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 3p0p_1_A DATA FIRST_RESID 952 DATA SEQUENCE GTILIDLSPD DKEFQSVEEE MQSTVREHRD GGHAGGIFNR YNILKIQKVC DATA SEQUENCE NKKLWERYTH RRKEVSEENH NHANERMLFH GSPFVNAIIH KGFDERHAYI DATA SEQUENCE GGMFGAGIYF AENSSKSNQY VYGIGGGTGC PVHKDRSCYI CHRQLLFCRV DATA SEQUENCE TLGKSFLQFS XXXXAHSPPG HHSVTGRPSV NGLALAEYVI YRGEQAYPEY DATA SEQUENCE LITYQIMRPE 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 952 G HA2 0.000 nan 3.960 nan 0.000 0.244 952 G HA3 0.000 3.934 3.960 -0.044 0.000 0.244 952 G C 0.000 174.941 174.900 0.068 0.000 0.946 952 G CA 0.000 45.146 45.100 0.077 0.000 0.502 953 T N 1.444 116.042 114.554 0.073 0.000 2.870 953 T HA 0.500 4.824 4.350 -0.044 0.000 0.300 953 T C 0.217 174.922 174.700 0.008 0.000 0.989 953 T CA 0.638 62.729 62.100 -0.016 0.000 1.139 953 T CB 1.216 69.939 68.868 -0.241 0.000 0.920 953 T HN 0.203 8.443 8.240 -0.000 0.000 0.537 954 I N 3.580 124.144 120.570 -0.009 0.000 2.465 954 I HA 0.387 4.531 4.170 -0.044 0.000 0.291 954 I C -0.680 175.427 176.117 -0.017 0.000 1.014 954 I CA -0.804 60.498 61.300 0.003 0.000 1.093 954 I CB 1.693 39.700 38.000 0.011 0.000 1.267 954 I HN 0.361 8.571 8.210 -0.000 0.000 0.431 955 L N 6.984 128.206 121.223 -0.001 0.000 2.295 955 L HA 0.487 4.801 4.340 -0.044 0.000 0.281 955 L C -0.668 176.216 176.870 0.024 0.000 1.018 955 L CA -0.677 54.164 54.840 0.002 0.000 0.841 955 L CB 0.879 42.943 42.059 0.008 0.000 1.218 955 L HN 0.344 8.574 8.230 -0.000 0.000 0.424 956 I N 2.218 122.803 120.570 0.025 0.000 2.325 956 I HA 0.156 4.300 4.170 -0.044 0.000 0.291 956 I C 0.492 176.650 176.117 0.069 0.000 1.019 956 I CA -0.091 61.233 61.300 0.039 0.000 1.302 956 I CB 1.093 39.110 38.000 0.028 0.000 1.401 956 I HN 0.583 8.793 8.210 -0.000 0.000 0.485 957 D N 6.880 127.324 120.400 0.074 0.000 2.383 957 D HA 0.196 4.810 4.640 -0.044 0.000 0.252 957 D C -0.252 176.122 176.300 0.122 0.000 1.166 957 D CA -0.074 53.987 54.000 0.102 0.000 0.879 957 D CB 1.245 42.094 40.800 0.082 0.000 1.164 957 D HN 0.331 8.701 8.370 -0.000 0.000 0.462 958 L N 2.559 123.898 121.223 0.192 0.000 2.290 958 L HA 0.080 4.394 4.340 -0.044 0.000 0.284 958 L C 0.967 177.962 176.870 0.208 0.000 1.078 958 L CA -0.338 54.642 54.840 0.233 0.000 0.815 958 L CB 1.429 43.684 42.059 0.327 0.000 1.162 958 L HN 0.282 8.512 8.230 -0.000 0.000 0.435 959 S N 5.381 121.118 115.700 0.062 0.000 2.549 959 S HA 0.153 4.597 4.470 -0.044 0.000 0.286 959 S C -1.252 173.165 174.600 -0.305 0.000 1.314 959 S CA -1.061 57.084 58.200 -0.092 0.000 1.062 959 S CB 0.730 63.896 63.200 -0.057 0.000 0.865 959 S HN 0.475 8.785 8.310 -0.000 0.000 0.498 960 P HA 0.018 4.438 4.420 -0.000 0.000 0.239 960 P C 0.126 177.183 177.300 -0.406 0.000 1.184 960 P CA 0.548 62.942 63.100 -1.178 0.000 0.760 960 P CB 0.089 31.122 31.700 -1.112 0.000 0.884 961 D N -0.717 119.554 120.400 -0.216 0.000 2.271 961 D HA -0.038 4.576 4.640 -0.044 0.000 0.206 961 D C 0.734 177.017 176.300 -0.029 0.000 0.967 961 D CA 0.613 54.557 54.000 -0.093 0.000 0.867 961 D CB -0.472 40.285 40.800 -0.071 0.000 0.960 961 D HN 0.155 8.525 8.370 -0.000 0.000 0.509 962 D N 1.674 122.071 120.400 -0.006 0.000 2.488 962 D HA -0.072 4.542 4.640 -0.044 0.000 0.238 962 D C 1.452 177.802 176.300 0.085 0.000 1.138 962 D CA 0.108 54.139 54.000 0.052 0.000 0.873 962 D CB 1.025 41.878 40.800 0.088 0.000 1.183 962 D HN 0.133 8.503 8.370 -0.000 0.000 0.458 963 K N 3.072 123.512 120.400 0.066 0.000 2.147 963 K HA -0.158 4.136 4.320 -0.044 0.000 0.205 963 K C 1.384 178.028 176.600 0.073 0.000 1.049 963 K CA 0.925 57.250 56.287 0.063 0.000 0.936 963 K CB 0.077 32.604 32.500 0.046 0.000 0.722 963 K HN 0.451 8.701 8.250 -0.000 0.000 0.446 964 E N 0.283 120.534 120.200 0.086 0.000 2.072 964 E HA -0.149 4.175 4.350 -0.044 0.000 0.191 964 E C 1.801 178.424 176.600 0.038 0.000 0.985 964 E CA 1.011 57.453 56.400 0.071 0.000 0.801 964 E CB -0.150 29.624 29.700 0.123 0.000 0.750 964 E HN 0.335 8.695 8.360 -0.000 0.000 0.452 965 F N 1.964 121.891 119.950 -0.038 0.000 2.113 965 F HA -0.185 4.317 4.527 -0.043 0.000 0.297 965 F C 2.289 178.046 175.800 -0.072 0.000 1.103 965 F CA 1.579 59.542 58.000 -0.061 0.000 1.248 965 F CB -0.149 38.837 39.000 -0.024 0.000 0.999 965 F HN -0.064 8.236 8.300 -0.000 0.000 0.475 966 Q N -0.117 119.848 119.800 0.275 0.000 2.096 966 Q HA -0.218 4.096 4.340 -0.044 0.000 0.204 966 Q C 2.432 178.455 176.000 0.039 0.000 0.982 966 Q CA 2.442 58.346 55.803 0.168 0.000 0.850 966 Q CB -0.432 28.377 28.738 0.120 0.000 0.901 966 Q HN 0.556 8.826 8.270 -0.000 0.000 0.422 967 S N -0.557 115.146 115.700 0.004 0.000 2.428 967 S HA -0.056 4.388 4.470 -0.044 0.000 0.230 967 S C 2.020 176.557 174.600 -0.105 0.000 1.014 967 S CA 0.895 59.082 58.200 -0.021 0.000 0.957 967 S CB -0.289 62.918 63.200 0.011 0.000 0.784 967 S HN 0.135 8.445 8.310 -0.000 0.000 0.499 968 V N 2.327 122.103 119.914 -0.230 0.000 2.379 968 V HA -0.088 4.005 4.120 -0.044 0.000 0.245 968 V C 2.784 178.627 176.094 -0.418 0.000 1.044 968 V CA 1.956 63.997 62.300 -0.431 0.000 1.036 968 V CB -0.871 30.563 31.823 -0.647 0.000 0.664 968 V HN 0.642 8.832 8.190 -0.000 0.000 0.453 969 E N 0.447 120.429 120.200 -0.363 0.000 2.153 969 E HA -0.301 4.022 4.350 -0.044 0.000 0.194 969 E C 2.104 178.628 176.600 -0.128 0.000 0.988 969 E CA 1.526 57.768 56.400 -0.263 0.000 0.811 969 E CB -0.061 29.539 29.700 -0.166 0.000 0.746 969 E HN 0.556 8.916 8.360 -0.000 0.000 0.466 970 E N 0.714 120.864 120.200 -0.083 0.000 2.152 970 E HA -0.182 4.142 4.350 -0.044 0.000 0.192 970 E C 1.664 178.252 176.600 -0.020 0.000 0.983 970 E CA 1.176 57.561 56.400 -0.026 0.000 0.818 970 E CB -0.043 29.658 29.700 0.001 0.000 0.758 970 E HN 0.207 8.567 8.360 -0.000 0.000 0.467 971 E N -0.869 119.296 120.200 -0.059 0.000 2.285 971 E HA -0.013 4.311 4.350 -0.044 0.000 0.194 971 E C 1.704 178.349 176.600 0.075 0.000 0.997 971 E CA 0.624 57.031 56.400 0.013 0.000 0.845 971 E CB -0.112 29.556 29.700 -0.054 0.000 0.782 971 E HN 0.297 8.657 8.360 -0.000 0.000 0.491 972 M N -0.281 119.275 119.600 -0.073 0.000 2.160 972 M HA -0.046 4.407 4.480 -0.044 0.000 0.264 972 M C 1.699 177.996 176.300 -0.005 0.000 1.073 972 M CA 1.359 56.523 55.300 -0.227 0.000 1.142 972 M CB 0.052 32.436 32.600 -0.360 0.000 1.358 972 M HN -0.076 8.214 8.290 -0.000 0.000 0.422 973 Q N -0.174 119.652 119.800 0.044 0.000 2.020 973 Q HA -0.062 4.252 4.340 -0.044 0.000 0.198 973 Q C 2.241 178.263 176.000 0.037 0.000 0.974 973 Q CA 2.037 57.888 55.803 0.081 0.000 0.829 973 Q CB -1.031 27.739 28.738 0.054 0.000 0.894 973 Q HN 0.735 9.005 8.270 -0.000 0.000 0.433 974 S N 0.453 116.172 115.700 0.032 0.000 2.474 974 S HA -0.063 4.381 4.470 -0.044 0.000 0.235 974 S C 1.685 176.309 174.600 0.040 0.000 0.997 974 S CA 1.267 59.486 58.200 0.032 0.000 0.949 974 S CB -0.508 62.716 63.200 0.040 0.000 0.766 974 S HN 0.436 8.746 8.310 -0.000 0.000 0.517 975 T N -0.434 114.148 114.554 0.048 0.000 3.223 975 T HA 0.451 4.774 4.350 -0.044 0.000 0.259 975 T C 0.162 174.884 174.700 0.036 0.000 1.015 975 T CA -0.513 61.622 62.100 0.059 0.000 0.908 975 T CB -0.311 68.629 68.868 0.120 0.000 1.054 975 T HN 0.119 8.359 8.240 -0.000 0.000 0.567 976 V N 2.886 122.810 119.914 0.018 0.000 2.649 976 V HA 0.631 4.725 4.120 -0.044 0.000 0.292 976 V C 0.367 176.433 176.094 -0.045 0.000 1.055 976 V CA -0.758 61.537 62.300 -0.009 0.000 1.023 976 V CB 0.748 32.512 31.823 -0.099 0.000 0.992 976 V HN 0.796 