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 3f7q_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 4.638 4.640 -0.004 0.000 0.175 1126 D C 0.000 176.296 176.300 -0.006 0.000 2.045 1126 D CA 0.000 53.998 54.000 -0.002 0.000 0.868 1126 D CB 0.000 40.801 40.800 0.002 0.000 0.688 1127 L N 1.214 122.429 121.223 -0.014 0.000 2.395 1127 L HA 0.199 4.530 4.340 -0.014 0.000 0.269 1127 L C 1.123 177.986 176.870 -0.012 0.000 1.133 1127 L CA 0.002 54.830 54.840 -0.020 0.000 0.812 1127 L CB 0.828 42.859 42.059 -0.045 0.000 1.125 1127 L HN 0.274 8.494 8.230 -0.016 0.000 0.452 1128 G N 0.425 109.224 108.800 -0.002 0.000 2.588 1128 G HA2 0.058 4.022 3.960 0.006 0.000 0.281 1128 G HA3 0.058 4.026 3.960 0.014 0.000 0.281 1128 G C -1.372 173.527 174.900 -0.001 0.000 1.236 1128 G CA -1.029 44.075 45.100 0.006 0.000 0.969 1128 G HN 0.332 8.623 8.290 0.002 0.000 0.504 1129 A N -0.754 122.070 122.820 0.007 0.000 2.425 1129 A HA 0.310 4.759 4.320 -0.036 -0.151 0.249 1129 A C -1.833 175.759 177.584 0.013 0.000 1.084 1129 A CA -2.021 50.014 52.037 -0.003 0.000 0.781 1129 A CB -0.109 18.905 19.000 0.023 0.000 1.019 1129 A HN 0.076 8.235 8.150 0.016 0.000 0.490 1130 P HA -0.089 4.498 4.420 0.103 -0.105 0.266 1130 P C -1.381 175.953 177.300 0.057 0.000 1.195 1130 P CA -0.075 63.043 63.100 0.029 0.000 0.768 1130 P CB 0.594 32.182 31.700 -0.187 0.000 0.838 1131 Q N -0.188 119.672 119.800 0.100 0.000 2.241 1131 Q HA 0.203 4.591 4.340 0.081 0.000 0.262 1131 Q C -0.318 175.748 176.000 0.111 0.000 1.014 1131 Q CA -1.746 54.110 55.803 0.089 0.000 0.885 1131 Q CB 2.988 31.766 28.738 0.068 0.000 1.311 1131 Q HN -0.410 7.933 8.270 0.121 0.000 0.461 1132 N N -2.743 116.015 118.700 0.097 0.000 2.714 1132 N HA -0.347 4.448 4.740 0.092 0.000 0.252 1132 N C -2.077 173.522 175.510 0.149 0.000 1.014 1132 N CA 0.163 53.272 53.050 0.099 0.000 0.735 1132 N CB -1.212 37.314 38.487 0.065 0.000 0.924 1132 N HN 0.470 8.901 8.380 0.085 0.000 0.540 1133 P HA -0.100 4.691 4.420 0.343 -0.165 0.268 1133 P C -1.317 176.186 177.300 0.338 0.000 1.204 1133 P CA -0.053 63.252 63.100 0.342 0.000 0.768 1133 P CB 0.382 32.332 31.700 0.417 0.000 0.842 1134 N N 3.290 122.235 118.700 0.409 0.000 2.369 1134 N HA 0.127 4.996 4.740 0.215 0.000 0.287 1134 N C -2.448 173.281 175.510 0.364 0.000 1.067 1134 N CA -0.117 53.097 53.050 0.274 0.000 0.888 1134 N CB 3.029 41.602 38.487 0.142 0.000 1.616 1134 N HN 0.318 8.990 8.380 0.486 0.000 0.482 1135 A N 2.638 125.583 122.820 0.208 0.000 2.435 1135 A HA 0.965 5.634 4.320 0.238 -0.207 0.304 1135 A C -1.983 175.632 177.584 0.052 0.000 1.064 1135 A CA -1.550 50.574 52.037 0.145 0.000 0.727 1135 A CB 3.376 22.354 19.000 -0.037 0.000 1.284 1135 A HN 0.242 8.471 8.150 0.131 0.000 0.415 1136 K N 2.844 123.265 120.400 0.034 0.000 2.501 1136 K HA 0.331 4.644 4.320 -0.013 0.000 0.252 1136 K C -1.888 174.652 176.600 -0.100 0.000 0.934 1136 K CA -1.033 55.248 56.287 -0.010 0.000 0.797 1136 K CB 4.042 36.558 32.500 0.026 0.000 1.270 1136 K HN 0.310 8.594 8.250 0.056 0.000 0.431 1137 A N 4.454 127.176 122.820 -0.164 0.000 2.511 1137 A HA -0.017 4.105 4.320 -0.331 0.000 0.242 1137 A C -0.631 176.703 177.584 -0.415 0.000 1.069 1137 A CA 1.359 53.184 52.037 -0.354 0.000 0.763 1137 A CB 0.189 18.852 19.000 -0.561 0.000 1.001 1137 A HN 0.486 8.566 8.150 -0.117 0.000 0.498 1138 A N 2.234 124.757 122.820 -0.496 0.000 2.500 1138 A HA 0.172 4.247 4.320 -0.409 0.000 0.267 1138 A C -1.292 176.089 177.584 -0.338 0.000 1.290 1138 A CA -0.759 50.966 52.037 -0.521 0.000 0.928 1138 A CB 0.762 19.128 19.000 -1.057 0.000 1.066 1138 A HN 0.326 8.188 8.150 -0.480 0.000 0.516 1139 G N -2.769 105.789 108.800 -0.403 0.000 2.339 1139 G HA2 -0.082 3.903 3.960 0.042 0.000 0.275 1139 G HA3 -0.082 3.809 3.960 -0.114 0.000 0.275 1139 G C -0.931 173.854 174.900 -0.191 0.000 1.323 1139 G CA -0.173 44.828 45.100 -0.165 0.000 0.927 1139 G HN -0.689 7.139 8.290 -0.659 0.067 0.486 1140 S N -0.956 114.737 115.700 -0.013 0.000 2.524 1140 S HA -0.059 4.681 4.470 0.067 -0.229 0.216 1140 S C 0.796 175.398 174.600 0.002 0.000 0.987 1140 S CA 1.277 59.501 58.200 0.040 0.000 0.909 1140 S CB 0.784 64.038 63.200 0.091 0.000 0.781 1140 S HN 0.414 8.733 8.310 0.016 0.000 0.521 1141 R N -1.786 118.680 120.500 -0.056 0.000 2.572 1141 R HA 0.151 4.577 4.340 -0.058 -0.120 0.370 1141 R C -1.616 174.592 176.300 -0.154 0.000 1.005 1141 R CA -0.197 55.856 56.100 -0.079 0.000 1.146 1141 R CB 1.538 31.804 30.300 -0.056 0.000 1.390 1141 R HN 0.073 8.263 8.270 -0.073 0.036 0.553 1142 K N -1.272 119.007 120.400 -0.202 0.000 2.527 1142 K HA 0.849 5.231 4.320 -0.252 -0.213 0.260 1142 K C -1.757 174.651 176.600 -0.319 0.000 0.937 1142 K CA -1.121 55.016 56.287 -0.249 0.000 0.826 1142 K CB 4.405 36.778 32.500 -0.211 0.000 1.359 1142 K HN -0.594 7.533 8.250 -0.205 0.000 0.434 1143 I N 1.290 121.677 120.570 -0.306 0.000 2.545 1143 I HA 0.325 4.419 4.170 -0.302 -0.105 0.292 1143 I C -1.766 174.298 176.117 -0.088 0.000 1.040 1143 I CA -1.074 60.067 61.300 -0.264 0.000 1.068 1143 I CB 4.599 42.434 38.000 -0.276 0.000 1.251 1143 I HN 0.112 8.151 8.210 -0.286 0.000 0.424 1144 H N 5.550 124.574 119.070 -0.076 0.000 2.519 1144 H HA 0.504 5.203 4.556 -0.023 -0.157 0.316 1144 H C -1.321 174.063 175.328 0.092 0.000 1.065 1144 H CA -2.091 53.946 56.048 -0.019 0.000 1.264 1144 H CB 1.873 31.609 29.762 -0.044 0.000 1.413 1144 H HN 0.551 8.781 8.280 -0.084 0.000 0.465 1145 F N 7.828 127.810 119.950 0.054 0.000 2.477 1145 F HA 0.781 5.528 4.527 0.076 -0.174 0.335 1145 F C -2.660 173.155 175.800 0.026 0.000 1.130 1145 F CA -3.220 54.834 58.000 0.089 0.000 0.948 1145 F CB 2.719 41.808 39.000 0.148 0.000 1.154 1145 F HN 0.090 8.562 8.300 0.287 0.000 0.439 1146 N N 3.940 122.571 118.700 -0.115 0.000 2.697 1146 N HA 0.430 4.497 4.740 -1.264 -0.086 0.272 1146 N C -2.475 172.848 175.510 -0.313 0.000 1.381 1146 N CA -0.871 51.804 53.050 -0.625 0.000 0.797 1146 N CB 3.604 41.777 38.487 -0.523 0.000 1.523 1146 N HN 0.512 8.980 8.380 0.146 0.000 0.518 1147 W N -6.380 114.688 121.300 -0.388 0.000 2.937 1147 W HA 0.500 5.201 4.660 -0.197 -0.159 0.360 1147 W C -2.394 173.975 176.519 -0.250 0.000 1.215 1147 W CA -0.675 56.489 57.345 -0.301 0.000 1.183 1147 W CB 1.554 30.782 29.460 -0.387 0.000 1.458 1147 W HN -0.425 7.027 8.180 -1.213 0.000 0.574 1148 L N 1.019 122.293 121.223 0.085 0.000 2.289 1148 L HA 0.479 4.774 4.340 -0.075 0.000 0.285 1148 L C -1.166 175.791 176.870 0.144 0.000 1.049 1148 L CA -2.619 52.236 54.840 0.025 0.000 0.804 1148 L CB 0.694 42.775 42.059 0.036 0.000 1.195 1148 L HN 0.353 8.686 8.230 0.171 0.000 0.428 1149 P HA 0.094 4.747 4.420 0.389 0.000 0.265 1149 P C -2.133 175.265 177.300 0.163 0.000 1.193 1149 P CA -1.292 61.943 63.100 0.226 0.000 0.765 1149 P CB -0.543 31.260 31.700 0.172 0.000 0.823 1150 P HA 0.115 4.582 4.420 0.078 0.000 0.274 1150 P C -0.269 177.066 177.300 0.059 0.000 1.237 1150 P CA -0.612 62.542 63.100 0.091 0.000 0.793 1150 P CB 0.897 32.638 31.700 0.069 0.000 0.977 1151 S N 0.453 116.175 115.700 0.036 0.000 2.579 1151 S HA -0.131 4.354 4.470 0.024 0.000 0.275 1151 S C 0.307 174.914 174.600 0.012 0.000 1.345 1151 S CA 0.493 58.706 58.200 0.023 0.000 1.031 1151 S CB 0.849 64.059 63.200 0.017 0.000 0.892 1151 S HN 0.083 8.413 8.310 0.034 0.000 0.529 1152 G N 1.505 110.308 108.800 0.005 0.000 2.384 1152 G HA2 -0.185 3.772 3.960 -0.004 0.000 0.200 1152 G HA3 -0.185 3.769 3.960 -0.009 0.000 0.200 1152 G C -1.820 173.073 174.900 -0.012 0.000 1.205 1152 G CA -0.463 44.634 45.100 -0.005 0.000 1.116 1152 G HN 0.177 8.471 8.290 0.007 0.000 0.547 1153 K N 2.503 122.887 120.400 -0.026 0.000 2.954 1153 