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 2arf_1_A DATA FIRST_RESID 1032 DATA SEQUENCE AGHMVPRVMR VLLLGDVATL PLRKVLAVVG TAEASSEHPL GVAVTKYCKE DATA SEQUENCE ELGTETLGYC TDFQAVPGCG IGCKVSNVEG ILAHSERPLS APASHLNEAG DATA SEQUENCE SLPAEKDAVP QTFSVLIGNR EWLRRNGLTI SSDVSDAMTD HEMKGQTAIL DATA SEQUENCE VAIDGVLCGM IAIAD 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 1032 A HA 0.000 4.268 4.320 -0.087 0.000 0.244 1032 A C 0.000 177.494 177.584 -0.150 0.000 1.274 1032 A CA 0.000 51.974 52.037 -0.105 0.000 0.836 1032 A CB 0.000 18.965 19.000 -0.058 0.000 0.831 1033 G N -1.427 107.269 108.800 -0.173 0.000 2.866 1033 G HA2 0.190 4.038 3.960 -0.187 0.000 0.289 1033 G HA3 0.190 4.107 3.960 -0.072 0.000 0.289 1033 G C -1.931 172.860 174.900 -0.182 0.000 1.396 1033 G CA -0.085 44.916 45.100 -0.164 0.000 0.848 1033 G HN -0.091 8.117 8.290 -0.137 0.000 0.515 1034 H N -1.003 118.062 119.070 -0.008 0.000 3.240 1034 H HA 0.262 4.811 4.556 -0.011 0.000 0.326 1034 H C -1.349 173.970 175.328 -0.016 0.000 1.015 1034 H CA 0.021 56.062 56.048 -0.012 0.000 1.504 1034 H CB 0.898 30.653 29.762 -0.011 0.000 1.754 1034 H HN 0.127 8.431 8.280 0.041 0.000 0.505 1035 M N 5.169 124.833 119.600 0.108 0.000 2.296 1035 M HA 0.119 4.615 4.480 0.027 0.000 0.268 1035 M C -2.056 174.247 176.300 0.005 0.000 1.048 1035 M CA -0.633 54.690 55.300 0.038 0.000 0.966 1035 M CB 1.510 34.129 32.600 0.031 0.000 1.912 1035 M HN 0.115 8.479 8.290 0.122 0.000 0.484 1036 V N 4.310 124.204 119.914 -0.032 0.000 2.407 1036 V HA 0.503 4.584 4.120 -0.065 0.000 0.278 1036 V C -1.965 174.090 176.094 -0.065 0.000 1.037 1036 V CA -2.836 59.419 62.300 -0.076 0.000 0.900 1036 V CB -0.345 31.397 31.823 -0.136 0.000 0.983 1036 V HN 0.098 8.269 8.190 -0.033 0.000 0.459 1037 P HA 0.260 4.681 4.420 0.000 0.000 0.318 1037 P C -1.295 176.008 177.300 0.005 0.000 1.309 1037 P CA -0.743 62.355 63.100 -0.003 0.000 0.736 1037 P CB 1.007 32.728 31.700 0.036 0.000 1.440 1038 R N -3.861 116.682 120.500 0.071 0.000 2.771 1038 R HA 0.132 4.563 4.340 0.152 0.000 0.274 1038 R C -1.482 174.909 176.300 0.152 0.000 0.987 1038 R CA -1.262 54.907 56.100 0.115 0.000 0.908 1038 R CB 2.503 32.832 30.300 0.049 0.000 1.213 1038 R HN -0.105 8.203 8.270 0.064 0.000 0.468 1039 V N 1.034 121.040 119.914 0.154 0.000 2.637 1039 V HA -0.215 3.925 4.120 0.033 0.000 0.296 1039 V C -0.239 175.864 176.094 0.014 0.000 1.046 1039 V CA 1.986 64.311 62.300 0.042 0.000 1.066 1039 V CB 0.242 32.041 31.823 -0.040 0.000 0.968 1039 V HN 0.246 8.547 8.190 0.184 0.000 0.483 1040 M N 8.986 128.587 119.600 0.003 0.000 2.691 1040 M HA 0.089 4.566 4.480 -0.004 0.000 0.261 1040 M C -0.761 175.532 176.300 -0.012 0.000 1.227 1040 M CA 0.778 56.077 55.300 -0.003 0.000 1.197 1040 M CB 2.058 34.661 32.600 0.005 0.000 1.294 1040 M HN 0.890 9.075 8.290 -0.001 0.104 0.508 1041 R N -5.354 115.138 120.500 -0.014 0.000 2.709 1041 R HA 0.288 4.621 4.340 -0.011 0.000 0.270 1041 R C -2.971 173.319 176.300 -0.016 0.000 1.038 1041 R CA -0.758 55.335 56.100 -0.012 0.000 0.872 1041 R CB 2.648 32.945 30.300 -0.005 0.000 1.259 1041 R HN 0.096 8.357 8.270 -0.015 0.000 0.473 1042 V N 1.613 121.521 119.914 -0.011 0.000 2.555 1042 V HA 0.612 4.822 4.120 -0.023 -0.104 0.302 1042 V C -1.934 174.155 176.094 -0.008 0.000 1.038 1042 V CA -2.095 60.196 62.300 -0.015 0.000 0.887 1042 V CB 2.167 33.981 31.823 -0.015 0.000 0.991 1042 V HN 0.225 8.414 8.190 -0.003 0.000 0.434 1043 L N 7.455 128.671 121.223 -0.011 0.000 2.342 1043 L HA 0.439 4.775 4.340 -0.006 0.000 0.271 1043 L C -1.219 175.643 176.870 -0.013 0.000 1.008 1043 L CA -1.666 53.168 54.840 -0.009 0.000 0.818 1043 L CB 3.977 46.031 42.059 -0.008 0.000 1.296 1043 L HN 0.448 8.669 8.230 -0.015 0.000 0.427 1044 L N 2.327 123.543 121.223 -0.012 0.000 2.380 1044 L HA -0.051 4.278 4.340 -0.018 0.000 0.273 1044 L C -0.335 176.524 176.870 -0.019 0.000 1.138 1044 L CA 1.125 55.955 54.840 -0.016 0.000 0.832 1044 L CB 0.582 42.632 42.059 -0.015 0.000 1.124 1044 L HN 0.299 8.523 8.230 -0.010 0.000 0.454 1045 L N 4.189 125.397 121.223 -0.024 0.000 3.510 1045 L HA 0.366 4.690 4.340 -0.026 0.000 0.324 1045 L C -1.609 175.241 176.870 -0.034 0.000 1.307 1045 L CA -0.547 54.277 54.840 -0.028 0.000 1.011 1045 L CB 2.575 44.617 42.059 -0.028 0.000 1.422 1045 L HN 0.047 8.194 8.230 -0.026 0.068 0.617 1046 G N -1.845 106.935 108.800 -0.033 0.000 3.122 1046 G HA2 0.113 4.154 3.960 -0.042 0.000 0.180 1046 G HA3 0.113 4.086 3.960 -0.041 -0.037 0.180 1046 G C -1.920 172.959 174.900 -0.034 0.000 1.279 1046 G CA -0.602 44.475 45.100 -0.038 0.000 0.987 1046 G HN -0.725 7.548 8.290 -0.029 0.000 0.589 1047 D N -3.826 116.552 120.400 -0.036 0.000 2.926 1047 D HA -0.067 4.557 4.640 -0.027 0.000 0.272 1047 D C -0.446 175.835 176.300 -0.032 0.000 1.172 1047 D CA 0.033 54.014 54.000 -0.030 0.000 0.731 1047 D CB 2.171 42.955 40.800 -0.027 0.000 1.282 1047 D HN -0.302 8.043 8.370 -0.042 0.000 0.430 1048 V N 0.326 120.224 119.914 -0.027 0.000 3.415 1048 V HA 0.223 4.624 4.120 -0.032 -0.300 0.325 1048 V C -0.073 176.008 176.094 -0.022 0.000 1.313 1048 V CA 0.098 62.383 62.300 -0.026 0.000 1.228 1048 V CB 0.230 32.040 31.823 -0.021 0.000 1.131 1048 V HN 0.318 8.494 8.190 -0.023 0.000 0.433 1049 A N -1.276 121.531 122.820 -0.023 0.000 2.195 1049 A HA 0.015 4.326 4.320 -0.015 0.000 0.210 1049 A C 0.213 177.785 177.584 -0.019 0.000 1.165 1049 A CA 1.508 53.534 52.037 -0.019 0.000 0.806 1049 A CB -0.187 18.802 19.000 -0.018 0.000 0.847 1049 A HN -0.100 7.922 8.150 -0.026 0.112 0.482 1050 T N -1.768 112.770 114.554 -0.026 0.000 3.019 1050 T HA 0.046 4.386 4.350 -0.017 0.000 0.247 1050 T C -0.382 174.298 174.700 -0.034 0.000 0.992 1050 T CA 0.995 63.079 62.100 -0.027 0.000 1.036 1050 T CB 1.237 70.085 68.868 -0.034 0.000 1.063 1050 T HN -0.305 7.871 8.240 -0.031 0.045 0.476 1051 L N -1.468 119.727 121.223 -0.047 0.000 3.020 1051 L HA 0.400 4.715 4.340 -0.040 0.000 0.273 1051 L C -2.985 173.850 176.870 -0.059 0.000 1.018 1051 L CA -1.344 53.459 54.840 -0.061 0.000 0.950 