8.986 8.190 -0.000 0.000 0.480 977 R N 2.418 122.881 120.500 -0.062 0.000 2.781 977 R HA 0.632 4.946 4.340 -0.044 0.000 0.269 977 R C -1.140 175.050 176.300 -0.184 0.000 1.025 977 R CA -0.996 55.026 56.100 -0.129 0.000 0.914 977 R CB 1.731 31.946 30.300 -0.142 0.000 1.236 977 R HN 0.545 8.815 8.270 -0.000 0.000 0.465 978 E N 1.342 121.420 120.200 -0.204 0.000 2.331 978 E HA 0.182 4.506 4.350 -0.044 0.000 0.272 978 E C -0.634 175.789 176.600 -0.294 0.000 1.036 978 E CA -0.460 55.838 56.400 -0.170 0.000 0.864 978 E CB 0.766 30.394 29.700 -0.121 0.000 1.035 978 E HN 0.323 8.683 8.360 -0.000 0.000 0.408 979 H N 1.810 120.833 119.070 -0.078 0.000 2.499 979 H HA 0.220 4.750 4.556 -0.043 0.000 0.340 979 H C 0.667 175.986 175.328 -0.015 0.000 1.148 979 H CA -0.459 55.570 56.048 -0.031 0.000 1.215 979 H CB 1.463 31.212 29.762 -0.023 0.000 1.529 979 H HN 0.449 8.729 8.280 -0.000 0.000 0.510 980 R N 0.571 121.104 120.500 0.056 0.000 2.293 980 R HA -0.109 4.204 4.340 -0.044 0.000 0.219 980 R C 0.546 176.877 176.300 0.051 0.000 1.091 980 R CA 1.436 57.558 56.100 0.037 0.000 1.004 980 R CB 0.031 30.351 30.300 0.033 0.000 0.865 980 R HN 0.607 8.877 8.270 -0.000 0.000 0.469 981 D N -1.181 119.271 120.400 0.087 0.000 2.340 981 D HA 0.049 4.663 4.640 -0.044 0.000 0.220 981 D C 1.165 177.519 176.300 0.091 0.000 1.039 981 D CA 0.657 54.703 54.000 0.076 0.000 0.866 981 D CB 0.141 41.001 40.800 0.101 0.000 0.913 981 D HN 0.167 8.537 8.370 -0.000 0.000 0.523 982 G N -0.448 108.399 108.800 0.078 0.000 2.168 982 G HA2 -0.140 3.794 3.960 -0.044 0.000 0.263 982 G HA3 -0.140 3.794 3.960 -0.044 0.000 0.263 982 G C 1.139 176.078 174.900 0.065 0.000 0.977 982 G CA 0.394 45.530 45.100 0.060 0.000 0.659 982 G HN 1.433 9.723 8.290 -0.000 0.000 0.533 983 G N -1.791 107.059 108.800 0.082 0.000 2.192 983 G HA2 -0.218 3.715 3.960 -0.044 0.000 0.193 983 G HA3 -0.218 3.715 3.960 -0.044 0.000 0.193 983 G C 0.748 175.681 174.900 0.055 0.000 0.999 983 G CA 1.311 46.447 45.100 0.061 0.000 0.659 983 G HN 1.128 9.418 8.290 -0.000 0.000 0.503 984 H N 0.637 119.708 119.070 0.001 0.000 2.289 984 H HA -0.133 4.397 4.556 -0.044 0.000 0.294 984 H C 2.689 177.998 175.328 -0.032 0.000 1.095 984 H CA 2.949 58.989 56.048 -0.012 0.000 1.256 984 H CB -0.089 29.665 29.762 -0.012 0.000 1.359 984 H HN 0.647 8.927 8.280 -0.000 0.000 0.487 985 A N -0.299 122.508 122.820 -0.023 0.000 1.855 985 A HA 0.042 4.336 4.320 -0.044 0.000 0.213 985 A C 2.629 180.144 177.584 -0.116 0.000 1.195 985 A CA 1.281 53.254 52.037 -0.107 0.000 0.610 985 A CB -0.824 18.099 19.000 -0.128 0.000 0.837 985 A HN 0.538 8.688 8.150 -0.000 0.000 0.444 986 G N -1.912 106.842 108.800 -0.077 0.000 2.986 986 G HA2 0.471 4.405 3.960 -0.044 0.000 0.213 986 G HA3 0.471 4.405 3.960 -0.044 0.000 0.213 986 G C 0.808 175.796 174.900 0.147 0.000 1.156 986 G CA 0.660 45.767 45.100 0.011 0.000 0.763 986 G HN 1.691 9.981 8.290 -0.000 0.000 0.547 987 G N -0.479 108.385 108.800 0.107 0.000 2.661 987 G HA2 -0.096 3.838 3.960 -0.044 0.000 0.685 987 G HA3 -0.096 3.838 3.960 -0.044 0.000 0.685 987 G C -0.730 174.334 174.900 0.274 0.000 1.298 987 G CA -0.643 44.539 45.100 0.136 0.000 0.855 987 G HN 0.467 8.757 8.290 -0.000 0.000 0.560 988 I N 1.411 122.143 120.570 0.269 0.000 2.312 988 I HA 0.710 4.854 4.170 -0.044 0.000 0.290 988 I C 0.259 176.635 176.117 0.432 0.000 1.008 988 I CA -0.376 61.062 61.300 0.231 0.000 1.226 988 I CB 0.513 38.624 38.000 0.186 0.000 1.371 988 I HN 0.741 8.951 8.210 -0.000 0.000 0.468 989 F N 3.050 123.051 119.950 0.084 0.000 2.769 989 F HA 0.421 4.921 4.527 -0.044 0.000 0.313 989 F C -0.745 175.019 175.800 -0.061 0.000 1.146 989 F CA -0.993 57.027 58.000 0.034 0.000 0.934 989 F CB 0.854 39.878 39.000 0.040 0.000 1.283 989 F HN 0.281 8.581 8.300 -0.000 0.000 0.443 990 N N -0.384 118.306 118.700 -0.018 0.000 2.239 990 N HA 0.256 4.970 4.740 -0.044 0.000 0.208 990 N C -0.758 174.704 175.510 -0.080 0.000 1.200 990 N CA -0.535 52.440 53.050 -0.125 0.000 0.895 990 N CB 0.794 39.232 38.487 -0.082 0.000 1.085 990 N HN 0.645 9.025 8.380 -0.000 0.000 0.500 991 R N -0.736 119.759 120.500 -0.008 0.000 2.795 991 R HA 0.470 4.784 4.340 -0.044 0.000 0.268 991 R C -1.767 174.435 176.300 -0.162 0.000 1.041 991 R CA -0.824 55.210 56.100 -0.112 0.000 0.927 991 R CB 0.820 31.108 30.300 -0.020 0.000 1.235 991 R HN -0.175 8.095 8.270 -0.000 0.000 0.463 992 Y N -0.593 119.749 120.300 0.070 0.000 2.509 992 Y HA 0.379 4.903 4.550 -0.043 0.000 0.341 992 Y C -0.206 175.717 175.900 0.039 0.000 1.038 992 Y CA -1.243 56.874 58.100 0.029 0.000 1.089 992 Y CB 1.669 40.089 38.460 -0.067 0.000 1.241 992 Y HN 0.588 8.868 8.280 -0.000 0.000 0.468 993 N N 2.300 121.137 118.700 0.229 0.000 2.500 993 N HA 0.208 4.922 4.740 -0.044 0.000 0.236 993 N C -1.375 174.215 175.510 0.132 0.000 1.022 993 N CA -0.247 52.885 53.050 0.137 0.000 0.935 993 N CB 0.181 38.719 38.487 0.085 0.000 1.147 993 N HN 0.460 8.840 8.380 -0.000 0.000 0.512 994 I N 5.433 126.075 120.570 0.120 0.000 2.363 994 I HA 0.049 4.193 4.170 -0.044 0.000 0.292 994 I C 1.347 177.535 176.117 0.120 0.000 1.075 994 I CA -0.007 61.349 61.300 0.093 0.000 1.333 994 I CB 0.435 38.461 38.000 0.045 0.000 1.415 994 I HN 0.550 8.760 8.210 -0.000 0.000 0.502 995 L N 5.179 126.435 121.223 0.056 0.000 2.168 995 L HA 0.151 4.465 4.340 -0.044 0.000 0.203 995 L C 0.889 177.826 176.870 0.111 0.000 1.078 995 L CA 0.739 55.593 54.840 0.023 0.000 0.780 995 L CB -0.060 41.904 42.059 -0.158 0.000 0.939 995 L HN 0.508 8.738 8.230 -0.000 0.000 0.451 996 K N 0.213 120.684 120.400 0.119 0.000 2.543 996 K HA 0.539 4.833 4.320 -0.044 0.000 0.255 996 K C -1.705 174.953 176.600 0.097 0.000 0.934 996 K CA -0.405 55.985 56.287 0.171 0.000 0.810 996 K CB 2.032 34.601 32.500 0.114 0.000 1.315 996 K HN -0.108 8.142 8.250 -0.000 0.000 0.433 997 I N 3.524 124.175 120.570 0.134 0.000 2.436 997 I HA 0.321 4.465 4.170 -0.044 0.000 0.289 997 I C -0.857 175.343 176.117 0.139 0.000 1.010 997 I CA -0.751 60.540 61.300 -0.016 0.000 1.098 997 I CB 2.095 39.847 38.000 -0.412 0.000 1.266 997 I HN 0.523 8.733 8.210 -0.000 0.000 0.434 998 Q N 4.773 124.659 119.800 0.143 0.000 2.356 998 Q HA 0.401 4.715 4.340 -0.044 0.000 0.270 998 Q C -0.932 175.164 176.000 0.159 0.000 1.058 998 Q CA -0.962 54.925 55.803 0.141 0.000 0.802 998 Q CB 3.293 32.083 28.738 0.087 0.000 1.303 998 Q HN 0.365 8.635 8.270 -0.000 0.000 0.444 999 K N 1.523 121.990 120.400 0.110 0.000 2.312 999 K HA 0.286 4.579 4.320 -0.044 0.000 0.287 999 K C -1.034 175.524 176.600 -0.071 0.000 1.062 999 K CA -0.246 56.026 56.287 -0.025 0.000 0.934 999 K CB 0.662 33.154 32.500 -0.013 0.000 1.027 999 K HN 0.340 8.590 8.250 -0.000 0.000 0.478 1000 V N 5.571 125.405 119.914 -0.134 0.000 2.368 1000 V HA 0.168 4.262 4.120 -0.044 0.000 0.266 1000 V C -0.482 175.596 176.094 -0.028 0.000 1.045 1000 V CA -0.799 61.432 62.300 -0.114 0.000 0.899 1000 V CB 0.669 32.366 31.823 -0.209 0.000 1.006 1000 V HN 0.844 9.034 8.190 -0.000 0.000 0.470 1001 C N 5.381 124.671 119.300 -0.016 0.000 2.281 1001 C HA 0.583 5.017 4.460 -0.044 0.000 0.323 1001 C C 0.232 175.256 174.990 0.057 0.000 1.270 1001 C CA -0.807 58.220 59.018 0.015 0.000 1.559 1001 C CB -0.088 27.630 27.740 -0.036 0.000 2.239 1001 C HN 0.890 9.120 8.230 -0.000 0.000 0.488 1002 N N 2.428 121.217 118.700 0.148 0.000 2.599 1002 N HA 0.121 4.835 4.740 -0.044 0.000 0.283 1002 N C 0.406 176.038 175.510 0.204 0.000 1.160 1002 N CA -0.297 