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 2k7n_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAAIPPDSWQ PPNVYLETSM GIIVLELYWK HAPKTCKNFA ELARRGYYNG DATA SEQUENCE TKFHRIIKDF MIQGGDPTGT GRGGASIYGK QFEDELHPDL KFTGAGILAM DATA SEQUENCE ANAGPDTNGS QFFVTLAPTQ WLDGKHTIFG RVCQGIGMVN RVGMVETNSQ DATA SEQUENCE DRPVDDVKII KAYPSGGGGS GGGSGGGSGG GSGDGGAFPE IHVAQYPLDM DATA SEQUENCE GRK 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 1 M HA 0.000 4.485 4.480 0.008 0.000 0.227 1 M C 0.000 176.303 176.300 0.004 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 A N 3.566 126.390 122.820 0.006 0.000 2.311 2 A HA 0.490 4.808 4.320 -0.004 0.000 0.306 2 A C -1.351 176.236 177.584 0.005 0.000 1.189 2 A CA 0.051 52.090 52.037 0.003 0.000 0.791 2 A CB 1.112 20.117 19.000 0.009 0.000 1.172 2 A HN 0.442 8.598 8.150 0.009 0.000 0.481 3 A N 2.761 125.581 122.820 0.000 0.000 1.935 3 A HA -0.052 4.277 4.320 0.015 0.000 0.214 3 A C -0.252 177.337 177.584 0.009 0.000 1.178 3 A CA 1.264 53.307 52.037 0.009 0.000 0.640 3 A CB 0.304 19.313 19.000 0.014 0.000 0.825 3 A HN 0.693 8.837 8.150 -0.010 0.000 0.447 4 I N -0.492 120.076 120.570 -0.003 0.000 2.439 4 I HA 0.188 4.365 4.170 0.012 0.000 0.283 4 I C -2.760 173.359 176.117 0.004 0.000 1.023 4 I CA -2.839 58.462 61.300 0.002 0.000 1.100 4 I CB 1.888 39.884 38.000 -0.007 0.000 1.238 4 I HN -0.512 7.688 8.210 -0.016 0.000 0.445 5 P HA 0.424 4.859 4.420 0.025 0.000 0.280 5 P C -1.883 175.436 177.300 0.032 0.000 1.300 5 P CA -1.231 61.883 63.100 0.024 0.000 0.785 5 P CB -0.351 31.364 31.700 0.025 0.000 0.874 6 P HA -0.080 4.370 4.420 0.049 0.000 0.215 6 P C -0.556 176.784 177.300 0.067 0.000 1.157 6 P CA 0.295 63.429 63.100 0.056 0.000 0.856 6 P CB 0.702 32.447 31.700 0.074 0.000 0.786 7 D N -1.471 118.971 120.400 0.070 0.000 2.890 7 D HA -0.263 4.421 4.640 0.073 0.000 0.226 7 D C -1.522 174.832 176.300 0.090 0.000 1.207 7 D CA 1.101 55.144 54.000 0.072 0.000 0.764 7 D CB -0.593 40.240 40.800 0.055 0.000 0.948 7 D HN 0.424 8.834 8.370 0.067 0.000 0.404 8 S N -4.379 111.392 115.700 0.119 0.000 2.636 8 S HA 0.014 4.574 4.470 0.151 0.000 0.266 8 S C -1.881 172.861 174.600 0.238 0.000 1.116 8 S CA -0.492 57.803 58.200 0.158 0.000 0.893 8 S CB 1.528 64.812 63.200 0.139 0.000 1.171 8 S HN -0.275 8.108 8.310 0.122 0.000 0.482 9 W N 2.100 123.426 121.300 0.044 0.000 2.314 9 W HA 0.112 4.785 4.660 0.021 0.000 0.310 9 W C -1.640 174.908 176.519 0.047 0.000 1.075 9 W CA -0.586 56.777 57.345 0.030 0.000 1.253 9 W CB 0.497 29.964 29.460 0.012 0.000 1.238 9 W HN -0.017 8.367 8.180 0.340 0.000 0.440 10 Q N 7.839 127.459 119.800 -0.300 0.000 2.466 10 Q HA 0.327 4.486 4.340 -0.301 0.000 0.242 10 Q C -2.274 173.261 176.000 -0.775 0.000 1.046 10 Q CA -2.457 53.139 55.803 -0.345 0.000 0.841 10 Q CB 0.078 28.881 28.738 0.108 0.000 1.193 10 Q HN 0.056 8.253 8.270 -0.121 0.000 0.508 11 P HA 0.080 3.890 4.420 -1.017 0.000 0.269 11 P C -1.243 175.722 177.300 -0.558 0.000 1.209 11 P CA -1.522 61.006 63.100 -0.954 0.000 0.776 11 P CB 0.260 31.427 31.700 -0.887 0.000 0.876 12 P HA -0.130 3.931 4.420 -0.598 0.000 0.234 12 P C -1.460 175.814 177.300 -0.044 0.000 1.167 12 P CA 0.936 63.715 63.100 -0.534 0.000 0.763 12 P CB 0.668 31.946 31.700 -0.703 0.000 0.835 13 N N -3.286 115.348 118.700 -0.110 0.000 2.225 13 N HA 0.299 5.164 4.740 -0.008 -0.130 0.298 13 N C -2.188 173.285 175.510 -0.062 0.000 1.076 13 N CA -1.081 51.941 53.050 -0.046 0.000 0.792 13 N CB 3.399 41.867 38.487 -0.032 0.000 1.498 13 N HN -0.738 7.406 8.380 -0.218 0.106 0.474 14 V N -2.126 117.749 119.914 -0.065 0.000 3.078 14 V HA 0.606 4.756 4.120 -0.086 -0.082 0.311 14 V C -2.807 173.261 176.094 -0.043 0.000 1.138 14 V CA -2.788 59.443 62.300 -0.114 0.000 1.007 14 V CB 3.223 34.900 31.823 -0.243 0.000 1.045 14 V HN 0.981 9.130 8.190 -0.068 0.000 0.432 15 Y N -1.989 118.270 120.300 -0.068 0.000 2.376 15 Y HA 0.548 5.192 4.550 -0.056 -0.128 0.340 15 Y C -2.296 173.579 175.900 -0.041 0.000 0.965 15 Y CA -3.211 54.867 58.100 -0.037 0.000 1.078 15 Y CB 1.926 40.396 38.460 0.017 0.000 1.193 15 Y HN 0.233 8.280 8.280 -0.388 0.000 0.452 16 L N 3.896 125.161 121.223 0.070 0.000 2.301 16 L HA 0.372 4.677 4.340 -0.059 0.000 0.278 16 L C -0.179 176.793 176.870 0.171 0.000 1.022 16 L CA -1.120 53.742 54.840 0.037 0.000 0.854 16 L CB 0.170 42.234 42.059 0.008 0.000 1.226 16 L HN 0.949 9.121 8.230 0.105 0.122 0.429 17 E N 5.501 125.828 120.200 0.211 0.000 2.129 17 E HA 0.282 4.876 4.350 0.196 -0.126 0.283 17 E C -0.019 176.679 176.600 0.163 0.000 1.080 17 E CA -0.141 56.383 56.400 0.206 0.000 0.867 17 E CB 0.137 29.981 29.700 0.239 0.000 1.056 17 E HN 0.850 9.330 8.360 0.200 0.000 0.404 18 T N 0.703 115.360 114.554 0.172 0.000 2.880 18 T HA 0.619 5.268 4.350 0.169 -0.199 0.279 18 T C 0.293 175.075 174.700 0.138 0.000 0.990 18 T CA -2.651 59.560 62.100 0.185 0.000 0.938 18 T CB 2.190 71.233 68.868 0.290 0.000 1.206 18 T HN 0.428 8.661 8.240 0.169 0.109 0.573 19 S N -0.778 115.001 115.700 0.132 0.000 2.474 19 S HA -0.089 4.432 4.470 0.084 0.000 0.235 19 S C 1.344 175.991 174.600 0.079 0.000 0.997 19 S CA 2.253 60.510 58.200 0.095 0.000 0.949 19 S CB 0.090 63.343 63.200 0.088 0.000 0.766 19 S HN 0.044 8.450 8.310 0.160 0.000 0.517 20 M N -0.893 118.759 119.600 0.086 0.000 2.429 20 M HA 0.125 4.631 4.480 0.044 0.000 0.265 20 M C 0.740 177.072 176.300 0.054 0.000 1.120 20 M CA 0.536 55.869 55.300 0.055 0.000 1.173 20 M CB 1.416 34.035 32.600 0.032 0.000 1.343 20 M HN -0.679 7.625 8.290 0.117 0.056 0.464 21 G N -2.828 106.017 108.800 0.074 0.000 2.725 21 G HA2 0.127 4.123 3.960 0.060 0.000 0.098 21 G HA3 0.127 4.119 3.960 0.053 0.000 0.098 21 G C -3.186 171.771 174.900 0.095 0.000 1.188 21 G CA 0.171 45.312 45.100 0.068 0.000 1.237 21 G HN -0.321 8.029 8.290 0.099 0.000 0.596 22 I N 0.429 121.052 120.570 0.088 0.000 2.619 22 I HA 0.569 4.995 4.170 0.150 -0.167 0.292 22 I C -2.423 173.760 176.117 0.109 0.000 1.100 22 I CA -1.751 59.618 61.300 0.115 0.000 1.043 22 I CB 3.400 41.457 38.000 0.095 0.000 1.239 22 I HN -0.087 8.163 8.210 0.066 0.000 0.420 23 I N 7.256 127.910 120.570 0.140 0.000 2.420 23 I HA 0.323 4.546 4.170 0.088 0.000 0.282 23 I C -1.595 174.575 176.117 0.088 0.000 1.019 23 I CA -2.550 58.822 61.300 0.119 0.000 1.130 23 I CB 0.187 38.301 38.000 0.191 0.000 1.262 23 I HN 0.917 9.101 8.210 0.168 0.126 0.454 24 V N 8.904 128.856 119.914 0.064 0.000 2.439 24 V HA 0.561 4.884 4.120 0.065 -0.164 0.282 24 V C -1.095 174.994 176.094 -0.008 0.000 1.039 24 V CA -0.725 61.605 62.300 0.049 0.000 0.913 24 V CB 0.725 32.587 31.823 0.065 0.000 0.983 24 V HN -0.069 8.155 8.190 0.055 0.000 0.460 25 L N 2.619 123.806 121.223 -0.060 0.000 2.469 25 L HA 0.991 5.436 4.340 -0.047 -0.133 0.256 25 L C -2.462 174.358 176.870 -0.084 0.000 1.006 25 L CA -1.592 53.192 54.840 -0.093 0.000 0.832 25 L CB 4.130 46.077 42.059 -0.188 0.000 1.421 25 L HN 0.874 9.061 8.230 -0.072 0.000 0.410 26 E N -2.942 117.240 120.200 -0.029 0.000 2.359 26 E HA 0.758 5.214 4.350 0.030 -0.087 0.266 26 E C -1.522 175.142 176.600 0.106 0.000 0.920 26 E CA -2.143 54.286 56.400 0.047 0.000 0.788 26 E CB 3.618 