1051 L CB 2.465 44.458 42.059 -0.110 0.000 1.510 1051 L HN -0.804 7.399 8.230 -0.045 0.000 0.404 1052 P HA 0.247 4.647 4.420 -0.034 0.000 0.281 1052 P C -0.123 177.143 177.300 -0.056 0.000 1.252 1052 P CA -0.404 62.669 63.100 -0.044 0.000 0.778 1052 P CB 0.482 32.165 31.700 -0.028 0.000 0.895 1053 L N 6.021 127.217 121.223 -0.044 0.000 2.201 1053 L HA -0.284 4.021 4.340 -0.059 0.000 0.212 1053 L C 1.667 178.515 176.870 -0.037 0.000 1.105 1053 L CA 2.928 57.741 54.840 -0.045 0.000 0.775 1053 L CB 0.149 42.187 42.059 -0.035 0.000 0.913 1053 L HN 0.506 8.715 8.230 -0.036 0.000 0.440 1054 R N -0.989 119.495 120.500 -0.027 0.000 2.073 1054 R HA -0.288 4.044 4.340 -0.013 0.000 0.234 1054 R C 2.379 178.674 176.300 -0.008 0.000 1.134 1054 R CA 4.015 60.106 56.100 -0.015 0.000 0.952 1054 R CB -0.562 29.733 30.300 -0.009 0.000 0.850 1054 R HN 0.162 8.389 8.270 -0.026 0.028 0.433 1055 K N -0.449 119.942 120.400 -0.016 0.000 2.025 1055 K HA -0.209 4.132 4.320 0.036 0.000 0.207 1055 K C 2.061 178.644 176.600 -0.028 0.000 1.049 1055 K CA 3.226 59.512 56.287 -0.001 0.000 0.933 1055 K CB -0.498 31.995 32.500 -0.012 0.000 0.714 1055 K HN -0.237 7.999 8.250 -0.025 0.000 0.438 1056 V N 0.075 119.933 119.914 -0.093 0.000 2.392 1056 V HA -0.417 3.584 4.120 -0.197 0.000 0.249 1056 V C 1.988 178.041 176.094 -0.069 0.000 1.059 1056 V CA 4.403 66.625 62.300 -0.131 0.000 1.051 1056 V CB -0.342 31.395 31.823 -0.143 0.000 0.658 1056 V HN -0.197 7.937 8.190 -0.094 0.000 0.455 1057 L N -1.275 119.925 121.223 -0.038 0.000 2.141 1057 L HA -0.398 3.928 4.340 -0.024 0.000 0.209 1057 L C 2.102 178.978 176.870 0.010 0.000 1.094 1057 L CA 2.919 57.748 54.840 -0.017 0.000 0.763 1057 L CB -0.886 41.165 42.059 -0.014 0.000 0.908 1057 L HN 0.415 8.416 8.230 -0.039 0.206 0.437 1058 A N -0.278 122.563 122.820 0.034 0.000 1.858 1058 A HA -0.367 3.994 4.320 0.067 0.000 0.216 1058 A C 1.849 179.516 177.584 0.138 0.000 1.190 1058 A CA 3.141 55.230 52.037 0.087 0.000 0.617 1058 A CB -0.807 18.260 19.000 0.111 0.000 0.827 1058 A HN -0.018 8.022 8.150 0.023 0.124 0.443 1059 V N -0.886 119.102 119.914 0.123 0.000 2.379 1059 V HA -0.286 3.954 4.120 0.199 0.000 0.245 1059 V C 1.784 177.839 176.094 -0.066 0.000 1.044 1059 V CA 3.044 65.334 62.300 -0.016 0.000 1.036 1059 V CB -0.213 31.396 31.823 -0.357 0.000 0.664 1059 V HN -0.208 8.037 8.190 0.091 0.000 0.453 1060 V N 0.211 120.092 119.914 -0.054 0.000 2.392 1060 V HA -0.463 3.624 4.120 -0.055 0.000 0.249 1060 V C 2.029 178.120 176.094 -0.005 0.000 1.059 1060 V CA 4.721 66.997 62.300 -0.040 0.000 1.051 1060 V CB -0.733 31.067 31.823 -0.039 0.000 0.658 1060 V HN 0.749 8.789 8.190 -0.052 0.119 0.455 1061 G N -2.167 106.644 108.800 0.017 0.000 2.403 1061 G HA2 -0.191 3.784 3.960 0.025 0.000 0.216 1061 G HA3 -0.191 3.821 3.960 0.036 -0.030 0.216 1061 G C 0.991 175.921 174.900 0.049 0.000 1.154 1061 G CA 2.438 47.558 45.100 0.032 0.000 0.784 1061 G HN 0.554 8.643 8.290 0.021 0.214 0.538 1062 T N 4.786 119.387 114.554 0.078 0.000 2.788 1062 T HA -0.349 4.060 4.350 0.099 0.000 0.268 1062 T C 1.295 176.037 174.700 0.070 0.000 1.044 1062 T CA 4.324 66.489 62.100 0.109 0.000 1.139 1062 T CB -0.493 68.514 68.868 0.232 0.000 0.867 1062 T HN -0.284 7.912 8.240 0.087 0.095 0.454 1063 A N -0.117 122.724 122.820 0.035 0.000 1.903 1063 A HA -0.107 4.230 4.320 0.029 0.000 0.213 1063 A C 1.227 178.821 177.584 0.017 0.000 1.185 1063 A CA 1.930 53.978 52.037 0.019 0.000 0.628 1063 A CB -0.113 18.884 19.000 -0.004 0.000 0.830 1063 A HN -0.235 7.918 8.150 0.018 0.008 0.446 1064 E N -1.320 118.890 120.200 0.017 0.000 2.070 1064 E HA -0.362 3.999 4.350 0.018 0.000 0.197 1064 E C 2.553 179.170 176.600 0.029 0.000 1.004 1064 E CA 3.079 59.491 56.400 0.020 0.000 0.805 1064 E CB -0.058 29.652 29.700 0.017 0.000 0.744 1064 E HN 0.148 8.398 8.360 0.013 0.118 0.451 1065 A N -1.817 121.022 122.820 0.033 0.000 2.067 1065 A HA -0.031 4.312 4.320 0.038 0.000 0.217 1065 A C 1.378 178.978 177.584 0.026 0.000 1.156 1065 A CA 1.749 53.806 52.037 0.035 0.000 0.683 1065 A CB -0.459 18.564 19.000 0.039 0.000 0.808 1065 A HN 0.393 8.444 8.150 0.035 0.120 0.455 1066 S N -2.286 113.428 115.700 0.023 0.000 2.500 1066 S HA -0.197 4.283 4.470 0.017 0.000 0.239 1066 S C -0.542 174.054 174.600 -0.008 0.000 0.989 1066 S CA 0.366 58.574 58.200 0.012 0.000 0.951 1066 S CB -0.042 63.167 63.200 0.015 0.000 0.759 1066 S HN -0.034 8.127 8.310 0.028 0.166 0.523 1067 S N -2.641 113.058 115.700 -0.003 0.000 3.162 1067 S HA -0.258 4.215 4.470 0.006 0.000 0.837 1067 S C -1.627 172.953 174.600 -0.033 0.000 1.008 1067 S CA 0.526 58.718 58.200 -0.013 0.000 1.262 1067 S CB -0.355 62.827 63.200 -0.029 0.000 0.884 1067 S HN -0.635 7.503 8.310 0.010 0.179 0.257 1068 E N 0.784 120.972 120.200 -0.020 0.000 1.088 1068 E HA -0.097 4.199 4.350 -0.091 0.000 0.204 1068 E C -1.778 174.843 176.600 0.034 0.000 0.982 1068 E CA 0.339 56.721 56.400 -0.030 0.000 0.845 1068 E CB 0.518 30.204 29.700 -0.024 0.000 4.909 1068 E HN 0.508 8.865 8.360 -0.005 0.000 0.575 1069 H N 0.566 119.616 119.070 -0.033 0.000 2.637 1069 H HA 0.453 4.996 4.556 -0.022 0.000 0.363 1069 H C -1.673 173.643 175.328 -0.019 0.000 1.131 1069 H CA -2.538 53.498 56.048 -0.020 0.000 1.183 1069 H CB 1.885 31.642 29.762 -0.008 0.000 1.637 1069 H HN -0.300 8.050 8.280 0.117 0.000 0.531 1070 P HA 0.066 4.454 4.420 -0.054 0.000 0.261 1070 P C -1.594 175.725 177.300 0.032 0.000 1.650 1070 P CA 0.391 63.429 63.100 -0.104 0.000 0.846 1070 P CB -0.936 30.661 31.700 -0.172 0.000 1.758 1071 L N -3.203 118.118 121.223 0.163 0.000 1.914 1071 L HA 0.033 4.419 4.340 0.077 0.000 0.219 1071 L C 0.760 177.710 176.870 0.133 0.000 1.231 1071 L CA 1.856 56.789 54.840 0.155 0.000 1.377 1071 L CB 0.212 42.379 42.059 0.179 0.000 2.633 1071 L HN 0.191 8.397 8.230 0.180 0.132 0.500 1072 G N 0.610 109.523 108.800 0.189 0.000 2.442 1072 G HA2 -0.355 3.595 3.960 -0.017 0.000 0.219 1072 G HA3 -0.355 3.619 3.960 0.023 0.000 0.219 1072 G C 0.666 175.604 174.900 0.063 0.000 1.141 1072 G CA 2.645 