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 2l84_1_A DATA FIRST_RESID 1077 DATA SEQUENCE GSHMRKKIFK PEELRQALMP TLEALYRQDP ESLPFRQPVD PQLLGIPDYF DATA SEQUENCE DIVKNPMDLS TIKRKLDTGQ YQEPWQYVDD VWLMFNNAWL YNRKTSRVYK DATA SEQUENCE FCSKLAEVFE QEIDPVMQSL G 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 1077 G HA2 0.000 nan 3.960 nan 0.000 0.244 1077 G HA3 0.000 3.955 3.960 -0.008 0.000 0.244 1077 G C 0.000 174.904 174.900 0.007 0.000 0.946 1077 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 1078 S N -3.206 112.531 115.700 0.063 0.000 3.050 1078 S HA 0.123 4.679 4.470 0.066 -0.046 0.261 1078 S C -1.765 172.956 174.600 0.203 0.000 1.057 1078 S CA -0.022 58.236 58.200 0.097 0.000 1.012 1078 S CB 2.207 65.456 63.200 0.081 0.000 0.919 1078 S HN -0.344 8.016 8.310 0.084 0.000 0.429 1079 H N -1.567 117.550 119.070 0.079 0.000 3.143 1079 H HA 0.155 4.786 4.556 0.125 0.000 0.303 1079 H C -1.899 173.474 175.328 0.075 0.000 1.109 1079 H CA 0.928 57.030 56.048 0.090 0.000 1.494 1079 H CB 1.096 30.899 29.762 0.068 0.000 2.132 1079 H HN -0.554 7.833 8.280 0.178 0.000 0.433 1080 M N 6.344 125.877 119.600 -0.111 0.000 1.646 1080 M HA 0.094 4.623 4.480 0.080 0.000 0.169 1080 M C -0.848 175.395 176.300 -0.096 0.000 1.705 1080 M CA 0.528 55.819 55.300 -0.016 0.000 0.770 1080 M CB 1.334 33.959 32.600 0.041 0.000 1.616 1080 M HN 0.341 8.464 8.290 -0.279 0.000 0.633 1081 R N 0.339 120.794 120.500 -0.075 0.000 2.603 1081 R HA 0.195 4.492 4.340 -0.072 0.000 0.231 1081 R C -0.784 175.423 176.300 -0.155 0.000 1.263 1081 R CA -0.667 55.382 56.100 -0.085 0.000 1.102 1081 R CB 0.490 30.765 30.300 -0.042 0.000 1.527 1081 R HN -0.125 8.129 8.270 -0.026 0.000 0.554 1082 K N 1.302 121.615 120.400 -0.145 0.000 2.542 1082 K HA -0.199 4.025 4.320 -0.159 0.000 0.276 1082 K C 0.179 176.577 176.600 -0.336 0.000 0.963 1082 K CA 0.703 56.877 56.287 -0.188 0.000 0.975 1082 K CB 0.528 32.939 32.500 -0.149 0.000 0.901 1082 K HN 0.021 8.208 8.250 -0.105 0.000 0.506 1083 K N 1.632 121.831 120.400 -0.336 0.000 1.969 1083 K HA -0.266 3.755 4.320 -0.500 0.000 0.223 1083 K C 0.043 175.966 176.600 -1.129 0.000 1.048 1083 K CA 1.379 57.350 56.287 -0.527 0.000 0.983 1083 K CB 0.092 32.473 32.500 -0.198 0.000 0.738 1083 K HN 0.104 8.223 8.250 -0.218 0.000 0.446 1084 I N 0.088 120.312 120.570 -0.576 0.000 3.310 1084 I HA -0.318 3.700 4.170 -0.252 0.000 0.345 1084 I C 0.278 176.070 176.117 -0.542 0.000 1.215 1084 I CA 1.794 62.843 61.300 -0.418 0.000 1.472 1084 I CB -0.456 37.449 38.000 -0.158 0.000 1.305 1084 I HN -0.393 7.621 8.210 -0.327 0.000 0.500 1085 F N 5.958 125.938 119.950 0.050 0.000 2.979 1085 F HA 0.274 4.815 4.527 0.023 0.000 0.370 1085 F C -0.510 175.314 175.800 0.040 0.000 1.320 1085 F CA -2.115 55.906 58.000 0.035 0.000 1.095 1085 F CB 3.054 42.072 39.000 0.030 0.000 1.553 1085 F HN -0.414 7.967 8.300 0.135 0.000 0.493 1086 K N -0.449 120.125 120.400 0.290 0.000 2.138 1086 K HA 0.510 4.912 4.320 0.137 0.000 0.263 1086 K C -1.075 175.605 176.600 0.133 0.000 0.965 1086 K CA -3.629 52.752 56.287 0.156 0.000 0.868 1086 K CB 0.464 33.022 32.500 0.098 0.000 1.083 1086 K HN -0.323 8.297 8.250 0.340 -0.166 0.443 1087 P HA -0.259 4.255 4.420 0.158 0.000 0.221 1087 P C 1.207 178.532 177.300 0.042 0.000 1.141 1087 P CA 2.492 65.652 63.100 0.100 0.000 0.794 1087 P CB -0.017 31.719 31.700 0.060 0.000 0.764 1088 E N -3.013 117.199 120.200 0.020 0.000 2.051 1088 E HA -0.334 4.001 4.350 -0.024 0.000 0.189 1088 E C 2.206 178.775 176.600 -0.051 0.000 0.979 1088 E CA 3.417 59.808 56.400 -0.015 0.000 0.803 1088 E CB -0.595 29.101 29.700 -0.008 0.000 0.761 1088 E HN 0.575 8.887 8.360 0.038 0.071 0.451 1089 E N -0.046 120.121 120.200 -0.055 0.000 2.058 1089 E HA -0.344 3.925 4.350 -0.134 0.000 0.194 1089 E C 2.644 179.095 176.600 -0.248 0.000 0.997 1089 E CA 2.611 58.918 56.400 -0.156 0.000 0.801 1089 E CB -0.396 29.190 29.700 -0.190 0.000 0.746 1089 E HN -0.423 7.858 8.360 -0.002 0.078 0.450 1090 L N -1.523 119.580 121.223 -0.200 0.000 1.963 1090 L HA -0.455 3.705 4.340 -0.300 0.000 0.220 1090 L C 2.143 178.903 176.870 -0.183 0.000 1.076 1090 L CA 3.190 57.917 54.840 -0.187 0.000 0.772 1090 L CB -0.891 41.161 42.059 -0.012 0.000 0.892 1090 L HN -0.170 8.002 8.230 -0.099 -0.001 0.435 1091 R N -2.507 117.921 120.500 -0.119 0.000 2.133 1091 R HA -0.555 3.683 4.340 -0.169 0.000 0.245 