174.155 174.900 0.053 0.000 1.205 1200 G CA 0.059 45.196 45.100 0.062 0.000 0.891 1200 G HN 0.094 8.458 8.290 0.124 0.000 0.515 1201 A N 0.100 122.934 122.820 0.023 0.000 1.978 1201 A HA -0.236 4.094 4.320 0.018 0.000 0.220 1201 A C 1.252 178.843 177.584 0.013 0.000 1.170 1201 A CA 2.920 54.966 52.037 0.016 0.000 0.636 1201 A CB -0.574 18.430 19.000 0.008 0.000 0.810 1201 A HN 0.531 8.688 8.150 0.012 0.000 0.448 1202 Q N -4.695 115.113 119.800 0.013 0.000 2.392 1202 Q HA 0.014 4.359 4.340 0.007 0.000 0.203 1202 Q C 0.069 176.077 176.000 0.013 0.000 0.917 1202 Q CA -0.572 55.237 55.803 0.010 0.000 0.939 1202 Q CB 0.505 29.247 28.738 0.007 0.000 1.063 1202 Q HN -0.095 8.160 8.270 0.014 0.023 0.516 1203 G N -0.095 108.719 108.800 0.024 0.000 2.418 1203 G HA2 -0.276 3.695 3.960 0.019 0.000 0.206 1203 G HA3 -0.276 3.691 3.960 0.013 0.000 0.206 1203 G C -2.076 172.854 174.900 0.050 0.000 1.202 1203 G CA -0.739 44.376 45.100 0.025 0.000 1.061 1203 G HN -0.382 7.760 8.290 0.033 0.168 0.563 1204 E N 3.089 123.310 120.200 0.035 0.000 2.259 1204 E HA 0.206 4.745 4.350 0.056 -0.154 0.281 1204 E C 0.093 176.687 176.600 -0.011 0.000 1.027 1204 E CA -0.226 56.190 56.400 0.026 0.000 0.838 1204 E CB 0.853 30.562 29.700 0.014 0.000 1.066 1204 E HN 0.177 8.551 8.360 0.023 0.000 0.401 1205 G N 4.981 113.754 108.800 -0.046 0.000 2.543 1205 G HA2 0.269 4.215 3.960 -0.024 0.000 0.290 1205 G HA3 0.269 4.197 3.960 -0.054 0.000 0.290 1205 G C -2.120 172.729 174.900 -0.085 0.000 1.310 1205 G CA -1.206 43.863 45.100 -0.050 0.000 1.025 1205 G HN 0.007 8.263 8.290 -0.058 0.000 0.502 1206 P HA 0.054 4.499 4.420 0.041 0.000 0.274 1206 P C -1.610 175.651 177.300 -0.065 0.000 1.237 1206 P CA -0.672 62.427 63.100 -0.001 0.000 0.793 1206 P CB 1.308 33.032 31.700 0.041 0.000 0.977 1207 Y N -0.969 119.347 120.300 0.028 0.000 2.357 1207 Y HA -0.227 4.471 4.550 0.007 -0.144 0.340 1207 Y C 1.218 177.130 175.900 0.019 0.000 1.260 1207 Y CA 1.253 59.368 58.100 0.025 0.000 1.425 1207 Y CB 1.348 39.842 38.460 0.057 0.000 1.326 1207 Y HN 0.010 8.473 8.280 0.306 0.000 0.580 1208 S N 1.688 117.485 115.700 0.160 0.000 2.596 1208 S HA -0.023 4.496 4.470 0.081 0.000 0.260 1208 S C 0.388 175.083 174.600 0.157 0.000 1.336 1208 S CA -0.167 58.105 58.200 0.120 0.000 0.993 1208 S CB 1.470 64.726 63.200 0.093 0.000 0.923 1208 S HN 0.179 8.572 8.310 0.137 0.000 0.567 1209 S N -0.966 114.803 115.700 0.116 0.000 2.580 1209 S HA -0.171 4.358 4.470 0.098 0.000 0.266 1209 S C -0.175 174.484 174.600 0.100 0.000 1.354 1209 S CA -0.060 58.200 58.200 0.099 0.000 1.008 1209 S CB 0.585 63.829 63.200 0.074 0.000 0.898 1209 S HN 0.097 8.466 8.310 0.099 0.000 0.555 1210 L N 1.153 122.414 121.223 0.063 0.000 2.326 1210 L HA 0.267 4.758 4.340 0.001 -0.151 0.278 1210 L C -0.470 176.373 176.870 -0.045 0.000 1.092 1210 L CA -0.489 54.356 54.840 0.008 0.000 0.810 1210 L CB 1.336 43.412 42.059 0.028 0.000 1.153 1210 L HN 0.042 8.308 8.230 0.060 0.000 0.439 1211 V N 2.719 122.545 119.914 -0.147 0.000 2.864 1211 V HA 0.542 4.607 4.120 -0.092 0.000 0.314 1211 V C -2.082 173.868 176.094 -0.241 0.000 1.073 1211 V CA -1.765 60.439 62.300 -0.160 0.000 0.956 1211 V CB 3.452 35.189 31.823 -0.143 0.000 1.023 1211 V HN 0.729 8.783 8.190 -0.227 0.000 0.435 1212 S N 2.001 117.602 115.700 -0.165 0.000 2.566 1212 S HA 1.046 5.580 4.470 -0.211 -0.191 0.298 1212 S C -0.739 173.789 174.600 -0.120 0.000 1.083 1212 S CA -1.723 56.380 58.200 -0.161 0.000 0.978 1212 S CB 2.462 65.589 63.200 -0.120 0.000 1.073 1212 S HN -0.038 8.202 8.310 -0.117 0.000 0.491 1213 C N 1.128 120.369 119.300 -0.099 0.000 3.113 1213 C HA 0.216 4.643 4.460 -0.054 0.000 0.376 1213 C C -2.552 172.428 174.990 -0.016 0.000 1.077 1213 C CA -0.334 58.645 59.018 -0.065 0.000 1.253 1213 C CB 2.863 30.544 27.740 -0.099 0.000 1.637 1213 C HN 0.561 8.735 8.230 -0.092 0.000 0.535 1214 R N 6.840 127.332 120.500 -0.013 0.000 2.393 1214 R HA 0.605 5.173 4.340 0.039 -0.205 0.310 1214 R C -0.056 176.255 176.300 0.019 0.000 0.968 1214 R CA -1.274 54.830 56.100 0.008 0.000 0.867 1214 R CB 2.376 32.652 30.300 -0.041 0.000 1.124 1214 R HN 0.215 8.475 8.270 -0.018 0.000 0.450 1215 T N 4.345 118.938 114.554 0.064 0.000 2.856 1215 T HA 0.011 4.290 4.350 -0.119 0.000 0.306 1215 T C 0.142 174.923 174.700 0.135 0.000 1.062 1215 T CA 0.284 62.395 62.100 0.018 0.000 1.083 1215 T CB 1.147 70.068 68.868 0.088 0.000 0.984 1215 T HN -0.220 8.100 8.240 0.133 0.000 0.542 1216 H N 2.257 121.395 119.070 0.113 0.000 2.757 1216 H HA -0.038 4.607 4.556 0.149 0.000 0.370 1216 H C 0.442 175.870 175.328 0.166 0.000 1.172 1216 H CA -0.070 56.054 56.048 0.128 0.000 1.426 1216 H CB 1.169 30.971 29.762 0.067 0.000 1.438 1216 H HN -0.234 7.977 8.280 -0.116 0.000 0.612 1217 Q N 0.253 120.221 119.800 0.281 0.000 2.421 1217 Q HA -0.016 4.511 4.340 0.138 -0.104 0.255 1217 Q C -0.781 175.265 176.000 0.075 0.000 1.013 1217 Q CA 1.508 57.369 55.803 0.096 0.000 0.895 1217 Q CB 1.027 29.676 28.738 -0.148 