47.774 45.100 0.049 0.000 0.763 1072 G HN 0.233 8.776 8.290 0.422 0.000 0.554 1073 V N 2.206 122.168 119.914 0.080 0.000 2.295 1073 V HA -0.416 3.970 4.120 0.051 -0.235 0.246 1073 V C 1.347 177.479 176.094 0.063 0.000 1.049 1073 V CA 3.298 65.632 62.300 0.058 0.000 1.024 1073 V CB -0.170 31.679 31.823 0.044 0.000 0.648 1073 V HN -0.799 7.445 8.190 0.109 0.012 0.447 1074 A N -1.315 121.543 122.820 0.062 0.000 1.969 1074 A HA -0.277 4.088 4.320 0.074 0.000 0.218 1074 A C 2.283 179.931 177.584 0.107 0.000 1.169 1074 A CA 3.179 55.257 52.037 0.068 0.000 0.635 1074 A CB -0.992 18.029 19.000 0.034 0.000 0.810 1074 A HN 0.128 8.241 8.150 0.061 0.073 0.445 1075 V N -0.287 119.678 119.914 0.085 0.000 2.261 1075 V HA -0.468 3.729 4.120 0.128 0.000 0.246 1075 V C 2.351 178.552 176.094 0.180 0.000 1.047 1075 V CA 4.698 67.070 62.300 0.120 0.000 1.015 1075 V CB -0.958 30.896 31.823 0.052 0.000 0.642 1075 V HN 0.595 8.607 8.190 0.064 0.216 0.446 1076 T N 2.013 116.628 114.554 0.103 0.000 2.701 1076 T HA -0.327 4.065 4.350 0.069 0.000 0.263 1076 T C 2.032 176.778 174.700 0.077 0.000 1.040 1076 T CA 4.894 67.039 62.100 0.075 0.000 1.147 1076 T CB -0.299 68.597 68.868 0.047 0.000 0.865 1076 T HN 0.339 8.514 8.240 0.077 0.111 0.426 1077 K N 1.282 121.733 120.400 0.086 0.000 2.103 1077 K HA -0.337 4.011 4.320 0.048 0.000 0.207 1077 K C 2.071 178.727 176.600 0.093 0.000 1.048 1077 K CA 2.893 59.224 56.287 0.074 0.000 0.930 1077 K CB -0.403 32.139 32.500 0.070 0.000 0.716 1077 K HN 0.352 8.542 8.250 0.085 0.111 0.444 1078 Y N 0.774 121.079 120.300 0.008 0.000 2.133 1078 Y HA -0.267 4.287 4.550 0.007 0.000 0.287 1078 Y C 1.989 177.892 175.900 0.005 0.000 1.134 1078 Y CA 3.185 61.289 58.100 0.007 0.000 1.133 1078 Y CB -0.181 38.283 38.460 0.006 0.000 0.987 1078 Y HN 0.046 8.271 8.280 0.254 0.207 0.502 1079 C N -2.167 117.032 119.300 -0.169 0.000 2.422 1079 C HA -0.510 3.619 4.460 -0.551 0.000 0.279 1079 C C 1.992 176.870 174.990 -0.187 0.000 1.305 1079 C CA 3.364 62.222 59.018 -0.266 0.000 1.757 1079 C CB 0.344 28.056 27.740 -0.046 0.000 1.962 1079 C HN 0.392 8.601 8.230 0.142 0.106 0.499 1080 K N 1.240 121.585 120.400 -0.092 0.000 2.026 1080 K HA -0.340 3.949 4.320 -0.051 0.000 0.208 1080 K C 2.191 178.742 176.600 -0.081 0.000 1.048 1080 K CA 3.848 60.100 56.287 -0.057 0.000 0.929 1080 K CB -0.388 32.105 32.500 -0.012 0.000 0.713 1080 K HN 0.252 8.269 8.250 -0.044 0.207 0.439 1081 E N -1.498 118.643 120.200 -0.099 0.000 2.110 1081 E HA -0.317 4.000 4.350 -0.054 0.000 0.193 1081 E C 2.622 179.142 176.600 -0.135 0.000 0.988 1081 E CA 2.826 59.172 56.400 -0.090 0.000 0.804 1081 E CB 0.081 29.746 29.700 -0.058 0.000 0.745 1081 E HN -0.395 7.831 8.360 -0.092 0.079 0.458 1082 E N -1.292 118.762 120.200 -0.243 0.000 2.285 1082 E HA -0.168 4.076 4.350 -0.176 0.000 0.194 1082 E C 1.720 178.233 176.600 -0.146 0.000 0.997 1082 E CA 1.950 58.208 56.400 -0.237 0.000 0.845 1082 E CB -0.016 29.439 29.700 -0.408 0.000 0.782 1082 E HN -0.416 7.639 8.360 -0.332 0.105 0.491 1083 L N -2.334 118.814 121.223 -0.125 0.000 2.341 1083 L HA 0.024 4.321 4.340 -0.072 0.000 0.214 1083 L C 0.939 177.777 176.870 -0.053 0.000 1.115 1083 L CA 0.880 55.674 54.840 -0.077 0.000 0.820 1083 L CB 0.760 42.782 42.059 -0.062 0.000 0.944 1083 L HN -0.254 7.643 8.230 -0.142 0.248 0.452 1084 G N -1.325 107.443 108.800 -0.054 0.000 2.160 1084 G HA2 -0.353 3.586 3.960 -0.035 0.000 0.244 1084 G HA3 -0.353 3.587 3.960 -0.032 0.000 0.244 1084 G C -0.804 174.081 174.900 -0.024 0.000 1.022 1084 G CA 0.438 45.517 45.100 -0.036 0.000 0.741 1084 G HN -0.196 7.913 8.290 -0.069 0.139 0.508 1085 T N -1.338 113.202 114.554 -0.023 0.000 2.937 1085 T HA 0.265 4.610 4.350 -0.008 0.000 0.297 1085 T C -0.689 174.009 174.700 -0.005 0.000 0.991 1085 T CA -1.459 60.635 62.100 -0.011 0.000 0.990 1085 T CB 2.033 70.897 68.868 -0.008 0.000 0.991 1085 T HN -0.638 7.563 8.240 -0.031 0.021 0.440 1086 E N 4.520 124.721 120.200 0.001 0.000 2.335 1086 E HA 0.082 4.437 4.350 0.008 0.000 0.191 1086 E C -0.424 176.186 176.600 0.015 0.000 1.077 1086 E CA -1.216 55.188 56.400 0.007 0.000 1.010 1086 E CB -0.928 28.776 29.700 0.006 0.000 1.141 1086 E HN 0.326 8.685 8.360 -0.001 0.000 0.452 1087 T N 2.760 117.325 114.554 0.018 0.000 2.902 1087 T HA -0.308 4.053 4.350 0.018 0.000 0.317 1087 T C -1.595 173.130 174.700 0.042 0.000 1.064 1087 T CA 2.224 64.341 62.100 0.028 0.000 1.130 1087 T CB 0.447 69.338 68.868 0.038 0.000 1.073 1087 T HN -0.206 7.931 8.240 0.013 0.110 0.524 1088 L N 1.866 123.114 121.223 0.042 0.000 4.490 1088 L HA 0.115 4.511 4.340 0.093 0.000 0.260 1088 L C -1.547 175.344 176.870 0.035 0.000 1.063 1088 L CA 1.385 56.259 54.840 0.057 0.000 1.242 1088 L CB 1.451 43.538 42.059 0.047 0.000 1.990 1088 L HN 0.168 8.414 8.230 0.026 0.000 0.614 1089 G N 1.915 110.743 108.800 0.046 0.000 4.783 1089 G HA2 -0.159 3.812 3.960 0.018 0.000 0.225 1089 G HA3 -0.159 3.772 3.960 -0.049 0.000 0.225 1089 G C -1.946 172.937 174.900 -0.029 0.000 1.572 1089 G CA 0.410 45.507 45.100 -0.005 0.000 1.037 1089 G HN 0.091 8.444 8.290 0.105 0.000 0.487 1090 Y N -1.042 119.283 120.300 0.040 0.000 2.509 1090 Y HA 0.246 4.826 4.550 0.049 0.000 0.341 1090 Y C -1.213 174.714 175.900 0.045 0.000 1.038 1090 Y CA -1.654 56.476 58.100 0.050 0.000 1.089 1090 Y CB 3.410 41.910 38.460 0.067 0.000 1.241 1090 Y HN -0.742 7.668 8.280 0.216 0.000 0.468 1091 C N 3.066 122.574 119.300 0.346 0.000 2.251 1091 C HA 0.260 4.807 4.460 0.146 0.000 0.323 1091 C C -1.097 173.981 174.990 0.146 0.000 1.241 1091 C CA -1.571 57.557 59.018 0.184 0.000 1.601 1091 C CB 0.674 28.493 27.740 0.131 0.000 2.251 1091 C HN 0.538 8.973 8.230 0.516 0.104 0.488 1092 T N 8.246 122.866 114.554 0.110 0.000 2.881 1092 T HA 0.699 5.296 4.350 0.063 -0.209 0.278 1092 T C -0.915 173.855 174.700 0.117 0.000 0.982 1092 T CA -0.413 61.740 62.100 0.088 0.000 0.989 1092 T CB 1.492 70.403 68.868 0.072 0.000 1.058 1092 T HN 0.282 8.587 8.240 0.109 0.000 0.529 1093 D N 0.749 121.232 120.400 0.138 0.000 2.634 1093 D