1091 R C 2.600 178.806 176.300 -0.157 0.000 1.137 1091 R CA 3.432 59.450 56.100 -0.136 0.000 0.947 1091 R CB -0.426 29.821 30.300 -0.088 0.000 0.865 1091 R HN -0.095 8.027 8.270 -0.064 0.109 0.437 1092 Q N -1.481 118.234 119.800 -0.141 0.000 2.173 1092 Q HA -0.261 4.012 4.340 -0.112 0.000 0.208 1092 Q C 0.844 176.756 176.000 -0.147 0.000 0.989 1092 Q CA 2.800 58.523 55.803 -0.132 0.000 0.872 1092 Q CB 0.016 28.678 28.738 -0.126 0.000 0.909 1092 Q HN -0.344 7.851 8.270 -0.129 -0.003 0.420 1093 A N -1.737 120.971 122.820 -0.186 0.000 1.884 1093 A HA -0.060 4.176 4.320 -0.140 0.000 0.212 1093 A C 2.078 179.549 177.584 -0.188 0.000 1.265 1093 A CA 1.472 53.402 52.037 -0.178 0.000 0.626 1093 A CB 0.440 19.311 19.000 -0.216 0.000 0.943 1093 A HN -0.006 7.880 8.150 -0.213 0.136 0.466 1094 L N -0.784 120.281 121.223 -0.263 0.000 1.944 1094 L HA -0.443 3.681 4.340 -0.360 0.000 0.218 1094 L C 2.451 179.078 176.870 -0.405 0.000 1.075 1094 L CA 3.428 58.015 54.840 -0.421 0.000 0.767 1094 L CB -0.564 41.125 42.059 -0.617 0.000 0.890 1094 L HN 0.414 8.391 8.230 -0.263 0.095 0.434 1095 M N -0.845 118.548 119.600 -0.346 0.000 2.204 1095 M HA -0.405 3.895 4.480 -0.300 0.000 0.255 1095 M C -1.269 174.914 176.300 -0.194 0.000 1.073 1095 M CA 6.134 61.275 55.300 -0.265 0.000 1.084 1095 M CB -2.578 29.901 32.600 -0.202 0.000 1.289 1095 M HN -0.692 7.322 8.290 -0.318 0.085 0.419 1096 P HA -0.337 4.209 4.420 -0.090 -0.180 0.216 1096 P C 1.889 179.159 177.300 -0.049 0.000 1.154 1096 P CA 3.389 66.433 63.100 -0.093 0.000 0.865 1096 P CB -0.702 30.950 31.700 -0.080 0.000 0.789 1097 T N -4.008 110.521 114.554 -0.040 0.000 2.788 1097 T HA -0.354 4.048 4.350 0.087 0.000 0.268 1097 T C 1.864 176.615 174.700 0.084 0.000 1.044 1097 T CA 3.928 66.067 62.100 0.066 0.000 1.139 1097 T CB -0.405 68.561 68.868 0.163 0.000 0.867 1097 T HN 0.159 8.233 8.240 -0.093 0.109 0.454 1098 L N 2.185 123.414 121.223 0.009 0.000 1.994 1098 L HA -0.344 4.095 4.340 0.164 0.000 0.208 1098 L C 2.353 179.306 176.870 0.138 0.000 1.071 1098 L CA 3.044 57.937 54.840 0.088 0.000 0.745 1098 L CB -0.223 41.823 42.059 -0.023 0.000 0.892 1098 L HN -0.485 7.569 8.230 -0.097 0.118 0.431 1099 E N -1.578 118.590 120.200 -0.054 0.000 2.219 1099 E HA -0.477 3.806 4.350 -0.112 0.000 0.198 1099 E C 2.458 179.111 176.600 0.088 0.000 0.998 1099 E CA 3.054 59.427 56.400 -0.044 0.000 0.818 1099 E CB -0.543 29.095 29.700 -0.103 0.000 0.741 1099 E HN 0.502 8.680 8.360 -0.120 0.110 0.477 1100 A N -1.810 121.059 122.820 0.082 0.000 1.929 1100 A HA -0.158 4.203 4.320 0.069 0.000 0.216 1100 A C 1.173 178.831 177.584 0.123 0.000 1.176 1100 A CA 2.609 54.700 52.037 0.090 0.000 0.628 1100 A CB -0.660 18.391 19.000 0.085 0.000 0.816 1100 A HN -0.367 7.679 8.150 0.060 0.140 0.444 1101 L N -3.183 118.140 121.223 0.165 0.000 2.056 1101 L HA -0.341 4.082 4.340 0.139 0.000 0.207 1101 L C 2.684 179.643 176.870 0.147 0.000 1.078 1101 L CA 2.480 57.417 54.840 0.161 0.000 0.749 1101 L CB -0.125 42.019 42.059 0.140 0.000 0.901 1101 L HN -0.394 7.819 8.230 0.172 0.121 0.433 1102 Y N -2.053 118.258 120.300 0.018 0.000 2.352 1102 Y HA -0.274 4.281 4.550 0.008 0.000 0.292 1102 Y C 1.999 177.890 175.900 -0.015 0.000 1.136 1102 Y CA 3.938 62.039 58.100 0.002 0.000 1.227 1102 Y CB -0.314 38.142 38.460 -0.008 0.000 0.991 1102 Y HN 0.723 9.069 8.280 0.449 0.204 0.545 1103 R N -3.371 117.213 120.500 0.140 0.000 2.317 1103 R HA -0.015 4.357 4.340 0.054 0.000 0.208 1103 R C 0.262 176.573 176.300 0.018 0.000 0.914 1103 R CA 0.494 56.632 56.100 0.063 0.000 1.060 1103 R CB -1.051 29.282 30.300 0.054 0.000 1.015 1103 R HN -0.512 7.618 8.270 0.164 0.238 0.498 1104 Q N 0.052 119.859 119.800 0.012 0.000 2.344 1104 Q HA -0.004 4.327 4.340 -0.015 0.000 0.212 1104 Q C -0.756 175.183 176.000 -0.101 0.000 0.943 1104 Q CA -0.272 55.515 55.803 -0.026 0.000 0.955 1104 Q CB -1.124 27.613 28.738 -0.002 0.000 1.000 1104 Q HN -0.546 7.545 8.270 0.039 0.202 0.488 1105 D N -2.277 118.062 120.400 -0.101 0.000 6.122 1105 D HA -0.262 4.310 4.640 -0.113 0.000 0.318 1105 D C -1.321 174.826 176.300 -0.255 0.000 2.527 1105 D CA 2.260 56.167 54.000 -0.154 0.000 1.441 1105 D CB -0.551 40.151 40.800 -0.162 0.000 1.140 1105 D HN -0.530 7.669 8.370 -0.058 0.136 1.272 1106 P HA -0.274 3.989 4.420 -0.262 0.000 0.219 1106 P C -0.051 176.832 177.300 -0.695 0.000 1.145 1106 P CA 2.440 