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 2kgs_1_A DATA FIRST_RESID 73 DATA SEQUENCE GASALSLSLL SISRSGNTVT LIGDFPDEAA KAALMTALNG LLAPGVNVID DATA SEQUENCE QIHVDPVVRS LDFSSAEPVF TASVPIPDFG LKVERDTVTL TGTAPSSEHK DATA SEQUENCE DAVKRAATST WPDMKIVNNI EVTGQAPPGP PA 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 73 G HA2 0.000 nan 3.960 nan 0.000 0.244 73 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 73 G C 0.000 174.904 174.900 0.007 0.000 0.946 73 G CA 0.000 45.106 45.100 0.010 0.000 0.502 74 A N -0.583 122.240 122.820 0.005 0.000 2.511 74 A HA -0.164 4.157 4.320 0.002 0.000 0.297 74 A C -1.046 176.540 177.584 0.003 0.000 1.476 74 A CA 0.876 52.915 52.037 0.003 0.000 0.757 74 A CB -0.772 18.230 19.000 0.003 0.000 1.072 74 A HN 0.005 8.158 8.150 0.005 0.000 0.413 75 S N -3.005 112.697 115.700 0.003 0.000 2.625 75 S HA 0.133 4.604 4.470 0.002 0.000 0.271 75 S C -1.898 172.701 174.600 -0.001 0.000 1.161 75 S CA -0.545 57.656 58.200 0.002 0.000 0.820 75 S CB 1.320 64.523 63.200 0.005 0.000 1.137 75 S HN -0.133 8.179 8.310 0.002 0.000 0.470 76 A N 1.003 123.822 122.820 -0.002 0.000 2.594 76 A HA 0.414 4.915 4.320 -0.009 -0.186 0.295 76 A C -1.922 175.659 177.584 -0.005 0.000 1.071 76 A CA -0.114 51.920 52.037 -0.006 0.000 0.685 76 A CB 1.784 20.780 19.000 -0.008 0.000 1.285 76 A HN 0.238 8.387 8.150 -0.000 0.000 0.405 77 L N -0.710 120.507 121.223 -0.009 0.000 2.322 77 L HA 0.311 4.649 4.340 -0.003 0.000 0.252 77 L C -1.358 175.504 176.870 -0.014 0.000 1.055 77 L CA -0.407 54.428 54.840 -0.008 0.000 0.849 77 L CB 2.854 44.909 42.059 -0.006 0.000 1.446 77 L HN -0.221 8.000 8.230 -0.015 0.000 0.416 78 S N -0.286 115.408 115.700 -0.010 0.000 2.665 78 S HA 0.260 4.718 4.470 -0.019 0.000 0.235 78 S C -0.224 174.369 174.600 -0.010 0.000 1.084 78 S CA -0.798 57.395 58.200 -0.012 0.000 1.151 78 S CB -0.191 63.005 63.200 -0.007 0.000 1.151 78 S HN 0.099 8.406 8.310 -0.004 0.000 0.461 79 L N 0.797 122.010 121.223 -0.016 0.000 2.473 79 L HA -0.005 4.426 4.340 0.007 -0.088 0.265 79 L C 0.763 177.618 176.870 -0.026 0.000 1.243 79 L CA 0.819 55.652 54.840 -0.013 0.000 0.822 79 L CB 0.407 42.452 42.059 -0.023 0.000 1.101 79 L HN -0.206 7.912 8.230 -0.022 0.098 0.507 80 S N -1.442 114.245 115.700 -0.023 0.000 2.540 80 S HA -0.237 4.211 4.470 -0.038 0.000 0.272 80 S C -0.888 173.651 174.600 -0.101 0.000 1.357 80 S CA 1.522 59.687 58.200 -0.058 0.000 1.011 80 S CB 0.527 63.675 63.200 -0.087 0.000 0.852 80 S HN 0.306 8.510 8.310 0.003 0.108 0.535 81 L N -1.501 119.651 121.223 -0.118 0.000 2.317 81 L HA 0.984 5.448 4.340 -0.118 -0.195 0.281 81 L C -1.906 174.856 176.870 -0.179 0.000 1.024 81 L CA -1.272 53.493 54.840 -0.125 0.000 0.810 81 L CB 2.157 44.164 42.059 -0.087 0.000 1.240 81 L HN 0.012 8.178 8.230 -0.107 0.000 0.427 82 L N 1.342 122.472 121.223 -0.156 0.000 2.556 82 L HA 0.547 4.781 4.340 -0.176 0.000 0.257 82 L C -2.187 174.640 176.870 -0.072 0.000 0.955 82 L CA -0.506 54.240 54.840 -0.157 0.000 0.850 82 L CB 4.504 46.440 42.059 -0.206 0.000 1.398 82 L HN 0.504 8.662 8.230 -0.120 0.000 0.412 83 S N 0.869 116.534 115.700 -0.057 0.000 2.570 83 S HA 0.894 5.491 4.470 -0.031 -0.146 0.270 83 S C -2.487 172.088 174.600 -0.041 0.000 1.149 83 S CA -1.000 57.174 58.200 -0.045 0.000 0.837 83 S CB 3.412 66.578 63.200 -0.057 0.000 1.124 83 S HN 1.004 9.275 8.310 -0.065 0.000 0.465 84 I N 0.654 121.195 120.570 -0.048 0.000 2.722 84 I HA 0.873 5.204 4.170 -0.037 -0.183 0.295 84 I C -2.697 173.375 176.117 -0.074 0.000 1.161 84 I CA -1.494 59.782 61.300 -0.041 0.000 1.032 84 I CB 4.197 42.193 38.000 -0.007 0.000 1.244 84 I HN 0.866 9.039 8.210 -0.063 0.000 0.421 85 S N 6.307 121.977 115.700 -0.049 0.000 2.546 85 S HA 0.680 5.207 4.470 -0.117 -0.127 0.274 85 S C -2.088 172.514 174.600 0.004 0.000 1.121 85 S CA -1.087 57.079 58.200 -0.056 0.000 0.887 85 S CB 3.385 66.551 63.200 -0.057 0.000 1.094 85 S HN 0.852 9.145 8.310 -0.028 0.000 0.474 86 R N 2.529 123.052 120.500 0.038 0.000 2.664 86 R HA 0.512 5.017 4.340 0.067 -0.124 0.286 86 R C -1.392 174.945 176.300 0.060 0.000 0.967 86 R CA -1.204 54.947 56.100 0.084 0.000 0.933 86 R CB 3.690 34.102 30.300 0.186 0.000 1.146 86 R HN 0.806 9.085 8.270 0.015 0.000 0.468 87 S N 4.868 120.598 115.700 0.050 0.000 2.399 87 S HA 0.388 4.880 4.470 0.037 0.000 0.198 87 S C -0.510 174.111 174.600 0.035 0.000 1.294 87 S CA -0.775 57.447 58.200 0.036 0.000 1.237 87 S CB 0.348 63.561 63.200 0.021 0.000 1.286 87 S HN 0.727 9.067 8.310 0.050 0.000 0.404 88 G N 3.303 112.131 108.800 0.045 0.000 4.766 88 G HA2 -0.549 3.434 3.960 0.039 0.000 0.314 88 G HA3 -0.549 3.427 3.960 0.027 