HA 0.315 5.084 4.640 0.215 0.000 0.236 1093 D C -0.951 175.456 176.300 0.179 0.000 1.323 1093 D CA -0.387 53.708 54.000 0.159 0.000 0.884 1093 D CB 2.302 43.150 40.800 0.080 0.000 1.496 1093 D HN 0.057 8.501 8.370 0.123 0.000 0.525 1094 F N 1.307 121.267 119.950 0.018 0.000 2.435 1094 F HA 0.521 5.181 4.527 0.022 -0.120 0.316 1094 F C -1.130 174.679 175.800 0.014 0.000 1.220 1094 F CA -0.754 57.257 58.000 0.018 0.000 1.241 1094 F CB 1.875 40.885 39.000 0.017 0.000 1.234 1094 F HN -0.204 8.498 8.300 0.669 0.000 0.569 1095 Q N -2.635 116.929 119.800 -0.393 0.000 2.686 1095 Q HA 0.129 3.934 4.340 -0.891 0.000 0.266 1095 Q C -2.991 172.882 176.000 -0.212 0.000 0.965 1095 Q CA -0.947 54.558 55.803 -0.496 0.000 0.894 1095 Q CB 3.136 31.689 28.738 -0.309 0.000 1.583 1095 Q HN 0.677 8.928 8.270 -0.033 0.000 0.405 1096 A N 2.803 125.501 122.820 -0.203 0.000 2.288 1096 A HA 0.305 4.576 4.320 -0.081 0.000 0.320 1096 A C -1.203 176.304 177.584 -0.128 0.000 1.217 1096 A CA -1.101 50.868 52.037 -0.113 0.000 0.840 1096 A CB 1.156 20.113 19.000 -0.071 0.000 1.179 1096 A HN 0.501 8.487 8.150 -0.274 0.000 0.504 1097 V N 2.870 122.696 119.914 -0.147 0.000 2.459 1097 V HA 0.438 4.480 4.120 -0.131 0.000 0.295 1097 V C -1.939 174.028 176.094 -0.211 0.000 1.029 1097 V CA -3.826 58.374 62.300 -0.166 0.000 0.874 1097 V CB 1.764 33.488 31.823 -0.165 0.000 0.985 1097 V HN 0.411 8.506 8.190 -0.158 0.000 0.438 1098 P HA 0.111 4.438 4.420 -0.153 0.000 0.278 1098 P C 0.336 177.523 177.300 -0.188 0.000 1.238 1098 P CA 0.018 63.027 63.100 -0.152 0.000 0.794 1098 P CB 0.352 31.994 31.700 -0.098 0.000 0.955 1099 G N 2.142 110.833 108.800 -0.181 0.000 2.283 1099 G HA2 -0.267 3.612 3.960 -0.136 0.000 0.280 1099 G HA3 -0.267 3.623 3.960 -0.117 0.000 0.280 1099 G C -0.586 174.126 174.900 -0.314 0.000 1.029 1099 G CA 0.793 45.790 45.100 -0.173 0.000 0.840 1099 G HN 0.428 8.626 8.290 -0.154 0.000 0.505 1100 C N -2.461 116.494 119.300 -0.575 0.000 3.246 1100 C HA 0.063 3.625 4.460 -1.497 0.000 0.356 1100 C C -1.136 172.809 174.990 -1.741 0.000 2.005 1100 C CA 0.116 58.305 59.018 -1.382 0.000 1.822 1100 C CB 2.916 29.949 27.740 -1.179 0.000 2.052 1100 C HN -0.458 7.468 8.230 -0.471 0.021 0.597 1101 G N -1.080 107.109 108.800 -1.018 0.000 2.480 1101 G HA2 -0.001 3.722 3.960 -0.395 0.000 0.109 1101 G HA3 -0.001 3.467 3.960 -0.819 0.000 0.109 1101 G C -3.040 171.676 174.900 -0.306 0.000 1.172 1101 G CA 0.221 44.937 45.100 -0.641 0.000 1.091 1101 G HN -0.059 7.799 8.290 -0.720 0.000 0.464 1102 I N 0.121 120.624 120.570 -0.111 0.000 2.797 1102 I HA 0.579 4.730 4.170 -0.031 0.000 0.307 1102 I C -0.711 175.467 176.117 0.102 0.000 1.033 1102 I CA -1.951 59.357 61.300 0.013 0.000 1.071 1102 I CB 3.131 41.173 38.000 0.070 0.000 1.255 1102 I HN 0.138 8.323 8.210 -0.043 0.000 0.445 1103 G N 0.450 109.302 108.800 0.086 0.000 2.677 1103 G HA2 0.829 5.009 3.960 0.146 0.000 0.291 1103 G HA3 0.829 4.850 3.960 0.102 0.000 0.291 1103 G C -3.029 171.928 174.900 0.095 0.000 1.435 1103 G CA -0.431 44.735 45.100 0.110 0.000 0.826 1103 G HN 0.491 8.815 8.290 0.057 0.000 0.491 1104 C N -4.451 114.908 119.300 0.098 0.000 3.307 1104 C HA 0.827 5.536 4.460 0.093 -0.193 0.333 1104 C C -2.356 172.681 174.990 0.079 0.000 1.291 1104 C CA -2.346 56.735 59.018 0.105 0.000 1.273 1104 C CB 3.763 31.593 27.740 0.150 0.000 1.580 1104 C HN 0.607 8.896 8.230 0.098 0.000 0.481 1105 K N 0.378 120.822 120.400 0.072 0.000 2.385 1105 K HA 0.903 5.398 4.320 0.063 -0.136 0.248 1105 K C -2.041 174.584 176.600 0.041 0.000 0.955 1105 K CA -0.989 55.332 56.287 0.057 0.000 0.816 1105 K CB 4.296 36.824 32.500 0.046 0.000 1.250 1105 K HN 0.216 8.384 8.250 0.086 0.133 0.434 1106 V N 1.953 121.878 119.914 0.019 0.000 2.668 1106 V HA 0.923 5.264 4.120 0.015 -0.212 0.304 1106 V C -2.543 173.562 176.094 0.017 0.000 1.071 1106 V CA -2.001 60.270 62.300 -0.048 0.000 0.894 1106 V CB 3.935 35.596 31.823 -0.269 0.000 1.008 1106 V HN 0.960 9.071 8.190 0.049 0.109 0.425 1107 S N 8.042 123.855 115.700 0.190 0.000 2.533 1107 S HA 0.597 5.286 4.470 0.365 0.000 0.271 1107 S C -1.652 173.146 174.600 0.330 0.000 1.143 1107 S CA -0.410 57.946 58.200 0.260 0.000 0.891 1107 S CB 2.838 66.057 63.200 0.031 0.000 1.105 1107 S HN 0.833 9.161 8.310 0.207 0.106 0.468 1108 N N 3.943 122.751 118.700 0.180 0.000 2.468 1108 N HA -0.121 4.607 4.740 -0.020 0.000 0.321 1108 N C 0.185 175.550 175.510 -0.243 0.000 1.384 1108 N CA 1.943 54.961 53.050 -0.052 0.000 2.652 1108 N CB 0.316 38.775 38.487 -0.047 0.000 1.927 1108 N HN 0.482 8.977 8.380 0.192 0.000 1.148 1109 V N 2.155 121.784 119.914 -0.474 0.000 2.527 1109 V HA -0.520 3.326 4.120 -0.457 0.000 0.255 1109 V C 0.744 176.764 176.094 -0.124 0.000 1.081 1109 V CA 3.248 65.332 62.300 -0.359 0.000 1.092 1109 V CB 0.108 31.847 31.823 -0.140 0.000 0.673 1109 V HN 0.190 8.018 8.190 -0.603 0.000 0.470 1110 E N -0.251 119.900 120.200 -0.081 0.000 2.046 1110 E HA -0.312 4.019 4.350 -0.031 0.000 0.190 1110 E C 1.862 178.430 176.600 -0.053 0.000 0.982 1110 E CA 2.926 59.295 56.400 -0.052 0.000 0.800 1110 E CB -0.902 28.764 29.700 -0.057 0.000 0.756 1110 E HN 0.391 8.669 8.360 -0.078 0.036 0.449 1111 G N -0.667 108.095 108.800 -0.063 0.000 2.422 1111 G HA2 -0.230 3.700 3.960 -0.049 0.000 0.218 1111 G HA3 -0.230 3.699 3.960 -0.051 0.000 0.218 1111 G C 1.518 176.391 174.900 -0.045 0.000 1.146 1111 G CA 1.985 47.053 45.100 -0.053 0.000 0.769 1111 G HN -0.068 8.087 8.290 -0.072 0.092 0.547 1112 I N -0.205 120.324 120.570 -0.068 0.000 2.353 1112 I HA -0.299 3.853 4.170 -0.030 0.000 0.248 1112 I C 1.295 177.400 176.117 -0.020 0.000 1.119 1112 I CA 1.621 62.889 61.300 -0.053 0.000 1.417 1112 I CB -0.810 37.130 38.000 -0.099 0.000 1.078 1112 I HN -0.319 7.817 8.210 -0.103 0.013 0.421 1113 L N -3.076 118.132 121.223 -0.024 0.000 2.083 1113 L HA -0.206 4.138 4.340 0.006 0.000 0.209 1113 L C 0.840 177.728 176.870 0.029 0.000 1.083 1113 L CA 2.076 56.917 54.840 0.002 0.000 0.752 1113 L CB 0.094 42.154 42.059 0.002 0.000 0.899 1113 L HN -0.550 7.565 