65.308 63.100 -0.385 0.000 0.813 1106 P CB 0.038 31.555 31.700 -0.305 0.000 0.771 1107 E N -4.250 115.392 120.200 -0.930 0.000 2.219 1107 E HA -0.375 2.683 4.350 -2.154 0.000 0.198 1107 E C 0.944 177.376 176.600 -0.280 0.000 0.998 1107 E CA 2.145 57.977 56.400 -0.946 0.000 0.818 1107 E CB -0.090 29.340 29.700 -0.451 0.000 0.741 1107 E HN -0.193 7.674 8.360 -0.717 0.063 0.477 1108 S N -3.138 112.414 115.700 -0.247 0.000 2.404 1108 S HA -0.134 4.426 4.470 0.149 0.000 0.223 1108 S C 1.785 176.177 174.600 -0.346 0.000 1.040 1108 S CA 2.261 60.378 58.200 -0.139 0.000 0.957 1108 S CB 1.132 64.242 63.200 -0.151 0.000 0.826 1108 S HN 0.100 8.063 8.310 -0.300 0.167 0.491 1109 L N 3.203 124.224 121.223 -0.335 0.000 2.040 1109 L HA -0.356 3.832 4.340 -0.253 0.000 0.228 1109 L C -1.446 175.200 176.870 -0.373 0.000 1.092 1109 L CA 4.572 59.235 54.840 -0.295 0.000 0.805 1109 L CB -2.183 39.755 42.059 -0.202 0.000 0.905 1109 L HN -0.661 7.291 8.230 -0.305 0.096 0.443 1110 P HA -0.153 4.064 4.420 -0.339 0.000 0.231 1110 P C -0.579 176.378 177.300 -0.572 0.000 1.158 1110 P CA 1.800 64.525 63.100 -0.624 0.000 0.763 1110 P CB -0.292 30.956 31.700 -0.754 0.000 0.805 1111 F N -6.707 113.182 119.950 -0.101 0.000 2.549 1111 F HA 0.400 4.844 4.527 -0.138 0.000 0.275 1111 F C 0.980 176.635 175.800 -0.243 0.000 0.990 1111 F CA -0.988 56.915 58.000 -0.162 0.000 1.274 1111 F CB 0.292 39.194 39.000 -0.162 0.000 1.064 1111 F HN -0.130 7.556 8.300 -0.654 0.222 0.715 1112 R N -2.784 117.557 120.500 -0.265 0.000 2.377 1112 R HA -0.235 3.764 4.340 -0.507 0.037 0.207 1112 R C 0.232 176.423 176.300 -0.182 0.000 1.075 1112 R CA 1.769 57.580 56.100 -0.481 0.000 1.035 1112 R CB -0.649 29.095 30.300 -0.927 0.000 0.857 1112 R HN -0.096 7.884 8.270 -0.298 0.112 0.475 1113 Q N -3.531 116.192 119.800 -0.129 0.000 2.379 1113 Q HA 0.294 4.607 4.340 -0.045 0.000 0.278 1113 Q C -2.883 173.078 176.000 -0.066 0.000 1.068 1113 Q CA -3.040 52.716 55.803 -0.079 0.000 0.816 1113 Q CB 3.396 32.078 28.738 -0.094 0.000 1.387 1113 Q HN -0.795 7.340 8.270 -0.143 0.049 0.413 1114 P HA -0.057 4.670 4.420 -0.033 -0.327 0.271 1114 P C -0.545 176.700 177.300 -0.092 0.000 1.233 1114 P CA -0.040 63.034 63.100 -0.044 0.000 0.764 1114 P CB 0.195 31.885 31.700 -0.015 0.000 0.825 1115 V N 3.373 123.196 119.914 -0.152 0.000 2.311 1115 V HA -0.468 3.513 4.120 -0.232 0.000 0.256 1115 V C -0.750 175.212 176.094 -0.219 0.000 1.077 1115 V CA 2.664 64.805 62.300 -0.265 0.000 1.067 1115 V CB 0.482 31.956 31.823 -0.582 0.000 0.659 1115 V HN -0.469 7.833 8.190 -0.132 -0.192 0.451 1116 D N -6.186 114.116 120.400 -0.164 0.000 3.133 1116 D HA -0.173 4.425 4.640 -0.070 0.000 0.239 1116 D C -1.648 174.547 176.300 -0.175 0.000 1.136 1116 D CA 0.633 54.562 54.000 -0.118 0.000 0.898 1116 D CB -0.900 39.853 40.800 -0.078 0.000 0.959 1116 D HN 0.198 8.477 8.370 -0.125 0.016 0.415 1117 P HA -0.251 4.001 4.420 -0.280 0.000 0.225 1117 P C 0.407 177.618 177.300 -0.147 0.000 1.141 1117 P CA 2.011 64.940 63.100 -0.284 0.000 0.774 1117 P CB 0.030 31.440 31.700 -0.484 0.000 0.760 1118 Q N -4.439 115.298 119.800 -0.105 0.000 2.349 1118 Q HA -0.068 4.242 4.340 -0.051 0.000 0.209 1118 Q C 1.760 177.731 176.000 -0.049 0.000 0.920 1118 Q CA 1.979 57.747 55.803 -0.059 0.000 0.901 1118 Q CB -0.165 28.551 28.738 -0.037 0.000 1.021 1118 Q HN 0.325 8.408 8.270 -0.109 0.122 0.519 1119 L N -0.273 120.914 121.223 -0.060 0.000 2.095 1119 L HA -0.211 4.106 4.340 -0.037 0.000 0.204 1119 L C 1.077 177.917 176.870 -0.050 0.000 1.080 1119 L CA 2.626 57.436 54.840 -0.051 0.000 0.759 1119 L CB 0.509 42.534 42.059 -0.057 0.000 0.914 1119 L HN -0.073 7.989 8.230 -0.076 0.123 0.439 1120 L N -4.060 117.123 121.223 -0.068 0.000 2.446 1120 L HA 0.006 4.321 4.340 -0.041 0.000 0.219 1120 L C 0.352 177.207 176.870 -0.024 0.000 1.116 1120 L CA 0.144 54.952 54.840 -0.052 0.000 0.844 1120 L CB 0.483 42.495 42.059 -0.080 0.000 0.970 1120 L HN -0.283 7.891 8.230 -0.093 0.000 0.457 1121 G N -1.737 107.046 108.800 -0.028 0.000 2.167 1121 G HA2 -0.349 3.604 3.960 -0.011 0.000 0.194 1121 G HA3 -0.349 3.614 3.960 0.005 0.000 0.194 1121 G C -0.545 174.364 174.900 0.014 0.000 1.027 1121 G CA -0.140 44.957 45.100 -0.006 0.000 0.717 1121 G HN 0.040 8.261 8.290 -0.048 0.040 0.501 1122 I N -0.963 119.603 120.570 -0.006 0.000 2.359 1122 I HA 0.444 4.670 4.170 0.093 0.000 0.284 1122 I C -1.381 174.724 176.117 -0.020 0.000 1.018 1122 I CA -3.142 58.180 61.300 0.036 0.000 1.173 1122 I CB 0.480 38.522 38.000 0.069 0.000 1.326 1122 I HN -0.097 7.973 8.210 -0.050 0.111 0.462 1123 P HA 0.191 4.589 4.420 -0.036 0.000 0.245 1123 P C -0.654 176.649 177.300 0.005 0.000 1.199 1123 P CA 0.836 63.931 63.100 -0.008 0.000 0.807 1123 P CB 0.616 32.323 31.700 0.011 0.000 1.002 1124 D N -2.264 118.164 120.400 0.046 0.000 2.571 1124 D HA 0.145 4.826 4.640 0.068 0.000 0.239 1124 D C -0.206 176.174 176.300 0.135 0.000 1.267 1124 D CA -0.446 53.599 54.000 0.075 0.000 0.823 1124 D CB 0.228 41.067 40.800 0.064 0.000 1.056 1124 D HN -0.148 8.231 8.370 0.075 0.036 0.494 1125 Y N 2.143 122.417 120.300 -0.043 0.000 2.165 1125 Y HA -0.411 4.377 4.550 0.397 0.000 0.286 1125 Y C -0.016 175.963 175.900 0.131 0.000 1.155 1125 Y CA 4.066 62.172 58.100 0.010 0.000 1.164 1125 Y CB 0.246 38.474 38.460 -0.386 0.000 0.978 1125 Y HN -0.497 7.811 8.280 0.046 0.000 0.513 1126 F N -7.960 112.179 119.950 0.314 0.000 2.695 1126 F HA 0.044 4.717 4.527 0.243 0.000 0.301 1126 F C -0.016 175.857 175.800 0.121 0.000 1.182 1126 F CA -1.131 56.995 58.000 0.210 0.000 1.412 1126 F CB -1.893 37.203 39.000 0.160 0.000 1.056 1126 F HN -0.044 8.193 8.300 -0.095 0.006 0.522 1127 D N -1.477 119.065 120.400 0.236 0.000 2.479 1127 D HA 0.067 4.793 4.640 0.144 0.000 0.221 1127 D C -0.021 176.333 176.300 0.091 0.000 1.104 1127 D CA 0.713 54.798 54.000 0.141 0.000 0.849 1127 D CB 2.213 43.074 40.800 0.102 0.000 1.072 1127 D HN -0.027 8.244 8.370 0.211 0.225 0.502 1128 I N -0.972 119.647 120.570 0.081 0.000 2.810 1128 I HA -0.070 4.104 4.170 0.006 0.000 0.262 1128 I C -0.174 175.972 176.117 0.049 0.000 1.131 1128 I CA 1.589 62.904 61.300 0.025 0.000 1.453 1128 I CB 1.741 39.726 38.000 -0.025 0.000 1.161 1128 I HN -0.766 7.397 8.210 0.114 0.115 0.444 1129 V N -3.850 116.109 119.914 0.076 0.000 2.713 1129 V HA 0.110 4.287 4.120 0.096 0.000 0.307 1129 V C -0.739 175.451 176.094 0.159 0.000 1.052 1129 V CA -1.888 60.484 62.300 0.120 0.000 0.967 1129 V CB 1.785 33.703 31.823 0.160 0.000 1.019 1129 V HN -0.303 7.939 8.190 0.086 0.000 0.459 1130 K N 0.814 121.286 120.400 0.120 0.000 2.380 1130 K HA 0.219 4.594 4.320 0.092 0.000 0.198 1130 K C -0.699 175.936 176.600 0.059 0.000 1.070 1130 K CA -0.839 55.500 56.287 0.086 0.000 1.040 1130 K CB 0.743 33.282 32.500 0.065 0.000 0.903 1130 K HN 0.557 8.873 8.250 0.111 0.000 0.549 1131 N N -1.458 117.291 118.700 0.081 0.000 2.827 1131 N HA 0.318 5.060 4.740 0.004 0.000 0.240 1131 N C -2.424 173.142 175.510 0.093 0.000 1.352 1131 N CA -1.294 51.785 53.050 0.049 0.000 0.760 1131 N CB 1.491 39.999 38.487 0.035 0.000 1.426 1131 N HN -0.614 7.786 8.380 0.115 0.049 0.561 1132 P HA -0.083 4.554 4.420 0.362 0.000 0.214 1132 P C -0.823 176.532 177.300 0.091 0.000 1.162 1132 P CA 1.226 64.481 63.100 0.258 0.000 0.879 1132 P CB 0.594 32.540 31.700 0.411 0.000 0.786 1133 M N -1.515 118.098 119.600 0.021 0.000 7.308 1133 M HA -0.467 3.998 4.480 -0.025 0.000 0.157 1133 M C -2.620 173.660 176.300 -0.034 0.000 0.490 1133 M CA 1.131 56.411 55.300 -0.032 0.000 1.310 1133 M CB 0.243 32.791 32.600 -0.088 0.000 0.430 1133 M HN -0.441 7.854 8.290 0.008 0.000 0.190 1134 D N 0.435 120.811 120.400 -0.041 0.000 2.927 1134 D HA 0.244 4.894 4.640 0.017 0.000 0.219 1134 D C 0.166 176.451 176.300 -0.024 0.000 1.248 1134 D CA -0.496 53.498 54.000 -0.009 0.000 0.861 1134 D CB 4.030 44.839 40.800 0.015 0.000 1.677 1134 D HN -0.146 8.201 8.370 -0.037 0.000 0.511 1135 L N 2.192 123.390 121.223 -0.042 0.000 2.351 1135 L HA -0.407 3.940 4.340 0.012 0.000 0.220 1135 L C 1.946 178.912 176.870 0.160 0.000 1.127 1135 L CA 3.324 58.172 54.840 0.014 0.000 0.786 1135 L CB -0.727 41.277 42.059 -0.092 0.000 0.914 1135 L HN 0.809 8.954 8.230 -0.003 0.084 0.443 1136 S N -0.982 114.764 115.700 0.078 0.000 2.357 1136 S HA -0.120 4.484 4.470 0.223 0.000 0.221 1136 S C 2.165 176.824 174.600 0.098 0.000 1.031 1136 S CA 2.616 60.887 58.200 0.117 0.000 0.982 1136 S CB 0.054 63.281 63.200 0.045 0.000 0.853 1136 S HN 0.262 8.509 8.310 0.015 0.072 0.458 1137 T N 4.872 119.462 114.554 0.060 0.000 2.951 1137 T HA -0.223 4.147 4.350 0.033 0.000 0.268 1137 T C 1.858 176.610 174.700 0.087 0.000 1.073 1137 T CA 3.745 65.873 62.100 0.046 0.000 1.134 1137 T CB -0.130 68.748 68.868 0.017 0.000 0.884 1137 T HN -0.350 