0.000 0.314 88 G C -1.329 173.591 174.900 0.034 0.000 1.427 88 G CA 1.728 46.850 45.100 0.036 0.000 1.024 88 G HN 0.462 8.788 8.290 0.060 0.000 0.754 89 N N 3.352 122.066 118.700 0.024 0.000 2.416 89 N HA 0.311 5.064 4.740 0.021 0.000 0.267 89 N C -1.706 173.814 175.510 0.015 0.000 1.294 89 N CA -0.359 52.702 53.050 0.019 0.000 0.891 89 N CB 1.939 40.434 38.487 0.013 0.000 1.238 89 N HN -0.238 8.154 8.380 0.021 0.000 0.508 90 T N 0.942 115.508 114.554 0.020 0.000 2.952 90 T HA 0.392 4.924 4.350 0.009 -0.176 0.305 90 T C -2.351 172.362 174.700 0.022 0.000 1.064 90 T CA 0.232 62.341 62.100 0.015 0.000 1.008 90 T CB 3.127 72.001 68.868 0.011 0.000 1.078 90 T HN -0.631 7.552 8.240 0.027 0.074 0.459 91 V N 6.145 126.067 119.914 0.014 0.000 2.789 91 V HA 0.709 4.982 4.120 0.028 -0.137 0.311 91 V C -2.471 173.622 176.094 -0.002 0.000 1.073 91 V CA -2.283 60.026 62.300 0.016 0.000 0.921 91 V CB 4.661 36.496 31.823 0.021 0.000 1.009 91 V HN 0.825 9.017 8.190 0.004 0.000 0.426 92 T N 10.166 124.718 114.554 -0.004 0.000 2.848 92 T HA 0.495 5.016 4.350 -0.010 -0.177 0.285 92 T C -1.844 172.846 174.700 -0.017 0.000 0.995 92 T CA -0.411 61.683 62.100 -0.010 0.000 0.970 92 T CB 1.928 70.791 68.868 -0.007 0.000 0.976 92 T HN 0.927 9.169 8.240 0.003 0.000 0.441 93 L N 7.327 128.540 121.223 -0.016 0.000 2.325 93 L HA 0.485 4.936 4.340 -0.026 -0.127 0.281 93 L C -2.088 174.781 176.870 -0.001 0.000 1.004 93 L CA -0.266 54.564 54.840 -0.016 0.000 0.823 93 L CB 2.472 44.520 42.059 -0.018 0.000 1.236 93 L HN 0.880 8.997 8.230 -0.012 0.106 0.415 94 I N 2.929 123.493 120.570 -0.009 0.000 2.533 94 I HA 0.539 4.714 4.170 0.008 0.000 0.290 94 I C -1.407 174.696 176.117 -0.024 0.000 1.056 94 I CA -1.929 59.367 61.300 -0.008 0.000 1.057 94 I CB 2.657 40.646 38.000 -0.019 0.000 1.240 94 I HN 0.700 8.898 8.210 -0.021 0.000 0.423 95 G N 4.867 113.658 108.800 -0.015 0.000 2.360 95 G HA2 0.107 4.019 3.960 -0.081 0.000 0.276 95 G HA3 0.107 3.995 3.960 -0.120 0.000 0.276 95 G C -2.925 171.970 174.900 -0.008 0.000 1.256 95 G CA 0.843 45.906 45.100 -0.062 0.000 0.890 95 G HN -0.255 8.044 8.290 0.015 0.000 0.486 96 D N -1.053 119.299 120.400 -0.080 0.000 2.717 96 D HA 0.692 5.549 4.640 0.196 -0.098 0.223 96 D C -1.876 174.404 176.300 -0.033 0.000 1.240 96 D CA -0.622 53.409 54.000 0.052 0.000 0.801 96 D CB 3.749 44.593 40.800 0.074 0.000 1.556 96 D HN -0.449 7.761 8.370 -0.267 0.000 0.462 97 F N 0.212 120.221 119.950 0.099 0.000 2.711 97 F HA 0.566 5.141 4.527 0.080 0.000 0.313 97 F C -1.748 174.082 175.800 0.051 0.000 1.141 97 F CA -2.034 56.012 58.000 0.076 0.000 0.941 97 F CB 3.364 42.411 39.000 0.079 0.000 1.349 97 F HN -0.171 8.311 8.300 0.303 0.000 0.464 98 P HA -0.079 4.615 4.420 0.115 -0.205 0.221 98 P C -1.684 175.659 177.300 0.073 0.000 1.150 98 P CA 1.317 64.498 63.100 0.135 0.000 0.800 98 P CB 0.520 32.285 31.700 0.108 0.000 0.787 99 D N -7.319 113.108 120.400 0.045 0.000 2.599 99 D HA 0.063 4.699 4.640 -0.007 0.000 0.252 99 D C -0.369 175.894 176.300 -0.062 0.000 1.232 99 D CA -1.702 52.288 54.000 -0.017 0.000 0.819 99 D CB 1.303 42.082 40.800 -0.036 0.000 1.401 99 D HN -1.010 7.395 8.370 0.059 0.000 0.429 100 E N -0.872 119.296 120.200 -0.053 0.000 2.204 100 E HA -0.332 3.998 4.350 -0.033 0.000 0.195 100 E C 1.666 178.203 176.600 -0.105 0.000 0.990 100 E CA 3.020 59.385 56.400 -0.058 0.000 0.821 100 E CB -0.295 29.382 29.700 -0.038 0.000 0.750 100 E HN 0.424 8.760 8.360 -0.041 0.000 0.477 101 A N -1.803 120.949 122.820 -0.114 0.000 1.969 101 A HA -0.269 3.998 4.320 -0.088 0.000 0.218 101 A C 1.670 179.136 177.584 -0.197 0.000 1.169 101 A CA 2.619 54.585 52.037 -0.117 0.000 0.635 101 A CB -0.933 18.019 19.000 -0.079 0.000 0.810 101 A HN 0.062 8.169 8.150 -0.094 -0.013 0.445 102 A N -1.403 121.194 122.820 -0.372 0.000 1.929 102 A HA -0.338 3.746 4.320 -0.394 0.000 0.216 102 A C 1.297 178.379 177.584 -0.837 0.000 1.176 102 A CA 2.767 54.380 52.037 -0.707 0.000 0.628 102 A CB -0.746 17.559 19.000 -1.158 0.000 0.816 102 A HN -0.157 7.989 8.150 -0.334 -0.196 0.444 103 K N -1.039 118.968 120.400 -0.655 0.000 2.057 103 K HA -0.313 4.094 4.320 0.146 0.000 0.207 103 K C 1.896 178.462 176.600 -0.057 0.000 1.049 103 K CA 2.895 59.115 56.287 -0.112 0.000 0.931 103 K CB -0.053 32.481 32.500 0.057 0.000 0.714 103 K HN -0.757 7.141 8.250 -0.586 0.000 0.440 104 A N -2.028 120.739 122.820 -0.088 0.000 1.969 104 A HA -0.174 4.121 4.320 -0.043 0.000 0.218 104 A C 1.993 179.554 177.584 -0.039 0.000 1.169 104 A CA 2.766 54.770 52.037 -0.055 0.000 0.635 104 A CB -0.944 18.025 19.000 -0.053 0.000 0.810 104 A HN 0.142 8.216 8.150 -0.126 0.000 