33.369 29.700 0.084 0.000 1.279 26 E HN 0.688 8.931 8.360 -0.015 0.107 0.438 27 L N -2.415 118.956 121.223 0.246 0.000 2.322 27 L HA 0.383 4.832 4.340 0.182 0.000 0.269 27 L C 0.294 177.455 176.870 0.485 0.000 1.012 27 L CA -2.629 52.373 54.840 0.271 0.000 0.815 27 L CB 1.839 43.973 42.059 0.125 0.000 1.295 27 L HN 0.225 8.658 8.230 0.338 0.000 0.438 28 Y N 0.953 121.324 120.300 0.118 0.000 2.636 28 Y HA 0.099 4.780 4.550 0.217 0.000 0.341 28 Y C 0.381 176.295 175.900 0.025 0.000 1.169 28 Y CA -0.981 57.203 58.100 0.141 0.000 1.498 28 Y CB -2.156 36.429 38.460 0.208 0.000 1.362 28 Y HN -0.216 8.329 8.280 0.442 0.000 0.494 29 W N 2.752 124.079 121.300 0.046 0.000 3.077 29 W HA -0.011 4.637 4.660 -0.019 0.000 0.245 29 W C 0.217 176.720 176.519 -0.027 0.000 1.316 29 W CA 0.906 58.245 57.345 -0.011 0.000 1.537 29 W CB -0.648 28.796 29.460 -0.025 0.000 1.131 29 W HN -0.290 8.260 8.180 0.617 0.000 0.695 30 K N -3.139 117.366 120.400 0.176 0.000 2.076 30 K HA -0.149 4.225 4.320 0.089 0.000 0.204 30 K C 0.197 176.870 176.600 0.122 0.000 1.051 30 K CA 1.967 58.316 56.287 0.103 0.000 0.949 30 K CB -0.346 32.163 32.500 0.014 0.000 0.726 30 K HN -0.034 8.221 8.250 0.180 0.103 0.443 31 H N -4.521 114.556 119.070 0.012 0.000 3.643 31 H HA 0.125 4.675 4.556 -0.011 0.000 0.256 31 H C -1.261 173.879 175.328 -0.313 0.000 1.107 31 H CA -0.267 55.751 56.048 -0.050 0.000 1.175 31 H CB 2.627 32.467 29.762 0.131 0.000 1.519 31 H HN -0.606 7.786 8.280 0.186 0.000 0.565 32 A N 1.373 123.972 122.820 -0.369 0.000 2.644 32 A HA 0.533 4.519 4.320 -0.556 0.000 0.343 32 A C -2.229 175.134 177.584 -0.368 0.000 1.324 32 A CA -3.320 48.364 52.037 -0.589 0.000 0.846 32 A CB -0.026 18.337 19.000 -1.061 0.000 1.128 32 A HN -0.394 7.652 8.150 -0.174 0.000 0.484 33 P HA 0.045 4.309 4.420 -0.260 0.000 0.229 33 P C 0.579 177.681 177.300 -0.331 0.000 1.160 33 P CA 1.061 64.006 63.100 -0.258 0.000 0.777 33 P CB 0.516 32.118 31.700 -0.164 0.000 0.814 34 K N -2.740 117.457 120.400 -0.339 0.000 2.121 34 K HA -0.019 4.006 4.320 -0.492 0.000 0.203 34 K C 1.677 177.992 176.600 -0.474 0.000 1.041 34 K CA 3.082 59.092 56.287 -0.461 0.000 0.969 34 K CB -0.612 31.569 32.500 -0.531 0.000 0.799 34 K HN 0.347 8.378 8.250 -0.291 0.044 0.456 35 T N 2.197 116.548 114.554 -0.337 0.000 2.720 35 T HA -0.345 3.864 4.350 -0.236 0.000 0.268 35 T C 1.915 176.509 174.700 -0.178 0.000 1.037 35 T CA 4.565 66.555 62.100 -0.183 0.000 1.144 35 T CB -0.641 68.246 68.868 0.031 0.000 0.864 35 T HN 0.004 8.068 8.240 -0.294 0.000 0.444 36 C N -1.973 117.073 119.300 -0.424 0.000 2.425 36 C HA -0.357 3.821 4.460 -0.470 0.000 0.277 36 C C 1.735 176.195 174.990 -0.883 0.000 1.280 36 C CA 3.257 61.779 59.018 -0.826 0.000 1.744 36 C CB -0.256 26.491 27.740 -1.654 0.000 1.989 36 C HN -0.312 7.649 8.230 -0.448 0.000 0.491 37 K N 0.999 120.955 120.400 -0.740 0.000 2.103 37 K HA -0.243 3.754 4.320 -0.539 0.000 0.204 37 K C 1.903 178.295 176.600 -0.347 0.000 1.052 37 K CA 2.915 58.889 56.287 -0.521 0.000 0.945 37 K CB -0.369 31.878 32.500 -0.421 0.000 0.722 37 K HN -0.701 7.045 8.250 -0.667 0.104 0.443 38 N N 0.520 118.967 118.700 -0.423 0.000 2.025 38 N HA -0.283 4.195 4.740 -0.438 0.000 0.194 38 N C 2.192 177.517 175.510 -0.308 0.000 1.044 38 N CA 3.225 55.996 53.050 -0.466 0.000 0.851 38 N CB -0.285 37.787 38.487 -0.692 0.000 1.036 38 N HN -0.006 8.088 8.380 -0.476 0.000 0.422 39 F N -1.172 118.718 119.950 -0.100 0.000 2.134 39 F HA -0.162 4.460 4.527 0.157 0.000 0.299 39 F C 2.371 178.234 175.800 0.104 0.000 1.097 39 F CA 3.581 61.620 58.000 0.065 0.000 1.264 39 F CB -0.486 38.538 39.000 0.041 0.000 1.001 39 F HN -0.463 7.707 8.300 -0.216 0.000 0.479 40 A N -1.097 121.840 122.820 0.196 0.000 1.908 40 A HA -0.407 4.043 4.320 0.215 0.000 0.218 40 A C 1.935 179.599 177.584 0.133 0.000 1.181 40 A CA 3.276 55.428 52.037 0.191 0.000 0.627 40 A CB -0.893 18.275 19.000 0.280 0.000 0.818 40 A HN -0.178 8.033 8.150 0.103 0.000 0.445 41 E N -0.788 119.440 120.200 0.047 0.000 2.058 41 E HA -0.314 4.064 4.350 0.046 0.000 0.194 41 E C 2.528 179.157 176.600 0.048 0.000 0.997 41 E CA 3.077 59.492 56.400 0.025 0.000 0.801 41 E CB -0.307 29.366 29.700 -0.044 0.000 0.746 41 E HN 0.062 8.297 8.360 -0.019 0.113 0.450 42 L N -2.313 118.935 121.223 0.041 0.000 2.291 42 L HA -0.131 4.201 4.340 -0.013 0.000 0.214 42 L C 1.968 178.985 176.870 0.246 0.000 1.120 42 L CA 1.776 56.633 54.840 0.027 0.000 0.799 42 L CB -1.364 40.536 42.059 -0.266 0.000 0.925 42 L HN -0.227 8.014 8.230 0.020 0.000 0.446 43 A N 0.585 123.635 122.820 0.383 0.000 1.872 43 A HA -0.257 4.406 4.320 0.573 0.000 0.214 43 A C 1.700 179.378 177.584 0.157 0.000 1.187 43 A CA 3.155 55.406 52.037 0.357 0.000 0.614 43 A CB -0.302 18.817 19.000 0.198 0.000 0.826 43 A HN 0.274 8.487 8.150 0.329 0.134 0.442 44 R N -3.975 116.598 120.500 0.122 0.000 2.276 44 R HA -0.181 4.220 4.340 0.102 0.000 0.203 44 R C 1.904 178.261 176.300 0.095 0.000 1.017 44 R CA 1.483 57.643 56.100 0.100 0.000 1.010 44 R CB -0.682 29.672 30.300 0.090 0.000 0.900 44 R HN -0.180 8.168 8.270 0.129 0.000 0.469 45 R N -0.147 120.408 120.500 0.091 0.000 2.055 45 R HA 0.007 4.386 4.340 0.065 0.000 0.226 45 R C 0.815 177.156 176.300 0.068 0.000 1.135 45 R CA 0.126 56.269 56.100 0.072 0.000 0.959 45 R CB 0.539 30.873 30.300 0.057 0.000 0.854 45 R HN -0.410 7.778 8.270 0.106 0.146 0.431 46 G N -1.893 106.954 108.800 0.078 0.000 2.455 46 G HA2 -0.314 3.627 3.960 -0.033 0.000 0.169 46 G HA3 -0.314 3.648 3.960 0.003 0.000 0.169 46 G C -1.545 173.375 174.900 0.034 0.000 1.074 46 G CA -0.346 44.767 45.100 0.021 0.000 0.796 46 G HN -0.239 8.124 8.290 0.122 0.000 0.489 47 Y N -2.312 117.932 120.300 -0.093 0.000 2.397 47 Y HA -0.025 4.441 4.550 -0.140 0.000 0.292 47 Y C 0.073 175.844 175.900 -0.214 0.000 1.115 47 Y CA 0.903 58.883 58.100 -0.200 0.000 1.208 47 Y CB 1.763 40.028 38.460 -0.324 0.000 1.046 47 Y HN -0.331 8.063 8.280 0.190 0.000 0.552 48 Y N -2.621 117.493 120.300 -0.310 0.000 2.571 48 Y HA -0.119 4.015 4.550 -0.693 0.000 0.294 48 Y C 1.181 176.897 175.900 -0.305 0.000 1.141 48 Y CA 2.189 60.052 58.100 -0.395 0.000 1.308 48 Y CB -0.831 37.543 38.460 -0.143 0.000 1.002 48 Y HN -0.156 8.161 8.280 0.061 0.000 0.551 49 N N -3.408 115.218 118.700 -0.124 0.000 2.567 49 N HA -0.101 4.708 4.740 -0.087 -0.121 0.195 49 N C 0.380 175.823 175.510 -0.112 0.000 1.242 49 N CA 0.741 53.725 53.050 -0.110 0.000 0.884 49 N CB -1.083 37.337 38.487 -0.112 0.000 1.007 49 N HN 0.031 8.280 8.380 -0.118 0.060 0.450 50 G N -2.108 106.582 108.800 -0.185 0.000 4.765 50 G HA2 0.302 4.199 3.960 -0.105 0.000 0.276 50 G HA3 0.302 4.174 3.960 -0.148 0.000 0.276 50 G C -2.060 172.708 174.900 -0.219 0.000 0.986 50 G CA 0.043 45.046 45.100 -0.162 0.000 0.755 50 G HN -0.649 7.354 8.290 -0.278 0.121 0.391 51 T N -2.340 112.055 114.554 -0.265 0.000 2.942 51 T HA 0.317 4.510 4.350 -0.263 0.000 0.289 51 T C -1.750 172.822 174.700 -0.213 0.000 1.044 51 T CA -1.891 60.035 62.100 -0.290 0.000 1.023 51 T CB 2.188 70.798 68.868 -0.431 0.000 1.123 51 T HN -0.469 7.554 8.240 -0.228 0.080 0.512 52 K N -1.376 118.894 120.400 -0.216 0.000 2.480 52 K HA 0.360 