K HA 0.341 4.642 4.320 -0.031 0.000 0.171 1153 K C -2.387 174.168 176.600 -0.075 0.000 1.079 1153 K CA -3.143 53.122 56.287 -0.037 0.000 0.908 1153 K CB 0.996 33.481 32.500 -0.025 0.000 1.142 1153 K HN 0.081 8.313 8.250 -0.029 0.000 0.613 1154 P HA -0.043 4.327 4.420 -0.261 -0.107 0.268 1154 P C -0.580 176.551 177.300 -0.282 0.000 1.204 1154 P CA 0.213 63.157 63.100 -0.261 0.000 0.768 1154 P CB 0.686 32.174 31.700 -0.353 0.000 0.842 1155 M N 0.898 120.298 119.600 -0.334 0.000 2.509 1155 M HA 0.150 4.546 4.480 -0.140 0.000 0.250 1155 M C -0.188 175.869 176.300 -0.406 0.000 1.132 1155 M CA -1.015 54.151 55.300 -0.224 0.000 1.080 1155 M CB 0.545 33.148 32.600 0.005 0.000 1.408 1155 M HN 0.597 8.674 8.290 -0.356 0.000 0.484 1156 G N -4.111 104.091 108.800 -0.996 0.000 2.315 1156 G HA2 0.175 3.832 3.960 -0.583 0.000 0.294 1156 G HA3 0.175 3.589 3.960 -0.911 0.000 0.294 1156 G C -3.156 170.727 174.900 -1.695 0.000 1.300 1156 G CA 0.576 45.017 45.100 -1.098 0.000 0.843 1156 G HN -0.876 6.670 8.290 -1.167 0.044 0.527 1157 Y N -3.172 116.864 120.300 -0.439 0.000 2.553 1157 Y HA 0.684 5.200 4.550 -0.311 -0.152 0.347 1157 Y C -1.808 174.162 175.900 0.116 0.000 1.019 1157 Y CA -1.344 56.648 58.100 -0.179 0.000 1.032 1157 Y CB 5.390 43.850 38.460 0.001 0.000 1.284 1157 Y HN 0.465 8.691 8.280 -0.090 0.000 0.466 1158 R N 1.349 121.982 120.500 0.223 0.000 2.480 1158 R HA 0.491 5.165 4.340 0.311 -0.147 0.306 1158 R C -1.947 174.489 176.300 0.225 0.000 0.958 1158 R CA -1.548 54.711 56.100 0.265 0.000 0.861 1158 R CB 3.537 34.004 30.300 0.277 0.000 1.171 1158 R HN 0.370 8.696 8.270 0.093 0.000 0.445 1159 V N 7.573 127.667 119.914 0.299 0.000 2.472 1159 V HA 0.518 5.017 4.120 0.362 -0.162 0.290 1159 V C -1.288 175.087 176.094 0.469 0.000 1.037 1159 V CA -1.062 61.467 62.300 0.382 0.000 0.908 1159 V CB 2.211 34.287 31.823 0.421 0.000 0.985 1159 V HN 0.655 9.036 8.190 0.317 0.000 0.454 1160 K N 6.152 126.843 120.400 0.484 0.000 2.206 1160 K HA 0.954 5.710 4.320 0.377 -0.210 0.264 1160 K C -1.020 175.882 176.600 0.504 0.000 0.967 1160 K CA -1.792 54.758 56.287 0.439 0.000 0.844 1160 K CB 2.253 34.961 32.500 0.346 0.000 1.099 1160 K HN 0.264 8.814 8.250 0.501 0.000 0.441 1161 Y N -0.263 120.272 120.300 0.391 0.000 2.544 1161 Y HA 0.960 5.595 4.550 -0.173 -0.189 0.342 1161 Y C -2.977 173.230 175.900 0.511 0.000 1.062 1161 Y CA -2.538 55.676 58.100 0.190 0.000 1.023 1161 Y CB 3.419 41.920 38.460 0.068 0.000 1.308 1161 Y HN 0.066 8.500 8.280 0.257 0.000 0.457 1162 W N -3.829 117.658 121.300 0.312 0.000 3.146 1162 W HA 0.529 5.352 4.660 0.271 0.000 0.319 1162 W C -2.380 174.237 176.519 0.164 0.000 1.258 1162 W CA -1.570 55.903 57.345 0.212 0.000 1.189 1162 W CB 2.296 31.770 29.460 0.023 0.000 1.412 1162 W HN 0.393 8.451 8.180 -0.203 0.000 0.567 1163 I N 0.976 121.646 120.570 0.166 0.000 2.648 1163 I HA -0.164 3.687 4.170 -0.742 -0.126 0.284 1163 I C 0.386 176.476 176.117 -0.046 0.000 1.153 1163 I CA 0.318 61.463 61.300 -0.258 0.000 1.426 1163 I CB 0.404 38.291 38.000 -0.187 0.000 1.381 1163 I HN 0.767 9.153 8.210 0.293 0.000 0.571 1164 Q N 9.782 129.473 119.800 -0.182 0.000 2.269 1164 Q HA -0.370 3.983 4.340 0.022 0.000 0.300 1164 Q C 0.572 176.565 176.000 -0.011 0.000 1.070 1164 Q CA 2.255 58.023 55.803 -0.059 0.000 0.957 1164 Q CB 0.153 28.817 28.738 -0.123 0.000 1.131 1164 Q HN -0.015 8.060 8.270 -0.324 0.000 0.377 1165 G N 5.627 114.464 108.800 0.061 0.000 2.213 1165 G HA2 -0.404 3.567 3.960 0.019 0.000 0.236 1165 G HA3 -0.404 3.550 3.960 -0.009 0.000 0.236 1165 G C -0.532 174.386 174.900 0.031 0.000 0.991 1165 G CA -0.088 45.026 45.100 0.024 0.000 0.629 1165 G HN 0.477 8.836 8.290 0.116 0.000 0.517 1166 D N 1.535 121.988 120.400 0.088 0.000 2.311 1166 D HA 0.222 4.857 4.640 -0.007 0.000 0.278 1166 D C -0.789 175.480 176.300 -0.051 0.000 1.189 1166 D CA -0.758 53.263 54.000 0.036 0.000 1.117 1166 D CB 1.172 42.017 40.800 0.076 0.000 1.168 1166 D HN -0.080 8.316 8.370 0.149 0.063 0.509 1167 S N -4.013 111.522 115.700 -0.275 0.000 2.567 1167 S HA 0.077 4.169 4.470 -0.631 0.000 0.270 1167 S C -0.150 173.701 174.600 -1.248 0.000 1.152 1167 S CA -0.975 56.840 58.200 -0.643 0.000 0.835 1167 S CB 2.218 65.196 63.200 -0.370 0.000 1.115 1167 S HN -0.368 7.799 8.310 -0.238 0.000 0.459 1168 E N 1.815 121.054 120.200 -1.602 0.000 2.160 1168 E HA -0.333 2.656 4.350 -2.268 0.000 0.195 1168 E C 1.229 177.395 176.600 -0.724 0.000 0.991 1168 E CA 3.391 58.842 56.400 -1.581 0.000 0.810 1168 E CB -0.528 28.486 29.700 -1.143 0.000 0.742 1168 E HN 0.584 8.154 8.360 -1.316 0.000 0.466 1169 S N -1.346 114.046 115.700 -0.513 0.000 2.447 1169 S HA -0.167 4.137 4.470 -0.276 0.000 0.233 1169 S C 0.421 174.863 174.600 -0.264 0.000 1.006 1169 S CA 2.266 60.279 58.200 -0.311 0.000 0.957 1169 S CB -0.712 62.347 63.200 -0.234 0.000 0.773 1169 S HN 0.072 8.048 8.310 -0.518 0.023 0.507 1170 E N -0.107 119.910 120.200 -0.305 0.000 2.496 1170 E HA 0.110 4.338 4.350 -0.203 0.000 0.200 1170 E C -1.146 175.299 176.600 -0.259 0.000 1.016 1170 E CA -1.248 55.009 56.400 -0.238 0.000 0.962 1170 E CB -0.148 29.435 29.700 -0.194 0.000 1.071 1170 E HN -0.668 7.326 8.360 -0.382 0.137 0.457 1171 A N -0.868 121.803 122.820 -0.248 0.000 2.483 1171 A HA -0.231 4.204 4.320 0.022 -0.103 0.238 1171 A C 0.701 178.156 177.584 -0.216 0.000 1.070 1171 A CA 0.517 52.491 52.037 -0.105 0.000 0.770 1171 A CB 0.843 19.858 19.000 0.025 0.000 1.008 1171 A HN -0.627 7.128 8.150 -0.291 0.219 0.497 1172 H N 1.172 120.107 119.070 -0.225 0.000 2.707 1172 H HA -0.086 4.360 4.556 -0.184 0.000 0.359 1172 H C -1.025 174.194 175.328 -0.181 0.000 1.113 1172 H CA 1.108 56.943 56.048 -0.356 0.000 1.422 1172 H CB 0.896 30.105 29.762 -0.922 0.000 1.443 1172 H HN 0.158 8.254 8.280 -0.306 0.000 0.591 1173 L N 2.043 123.337 121.223 0.118 0.000 2.349 1173 L HA 0.593 5.256 4.340 0.233 -0.183 0.278 1173 L C -0.818 176.207 176.870 0.258 0.000 0.996 1173 L CA -1.332 53.624 54.840 0.194 0.000 0.825 1173 L CB 1.829 43.968 42.059 0.134 0.000 1.243 1173 L HN 0.195 8.504 8.230 0.132 0.000 0.412 1174 L N 5.623 127.045 121.223 0.331 0.000 2.404 1174 L HA 0.443 4.945 4.340 0.270 0.000 0.272 1174 L C -2.183 174.861 176.870 0.290 0.000 0.980 1174 L CA -0.751 54.280 54.840 0.318 0.000 0.836 1174 L CB 4.327 46.622 42.059 0.393 0.000 1.238 1174 L HN 0.361 8.806 8.230 0.358 0.000 0.408 1175 D N 6.503 127.051 120.400 0.247 0.000 2.304 1175 D HA 0.415 5.419 4.640 0.318 -0.173 0.247 1175 D C -0.743 175.718 176.300 0.267 0.000 1.089 1175 D CA 0.017 54.179 54.000 0.270 0.000 0.910 1175 D CB 1.160 42.091 40.800 0.218 0.000 1.199 1175 D HN 0.195 8.694 8.370 0.215 0.000 0.426 1176 S N 2.179 118.069 115.700 0.317 0.000 2.540 1176 S HA 0.299 4.899 4.470 0.216 0.000 0.275 1176 S C -0.492 174.278 174.600 0.284 0.000 1.123 1176 S CA -1.532 56.839 58.200 0.284 0.000 0.907 1176 S CB 1.664 65.062 63.200 0.330 0.000 1.081 1176 S HN 0.068 8.596 8.310 0.364 0.000 0.476 1177 K N 4.181 124.697 120.400 0.193 0.000 2.374 1177 K HA 0.217 4.606 4.320 0.116 0.000 0.196 1177 K C -0.179 176.516 176.600 0.158 0.000 1.023 1177 K CA -0.848 55.524 56.287 0.143 0.000 1.103 1177 K CB -0.427 32.129 32.500 0.093 0.000 0.848 1177 K HN 0.321 8.664 8.250 0.155 0.000 0.528 1178 V N -5.504 114.507 119.914 0.162 0.000 3.074 1178 V HA 0.647 4.824 4.120 0.095 0.000 0.314 1178 V C -1.780 174.242 176.094 -0.119 0.000 1.117 1178 V CA -4.199 58.129 62.300 0.048 0.000 1.014 1178 V CB 1.892 33.673 31.823 -0.070 0.000 1.057 1178 V HN -0.735 7.502 8.190 0.157 0.048 0.438 1179 P HA 0.228 3.760 4.420 -1.481 0.000 0.226 1179 P C -1.697 174.448 177.300 -1.924 0.000 1.758 1179 P CA -0.091 