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 2prf_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWQTYVDTNL VGTGAVTQAA ILGLDGNTWA TSAGFAVTPA QGQTLASAFN DATA SEQUENCE NADPIRASGF DLAGVHYVTL RADDRSIYGK KGSAGVITVK TSKSILVGVY DATA SEQUENCE NEKIQPGTAA NVVEKLADYL IGQGF 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 S HA 0.000 4.297 4.470 -0.288 0.000 0.327 1 S C 0.000 174.478 174.600 -0.203 0.000 1.055 1 S CA 0.000 58.135 58.200 -0.109 0.000 1.107 1 S CB 0.000 63.294 63.200 0.157 0.000 0.593 2 W N 2.096 123.290 121.300 -0.177 0.000 3.077 2 W HA -0.102 4.592 4.660 0.056 0.000 0.245 2 W C 0.400 176.859 176.519 -0.100 0.000 1.316 2 W CA 1.548 58.864 57.345 -0.049 0.000 1.537 2 W CB 0.300 29.798 29.460 0.063 0.000 1.131 2 W HN 0.192 8.802 8.180 0.716 0.000 0.695 3 Q N 0.346 120.151 119.800 0.008 0.000 1.956 3 Q HA -0.349 4.051 4.340 0.099 0.000 0.208 3 Q C 2.482 178.447 176.000 -0.058 0.000 0.998 3 Q CA 3.842 59.644 55.803 -0.001 0.000 0.855 3 Q CB -0.869 27.839 28.738 -0.050 0.000 0.928 3 Q HN 0.011 8.172 8.270 -0.038 0.087 0.418 4 T N 0.949 115.367 114.554 -0.226 0.000 2.867 4 T HA -0.232 4.097 4.350 -0.034 0.000 0.268 4 T C 1.318 176.043 174.700 0.041 0.000 1.057 4 T CA 3.173 65.193 62.100 -0.133 0.000 1.136 4 T CB -0.526 68.219 68.868 -0.204 0.000 0.874 4 T HN 0.181 8.204 8.240 -0.361 0.000 0.466 5 Y N -3.210 117.060 120.300 -0.051 0.000 2.529 5 Y HA 0.005 4.506 4.550 -0.083 0.000 0.290 5 Y C 0.277 176.183 175.900 0.008 0.000 1.177 5 Y CA -1.379 56.664 58.100 -0.096 0.000 1.305 5 Y CB -1.227 37.047 38.460 -0.311 0.000 1.047 5 Y HN -0.670 7.188 8.280 -0.556 0.088 0.522 6 V N -0.330 119.701 119.914 0.196 0.000 2.446 6 V HA -0.287 3.990 4.120 0.262 0.000 0.244 6 V C 0.815 176.999 176.094 0.151 0.000 1.039 6 V CA 2.917 65.342 62.300 0.210 0.000 1.045 6 V CB 0.586 32.533 31.823 0.207 0.000 0.681 6 V HN -0.493 7.562 8.190 0.128 0.212 0.459 7 D N -2.039 118.431 120.400 0.117 0.000 3.060 7 D HA 0.045 4.739 4.640 0.090 0.000 0.245 7 D C -0.647 175.703 176.300 0.084 0.000 1.274 7 D CA 0.681 54.735 54.000 0.090 0.000 0.864 7 D CB -1.142 39.700 40.800 0.070 0.000 1.073 7 D HN -0.462 7.973 8.370 0.110 0.000 0.473 8 T N -1.040 113.569 114.554 0.091 0.000 3.394 8 T HA 0.006 4.389 4.350 0.056 0.000 0.084 8 T C -0.763 173.972 174.700 0.057 0.000 0.601 8 T CA 0.605 62.745 62.100 0.068 0.000 0.581 8 T CB 0.343 69.252 68.868 0.069 0.000 0.981 8 T HN -0.545 7.678 8.240 0.108 0.082 0.209 9 N N 1.784 120.509 118.700 0.042 0.000 2.523 9 N HA 0.079 4.836 4.740 0.029 0.000 0.209 9 N C 2.256 177.793 175.510 0.046 0.000 1.039 9 N CA 0.887 53.950 53.050 0.022 0.000 1.002 9 N CB 0.086 38.557 38.487 -0.028 0.000 1.270 9 N HN 0.151 8.555 8.380 0.041 0.000 0.481 10 L N 1.067 122.305 121.223 0.026 0.000 2.195 10 L HA -0.419 3.946 4.340 0.041 0.000 0.225 10 L C 1.744 178.719 176.870 0.176 0.000 1.096 10 L CA 2.750 57.638 54.840 0.080 0.000 0.814 10 L CB 0.144 42.244 42.059 0.068 0.000 0.901 10 L HN 0.111 8.325 8.230 -0.027 0.000 0.446 11 V N -3.876 116.146 119.914 0.180 0.000 2.403 11 V HA -0.214 4.041 4.120 0.225 0.000 0.239 11 V C 1.866 178.044 176.094 0.140 0.000 1.041 11 V CA 3.471 65.886 62.300 0.191 0.000 1.051 11 V CB -0.159 31.782 31.823 0.196 0.000 0.704 11 V HN -0.801 7.465 8.190 0.159 0.019 0.472 12 G N -3.864 105.002 108.800 0.110 0.000 2.556 12 G HA2 -0.303 3.710 3.960 0.090 0.000 0.220 12 G HA3 -0.303 3.699 3.960 0.070 0.000 0.220 12 G C 0.185 175.133 174.900 0.082 0.000 1.156 12 G CA 2.585 47.737 45.100 0.086 0.000 0.766 12 G HN 0.052 8.406 8.290 0.108 0.000 0.583 13 T N -1.975 112.623 114.554 0.073 0.000 5.407 13 T HA -0.027 4.501 4.350 0.079 -0.131 0.224 13 T C -0.516 174.205 174.700 0.035 0.000 0.867 13 T CA -0.035 62.102 62.100 0.062 0.000 0.420 13 T CB -1.444 67.456 68.868 0.053 0.000 0.478 13 T HN -0.350 7.933 8.240 0.071 -0.000 0.203 14 G N 0.317 109.138 108.800 0.034 0.000 3.327 14 G HA2 0.025 4.026 3.960 -0.015 0.000 0.240 14 G HA3 0.025 3.987 3.960 -0.020 -0.014 0.240 14 G C -1.285 173.609 174.900 -0.011 0.000 1.222 14 G CA -0.468 44.629 45.100 -0.004 0.000 0.871 14 G HN -0.037 8.131 8.290 0.058 0.157 0.525 15 A N -2.210 120.611 122.820 0.002 0.000 2.541 15 A HA -0.015 4.268 4.320 -0.062 0.000 0.218 15 A C -2.106 175.446 177.584 -0.054 0.000 2.767 15 A CA -0.069 51.947 52.037 -0.035 0.000 1.578 15 A CB 0.270 19.262 19.000 -0.013 0.000 0.294 15 A HN 0.039 8.066 8.150 0.021 0.135 0.531 16 V N -2.377 117.560 119.914 0.039 0.000 2.709 16 V HA 0.363 4.529 4.120 0.076 0.000 0.308 16 V C 0.438 176.621 176.094 0.148 0.000 1.062 16 V CA -2.466 59.895 62.300 0.102 0.000 0.901 16 V CB 2.362 34.284 31.823 0.165 0.000 1.003 16 V HN -0.824 7.411 8.190 0.076 0.000 0.425 17 T N -0.778 113.881 114.554 0.174 0.000 3.160 17 T HA -0.093 4.516 4.350 0.116 -0.189 0.257 17 T C -0.010 174.781 174.700 0.152 0.000 1.147 17 T CA 0.575 62.759 62.100 0.139 0.000 1.064 17 T CB 0.125 69.067 68.868 0.124 0.000 0.949 17 T HN 0.466 8.844 8.240 0.230 0.000 0.526 18 Q N -4.387 115.523 119.800 0.184 0.000 2.527 18 Q HA 0.176 4.639 4.340 0.204 0.000 0.280 18 Q C -2.394 173.745 176.000 0.232 0.000 0.977 18 Q CA -0.836 55.089 55.803 0.204 0.000 0.837 18 Q CB 4.674 33.521 28.738 0.183 0.000 1.454 18 Q HN -0.971 7.319 8.270 0.205 0.102 0.387 19 A N -0.474 122.509 122.820 0.271 0.000 2.594 19 A HA 0.856 5.628 4.320 0.227 -0.316 0.296 19 A C -2.876 174.878 177.584 0.283 0.000 1.061 19 A CA -0.400 51.794 52.037 0.262 0.000 0.689 19 A CB 4.214 23.389 19.000 0.292 0.000 1.280 19 A HN 0.437 8.758 8.150 0.286 0.000 0.406 20 A N -0.353 122.617 122.820 0.251 0.000 2.539 20 A HA 0.506 4.950 4.320 0.206 0.000 0.296 20 A C -2.734 174.956 177.584 0.176 0.000 1.073 20 A CA -1.254 50.921 52.037 0.230 0.000 0.700 20 A CB 3.579 22.758 19.000 0.297 0.000 1.296 20 A HN 0.195 8.352 8.150 0.194 0.110 0.405 21 I N 0.453 121.147 120.570 0.206 0.000 2.437 21 I HA 0.277 4.579 4.170 0.221 0.000 0.279 21 I C -1.304 175.049 176.117 0.394 0.000 1.028 21 I CA -0.672 60.814 61.300 0.311 0.000 1.142 21 I CB -0.014 38.216 38.000 0.385 0.000 1.266 21 I HN 0.077 8.401 8.210 0.190 0.000 0.461 22 L N 1.734 123.147 121.223 0.317 0.000 2.359 22 L HA 0.576 4.704 4.340 -0.353 0.000 0.256 22 L C -1.230 175.777 176.870 0.228 0.000 1.026 22 L CA -1.714 53.147 54.840 0.036 0.000 0.828 22 L CB 2.557 44.599 42.059 -0.027 0.000 1.406 22 L HN -0.500 7.899 8.230 0.282 0.000 0.413 23 G N -1.758 107.026 108.800 -0.027 0.000 2.347 23 G HA2 -0.183 3.844 3.960 0.113 0.000 0.477 23 G HA3 -0.183 4.010 3.960 0.389 0.000 0.477 23 G C -1.841 173.232 174.900 0.288 0.000 1.349 23 G CA -0.555 44.679 45.100 0.222 0.000 1.000 23 G HN -0.154 7.934 8.290 -0.336 0.000 0.605 24 L N -2.716 118.673 121.223 0.277 0.000 2.149 24 L HA -0.212 4.245 4.340 0.195 0.000 0.464 24 L C -0.330 176.608 176.870 0.113 0.000 1.003 24 L CA 0.520 55.515 54.840 0.258 0.000 1.247 24 L CB 0.427 42.783 42.059 0.496 0.000 1.117 24 L HN 0.277 8.645 8.230 0.230 0.000 0.567 25 D N 5.281 125.726 120.400 0.075 0.000 2.652 25 D HA -0.026 4.600 4.640 -0.023 0.000 0.247 25 D C 0.265 176.577 176.300 0.020 0.000 1.232 25 D CA 1.395 55.405 54.000 0.017 0.000 0.863 25 D CB -1.563 39.249 40.800 0.020 0.000 1.023 25 D HN 0.240 8.665 8.370 0.092 0.000 0.474 26 G N -1.011 107.815 108.800 0.043 0.000 2.724 26 G HA2 0.005 3.989 3.960 0.041 0.000 0.205 26 G HA3 0.005 4.036 3.960 0.118 0.000 0.205 26 G C -0.366 174.524 174.900 -0.017 0.000 1.112 26 G CA 0.129 45.261 45.100 0.053 0.000 0.793 26 G HN -0.095 8.120 8.290 0.066 0.115 0.526 27 N N -3.590 115.032 118.700 -0.131 0.000 3.544 27 N HA -0.015 4.593 4.740 -0.220 0.000 0.268 27 N C -2.640 172.456 175.510 -0.689 0.000 1.291 27 N CA -0.060 52.829 53.050 -0.268 0.000 0.751 27 N CB 0.946 39.347 38.487 -0.142 0.000 1.622 27 N HN -0.766 7.525 8.380 -0.148 0.000 0.361 28 T N -0.859 113.295 114.554 -0.667 0.000 2.888 28 T HA 0.177 3.708 4.350 -1.365 0.000 0.283 28 T C -1.136 172.960 174.700 -1.007 0.000 1.013 28 T CA -0.421 61.112 62.100 -0.944 0.000 0.938 28 T CB 0.739 69.349 68.868 -0.430 0.000 1.298 28 T HN 0.120 8.119 8.240 -0.401 0.000 0.580 29 W N -1.349 119.951 121.300 -0.000 0.000 5.070 29 W HA 0.240 4.900 4.660 -0.001 0.000 0.176 29 W C -1.245 175.279 176.519 0.008 0.000 1.077 29 W CA 0.213 57.559 57.345 0.002 0.000 1.880 29 W CB 1.342 30.803 29.460 0.002 0.000 0.615 29 W HN 0.264 8.292 8.180 -0.252 0.000 1.044 30 A N -1.628 121.344 122.820 0.254 0.000 2.572 30 A HA 0.228 4.607 4.320 0.098 0.000 0.303 30 A C -2.816 174.854 177.584 0.144 0.000 1.059 30 A CA 0.672 52.803 52.037 0.156 0.000 0.788 30 A CB 1.568 20.665 19.000 0.162 0.000 1.282 30 A HN -0.638 7.696 8.150 0.307 0.000 0.397 31 T N 0.829 115.436 114.554 0.088 0.000 2.896 31 T HA 0.202 4.633 4.350 0.137 0.000 0.297 31 T C -1.415 173.334 174.700 0.081 0.000 1.108 31 T CA -1.777 60.373 62.100 0.084 0.000 1.004 31 T CB 1.686 