8.230 -0.046 0.088 0.433 1114 A N -3.403 119.426 122.820 0.015 0.000 2.293 1114 A HA 0.242 4.616 4.320 0.091 0.000 0.312 1114 A C -1.079 176.502 177.584 -0.004 0.000 1.309 1114 A CA -1.689 50.362 52.037 0.022 0.000 0.839 1114 A CB 0.808 19.790 19.000 -0.029 0.000 1.155 1114 A HN -0.430 7.624 8.150 -0.009 0.090 0.501 1115 H N 4.298 123.357 119.070 -0.017 0.000 2.942 1115 H HA -0.196 4.348 4.556 -0.020 0.000 0.384 1115 H C -0.495 174.824 175.328 -0.014 0.000 1.438 1115 H CA 0.401 56.439 56.048 -0.016 0.000 1.453 1115 H CB -0.098 29.656 29.762 -0.013 0.000 1.451 1115 H HN 0.302 8.798 8.280 0.359 0.000 0.604 1116 S N -0.912 114.738 115.700 -0.082 0.000 2.719 1116 S HA 0.073 4.431 4.470 -0.186 0.000 0.285 1116 S C -0.456 174.067 174.600 -0.129 0.000 1.137 1116 S CA -0.673 57.448 58.200 -0.131 0.000 1.012 1116 S CB 1.373 64.552 63.200 -0.035 0.000 1.134 1116 S HN 0.017 8.383 8.310 0.094 0.000 0.544 1117 E N 0.684 120.835 120.200 -0.081 0.000 3.909 1117 E HA 0.096 4.457 4.350 0.018 0.000 0.236 1117 E C -1.724 174.869 176.600 -0.011 0.000 1.222 1117 E CA -0.067 56.313 56.400 -0.034 0.000 1.205 1117 E CB 0.445 30.107 29.700 -0.063 0.000 1.249 1117 E HN 0.194 8.510 8.360 -0.073 0.000 0.411 1118 R N -0.349 120.153 120.500 0.004 0.000 2.873 1118 R HA -0.151 4.193 4.340 0.007 0.000 0.281 1118 R C -2.174 174.122 176.300 -0.005 0.000 0.933 1118 R CA -0.054 56.048 56.100 0.003 0.000 0.712 1118 R CB -1.837 28.467 30.300 0.006 0.000 1.780 1118 R HN 0.123 8.402 8.270 0.015 0.000 0.488 1119 P HA 0.029 4.441 4.420 -0.014 0.000 0.241 1119 P C -1.564 175.733 177.300 -0.005 0.000 1.760 1119 P CA -0.239 62.855 63.100 -0.010 0.000 1.081 1119 P CB -1.242 30.451 31.700 -0.011 0.000 1.975 1120 L N 2.657 123.877 121.223 -0.005 0.000 2.529 1120 L HA 0.214 4.553 4.340 -0.002 0.000 0.258 1120 L C -0.193 176.674 176.870 -0.005 0.000 1.032 1120 L CA 0.334 55.172 54.840 -0.003 0.000 0.899 1120 L CB 0.921 42.979 42.059 -0.001 0.000 1.174 1120 L HN -0.069 8.110 8.230 -0.006 0.048 0.458 1121 S N 3.717 119.414 115.700 -0.005 0.000 2.707 1121 S HA 0.136 4.601 4.470 -0.008 0.000 0.276 1121 S C -0.458 174.138 174.600 -0.008 0.000 1.179 1121 S CA -0.015 58.181 58.200 -0.006 0.000 0.992 1121 S CB 0.914 64.112 63.200 -0.004 0.000 1.030 1121 S HN 0.007 8.314 8.310 -0.003 0.000 0.554 1122 A N 1.807 124.620 122.820 -0.013 0.000 3.082 1122 A HA 0.219 4.530 4.320 -0.015 0.000 0.328 1122 A C -2.382 175.183 177.584 -0.032 0.000 1.089 1122 A CA -1.269 50.757 52.037 -0.019 0.000 0.802 1122 A CB 0.148 19.136 19.000 -0.021 0.000 1.138 1122 A HN 0.082 8.223 8.150 -0.014 0.000 0.474 1123 P HA 0.101 4.488 4.420 -0.055 0.000 0.276 1123 P C -1.520 175.738 177.300 -0.070 0.000 1.264 1123 P CA -0.057 63.023 63.100 -0.035 0.000 0.769 1123 P CB -0.278 31.431 31.700 0.016 0.000 0.840 1124 A N 4.654 127.371 122.820 -0.171 0.000 2.515 1124 A HA 0.006 4.219 4.320 -0.178 0.000 0.292 1124 A C -1.874 175.513 177.584 -0.327 0.000 1.065 1124 A CA -0.132 51.785 52.037 -0.200 0.000 0.641 1124 A CB 1.237 20.181 19.000 -0.092 0.000 1.306 1124 A HN -0.285 7.742 8.150 -0.205 0.000 0.441 1125 S N -1.214 114.337 115.700 -0.248 0.000 3.393 1125 S HA -0.185 4.227 4.470 -0.097 0.000 0.655 1125 S C -0.568 173.842 174.600 -0.316 0.000 0.634 1125 S CA 0.412 58.496 58.200 -0.195 0.000 1.428 1125 S CB 0.038 63.159 63.200 -0.132 0.000 0.998 1125 S HN 0.020 8.237 8.310 -0.154 0.000 0.915 1126 H N 2.477 121.547 119.070 -0.001 0.000 2.573 1126 H HA 0.211 4.766 4.556 -0.001 0.000 0.236 1126 H C 0.856 176.184 175.328 -0.001 0.000 0.907 1126 H CA 0.767 56.814 56.048 -0.001 0.000 1.058 1126 H CB 0.657 30.419 29.762 -0.001 0.000 1.417 1126 H HN 0.097 8.394 8.280 0.029 0.000 0.425 1127 L N 0.599 121.893 121.223 0.118 0.000 2.349 1127 L HA -0.266 4.113 4.340 0.065 0.000 0.220 1127 L C -0.544 176.351 176.870 0.042 0.000 1.130 1127 L CA 0.459 55.338 54.840 0.065 0.000 0.791 1127 L CB -0.041 42.045 42.059 0.045 0.000 0.918 1127 L HN -0.327 7.974 8.230 0.118 0.000 0.444 1128 N N -2.450 116.270 118.700 0.034 0.000 2.167 1128 N HA -0.289 4.457 4.740 0.009 0.000 0.258 1128 N C 1.169 176.692 175.510 0.021 0.000 1.241 1128 N CA 1.004 54.064 53.050 0.017 0.000 0.829 1128 N CB 0.355 38.845 38.487 0.005 0.000 1.072 1128 N HN -0.432 7.908 8.380 0.034 0.060 0.466 1129 E N 3.931 124.139 120.200 0.013 0.000 2.033 1129 E HA -0.285 4.073 4.350 0.014 0.000 0.199 1129 E C -0.350 176.259 176.600 0.015 0.000 1.011 1129 E CA 2.438 58.845 56.400 0.013 0.000 0.815 1129 E CB 0.166 29.871 29.700 0.008 0.000 0.755 1129 E HN 0.408 8.773 8.360 0.009 0.000 0.451 1130 A N -2.086 120.741 122.820 0.013 0.000 3.409 1130 A HA 0.213 4.544 4.320 0.019 0.000 0.282 1130 A C -1.188 176.403 177.584 0.012 0.000 1.064 1130 A CA -0.366 51.680 52.037 0.014 0.000 0.889 1130 A CB -0.197 18.809 19.000 0.010 0.000 1.251 1130 A HN -0.330 7.956 8.150 0.009 -0.131 0.538 1131 G N 1.362 110.173 108.800 0.017 0.000 2.618 1131 G HA2 -0.010 3.951 3.960 0.001 0.000 0.222 1131 G HA3 -0.010 3.952 3.960 0.003 0.000 0.222 1131 G C 0.004 174.915 174.900 0.018 0.000 1.520 1131 G CA -0.295 44.811 45.100 0.009 0.000 0.930 1131 G HN 0.236 8.541 8.290 0.026 0.000 0.547 1132 S N -1.136 114.588 115.700 0.039 0.000 3.576 1132 S HA -0.172 4.351 4.470 0.088 0.000 0.658 1132 S C -0.594 174.025 174.600 0.031 0.000 0.560 1132 S CA 0.462 58.693 58.200 0.051 0.000 1.438 1132 S CB -0.036 63.185 63.200 0.036 0.000 0.937 1132 S HN -0.019 8.323 8.310 0.053 0.000 0.998 1133 L N 6.443 127.689 121.223 0.039 0.000 2.349 1133 L HA 0.323 4.663 4.340 0.000 0.000 0.275 1133 L C -0.945 175.941 176.870 0.027 0.000 1.115 1133 L CA -1.831 53.017 54.840 0.015 0.000 0.820 1133 L CB 0.995 43.047 42.059 -0.011 0.000 1.135 1133 L HN -0.073 8.202 8.230 0.076 0.000 0.445 1134 P HA 0.116 4.662 4.420 0.015 -0.117 0.241 1134 P C -1.727 175.580 177.300 0.012 0.000 1.760 1134 P CA -0.489 62.618 63.100 0.012 0.000 1.081 1134 P CB -1.536 30.167 31.700 0.005 0.000 1.975 1135 A N 4.540 127.373 122.820 0.021 0.000 2.586 1135 A HA 0.337 4.664 4.320 0.012 