0.445 105 A N -0.889 121.914 122.820 -0.029 0.000 1.930 105 A HA -0.205 4.136 4.320 0.034 0.000 0.217 105 A C 1.638 179.281 177.584 0.099 0.000 1.175 105 A CA 2.796 54.861 52.037 0.047 0.000 0.627 105 A CB -0.780 18.266 19.000 0.078 0.000 0.815 105 A HN -0.348 7.666 8.150 -0.080 0.088 0.443 106 L N -1.119 120.148 121.223 0.073 0.000 2.056 106 L HA -0.267 4.019 4.340 -0.091 0.000 0.207 106 L C 1.548 178.270 176.870 -0.247 0.000 1.078 106 L CA 3.138 57.906 54.840 -0.119 0.000 0.749 106 L CB -0.142 41.806 42.059 -0.186 0.000 0.901 106 L HN -0.719 7.546 8.230 0.059 0.000 0.433 107 M N -5.178 114.328 119.600 -0.155 0.000 2.319 107 M HA -0.175 4.157 4.480 -0.248 0.000 0.265 107 M C 1.895 178.109 176.300 -0.144 0.000 1.068 107 M CA 3.385 58.583 55.300 -0.169 0.000 1.118 107 M CB -0.549 31.991 32.600 -0.100 0.000 1.395 107 M HN -0.559 7.679 8.290 -0.087 0.000 0.435 108 T N 3.577 118.081 114.554 -0.084 0.000 2.777 108 T HA -0.372 3.949 4.350 -0.048 0.000 0.266 108 T C 1.518 176.193 174.700 -0.042 0.000 1.040 108 T CA 4.967 67.040 62.100 -0.046 0.000 1.141 108 T CB -0.607 68.256 68.868 -0.009 0.000 0.868 108 T HN -0.118 8.002 8.240 -0.062 0.083 0.444 109 A N 0.554 123.353 122.820 -0.035 0.000 1.972 109 A HA -0.161 4.228 4.320 0.115 0.000 0.219 109 A C 2.144 179.687 177.584 -0.068 0.000 1.169 109 A CA 2.801 54.870 52.037 0.053 0.000 0.635 109 A CB -0.636 18.527 19.000 0.271 0.000 0.810 109 A HN -0.201 7.931 8.150 -0.029 0.000 0.446 110 L N -5.674 115.315 121.223 -0.391 0.000 2.270 110 L HA -0.087 4.147 4.340 -0.177 0.000 0.210 110 L C 1.471 178.265 176.870 -0.127 0.000 1.104 110 L CA 2.373 57.012 54.840 -0.335 0.000 0.804 110 L CB -0.592 41.115 42.059 -0.587 0.000 0.937 110 L HN -0.823 7.120 8.230 -0.479 0.000 0.450 111 N N 0.582 119.217 118.700 -0.107 0.000 2.289 111 N HA -0.232 4.476 4.740 -0.053 0.000 0.184 111 N C 2.720 178.216 175.510 -0.024 0.000 1.016 111 N CA 3.244 56.260 53.050 -0.056 0.000 0.872 111 N CB -0.155 38.301 38.487 -0.052 0.000 0.973 111 N HN -0.100 8.106 8.380 -0.138 0.091 0.433 112 G N -0.206 108.589 108.800 -0.010 0.000 2.485 112 G HA2 -0.246 3.719 3.960 0.008 0.000 0.221 112 G HA3 -0.246 3.730 3.960 0.027 0.000 0.221 112 G C 0.113 175.023 174.900 0.016 0.000 1.115 112 G CA 1.941 47.048 45.100 0.012 0.000 0.751 112 G HN -0.115 8.135 8.290 -0.018 0.029 0.567 113 L N -2.134 119.100 121.223 0.018 0.000 3.429 113 L HA 0.280 4.629 4.340 0.015 0.000 0.311 113 L C -1.157 175.721 176.870 0.013 0.000 1.274 113 L CA -0.927 53.926 54.840 0.021 0.000 1.037 113 L CB 1.451 43.532 42.059 0.036 0.000 1.433 113 L HN -0.830 7.370 8.230 0.013 0.038 0.614 114 L N 0.324 121.547 121.223 -0.000 0.000 2.525 114 L HA -0.097 4.243 4.340 -0.001 0.000 0.278 114 L C -0.010 176.860 176.870 -0.001 0.000 1.218 114 L CA 0.757 55.594 54.840 -0.005 0.000 0.878 114 L CB 1.202 43.248 42.059 -0.021 0.000 1.127 114 L HN -0.870 7.224 8.230 -0.007 0.133 0.492 115 A N 7.245 130.067 122.820 0.002 0.000 2.303 115 A HA 0.462 4.783 4.320 0.003 0.000 0.317 115 A C -2.321 175.264 177.584 0.001 0.000 1.149 115 A CA -2.529 49.510 52.037 0.003 0.000 0.822 115 A CB 0.378 19.381 19.000 0.006 0.000 1.131 115 A HN 0.345 8.497 8.150 0.004 0.000 0.493 116 P HA -0.186 4.233 4.420 -0.002 0.000 0.268 116 P C -0.258 177.042 177.300 0.000 0.000 1.282 116 P CA 0.725 63.824 63.100 -0.001 0.000 0.880 116 P CB -1.203 30.497 31.700 -0.001 0.000 0.971 117 G N 2.659 111.459 108.800 -0.001 0.000 2.367 117 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.181 117 G HA3 -0.266 3.694 3.960 0.001 0.000 0.181 117 G C -1.028 173.872 174.900 0.001 0.000 1.000 117 G CA -0.354 44.746 45.100 0.000 0.000 0.693 117 G HN 0.024 8.313 8.290 -0.002 0.000 0.480 118 V N 2.822 122.737 119.914 0.001 0.000 2.425 118 V HA -0.268 4.047 4.120 0.006 -0.191 0.276 118 V C 0.061 176.154 176.094 -0.003 0.000 1.017 118 V CA 1.166 63.467 62.300 0.002 0.000 1.062 118 V CB -0.585 31.240 31.823 0.004 0.000 0.997 118 V HN -0.319 7.871 8.190 0.000 0.000 0.476 119 N N 8.159 126.858 118.700 -0.001 0.000 2.482 119 N HA -0.025 4.712 4.740 -0.006 0.000 0.260 119 N C -1.431 174.074 175.510 -0.008 0.000 1.236 119 N CA 0.510 53.558 53.050 -0.004 0.000 0.938 119 N CB 1.763 40.249 38.487 -0.001 0.000 1.128 119 N HN 0.450 8.740 8.380 0.003 0.092 0.448 120 V N 3.050 122.957 119.914 -0.013 0.000 2.686 120 V HA 0.584 4.871 4.120 -0.020 -0.179 0.306 120 V C -0.774 175.311 176.094 -0.015 0.000 1.065 120 V CA -0.918 61.370 62.300 -0.020 0.000 0.894 120 V CB 2.865 34.669 31.823 -0.032 0.000 1.004 120 V HN 0.140 8.324 8.190 -0.011 0.000 0.424 121 I N 6.830 127.392 120.570 -0.013 0.000 2.608 121 I HA 0.197 