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 1zls_1_L DATA FIRST_RESID 2 DATA SEQUENCE VVMTQSPSTL SASVGDTITI TcRASQSIET WLAWYQQKPG KAPKLLIYKA DATA SEQUENCE STLKTGVPSR FSGSGSGTEF TLTISGLQFD DFATYHcQHY AGYSATFGQG DATA SEQUENCE TRVEIKRTVA APSVFIFPPS DEQLKSGTAS VVcLLNNFYP REAKVQWKVD DATA SEQUENCE NALQSGNSQE SVTEQDSKDS TYSLSSTLTL SKADYEKHKV YAcEVTHQGL DATA SEQUENCE SSPVTKSFN 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 2 V HA 0.000 4.120 4.120 0.000 0.000 0.244 2 V C 0.000 176.115 176.094 0.034 0.000 1.182 2 V CA 0.000 62.317 62.300 0.028 0.000 1.235 2 V CB 0.000 31.839 31.823 0.027 0.000 1.184 3 V N 5.611 125.542 119.914 0.029 0.000 2.394 3 V HA 0.578 4.706 4.120 0.014 0.000 0.282 3 V C -0.027 176.091 176.094 0.040 0.000 1.031 3 V CA -0.454 61.869 62.300 0.038 0.000 0.881 3 V CB 1.774 33.619 31.823 0.037 0.000 0.982 3 V HN 0.772 8.962 8.190 0.000 0.000 0.451 4 M N 3.938 123.567 119.600 0.048 0.000 2.129 4 M HA 0.427 4.915 4.480 0.014 0.000 0.348 4 M C -0.168 176.176 176.300 0.073 0.000 1.116 4 M CA -0.196 55.135 55.300 0.051 0.000 1.022 4 M CB 1.173 33.796 32.600 0.038 0.000 1.599 4 M HN 0.546 8.836 8.290 0.000 0.000 0.449 5 T N 3.103 117.707 114.554 0.083 0.000 2.791 5 T HA 0.409 4.767 4.350 0.014 0.000 0.288 5 T C -0.100 174.676 174.700 0.126 0.000 0.999 5 T CA -0.570 61.588 62.100 0.097 0.000 0.952 5 T CB 1.523 70.441 68.868 0.084 0.000 0.938 5 T HN 0.509 8.749 8.240 0.000 0.000 0.444 6 Q N 2.296 122.182 119.800 0.143 0.000 2.241 6 Q HA 0.597 4.945 4.340 0.014 0.000 0.254 6 Q C -0.420 175.681 176.000 0.168 0.000 0.917 6 Q CA -0.517 55.400 55.803 0.189 0.000 0.919 6 Q CB 0.944 29.811 28.738 0.215 0.000 1.237 6 Q HN 0.851 9.121 8.270 0.000 0.000 0.434 7 S N 2.866 118.673 115.700 0.177 0.000 2.564 7 S HA 0.743 5.221 4.470 0.014 0.000 0.274 7 S C -2.794 171.885 174.600 0.133 0.000 1.124 7 S CA -1.390 56.892 58.200 0.136 0.000 0.869 7 S CB 2.082 65.345 63.200 0.105 0.000 1.105 7 S HN 0.406 8.716 8.310 0.000 0.000 0.472 8 P HA 0.410 4.830 4.420 0.000 0.000 0.277 8 P C 0.494 177.859 177.300 0.108 0.000 1.271 8 P CA -0.532 62.625 63.100 0.094 0.000 0.795 8 P CB 0.625 32.370 31.700 0.075 0.000 1.101 9 S N -1.347 114.408 115.700 0.091 0.000 2.368 9 S HA -0.010 4.468 4.470 0.014 0.000 0.224 9 S C 0.661 175.318 174.600 0.096 0.000 1.029 9 S CA 1.332 59.588 58.200 0.092 0.000 0.988 9 S CB -0.372 62.869 63.200 0.067 0.000 0.838 9 S HN 0.608 8.918 8.310 0.000 0.000 0.462 10 T N 0.815 115.421 114.554 0.087 0.000 2.912 10 T HA 0.602 4.961 4.350 0.014 0.000 0.299 10 T C -1.294 173.466 174.700 0.100 0.000 1.052 10 T CA -0.450 61.706 62.100 0.093 0.000 0.996 10 T CB 2.145 71.050 68.868 0.061 0.000 1.070 10 T HN 0.064 8.304 8.240 0.000 0.000 0.465 11 L N 1.867 123.167 121.223 0.128 0.000 2.409 11 L HA 0.633 4.981 4.340 0.014 0.000 0.272 11 L C -0.595 176.375 176.870 0.168 0.000 0.980 11 L CA -0.437 54.478 54.840 0.124 0.000 0.826 11 L CB 1.809 43.933 42.059 0.108 0.000 1.268 11 L HN 0.601 8.831 8.230 0.000 0.000 0.407 12 S N 3.208 119.006 115.700 0.163 0.000 2.442 12 S HA 0.870 5.348 4.470 0.014 0.000 0.297 12 S C -0.272 174.427 174.600 0.164 0.000 1.131 12 S CA -0.378 57.944 58.200 0.204 0.000 1.092 12 S CB 1.556 64.897 63.200 0.235 0.000 0.998 12 S HN 0.722 9.032 8.310 0.000 0.000 0.478 13 A N 2.717 125.661 122.820 0.207 0.000 2.564 13 A HA 0.895 5.223 4.320 0.014 0.000 