0.000 0.320 1135 A C -1.067 176.527 177.584 0.018 0.000 1.281 1135 A CA -0.402 51.647 52.037 0.020 0.000 0.775 1135 A CB 0.163 19.181 19.000 0.031 0.000 1.122 1135 A HN -0.081 8.045 8.150 0.030 0.042 0.470 1136 E N 4.000 124.206 120.200 0.009 0.000 2.415 1136 E HA 0.044 4.398 4.350 0.006 0.000 0.271 1136 E C -1.370 175.230 176.600 0.000 0.000 1.094 1136 E CA -0.881 55.522 56.400 0.006 0.000 0.881 1136 E CB 1.523 31.227 29.700 0.006 0.000 1.581 1136 E HN -0.144 8.220 8.360 0.006 0.000 0.460 1137 K N -0.219 120.180 120.400 -0.002 0.000 7.076 1137 K HA -0.181 4.136 4.320 -0.005 0.000 0.747 1137 K C -2.199 174.397 176.600 -0.007 0.000 2.505 1137 K CA 0.505 56.789 56.287 -0.005 0.000 1.814 1137 K CB 0.042 32.539 32.500 -0.005 0.000 2.142 1137 K HN 0.282 8.532 8.250 -0.001 0.000 0.274 1138 D N 0.463 120.858 120.400 -0.008 0.000 2.861 1138 D HA 0.085 4.717 4.640 -0.013 0.000 0.216 1138 D C -0.860 175.432 176.300 -0.013 0.000 1.323 1138 D CA -0.205 53.789 54.000 -0.011 0.000 0.917 1138 D CB 0.963 41.757 40.800 -0.009 0.000 1.582 1138 D HN -0.242 8.124 8.370 -0.008 0.000 0.576 1139 A N 5.318 128.128 122.820 -0.016 0.000 2.508 1139 A HA 0.266 4.577 4.320 -0.015 0.000 0.336 1139 A C -0.468 177.102 177.584 -0.023 0.000 1.360 1139 A CA -0.559 51.467 52.037 -0.018 0.000 0.841 1139 A CB 0.408 19.398 19.000 -0.017 0.000 1.136 1139 A HN 0.270 8.409 8.150 -0.018 0.000 0.489 1140 V N 3.334 123.234 119.914 -0.022 0.000 2.790 1140 V HA -0.189 3.915 4.120 -0.026 0.000 0.304 1140 V C -1.496 174.575 176.094 -0.039 0.000 1.142 1140 V CA -1.374 60.910 62.300 -0.028 0.000 1.282 1140 V CB 0.804 32.612 31.823 -0.026 0.000 0.877 1140 V HN 0.087 8.266 8.190 -0.018 0.000 0.504 1141 P HA 0.102 4.489 4.420 -0.055 0.000 0.289 1141 P C -1.294 175.945 177.300 -0.102 0.000 1.299 1141 P CA -0.799 62.263 63.100 -0.064 0.000 0.766 1141 P CB 1.038 32.703 31.700 -0.059 0.000 1.226 1142 Q N -1.440 118.274 119.800 -0.144 0.000 2.286 1142 Q HA -0.173 4.044 4.340 -0.205 0.000 0.267 1142 Q C -0.902 174.832 176.000 -0.444 0.000 1.028 1142 Q CA 0.654 56.296 55.803 -0.269 0.000 0.901 1142 Q CB 0.272 28.846 28.738 -0.274 0.000 1.183 1142 Q HN 0.227 8.428 8.270 -0.114 0.000 0.392 1143 T N 6.214 120.521 114.554 -0.413 0.000 2.824 1143 T HA 0.216 4.334 4.350 -0.387 0.000 0.282 1143 T C -1.056 173.432 174.700 -0.353 0.000 0.993 1143 T CA -0.623 61.261 62.100 -0.359 0.000 0.967 1143 T CB 1.437 70.226 68.868 -0.132 0.000 0.960 1143 T HN 0.031 8.096 8.240 -0.291 0.000 0.441 1144 F N 4.871 124.834 119.950 0.022 0.000 2.450 1144 F HA 0.288 4.818 4.527 0.004 0.000 0.332 1144 F C -1.335 174.454 175.800 -0.019 0.000 1.093 1144 F CA -1.904 56.092 58.000 -0.008 0.000 1.003 1144 F CB 2.486 41.461 39.000 -0.041 0.000 1.151 1144 F HN 0.592 8.786 8.300 -0.178 0.000 0.474 1145 S N 1.586 117.398 115.700 0.186 0.000 2.478 1145 S HA 0.519 5.174 4.470 0.092 -0.130 0.312 1145 S C -1.519 173.131 174.600 0.083 0.000 1.094 1145 S CA -1.505 56.759 58.200 0.106 0.000 1.081 1145 S CB 1.547 64.798 63.200 0.085 0.000 1.007 1145 S HN 0.387 8.827 8.310 0.217 0.000 0.475 1146 V N 6.890 126.845 119.914 0.069 0.000 2.448 1146 V HA 0.326 4.564 4.120 0.037 -0.096 0.295 1146 V C -1.882 174.262 176.094 0.083 0.000 1.025 1146 V CA -1.404 60.927 62.300 0.052 0.000 0.859 1146 V CB 1.573 33.410 31.823 0.025 0.000 0.988 1146 V HN 1.121 9.244 8.190 0.071 0.110 0.431 1147 L N 7.415 128.693 121.223 0.092 0.000 2.317 1147 L HA 0.398 4.942 4.340 0.194 -0.087 0.281 1147 L C -1.712 175.257 176.870 0.165 0.000 1.024 1147 L CA -0.894 54.050 54.840 0.174 0.000 0.810 1147 L CB 2.412 44.609 42.059 0.230 0.000 1.240 1147 L HN 0.704 8.967 8.230 0.056 0.000 0.427 1148 I N 0.195 120.902 120.570 0.229 0.000 2.828 1148 I HA 1.039 5.453 4.170 0.153 -0.153 0.302 1148 I C -1.882 174.409 176.117 0.290 0.000 1.101 1148 I CA -2.901 58.516 61.300 0.194 0.000 1.031 1148 I CB 4.062 42.135 38.000 0.122 0.000 1.231 1148 I HN 0.418 8.667 8.210 0.255 0.114 0.427 1149 G N 3.675 112.629 108.800 0.257 0.000 2.351 1149 G HA2 -0.043 4.018 3.960 0.168 0.000 0.279 1149 G HA3 -0.043 4.156 3.960 0.398 0.000 0.279 1149 G C -2.870 172.163 174.900 0.222 0.000 1.297 1149 G CA -0.077 45.185 45.100 0.270 0.000 0.886 1149 G HN 0.283 8.682 8.290 0.181 0.000 0.493 1150 N N -0.221 118.611 118.700 0.220 0.000 2.415 1150 N HA 0.027 4.834 4.740 0.112 0.000 0.248 1150 N C 1.636 177.237 175.510 0.152 0.000 1.271 1150 N CA 0.769 53.913 53.050 0.156 0.000 0.913 1150 N CB 0.693 39.262 38.487 0.136 0.000 1.129 1150 N HN 0.196 8.711 8.380 0.225 0.000 0.444 1151 R N 1.685 122.233 120.500 0.080 0.000 2.127 1151 R HA -0.409 3.937 4.340 0.011 0.000 0.238 1151 R C 1.524 177.844 176.300 0.034 0.000 1.134 1151 R CA 4.326 60.446 56.100 0.033 0.000 0.975 1151 R CB -0.321 29.986 30.300 0.012 0.000 0.865 1151 R HN 0.648 8.959 8.270 0.069 0.000 0.447 1152 E N -0.336 119.909 120.200 0.074 0.000 2.110 1152 E HA -0.281 4.094 4.350 0.041 0.000 0.193 1152 E C 1.090 177.782 176.600 0.152 0.000 0.988 1152 E CA 3.389 59.840 56.400 0.084 0.000 0.804 1152 E CB -0.547 29.206 29.700 0.087 0.000 0.745 1152 E HN 0.118 8.510 8.360 0.082 0.017 0.458 1153 W N 0.492 121.793 121.300 0.001 0.000 2.354 1153 W HA -0.339 4.323 4.660 0.002 0.000 0.315 1153 W C 1.760 178.279 176.519 0.001 0.000 1.206 1153 W CA 2.406 59.752 57.345 0.002 0.000 1.290 1153 W CB 0.102 29.566 29.460 0.006 0.000 1.152 1153 W HN -0.717 7.529 8.180 0.305 0.117 0.489 1154 L N -1.650 119.334 121.223 -0.398 0.000 2.046 1154 L HA -0.416 3.336 4.340 -0.980 0.000 0.208 1154 L C 2.708 179.374 176.870 -0.341 0.000 1.077 1154 L CA 3.000 57.505 54.840 -0.558 0.000 0.747 1154 L CB -1.421 40.449 42.059 -0.316 0.000 0.896 1154 L HN -0.548 7.617 8.230 -0.108 0.000 0.432 1155 R N -1.326 119.075 120.500 -0.165 0.000 2.083 1155 R HA -0.352 3.924 4.340 -0.106 0.000 0.237 1155 R C 2.834 179.078 176.300 -0.095 0.000 1.137 1155 R CA 3.548 59.588 56.100 -0.100 0.000 0.951 1155 R CB -0.431 29.845 30.300 -0.040 0.000 0.851 1155 R HN 0.453 8.470 8.270 -0.108 0.189 0.434 1156 R N -2.772 