7.829 8.240 0.040 0.084 0.479 1138 I N 2.654 123.304 120.570 0.134 0.000 2.235 1138 I HA -0.178 4.210 4.170 0.363 0.000 0.241 1138 I C 1.437 177.769 176.117 0.360 0.000 1.085 1138 I CA 2.711 64.178 61.300 0.279 0.000 1.378 1138 I CB 0.382 38.479 38.000 0.161 0.000 1.076 1138 I HN 0.633 8.670 8.210 0.098 0.232 0.415 1139 K N -2.262 118.295 120.400 0.262 0.000 2.362 1139 K HA -0.233 4.177 4.320 0.151 0.000 0.200 1139 K C 2.105 178.757 176.600 0.087 0.000 1.046 1139 K CA 2.395 58.780 56.287 0.164 0.000 0.952 1139 K CB 0.189 32.763 32.500 0.124 0.000 0.753 1139 K HN -0.042 8.228 8.250 0.258 0.135 0.466 1140 R N -1.138 119.412 120.500 0.084 0.000 2.075 1140 R HA -0.178 4.163 4.340 0.003 0.000 0.220 1140 R C 1.570 177.845 176.300 -0.041 0.000 1.118 1140 R CA 2.457 58.567 56.100 0.017 0.000 0.986 1140 R CB -0.274 30.037 30.300 0.017 0.000 0.884 1140 R HN -0.401 7.796 8.270 0.118 0.143 0.439 1141 K N -0.185 120.180 120.400 -0.058 0.000 2.360 1141 K HA -0.295 3.873 4.320 -0.253 0.000 0.201 1141 K C 2.153 178.431 176.600 -0.537 0.000 1.046 1141 K CA 3.247 59.358 56.287 -0.292 0.000 0.940 1141 K CB -0.363 31.960 32.500 -0.294 0.000 0.748 1141 K HN -0.057 8.019 8.250 0.028 0.191 0.465 1142 L N -3.195 117.967 121.223 -0.100 0.000 2.249 1142 L HA -0.153 4.278 4.340 0.152 0.000 0.207 1142 L C -0.491 176.370 176.870 -0.016 0.000 1.090 1142 L CA 3.134 58.040 54.840 0.111 0.000 0.802 1142 L CB 0.192 42.411 42.059 0.266 0.000 0.947 1142 L HN -0.508 7.592 8.230 0.048 0.159 0.453 1143 D N -5.342 115.034 120.400 -0.040 0.000 2.342 1143 D HA -0.040 4.574 4.640 -0.044 0.000 0.221 1143 D C 0.029 176.295 176.300 -0.058 0.000 1.101 1143 D CA 1.467 55.439 54.000 -0.046 0.000 0.837 1143 D CB -0.053 40.723 40.800 -0.040 0.000 0.938 1143 D HN -0.027 8.086 8.370 -0.030 0.239 0.508 1144 T N -4.743 109.757 114.554 -0.089 0.000 2.954 1144 T HA 0.176 4.489 4.350 -0.062 0.000 0.252 1144 T C 0.669 175.311 174.700 -0.097 0.000 0.983 1144 T CA -0.395 61.653 62.100 -0.088 0.000 0.941 1144 T CB 1.319 70.129 68.868 -0.096 0.000 1.141 1144 T HN -0.487 7.491 8.240 -0.124 0.188 0.500 1145 G N 2.469 111.187 108.800 -0.138 0.000 2.526 1145 G HA2 -0.278 3.635 3.960 -0.078 0.000 0.225 1145 G HA3 -0.278 3.645 3.960 -0.062 0.000 0.225 1145 G C -0.150 174.658 174.900 -0.152 0.000 1.120 1145 G CA 0.035 45.070 45.100 -0.108 0.000 0.904 1145 G HN -0.689 7.493 8.290 -0.180 0.000 0.498 1146 Q N -2.502 117.093 119.800 -0.342 0.000 2.198 1146 Q HA 0.042 4.290 4.340 -0.153 0.000 0.209 1146 Q C -0.584 175.257 176.000 -0.264 0.000 0.848 1146 Q CA -0.278 55.332 55.803 -0.321 0.000 0.974 1146 Q CB 1.063 29.577 28.738 -0.372 0.000 1.115 1146 Q HN 0.248 8.202 8.270 -0.526 0.000 0.494 1147 Y N -1.186 119.161 120.300 0.078 0.000 2.740 1147 Y HA -0.005 4.616 4.550 0.119 0.000 0.257 1147 Y C 0.635 176.604 175.900 0.115 0.000 1.064 1147 Y CA 0.044 58.212 58.100 0.112 0.000 1.351 1147 Y CB 0.796 39.338 38.460 0.136 0.000 1.439 1147 Y HN -0.484 7.654 8.280 -0.126 0.066 0.488 1148 Q N -5.767 114.199 119.800 0.277 0.000 2.253 1148 Q HA -0.344 4.193 4.340 0.191 -0.083 0.186 1148 Q C -2.131 174.025 176.000 0.261 0.000 0.624 1148 Q CA 1.720 57.649 55.803 0.209 0.000 1.417 1148 Q CB -1.322 27.497 28.738 0.135 0.000 1.543 1148 Q HN 0.193 8.630 8.270 0.278 0.000 0.809 1149 E N -4.028 116.360 120.200 0.314 0.000 2.304 1149 E HA 0.365 4.962 4.350 0.412 0.000 0.277 1149 E C -2.402 174.391 176.600 0.322 0.000 0.898 1149 E CA -3.724 52.880 56.400 0.341 0.000 0.764 1149 E CB 1.690 31.562 29.700 0.287 0.000 1.216 1149 E HN -0.400 8.002 8.360 0.358 0.173 0.419 1150 P HA -0.202 4.229 4.420 0.019 0.000 0.216 1150 P C 0.924 178.288 177.300 0.108 0.000 1.153 1150 P CA 2.415 65.575 63.100 0.100 0.000 0.858 1150 P CB 0.131 31.833 31.700 0.004 0.000 0.789 1151 W N -3.593 117.797 121.300 0.150 0.000 2.338 1151 W HA -0.205 4.552 4.660 0.163 0.000 0.304 1151 W C 2.109 178.677 176.519 0.082 0.000 1.212 1151 W CA 3.113 60.535 57.345 0.129 0.000 1.264 1151 W CB -0.924 28.597 29.460 0.102 0.000 1.142 1151 W HN -0.037 8.407 8.180 0.440 0.000 0.512 1152 Q N -2.894 117.090 119.800 0.307 0.000 2.082 1152 Q HA -0.516 3.965 4.340 0.235 0.000 0.211 1152 Q C 2.387 178.390 176.000 0.005 0.000 1.002 1152 Q CA 2.812 58.747 55.803 0.220 0.000 0.868 1152 Q CB -1.338 27.616 28.738 0.361 0.000 0.931 1152 Q HN -0.212 8.261 8.270 0.352 0.007 0.414 1153 Y N 0.555 