4.364 4.170 -0.005 0.000 0.295 121 I C -2.215 173.899 176.117 -0.006 0.000 1.049 121 I CA -1.149 60.147 61.300 -0.007 0.000 1.063 121 I CB 3.873 41.871 38.000 -0.004 0.000 1.248 121 I HN 0.895 9.095 8.210 -0.016 0.000 0.424 122 D N 4.408 124.809 120.400 0.002 0.000 2.780 122 D HA 0.411 5.204 4.640 0.011 -0.147 0.242 122 D C -1.151 175.162 176.300 0.021 0.000 1.135 122 D CA -0.382 53.625 54.000 0.012 0.000 0.859 122 D CB 3.304 44.112 40.800 0.014 0.000 1.530 122 D HN 0.270 8.642 8.370 0.003 0.000 0.493 123 Q N 3.118 122.936 119.800 0.030 0.000 2.023 123 Q HA 0.144 4.510 4.340 0.044 0.000 0.211 123 Q C -0.583 175.458 176.000 0.068 0.000 0.787 123 Q CA -0.621 55.206 55.803 0.041 0.000 1.035 123 Q CB 2.701 31.454 28.738 0.025 0.000 1.221 123 Q HN 0.729 9.016 8.270 0.029 0.000 0.443 124 I N 1.595 122.215 120.570 0.083 0.000 2.517 124 I HA -0.261 4.136 4.170 0.110 -0.161 0.285 124 I C -0.584 175.631 176.117 0.163 0.000 1.106 124 I CA 0.648 62.025 61.300 0.128 0.000 1.402 124 I CB -0.171 37.934 38.000 0.175 0.000 1.399 124 I HN -0.276 7.977 8.210 0.071 0.000 0.535 125 H N 9.871 128.982 119.070 0.070 0.000 2.544 125 H HA 0.137 4.727 4.556 0.057 0.000 0.365 125 H C -1.334 174.059 175.328 0.108 0.000 1.268 125 H CA 0.576 56.664 56.048 0.067 0.000 1.400 125 H CB 2.591 32.376 29.762 0.037 0.000 1.538 125 H HN 0.447 8.760 8.280 0.241 0.111 0.597 126 V N 2.931 122.542 119.914 -0.505 0.000 2.577 126 V HA 0.571 4.910 4.120 0.018 -0.209 0.303 126 V C -1.516 174.419 176.094 -0.266 0.000 1.042 126 V CA -0.635 61.530 62.300 -0.225 0.000 0.872 126 V CB 3.086 34.824 31.823 -0.142 0.000 0.998 126 V HN 0.254 7.614 8.190 -1.383 0.000 0.423 127 D N 7.023 127.435 120.400 0.019 0.000 2.966 127 D HA 0.459 5.119 4.640 0.033 0.000 0.222 127 D C -1.747 174.602 176.300 0.081 0.000 1.292 127 D CA -2.309 51.738 54.000 0.077 0.000 0.907 127 D CB 4.328 45.243 40.800 0.191 0.000 1.621 127 D HN 0.915 9.340 8.370 0.091 0.000 0.557 128 P HA -0.030 4.427 4.420 0.062 0.000 0.234 128 P C -0.352 176.982 177.300 0.056 0.000 1.167 128 P CA 1.152 64.284 63.100 0.054 0.000 0.763 128 P CB 0.462 32.184 31.700 0.036 0.000 0.835 129 V N -1.663 118.286 119.914 0.059 0.000 3.141 129 V HA -0.210 3.935 4.120 0.041 0.000 0.265 129 V C -0.264 175.861 176.094 0.052 0.000 1.126 129 V CA 1.719 64.049 62.300 0.050 0.000 1.141 129 V CB 0.594 32.445 31.823 0.046 0.000 0.743 129 V HN -0.250 8.267 8.190 0.067 -0.287 0.492 130 V N -6.535 113.421 119.914 0.070 0.000 2.715 130 V HA 0.349 4.500 4.120 0.051 0.000 0.310 130 V C -2.001 174.153 176.094 0.099 0.000 1.054 130 V CA -2.181 60.162 62.300 0.071 0.000 0.928 130 V CB 2.996 34.860 31.823 0.068 0.000 1.007 130 V HN -0.742 7.443 8.190 0.084 0.055 0.437 131 R N 2.066 122.622 120.500 0.093 0.000 2.740 131 R HA 0.316 4.754 4.340 0.163 0.000 0.273 131 R C -1.473 174.903 176.300 0.126 0.000 0.998 131 R CA -0.673 55.499 56.100 0.120 0.000 0.900 131 R CB 3.948 34.296 30.300 0.079 0.000 1.223 131 R HN 0.204 8.512 8.270 0.064 0.000 0.466 132 S N 0.636 116.445 115.700 0.182 0.000 2.705 132 S HA 0.181 4.706 4.470 0.091 0.000 0.280 132 S C -1.046 173.644 174.600 0.150 0.000 1.174 132 S CA -1.301 57.009 58.200 0.183 0.000 0.823 132 S CB 1.195 64.637 63.200 0.405 0.000 1.162 132 S HN -0.014 8.418 8.310 0.203 0.000 0.487 133 L N -0.405 120.880 121.223 0.104 0.000 2.425 133 L HA 0.158 4.562 4.340 0.107 0.000 0.225 133 L C -0.698 176.235 176.870 0.105 0.000 1.222 133 L CA 0.246 55.140 54.840 0.091 0.000 0.832 133 L CB 0.287 42.372 42.059 0.043 0.000 1.238 133 L HN -0.014 8.252 8.230 0.060 0.000 0.533 134 D N -1.350 119.096 120.400 0.077 0.000 2.473 134 D HA 0.140 4.858 4.640 0.131 0.000 0.253 134 D C -0.317 176.043 176.300 0.101 0.000 1.233 134 D CA -0.713 53.339 54.000 0.086 0.000 0.908 134 D CB 1.054 41.892 40.800 0.063 0.000 1.170 134 D HN 0.018 8.462 8.370 0.123 0.000 0.558 135 F N 3.559 123.683 119.950 0.289 0.000 2.722 135 F HA -0.112 4.635 4.527 0.368 0.000 0.298 135 F C 1.413 177.322 175.800 0.182 0.000 1.175 135 F CA 1.388 59.581 58.000 0.322 0.000 1.462 135 F CB -0.239 39.021 39.000 0.433 0.000 1.111 135 F HN 0.495 9.073 8.300 0.464 0.000 0.592 136 S N 1.586 117.429 115.700 0.238 0.000 2.402 136 S HA -0.312 4.241 4.470 0.138 0.000 0.233 136 S C 1.309 175.955 174.600 0.076 0.000 1.030 136 S CA 3.614 61.891 58.200 0.129 0.000 1.003 136 S CB -0.331 62.910 63.200 0.068 0.000 0.813 136 S HN -0.023 8.666 8.310 0.208 -0.255 0.477 137 S N 0.651 116.361 115.700 0.017 0.000 2.528 137 S HA -0.033 4.402 4.470 -0.058 0.000 0.219 137 S C -0.056 174.466 174.600 -0.130 0.000 0.985 137 S CA 1.008 59.157 58.200 -0.086 0.000 0.914 137 S