70.554 68.868 -0.001 0.000 1.159 31 T HN -0.027 8.250 8.240 0.061 0.000 0.499 32 S N 4.085 119.856 115.700 0.119 0.000 2.536 32 S HA 0.278 4.794 4.470 0.077 0.000 0.246 32 S C -2.407 172.300 174.600 0.178 0.000 1.077 32 S CA 0.674 58.946 58.200 0.120 0.000 1.091 32 S CB 1.805 65.084 63.200 0.132 0.000 1.148 32 S HN 0.251 8.659 8.310 0.164 0.000 0.447 33 A N 3.603 126.520 122.820 0.162 0.000 2.809 33 A HA 0.277 4.741 4.320 0.240 0.000 0.310 33 A C -1.530 176.185 177.584 0.218 0.000 1.138 33 A CA 0.425 52.630 52.037 0.279 0.000 0.610 33 A CB 1.155 20.534 19.000 0.632 0.000 1.432 33 A HN -0.098 8.101 8.150 0.082 0.000 0.597 34 G N -0.416 108.575 108.800 0.318 0.000 4.222 34 G HA2 0.162 4.195 3.960 0.122 0.000 0.301 34 G HA3 0.162 4.225 3.960 0.172 0.000 0.301 34 G C -1.347 173.722 174.900 0.281 0.000 1.171 34 G CA 0.003 45.227 45.100 0.207 0.000 0.937 34 G HN 0.396 8.948 8.290 0.436 0.000 0.557 35 F N -2.586 117.389 119.950 0.042 0.000 2.585 35 F HA 0.254 4.800 4.527 0.031 0.000 0.319 35 F C -1.946 173.876 175.800 0.036 0.000 1.165 35 F CA -2.941 55.083 58.000 0.039 0.000 0.949 35 F CB 0.960 39.990 39.000 0.049 0.000 1.218 35 F HN -0.859 7.506 8.300 0.219 0.067 0.453 36 A N 5.327 128.046 122.820 -0.167 0.000 2.269 36 A HA 0.182 4.256 4.320 -0.411 0.000 0.302 36 A C -0.930 176.575 177.584 -0.131 0.000 1.266 36 A CA -0.970 50.921 52.037 -0.243 0.000 0.894 36 A CB 0.476 19.409 19.000 -0.113 0.000 1.147 36 A HN 0.124 8.275 8.150 0.002 0.000 0.537 37 V N 4.251 124.053 119.914 -0.186 0.000 2.649 37 V HA 0.006 4.191 4.120 0.109 0.000 0.292 37 V C 0.292 176.376 176.094 -0.016 0.000 1.055 37 V CA -0.780 61.523 62.300 0.004 0.000 1.023 37 V CB 1.082 32.936 31.823 0.052 0.000 0.992 37 V HN 0.151 8.124 8.190 -0.361 0.000 0.480 38 T N 3.021 117.585 114.554 0.016 0.000 2.788 38 T HA -0.071 4.272 4.350 -0.012 0.000 0.333 38 T C -0.785 173.900 174.700 -0.025 0.000 1.090 38 T CA -1.458 60.640 62.100 -0.004 0.000 1.094 38 T CB -0.413 68.459 68.868 0.008 0.000 0.999 38 T HN -0.086 8.184 8.240 0.051 0.000 0.549 39 P HA -0.160 4.225 4.420 -0.057 0.000 0.223 39 P C -0.356 176.916 177.300 -0.045 0.000 1.144 39 P CA 1.243 64.316 63.100 -0.045 0.000 0.783 39 P CB -0.034 31.643 31.700 -0.040 0.000 0.771 40 A N -1.822 120.978 122.820 -0.033 0.000 3.117 40 A HA 0.188 4.483 4.320 -0.042 0.000 0.255 40 A C 0.031 177.592 177.584 -0.037 0.000 1.583 40 A CA -0.441 51.575 52.037 -0.035 0.000 1.234 40 A CB -1.831 17.153 19.000 -0.025 0.000 1.076 40 A HN 0.254 8.336 8.150 -0.024 0.054 0.653 41 Q N 0.696 120.469 119.800 -0.046 0.000 2.008 41 Q HA -0.259 4.069 4.340 -0.019 0.000 0.196 41 Q C 1.940 177.903 176.000 -0.061 0.000 0.973 41 Q CA 2.858 58.636 55.803 -0.042 0.000 0.826 41 Q CB 0.204 28.913 28.738 -0.048 0.000 0.894 41 Q HN -0.434 7.714 8.270 -0.057 0.088 0.439 42 G N -2.801 105.952 108.800 -0.079 0.000 2.534 42 G HA2 -0.265 3.665 3.960 -0.049 0.000 0.217 42 G HA3 -0.265 3.641 3.960 -0.089 0.000 0.217 42 G C 0.623 175.492 174.900 -0.052 0.000 1.128 42 G CA 0.723 45.782 45.100 -0.069 0.000 0.784 42 G HN 0.412 8.646 8.290 -0.094 0.000 0.542 43 Q N -1.862 117.904 119.800 -0.057 0.000 2.398 43 Q HA -0.071 4.246 4.340 -0.039 0.000 0.204 43 Q C 0.915 176.872 176.000 -0.071 0.000 0.932 43 Q CA 2.162 57.934 55.803 -0.050 0.000 0.916 43 Q CB -0.033 28.681 28.738 -0.041 0.000 1.024 43 Q HN 0.265 8.455 8.270 -0.060 0.044 0.504 44 T N 2.755 117.255 114.554 -0.090 0.000 3.035 44 T HA -0.118 4.167 4.350 -0.109 0.000 0.259 44 T C 1.452 176.001 174.700 -0.251 0.000 1.078 44 T CA 3.145 65.168 62.100 -0.127 0.000 1.132 44 T CB -0.240 68.576 68.868 -0.086 0.000 0.900 44 T HN -0.702 7.340 8.240 -0.078 0.151 0.480 45 L N 0.753 121.825 121.223 -0.251 0.000 2.102 45 L HA -0.135 3.760 4.340 -0.742 0.000 0.202 45 L C 1.010 177.636 176.870 -0.407 0.000 1.076 45 L CA 2.798 57.373 54.840 -0.441 0.000 0.761 45 L CB -0.362 41.590 42.059 -0.178 0.000 0.921 45 L HN -0.514 7.623 8.230 -0.155 0.000 0.444 46 A N -3.103 119.658 122.820 -0.099 0.000 1.933 46 A HA -0.325 4.125 4.320 0.217 0.000 0.218 46 A C 0.977 178.551 177.584 -0.017 0.000 1.175 46 A CA 2.631 54.695 52.037 0.045 0.000 0.628 46 A CB -0.522 18.509 19.000 0.050 0.000 0.814 46 A HN -0.616 7.490 8.150 -0.073 0.000 0.444 47 S N -2.374 113.270 115.700 -0.093 0.000 2.395 47 S HA -0.206 4.249 4.470 -0.026 0.000 0.225 47 S C 1.115 175.635 174.600 -0.134 0.000 1.027 47 S CA 2.067 60.221 58.200 -0.076 0.000 0.965 