62.223 63.100 -1.309 0.000 0.896 1179 P CB -2.404 28.701 31.700 -0.992 0.000 1.784 1180 S N -3.672 111.234 115.700 -1.324 0.000 2.567 1180 S HA 0.797 4.489 4.470 -1.563 -0.160 0.270 1180 S C -2.036 172.313 174.600 -0.418 0.000 1.152 1180 S CA -0.890 56.664 58.200 -1.078 0.000 0.835 1180 S CB 3.020 65.824 63.200 -0.660 0.000 1.115 1180 S HN -0.428 7.307 8.310 -0.804 0.092 0.459 1181 V N -6.457 113.361 119.914 -0.160 0.000 3.159 1181 V HA 0.454 4.568 4.120 -0.011 0.000 0.308 1181 V C -2.624 173.489 176.094 0.032 0.000 1.190 1181 V CA -2.088 60.229 62.300 0.027 0.000 1.037 1181 V CB 3.847 35.793 31.823 0.205 0.000 1.060 1181 V HN 0.657 8.756 8.190 -0.153 0.000 0.437 1182 E N 3.192 123.412 120.200 0.033 0.000 2.129 1182 E HA 0.585 5.232 4.350 0.202 -0.176 0.268 1182 E C -0.771 175.819 176.600 -0.015 0.000 0.900 1182 E CA -1.847 54.610 56.400 0.094 0.000 0.755 1182 E CB 1.954 31.722 29.700 0.112 0.000 1.117 1182 E HN 0.083 8.455 8.360 0.020 0.000 0.410 1183 L N 7.153 128.302 121.223 -0.124 0.000 2.331 1183 L HA 0.191 4.325 4.340 -0.343 0.000 0.278 1183 L C -0.594 176.118 176.870 -0.263 0.000 1.106 1183 L CA 0.115 54.749 54.840 -0.344 0.000 0.824 1183 L CB 0.341 41.998 42.059 -0.669 0.000 1.142 1183 L HN 0.362 8.534 8.230 -0.098 0.000 0.443 1184 T N -1.308 113.121 114.554 -0.209 0.000 2.883 1184 T HA 0.232 4.605 4.350 -0.157 -0.117 0.284 1184 T C -0.272 174.339 174.700 -0.148 0.000 1.041 1184 T CA -2.548 59.463 62.100 -0.147 0.000 1.007 1184 T CB 2.351 71.175 68.868 -0.073 0.000 1.220 1184 T HN -0.074 8.052 8.240 -0.191 0.000 0.552 1185 N N -1.097 117.531 118.700 -0.120 0.000 2.727 1185 N HA -0.343 4.328 4.740 -0.115 0.000 0.249 1185 N C -1.205 174.202 175.510 -0.171 0.000 1.048 1185 N CA 0.850 53.825 53.050 -0.126 0.000 0.714 1185 N CB -0.522 37.908 38.487 -0.096 0.000 0.959 1185 N HN 0.171 8.489 8.380 -0.103 0.000 0.544 1186 L N -3.351 117.766 121.223 -0.176 0.000 2.416 1186 L HA 0.105 4.405 4.340 -0.066 0.000 0.262 1186 L C -0.334 176.513 176.870 -0.039 0.000 1.093 1186 L CA -0.998 53.766 54.840 -0.128 0.000 0.801 1186 L CB 1.053 42.921 42.059 -0.318 0.000 1.191 1186 L HN -0.670 7.457 8.230 -0.173 0.000 0.459 1187 Y N 0.036 120.484 120.300 0.247 0.000 2.359 1187 Y HA 0.128 4.761 4.550 0.139 0.000 0.330 1187 Y C -1.564 174.442 175.900 0.176 0.000 1.143 1187 Y CA -0.618 57.595 58.100 0.189 0.000 1.318 1187 Y CB -0.560 38.008 38.460 0.180 0.000 1.234 1187 Y HN 0.046 8.652 8.280 0.544 0.000 0.522 1188 P HA -0.041 4.719 4.420 0.203 -0.217 0.269 1188 P C -0.739 176.745 177.300 0.307 0.000 1.215 1188 P CA -0.271 62.975 63.100 0.243 0.000 0.780 1188 P CB 0.570 32.384 31.700 0.189 0.000 0.898 1189 Y N -0.224 120.142 120.300 0.111 0.000 3.108 1189 Y HA -0.433 4.309 4.550 0.077 -0.146 0.208 1189 Y C -1.475 174.467 175.900 0.071 0.000 1.245 1189 Y CA 1.178 59.326 58.100 0.079 0.000 1.171 1189 Y CB -1.878 36.612 38.460 0.049 0.000 1.331 1189 Y HN -0.073 8.308 8.280 0.326 0.095 0.534 1190 C N 0.794 120.120 119.300 0.044 0.000 2.535 1190 C HA 0.221 4.597 4.460 -0.140 0.000 0.319 1190 C C -2.016 172.956 174.990 -0.029 0.000 1.171 1190 C CA -2.342 56.661 59.018 -0.025 0.000 1.394 1190 C CB 3.032 30.845 27.740 0.121 0.000 1.990 1190 C HN -0.235 8.070 8.230 0.126 0.000 0.466 1191 D N 8.295 128.590 120.400 -0.175 0.000 2.308 1191 D HA 0.159 4.913 4.640 -0.058 -0.149 0.251 1191 D C -1.369 174.765 176.300 -0.277 0.000 1.127 1191 D CA 0.819 54.731 54.000 -0.146 0.000 0.876 1191 D CB 1.347 42.049 40.800 -0.163 0.000 1.176 1191 D HN 0.303 8.540 8.370 -0.222 0.000 0.446 1192 Y N 2.390 122.607 120.300 -0.138 0.000 2.446 1192 Y HA 0.378 4.973 4.550 -0.159 -0.141 0.345 1192 Y C -1.046 174.649 175.900 -0.342 0.000 0.984 1192 Y CA -1.039 56.949 58.100 -0.187 0.000 1.058 1192 Y CB 4.158 42.540 38.460 -0.130 0.000 1.220 1192 Y HN 0.517 8.847 8.280 0.084 0.000 0.455 1193 E N 1.028 120.937 120.200 -0.484 0.000 2.202 1193 E HA 0.919 5.348 4.350 -0.502 -0.380 0.272 1193 E C -0.880 175.095 176.600 -1.041 0.000 0.951 1193 E CA -1.824 54.116 56.400 -0.767 0.000 0.813 1193 E CB 3.383 32.556 29.700 -0.878 0.000 1.151 1193 E HN 0.373 8.363 8.360 -0.617 0.000 0.398 1194 M N -1.563 117.585 119.600 -0.754 0.000 2.603 1194 M HA 0.993 5.334 4.480 -0.540 -0.185 0.275 1194 M C -2.590 173.550 176.300 -0.267 0.000 1.226 1194 M CA -0.772 54.204 55.300 -0.540 0.000 0.870 1194 M CB 5.200 37.463 32.600 -0.563 0.000 1.716 1194 M HN 0.386 8.320 8.290 -0.593 0.000 0.482 1195 K N -3.518 116.930 120.400 0.080 0.000 2.578 1195 K HA 0.659 5.193 4.320 0.356 0.000 0.287 1195 K C -2.985 173.917 176.600 0.502 0.000 1.010 1195 K CA -1.037 55.443 56.287 0.322 0.000 0.889 1195 K CB 4.489 37.160 32.500 0.285 0.000 1.514 1195 K HN 0.360 8.712 8.250 0.171 0.000 0.424 1196 V N -0.723 119.405 119.914 0.357 0.000 2.888 1196 V HA 0.869 5.236 4.120 0.116 -0.178 0.309 1196 V C -2.192 173.700 176.094 -0.337 0.000 1.114 1196 V CA -2.796 59.459 62.300 -0.074 0.000 0.940 1196 V CB 3.876 35.132 31.823 -0.945 0.000 1.021 1196 V HN -0.029 8.339 8.190 0.297 0.000 0.426 1197 C N 4.139 123.070 119.300 -0.614 0.000 2.848 1197 C HA 0.732 4.891 4.460 -0.503 0.000 0.317 1197 C C -2.124 172.692 174.990 -0.290 0.000 1.260 1197 C CA -3.976 54.652 59.018 -0.650 0.000 1.656 1197 C CB 3.577 30.607 27.740 -1.185 0.000 2.174 1197 C HN 0.434 8.372 8.230 -0.487 0.000 0.479 1198 A N -0.803 121.883 122.820 -0.223 0.000 2.306 1198 A HA 0.702 4.840 4.320 -0.546 -0.145 0.330 1198 A C -1.711 175.723 177.584 -0.250 0.000 1.146 1198 A CA -1.812 50.020 52.037 -0.342 0.000 0.827 1198 A CB 2.471 21.304 19.000 -0.278 0.000 1.178 1198 A HN 0.579 8.601 8.150 -0.214 0.000 0.490 1199 Y N -3.857 116.281 120.300 -0.270 0.000 2.499 1199 Y HA 0.936 5.572 4.550 -0.144 -0.173 0.347 1199 Y C -1.350 174.453 175.900 -0.162 0.000 0.987 1199 Y CA -3.000 54.996 58.100 -0.172 0.000 1.044 1199 Y CB 2.752 41.138 38.460 -0.123 0.000 1.245 1199 Y HN 0.078 7.780 8.280 -0.964 0.000 0.461 1200 G N -0.823 108.030 108.800 0.088 0.000 2.871 1200 G HA2 0.226 4.209 3.960 0.038 0.000 0.282 1200 G HA3 0.226 4.174 3.960 -0.021 0.000 0.282 1200 G C -0.794 174.134 174.900 0.047 0.000 1.212 1200 G CA -0.483 44.637 45.100 0.032 0.000 0.812 1200 G HN 0.107 8.460 8.290 0.104 0.000 0.547 1201 A N -1.168 121.663 122.820 0.018 0.000 2.032 1201 A HA -0.226 4.105 4.320 0.018 0.000 0.221 1201 A C 0.998 178.589 177.584 0.012 0.000 1.165 1201 A CA 2.848 54.894 52.037 0.014 0.000 0.645 1201 A CB -0.504 18.499 19.000 0.005 0.000 0.807 1201 A HN 0.566 8.719 8.150 0.005 0.000 0.453 1202 Q N -3.840 115.967 119.800 0.012 0.000 2.319 1202 Q HA 0.102 4.446 4.340 0.007 0.000 0.202 1202 Q C 0.354 176.362 176.000 0.012 0.000 0.896 1202 Q CA -0.937 54.871 55.803 0.009 0.000 0.942 1202 Q CB 0.225 28.965 28.738 0.005 0.000 1.083 1202 Q HN -0.010 8.234 8.270 0.010 0.033 0.510 1203 G N 0.231 109.046 108.800 0.024 0.000 2.512 1203 G HA2 -0.249 3.723 3.960 0.020 0.000 0.210 1203 G HA3 -0.249 3.719 3.960 0.014 0.000 0.210 1203 G C -2.228 172.702 174.900 0.050 0.000 1.295 1203 G CA -0.632 44.484 45.100 0.026 0.000 0.934 1203 G HN -0.245 7.897 8.290 0.032 0.167 0.554 1204 E N 2.683 122.907 120.200 0.040 0.000 2.313 1204 E HA 0.233 4.784 4.350 0.063 -0.162 0.276 1204 E C -0.553 176.044 176.600 -0.006 0.000 1.031 1204 E CA -0.587 55.833 56.400 0.034 0.000 0.857 1204 E CB 0.611 30.329 29.700 0.029 0.000 1.040 1204 E HN 0.157 8.533 8.360 0.027 0.000 0.408 1205 G N 3.621 112.393 108.800 -0.047 0.000 2.543 1205 G HA2 0.253 4.201 3.960 -0.020 0.000 0.290 1205 G HA3 0.253 4.180 3.960 -0.054 0.000 0.290 1205 G C -1.972 172.886 174.900 -0.071 0.000 1.310 1205 G CA -1.396 43.676 45.100 -0.047 0.000 1.025 