52.844 53.050 0.153 0.000 0.869 1002 N CB 1.108 39.680 38.487 0.141 0.000 1.448 1002 N HN 0.687 9.067 8.380 -0.000 0.000 0.535 1003 K N 2.579 123.061 120.400 0.136 0.000 2.032 1003 K HA -0.159 4.134 4.320 -0.044 0.000 0.209 1003 K C 1.596 178.295 176.600 0.164 0.000 1.048 1003 K CA 1.348 57.722 56.287 0.145 0.000 0.927 1003 K CB 0.169 32.723 32.500 0.090 0.000 0.712 1003 K HN 0.508 8.758 8.250 -0.000 0.000 0.441 1004 K N 0.755 121.233 120.400 0.130 0.000 2.026 1004 K HA -0.145 4.149 4.320 -0.044 0.000 0.208 1004 K C 2.178 178.865 176.600 0.145 0.000 1.048 1004 K CA 1.352 57.704 56.287 0.108 0.000 0.929 1004 K CB -0.089 32.461 32.500 0.083 0.000 0.713 1004 K HN 0.133 8.383 8.250 -0.000 0.000 0.439 1005 L N -0.188 121.166 121.223 0.218 0.000 2.109 1005 L HA -0.137 4.177 4.340 -0.044 0.000 0.207 1005 L C 2.532 179.644 176.870 0.403 0.000 1.086 1005 L CA 0.900 55.918 54.840 0.297 0.000 0.760 1005 L CB -0.593 41.650 42.059 0.307 0.000 0.910 1005 L HN 0.479 8.709 8.230 -0.000 0.000 0.437 1006 W N 1.777 123.176 121.300 0.165 0.000 2.363 1006 W HA -0.183 4.450 4.660 -0.045 0.000 0.296 1006 W C 1.940 178.463 176.519 0.006 0.000 1.212 1006 W CA 1.547 58.805 57.345 -0.146 0.000 1.260 1006 W CB 0.107 29.335 29.460 -0.386 0.000 1.131 1006 W HN 0.254 8.434 8.180 -0.000 0.000 0.530 1007 E N -0.109 120.061 120.200 -0.051 0.000 2.152 1007 E HA -0.206 4.118 4.350 -0.044 0.000 0.192 1007 E C 2.285 178.832 176.600 -0.088 0.000 0.983 1007 E CA 0.641 56.970 56.400 -0.118 0.000 0.818 1007 E CB -0.322 29.374 29.700 -0.007 0.000 0.758 1007 E HN 0.209 8.569 8.360 -0.000 0.000 0.467 1008 R N 0.151 120.655 120.500 0.006 0.000 2.081 1008 R HA -0.180 4.133 4.340 -0.044 0.000 0.235 1008 R C 2.204 178.533 176.300 0.048 0.000 1.131 1008 R CA 1.324 57.454 56.100 0.049 0.000 0.960 1008 R CB -0.202 30.163 30.300 0.108 0.000 0.856 1008 R HN 0.255 8.525 8.270 -0.000 0.000 0.436 1009 Y N 0.928 121.163 120.300 -0.109 0.000 2.184 1009 Y HA -0.175 4.346 4.550 -0.047 0.000 0.290 1009 Y C 2.494 178.183 175.900 -0.351 0.000 1.129 1009 Y CA 2.124 60.112 58.100 -0.187 0.000 1.144 1009 Y CB -0.323 38.048 38.460 -0.149 0.000 0.995 1009 Y HN 0.181 8.461 8.280 -0.000 0.000 0.513 1010 T N -2.179 111.907 114.554 -0.780 0.000 2.962 1010 T HA -0.226 4.098 4.350 -0.044 0.000 0.270 1010 T C 1.923 176.352 174.700 -0.452 0.000 1.088 1010 T CA 1.546 63.180 62.100 -0.776 0.000 1.127 1010 T CB -0.839 67.587 68.868 -0.737 0.000 0.883 1010 T HN 0.638 8.878 8.240 -0.000 0.000 0.493 1011 H N 1.330 120.183 119.070 -0.362 0.000 2.299 1011 H HA 0.022 4.551 4.556 -0.045 0.000 0.302 1011 H C 2.576 177.764 175.328 -0.233 0.000 1.078 1011 H CA 1.772 57.679 56.048 -0.234 0.000 1.323 1011 H CB -0.076 29.596 29.762 -0.150 0.000 1.381 1011 H HN 0.257 8.537 8.280 -0.000 0.000 0.498 1012 R N 1.339 121.684 120.500 -0.257 0.000 2.115 1012 R HA -0.057 4.257 4.340 -0.044 0.000 0.230 1012 R C 2.654 178.733 176.300 -0.369 0.000 1.111 1012 R CA 1.371 57.314 56.100 -0.262 0.000 0.976 1012 R CB -0.648 29.588 30.300 -0.106 0.000 0.870 1012 R HN 0.306 8.576 8.270 -0.000 0.000 0.445 1013 R N 0.251 120.435 120.500 -0.528 0.000 2.091 1013 R HA -0.128 4.186 4.340 -0.044 0.000 0.238 1013 R C 2.047 178.108 176.300 -0.399 0.000 1.136 1013 R CA 1.967 57.739 56.100 -0.548 0.000 0.959 1013 R CB -0.198 29.636 30.300 -0.776 0.000 0.856 1013 R HN 0.154 8.424 8.270 -0.000 0.000 0.437 1014 K N 0.325 120.501 120.400 -0.374 0.000 2.097 1014 K HA -0.166 4.128 4.320 -0.044 0.000 0.206 1014 K C 1.718 178.152 176.600 -0.276 0.000 1.049 1014 K CA 1.685 57.796 56.287 -0.293 0.000 0.933 1014 K CB 0.093 32.430 32.500 -0.273 0.000 0.717 1014 K HN 0.309 8.559 8.250 -0.000 0.000 0.442 1015 E N -0.137 119.872 120.200 -0.319 0.000 2.028 1015 E HA -0.159 4.165 4.350 -0.044 0.000 0.191 1015 E C 1.993 178.461 176.600 -0.220 0.000 0.988 1015 E CA 1.363 57.614 56.400 -0.249 0.000 0.799 1015 E CB 0.066 29.619 29.700 -0.246 0.000 0.755 1015 E HN 0.070 8.430 8.360 -0.000 0.000 0.447 1016 V N 1.149 120.887 119.914 -0.294 0.000 2.295 1016 V HA -0.273 3.821 4.120 -0.044 0.000 0.246 1016 V C 2.523 178.358 176.094 -0.431 0.000 1.049 1016 V CA 1.893 63.912 62.300 -0.468 0.000 1.024 1016 V CB -0.585 30.901 31.823 -0.562 0.000 0.648 1016 V HN 0.298 8.488 8.190 -0.000 0.000 0.447 1017 S N 0.178 115.679 115.700 -0.332 0.000 2.359 1017 S HA -0.324 4.120 4.470 -0.044 0.000 0.223 1017 S C 1.939 176.419 174.600 -0.199 0.000 1.039 1017 S CA 2.375 60.423 58.200 -0.254 0.000 1.042 1017 S CB -0.411 62.668 63.200 -0.203 0.000 0.915 1017 S HN 0.691 9.001 8.310 -0.000 0.000 0.439 1018 E N 0.350 120.451 120.200 -0.166 0.000 2.338 1018 E HA -0.034 4.290 4.350 -0.044 0.000 0.197 1018 E C 1.820 178.363 176.600 -0.095 0.000 1.007 1018 E CA 0.936 57.269 56.400 -0.113 0.000 0.849 1018 E CB 0.000 29.640 29.700 -0.101 0.000 0.774 1018 E HN 0.680 9.040 8.360 -0.000 0.000 0.506 1019 E N -0.181 119.951 120.200 -0.113 0.000 2.474 1019 E HA 0.029 4.353 4.350 -0.044 0.000 0.195 1019 E C -0.040 176.517 176.600 -0.071 0.000 1.039 1019 E CA -0.036 56.339 56.400 -0.041 0.000 0.881 1019 E CB 0.321 30.065 29.700 0.074 0.000 0.970 1019 E HN -0.026 8.334 8.360 -0.000 0.000 0.486 1020 N N 0.391 118.961 118.700 -0.215 0.000 2.687 1020 N HA -0.038 4.676 4.740 -0.044 0.000 0.275 1020 N C -0.978 174.077 175.510 -0.758 0.000 1.789 1020 N CA -0.263 52.528 53.050 -0.431 0.000 0.806 1020 N CB -0.114 38.121 38.487 -0.420 0.000 1.256 1020 N HN 0.142 8.522 8.380 -0.000 0.000 0.500 1021 H N 0.873 119.945 119.070 0.003 0.000 2.404 1021 H HA -0.231 4.299 4.556 -0.042 0.000 0.323 1021 H C -0.704 174.631 175.328 0.012 0.000 1.029 1021 H CA 1.030 57.081 56.048 0.005 0.000 1.111 1021 H CB -1.958 27.810 29.762 0.010 0.000 1.524 1021 H HN 0.542 8.822 8.280 -0.000 0.000 0.394 1022 N N -0.079 118.598 118.700 -0.037 0.000 2.740 1022 N HA -0.230 4.484 4.740 -0.044 0.000 0.248 1022 N C -0.377 175.154 175.510 0.035 0.000 1.062 1022 N CA 1.462 54.499 53.050 -0.021 0.000 0.704 1022 N CB -1.500 36.991 38.487 0.007 0.000 0.968 1022 N HN 0.925 9.305 8.380 -0.000 0.000 0.547 1023 H N -1.124 117.845 119.070 -0.168 0.000 2.800 1023 H HA 0.468 4.999 4.556 -0.042 0.000 0.322 1023 H C 0.745 175.951 175.328 -0.203 0.000 0.979 1023 H CA 0.081 56.048 56.048 -0.136 0.000 1.277 1023 H CB 1.063 30.788 29.762 -0.061 0.000 1.484 1023 H HN 0.157 8.437 8.280 -0.000 0.000 0.512 1024 A N 4.069 126.753 122.820 -0.227 0.000 2.067 1024 A HA -0.109 4.184 4.320 -0.044 0.000 0.217 1024 A C 1.095 178.399 177.584 -0.465 0.000 1.156 1024 A CA 0.727 52.558 52.037 -0.342 0.000 0.683 1024 A CB -0.230 18.624 19.000 -0.243 0.000 0.808 1024 A HN 0.908 9.058 8.150 -0.000 0.000 0.455 1025 N N -0.051 118.244 118.700 -0.675 0.000 2.708 1025 N HA -0.163 4.551 4.740 -0.044 0.000 0.255 1025 N C -0.456 174.892 175.510 -0.270 0.000 1.046 1025 N CA 0.997 53.697 53.050 -0.583 0.000 0.715 1025 N CB -1.667 36.446 38.487 -0.623 0.000 0.895 1025 N HN 0.739 9.119 8.380 -0.000 0.000 0.545 1026 E N 0.975 121.079 120.200 -0.159 0.000 2.259 1026 E HA 0.208 4.532 4.350 -0.044 0.000 0.281 1026 E C -0.095 176.426 176.600 -0.133 0.000 1.037 1026 E CA -0.369 55.958 56.400 -0.122 0.000 0.854 1026 E CB 0.480 30.154 29.700 -0.043 0.000 1.051 1026 E HN 0.185 8.545 8.360 -0.000 0.000 0.409 1027 R N 3.393 123.766 120.500 -0.211 0.000 2.854 1027 R HA 0.461 4.775 4.340 -0.044 0.000 0.271 1027 R C -0.447 175.678 176.300 -0.290 0.000 0.996 1027 R CA -1.081 54.874 56.100 -0.242 0.000 0.961 