47 S CB 0.650 63.809 63.200 -0.067 0.000 0.812 47 S HN -0.651 7.581 8.310 -0.114 0.009 0.482 48 A N 0.011 122.653 122.820 -0.297 0.000 2.024 48 A HA -0.173 4.023 4.320 -0.206 0.000 0.220 48 A C 1.355 178.751 177.584 -0.314 0.000 1.164 48 A CA 1.998 53.807 52.037 -0.379 0.000 0.643 48 A CB 0.055 18.656 19.000 -0.664 0.000 0.806 48 A HN -0.572 7.266 8.150 -0.342 0.107 0.451 49 F N -3.754 116.162 119.950 -0.055 0.000 2.669 49 F HA 0.077 4.576 4.527 -0.045 0.000 0.353 49 F C -0.480 175.306 175.800 -0.024 0.000 1.192 49 F CA -0.752 57.221 58.000 -0.044 0.000 1.317 49 F CB -2.938 36.031 39.000 -0.051 0.000 1.652 49 F HN -0.617 7.414 8.300 -0.406 0.025 0.608 50 N N 1.429 120.204 118.700 0.125 0.000 2.523 50 N HA -0.057 4.730 4.740 0.079 0.000 0.209 50 N C 0.326 175.880 175.510 0.073 0.000 1.039 50 N CA 0.871 53.968 53.050 0.078 0.000 1.002 50 N CB 1.889 40.400 38.487 0.040 0.000 1.270 50 N HN -0.249 8.126 8.380 0.091 0.059 0.481 51 N N -1.321 117.418 118.700 0.065 0.000 2.466 51 N HA 0.017 4.788 4.740 0.052 0.000 0.272 51 N C -1.306 174.241 175.510 0.062 0.000 1.455 51 N CA 0.122 53.204 53.050 0.055 0.000 0.875 51 N CB 1.101 39.611 38.487 0.039 0.000 1.372 51 N HN -0.034 8.383 8.380 0.062 0.000 0.492 52 A N -1.237 121.635 122.820 0.087 0.000 2.765 52 A HA -0.408 3.984 4.320 0.121 0.000 0.286 52 A C -1.189 176.440 177.584 0.074 0.000 1.457 52 A CA 1.670 53.762 52.037 0.093 0.000 0.899 52 A CB -1.327 17.719 19.000 0.077 0.000 0.983 52 A HN 0.383 8.599 8.150 0.110 0.000 0.584 53 D N -2.948 117.489 120.400 0.062 0.000 2.214 53 D HA 0.042 4.711 4.640 0.050 0.000 0.217 53 D C -0.057 176.277 176.300 0.056 0.000 0.973 53 D CA 3.090 57.121 54.000 0.051 0.000 0.880 53 D CB -0.825 39.998 40.800 0.039 0.000 1.031 53 D HN 0.241 8.593 8.370 0.060 0.053 0.468 54 P HA -0.083 4.367 4.420 0.051 0.000 0.216 54 P C 0.987 178.344 177.300 0.096 0.000 1.153 54 P CA 2.477 65.611 63.100 0.058 0.000 0.844 54 P CB 0.029 31.752 31.700 0.038 0.000 0.787 55 I N -6.395 114.240 120.570 0.109 0.000 2.406 55 I HA -0.307 4.032 4.170 0.283 0.000 0.249 55 I C 1.681 177.905 176.117 0.179 0.000 1.122 55 I CA 2.689 64.106 61.300 0.194 0.000 1.431 55 I CB -0.574 37.526 38.000 0.165 0.000 1.087 55 I HN -0.224 8.035 8.210 0.082 0.000 0.424 56 R N 2.750 123.325 120.500 0.126 0.000 2.070 56 R HA -0.150 4.419 4.340 0.115 -0.161 0.227 56 R C 0.359 176.709 176.300 0.083 0.000 1.147 56 R CA 2.153 58.315 56.100 0.102 0.000 0.924 56 R CB 0.203 30.551 30.300 0.079 0.000 0.827 56 R HN -0.786 7.549 8.270 0.109 0.000 0.431 57 A N -2.288 120.572 122.820 0.067 0.000 2.409 57 A HA 0.085 4.432 4.320 0.045 0.000 0.267 57 A C -0.086 177.528 177.584 0.050 0.000 1.127 57 A CA 0.440 52.507 52.037 0.050 0.000 0.795 57 A CB -0.264 18.759 19.000 0.039 0.000 1.061 57 A HN -0.288 7.901 8.150 0.065 0.000 0.502 58 S N 2.291 118.015 115.700 0.040 0.000 1.620 58 S HA -0.386 4.095 4.470 0.018 0.000 0.239 58 S C -0.006 174.615 174.600 0.035 0.000 0.823 58 S CA 0.852 59.070 58.200 0.029 0.000 1.359 58 S CB -0.142 63.073 63.200 0.026 0.000 1.678 58 S HN 0.884 9.215 8.310 0.036 0.000 0.521 59 G N -1.046 107.797 108.800 0.070 0.000 2.610 59 G HA2 -0.259 4.181 3.960 0.167 0.000 0.304 59 G HA3 -0.259 3.851 3.960 0.008 -0.145 0.304 59 G C -2.191 172.788 174.900 0.132 0.000 1.309 59 G CA -0.406 44.747 45.100 0.088 0.000 0.906 59 G HN -0.562 7.669 8.290 0.084 0.109 0.521 60 F N -2.908 117.091 119.950 0.082 0.000 2.611 60 F HA 0.488 5.029 4.527 0.023 0.000 0.324 60 F C -2.548 173.305 175.800 0.088 0.000 1.061 60 F CA -2.052 55.980 58.000 0.054 0.000 0.954 60 F CB 2.404 41.420 39.000 0.026 0.000 1.301 60 F HN -0.455 7.641 8.300 -0.341 0.000 0.482 61 D N -1.868 118.648 120.400 0.195 0.000 2.477 61 D HA 0.532 5.148 4.640 -0.040 0.000 0.234 61 D C -1.124 175.319 176.300 0.238 0.000 1.048 61 D CA -0.603 53.442 54.000 0.075 0.000 0.959 61 D CB 3.558 44.328 40.800 -0.049 0.000 1.408 61 D HN -0.152 8.395 8.370 0.295 0.000 0.496 62 L N -1.153 120.176 121.223 0.177 0.000 2.833 62 L HA 0.385 4.840 4.340 0.192 0.000 0.241 62 L C 0.855 177.809 176.870 0.139 0.000 1.584 62 L CA -1.353 53.610 54.840 0.205 0.000 1.637 62 L CB 2.048 44.287 42.059 0.300 0.000 1.875 62 L HN -0.267 8.026 8.230 0.104 0.000 0.540 63 A N -0.711 122.217 122.820 0.180 0.000 1.873 63 A HA -0.141 4.237 4.320 0.096 0.000 0.218 63 A C 0.861 178.509 177.584 0.105 0.000 1.193 63 A CA 2.825 54.949 52.037 0.144 0.000 0.629 63 A CB -0.202 18.926 19.000 0.214 0.000 0.826 63 A HN 0.182 8.480 8.150 0.247 0.000 0.447 64 G N -4.413 104.458 108.800 0.119 0.000 4.956 64 G HA2 0.053 4.029 3.960 0.028 0.000 0.263 64 G HA3 0.053 4.051 3.960 0.064 0.000 0.263 64 G C -1.115 173.814 174.900 0.049 0.000 0.958 64 G CA 0.096 45.233 45.100 0.062 0.000 0.749 64 G HN -0.233 8.158 8.290 0.168 0.000 0.356 65 V N 0.571 120.517 119.914 0.054 0.000 2.925 65 V HA 0.295 4.379 4.120 -0.061 0.000 0.311 65 V C -2.118 173.931 176.094 -0.075 0.000 1.104 65 V CA -1.328 60.937 62.300 -0.058 0.000 0.954 65 V CB 3.553 35.279 31.823 -0.161 0.000 1.022 65 V HN -0.660 7.584 8.190 0.090 0.000 0.427 66 H N -0.548 118.108 119.070 -0.689 0.000 3.017 66 H HA 0.325 4.450 4.556 -0.783 -0.039 0.346 66 H C -2.660 171.934 175.328 -1.224 0.000 1.286 66 H CA -1.411 54.145 56.048 -0.820 0.000 1.120 66 H CB 2.299 31.748 29.762 -0.521 0.000 1.860 66 H HN -0.182 7.502 8.280 -0.994 0.000 0.542 67 Y N -5.114 114.711 120.300 -0.792 0.000 2.705 67 Y HA 0.301 4.601 4.550 -0.416 0.000 0.332 67 Y C -0.795 174.914 175.900 -0.318 0.000 1.157 67 Y CA -0.926 56.889 58.100 -0.476 0.000 1.091 67 Y CB 3.057 41.355 38.460 -0.270 0.000 1.301 67 Y HN -0.465 7.111 8.280 -1.174 0.000 0.488 68 V N -0.574 119.370 119.914 0.049 0.000 2.992 68 V HA 0.089 4.224 4.120 0.026 0.000 0.250 68 V C -0.505 175.676 176.094 0.145 0.000 1.090 68 V CA -0.015 62.321 62.300 0.060 0.000 1.101 68 V CB 1.067 32.920 31.823 0.050 0.000 0.743 68 V HN -0.005 8.254 8.190 0.115 0.000 0.468 69 T N -0.576 114.100 114.554 0.204 0.000 0.915 69 T HA -0.387 4.103 4.350 0.233 0.000 0.734 69 T C -0.211 174.582 174.700 0.155 0.000 0.985 69 T CA 1.495 63.736 62.100 0.236 0.000 3.878 69 T CB -0.989 68.087 68.868 0.347 0.000 2.195 69 T HN -0.654 7.710 8.240 0.206 0.000 0.387 70 L N 3.769 125.069 121.223 0.127 0.000 2.115 70 L HA -0.034 4.359 4.340 0.089 0.000 0.200 70 L C -0.040 176.881 176.870 0.085 0.000 1.094 70 L CA 2.304 57.202 54.840 0.097 0.000 0.769 70 L CB 0.283 42.396 42.059 0.090 0.000 0.931 70 L HN 0.358 8.668 8.230 0.133 0.000 0.455 71 R N -2.078 118.468 120.500 0.078 0.000 2.514 71 R HA 0.179 4.550 4.340 0.051 0.000 0.301 71 R C -1.826 174.492 176.300 0.030 0.000 0.962 71 R CA -0.703 55.427 56.100 0.050 0.000 0.882 71 R CB 1.342 31.666 30.300 0.040 0.000 1.143 71 R HN -0.432 7.890 8.270 0.087 0.000 0.452 72 A N 3.027 125.862 122.820 0.025 0.000 2.741 72 A HA 0.305 4.574 4.320 -0.085 0.000 0.298 72 A C -2.136 175.424 177.584 -0.040 0.000 1.153 72 A CA 0.314 52.353 52.037 0.004 0.000 0.816 72 A CB 0.890 19.994 19.000 0.173 0.000 1.396 72 A HN 0.420 8.589 8.150 0.032 0.000 0.407 73 D N 1.147 121.465 120.400 -0.136 0.000 1.490 73 D HA -0.068 4.474 4.640 -0.164 0.000 0.826 73 D C 0.095 176.312 176.300 -0.139 0.000 0.451 73 D CA 1.067 54.992 54.000 -0.125 0.000 1.354 73 D CB 0.617 41.394 40.800 -0.038 0.000 1.048 73 D HN 0.378 8.647 8.370 -0.168 0.000 0.389 74 D N 0.461 120.790 120.400 -0.119 0.000 2.036 74 D HA -0.051 4.546 4.640 -0.072 0.000 0.236 74 D C 1.054 177.274 176.300 -0.132 0.000 0.976 74 D CA 1.755 55.697 54.000 -0.096 0.000 0.918 74 D CB 0.698 41.459 40.800 -0.064 0.000 1.094 74 D HN 0.321 8.627 8.370 -0.106 0.000 0.459 75 R N -4.319 116.093 120.500 -0.146 0.000 3.059 75 R HA 0.111 4.348 4.340 -0.171 0.000 0.161 75 R C -0.076 176.090 176.300 -0.224 0.000 0.758 75 R CA 0.356 56.363 56.100 -0.156 0.000 1.064 75 R CB 0.803 31.056 30.300 -0.078 0.000 1.538 75 R HN -0.154 8.036 8.270 -0.134 0.000 0.574 76 S N 0.259 115.817 115.700 -0.235 0.000 2.672 76 S HA 0.139 4.385 4.470 -0.373 0.000 0.276 76 S C -1.200 173.026 174.600 -0.625 0.000 1.207 76 S CA -0.244 57.695 58.200 -0.435 0.000 1.002 76 S CB 1.700 64.653 63.200 -0.411 0.000 0.998 76 S HN -0.140 8.073 8.310 -0.161 0.000 0.542 77 I N -0.380 119.689 120.570 -0.834 0.000 2.700 77 I HA 0.191 4.084 4.170 -0.461 0.000 0.272 77 I C -2.027 173.786 176.117 -0.508 0.000 1.293 77 I CA 0.514 61.483 61.300 -0.552 0.000 0.989 77 I CB 1.732 39.578 38.000 -0.257 0.000 1.301 77 I HN -0.370 7.299 8.210 -0.903 0.000 0.525 78 Y N 3.118 123.412 120.300 -0.010 0.000 2.594 78 Y HA 0.326 4.854 4.550 -0.036 0.000 0.342 78 Y C 0.735 176.630 175.900 -0.008 0.000 1.010 78 Y CA -2.407 55.684 58.100 -0.016 0.000 1.270 78 Y CB -0.650 37.806 38.460 -0.006 0.000 1.125 78 Y HN -0.223 7.544 8.280 -0.855 0.000 0.513 79 G N 3.100 111.928 108.800 0.047 0.000 2.562 79 G HA2 0.176 4.204 3.960 0.113 0.000 