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 3m53_1_A DATA FIRST_RESID 116 DATA SEQUENCE HGVCWIYYPD GGSLVGEVNE DGEMTGEKIA YVYPDERTAL YGKFIDGEMI DATA SEQUENCE EGKLATLMST EEGRPHFELM PGNSVYHFDK STSSCISTNA LLPDPYESER DATA SEQUENCE VYVAESLISS AGEGLFSKVA VGPNTVMSFY NGVRITHQEV DSRDWALNGN DATA SEQUENCE TLSLDEETVI DVPEPYNHVS KYCASLGHKA NHSFTPNCIY DMFVHPRFGP DATA SEQUENCE IKCIRTLRAV EADEELTVAY GYDHSPXXXX GPEAPEWYQV ELKAFQATQQ 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 116 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 116 H C 0.000 175.335 175.328 0.012 0.000 0.993 116 H CA 0.000 56.051 56.048 0.006 0.000 1.023 116 H CB 0.000 29.761 29.762 -0.001 0.000 1.292 117 G N -0.112 108.697 108.800 0.016 0.000 2.557 117 G HA2 0.613 4.575 3.960 0.004 0.000 0.302 117 G HA3 0.613 4.575 3.960 0.004 0.000 0.302 117 G C -0.520 174.391 174.900 0.018 0.000 1.311 117 G CA 0.010 45.127 45.100 0.029 0.000 1.030 117 G HN 1.062 9.352 8.290 -0.000 0.000 0.509 118 V N -1.102 118.834 119.914 0.037 0.000 2.815 118 V HA 0.512 4.634 4.120 0.004 0.000 0.314 118 V C -0.337 175.775 176.094 0.030 0.000 1.064 118 V CA -0.765 61.532 62.300 -0.005 0.000 0.952 118 V CB 1.715 33.535 31.823 -0.005 0.000 1.020 118 V HN 0.872 9.062 8.190 -0.000 0.000 0.439 119 C N 4.168 123.437 119.300 -0.051 0.000 2.411 119 C HA 0.773 5.235 4.460 0.004 0.000 0.330 119 C C -1.310 173.629 174.990 -0.086 0.000 1.224 119 C CA -0.722 58.300 59.018 0.008 0.000 1.770 119 C CB 0.380 28.100 27.740 -0.034 0.000 2.297 119 C HN 0.843 9.073 8.230 -0.000 0.000 0.507 120 W N 5.371 126.630 121.300 -0.069 0.000 2.529 120 W HA 0.717 5.379 4.660 0.004 0.000 0.321 120 W C -0.338 176.089 176.519 -0.154 0.000 1.047 120 W CA -0.755 56.505 57.345 -0.143 0.000 1.216 120 W CB 0.873 30.291 29.460 -0.071 0.000 1.357 120 W HN 0.428 8.608 8.180 -0.000 0.000 0.489 121 I N 3.820 124.325 120.570 -0.108 0.000 2.411 121 I HA 0.236 4.409 4.170 0.004 0.000 0.284 121 I C -1.006 174.925 176.117 -0.310 0.000 1.012 121 I CA -1.078 60.134 61.300 -0.147 0.000 1.119 121 I CB 0.909 38.776 38.000 -0.221 0.000 1.261 121 I HN 0.287 8.497 8.210 -0.000 0.000 0.448 122 Y N 5.023 125.236 120.300 -0.145 0.000 2.334 122 Y HA 0.396 4.948 4.550 0.004 0.000 0.328 122 Y C -0.033 175.733 175.900 -0.223 0.000 1.130 122 Y CA -0.110 57.901 58.100 -0.148 0.000 1.163 122 Y CB 1.073 39.512 38.460 -0.035 0.000 1.207 122 Y HN 0.333 8.613 8.280 -0.000 0.000 0.471 123 Y N 3.232 123.590 120.300 0.098 0.000 2.298 123 Y HA 0.188 4.741 4.550 0.004 0.000 0.329 123 Y C -1.192 174.744 175.900 0.060 0.000 1.293 123 Y CA -2.198 55.920 58.100 0.030 0.000 1.388 123 Y CB -0.016 38.396 38.460 -0.080 0.000 1.309 123 Y HN 0.487 8.767 8.280 -0.000 0.000 0.544 124 P HA -0.141 4.279 4.420 -0.000 0.000 0.219 124 P C 0.382 177.765 177.300 0.138 0.000 1.146 124 P CA 1.745 64.930 63.100 0.141 0.000 0.808 124 P CB 0.041 31.807 31.700 0.110 0.000 0.779 125 D N -2.261 118.210 120.400 0.119 0.000 2.363 125 D HA 0.084 4.726 4.640 0.004 0.000 0.220 125 D C 1.475 177.901 176.300 0.211 0.000 0.994 125 D CA 0.897 54.982 54.000 0.141 0.000 0.890 125 D CB -0.769 40.032 40.800 0.001 0.000 0.906 125 D HN 0.222 8.592 8.370 -0.000 0.000 0.530 126 G N -0.997 107.938 108.800 0.225 0.000 2.213 126 G HA2 -0.163 3.799 3.960 0.004 0.000 0.226 126 G HA3 -0.163 3.799 3.960 0.004 0.000 0.226 126 G C 0.674 175.776 174.900 0.336 0.000 0.992 126 G CA -0.137 45.136 45.100 0.287 0.000 0.632 126 G HN 0.779 9.069 8.290 -0.000 0.000 0.511 127 G N 0.013 108.952 108.800 0.231 0.000 2.599 127 G HA2 0.693 4.655 3.960 0.004 0.000 0.264 127 G HA3 0.693 4.655 3.960 0.004 0.000 0.264 127 G C 0.250 175.130 174.900 -0.032 0.000 1.200 127 G CA 1.098 46.236 45.100 0.062 0.000 0.896 127 G HN 1.761 10.051 8.290 -0.000 0.000 0.536 128 S N -0.877 114.572 115.700 -0.418 0.000 2.596 128 S HA 0.656 5.129 4.470 0.004 0.000 0.270 128 S C -1.008 173.311 174.600 -0.468 0.000 1.155 128 S CA -0.952 56.919 58.200 -0.548 0.000 0.827 128 S CB 1.512 64.113 63.200 -1.000 0.000 1.130 128 S HN 0.528 8.838 8.310 -0.000 0.000 0.467 129 L N 1.557 122.522 121.223 -0.429 0.000 2.325 129 L HA 0.880 5.222 4.340 0.004 0.000 0.278 129 L C -0.744 175.837 176.870 -0.482 0.000 1.023 129 L CA -1.007 53.591 54.840 -0.403 0.000 0.811 129 L CB 1.761 43.617 42.059 -0.338 0.000 1.249 129 L HN 0.655 8.885 8.230 -0.000 0.000 0.431 130 V N 2.051 121.623 119.914 -0.570 0.000 2.888 130 V HA 1.007 5.129 4.120 0.004 0.000 0.309 130 V C -0.418 175.358 176.094 -0.531 0.000 1.114 130 V CA 0.276 62.133 62.300 -0.739 0.000 0.940 130 V CB 1.886 32.869 31.823 -1.400 0.000 1.021 130 V HN 0.917 9.107 8.190 -0.000 0.000 0.426 131 G N 4.116 112.652 108.800 -0.439 0.000 2.313 131 G HA2 0.282 4.245 3.960 0.004 0.000 0.296 131 G HA3 0.282 4.245 3.960 0.004 0.000 0.296 131 G C -1.429 173.359 174.900 -0.187 0.000 1.356 131 G CA -0.805 44.134 45.100 -0.269 0.000 0.833 131 G HN 0.778 9.068 8.290 -0.000 0.000 0.552 132 E N 0.054 120.183 120.200 -0.119 0.000 2.290 132 E HA 0.380 4.732 4.350 0.004 0.000 0.277 132 E C 0.964 177.515 176.600 -0.082 0.000 1.035 132 E CA -0.393 55.959 56.400 -0.079 0.000 0.873 132 E CB 1.724 31.394 29.700 -0.049 0.000 1.029 132 E HN 0.672 9.032 8.360 -0.000 0.000 0.419 133 V N 0.943 120.815 119.914 -0.070 0.000 3.214 133 V HA 0.247 4.370 4.120 0.004 0.000 0.306 133 V C 0.337 176.405 176.094 -0.044 0.000 1.078 133 V CA -1.004 61.257 62.300 -0.064 0.000 1.077 133 V CB 1.122 32.911 31.823 -0.057 0.000 1.121 133 V HN 0.715 8.905 8.190 -0.000 0.000 0.468 134 N N 0.403 119.080 118.700 -0.039 0.000 2.495 134 N HA 0.206 4.949 4.740 0.004 0.000 0.294 134 N C 0.584 176.081 175.510 -0.022 0.000 1.276 134 N CA -0.242 52.791 53.050 -0.028 0.000 0.973 134 N CB 0.114 38.586 38.487 -0.026 0.000 1.143 134 N HN 0.627 9.007 8.380 -0.000 0.000 0.589 135 E N -0.676 119.513 120.200 -0.017 0.000 2.233 135 E HA -0.155 4.197 4.350 0.004 0.000 0.199 135 E C -0.087 176.505 176.600 -0.014 0.000 1.004 135 E CA 1.482 57.874 56.400 -0.014 0.000 0.819 135 E CB -0.275 29.419 29.700 -0.011 0.000 0.738 135 E HN 0.576 8.936 8.360 -0.000 0.000 0.478 136 D N -1.320 119.070 120.400 -0.016 0.000 2.424 136 D HA 0.177 4.819 4.640 0.004 0.000 0.220 136 D C 0.571 176.860 176.300 -0.019 0.000 1.150 136 D CA 0.517 54.508 54.000 -0.015 0.000 0.831 136 D CB 0.732 41.523 40.800 -0.015 0.000 0.981 136 D HN 0.250 8.620 8.370 -0.000 0.000 0.500 137 G N 2.099 110.886 108.800 -0.022 0.000 2.160 137 G HA2 -0.288 3.674 3.960 0.004 0.000 0.251 137 G HA3 -0.288 3.674 3.960 0.004 0.000 0.251 137 G C -0.003 174.875 174.900 -0.037 0.000 1.008 137 G CA 0.044 45.127 45.100 -0.027 0.000 0.724 137 G HN 0.353 8.643 8.290 -0.000 0.000 0.514 138 E N -0.277 119.901 120.200 -0.037 0.000 2.242 138 E HA 0.487 4.840 4.350 0.004 0.000 0.275 138 E C 0.723 177.290 176.600 -0.056 0.000 1.002 138 E CA -0.926 55.449 56.400 -0.042 0.000 0.841 138 E CB 0.646 30.328 29.700 -0.031 0.000 1.109 138 E HN 0.069 8.428 8.360 -0.000 0.000 0.394 139 M N 2.751 122.310 119.600 -0.069 0.000 3.254 139 M HA 0.114 4.596 4.480 0.004 0.000 0.257 139 M C -0.670 175.603 176.300 -0.044 0.000 1.490 139 M CA 0.539 55.781 55.300 -0.097 0.000 1.620 139 M CB -1.019 31.494 32.600 -0.145 0.000 1.157 139 M HN 0.360 8.650 8.290 -0.000 0.000 0.541 140 T N 0.880 115.411 114.554 -0.038 0.000 2.879 140 T HA 0.818 5.170 4.350 0.004 0.000 0.290 140 T C 0.223 174.909 174.700 -0.022 0.000 0.993 140 T CA -0.581 61.514 62.100 -0.008 0.000 0.975 140 T CB 2.206 71.066 68.868 -0.013 0.000 0.981 140 T HN 0.827 9.067 8.240 -0.000 0.000 0.439 141 G N 1.620 110.415 108.800 -0.009 0.000 2.341 141 G HA2 0.282 4.244 3.960 0.004 0.000 0.293 141 G HA3 0.282 4.244 3.960 0.004 0.000 0.293 141 G C -0.574 174.302 174.900 -0.039 0.000 1.298 141 G CA -0.623 44.458 45.100 -0.032 0.000 0.868 141 G HN 0.397 8.687 8.290 -0.000 0.000 0.540 142 E N -0.393 119.766 120.200 -0.067 0.000 2.474 142 E HA 0.106 4.458 4.350 0.004 0.000 0.195 142 E C 0.691 177.154 176.600 -0.227 0.000 1.039 142 E CA 0.507 56.845 56.400 -0.102 0.000 0.881 142 E CB 0.617 30.276 29.700 -0.069 0.000 0.970 142 E HN 0.488 8.848 8.360 -0.000 0.000 0.486 143 K N 0.937 121.196 120.400 -0.236 0.000 2.972 143 K HA 0.268 4.590 4.320 0.004 0.000 0.209 143 K C -0.149 176.267 176.600 -0.306 0.000 1.128 143 K CA -0.207 55.859 56.287 -0.368 0.000 1.024 143 K CB 1.175 33.657 32.500 -0.030 0.000 0.754 143 K HN -0.110 8.140 8.250 -0.000 0.000 0.454 144 I N 1.637 121.995 120.570 -0.353 0.000 2.612 144 I HA 0.441 4.614 4.170 0.004 0.000 0.295 144 I C 0.396 176.146 176.117 -0.610 0.000 1.011 144 I CA -0.624 60.404 61.300 -0.453 0.000 1.326 144 I CB 1.195 38.884 38.000 -0.519 0.000 1.427 144 I HN 0.133 8.343 8.210 -0.000 0.000 0.537 145 A N 5.184 127.628 122.820 -0.627 0.000 2.498 145 A HA 0.567 4.890 4.320 0.004 0.000 0.298 145 A C -1.536 175.739 177.584 -0.515 0.000 1.075 145 A CA -0.543 51.205 52.037 -0.482 0.000 0.714 145 A CB 1.429 20.245 19.000 -0.307 0.000 1.299 145 A HN 0.600 8.750 8.150 -0.000 0.000 0.407 146 Y N 1.813 121.926 120.300 -0.312 0.000 2.320 146 Y HA 0.572 5.125 4.550 0.004 0.000 0.334 146 Y C -0.854 174.970 175.900 -0.127 0.000 1.055 146 Y CA -0.386 57.593 58.100 -0.203 0.000 1.143 146 Y CB 1.338 39.741 38.460 -0.095 0.000 1.193 146 Y HN 0.437 8.717 8.280 -0.000 0.000 0.477 147 V N 7.862 127.236 119.914 -0.899 0.000 2.409 147 V HA 0.241 4.363 4.120 0.004 0.000 0.291 147 V C -0.598 175.071 176.094 -0.709 0.000 1.020 147 V CA -1.002 61.028 62.300 -0.450 0.000 0.848 147 V CB 0.552 32.348 31.823 -0.046 0.000 0.990 147 V HN 0.744 8.934 8.190 -0.000 0.000 0.430 148 Y N 5.572 125.717 120.300 -0.257 0.000 2.335 148 Y HA 0.159 4.712 4.550 0.004 0.000 0.348 148 Y C -1.088 174.840 175.900 0.047 0.000 1.280 148 Y CA -1.060 57.008 58.100 -0.054 0.000 1.504 148 Y CB 0.291 38.752 38.460 0.001 0.000 1.366 148 Y HN 0.454 8.734 8.280 -0.000 0.000 0.621 149 P HA -0.138 4.282 4.420 -0.000 0.000 0.228 149 P C 0.344 177.849 177.300 0.342 0.000 1.151 149 P CA 1.506 64.800 63.100 0.323 0.000 0.770 149 P CB -0.009 31.918 31.700 0.379 0.000 0.786 150 D N -0.582 120.082 120.400 0.440 0.000 2.363 150 D HA -0.118 4.524 4.640 0.004 0.000 0.220 150 D C 0.422 176.884 176.300 0.269 0.000 0.994 150 D CA 0.143 54.366 54.000 0.372 0.000 0.890 150 D CB -0.927 40.122 40.800 0.415 0.000 0.906 150 D HN 0.156 8.526 8.370 -0.000 0.000 0.530 151 E N -2.043 118.321 120.200 0.274 0.000 2.791 151 E HA -0.315 4.038 4.350 0.004 0.000 0.271 151 E C 1.189 177.930 176.600 0.235 0.000 1.044 151 E CA 0.915 57.458 56.400 0.239 0.000 0.814 151 E CB -1.676 28.131 29.700 0.179 0.000 1.400 151 E HN 0.645 9.005 8.360 -0.000 0.000 0.423 152 R N -0.431 120.228 120.500 0.265 0.000 2.871 152 R HA 0.135 4.477 4.340 0.004 0.000 0.176 152 R C 1.025 177.495 176.300 0.283 0.000 0.830 152 R CA 1.038 57.281 56.100 0.239 0.000 1.160 152 R CB 0.035 30.444 30.300 0.181 0.000 1.614 152 R HN 0.046 8.316 8.270 -0.000 0.000 0.596 153 T N 1.517 116.267 114.554 0.327 0.000 2.832 153 T HA 0.695 5.047 4.350 0.004 0.000 0.296 153 T C -0.173 174.809 174.700 0.470 0.000 0.968 153 T CA 0.425 62.732 62.100 0.345 0.000 1.107 153 T CB 1.217 70.261 68.868 0.293 0.000 0.916 153 T HN 0.773 9.013 8.240 -0.000 0.000 0.517 154 A N 3.264 126.309 122.820 0.376 0.000 2.556 154 A HA 0.815 5.137 4.320 0.004 0.000 0.294 154 A C -1.324 176.398 177.584 0.230 0.000 1.091 154 A CA -0.870 51.337 52.037 0.284 0.000 0.704 154 A CB 1.303 20.391 19.000 0.146 0.000 1.300 154 A HN 0.779 8.929 8.150 -0.000 0.000 0.406 155 L N 1.679 123.027 121.223 0.207 0.000 2.342 155 L HA 0.453 4.796 4.340 0.004 0.000 0.276 155 L C -1.295 175.706 176.870 0.219 0.000 0.997 155 L CA -0.433 54.545 54.840 0.230 0.000 0.838 155 L CB 1.292 43.495 42.059 0.241 0.000 1.224 155 L HN 0.781 9.011 8.230 -0.000 0.000 0.416 156 Y N 3.011 123.299 120.300 -0.019 0.000 2.350 156 Y HA 0.811 5.363 4.550 0.004 0.000 0.338 156 Y C 0.256 176.178 175.900 0.037 0.000 0.961 156 Y CA 0.096 58.107 58.100 -0.148 0.000 1.100 156 Y CB 1.900 40.078 38.460 -0.471 0.000 1.179 156 Y HN 0.659 8.939 8.280 -0.000 0.000 0.454 157 G N 4.897 113.469 108.800 -0.379 0.000 2.530 157 G HA2 -0.007 3.955 3.960 0.004 0.000 0.081 157 G HA3 -0.007 3.955 3.960 0.004 0.000 0.081 157 G C -1.492 173.359 174.900 -0.082 0.000 1.062 157 G CA -1.037 43.857 45.100 -0.342 0.000 1.108 157 G HN 0.579 8.869 8.290 -0.000 0.000 0.466 158 K N 0.613 120.987 120.400 -0.043 0.000 2.316 158 K HA 0.623 4.946 4.320 0.004 0.000 0.289 158 K C -1.332 175.251 176.600 -0.030 0.000 1.070 158 K CA -0.192 56.086 56.287 -0.015 0.000 0.928 158 K CB 0.066 32.523 32.500 -0.072 0.000 1.039 158 K HN 0.246 8.496 8.250 -0.000 0.000 0.480 159 F N 4.174 124.055 119.950 -0.116 0.000 2.577 159 F HA 0.515 5.044 4.527 0.004 0.000 0.318 159 F C -0.063 175.686 175.800 -0.085 0.000 1.065 159 F CA -1.077 56.866 58.000 -0.096 0.000 0.929 159 F CB 1.747 40.681 39.000 -0.111 0.000 1.237 159 F HN 0.213 8.513 8.300 -0.000 0.000 0.468 160 I N 1.751 122.365 120.570 0.073 0.000 2.468 160 I HA 0.197 4.369 4.170 0.004 0.000 0.285 160 I C -0.764 175.360 176.117 0.012 0.000 1.039 160 I CA -0.606 60.708 61.300 0.023 0.000 1.074 160 I CB 1.682 39.675 38.000 -0.012 0.000 1.228 160 I HN 0.649 8.859 8.210 -0.000 0.000 0.436 161 D N 5.329 125.732 120.400 0.005 0.000 2.702 161 D HA -0.212 4.430 4.640 0.004 0.000 0.233 161 D C 1.119 177.412 176.300 -0.011 0.000 1.164 161 D CA 1.786 55.778 54.000 -0.013 0.000 0.638 161 D CB -0.625 40.160 40.800 -0.026 0.000 1.041 161 D HN 1.120 9.490 8.370 -0.000 0.000 0.422 162 G N -0.276 108.548 108.800 0.040 0.000 2.179 162 G HA2 -0.356 3.606 3.960 0.004 0.000 0.260 162 G HA3 -0.356 3.606 3.960 0.004 0.000 0.260 162 G C 0.086 175.068 174.900 0.136 0.000 0.977 162 G CA 0.464 45.611 45.100 0.079 0.000 0.641 162 G HN 0.725 9.015 8.290 -0.000 0.000 0.533 163 E N 0.256 120.465 120.200 0.014 0.000 2.197 163 E HA 0.561 4.913 4.350 0.004 0.000 0.281 163 E C 0.618 177.070 176.600 -0.246 0.000 0.995 163 E CA -0.923 55.367 56.400 -0.184 0.000 0.808 163 E CB 0.437 29.957 29.700 -0.300 0.000 1.093 163 E HN 0.333 8.693 8.360 -0.000 0.000 0.394 164 M N 6.625 125.953 119.600 -0.453 0.000 2.251 164 M HA 0.055 4.538 4.480 0.004 0.000 0.346 164 M C -0.111 175.917 176.300 -0.453 0.000 1.499 164 M CA -0.280 54.413 55.300 -1.011 0.000 1.128 164 M CB 0.435 32.580 32.600 -0.758 0.000 1.809 164 M HN 0.678 8.968 8.290 -0.000 0.000 0.464 165 I N 2.862 123.159 120.570 -0.456 0.000 2.556 165 I HA 0.128 4.301 4.170 0.004 0.000 0.251 165 I C 0.617 176.645 176.117 -0.149 0.000 1.105 165 I CA 1.135 62.320 61.300 -0.191 0.000 1.436 165 I CB -0.585 37.327 38.000 -0.147 0.000 1.139 165 I HN 0.701 8.911 8.210 -0.000 0.000 0.438 166 E N 0.908 120.986 120.200 -0.204 0.000 2.528 166 E HA 0.460 4.812 4.350 0.004 0.000 0.277 166 E C -0.658 175.885 176.600 -0.096 0.000 0.980 166 E CA -0.251 56.085 56.400 -0.108 0.000 0.796 166 E CB 1.170 30.822 29.700 -0.079 0.000 1.427 166 E HN 0.204 8.564 8.360 -0.000 0.000 0.394 167 G N 3.997 112.781 108.800 -0.027 0.000 2.335 167 G HA2 0.334 4.296 3.960 0.004 0.000 0.314 167 G HA3 0.334 4.296 3.960 0.004 0.000 0.314 167 G C -0.554 174.480 174.900 0.223 0.000 1.129 167 G CA -0.559 44.605 45.100 0.106 0.000 0.912 167 G HN 0.299 8.589 8.290 -0.000 0.000 0.443 168 K N 1.909 122.430 120.400 0.201 0.000 2.156 168 K HA 0.287 4.610 4.320 0.004 0.000 0.271 168 K C -0.357 176.400 176.600 0.262 0.000 0.995 168 K CA -0.877 55.542 56.287 0.219 0.000 0.890 168 K CB 2.389 34.988 32.500 0.165 0.000 1.073 168 K HN 0.360 8.610 8.250 -0.000 0.000 0.454 169 L N 2.524 123.933 121.223 0.309 0.000 2.499 169 L HA 0.164 4.506 4.340 0.004 0.000 0.273 169 L C -0.549 176.430 176.870 0.181 0.000 1.195 169 L CA 0.942 55.947 54.840 0.276 0.000 0.882 169 L CB 0.179 42.424 42.059 0.309 0.000 1.133 169 L HN 0.844 9.074 8.230 -0.000 0.000 0.483 170 A N 3.131 126.044 122.820 0.156 0.000 2.593 170 A HA 0.838 5.161 4.320 0.004 0.000 0.290 170 A C -0.745 176.952 177.584 0.188 0.000 1.126 170 A CA -0.557 51.553 52.037 0.121 0.000 0.695 170 A CB 1.435 20.423 19.000 -0.020 0.000 1.290 170 A HN 0.598 8.748 8.150 -0.000 0.000 0.414 171 T N 1.256 115.941 114.554 0.217 0.000 2.807 171 T HA 0.477 4.829 4.350 0.004 0.000 0.279 171 T C -0.767 174.123 174.700 0.318 0.000 0.993 171 T CA -0.315 61.927 62.100 0.237 0.000 0.970 171 T CB 1.138 70.097 68.868 0.153 0.000 0.950 171 T HN 0.678 8.918 8.240 -0.000 0.000 0.441 172 L N 4.805 126.218 121.223 0.317 0.000 2.385 172 L HA 0.303 4.645 4.340 0.004 0.000 0.281 172 L C 0.898 177.801 176.870 0.056 0.000 1.106 172 L CA 0.061 54.982 54.840 0.136 0.000 0.856 172 L CB 0.044 42.200 42.059 0.162 0.000 1.186 172 L HN 0.637 8.867 8.230 -0.000 0.000 0.453 173 M N 2.241 121.840 119.600 -0.001 0.000 2.466 173 M HA 0.201 4.683 4.480 0.004 0.000 0.265 173 M C 0.656 176.948 176.300 -0.013 0.000 1.122 173 M CA 0.619 55.928 55.300 0.015 0.000 1.157 173 M CB -0.986 31.628 32.600 0.023 0.000 1.352 173 M HN 0.786 9.076 8.290 -0.000 0.000 0.464 174 S N -0.437 115.238 115.700 -0.042 0.000 2.636 174 S HA 0.539 5.011 4.470 0.004 0.000 0.266 174 S C -0.576 173.994 174.600 -0.051 0.000 1.147 174 S CA -0.613 57.552 58.200 -0.059 0.000 0.815 174 S CB 1.827 64.963 63.200 -0.108 0.000 1.119 174 S HN 0.249 8.559 8.310 -0.000 0.000 0.470 175 T N -0.453 114.078 114.554 -0.038 0.000 2.881 175 T HA 0.776 5.128 4.350 0.004 0.000 0.290 175 T C -1.675 