1027 R CB 1.155 31.245 30.300 -0.351 0.000 1.182 1027 R HN 0.542 8.812 8.270 -0.000 0.000 0.479 1028 M N 2.889 122.305 119.600 -0.306 0.000 2.088 1028 M HA 0.464 4.918 4.480 -0.044 0.000 0.346 1028 M C -0.521 175.524 176.300 -0.426 0.000 1.111 1028 M CA -0.322 54.648 55.300 -0.550 0.000 1.017 1028 M CB 0.497 32.647 32.600 -0.751 0.000 1.568 1028 M HN 0.421 8.711 8.290 -0.000 0.000 0.445 1029 L N 2.115 123.097 121.223 -0.402 0.000 2.327 1029 L HA 0.660 4.974 4.340 -0.044 0.000 0.258 1029 L C -0.939 175.950 176.870 0.031 0.000 1.024 1029 L CA -0.769 54.027 54.840 -0.074 0.000 0.825 1029 L CB 2.259 44.348 42.059 0.050 0.000 1.386 1029 L HN 0.371 8.601 8.230 -0.000 0.000 0.417 1030 F N -0.565 119.647 119.950 0.437 0.000 2.397 1030 F HA 0.426 4.926 4.527 -0.045 0.000 0.331 1030 F C -0.033 176.011 175.800 0.406 0.000 1.090 1030 F CA -0.281 57.961 58.000 0.403 0.000 1.065 1030 F CB 1.013 40.161 39.000 0.246 0.000 1.184 1030 F HN 0.338 8.638 8.300 -0.000 0.000 0.499 1031 H N 0.574 119.891 119.070 0.413 0.000 3.013 1031 H HA 0.556 5.086 4.556 -0.044 0.000 0.326 1031 H C -0.521 174.900 175.328 0.155 0.000 0.973 1031 H CA -0.662 55.501 56.048 0.191 0.000 1.369 1031 H CB 1.183 31.046 29.762 0.169 0.000 1.598 1031 H HN 0.728 9.008 8.280 -0.000 0.000 0.518 1032 G N 2.803 111.399 108.800 -0.339 0.000 2.417 1032 G HA2 0.502 4.435 3.960 -0.044 0.000 0.320 1032 G HA3 0.502 4.435 3.960 -0.044 0.000 0.320 1032 G C -1.169 173.478 174.900 -0.422 0.000 1.204 1032 G CA -0.456 44.501 45.100 -0.239 0.000 0.923 1032 G HN 0.600 8.890 8.290 -0.000 0.000 0.466 1033 S N 1.865 117.383 115.700 -0.304 0.000 2.552 1033 S HA 0.623 5.067 4.470 -0.044 0.000 0.272 1033 S C -2.330 172.079 174.600 -0.318 0.000 1.150 1033 S CA -0.843 57.162 58.200 -0.325 0.000 0.849 1033 S CB 2.138 65.214 63.200 -0.207 0.000 1.113 1033 S HN 0.190 8.500 8.310 -0.000 0.000 0.458 1034 P HA 0.152 4.572 4.420 -0.000 0.000 0.229 1034 P C 0.214 177.370 177.300 -0.239 0.000 1.160 1034 P CA 0.684 63.540 63.100 -0.406 0.000 0.777 1034 P CB -0.094 31.309 31.700 -0.494 0.000 0.814 1035 F N -2.073 117.931 119.950 0.089 0.000 2.660 1035 F HA 0.140 4.663 4.527 -0.006 0.000 0.297 1035 F C 1.887 177.705 175.800 0.030 0.000 1.132 1035 F CA -0.771 57.303 58.000 0.123 0.000 1.372 1035 F CB -1.558 37.620 39.000 0.295 0.000 1.003 1035 F HN -0.286 8.014 8.300 -0.000 0.000 0.524 1036 V N 0.628 120.592 119.914 0.084 0.000 2.287 1036 V HA -0.361 3.733 4.120 -0.044 0.000 0.248 1036 V C 2.386 178.483 176.094 0.006 0.000 1.053 1036 V CA 2.375 64.684 62.300 0.015 0.000 1.027 1036 V CB -0.586 31.246 31.823 0.014 0.000 0.646 1036 V HN 0.383 8.573 8.190 -0.000 0.000 0.447 1037 N N -0.305 118.438 118.700 0.070 0.000 2.223 1037 N HA -0.120 4.594 4.740 -0.044 0.000 0.185 1037 N C 1.630 177.243 175.510 0.173 0.000 1.016 1037 N CA 1.351 54.469 53.050 0.114 0.000 0.863 1037 N CB -0.247 38.311 38.487 0.119 0.000 0.983 1037 N HN 0.490 8.870 8.380 -0.000 0.000 0.429 1038 A N -0.241 122.669 122.820 0.151 0.000 1.970 1038 A HA 0.058 4.352 4.320 -0.044 0.000 0.216 1038 A C 2.056 179.678 177.584 0.063 0.000 1.170 1038 A CA 0.625 52.762 52.037 0.165 0.000 0.645 1038 A CB -0.361 18.788 19.000 0.249 0.000 0.816 1038 A HN 0.296 8.446 8.150 -0.000 0.000 0.447 1039 I N 0.474 120.949 120.570 -0.158 0.000 2.439 1039 I HA -0.176 3.968 4.170 -0.044 0.000 0.251 1039 I C 2.308 178.174 176.117 -0.418 0.000 1.139 1039 I CA 1.257 62.254 61.300 -0.506 0.000 1.438 1039 I CB -0.242 37.196 38.000 -0.938 0.000 1.085 1039 I HN 0.538 8.748 8.210 -0.000 0.000 0.427 1040 I N -1.897 118.491 120.570 -0.303 0.000 2.676 1040 I HA -0.175 3.969 4.170 -0.044 0.000 0.259 1040 I C 2.008 177.871 176.117 -0.424 0.000 1.194 1040 I CA 1.675 62.751 61.300 -0.373 0.000 1.473 1040 I CB -0.542 37.252 38.000 -0.342 0.000 1.096 1040 I HN 0.183 8.393 8.210 -0.000 0.000 0.443 1041 H N 0.929 119.945 119.070 -0.090 0.000 2.506 1041 H HA 0.249 4.777 4.556 -0.048 0.000 0.289 1041 H C 1.464 176.779 175.328 -0.021 0.000 1.009 1041 H CA 0.652 56.677 56.048 -0.038 0.000 1.303 1041 H CB 0.406 30.159 29.762 -0.015 0.000 1.453 1041 H HN 0.207 8.487 8.280 -0.000 0.000 0.526 1042 K N -0.048 120.398 120.400 0.077 0.000 2.373 1042 K HA 0.265 4.559 4.320 -0.044 0.000 0.200 1042 K C 0.304 176.930 176.600 0.043 0.000 1.054 1042 K CA 0.365 56.696 56.287 0.073 0.000 1.065 1042 K CB 1.815 34.375 32.500 0.100 0.000 0.886 1042 K HN 0.354 8.604 8.250 -0.000 0.000 0.546 1043 G N 1.464 110.228 108.800 -0.059 0.000 2.760 1043 G HA2 -0.272 3.662 3.960 -0.044 0.000 0.246 1043 G HA3 -0.272 3.662 3.960 -0.044 0.000 0.246 1043 G C -0.706 174.133 174.900 -0.103 0.000 1.359 1043 G CA -0.843 44.194 45.100 -0.105 0.000 0.861 1043 G HN 0.073 8.363 8.290 -0.000 0.000 0.541 1044 F N 2.046 122.023 119.950 0.046 0.000 2.375 1044 F HA 0.590 5.084 4.527 -0.055 0.000 0.333 1044 F C 0.946 176.891 175.800 0.241 0.000 1.104 1044 F CA 0.842 58.919 58.000 0.129 0.000 1.149 1044 F CB 1.782 40.809 39.000 0.046 0.000 1.190 1044 F HN 0.944 9.244 8.300 -0.000 0.000 0.533 1045 D N -1.084 119.642 120.400 0.544 0.000 2.946 1045 D HA 0.120 4.734 4.640 -0.044 0.000 0.337 1045 D C 0.300 176.694 176.300 0.155 0.000 1.332 1045 D CA -0.674 53.477 54.000 0.250 0.000 0.935 1045 D CB 0.125 41.007 40.800 0.136 0.000 1.440 1045 D HN 0.344 8.714 8.370 -0.000 0.000 0.540 1046 E N -0.108 120.130 120.200 0.063 0.000 2.401 1046 E HA -0.173 4.151 4.350 -0.044 0.000 0.199 1046 E C 1.004 177.589 176.600 -0.026 0.000 1.023 1046 E CA 0.787 57.207 56.400 0.033 0.000 0.859 1046 E CB -0.159 29.551 29.700 0.016 0.000 0.780 1046 E HN 0.330 8.690 8.360 -0.000 0.000 0.523 1047 R N 0.067 120.472 120.500 -0.157 0.000 2.254 1047 R HA 0.099 4.413 4.340 -0.044 0.000 0.195 1047 R C 1.011 177.122 176.300 -0.315 0.000 0.957 1047 R CA 0.610 56.532 56.100 -0.297 0.000 1.024 1047 R CB -0.363 29.667 30.300 -0.449 0.000 0.952 1047 R HN 0.487 8.757 8.270 -0.000 0.000 0.484 1048 H N -0.106 119.039 119.070 0.124 0.000 2.551 1048 H HA 0.335 4.889 4.556 -0.002 0.000 0.271 1048 H C 0.437 175.927 175.328 0.271 0.000 0.984 1048 H CA 0.016 56.232 56.048 0.281 0.000 1.164 1048 H CB 0.514 30.488 29.762 0.353 0.000 1.437 1048 H HN 0.081 8.361 8.280 -0.000 0.000 0.550 1049 A N 0.891 123.868 122.820 0.261 0.000 2.401 1049 A HA 0.071 4.364 4.320 -0.044 0.000 0.259 1049 A C -0.743 177.016 177.584 0.292 0.000 1.103 1049 A CA -0.275 51.912 52.037 0.249 0.000 0.789 1049 A CB -0.254 18.849 19.000 0.172 0.000 1.035 1049 A HN 0.599 8.749 8.150 -0.000 0.000 0.491 1050 Y N 4.718 125.091 120.300 0.122 0.000 2.595 1050 Y HA 0.194 4.714 4.550 -0.050 0.000 0.347 1050 Y C 0.667 176.579 175.900 0.019 0.000 1.025 1050 Y CA -1.171 56.920 58.100 -0.015 0.000 1.295 1050 Y CB 0.233 38.484 38.460 -0.348 0.000 1.147 1050 Y HN 0.622 8.902 8.280 -0.000 0.000 0.515 1051 I N 4.507 125.135 120.570 0.097 0.000 2.208 1051 I HA -0.207 3.937 4.170 -0.044 0.000 0.245 1051 I C 2.172 178.160 176.117 -0.215 0.000 1.097 1051 I CA 1.537 62.826 61.300 -0.018 0.000 1.363 1051 I CB -1.391 36.630 38.000 0.036 0.000 1.051 1051 I HN 0.797 9.007 8.210 -0.000 0.000 0.413 1052 G N 0.787 109.339 108.800 -0.413 0.000 3.379 1052 G HA2 0.291 4.225 3.960 -0.044 0.000 0.253 1052 G HA3 0.291 4.225 3.960 -0.044 0.000 0.253 1052 G C 0.798 175.124 174.900 -0.956 0.000 1.262 1052 G CA 0.091 44.889 45.100 -0.504 0.000 0.959 1052 G HN 0.469 8.759 8.290 -0.000 0.000 0.524 1053 G N -0.556 107.567 108.800 -1.128 0.000 2.527 1053 G