1205 G HN 0.248 8.498 8.290 -0.066 0.000 0.502 1206 P HA -0.019 4.448 4.420 0.078 0.000 0.272 1206 P C -1.368 175.908 177.300 -0.040 0.000 1.230 1206 P CA -0.475 62.638 63.100 0.021 0.000 0.788 1206 P CB 1.063 32.792 31.700 0.049 0.000 0.949 1207 Y N -0.923 119.397 120.300 0.033 0.000 2.301 1207 Y HA 0.011 4.722 4.550 0.016 -0.151 0.328 1207 Y C 0.910 176.830 175.900 0.034 0.000 1.242 1207 Y CA 0.612 58.733 58.100 0.034 0.000 1.323 1207 Y CB 1.188 39.688 38.460 0.065 0.000 1.266 1207 Y HN -0.058 8.430 8.280 0.346 0.000 0.527 1208 S N 2.169 117.970 115.700 0.169 0.000 2.606 1208 S HA -0.054 4.474 4.470 0.097 0.000 0.257 1208 S C 0.399 175.102 174.600 0.173 0.000 1.327 1208 S CA -0.176 58.104 58.200 0.133 0.000 0.984 1208 S CB 1.522 64.787 63.200 0.108 0.000 0.941 1208 S HN 0.292 8.684 8.310 0.136 0.000 0.576 1209 S N -0.199 115.582 115.700 0.134 0.000 2.580 1209 S HA -0.082 4.456 4.470 0.115 0.000 0.266 1209 S C -0.293 174.382 174.600 0.126 0.000 1.354 1209 S CA 0.547 58.818 58.200 0.119 0.000 1.008 1209 S CB 0.634 63.889 63.200 0.092 0.000 0.898 1209 S HN 0.121 8.502 8.310 0.118 0.000 0.555 1210 L N 0.571 121.850 121.223 0.092 0.000 2.439 1210 L HA 0.040 4.571 4.340 0.036 -0.170 0.269 1210 L C 0.032 176.902 176.870 -0.001 0.000 1.179 1210 L CA -0.046 54.819 54.840 0.042 0.000 0.828 1210 L CB 0.726 42.808 42.059 0.039 0.000 1.106 1210 L HN 0.142 8.425 8.230 0.088 0.000 0.467 1211 V N 1.391 121.249 119.914 -0.093 0.000 2.914 1211 V HA 0.434 4.519 4.120 -0.058 0.000 0.314 1211 V C -2.384 173.589 176.094 -0.202 0.000 1.084 1211 V CA -1.969 60.261 62.300 -0.116 0.000 0.963 1211 V CB 3.343 35.109 31.823 -0.095 0.000 1.025 1211 V HN 0.541 8.634 8.190 -0.162 0.000 0.432 1212 S N 5.132 120.747 115.700 -0.141 0.000 2.513 1212 S HA 0.937 5.508 4.470 -0.191 -0.216 0.299 1212 S C -1.035 173.500 174.600 -0.108 0.000 1.087 1212 S CA -1.464 56.650 58.200 -0.144 0.000 1.012 1212 S CB 1.230 64.369 63.200 -0.103 0.000 1.044 1212 S HN -0.009 8.243 8.310 -0.097 0.000 0.485 1213 C N 5.202 124.444 119.300 -0.096 0.000 2.891 1213 C HA 0.311 4.740 4.460 -0.053 0.000 0.342 1213 C C -2.641 172.338 174.990 -0.019 0.000 1.126 1213 C CA -1.279 57.701 59.018 -0.064 0.000 1.322 1213 C CB 2.997 30.681 27.740 -0.094 0.000 1.763 1213 C HN 0.681 8.855 8.230 -0.093 0.000 0.491 1214 R N 6.617 127.107 120.500 -0.018 0.000 2.460 1214 R HA 0.581 5.136 4.340 0.028 -0.198 0.303 1214 R C -0.216 176.091 176.300 0.012 0.000 0.968 1214 R CA -1.235 54.866 56.100 0.002 0.000 0.889 1214 R CB 2.457 32.730 30.300 -0.044 0.000 1.123 1214 R HN 0.208 8.466 8.270 -0.021 0.000 0.455 1215 T N 3.898 118.484 114.554 0.053 0.000 2.868 1215 T HA 0.093 4.363 4.350 -0.133 0.000 0.292 1215 T C 0.020 174.792 174.700 0.120 0.000 1.028 1215 T CA -0.196 61.905 62.100 0.001 0.000 1.059 1215 T CB 1.798 70.699 68.868 0.055 0.000 0.991 1215 T HN -0.056 8.252 8.240 0.113 0.000 0.531 1216 H N 1.547 120.660 119.070 0.072 0.000 2.757 1216 H HA -0.098 4.523 4.556 0.109 0.000 0.370 1216 H C 0.641 176.049 175.328 0.132 0.000 1.172 1216 H CA 0.074 56.176 56.048 0.089 0.000 1.426 1216 H CB 0.899 30.679 29.762 0.030 0.000 1.438 1216 H HN 0.078 8.267 8.280 -0.152 0.000 0.612 1217 Q N -0.167 119.776 119.800 0.238 0.000 2.454 1217 Q HA -0.072 4.450 4.340 0.121 -0.110 0.247 1217 Q C -0.231 175.806 176.000 0.062 0.000 1.028 1217 Q CA 1.320 57.169 55.803 0.077 0.000 0.910 1217 Q CB 0.929 29.578 28.738 -0.149 0.000 1.276 1217 Q HN 0.211 8.605 8.270 0.207 0.000 0.489 1218 E N 0.705 120.925 120.200 0.033 0.000 2.410 1218 E HA 0.202 4.558 4.350 0.009 0.000 0.269 1218 E C -1.464 175.127 176.600 -0.014 0.000 0.937 1218 E CA -2.295 54.117 56.400 0.019 0.000 0.793 1218 E CB 3.067 32.795 29.700 0.046 0.000 1.314 1218 E HN -0.328 8.054 8.360 0.036 0.000 0.447 1219 V N -4.290 115.617 119.914 -0.012 0.000 2.999 1219 V HA -0.076 4.163 4.120 -0.065 -0.158 0.307 1219 V C -1.487 174.604 176.094 -0.004 0.000 1.084 1219 V CA -1.643 60.642 62.300 -0.024 0.000 1.155 1219 V CB -0.019 31.808 31.823 0.007 0.000 0.975 1219 V HN 0.061 8.251 8.190 0.001 0.000 0.490 1220 P HA 0.035 4.672 4.420 0.019 -0.206 0.271 1220 P C -0.713 176.619 177.300 0.052 0.000 1.233 1220 P CA -0.159 62.951 63.100 0.016 0.000 0.789 1220 P CB 0.773 32.474 31.700 0.001 0.000 0.951 1221 S N 2.859 118.600 115.700 0.069 0.000 2.633 1221 S HA -0.052 4.460 4.470 0.071 0.000 0.257 1221 S C -0.150 174.506 174.600 0.093 0.000 1.265 1221 S CA -0.045 58.201 58.200 0.078 0.000 0.980 1221 S CB 1.077 64.326 63.200 0.081 0.000 1.017 1221 S HN 0.078 8.430 8.310 0.071 0.000 0.577 1222 E N -0.007 120.245 120.200 0.087 0.000 2.437 1222 E HA 0.191 4.766 4.350 0.091 -0.171 0.263 1222 E C -1.141 175.529 176.600 0.116 0.000 1.030 1222 E CA -0.098 56.355 56.400 0.090 0.000 0.934 1222 E CB 0.061 29.803 29.700 0.069 0.000 0.943 1222 E HN 0.239 8.646 8.360 0.078 0.000 0.444 1223 P HA -0.107 4.456 4.420 0.238 0.000 0.271 1223 P C -0.140 177.234 177.300 0.124 0.000 1.233 1223 P CA 0.162 63.357 63.100 0.158 0.000 0.789 1223 P CB 0.623 32.334 31.700 0.018 0.000 0.951 1224 G N -0.346 108.548 108.800 0.158 0.000 2.732 1224 G HA2 -0.165 3.854 3.960 0.098 0.000 0.244 1224 G HA3 -0.165 3.866 3.960 0.118 0.000 0.244 1224 G C -0.564 174.397 174.900 0.102 0.000 1.226 1224 G CA -0.700 44.471 45.100 0.118 0.000 0.860 1224 G HN -0.261 8.046 8.290 0.202 0.104 0.583 1225 R N 0.670 121.218 120.500 0.080 0.000 2.585 1225 R HA -0.201 4.183 4.340 0.074 0.000 0.275 1225 R C 0.198 176.539 176.300 0.068 0.000 1.018 1225 R CA 0.662 56.807 56.100 0.074 0.000 1.072 1225 R CB 0.108 30.451 30.300 0.071 0.000 0.953 1225 R HN 0.108 8.422 8.270 0.074 0.000 0.419 1226 L N 3.123 124.380 121.223 0.057 0.000 2.410 1226 L HA 0.034 4.476 4.340 -0.033 -0.122 0.273 1226 L C -0.052 176.754 176.870 -0.108 0.000 1.152 1226 L CA 0.279 55.087 54.840 -0.053 0.000 0.855 1226 L CB -0.111 41.883 42.059 -0.107 0.000 1.129 1226 L HN 0.222 8.500 8.230 0.080 0.000 0.463 1227 A N 4.699 127.372 122.820 -0.245 0.000 2.318 1227 A HA 0.429 4.741 4.320 -0.012 0.000 0.324 1227 A C -2.023 175.326 177.584 -0.392 0.000 1.170 1227 A CA -1.106 50.831 52.037 -0.167 0.000 0.810 1227 A CB 2.686 21.630 19.000 -0.094 0.000 1.198 1227 A HN 0.395 8.397 8.150 -0.247 0.000 0.484 1228 F N 0.989 120.902 119.950 -0.063 0.000 2.427 1228 F HA 0.542 5.211 4.527 -0.117 -0.212 0.348 1228 F C -0.103 175.655 175.800 -0.070 0.000 1.125 1228 F CA -1.458 56.483 58.000 -0.098 0.000 0.989 1228 F CB 2.075 40.995 39.000 -0.134 0.000 1.165 1228 F HN 0.238 8.677 8.300 0.232 0.000 0.442 1229 N N 6.099 124.833 118.700 0.057 0.000 2.546 1229 N HA 0.267 5.031 4.740 0.041 0.000 0.238 1229 N C -1.536 173.994 175.510 0.034 0.000 0.984 1229 N CA -0.492 52.576 53.050 0.030 0.000 0.935 1229 N CB 1.325 39.804 38.487 -0.013 0.000 1.122 1229 N HN 0.079 8.462 8.380 0.005 0.000 0.510 1230 V N 4.588 124.527 119.914 0.041 0.000 2.498 1230 V HA -0.085 4.053 4.120 0.031 0.000 0.279 1230 V C -0.462 175.639 176.094 0.010 0.000 1.048 1230 V CA 0.212 62.529 62.300 0.028 0.000 0.967 1230 V CB 0.565 32.400 31.823 0.020 0.000 0.988 1230 V HN 0.622 8.838 8.190 0.043 0.000 0.473 1231 V N 6.736 126.652 119.914 0.004 0.000 2.672 1231 V HA 0.186 4.518 4.120 -0.001 -0.213 0.242 1231 V C 0.163 176.258 176.094 0.001 0.000 1.059 1231 V CA 0.891 63.190 62.300 -0.001 0.000 1.081 1231 V CB 1.402 33.221 31.823 -0.005 0.000 0.752 1231 V HN 0.243 8.436 8.190 0.004 0.000 0.472 1232 S N -2.255 113.445 115.700 0.001 0.000 2.752 1232 S HA 0.283 4.756 4.470 0.004 0.000 0.284 1232 S C 0.509 175.113 174.600 0.007 0.000 1.189 1232 S CA -1.326 56.876 58.200 0.003 0.000 0.835 1232 S CB 2.048 65.249 63.200 0.003 0.000 