120.479 120.300 -0.626 0.000 2.145 1153 Y HA -0.310 3.714 4.550 -1.091 -0.129 0.286 1153 Y C 1.805 177.542 175.900 -0.271 0.000 1.145 1153 Y CA 2.879 60.396 58.100 -0.972 0.000 1.148 1153 Y CB -0.334 37.339 38.460 -1.312 0.000 0.981 1153 Y HN -0.784 7.288 8.280 -0.353 -0.004 0.507 1154 V N -0.344 119.460 119.914 -0.182 0.000 2.282 1154 V HA -0.672 3.388 4.120 -0.099 0.000 0.249 1154 V C 1.879 178.098 176.094 0.208 0.000 1.057 1154 V CA 4.947 67.285 62.300 0.064 0.000 1.032 1154 V CB -0.837 31.172 31.823 0.309 0.000 0.645 1154 V HN -0.467 7.713 8.190 0.111 0.076 0.447 1155 D N -1.993 118.524 120.400 0.194 0.000 2.182 1155 D HA -0.340 4.467 4.640 0.277 0.000 0.201 1155 D C 1.191 177.526 176.300 0.058 0.000 0.986 1155 D CA 3.607 57.720 54.000 0.187 0.000 0.847 1155 D CB -0.026 40.868 40.800 0.156 0.000 0.942 1155 D HN 0.149 8.637 8.370 0.197 0.000 0.467 1156 D N -1.015 119.328 120.400 -0.095 0.000 2.162 1156 D HA -0.143 4.447 4.640 -0.083 0.000 0.203 1156 D C 1.896 177.946 176.300 -0.416 0.000 0.967 1156 D CA 3.083 56.979 54.000 -0.173 0.000 0.840 1156 D CB 0.490 41.238 40.800 -0.087 0.000 0.972 1156 D HN -0.681 7.480 8.370 -0.125 0.133 0.482 1157 V N -0.048 119.419 119.914 -0.746 0.000 2.719 1157 V HA -0.284 3.153 4.120 -1.138 0.000 0.252 1157 V C 1.029 176.409 176.094 -1.190 0.000 1.065 1157 V CA 3.505 65.067 62.300 -1.229 0.000 1.086 1157 V CB -0.012 30.711 31.823 -1.834 0.000 0.700 1157 V HN 0.129 7.756 8.190 -0.795 0.087 0.467 1158 W N -1.540 119.498 121.300 -0.436 0.000 2.770 1158 W HA -0.191 4.439 4.660 -0.049 0.000 0.256 1158 W C 1.720 178.120 176.519 -0.198 0.000 1.291 1158 W CA 3.619 60.883 57.345 -0.134 0.000 1.396 1158 W CB 0.043 29.562 29.460 0.099 0.000 1.114 1158 W HN 0.142 8.220 8.180 -0.128 0.026 0.637 1159 L N 0.809 121.991 121.223 -0.068 0.000 1.993 1159 L HA -0.448 3.914 4.340 0.038 0.000 0.206 1159 L C 1.778 178.555 176.870 -0.156 0.000 1.074 1159 L CA 3.416 58.221 54.840 -0.058 0.000 0.746 1159 L CB 0.078 42.099 42.059 -0.064 0.000 0.896 1159 L HN -0.873 7.152 8.230 -0.155 0.112 0.435 1160 M N -0.518 118.880 119.600 -0.337 0.000 2.202 1160 M HA -0.251 4.392 4.480 -0.160 -0.259 0.262 1160 M C 2.372 178.364 176.300 -0.512 0.000 1.063 1160 M CA 2.574 57.639 55.300 -0.392 0.000 1.097 1160 M CB -0.899 31.388 32.600 -0.521 0.000 1.382 1160 M HN 0.031 8.078 8.290 -0.405 0.000 0.413 1161 F N -2.584 116.919 119.950 -0.746 0.000 2.293 1161 F HA 0.022 3.770 4.527 -1.298 0.000 0.297 1161 F C 2.729 177.934 175.800 -0.991 0.000 1.089 1161 F CA 0.243 57.553 58.000 -1.150 0.000 1.377 1161 F CB -1.347 36.846 39.000 -1.345 0.000 1.051 1161 F HN -0.420 7.328 8.300 -0.756 0.098 0.511 1162 N N 0.130 118.712 118.700 -0.196 0.000 2.135 1162 N HA -0.253 4.679 4.740 0.320 0.000 0.186 1162 N C 1.855 177.464 175.510 0.164 0.000 1.027 1162 N CA 3.058 56.181 53.050 0.121 0.000 0.849 1162 N CB 0.119 38.720 38.487 0.189 0.000 1.002 1162 N HN -0.161 7.918 8.380 -0.144 0.215 0.425 1163 N N -0.770 117.988 118.700 0.098 0.000 2.396 1163 N HA -0.231 4.610 4.740 0.168 0.000 0.180 1163 N C 1.578 177.222 175.510 0.222 0.000 1.028 1163 N CA 2.782 55.929 53.050 0.161 0.000 0.893 1163 N CB -0.445 38.153 38.487 0.185 0.000 0.967 1163 N HN 0.494 8.787 8.380 0.028 0.104 0.440 1164 A N 0.428 123.351 122.820 0.172 0.000 2.021 1164 A HA -0.030 4.519 4.320 0.381 0.000 0.216 1164 A C 1.565 179.415 177.584 0.444 0.000 1.163 1164 A CA 2.293 54.504 52.037 0.289 0.000 0.676 1164 A CB -0.317 18.821 19.000 0.230 0.000 0.818 1164 A HN -0.438 7.587 8.150 0.007 0.129 0.453 1165 W N -3.094 118.363 121.300 0.263 0.000 2.658 1165 W HA -0.020 4.944 4.660 0.506 0.000 0.263 1165 W C 1.153 177.843 176.519 0.284 0.000 1.274 1165 W CA 1.116 58.658 57.345 0.328 0.000 1.343 1165 W CB -0.308 29.291 29.460 0.232 0.000 1.106 1165 W HN -0.312 7.886 8.180 0.251 0.133 0.615 1166 L N -4.310 117.157 121.223 0.407 0.000 2.362 1166 L HA 0.015 4.486 4.340 0.219 0.000 0.204 1166 L C 2.077 179.040 176.870 0.155 0.000 1.060 1166 L CA 2.294 57.278 54.840 0.240 0.000 0.827 1166 L CB -1.113 41.057 42.059 0.184 0.000 1.027 1166 L HN -0.566 7.741 8.230 0.380 0.150 0.474 1167 Y N 1.073 121.399 120.300 0.043 0.000 2.070 1167 Y HA -0.428 4.047 4.550 -0.124 0.000 0.280 1167 Y C 0.516 176.425 175.900 0.015 0.000 1.148 1167 Y CA 4.105 62.163 58.100 -0.071 0.000 1.125 1167 Y CB 0.299 38.610 38.460 -0.248 0.000 0.975 