HA2 0.326 4.260 3.960 -0.044 0.000 0.248 1053 G HA3 0.326 4.260 3.960 -0.044 0.000 0.248 1053 G C 1.070 175.798 174.900 -0.286 0.000 1.231 1053 G CA -0.613 43.974 45.100 -0.855 0.000 0.838 1053 G HN 0.170 8.460 8.290 -0.000 0.000 0.570 1054 M N 0.634 120.094 119.600 -0.233 0.000 2.394 1054 M HA 0.097 4.551 4.480 -0.044 0.000 0.264 1054 M C 0.447 176.384 176.300 -0.604 0.000 1.073 1054 M CA 1.229 56.239 55.300 -0.482 0.000 1.111 1054 M CB -0.011 32.129 32.600 -0.767 0.000 1.401 1054 M HN 0.524 8.814 8.290 -0.000 0.000 0.448 1055 F N 0.381 120.492 119.950 0.268 0.000 2.855 1055 F HA 0.528 5.027 4.527 -0.047 0.000 0.317 1055 F C 1.000 176.959 175.800 0.264 0.000 1.169 1055 F CA -0.357 57.766 58.000 0.204 0.000 1.299 1055 F CB -0.243 38.837 39.000 0.133 0.000 0.962 1055 F HN 0.188 8.488 8.300 -0.000 0.000 0.506 1056 G N 0.766 109.744 108.800 0.297 0.000 2.712 1056 G HA2 0.152 4.085 3.960 -0.044 0.000 0.683 1056 G HA3 0.152 4.085 3.960 -0.044 0.000 0.683 1056 G C -0.353 174.750 174.900 0.338 0.000 1.320 1056 G CA -0.756 44.521 45.100 0.295 0.000 0.847 1056 G HN 0.662 8.952 8.290 -0.000 0.000 0.553 1057 A N 0.752 123.731 122.820 0.265 0.000 2.915 1057 A HA 0.720 5.014 4.320 -0.044 0.000 0.292 1057 A C 1.107 178.867 177.584 0.293 0.000 1.632 1057 A CA 1.476 53.644 52.037 0.218 0.000 1.337 1057 A CB -0.641 18.432 19.000 0.121 0.000 1.111 1057 A HN 2.322 10.472 8.150 -0.000 0.000 0.569 1058 G N 0.314 109.274 108.800 0.266 0.000 3.105 1058 G HA2 0.584 4.518 3.960 -0.044 0.000 0.277 1058 G HA3 0.584 4.518 3.960 -0.044 0.000 0.277 1058 G C -0.759 174.230 174.900 0.148 0.000 1.375 1058 G CA -0.858 44.201 45.100 -0.068 0.000 0.962 1058 G HN 0.422 8.712 8.290 -0.000 0.000 0.541 1059 I N 0.603 121.155 120.570 -0.029 0.000 2.325 1059 I HA 0.272 4.416 4.170 -0.044 0.000 0.291 1059 I C -0.890 175.168 176.117 -0.098 0.000 1.019 1059 I CA -0.386 60.924 61.300 0.017 0.000 1.302 1059 I CB 0.845 38.784 38.000 -0.101 0.000 1.401 1059 I HN 0.309 8.519 8.210 -0.000 0.000 0.485 1060 Y N 5.764 125.917 120.300 -0.245 0.000 2.323 1060 Y HA 0.565 5.086 4.550 -0.049 0.000 0.331 1060 Y C -0.337 175.317 175.900 -0.410 0.000 1.092 1060 Y CA -0.370 57.630 58.100 -0.167 0.000 1.150 1060 Y CB 1.194 39.602 38.460 -0.088 0.000 1.200 1060 Y HN 0.340 8.620 8.280 -0.000 0.000 0.472 1061 F N 1.053 121.119 119.950 0.192 0.000 2.588 1061 F HA 0.804 5.303 4.527 -0.046 0.000 0.314 1061 F C -0.293 175.669 175.800 0.271 0.000 1.069 1061 F CA -1.047 57.093 58.000 0.235 0.000 0.931 1061 F CB 1.880 40.955 39.000 0.125 0.000 1.260 1061 F HN 0.439 8.739 8.300 -0.000 0.000 0.465 1062 A N 1.018 124.136 122.820 0.497 0.000 2.454 1062 A HA 0.598 4.892 4.320 -0.044 0.000 0.302 1062 A C 0.129 178.020 177.584 0.511 0.000 1.079 1062 A CA -0.523 51.774 52.037 0.433 0.000 0.731 1062 A CB 1.515 20.729 19.000 0.358 0.000 1.299 1062 A HN 0.898 9.048 8.150 -0.000 0.000 0.413 1063 E N 0.628 121.088 120.200 0.434 0.000 2.122 1063 E HA -0.058 4.266 4.350 -0.044 0.000 0.190 1063 E C -0.150 176.718 176.600 0.447 0.000 0.977 1063 E CA 0.471 57.134 56.400 0.439 0.000 0.820 1063 E CB 0.026 29.925 29.700 0.332 0.000 0.770 1063 E HN 0.763 9.123 8.360 -0.000 0.000 0.462 1064 N N 1.030 119.914 118.700 0.306 0.000 2.405 1064 N HA -0.035 4.678 4.740 -0.044 0.000 0.260 1064 N C 0.958 176.527 175.510 0.098 0.000 1.152 1064 N CA -0.203 52.964 53.050 0.195 0.000 0.948 1064 N CB 1.110 39.708 38.487 0.186 0.000 1.111 1064 N HN 0.039 8.419 8.380 -0.000 0.000 0.485 1065 S N 1.421 116.967 115.700 -0.257 0.000 2.365 1065 S HA -0.269 4.174 4.470 -0.044 0.000 0.225 1065 S C 2.023 176.542 174.600 -0.134 0.000 1.039 1065 S CA 1.587 59.337 58.200 -0.750 0.000 1.033 1065 S CB -0.581 61.890 63.200 -1.216 0.000 0.887 1065 S HN 0.616 8.926 8.310 -0.000 0.000 0.447 1066 S N 1.893 117.682 115.700 0.147 0.000 2.440 1066 S HA -0.118 4.326 4.470 -0.044 0.000 0.238 1066 S C 1.727 176.419 174.600 0.153 0.000 1.010 1066 S CA 1.359 59.757 58.200 0.329 0.000 0.972 1066 S CB -0.496 62.910 63.200 0.344 0.000 0.774 1066 S HN 0.571 8.881 8.310 -0.000 0.000 0.501 1067 K N 1.699 122.231 120.400 0.221 0.000 2.031 1067 K HA 0.172 4.465 4.320 -0.044 0.000 0.205 1067 K C 2.259 178.976 176.600 0.195 0.000 1.049 1067 K CA 1.585 58.012 56.287 0.233 0.000 0.939 1067 K CB -0.814 31.894 32.500 0.346 0.000 0.717 1067 K HN 0.327 8.577 8.250 -0.000 0.000 0.438 1068 S N 0.781 116.587 115.700 0.176 0.000 2.399 1068 S HA -0.123 4.321 4.470 -0.044 0.000 0.231 1068 S C 1.602 176.248 174.600 0.076 0.000 1.022 1068 S CA 1.371 59.661 58.200 0.151 0.000 0.983 1068 S CB -0.536 62.755 63.200 0.152 0.000 0.803 1068 S HN 0.488 8.798 8.310 -0.000 0.000 0.480 1069 N N 1.399 120.125 118.700 0.042 0.000 2.443 1069 N HA -0.090 4.624 4.740 -0.044 0.000 0.184 1069 N C 1.619 177.089 175.510 -0.067 0.000 1.037 1069 N CA 0.878 53.942 53.050 0.024 0.000 0.896 1069 N CB -0.101 38.474 38.487 0.148 0.000 0.959 1069 N HN 0.459 8.839 8.380 -0.000 0.000 0.442 1070 Q N -1.497 118.232 119.800 -0.118 0.000 2.378 1070 Q HA -0.062 4.252 4.340 -0.044 0.000 0.205 1070 Q C 0.366 176.084 176.000 -0.469 0.000 0.954 1070 Q CA 0.799 56.411 55.803 -0.319 0.000 0.901 1070 Q CB 0.171 28.629 28.738 -0.467 0.000 0.981 1070 Q HN 0.614 8.884 8.270 -0.000 0.000 0.483 1071 Y N -1.658 118.541 120.300 -0.168 0.000 2.584 1071 Y HA 0.105 4.630 4.550 -0.042 0.000 0.254 1071 Y C 1.563 177.298 175.900 -0.276 0.000 1.177 1071 Y CA -0.264 57.698 58.100 -0.230 0.000 1.216 1071 Y CB 0.696 38.986 38.460 -0.283 0.000 1.172 1071 Y HN -0.134 8.146 8.280 -0.000 0.000 0.529 1072 V N -0.848 118.951 119.914 -0.192 0.000 2.515 1072 V HA -0.262 3.832 4.120 -0.044 0.000 0.250 1072 V C 0.851 176.699 176.094 -0.410 0.000 1.058 1072 V CA 1.944 64.030 62.300 -0.357 0.000 1.064 1072 V CB -0.332 31.198 31.823 -0.488 0.000 0.675 1072 V HN 0.404 8.594 8.190 -0.000 0.000 0.461 1073 Y N -0.222 120.000 120.300 -0.130 0.000 2.531 1073 Y HA 0.580 5.103 4.550 -0.045 0.000 0.249 1073 Y C 0.973 176.791 175.900 -0.137 0.000 1.168 1073 Y CA -0.040 57.981 58.100 -0.132 0.000 1.226 1073 Y CB 0.422 38.808 38.460 -0.123 0.000 1.177 1073 Y HN 0.261 8.541 8.280 -0.000 0.000 0.527 1074 G N -0.009 108.764 108.800 -0.045 0.000 2.353 1074 G HA2 -0.101 3.833 3.960 -0.044 0.000 0.615 1074 G HA3 -0.101 3.833 3.960 -0.044 0.000 0.615 1074 G C -0.944 173.912 174.900 -0.072 0.000 1.280 1074 G CA -1.164 43.893 45.100 -0.072 0.000 1.000 1074 G HN 0.025 8.315 8.290 -0.000 0.000 0.516 1075 I N 2.043 122.590 120.570 -0.038 0.000 2.752 1075 I HA 0.302 4.446 4.170 -0.044 0.000 0.286 1075 I C 1.674 177.729 176.117 -0.103 0.000 1.180 1075 I CA 1.930 63.207 61.300 -0.038 0.000 1.404 1075 I CB 0.166 38.184 38.000 0.029 0.000 1.389 1075 I HN 2.088 10.298 8.210 -0.000 0.000 0.549 1076 G N 4.633 113.279 108.800 -0.256 0.000 2.176 1076 G HA2 -0.151 3.782 3.960 -0.044 0.000 0.252 1076 G HA3 -0.151 3.782 3.960 -0.044 0.000 0.252 1076 G C 0.966 175.787 174.900 -0.132 0.000 1.024 1076 G CA 0.280 45.283 45.100 -0.162 0.000 0.755 1076 G HN 1.545 9.835 8.290 -0.000 0.000 0.507 1077 G N -1.752 106.943 108.800 -0.175 0.000 2.168 1077 G HA2 0.196 4.130 3.960 -0.044 0.000 0.263 1077 G HA3 0.196 4.130 3.960 -0.044 0.000 0.263 1077 G C 1.911 176.800 174.900 -0.018 0.000 0.977 1077 G CA 0.675 45.729 45.100 -0.075 0.000 0.659 1077 G HN 2.735 11.025 8.290 -0.000 0.000 0.533 1078 G N -0.731 108.048 108.800 -0.035 0.000 2.622 1078 G HA2 -0.103 3.831 3.960 -0.044 0.000 0.307 1078 G HA3 -0.103 3.831 3.960 -0.044 0.000 0.307 1078 G C 1.383 176.255 174.900 -0.046 0.000 1.226 1078 G CA 2.732 47.818 45.100 -0.023 0.000 0.997 1078 G HN 2.130 10.420 8.290 -0.000 0.000 0.551 1079 T N -0.739 113.775 114.554 -0.066 0.000 3.069 1079 T HA 0.555 4.879 4.350 -0.044 0.000 0.252 1079 T C 1.783 176.390 174.700 -0.156 0.000 1.053 1079 T CA 1.292 63.337 62.100 -0.092 0.000 0.964 1079 T CB 0.186 69.008 68.868 -0.077 0.000 1.005 1079 T HN 2.744 10.983 8.240 -0.000 0.000 0.532 1080 G N 1.183 109.860 108.800 -0.206 0.000 2.500 1080 G HA2 -0.131 3.802 3.960 -0.044 0.000 0.209 1080 G HA3 -0.131 3.802 3.960 -0.044 0.000 0.209 1080 G C 0.063 174.476 174.900 -0.813 0.000 1.283 1080 G CA -0.560 44.322 45.100 -0.365 0.000 0.960 1080 G HN 1.366 9.656 8.290 -0.000 0.000 0.528 1081 C N 0.023 118.696 119.300 -1.046 0.000 2.679 1081 C HA 0.553 4.987 4.460 -0.044 0.000 0.417 1081 C C 0.166 174.843 174.990 -0.522 0.000 1.302 1081 C CA -0.200 58.132 59.018 -1.144 0.000 1.973 1081 C CB 0.925 28.331 27.740 -0.557 0.000 2.715 1081 C HN 0.799 9.029 8.230 -0.000 0.000 0.628 1082 P HA -0.047 4.373 4.420 -0.000 0.000 0.226 1082 P C 1.434 178.610 177.300 -0.207 0.000 1.153 1082 P CA 1.063 64.038 63.100 -0.208 0.000 0.777 1082 P CB -0.101 31.526 31.700 -0.122 0.000 0.794 1083 V N -0.409 119.345 119.914 -0.266 0.000 2.379 1083 V HA -0.101 3.993 4.120 -0.044 0.000 0.243 1083 V C 1.765 177.546 176.094 -0.522 0.000 1.035 1083 V CA 1.830 63.882 62.300 -0.413 0.000 1.035 1083 V CB -1.372 30.122 31.823 -0.547 0.000 0.673 1083 V HN 0.183 8.373 8.190 -0.000 0.000 0.457 1084 H N -1.130 117.860 119.070 -0.135 0.000 2.893 1084 H HA 0.321 4.850 4.556 -0.044 0.000 0.270 1084 H C 0.365 175.614 175.328 -0.132 0.000 1.095 1084 H CA -0.455 55.524 56.048 -0.115 0.000 1.186 1084 H CB 0.356 30.055 29.762 -0.104 0.000 1.562 1084 H HN 0.059 8.339 8.280 -0.000 0.000 0.536 1085 K N 1.480 121.824 120.400 -0.095 0.000 3.077 1085 K HA -0.186 4.108 4.320 -0.044 0.000 0.264 1085 K C -0.955 175.572 176.600 -0.121 0.000 1.008 1085 K CA 0.664 56.874 56.287 -0.128 0.000 0.740 1085 K CB -1.261 31.184 32.500 -0.091 0.000 1.273 1085 K HN 0.424 8.674 8.250 -0.000 0.000 0.477 1086 D N 0.257 120.572 120.400 -0.143 0.000 2.425 1086 D HA 0.242 4.856 4.640 -0.044 0.000 0.240 1086 D C 1.012 177.192 176.300 -0.201 0.000 1.080 1086 D CA -0.573 53.338 54.000 -0.149 0.000 0.836 1086 D CB 0.788 41.513 40.800 -0.126 0.000 1.125 1086 D HN 0.028 8.398 8.370 -0.000 0.000 0.525 1087 R N 1.329 121.722 120.500 -0.179 0.000 2.148 1087 R HA -0.007 4.307 4.340 -0.044 0.000 0.223 1087 R C 1.207 177.432 176.300 -0.126 0.000 1.088 1087 R CA 0.468 56.488 56.100 -0.133 0.000 0.985 1087 R CB 0.197 30.388 30.300 -0.182 0.000 0.880 1087 R HN 0.169 8.439 8.270 -0.000 0.000 0.451 1088 S N 0.255 115.832 115.700 -0.205 0.000 2.573 1088 S HA 0.060 4.504 4.470 -0.044 0.000 0.244 1088 S C 0.153 174.356 174.600 -0.661 0.000 0.984 1088 S CA -0.609 57.383 58.200 -0.347 0.000 1.001 1088 S CB -0.413 62.627 63.200 -0.267 0.000 0.788 1088 S HN 0.341 8.651 8.310 -0.000 0.000 0.456 1089 C N 1.842 120.908 119.300 -0.390 0.000 2.596 1089 C HA 0.161 4.595 4.460 -0.044 0.000 0.414 1089 C C 0.937 175.687 174.990 -0.401 0.000 1.396 1089 C CA 0.153 58.960 59.018 -0.353 0.000 1.698 1089 C CB -1.271 26.377 27.740 -0.153 0.000 2.572 1089 C HN 0.706 8.936 8.230 -0.000 0.000 0.604 1090 Y N 4.176 124.446 120.300 -0.050 0.000 2.467 1090 Y HA 0.298 4.823 4.550 -0.043 0.000 0.250 1090 Y C 1.481 177.370 175.900 -0.018 0.000 1.155 1090 Y CA -0.003 58.079 58.100 -0.029 0.000 1.249 1090 Y CB -0.275 38.170 38.460 -0.025 0.000 1.146 1090 Y HN 0.603 8.883 8.280 -0.000 0.000 0.524 1091 I N -2.049 118.559 120.570 0.063 0.000 2.962 1091 I HA -0.016 4.128 4.170 -0.044 0.000 0.246 1091 I C 0.590 176.794 176.117 0.144 0.000 1.091 1091 I CA 0.074 61.422 61.300 0.080 0.000 1.469 1091 I CB -0.311 37.688 38.000 -0.002 0.000 1.324 1091 I HN -0.095 8.115 8.210 -0.000 0.000 0.461 1092 C N 1.873 121.250 119.300 0.130 0.000 2.665 1092 C HA 0.002 4.436 4.460 -0.044 0.000 0.416 1092 C C 0.663 175.763 174.990 0.182 0.000 1.305 1092 C CA -0.139 58.959 59.018 0.132 0.000 1.903 1092 C CB -1.085 26.725 27.740 0.117 0.000 2.704 1092 C HN 0.327 8.557 8.230 -0.000 0.000 0.629 1093 H N 2.265 121.315 119.070 -0.034 0.000 2.742 1093 H HA 0.262 4.791 4.556 -0.044 0.000 0.302 1093 H C 0.277 175.484 175.328 -0.201 0.000 1.069 1093 H CA -0.241 55.736 56.048 -0.117 0.000 1.446 1093 H CB 0.633 30.357 29.762 -0.063 0.000 1.462 1093 H HN 0.564 8.844 8.280 -0.000 0.000 0.499 1094 R N 2.460 122.719 120.500 -0.401 0.000 2.596 1094 R HA 0.342 4.656 4.340 -0.044 0.000 0.267 1094 R C -0.423 175.545 176.300 -0.552 0.000 1.026 1094 R CA -0.786 54.928 56.100 -0.644 0.000 1.087 1094 R CB 1.322 30.959 30.300 -1.104 0.000 1.132 1094 R HN 0.626 8.896 8.270 -0.000 0.000 0.531 1095 Q N 1.358 120.995 119.800 -0.273 0.000 2.285 1095 Q HA 0.436 4.749 4.340 -0.044 0.000 0.269 1095 Q C -1.247 174.816 176.000 0.104 0.000 1.030 1095 Q CA -0.517 55.283 55.803 -0.004 0.000 0.788 1095 Q CB 2.571 31.304 28.738 -0.008 0.000 1.266 1095 Q HN 0.331 8.601 8.270 -0.000 0.000 0.438 1096 L N 3.018 124.368 121.223 0.212 0.000 2.354 1096 L HA 0.599 4.913 4.340 -0.044 0.000 0.269 1096 L C -0.934 176.043 176.870 0.178 0.000 1.005 1096 L CA -0.972 53.961 54.840 0.154 0.000 0.819 1096 L CB 1.792 43.866 42.059 0.024 0.000 1.311 1096 L HN 0.452 8.682 8.230 -0.000 0.000 0.423 1097 L N 2.440 123.812 121.223 0.248 0.000 2.317 1097 L HA 0.402 4.716 4.340 -0.044 0.000 0.281 1097 L C -1.042 176.072 176.870 0.406 0.000 1.024 1097 L CA -0.461 54.551 54.840 0.287 0.000 0.810 1097 L CB 1.902 44.135 42.059 0.290 0.000 1.240 1097 L HN 0.350 8.580 8.230 -0.000 0.000 0.427 1098 F N 3.173 123.201 119.950 0.131 0.000 2.347 1098 F HA 0.430 4.931 4.527 -0.044 0.000 0.366 1098 F C -0.243 175.583 175.800 0.044 0.000 1.107 1098 F CA -1.215 56.766 58.000 -0.031 0.000 1.058 1098 F CB 0.583 39.546 39.000 -0.061 0.000 1.236 1098 F HN 0.352 8.652 8.300 -0.000 0.000 0.456 1099 C N 5.159 124.399 119.300 -0.100 0.000 2.391 1099 C HA 0.556 4.990 4.460 -0.044 0.000 0.339 1099 C C 0.372 175.147 174.990 -0.357 0.000 1.205 1099 C CA -1.103 57.834 59.018 -0.135 0.000 1.937 1099 C CB 1.447 29.237 27.740 0.084 0.000 2.341 1099 C HN 0.800 9.030 8.230 -0.000 0.000 0.516 1100 R N 1.609 121.927 120.500 -0.304 0.000 2.210 1100 R HA 0.542 4.856 4.340 -0.044 0.000 0.338 1100 R C -1.281 174.763 176.300 -0.426 0.000 1.062 1100 R CA 0.041 55.952 56.100 -0.315 0.000 0.902 1100 R CB 0.275 30.473 30.300 -0.171 0.000 1.050 1100 R HN 0.689 8.959 8.270 -0.000 0.000 0.461 1101 V N 3.867 123.558 119.914 -0.372 0.000 2.495 1101 V HA 0.263 4.357 4.120 -0.044 0.000 0.298 1101 V C -0.102 175.866 176.094 -0.209 0.000 1.031 1101 V CA -0.753 61.293 62.300 -0.423 0.000 0.871 1101 V CB 2.110 33.483 31.823 -0.750 0.000 0.988 1101 V HN 0.745 8.935 8.190 -0.000 0.000 0.432 1102 T N 6.230 120.738 114.554 -0.076 0.000 2.762 1102 T HA 0.399 4.723 4.350 -0.044 0.000 0.303 1102 T C 1.099 175.694 174.700 -0.176 0.000 0.977 1102 T CA -0.139 61.889 62.100 -0.120 0.000 0.961 1102 T CB 0.588 69.376 68.868 -0.132 0.000 0.944 1102 T HN 0.446 8.686 8.240 -0.000 0.000 0.481 1103 L N 2.586 123.677 121.223 -0.219 0.000 2.249 1103 L HA 0.209 4.523 4.340 -0.044 0.000 0.207 1103 L C 2.075 178.882 176.870 -0.105 0.000 1.090 1103 L CA 0.504 55.248 54.840 -0.161 0.000 0.802 1103 L CB -0.804 41.128 42.059 -0.212 