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 2bzm_1_A DATA FIRST_RESID 1103 DATA SEQUENCE EAEFGKcGPP PPIDNGDITS FPLSVYAPAS SVEYQcQNLY QLEGNKRITc DATA SEQUENCE RNGQWSEPPK cLHPcVISRE IMENYNIALR WTAKQKLYSR TGESVEFVcK DATA SEQUENCE RGYRLSSRSH TLRTTcWDGK LEYPTcAKR 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 1103 E HA 0.000 4.397 4.350 0.079 0.000 0.291 1103 E C 0.000 176.642 176.600 0.069 0.000 1.382 1103 E CA 0.000 56.458 56.400 0.097 0.000 0.976 1103 E CB 0.000 29.737 29.700 0.062 0.000 0.812 1104 A N 0.887 123.742 122.820 0.059 0.000 2.063 1104 A HA 0.214 4.536 4.320 0.004 0.000 0.211 1104 A C 0.941 178.511 177.584 -0.024 0.000 1.177 1104 A CA 1.000 53.044 52.037 0.012 0.000 0.759 1104 A CB 0.262 19.264 19.000 0.004 0.000 0.857 1104 A HN -0.056 8.142 8.150 0.081 0.000 0.468 1105 E N -1.953 118.223 120.200 -0.041 0.000 2.132 1105 E HA 0.044 4.288 4.350 -0.178 0.000 0.193 1105 E C -0.292 176.132 176.600 -0.293 0.000 0.951 1105 E CA 0.139 56.410 56.400 -0.217 0.000 0.843 1105 E CB 0.439 29.917 29.700 -0.370 0.000 0.807 1105 E HN 0.077 8.458 8.360 0.036 0.000 0.467 1106 F N 0.644 120.590 119.950 -0.007 0.000 2.413 1106 F HA -0.017 4.509 4.527 -0.002 0.000 0.359 1106 F C -0.564 175.229 175.800 -0.011 0.000 1.122 1106 F CA -0.084 57.912 58.000 -0.005 0.000 1.160 1106 F CB 0.357 39.356 39.000 -0.002 0.000 1.146 1106 F HN -0.449 7.972 8.300 0.200 0.000 0.514 1107 G N 0.303 109.171 108.800 0.114 0.000 4.882 1107 G HA2 -0.040 3.935 3.960 0.025 0.000 0.210 1107 G HA3 -0.040 3.964 3.960 0.073 0.000 0.210 1107 G C -1.805 173.107 174.900 0.020 0.000 0.811 1107 G CA 0.117 45.251 45.100 0.056 0.000 0.832 1107 G HN 0.116 8.456 8.290 0.083 0.000 0.467 1108 K N 0.166 120.592 120.400 0.045 0.000 2.491 1108 K HA -0.096 4.235 4.320 0.018 0.000 0.279 1108 K C -0.176 176.456 176.600 0.054 0.000 1.026 1108 K CA 0.470 56.784 56.287 0.044 0.000 1.070 1108 K CB 0.194 32.737 32.500 0.072 0.000 0.887 1108 K HN -0.486 7.808 8.250 0.074 0.000 0.481 1109 c N 0.152 118.773 118.600 0.036 0.000 2.480 1109 c HA 0.224 4.822 4.570 0.046 0.000 0.344 1109 c C 0.925 175.166 174.090 0.251 0.000 1.380 1109 c CA -2.117 54.249 56.329 0.062 0.000 2.386 1109 c CB 1.126 43.507 42.510 -0.215 0.000 2.210 1109 c HN 0.567 8.803 8.230 0.010 0.000 0.640 1110 G N -2.411 106.601 108.800 0.353 0.000 3.008 1110 G HA2 0.500 4.610 3.960 0.249 0.000 0.181 1110 G HA3 0.500 4.731 3.960 0.282 -0.102 0.181 1110 G C -2.981 172.201 174.900 0.469 0.000 1.309 1110 G CA -1.169 44.138 45.100 0.345 0.000 1.009 1110 G HN 0.221 8.726 8.290 0.358 0.000 0.584 1111 P HA 0.444 5.181 4.420 0.168 -0.217 0.267 1111 P C -1.963 175.236 177.300 -0.169 0.000 1.205 1111 P CA -1.421 61.738 63.100 0.099 0.000 0.765 1111 P CB -0.378 31.338 31.700 0.026 0.000 0.828 1112 P HA 0.165 3.344 4.420 -2.068 0.000 0.282 1112 P C -1.985 175.006 177.300 -0.515 0.000 1.262 1112 P CA -2.050 60.240 63.100 -1.350 0.000 0.773 1112 P CB -0.524 30.036 31.700 -1.900 0.000 0.879 1113 P HA 0.027 4.382 4.420 -0.108 0.000 0.266 1113 P C -2.119 175.102 177.300 -0.130 0.000 1.195 1113 P CA -1.044 61.956 63.100 -0.165 0.000 0.768 1113 P CB -0.515 31.120 31.700 -0.108 0.000 0.838 1114 P HA 0.150 4.915 4.420 0.575 0.000 0.287 1114 P C -1.276 176.049 177.300 0.041 0.000 1.296 1114 P CA -1.751 61.440 63.100 0.152 0.000 0.811 1114 P CB 2.132 33.864 31.700 0.053 0.000 1.211 1115 I N -5.346 115.278 120.570 0.090 0.000 3.674 1115 I HA 0.195 4.357 4.170 -0.013 0.000 0.287 1115 I C 0.061 176.170 176.117 -0.013 0.000 1.270 1115 I CA -2.009 59.304 61.300 0.022 0.000 0.949 1115 I CB 1.269 39.300 38.000 0.053 0.000 1.474 1115 I HN -0.176 8.149 8.210 0.191 0.000 0.636 1116 D N 3.816 124.200 120.400 -0.027 0.000 2.429 1116 D HA -0.223 4.389 4.640 -0.047 0.000 0.253 1116 D C -0.553 175.686 176.300 -0.101 0.000 1.294 1116 D CA 1.703 55.672 54.000 -0.051 0.000 1.063 1116 D CB -1.366 39.407 40.800 -0.044 0.000 1.096 1116 D HN 0.317 8.677 8.370 -0.016 0.000 0.516 1117 N N 1.380 120.009 118.700 -0.118 0.000 2.901 1117 N HA -0.301 4.338 4.740 -0.168 0.000 0.248 1117 N C -1.198 174.202 175.510 -0.183 0.000 1.044 1117 N CA 0.979 53.912 53.050 -0.195 0.000 0.847 1117 N CB -1.951 36.327 38.487 -0.347 0.000 1.127 1117 N HN 0.212 8.531 8.380 -0.086 0.008 0.562 1118 G N -1.749 106.995 108.800 -0.093 0.000 2.606 1118 G HA2 0.476 4.450 3.960 0.024 0.000 0.262 1118 G HA3 0.476 4.433 3.960 -0.091 -0.051 0.262 1118 G C -1.992 172.859 174.900 -0.082 0.000 1.394 1118 G CA -0.773 44.295 45.100 -0.054 0.000 1.044 1118 G HN -0.527 7.534 8.290 -0.062 0.191 0.553 1119 D N -5.507 114.801 120.400 -0.153 0.000 3.138 1119 D HA -0.042 4.363 4.640 -0.392 0.000 0.293 1119 D