0.275 79 G HA3 0.176 4.169 3.960 0.055 0.000 0.275 79 G C -2.165 172.699 174.900 -0.058 0.000 1.196 79 G CA -0.487 44.633 45.100 0.035 0.000 0.908 79 G HN -0.103 8.177 8.290 -0.017 0.000 0.524 80 K N -2.964 117.481 120.400 0.076 0.000 2.548 80 K HA 0.376 4.779 4.320 0.139 0.000 0.282 80 K C -1.135 175.630 176.600 0.276 0.000 1.006 80 K CA -0.998 55.390 56.287 0.168 0.000 0.892 80 K CB 3.100 35.674 32.500 0.124 0.000 1.499 80 K HN -0.260 8.073 8.250 0.138 0.000 0.433 81 K N -1.707 118.813 120.400 0.200 0.000 2.521 81 K HA 0.302 4.613 4.320 -0.014 0.000 0.213 81 K C 0.775 177.346 176.600 -0.049 0.000 1.223 81 K CA -0.112 56.164 56.287 -0.019 0.000 1.013 81 K CB 1.207 33.522 32.500 -0.310 0.000 1.017 81 K HN 0.194 8.551 8.250 0.178 0.000 0.591 82 G N -0.817 107.978 108.800 -0.008 0.000 2.316 82 G HA2 -0.330 3.635 3.960 0.007 0.000 0.203 82 G HA3 -0.330 3.613 3.960 -0.029 0.000 0.203 82 G C -0.766 174.119 174.900 -0.024 0.000 0.999 82 G CA 0.717 45.809 45.100 -0.014 0.000 0.649 82 G HN 0.112 8.420 8.290 0.030 0.000 0.489 83 S N -0.421 115.246 115.700 -0.055 0.000 3.429 83 S HA -0.029 4.423 4.470 -0.029 0.000 0.237 83 S C -1.306 173.246 174.600 -0.081 0.000 1.037 83 S CA 0.256 58.420 58.200 -0.060 0.000 0.806 83 S CB 1.638 64.785 63.200 -0.089 0.000 0.882 83 S HN -0.283 7.908 8.310 -0.080 0.070 0.556 84 A N -0.245 122.489 122.820 -0.143 0.000 2.517 84 A HA 0.237 4.362 4.320 -0.325 0.000 0.280 84 A C -1.916 175.512 177.584 -0.260 0.000 1.353 84 A CA -0.936 50.942 52.037 -0.266 0.000 0.907 84 A CB 1.960 20.805 19.000 -0.258 0.000 1.495 84 A HN -0.356 7.696 8.150 -0.164 0.000 0.506 85 G N -4.948 103.453 108.800 -0.666 0.000 2.667 85 G HA2 0.360 4.248 3.960 -0.120 0.000 0.294 85 G HA3 0.360 4.155 3.960 -0.276 0.000 0.294 85 G C -3.489 171.103 174.900 -0.513 0.000 1.467 85 G CA 0.364 45.181 45.100 -0.472 0.000 0.852 85 G HN -0.513 7.178 8.290 -0.999 0.000 0.521 86 V N 2.690 122.301 119.914 -0.504 0.000 2.445 86 V HA 0.787 5.194 4.120 0.021 -0.274 0.283 86 V C -2.200 173.859 176.094 -0.058 0.000 1.014 86 V CA -3.016 59.139 62.300 -0.241 0.000 0.852 86 V CB 2.325 33.876 31.823 -0.454 0.000 1.021 86 V HN -0.273 7.493 8.190 -0.707 0.000 0.435 87 I N 9.317 129.957 120.570 0.117 0.000 2.406 87 I HA -0.063 4.223 4.170 0.193 0.000 0.293 87 I C -1.500 174.604 176.117 -0.021 0.000 1.101 87 I CA 0.598 61.973 61.300 0.125 0.000 1.334 87 I CB -0.172 37.929 38.000 0.169 0.000 1.421 87 I HN 0.135 8.476 8.210 0.218 0.000 0.513 88 T N 8.309 122.819 114.554 -0.072 0.000 2.947 88 T HA 0.883 5.458 4.350 -0.135 -0.306 0.337 88 T C -0.436 174.149 174.700 -0.192 0.000 1.139 88 T CA -2.370 59.661 62.100 -0.116 0.000 0.992 88 T CB 0.442 69.281 68.868 -0.048 0.000 1.043 88 T HN 0.180 8.377 8.240 -0.070 0.000 0.498 89 V N -0.083 119.696 119.914 -0.226 0.000 3.074 89 V HA 0.469 4.429 4.120 -0.267 0.000 0.314 89 V C -1.804 174.178 176.094 -0.187 0.000 1.117 89 V CA -3.503 58.660 62.300 -0.227 0.000 1.014 89 V CB 3.705 35.436 31.823 -0.153 0.000 1.057 89 V HN -0.498 7.528 8.190 -0.274 0.000 0.438 90 K N 1.090 121.409 120.400 -0.136 0.000 2.098 90 K HA 0.798 5.261 4.320 -0.118 -0.214 0.258 90 K C 0.074 176.638 176.600 -0.059 0.000 0.973 90 K CA -0.142 56.086 56.287 -0.097 0.000 0.898 90 K CB 1.888 34.352 32.500 -0.060 0.000 1.057 90 K HN 0.346 8.512 8.250 -0.139 0.000 0.447 91 T N -0.109 114.380 114.554 -0.109 0.000 3.324 91 T HA 0.271 4.623 4.350 0.003 0.000 0.127 91 T C 0.045 174.430 174.700 -0.525 0.000 0.836 91 T CA 0.227 62.252 62.100 -0.125 0.000 0.774 91 T CB 1.276 70.144 68.868 -0.000 0.000 1.366 91 T HN 0.033 8.170 8.240 -0.171 0.000 0.277 92 S N 2.740 118.013 115.700 -0.711 0.000 3.700 92 S HA 0.078 2.964 4.470 -2.640 0.000 0.192 92 S C -0.560 173.628 174.600 -0.686 0.000 1.430 92 S CA -0.473 56.999 58.200 -1.213 0.000 0.999 92 S CB -1.105 61.596 63.200 -0.833 0.000 1.411 92 S HN -0.084 7.948 8.310 -0.464 0.000 0.491 93 K N -1.421 118.756 120.400 -0.371 0.000 3.160 93 K HA -0.329 3.989 4.320 -0.004 0.000 0.280 93 K C -2.050 174.269 176.600 -0.470 0.000 1.154 93 K CA 1.157 57.335 56.287 -0.181 0.000 0.822 93 K CB -1.830 30.621 32.500 -0.081 0.000 1.239 93 K HN -0.354 7.691 8.250 -0.256 0.052 0.489 94 S N -6.007 109.340 115.700 -0.588 0.000 2.541 94 S HA 0.231 4.062 4.470 -1.065 0.000 0.271 94 S C -2.091 172.338 174.600 -0.285 0.000 1.133 94 S CA -1.992 55.653 58.200 -0.925 0.000 0.876 94 S CB 3.263 65.545 63.200 -1.531 0.000 