0.000 1.271 1217 Q HN 0.249 8.674 8.270 0.258 0.000 0.460 1218 E N 1.977 122.202 120.200 0.041 0.000 2.343 1218 E HA 0.180 4.548 4.350 0.029 0.000 0.270 1218 E C -1.350 175.244 176.600 -0.010 0.000 0.895 1218 E CA -2.315 54.104 56.400 0.031 0.000 0.767 1218 E CB 3.482 33.219 29.700 0.061 0.000 1.248 1218 E HN -0.349 8.031 8.360 0.034 0.000 0.440 1219 V N -0.684 119.224 119.914 -0.011 0.000 2.901 1219 V HA -0.064 4.178 4.120 -0.069 -0.163 0.307 1219 V C -1.500 174.591 176.094 -0.004 0.000 1.084 1219 V CA -1.583 60.701 62.300 -0.026 0.000 1.184 1219 V CB -0.169 31.657 31.823 0.005 0.000 0.941 1219 V HN 0.148 8.338 8.190 0.001 0.000 0.493 1220 P HA 0.128 4.675 4.420 0.022 -0.113 0.271 1220 P C -0.445 176.887 177.300 0.053 0.000 1.233 1220 P CA -0.167 62.943 63.100 0.017 0.000 0.789 1220 P CB 1.008 32.710 31.700 0.003 0.000 0.951 1221 S N 2.425 118.166 115.700 0.070 0.000 2.633 1221 S HA -0.054 4.457 4.470 0.069 0.000 0.257 1221 S C -0.139 174.517 174.600 0.094 0.000 1.265 1221 S CA -0.086 58.160 58.200 0.077 0.000 0.980 1221 S CB 1.133 64.381 63.200 0.080 0.000 1.017 1221 S HN 0.183 8.537 8.310 0.072 0.000 0.577 1222 E N -0.056 120.197 120.200 0.089 0.000 2.404 1222 E HA 0.319 4.906 4.350 0.094 -0.180 0.261 1222 E C -1.227 175.445 176.600 0.119 0.000 1.074 1222 E CA -0.512 55.943 56.400 0.092 0.000 0.917 1222 E CB 0.185 29.927 29.700 0.070 0.000 0.965 1222 E HN 0.249 8.656 8.360 0.079 0.000 0.433 1223 P HA -0.082 4.483 4.420 0.241 0.000 0.271 1223 P C -0.224 177.155 177.300 0.132 0.000 1.244 1223 P CA 0.049 63.248 63.100 0.165 0.000 0.793 1223 P CB 0.659 32.382 31.700 0.038 0.000 0.984 1224 G N -0.582 108.317 108.800 0.166 0.000 2.699 1224 G HA2 -0.125 3.897 3.960 0.103 0.000 0.246 1224 G HA3 -0.125 3.907 3.960 0.121 0.000 0.246 1224 G C -0.620 174.347 174.900 0.112 0.000 1.219 1224 G CA -0.865 44.310 45.100 0.124 0.000 0.866 1224 G HN -0.286 8.025 8.290 0.211 0.105 0.572 1225 R N 0.284 120.836 120.500 0.088 0.000 2.640 1225 R HA -0.197 4.193 4.340 0.083 0.000 0.270 1225 R C 0.167 176.516 176.300 0.081 0.000 1.024 1225 R CA 0.648 56.798 56.100 0.083 0.000 1.085 1225 R CB 0.152 30.498 30.300 0.077 0.000 0.963 1225 R HN 0.101 8.419 8.270 0.080 0.000 0.426 1226 L N 2.645 123.912 121.223 0.074 0.000 2.410 1226 L HA 0.115 4.581 4.340 -0.008 -0.131 0.273 1226 L C 0.000 176.826 176.870 -0.073 0.000 1.152 1226 L CA 0.117 54.939 54.840 -0.030 0.000 0.855 1226 L CB -0.067 41.937 42.059 -0.092 0.000 1.129 1226 L HN 0.240 8.530 8.230 0.099 0.000 0.463 1227 A N 4.769 127.467 122.820 -0.202 0.000 2.304 1227 A HA 0.427 4.753 4.320 0.010 0.000 0.323 1227 A C -2.007 175.358 177.584 -0.365 0.000 1.195 1227 A CA -1.172 50.781 52.037 -0.140 0.000 0.826 1227 A CB 2.542 21.490 19.000 -0.087 0.000 1.184 1227 A HN 0.443 8.473 8.150 -0.201 0.000 0.496 1228 F N 1.261 121.173 119.950 -0.062 0.000 2.426 1228 F HA 0.556 5.234 4.527 -0.119 -0.223 0.348 1228 F C -0.009 175.748 175.800 -0.071 0.000 1.124 1228 F CA -1.398 56.543 58.000 -0.099 0.000 1.008 1228 F CB 2.067 40.989 39.000 -0.130 0.000 1.139 1228 F HN 0.254 8.709 8.300 0.259 0.000 0.452 1229 N N 5.979 124.709 118.700 0.051 0.000 2.527 1229 N HA 0.243 5.005 4.740 0.038 0.000 0.236 1229 N C -1.497 174.033 175.510 0.033 0.000 0.999 1229 N CA -0.506 52.561 53.050 0.027 0.000 0.935 1229 N CB 1.235 39.712 38.487 -0.017 0.000 1.132 1229 N HN 0.256 8.634 8.380 -0.003 0.000 0.511 1230 V N 4.914 124.853 119.914 0.041 0.000 2.461 1230 V HA -0.083 4.055 4.120 0.030 0.000 0.275 1230 V C -0.387 175.714 176.094 0.010 0.000 1.047 1230 V CA 0.199 62.515 62.300 0.027 0.000 0.955 1230 V CB 0.428 32.263 31.823 0.020 0.000 0.988 1230 V HN 0.631 8.847 8.190 0.042 0.000 0.471 1231 V N 7.270 127.186 119.914 0.004 0.000 2.575 1231 V HA 0.152 4.498 4.120 -0.001 -0.227 0.242 1231 V C 0.212 176.306 176.094 0.000 0.000 1.045 1231 V CA 1.137 63.436 62.300 -0.001 0.000 1.065 1231 V CB 1.210 33.030 31.823 -0.006 0.000 0.717 1231 V HN 0.199 8.391 8.190 0.003 0.000 0.467 1232 S N -2.852 112.848 115.700 0.001 0.000 2.727 1232 S HA 0.251 4.723 4.470 0.004 0.000 0.278 1232 S C 0.489 175.093 174.600 0.007 0.000 1.186 1232 S CA -1.381 56.821 58.200 0.003 0.000 0.836 1232 S CB 1.917 65.118 63.200 0.002 0.000 1.186 1232 S HN -0.606 7.704 8.310 0.001 0.000 0.499 1233 S N -0.382 115.325 115.700 0.011 0.000 2.547 1233 S HA -0.143 4.339 4.470 0.020 0.000 0.235 1233 S C 0.509 175.123 174.600 0.023 0.000 0.980 1233 S CA 1.821 60.033 58.200 0.019 0.000 0.941 1233 S CB -0.490 62.723 63.200 0.022 0.000 0.763 1233 S HN 0.614 8.930 8.310 0.010 0.000 0.532 1234 T N -6.083 108.478 114.554 0.011 0.000 3.087 1234 T HA 0.313 4.669 4.350 0.010 0.000 0.283 1234 T C -1.574 173.113 174.700 -0.021 0.000 0.956 1234 T CA -0.835 61.267 62.100 0.003 0.000 0.894 1234 T CB 1.773 70.647 68.868 0.010 0.000 1.160 1234 T HN -0.504 7.667 8.240 0.007 0.073 0.532 1235 V N 1.428 121.332 119.914 -0.017 0.000 2.686 1235 V HA 0.785 5.102 4.120 -0.039 -0.221 0.306 1235 V C -2.195 173.889 176.094 -0.016 0.000 1.065 1235 V CA -1.249 61.037 62.300 -0.024 0.000 0.894 1235 V CB 3.715 35.527 31.823 -0.017 0.000 1.004 1235 V HN -0.871 7.314 8.190 -0.008 0.000 0.424 1236 T N 5.517 120.059 114.554 -0.020 0.000 2.923 1236 T HA 0.454 4.925 4.350 0.006 -0.117 0.311 1236 T C -2.562 172.126 174.700 -0.020 0.000 1.183 1236 T CA -1.757 60.344 62.100 0.002 0.000 1.020 1236 T CB 2.418 71.316 68.868 0.050 0.000 1.165 1236 T HN 0.687 8.906 8.240 -0.035 0.000 0.482 1237 Q N 6.878 126.663 119.800 -0.026 0.000 2.259 1237 Q HA 0.600 5.059 4.340 -0.066 -0.159 0.249 1237 Q C -1.966 173.958 176.000 -0.125 0.000 0.914 1237 Q CA -0.373 55.390 55.803 -0.066 0.000 0.904 1237 Q CB 2.439 31.135 28.738 -0.070 0.000 1.213 1237 Q HN 0.252 8.514 8.270 -0.014 0.000 0.428 1238 L N 7.009 128.130 121.223 -0.171 0.000 2.362 1238 L HA 0.927 5.109 4.340 -0.556 -0.176 0.275 1238 L C -2.410 174.361 176.870 -0.164 0.000 0.998 1238 L CA -1.682 52.973 54.840 -0.308 0.000 0.820 1238 L CB 3.877 45.785 42.059 -0.253 0.000 1.270 1238 L HN 0.644 8.804 8.230 -0.117 0.000 0.415 1239 S N 3.786 119.365 115.700 -0.202 0.000 2.651 1239 S HA 0.831 5.088 4.470 -0.587 -0.140 0.279 1239 S C -1.985 172.573 174.600 -0.070 0.000 1.148 1239 S CA -1.551 56.463 58.200 -0.310 0.000 0.837 1239 S CB 3.344 66.331 63.200 -0.354 0.000 1.138 1239 S HN 0.579 8.717 8.310 -0.287 0.000 0.478 1240 W N -4.776 116.384 121.300 -0.233 0.000 3.419 1240 W HA 0.458 5.016 4.660 -0.170 0.000 0.298 1240 W C -2.241 174.172 176.519 -0.176 0.000 1.260 1240 W CA -0.727 56.496 57.345 -0.203 0.000 1.199 1240 W CB 1.774 31.101 29.460 -0.223 0.000 1.349 1240 W HN -0.205 7.429 8.180 -0.909 0.000 0.557 1241 A N 0.725 123.580 122.820 0.059 0.000 2.332 1241 A HA 0.059 4.336 4.320 -0.070 0.000 0.258 1241 A C -0.578 177.096 177.584 0.151 0.000 1.087 1241 A CA -1.018 51.033 52.037 0.024 0.000 0.802 1241 A CB 0.907 19.933 19.000 0.043 0.000 1.042 1241 A HN 0.546 8.762 8.150 0.111 0.000 0.489 1242 E N 1.440 121.716 120.200 0.127 0.000 2.437 1242 E HA -0.077 4.509 4.350 0.393 0.000 0.263 1242 E C -1.374 175.359 176.600 0.220 0.000 1.030 1242 E CA -1.819 54.729 56.400 0.247 0.000 0.934 1242 E CB 0.312 30.121 29.700 0.182 0.000 0.943 1242 E HN 0.280 8.677 8.360 0.062 0.000 0.444 1243 P HA -0.151 4.550 4.420 0.172 -0.178 0.264 1243 P C -1.116 176.263 177.300 0.131 0.000 1.183 1243 P CA 0.572 63.780 63.100 0.181 0.000 0.763 1243 P CB 0.442 32.245 31.700 0.172 0.000 0.807 1244 A N 3.660 126.546 122.820 0.110 0.000 1.972 1244 A HA -0.218 4.155 4.320 0.089 0.000 0.219 1244 A C 0.214 177.855 177.584 0.096 0.000 1.169 1244 A CA 1.777 53.870 52.037 0.093 0.000 0.635 1244 A CB 0.357 19.407 19.000 0.083 0.000 0.810 1244 A HN 0.500 8.715 8.150 0.108 0.000 0.446 1245 E N -1.598 118.661 120.200 0.099 0.000 2.207 1245 E HA 0.264 4.679 4.350 0.109 0.000 0.250 1245 E C -0.445 176.209 176.600 0.089 0.000 0.890 1245 E CA -0.721 55.741 56.400 0.102 0.000 0.749 1245 E CB 0.441 30.204 29.700 0.105 0.000 1.193 1245 E HN -0.774 7.639 8.360 0.097 0.005 0.423 1246 T N 0.845 115.448 114.554 0.083 0.000 2.985 1246 T HA -0.214 4.162 4.350 0.045 0.000 0.266 1246 T C -0.482 174.232 174.700 0.024 0.000 1.076 1246 T CA 1.710 63.839 62.100 0.050 0.000 1.135 1246 T CB 0.351 69.246 68.868 0.045 0.000 0.890 1246 T HN 0.378 8.671 8.240 0.088 0.000 0.480 1247 N N -1.467 117.275 118.700 0.071 0.000 2.693 1247 N HA -0.300 4.530 4.740 0.149 0.000 0.249 1247 N C -1.235 174.284 175.510 0.015 0.000 1.119 1247 N CA 0.802 53.904 53.050 0.087 0.000 0.717 1247 N CB -1.230 37.300 38.487 0.071 0.000 1.071 1247 N HN -0.043 8.397 8.380 0.099 0.000 0.555 1248 G N -5.501 103.274 108.800 -0.041 0.000 2.350 1248 G HA2 -0.124 3.324 3.960 -0.798 0.000 0.276 1248 G HA3 -0.124 3.742 3.960 -0.468 -0.187 0.276 1248 G C -2.957 171.804 174.900 -0.231 0.000 1.313 1248 G CA -0.090 44.772 45.100 -0.398 0.000 0.903 1248 G HN -0.950 7.348 8.290 0.040 0.016 0.490 1249 E N 0.078 120.090 120.200 -0.312 0.000 2.156 1249 E HA 0.322 4.627 4.350 -0.076 0.000 0.279 1249 E C -0.555 175.940 176.600 -0.175 0.000 0.965 1249 E CA -1.665 54.648 56.400 -0.145 0.000 0.789 1249 E CB 1.926 31.573 29.700 -0.087 0.000 1.098 1249 E HN -0.260 7.977 8.360 -0.464 -0.156 0.397 1250 I N 5.184 125.670 120.570 -0.139 0.000 2.452 1250 I HA -0.065 4.123 4.170 -0.266 -0.177 0.287 1250 I C 0.395 176.386 176.117 -0.210 0.000 1.079 1250 I CA 0.223 61.395 61.300 -0.213 0.000 1.387 1250 I CB 0.249 38.124 38.000 -0.208 0.000 1.404 1250 I HN 0.527 8.683 8.210 -0.090 0.000 0.522 1251 T N 2.949 117.340 114.554 -0.272 0.000 3.014 1251 T HA 0.088 4.352 4.350 -0.143 0.000 0.250 1251 T C -0.650 173.926 174.700 -0.206 0.000 1.060 1251 T CA -0.700 61.276 62.100 -0.208 0.000 1.040 1251 T CB 1.208 69.954 68.868 -0.203 0.000 0.971 1251 T HN 0.205 8.244 8.240 -0.335 0.000 0.497 1252 A N 0.803 123.420 122.820 -0.337 0.000 2.605 1252 A HA 0.252 4.666 4.320 -0.051 -0.124 0.294 1252 A C -3.221 174.175 177.584 -0.314 0.000 