C -1.222 174.373 176.300 -1.175 0.000 1.109 1119 D CA -0.515 53.175 54.000 -0.518 0.000 0.720 1119 D CB 0.793 41.387 40.800 -0.343 0.000 1.336 1119 D HN -0.217 8.115 8.370 -0.064 0.000 0.462 1120 I N -3.163 116.501 120.570 -1.510 0.000 3.003 1120 I HA -0.130 3.218 4.170 -1.574 -0.122 0.294 1120 I C 1.317 177.151 176.117 -0.471 0.000 1.237 1120 I CA 1.346 61.977 61.300 -1.115 0.000 1.417 1120 I CB 0.005 37.699 38.000 -0.511 0.000 1.340 1120 I HN 0.497 8.007 8.210 -1.167 0.000 0.594 1121 T N 0.227 114.631 114.554 -0.250 0.000 3.228 1121 T HA -0.153 4.125 4.350 -0.120 0.000 0.261 1121 T C -0.292 174.375 174.700 -0.055 0.000 1.171 1121 T CA 1.701 63.736 62.100 -0.109 0.000 1.056 1121 T CB 0.297 69.145 68.868 -0.033 0.000 0.938 1121 T HN 0.329 8.446 8.240 -0.205 0.000 0.539 1122 S N 0.437 116.106 115.700 -0.052 0.000 3.420 1122 S HA 0.048 4.537 4.470 0.033 0.000 0.173 1122 S C -1.242 173.423 174.600 0.108 0.000 0.800 1122 S CA 0.790 59.009 58.200 0.032 0.000 0.963 1122 S CB 1.405 64.643 63.200 0.063 0.000 1.236 1122 S HN -0.131 7.994 8.310 -0.115 0.117 0.827 1123 F N 1.148 121.050 119.950 -0.079 0.000 2.722 1123 F HA 0.247 4.716 4.527 -0.097 0.000 0.336 1123 F C -3.078 172.679 175.800 -0.071 0.000 1.216 1123 F CA -1.847 56.105 58.000 -0.080 0.000 1.065 1123 F CB 1.855 40.818 39.000 -0.061 0.000 1.325 1123 F HN -0.337 8.035 8.300 0.121 0.000 0.524 1124 P HA -0.139 4.151 4.420 -0.216 0.000 0.262 1124 P C -1.911 175.277 177.300 -0.186 0.000 1.151 1124 P CA 0.129 63.006 63.100 -0.370 0.000 0.757 1124 P CB 0.273 31.666 31.700 -0.510 0.000 0.754 1125 L N 1.516 122.718 121.223 -0.034 0.000 2.334 1125 L HA 0.338 4.662 4.340 -0.027 0.000 0.272 1125 L C 1.236 178.119 176.870 0.022 0.000 1.020 1125 L CA -1.197 53.614 54.840 -0.048 0.000 0.812 1125 L CB 1.118 42.960 42.059 -0.362 0.000 1.264 1125 L HN 0.071 8.331 8.230 0.050 0.000 0.439 1126 S N 1.818 117.530 115.700 0.020 0.000 2.427 1126 S HA -0.067 4.438 4.470 0.060 0.000 0.224 1126 S C -0.180 174.481 174.600 0.101 0.000 1.047 1126 S CA 2.045 60.279 58.200 0.056 0.000 0.953 1126 S CB 0.457 63.682 63.200 0.042 0.000 0.824 1126 S HN 0.302 8.611 8.310 -0.002 0.000 0.502 1127 V N 0.521 120.474 119.914 0.065 0.000 2.378 1127 V HA 0.113 4.329 4.120 0.161 0.000 0.288 1127 V C -1.259 174.888 176.094 0.088 0.000 1.016 1127 V CA -0.546 61.815 62.300 0.101 0.000 0.840 1127 V CB 1.033 32.893 31.823 0.061 0.000 0.994 1127 V HN -0.687 7.509 8.190 0.010 0.000 0.431 1128 Y N 7.532 127.944 120.300 0.187 0.000 2.528 1128 Y HA 0.108 4.772 4.550 0.190 0.000 0.335 1128 Y C -1.044 174.924 175.900 0.113 0.000 1.093 1128 Y CA -1.509 56.722 58.100 0.218 0.000 1.134 1128 Y CB 4.427 43.165 38.460 0.463 0.000 1.253 1128 Y HN 0.083 8.592 8.280 0.381 0.000 0.478 1129 A N 1.623 124.679 122.820 0.393 0.000 2.371 1129 A HA 0.237 4.623 4.320 0.110 0.000 0.257 1129 A C -1.974 175.640 177.584 0.049 0.000 1.089 1129 A CA -1.800 50.339 52.037 0.170 0.000 0.794 1129 A CB -0.639 18.448 19.000 0.146 0.000 1.029 1129 A HN 0.191 8.718 8.150 0.628 0.000 0.488 1130 P HA -0.122 4.198 4.420 -0.166 0.000 0.271 1130 P C -0.515 176.702 177.300 -0.138 0.000 1.216 1130 P CA 0.393 63.429 63.100 -0.106 0.000 0.776 1130 P CB 0.332 31.990 31.700 -0.071 0.000 0.881 1131 A N 0.123 122.810 122.820 -0.222 0.000 2.861 1131 A HA -0.413 3.916 4.320 -0.238 -0.152 0.261 1131 A C -0.984 176.487 177.584 -0.189 0.000 1.351 1131 A CA 1.040 52.957 52.037 -0.200 0.000 0.904 1131 A CB -1.709 17.220 19.000 -0.118 0.000 1.076 1131 A HN 0.054 8.033 8.150 -0.286 0.000 0.729 1132 S N -2.104 113.455 115.700 -0.236 0.000 2.586 1132 S HA 0.029 4.467 4.470 -0.054 0.000 0.274 1132 S C -0.874 173.608 174.600 -0.196 0.000 1.281 1132 S CA -0.234 57.889 58.200 -0.129 0.000 1.035 1132 S CB 2.121 65.340 63.200 0.032 0.000 0.962 1132 S HN -0.728 7.341 8.310 -0.306 0.057 0.512 1133 S N 1.193 116.887 115.700 -0.009 0.000 2.570 1133 S HA 0.958 5.697 4.470 0.149 -0.180 0.286 1133 S C -1.563 173.136 174.600 0.165 0.000 1.099 1133 S CA -1.907 56.345 58.200 0.087 0.000 0.913 1133 S CB 1.931 65.159 63.200 0.046 0.000 1.085 1133 S HN -0.137 8.193 8.310 0.032 0.000 0.480 1134 V N -2.563 117.478 119.914 0.211 0.000 3.206 1134 V HA 0.528 4.752 4.120 0.173 0.000 0.305 1134 V C -1.985 174.233 176.094 0.207 0.000 1.257 1134 V CA -2.904 59.518 62.300 0.203 0.000 1.057 1134 V CB 3.479 35.445 31.823 0.239 0.000 1.075 1134 V HN 0.341 8.682 8.190 0.251 0.000 0.443 1135 E N 0.113 120.422 120.200 0.182 0.000 2.301 1135 E HA 0.206 4.752 4.350 0.172 -0.093 0.275 1135 E C -1.334 175.410 176.600 0.241 0.000 1.030 1135 E CA -0.731 55.775 56.400 0.176 0.000 0.852 1135 E CB 2.037 31.799 29.700 0.104 0.000 