4.575 4.320 -0.175 0.000 0.258 52 K C -1.526 174.933 176.600 -0.234 0.000 0.990 52 K CA -1.462 54.727 56.287 -0.164 0.000 0.857 52 K CB 3.378 35.867 32.500 -0.017 0.000 1.384 52 K HN 0.051 8.170 8.250 -0.219 0.000 0.446 53 F N 0.014 119.979 119.950 0.024 0.000 2.444 53 F HA 0.131 4.784 4.527 -0.019 -0.138 0.360 53 F C -0.251 175.588 175.800 0.066 0.000 1.106 53 F CA 1.110 59.122 58.000 0.021 0.000 1.170 53 F CB -0.186 38.829 39.000 0.025 0.000 1.113 53 F HN 0.678 9.084 8.300 0.176 0.000 0.521 54 H N 5.659 124.780 119.070 0.084 0.000 2.553 54 H HA 0.067 4.641 4.556 0.031 0.000 0.276 54 H C 0.038 175.384 175.328 0.030 0.000 0.979 54 H CA 1.268 57.335 56.048 0.031 0.000 1.268 54 H CB 2.013 31.768 29.762 -0.012 0.000 1.450 54 H HN 0.433 8.865 8.280 0.233 -0.013 0.527 55 R N -0.732 119.814 120.500 0.076 0.000 2.483 55 R HA 0.290 4.570 4.340 -0.100 0.000 0.303 55 R C -2.122 174.196 176.300 0.030 0.000 0.987 55 R CA -1.741 54.350 56.100 -0.015 0.000 0.881 55 R CB 1.424 31.709 30.300 -0.026 0.000 1.177 55 R HN -0.640 7.732 8.270 0.170 0.000 0.451 56 I N 4.855 125.415 120.570 -0.016 0.000 2.537 56 I HA 0.235 4.422 4.170 0.027 0.000 0.276 56 I C -0.833 175.265 176.117 -0.031 0.000 1.063 56 I CA -0.399 60.898 61.300 -0.006 0.000 1.144 56 I CB 0.306 38.291 38.000 -0.024 0.000 1.252 56 I HN 0.490 8.666 8.210 -0.058 0.000 0.480 57 I N 7.771 128.336 120.570 -0.007 0.000 2.354 57 I HA 0.195 4.315 4.170 -0.085 0.000 0.292 57 I C -0.908 175.257 176.117 0.081 0.000 0.989 57 I CA -1.377 59.901 61.300 -0.036 0.000 1.188 57 I CB 1.738 39.616 38.000 -0.204 0.000 1.342 57 I HN 0.574 8.812 8.210 0.046 0.000 0.457 58 K N 7.653 128.082 120.400 0.048 0.000 2.451 58 K HA -0.174 4.436 4.320 0.071 -0.247 0.280 58 K C -0.661 176.034 176.600 0.158 0.000 1.020 58 K CA 1.383 57.718 56.287 0.079 0.000 1.008 58 K CB 0.230 32.754 32.500 0.040 0.000 0.917 58 K HN 0.293 8.541 8.250 -0.002 0.000 0.478 59 D N -2.940 117.557 120.400 0.161 0.000 2.911 59 D HA -0.354 4.379 4.640 0.156 0.000 0.227 59 D C -1.389 175.093 176.300 0.304 0.000 1.164 59 D CA 1.984 56.098 54.000 0.190 0.000 0.782 59 D CB -1.440 39.454 40.800 0.156 0.000 1.094 59 D HN 0.399 8.843 8.370 0.123 0.000 0.425 60 F N -3.443 116.604 119.950 0.161 0.000 1.996 60 F HA 0.336 5.131 4.527 0.447 0.000 0.222 60 F C -1.872 174.099 175.800 0.285 0.000 1.203 60 F CA 1.286 59.440 58.000 0.257 0.000 1.296 60 F CB 2.734 41.781 39.000 0.079 0.000 1.782 60 F HN -0.451 8.024 8.300 0.339 0.028 0.334 61 M N -6.000 113.927 119.600 0.546 0.000 2.643 61 M HA 0.588 5.454 4.480 0.374 -0.162 0.276 61 M C -2.459 174.014 176.300 0.289 0.000 1.200 61 M CA 0.012 55.566 55.300 0.424 0.000 0.863 61 M CB 4.474 37.368 32.600 0.489 0.000 1.711 61 M HN -0.647 7.972 8.290 0.549 0.000 0.492 62 I N -0.477 120.268 120.570 0.293 0.000 2.466 62 I HA 0.692 5.206 4.170 0.160 -0.248 0.279 62 I C -1.096 175.221 176.117 0.334 0.000 1.033 62 I CA -1.296 60.138 61.300 0.222 0.000 1.123 62 I CB 1.721 39.777 38.000 0.093 0.000 1.237 62 I HN 0.949 9.271 8.210 0.377 0.113 0.460 63 Q N 8.767 128.719 119.800 0.253 0.000 2.288 63 Q HA 0.200 4.838 4.340 0.283 -0.128 0.258 63 Q C -1.096 174.983 176.000 0.131 0.000 0.957 63 Q CA -0.885 55.034 55.803 0.194 0.000 0.919 63 Q CB 1.678 30.463 28.738 0.079 0.000 1.185 63 Q HN 0.721 8.992 8.270 0.176 0.104 0.408 64 G N 4.132 112.778 108.800 -0.257 0.000 2.566 64 G HA2 0.741 4.554 3.960 -0.468 0.000 0.311 64 G HA3 0.741 4.027 3.960 -1.123 0.000 0.311 64 G C -2.199 172.202 174.900 -0.832 0.000 1.322 64 G CA -1.197 43.468 45.100 -0.724 0.000 0.969 64 G HN 0.746 8.690 8.290 -0.386 0.114 0.490 65 G N 3.853 112.367 108.800 -0.476 0.000 2.217 65 G HA2 -0.200 3.622 3.960 -0.230 0.000 0.173 65 G HA3 -0.200 3.702 3.960 -0.098 0.000 0.173 65 G C -2.062 172.742 174.900 -0.161 0.000 1.324 65 G CA -0.079 44.884 45.100 -0.229 0.000 1.225 65 G HN 0.818 8.715 8.290 -0.450 0.124 0.494 66 D N -0.113 120.264 120.400 -0.038 0.000 3.400 66 D HA -0.251 4.397 4.640 0.013 0.000 0.226 66 D C -1.473 174.754 176.300 -0.121 0.000 1.152 66 D CA 0.129 54.085 54.000 -0.073 0.000 1.008 66 D CB 0.009 40.697 40.800 -0.188 0.000 0.866 66 D HN -0.269 8.161 8.370 0.101 0.000 0.402 67 P HA -0.036 4.418 4.420 -0.136 -0.116 0.229 67 P C 0.204 177.460 177.300 -0.073 0.000 1.160 67 P CA 1.219 64.259 63.100 -0.099 0.000 0.777 67 P CB 0.641 32.296 31.700 -0.075 0.000 0.814 68 T N -5.257 109.258 114.554 -0.065 0.000 2.978 68 T HA -0.139 4.182 4.350 -0.048 0.000 0.262 68 T C 1.700 176.349 174.700 -0.085 0.000 1.063 68 T CA 0.626 62.689 62.100 -0.062 0.000 1.140 68 T CB 0.538 69.376 68.868 -0.051 0.000 0.886 68 T HN -0.751 7.480 8.240 -0.055 -0.024 0.470 69 G N 3.151 111.860 108.800 -0.152 0.000 2.160 69 G HA2 -0.325 3.384 3.960 -0.419 0.000 0.244 69 G HA3 -0.325 3.567 3.960 -0.113 0.000 0.244 69 G C -0.468 174.346 174.900 -0.142 0.000 1.022 69 G CA 0.547 45.524 45.100 -0.206 0.000 0.741 69 G HN 0.455 8.946 8.290 -0.174 -0.305 0.508 70 T N -0.636 113.844 114.554 -0.123 0.000 2.959 70 T HA 0.128 4.457 4.350 -0.034 0.000 0.254 70 T C 0.405 175.078 174.700 -0.045 0.000 1.003 70 T CA 0.129 62.194 62.100 -0.058 0.000 0.950 70 T CB 1.158 70.003 68.868 -0.038 0.000 1.090 70 T HN -0.444 7.931 8.240 -0.137 -0.216 0.503 71 G N 2.494 111.248 108.800 -0.077 0.000 2.192 71 G HA2 -0.272 3.667 3.960 -0.035 0.000 0.193 71 G HA3 -0.272 3.692 3.960 0.007 0.000 0.193 71 G C -0.913 173.988 174.900 0.003 0.000 0.999 71 G CA 0.369 45.454 45.100 -0.025 0.000 0.659 71 G HN -0.130 8.463 8.290 -0.129 -0.381 0.503 72 R N -2.179 118.313 120.500 -0.012 0.000 2.521 72 R HA 0.258 4.619 4.340 0.035 0.000 0.289 72 R C -0.106 176.191 176.300 -0.006 0.000 0.936 72 R CA -1.523 54.581 56.100 0.007 0.000 1.089 72 R CB 0.767 31.067 30.300 0.001 0.000 1.348 72 R HN -0.418 7.829 8.270 -0.034 0.003 0.536 73 G N -0.400 108.389 108.800 -0.019 0.000 2.645 73 G HA2 -0.450 3.632 3.960 0.008 0.000 0.239 73 G HA3 -0.450 3.535 3.960 0.041 0.000 0.239 73 G C -0.440 174.450 174.900 -0.018 0.000 1.331 73 G CA 0.473 45.577 45.100 0.008 0.000 0.890 73 G HN -0.698 7.839 8.290 -0.040 -0.271 0.572 74 G N 0.815 109.622 108.800 0.011 0.000 2.632 74 G HA2 -0.143 3.781 3.960 -0.061 0.000 0.220 74 G HA3 -0.143 3.820 3.960 0.004 0.000 0.220 74 G C -0.610 174.159 174.900 -0.219 0.000 1.439 74 G CA 0.175 45.237 45.100 -0.063 0.000 0.934 74 G HN 0.356 8.726 8.290 0.132 0.000 0.536 75 A N -0.585 122.020 122.820 -0.358 0.000 2.832 75 A HA -0.291 3.746 4.320 -0.473 0.000 0.280 75 A C 0.358 177.565 177.584 -0.628 0.000 1.464 75 A CA 0.617 52.354 52.037 -0.501 0.000 0.804 75 A CB -1.580 17.153 19.000 -0.446 0.000 1.020 75 A HN 0.182 8.093 8.150 -0.397 0.000 0.563 76 S N -3.163 112.316 115.700 -0.369 0.000 2.607 76 S HA -0.238 4.023 4.470 -0.348 0.000 0.224 76 S C 1.300 175.752 174.600 -0.247 0.000 0.969 76 S CA 1.185 59.208 58.200 -0.295 0.000 0.927 76 S CB -0.481 62.620 63.200 -0.165 0.000 0.772 76 S HN 0.185 8.320 8.310 -0.274 0.011 0.533 77 I N -3.527 116.903 120.570 -0.233 0.000 2.546 77 I HA -0.173 3.959 4.170 -0.065 0.000 0.255 77 I C -0.020 176.093 176.117 -0.008 0.000 1.163 77 I CA 1.395 62.647 61.300 -0.080 0.000 1.457 77 