1.062 1252 A CA 0.151 52.077 52.037 -0.186 0.000 0.682 1252 A CB 2.211 21.191 19.000 -0.034 0.000 1.278 1252 A HN -0.900 6.968 8.150 -0.471 0.000 0.410 1253 Y N -0.707 119.768 120.300 0.292 0.000 2.528 1253 Y HA 0.706 5.673 4.550 0.400 -0.177 0.335 1253 Y C -0.132 175.986 175.900 0.362 0.000 1.093 1253 Y CA -1.217 57.098 58.100 0.359 0.000 1.134 1253 Y CB 3.581 42.258 38.460 0.362 0.000 1.253 1253 Y HN 0.135 8.623 8.280 0.346 0.000 0.478 1254 E N 0.875 121.286 120.200 0.351 0.000 2.246 1254 E HA 0.338 4.763 4.350 0.127 0.000 0.266 1254 E C -1.841 174.724 176.600 -0.059 0.000 0.880 1254 E CA -1.789 54.644 56.400 0.056 0.000 0.762 1254 E CB 3.804 33.316 29.700 -0.314 0.000 1.180 1254 E HN 0.215 8.780 8.360 0.342 0.000 0.416 1255 V N 7.361 127.261 119.914 -0.024 0.000 2.427 1255 V HA 0.572 4.828 4.120 -0.118 -0.207 0.286 1255 V C -0.708 175.409 176.094 0.040 0.000 1.034 1255 V CA -1.137 61.144 62.300 -0.032 0.000 0.893 1255 V CB 1.695 33.548 31.823 0.051 0.000 0.982 1255 V HN 0.489 8.706 8.190 0.044 0.000 0.452 1256 C N 5.432 124.753 119.300 0.034 0.000 2.562 1256 C HA 0.983 5.621 4.460 0.013 -0.170 0.332 1256 C C -1.153 173.914 174.990 0.129 0.000 1.201 1256 C CA -2.392 56.639 59.018 0.022 0.000 1.803 1256 C CB 3.627 31.317 27.740 -0.084 0.000 2.328 1256 C HN 0.297 8.532 8.230 0.009 0.000 0.500 1257 Y N -2.588 117.686 120.300 -0.043 0.000 2.581 1257 Y HA 1.075 5.722 4.550 -0.188 -0.210 0.337 1257 Y C -2.332 173.531 175.900 -0.061 0.000 1.108 1257 Y CA -2.395 55.623 58.100 -0.135 0.000 1.033 1257 Y CB 2.793 41.111 38.460 -0.236 0.000 1.318 1257 Y HN 0.607 8.653 8.280 -0.389 0.000 0.459 1258 G N -2.386 106.423 108.800 0.016 0.000 2.667 1258 G HA2 0.318 4.281 3.960 0.006 0.000 0.294 1258 G HA3 0.318 4.213 3.960 -0.108 0.000 0.294 1258 G C -2.878 171.990 174.900 -0.053 0.000 1.467 1258 G CA -0.182 44.911 45.100 -0.012 0.000 0.852 1258 G HN -0.053 8.267 8.290 0.050 0.000 0.521 1259 L N 1.492 122.569 121.223 -0.243 0.000 2.485 1259 L HA 0.163 4.116 4.340 -0.874 -0.137 0.275 1259 L C 0.366 177.077 176.870 -0.264 0.000 1.207 1259 L CA 0.965 55.508 54.840 -0.494 0.000 0.855 1259 L CB 0.401 42.222 42.059 -0.397 0.000 1.114 1259 L HN 0.440 8.569 8.230 -0.167 0.000 0.485 1260 V N -4.532 115.234 119.914 -0.247 0.000 3.102 1260 V HA 0.769 4.989 4.120 -0.121 -0.173 0.312 1260 V C -1.835 174.185 176.094 -0.123 0.000 1.135 1260 V CA -2.900 59.317 62.300 -0.138 0.000 1.022 1260 V CB 3.422 35.193 31.823 -0.086 0.000 1.056 1260 V HN -0.241 7.766 8.190 -0.305 0.000 0.436 1261 N N -0.590 118.060 118.700 -0.083 0.000 2.607 1261 N HA -0.035 4.663 4.740 -0.071 0.000 0.284 1261 N C 0.268 175.750 175.510 -0.046 0.000 1.365 1261 N CA -0.245 52.766 53.050 -0.064 0.000 0.862 1261 N CB 0.507 38.963 38.487 -0.051 0.000 1.107 1261 N HN -0.081 8.255 8.380 -0.073 0.000 0.463 1262 D N -2.757 117.624 120.400 -0.033 0.000 2.324 1262 D HA -0.018 4.609 4.640 -0.022 0.000 0.212 1262 D C 0.057 176.347 176.300 -0.017 0.000 0.984 1262 D CA 2.491 56.478 54.000 -0.022 0.000 0.885 1262 D CB 0.350 41.139 40.800 -0.018 0.000 0.996 1262 D HN 0.225 8.576 8.370 -0.032 0.000 0.505 1263 D N -0.916 119.473 120.400 -0.019 0.000 2.395 1263 D HA 0.095 4.729 4.640 -0.010 0.000 0.250 1263 D C -0.865 175.426 176.300 -0.015 0.000 1.203 1263 D CA -0.412 53.579 54.000 -0.015 0.000 0.872 1263 D CB -1.477 39.314 40.800 -0.015 0.000 0.941 1263 D HN -0.474 8.008 8.370 -0.022 -0.124 0.504 1264 N N -2.822 115.867 118.700 -0.017 0.000 2.708 1264 N HA -0.534 4.195 4.740 -0.020 0.000 0.249 1264 N C -1.602 173.892 175.510 -0.027 0.000 1.097 1264 N CA 1.072 54.112 53.050 -0.017 0.000 0.710 1264 N CB -0.547 37.938 38.487 -0.004 0.000 1.032 1264 N HN -0.065 8.220 8.380 -0.018 0.085 0.551 1265 R N -1.010 119.469 120.500 -0.034 0.000 2.221 1265 R HA 0.378 4.697 4.340 -0.034 0.000 0.327 1265 R C -2.518 173.749 176.300 -0.054 0.000 1.033 1265 R CA -3.056 53.021 56.100 -0.038 0.000 0.887 1265 R CB 0.761 31.040 30.300 -0.035 0.000 1.057 1265 R HN -0.607 7.910 8.270 -0.035 -0.268 0.455 1266 P HA 0.052 4.597 4.420 -0.084 -0.176 0.268 1266 P C -0.756 176.499 177.300 -0.074 0.000 1.204 1266 P CA 0.091 63.148 63.100 -0.072 0.000 0.768 1266 P CB 0.546 32.206 31.700 -0.066 0.000 0.842 1267 I N 5.476 125.990 120.570 -0.093 0.000 2.347 1267 I HA -0.025 4.103 4.170 -0.070 0.000 0.283 1267 I C -0.604 175.463 176.117 -0.083 0.000 1.058 1267 I CA -0.397 60.852 61.300 -0.085 0.000 1.202 1267 I CB -0.504 37.436 38.000 -0.100 0.000 1.386 1267 I HN -0.135 7.901 8.210 -0.112 0.106 0.475 1268 G N 6.063 114.822 108.800 -0.068 0.000 2.760 1268 G HA2 -0.232 3.695 3.960 -0.056 0.000 0.246 1268 G HA3 -0.232 3.691 3.960 -0.063 0.000 0.246 1268 G C -2.981 171.874 174.900 -0.075 0.000 1.359 1268 G CA -1.108 43.954 45.100 -0.064 0.000 0.861 1268 G HN -0.106 8.147 8.290 -0.061 0.000 0.541 1269 P HA 0.127 4.496 4.420 -0.086 0.000 0.277 1269 P C -1.068 176.156 177.300 -0.127 0.000 1.240 1269 P CA -0.689 62.355 63.100 -0.092 0.000 0.798 