173.008 174.700 -0.028 0.000 1.000 175 T CA -0.624 61.500 62.100 0.041 0.000 0.978 175 T CB 1.703 70.635 68.868 0.107 0.000 0.997 175 T HN 0.614 8.854 8.240 -0.000 0.000 0.443 176 E N 2.002 122.198 120.200 -0.006 0.000 2.218 176 E HA 0.343 4.695 4.350 0.004 0.000 0.263 176 E C -0.338 176.295 176.600 0.055 0.000 0.879 176 E CA -0.622 55.748 56.400 -0.049 0.000 0.762 176 E CB 1.738 31.325 29.700 -0.189 0.000 1.166 176 E HN 0.896 9.256 8.360 -0.000 0.000 0.415 177 E N 1.331 121.553 120.200 0.036 0.000 2.586 177 E HA -0.269 4.083 4.350 0.004 0.000 0.259 177 E C 0.858 177.517 176.600 0.098 0.000 1.107 177 E CA 1.198 57.631 56.400 0.055 0.000 0.754 177 E CB -1.611 28.122 29.700 0.056 0.000 1.335 177 E HN 1.059 9.419 8.360 -0.000 0.000 0.411 178 G N -0.578 108.295 108.800 0.121 0.000 2.225 178 G HA2 -0.431 3.531 3.960 0.004 0.000 0.254 178 G HA3 -0.431 3.531 3.960 0.004 0.000 0.254 178 G C 0.360 175.499 174.900 0.397 0.000 0.988 178 G CA 0.202 45.441 45.100 0.232 0.000 0.625 178 G HN 0.414 8.704 8.290 -0.000 0.000 0.527 179 R N 2.016 122.669 120.500 0.255 0.000 2.234 179 R HA 0.462 4.804 4.340 0.004 0.000 0.324 179 R C -2.268 174.165 176.300 0.223 0.000 1.054 179 R CA -1.703 54.514 56.100 0.195 0.000 0.912 179 R CB 1.098 31.482 30.300 0.141 0.000 1.030 179 R HN 0.166 8.436 8.270 -0.000 0.000 0.455 180 P HA 0.059 4.479 4.420 -0.000 0.000 0.275 180 P C -1.225 175.838 177.300 -0.396 0.000 1.227 180 P CA 0.119 63.099 63.100 -0.200 0.000 0.781 180 P CB 0.929 32.281 31.700 -0.581 0.000 0.906 181 H N 2.483 121.241 119.070 -0.521 0.000 2.587 181 H HA 0.343 4.902 4.556 0.004 0.000 0.325 181 H C -0.444 174.603 175.328 -0.469 0.000 1.012 181 H CA -0.310 55.511 56.048 -0.378 0.000 1.213 181 H CB 0.658 30.317 29.762 -0.171 0.000 1.431 181 H HN 0.323 8.603 8.280 -0.000 0.000 0.492 182 F N 1.052 120.933 119.950 -0.115 0.000 2.483 182 F HA 0.263 4.792 4.527 0.004 0.000 0.329 182 F C 0.572 176.295 175.800 -0.128 0.000 1.064 182 F CA -0.799 57.105 58.000 -0.161 0.000 0.986 182 F CB 1.692 40.442 39.000 -0.417 0.000 1.218 182 F HN 0.454 8.754 8.300 -0.000 0.000 0.484 183 E N 2.023 122.310 120.200 0.145 0.000 2.199 183 E HA 0.431 4.783 4.350 0.004 0.000 0.265 183 E C -1.505 175.142 176.600 0.079 0.000 0.882 183 E CA -0.600 55.848 56.400 0.081 0.000 0.759 183 E CB 1.328 31.073 29.700 0.075 0.000 1.148 183 E HN 0.580 8.940 8.360 -0.000 0.000 0.412 184 L N 4.358 125.612 121.223 0.051 0.000 2.380 184 L HA 0.211 4.553 4.340 0.004 0.000 0.273 184 L C 0.672 177.589 176.870 0.079 0.000 1.138 184 L CA -0.357 54.523 54.840 0.067 0.000 0.832 184 L CB 0.708 42.812 42.059 0.074 0.000 1.124 184 L HN 0.569 8.799 8.230 -0.000 0.000 0.454 185 M N 4.083 123.741 119.600 0.095 0.000 2.241 185 M HA 0.265 4.747 4.480 0.004 0.000 0.335 185 M C -1.836 174.511 176.300 0.078 0.000 1.122 185 M CA -1.506 53.849 55.300 0.090 0.000 1.164 185 M CB 0.141 32.806 32.600 0.108 0.000 1.459 185 M HN 0.331 8.621 8.290 -0.000 0.000 0.461 186 P HA 0.495 4.915 4.420 -0.000 0.000 0.274 186 P C 0.111 177.444 177.300 0.056 0.000 1.256 186 P CA 0.062 63.194 63.100 0.054 0.000 0.795 186 P CB 0.632 32.358 31.700 0.044 0.000 1.038 187 G N 0.752 109.579 108.800 0.045 0.000 2.526 187 G HA2 -0.150 3.812 3.960 0.004 0.000 0.250 187 G HA3 -0.150 3.812 3.960 0.004 0.000 0.250 187 G C -0.656 174.265 174.900 0.034 0.000 1.289 187 G CA -0.577 44.546 45.100 0.038 0.000 0.947 187 G HN 0.600 8.890 8.290 -0.000 0.000 0.517 188 N N 0.519 119.231 118.700 0.019 0.000 2.610 188 N HA 0.301 5.043 4.740 0.004 0.000 0.307 188 N C -0.296 175.196 175.510 -0.030 0.000 1.813 188 N CA -0.085 52.968 53.050 0.004 0.000 0.901 188 N CB 1.147 39.630 38.487 -0.007 0.000 1.354 188 N HN 0.476 8.856 8.380 -0.000 0.000 0.491 189 S N 1.132 116.828 115.700 -0.006 0.000 2.430 189 S HA 0.228 4.700 4.470 0.004 0.000 0.282 189 S C 0.583 175.085 174.600 -0.163 0.000 1.186 189 S CA -0.464 57.684 58.200 -0.087 0.000 1.060 189 S CB 0.386 63.658 63.200 0.119 0.000 0.966 189 S HN 0.230 8.540 8.310 -0.000 0.000 0.501 190 V N 2.389 122.065 119.914 -0.395 0.000 2.769 190 V HA 0.797 4.919 4.120 0.004 0.000 0.312 190 V C -1.402 174.313 176.094 -0.631 0.000 1.061 190 V CA -0.969 61.145 62.300 -0.310 0.000 0.931 190 V CB 1.054 32.808 31.823 -0.115 0.000 1.010 190 V HN 0.685 8.875 8.190 -0.000 0.000 0.433 191 Y N 2.521 122.844 120.300 0.038 0.000 2.545 191 Y HA 0.838 5.391 4.550 0.004 0.000 0.348 191 Y C 0.118 176.026 175.900 0.012 0.000 1.002 191 Y CA -0.681 57.421 58.100 0.004 0.000 1.039 191 Y CB 2.135 40.575 38.460 -0.034 0.000 1.271 191 Y HN 1.030 9.310 8.280 -0.000 0.000 0.467 192 H N -0.216 118.868 119.070 0.024 0.000 2.985 192 H HA 0.372 4.930 4.556 0.004 0.000 0.360 192 H C -1.616 173.703 175.328 -0.015 0.000 1.221 192 H CA -1.251 54.772 56.048 -0.042 0.000 1.121 192 H CB 1.355 31.081 29.762 -0.061 0.000 1.854 192 H HN 0.631 8.911 8.280 -0.000 0.000 0.551 193 F N 1.887 121.755 119.950 -0.136 0.000 2.578 193 F HA 0.182 4.711 4.527 0.004 0.000 0.381 193 F C -0.118 175.585 175.800 -0.162 0.000 1.069 193 F CA 0.385 58.288 58.000 -0.162 0.000 1.231 193 F CB 0.303 39.245 39.000 -0.096 0.000 1.086 193 F HN 0.707 9.007 8.300 -0.000 0.000 0.564 194 D N 5.155 125.093 120.400 -0.770 0.000 3.118 194 D HA 0.073 4.715 4.640 0.004 0.000 0.286 194 D C -0.687 175.298 176.300 -0.525 0.000 1.255 194 D CA -0.424 53.230 54.000 -0.576 0.000 0.748 194 D CB -0.015 40.460 40.800 -0.543 0.000 1.332 194 D HN 0.551 8.921 8.370 -0.000 0.000 0.575 195 K N 0.768 120.678 120.400 -0.817 0.000 2.436 195 K HA 0.227 4.549 4.320 0.004 0.000 0.275 195 K C 0.502 176.969 176.600 -0.223 0.000 0.999 195 K CA -0.214 55.801 56.287 -0.455 0.000 0.980 195 K CB 0.551 32.789 32.500 -0.437 0.000 0.919 195 K HN 0.355 8.605 8.250 -0.000 0.000 0.484 196 S N 2.093 117.720 115.700 -0.123 0.000 2.589 196 S HA 0.130 4.603 4.470 0.004 0.000 0.265 196 S C 0.381 174.921 174.600 -0.100 0.000 1.342 196 S CA -0.235 57.899 58.200 -0.111 0.000 1.005 196 S CB 1.036 64.165 63.200 -0.118 0.000 0.909 196 S HN 0.745 9.055 8.310 -0.000 0.000 0.555 197 T N -1.663 112.834 114.554 -0.094 0.000 2.768 197 T HA 0.478 4.830 4.350 0.004 0.000 0.268 197 T C 1.103 175.757 174.700 -0.078 0.000 0.969 197 T CA -0.344 61.712 62.100 -0.073 0.000 1.008 197 T CB 0.407 69.240 68.868 -0.059 0.000 1.371 197 T HN 0.450 8.690 8.240 -0.000 0.000 0.587 198 S N 0.430 116.092 115.700 -0.063 0.000 2.447 198 S HA -0.004 4.468 4.470 0.004 0.000 0.233 198 S C 1.790 176.353 174.600 -0.063 0.000 1.006 198 S CA 1.294 59.455 58.200 -0.064 0.000 0.957 198 S CB -0.515 62.655 63.200 -0.050 0.000 0.773 198 S HN 0.851 9.161 8.310 -0.000 0.000 0.507 199 S N -2.102 113.564 115.700 -0.056 0.000 2.687 199 S HA 0.255 4.727 4.470 0.004 0.000 0.247 199 S C 0.130 174.700 174.600 -0.051 0.000 1.050 199 S CA -0.507 57.668 58.200 -0.041 0.000 1.063 199 S CB 0.059 63.246 63.200 -0.021 0.000 1.039 199 S HN 0.378 8.688 8.310 -0.000 0.000 0.580 200 C N 1.687 120.938 119.300 -0.082 0.000 2.316 200 C HA 0.625 5.087 4.460 0.004 0.000 0.324 200 C C 1.511 176.398 174.990 -0.172 0.000 1.226 200 C CA -1.017 57.938 59.018 -0.105 0.000 1.450 200 C CB -0.667 27.032 27.740 -0.068 0.000 2.123 200 C HN 0.709 8.938 8.230 -0.000 0.000 0.454 201 I N 3.897 124.287 120.570 -0.300 0.000 2.439 201 I HA 0.067 4.240 4.170 0.004 0.000 0.251 201 I C 0.841 176.849 176.117 -0.183 0.000 1.139 201 I CA 1.355 62.430 61.300 -0.375 0.000 1.438 201 I CB 0.203 37.739 38.000 -0.773 0.000 1.085 201 I HN 0.720 8.930 8.210 -0.000 0.000 0.427 202 S N -2.087 113.544 115.700 -0.116 0.000 2.580 202 S HA 0.158 4.630 4.470 0.004 0.000 0.281 202 S C 0.429 175.028 174.600 -0.002 0.000 1.129 202 S CA -0.386 57.817 58.200 0.006 0.000 0.862 202 S CB 1.311 64.603 63.200 0.154 0.000 1.090 202 S HN 0.129 8.439 8.310 -0.000 0.000 0.451 203 T N 2.823 117.382 114.554 0.008 0.000 3.007 203 T HA 0.109 4.461 4.350 0.004 0.000 0.270 203 T C 0.421 175.155 174.700 0.055 0.000 1.107 203 T CA 0.830 62.953 62.100 0.039 0.000 1.118 203 T CB -0.322 68.597 68.868 0.086 0.000 0.889 203 T HN 0.564 8.804 8.240 -0.000 0.000 0.506 204 N N 0.484 119.218 118.700 0.057 0.000 2.726 204 N HA 0.376 5.118 4.740 0.004 0.000 0.253 204 N C 0.599 176.153 175.510 0.074 0.000 1.530 204 N CA -0.058 53.029 53.050 0.060 0.000 0.772 204 N CB 1.417 39.930 38.487 0.044 0.000 1.220 204 N HN 0.145 8.525 8.380 -0.000 0.000 0.508 205 A N 0.511 123.392 122.820 0.101 0.000 2.070 205 A HA -0.035 4.288 4.320 0.004 0.000 0.220 205 A C 1.663 179.255 177.584 0.014 0.000 1.159 205 A CA 1.027 53.145 52.037 0.135 0.000 0.656 205 A CB -0.092 19.068 19.000 0.267 0.000 0.800 205 A HN 0.492 8.642 8.150 -0.000 0.000 0.453 206 L N -0.924 120.323 121.223 0.041 0.000 