I CB -0.295 37.698 38.000 -0.012 0.000 1.092 77 I HN -0.550 7.398 8.210 -0.292 0.087 0.434 78 Y N -4.954 115.295 120.300 -0.085 0.000 2.467 78 Y HA 0.258 4.779 4.550 -0.048 0.000 0.250 78 Y C 0.721 176.601 175.900 -0.032 0.000 1.155 78 Y CA -1.792 56.273 58.100 -0.058 0.000 1.249 78 Y CB 0.612 39.028 38.460 -0.074 0.000 1.146 78 Y HN -0.822 7.140 8.280 -0.500 0.018 0.524 79 G N 2.020 110.667 108.800 -0.254 0.000 5.426 79 G HA2 -0.512 3.347 3.960 -0.169 0.000 0.297 79 G HA3 -0.512 3.409 3.960 -0.065 0.000 0.297 79 G C 0.080 174.875 174.900 -0.174 0.000 1.422 79 G CA 0.558 45.560 45.100 -0.163 0.000 0.938 79 G HN -0.310 7.573 8.290 -0.408 0.163 0.754 80 K N 3.675 124.052 120.400 -0.039 0.000 2.520 80 K HA 0.248 4.549 4.320 -0.033 0.000 0.256 80 K C -1.282 175.379 176.600 0.103 0.000 1.033 80 K CA -0.389 55.907 56.287 0.015 0.000 1.007 80 K CB 1.157 33.692 32.500 0.059 0.000 1.330 80 K HN -0.132 8.101 8.250 0.043 0.043 0.507 81 Q N -2.206 117.678 119.800 0.141 0.000 2.193 81 Q HA 0.147 4.715 4.340 0.380 0.000 0.246 81 Q C -1.694 174.476 176.000 0.283 0.000 0.959 81 Q CA -1.240 54.709 55.803 0.244 0.000 0.904 81 Q CB 1.890 30.708 28.738 0.134 0.000 1.238 81 Q HN 0.022 8.342 8.270 0.083 0.000 0.469 82 F N 0.818 120.837 119.950 0.114 0.000 2.523 82 F HA 0.267 4.804 4.527 0.017 0.000 0.329 82 F C -1.088 174.720 175.800 0.013 0.000 1.061 82 F CA -1.967 56.042 58.000 0.014 0.000 0.967 82 F CB 3.314 42.243 39.000 -0.119 0.000 1.218 82 F HN -0.399 8.117 8.300 0.359 0.000 0.480 83 E N 2.042 121.709 120.200 -0.889 0.000 2.458 83 E HA -0.264 3.906 4.350 -0.300 0.000 0.264 83 E C -1.249 175.262 176.600 -0.148 0.000 1.097 83 E CA 0.443 56.536 56.400 -0.513 0.000 0.973 83 E CB 0.552 29.845 29.700 -0.678 0.000 0.963 83 E HN 0.086 7.264 8.360 -1.971 0.000 0.451 84 D N 0.300 120.667 120.400 -0.054 0.000 2.344 84 D HA -0.176 4.614 4.640 0.100 -0.090 0.253 84 D C -0.535 175.821 176.300 0.092 0.000 1.255 84 D CA 0.417 54.448 54.000 0.051 0.000 0.894 84 D CB -0.189 40.634 40.800 0.038 0.000 1.067 84 D HN 0.265 8.583 8.370 -0.088 0.000 0.492 85 E N 2.743 123.051 120.200 0.181 0.000 2.394 85 E HA 0.065 4.531 4.350 0.194 0.000 0.191 85 E C -1.057 175.710 176.600 0.279 0.000 1.044 85 E CA -0.996 55.546 56.400 0.237 0.000 0.939 85 E CB -0.322 29.555 29.700 0.295 0.000 1.089 85 E HN 0.180 8.666 8.360 0.210 0.000 0.456 86 L N -0.316 121.034 121.223 0.212 0.000 2.774 86 L HA -0.191 4.269 4.340 0.199 0.000 0.279 86 L C 0.066 177.087 176.870 0.253 0.000 1.137 86 L CA 1.061 56.019 54.840 0.198 0.000 1.021 86 L CB -1.229 40.911 42.059 0.136 0.000 1.366 86 L HN -0.410 7.801 8.230 0.166 0.118 0.471 87 H N 3.733 122.873 119.070 0.116 0.000 3.124 87 H HA 0.300 4.883 4.556 0.044 0.000 0.328 87 H C -2.572 172.741 175.328 -0.026 0.000 1.478 87 H CA -1.893 54.206 56.048 0.085 0.000 1.627 87 H CB 2.191 32.050 29.762 0.161 0.000 2.050 87 H HN -0.069 8.347 8.280 0.226 0.000 0.641 88 P HA 0.132 4.061 4.420 -0.818 0.000 0.266 88 P C -0.894 176.036 177.300 -0.618 0.000 1.419 88 P CA -0.089 62.672 63.100 -0.564 0.000 1.112 88 P CB -0.305 31.180 31.700 -0.358 0.000 1.438 89 D N 3.045 123.067 120.400 -0.629 0.000 2.219 89 D HA -0.178 4.167 4.640 -0.491 0.000 0.205 89 D C 0.507 176.717 176.300 -0.150 0.000 0.970 89 D CA 3.319 57.067 54.000 -0.419 0.000 0.851 89 D CB 0.360 40.923 40.800 -0.394 0.000 0.943 89 D HN -0.026 7.969 8.370 -0.625 0.000 0.488 90 L N -6.571 114.539 121.223 -0.188 0.000 2.490 90 L HA 0.734 5.279 4.340 0.341 0.000 0.245 90 L C -0.416 176.295 176.870 -0.264 0.000 1.185 90 L CA -1.508 53.312 54.840 -0.034 0.000 0.813 90 L CB 1.354 43.364 42.059 -0.082 0.000 1.233 90 L HN -0.548 7.427 8.230 -0.386 0.024 0.489 91 K N -2.775 117.464 120.400 -0.269 0.000 2.443 91 K HA 0.335 4.217 4.320 -0.730 0.000 0.251 91 K C -0.309 176.005 176.600 -0.477 0.000 0.972 91 K CA -2.186 53.744 56.287 -0.596 0.000 0.833 91 K CB 2.904 34.974 32.500 -0.716 0.000 1.317 91 K HN -0.539 7.665 8.250 -0.077 0.000 0.441 92 F N -1.175 118.671 119.950 -0.174 0.000 2.685 92 F HA 0.171 4.581 4.527 -0.195 0.000 0.349 92 F C 0.061 175.739 175.800 -0.203 0.000 1.294 92 F CA -1.802 56.078 58.000 -0.200 0.000 1.201 92 F CB -2.737 36.115 39.000 -0.246 0.000 1.615 92 F HN 0.496 7.595 8.300 -2.001 0.000 0.674 93 T N -0.955 113.543 114.554 -0.094 0.000 2.777 93 T HA -0.184 4.101 4.350 -0.109 0.000 0.266 93 T C 0.255 174.750 174.700 -0.341 0.000 1.040 93 T CA 2.018 64.032 62.100 -0.143 0.000 1.141 93 T CB 0.678 69.488 68.868 -0.097 0.000 0.868 93 T HN -0.009 8.132 8.240 -0.108 0.034 0.444 94 G N -1.026 107.551 108.800 -0.372 0.000 2.694 94 G HA2 0.011 3.351 3.960 -1.035 0.000 0.246 94 G HA3 0.011 3.632 3.960 -0.853 -0.172 0.246 94 G C -2.947 171.782 174.900 -0.285 0.000 1.205 94 G CA -0.823 43.871 45.100 -0.677 0.000 0.891 94 G HN -0.824 7.332 8.290 -0.223 0.000 0.515 95 A N -1.081 121.639 122.820 -0.168 0.000 2.304 95 A HA 0.144 4.529 4.320 -0.026 -0.080 0.301 95 A C -0.488 177.055 177.584 -0.068 0.000 1.132 95 A CA -1.206 50.810 52.037 -0.035 0.000 0.819 95 A CB 1.556 20.597 19.000 0.069 0.000 1.094 95 A HN 0.028 8.068 8.150 -0.184 0.000 0.492 96 G N 0.128 108.901 108.800 -0.044 0.000 2.141 96 G HA2 -0.252 3.689 3.960 -0.031 0.000 0.164 96 G HA3 -0.252 3.644 3.960 -0.106 0.000 0.164 96 G C -1.602 173.248 174.900 -0.084 0.000 1.009 96 G CA -0.285 44.775 45.100 -0.066 0.000 0.677 96 G HN 0.989 9.166 8.290 -0.011 0.107 0.508 97 I N 0.202 120.729 120.570 -0.071 0.000 2.322 97 I HA 0.158 4.262 4.170 -0.110 0.000 0.292 97 I C -0.976 175.055 176.117 -0.143 0.000 1.060 97 I CA -2.171 59.066 61.300 -0.104 0.000 1.309 97 I CB -1.874 36.069 38.000 -0.096 0.000 1.415 97 I HN -0.600 7.584 8.210 -0.043 0.000 0.492 98 L N 9.882 131.003 121.223 -0.170 0.000 2.281 98 L HA 0.246 4.619 4.340 -0.197 -0.151 0.285 98 L C -1.952 174.705 176.870 -0.356 0.000 1.074 98 L CA -1.090 53.614 54.840 -0.225 0.000 0.817 98 L CB 0.224 42.170 42.059 -0.189 0.000 1.168 98 L HN -0.309 7.837 8.230 -0.140 0.000 0.434 99 A N 5.083 127.560 122.820 -0.572 0.000 2.430 99 A HA 0.394 4.499 4.320 -0.358 0.000 0.300 99 A C -2.577 174.769 177.584 -0.397 0.000 1.124 99 A CA -1.752 49.921 52.037 -0.608 0.000 0.766 99 A CB 3.969 22.435 19.000 -0.890 0.000 1.328 99 A HN 1.038 8.774 8.150 -0.691 0.000 0.424 100 M N 0.387 119.994 119.600 0.012 0.000 2.188 100 M HA 0.232 5.074 4.480 0.603 0.000 0.357 100 M C -1.918 174.640 176.300 0.429 0.000 1.204 100 M CA -0.367 55.165 55.300 0.386 0.000 1.095 100 M CB 2.674 35.545 32.600 0.451 0.000 1.604 100 M HN 0.543 8.740 8.290 0.025 0.108 0.464 101 A N 4.782 127.888 122.820 0.476 0.000 2.295 101 A HA 0.387 4.883 4.320 0.294 0.000 0.318 101 A C -1.710 176.081 177.584 0.343 0.000 1.134 101 A CA -1.741 50.524 52.037 0.380 0.000 0.827 101 A CB 2.551 21.738 19.000 0.310 0.000 1.136 101 A HN 0.708 9.072 8.150 0.539 0.110 0.493 102 N N -1.710 117.221 118.700 0.385 0.000 2.710 102 N HA 0.060 4.937 4.740 0.227 0.000 0.257 102 N C -1.944 173.724 175.510 0.263 0.000 1.327 102 N CA -0.464 52.770 53.050 0.307 0.000 0.861 102 N CB 2.109 40.782 38.487 0.310 0.000 1.532 102 N HN -0.073 8.566 8.380 0.432 0.000 0.499 103 A N -1.478 