1.060 1135 E HN 0.449 8.901 8.360 0.153 0.000 0.401 1136 Y N 0.366 120.659 120.300 -0.010 0.000 2.587 1136 Y HA 0.238 4.845 4.550 -0.041 -0.081 0.337 1136 Y C -1.010 174.877 175.900 -0.023 0.000 1.065 1136 Y CA -0.658 57.423 58.100 -0.032 0.000 1.126 1136 Y CB 3.391 41.819 38.460 -0.052 0.000 1.279 1136 Y HN 0.155 8.503 8.280 0.264 0.091 0.489 1137 Q N -0.255 119.544 119.800 -0.001 0.000 2.522 1137 Q HA 0.340 4.700 4.340 0.034 0.000 0.285 1137 Q C -2.244 173.734 176.000 -0.036 0.000 0.982 1137 Q CA -1.376 54.422 55.803 -0.008 0.000 0.805 1137 Q CB 5.351 34.069 28.738 -0.034 0.000 1.457 1137 Q HN 0.894 8.960 8.270 -0.161 0.107 0.394 1138 c N 0.806 119.400 118.600 -0.010 0.000 2.370 1138 c HA 0.207 4.737 4.570 -0.066 0.000 0.354 1138 c C 0.324 174.394 174.090 -0.033 0.000 1.218 1138 c CA -0.586 55.726 56.329 -0.028 0.000 2.154 1138 c CB -0.014 42.513 42.510 0.029 0.000 2.391 1138 c HN 0.683 8.918 8.230 0.008 0.000 0.540 1139 Q N 2.796 122.531 119.800 -0.109 0.000 2.614 1139 Q HA -0.318 3.988 4.340 -0.057 0.000 0.244 1139 Q C -0.026 175.992 176.000 0.030 0.000 1.097 1139 Q CA 0.752 56.503 55.803 -0.086 0.000 0.986 1139 Q CB 0.879 29.525 28.738 -0.154 0.000 1.308 1139 Q HN 0.099 8.268 8.270 -0.168 0.000 0.546 1140 N N -2.114 116.624 118.700 0.063 0.000 1.955 1140 N HA -0.402 4.390 4.740 0.087 0.000 0.125 1140 N C -0.765 174.837 175.510 0.152 0.000 0.824 1140 N CA 1.761 54.902 53.050 0.151 0.000 0.855 1140 N CB -0.250 38.417 38.487 0.301 0.000 0.810 1140 N HN 0.141 8.530 8.380 0.016 0.000 0.714 1141 L N -1.214 120.074 121.223 0.108 0.000 2.675 1141 L HA -0.086 4.247 4.340 -0.013 0.000 0.238 1141 L C -0.160 176.673 176.870 -0.061 0.000 1.155 1141 L CA -0.048 54.782 54.840 -0.017 0.000 0.881 1141 L CB -1.208 40.793 42.059 -0.097 0.000 1.008 1141 L HN -0.015 8.281 8.230 0.110 0.000 0.443 1142 Y N -0.612 119.632 120.300 -0.093 0.000 2.620 1142 Y HA -0.216 4.366 4.550 -0.126 -0.108 0.330 1142 Y C -0.365 175.458 175.900 -0.129 0.000 1.186 1142 Y CA 1.389 59.421 58.100 -0.113 0.000 1.467 1142 Y CB -0.190 38.210 38.460 -0.100 0.000 1.262 1142 Y HN -0.706 7.730 8.280 0.458 0.119 0.550 1143 Q N 2.975 122.732 119.800 -0.071 0.000 2.320 1143 Q HA 0.341 4.646 4.340 -0.058 0.000 0.268 1143 Q C -0.987 174.955 176.000 -0.096 0.000 1.023 1143 Q CA -2.311 53.420 55.803 -0.120 0.000 0.744 1143 Q CB 2.327 30.907 28.738 -0.263 0.000 1.246 1143 Q HN -0.201 7.983 8.270 -0.144 0.000 0.462 1144 L N 2.777 123.992 121.223 -0.013 0.000 2.440 1144 L HA 0.474 4.866 4.340 0.032 -0.033 0.184 1144 L C 0.072 176.985 176.870 0.072 0.000 1.111 1144 L CA -1.029 53.830 54.840 0.032 0.000 0.910 1144 L CB 0.280 42.370 42.059 0.051 0.000 1.455 1144 L HN 0.340 8.571 8.230 0.002 0.000 0.523 1145 E N -1.364 118.900 120.200 0.107 0.000 2.597 1145 E HA 0.206 4.648 4.350 0.153 0.000 0.310 1145 E C -1.255 175.407 176.600 0.104 0.000 0.970 1145 E CA -0.219 56.273 56.400 0.154 0.000 0.819 1145 E CB 2.013 31.880 29.700 0.278 0.000 1.267 1145 E HN -0.208 8.202 8.360 0.083 0.000 0.411 1146 G N 6.263 115.116 108.800 0.087 0.000 1.695 1146 G HA2 -0.166 3.820 3.960 0.044 0.000 0.089 1146 G HA3 -0.166 3.825 3.960 0.052 0.000 0.089 1146 G C -1.430 173.495 174.900 0.042 0.000 1.061 1146 G CA 0.262 45.395 45.100 0.055 0.000 1.207 1146 G HN 0.363 8.712 8.290 0.099 0.000 0.389 1147 N N 1.538 120.253 118.700 0.025 0.000 2.752 1147 N HA 0.204 4.962 4.740 0.030 0.000 0.260 1147 N C 0.084 175.596 175.510 0.004 0.000 1.562 1147 N CA -1.074 51.986 53.050 0.017 0.000 0.788 1147 N CB 1.619 40.108 38.487 0.004 0.000 1.192 1147 N HN 0.215 8.606 8.380 0.017 0.000 0.503 1148 K N -0.953 119.469 120.400 0.037 0.000 2.442 1148 K HA -0.351 3.999 4.320 0.049 0.000 0.199 1148 K C 0.625 177.263 176.600 0.063 0.000 1.044 1148 K CA 1.680 58.009 56.287 0.071 0.000 0.941 1148 K CB -0.261 32.312 32.500 0.121 0.000 0.759 1148 K HN 0.131 8.411 8.250 0.051 0.000 0.472 1149 R N 0.115 120.641 120.500 0.043 0.000 2.248 1149 R HA 0.210 4.927 4.340 0.097 -0.319 0.337 1149 R C 0.298 176.611 176.300 0.022 0.000 1.106 1149 R CA -1.235 54.898 56.100 0.055 0.000 0.959 1149 R CB -0.492 29.841 30.300 0.056 0.000 1.075 1149 R HN -0.648 7.569 8.270 0.037 0.075 0.480 1150 I N 3.237 123.817 120.570 0.017 0.000 2.577 1150 I HA 0.399 4.585 4.170 0.027 0.000 0.305 1150 I C -1.622 174.666 176.117 0.284 0.000 0.986 1150 I CA -1.320 60.019 61.300 0.066 0.000 1.189 1150 I CB 2.883 40.819 38.000 -0.106 0.000 1.355 1150 I HN 0.090 8.315 8.210 0.026 0.000 0.476 1151 T N 4.428 119.080 114.554 0.164 0.000 2.921 1151 T HA 0.565 4.980 4.350 -0.223 -0.199 0.297 1151 T C 0.263 174.708 174.700 -0.425 0.000 1.013 1151 T CA -0.980 61.035 62.100 -0.141 