2.640 206 L HA 0.257 4.599 4.340 0.004 0.000 0.230 206 L C 0.163 177.044 176.870 0.019 0.000 1.123 206 L CA -0.380 54.473 54.840 0.021 0.000 0.900 206 L CB 0.226 42.315 42.059 0.050 0.000 1.146 206 L HN 0.301 8.531 8.230 -0.000 0.000 0.484 207 L N 2.587 123.828 121.223 0.030 0.000 2.295 207 L HA 0.449 4.791 4.340 0.004 0.000 0.288 207 L C -2.365 174.572 176.870 0.113 0.000 1.079 207 L CA -1.736 53.143 54.840 0.065 0.000 0.830 207 L CB 0.249 42.342 42.059 0.057 0.000 1.200 207 L HN -0.200 8.030 8.230 -0.000 0.000 0.438 208 P HA 0.158 4.578 4.420 -0.000 0.000 0.274 208 P C -1.297 176.147 177.300 0.239 0.000 1.246 208 P CA -0.432 62.752 63.100 0.139 0.000 0.795 208 P CB 0.494 32.259 31.700 0.109 0.000 1.006 209 D N 1.074 121.629 120.400 0.258 0.000 2.351 209 D HA 0.089 4.731 4.640 0.004 0.000 0.251 209 D C -1.318 175.103 176.300 0.201 0.000 1.137 209 D CA -1.765 52.408 54.000 0.288 0.000 0.879 209 D CB 0.611 41.723 40.800 0.521 0.000 1.181 209 D HN 0.184 8.554 8.370 -0.000 0.000 0.448 210 P HA -0.114 4.306 4.420 -0.000 0.000 0.224 210 P C 0.981 178.277 177.300 -0.007 0.000 1.157 210 P CA 0.716 63.855 63.100 0.066 0.000 0.799 210 P CB 0.029 31.765 31.700 0.061 0.000 0.809 211 Y N 1.789 121.933 120.300 -0.261 0.000 2.184 211 Y HA -0.092 4.460 4.550 0.004 0.000 0.290 211 Y C 2.656 178.487 175.900 -0.115 0.000 1.129 211 Y CA 1.740 59.635 58.100 -0.342 0.000 1.144 211 Y CB -0.412 37.509 38.460 -0.899 0.000 0.995 211 Y HN -0.123 8.157 8.280 -0.000 0.000 0.513 212 E N -0.099 120.204 120.200 0.171 0.000 2.110 212 E HA -0.206 4.146 4.350 0.004 0.000 0.193 212 E C 2.148 178.724 176.600 -0.039 0.000 0.988 212 E CA 1.524 57.937 56.400 0.021 0.000 0.804 212 E CB -0.204 29.582 29.700 0.144 0.000 0.745 212 E HN 0.605 8.965 8.360 -0.000 0.000 0.458 213 S N 0.261 115.969 115.700 0.013 0.000 2.447 213 S HA -0.091 4.381 4.470 0.004 0.000 0.233 213 S C 1.506 176.094 174.600 -0.020 0.000 1.006 213 S CA 0.731 58.941 58.200 0.017 0.000 0.957 213 S CB -0.015 63.215 63.200 0.050 0.000 0.773 213 S HN 0.216 8.526 8.310 -0.000 0.000 0.507 214 E N 1.060 121.208 120.200 -0.087 0.000 2.478 214 E HA 0.157 4.510 4.350 0.004 0.000 0.194 214 E C 1.728 178.255 176.600 -0.121 0.000 1.045 214 E CA 0.254 56.593 56.400 -0.100 0.000 0.868 214 E CB 0.012 29.634 29.700 -0.131 0.000 0.885 214 E HN 0.642 9.002 8.360 -0.000 0.000 0.505 215 R N -0.086 120.321 120.500 -0.155 0.000 2.287 215 R HA 0.138 4.480 4.340 0.004 0.000 0.197 215 R C 0.766 177.027 176.300 -0.064 0.000 0.900 215 R CA 0.270 56.281 56.100 -0.149 0.000 1.052 215 R CB 1.121 31.254 30.300 -0.279 0.000 1.117 215 R HN 0.004 8.274 8.270 -0.000 0.000 0.568 216 V N -1.953 117.940 119.914 -0.035 0.000 3.130 216 V HA 0.671 4.793 4.120 0.004 0.000 0.310 216 V C -1.346 174.804 176.094 0.094 0.000 1.158 216 V CA -1.317 60.968 62.300 -0.026 0.000 1.029 216 V CB 1.719 33.480 31.823 -0.104 0.000 1.057 216 V HN 0.211 8.401 8.190 -0.000 0.000 0.436 217 Y N -0.209 120.112 120.300 0.036 0.000 2.615 217 Y HA 0.911 5.464 4.550 0.004 0.000 0.341 217 Y C -1.151 174.809 175.900 0.099 0.000 1.089 217 Y CA -1.540 56.583 58.100 0.039 0.000 1.049 217 Y CB 1.581 40.050 38.460 0.014 0.000 1.296 217 Y HN 0.526 8.806 8.280 -0.000 0.000 0.470 218 V N 2.155 122.194 119.914 0.209 0.000 2.472 218 V HA 0.915 5.038 4.120 0.004 0.000 0.290 218 V C -0.009 176.235 176.094 0.248 0.000 1.037 218 V CA 0.139 62.531 62.300 0.153 0.000 0.908 218 V CB 0.639 32.511 31.823 0.083 0.000 0.985 218 V HN 1.174 9.364 8.190 -0.000 0.000 0.454 219 A N 3.227 126.205 122.820 0.262 0.000 2.568 219 A HA 0.667 4.989 4.320 0.004 0.000 0.291 219 A C -0.522 177.189 177.584 0.211 0.000 1.159 219 A CA -0.704 51.426 52.037 0.156 0.000 0.679 219 A CB 0.985 19.936 19.000 -0.082 0.000 1.285 219 A HN 0.735 8.885 8.150 -0.000 0.000 0.428 220 E N 0.784 121.052 120.200 0.113 0.000 2.465 220 E HA 0.238 4.591 4.350 0.004 0.000 0.260 220 E C 0.378 177.133 176.600 0.258 0.000 0.980 220 E CA 0.218 56.695 56.400 0.129 0.000 0.927 220 E CB 0.412 30.149 29.700 0.062 0.000 0.934 220 E HN 0.613 8.973 8.360 -0.000 0.000 0.459 221 S N 3.333 119.151 115.700 0.198 0.000 2.576 221 S HA 0.030 4.502 4.470 0.004 0.000 0.272 221 S C 1.163 175.864 174.600 0.168 0.000 1.352 221 S CA -0.375 57.926 58.200 0.167 0.000 1.021 221 S CB 0.446 63.645 63.200 -0.002 0.000 0.887 221 S HN 0.596 8.906 8.310 -0.000 0.000 0.542 222 L N 2.623 123.936 121.223 0.149 0.000 2.529 222 L HA 0.299 4.641 4.340 0.004 0.000 0.223 222 L C 0.246 177.131 176.870 0.025 0.000 1.113 222 L CA 0.160 55.059 54.840 0.099 0.000 0.861 222 L CB -0.156 41.973 42.059 0.117 0.000 1.012 222 L HN 0.556 8.786 8.230 -0.000 0.000 0.461 223 I N 0.645 121.205 120.570 -0.017 0.000 2.474 223 I HA 0.006 4.178 4.170 0.004 0.000 0.287 223 I C 0.856 176.955 176.117 -0.029 0.000 1.048 223 I CA -0.207 61.070 61.300 -0.039 0.000 1.383 223 I CB 1.288 39.236 38.000 -0.086 0.000 1.412 223 I HN 0.112 8.322 8.210 -0.000 0.000 0.531 224 S N 3.725 119.416 115.700 -0.015 0.000 2.516 224 S HA 0.096 4.568 4.470 0.004 0.000 0.282 224 S C 0.692 175.277 174.600 -0.024 0.000 1.286 224 S CA -0.439 57.756 58.200 -0.008 0.000 1.066 224 S CB 0.989 64.193 63.200 0.007 0.000 0.884 224 S HN 0.778 9.088 8.310 -0.000 0.000 0.491 225 S N 1.096 116.783 115.700 -0.022 0.000 3.490 225 S HA -0.198 4.275 4.470 0.004 0.000 0.301 225 S C 0.877 175.428 174.600 -0.082 0.000 1.233 225 S CA 0.644 58.825 58.200 -0.033 0.000 0.914 225 S CB -1.794 61.397 63.200 -0.016 0.000 1.047 225 S HN 1.443 9.753 8.310 -0.000 0.000 0.602 226 A N 0.033 122.795 122.820 -0.096 0.000 2.387 226 A HA 0.620 4.942 4.320 0.004 0.000 0.234 226 A C 1.635 179.150 177.584 -0.116 0.000 1.253 226 A CA 1.013 52.949 52.037 -0.168 0.000 0.894 226 A CB -0.453 18.431 19.000 -0.194 0.000 0.963 226 A HN 2.044 10.194 8.150 -0.000 0.000 0.508 227 G N 0.095 108.862 108.800 -0.055 0.000 2.509 227 G HA2 -0.252 3.711 3.960 0.004 0.000 0.259 227 G HA3 -0.252 3.711 3.960 0.004 0.000 0.259 227 G C -0.160 174.745 174.900 0.010 0.000 1.169 227 G CA 0.185 45.276 45.100 -0.016 0.000 0.953 227 G HN 0.569 8.859 8.290 -0.000 0.000 0.563 228 E N 0.433 120.646 120.200 0.022 0.000 2.345 228 E HA 0.529 4.881 4.350 0.004 0.000 0.259 228 E C 0.588 177.197 176.600 0.015 0.000 1.117 228 E CA 0.086 56.517 56.400 0.051 0.000 0.913 228 E CB 1.178 30.914 29.700 0.060 0.000 1.057 228 E HN 0.945 9.305 8.360 -0.000 0.000 0.432 229 G N 0.257 109.088 108.800 0.053 0.000 2.725 229 G HA2 0.516 4.478 3.960 0.004 0.000 0.288 229 G HA3 0.516 4.478 3.960 0.004 0.000 0.288 229 G C -1.844 172.969 174.900 -0.145 0.000 1.399 229 G CA -0.664 44.367 45.100 -0.116 0.000 0.859 229 G HN 0.278 8.568 8.290 -0.000 0.000 0.479 230 L N -0.059 120.950 121.223 -0.356 0.000 2.307 230 L HA 0.812 5.154 4.340 0.004 0.000 0.284 230 L C -1.420 175.104 176.870 -0.577 0.000 1.023 230 L CA -0.751 53.898 54.840 -0.319 0.000 0.810 230 L CB 0.955 42.860 42.059 -0.256 0.000 1.231 230 L HN 0.363 8.593 8.230 -0.000 0.000 0.423 231 F N 1.990 121.644 119.950 -0.494 0.000 2.546 231 F HA 0.460 4.989 4.527 0.003 0.000 0.320 231 F C 0.521 176.014 175.800 -0.512 0.000 1.076 231 F CA -0.606 57.047 58.000 -0.578 0.000 0.928 231 F CB 2.182 40.588 39.000 -0.989 0.000 1.189 231 F HN 0.384 8.684 8.300 -0.000 0.000 0.465 232 S N 1.731 117.370 115.700 -0.100 0.000 2.528 232 S HA 0.145 4.617 4.470 0.004 0.000 0.277 232 S C 1.038 175.706 174.600 0.113 0.000 1.297 232 S CA -0.385 57.799 58.200 -0.027 0.000 1.052 232 S CB 0.588 63.779 63.200 -0.015 0.000 0.917 232 S HN 0.711 9.021 8.310 -0.000 0.000 0.492 233 K N 2.240 122.734 120.400 0.156 0.000 2.288 233 K HA 0.042 4.364 4.320 0.004 0.000 0.201 233 K C 0.561 177.225 176.600 0.107 0.000 1.048 233 K CA 0.819 57.243 56.287 0.229 0.000 0.956 233 K CB 0.056 32.650 32.500 0.157 0.000 0.746 233 K HN 0.647 8.897 8.250 -0.000 0.000 0.461 234 V N -4.124 115.823 119.914 0.054 0.000 3.159 234 V HA 0.667 4.789 4.120 0.004 0.000 0.308 234 V C -1.083 175.021 176.094 0.017 0.000 1.190 234 V CA -1.517 60.798 62.300 0.026 0.000 1.037 234 V CB 1.585 33.408 31.823 0.001 0.000 1.060 234 V HN -0.066 8.124 8.190 -0.000 0.000 0.437 235 A N 1.726 124.554 122.820 0.014 0.000 2.409 235 A HA 0.782 5.104 4.320 0.004 0.000 0.262 235 A C 0.070 177.658 177.584 0.005 0.000 1.113 235 A CA 0.263 52.307 52.037 0.011 0.000 0.790 235 A CB 0.229 19.236 19.000 0.012 0.000 1.046 235 A HN 2.267 10.417 8.150 -0.000 0.000 0.496 236 V N 0.351 120.267 119.914 0.004 0.000 3.102 236 V HA 0.967 5.089 4.120 0.004 0.000 0.312 236 V C 0.484 176.584 176.094 0.011 0.000 1.135 236 V CA -0.240 62.064 62.300 0.007 0.000 1.022 236 V CB 1.211 33.036 31.823 0.003 0.000 1.056 236 V HN 1.271 9.461 8.190 -0.000 0.000 