121.440 122.820 0.163 0.000 2.220 103 A HA 0.195 4.592 4.320 0.127 0.000 0.211 103 A C -1.057 176.578 177.584 0.086 0.000 1.176 103 A CA 0.291 52.396 52.037 0.114 0.000 0.834 103 A CB 1.095 20.140 19.000 0.074 0.000 0.868 103 A HN 0.507 8.645 8.150 0.145 0.099 0.488 104 G N -3.212 105.640 108.800 0.087 0.000 2.600 104 G HA2 0.188 4.168 3.960 0.034 0.000 0.296 104 G HA3 0.188 4.174 3.960 0.043 0.000 0.296 104 G C -2.306 172.627 174.900 0.055 0.000 1.387 104 G CA -0.342 44.789 45.100 0.052 0.000 0.781 104 G HN -0.882 7.435 8.290 0.113 0.041 0.482 105 P HA -0.214 4.227 4.420 0.035 0.000 0.214 105 P C -1.108 176.226 177.300 0.056 0.000 1.163 105 P CA 1.882 65.004 63.100 0.037 0.000 0.889 105 P CB 0.397 32.109 31.700 0.020 0.000 0.790 106 D N -9.571 110.854 120.400 0.042 0.000 2.501 106 D HA 0.046 4.775 4.640 0.051 -0.058 0.224 106 D C -0.442 175.896 176.300 0.063 0.000 1.202 106 D CA -0.413 53.608 54.000 0.036 0.000 0.829 106 D CB -0.352 40.437 40.800 -0.018 0.000 1.023 106 D HN 0.072 8.461 8.370 0.031 0.000 0.499 107 T N 3.378 117.980 114.554 0.081 0.000 3.218 107 T HA 0.102 4.505 4.350 0.088 0.000 0.236 107 T C -1.146 173.633 174.700 0.131 0.000 1.005 107 T CA -0.357 61.798 62.100 0.092 0.000 1.055 107 T CB -0.379 68.530 68.868 0.068 0.000 1.136 107 T HN -0.695 7.379 8.240 0.077 0.212 0.577 108 N N 2.421 121.221 118.700 0.166 0.000 2.497 108 N HA -0.143 4.715 4.740 0.198 0.000 0.271 108 N C -0.383 175.238 175.510 0.185 0.000 1.142 108 N CA 1.343 54.507 53.050 0.189 0.000 0.965 108 N CB 1.216 39.828 38.487 0.209 0.000 1.077 108 N HN -0.810 7.580 8.380 0.164 0.089 0.462 109 G N 1.230 110.117 108.800 0.145 0.000 3.217 109 G HA2 0.520 4.582 3.960 0.171 0.000 0.213 109 G HA3 0.520 4.524 3.960 0.073 0.000 0.213 109 G C -1.464 173.443 174.900 0.011 0.000 1.294 109 G CA -1.000 44.164 45.100 0.107 0.000 0.987 109 G HN -0.458 7.926 8.290 0.157 0.000 0.584 110 S N -1.502 114.152 115.700 -0.076 0.000 2.577 110 S HA 0.010 4.244 4.470 -0.394 0.000 0.219 110 S C 0.121 174.797 174.600 0.126 0.000 0.962 110 S CA 0.207 58.258 58.200 -0.248 0.000 0.921 110 S CB 0.493 63.259 63.200 -0.723 0.000 0.789 110 S HN 0.113 8.379 8.310 -0.073 0.000 0.497 111 Q N -0.696 119.251 119.800 0.245 0.000 2.221 111 Q HA 0.154 4.764 4.340 0.449 0.000 0.242 111 Q C -0.828 175.535 176.000 0.606 0.000 0.940 111 Q CA -0.934 55.093 55.803 0.373 0.000 0.896 111 Q CB 1.970 30.811 28.738 0.172 0.000 1.226 111 Q HN -0.697 7.570 8.270 0.147 0.091 0.463 112 F N -4.445 115.769 119.950 0.440 0.000 2.726 112 F HA 0.850 5.762 4.527 0.368 -0.164 0.324 112 F C -2.453 173.555 175.800 0.348 0.000 1.140 112 F CA -2.194 56.011 58.000 0.342 0.000 0.964 112 F CB 4.146 43.215 39.000 0.114 0.000 1.399 112 F HN 0.454 8.665 8.300 -0.149 0.000 0.491 113 F N -6.627 113.490 119.950 0.279 0.000 2.678 113 F HA 0.750 5.514 4.527 0.146 -0.149 0.308 113 F C -2.707 173.237 175.800 0.241 0.000 1.118 113 F CA -1.428 56.682 58.000 0.184 0.000 0.959 113 F CB 3.048 42.090 39.000 0.070 0.000 1.305 113 F HN 0.723 9.050 8.300 0.044 0.000 0.443 114 V N 0.720 120.844 119.914 0.350 0.000 2.581 114 V HA 0.707 5.042 4.120 0.029 -0.198 0.303 114 V C 0.110 176.371 176.094 0.278 0.000 1.041 114 V CA -2.208 60.207 62.300 0.191 0.000 0.907 114 V CB 2.500 34.426 31.823 0.171 0.000 0.994 114 V HN 0.470 8.828 8.190 0.442 0.097 0.442 115 T N 2.250 116.913 114.554 0.182 0.000 2.799 115 T HA 0.411 5.070 4.350 0.320 -0.117 0.286 115 T C 0.846 175.621 174.700 0.125 0.000 0.973 115 T CA -1.631 60.592 62.100 0.206 0.000 1.035 115 T CB 1.105 70.052 68.868 0.132 0.000 0.932 115 T HN 0.278 8.458 8.240 0.073 0.104 0.469 116 L N 3.787 125.103 121.223 0.155 0.000 2.558 116 L HA 0.058 4.454 4.340 0.093 0.000 0.225 116 L C -1.031 175.905 176.870 0.109 0.000 1.128 116 L CA 0.365 55.278 54.840 0.122 0.000 0.868 116 L CB -0.631 41.514 42.059 0.143 0.000 1.006 116 L HN 0.396 8.623 8.230 0.217 0.133 0.454 117 A N -3.938 118.927 122.820 0.076 0.000 2.602 117 A HA 0.400 4.774 4.320 0.090 0.000 0.290 117 A C -3.196 174.310 177.584 -0.131 0.000 1.114 117 A CA -2.054 49.999 52.037 0.028 0.000 0.683 117 A CB 1.015 20.051 19.000 0.059 0.000 1.281 117 A HN -0.814 7.325 8.150 0.078 0.058 0.416 118 P HA 0.018 4.348 4.420 -0.149 0.000 0.259 118 P C -1.270 175.526 177.300 -0.840 0.000 1.211 118 P CA 0.195 63.096 63.100 -0.332 0.000 0.810 118 P CB -0.846 30.710 31.700 -0.239 0.000 0.815 119 T N 2.827 116.898 114.554 -0.806 0.000 2.794 119 T HA 0.101 3.012 4.350 -2.399 0.000 0.304 119 T C -0.232 173.775 174.700 -1.155 0.000 0.973 119 T CA -1.644 59.648 62.100 -1.347 0.000 0.972 119 T CB 0.189 68.648 68.868 -0.683 0.000 0.952 119 T HN -0.117 7.890 8.240 -0.388 0.000 0.509 120 Q N 3.435 122.395 119.800 -1.399 0.000 2.247 120 Q HA 0.148 4.210 4.340 -0.465 0.000 0.211 120 Q C 0.493 176.304 176.000 -0.316 0.000 0.861 120 Q CA -0.633 54.692 55.803 -0.796 0.000 0.949 120 Q CB -0.582 27.631 28.738 -0.873 0.000 1.115 120 Q HN 0.194 7.450 8.270 -1.690 0.000 0.507 121 W N -2.192 119.027 121.300 -0.136 0.000 3.290 121 W HA 0.149 4.785 4.660 -0.039 0.000 0.287 121 W C -1.131 175.396 176.519 0.015 0.000 1.288 121 W CA -1.369 55.944 57.345 -0.053 0.000 1.725 121 W CB -0.703 28.721 29.460 -0.061 0.000 1.103 121 W HN -0.378 6.956 8.180 -1.289 0.074 0.670 122 L N -8.178 113.192 121.223 0.245 0.000 3.333 122 L HA 0.354 4.838 4.340 0.239 0.000 0.299 122 L C 0.314 177.299 176.870 0.190 0.000 1.256 122 L CA -0.992 54.022 54.840 0.289 0.000 1.037 122 L CB 0.955 43.319 42.059 0.509 0.000 1.423 122 L HN -0.959 7.195 8.230 -0.027 0.060 0.605 123 D N 2.491 122.962 120.400 0.119 0.000 2.158 123 D HA -0.299 4.406 4.640 0.107 0.000 0.197 123 D C 0.493 176.848 176.300 0.091 0.000 0.995 123 D CA 3.602 57.667 54.000 0.107 0.000 0.846 123 D CB 0.127 41.000 40.800 0.123 0.000 0.941 123 D HN -0.388 8.033 8.370 0.086 0.000 0.456 124 G N -5.276 103.576 108.800 0.087 0.000 3.774 124 G HA2 0.160 4.171 3.960 0.084 0.000 0.287 124 G HA3 0.160 4.161 3.960 0.068 0.000 0.287 124 G C -0.283 174.644 174.900 0.044 0.000 1.030 124 G CA -0.802 44.342 45.100 0.073 0.000 0.824 124 G HN -0.022 8.302 8.290 0.090 0.020 0.518 125 K N -2.206 118.207 120.400 0.021 0.000 2.436 125 K HA 0.256 4.515 4.320 -0.101 0.000 0.198 125 K C -0.105 176.322 176.600 -0.288 0.000 1.174 125 K CA -0.107 56.097 56.287 -0.138 0.000 0.951 125 K CB 2.013 34.403 32.500 -0.184 0.000 1.040 125 K HN -0.345 7.756 8.250 0.075 0.194 0.536 126 H N -0.641 118.558 119.070 0.215 0.000 2.782 126 H HA 0.375 5.281 4.556 0.264 -0.192 0.347 126 H C -0.690 174.760 175.328 0.203 0.000 1.038 126 H CA -1.124 55.096 56.048 0.286 0.000 1.255 126 H CB 2.647 32.726 29.762 0.529 0.000 1.623 126 H HN -0.257 8.128 8.280 0.175 0.000 0.525 127 T N 5.230 119.969 114.554 0.307 0.000 2.817 127 T HA -0.052 4.368 4.350 0.116 0.000 0.295 127 T C -0.704 174.032 174.700 0.060 0.000 0.958 127 T CA 1.747 63.962 62.100 0.190 0.000 1.157 127 T CB 0.087 69.131 68.868 0.293 0.000 0.898 127 T HN 0.298 8.750 8.240 0.353 0.000 0.536 128 I N 5.704 126.133 120.570 -0.235 0.000 2.312 128 I HA 0.054 4.056 4.170 -0.281 0.000 0.290 128 I C -1.985 173.616 176.117 -0.860 0.000 1.008 128 