1167 Y HN 0.081 8.416 8.280 0.295 0.122 0.492 1168 N N -3.736 115.171 118.700 0.345 0.000 2.434 1168 N HA -0.026 4.770 4.740 0.093 0.000 0.196 1168 N C -0.872 174.699 175.510 0.102 0.000 1.183 1168 N CA 0.766 53.953 53.050 0.229 0.000 0.849 1168 N CB 0.298 38.996 38.487 0.351 0.000 0.992 1168 N HN -0.589 8.090 8.380 0.499 0.000 0.460 1169 R N -4.617 115.932 120.500 0.082 0.000 3.836 1169 R HA -0.557 3.878 4.340 0.051 -0.065 0.376 1169 R C -0.843 175.385 176.300 -0.121 0.000 0.342 1169 R CA 2.798 58.901 56.100 0.005 0.000 1.185 1169 R CB -1.147 29.110 30.300 -0.073 0.000 0.886 1169 R HN -0.290 7.796 8.270 0.102 0.245 0.568 1170 K N -0.159 120.060 120.400 -0.301 0.000 2.575 1170 K HA 0.079 3.558 4.320 -1.400 0.000 0.279 1170 K C -0.888 175.456 176.600 -0.427 0.000 0.969 1170 K CA -0.776 55.065 56.287 -0.744 0.000 0.868 1170 K CB 1.790 33.847 32.500 -0.737 0.000 1.457 1170 K HN -0.291 7.842 8.250 -0.194 0.000 0.426 1171 T N -3.296 110.990 114.554 -0.448 0.000 5.658 1171 T HA -0.312 3.972 4.350 -0.110 0.000 0.271 1171 T C -1.222 173.443 174.700 -0.059 0.000 2.170 1171 T CA 1.092 63.094 62.100 -0.164 0.000 3.657 1171 T CB -0.839 67.954 68.868 -0.124 0.000 0.929 1171 T HN 0.448 8.211 8.240 -0.795 0.000 1.134 1172 S N 0.953 116.641 115.700 -0.021 0.000 2.566 1172 S HA 0.216 4.686 4.470 0.001 0.000 0.277 1172 S C 0.124 174.746 174.600 0.037 0.000 1.150 1172 S CA -0.599 57.618 58.200 0.030 0.000 1.032 1172 S CB 1.202 64.445 63.200 0.072 0.000 1.157 1172 S HN 0.052 8.267 8.310 -0.067 0.055 0.507 1173 R N -0.061 120.392 120.500 -0.078 0.000 2.055 1173 R HA 0.087 4.316 4.340 -0.185 0.000 0.221 1173 R C 1.841 177.767 176.300 -0.625 0.000 1.154 1173 R CA 2.773 58.672 56.100 -0.335 0.000 0.975 1173 R CB -0.159 29.871 30.300 -0.450 0.000 0.869 1173 R HN 0.318 8.549 8.270 -0.065 0.000 0.437 1174 V N -4.435 115.181 119.914 -0.497 0.000 3.026 1174 V HA -0.249 3.526 4.120 -0.576 0.000 0.265 1174 V C 0.358 176.605 176.094 0.254 0.000 1.121 1174 V CA 2.953 65.127 62.300 -0.210 0.000 1.142 1174 V CB -0.889 30.980 31.823 0.077 0.000 0.730 1174 V HN 0.010 8.010 8.190 -0.317 0.000 0.503 1175 Y N 0.852 121.247 120.300 0.158 0.000 2.242 1175 Y HA -0.357 4.537 4.550 0.573 0.000 0.291 1175 Y C 0.718 176.812 175.900 0.323 0.000 1.137 1175 Y CA 3.415 61.710 58.100 0.326 0.000 1.181 1175 Y CB -0.047 38.525 38.460 0.187 0.000 0.989 1175 Y HN -0.091 8.272 8.280 0.246 0.064 0.527 1176 K N -0.995 119.594 120.400 0.316 0.000 2.116 1176 K HA -0.315 4.140 4.320 0.225 0.000 0.203 1176 K C 2.464 179.305 176.600 0.401 0.000 1.052 1176 K CA 3.024 59.493 56.287 0.303 0.000 0.952 1176 K CB -0.214 32.475 32.500 0.316 0.000 0.729 1176 K HN -0.314 7.961 8.250 0.263 0.133 0.446 1177 F N -0.388 119.651 119.950 0.148 0.000 2.134 1177 F HA -0.124 4.455 4.527 0.088 0.000 0.299 1177 F C 2.353 178.238 175.800 0.141 0.000 1.097 1177 F CA 0.891 58.978 58.000 0.145 0.000 1.264 1177 F CB -0.902 38.185 39.000 0.146 0.000 1.001 1177 F HN -0.101 8.411 8.300 0.494 0.085 0.479 1178 C N -1.751 117.746 119.300 0.329 0.000 2.446 1178 C HA -0.387 3.690 4.460 -0.638 0.000 0.279 1178 C C 1.931 176.782 174.990 -0.232 0.000 1.366 1178 C CA 4.338 63.203 59.018 -0.254 0.000 1.763 1178 C CB -0.662 26.851 27.740 -0.379 0.000 1.929 1178 C HN 0.480 8.845 8.230 0.434 0.126 0.509 1179 S N 1.291 117.067 115.700 0.127 0.000 2.343 1179 S HA -0.364 4.240 4.470 0.224 0.000 0.219 1179 S C 1.612 176.213 174.600 0.002 0.000 1.033 1179 S CA 3.846 62.093 58.200 0.078 0.000 1.014 1179 S CB -0.205 62.974 63.200 -0.035 0.000 0.915 1179 S HN -0.277 8.006 8.310 0.169 0.128 0.435 1180 K N 1.502 121.904 120.400 0.003 0.000 2.097 1180 K HA -0.243 4.086 4.320 0.016 0.000 0.206 1180 K C 2.058 178.630 176.600 -0.048 0.000 1.049 1180 K CA 2.152 58.438 56.287 -0.001 0.000 0.933 1180 K CB -0.620 31.891 32.500 0.019 0.000 0.717 1180 K HN -0.712 7.566 8.250 0.047 0.000 0.442 1181 L N -1.718 119.412 121.223 -0.156 0.000 2.012 1181 L HA -0.410 3.927 4.340 -0.004 0.000 0.210 1181 L C 1.890 178.631 176.870 -0.216 0.000 1.073 1181 L CA 3.470 58.192 54.840 -0.197 0.000 0.748 1181 L CB -0.477 41.373 42.059 -0.348 0.000 0.891 1181 L HN -0.518 7.611 8.230 -0.157 0.007 0.431 1182 A N -2.566 119.943 122.820 -0.518 0.000 2.024 1182 A HA -0.376 3.864 4.320 -0.134 0.000 0.220 1182 A C 2.132 179.762 177.584 0.076 0.000 1.164 1182 A CA 3.086 54.999 52.037 -0.206 