CB 0.252 63.342 63.200 -0.184 0.000 0.776 137 S HN -0.660 7.647 8.310 0.019 0.014 0.526 138 A N 0.833 123.648 122.820 -0.007 0.000 2.251 138 A HA 0.192 4.366 4.320 -0.244 0.000 0.209 138 A C 0.291 178.019 177.584 0.240 0.000 1.187 138 A CA 0.208 52.270 52.037 0.042 0.000 0.823 138 A CB 0.422 19.674 19.000 0.420 0.000 0.846 138 A HN -0.244 7.784 8.150 0.141 0.206 0.486 139 E N 0.684 121.028 120.200 0.241 0.000 2.086 139 E HA -0.287 4.483 4.350 0.382 -0.191 0.200 139 E C -0.933 175.765 176.600 0.164 0.000 1.012 139 E CA 4.480 61.026 56.400 0.243 0.000 0.812 139 E CB -1.590 28.187 29.700 0.128 0.000 0.743 139 E HN 0.126 8.522 8.360 0.169 0.065 0.453 140 P HA -0.069 4.363 4.420 0.019 0.000 0.223 140 P C 1.305 178.586 177.300 -0.032 0.000 1.151 140 P CA 2.266 65.368 63.100 0.003 0.000 0.787 140 P CB -0.505 31.173 31.700 -0.037 0.000 0.788 141 V N 0.101 119.973 119.914 -0.071 0.000 2.358 141 V HA -0.416 3.632 4.120 -0.120 0.000 0.246 141 V C 1.840 177.775 176.094 -0.264 0.000 1.047 141 V CA 4.310 66.511 62.300 -0.165 0.000 1.035 141 V CB -0.403 31.307 31.823 -0.187 0.000 0.658 141 V HN -0.398 7.609 8.190 -0.047 0.155 0.452 142 F N -2.195 117.773 119.950 0.031 0.000 2.259 142 F HA 0.036 4.466 4.527 -0.162 0.000 0.298 142 F C 2.397 178.141 175.800 -0.093 0.000 1.088 142 F CA 2.460 60.433 58.000 -0.044 0.000 1.358 142 F CB -0.662 38.369 39.000 0.052 0.000 1.040 142 F HN -0.646 7.664 8.300 0.016 0.000 0.505 143 T N 1.761 116.376 114.554 0.102 0.000 2.720 143 T HA -0.445 3.939 4.350 0.057 0.000 0.268 143 T C 2.029 176.730 174.700 0.002 0.000 1.037 143 T CA 4.580 66.706 62.100 0.043 0.000 1.144 143 T CB -0.509 68.378 68.868 0.033 0.000 0.864 143 T HN -0.309 7.935 8.240 0.130 0.074 0.444 144 A N -0.573 122.219 122.820 -0.048 0.000 2.121 144 A HA -0.087 4.230 4.320 -0.005 0.000 0.218 144 A C 0.230 177.806 177.584 -0.014 0.000 1.154 144 A CA 2.537 54.551 52.037 -0.038 0.000 0.679 144 A CB -0.585 18.360 19.000 -0.092 0.000 0.795 144 A HN -0.241 7.870 8.150 -0.064 0.000 0.458 145 S N -5.119 110.444 115.700 -0.228 0.000 2.629 145 S HA 0.131 4.442 4.470 -0.264 0.000 0.236 145 S C 1.569 176.035 174.600 -0.224 0.000 1.010 145 S CA -0.303 57.643 58.200 -0.424 0.000 0.981 145 S CB 0.667 63.025 63.200 -1.404 0.000 0.919 145 S HN -0.679 7.336 8.310 -0.273 0.130 0.514 146 V N 4.517 124.384 119.914 -0.078 0.000 2.324 146 V HA -0.289 3.837 4.120 0.009 0.000 0.250 146 V C -1.292 174.789 176.094 -0.022 0.000 1.060 146 V CA 4.242 66.534 62.300 -0.013 0.000 1.042 146 V CB -1.662 30.171 31.823 0.015 0.000 0.650 146 V HN -0.482 7.677 8.190 -0.053 0.000 0.450 147 P HA -0.004 4.386 4.420 -0.050 0.000 0.253 147 P C -0.988 176.268 177.300 -0.075 0.000 1.281 147 P CA -0.349 62.702 63.100 -0.083 0.000 0.792 147 P CB -0.386 31.215 31.700 -0.166 0.000 1.193 148 I N 0.348 120.897 120.570 -0.036 0.000 2.388 148 I HA 0.497 4.670 4.170 0.006 0.000 0.281 148 I C -0.660 175.515 176.117 0.096 0.000 1.046 148 I CA -3.174 58.140 61.300 0.024 0.000 1.187 148 I CB 1.405 39.426 38.000 0.034 0.000 1.351 148 I HN -0.547 7.440 8.210 -0.041 0.199 0.472 149 P HA 0.017 4.484 4.420 0.079 0.000 0.225 149 P C 0.043 177.402 177.300 0.097 0.000 1.156 149 P CA 1.754 64.899 63.100 0.075 0.000 0.787 149 P CB 0.440 32.165 31.700 0.042 0.000 0.802 150 D N -2.536 117.929 120.400 0.108 0.000 2.363 150 D HA 0.161 4.843 4.640 0.070 0.000 0.214 150 D C -0.325 176.052 176.300 0.128 0.000 1.093 150 D CA -0.313 53.743 54.000 0.093 0.000 0.837 150 D CB 0.479 41.316 40.800 0.062 0.000 0.948 150 D HN -0.617 7.787 8.370 0.103 0.028 0.507 151 F N 3.737 123.711 119.950 0.040 0.000 2.626 151 F HA -0.334 4.382 4.527 0.048 -0.161 0.354 151 F C -1.284 174.554 175.800 0.063 0.000 1.168 151 F CA 1.380 59.414 58.000 0.057 0.000 1.368 151 F CB 0.986 40.036 39.000 0.083 0.000 1.092 151 F HN -0.863 7.561 8.300 0.317 0.066 0.612 152 G N 2.236 110.408 108.800 -1.046 0.000 2.646 152 G HA2 0.643 4.249 3.960 -0.697 0.000 0.291 152 G HA3 0.643 4.346 3.960 -0.428 -0.000 0.291 152 G C -3.598 170.726 174.900 -0.959 0.000 1.445 152 G CA 0.101 44.694 45.100 -0.845 0.000 0.814 152 G HN 0.583 8.056 8.290 -1.361 0.000 0.495 153 L N -0.917 120.015 121.223 -0.485 0.000 2.434 153 L HA 1.091 5.461 4.340 -0.236 -0.172 0.260 153 L C -2.798 174.010 176.870 -0.104 0.000 0.983 153 L CA -1.377 53.325 54.840 -0.230 0.000 0.820 153 L CB 4.622 46.648 42.059 -0.055 0.000 1.361 153 L HN 0.769 8.694 8.230 -0.329 0.108 0.410 154 K N 2.050 122.403 120.400 -0.080 0.000 2.477 154 K HA 0.795 5.236 4.320 -0.045 -0.149 0.255 154 K C -1.576 174.975 176.600 -0.083 0.000 0.952 154 K CA -1.531 54.715 56.287 -0.067 0.000 0.826 154 