I CA 0.064 61.112 61.300 -0.419 0.000 1.226 128 I CB 0.785 38.553 38.000 -0.387 0.000 1.371 128 I HN 0.212 8.231 8.210 -0.318 0.000 0.468 129 F N 5.824 125.545 119.950 -0.381 0.000 3.159 129 F HA 0.196 3.940 4.527 -1.304 0.000 0.394 129 F C -1.735 173.717 175.800 -0.579 0.000 1.214 129 F CA -0.412 57.163 58.000 -0.709 0.000 1.241 129 F CB 2.014 40.828 39.000 -0.311 0.000 2.238 129 F HN 0.300 8.454 8.300 -0.243 0.000 0.658 130 G N -1.006 107.507 108.800 -0.479 0.000 2.646 130 G HA2 0.437 4.636 3.960 0.168 0.000 0.291 130 G HA3 0.437 4.338 3.960 -0.169 -0.042 0.291 130 G C -2.341 172.621 174.900 0.102 0.000 1.445 130 G CA 0.242 45.304 45.100 -0.065 0.000 0.814 130 G HN -0.487 7.383 8.290 -0.701 0.000 0.495 131 R N -0.911 119.677 120.500 0.146 0.000 2.533 131 R HA 0.403 4.763 4.340 0.033 0.000 0.288 131 R C -2.058 174.240 176.300 -0.004 0.000 1.039 131 R CA -0.526 55.630 56.100 0.092 0.000 0.909 131 R CB 4.739 35.157 30.300 0.196 0.000 1.195 131 R HN 0.257 8.597 8.270 0.115 0.000 0.438 132 V N 4.457 124.335 119.914 -0.059 0.000 2.607 132 V HA 0.224 4.428 4.120 -0.046 -0.112 0.289 132 V C -1.706 174.350 176.094 -0.064 0.000 1.053 132 V CA -0.692 61.574 62.300 -0.057 0.000 0.996 132 V CB 2.260 34.056 31.823 -0.046 0.000 0.995 132 V HN -0.146 7.994 8.190 -0.083 0.000 0.476 133 C N 7.687 126.972 119.300 -0.025 0.000 2.985 133 C HA 0.255 4.697 4.460 -0.030 0.000 0.314 133 C C -1.880 173.116 174.990 0.009 0.000 1.215 133 C CA -1.991 57.024 59.018 -0.005 0.000 1.414 133 C CB 2.746 30.506 27.740 0.033 0.000 1.842 133 C HN 0.919 9.030 8.230 -0.014 0.111 0.477 134 Q N 3.509 123.317 119.800 0.012 0.000 2.437 134 Q HA -0.389 3.968 4.340 0.014 -0.009 0.274 134 Q C -1.347 174.663 176.000 0.017 0.000 1.165 134 Q CA 1.465 57.277 55.803 0.015 0.000 0.925 134 Q CB -0.624 28.124 28.738 0.017 0.000 1.327 134 Q HN 0.599 8.834 8.270 0.011 0.041 0.505 135 G N -4.959 103.849 108.800 0.012 0.000 4.802 135 G HA2 0.059 4.032 3.960 0.022 0.000 0.238 135 G HA3 0.059 4.114 3.960 0.033 -0.076 0.238 135 G C -0.664 174.241 174.900 0.009 0.000 0.974 135 G CA 0.046 45.158 45.100 0.020 0.000 0.798 135 G HN -0.254 8.008 8.290 0.002 0.029 0.301 136 I N 1.956 122.524 120.570 -0.004 0.000 2.439 136 I HA -0.024 4.140 4.170 -0.009 0.000 0.251 136 I C 0.811 176.926 176.117 -0.004 0.000 1.139 136 I CA 1.319 62.613 61.300 -0.011 0.000 1.438 136 I CB 0.106 38.089 38.000 -0.028 0.000 1.085 136 I HN -0.088 8.118 8.210 -0.006 0.000 0.427 137 G N -0.340 108.460 108.800 0.000 0.000 2.422 137 G HA2 -0.312 3.650 3.960 0.003 0.000 0.218 137 G HA3 -0.312 3.728 3.960 0.004 -0.078 0.218 137 G C 1.378 176.276 174.900 -0.002 0.000 1.146 137 G CA 2.587 47.688 45.100 0.002 0.000 0.769 137 G HN -0.427 8.034 8.290 0.001 -0.171 0.547 138 M N 1.071 120.669 119.600 -0.002 0.000 2.099 138 M HA -0.278 4.196 4.480 -0.010 0.000 0.262 138 M C 2.100 178.377 176.300 -0.038 0.000 1.067 138 M CA 1.408 56.701 55.300 -0.011 0.000 1.124 138 M CB -1.124 31.479 32.600 0.004 0.000 1.353 138 M HN -0.436 7.769 8.290 0.003 0.087 0.410 139 V N -0.734 119.159 119.914 -0.035 0.000 2.469 139 V HA -0.619 3.429 4.120 -0.120 0.000 0.251 139 V C 1.969 178.040 176.094 -0.039 0.000 1.064 139 V CA 4.134 66.400 62.300 -0.057 0.000 1.066 139 V CB -0.746 31.067 31.823 -0.017 0.000 0.667 139 V HN 0.085 8.266 8.190 -0.015 0.000 0.461 140 N N 0.056 118.746 118.700 -0.017 0.000 2.109 140 N HA -0.165 4.580 4.740 0.008 0.000 0.188 140 N C 1.544 177.048 175.510 -0.010 0.000 1.034 140 N CA 3.033 56.081 53.050 -0.002 0.000 0.846 140 N CB 0.348 38.839 38.487 0.007 0.000 1.010 140 N HN 0.022 8.256 8.380 -0.013 0.138 0.425 141 R N -1.387 119.104 120.500 -0.016 0.000 2.280 141 R HA -0.103 4.231 4.340 -0.009 0.000 0.207 141 R C 1.714 177.995 176.300 -0.031 0.000 1.043 141 R CA 2.128 58.218 56.100 -0.016 0.000 1.006 141 R CB -0.497 29.797 30.300 -0.011 0.000 0.885 141 R HN -0.055 8.206 8.270 -0.015 0.000 0.467 142 V N -2.291 117.590 119.914 -0.056 0.000 2.825 142 V HA -0.024 4.055 4.120 -0.069 0.000 0.246 142 V C 1.064 177.106 176.094 -0.088 0.000 1.068 142 V CA 1.651 63.896 62.300 -0.091 0.000 1.088 142 V CB 0.395 32.116 31.823 -0.171 0.000 0.733 142 V HN -0.072 7.939 8.190 -0.057 0.145 0.468 143 G N -0.894 107.867 108.800 -0.065 0.000 2.551 143 G HA2 0.017 3.950 3.960 -0.045 0.000 0.216 143 G HA3 0.017 4.027 3.960 -0.007 -0.054 0.216 143 G C 0.209 175.108 174.900 -0.001 0.000 1.137 143 G CA 1.743 46.826 45.100 -0.030 0.000 0.798 143 G HN -0.169 7.899 8.290 -0.058 0.187 0.536 144 M N -2.006 117.593 119.600 -0.003 0.000 2.558 144 M HA 0.054 4.546 4.480 0.020 0.000 0.255 144 M C -0.856 175.442 176.300 -0.003 0.000 1.113 144 M CA 1.350 56.654 55.300 0.007 0.000 1.097 144 M CB 0.708 33.313 32.600 0.008 0.000 1.426 144 M HN -0.546 7.706 8.290 -0.012 0.031 0.488 145 V N -5.109 114.797 119.914 -0.014 0.000 2.509 145 V HA 0.053 4.166 4.120 -0.013 0.000 0.284 145 V C -0.955 175.127 176.094 -0.022 0.000 1.047 145 V CA -0.537 61.753 62.300 -0.017 0.000 0.952 145 V CB 1.645 33.457 31.823 -0.019 0.000 0.988 145 V HN -0.984 7.142 8.190 -0.021 0.052 0.469 146 E N 2.636 122.823 120.200 -0.022 0.000 2.357 146 E HA 0.100 4.430 4.350 -0.034 0.000 0.202 146 E C -0.356 176.228 176.600 -0.027 0.000 0.855 146 E CA 0.316 56.699 56.400 -0.029 0.000 1.048 146 E CB 1.087 30.767 29.700 -0.033 0.000 1.037 146 E HN 0.428 8.777 8.360 -0.018 0.000 0.499 147 T N -3.677 110.865 114.554 -0.021 0.000 2.885 147 T HA 0.205 4.593 4.350 -0.019 -0.049 0.285 147 T C -0.610 174.082 174.700 -0.013 0.000 1.019 147 T CA -2.067 60.023 62.100 -0.018 0.000 1.010 147 T CB 2.982 71.839 68.868 -0.018 0.000 1.022 147 T HN -0.849 7.379 8.240 -0.019 0.000 0.466 148 N N 2.662 121.356 118.700 -0.010 0.000 2.402 148 N HA 0.049 4.786 4.740 -0.006 0.000 0.174 148 N C -0.278 175.229 175.510 -0.005 0.000 1.027 148 N CA 1.166 54.212 53.050 -0.006 0.000 0.891 148 N CB 1.723 40.209 38.487 -0.003 0.000 1.016 148 N HN 0.729 8.995 8.380 -0.011 0.108 0.439 149 S N -4.022 111.674 115.700 -0.007 0.000 2.655 149 S HA 0.222 4.689 4.470 -0.006 0.000 0.266 149 S C -0.796 173.800 174.600 -0.008 0.000 1.149 149 S CA -0.369 57.827 58.200 -0.006 0.000 0.818 149 S CB 0.326 63.524 63.200 -0.004 0.000 1.130 149 S HN -0.660 7.645 8.310 -0.008 0.000 0.476 150 Q N 0.793 120.588 119.800 -0.007 0.000 2.761 150 Q HA -0.306 4.029 4.340 -0.008 0.000 0.473 150 Q C -0.884 175.109 176.000 -0.011 0.000 0.472 150 Q CA 2.716 58.514 55.803 -0.009 0.000 1.027 150 Q CB -0.950 27.784 28.738 -0.008 0.000 1.593 150 Q HN 0.494 8.760 8.270 -0.006 0.000 1.128 151 D N 0.430 120.823 120.400 -0.012 0.000 2.650 151 D HA 0.112 4.742 4.640 -0.017 0.000 0.265 151 D C -1.687 174.603 176.300 -0.017 0.000 1.339 151 D CA -0.569 53.421 54.000 -0.016 0.000 0.816 151 D CB 0.634 41.425 40.800 -0.016 0.000 1.091 151 D HN 0.029 8.392 8.370 -0.011 0.000 0.483 152 R N -1.025 119.467 120.500 -0.014 0.000 2.229 152 R HA 0.565 4.896 4.340 -0.015 0.000 0.332 152 R C -2.172 174.119 176.300 -0.015 0.000 0.989 152 R CA -2.728 53.364 56.100 -0.013 0.000 0.842 152 R CB -0.148 30.146 30.300 -0.009 0.000 1.119 152 R HN 0.136 8.223 8.270 -0.012 0.176 0.456 153 P HA -0.071 