0.000 0.990 1151 T CB 2.282 71.074 68.868 -0.127 0.000 1.023 1151 T HN -0.406 7.904 8.240 0.118 0.000 0.447 1152 c N 4.008 121.871 118.600 -1.229 0.000 2.527 1152 c HA 0.126 4.253 4.570 -0.738 0.000 0.396 1152 c C -1.494 172.263 174.090 -0.556 0.000 1.289 1152 c CA -2.148 53.485 56.329 -1.159 0.000 2.047 1152 c CB 0.760 42.030 42.510 -2.067 0.000 2.568 1152 c HN 0.417 7.634 8.230 -1.690 0.000 0.573 1153 R N 3.435 123.738 120.500 -0.328 0.000 2.439 1153 R HA 0.248 4.467 4.340 -0.201 0.000 0.310 1153 R C -0.834 175.384 176.300 -0.136 0.000 0.955 1153 R CA -1.998 53.987 56.100 -0.193 0.000 0.853 1153 R CB 0.985 31.211 30.300 -0.123 0.000 1.171 1153 R HN 0.232 8.205 8.270 -0.284 0.126 0.449 1154 N N 1.483 120.117 118.700 -0.110 0.000 2.688 1154 N HA -0.368 4.343 4.740 -0.049 0.000 0.258 1154 N C 0.326 175.806 175.510 -0.050 0.000 1.016 1154 N CA 0.384 53.398 53.050 -0.060 0.000 0.747 1154 N CB -2.211 36.255 38.487 -0.035 0.000 0.895 1154 N HN 0.849 9.158 8.380 -0.119 0.000 0.543 1155 G N -3.183 105.573 108.800 -0.073 0.000 2.258 1155 G HA2 -0.546 3.418 3.960 0.007 0.000 0.274 1155 G HA3 -0.546 3.466 3.960 -0.041 -0.077 0.274 1155 G C -1.460 173.432 174.900 -0.012 0.000 1.021 1155 G CA 0.513 45.594 45.100 -0.032 0.000 0.798 1155 G HN 0.168 8.394 8.290 -0.108 0.000 0.507 1156 Q N -1.635 118.126 119.800 -0.065 0.000 2.650 1156 Q HA 0.175 4.563 4.340 0.079 0.000 0.239 1156 Q C -0.562 175.431 176.000 -0.011 0.000 0.893 1156 Q CA -2.214 53.593 55.803 0.006 0.000 0.755 1156 Q CB 1.511 30.253 28.738 0.008 0.000 1.349 1156 Q HN -0.430 7.612 8.270 -0.139 0.145 0.461 1157 W N 4.669 125.946 121.300 -0.038 0.000 1.629 1157 W HA -0.216 4.394 4.660 -0.083 0.000 0.336 1157 W C -0.133 176.341 176.519 -0.075 0.000 1.478 1157 W CA 1.067 58.369 57.345 -0.072 0.000 1.673 1157 W CB 0.249 29.657 29.460 -0.087 0.000 1.454 1157 W HN 0.188 8.565 8.180 0.327 0.000 0.761 1158 S N -0.781 115.087 115.700 0.280 0.000 2.788 1158 S HA 0.019 4.530 4.470 0.067 0.000 0.291 1158 S C -1.333 173.284 174.600 0.027 0.000 1.061 1158 S CA -0.875 57.384 58.200 0.099 0.000 0.923 1158 S CB 2.298 65.531 63.200 0.055 0.000 1.339 1158 S HN -0.081 8.521 8.310 0.487 0.000 0.591 1159 E N 0.725 120.904 120.200 -0.035 0.000 2.218 1159 E HA 0.307 4.587 4.350 -0.117 0.000 0.263 1159 E C -2.146 174.370 176.600 -0.140 0.000 0.879 1159 E CA -3.955 52.392 56.400 -0.088 0.000 0.762 1159 E CB 1.493 31.164 29.700 -0.048 0.000 1.166 1159 E HN 0.100 8.446 8.360 -0.023 0.000 0.415 1160 P HA 0.017 4.252 4.420 -0.308 0.000 0.272 1160 P C -1.593 175.644 177.300 -0.105 0.000 1.243 1160 P CA -0.740 62.200 63.100 -0.267 0.000 0.803 1160 P CB -0.410 31.080 31.700 -0.351 0.000 0.974 1161 P HA -0.158 4.258 4.420 -0.007 0.000 0.273 1161 P C -1.413 175.890 177.300 0.006 0.000 1.372 1161 P CA 0.799 63.896 63.100 -0.006 0.000 0.736 1161 P CB 1.259 32.974 31.700 0.024 0.000 1.539 1162 K N -3.185 117.234 120.400 0.031 0.000 2.553 1162 K HA 0.255 4.583 4.320 0.014 0.000 0.250 1162 K C -1.379 175.245 176.600 0.040 0.000 0.953 1162 K CA -1.640 54.666 56.287 0.031 0.000 0.800 1162 K CB 1.901 34.425 32.500 0.040 0.000 1.243 1162 K HN -0.384 7.894 8.250 0.046 0.000 0.435 1163 c N 2.529 121.138 118.600 0.015 0.000 2.644 1163 c HA -0.102 4.562 4.570 0.027 -0.078 0.417 1163 c C -0.271 173.809 174.090 -0.017 0.000 1.304 1163 c CA 0.984 57.321 56.329 0.012 0.000 2.035 1163 c CB -0.773 41.739 42.510 0.003 0.000 2.673 1163 c HN 0.485 8.716 8.230 0.001 0.000 0.602 1164 L N 3.307 124.515 121.223 -0.026 0.000 2.325 1164 L HA 0.331 4.643 4.340 -0.048 0.000 0.281 1164 L C -0.929 175.844 176.870 -0.160 0.000 1.004 1164 L CA -1.688 53.114 54.840 -0.063 0.000 0.823 1164 L CB 2.149 44.185 42.059 -0.038 0.000 1.236 1164 L HN -0.042 8.050 8.230 -0.021 0.126 0.415 1165 H N 5.372 124.403 119.070 -0.064 0.000 3.173 1165 H HA -0.107 4.086 4.556 -0.605 0.000 0.311 1165 H C -1.725 173.342 175.328 -0.435 0.000 0.972 1165 H CA 0.523 56.378 56.048 -0.321 0.000 1.384 1165 H CB -0.489 29.173 29.762 -0.166 0.000 1.349 1165 H HN 0.470 8.562 8.280 -0.312 0.000 0.582 1166 P HA -0.138 4.058 4.420 -0.374 0.000 0.278 1166 P C 0.459 177.579 177.300 -0.300 0.000 1.270 1166 P CA -0.146 62.690 63.100 -0.440 0.000 0.800 1166 P CB 0.783 32.176 31.700 -0.512 0.000 1.142 1167 c N -0.002 118.452 118.600 -0.244 0.000 3.424 1167 c HA -0.042 4.479 4.570 -0.082 0.000 0.577 1167 c C -0.626 173.319 174.090 -0.241 0.000 1.086 1167 c CA 0.079 56.321 56.329 -0.145 0.000 1.153 1167 c CB -3.377 39.096 42.510 -0.062 0.000 1.411 1167 c HN 0.082 8.167 8.230 -0.242 0.000 0.636 1168 V N 3.259 122.963 119.914 -0.351 0.000 2.247 1168 V HA 0.110 3.586 4.120 -1.074 0.000 0.262 1168 