K CB 3.992 36.443 32.500 -0.082 0.000 1.331 154 K HN 0.868 9.063 8.250 -0.093 0.000 0.437 155 V N 0.629 120.494 119.914 -0.081 0.000 2.733 155 V HA 0.738 4.922 4.120 -0.184 -0.174 0.306 155 V C -1.954 174.070 176.094 -0.117 0.000 1.084 155 V CA -0.899 61.324 62.300 -0.129 0.000 0.905 155 V CB 3.871 35.628 31.823 -0.111 0.000 1.010 155 V HN 0.876 9.027 8.190 -0.065 0.000 0.424 156 E N 2.471 122.599 120.200 -0.121 0.000 2.375 156 E HA 0.861 5.384 4.350 -0.096 -0.231 0.280 156 E C 0.016 176.563 176.600 -0.088 0.000 0.972 156 E CA -1.597 54.746 56.400 -0.096 0.000 0.782 156 E CB 4.155 33.809 29.700 -0.078 0.000 1.229 156 E HN 0.531 8.805 8.360 -0.143 0.000 0.439 157 R N 0.459 120.918 120.500 -0.069 0.000 1.302 157 R HA -0.467 4.061 4.340 -0.042 -0.213 0.040 157 R C 0.053 176.321 176.300 -0.053 0.000 0.959 157 R CA 3.564 59.633 56.100 -0.052 0.000 1.644 157 R CB -0.876 29.398 30.300 -0.043 0.000 0.352 157 R HN 0.382 8.612 8.270 -0.066 0.000 0.620 158 D N -2.716 117.646 120.400 -0.062 0.000 2.651 158 D HA 0.318 4.920 4.640 -0.063 0.000 0.280 158 D C -2.126 174.123 176.300 -0.085 0.000 1.496 158 D CA -0.229 53.734 54.000 -0.062 0.000 0.792 158 D CB 2.122 42.900 40.800 -0.036 0.000 1.144 158 D HN -0.181 8.122 8.370 -0.065 0.028 0.470 159 T N 1.530 116.014 114.554 -0.118 0.000 2.912 159 T HA 0.478 4.918 4.350 -0.126 -0.165 0.299 159 T C -1.864 172.707 174.700 -0.215 0.000 1.052 159 T CA -0.245 61.774 62.100 -0.136 0.000 0.996 159 T CB 3.424 72.236 68.868 -0.095 0.000 1.070 159 T HN -0.015 8.048 8.240 -0.118 0.106 0.465 160 V N 6.738 126.490 119.914 -0.270 0.000 2.540 160 V HA 0.635 4.708 4.120 -0.336 -0.155 0.302 160 V C -1.250 174.720 176.094 -0.207 0.000 1.035 160 V CA -1.217 60.864 62.300 -0.365 0.000 0.873 160 V CB 2.441 33.800 31.823 -0.774 0.000 0.992 160 V HN 1.049 8.997 8.190 -0.217 0.112 0.428 161 T N 9.402 123.861 114.554 -0.157 0.000 2.824 161 T HA 0.510 4.988 4.350 -0.065 -0.166 0.282 161 T C -1.621 173.035 174.700 -0.073 0.000 0.993 161 T CA -0.203 61.844 62.100 -0.089 0.000 0.967 161 T CB 1.774 70.594 68.868 -0.079 0.000 0.960 161 T HN 0.997 9.023 8.240 -0.172 0.111 0.441 162 L N 7.756 128.966 121.223 -0.022 0.000 2.376 162 L HA 0.624 5.052 4.340 -0.068 -0.129 0.275 162 L C -1.616 175.271 176.870 0.028 0.000 0.987 162 L CA -0.353 54.498 54.840 0.020 0.000 0.828 162 L CB 2.555 44.710 42.059 0.160 0.000 1.249 162 L HN 1.015 9.242 8.230 -0.004 0.000 0.409 163 T N 2.769 117.290 114.554 -0.055 0.000 2.903 163 T HA 0.369 4.829 4.350 0.048 -0.082 0.299 163 T C -1.829 172.899 174.700 0.047 0.000 1.093 163 T CA -2.102 59.991 62.100 -0.012 0.000 1.002 163 T CB 2.316 71.148 68.868 -0.060 0.000 1.127 163 T HN 0.726 8.819 8.240 -0.244 0.000 0.488 164 G N 3.770 112.643 108.800 0.121 0.000 2.341 164 G HA2 0.021 4.213 3.960 0.142 0.000 0.293 164 G HA3 0.021 4.205 3.960 0.374 0.000 0.293 164 G C -3.221 171.760 174.900 0.136 0.000 1.298 164 G CA 0.307 45.524 45.100 0.194 0.000 0.868 164 G HN -0.126 8.215 8.290 0.085 0.000 0.540 165 T N -1.614 113.012 114.554 0.121 0.000 3.250 165 T HA 0.625 5.168 4.350 0.061 -0.157 0.391 165 T C -0.665 174.062 174.700 0.045 0.000 1.502 165 T CA -2.034 60.107 62.100 0.069 0.000 1.320 165 T CB -0.197 68.702 68.868 0.050 0.000 1.102 165 T HN -0.088 8.242 8.240 0.151 0.000 0.610 166 A N 5.156 128.001 122.820 0.043 0.000 2.371 166 A HA 0.283 4.587 4.320 -0.026 0.000 0.257 166 A C -0.854 176.708 177.584 -0.036 0.000 1.089 166 A CA -2.413 49.627 52.037 0.006 0.000 0.794 166 A CB -0.334 18.706 19.000 0.066 0.000 1.029 166 A HN 0.917 9.001 8.150 0.059 0.101 0.488 167 P HA -0.090 4.284 4.420 -0.076 0.000 0.219 167 P C -0.779 176.497 177.300 -0.039 0.000 1.150 167 P CA 1.271 64.301 63.100 -0.117 0.000 0.814 167 P CB 0.353 31.912 31.700 -0.236 0.000 0.787 168 S N -5.921 109.788 115.700 0.015 0.000 2.596 168 S HA 0.154 4.646 4.470 0.038 0.000 0.270 168 S C -0.427 174.227 174.600 0.089 0.000 1.155 168 S CA -1.663 56.573 58.200 0.061 0.000 0.827 168 S CB 1.448 64.695 63.200 0.078 0.000 1.130 168 S HN -0.909 7.412 8.310 0.018 0.000 0.467 169 S N 1.824 117.562 115.700 0.064 0.000 2.442 169 S HA -0.241 4.265 4.470 0.059 0.000 0.236 169 S C 1.624 176.258 174.600 0.056 0.000 1.007 169 S CA 2.686 60.919 58.200 0.056 0.000 0.965 169 S CB -0.057 63.165 63.200 0.037 0.000 0.773 169 S HN 0.605 8.945 8.310 0.050 0.000 0.504 170 E N 2.434 122.672 120.200 0.062 0.000 2.077 170 E HA -0.314 4.041 4.350 0.008 0.000 0.193 170 E C 2.315 178.916 176.600 0.003 0.000 0.989 170 E CA 3.109 59.527 56.400 0.030 0.000 0.800 170 E CB -0.633 29.084 29.700 0.029 0.000 0.746 170 E HN -0.047 8.323 8.360 0.072 0.033 0.452 