0.436 237 G N 0.687 109.499 108.800 0.020 0.000 2.588 237 G HA2 0.625 4.588 3.960 0.004 0.000 0.281 237 G HA3 0.625 4.588 3.960 0.004 0.000 0.281 237 G C -2.533 172.381 174.900 0.023 0.000 1.236 237 G CA -1.419 43.694 45.100 0.021 0.000 0.969 237 G HN 0.801 9.091 8.290 -0.000 0.000 0.504 238 P HA 0.018 4.438 4.420 -0.000 0.000 0.270 238 P C 0.093 177.417 177.300 0.040 0.000 1.223 238 P CA 0.095 63.209 63.100 0.024 0.000 0.785 238 P CB 0.517 32.230 31.700 0.021 0.000 0.923 239 N N -1.523 117.205 118.700 0.046 0.000 2.776 239 N HA -0.124 4.618 4.740 0.004 0.000 0.250 239 N C -1.087 174.480 175.510 0.095 0.000 1.112 239 N CA 0.998 54.089 53.050 0.069 0.000 0.733 239 N CB -1.806 36.721 38.487 0.067 0.000 1.097 239 N HN 0.369 8.749 8.380 -0.000 0.000 0.558 240 T N 0.110 114.715 114.554 0.084 0.000 2.749 240 T HA 0.435 4.787 4.350 0.004 0.000 0.287 240 T C 0.363 175.138 174.700 0.124 0.000 0.970 240 T CA -0.520 61.648 62.100 0.114 0.000 0.980 240 T CB 1.673 70.589 68.868 0.080 0.000 0.924 240 T HN 0.033 8.273 8.240 -0.000 0.000 0.456 241 V N 5.763 125.797 119.914 0.200 0.000 2.479 241 V HA 0.067 4.190 4.120 0.004 0.000 0.281 241 V C 0.907 177.084 176.094 0.139 0.000 1.031 241 V CA 0.188 62.589 62.300 0.169 0.000 1.038 241 V CB 0.608 32.577 31.823 0.244 0.000 0.981 241 V HN 0.883 9.073 8.190 -0.000 0.000 0.478 242 M N 2.704 122.283 119.600 -0.034 0.000 2.653 242 M HA 0.243 4.725 4.480 0.004 0.000 0.259 242 M C 0.671 176.818 176.300 -0.255 0.000 1.244 242 M CA 0.654 55.887 55.300 -0.111 0.000 1.163 242 M CB 0.518 33.054 32.600 -0.106 0.000 1.309 242 M HN 0.658 8.948 8.290 -0.000 0.000 0.509 243 S N -0.578 114.877 115.700 -0.408 0.000 2.565 243 S HA 0.673 5.145 4.470 0.004 0.000 0.269 243 S C -1.959 172.289 174.600 -0.586 0.000 1.153 243 S CA -0.619 57.298 58.200 -0.471 0.000 0.835 243 S CB 1.096 64.174 63.200 -0.204 0.000 1.122 243 S HN 0.034 8.344 8.310 -0.000 0.000 0.462 244 F N 2.185 122.162 119.950 0.045 0.000 2.480 244 F HA 0.468 4.997 4.527 0.004 0.000 0.329 244 F C -0.378 175.439 175.800 0.028 0.000 1.091 244 F CA -0.722 57.291 58.000 0.021 0.000 0.972 244 F CB 1.261 40.279 39.000 0.030 0.000 1.150 244 F HN 0.647 8.947 8.300 -0.000 0.000 0.467 245 Y N 3.048 123.424 120.300 0.126 0.000 2.944 245 Y HA 0.304 4.856 4.550 0.003 0.000 0.335 245 Y C -0.109 175.734 175.900 -0.095 0.000 1.075 245 Y CA -0.797 57.322 58.100 0.032 0.000 1.240 245 Y CB 0.098 38.570 38.460 0.021 0.000 1.167 245 Y HN 0.699 8.979 8.280 -0.000 0.000 0.555 246 N N 2.207 120.865 118.700 -0.070 0.000 2.463 246 N HA 0.749 5.491 4.740 0.004 0.000 0.270 246 N C -0.309 175.096 175.510 -0.175 0.000 1.205 246 N CA 0.381 53.258 53.050 -0.288 0.000 0.974 246 N CB 1.523 39.420 38.487 -0.983 0.000 1.197 246 N HN 0.699 9.079 8.380 -0.000 0.000 0.504 247 G N -0.811 107.862 108.800 -0.212 0.000 2.441 247 G HA2 0.347 4.309 3.960 0.004 0.000 0.294 247 G HA3 0.347 4.309 3.960 0.004 0.000 0.294 247 G C -1.033 173.732 174.900 -0.225 0.000 1.393 247 G CA -0.280 44.661 45.100 -0.264 0.000 0.796 247 G HN 0.744 9.034 8.290 -0.000 0.000 0.494 248 V N -1.734 118.042 119.914 -0.230 0.000 3.185 248 V HA 0.716 4.838 4.120 0.004 0.000 0.305 248 V C 0.149 176.161 176.094 -0.137 0.000 1.090 248 V CA -0.625 61.571 62.300 -0.172 0.000 1.107 248 V CB 0.855 32.586 31.823 -0.153 0.000 1.061 248 V HN 0.728 8.918 8.190 -0.000 0.000 0.480 249 R N 3.485 123.916 120.500 -0.115 0.000 2.288 249 R HA 0.733 5.075 4.340 0.004 0.000 0.326 249 R C -0.253 175.984 176.300 -0.104 0.000 0.959 249 R CA -0.329 55.706 56.100 -0.108 0.000 0.834 249 R CB 1.253 31.503 30.300 -0.084 0.000 1.157 249 R HN 0.920 9.190 8.270 -0.000 0.000 0.470 250 I N -1.926 118.567 120.570 -0.127 0.000 3.294 250 I HA 0.638 4.810 4.170 0.004 0.000 0.311 250 I C 0.112 176.137 176.117 -0.152 0.000 1.111 250 I CA -1.095 60.133 61.300 -0.120 0.000 0.976 250 I CB 2.241 40.172 38.000 -0.114 0.000 1.260 250 I HN 0.374 8.584 8.210 -0.000 0.000 0.474 251 T N -2.233 112.247 114.554 -0.125 0.000 2.918 251 T HA 0.341 4.693 4.350 0.004 0.000 0.283 251 T C 0.933 175.541 174.700 -0.153 0.000 1.001 251 T CA -0.364 61.666 62.100 -0.116 0.000 1.041 251 T CB 0.862 69.704 68.868 -0.043 0.000 1.028 251 T HN 0.609 8.849 8.240 -0.000 0.000 0.511 252 H N 0.253 119.283 119.070 -0.066 0.000 2.387 252 H HA -0.133 4.425 4.556 0.003 0.000 0.299 252 H C 2.225 177.504 175.328 -0.081 0.000 1.099 252 H CA 2.194 58.196 56.048 -0.077 0.000 1.315 252 H CB 0.045 29.770 29.762 -0.063 0.000 1.380 252 H HN 0.836 9.116 8.280 -0.000 0.000 0.513 253 Q N 1.004 120.831 119.800 0.045 0.000 2.030 253 Q HA -0.203 4.139 4.340 0.004 0.000 0.204 253 Q C 2.348 178.323 176.000 -0.041 0.000 0.986 253 Q CA 2.028 57.829 55.803 -0.004 0.000 0.843 253 Q CB 0.015 28.750 28.738 -0.006 0.000 0.904 253 Q HN 0.552 8.822 8.270 -0.000 0.000 0.420 254 E N -0.805 119.363 120.200 -0.055 0.000 2.085 254 E HA -0.188 4.164 4.350 0.004 0.000 0.194 254 E C 1.900 178.440 176.600 -0.101 0.000 0.994 254 E CA 1.556 57.913 56.400 -0.073 0.000 0.801 254 E CB 0.057 29.712 29.700 -0.074 0.000 0.743 254 E HN 0.308 8.668 8.360 -0.000 0.000 0.453 255 V N 1.478 121.319 119.914 -0.122 0.000 2.379 255 V HA -0.187 3.935 4.120 0.004 0.000 0.245 255 V C 1.726 177.691 176.094 -0.215 0.000 1.044 255 V CA 1.998 64.195 62.300 -0.171 0.000 1.036 255 V CB -0.414 31.296 31.823 -0.188 0.000 0.664 255 V HN 0.276 8.466 8.190 -0.000 0.000 0.453 256 D N 0.052 120.356 120.400 -0.159 0.000 2.183 256 D HA -0.074 4.568 4.640 0.004 0.000 0.203 256 D C 2.219 178.422 176.300 -0.162 0.000 0.969 256 D CA 1.234 55.129 54.000 -0.176 0.000 0.842 256 D CB -0.135 40.611 40.800 -0.090 0.000 0.957 256 D HN 0.347 8.717 8.370 -0.000 0.000 0.484 257 S N 0.069 115.698 115.700 -0.118 0.000 2.607 257 S HA 0.002 4.474 4.470 0.004 0.000 0.224 257 S C 0.921 175.460 174.600 -0.102 0.000 0.969 257 S CA -0.057 58.087 58.200 -0.093 0.000 0.927 257 S CB 0.140 63.301 63.200 -0.065 0.000 0.772 257 S HN 0.339 8.649 8.310 -0.000 0.000 0.533 258 R N 1.006 121.420 120.500 -0.144 0.000 2.892 258 R HA 0.530 4.873 4.340 0.004 0.000 0.265 258 R C -1.276 174.925 176.300 -0.165 0.000 1.025 258 R CA -0.836 55.188 56.100 -0.127 0.000 0.982 258 R CB 0.619 30.854 30.300 -0.108 0.000 1.185 258 R HN -0.019 8.251 8.270 -0.000 0.000 0.484 259 D N 0.248 120.591 120.400 -0.095 0.000 2.399 259 D HA -0.054 4.588 4.640 0.004 0.000 0.241 259 D C 0.251 176.519 176.300 -0.053 0.000 1.133 259 D CA -0.118 53.853 54.000 -0.049 0.000 0.890 259 D CB 0.487 41.299 40.800 0.021 0.000 1.201 259 D HN 0.555 8.925 8.370 -0.000 0.000 0.432 260 W N 2.302 123.582 121.300 -0.033 0.000 2.364 260 W HA -0.117 4.545 4.660 0.003 0.000 0.281 260 W C 2.314 178.837 176.519 0.007 0.000 1.219 260 W CA 0.729 58.050 57.345 -0.040 0.000 1.220 260 W CB -0.062 29.356 29.460 -0.070 0.000 1.127 260 W HN 0.625 8.805 8.180 -0.000 0.000 0.556 261 A N -0.533 122.438 122.820 0.251 0.000 2.125 261 A HA -0.106 4.216 4.320 0.004 0.000 0.219 261 A C 1.729 179.395 177.584 0.136 0.000 1.156 261 A CA 1.000 53.150 52.037 0.189 0.000 0.671 261 A CB -0.644 18.435 19.000 0.131 0.000 0.794 261 A HN 0.352 8.502 8.150 -0.000 0.000 0.459 262 L N -0.893 120.380 121.223 0.084 0.000 2.607 262 L HA 0.131 4.473 4.340 0.004 0.000 0.228 262 L C 0.572 177.462 176.870 0.033 0.000 1.123 262 L CA 0.028 54.890 54.840 0.036 0.000 0.890 262 L CB -0.018 42.033 42.059 -0.014 0.000 1.103 262 L HN 0.222 8.452 8.230 -0.000 0.000 0.468 263 N N 0.004 118.754 118.700 0.084 0.000 2.338 263 N HA 0.128 4.870 4.740 0.004 0.000 0.251 263 N C 1.453 177.128 175.510 0.276 0.000 1.199 263 N CA 0.201 53.283 53.050 0.053 0.000 0.879 263 N CB 1.112 39.446 38.487 -0.255 0.000 1.159 263 N HN 0.123 8.503 8.380 -0.000 0.000 0.514 264 G N 0.577 109.548 108.800 0.284 0.000 2.448 264 G HA2 -0.161 3.801 3.960 0.004 0.000 0.218 264 G HA3 -0.161 3.801 3.960 0.004 0.000 0.218 264 G C 1.184 176.259 174.900 0.292 0.000 1.135 264 G CA 0.452 45.767 45.100 0.358 0.000 0.784 264 G HN 0.208 8.498 8.290 -0.000 0.000 0.543 265 N N 0.262 119.074 118.700 0.186 0.000 2.200 265 N HA 0.099 4.841 4.740 0.004 0.000 0.224 265 N C 0.270 175.870 175.510 0.149 0.000 1.179 265 N CA 0.098 53.252 53.050 0.173 0.000 0.877 265 N CB 0.697 39.244 38.487 0.100 0.000 1.072 265 N HN 0.280 8.660 8.380 -0.000 0.000 0.519 266 T N -0.262 114.337 114.554 0.076 0.000 2.851 266 T HA 0.419 4.771 4.350 0.004 0.000 0.298 266 T C -0.028 174.601 174.700 -0.118 0.000 0.977 266 T CA -0.513 61.569 62.100 -0.031 0.000 1.126 266 T CB 1.354 70.182 68.868 -0.067 0.000 0.916 266 T HN -0.026 8.214 8.240 -0.000 0.000 0.529 267 L N 2.874 123.928 121.223 -0.282 0.000 2.376 267 L HA 0.578 4.920 4.340 0.004 0.000 0.275 267 L C 0.098 176.758 