0.000 0.947 1103 L HN 0.925 9.155 8.230 -0.000 0.000 0.453 1104 G N 0.886 109.535 108.800 -0.251 0.000 2.634 1104 G HA2 -0.417 3.517 3.960 -0.044 0.000 0.309 1104 G HA3 -0.417 3.517 3.960 -0.044 0.000 0.309 1104 G C 0.246 175.102 174.900 -0.074 0.000 1.265 1104 G CA 0.262 45.167 45.100 -0.324 0.000 0.998 1104 G HN 0.284 8.574 8.290 -0.000 0.000 0.551 1105 K N 0.935 121.478 120.400 0.238 0.000 2.292 1105 K HA 0.461 4.754 4.320 -0.044 0.000 0.290 1105 K C -0.026 176.741 176.600 0.278 0.000 1.083 1105 K CA 0.398 56.805 56.287 0.200 0.000 0.918 1105 K CB 0.193 32.749 32.500 0.093 0.000 1.089 1105 K HN 0.446 8.696 8.250 -0.000 0.000 0.473 1106 S N 4.121 119.966 115.700 0.241 0.000 2.508 1106 S HA 0.283 4.727 4.470 -0.044 0.000 0.284 1106 S C -0.896 173.928 174.600 0.372 0.000 1.192 1106 S CA -0.744 57.629 58.200 0.288 0.000 1.070 1106 S CB 0.309 63.625 63.200 0.194 0.000 1.004 1106 S HN 0.497 8.807 8.310 -0.000 0.000 0.493 1107 F N 6.208 126.261 119.950 0.170 0.000 2.421 1107 F HA 0.438 4.940 4.527 -0.042 0.000 0.358 1107 F C -0.409 175.394 175.800 0.004 0.000 1.115 1107 F CA -0.706 57.282 58.000 -0.018 0.000 1.160 1107 F CB 0.326 39.119 39.000 -0.346 0.000 1.123 1107 F HN 0.419 8.719 8.300 -0.000 0.000 0.508 1108 L N 6.077 127.107 121.223 -0.322 0.000 2.313 1108 L HA 0.275 4.589 4.340 -0.044 0.000 0.282 1108 L C -0.447 176.305 176.870 -0.197 0.000 1.092 1108 L CA -0.454 54.250 54.840 -0.227 0.000 0.831 1108 L CB 0.841 42.799 42.059 -0.169 0.000 1.159 1108 L HN 0.577 8.807 8.230 -0.000 0.000 0.442 1109 Q N 3.519 123.303 119.800 -0.027 0.000 2.341 1109 Q HA 0.450 4.764 4.340 -0.044 0.000 0.268 1109 Q C -1.327 174.758 176.000 0.140 0.000 1.013 1109 Q CA -0.200 55.729 55.803 0.211 0.000 0.798 1109 Q CB 1.190 30.156 28.738 0.381 0.000 1.253 1109 Q HN 0.353 8.623 8.270 -0.000 0.000 0.457 1110 F N 2.177 122.179 119.950 0.087 0.000 2.396 1110 F HA 0.641 5.142 4.527 -0.043 0.000 0.343 1110 F C 0.740 176.619 175.800 0.132 0.000 1.104 1110 F CA 0.061 58.108 58.000 0.078 0.000 1.161 1110 F CB 1.464 40.489 39.000 0.043 0.000 1.146 1110 F HN 0.682 8.982 8.300 -0.000 0.000 0.522 1117 H N 0.177 119.168 119.070 -0.132 0.000 2.670 1117 H HA 0.650 5.184 4.556 -0.035 0.000 0.361 1117 H C 0.328 175.222 175.328 -0.725 0.000 1.169 1117 H CA 0.081 55.973 56.048 -0.260 0.000 1.198 1117 H CB 1.742 31.409 29.762 -0.159 0.000 1.700 1117 H HN 0.794 9.074 8.280 -0.000 0.000 0.542 1118 S N 1.618 117.044 115.700 -0.457 0.000 2.617 1118 S HA 0.304 4.747 4.470 -0.044 0.000 0.269 1118 S C -2.452 171.955 174.600 -0.321 0.000 1.292 1118 S CA -1.435 56.434 58.200 -0.551 0.000 1.010 1118 S CB 0.546 63.690 63.200 -0.093 0.000 0.944 1118 S HN 0.378 8.688 8.310 -0.000 0.000 0.536 1119 P HA 0.200 4.620 4.420 -0.000 0.000 0.265 1119 P C -2.502 174.756 177.300 -0.070 0.000 1.187 1119 P CA -0.722 62.175 63.100 -0.337 0.000 0.766 1119 P CB -0.679 30.585 31.700 -0.727 0.000 0.820 1120 P HA 0.047 4.467 4.420 -0.000 0.000 0.265 1120 P C 0.895 178.288 177.300 0.155 0.000 1.193 1120 P CA 1.168 64.282 63.100 0.023 0.000 0.765 1120 P CB 0.153 31.849 31.700 -0.007 0.000 0.823 1121 G N 0.937 109.744 108.800 0.011 0.000 2.153 1121 G HA2 -0.220 3.714 3.960 -0.044 0.000 0.252 1121 G HA3 -0.220 3.714 3.960 -0.044 0.000 0.252 1121 G C -0.127 174.588 174.900 -0.307 0.000 0.994 1121 G CA 0.066 45.101 45.100 -0.109 0.000 0.698 1121 G HN 0.683 8.973 8.290 -0.000 0.000 0.521 1122 H N -2.791 116.159 119.070 -0.200 0.000 2.894 1122 H HA 0.728 5.258 4.556 -0.044 0.000 0.368 1122 H C 0.589 175.687 175.328 -0.383 0.000 1.181 1122 H CA -0.614 55.329 56.048 -0.175 0.000 1.146 1122 H CB 1.301 31.093 29.762 0.050 0.000 1.839 1122 H HN 0.208 8.488 8.280 -0.000 0.000 0.557 1123 H N -1.154 118.021 119.070 0.176 0.000 3.058 1123 H HA 0.320 4.849 4.556 -0.045 0.000 0.258 1123 H C -0.029 175.399 175.328 0.167 0.000 1.015 1123 H CA 0.518 56.633 56.048 0.113 0.000 1.210 1123 H CB 0.891 30.663 29.762 0.018 0.000 1.481 1123 H HN 0.523 8.803 8.280 -0.000 0.000 0.492 1124 S N -0.690 115.192 115.700 0.303 0.000 2.727 1124 S HA 0.623 5.067 4.470 -0.044 0.000 0.278 1124 S C -1.338 173.445 174.600 0.305 0.000 1.186 1124 S CA -0.919 57.455 58.200 0.290 0.000 0.836 1124 S CB 1.825 65.122 63.200 0.161 0.000 1.186 1124 S HN -0.107 8.203 8.310 -0.000 0.000 0.499 1125 V N 1.120 121.188 119.914 0.256 0.000 2.588 1125 V HA 0.631 4.725 4.120 -0.044 0.000 0.304 1125 V C -0.587 175.511 176.094 0.006 0.000 1.042 1125 V CA -0.428 61.984 62.300 0.186 0.000 0.877 1125 V CB 1.937 33.891 31.823 0.217 0.000 0.996 1125 V HN 1.015 9.205 8.190 -0.000 0.000 0.425 1126 T N 3.370 117.892 114.554 -0.054 0.000 2.743 1126 T HA 0.422 4.746 4.350 -0.044 0.000 0.292 1126 T C 0.536 174.909 174.700 -0.544 0.000 0.972 1126 T CA -0.200 61.729 62.100 -0.286 0.000 0.967 1126 T CB 1.181 69.990 68.868 -0.099 0.000 0.926 1126 T HN 0.932 9.172 8.240 -0.000 0.000 0.459 1127 G N 3.697 111.992 108.800 -0.841 0.000 2.639 1127 G HA2 0.241 4.175 3.960 -0.044 0.000 0.312 1127 G HA3 0.241 4.175 3.960 -0.044 0.000 0.312 1127 G C 0.136 174.783 174.900 -0.422 0.000 0.911 1127 G CA -0.616 43.978 45.100 -0.843 0.000 1.410 1127 G HN 0.576 8.866 8.290 -0.000 0.000 0.469 1128 R N 3.345 123.636 120.500 -0.349 0.000 2.316 1128 R HA 0.169 4.483 4.340 -0.044 0.000 0.314 1128 R C -2.321 173.890 176.300 -0.148 0.000 1.069 1128 R CA -1.310 54.588 56.100 -0.336 0.000 0.959 1128 R CB 1.030 30.930 30.300 -0.666 0.000 0.987 1128 R HN 0.339 8.609 8.270 -0.000 0.000 0.446 1129 P HA 0.004 4.424 4.420 -0.000 0.000 0.276 1129 P C 0.051 177.373 177.300 0.036 0.000 1.253 1129 P CA 0.001 63.106 63.100 0.010 0.000 0.766 1129 P CB 1.300 33.005 31.700 0.009 0.000 0.845 1130 S N 2.040 117.795 115.700 0.092 0.000 2.663 1130 S HA 0.192 4.636 4.470 -0.044 0.000 0.243 1130 S C 0.793 175.450 174.600 0.095 0.000 1.009 1130 S CA 0.210 58.487 58.200 0.129 0.000 0.988 1130 S CB -0.542 62.784 63.200 0.209 0.000 0.896 1130 S HN 0.237 8.547 8.310 -0.000 0.000 0.502 1131 V N -2.035 117.921 119.914 0.070 0.000 3.415 1131 V HA 0.455 4.549 4.120 -0.044 0.000 0.204 1131 V C 0.437 176.552 176.094 0.035 0.000 1.365 1131 V CA 0.065 62.397 62.300 0.053 0.000 1.310 1131 V CB -0.985 30.869 31.823 0.053 0.000 1.231 1131 V HN 0.404 8.594 8.190 -0.000 0.000 0.538 1132 N N 2.782 121.498 118.700 0.028 0.000 2.421 1132 N HA 0.229 4.943 4.740 -0.044 0.000 0.260 1132 N C 1.202 176.715 175.510 0.004 0.000 1.173 1132 N CA 0.582 53.636 53.050 0.006 0.000 0.960 1132 N CB 0.892 39.373 38.487 -0.009 0.000 1.273 1132 N HN 0.546 8.926 8.380 -0.000 0.000 0.497 1133 G N 2.528 111.332 108.800 0.006 0.000 2.687 1133 G HA2 -0.086 3.847 3.960 -0.044 0.000 0.209 1133 G HA3 -0.086 3.847 3.960 -0.044 0.000 0.209 1133 G C 0.974 175.873 174.900 -0.001 0.000 1.146 1133 G CA 0.463 45.568 45.100 0.008 0.000 0.787 1133 G HN 0.647 8.937 8.290 -0.000 0.000 0.532 1134 L N -0.761 120.454 121.223 -0.014 0.000 3.039 1134 L HA 0.390 4.704 4.340 -0.044 0.000 0.269 1134 L C 1.467 178.321 176.870 -0.026 0.000 1.169 1134 L CA -0.368 54.459 54.840 -0.021 0.000 0.986 1134 L CB 0.421 42.458 42.059 -0.037 0.000 1.377 1134 L HN 0.142 8.372 8.230 -0.000 0.000 0.575 1135 A N 1.073 123.877 122.820 -0.025 0.000 2.445 1135 A HA 0.519 4.813 4.320 -0.044 0.000 0.242 1135 A C -0.049 177.541 177.584 0.009 0.000 1.075 1135 A CA 0.021 52.047 52.037 -0.018 0.000 0.777 1135 A CB 0.277 19.273 19.000 -0.006 0.000 1.013 1135 A HN 0.186 8.336 8.150 -0.000 0.000 0.493 1136 