4.532 4.420 -0.024 -0.197 0.268 153 P C -0.623 176.669 177.300 -0.014 0.000 1.208 153 P CA -0.470 62.617 63.100 -0.022 0.000 0.777 153 P CB 0.498 32.180 31.700 -0.030 0.000 0.875 154 V N 2.319 122.225 119.914 -0.013 0.000 2.475 154 V HA -0.326 3.792 4.120 -0.003 0.000 0.292 154 V C 0.060 176.156 176.094 0.003 0.000 1.003 154 V CA 0.771 63.068 62.300 -0.005 0.000 1.120 154 V CB -0.501 31.316 31.823 -0.009 0.000 0.937 154 V HN -0.081 7.982 8.190 -0.018 0.116 0.476 155 D N 4.778 125.184 120.400 0.009 0.000 2.583 155 D HA -0.219 4.429 4.640 0.014 0.000 0.232 155 D C 0.032 176.352 176.300 0.033 0.000 1.128 155 D CA 1.467 55.477 54.000 0.018 0.000 0.859 155 D CB 0.450 41.261 40.800 0.019 0.000 1.169 155 D HN -0.147 8.227 8.370 0.007 0.000 0.481 156 D N 1.275 121.699 120.400 0.041 0.000 2.586 156 D HA -0.321 4.363 4.640 0.073 0.000 0.234 156 D C -1.090 175.268 176.300 0.097 0.000 1.132 156 D CA 0.565 54.606 54.000 0.069 0.000 0.860 156 D CB 0.080 40.920 40.800 0.067 0.000 1.159 156 D HN 0.014 8.403 8.370 0.031 0.000 0.490 157 V N 3.503 123.508 119.914 0.151 0.000 2.407 157 V HA 0.524 4.734 4.120 0.150 0.000 0.278 157 V C -1.674 174.609 176.094 0.315 0.000 1.037 157 V CA -1.623 60.805 62.300 0.213 0.000 0.900 157 V CB 1.696 33.636 31.823 0.194 0.000 0.983 157 V HN 0.458 8.744 8.190 0.160 0.000 0.459 158 K N 7.174 127.697 120.400 0.204 0.000 2.395 158 K HA 0.730 5.071 4.320 0.036 0.000 0.245 158 K C -1.606 175.049 176.600 0.092 0.000 1.017 158 K CA -3.268 53.076 56.287 0.095 0.000 0.852 158 K CB 3.050 35.569 32.500 0.032 0.000 1.311 158 K HN -0.326 8.025 8.250 0.169 0.000 0.452 159 I N 0.526 121.092 120.570 -0.008 0.000 2.308 159 I HA -0.017 4.212 4.170 0.099 0.000 0.293 159 I C -0.022 176.109 176.117 0.023 0.000 1.078 159 I CA -0.142 61.174 61.300 0.027 0.000 1.292 159 I CB -1.300 36.696 38.000 -0.006 0.000 1.423 159 I HN 0.302 8.457 8.210 -0.091 0.000 0.493 160 I N 8.155 128.761 120.570 0.061 0.000 2.162 160 I HA -0.249 3.945 4.170 0.040 0.000 0.238 160 I C 0.512 176.658 176.117 0.049 0.000 1.076 160 I CA 1.148 62.483 61.300 0.058 0.000 1.353 160 I CB -0.205 37.845 38.000 0.083 0.000 1.063 160 I HN 0.130 8.396 8.210 0.093 0.000 0.408 161 K N -2.959 117.487 120.400 0.077 0.000 2.471 161 K HA 0.368 4.835 4.320 -0.038 -0.170 0.252 161 K C -2.435 174.144 176.600 -0.034 0.000 0.938 161 K CA -1.209 55.116 56.287 0.063 0.000 0.796 161 K CB 3.533 36.210 32.500 0.294 0.000 1.161 161 K HN -0.326 7.987 8.250 0.105 0.000 0.425 162 A N 4.496 127.108 122.820 -0.348 0.000 2.353 162 A HA 0.904 5.222 4.320 -0.343 -0.204 0.299 162 A C -2.272 174.836 177.584 -0.794 0.000 1.089 162 A CA -1.376 50.401 52.037 -0.433 0.000 0.736 162 A CB 3.033 21.874 19.000 -0.265 0.000 1.195 162 A HN 0.857 9.093 8.150 -0.508 -0.391 0.447 163 Y N 0.398 120.301 120.300 -0.662 0.000 2.504 163 Y HA 0.416 4.812 4.550 -0.257 0.000 0.344 163 Y C -2.447 173.089 175.900 -0.607 0.000 1.023 163 Y CA -2.727 55.047 58.100 -0.544 0.000 1.020 163 Y CB 3.907 42.116 38.460 -0.417 0.000 1.282 163 Y HN 0.032 7.724 8.280 -0.980 0.000 0.454 164 P HA 0.097 4.417 4.420 -0.167 0.000 0.282 164 P C -1.286 175.978 177.300 -0.060 0.000 1.274 164 P CA -0.598 62.423 63.100 -0.133 0.000 0.770 164 P CB 0.125 31.751 31.700 -0.123 0.000 0.867 165 S N 3.079 118.779 115.700 0.001 0.000 2.548 165 S HA 0.090 4.567 4.470 0.011 0.000 0.278 165 S C -1.007 173.640 174.600 0.078 0.000 1.150 165 S CA -0.057 58.211 58.200 0.113 0.000 0.907 165 S CB 3.529 66.959 63.200 0.383 0.000 1.108 165 S HN -0.174 8.124 8.310 -0.019 0.000 0.459 166 G N 1.122 109.955 108.800 0.055 0.000 2.356 166 G HA2 0.076 4.134 3.960 -0.008 0.000 0.300 166 G HA3 0.076 4.062 3.960 0.043 0.000 0.300 166 G C -0.605 174.333 174.900 0.064 0.000 1.107 166 G CA -0.606 44.516 45.100 0.037 0.000 0.960 166 G HN 0.214 8.576 8.290 0.121 0.000 0.418 167 G N 4.747 113.576 108.800 0.048 0.000 2.404 167 G HA2 0.287 4.267 3.960 0.033 0.000 0.316 167 G HA3 0.287 4.267 3.960 0.033 0.000 0.316 167 G C -0.926 173.991 174.900 0.028 0.000 1.074 167 G CA -0.607 44.514 45.100 0.036 0.000 0.989 167 G HN 0.288 9.034 8.290 0.045 -0.429 0.430 168 G N 1.774 110.589 108.800 0.024 0.000 2.456 168 G HA2 -0.019 3.951 3.960 0.017 0.000 0.213 168 G HA3 -0.019 3.949 3.960 0.014 0.000 0.213 168 G C -0.482 174.430 174.900 0.020 0.000 1.215 168 G CA -0.047 45.064 45.100 0.018 0.000 0.805 168 G HN -0.024 8.281 8.290 0.026 0.000 0.537 169 G N -1.891 106.918 108.800 0.016 0.000 2.692 169 G HA2 -0.193 3.775 3.960 0.013 0.000 0.686 169 G HA3 -0.193 3.783 3.960 0.026 0.000 0.686 169 G C -1.316 173.591 174.900 0.011 0.000 1.243 169 G CA -0.631 44.479 45.100 0.017 0.000 0.782 169 G HN -0.446 7.852 8.290 0.013 0.000 0.625 170 S N -0.087 115.619 115.700 0.010 0.000 2.533 170 S HA 0.126 4.598 4.470 0.003 0.000 0.271 170 S C 0.172 174.776 174.600 0.007 0.000 1.143 170 S CA 0.165 58.368 58.200 0.005 0.000 0.891 170 S CB 1.080 64.280 63.200 0.000 0.000 1.105 170 S HN -0.106 8.211 8.310 0.011 0.000 0.468 171 G N 2.329 111.132 108.800 0.006 0.000 3.107 171 G HA2 0.698 4.663 3.960 0.010 0.000 0.232 171 G HA3 0.698 4.664 3.960 0.011 0.000 0.232 171 G C -2.198 172.704 174.900 0.004 0.000 1.339 171 G CA -0.827 44.277 45.100 0.008 0.000 1.033 171 G HN 0.514 8.805 8.290 0.002 0.000 0.567 172 G N -3.051 105.752 108.800 0.004 0.000 2.384 172 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.300 172 G HA3 -0.105 3.856 3.960 0.001 0.000 0.300 172 G C -2.062 172.840 174.900 0.003 0.000 1.582 172 G CA 0.909 46.010 45.100 0.002 0.000 0.875 172 G HN 0.061 8.356 8.290 0.007 0.000 0.628 173 G N -1.484 107.317 108.800 0.002 0.000 4.809 173 G HA2 0.059 4.021 3.960 0.003 0.000 0.225 173 G HA3 0.059 4.022 3.960 0.004 0.000 0.225 173 G C -1.291 173.610 174.900 0.001 0.000 1.929 173 G CA 0.188 45.290 45.100 0.003 0.000 0.616 173 G HN -0.099 8.191 8.290 0.000 0.000 0.286 174 S N 1.800 117.500 115.700 0.000 0.000 2.414 174 S HA 0.204 4.674 4.470 -0.001 0.000 0.290 174 S C 0.589 175.189 174.600 -0.000 0.000 1.160 174 S CA 0.896 59.096 58.200 -0.001 0.000 1.069 174 S CB -0.218 62.981 63.200 -0.002 0.000 1.012 174 S HN 0.097 8.407 8.310 0.000 0.000 0.510 175 G N 5.818 114.618 108.800 0.000 0.000 2.307 175 G HA2 -0.148 3.812 3.960 0.000 0.000 0.210 175 G HA3 -0.148 3.812 3.960 0.000 0.000 0.210 175 G C -0.859 174.041 174.900 0.001 0.000 1.005 175 G CA -0.318 44.783 45.100 0.000 0.000 0.634 175 G HN 0.447 8.737 8.290 -0.000 0.000 0.496 176 G N 0.515 109.317 108.800 0.002 0.000 4.002 176 G HA2 -0.014 3.948 3.960 0.003 0.000 0.280 176 G HA3 -0.014 3.948 3.960 0.003 0.000 0.280 176 G C -0.132 174.771 174.900 0.004 0.000 3.418 176 G CA 0.053 45.155 45.100 0.003 0.000 0.589 176 G HN -0.570 7.542 8.290 0.002 0.178 0.283 177 G N 2.481 111.284 108.800 0.005 0.000 3.581 177 G HA2 0.207 4.171 3.960 0.007 0.000 0.255 177 G HA3 0.207 4.170 3.960 0.006 0.000 0.255 177 G C -0.149 174.756 174.900 0.009 0.000 1.121 177 G CA -0.989 44.115 45.100 0.006 0.000 1.739 177 G HN 0.279 8.571 8.290 0.004 0.000 0.646 178 S N 1.677 117.382 115.700 0.009 0.000 2.399 178 S HA -0.206 4.270 4.470 0.010 0.000 0.231 178 S C 1.150 175.758 174.600 0.013 