1.192 1232 S HN -0.582 7.729 8.310 0.001 0.000 0.506 1233 S N -1.070 114.636 115.700 0.011 0.000 2.507 1233 S HA -0.132 4.350 4.470 0.018 0.000 0.235 1233 S C 1.084 175.699 174.600 0.024 0.000 0.988 1233 S CA 2.606 60.817 58.200 0.018 0.000 0.944 1233 S CB -0.126 63.086 63.200 0.021 0.000 0.762 1233 S HN 0.644 8.960 8.310 0.010 0.000 0.526 1234 T N -5.774 108.788 114.554 0.013 0.000 3.087 1234 T HA 0.272 4.631 4.350 0.015 0.000 0.283 1234 T C -1.327 173.364 174.700 -0.016 0.000 0.956 1234 T CA -0.500 61.605 62.100 0.008 0.000 0.894 1234 T CB 1.814 70.691 68.868 0.014 0.000 1.160 1234 T HN -0.527 7.656 8.240 0.009 0.063 0.532 1235 V N 1.542 121.448 119.914 -0.013 0.000 2.686 1235 V HA 0.724 5.019 4.120 -0.035 -0.196 0.306 1235 V C -2.283 173.802 176.094 -0.014 0.000 1.065 1235 V CA -1.391 60.896 62.300 -0.022 0.000 0.894 1235 V CB 3.363 35.177 31.823 -0.016 0.000 1.004 1235 V HN -0.668 7.519 8.190 -0.006 0.000 0.424 1236 T N 5.750 120.293 114.554 -0.018 0.000 2.916 1236 T HA 0.453 4.912 4.350 0.008 -0.105 0.305 1236 T C -2.576 172.113 174.700 -0.018 0.000 1.119 1236 T CA -1.948 60.154 62.100 0.004 0.000 1.008 1236 T CB 2.392 71.291 68.868 0.051 0.000 1.129 1236 T HN 0.536 8.757 8.240 -0.032 0.000 0.480 1237 Q N 6.535 126.321 119.800 -0.023 0.000 2.235 1237 Q HA 0.553 5.002 4.340 -0.064 -0.147 0.250 1237 Q C -1.962 173.965 176.000 -0.122 0.000 0.909 1237 Q CA -0.415 55.349 55.803 -0.064 0.000 0.910 1237 Q CB 2.437 31.134 28.738 -0.069 0.000 1.223 1237 Q HN 0.227 8.490 8.270 -0.011 0.000 0.432 1238 L N 7.233 128.357 121.223 -0.165 0.000 2.341 1238 L HA 0.955 5.166 4.340 -0.525 -0.186 0.278 1238 L C -2.326 174.450 176.870 -0.157 0.000 1.005 1238 L CA -1.793 52.872 54.840 -0.291 0.000 0.818 1238 L CB 3.902 45.817 42.059 -0.241 0.000 1.259 1238 L HN 0.712 8.875 8.230 -0.112 0.000 0.418 1239 S N 3.589 119.177 115.700 -0.187 0.000 2.607 1239 S HA 0.860 5.312 4.470 -0.544 -0.308 0.273 1239 S C -2.048 172.523 174.600 -0.049 0.000 1.148 1239 S CA -1.507 56.521 58.200 -0.286 0.000 0.833 1239 S CB 3.259 66.258 63.200 -0.335 0.000 1.130 1239 S HN 0.343 8.492 8.310 -0.268 0.000 0.470 1240 W N -4.531 116.628 121.300 -0.235 0.000 3.248 1240 W HA 0.467 5.022 4.660 -0.175 0.000 0.311 1240 W C -2.288 174.123 176.519 -0.179 0.000 1.258 1240 W CA -0.976 56.245 57.345 -0.206 0.000 1.191 1240 W CB 1.966 31.293 29.460 -0.223 0.000 1.389 1240 W HN -0.061 7.556 8.180 -0.939 0.000 0.561 1241 A N 0.348 123.206 122.820 0.062 0.000 2.351 1241 A HA 0.031 4.312 4.320 -0.065 0.000 0.257 1241 A C -0.478 177.188 177.584 0.137 0.000 1.087 1241 A CA -0.938 51.113 52.037 0.024 0.000 0.798 1241 A CB 0.883 19.908 19.000 0.041 0.000 1.033 1241 A HN 0.504 8.722 8.150 0.114 0.000 0.488 1242 E N 1.542 121.810 120.200 0.114 0.000 2.437 1242 E HA -0.058 4.516 4.350 0.372 0.000 0.263 1242 E C -1.337 175.391 176.600 0.213 0.000 1.030 1242 E CA -1.848 54.693 56.400 0.234 0.000 0.934 1242 E CB 0.305 30.111 29.700 0.176 0.000 0.943 1242 E HN 0.256 8.650 8.360 0.055 0.000 0.444 1243 P HA -0.138 4.567 4.420 0.166 -0.185 0.265 1243 P C -1.093 176.282 177.300 0.124 0.000 1.187 1243 P CA 0.551 63.756 63.100 0.174 0.000 0.766 1243 P CB 0.455 32.253 31.700 0.163 0.000 0.820 1244 A N 4.094 126.977 122.820 0.104 0.000 1.933 1244 A HA -0.226 4.142 4.320 0.080 0.000 0.218 1244 A C 0.180 177.816 177.584 0.086 0.000 1.175 1244 A CA 1.854 53.943 52.037 0.086 0.000 0.628 1244 A CB 0.383 19.431 19.000 0.079 0.000 0.814 1244 A HN 0.457 8.669 8.150 0.103 0.000 0.444 1245 E N -1.802 118.453 120.200 0.092 0.000 2.182 1245 E HA 0.273 4.679 4.350 0.092 0.000 0.258 1245 E C -0.508 176.141 176.600 0.081 0.000 0.879 1245 E CA -0.672 55.784 56.400 0.094 0.000 0.754 1245 E CB 0.922 30.686 29.700 0.107 0.000 1.162 1245 E HN -0.790 7.624 8.360 0.093 0.003 0.419 1246 T N 0.991 115.587 114.554 0.071 0.000 3.014 1246 T HA -0.173 4.199 4.350 0.037 0.000 0.263 1246 T C -0.438 174.273 174.700 0.018 0.000 1.078 1246 T CA 1.513 63.637 62.100 0.040 0.000 1.135 1246 T CB 0.369 69.256 68.868 0.031 0.000 0.895 1246 T HN 0.408 8.692 8.240 0.073 0.000 0.480 1247 N N -1.832 116.906 118.700 0.063 0.000 2.708 1247 N HA -0.303 4.520 4.740 0.137 0.000 0.251 1247 N C -1.209 174.302 175.510 0.001 0.000 1.123 1247 N CA 0.947 54.044 53.050 0.078 0.000 0.739 1247 N CB -1.153 37.372 38.487 0.062 0.000 1.113 1247 N HN 0.032 8.465 8.380 0.089 0.000 0.561 1248 G N -4.746 104.008 108.800 -0.077 0.000 2.367 1248 G HA2 -0.069 3.351 3.960 -0.899 0.000 0.272 1248 G HA3 -0.069 3.765 3.960 -0.503 -0.176 0.272 1248 G C -2.970 171.739 174.900 -0.319 0.000 1.271 1248 G CA -0.122 44.699 45.100 -0.465 0.000 0.893 1248 G HN -0.971 7.268 8.290 -0.009 0.045 0.485 1249 E N 0.992 120.945 120.200 -0.412 0.000 2.113 1249 E HA 0.205 4.485 4.350 -0.117 0.000 0.273 1249 E C -0.671 175.804 176.600 -0.207 0.000 0.924 1249 E CA -1.876 54.401 56.400 -0.204 0.000 0.764 1249 E CB 1.593 31.203 29.700 -0.150 0.000 1.104 1249 E HN -0.184 8.021 8.360 -0.559 -0.180 0.406 1250 I N 7.781 128.251 120.570 -0.167 0.000 2.471 1250 I HA -0.069 4.126 4.170 -0.287 -0.198 0.286 1250 I C 0.246 176.225 176.117 -0.230 0.000 1.079 1250 I CA 0.363 61.522 61.300 -0.236 0.000 1.398 1250 I CB 0.284 38.145 38.000 -0.231 0.000 1.403 1250 I HN 0.644 8.782 8.210 -0.119 0.000 0.530 1251 T N 3.960 118.339 114.554 -0.291 0.000 2.985 1251 T HA 0.132 4.389 4.350 -0.155 0.000 0.254 1251 T C -0.567 174.006 174.700 -0.212 0.000 1.021 1251 T CA -0.862 61.107 62.100 -0.219 0.000 0.957 1251 T CB 1.228 69.969 68.868 -0.212 0.000 1.047 1251 T HN 0.357 8.380 8.240 -0.362 0.000 0.511 1252 A N -0.144 122.470 122.820 -0.342 0.000 2.599 1252 A HA 0.232 4.644 4.320 -0.060 -0.128 0.294 1252 A C -3.120 174.283 177.584 -0.301 0.000 1.055 1252 A CA 0.252 52.169 52.037 -0.200 0.000 0.683 1252 A CB 2.162 21.122 19.000 -0.066 0.000 1.278 1252 A HN -0.848 7.019 8.150 -0.472 0.000 0.412 1253 Y N -1.099 119.374 120.300 0.287 0.000 2.509 1253 Y HA 0.695 5.676 4.550 0.426 -0.176 0.341 1253 Y C -0.726 175.408 175.900 0.390 0.000 1.038 1253 Y CA -1.447 56.881 58.100 0.380 0.000 1.089 1253 Y CB 4.129 42.832 38.460 0.404 0.000 1.241 1253 Y HN 0.167 8.668 8.280 0.369 0.000 0.468 1254 E N 0.394 120.835 120.200 0.401 0.000 2.224 1254 E HA 0.379 4.811 4.350 0.137 0.000 0.265 1254 E C -1.947 174.623 176.600 -0.049 0.000 0.878 1254 E CA -1.762 54.681 56.400 0.072 0.000 0.759 1254 E CB 3.894 33.395 29.700 -0.331 0.000 1.164 1254 E HN 0.084 8.691 8.360 0.411 0.000 0.414 1255 V N 7.540 127.444 119.914 -0.017 0.000 2.427 1255 V HA 0.604 4.875 4.120 -0.115 -0.220 0.286 1255 V C -0.729 175.390 176.094 0.043 0.000 1.034 1255 V CA -1.125 61.158 62.300 -0.029 0.000 0.893 1255 V CB 1.839 33.694 31.823 0.052 0.000 0.982 1255 V HN 0.444 8.664 8.190 0.051 0.000 0.452 1256 C N 5.869 125.191 119.300 0.037 0.000 2.614 1256 C HA 1.018 5.681 4.460 0.022 -0.189 0.320 1256 C C -1.285 173.787 174.990 0.136 0.000 1.200 1256 C CA -2.025 57.010 59.018 0.028 0.000 1.700 1256 C CB 3.567 31.262 27.740 -0.076 0.000 2.275 1256 C HN 0.377 8.614 8.230 0.011 0.000 0.492 1257 Y N -2.566 117.705 120.300 -0.048 0.000 2.609 1257 Y HA 1.119 5.773 4.550 -0.195 -0.221 0.336 1257 Y C -2.103 173.760 175.900 -0.063 0.000 1.129 1257 Y CA -2.745 55.271 58.100 -0.140 0.000 1.040 1257 Y CB 3.063 41.376 38.460 -0.246 0.000 1.310 1257 Y HN 0.570 8.658 8.280 -0.320 0.000 0.460 1258 G N -2.690 106.120 108.800 0.016 0.000 2.632 1258 G HA2 0.316 4.262 3.960 -0.024 0.000 0.292 1258 G HA3 0.316 4.208 3.960 -0.114 0.000 0.292 1258 G C -2.874 171.989 174.900 -0.061 0.000 1.465 1258 G CA -0.162 44.923 45.100 -0.026 0.000 0.824 1258 G HN -0.126 8.199 8.290 0.058 0.000 