171 H N -0.419 118.650 119.070 -0.003 0.000 2.389 171 H HA -0.191 4.355 4.556 -0.017 0.000 0.299 171 H C 2.031 177.358 175.328 -0.002 0.000 1.081 171 H CA 3.409 59.452 56.048 -0.010 0.000 1.345 171 H CB 0.297 30.050 29.762 -0.014 0.000 1.393 171 H HN -0.492 7.836 8.280 0.245 0.098 0.520 172 K N -0.418 120.054 120.400 0.119 0.000 2.063 172 K HA -0.384 3.991 4.320 0.092 0.000 0.208 172 K C 2.017 178.645 176.600 0.048 0.000 1.048 172 K CA 3.732 60.067 56.287 0.080 0.000 0.928 172 K CB -0.262 32.280 32.500 0.070 0.000 0.713 172 K HN -0.504 7.753 8.250 0.132 0.073 0.442 173 D N -1.273 119.143 120.400 0.028 0.000 2.117 173 D HA -0.225 4.425 4.640 0.017 0.000 0.198 173 D C 1.849 178.142 176.300 -0.011 0.000 0.982 173 D CA 3.257 57.262 54.000 0.009 0.000 0.828 173 D CB 0.039 40.839 40.800 0.001 0.000 0.967 173 D HN -0.220 8.170 8.370 0.032 0.000 0.464 174 A N -0.630 122.163 122.820 -0.044 0.000 1.930 174 A HA -0.192 4.085 4.320 -0.071 0.000 0.217 174 A C 2.237 179.790 177.584 -0.052 0.000 1.175 174 A CA 3.116 55.104 52.037 -0.083 0.000 0.627 174 A CB -0.543 18.341 19.000 -0.193 0.000 0.815 174 A HN -0.138 7.914 8.150 -0.047 0.070 0.443 175 V N -0.579 119.325 119.914 -0.016 0.000 2.427 175 V HA -0.518 3.595 4.120 -0.011 0.000 0.248 175 V C 1.738 177.862 176.094 0.049 0.000 1.051 175 V CA 4.852 67.162 62.300 0.017 0.000 1.048 175 V CB -0.637 31.220 31.823 0.056 0.000 0.666 175 V HN 0.139 8.327 8.190 -0.003 0.000 0.456 176 K N -0.262 120.166 120.400 0.046 0.000 2.026 176 K HA -0.323 4.045 4.320 0.078 0.000 0.208 176 K C 2.607 179.231 176.600 0.039 0.000 1.048 176 K CA 2.930 59.249 56.287 0.053 0.000 0.929 176 K CB -0.518 32.006 32.500 0.041 0.000 0.713 176 K HN -0.672 7.601 8.250 0.037 0.000 0.439 177 R N -1.785 118.721 120.500 0.010 0.000 2.081 177 R HA -0.366 3.974 4.340 -0.001 0.000 0.235 177 R C 2.291 178.579 176.300 -0.020 0.000 1.131 177 R CA 3.595 59.690 56.100 -0.008 0.000 0.960 177 R CB -0.145 30.139 30.300 -0.026 0.000 0.856 177 R HN 0.132 8.403 8.270 0.002 0.000 0.436 178 A N -1.119 121.685 122.820 -0.027 0.000 1.898 178 A HA -0.259 4.012 4.320 -0.081 0.000 0.216 178 A C 1.721 179.269 177.584 -0.061 0.000 1.181 178 A CA 3.091 55.093 52.037 -0.058 0.000 0.620 178 A CB -0.720 18.242 19.000 -0.063 0.000 0.819 178 A HN 0.158 8.295 8.150 -0.022 0.000 0.442 179 A N -1.922 120.934 122.820 0.059 0.000 1.930 179 A HA -0.226 4.244 4.320 0.250 0.000 0.217 179 A C 1.988 179.679 177.584 0.178 0.000 1.175 179 A CA 3.243 55.419 52.037 0.232 0.000 0.627 179 A CB -0.651 18.549 19.000 0.334 0.000 0.815 179 A HN 0.303 8.496 8.150 0.072 0.000 0.443 180 T N 0.623 115.229 114.554 0.086 0.000 2.821 180 T HA -0.297 4.114 4.350 0.101 0.000 0.267 180 T C 1.527 176.225 174.700 -0.003 0.000 1.046 180 T CA 4.422 66.557 62.100 0.058 0.000 1.139 180 T CB -0.266 68.623 68.868 0.036 0.000 0.871 180 T HN 0.060 8.340 8.240 0.067 0.000 0.454 181 S N -0.312 115.354 115.700 -0.057 0.000 2.387 181 S HA -0.186 4.241 4.470 -0.072 0.000 0.226 181 S C 1.050 175.532 174.600 -0.197 0.000 1.026 181 S CA 2.703 60.841 58.200 -0.103 0.000 0.972 181 S CB 0.340 63.478 63.200 -0.103 0.000 0.814 181 S HN -0.205 8.075 8.310 -0.050 0.000 0.477 182 T N 0.834 115.176 114.554 -0.353 0.000 2.896 182 T HA -0.056 3.941 4.350 -0.589 0.000 0.263 182 T C -0.114 174.115 174.700 -0.785 0.000 1.050 182 T CA 3.481 65.124 62.100 -0.763 0.000 1.140 182 T CB 0.706 68.713 68.868 -1.436 0.000 0.877 182 T HN -0.404 7.659 8.240 -0.295 0.000 0.457 183 W N -1.284 120.000 121.300 -0.027 0.000 1.590 183 W HA 0.549 5.187 4.660 -0.036 0.000 0.299 183 W C -2.000 174.506 176.519 -0.022 0.000 0.872 183 W CA -2.577 54.749 57.345 -0.032 0.000 1.961 183 W CB 0.129 29.563 29.460 -0.042 0.000 2.140 183 W HN -0.017 8.132 8.180 -0.051 0.000 0.433 184 P HA 0.033 4.497 4.420 0.073 0.000 0.242 184 P C -0.900 176.442 177.300 0.070 0.000 1.197 184 P CA 1.509 64.650 63.100 0.070 0.000 0.765 184 P CB 0.295 32.011 31.700 0.025 0.000 0.936 185 D N -2.652 117.803 120.400 0.091 0.000 2.599 185 D HA 0.195 4.864 4.640 0.049 0.000 0.249 185 D C -1.341 174.999 176.300 0.066 0.000 1.313 185 D CA -0.351 53.688 54.000 0.066 0.000 0.815 185 D CB 0.410 41.242 40.800 0.054 0.000 1.077 185 D HN 0.002 8.378 8.370 0.128 0.072 0.492 186 M N -2.165 117.485 119.600 0.083 0.000 2.631 186 M HA 0.106 4.593 4.480 0.011 0.000 0.288 186 M C -1.208 175.104 176.300 0.021 0.000 1.260 186 M CA -0.861 54.457 55.300 0.031 0.000 0.842 186 M CB 3.972 36.564 32.600 -0.014 0.000 1.743 186 M HN -0.848 7.512 8.290 0.116 0.000 0.461 187 K N 0.250 120.638 120.400 -0.020 0.000 2.326 187 K HA 0.016 4.338 4.320 0.003 0.000 0.275 187 