0.000 1.022 178 S CA 1.693 59.899 58.200 0.010 0.000 0.983 178 S CB 0.162 63.367 63.200 0.009 0.000 0.803 178 S HN -0.458 7.772 8.310 0.008 0.084 0.480 179 G N 1.115 109.923 108.800 0.014 0.000 2.629 179 G HA2 0.006 3.977 3.960 0.018 0.000 0.213 179 G HA3 0.006 3.976 3.960 0.017 0.000 0.213 179 G C -0.703 174.210 174.900 0.022 0.000 1.425 179 G CA -0.102 45.009 45.100 0.018 0.000 0.929 179 G HN -0.035 8.243 8.290 0.012 0.019 0.527 180 G N -0.611 108.203 108.800 0.022 0.000 3.055 180 G HA2 -0.221 3.752 3.960 0.023 0.000 0.686 180 G HA3 -0.221 3.756 3.960 0.029 0.000 0.686 180 G C -0.395 174.528 174.900 0.038 0.000 1.087 180 G CA -1.088 44.029 45.100 0.028 0.000 0.779 180 G HN -0.049 8.253 8.290 0.019 0.000 0.599 181 G N 1.542 110.367 108.800 0.042 0.000 2.742 181 G HA2 -0.268 3.733 3.960 0.068 0.000 0.257 181 G HA3 -0.268 3.730 3.960 0.063 0.000 0.257 181 G C -0.171 174.754 174.900 0.042 0.000 1.143 181 G CA -0.607 44.526 45.100 0.055 0.000 1.064 181 G HN -0.099 8.213 8.290 0.036 0.000 0.529 182 S N 1.703 117.423 115.700 0.034 0.000 2.437 182 S HA 0.000 4.483 4.470 0.022 0.000 0.304 182 S C 0.250 174.866 174.600 0.026 0.000 1.167 182 S CA 0.990 59.205 58.200 0.025 0.000 1.106 182 S CB -0.048 63.163 63.200 0.018 0.000 1.099 182 S HN 0.085 8.415 8.310 0.033 0.000 0.524 183 G N 7.065 115.880 108.800 0.024 0.000 2.297 183 G HA2 -0.146 3.823 3.960 0.016 0.000 0.209 183 G HA3 -0.146 3.828 3.960 0.023 0.000 0.209 183 G C -2.316 172.598 174.900 0.023 0.000 1.267 183 G CA -0.648 44.465 45.100 0.021 0.000 1.127 183 G HN -0.172 8.132 8.290 0.023 0.000 0.498 184 D N 1.790 122.202 120.400 0.021 0.000 2.450 184 D HA 0.188 4.836 4.640 0.013 0.000 0.238 184 D C -0.838 175.468 176.300 0.010 0.000 1.020 184 D CA -0.593 53.415 54.000 0.013 0.000 1.010 184 D CB 2.288 43.092 40.800 0.008 0.000 1.342 184 D HN -0.136 8.246 8.370 0.021 0.000 0.530 185 G N -2.239 106.549 108.800 -0.019 0.000 2.386 185 G HA2 -0.058 3.915 3.960 -0.061 0.000 0.302 185 G HA3 -0.058 3.873 3.960 -0.048 0.000 0.302 185 G C -1.946 172.862 174.900 -0.153 0.000 1.629 185 G CA -0.089 44.970 45.100 -0.069 0.000 0.917 185 G HN -0.175 8.103 8.290 -0.020 0.000 0.676 186 G N -0.955 107.704 108.800 -0.235 0.000 2.508 186 G HA2 0.451 4.312 3.960 -0.164 0.000 0.278 186 G HA3 0.451 4.278 3.960 -0.221 0.000 0.278 186 G C -0.772 173.834 174.900 -0.490 0.000 1.389 186 G CA -1.177 43.765 45.100 -0.263 0.000 1.050 186 G HN 0.058 8.102 8.290 -0.219 0.114 0.522 187 A N -0.816 121.775 122.820 -0.383 0.000 2.296 187 A HA -0.033 4.043 4.320 -0.407 0.000 0.264 187 A C -1.636 175.623 177.584 -0.541 0.000 1.097 187 A CA -0.193 51.600 52.037 -0.406 0.000 0.811 187 A CB 1.774 20.633 19.000 -0.236 0.000 1.072 187 A HN -0.095 7.903 8.150 -0.255 0.000 0.495 188 F N -2.497 117.436 119.950 -0.028 0.000 2.325 188 F HA 0.395 4.931 4.527 0.015 0.000 0.369 188 F C -1.424 174.369 175.800 -0.011 0.000 1.095 188 F CA -2.991 55.004 58.000 -0.008 0.000 1.082 188 F CB 0.767 39.758 39.000 -0.016 0.000 1.289 188 F HN -0.083 8.574 8.300 0.018 -0.346 0.462 189 P HA 0.001 4.494 4.420 0.034 -0.052 0.236 189 P C 0.895 178.278 177.300 0.139 0.000 1.177 189 P CA 0.972 64.121 63.100 0.082 0.000 0.773 189 P CB 0.593 32.297 31.700 0.007 0.000 0.878 190 E N -2.475 117.826 120.200 0.168 0.000 2.371 190 E HA -0.133 4.251 4.350 0.057 0.000 0.194 190 E C 0.812 177.308 176.600 -0.173 0.000 1.012 190 E CA 1.693 58.118 56.400 0.040 0.000 0.860 190 E CB -0.354 29.360 29.700 0.022 0.000 0.811 190 E HN 0.324 8.755 8.360 0.235 0.070 0.502 191 I N -7.246 113.291 120.570 -0.055 0.000 3.419 191 I HA -0.055 4.022 4.170 -0.154 0.000 0.286 191 I C 0.009 176.126 176.117 0.000 0.000 1.268 191 I CA 0.532 61.784 61.300 -0.081 0.000 1.414 191 I CB 0.460 38.440 38.000 -0.033 0.000 1.074 191 I HN -0.719 7.486 8.210 0.060 0.041 0.457 192 H N -4.291 114.765 119.070 -0.022 0.000 2.936 192 H HA -0.379 4.123 4.556 -0.090 0.000 0.276 192 H C -1.906 173.392 175.328 -0.050 0.000 1.216 192 H CA 0.434 56.447 56.048 -0.058 0.000 1.132 192 H CB -2.505 27.222 29.762 -0.058 0.000 1.303 192 H HN -0.426 7.880 8.280 0.109 0.039 0.370 193 V N -1.774 118.188 119.914 0.080 0.000 2.876 193 V HA 0.112 4.249 4.120 0.030 0.000 0.312 193 V C -2.151 173.955 176.094 0.021 0.000 1.085 193 V CA -2.472 59.853 62.300 0.041 0.000 0.945 193 V CB 2.975 34.823 31.823 0.042 0.000 1.017 193 V HN -0.521 7.693 8.190 0.083 0.025 0.428 194 A N 6.148 128.978 122.820 0.016 0.000 2.404 194 A HA -0.015 4.274 4.320 -0.052 0.000 0.273 194 A C -1.181 176.421 177.584 0.030 0.000 1.144 194 A CA 0.317 52.357 52.037 0.004 0.000 0.806 194 A CB -0.214 18.815 19.000 0.049 0.000 1.080 194 A HN 0.025 8.190 8.150 0.024 0.000 0.509 195 Q N 3.522 123.296 119.800 -0.044 0.000 2.527 195 Q HA 0.069 4.512 4.340 0.172 0.000 0.280 195 Q C -2.703 173.230 176.000 -0.113 0.000 0.977 195 Q CA -0.423 55.405 55.803 0.042 0.000 0.837 195 Q CB 2.237 31.025 28.738 0.084 0.000 1.454 195 Q HN -0.012 8.154 8.270 -0.173 0.000 0.387 196 Y N 0.887 121.201 120.300 0.024 0.000 2.468 196 Y HA 0.347 4.894 4.550 -0.005 0.000 0.342 196 Y C -0.788 175.109 175.900 -0.005 0.000 1.021 196 Y CA -2.635 55.467 58.100 0.004 0.000 1.079 196 Y CB 1.273 39.737 38.460 0.006 0.000 1.226 196 Y HN 0.301 8.774 8.280 0.321 0.000 0.460 197 P HA -0.101 4.316 4.420 -0.004 0.000 0.213 197 P C -0.741 176.596 177.300 0.062 0.000 1.170 197 P CA 1.335 64.453 63.100 0.029 0.000 0.889 197 P CB 0.822 32.509 31.700 -0.022 0.000 0.782 198 L N -9.632 111.638 121.223 0.078 0.000 3.320 198 L HA 0.366 4.736 4.340 0.051 0.000 0.331 198 L C -1.398 175.501 176.870 0.049 0.000 1.306 198 L CA -0.342 54.531 54.840 0.055 0.000 0.892 198 L CB 0.483 42.562 42.059 0.033 0.000 1.337 198 L HN -0.696 7.594 8.230 0.099 0.000 0.604 199 D N -3.415 117.024 120.400 0.066 0.000 2.495 199 D HA -0.302 4.269 4.640 -0.116 0.000 0.175 199 D C 1.235 177.516 176.300 -0.031 0.000 1.040 199 D CA 2.089 56.071 54.000 -0.030 0.000 1.049 199 D CB -0.639 40.137 40.800 -0.041 0.000 1.105 199 D HN 0.056 8.507 8.370 0.135 0.000 0.457 200 M N -2.766 116.858 119.600 0.041 0.000 2.358 200 M HA -0.172 4.318 4.480 0.016 0.000 0.264 200 M C 0.043 176.384 176.300 0.068 0.000 1.064 200 M CA 2.662 57.987 55.300 0.043 0.000 1.093 200 M CB -0.463 32.169 32.600 0.053 0.000 1.401 200 M HN -0.105 8.117 8.290 0.063 0.106 0.440 201 G N -3.649 105.240 108.800 0.149 0.000 2.838 201 G HA2 -0.032 4.089 3.960 0.163 0.000 0.210 201 G HA3 -0.032 4.187 3.960 0.431 0.000 0.210 201 G C -0.264 174.682 174.900 0.078 0.000 1.153 201 G CA 0.168 45.407 45.100 0.233 0.000 0.778 201 G HN 0.129 8.513 8.290 0.218 0.037 0.539 202 R N -2.232 118.079 120.500 -0.316 0.000 2.316 202 R HA 0.034 4.169 4.340 -0.341 0.000 0.201 202 R C 0.272 176.432 176.300 -0.233 0.000 0.888 202 R CA -0.142 55.655 56.100 -0.505 0.000 1.041 202 R CB 1.363 30.992 30.300 -1.118 0.000 1.115 202 R HN -0.189 7.744 8.270 -0.275 0.173 0.559 203 K N 0.000 120.306 120.400 -0.157 0.000 2.780 203 K HA 0.000 4.270 4.320 -0.084 0.000 0.191 203 K CA 0.000 56.237 56.287 -0.083 0.000 0.838 203 K CB 0.000 32.459 32.500 -0.068 0.000 1.064 203 K HN 0.000 8.052 8.250 -0.161 0.102 0.543