0.509 1259 L N 1.075 122.149 121.223 -0.249 0.000 2.456 1259 L HA 0.147 4.111 4.340 -0.854 -0.137 0.272 1259 L C 0.425 177.137 176.870 -0.263 0.000 1.189 1259 L CA 0.824 55.372 54.840 -0.487 0.000 0.846 1259 L CB 0.425 42.246 42.059 -0.395 0.000 1.111 1259 L HN 0.430 8.554 8.230 -0.176 0.000 0.475 1260 V N -4.171 115.596 119.914 -0.245 0.000 3.040 1260 V HA 0.678 4.885 4.120 -0.122 -0.161 0.312 1260 V C -1.286 174.736 176.094 -0.120 0.000 1.115 1260 V CA -3.078 59.139 62.300 -0.138 0.000 0.998 1260 V CB 3.456 35.226 31.823 -0.088 0.000 1.042 1260 V HN -0.326 7.685 8.190 -0.300 0.000 0.433 1261 N N 0.652 119.302 118.700 -0.083 0.000 2.386 1261 N HA -0.045 4.652 4.740 -0.071 0.000 0.291 1261 N C 0.404 175.886 175.510 -0.047 0.000 1.309 1261 N CA -0.317 52.694 53.050 -0.064 0.000 0.948 1261 N CB 0.451 38.907 38.487 -0.051 0.000 1.083 1261 N HN 0.195 8.531 8.380 -0.074 0.000 0.527 1262 D N -3.184 117.195 120.400 -0.034 0.000 2.323 1262 D HA -0.038 4.588 4.640 -0.024 0.000 0.209 1262 D C -0.384 175.906 176.300 -0.018 0.000 0.973 1262 D CA 1.887 55.873 54.000 -0.024 0.000 0.874 1262 D CB -0.352 40.436 40.800 -0.019 0.000 0.930 1262 D HN 0.261 8.611 8.370 -0.033 0.000 0.521 1263 D N -1.606 118.782 120.400 -0.020 0.000 2.491 1263 D HA 0.155 4.788 4.640 -0.011 0.000 0.228 1263 D C -0.805 175.486 176.300 -0.016 0.000 1.183 1263 D CA -0.901 53.090 54.000 -0.015 0.000 0.827 1263 D CB -1.053 39.738 40.800 -0.015 0.000 0.989 1263 D HN -0.601 7.968 8.370 -0.025 -0.214 0.494 1264 N N -1.539 117.149 118.700 -0.019 0.000 2.708 1264 N HA -0.531 4.197 4.740 -0.021 0.000 0.249 1264 N C -1.772 173.722 175.510 -0.027 0.000 1.097 1264 N CA 1.380 54.419 53.050 -0.018 0.000 0.710 1264 N CB -0.781 37.704 38.487 -0.004 0.000 1.032 1264 N HN -0.366 7.930 8.380 -0.020 0.071 0.551 1265 R N -0.740 119.739 120.500 -0.035 0.000 2.229 1265 R HA 0.428 4.747 4.340 -0.035 0.000 0.328 1265 R C -2.750 173.517 176.300 -0.055 0.000 1.009 1265 R CA -2.822 53.254 56.100 -0.039 0.000 0.864 1265 R CB 1.481 31.760 30.300 -0.035 0.000 1.085 1265 R HN -0.554 7.945 8.270 -0.037 -0.251 0.453 1266 P HA 0.059 4.613 4.420 -0.087 -0.186 0.268 1266 P C -0.734 176.520 177.300 -0.076 0.000 1.204 1266 P CA 0.011 63.066 63.100 -0.074 0.000 0.768 1266 P CB 0.569 32.228 31.700 -0.070 0.000 0.842 1267 I N 5.249 125.761 120.570 -0.095 0.000 2.313 1267 I HA -0.045 4.082 4.170 -0.072 0.000 0.286 1267 I C -0.608 175.458 176.117 -0.085 0.000 1.091 1267 I CA -0.366 60.882 61.300 -0.088 0.000 1.216 1267 I CB -0.849 37.089 38.000 -0.103 0.000 1.434 1267 I HN -0.107 7.923 8.210 -0.115 0.111 0.487 1268 G N 5.765 114.524 108.800 -0.070 0.000 2.756 1268 G HA2 -0.194 3.732 3.960 -0.058 0.000 0.678 1268 G HA3 -0.194 3.726 3.960 -0.066 0.000 0.678 1268 G C -2.923 171.930 174.900 -0.078 0.000 1.349 1268 G CA -1.181 43.879 45.100 -0.067 0.000 0.847 1268 G HN -0.208 8.044 8.290 -0.063 0.000 0.548 1269 P HA 0.092 4.461 4.420 -0.084 0.000 0.274 1269 P C -1.083 176.142 177.300 -0.126 0.000 1.231 1269 P CA -0.470 62.576 63.100 -0.091 0.000 0.790 1269 P CB 0.811 32.461 31.700 -0.082 0.000 0.951 1270 M N 0.111 119.628 119.600 -0.137 0.000 2.232 1270 M HA -0.144 4.312 4.480 -0.219 -0.107 0.321 1270 M C 0.335 176.489 176.300 -0.244 0.000 1.101 1270 M CA -0.150 55.034 55.300 -0.194 0.000 1.181 1270 M CB 0.696 33.201 32.600 -0.158 0.000 1.432 1270 M HN -0.057 8.162 8.290 -0.118 0.000 0.457 1271 K N 1.212 121.368 120.400 -0.405 0.000 2.221 1271 K HA 0.308 4.472 4.320 -0.259 0.000 0.258 1271 K C -1.738 174.679 176.600 -0.306 0.000 0.944 1271 K CA -1.264 54.782 56.287 -0.401 0.000 0.823 1271 K CB 2.205 34.336 32.500 -0.616 0.000 1.113 1271 K HN 0.373 8.298 8.250 -0.543 0.000 0.431 1272 K N 4.791 125.097 120.400 -0.156 0.000 2.172 1272 K HA 0.158 4.432 4.320 -0.076 0.000 0.276 1272 K C -0.374 176.231 176.600 0.008 0.000 1.013 1272 K CA -0.585 55.655 56.287 -0.078 0.000 0.913 1272 K CB 1.291 33.738 32.500 -0.088 0.000 1.055 1272 K HN 0.259 8.426 8.250 -0.138 0.000 0.461 1273 V N 5.845 125.803 119.914 0.073 0.000 2.427 1273 V HA 0.014 4.214 4.120 0.133 0.000 0.286 1273 V C -1.400 174.751 176.094 0.096 0.000 1.034 1273 V CA -0.328 62.048 62.300 0.127 0.000 0.893 1273 V CB 0.961 32.898 31.823 0.189 0.000 0.982 1273 V HN 0.025 8.254 8.190 0.066 0.000 0.452 1274 L N 7.437 128.714 121.223 0.090 0.000 2.322 1274 L HA 0.353 4.752 4.340 0.097 0.000 0.281 1274 L C -0.953 175.974 176.870 0.094 0.000 1.014 1274 L CA -0.871 54.022 54.840 0.087 0.000 0.815 1274 L CB 1.648 43.746 42.059 0.065 0.000 1.247 1274 L HN 0.130 8.413 8.230 0.088 0.000 0.421 1275 V N 0.956 120.933 119.914 0.105 0.000 3.078 1275 V HA 0.405 4.575 4.120 0.082 0.000 0.311 1275 V C -0.794 175.352 176.094 0.086 0.000 1.138 1275 V CA -1.842 60.516 62.300 0.096 0.000 1.007 1275 V CB 2.625 34.516 31.823 0.115 0.000 1.045 1275 V HN -0.420 7.840 8.190 0.116 0.000 0.432 1276 D N 1.158 121.598 120.400 0.068 0.000 2.123 1276 D HA -0.206 4.466 4.640 0.053 0.000 0.196 1276 D C -0.385 175.952 176.300 0.061 0.000 0.992 1276 D CA 2.143 56.176 54.000 0.056 0.000 0.833 1276 D CB 0.366 41.191 40.800 0.042 0.000 0.954 1276 D HN 0.022 8.429 8.370 0.062 0.000 0.455 1277 N N -2.869 115.874 118.700 0.071 0.000 2.626 1277 N HA 0.233 5.015 4.740 0.070 0.000 0.249 1277 N C -1.444 174.139 175.510 0.120 0.000 1.021 1277 N CA -2.726 50.370 53.050 0.077 0.000 0.886 1277 N CB 0.025 38.545 38.487 0.055 0.000 1.149 1277 N HN -0.206 8.218 8.380 0.073 0.000 0.517 1278 P HA 0.076 4.650 4.420 0.258 0.000 0.241 1278 P C 0.290 177.766 177.300 0.294 0.000 1.191 1278 P CA 0.801 64.035 63.100 0.224 0.000 0.771 1278 P CB 0.470 32.288 31.700 0.196 0.000 0.929 1279 K N -1.453 119.071 120.400 0.206 0.000 2.365 1279 K HA -0.175 4.322 4.320 0.295 0.000 0.197 1279 K C -0.377 176.396 176.600 0.289 0.000 1.042 1279 K CA 0.946 57.380 56.287 0.246 0.000 0.987 1279 K CB -0.137 32.429 32.500 0.111 0.000 0.779 1279 K HN -0.414 8.136 8.250 0.144 -0.214 0.484 1280 N N 0.077 118.880 118.700 0.171 0.000 2.454 1280 N HA -0.230 4.490 4.740 -0.033 0.000 0.254 1280 N C -0.599 174.828 175.510 -0.138 0.000 1.228 1280 N CA 0.694 53.753 53.050 0.014 0.000 0.900 1280 N CB 0.607 39.088 38.487 -0.010 0.000 1.089 1280 N HN -0.905 7.542 8.380 0.159 0.028 0.449 1281 R N -0.738 119.452 120.500 -0.517 0.000 2.694 1281 R HA 0.130 3.367 4.340 -1.839 0.000 0.334 1281 R C -1.875 173.457 176.300 -1.613 0.000 1.143 1281 R CA -0.546 54.697 56.100 -1.429 0.000 1.073 1281 R CB -0.098 29.443 30.300 -1.265 0.000 1.366 1281 R HN 0.409 8.426 8.270 -0.421 0.000 0.577 1282 M N -3.572 115.485 119.600 -0.905 0.000 2.520 1282 M HA 0.904 5.163 4.480 -0.679 -0.187 0.280 1282 M C -2.421 173.762 176.300 -0.195 0.000 1.232 1282 M CA -0.891 54.075 55.300 -0.558 0.000 0.892 1282 M CB 4.067 36.446 32.600 -0.369 0.000 1.728 1282 M HN -0.867 7.004 8.290 -0.594 0.062 0.475 1283 L N 1.973 123.159 121.223 -0.060 0.000 2.482 1283 L HA 0.437 4.788 4.340 0.018 0.000 0.263 1283 L C -2.845 174.016 176.870 -0.016 0.000 0.957 1283 L CA -0.573 54.283 54.840 0.027 0.000 0.836 1283 L CB 5.019 47.169 42.059 0.151 0.000 1.324 1283 L HN 0.671 8.855 8.230 -0.077 0.000 0.406 1284 L N 5.244 126.455 121.223 -0.020 0.000 2.307 1284 L HA 0.544 4.981 4.340 -0.042 -0.122 0.282 1284 L C -1.927 174.920 176.870 -0.039 0.000 1.051 1284 L CA -1.410 53.410 54.840 -0.033 0.000 0.804 1284 L CB 2.851 44.892 42.059 -0.030 0.000 1.197 1284 L HN 0.249 8.473 8.230 -0.011 0.000 0.431 1285 I N 5.017 125.551 120.570 -0.060 0.000 2.447 1285 I HA 0.515 4.787 4.170 -0.108 -0.166 0.287 1285 I C -1.816 174.246 176.117 -0.091 0.000 1.023 1285 I CA -1.107 60.130 61.300 -0.106 0.000 1.083 1285 I CB 