1269 P CB 0.784 32.434 31.700 -0.085 0.000 0.979 1270 M N 0.260 119.776 119.600 -0.141 0.000 2.250 1270 M HA -0.155 4.300 4.480 -0.227 -0.111 0.325 1270 M C 0.438 176.583 176.300 -0.258 0.000 1.084 1270 M CA -0.302 54.877 55.300 -0.202 0.000 1.161 1270 M CB 0.515 33.016 32.600 -0.166 0.000 1.481 1270 M HN 0.029 8.246 8.290 -0.121 0.000 0.449 1271 K N 1.791 121.926 120.400 -0.441 0.000 2.164 1271 K HA 0.336 4.494 4.320 -0.271 0.000 0.258 1271 K C -1.580 174.818 176.600 -0.337 0.000 0.951 1271 K CA -1.133 54.899 56.287 -0.425 0.000 0.844 1271 K CB 1.902 34.025 32.500 -0.628 0.000 1.099 1271 K HN 0.544 8.425 8.250 -0.615 0.000 0.435 1272 K N 1.826 122.124 120.400 -0.171 0.000 2.138 1272 K HA 0.331 4.731 4.320 -0.078 -0.126 0.263 1272 K C -0.426 176.180 176.600 0.010 0.000 0.965 1272 K CA -1.033 55.204 56.287 -0.084 0.000 0.868 1272 K CB 1.837 34.278 32.500 -0.098 0.000 1.083 1272 K HN 0.158 8.321 8.250 -0.144 0.000 0.443 1273 V N 3.246 123.207 119.914 0.078 0.000 2.407 1273 V HA 0.011 4.213 4.120 0.137 0.000 0.278 1273 V C -0.651 175.500 176.094 0.095 0.000 1.037 1273 V CA -0.326 62.052 62.300 0.129 0.000 0.900 1273 V CB 0.847 32.783 31.823 0.187 0.000 0.983 1273 V HN -0.147 8.087 8.190 0.073 0.000 0.459 1274 L N 6.720 127.995 121.223 0.087 0.000 2.295 1274 L HA 0.286 4.678 4.340 0.087 0.000 0.285 1274 L C -0.141 176.784 176.870 0.091 0.000 1.035 1274 L CA -0.623 54.266 54.840 0.082 0.000 0.806 1274 L CB 0.440 42.536 42.059 0.062 0.000 1.214 1274 L HN 0.235 8.516 8.230 0.085 0.000 0.426 1275 V N -1.806 118.169 119.914 0.101 0.000 3.078 1275 V HA 0.314 4.483 4.120 0.083 0.000 0.311 1275 V C -0.662 175.483 176.094 0.086 0.000 1.138 1275 V CA -2.249 60.108 62.300 0.096 0.000 1.007 1275 V CB 3.192 35.086 31.823 0.118 0.000 1.045 1275 V HN -0.232 8.023 8.190 0.109 0.000 0.432 1276 D N 0.053 120.495 120.400 0.070 0.000 2.117 1276 D HA -0.149 4.523 4.640 0.054 0.000 0.197 1276 D C -0.384 175.954 176.300 0.064 0.000 0.987 1276 D CA 1.970 56.005 54.000 0.058 0.000 0.829 1276 D CB 0.391 41.218 40.800 0.045 0.000 0.961 1276 D HN 0.103 8.512 8.370 0.065 0.000 0.460 1277 N N -1.583 117.162 118.700 0.075 0.000 2.696 1277 N HA 0.212 4.995 4.740 0.072 0.000 0.246 1277 N C -1.652 173.933 175.510 0.125 0.000 1.057 1277 N CA -3.186 49.912 53.050 0.081 0.000 0.867 1277 N CB 0.560 39.084 38.487 0.061 0.000 1.141 1277 N HN -0.095 8.332 8.380 0.078 0.000 0.517 1278 P HA 0.015 4.589 4.420 0.256 0.000 0.239 1278 P C 0.122 177.599 177.300 0.295 0.000 1.184 1278 P CA 0.723 63.957 63.100 0.223 0.000 0.760 1278 P CB 0.109 31.927 31.700 0.198 0.000 0.884 1279 K N -2.145 118.385 120.400 0.217 0.000 2.361 1279 K HA -0.133 4.375 4.320 0.312 0.000 0.196 1279 K C -0.188 176.594 176.600 0.304 0.000 1.039 1279 K CA 0.893 57.337 56.287 0.262 0.000 1.001 1279 K CB -0.196 32.379 32.500 0.125 0.000 0.795 1279 K HN -0.491 8.054 8.250 0.154 -0.202 0.495 1280 N N 0.062 118.873 118.700 0.185 0.000 2.395 1280 N HA -0.210 4.519 4.740 -0.020 0.000 0.246 1280 N C -0.543 174.909 175.510 -0.097 0.000 1.246 1280 N CA 0.922 53.991 53.050 0.031 0.000 0.879 1280 N CB 0.574 39.059 38.487 -0.003 0.000 1.098 1280 N HN -0.892 7.589 8.380 0.169 0.000 0.444 1281 R N -0.741 119.467 120.500 -0.487 0.000 2.694 1281 R HA 0.106 3.360 4.340 -1.810 0.000 0.334 1281 R C -1.900 173.431 176.300 -1.616 0.000 1.143 1281 R CA -0.299 54.976 56.100 -1.374 0.000 1.073 1281 R CB -0.090 29.535 30.300 -1.125 0.000 1.366 1281 R HN 0.418 8.450 8.270 -0.397 0.000 0.577 1282 M N -5.239 113.806 119.600 -0.926 0.000 2.534 1282 M HA 0.857 5.075 4.480 -0.733 -0.177 0.280 1282 M C -2.314 173.882 176.300 -0.173 0.000 1.217 1282 M CA -0.811 54.142 55.300 -0.579 0.000 0.893 1282 M CB 3.765 36.129 32.600 -0.395 0.000 1.730 1282 M HN -0.881 6.994 8.290 -0.582 0.065 0.483 1283 L N 0.715 121.913 121.223 -0.041 0.000 2.472 1283 L HA 0.474 4.831 4.340 0.028 0.000 0.260 1283 L C -2.849 174.014 176.870 -0.010 0.000 0.963 1283 L CA -0.717 54.147 54.840 0.040 0.000 0.829 1283 L CB 5.011 47.168 42.059 0.163 0.000 1.348 1283 L HN 0.654 8.849 8.230 -0.059 0.000 0.408 1284 L N 4.532 125.747 121.223 -0.014 0.000 2.295 1284 L HA 0.535 4.973 4.340 -0.040 -0.123 0.285 1284 L C -2.046 174.802 176.870 -0.036 0.000 1.035 1284 L CA -1.493 53.328 54.840 -0.030 0.000 0.806 1284 L CB 2.922 44.964 42.059 -0.028 0.000 1.214 1284 L HN 0.190 8.417 8.230 -0.005 0.000 0.426 1285 I N 5.373 125.908 120.570 -0.059 0.000 2.410 1285 I HA 0.527 4.797 4.170 -0.110 -0.166 0.286 1285 I C -1.758 174.301 176.117 -0.097 0.000 1.009 1285 I CA -1.137 60.098 61.300 -0.108 0.000 1.111 1285 I CB 1.789 39.690 38.000 -0.165 0.000 1.262 1285 I HN 0.911 9.088 8.210 -0.055 0.000 0.443 1286 E N 6.515 126.664 120.200 -0.085 0.000 2.299 1286 E HA 0.526 4.977 4.350 -0.053 -0.134 0.260 1286 E C -0.535 176.031 176.600 -0.058 0.000 0.944 1286 E CA -2.644 53.722 56.400 -0.056 0.000 0.815 1286 E CB 3.182 32.865 29.700 -0.029 0.000 1.252 1286 E HN 0.418 8.728 8.360 -0.083 0.000 