176.870 -0.349 0.000 0.987 267 L CA -0.436 54.109 54.840 -0.491 0.000 0.828 267 L CB 2.110 43.513 42.059 -1.094 0.000 1.249 267 L HN 0.852 9.082 8.230 -0.000 0.000 0.409 268 S N 3.402 118.968 115.700 -0.223 0.000 2.537 268 S HA 0.164 4.636 4.470 0.004 0.000 0.286 268 S C 0.757 175.274 174.600 -0.139 0.000 1.299 268 S CA -0.148 57.989 58.200 -0.105 0.000 1.067 268 S CB 0.353 63.597 63.200 0.072 0.000 0.864 268 S HN 0.721 9.031 8.310 -0.000 0.000 0.494 269 L N 4.716 125.875 121.223 -0.107 0.000 2.269 269 L HA 0.413 4.756 4.340 0.004 0.000 0.200 269 L C 0.277 177.144 176.870 -0.004 0.000 1.069 269 L CA 1.615 56.408 54.840 -0.078 0.000 0.804 269 L CB -0.231 41.781 42.059 -0.079 0.000 0.987 269 L HN 0.896 9.126 8.230 -0.000 0.000 0.468 270 D N -3.334 117.094 120.400 0.048 0.000 3.103 270 D HA 0.248 4.890 4.640 0.004 0.000 0.337 270 D C 0.691 177.088 176.300 0.162 0.000 1.356 270 D CA 0.253 54.297 54.000 0.074 0.000 0.951 270 D CB 0.054 40.881 40.800 0.045 0.000 1.438 270 D HN -0.196 8.174 8.370 -0.000 0.000 0.562 271 E N -1.290 118.961 120.200 0.086 0.000 2.418 271 E HA 0.228 4.580 4.350 0.004 0.000 0.197 271 E C 1.606 178.277 176.600 0.119 0.000 1.026 271 E CA 1.853 58.272 56.400 0.031 0.000 0.862 271 E CB -1.009 28.679 29.700 -0.019 0.000 0.799 271 E HN 0.634 8.994 8.360 -0.000 0.000 0.518 272 E N -0.589 119.704 120.200 0.156 0.000 2.372 272 E HA 0.242 4.594 4.350 0.004 0.000 0.201 272 E C 1.137 177.789 176.600 0.087 0.000 0.938 272 E CA 0.766 57.249 56.400 0.138 0.000 0.944 272 E CB 0.537 30.271 29.700 0.056 0.000 0.937 272 E HN 0.364 8.724 8.360 -0.000 0.000 0.495 273 T N 0.214 114.776 114.554 0.012 0.000 2.861 273 T HA 0.606 4.959 4.350 0.004 0.000 0.287 273 T C -0.806 173.714 174.700 -0.301 0.000 1.003 273 T CA -0.400 61.615 62.100 -0.141 0.000 0.977 273 T CB 1.851 70.673 68.868 -0.076 0.000 0.996 273 T HN 0.129 8.369 8.240 -0.000 0.000 0.448 274 V N 3.764 123.449 119.914 -0.383 0.000 2.555 274 V HA 0.521 4.644 4.120 0.004 0.000 0.302 274 V C -0.173 175.781 176.094 -0.233 0.000 1.038 274 V CA -0.904 61.179 62.300 -0.360 0.000 0.887 274 V CB 1.770 33.338 31.823 -0.425 0.000 0.991 274 V HN 0.794 8.984 8.190 -0.000 0.000 0.434 275 I N 3.696 124.135 120.570 -0.218 0.000 2.353 275 I HA 0.451 4.623 4.170 0.004 0.000 0.293 275 I C -0.545 175.496 176.117 -0.126 0.000 0.992 275 I CA 0.091 61.291 61.300 -0.166 0.000 1.268 275 I CB 1.506 39.401 38.000 -0.173 0.000 1.387 275 I HN 0.611 8.821 8.210 -0.000 0.000 0.478 276 D N 4.583 124.922 120.400 -0.103 0.000 2.601 276 D HA 0.473 5.115 4.640 0.004 0.000 0.230 276 D C -1.240 174.981 176.300 -0.131 0.000 1.106 276 D CA -0.313 53.641 54.000 -0.076 0.000 0.873 276 D CB 2.610 43.355 40.800 -0.092 0.000 1.515 276 D HN 0.085 8.455 8.370 -0.000 0.000 0.468 277 V N 4.332 124.160 119.914 -0.143 0.000 2.266 277 V HA 0.375 4.497 4.120 0.004 0.000 0.266 277 V C -2.134 173.867 176.094 -0.154 0.000 1.036 277 V CA -1.192 60.930 62.300 -0.296 0.000 0.828 277 V CB 0.848 32.314 31.823 -0.595 0.000 1.081 277 V HN 0.437 8.627 8.190 -0.000 0.000 0.449 278 P HA 0.271 4.691 4.420 -0.000 0.000 0.276 278 P C -0.011 177.276 177.300 -0.021 0.000 1.244 278 P CA -0.407 62.677 63.100 -0.027 0.000 0.801 278 P CB 1.068 32.765 31.700 -0.005 0.000 1.006 279 E N 2.069 122.243 120.200 -0.044 0.000 2.481 279 E HA -0.046 4.307 4.350 0.004 0.000 0.263 279 E C -1.382 175.121 176.600 -0.162 0.000 0.992 279 E CA -0.759 55.598 56.400 -0.072 0.000 0.938 279 E CB 0.061 29.747 29.700 -0.022 0.000 0.933 279 E HN 0.412 8.772 8.360 -0.000 0.000 0.453 280 P HA 0.040 4.460 4.420 -0.000 0.000 0.263 280 P C -0.200 177.004 177.300 -0.159 0.000 1.448 280 P CA 0.254 63.263 63.100 -0.152 0.000 0.983 280 P CB 0.172 31.769 31.700 -0.171 0.000 1.481 281 Y N 1.562 121.848 120.300 -0.024 0.000 2.578 281 Y HA -0.038 4.514 4.550 0.004 0.000 0.297 281 Y C 2.114 177.959 175.900 -0.091 0.000 1.176 281 Y CA 0.433 58.498 58.100 -0.058 0.000 1.315 281 Y CB -0.987 37.312 38.460 -0.269 0.000 1.031 281 Y HN 0.150 8.430 8.280 -0.000 0.000 0.524 282 N N -0.467 118.196 118.700 -0.062 0.000 2.521 282 N HA -0.119 4.624 4.740 0.004 0.000 0.188 282 N C -0.404 175.003 175.510 -0.172 0.000 1.146 282 N CA 0.559 53.536 53.050 -0.122 0.000 0.893 282 N CB -0.490 37.872 38.487 -0.207 0.000 0.975 282 N HN 0.280 8.660 8.380 -0.000 0.000 0.451 283 H N 0.629 119.789 119.070 0.150 0.000 2.459 283 H HA 0.144 4.702 4.556 0.003 0.000 0.332 283 H C 1.310 176.742 175.328 0.172 0.000 1.094 283 H CA -0.585 55.542 56.048 0.132 0.000 1.224 283 H CB 2.825 32.629 29.762 0.071 0.000 1.449 283 H HN -0.055 8.225 8.280 -0.000 0.000 0.484 284 V N 1.297 121.363 119.914 0.253 0.000 2.759 284 V HA -0.188 3.934 4.120 0.004 0.000 0.256 284 V C 1.884 178.073 176.094 0.159 0.000 1.080 284 V CA 1.834 64.250 62.300 0.193 0.000 1.101 284 V CB -0.621 31.279 31.823 0.128 0.000 0.698 284 V HN 0.699 8.889 8.190 -0.000 0.000 0.477 285 S N 0.064 115.859 115.700 0.157 0.000 2.474 285 S HA -0.103 4.369 4.470 0.004 0.000 0.235 285 S C 1.849 176.528 174.600 0.131 0.000 0.997 285 S CA 1.352 59.619 58.200 0.111 0.000 0.949 285 S CB -0.294 62.949 63.200 0.072 0.000 0.766 285 S HN 0.648 8.958 8.310 -0.000 0.000 0.517 286 K N -0.135 120.381 120.400 0.194 0.000 2.335 286 K HA 0.304 4.626 4.320 0.004 0.000 0.195 286 K C -0.493 176.337 176.600 0.383 0.000 1.058 286 K CA 0.017 56.445 56.287 0.235 0.000 0.988 286 K CB 0.274 32.888 32.500 0.191 0.000 0.880 286 K HN 0.477 8.727 8.250 -0.000 0.000 0.513 287 Y N -0.136 120.295 120.300 0.218 0.000 2.330 287 Y HA 0.251 4.804 4.550 0.004 0.000 0.324 287 Y C -0.720 175.273 175.900 0.154 0.000 1.093 287 Y CA -1.524 56.687 58.100 0.186 0.000 1.103 287 Y CB 1.225 39.800 38.460 0.192 0.000 1.183 287 Y HN 0.168 8.448 8.280 -0.000 0.000 0.433 288 C N 2.772 121.816 119.300 -0.428 0.000 3.486 288 C HA 0.703 5.165 4.460 0.004 0.000 0.264 288 C C 1.715 176.489 174.990 -0.360 0.000 1.756 288 C CA 0.366 59.212 59.018 -0.286 0.000 1.764 288 C CB -0.572 27.134 27.740 -0.056 0.000 3.238 288 C HN 0.930 9.160 8.230 -0.000 0.000 0.524 289 A N 2.017 124.407 122.820 -0.718 0.000 1.972 289 A HA 0.304 4.627 4.320 0.004 0.000 0.219 289 A C 1.251 178.837 177.584 0.003 0.000 1.169 289 A CA 1.845 53.736 52.037 -0.243 0.000 0.635 289 A CB -0.458 18.472 19.000 -0.117 0.000 0.810 289 A HN 1.283 9.433 8.150 -0.000 0.000 0.446 290 S N -2.913 112.668 115.700 -0.198 0.000 2.618 290 S HA 0.702 5.174 4.470 0.004 0.000 0.277 290 S C -0.427 174.229 174.600 0.093 0.000 1.138 290 S CA -0.633 57.586 58.200 0.032 0.000 0.844 290 S CB 1.302 64.413 63.200 -0.150 0.000 1.127 290 S HN 0.216 8.526 8.310 -0.000 0.000 0.474 291 L N 0.781 122.010 121.223 0.009 0.000 3.298 291 L HA 0.391 4.733 4.340 0.004 0.000 0.296 291 L C 1.958 178.616 176.870 -0.354 0.000 1.237 291 L CA -0.092 54.631 54.840 -0.195 0.000 1.038 291 L CB 0.160 42.135 42.059 -0.140 0.000 1.423 291 L HN 0.948 9.178 8.230 -0.000 0.000 0.605 292 G N 0.370 109.035 108.800 -0.224 0.000 2.448 292 G HA2 -0.248 3.714 3.960 0.004 0.000 0.219 292 G HA3 -0.248 3.714 3.960 0.004 0.000 0.219 292 G C 1.370 175.978 174.900 -0.487 0.000 1.127 292 G CA 0.881 45.852 45.100 -0.215 0.000 0.766 292 G HN 0.616 8.906 8.290 -0.000 0.000 0.552 293 H N 0.025 118.580 119.070 -0.858 0.000 2.561 293 H HA 0.162 4.720 4.556 0.003 0.000 0.278 293 H C 1.403 176.604 175.328 -0.211 0.000 1.014 293 H CA 0.901 56.502 56.048 -0.745 0.000 1.211 293 H CB 0.032 29.409 29.762 -0.642 0.000 1.365 293 H HN 0.183 8.463 8.280 -0.000 0.000 0.594 294 K N 1.035 121.092 120.400 -0.572 0.000 2.426 294 K HA 0.241 4.563 4.320 0.004 0.000 0.193 294 K C 0.691 177.205 176.600 -0.144 0.000 1.028 294 K CA 0.388 56.488 56.287 -0.311 0.000 1.047 294 K CB 0.358 32.655 32.500 -0.338 0.000 0.821 294 K HN 0.313 8.563 8.250 -0.000 0.000 0.513 295 A N 2.429 125.201 122.820 -0.081 0.000 2.404 295 A HA 0.178 4.500 4.320 0.004 0.000 0.273 295 A C 0.160 177.815 177.584 0.119 0.000 1.144 295 A CA -0.389 51.630 52.037 -0.030 0.000 0.806 295 A CB 0.087 19.088 19.000 0.002 0.000 1.080 295 A HN 0.124 8.274 8.150 -0.000 0.000 0.509 296 N N 0.644 119.335 118.700 -0.015 0.000 2.424 296 N HA 0.167 4.909 4.740 0.004 0.000 0.257 296 N C -0.118 175.316 175.510 -0.128 0.000 1.250 296 N CA -0.036 52.996 53.050 -0.030 0.000 0.946 296 N CB 0.469 38.855 38.487 -0.168 0.000 1.175 296 N HN 0.860 9.240 8.380 -0.000 0.000 0.477 297 H N -0.871 117.865 119.070 -0.557 0.000 2.562 297 H HA 0.373 4.931 4.556 0.004 0.000 0.352 297 H C -0.638 174.424 175.328 -0.444 0.000 1.125 297 H CA 0.152 55.750 56.048 -0.749 0.000 1.379 297 H CB 0.641 29.786 29.762 -1.028 0.000 1.464 297 H HN 0.304 8.584 8.280 -0.000 0.000 0.563 298 S N 3.642 118.552 115.700 -1.317 0.000 2.546 298 S HA 0.213 4.686 4.470 0.004 0.000 0.272 298 S C -0.292 173.552 174.600 -1.259 0.000 1.140 298 S CA -0.752 56.828 58.200 -1.035 0.000 0.920 298 S CB 0.343 63.249 63.200 -0.489 0.000 1.083 298 S HN 0.570 8.880 8.310 -0.000 0.000 0.476 299 F N 2.295 121.796 119.950 -0.749 0.000 2.748 299 F HA 0.132 4.661 4.527 0.003 0.000 0.299 299 F C 1.952 177.356 175.800 -0.660 0.000 1.154 299 F CA 0.766 58.285 58.000 -0.800 0.000 1.446 299 F CB 0.232 38.400 39.000 -1.387 0.000 1.112 299 F HN 0.660 8.960 8.300 -0.000 0.000 0.584 300 T N -0.745 113.637 114.554 -0.288 0.000 3.427 300 T HA 0.358 4.710 4.350 0.004 0.000 0.306 300 T C -2.548 172.053 174.700 -0.166 0.000 1.733 300 T CA -1.933 60.080 62.100 -0.145 0.000 1.599 300 T CB 0.366 69.213 68.868 -0.036 0.000 0.964 300 T HN -0.196 8.044 8.240 -0.000 0.000 0.701 301 P HA 0.316 4.736 4.420 -0.000 0.000 0.276 301 P C 0.002 177.218 177.300 -0.141 0.000 1.244 301 P CA -0.497 62.476 63.100 -0.212 0.000 0.801 301 P CB 0.961 32.515 31.700 -0.243 0.000 1.006 302 N N -0.675 117.940 118.700 -0.140 0.000 2.236 302 N HA 0.088 4.830 4.740 0.004 0.000 0.196 302 N C -0.300 175.151 175.510 -0.098 0.000 1.114 302 N CA -0.062 52.927 53.050 -0.102 0.000 0.859 302 N CB -0.461 37.970 38.487 -0.093 0.000 0.982 302 N HN 0.204 8.584 8.380 -0.000 0.000 0.493 303 C N 0.170 119.393 119.300 -0.129 0.000 3.154 303 C HA 0.766 5.228 4.460 0.004 0.000 0.312 303 C C -0.250 174.647 174.990 -0.155 0.000 1.349 303 C CA -1.273 57.670 59.018 -0.124 0.000 1.518 303 C CB 1.135 28.787 27.740 -0.146 0.000 1.934 303 C HN 0.440 8.670 8.230 -0.000 0.000 0.462 304 I N -1.347 119.147 120.570 -0.128 0.000 3.002 304 I HA 0.677 4.849 4.170 0.004 0.000 0.310 304 I C -1.477 174.558 176.117 -0.136 0.000 1.087 304 I CA -0.770 60.443 61.300 -0.145 0.000 1.017 304 I CB 0.999 38.983 38.000 -0.026 0.000 1.226 304 I HN 0.493 8.703 8.210 -0.000 0.000 0.443 305 Y N 1.088 121.418 120.300 0.051 0.000 2.309 305 Y HA 0.575 5.127 4.550 0.003 0.000 0.327 305 Y C -0.065 175.878 175.900 0.072 0.000 1.172 305 Y CA 0.040 58.174 58.100 0.057 0.000 1.280 305 Y CB 0.440 38.908 38.460 0.014 0.000 1.234 305 Y HN 0.527 8.807 8.280 -0.000 0.000 0.512 306 D N 1.125 121.690 120.400 0.275 0.000 2.661 306 D HA 0.357 5.000 4.640 0.004 0.000 0.228 306 D C -0.790 175.657 176.300 0.246 0.000 1.183 306 D CA -0.694 53.440 54.000 0.223 0.000 0.844 306 D CB 1.498 42.429 40.800 0.218 0.000 1.555 306 D HN 0.222 8.592 8.370 -0.000 0.000 0.453 307 M N 1.562 121.283 119.600 0.200 0.000 2.252 307 M HA 0.258 4.740 4.480 0.004 0.000 0.333 307 M C -0.348 176.127 176.300 0.292 0.000 1.111 307 M CA 0.206 55.620 55.300 0.190 0.000 1.140 307 M CB -0.243 32.427 32.600 0.116 0.000 1.538 307 M HN 0.406 8.696 8.290 -0.000 0.000 0.448 308 F N 0.929 120.944 119.950 0.108 0.000 2.615 308 F HA 0.487 5.016 4.527 0.004 0.000 0.312 308 F C -1.278 174.518 175.800 -0.007 0.000 1.119 308 F CA -0.840 57.228 58.000 0.113 0.000 0.979 308 F CB 1.363 40.524 39.000 0.269 0.000 1.266 308 F HN 0.190 8.490 8.300 -0.000 0.000 0.444 309 V N 5.843 125.361 119.914 -0.661 0.000 2.311 309 V HA 0.281 4.403 4.120 0.004 0.000 0.275 309 V C -0.406 175.344 176.094 -0.573 0.000 1.022 309 V CA -0.524 61.413 62.300 -0.604 0.000 0.830 309 V CB 0.767 31.904 31.823 -1.145 0.000 1.012 309 V HN 0.672 8.862 8.190 -0.000 0.000 0.452 310 H N 8.289 127.240 119.070 -0.198 0.000 2.458 310 H HA 0.385 4.944 4.556 0.004 0.000 0.330 310 H C -1.809 173.290 175.328 -0.383 0.000 1.111 310 H CA -2.043 53.864 56.048 -0.234 0.000 1.245 310 H CB 2.882 32.611 29.762 -0.055 0.000 1.456 310 H HN 0.314 8.594 8.280 -0.000 0.000 0.488 311 P HA -0.092 4.328 4.420 -0.000 0.000 0.221 311 P C 1.336 178.584 177.300 -0.087 0.000 1.150 311 P CA 0.951 63.782 63.100 -0.448 0.000 0.800 311 P CB 0.755 32.002 31.700 -0.754 0.000 0.787 312 R N -0.930 119.523 120.500 -0.079 0.000 2.074 312 R HA 0.073 4.415 4.340 0.004 0.000 0.218 312 R C 2.073 178.178 176.300 -0.324 0.000 1.137 312 R CA 0.754 56.688 56.100 -0.278 0.000 0.998 312 R CB -0.387 29.538 30.300 -0.625 0.000 0.895 312 R HN -0.022 8.248 8.270 -0.000 0.000 0.442 313 F N 0.877 120.806 119.950 -0.035 0.000 2.558 313 F HA 0.314 4.844 4.527 0.004 0.000 0.298 313 F C 1.558 177.343 175.800 -0.026 0.000 1.119 313 F CA 0.759 58.665 58.000 -0.158 0.000 1.451 313 F CB -0.477 38.346 39.000 -0.295 0.000 1.091 313 F HN 0.405 8.705 8.300 -0.000 0.000 0.563 314 G N 0.158 109.131 108.800 0.287 0.000 2.593 314 G HA2 -0.233 3.730 3.960 0.004 0.000 0.237 314 G HA3 -0.233 3.730 3.960 0.004 0.000 0.237 314 G C -2.829 172.175 174.900 0.174 0.000 1.312 314 G CA -1.002 44.286 45.100 0.314 0.000 0.896 314 G HN 0.050 8.340 8.290 -0.000 0.000 0.574 315 P HA 0.494 4.914 4.420 -0.000 0.000 0.275 315 P C 0.288 177.646 177.300 0.096 0.000 1.276 315 P CA 0.215 63.358 63.100 0.073 0.000 0.782 315 P CB 0.181 31.907 31.700 0.043 0.000 0.851 316 I N -0.376 120.283 120.570 0.149 0.000 3.660 316 I HA 0.651 4.823 4.170 0.004 0.000 0.287 316 I C -0.638 175.583 176.117 0.174 0.000 1.142 316 I CA -1.446 59.937 61.300 0.139 0.000 1.121 316 I CB 1.643 39.738 38.000 0.158 0.000 1.373 316 I HN -0.074 8.136 8.210 -0.000 0.000 0.473 317 K N 0.269 120.768 120.400 0.164 0.000 2.350 317 K HA 0.679 5.001 4.320 0.004 0.000 0.241 317 K C -1.201 175.597 176.600 0.330 0.000 0.994 317 K CA -0.711 55.702 56.287 0.210 0.000 0.839 317 K CB 2.238 34.760 32.500 0.037 0.000 1.244 317 K HN 0.890 9.140 8.250 -0.000 0.000 0.443 318 C N -0.834 118.677 119.300 0.351 0.000 2.913 318 C HA 0.696 5.158 4.460 0.004 0.000 0.322 318 C C -0.202 174.939 174.990 0.252 0.000 1.292 318 C CA -1.118 58.062 59.018 0.269 0.000 1.649 318 C CB 0.029 27.860 27.740 0.152 0.000 2.139 318 C HN 0.745 8.975 8.230 -0.000 0.000 0.475 319 I N 2.027 122.670 120.570 0.122 0.000 2.321 319 I HA 0.497 4.670 4.170 0.004 0.000 0.291 319 I C 0.301 176.428 176.117 0.016 0.000 0.998 319 I CA -0.012 61.327 61.300 0.065 0.000 1.227 319 I CB 0.788 38.793 38.000 0.008 0.000 1.368 319 I HN 0.732 8.942 8.210 -0.000 0.000 0.466 320 R N 4.644 125.162 120.500 0.030 0.000 2.534 320 R HA 0.424 4.766 4.340 0.004 0.000 0.301 320 R C -0.388 175.917 176.300 0.009 0.000 0.961 320 R CA -0.516 55.613 56.100 0.049 0.000 0.871 320 R CB 1.732 32.094 30.300 0.104 0.000 1.170 320 R HN 0.760 9.030 8.270 -0.000 0.000 0.446 321 T N 2.044 116.603 114.554 0.009 0.000 2.926 321 T HA 0.133 4.486 4.350 0.004 0.000 0.307 321 T C 1.173 175.873 174.700 0.001 0.000 1.059 321 T CA -0.595 61.499 62.100 -0.011 0.000 1.122 321 T CB 0.666 69.528 68.868 -0.009 0.000 0.972 321 T HN 0.559 8.799 8.240 -0.000 0.000 0.545 322 L N -0.140 121.074 121.223 -0.015 0.000 2.616 322 L HA 0.469 4.811 4.340 0.004 0.000 0.229 322 L C 0.750 177.619 176.870 -0.000 0.000 1.110 322 L CA -0.362 54.476 54.840 -0.002 0.000 0.884 322 L CB -0.701 41.353 42.059 -0.009 0.000 1.115 322 L HN 0.857 9.087 8.230 -0.000 0.000 0.481 323 R N -0.672 119.824 120.500 -0.007 0.000 2.795 323 R HA 0.854 5.196 4.340 0.004 0.000 0.268 323 R C -0.688 175.610 176.300 -0.003 0.000 1.041 323 R CA -0.499 55.599 56.100 -0.003 0.000 0.927 323 R CB 0.592 30.887 30.300 -0.008 0.000 1.235 323 R HN -0.059 8.211 8.270 -0.000 0.000 0.463 324 A N 0.961 123.782 122.820 0.001 0.000 2.561 324 A HA 0.391 4.713 4.320 0.004 0.000 0.234 324 A C -0.140 177.440 177.584 -0.006 0.000 1.055 324 A CA 0.046 52.084 52.037 0.001 0.000 0.756 324 A CB 0.163 19.165 19.000 0.004 0.000 0.986 324 A HN 0.379 8.529 8.150 -0.000 0.000 0.505 325 V N 2.842 122.752 119.914 -0.007 0.000 2.876 325 V HA 0.339 4.462 4.120 0.004 0.000 0.312 325 V C 0.050 176.144 176.094 -0.001 0.000 1.085 325 V CA -0.695 61.598 62.300 -0.012 0.000 0.945 325 V CB 1.956 33.763 31.823 -0.027 0.000 1.017 325 V HN 1.060 9.250 8.190 -0.000 0.000 0.428 326 E N 1.539 121.743 120.200 0.007 0.000 2.280 326 E HA 0.671 5.023 4.350 0.004 0.000 0.264 326 E C -0.033 176.587 176.600 0.035 0.000 1.064 326 E CA -0.606 55.805 56.400 0.019 0.000 0.900 326 E CB 1.479 31.192 29.700 0.023 0.000 1.123 326 E HN 0.877 9.237 8.360 -0.000 0.000 0.418 327 A N 2.001 124.846 122.820 0.042 0.000 2.540 327 A HA -0.004 4.319 4.320 0.004 0.000 0.239 327 A C 0.173 177.817 177.584 0.101 0.000 1.061 327 A CA 0.224 52.301 52.037 0.067 0.000 0.758 327 A CB -0.078 18.953 19.000 0.052 0.000 0.991 327 A HN 0.835 8.985 8.150 -0.000 0.000 0.502 328 D N -0.441 120.061 120.400 0.169 0.000 3.079 328 D HA -0.161 4.481 4.640 0.004 0.000 0.214 328 D C 0.254 176.709 176.300 0.259 0.000 1.145 328 D CA 1.661 55.803 54.000 0.237 0.000 0.958 328 D CB -1.110 39.792 40.800 0.169 0.000 1.117 328 D HN 0.935 9.305 8.370 -0.000 0.000 0.416 329 E N 1.108 121.406 120.200 0.163 0.000 2.338 329 