2.073 39.973 38.000 -0.167 0.000 1.245 1285 I HN 0.771 8.948 8.210 -0.055 0.000 0.434 1286 E N 5.719 125.871 120.200 -0.080 0.000 2.299 1286 E HA 0.561 5.009 4.350 -0.050 -0.128 0.260 1286 E C -0.684 175.886 176.600 -0.050 0.000 0.944 1286 E CA -2.686 53.683 56.400 -0.052 0.000 0.815 1286 E CB 3.410 33.094 29.700 -0.026 0.000 1.252 1286 E HN 0.677 8.991 8.360 -0.078 0.000 0.418 1287 N N -3.196 115.490 118.700 -0.023 0.000 2.740 1287 N HA -0.469 4.277 4.740 0.010 0.000 0.248 1287 N C -0.591 174.922 175.510 0.004 0.000 1.062 1287 N CA 1.257 54.308 53.050 0.001 0.000 0.704 1287 N CB -1.627 36.870 38.487 0.015 0.000 0.968 1287 N HN 0.458 8.827 8.380 -0.017 0.000 0.547 1288 L N -3.027 118.176 121.223 -0.034 0.000 2.452 1288 L HA -0.212 4.102 4.340 -0.043 0.000 0.267 1288 L C 0.355 177.291 176.870 0.110 0.000 1.188 1288 L CA 0.435 55.251 54.840 -0.039 0.000 0.821 1288 L CB 0.762 42.701 42.059 -0.200 0.000 1.102 1288 L HN -0.486 7.692 8.230 -0.051 0.022 0.470 1289 R N 0.879 121.541 120.500 0.271 0.000 2.489 1289 R HA -0.106 4.319 4.340 0.141 0.000 0.287 1289 R C 0.006 176.412 176.300 0.177 0.000 1.053 1289 R CA 0.161 56.386 56.100 0.208 0.000 1.036 1289 R CB 0.372 30.790 30.300 0.197 0.000 0.966 1289 R HN -0.209 8.329 8.270 0.446 0.000 0.432 1290 E N 5.009 125.269 120.200 0.102 0.000 2.415 1290 E HA -0.281 4.116 4.350 0.077 0.000 0.263 1290 E C 0.014 176.656 176.600 0.069 0.000 0.995 1290 E CA 1.505 57.950 56.400 0.075 0.000 0.915 1290 E CB 0.207 29.935 29.700 0.048 0.000 0.951 1290 E HN 0.223 8.633 8.360 0.083 0.000 0.449 1291 S N -2.117 113.622 115.700 0.065 0.000 3.561 1291 S HA -0.511 4.106 4.470 0.044 -0.122 0.318 1291 S C -1.207 173.417 174.600 0.041 0.000 1.181 1291 S CA 0.832 59.059 58.200 0.045 0.000 0.916 1291 S CB -0.861 62.354 63.200 0.026 0.000 0.966 1291 S HN 0.618 8.969 8.310 0.068 0.000 0.550 1292 Q N 0.666 120.509 119.800 0.072 0.000 2.333 1292 Q HA 0.431 4.758 4.340 -0.021 0.000 0.267 1292 Q C -2.410 173.610 176.000 0.034 0.000 1.012 1292 Q CA -3.266 52.542 55.803 0.009 0.000 0.824 1292 Q CB 1.852 30.558 28.738 -0.053 0.000 1.290 1292 Q HN -0.754 7.558 8.270 0.123 0.032 0.449 1293 P HA 0.026 4.661 4.420 0.094 -0.159 0.271 1293 P C -1.430 175.809 177.300 -0.103 0.000 1.216 1293 P CA -0.442 62.661 63.100 0.007 0.000 0.776 1293 P CB 0.544 32.229 31.700 -0.026 0.000 0.881 1294 Y N 0.729 121.021 120.300 -0.014 0.000 2.499 1294 Y HA 0.415 5.038 4.550 -0.113 -0.141 0.347 1294 Y C -1.073 174.748 175.900 -0.131 0.000 0.987 1294 Y CA -1.216 56.809 58.100 -0.126 0.000 1.044 1294 Y CB 4.793 43.071 38.460 -0.302 0.000 1.245 1294 Y HN 0.160 8.628 8.280 0.312 0.000 0.461 1295 R N 1.209 121.694 120.500 -0.025 0.000 2.312 1295 R HA 0.462 5.031 4.340 0.118 -0.157 0.311 1295 R C -1.665 174.576 176.300 -0.099 0.000 1.004 1295 R CA -1.337 54.773 56.100 0.016 0.000 0.902 1295 R CB 2.421 32.725 30.300 0.007 0.000 1.073 1295 R HN 0.205 8.446 8.270 -0.049 0.000 0.457 1296 Y N 5.682 126.110 120.300 0.213 0.000 2.393 1296 Y HA 0.723 5.583 4.550 0.230 -0.171 0.341 1296 Y C -0.357 175.611 175.900 0.113 0.000 0.988 1296 Y CA -1.892 56.338 58.100 0.217 0.000 1.078 1296 Y CB 3.425 42.080 38.460 0.326 0.000 1.203 1296 Y HN 0.595 9.151 8.280 0.460 0.000 0.453 1297 T N -1.834 112.823 114.554 0.171 0.000 2.900 1297 T HA 0.999 5.602 4.350 0.052 -0.222 0.295 1297 T C -1.108 173.548 174.700 -0.073 0.000 1.044 1297 T CA -2.632 59.493 62.100 0.041 0.000 0.995 1297 T CB 3.367 72.234 68.868 0.000 0.000 1.072 1297 T HN 0.725 9.061 8.240 0.160 0.000 0.473 1298 V N 2.677 122.491 119.914 -0.167 0.000 2.638 1298 V HA 0.836 4.992 4.120 -0.312 -0.224 0.306 1298 V C -1.840 174.162 176.094 -0.153 0.000 1.052 1298 V CA -1.556 60.544 62.300 -0.332 0.000 0.885 1298 V CB 3.415 34.735 31.823 -0.838 0.000 0.999 1298 V HN 0.362 8.476 8.190 -0.126 0.000 0.424 1299 K N 3.680 124.066 120.400 -0.022 0.000 2.444 1299 K HA 0.600 4.999 4.320 0.131 0.000 0.252 1299 K C -2.273 174.579 176.600 0.419 0.000 0.993 1299 K CA -2.488 53.898 56.287 0.164 0.000 0.847 1299 K CB 4.291 36.877 32.500 0.143 0.000 1.340 1299 K HN 0.067 8.302 8.250 -0.024 0.000 0.446 1300 A N -0.848 122.192 122.820 0.367 0.000 2.355 1300 A HA 0.759 5.245 4.320 0.036 -0.145 0.324 1300 A C -2.015 175.494 177.584 -0.124 0.000 1.117 1300 A CA -2.021 50.080 52.037 0.108 0.000 0.785 1300 A CB 3.738 22.755 19.000 0.028 0.000 1.254 1300 A HN 0.524 8.851 8.150 0.294 0.000 0.453 1301 R N 0.854 120.971 120.500 -0.638 0.000 2.562 1301 R HA 0.878 4.926 4.340 -0.815 -0.197 0.298 1301 R C -1.452 174.496 176.300 -0.586 0.000 0.961 1301 R CA -1.944 53.583 56.100 -0.955 0.000 0.881 1301 R CB 3.847 33.011 30.300 -1.894 0.000 1.159 1301 R HN 0.344 8.209 8.270 -0.676 0.000 0.450 1302 N N 4.144 122.573 118.700 -0.451 0.000 3.379 1302 N HA 0.485 5.122 4.740 -0.353 -0.108 0.350 1302 N C 1.216 176.534 175.510 -0.321 0.000 1.553 1302 N CA -1.523 51.317 53.050 -0.350 0.000 0.712 1302 N CB 1.429 39.744 38.487 -0.286 0.000 1.880 1302 N HN 0.008 8.135 8.380 -0.422 0.000 0.648 1303 G N -2.132 106.500 108.800 -0.279 0.000 2.470 1303 G HA2 -0.204 3.629 3.960 -0.210 0.000 0.220 1303 G HA3 -0.204 3.624 3.960 -0.220 0.000 0.220 1303 G C 0.071 174.859 174.900 -0.186 0.000 1.121 1303 G CA 1.713 46.678 45.100 -0.225 0.000 0.766 1303 G HN -0.037 8.275 8.290 -0.303 -0.204 0.553 1304 A N -0.998 121.714 122.820 -0.180 0.000 2.169 1304 A HA 0.012 4.265 4.320 -0.112 0.000 0.212 1304 A C -0.439 177.076 177.584 -0.115 0.000 1.153 1304 A CA 0.239 52.202 52.037 -0.124 0.000 0.756 1304 A CB 0.870 19.818 19.000 -0.087 0.000 0.813 1304 A HN -0.439 7.862 8.150 -0.199 -0.270 0.471 1305 G N -3.378 105.311 108.800 -0.186 0.000 2.318 1305 G HA2 -0.221 3.582 3.960 -0.261 0.000 0.367 1305 G HA3 -0.221 3.696 3.960 -0.072 0.000 0.367 1305 G C -2.866 171.882 174.900 -0.254 0.000 1.260 1305 G CA -0.791 44.194 45.100 -0.192 0.000 1.055 1305 G HN -0.699 7.382 8.290 -0.243 0.063 0.484 1306 W N 1.429 122.705 121.300 -0.040 0.000 2.316 1306 W HA 0.297 5.109 4.660 -0.046 -0.179 0.311 1306 W C 0.694 177.198 176.519 -0.024 0.000 1.217 1306 W CA 0.330 57.653 57.345 -0.036 0.000 1.199 1306 W CB 0.858 30.301 29.460 -0.029 0.000 1.202 1306 W HN 0.130 8.438 8.180 0.212 0.000 0.528 1307 G N 4.239 113.168 108.800 0.216 0.000 2.537 1307 G HA2 0.322 4.347 3.960 0.108 0.000 0.297 1307 G HA3 0.322 4.519 3.960 0.105 -0.175 0.297 1307 G C -2.334 172.651 174.900 0.141 0.000 1.310 1307 G CA -1.192 43.989 45.100 0.136 0.000 1.027 1307 G HN 0.332 8.754 8.290 0.219 0.000 0.505 1308 P HA 0.002 4.459 4.420 0.061 0.000 0.272 1308 P C -1.078 176.261 177.300 0.066 0.000 1.230 1308 P CA -0.053 63.089 63.100 0.070 0.000 0.788 1308 P CB 0.916 32.650 31.700 0.057 0.000 0.949 1309 E N -0.872 119.351 120.200 0.039 0.000 2.249 1309 E HA 0.323 4.856 4.350 0.016 -0.173 0.280 1309 E C -0.421 176.191 176.600 0.020 0.000 1.016 1309 E CA -0.957 55.454 56.400 0.017 0.000 0.830 1309 E CB 1.528 31.226 29.700 -0.005 0.000 1.081 1309 E HN 0.102 8.481 8.360 0.031 0.000 0.395 1310 R N 4.642 125.144 120.500 0.003 0.000 2.254 1310 R HA 0.126 4.486 4.340 0.033 0.000 0.318 1310 R C -1.705 174.611 176.300 0.026 0.000 1.031 1310 R CA -1.126 54.983 56.100 0.015 0.000 0.905 1310 R CB 1.423 31.723 30.300 -0.000 0.000 1.050 1310 R HN 0.291 8.550 8.270 -0.019 0.000 0.456 1311 E N 6.628 126.865 120.200 0.061 0.000 2.227 1311 E HA 0.756 5.363 4.350 0.109 -0.192 0.268 1311 E C -1.393 175.295 176.600 0.147 0.000 0.907 1311 E CA -1.724 54.735 56.400 0.098 0.000 0.786 1311 E CB 3.092 32.837 29.700 0.074 0.000 1.191 1311 E HN 0.378 8.774 8.360 0.061 0.000 0.411 1312 A N 5.373 128.332 122.820 0.233 0.000 2.486 1312 A HA 0.548 4.981 