V C -1.153 174.819 176.094 -0.202 0.000 1.096 1168 V CA -0.315 61.633 62.300 -0.587 0.000 0.895 1168 V CB -0.743 30.694 31.823 -0.644 0.000 1.141 1168 V HN -0.171 7.784 8.190 -0.277 0.069 0.478 1169 I N 5.922 126.498 120.570 0.010 0.000 3.468 1169 I HA 0.017 4.210 4.170 0.038 0.000 0.299 1169 I C -0.779 175.363 176.117 0.042 0.000 1.141 1169 I CA -1.439 59.907 61.300 0.076 0.000 0.950 1169 I CB 2.427 40.550 38.000 0.205 0.000 1.522 1169 I HN -0.674 7.588 8.210 0.086 0.000 0.699 1170 S N 0.152 115.757 115.700 -0.157 0.000 2.505 1170 S HA 0.080 4.500 4.470 -0.084 0.000 0.276 1170 S C 0.471 174.977 174.600 -0.157 0.000 1.274 1170 S CA 0.789 58.867 58.200 -0.203 0.000 1.053 1170 S CB 0.538 63.489 63.200 -0.416 0.000 0.919 1170 S HN 0.254 8.376 8.310 -0.313 0.000 0.490 1171 R N 4.578 125.033 120.500 -0.075 0.000 2.312 1171 R HA 0.002 4.290 4.340 -0.087 0.000 0.205 1171 R C -0.152 176.065 176.300 -0.138 0.000 0.904 1171 R CA 0.963 57.008 56.100 -0.092 0.000 1.052 1171 R CB 0.364 30.613 30.300 -0.086 0.000 1.014 1171 R HN 0.278 8.527 8.270 -0.036 0.000 0.503 1172 E N -2.100 118.011 120.200 -0.149 0.000 2.476 1172 E HA -0.049 4.219 4.350 -0.136 0.000 0.196 1172 E C -0.829 175.643 176.600 -0.214 0.000 1.029 1172 E CA 0.389 56.701 56.400 -0.147 0.000 0.896 1172 E CB -0.248 29.396 29.700 -0.093 0.000 1.012 1172 E HN -0.240 7.982 8.360 -0.142 0.053 0.475 1173 I N -3.110 117.264 120.570 -0.326 0.000 4.046 1173 I HA -0.013 3.899 4.170 -0.429 0.000 0.285 1173 I C 0.766 176.333 176.117 -0.916 0.000 1.183 1173 I CA 0.986 61.994 61.300 -0.486 0.000 1.337 1173 I CB 1.037 38.846 38.000 -0.319 0.000 1.478 1173 I HN -0.713 7.236 8.210 -0.317 0.071 0.452 1174 M N 0.224 119.479 119.600 -0.575 0.000 2.074 1174 M HA -0.401 3.847 4.480 -0.386 0.000 0.259 1174 M C 0.794 176.884 176.300 -0.352 0.000 1.079 1174 M CA 4.798 59.866 55.300 -0.387 0.000 1.119 1174 M CB 0.330 32.888 32.600 -0.071 0.000 1.297 1174 M HN -0.764 7.253 8.290 -0.456 0.000 0.416 1175 E N -2.703 117.371 120.200 -0.210 0.000 2.533 1175 E HA -0.294 4.171 4.350 -0.089 -0.169 0.201 1175 E C 0.166 176.645 176.600 -0.202 0.000 1.097 1175 E CA 1.669 57.982 56.400 -0.145 0.000 0.887 1175 E CB -0.587 29.057 29.700 -0.093 0.000 0.855 1175 E HN 0.373 8.628 8.360 -0.174 0.000 0.540 1176 N N -0.583 117.902 118.700 -0.359 0.000 2.272 1176 N HA -0.176 4.451 4.740 -0.188 0.000 0.195 1176 N C 1.168 176.530 175.510 -0.247 0.000 1.048 1176 N CA 2.114 54.979 53.050 -0.308 0.000 0.912 1176 N CB -0.048 38.228 38.487 -0.352 0.000 1.096 1176 N HN -0.350 7.548 8.380 -0.515 0.173 0.471 1177 Y N -1.943 118.306 120.300 -0.084 0.000 2.089 1177 Y HA -0.304 4.180 4.550 -0.110 0.000 0.282 1177 Y C 0.126 175.860 175.900 -0.277 0.000 1.139 1177 Y CA 1.684 59.704 58.100 -0.134 0.000 1.123 1177 Y CB -0.184 38.214 38.460 -0.104 0.000 0.980 1177 Y HN -0.578 7.050 8.280 -1.087 0.000 0.493 1178 N N -5.306 113.449 118.700 0.092 0.000 3.403 1178 N HA 0.026 4.611 4.740 -0.259 0.000 0.154 1178 N C -2.073 173.436 175.510 -0.002 0.000 1.072 1178 N CA 0.278 53.174 53.050 -0.257 0.000 2.513 1178 N CB -0.288 37.473 38.487 -1.210 0.000 1.437 1178 N HN -0.695 7.925 8.380 0.400 0.000 0.744 1179 I N -7.463 113.169 120.570 0.103 0.000 2.894 1179 I HA 0.693 5.059 4.170 0.170 -0.094 0.302 1179 I C -2.824 173.384 176.117 0.151 0.000 1.188 1179 I CA -1.609 59.799 61.300 0.181 0.000 1.014 1179 I CB 3.872 42.062 38.000 0.316 0.000 1.242 1179 I HN -0.352 7.864 8.210 0.011 0.000 0.430 1180 A N 1.348 124.288 122.820 0.200 0.000 4.208 1180 A HA 0.308 4.734 4.320 0.178 0.000 0.243 1180 A C -1.925 175.770 177.584 0.184 0.000 0.946 1180 A CA -0.896 51.246 52.037 0.175 0.000 0.652 1180 A CB 2.254 21.315 19.000 0.103 0.000 1.617 1180 A HN 0.136 8.416 8.150 0.216 0.000 0.824 1181 L N -1.922 119.357 121.223 0.092 0.000 2.416 1181 L HA 0.412 4.782 4.340 -0.133 -0.110 0.263 1181 L C 2.210 179.114 176.870 0.057 0.000 1.065 1181 L CA -0.873 53.987 54.840 0.033 0.000 0.798 1181 L CB 2.299 44.440 42.059 0.136 0.000 1.267 1181 L HN 0.020 8.310 8.230 0.099 0.000 0.467 1182 R N -0.526 119.940 120.500 -0.057 0.000 2.357 1182 R HA -0.193 4.061 4.340 -0.143 0.000 0.202 1182 R C 0.089 176.153 176.300 -0.394 0.000 1.047 1182 R CA 2.696 58.633 56.100 -0.272 0.000 1.034 1182 R CB -0.589 29.441 30.300 -0.450 0.000 0.875 1182 R HN 0.351 8.596 8.270 -0.041 0.000 0.473 1183 W N -4.738 116.544 121.300 -0.031 0.000 3.058 1183 W HA 0.113 4.765 4.660 -0.014 0.000 0.306 1183 W C -1.137 175.374 176.519 -0.014 0.000 1.188 1183 W CA -1.212 56.120 57.345 -0.023 0.000 1.651 1183 W CB 0.138 29.577 29.460 -0.034 0.000 1.051 1183 W HN -0.614 7.630 8.180 0.272 0.100 0.592 1184 T N -2.746 