L N 0.637 121.881 121.223 0.034 0.000 2.376 1136 L HA 0.658 4.972 4.340 -0.044 0.000 0.267 1136 L C 0.967 177.850 176.870 0.021 0.000 1.035 1136 L CA -0.850 54.021 54.840 0.051 0.000 0.800 1136 L CB 1.078 43.200 42.059 0.105 0.000 1.290 1136 L HN 0.800 9.030 8.230 -0.000 0.000 0.462 1137 A N 0.190 123.000 122.820 -0.017 0.000 2.366 1137 A HA 0.401 4.695 4.320 -0.044 0.000 0.249 1137 A C -0.395 177.043 177.584 -0.243 0.000 1.084 1137 A CA -0.163 51.742 52.037 -0.219 0.000 0.794 1137 A CB 0.241 19.013 19.000 -0.380 0.000 1.034 1137 A HN 0.745 8.895 8.150 -0.000 0.000 0.491 1138 E N -0.791 119.137 120.200 -0.454 0.000 2.256 1138 E HA 0.567 4.890 4.350 -0.044 0.000 0.267 1138 E C -1.869 174.315 176.600 -0.694 0.000 0.892 1138 E CA -0.253 55.976 56.400 -0.284 0.000 0.775 1138 E CB 1.881 31.589 29.700 0.014 0.000 1.207 1138 E HN 0.602 8.962 8.360 -0.000 0.000 0.420 1139 Y N -0.234 120.053 120.300 -0.021 0.000 2.545 1139 Y HA 0.525 5.047 4.550 -0.046 0.000 0.348 1139 Y C -0.562 175.246 175.900 -0.153 0.000 1.002 1139 Y CA -1.010 57.033 58.100 -0.096 0.000 1.039 1139 Y CB 1.900 40.337 38.460 -0.038 0.000 1.271 1139 Y HN 0.169 8.449 8.280 -0.000 0.000 0.467 1140 V N 4.187 124.033 119.914 -0.114 0.000 2.525 1140 V HA 0.490 4.584 4.120 -0.044 0.000 0.299 1140 V C -0.517 175.386 176.094 -0.317 0.000 1.034 1140 V CA -0.792 61.269 62.300 -0.399 0.000 0.863 1140 V CB 1.384 32.808 31.823 -0.665 0.000 0.999 1140 V HN 0.642 8.832 8.190 -0.000 0.000 0.423 1141 I N 0.921 121.321 120.570 -0.283 0.000 2.525 1141 I HA 0.602 4.746 4.170 -0.044 0.000 0.301 1141 I C -0.347 175.507 176.117 -0.438 0.000 0.992 1141 I CA -0.441 60.733 61.300 -0.210 0.000 1.162 1141 I CB 1.587 39.550 38.000 -0.061 0.000 1.332 1141 I HN 0.501 8.711 8.210 -0.000 0.000 0.458 1142 Y N 2.949 123.289 120.300 0.067 0.000 2.584 1142 Y HA 0.458 4.979 4.550 -0.048 0.000 0.254 1142 Y C 0.292 176.229 175.900 0.061 0.000 1.177 1142 Y CA -0.406 57.730 58.100 0.059 0.000 1.216 1142 Y CB 0.408 38.892 38.460 0.039 0.000 1.172 1142 Y HN 0.385 8.665 8.280 -0.000 0.000 0.529 1143 R N -0.433 120.155 120.500 0.146 0.000 2.514 1143 R HA 0.308 4.622 4.340 -0.044 0.000 0.296 1143 R C 0.875 177.247 176.300 0.120 0.000 1.012 1143 R CA -0.291 55.889 56.100 0.133 0.000 0.897 1143 R CB 1.722 32.101 30.300 0.132 0.000 1.184 1143 R HN 0.350 8.620 8.270 -0.000 0.000 0.440 1144 G N 1.873 110.765 108.800 0.152 0.000 2.448 1144 G HA2 -0.247 3.687 3.960 -0.044 0.000 0.219 1144 G HA3 -0.247 3.687 3.960 -0.044 0.000 0.219 1144 G C 0.794 175.830 174.900 0.227 0.000 1.127 1144 G CA 0.584 45.814 45.100 0.216 0.000 0.766 1144 G HN 0.541 8.831 8.290 -0.000 0.000 0.552 1145 E N 0.449 120.760 120.200 0.185 0.000 2.204 1145 E HA -0.095 4.229 4.350 -0.044 0.000 0.195 1145 E C 2.339 179.080 176.600 0.235 0.000 0.990 1145 E CA 0.694 57.210 56.400 0.193 0.000 0.821 1145 E CB -0.155 29.625 29.700 0.133 0.000 0.750 1145 E HN 0.476 8.836 8.360 -0.000 0.000 0.477 1146 Q N -0.334 119.559 119.800 0.156 0.000 2.541 1146 Q HA 0.117 4.431 4.340 -0.044 0.000 0.215 1146 Q C -0.342 175.742 176.000 0.140 0.000 0.977 1146 Q CA 0.341 56.220 55.803 0.126 0.000 0.934 1146 Q CB 0.270 29.024 28.738 0.027 0.000 0.988 1146 Q HN 0.155 8.425 8.270 -0.000 0.000 0.521 1147 A N 0.022 122.900 122.820 0.097 0.000 2.515 1147 A HA 0.523 4.816 4.320 -0.044 0.000 0.298 1147 A C -2.062 175.481 177.584 -0.068 0.000 1.059 1147 A CA -0.558 51.361 52.037 -0.195 0.000 0.698 1147 A CB 1.058 19.768 19.000 -0.483 0.000 1.289 1147 A HN 0.209 8.359 8.150 -0.000 0.000 0.404 1148 Y N 3.450 123.479 120.300 -0.450 0.000 2.331 1148 Y HA 0.572 5.096 4.550 -0.043 0.000 0.334 1148 Y C -2.407 173.474 175.900 -0.032 0.000 0.960 1148 Y CA -2.556 55.401 58.100 -0.239 0.000 1.130 1148 Y CB 2.448 40.675 38.460 -0.389 0.000 1.164 1148 Y HN 0.461 8.741 8.280 -0.000 0.000 0.458 1149 P HA 0.068 4.488 4.420 -0.000 0.000 0.263 1149 P C 0.022 176.993 177.300 -0.550 0.000 1.601 1149 P CA 0.378 63.228 63.100 -0.417 0.000 1.161 1149 P CB 0.826 32.230 31.700 -0.494 0.000 1.730 1150 E N 1.624 121.656 120.200 -0.280 0.000 2.028 1150 E HA -0.100 4.224 4.350 -0.044 0.000 0.191 1150 E C -0.108 176.219 176.600 -0.455 0.000 0.988 1150 E CA 1.512 57.742 56.400 -0.282 0.000 0.799 1150 E CB -0.033 29.490 29.700 -0.295 0.000 0.755 1150 E HN 0.508 8.868 8.360 -0.000 0.000 0.447 1151 Y N -0.543 119.773 120.300 0.026 0.000 2.391 1151 Y HA 0.341 4.865 4.550 -0.043 0.000 0.341 1151 Y C -0.431 175.501 175.900 0.053 0.000 0.965 1151 Y CA -0.984 57.152 58.100 0.059 0.000 1.067 1151 Y CB 1.576 40.121 38.460 0.142 0.000 1.199 1151 Y HN -0.113 8.167 8.280 -0.000 0.000 0.450 1152 L N 5.254 126.579 121.223 0.170 0.000 2.276 1152 L HA 0.626 4.940 4.340 -0.044 0.000 0.286 1152 L C -1.307 175.623 176.870 0.099 0.000 1.024 1152 L CA -0.280 54.623 54.840 0.106 0.000 0.826 1152 L CB 0.110 42.195 42.059 0.043 0.000 1.211 1152 L HN 0.532 8.762 8.230 -0.000 0.000 0.422 1153 I N 4.503 125.123 120.570 0.085 0.000 2.321 1153 I HA 0.341 4.485 4.170 -0.044 0.000 0.291 1153 I C 0.018 176.207 176.117 0.120 0.000 0.998 1153 I CA -0.149 61.167 61.300 0.026 0.000 1.227 1153 I CB 1.560 39.499 38.000 -0.100 0.000 1.368 1153 I HN 0.550 8.760 8.210 -0.000 0.000 0.466 1154 T N 6.515 121.125 114.554 0.093 0.000 2.767 1154 T HA 0.593 4.917 4.350 -0.044 0.000 0.284 1154 T C -0.746 174.002 174.700 0.080 0.000 0.973 1154 T CA -0.372 61.770 62.100 0.069 0.000 0.996 1154 T CB 0.595 69.483 68.868 0.033 0.000 0.927 1154 T HN 0.552 8.792 8.240 -0.000 0.000 0.456 1155 Y N 0.418 120.613 120.300 -0.175 0.000 2.764 1155 Y HA 0.698 5.221 4.550 -0.045 0.000 0.331 1155 Y C -1.531 174.281 175.900 -0.147 0.000 1.280 1155 Y CA -1.527 56.461 58.100 -0.187 0.000 1.065 1155 Y CB 1.320 39.628 38.460 -0.253 0.000 1.319 1155 Y HN 0.432 8.712 8.280 -0.000 0.000 0.453 1156 Q N 2.054 121.830 119.800 -0.039 0.000 2.372 1156 Q HA 0.585 4.898 4.340 -0.044 0.000 0.273 1156 Q C -1.011 175.080 176.000 0.152 0.000 1.078 1156 Q CA -1.154 54.622 55.803 -0.044 0.000 0.806 1156 Q CB 3.418 32.164 28.738 0.012 0.000 1.332 1156 Q HN 0.738 9.008 8.270 -0.000 0.000 0.435 1157 I N -1.527 119.070 120.570 0.045 0.000 2.638 1157 I HA 0.401 4.545 4.170 -0.044 0.000 0.286 1157 I C -0.484 175.757 176.117 0.207 0.000 1.088 1157 I CA -0.350 60.917 61.300 -0.054 0.000 1.397 1157 I CB 0.536 38.212 38.000 -0.540 0.000 1.414 1157 I HN 0.443 8.653 8.210 -0.000 0.000 0.566 1158 M N 5.029 124.753 119.600 0.206 0.000 2.294 1158 M HA 0.399 4.853 4.480 -0.044 0.000 0.335 1158 M C -0.061 176.277 176.300 0.062 0.000 1.079 1158 M CA -0.603 54.787 55.300 0.150 0.000 0.982 1158 M CB 1.787 34.432 32.600 0.074 0.000 1.651 1158 M HN 0.619 8.909 8.290 -0.000 0.000 0.437 1159 R N 4.035 124.302 120.500 -0.388 0.000 2.473 1159 R HA 0.142 4.456 4.340 -0.044 0.000 0.315 1159 R C -2.311 173.859 176.300 -0.218 0.000 0.972 1159 R CA -0.962 54.750 56.100 -0.647 0.000 1.047 1159 R CB -0.003 29.730 30.300 -0.945 0.000 0.932 1159 R HN 0.286 8.556 8.270 -0.000 0.000 0.411 1160 P HA -0.017 4.403 4.420 -0.000 0.000 0.268 1160 P C -0.693 176.566 177.300 -0.069 0.000 1.204 1160 P CA 0.177 63.246 63.100 -0.052 0.000 0.768 1160 P CB 0.708 32.394 31.700 -0.023 0.000 0.842 1161 E N 0.000 120.168 120.200 -0.053 0.000 2.725 1161 E HA 0.000 4.324 4.350 -0.044 0.000 0.291 1161 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 1161 E CB 0.000 29.677 29.700 -0.038 0.000 0.812 1161 E HN 0.000 8.360 8.360 -0.000 0.000 0.440