117.694 120.500 -0.056 0.000 2.189 1156 R HA -0.201 4.140 4.340 0.002 0.000 0.218 1156 R C 1.558 177.809 176.300 -0.082 0.000 1.074 1156 R CA 2.206 58.305 56.100 -0.002 0.000 0.991 1156 R CB -0.192 30.189 30.300 0.136 0.000 0.883 1156 R HN 0.198 8.346 8.270 -0.019 0.111 0.457 1157 N N -2.651 115.858 118.700 -0.318 0.000 2.084 1157 N HA -0.207 4.326 4.740 -0.346 0.000 0.190 1157 N C 0.503 175.877 175.510 -0.226 0.000 1.030 1157 N CA 1.682 54.460 53.050 -0.453 0.000 0.849 1157 N CB 0.936 38.896 38.487 -0.879 0.000 1.012 1157 N HN -0.169 7.817 8.380 -0.407 0.151 0.423 1158 G N -1.682 107.000 108.800 -0.198 0.000 3.813 1158 G HA2 0.028 3.936 3.960 -0.087 0.000 0.234 1158 G HA3 0.028 3.921 3.960 -0.112 0.000 0.234 1158 G C -1.834 172.998 174.900 -0.112 0.000 3.831 1158 G CA -0.408 44.619 45.100 -0.122 0.000 0.585 1158 G HN -0.209 7.940 8.290 -0.234 0.000 0.267 1159 L N -0.212 120.947 121.223 -0.107 0.000 2.305 1159 L HA 0.532 4.823 4.340 -0.080 0.000 0.261 1159 L C -1.147 175.687 176.870 -0.060 0.000 1.100 1159 L CA -1.795 52.992 54.840 -0.088 0.000 1.073 1159 L CB 2.214 44.211 42.059 -0.104 0.000 1.656 1159 L HN -0.066 8.008 8.230 -0.108 0.091 0.536 1160 T N -0.376 114.147 114.554 -0.051 0.000 2.864 1160 T HA 0.341 4.671 4.350 -0.034 0.000 0.276 1160 T C -0.864 173.816 174.700 -0.033 0.000 1.006 1160 T CA -1.020 61.058 62.100 -0.037 0.000 0.970 1160 T CB 1.131 69.980 68.868 -0.032 0.000 1.420 1160 T HN -0.038 8.169 8.240 -0.055 0.000 0.601 1161 I N -1.688 118.866 120.570 -0.026 0.000 9.092 1161 I HA -0.376 3.782 4.170 -0.021 0.000 0.126 1161 I C -1.303 174.801 176.117 -0.021 0.000 1.832 1161 I CA 0.352 61.638 61.300 -0.023 0.000 2.088 1161 I CB 0.500 38.484 38.000 -0.026 0.000 3.892 1161 I HN -0.123 8.073 8.210 -0.024 0.000 0.185 1162 S N 1.992 117.681 115.700 -0.018 0.000 2.565 1162 S HA 0.102 4.566 4.470 -0.011 0.000 0.276 1162 S C 1.281 175.875 174.600 -0.011 0.000 1.326 1162 S CA -0.956 57.236 58.200 -0.013 0.000 1.045 1162 S CB 1.068 64.260 63.200 -0.013 0.000 0.918 1162 S HN -0.065 8.233 8.310 -0.020 0.000 0.505 1163 S N 5.791 121.491 115.700 -0.001 0.000 2.383 1163 S HA -0.282 4.194 4.470 0.010 0.000 0.227 1163 S C 1.578 176.182 174.600 0.007 0.000 1.026 1163 S CA 4.015 62.222 58.200 0.011 0.000 0.981 1163 S CB 0.095 63.313 63.200 0.029 0.000 0.818 1163 S HN 0.583 8.894 8.310 0.001 0.000 0.472 1164 D N 0.500 120.900 120.400 0.000 0.000 2.149 1164 D HA -0.134 4.506 4.640 0.001 0.000 0.201 1164 D C 1.850 178.130 176.300 -0.033 0.000 0.972 1164 D CA 3.110 57.106 54.000 -0.007 0.000 0.835 1164 D CB -0.164 40.634 40.800 -0.004 0.000 0.966 1164 D HN -0.642 7.717 8.370 0.001 0.012 0.476 1165 V N -0.164 119.729 119.914 -0.036 0.000 2.261 1165 V HA -0.396 3.677 4.120 -0.079 0.000 0.246 1165 V C 1.989 178.040 176.094 -0.073 0.000 1.047 1165 V CA 4.119 66.383 62.300 -0.059 0.000 1.015 1165 V CB 0.043 31.841 31.823 -0.042 0.000 0.642 1165 V HN -0.918 7.178 8.190 -0.024 0.080 0.446 1166 S N -1.502 114.172 115.700 -0.043 0.000 2.402 1166 S HA -0.310 4.135 4.470 -0.043 0.000 0.229 1166 S C 1.815 176.398 174.600 -0.028 0.000 1.021 1166 S CA 3.463 61.642 58.200 -0.034 0.000 0.974 1166 S CB -0.380 62.810 63.200 -0.017 0.000 0.800 1166 S HN 0.311 8.493 8.310 -0.030 0.110 0.484 1167 D N 2.224 122.613 120.400 -0.018 0.000 2.097 1167 D HA -0.287 4.369 4.640 0.025 0.000 0.195 1167 D C 1.574 177.856 176.300 -0.029 0.000 0.989 1167 D CA 3.231 57.232 54.000 0.001 0.000 0.827 1167 D CB -0.213 40.597 40.800 0.016 0.000 0.966 1167 D HN 0.160 8.312 8.370 -0.017 0.208 0.456 1168 A N -0.724 122.036 122.820 -0.101 0.000 1.933 1168 A HA -0.294 3.969 4.320 -0.095 0.000 0.218 1168 A C 2.088 179.419 177.584 -0.423 0.000 1.175 1168 A CA 2.962 54.846 52.037 -0.256 0.000 0.628 1168 A CB -0.420 18.374 19.000 -0.342 0.000 0.814 1168 A HN 0.322 8.300 8.150 -0.091 0.117 0.444 1169 M N -0.438 119.010 119.600 -0.254 0.000 2.099 1169 M HA -0.349 4.009 4.480 -0.202 0.000 0.262 1169 M C 2.172 178.465 176.300 -0.012 0.000 1.067 1169 M CA 4.092 59.306 55.300 -0.144 0.000 1.124 1169 M CB 0.255 32.806 32.600 -0.082 0.000 1.353 1169 M HN -0.074 8.007 8.290 -0.183 0.099 0.410 1170 T N 2.386 116.941 114.554 0.002 0.000 2.708 1170 T HA -0.405 3.970 4.350 0.042 0.000 0.266 1170 T C 2.158 176.901 174.700 0.072 0.000 1.037 1170 T CA 4.649 66.773 62.100 0.041 0.000 1.146 1170 T CB -0.338 68.555 68.868 0.042 0.000 0.865 1170 T HN 0.195 8.312 8.240 -0.020 0.111 0.435 1171 D N 0.549 120.999 120.400 0.082 0.000 2.117 1171 D HA -0.278 4.415 4.640 0.090 0.000 0.197 1171 D C 1.749 178.157 176.300 0.179 0.000 0.987 1171 D CA 3.819 57.890 54.000 0.119 0.000 0.829 1171 D CB 0.167 41.046 40.800 0.132 0.000 0.961 1171 D HN -0.022 8.270 8.370 0.053 0.109 0.460 1172 H N -1.283 117.798 119.070 0.018 0.000 2.319 1172 H HA -0.318 4.247 4.556 0.014 0.000 0.297 1172 H C 2.805 178.142 175.328 0.015 0.000 1.097 1172 H CA 2.312 58.369 56.048 0.015 0.000 1.285 1172 H CB 0.312 30.081 29.762 0.013 0.000 1.368 1172 H HN 0.051 8.370 8.280 0.263 0.119 0.495 1173 E N -0.550 119.740 120.200 0.149 0.000 2.118 1173 E HA -0.348 4.047 4.350 0.076 0.000 0.195 1173 E C 1.824 178.461 176.600 0.061 0.000 0.992 1173 E CA 3.300 59.750 56.400 0.084 0.000 0.804 1173 E CB -0.144 29.596 29.700 0.065 0.000 0.741 1173 E HN -0.183 8.196 8.360 0.157 0.075 0.458 1174 M N -2.240 117.399 119.600 0.066 0.000 2.539 1174 M HA -0.198 4.513 4.480 0.045 -0.203 0.261 1174 M C 1.012 177.332 176.300 0.033 0.000 1.069 1174 M CA 2.299 57.628 55.300 0.049 0.000 1.081 1174 M CB -0.174 32.458 32.600 0.053 0.000 1.412 1174 M HN -0.764 7.459 8.290 0.083 0.116 0.482 1175 K N -3.036 117.379 120.400 0.026 0.000 2.476 1175 K HA -0.034 4.286 4.320 -0.001 0.000 0.196 1175 K C -0.011 176.590 176.600 0.001 0.000 1.025 1175 K CA 0.262 56.548 56.287 -0.001 0.000 1.138 1175 K CB 0.514 32.990 32.500 -0.040 0.000 0.860 1175 K HN -0.194 7.862 8.250 0.041 0.219 0.515 1176 G N -1.498 107.311 108.800 0.014 0.000 4.032 1176 G HA2 0.243 4.208 3.960 0.008 0.000 0.209 1176 G HA3 0.243 