111.919 114.554 0.185 0.000 2.964 1184 T HA -0.357 4.056 4.350 0.105 0.000 0.458 1184 T C -0.355 174.408 174.700 0.106 0.000 0.776 1184 T CA 1.071 63.241 62.100 0.118 0.000 2.376 1184 T CB -1.405 67.513 68.868 0.085 0.000 1.655 1184 T HN -0.468 7.735 8.240 0.177 0.143 0.574 1185 A N 4.013 126.884 122.820 0.085 0.000 2.573 1185 A HA 0.046 4.390 4.320 0.041 0.000 0.269 1185 A C -1.440 176.145 177.584 0.001 0.000 0.901 1185 A CA -0.979 51.083 52.037 0.041 0.000 1.066 1185 A CB 0.989 20.009 19.000 0.033 0.000 1.221 1185 A HN 0.066 8.269 8.150 0.088 0.000 0.483 1186 K N -1.189 119.214 120.400 0.004 0.000 6.692 1186 K HA -0.357 3.953 4.320 -0.017 0.000 0.775 1186 K C -0.415 176.152 176.600 -0.055 0.000 2.128 1186 K CA 0.280 56.552 56.287 -0.025 0.000 1.684 1186 K CB -0.808 31.670 32.500 -0.036 0.000 1.997 1186 K HN -0.370 7.895 8.250 0.026 0.000 0.306 1187 Q N -0.014 119.756 119.800 -0.049 0.000 1.762 1187 Q HA -0.558 3.755 4.340 -0.046 0.000 0.304 1187 Q C -0.434 175.531 176.000 -0.058 0.000 1.807 1187 Q CA 2.157 57.914 55.803 -0.077 0.000 0.912 1187 Q CB -0.503 28.130 28.738 -0.175 0.000 2.070 1187 Q HN 0.524 8.777 8.270 -0.028 0.000 0.616 1188 K N -1.181 119.149 120.400 -0.116 0.000 3.048 1188 K HA -0.377 3.860 4.320 -0.138 0.000 0.274 1188 K C -0.528 176.041 176.600 -0.051 0.000 1.098 1188 K CA 0.943 57.170 56.287 -0.100 0.000 0.807 1188 K CB -0.933 31.529 32.500 -0.063 0.000 1.217 1188 K HN -0.084 8.065 8.250 -0.168 0.000 0.477 1189 L N -5.447 115.781 121.223 0.007 0.000 2.645 1189 L HA -0.016 4.320 4.340 -0.006 0.000 0.234 1189 L C -1.003 176.102 176.870 0.392 0.000 1.165 1189 L CA -0.048 54.888 54.840 0.159 0.000 0.944 1189 L CB -0.987 41.249 42.059 0.296 0.000 1.149 1189 L HN -0.138 7.994 8.230 -0.064 0.060 0.446 1190 Y N -3.013 117.257 120.300 -0.050 0.000 2.377 1190 Y HA 0.927 5.778 4.550 -0.035 -0.322 0.339 1190 Y C 0.083 175.937 175.900 -0.076 0.000 1.011 1190 Y CA -2.412 55.656 58.100 -0.054 0.000 1.093 1190 Y CB 1.918 40.344 38.460 -0.058 0.000 1.201 1190 Y HN -0.680 7.595 8.280 0.168 0.105 0.455 1191 S N -0.505 115.209 115.700 0.024 0.000 2.757 1191 S HA 0.216 4.670 4.470 -0.026 0.000 0.285 1191 S C -2.363 172.181 174.600 -0.093 0.000 1.196 1191 S CA -0.555 57.625 58.200 -0.033 0.000 0.856 1191 S CB 3.409 66.593 63.200 -0.026 0.000 1.212 1191 S HN -0.145 8.136 8.310 -0.048 0.000 0.516 1192 R N 2.154 122.594 120.500 -0.101 0.000 2.229 1192 R HA 0.322 4.719 4.340 -0.162 -0.155 0.332 1192 R C -0.333 175.837 176.300 -0.217 0.000 0.989 1192 R CA -1.315 54.698 56.100 -0.146 0.000 0.842 1192 R CB 1.519 31.753 30.300 -0.109 0.000 1.119 1192 R HN 0.153 8.640 8.270 -0.079 -0.265 0.456 1193 T N 9.584 123.951 114.554 -0.312 0.000 2.525 1193 T HA -0.522 3.579 4.350 -0.414 0.000 0.239 1193 T C 0.376 174.654 174.700 -0.703 0.000 1.047 1193 T CA 2.818 64.601 62.100 -0.528 0.000 1.215 1193 T CB -1.051 67.410 68.868 -0.680 0.000 1.025 1193 T HN 0.081 8.146 8.240 -0.292 0.000 0.487 1194 G N 7.034 115.470 108.800 -0.607 0.000 2.367 1194 G HA2 -0.277 3.423 3.960 -0.433 0.000 0.181 1194 G HA3 -0.277 3.409 3.960 -0.457 0.000 0.181 1194 G C -1.220 173.655 174.900 -0.041 0.000 1.000 1194 G CA -0.273 44.576 45.100 -0.418 0.000 0.693 1194 G HN 0.054 8.117 8.290 -0.377 0.000 0.480 1195 E N 1.124 121.296 120.200 -0.046 0.000 2.242 1195 E HA 0.264 4.641 4.350 0.045 0.000 0.275 1195 E C -0.829 175.817 176.600 0.077 0.000 1.002 1195 E CA -1.350 55.065 56.400 0.024 0.000 0.841 1195 E CB 2.394 32.093 29.700 -0.002 0.000 1.109 1195 E HN -0.295 7.940 8.360 -0.114 0.057 0.394 1196 S N 1.819 117.577 115.700 0.097 0.000 2.549 1196 S HA 0.180 4.868 4.470 0.133 -0.139 0.279 1196 S C 0.041 174.700 174.600 0.098 0.000 1.321 1196 S CA 0.301 58.568 58.200 0.112 0.000 1.054 1196 S CB 0.673 63.935 63.200 0.104 0.000 0.899 1196 S HN 0.276 8.641 8.310 0.092 0.000 0.497 1197 V N 3.610 123.579 119.914 0.092 0.000 2.385 1197 V HA 0.196 4.307 4.120 -0.016 0.000 0.277 1197 V C -1.244 174.814 176.094 -0.060 0.000 1.012 1197 V CA -0.925 61.364 62.300 -0.018 0.000 0.832 1197 V CB 0.742 32.534 31.823 -0.052 0.000 1.028 1197 V HN 0.287 8.558 8.190 0.135 0.000 0.436 1198 E N 8.040 128.203 120.200 -0.062 0.000 2.130 1198 E HA 0.084 4.711 4.350 0.162 -0.180 0.284 1198 E C -1.619 174.937 176.600 -0.073 0.000 1.018 1198 E CA -1.374 55.033 56.400 0.012 0.000 0.817 1198 E CB 0.570 30.268 29.700 -0.003 0.000 1.078 1198 E HN 0.241 8.586 8.360 -0.025 0.000 0.396 1199 F N 5.270 125.282 119.950 0.102 0.000 2.379 1199 F HA 0.406 5.165 4.527 0.117 -0.162 0.332 1199 F C 0.635 176.488 175.800 0.088 0.000 1.096 1199 F CA -0.803 57.264 58.000 0.112 0.000 1.105 1199 F CB 1.378 40.465 39.000 0.144 