0.418 1287 N N -2.232 116.450 118.700 -0.030 0.000 2.747 1287 N HA -0.435 4.309 4.740 0.006 0.000 0.249 1287 N C -0.638 174.869 175.510 -0.004 0.000 1.107 1287 N CA 0.886 53.933 53.050 -0.005 0.000 0.707 1287 N CB -0.937 37.557 38.487 0.011 0.000 1.054 1287 N HN 0.444 8.811 8.380 -0.022 0.000 0.555 1288 L N -3.331 117.865 121.223 -0.046 0.000 2.452 1288 L HA -0.211 4.097 4.340 -0.053 0.000 0.267 1288 L C 0.445 177.378 176.870 0.106 0.000 1.188 1288 L CA 0.574 55.384 54.840 -0.050 0.000 0.821 1288 L CB 0.611 42.541 42.059 -0.215 0.000 1.102 1288 L HN -0.510 7.654 8.230 -0.065 0.027 0.470 1289 R N 0.877 121.543 120.500 0.276 0.000 2.449 1289 R HA -0.114 4.312 4.340 0.143 0.000 0.296 1289 R C -0.188 176.224 176.300 0.185 0.000 1.047 1289 R CA -0.078 56.151 56.100 0.215 0.000 1.018 1289 R CB 0.498 30.916 30.300 0.197 0.000 0.962 1289 R HN -0.039 8.508 8.270 0.462 0.000 0.428 1290 E N 5.256 125.519 120.200 0.105 0.000 2.414 1290 E HA -0.284 4.115 4.350 0.081 0.000 0.263 1290 E C -0.004 176.638 176.600 0.070 0.000 1.000 1290 E CA 1.298 57.745 56.400 0.078 0.000 0.914 1290 E CB 0.468 30.198 29.700 0.049 0.000 0.948 1290 E HN 0.227 8.638 8.360 0.086 0.000 0.444 1291 S N -0.813 114.926 115.700 0.065 0.000 3.641 1291 S HA -0.487 4.134 4.470 0.043 -0.125 0.346 1291 S C -1.348 173.275 174.600 0.039 0.000 1.074 1291 S CA 0.851 59.077 58.200 0.044 0.000 1.026 1291 S CB -0.963 62.253 63.200 0.026 0.000 0.908 1291 S HN 0.596 8.946 8.310 0.068 0.000 0.479 1292 Q N 0.063 119.905 119.800 0.070 0.000 2.304 1292 Q HA 0.443 4.769 4.340 -0.022 0.000 0.270 1292 Q C -2.559 173.465 176.000 0.039 0.000 1.035 1292 Q CA -3.411 52.400 55.803 0.014 0.000 0.781 1292 Q CB 2.348 31.074 28.738 -0.020 0.000 1.261 1292 Q HN -0.737 7.591 8.270 0.117 0.012 0.444 1293 P HA 0.112 4.738 4.420 0.111 -0.139 0.278 1293 P C -1.663 175.595 177.300 -0.070 0.000 1.238 1293 P CA -0.674 62.439 63.100 0.022 0.000 0.794 1293 P CB 0.809 32.501 31.700 -0.012 0.000 0.955 1294 Y N -0.064 120.226 120.300 -0.016 0.000 2.524 1294 Y HA 0.399 5.014 4.550 -0.112 -0.132 0.344 1294 Y C -1.015 174.802 175.900 -0.137 0.000 1.012 1294 Y CA -1.254 56.769 58.100 -0.129 0.000 1.068 1294 Y CB 4.586 42.862 38.460 -0.307 0.000 1.249 1294 Y HN 0.428 8.911 8.280 0.339 0.000 0.468 1295 R N 0.859 121.343 120.500 -0.026 0.000 2.368 1295 R HA 0.522 5.098 4.340 0.120 -0.164 0.302 1295 R C -1.765 174.469 176.300 -0.110 0.000 1.002 1295 R CA -1.450 54.659 56.100 0.016 0.000 0.929 1295 R CB 2.738 33.042 30.300 0.007 0.000 1.073 1295 R HN 0.310 8.553 8.270 -0.046 0.000 0.464 1296 Y N 4.668 125.099 120.300 0.217 0.000 2.409 1296 Y HA 0.755 5.626 4.550 0.235 -0.180 0.343 1296 Y C -0.380 175.592 175.900 0.119 0.000 0.973 1296 Y CA -1.956 56.278 58.100 0.223 0.000 1.064 1296 Y CB 3.749 42.408 38.460 0.332 0.000 1.207 1296 Y HN 0.554 9.097 8.280 0.437 0.000 0.452 1297 T N -1.571 113.089 114.554 0.177 0.000 2.907 1297 T HA 1.012 5.616 4.350 0.065 -0.215 0.292 1297 T C -1.053 173.610 174.700 -0.061 0.000 1.043 1297 T CA -2.765 59.365 62.100 0.050 0.000 1.003 1297 T CB 3.285 72.155 68.868 0.004 0.000 1.084 1297 T HN 0.735 9.073 8.240 0.163 0.000 0.483 1298 V N 2.188 122.008 119.914 -0.156 0.000 2.686 1298 V HA 0.894 5.066 4.120 -0.297 -0.231 0.306 1298 V C -1.667 174.336 176.094 -0.152 0.000 1.065 1298 V CA -1.656 60.452 62.300 -0.319 0.000 0.894 1298 V CB 3.474 34.810 31.823 -0.812 0.000 1.004 1298 V HN 0.440 8.560 8.190 -0.116 0.000 0.424 1299 K N 3.424 123.804 120.400 -0.034 0.000 2.400 1299 K HA 0.615 5.006 4.320 0.118 0.000 0.246 1299 K C -2.183 174.649 176.600 0.387 0.000 0.995 1299 K CA -2.696 53.680 56.287 0.148 0.000 0.840 1299 K CB 4.182 36.769 32.500 0.145 0.000 1.293 1299 K HN 0.072 8.297 8.250 -0.041 0.000 0.445 1300 A N -1.359 121.671 122.820 0.350 0.000 2.356 1300 A HA 0.746 5.222 4.320 0.025 -0.140 0.323 1300 A C -2.035 175.469 177.584 -0.132 0.000 1.119 1300 A CA -2.040 50.055 52.037 0.096 0.000 0.790 1300 A CB 3.779 22.782 19.000 0.004 0.000 1.273 1300 A HN 0.507 8.827 8.150 0.282 0.000 0.452 1301 R N -0.170 119.930 120.500 -0.668 0.000 2.740 1301 R HA 0.964 5.024 4.340 -0.805 -0.204 0.282 1301 R C -1.610 174.328 176.300 -0.604 0.000 0.969 1301 R CA -2.112 53.398 56.100 -0.983 0.000 0.918 1301 R CB 4.243 33.348 30.300 -1.991 0.000 1.175 1301 R HN 0.275 8.128 8.270 -0.695 0.000 0.464 1302 N N 2.592 121.007 118.700 -0.475 0.000 3.343 1302 N HA 0.450 5.073 4.740 -0.354 -0.096 0.330 1302 N C 1.121 176.435 175.510 -0.328 0.000 1.560 1302 N CA -1.446 51.391 53.050 -0.356 0.000 0.752 1302 N CB 1.596 39.910 38.487 -0.288 0.000 1.863 1302 N HN -0.019 8.084 8.380 -0.462 0.000 0.636 1303 G N -2.023 106.607 108.800 -0.283 0.000 2.479 1303 G HA2 -0.264 3.572 3.960 -0.208 0.000 0.220 1303 G HA3 -0.264 3.563 3.960 -0.222 0.000 0.220 1303 G C 0.124 174.911 174.900 -0.190 0.000 1.115 1303 G CA 1.950 46.914 45.100 -0.226 0.000 0.757 1303 G HN 0.152 8.420 8.290 -0.306 -0.162 0.560 1304 A N -0.803 121.905 122.820 -0.186 0.000 2.238 1304 A HA 0.034 4.286 4.320 -0.115 0.000 0.210 1304 A C -0.654 176.857 177.584 -0.122 0.000 1.179 1304 A CA -0.129 51.831 52.037 -0.128 0.000 0.827 1304 A CB 0.887 19.835 19.000 -0.088 0.000 0.856 1304 A HN -0.475 7.820 8.150 -0.207 -0.269 0.488 1305 G N -1.619 107.061 108.800 -0.201 0.000 2.342 1305 G HA2 -0.170 3.596 3.960 -0.323 0.000 0.220 1305 G HA3 -0.170 3.733 3.960 -0.096 0.000 0.220 1305 G C -2.430 172.296 174.900 -0.290 0.000 1.243 1305 G CA -0.732 44.230 45.100 -0.229 0.000 1.083 1305 G HN -0.502 7.566 8.290 -0.257 0.068 0.500 1306 W N 2.218 123.494 121.300 -0.041 0.000 2.351 1306 W HA 0.353 5.152 4.660 -0.049 -0.169 0.311 1306 W C 0.565 177.068 176.519 -0.026 0.000 1.168 1306 W CA -0.013 57.309 57.345 -0.039 0.000 1.200 1306 W CB 0.846 30.286 29.460 -0.032 0.000 1.221 1306 W HN 0.025 8.331 8.180 0.210 0.000 0.519 1307 G N 4.176 113.101 108.800 0.208 0.000 2.525 1307 G HA2 0.285 4.311 3.960 0.111 0.000 0.287 1307 G HA3 0.285 4.480 3.960 0.107 -0.171 0.287 1307 G C -2.284 172.703 174.900 0.144 0.000 1.350 1307 G CA -1.064 44.120 45.100 0.140 0.000 1.039 1307 G HN 0.196 8.600 8.290 0.191 0.000 0.513 1308 P HA 0.025 4.481 4.420 0.060 0.000 0.272 1308 P C -1.357 175.982 177.300 0.067 0.000 1.223 1308 P CA -0.269 62.873 63.100 0.070 0.000 0.784 1308 P CB 0.920 32.654 31.700 0.057 0.000 0.923 1309 E N -0.331 119.893 120.200 0.039 0.000 2.277 1309 E HA 0.208 4.745 4.350 0.017 -0.177 0.274 1309 E C -0.339 176.274 176.600 0.022 0.000 1.022 1309 E CA -0.750 55.662 56.400 0.019 0.000 0.853 1309 E CB 1.433 31.131 29.700 -0.004 0.000 1.086 1309 E HN 0.053 8.431 8.360 0.031 0.000 0.397 1310 R N 3.553 124.057 120.500 0.006 0.000 2.312 1310 R HA 0.214 4.576 4.340 0.038 0.000 0.311 1310 R C -1.847 174.474 176.300 0.034 0.000 1.004 1310 R CA -1.468 54.645 56.100 0.022 0.000 0.902 1310 R CB 2.014 32.320 30.300 0.010 0.000 1.073 1310 R HN 0.518 8.777 8.270 -0.018 0.000 0.457 1311 E N 6.126 126.367 120.200 0.068 0.000 2.256 1311 E HA 0.830 5.452 4.350 0.116 -0.202 0.267 1311 E C -1.534 175.159 176.600 0.155 0.000 0.892 1311 E CA -1.865 54.597 56.400 0.104 0.000 0.775 1311 E CB 3.287 33.032 29.700 0.075 0.000 1.207 1311 E HN 0.352 8.753 8.360 0.068 0.000 0.420 1312 A N 4.495 127.460 122.820 0.243 0.000 2.549 1312 A HA 0.446 4.879 4.320 0.189 0.000 0.297 1312 A C -2.851 174.896 177.584 0.272 0.000 1.061 1312 A CA -0.752 51.445 52.037 0.267 0.000 0.690 1312 A CB 3.563 22.811 19.000 0.413 0.000 1.287 1312 A HN 0.668 8.992 8.150 0.291 0.000 0.402 1313 I N 1.870 122.529 120.570 0.148 0.000 2.436 1313 I HA 0.889 5.367 4.170 0.179 -0.201 0.289 1313 I C -0.818 175.314 176.117 0.024 0.000 1.010 1313 I CA -1.151 60.218 61.300 0.115 0.000 1.098 1313 I CB 2.498 40.538 38.000 0.065 0.000 1.266 1313 I HN 0.228 8.502 8.210 0.107 0.000 0.434 1314 I N 6.277 126.865 120.570 0.029 0.000 2.841 1314 I HA 0.297 4.412 4.170 -0.091 0.000 0.298 1314 I C -3.099 173.031 176.117 0.021 0.000 1.304 1314 I CA -1.143 60.095 61.300 -0.103 0.000 1.019 1314 I CB 4.314 42.013 38.000 -0.503 0.000 1.282 1314 I HN 0.503 8.804 8.210 0.152 0.000 0.432 1315 N N 5.049 123.746 118.700 -0.005 0.000 2.442 1315 N HA 0.315 5.123 4.740 0.113 0.000 0.274 1315 N C 0.773 176.291 175.510 0.013 0.000 1.002 1315 N CA -1.288 51.790 53.050 0.047 0.000 0.910 1315 N CB 0.759 39.265 38.487 0.031 0.000 1.244 1315 N HN 0.460 8.817 8.380 -0.039 0.000 0.492 1316 L N 5.318 126.561 121.223 0.034 0.000 2.265 1316 L HA -0.250 4.076 4.340 -0.024 0.000 0.215 1316 L C 1.031 177.906 176.870 0.008 0.000 1.117 1316 L CA 2.363 57.206 54.840 0.006 0.000 0.782 1316 L CB -0.538 41.532 42.059 0.019 0.000 0.914 1316 L HN 0.830 9.105 8.230 0.077 0.000 0.441 1317 A N -2.578 120.253 122.820 0.020 0.000 2.019 1317 A HA -0.276 4.053 4.320 0.015 0.000 0.219 1317 A C 1.070 178.657 177.584 0.006 0.000 1.164 1317 A CA 2.338 54.384 52.037 0.015 0.000 0.644 1317 A CB -0.165 18.846 19.000 0.020 0.000 0.805 1317 A HN -0.518 7.864 8.150 0.031 -0.214 0.449 1318 T N -6.041 108.513 114.554 -0.000 0.000 3.086 1318 T HA -0.057 4.292 4.350 -0.001 0.000 0.250 1318 T C 0.549 175.244 174.700 -0.008 0.000 1.074 1318 T CA -0.473 61.625 62.100 -0.004 0.000 0.988 1318 T CB 0.389 69.252 68.868 -0.007 0.000 0.988 1318 T HN -0.677 7.531 8.240 -0.002 0.030 0.530 1319 Q N 2.754 122.547 119.800 -0.011 0.000 2.256 1319 Q HA 0.486 4.820 4.340 -0.011 0.000 0.257 1319 Q C -2.078 173.921 176.000 -0.002 0.000 0.936 1319 Q CA -3.355 52.441 55.803 -0.011 0.000 0.903 1319 Q CB 0.396 29.120 28.738 -0.022 0.000 1.263 1319 Q HN -0.451 7.640 8.270 -0.009 0.174 0.440 1320 P HA -0.064 4.357 4.420 0.003 0.000 0.269 1320 P C -1.498 175.805 177.300 0.005 0.000 1.209 1320 P CA -0.283 62.820 63.100 0.004 0.000 0.776 1320 P CB 0.944 32.647 31.700 0.005 0.000 0.876 1321 K N 0.626 121.028 120.400 0.004 0.000 2.164 1321 K HA 0.384 4.898 4.320 0.005 -0.191 0.258 1321 K C -0.216 176.385 176.600 0.003 0.000 0.951 1321 K CA -1.870 54.419 56.287 0.004 0.000 