K C -0.765 175.813 176.600 -0.037 0.000 1.018 187 K CA 0.328 56.603 56.287 -0.020 0.000 0.962 187 K CB 0.595 33.077 32.500 -0.031 0.000 0.953 187 K HN 0.329 8.555 8.250 -0.040 0.000 0.475 188 I N -1.082 119.486 120.570 -0.004 0.000 2.641 188 I HA 0.659 5.000 4.170 -0.035 -0.192 0.275 188 I C -0.878 175.248 176.117 0.015 0.000 1.129 188 I CA -1.730 59.578 61.300 0.014 0.000 1.094 188 I CB 0.546 38.606 38.000 0.100 0.000 1.232 188 I HN -0.053 8.163 8.210 0.009 0.000 0.503 189 V N 8.179 128.086 119.914 -0.012 0.000 2.326 189 V HA -0.109 4.014 4.120 0.004 0.000 0.249 189 V C -1.217 174.886 176.094 0.015 0.000 1.114 189 V CA -0.203 62.095 62.300 -0.004 0.000 1.028 189 V CB -0.985 30.825 31.823 -0.022 0.000 1.170 189 V HN 0.830 8.994 8.190 -0.043 0.000 0.494 190 N N 6.836 125.557 118.700 0.035 0.000 3.103 190 N HA -0.146 4.637 4.740 0.073 0.000 0.305 190 N C -0.555 174.984 175.510 0.047 0.000 1.232 190 N CA -0.324 52.760 53.050 0.056 0.000 1.190 190 N CB -0.501 38.023 38.487 0.062 0.000 1.461 190 N HN -0.237 8.162 8.380 0.033 0.000 0.538 191 N N 0.813 119.535 118.700 0.037 0.000 2.573 191 N HA -0.131 4.623 4.740 0.024 0.000 0.187 191 N C 1.089 176.627 175.510 0.046 0.000 1.107 191 N CA 0.627 53.694 53.050 0.029 0.000 0.918 191 N CB 0.532 39.024 38.487 0.008 0.000 0.966 191 N HN -0.496 7.859 8.380 0.031 0.044 0.448 192 I N -0.192 120.424 120.570 0.077 0.000 2.996 192 I HA -0.406 3.967 4.170 0.116 -0.133 0.311 192 I C -0.558 175.601 176.117 0.070 0.000 1.219 192 I CA 0.914 62.273 61.300 0.100 0.000 1.452 192 I CB -1.747 36.329 38.000 0.127 0.000 1.319 192 I HN -0.678 7.510 8.210 0.086 0.074 0.564 193 E N 4.618 124.858 120.200 0.067 0.000 2.392 193 E HA 0.297 4.675 4.350 0.046 0.000 0.269 193 E C -1.629 175.000 176.600 0.049 0.000 0.924 193 E CA -2.570 53.860 56.400 0.050 0.000 0.784 193 E CB 2.490 32.213 29.700 0.037 0.000 1.292 193 E HN 0.380 8.786 8.360 0.077 0.000 0.447 194 V N 1.494 121.431 119.914 0.038 0.000 2.583 194 V HA 0.097 4.399 4.120 0.034 -0.161 0.287 194 V C 0.507 176.615 176.094 0.023 0.000 1.051 194 V CA 0.136 62.455 62.300 0.031 0.000 1.010 194 V CB 0.410 32.251 31.823 0.029 0.000 0.988 194 V HN 0.407 8.617 8.190 0.034 0.000 0.478 195 T N 7.739 122.303 114.554 0.016 0.000 2.934 195 T HA -0.080 4.280 4.350 0.016 0.000 0.306 195 T C 0.356 175.062 174.700 0.010 0.000 1.042 195 T CA 2.260 64.367 62.100 0.012 0.000 1.145 195 T CB 0.480 69.349 68.868 0.003 0.000 0.982 195 T HN 0.360 8.607 8.240 0.012 0.000 0.544 196 G N 5.170 113.977 108.800 0.010 0.000 5.580 196 G HA2 0.049 4.013 3.960 0.007 0.000 0.197 196 G HA3 0.049 4.014 3.960 0.009 0.000 0.197 196 G C -1.583 173.322 174.900 0.008 0.000 0.741 196 G CA 0.224 45.330 45.100 0.009 0.000 0.692 196 G HN 0.171 8.468 8.290 0.012 0.000 0.300 197 Q N -0.307 119.498 119.800 0.008 0.000 2.275 197 Q HA 0.294 4.638 4.340 0.006 0.000 0.258 197 Q C -1.736 174.268 176.000 0.007 0.000 0.960 197 Q CA 0.600 56.407 55.803 0.007 0.000 0.801 197 Q CB 1.631 30.375 28.738 0.009 0.000 1.302 197 Q HN -0.453 7.821 8.270 0.008 0.000 0.433 198 A N 4.637 127.460 122.820 0.005 0.000 3.455 198 A HA 0.247 4.570 4.320 0.005 0.000 0.225 198 A C -2.084 175.502 177.584 0.004 0.000 1.052 198 A CA -0.930 51.110 52.037 0.005 0.000 1.005 198 A CB -0.225 18.778 19.000 0.004 0.000 1.318 198 A HN 0.357 8.510 8.150 0.005 0.000 0.639 199 P HA 0.263 4.685 4.420 0.003 0.000 0.272 199 P C -1.806 175.496 177.300 0.003 0.000 1.223 199 P CA -1.281 61.821 63.100 0.003 0.000 0.784 199 P CB -0.203 31.499 31.700 0.003 0.000 0.923 200 P HA 0.024 4.445 4.420 0.002 0.000 0.271 200 P C -1.196 176.105 177.300 0.002 0.000 1.380 200 P CA -0.014 63.087 63.100 0.002 0.000 0.992 200 P CB -0.944 30.757 31.700 0.002 0.000 1.230 201 G N 3.993 112.794 108.800 0.002 0.000 4.918 201 G HA2 0.029 3.990 3.960 0.002 0.000 0.220 201 G HA3 0.029 3.990 3.960 0.002 0.000 0.220 201 G C -2.201 172.700 174.900 0.002 0.000 2.090 201 G CA 0.073 45.174 45.100 0.002 0.000 0.632 201 G HN -0.240 8.051 8.290 0.002 0.000 0.234 202 P HA 0.381 4.803 4.420 0.003 0.000 0.272 202 P C -1.667 175.635 177.300 0.002 0.000 1.230 202 P CA -1.002 62.100 63.100 0.003 0.000 0.788 202 P CB -0.284 31.418 31.700 0.003 0.000 0.949 203 P HA 0.017 4.438 4.420 0.002 0.000 0.275 203 P C -1.047 176.255 177.300 0.002 0.000 1.266 203 P CA -0.320 62.781 63.100 0.002 0.000 0.793 203 P CB 0.496 32.197 31.700 0.002 0.000 1.074 204 A N 0.000 122.821 122.820 0.002 0.000 2.254 204 A HA 0.000 4.321 4.320 0.001 0.000 0.244 204 A CA 0.000 52.038 52.037 0.001 0.000 0.836 204 A CB 0.000 19.001 19.000 0.001 0.000 0.831 204 A HN 0.000 8.151 8.150 0.001 0.000 0.486