1.105 94 S HN -0.774 7.251 8.310 -0.432 0.026 0.470 95 I N 1.591 122.173 120.570 0.019 0.000 2.361 95 I HA 0.609 4.976 4.170 -0.107 -0.261 0.282 95 I C 0.285 176.360 176.117 -0.070 0.000 1.075 95 I CA -1.300 59.994 61.300 -0.011 0.000 1.205 95 I CB -0.584 37.473 38.000 0.094 0.000 1.406 95 I HN -0.236 8.187 8.210 0.354 0.000 0.481 96 L N 4.289 125.327 121.223 -0.308 0.000 2.492 96 L HA 0.065 4.238 4.340 -0.279 0.000 0.280 96 L C -0.904 175.755 176.870 -0.352 0.000 1.240 96 L CA 0.672 55.201 54.840 -0.519 0.000 0.831 96 L CB 0.267 41.390 42.059 -1.560 0.000 1.100 96 L HN -0.118 7.885 8.230 -0.378 0.000 0.505 97 V N 0.726 120.502 119.914 -0.230 0.000 2.465 97 V HA 0.331 4.577 4.120 -0.090 -0.180 0.263 97 V C -0.221 175.869 176.094 -0.006 0.000 0.981 97 V CA -1.878 60.382 62.300 -0.066 0.000 0.838 97 V CB 0.215 32.083 31.823 0.074 0.000 1.068 97 V HN 0.054 8.114 8.190 -0.216 0.000 0.458 98 G N 6.433 115.219 108.800 -0.023 0.000 2.563 98 G HA2 -0.050 4.001 3.960 0.152 0.000 0.295 98 G HA3 -0.050 3.983 3.960 0.121 0.000 0.295 98 G C -1.403 173.652 174.900 0.259 0.000 0.874 98 G CA 0.328 45.504 45.100 0.127 0.000 1.642 98 G HN 0.245 8.474 8.290 -0.102 0.000 0.483 99 V N 6.377 126.410 119.914 0.199 0.000 2.353 99 V HA 0.401 4.686 4.120 0.059 -0.130 0.264 99 V C -1.014 175.201 176.094 0.201 0.000 1.049 99 V CA -1.751 60.608 62.300 0.098 0.000 0.896 99 V CB -0.929 30.805 31.823 -0.149 0.000 1.025 99 V HN -0.448 7.782 8.190 0.184 0.071 0.475 100 Y N 2.672 122.980 120.300 0.014 0.000 2.665 100 Y HA 0.684 5.253 4.550 0.030 0.000 0.336 100 Y C -1.628 174.288 175.900 0.026 0.000 1.085 100 Y CA -3.429 54.688 58.100 0.028 0.000 1.096 100 Y CB 2.457 40.940 38.460 0.037 0.000 1.301 100 Y HN -0.125 8.084 8.280 -0.118 0.000 0.493 101 N N -0.180 118.549 118.700 0.048 0.000 2.681 101 N HA 0.149 4.795 4.740 -0.156 0.000 0.311 101 N C 1.112 176.632 175.510 0.018 0.000 1.303 101 N CA -1.944 51.077 53.050 -0.049 0.000 0.926 101 N CB 0.640 39.131 38.487 0.007 0.000 1.136 101 N HN -0.037 8.464 8.380 0.201 0.000 0.592 102 E N -3.080 117.124 120.200 0.007 0.000 2.268 102 E HA -0.283 4.271 4.350 0.058 -0.170 0.195 102 E C 0.815 177.469 176.600 0.091 0.000 0.995 102 E CA 2.071 58.498 56.400 0.045 0.000 0.836 102 E CB -0.310 29.397 29.700 0.011 0.000 0.763 102 E HN 0.402 8.751 8.360 -0.018 0.000 0.491 103 K N -0.993 119.460 120.400 0.088 0.000 2.074 103 K HA -0.221 4.133 4.320 0.057 0.000 0.209 103 K C 0.416 177.077 176.600 0.102 0.000 1.048 103 K CA 2.052 58.388 56.287 0.081 0.000 0.926 103 K CB -0.138 32.405 32.500 0.073 0.000 0.713 103 K HN -0.305 8.068 8.250 0.074 -0.079 0.444 104 I N -1.946 118.729 120.570 0.175 0.000 2.396 104 I HA -0.105 4.097 4.170 0.054 0.000 0.292 104 I C -1.419 174.789 176.117 0.152 0.000 0.999 104 I CA -0.446 60.929 61.300 0.126 0.000 1.310 104 I CB 0.881 38.928 38.000 0.078 0.000 1.404 104 I HN -0.823 7.669 8.210 0.247 -0.134 0.496 105 Q N 6.484 126.312 119.800 0.047 0.000 2.299 105 Q HA 0.177 4.582 4.340 0.109 0.000 0.246 105 Q C -0.867 175.147 176.000 0.023 0.000 0.935 105 Q CA -1.095 54.743 55.803 0.058 0.000 0.887 105 Q CB 0.215 28.961 28.738 0.014 0.000 1.223 105 Q HN 0.175 8.447 8.270 0.004 0.000 0.439 106 P HA -0.051 4.447 4.420 0.130 0.000 0.231 106 P C -0.044 177.228 177.300 -0.046 0.000 1.158 106 P CA 1.143 64.290 63.100 0.078 0.000 0.763 106 P CB 0.367 32.139 31.700 0.119 0.000 0.805 107 G N -2.194 106.571 108.800 -0.058 0.000 2.651 107 G HA2 0.026 3.919 3.960 -0.111 0.000 0.207 107 G HA3 0.026 3.947 3.960 -0.064 0.000 0.207 107 G C 0.806 175.641 174.900 -0.110 0.000 1.131 107 G CA 0.935 45.982 45.100 -0.087 0.000 0.816 107 G HN -0.072 8.117 8.290 -0.032 0.082 0.534 108 T N 4.138 118.631 114.554 -0.100 0.000 2.881 108 T HA -0.255 4.043 4.350 -0.087 0.000 0.270 108 T C 1.293 175.908 174.700 -0.141 0.000 1.068 108 T CA 2.971 65.009 62.100 -0.103 0.000 1.131 108 T CB -0.928 67.891 68.868 -0.082 0.000 0.871 108 T HN -0.234 7.957 8.240 -0.081 0.000 0.479 109 A N 0.313 123.005 122.820 -0.212 0.000 1.984 109 A HA -0.062 4.149 4.320 -0.182 0.000 0.214 109 A C 0.665 178.139 177.584 -0.182 0.000 1.173 109 A CA 2.268 54.156 52.037 -0.249 0.000 0.673 109 A CB -0.858 17.822 19.000 -0.534 0.000 0.830 109 A HN -0.561 7.427 8.150 -0.229 0.025 0.453 110 A N -2.372 120.317 122.820 -0.218 0.000 2.066 110 A HA -0.218 3.915 4.320 -0.312 0.000 0.218 110 A C 1.677 179.129 177.584 -0.220 0.000 1.157 110 A CA 2.454 