0.000 0.643 1182 A CB -1.123 17.904 19.000 0.044 0.000 0.806 1182 A HN 0.037 7.702 8.150 -0.686 0.073 0.451 1183 E N 0.208 120.441 120.200 0.055 0.000 2.005 1183 E HA -0.252 4.159 4.350 0.103 0.000 0.191 1183 E C 2.262 178.920 176.600 0.097 0.000 0.987 1183 E CA 2.145 58.594 56.400 0.082 0.000 0.814 1183 E CB -0.177 29.556 29.700 0.054 0.000 0.772 1183 E HN -0.622 7.566 8.360 -0.009 0.166 0.453 1184 V N 1.652 121.623 119.914 0.096 0.000 2.324 1184 V HA -0.394 4.021 4.120 0.086 -0.243 0.250 1184 V C 1.698 177.905 176.094 0.188 0.000 1.060 1184 V CA 3.246 65.614 62.300 0.114 0.000 1.042 1184 V CB -0.671 31.213 31.823 0.102 0.000 0.650 1184 V HN -0.071 8.161 8.190 0.069 0.000 0.450 1185 F N 0.702 120.668 119.950 0.026 0.000 2.043 1185 F HA -0.362 4.194 4.527 0.049 0.000 0.297 1185 F C 1.634 177.471 175.800 0.062 0.000 1.121 1185 F CA 1.879 59.897 58.000 0.030 0.000 1.199 1185 F CB -0.640 38.344 39.000 -0.027 0.000 0.968 1185 F HN 0.470 8.826 8.300 0.288 0.117 0.478 1186 E N -2.578 117.592 120.200 -0.051 0.000 2.472 1186 E HA -0.264 3.946 4.350 -0.234 0.000 0.200 1186 E C 1.487 178.087 176.600 0.000 0.000 1.046 1186 E CA 2.078 58.427 56.400 -0.084 0.000 0.871 1186 E CB -0.535 29.199 29.700 0.057 0.000 0.806 1186 E HN -0.313 7.972 8.360 0.061 0.112 0.533 1187 Q N -2.984 116.846 119.800 0.049 0.000 2.408 1187 Q HA -0.101 4.260 4.340 0.035 0.000 0.205 1187 Q C 0.089 176.118 176.000 0.049 0.000 0.919 1187 Q CA 1.433 57.265 55.803 0.049 0.000 0.932 1187 Q CB 0.533 29.306 28.738 0.058 0.000 1.058 1187 Q HN -0.558 7.603 8.270 0.087 0.161 0.517 1188 E N -0.771 119.473 120.200 0.073 0.000 2.419 1188 E HA 0.076 4.453 4.350 0.046 0.000 0.197 1188 E C 1.723 178.355 176.600 0.053 0.000 0.920 1188 E CA 0.271 56.717 56.400 0.077 0.000 1.085 1188 E CB 0.745 30.527 29.700 0.138 0.000 1.084 1188 E HN 0.007 8.210 8.360 0.093 0.213 0.490 1189 I N 1.288 121.907 120.570 0.083 0.000 2.394 1189 I HA -0.388 3.806 4.170 0.041 0.000 0.251 1189 I C 0.850 176.897 176.117 -0.118 0.000 1.136 1189 I CA 2.789 64.090 61.300 0.003 0.000 1.425 1189 I CB 0.327 38.301 38.000 -0.044 0.000 1.079 1189 I HN 0.767 8.952 8.210 0.160 0.121 0.425 1190 D N 0.659 120.999 120.400 -0.101 0.000 2.084 1190 D HA -0.120 4.456 4.640 -0.107 0.000 0.194 1190 D C -0.857 175.416 176.300 -0.045 0.000 0.990 1190 D CA 5.728 59.683 54.000 -0.074 0.000 0.826 1190 D CB -1.771 39.011 40.800 -0.030 0.000 0.971 1190 D HN -0.459 7.745 8.370 -0.082 0.116 0.453 1191 P HA -0.114 4.598 4.420 -0.002 -0.294 0.222 1191 P C 1.347 178.631 177.300 -0.027 0.000 1.147 1191 P CA 1.935 65.028 63.100 -0.012 0.000 0.790 1191 P CB 0.042 31.740 31.700 -0.004 0.000 0.780 1192 V N -0.427 119.457 119.914 -0.050 0.000 2.256 1192 V HA -0.508 3.568 4.120 -0.073 0.000 0.240 1192 V C 1.039 177.076 176.094 -0.095 0.000 1.036 1192 V CA 4.009 66.263 62.300 -0.078 0.000 1.008 1192 V CB 0.215 31.987 31.823 -0.084 0.000 0.648 1192 V HN -0.093 7.887 8.190 -0.048 0.181 0.453 1193 M N -2.514 116.992 119.600 -0.156 0.000 2.426 1193 M HA -0.450 3.880 4.480 -0.250 0.000 0.261 1193 M C 1.859 178.158 176.300 -0.003 0.000 1.068 1193 M CA 3.295 58.472 55.300 -0.205 0.000 1.066 1193 M CB -0.791 31.541 32.600 -0.447 0.000 1.399 1193 M HN 0.646 8.696 8.290 -0.173 0.136 0.449 1194 Q N -3.626 116.182 119.800 0.014 0.000 2.339 1194 Q HA -0.091 4.318 4.340 0.116 0.000 0.205 1194 Q C 1.275 177.328 176.000 0.088 0.000 0.925 1194 Q CA 2.172 58.018 55.803 0.072 0.000 0.898 1194 Q CB -0.069 28.699 28.738 0.051 0.000 1.013 1194 Q HN -0.343 7.744 8.270 -0.022 0.170 0.504 1195 S N -0.696 115.028 115.700 0.040 0.000 2.428 1195 S HA -0.144 4.360 4.470 0.057 0.000 0.230 1195 S C 1.794 176.426 174.600 0.054 0.000 1.014 1195 S CA 3.053 61.273 58.200 0.032 0.000 0.957 1195 S CB 0.597 63.782 63.200 -0.027 0.000 0.784 1195 S HN -0.222 7.965 8.310 0.004 0.125 0.499 1196 L N -1.581 119.683 121.223 0.067 0.000 2.316 1196 L HA 0.051 4.471 4.340 0.135 0.000 0.207 1196 L C -0.057 177.080 176.870 0.445 0.000 1.070 1196 L CA 0.859 55.829 54.840 0.217 0.000 0.820 1196 L CB 0.368 42.468 42.059 0.069 0.000 0.992 1196 L HN 0.264 8.486 8.230 0.038 0.031 0.466 1197 G N 0.000 108.971 108.800 0.285 0.000 5.446 1197 G HA2 0.000 nan 3.960 nan 0.000 0.244 1197 G HA3 0.000 4.233 3.960 0.283 -0.103 0.244 1197 G CA 0.000 45.271 45.100 0.286 0.000 0.502 1197 G HN 0.000 8.216 8.290 0.197 0.193 0.925