E HA 0.182 4.534 4.350 0.004 0.000 0.272 329 E C 0.078 176.692 176.600 0.023 0.000 1.029 329 E CA -0.331 56.134 56.400 0.107 0.000 0.872 329 E CB 0.817 30.529 29.700 0.020 0.000 1.015 329 E HN 0.136 8.496 8.360 -0.000 0.000 0.417 330 E N 3.992 124.107 120.200 -0.141 0.000 2.344 330 E HA 0.078 4.430 4.350 0.004 0.000 0.270 330 E C -0.774 175.575 176.600 -0.418 0.000 1.021 330 E CA -0.283 55.712 56.400 -0.676 0.000 0.887 330 E CB 0.566 29.805 29.700 -0.768 0.000 0.997 330 E HN 0.442 8.802 8.360 -0.000 0.000 0.429 331 L N 4.433 125.383 121.223 -0.454 0.000 2.292 331 L HA 0.382 4.724 4.340 0.004 0.000 0.284 331 L C 0.225 176.926 176.870 -0.281 0.000 1.065 331 L CA -0.503 54.161 54.840 -0.293 0.000 0.806 331 L CB 1.222 43.135 42.059 -0.243 0.000 1.175 331 L HN 0.647 8.877 8.230 -0.000 0.000 0.431 332 T N 0.060 114.473 114.554 -0.235 0.000 2.903 332 T HA 0.804 5.157 4.350 0.004 0.000 0.299 332 T C -0.614 173.941 174.700 -0.240 0.000 1.093 332 T CA -0.735 61.223 62.100 -0.236 0.000 1.002 332 T CB 2.189 70.894 68.868 -0.271 0.000 1.127 332 T HN 0.203 8.443 8.240 -0.000 0.000 0.488 333 V N 0.555 120.326 119.914 -0.238 0.000 3.007 333 V HA 0.827 4.949 4.120 0.004 0.000 0.311 333 V C 0.231 176.186 176.094 -0.232 0.000 1.120 333 V CA -1.377 60.750 62.300 -0.289 0.000 0.980 333 V CB 1.987 33.479 31.823 -0.551 0.000 1.033 333 V HN 1.355 9.545 8.190 -0.000 0.000 0.429 334 A N 1.305 124.008 122.820 -0.194 0.000 2.396 334 A HA 0.476 4.798 4.320 0.004 0.000 0.279 334 A C 0.310 178.074 177.584 0.300 0.000 1.165 334 A CA -0.047 51.948 52.037 -0.069 0.000 0.824 334 A CB -0.217 18.762 19.000 -0.035 0.000 1.100 334 A HN 0.771 8.921 8.150 -0.000 0.000 0.516 335 Y N 2.293 122.774 120.300 0.302 0.000 2.421 335 Y HA 0.056 4.608 4.550 0.003 0.000 0.292 335 Y C 2.111 177.868 175.900 -0.237 0.000 1.136 335 Y CA 0.636 58.727 58.100 -0.014 0.000 1.255 335 Y CB -0.686 37.557 38.460 -0.362 0.000 0.991 335 Y HN 1.081 9.361 8.280 -0.000 0.000 0.552 336 G N -0.608 108.253 108.800 0.103 0.000 2.246 336 G HA2 -0.317 3.645 3.960 0.004 0.000 0.273 336 G HA3 -0.317 3.645 3.960 0.004 0.000 0.273 336 G C -0.366 174.542 174.900 0.012 0.000 1.055 336 G CA -0.095 45.050 45.100 0.076 0.000 0.851 336 G HN 0.229 8.519 8.290 -0.000 0.000 0.500 337 Y N -0.005 120.357 120.300 0.103 0.000 2.357 337 Y HA 0.380 4.933 4.550 0.004 0.000 0.340 337 Y C 1.032 176.982 175.900 0.083 0.000 1.260 337 Y CA -1.132 56.967 58.100 -0.001 0.000 1.425 337 Y CB 0.463 38.708 38.460 -0.360 0.000 1.326 337 Y HN 0.209 8.489 8.280 -0.000 0.000 0.580 338 D N 0.905 121.472 120.400 0.277 0.000 2.371 338 D HA 0.020 4.662 4.640 0.004 0.000 0.256 338 D C 0.374 176.861 176.300 0.312 0.000 1.193 338 D CA 0.369 54.479 54.000 0.183 0.000 0.881 338 D CB 0.207 41.092 40.800 0.142 0.000 1.143 338 D HN 0.662 9.032 8.370 -0.000 0.000 0.473 339 H N 0.977 120.157 119.070 0.183 0.000 2.563 339 H HA 0.172 4.731 4.556 0.004 0.000 0.264 339 H C -0.004 175.387 175.328 0.105 0.000 0.957 339 H CA -0.163 55.986 56.048 0.167 0.000 1.173 339 H CB 0.684 30.552 29.762 0.177 0.000 1.420 339 H HN 0.122 8.402 8.280 -0.000 0.000 0.551 340 S N 1.822 117.639 115.700 0.196 0.000 2.564 340 S HA 0.152 4.624 4.470 0.004 0.000 0.141 340 S C -2.365 172.289 174.600 0.089 0.000 1.474 340 S CA -1.038 57.235 58.200 0.121 0.000 1.236 340 S CB 1.211 64.472 63.200 0.102 0.000 1.481 340 S HN 0.188 8.498 8.310 -0.000 0.000 0.397 347 P HA 0.397 4.817 4.420 -0.000 0.000 0.276 347 P C -0.883 176.459 177.300 0.070 0.000 1.230 347 P CA -0.111 63.058 63.100 0.114 0.000 0.776 347 P CB 1.388 33.156 31.700 0.113 0.000 0.888 348 E N 2.422 122.689 120.200 0.112 0.000 1.865 348 E HA 0.483 4.835 4.350 0.004 0.000 0.269 348 E C -0.901 175.704 176.600 0.009 0.000 1.177 348 E CA -0.162 56.315 56.400 0.129 0.000 0.932 348 E CB -0.796 29.007 29.700 0.172 0.000 1.066 348 E HN 0.507 8.867 8.360 -0.000 0.000 0.405 349 A N 4.531 127.144 122.820 -0.346 0.000 2.566 349 A HA 0.617 4.939 4.320 0.004 0.000 0.290 349 A C -2.832 173.815 177.584 -1.561 0.000 1.071 349 A CA -1.380 49.927 52.037 -1.215 0.000 0.658 349 A CB 1.063 19.540 19.000 -0.872 0.000 1.285 349 A HN 0.428 8.578 8.150 -0.000 0.000 0.427 350 P HA 0.459 4.879 4.420 -0.000 0.000 0.274 350 P C 0.997 177.822 177.300 -0.791 0.000 1.246 350 P CA 0.765 63.092 63.100 -1.289 0.000 0.795 350 P CB 0.441 31.511 31.700 -1.050 0.000 1.006 351 E N 2.590 122.543 120.200 -0.411 0.000 2.038 351 E HA -0.202 4.150 4.350 0.004 0.000 0.195 351 E C 1.810 178.327 176.600 -0.139 0.000 1.000 351 E CA 2.106 58.388 56.400 -0.197 0.000 0.803 351 E CB -1.884 27.790 29.700 -0.044 0.000 0.750 351 E HN 0.801 9.161 8.360 -0.000 0.000 0.448 352 W N -0.682 120.606 121.300 -0.020 0.000 2.331 352 W HA -0.218 4.444 4.660 0.003 0.000 0.291 352 W C 2.116 178.665 176.519 0.050 0.000 1.214 352 W CA 1.146 58.501 57.345 0.016 0.000 1.228 352 W CB -0.893 28.579 29.460 0.021 0.000 1.135 352 W HN 0.419 8.599 8.180 -0.000 0.000 0.537 353 Y N 2.188 121.962 120.300 -0.876 0.000 2.206 353 Y HA -0.133 4.418 4.550 0.003 0.000 0.292 353 Y C 2.993 178.720 175.900 -0.288 0.000 1.123 353 Y CA 2.497 60.111 58.100 -0.810 0.000 1.142 353 Y CB -0.667 36.981 38.460 -1.352 0.000 1.006 353 Y HN -0.082 8.198 8.280 -0.000 0.000 0.518 354 Q N -0.556 119.186 119.800 -0.097 0.000 2.061 354 Q HA -0.205 4.137 4.340 0.004 0.000 0.204 354 Q C 2.296 178.252 176.000 -0.073 0.000 0.984 354 Q CA 2.053 57.813 55.803 -0.072 0.000 0.846 354 Q CB -0.441 28.241 28.738 -0.092 0.000 0.902 354 Q HN 0.388 8.658 8.270 -0.000 0.000 0.421 355 V N 1.025 120.919 119.914 -0.034 0.000 2.490 355 V HA -0.255 3.867 4.120 0.004 0.000 0.250 355 V C 2.180 178.290 176.094 0.027 0.000 1.061 355 V CA 2.083 64.388 62.300 0.007 0.000 1.064 355 V CB -0.406 31.450 31.823 0.054 0.000 0.670 355 V HN 0.385 8.575 8.190 -0.000 0.000 0.461 356 E N 0.072 120.308 120.200 0.060 0.000 2.107 356 E HA -0.190 4.162 4.350 0.004 0.000 0.191 356 E C 1.949 178.593 176.600 0.074 0.000 0.982 356 E CA 1.042 57.528 56.400 0.144 0.000 0.809 356 E CB -0.256 29.600 29.700 0.260 0.000 0.756 356 E HN 0.428 8.788 8.360 -0.000 0.000 0.459 357 L N 0.593 121.745 121.223 -0.118 0.000 2.093 357 L HA -0.101 4.241 4.340 0.004 0.000 0.208 357 L C 1.692 178.396 176.870 -0.277 0.000 1.085 357 L CA 1.648 56.218 54.840 -0.450 0.000 0.755 357 L CB -0.411 41.353 42.059 -0.491 0.000 0.904 357 L HN -0.044 8.186 8.230 -0.000 0.000 0.435 358 K N 0.455 120.763 120.400 -0.154 0.000 1.987 358 K HA -0.148 4.174 4.320 0.004 0.000 0.216 358 K C 2.174 178.718 176.600 -0.094 0.000 1.051 358 K CA 1.765 57.986 56.287 -0.110 0.000 0.942 358 K CB -1.364 31.098 32.500 -0.064 0.000 0.722 358 K HN 0.444 8.694 8.250 -0.000 0.000 0.444 359 A N 1.331 124.125 122.820 -0.042 0.000 1.884 359 A HA -0.235 4.088 4.320 0.004 0.000 0.219 359 A C 2.206 179.786 177.584 -0.006 0.000 1.197 359 A CA 2.013 54.046 52.037 -0.007 0.000 0.637 359 A CB -0.987 18.040 19.000 0.045 0.000 0.827 359 A HN 0.338 8.488 8.150 -0.000 0.000 0.450 360 F N 0.721 120.558 119.950 -0.188 0.000 2.091 360 F HA -0.245 4.284 4.527 0.003 0.000 0.299 360 F C 2.454 178.124 175.800 -0.216 0.000 1.103 360 F CA 2.329 60.186 58.000 -0.237 0.000 1.228 360 F CB -0.723 37.952 39.000 -0.542 0.000 0.984 360 F HN 0.376 8.676 8.300 -0.000 0.000 0.477 361 Q N -0.108 119.471 119.800 -0.367 0.000 2.124 361 Q HA -0.155 4.187 4.340 0.004 0.000 0.202 361 Q C 2.484 178.311 176.000 -0.288 0.000 0.977 361 Q CA 1.424 56.993 55.803 -0.391 0.000 0.850 361 Q CB -0.511 28.079 28.738 -0.246 0.000 0.901 361 Q HN 0.545 8.815 8.270 -0.000 0.000 0.429 362 A N 0.992 123.696 122.820 -0.193 0.000 1.873 362 A HA -0.263 4.059 4.320 0.004 0.000 0.218 362 A C 2.317 179.814 177.584 -0.145 0.000 1.193 362 A CA 2.244 54.201 52.037 -0.133 0.000 0.629 362 A CB -1.405 17.547 19.000 -0.080 0.000 0.826 362 A HN 0.562 8.712 8.150 -0.000 0.000 0.447 363 T N -3.222 111.233 114.554 -0.163 0.000 3.025 363 T HA 0.049 4.401 4.350 0.004 0.000 0.270 363 T C 1.729 176.314 174.700 -0.192 0.000 1.126 363 T CA 1.865 63.881 62.100 -0.139 0.000 1.105 363 T CB -0.588 68.232 68.868 -0.080 0.000 0.884 363 T HN 0.734 8.974 8.240 -0.000 0.000 0.522 364 Q N -0.100 119.526 119.800 -0.290 0.000 2.444 364 Q HA 0.358 4.701 4.340 0.004 0.000 0.206 364 Q C 0.862 176.766 176.000 -0.161 0.000 0.948 364 Q CA 0.528 56.166 55.803 -0.274 0.000 0.946 364 Q CB -0.459 28.047 28.738 -0.386 0.000 1.027 364 Q HN 0.921 9.191 8.270 -0.000 0.000 0.513 365 Q N 0.000 119.724 119.800 -0.127 0.000 2.315 365 Q HA 0.000 4.342 4.340 0.004 0.000 0.214 365 Q CA 0.000 55.752 55.803 -0.084 0.000 1.022 365 Q CB 0.000 28.693 28.738 -0.075 0.000 1.108 365 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481