0.000 1.189 1199 F HN 0.487 9.018 8.300 0.598 0.128 0.515 1200 V N -2.662 117.401 119.914 0.249 0.000 2.975 1200 V HA 0.258 4.467 4.120 0.147 0.000 0.318 1200 V C -0.364 175.846 176.094 0.193 0.000 1.077 1200 V CA -2.442 59.960 62.300 0.170 0.000 1.000 1200 V CB 2.935 34.822 31.823 0.107 0.000 1.066 1200 V HN 0.448 8.648 8.190 0.249 0.139 0.452 1201 c N 2.440 121.139 118.600 0.165 0.000 2.435 1201 c HA 0.104 4.783 4.570 0.183 0.000 0.326 1201 c C -0.966 173.262 174.090 0.231 0.000 1.328 1201 c CA -0.994 55.444 56.329 0.181 0.000 1.741 1201 c CB -2.652 39.953 42.510 0.160 0.000 1.998 1201 c HN 0.601 8.915 8.230 0.138 0.000 0.585 1202 K N -0.713 119.808 120.400 0.202 0.000 6.357 1202 K HA -0.483 3.941 4.320 0.174 0.000 0.664 1202 K C -1.172 175.593 176.600 0.276 0.000 1.803 1202 K CA 0.095 56.526 56.287 0.240 0.000 1.595 1202 K CB -0.013 32.642 32.500 0.258 0.000 1.816 1202 K HN -0.002 8.246 8.250 0.169 0.103 0.323 1203 R N 5.034 125.628 120.500 0.156 0.000 4.082 1203 R HA -0.368 4.016 4.340 0.074 0.000 0.210 1203 R C 0.088 176.422 176.300 0.056 0.000 0.488 1203 R CA 2.148 58.303 56.100 0.092 0.000 0.946 1203 R CB -0.711 29.626 30.300 0.060 0.000 0.976 1203 R HN 0.508 8.856 8.270 0.129 0.000 0.301 1204 G N 2.573 111.383 108.800 0.016 0.000 3.435 1204 G HA2 -0.258 3.544 3.960 -0.263 0.000 0.197 1204 G HA3 -0.258 3.636 3.960 -0.109 0.000 0.197 1204 G C -0.621 174.188 174.900 -0.151 0.000 1.497 1204 G CA -0.233 44.787 45.100 -0.134 0.000 1.043 1204 G HN 0.013 8.332 8.290 0.049 0.000 0.466 1205 Y N 4.849 125.169 120.300 0.033 0.000 2.411 1205 Y HA -0.209 4.348 4.550 0.021 0.005 0.333 1205 Y C -0.966 174.948 175.900 0.024 0.000 1.186 1205 Y CA 1.094 59.212 58.100 0.030 0.000 1.381 1205 Y CB 0.298 38.785 38.460 0.046 0.000 1.273 1205 Y HN -0.232 8.160 8.280 0.187 0.000 0.546 1206 R N 0.123 120.710 120.500 0.146 0.000 2.514 1206 R HA 0.292 4.682 4.340 0.084 0.000 0.301 1206 R C -0.530 175.806 176.300 0.061 0.000 0.962 1206 R CA -2.204 53.945 56.100 0.082 0.000 0.882 1206 R CB 1.651 31.975 30.300 0.040 0.000 1.143 1206 R HN -0.045 8.242 8.270 0.141 0.067 0.452 1207 L N 4.766 126.014 121.223 0.043 0.000 2.742 1207 L HA -0.269 4.072 4.340 0.002 0.000 0.297 1207 L C 0.318 177.179 176.870 -0.015 0.000 1.238 1207 L CA 1.632 56.477 54.840 0.008 0.000 0.895 1207 L CB 0.179 42.241 42.059 0.005 0.000 1.166 1207 L HN 0.548 8.809 8.230 0.051 0.000 0.494 1208 S N 3.721 119.391 115.700 -0.050 0.000 2.701 1208 S HA -0.133 4.315 4.470 -0.037 0.000 0.220 1208 S C 0.059 174.618 174.600 -0.068 0.000 0.954 1208 S CA 1.495 59.658 58.200 -0.061 0.000 0.936 1208 S CB 0.188 63.329 63.200 -0.097 0.000 0.777 1208 S HN 0.344 8.680 8.310 -0.072 -0.069 0.518 1209 S N 0.586 116.248 115.700 -0.063 0.000 1.539 1209 S HA -0.454 3.985 4.470 -0.053 0.000 0.239 1209 S C 0.130 174.668 174.600 -0.102 0.000 0.755 1209 S CA 2.496 60.656 58.200 -0.066 0.000 1.322 1209 S CB -1.275 61.894 63.200 -0.051 0.000 1.628 1209 S HN 0.231 8.394 8.310 -0.052 0.115 0.515 1210 R N 0.880 121.307 120.500 -0.122 0.000 2.293 1210 R HA -0.170 4.078 4.340 -0.155 0.000 0.219 1210 R C -0.174 175.961 176.300 -0.276 0.000 1.091 1210 R CA 1.247 57.245 56.100 -0.169 0.000 1.004 1210 R CB -0.010 30.202 30.300 -0.147 0.000 0.865 1210 R HN -0.207 7.909 8.270 -0.104 0.092 0.469 1211 S N -1.537 114.021 115.700 -0.237 0.000 2.598 1211 S HA -0.078 4.179 4.470 -0.356 0.000 0.256 1211 S C 0.064 174.460 174.600 -0.341 0.000 1.350 1211 S CA 0.244 58.277 58.200 -0.279 0.000 0.984 1211 S CB 0.436 63.556 63.200 -0.133 0.000 0.930 1211 S HN -0.291 7.844 8.310 -0.168 0.074 0.577 1212 H N 1.477 120.488 119.070 -0.099 0.000 2.560 1212 H HA 0.103 4.611 4.556 -0.080 0.000 0.324 1212 H C 0.216 175.516 175.328 -0.046 0.000 1.329 1212 H CA 1.308 57.302 56.048 -0.090 0.000 2.007 1212 H CB 0.928 30.604 29.762 -0.144 0.000 1.551 1212 H HN 0.281 8.507 8.280 -0.090 0.000 0.623 1213 T N -3.102 111.530 114.554 0.131 0.000 2.900 1213 T HA 0.165 4.563 4.350 0.080 0.000 0.303 1213 T C -0.748 174.027 174.700 0.124 0.000 1.142 1213 T CA -1.531 60.628 62.100 0.098 0.000 1.007 1213 T CB 2.949 71.873 68.868 0.094 0.000 1.156 1213 T HN -0.491 7.840 8.240 0.152 0.000 0.490 1214 L N 0.312 121.625 121.223 0.150 0.000 2.062 1214 L HA -0.018 4.492 4.340 0.283 0.000 0.202 1214 L C 0.910 177.968 176.870 0.313 0.000 1.079 1214 L CA 1.510 56.490 54.840 0.234 0.000 0.755 1214 L CB -0.141 42.020 42.059 0.170 0.000 0.913 1214 L HN 0.346 8.647 8.230 0.117 0.000 0.445 1215 R N -1.662 118.955 120.500 0.196 0.000 2.254 1215 R HA -0.055 4.406 4.340 0.201 0.000 0.318 1215 R C -0.876 175.526 176.300 0.170 0.000 1.031 1215 R CA 0.016 56.218 56.100 0.171 0.000 