4.320 0.188 0.000 0.300 1312 A C -2.454 175.293 177.584 0.270 0.000 1.048 1312 A CA -0.619 51.576 52.037 0.264 0.000 0.696 1312 A CB 3.719 22.967 19.000 0.412 0.000 1.278 1312 A HN 0.688 9.004 8.150 0.277 0.000 0.405 1313 I N 1.958 122.619 120.570 0.152 0.000 2.362 1313 I HA 0.867 5.338 4.170 0.180 -0.193 0.289 1313 I C -0.226 175.910 176.117 0.030 0.000 0.994 1313 I CA -1.129 60.242 61.300 0.118 0.000 1.158 1313 I CB 1.523 39.563 38.000 0.066 0.000 1.315 1313 I HN 0.117 8.394 8.210 0.113 0.000 0.451 1314 I N 2.666 123.253 120.570 0.029 0.000 2.894 1314 I HA 0.434 4.544 4.170 -0.099 0.000 0.302 1314 I C -2.966 173.159 176.117 0.013 0.000 1.188 1314 I CA -1.558 59.675 61.300 -0.112 0.000 1.014 1314 I CB 4.090 41.770 38.000 -0.533 0.000 1.242 1314 I HN 0.351 8.655 8.210 0.157 0.000 0.430 1315 N N 3.063 121.753 118.700 -0.017 0.000 2.442 1315 N HA 0.378 5.179 4.740 0.102 0.000 0.274 1315 N C 0.449 175.960 175.510 0.002 0.000 1.002 1315 N CA -1.983 51.089 53.050 0.037 0.000 0.910 1315 N CB 1.132 39.635 38.487 0.026 0.000 1.244 1315 N HN 0.505 8.854 8.380 -0.051 0.000 0.492 1316 L N 5.310 126.548 121.223 0.024 0.000 2.187 1316 L HA -0.281 4.038 4.340 -0.035 0.000 0.213 1316 L C 1.485 178.357 176.870 0.003 0.000 1.100 1316 L CA 2.748 57.586 54.840 -0.002 0.000 0.765 1316 L CB -0.452 41.616 42.059 0.015 0.000 0.904 1316 L HN 0.772 9.043 8.230 0.069 0.000 0.437 1317 A N -1.509 121.321 122.820 0.017 0.000 1.940 1317 A HA -0.275 4.054 4.320 0.013 0.000 0.219 1317 A C 0.823 178.409 177.584 0.004 0.000 1.176 1317 A CA 2.385 54.429 52.037 0.013 0.000 0.631 1317 A CB -0.192 18.818 19.000 0.018 0.000 0.814 1317 A HN -0.509 7.859 8.150 0.028 -0.201 0.446 1318 T N -6.182 108.370 114.554 -0.003 0.000 3.144 1318 T HA -0.061 4.287 4.350 -0.003 0.000 0.249 1318 T C 0.582 175.275 174.700 -0.011 0.000 1.089 1318 T CA -0.428 61.668 62.100 -0.007 0.000 0.989 1318 T CB 0.348 69.211 68.868 -0.009 0.000 0.992 1318 T HN -0.656 7.560 8.240 -0.005 0.021 0.540 1319 Q N 2.321 122.113 119.800 -0.014 0.000 2.235 1319 Q HA 0.497 4.829 4.340 -0.013 0.000 0.256 1319 Q C -2.119 173.880 176.000 -0.003 0.000 0.951 1319 Q CA -3.297 52.498 55.803 -0.013 0.000 0.890 1319 Q CB 0.103 28.825 28.738 -0.026 0.000 1.279 1319 Q HN -0.509 7.583 8.270 -0.013 0.171 0.444 1320 P HA -0.115 4.308 4.420 0.004 0.000 0.266 1320 P C -1.451 175.852 177.300 0.006 0.000 1.195 1320 P CA 0.221 63.324 63.100 0.005 0.000 0.768 1320 P CB 0.542 32.246 31.700 0.007 0.000 0.838 1321 K N 0.754 121.157 120.400 0.004 0.000 2.159 1321 K HA 0.460 4.963 4.320 0.005 -0.179 0.266 1321 K C -0.054 176.547 176.600 0.003 0.000 0.975 1321 K CA -1.822 54.468 56.287 0.004 0.000 0.865 1321 K CB 1.521 34.023 32.500 0.003 0.000 1.087 1321 K HN -0.048 8.204 8.250 0.004 0.000 0.446 1322 R N 3.234 123.735 120.500 0.002 0.000 2.564 1322 R HA 0.454 4.793 4.340 -0.001 0.000 0.284 1322 R C -2.411 173.887 176.300 -0.004 0.000 1.031 1322 R CA -2.676 53.423 56.100 -0.001 0.000 0.904 1322 R CB 2.341 32.640 30.300 -0.001 0.000 1.199 1322 R HN 0.256 8.528 8.270 0.002 0.000 0.443 1323 P HA -0.006 4.411 4.420 -0.006 0.000 0.268 1323 P C -1.359 175.935 177.300 -0.010 0.000 1.208 1323 P CA 0.037 63.133 63.100 -0.006 0.000 0.777 1323 P CB 0.696 32.393 31.700 -0.006 0.000 0.875 1324 M N 1.336 120.929 119.600 -0.011 0.000 2.464 1324 M HA 0.249 4.718 4.480 -0.017 0.000 0.308 1324 M C -0.826 175.464 176.300 -0.015 0.000 1.127 1324 M CA -0.416 54.875 55.300 -0.016 0.000 0.913 1324 M CB 2.334 34.923 32.600 -0.019 0.000 1.689 1324 M HN -0.153 8.131 8.290 -0.010 0.000 0.445 1325 S N 4.073 119.762 115.700 -0.017 0.000 2.451 1325 S HA 0.289 4.750 4.470 -0.014 0.000 0.301 1325 S C -1.220 173.368 174.600 -0.019 0.000 1.116 1325 S CA -0.285 57.905 58.200 -0.016 0.000 1.093 1325 S CB 0.591 63.782 63.200 -0.016 0.000 1.017 1325 S HN 0.191 8.489 8.310 -0.019 0.000 0.482 1326 I N 5.201 125.761 120.570 -0.017 0.000 2.410 1326 I HA 0.289 4.446 4.170 -0.021 0.000 0.286 1326 I C -2.056 174.052 176.117 -0.015 0.000 1.009 1326 I CA -2.508 58.781 61.300 -0.018 0.000 1.111 1326 I CB 1.231 39.221 38.000 -0.016 0.000 1.262 1326 I HN 0.054 8.255 8.210 -0.014 0.000 0.443 1327 P HA 0.110 4.523 4.420 -0.012 0.000 0.268 1327 P C -1.305 175.989 177.300 -0.010 0.000 1.205 1327 P CA -0.486 62.606 63.100 -0.013 0.000 0.771 1327 P CB 0.622 32.314 31.700 -0.015 0.000 0.858 1328 I N 3.850 124.415 120.570 -0.008 0.000 2.227 1328 I HA 0.043 4.210 4.170 -0.006 0.000 0.297 1328 I C -0.478 175.636 176.117 -0.005 0.000 1.173 1328 I CA 0.280 61.576 61.300 -0.006 0.000 1.356 1328 I CB -1.246 36.752 38.000 -0.005 0.000 1.485 1328 I HN 0.133 8.338 8.210 -0.008 0.000 0.604 1329 I N 2.036 122.603 120.570 -0.005 0.000 3.074 1329 I HA 0.635 4.803 4.170 -0.003 0.000 0.310 1329 I C -2.627 173.489 176.117 -0.002 0.000 1.153 1329 I CA -3.811 57.486 61.300 -0.004 0.000 0.993 1329 I CB 0.754 38.750 38.000 -0.006 0.000 1.237 1329 I HN -0.456 7.750 8.210 -0.006 0.000 0.443 1330 P HA 0.011 4.433 4.420 0.003 0.000 0.272 1330 P C -1.521 175.781 177.300 0.003 0.000 1.223 1330 P CA 0.373 63.474 63.100 0.002 0.000 0.784 1330 P CB 0.303 32.005 31.700 0.003 0.000 0.923 1331 D N -2.906 117.498 120.400 0.006 0.000 2.981 1331 D HA -0.336 4.312 4.640 0.013 0.000 0.223 1331 D C -0.327 175.978 176.300 0.008 0.000 1.151 1331 D CA 0.729 54.735 54.000 0.010 0.000 0.827 1331 D CB -1.438 39.369 40.800 0.011 0.000 1.101 1331 D HN 0.136 8.510 8.370 0.007 0.000 0.426 1332 I N 0.437 121.009 120.570 0.004 0.000 2.741 1332 I HA -0.039 4.128 4.170 -0.005 0.000 0.288 1332 I C -1.026 175.095 176.117 0.006 0.000 1.192 1332 I CA -2.397 58.902 61.300 -0.001 0.000 1.426 1332 I CB -0.840 37.157 38.000 -0.005 0.000 1.367 1332 I HN -0.123 8.060 8.210 0.003 0.029 0.563 1333 P HA 0.218 4.654 4.420 0.028 0.000 0.244 1333 P C -2.097 175.211 177.300 0.013 0.000 1.769 1333 P CA -0.525 62.586 63.100 0.019 0.000 1.102 1333 P CB -1.770 29.943 31.700 0.022 0.000 1.937 1334 I N 2.544 123.121 120.570 0.012 0.000 2.433 1334 I HA 0.555 4.921 4.170 -0.002 -0.198 0.292 1334 I C -1.456 174.668 176.117 0.012 0.000 1.001 1334 I CA -2.115 59.188 61.300 0.004 0.000 1.119 1334 I CB 2.858 40.856 38.000 -0.003 0.000 1.289 1334 I HN -0.327 7.861 8.210 0.015 0.031 0.438 1335 V N 9.238 129.152 119.914 0.001 0.000 2.459 1335 V HA 0.216 4.357 4.120 0.035 0.000 0.295 1335 V C -2.065 174.021 176.094 -0.012 0.000 1.029 1335 V CA -1.498 60.807 62.300 0.009 0.000 0.874 1335 V CB 3.508 35.331 31.823 0.000 0.000 0.985 1335 V HN 0.609 8.790 8.190 -0.015 0.000 0.438 1336 D N 7.213 127.626 120.400 0.022 0.000 2.347 1336 D HA 0.123 4.765 4.640 0.002 0.000 0.235 1336 D C -0.111 176.226 176.300 0.060 0.000 1.149 1336 D CA -0.738 53.277 54.000 0.025 0.000 0.850 1336 D CB 0.815 41.637 40.800 0.037 0.000 1.061 1336 D HN 0.408 8.803 8.370 0.042 0.000 0.487 1337 A N 6.047 128.882 122.820 0.025 0.000 2.206 1337 A HA 0.111 4.564 4.320 0.221 0.000 0.211 1337 A C 0.084 177.790 177.584 0.204 0.000 1.158 1337 A CA 0.824 52.925 52.037 0.107 0.000 0.761 1337 A CB 0.639 19.584 19.000 -0.092 0.000 0.801 1337 A HN 0.499 8.640 8.150 -0.015 0.000 0.473 1338 Q N -2.324 117.551 119.800 0.125 0.000 2.263 1338 Q HA 0.176 4.597 4.340 0.134 0.000 0.337 1338 Q C -1.491 174.558 176.000 0.083 0.000 0.906 1338 Q CA -0.848 55.023 55.803 0.112 0.000 1.124 1338 Q CB 0.270 29.062 28.738 0.090 0.000 1.255 1338 Q HN -0.251 8.314 8.270 0.091 -0.240 0.435 1339 S N 0.000 115.755 115.700 0.091 0.000 2.498 1339 S HA 0.000 4.502 4.470 0.053 0.000 0.327 1339 S CA 0.000 58.239 58.200 0.065 0.000 1.107 1339 S CB 0.000 63.234 63.200 0.057 0.000 0.593 1339 S HN 0.000 8.324 8.310 0.118 0.057 0.517