54.314 52.037 -0.295 0.000 0.670 110 A CB -0.730 18.024 19.000 -0.410 0.000 0.804 110 A HN -0.058 7.885 8.150 -0.218 0.077 0.453 111 N N -1.830 116.777 118.700 -0.155 0.000 2.207 111 N HA -0.166 4.500 4.740 -0.123 0.000 0.182 111 N C 1.947 177.401 175.510 -0.093 0.000 1.020 111 N CA 2.841 55.821 53.050 -0.117 0.000 0.858 111 N CB 0.463 38.891 38.487 -0.099 0.000 0.991 111 N HN -0.541 7.710 8.380 -0.151 0.039 0.427 112 V N 0.377 120.243 119.914 -0.079 0.000 2.453 112 V HA -0.260 3.804 4.120 -0.094 0.000 0.247 112 V C 1.616 177.708 176.094 -0.003 0.000 1.048 112 V CA 3.186 65.447 62.300 -0.065 0.000 1.049 112 V CB -0.462 31.325 31.823 -0.061 0.000 0.672 112 V HN -0.760 7.377 8.190 -0.088 0.000 0.457 113 V N -2.361 117.603 119.914 0.083 0.000 3.141 113 V HA -0.369 4.057 4.120 0.509 0.000 0.265 113 V C 1.592 177.800 176.094 0.190 0.000 1.126 113 V CA 2.608 65.084 62.300 0.294 0.000 1.141 113 V CB -0.978 31.022 31.823 0.296 0.000 0.743 113 V HN -0.337 7.868 8.190 0.025 0.000 0.492 114 E N -0.921 119.300 120.200 0.035 0.000 2.190 114 E HA -0.243 4.152 4.350 0.075 0.000 0.191 114 E C 1.996 178.563 176.600 -0.055 0.000 0.978 114 E CA 3.259 59.663 56.400 0.006 0.000 0.839 114 E CB -0.177 29.487 29.700 -0.059 0.000 0.787 114 E HN -0.586 7.588 8.360 -0.020 0.174 0.473 115 K N 0.330 120.654 120.400 -0.128 0.000 2.021 115 K HA -0.188 3.963 4.320 -0.282 0.000 0.205 115 K C 2.537 178.849 176.600 -0.479 0.000 1.047 115 K CA 3.050 59.161 56.287 -0.293 0.000 0.943 115 K CB 0.119 32.452 32.500 -0.278 0.000 0.725 115 K HN -0.741 7.447 8.250 -0.103 0.000 0.439 116 L N -2.325 118.703 121.223 -0.325 0.000 2.013 116 L HA -0.407 3.702 4.340 -0.384 0.000 0.212 116 L C 1.411 178.220 176.870 -0.102 0.000 1.073 116 L CA 3.625 58.294 54.840 -0.284 0.000 0.753 116 L CB -0.238 41.639 42.059 -0.302 0.000 0.890 116 L HN -0.508 7.593 8.230 -0.215 0.000 0.432 117 A N -2.280 120.582 122.820 0.071 0.000 1.877 117 A HA -0.405 4.052 4.320 0.227 0.000 0.216 117 A C 1.906 179.533 177.584 0.071 0.000 1.186 117 A CA 3.152 55.286 52.037 0.161 0.000 0.620 117 A CB -0.960 18.165 19.000 0.208 0.000 0.822 117 A HN -0.641 7.580 8.150 0.118 0.000 0.443 118 D N -2.403 117.975 120.400 -0.037 0.000 2.276 118 D HA -0.339 4.320 4.640 0.032 0.000 0.200 118 D C 2.282 178.638 176.300 0.093 0.000 1.004 118 D CA 3.715 57.697 54.000 -0.030 0.000 0.898 118 D CB -0.370 40.343 40.800 -0.147 0.000 0.906 118 D HN -0.302 7.967 8.370 -0.071 0.059 0.457 119 Y N -2.452 117.888 120.300 0.067 0.000 2.184 119 Y HA -0.179 4.401 4.550 0.051 0.000 0.290 119 Y C 2.028 177.986 175.900 0.097 0.000 1.129 119 Y CA 1.545 59.682 58.100 0.062 0.000 1.144 119 Y CB -0.091 38.394 38.460 0.043 0.000 0.995 119 Y HN -0.642 7.401 8.280 -0.129 0.159 0.513 120 L N -2.656 118.739 121.223 0.287 0.000 2.599 120 L HA -0.103 4.427 4.340 0.316 0.000 0.230 120 L C 1.273 178.350 176.870 0.345 0.000 1.141 120 L CA 1.319 56.328 54.840 0.282 0.000 0.877 120 L CB -0.104 42.025 42.059 0.118 0.000 1.009 120 L HN -0.289 8.023 8.230 0.260 0.073 0.447 121 I N -1.766 118.944 120.570 0.232 0.000 2.406 121 I HA -0.271 4.022 4.170 0.205 0.000 0.249 121 I C 1.536 177.733 176.117 0.134 0.000 1.122 121 I CA 0.510 61.917 61.300 0.178 0.000 1.431 121 I CB -1.382 36.688 38.000 0.117 0.000 1.087 121 I HN -0.109 8.050 8.210 0.205 0.174 0.424 122 G N -1.521 107.357 108.800 0.131 0.000 2.545 122 G HA2 -0.306 3.688 3.960 0.058 0.000 0.222 122 G HA3 -0.306 3.707 3.960 0.088 0.000 0.222 122 G C 1.265 176.182 174.900 0.029 0.000 1.126 122 G CA 1.773 46.920 45.100 0.079 0.000 0.754 122 G HN -0.005 8.381 8.290 0.161 0.000 0.583 123 Q N -0.085 119.737 119.800 0.037 0.000 2.036 123 Q HA 0.015 4.265 4.340 -0.151 0.000 0.195 123 Q C 0.918 176.741 176.000 -0.296 0.000 0.971 123 Q CA 0.217 55.918 55.803 -0.170 0.000 0.826 123 Q CB 1.263 29.831 28.738 -0.284 0.000 0.896 123 Q HN -0.474 7.872 8.270 0.152 0.015 0.449 124 G N -0.422 108.240 108.800 -0.230 0.000 3.391 124 G HA2 -0.260 3.763 3.960 0.105 0.000 0.683 124 G HA3 -0.260 3.628 3.960 -0.121 0.000 0.683 124 G C -1.411 173.280 174.900 -0.349 0.000 1.071 124 G CA 0.003 45.031 45.100 -0.120 0.000 0.904 124 G HN -0.567 7.750 8.290 0.046 0.000 0.452 125 F N 0.000 119.939 119.950 -0.019 0.000 2.286 125 F HA 0.000 4.515 4.527 -0.020 0.000 0.279 125 F CA 0.000 57.984 58.000 -0.027 0.000 1.383 125 F CB 0.000 38.974 39.000 -0.043 0.000 1.145 125 F HN 0.000 8.640 8.300 0.566 0.000 0.574