0.905 1215 R CB 0.424 30.781 30.300 0.095 0.000 1.050 1215 R HN -0.236 8.120 8.270 0.144 0.000 0.456 1216 T N 4.998 119.673 114.554 0.200 0.000 2.627 1216 T HA 0.203 4.634 4.350 0.136 0.000 0.294 1216 T C -2.350 172.462 174.700 0.187 0.000 1.230 1216 T CA -1.538 60.669 62.100 0.178 0.000 1.084 1216 T CB 1.941 70.921 68.868 0.187 0.000 1.693 1216 T HN 0.009 8.382 8.240 0.221 0.000 0.465 1217 T N 3.255 117.927 114.554 0.197 0.000 2.848 1217 T HA 0.451 4.929 4.350 0.214 0.000 0.285 1217 T C -0.272 174.596 174.700 0.281 0.000 0.995 1217 T CA -0.310 61.932 62.100 0.238 0.000 0.970 1217 T CB 2.399 71.429 68.868 0.271 0.000 0.976 1217 T HN 0.106 8.452 8.240 0.178 0.000 0.441 1218 c N 3.990 122.739 118.600 0.249 0.000 2.539 1218 c HA 0.712 5.656 4.570 0.234 -0.234 0.392 1218 c C -1.135 173.120 174.090 0.275 0.000 1.269 1218 c CA -2.800 53.657 56.329 0.213 0.000 2.250 1218 c CB 1.077 43.651 42.510 0.105 0.000 2.584 1218 c HN 0.138 8.487 8.230 0.199 0.000 0.589 1219 W N 3.295 124.613 121.300 0.031 0.000 3.700 1219 W HA 0.157 4.824 4.660 0.012 0.000 0.279 1219 W C -1.396 175.141 176.519 0.030 0.000 1.270 1219 W CA 0.414 57.772 57.345 0.022 0.000 1.216 1219 W CB 3.887 33.362 29.460 0.026 0.000 1.292 1219 W HN -0.133 8.191 8.180 0.241 0.000 0.557 1220 D N -1.653 118.901 120.400 0.256 0.000 2.997 1220 D HA -0.379 4.546 4.640 0.257 -0.131 0.226 1220 D C -0.032 176.379 176.300 0.185 0.000 1.189 1220 D CA 1.023 55.186 54.000 0.272 0.000 0.834 1220 D CB -1.439 39.552 40.800 0.319 0.000 1.105 1220 D HN 0.326 8.743 8.370 0.079 0.000 0.415 1221 G N -3.764 105.086 108.800 0.083 0.000 2.303 1221 G HA2 -0.473 3.459 3.960 -0.047 0.000 0.260 1221 G HA3 -0.473 3.617 3.960 -0.043 -0.156 0.260 1221 G C -1.461 173.464 174.900 0.043 0.000 1.106 1221 G CA 0.092 45.194 45.100 0.004 0.000 0.900 1221 G HN -0.234 8.023 8.290 0.061 0.070 0.495 1222 K N -1.447 119.011 120.400 0.096 0.000 2.525 1222 K HA 0.338 4.715 4.320 0.093 0.000 0.254 1222 K C -2.113 174.567 176.600 0.134 0.000 0.934 1222 K CA -0.663 55.682 56.287 0.098 0.000 0.802 1222 K CB 2.431 34.971 32.500 0.067 0.000 1.295 1222 K HN -0.514 7.809 8.250 0.122 0.000 0.433 1223 L N 2.051 123.348 121.223 0.123 0.000 3.515 1223 L HA 0.290 4.742 4.340 0.187 0.000 0.322 1223 L C -0.764 176.112 176.870 0.010 0.000 1.225 1223 L CA 0.164 55.103 54.840 0.164 0.000 1.104 1223 L CB 1.169 43.451 42.059 0.372 0.000 1.506 1223 L HN 0.384 8.676 8.230 0.102 0.000 0.624 1224 E N -1.530 118.581 120.200 -0.149 0.000 2.393 1224 E HA -0.358 3.532 4.350 -0.766 0.000 0.169 1224 E C -1.489 174.904 176.600 -0.344 0.000 1.591 1224 E CA 0.505 56.647 56.400 -0.429 0.000 0.661 1224 E CB -1.482 28.037 29.700 -0.301 0.000 1.097 1224 E HN -0.074 8.220 8.360 -0.110 0.000 0.356 1225 Y N -2.107 118.003 120.300 -0.315 0.000 2.442 1225 Y HA 0.393 4.515 4.550 -0.713 0.000 0.330 1225 Y C -0.669 175.231 175.900 -0.000 0.000 1.129 1225 Y CA -3.086 54.787 58.100 -0.378 0.000 1.365 1225 Y CB -0.578 37.647 38.460 -0.391 0.000 1.233 1225 Y HN -0.090 7.842 8.280 -0.579 0.000 0.529 1226 P HA 0.004 4.544 4.420 0.032 -0.100 0.339 1226 P C -0.445 176.900 177.300 0.076 0.000 1.413 1226 P CA 0.473 63.618 63.100 0.076 0.000 0.833 1226 P CB 1.076 32.815 31.700 0.065 0.000 2.004 1227 T N -2.957 111.542 114.554 -0.091 0.000 3.719 1227 T HA 0.116 3.863 4.350 -1.004 0.000 0.285 1227 T C -0.831 173.653 174.700 -0.360 0.000 0.963 1227 T CA 0.349 62.137 62.100 -0.519 0.000 1.154 1227 T CB 2.258 70.802 68.868 -0.540 0.000 1.123 1227 T HN -0.552 7.656 8.240 -0.053 0.000 0.448 1228 c N -0.181 118.321 118.600 -0.163 0.000 0.168 1228 c HA -0.446 4.199 4.570 -0.007 -0.079 0.017 1228 c C -1.321 172.753 174.090 -0.027 0.000 0.171 1228 c CA 0.883 57.192 56.329 -0.034 0.000 0.499 1228 c CB -0.424 42.125 42.510 0.065 0.000 3.212 1228 c HN -0.170 7.969 8.230 -0.152 0.000 1.118 1229 A N 0.252 123.137 122.820 0.108 0.000 2.547 1229 A HA 0.127 4.657 4.320 0.349 0.000 0.298 1229 A C -2.410 175.313 177.584 0.232 0.000 1.062 1229 A CA 0.323 52.487 52.037 0.212 0.000 0.748 1229 A CB 2.423 21.465 19.000 0.071 0.000 1.288 1229 A HN 0.511 8.631 8.150 0.113 0.098 0.396 1230 K N 1.594 122.182 120.400 0.313 0.000 4.582 1230 K HA 0.007 4.333 4.320 0.011 0.000 0.537 1230 K C -1.205 175.173 176.600 -0.370 0.000 0.966 1230 K CA -0.067 56.213 56.287 -0.011 0.000 0.824 1230 K CB 1.386 33.870 32.500 -0.027 0.000 2.062 1230 K HN -0.041 8.678 8.250 0.782 0.000 0.866 1231 R N 0.000 120.161 120.500 -0.565 0.000 2.786 1231 R HA 0.000 4.088 4.340 -0.420 0.000 0.208 1231 R CA 0.000 55.687 56.100 -0.688 0.000 0.921 1231 R CB 0.000 29.380 30.300 -1.534 0.000 0.687 1231 R HN 0.000 7.996 8.270 -0.357 0.060 0.535