4.211 3.960 0.013 0.000 0.209 1176 G C -1.571 173.340 174.900 0.020 0.000 1.510 1176 G CA 0.968 46.076 45.100 0.013 0.000 0.955 1176 G HN -0.093 8.014 8.290 0.024 0.197 0.583 1177 Q N 0.115 119.932 119.800 0.027 0.000 2.552 1177 Q HA 0.611 4.968 4.340 0.028 0.000 0.289 1177 Q C -1.569 174.453 176.000 0.038 0.000 1.097 1177 Q CA -2.552 53.269 55.803 0.030 0.000 0.812 1177 Q CB 3.547 32.301 28.738 0.027 0.000 1.460 1177 Q HN 0.064 8.263 8.270 0.030 0.089 0.452 1178 T N 2.685 117.264 114.554 0.042 0.000 2.756 1178 T HA 0.224 4.604 4.350 0.051 0.000 0.290 1178 T C -1.861 172.866 174.700 0.046 0.000 0.985 1178 T CA -0.190 61.940 62.100 0.051 0.000 0.955 1178 T CB 1.313 70.219 68.868 0.064 0.000 0.930 1178 T HN 0.141 8.406 8.240 0.040 0.000 0.451 1179 A N 8.162 131.010 122.820 0.046 0.000 2.318 1179 A HA 0.601 4.939 4.320 0.029 0.000 0.324 1179 A C -1.737 175.874 177.584 0.044 0.000 1.170 1179 A CA -1.586 50.474 52.037 0.038 0.000 0.810 1179 A CB 2.280 21.302 19.000 0.036 0.000 1.198 1179 A HN 0.628 8.808 8.150 0.051 0.000 0.484 1180 I N -2.574 118.016 120.570 0.034 0.000 2.534 1180 I HA 0.451 4.658 4.170 0.060 0.000 0.288 1180 I C -2.678 173.457 176.117 0.029 0.000 1.077 1180 I CA -1.588 59.738 61.300 0.043 0.000 1.051 1180 I CB 3.110 41.137 38.000 0.045 0.000 1.234 1180 I HN 0.404 8.626 8.210 0.021 0.000 0.425 1181 L N 4.800 126.049 121.223 0.043 0.000 2.309 1181 L HA 0.293 4.638 4.340 0.008 0.000 0.282 1181 L C -2.187 174.701 176.870 0.030 0.000 1.036 1181 L CA -0.659 54.196 54.840 0.024 0.000 0.806 1181 L CB 3.273 45.340 42.059 0.013 0.000 1.220 1181 L HN 0.542 8.812 8.230 0.067 0.000 0.429 1182 V N 4.957 124.875 119.914 0.007 0.000 2.378 1182 V HA 0.280 4.531 4.120 0.034 -0.111 0.288 1182 V C -2.208 173.877 176.094 -0.015 0.000 1.016 1182 V CA -1.045 61.260 62.300 0.008 0.000 0.840 1182 V CB 2.904 34.727 31.823 0.001 0.000 0.994 1182 V HN 0.265 8.361 8.190 -0.006 0.091 0.431 1183 A N 7.879 130.689 122.820 -0.017 0.000 2.355 1183 A HA 0.922 5.279 4.320 -0.050 -0.067 0.324 1183 A C -2.369 175.197 177.584 -0.029 0.000 1.117 1183 A CA -2.674 49.336 52.037 -0.045 0.000 0.785 1183 A CB 3.793 22.736 19.000 -0.094 0.000 1.254 1183 A HN 1.241 9.293 8.150 0.008 0.103 0.453 1184 I N 1.135 121.681 120.570 -0.040 0.000 2.330 1184 I HA 0.071 4.233 4.170 -0.014 0.000 0.289 1184 I C -0.255 175.850 176.117 -0.020 0.000 1.001 1184 I CA -0.696 60.584 61.300 -0.032 0.000 1.193 1184 I CB 2.130 40.092 38.000 -0.064 0.000 1.345 1184 I HN 0.925 8.997 8.210 -0.051 0.108 0.461 1185 D N 10.560 130.966 120.400 0.010 0.000 2.751 1185 D HA -0.311 4.372 4.640 0.040 -0.019 0.233 1185 D C -0.133 176.158 176.300 -0.015 0.000 1.149 1185 D CA 1.379 55.391 54.000 0.021 0.000 0.682 1185 D CB -0.945 39.878 40.800 0.040 0.000 1.068 1185 D HN 0.912 9.203 8.370 0.025 0.094 0.429 1186 G N -4.904 103.868 108.800 -0.046 0.000 2.155 1186 G HA2 -0.434 3.424 3.960 -0.170 0.000 0.257 1186 G HA3 -0.434 3.462 3.960 -0.106 0.000 0.257 1186 G C -0.980 173.859 174.900 -0.102 0.000 0.983 1186 G CA 0.246 45.280 45.100 -0.109 0.000 0.676 1186 G HN 0.215 8.477 8.290 -0.033 0.008 0.528 1187 V N -0.298 119.573 119.914 -0.073 0.000 2.769 1187 V HA 0.279 4.356 4.120 -0.072 0.000 0.312 1187 V C -0.840 175.214 176.094 -0.067 0.000 1.058 1187 V CA -2.490 59.771 62.300 -0.066 0.000 0.952 1187 V CB 2.644 34.438 31.823 -0.048 0.000 1.019 1187 V HN -0.187 7.755 8.190 -0.058 0.214 0.445 1188 L N 2.991 124.176 121.223 -0.063 0.000 2.485 1188 L HA -0.187 4.115 4.340 -0.062 0.000 0.275 1188 L C -0.697 176.142 176.870 -0.052 0.000 1.207 1188 L CA 2.063 56.868 54.840 -0.057 0.000 0.855 1188 L CB 0.261 42.290 42.059 -0.050 0.000 1.114 1188 L HN 0.335 8.529 8.230 -0.060 0.000 0.485 1189 C N 0.808 120.080 119.300 -0.048 0.000 3.193 1189 C HA 0.163 4.593 4.460 -0.050 0.000 0.411 1189 C C -1.459 173.508 174.990 -0.038 0.000 1.682 1189 C CA -0.998 57.992 59.018 -0.047 0.000 2.131 1189 C CB 3.138 30.847 27.740 -0.051 0.000 2.471 1189 C HN 0.237 8.439 8.230 -0.046 0.000 0.546 1190 G N -1.912 106.868 108.800 -0.034 0.000 2.411 1190 G HA2 0.357 4.430 3.960 -0.026 0.000 0.295 1190 G HA3 0.357 4.301 3.960 -0.027 0.000 0.295 1190 G C -3.243 171.643 174.900 -0.023 0.000 1.542 1190 G CA 0.721 45.804 45.100 -0.027 0.000 0.814 1190 G HN -0.222 8.047 8.290 -0.034 0.000 0.557 1191 M N -2.349 117.239 119.600 -0.020 0.000 2.535 1191 M HA 0.478 5.069 4.480 -0.013 -0.120 0.314 1191 M C -2.061 174.225 176.300 -0.022 0.000 1.153 1191 M CA -0.696 54.594 55.300 -0.016 0.000 0.924 1191 M CB 4.112 36.706 32.600 -0.010 0.000 1.710 1191 M HN 0.477 8.756 8.290 -0.020 0.000 0.451 1192 I N 0.751 121.304 120.570 -0.028 0.000 2.377 1192 I HA 0.292 4.433 4.170 -0.048 0.000 0.293 1192 I C -2.059 174.038 176.117 -0.033 0.000 0.987 1192 I CA -1.162 60.107 61.300 -0.051 0.000 1.185 1192 I CB 3.005 40.944 38.000 -0.102 0.000 1.341 1192 I HN 0.705 8.809 8.210 -0.020 0.094 0.455 1193 A N 7.294 130.097 122.820 -0.029 0.000 2.287 1193 A HA 0.682 5.109 4.320 0.002 -0.105 0.317 1193 A C -1.666 175.915 177.584 -0.005 0.000 1.220 1193 A CA -1.960 50.072 52.037 -0.008 0.000 0.835 1193 A CB 2.101 21.100 19.000 -0.002 0.000 1.180 1193 A HN 0.886 9.015 8.150 -0.034 0.000 0.500 1194 I N 4.356 124.936 120.570 0.017 0.000 2.412 1194 I HA 0.237 4.587 4.170 0.035 -0.159 0.296 1194 I C -2.049 174.091 176.117 0.038 0.000 0.987 1194 I CA -0.554 60.771 61.300 0.042 0.000 1.180 1194 I CB 3.543 41.599 38.000 0.092 0.000 1.340 1194 I HN 0.983 9.107 8.210 0.024 0.101 0.455 1195 A N 6.768 129.609 122.820 0.034 0.000 2.499 1195 A HA 0.377 4.713 4.320 0.027 0.000 0.280 1195 A C -1.952 175.646 177.584 0.024 0.000 1.135 1195 A CA -1.286 50.766 52.037 0.025 0.000 0.744 1195 A CB 1.991 21.001 19.000 0.016 0.000 1.213 1195 A HN -0.185 7.988 8.150 0.037 0.000 0.434 1196 D N 0.000 120.414 120.400 0.024 0.000 6.856 1196 D HA 0.000 4.653 4.640 0.021 0.000 0.175 1196 D CA 0.000 54.011 54.000 0.018 0.000 0.868 1196 D CB 0.000 40.809 40.800 0.015 0.000 0.688 1196 D HN 0.000 8.386 8.370 0.026 0.000 0.683