0.844 1321 K CB 1.963 34.465 32.500 0.003 0.000 1.099 1321 K HN -0.026 8.226 8.250 0.004 0.000 0.435 1322 R N 2.606 123.107 120.500 0.002 0.000 2.574 1322 R HA 0.492 4.831 4.340 -0.001 0.000 0.288 1322 R C -2.346 173.952 176.300 -0.004 0.000 1.004 1322 R CA -2.929 53.170 56.100 -0.001 0.000 0.895 1322 R CB 2.471 32.770 30.300 -0.002 0.000 1.191 1322 R HN 0.366 8.637 8.270 0.002 0.000 0.444 1323 P HA 0.058 4.474 4.420 -0.006 0.000 0.269 1323 P C -1.182 176.112 177.300 -0.010 0.000 1.215 1323 P CA 0.036 63.133 63.100 -0.007 0.000 0.780 1323 P CB 0.528 32.225 31.700 -0.006 0.000 0.898 1324 M N -0.849 118.744 119.600 -0.012 0.000 2.619 1324 M HA 0.266 4.736 4.480 -0.016 0.000 0.297 1324 M C -1.553 174.738 176.300 -0.015 0.000 1.229 1324 M CA -0.805 54.485 55.300 -0.016 0.000 0.860 1324 M CB 3.155 35.743 32.600 -0.021 0.000 1.741 1324 M HN -0.280 8.003 8.290 -0.011 0.000 0.462 1325 S N 1.879 117.569 115.700 -0.017 0.000 2.442 1325 S HA 0.363 4.825 4.470 -0.014 0.000 0.297 1325 S C -1.174 173.415 174.600 -0.018 0.000 1.131 1325 S CA -0.279 57.912 58.200 -0.016 0.000 1.092 1325 S CB 0.491 63.681 63.200 -0.016 0.000 0.998 1325 S HN 0.230 8.528 8.310 -0.019 0.000 0.478 1326 I N 5.374 125.935 120.570 -0.016 0.000 2.389 1326 I HA 0.358 4.516 4.170 -0.019 0.000 0.288 1326 I C -2.044 174.066 176.117 -0.013 0.000 0.999 1326 I CA -2.834 58.457 61.300 -0.016 0.000 1.129 1326 I CB 0.737 38.728 38.000 -0.015 0.000 1.288 1326 I HN 0.144 8.346 8.210 -0.013 0.000 0.444 1327 P HA 0.117 4.531 4.420 -0.010 0.000 0.271 1327 P C -1.425 175.870 177.300 -0.009 0.000 1.216 1327 P CA -0.407 62.686 63.100 -0.011 0.000 0.776 1327 P CB 0.804 32.497 31.700 -0.013 0.000 0.881 1328 I N 3.765 124.331 120.570 -0.006 0.000 2.227 1328 I HA 0.043 4.211 4.170 -0.004 0.000 0.297 1328 I C -0.464 175.651 176.117 -0.003 0.000 1.173 1328 I CA 0.274 61.571 61.300 -0.004 0.000 1.356 1328 I CB -1.267 36.731 38.000 -0.003 0.000 1.485 1328 I HN 0.138 8.344 8.210 -0.006 0.000 0.604 1329 I N 2.052 122.620 120.570 -0.003 0.000 3.102 1329 I HA 0.608 4.777 4.170 -0.001 0.000 0.310 1329 I C -2.769 173.348 176.117 0.000 0.000 1.246 1329 I CA -3.630 57.669 61.300 -0.002 0.000 0.979 1329 I CB 1.072 39.069 38.000 -0.004 0.000 1.267 1329 I HN -0.473 7.735 8.210 -0.003 0.000 0.451 1330 P HA 0.115 4.539 4.420 0.005 0.000 0.272 1330 P C -1.189 176.114 177.300 0.006 0.000 1.223 1330 P CA 0.554 63.657 63.100 0.005 0.000 0.784 1330 P CB 0.227 31.931 31.700 0.006 0.000 0.923 1331 D N -3.425 116.980 120.400 0.009 0.000 3.099 1331 D HA -0.268 4.381 4.640 0.016 0.000 0.213 1331 D C -0.207 176.099 176.300 0.011 0.000 1.121 1331 D CA 0.640 54.647 54.000 0.013 0.000 0.951 1331 D CB -1.063 39.745 40.800 0.013 0.000 1.102 1331 D HN 0.146 8.522 8.370 0.010 0.000 0.423 1332 I N 1.004 121.578 120.570 0.006 0.000 2.741 1332 I HA -0.039 4.130 4.170 -0.002 0.000 0.288 1332 I C -1.328 174.795 176.117 0.009 0.000 1.192 1332 I CA -3.075 58.227 61.300 0.002 0.000 1.426 1332 I CB -0.994 37.005 38.000 -0.002 0.000 1.367 1332 I HN -0.219 7.958 8.210 0.005 0.036 0.563 1333 P HA 0.237 4.677 4.420 0.034 0.000 0.247 1333 P C -2.145 175.166 177.300 0.018 0.000 1.756 1333 P CA -0.647 62.468 63.100 0.025 0.000 1.117 1333 P CB -1.678 30.040 31.700 0.031 0.000 1.869 1334 I N 2.735 123.315 120.570 0.017 0.000 2.436 1334 I HA 0.722 5.104 4.170 0.001 -0.212 0.289 1334 I C -1.667 174.458 176.117 0.014 0.000 1.010 1334 I CA -1.928 59.376 61.300 0.007 0.000 1.098 1334 I CB 3.123 41.123 38.000 -0.001 0.000 1.266 1334 I HN -0.321 7.878 8.210 0.020 0.023 0.434 1335 V N 8.632 128.549 119.914 0.005 0.000 2.555 1335 V HA 0.287 4.427 4.120 0.032 0.000 0.302 1335 V C -2.333 173.756 176.094 -0.009 0.000 1.038 1335 V CA -2.468 59.842 62.300 0.016 0.000 0.887 1335 V CB 3.992 35.840 31.823 0.041 0.000 0.991 1335 V HN 0.722 8.906 8.190 -0.009 0.000 0.434 1336 D N 7.759 128.171 120.400 0.020 0.000 2.336 1336 D HA 0.053 4.692 4.640 -0.002 0.000 0.249 1336 D C 0.133 176.462 176.300 0.048 0.000 1.213 1336 D CA -0.307 53.705 54.000 0.020 0.000 0.870 1336 D CB 0.488 41.309 40.800 0.034 0.000 1.076 1336 D HN 0.378 8.770 8.370 0.037 0.000 0.483 1337 A N 6.060 128.878 122.820 -0.003 0.000 2.070 1337 A HA -0.163 4.204 4.320 0.079 0.000 0.220 1337 A C 0.098 177.810 177.584 0.214 0.000 1.159 1337 A CA 1.746 53.814 52.037 0.051 0.000 0.656 1337 A CB 0.473 19.399 19.000 -0.123 0.000 0.800 1337 A HN 0.616 8.740 8.150 -0.043 0.000 0.453 1338 Q N -1.461 118.416 119.800 0.129 0.000 2.715 1338 Q HA 0.058 4.484 4.340 0.144 0.000 0.399 1338 Q C -0.714 175.340 176.000 0.089 0.000 1.017 1338 Q CA -2.081 53.793 55.803 0.119 0.000 1.077 1338 Q CB -0.229 28.565 28.738 0.094 0.000 1.350 1338 Q HN -0.407 8.143 8.270 0.089 -0.227 0.421 1339 S N 0.000 115.762 115.700 0.103 0.000 2.498 1339 S HA 0.000 4.627 4.470 0.081 -0.108 0.327 1339 S CA 0.000 58.246 58.200 0.077 0.000 1.107 1339 S CB 0.000 63.240 63.200 0.067 0.000 0.593 1339 S HN 0.000 8.356 8.310 0.135 0.035 0.517