0.288 13 A C -0.667 177.037 177.584 0.201 0.000 1.164 13 A CA -0.712 51.428 52.037 0.171 0.000 0.712 13 A CB 1.407 20.487 19.000 0.134 0.000 1.303 13 A HN 0.590 8.740 8.150 0.000 0.000 0.418 14 S N -0.451 115.321 115.700 0.120 0.000 2.568 14 S HA 0.565 5.043 4.470 0.014 0.000 0.302 14 S C -0.310 174.312 174.600 0.038 0.000 1.082 14 S CA -0.539 57.705 58.200 0.073 0.000 1.009 14 S CB 1.584 64.783 63.200 -0.002 0.000 1.069 14 S HN 1.028 9.338 8.310 0.000 0.000 0.500 15 V N 2.064 121.952 119.914 -0.044 0.000 2.557 15 V HA 0.408 4.536 4.120 0.014 0.000 0.301 15 V C 1.511 177.515 176.094 -0.150 0.000 1.026 15 V CA 0.805 62.976 62.300 -0.216 0.000 1.137 15 V CB -0.696 30.811 31.823 -0.525 0.000 0.917 15 V HN 1.323 9.513 8.190 0.000 0.000 0.484 16 G N 2.837 111.543 108.800 -0.156 0.000 2.213 16 G HA2 -0.194 3.774 3.960 0.014 0.000 0.236 16 G HA3 -0.194 3.774 3.960 0.014 0.000 0.236 16 G C -0.059 174.776 174.900 -0.109 0.000 0.991 16 G CA 0.074 45.103 45.100 -0.118 0.000 0.629 16 G HN 0.719 9.009 8.290 0.000 0.000 0.517 17 D N 0.948 121.284 120.400 -0.106 0.000 2.361 17 D HA 0.505 5.153 4.640 0.014 0.000 0.239 17 D C 0.503 176.727 176.300 -0.126 0.000 1.200 17 D CA 0.729 54.673 54.000 -0.093 0.000 0.915 17 D CB 0.722 41.483 40.800 -0.065 0.000 1.170 17 D HN 0.062 8.432 8.370 0.000 0.000 0.444 18 T N 1.036 115.524 114.554 -0.111 0.000 2.749 18 T HA 0.566 4.924 4.350 0.014 0.000 0.287 18 T C 0.165 174.790 174.700 -0.126 0.000 0.970 18 T CA -0.547 61.472 62.100 -0.134 0.000 0.980 18 T CB 0.145 68.945 68.868 -0.113 0.000 0.924 18 T HN 0.268 8.508 8.240 0.000 0.000 0.456 19 I N 0.794 121.266 120.570 -0.163 0.000 2.785 19 I HA 0.878 5.056 4.170 0.014 0.000 0.302 19 I C -0.250 175.766 176.117 -0.169 0.000 1.069 19 I CA -0.937 60.278 61.300 -0.141 0.000 1.045 19 I CB 2.608 40.527 38.000 -0.135 0.000 1.236 19 I HN 0.546 8.756 8.210 0.000 0.000 0.429 20 T N 2.586 117.064 114.554 -0.127 0.000 2.876 20 T HA 0.745 5.103 4.350 0.014 0.000 0.289 20 T C -0.610 174.031 174.700 -0.100 0.000 1.014 20 T CA -0.576 61.441 62.100 -0.137 0.000 0.986 20 T CB 1.747 70.559 68.868 -0.093 0.000 1.021 20 T HN 0.574 8.814 8.240 0.000 0.000 0.458 21 I N 1.961 122.449 120.570 -0.136 0.000 2.465 21 I HA 0.435 4.614 4.170 0.014 0.000 0.291 21 I C -0.059 176.106 176.117 0.079 0.000 1.014 21 I CA -0.729 60.553 61.300 -0.030 0.000 1.093 21 I CB 2.447 40.400 38.000 -0.079 0.000 1.267 21 I HN 0.688 8.898 8.210 0.000 0.000 0.431 22 T N 4.216 118.895 114.554 0.208 0.000 2.895 22 T HA 0.364 4.723 4.350 0.014 0.000 0.283 22 T C -1.066 173.872 174.700 0.397 0.000 1.014 22 T CA -0.385 61.884 62.100 0.282 0.000 1.037 22 T CB 1.599 70.565 68.868 0.164 0.000 1.006 22 T HN 0.589 8.829 8.240 0.000 0.000 0.468 23 c N 3.873 122.734 118.600 0.435 0.000 2.431 23 c HA 0.634 5.212 4.570 0.014 0.000 0.321 23 c C -0.647 173.617 174.090 0.290 0.000 1.202 23 c CA -0.750 55.766 56.329 0.311 0.000 1.398 23 c CB 0.039 42.648 42.510 0.164 0.000 2.047 23 c HN 0.886 9.116 8.230 0.000 0.000 0.465 24 R N 3.902 124.520 120.500 0.198 0.000 2.514 24 R HA 0.752 5.101 4.340 0.014 0.000 0.301 24 R C -0.464 175.918 176.300 0.136 0.000 0.962 24 R CA -0.354 55.851 56.100 0.175 0.000 0.882 24 R CB 1.806 32.174 30.300 0.114 0.000 1.143 24 R HN 0.772 9.042 8.270 0.000 0.000 0.452 25 A N 0.989 123.896 122.820 0.145 0.000 2.312 25 A HA 0.287 4.616 4.320 0.014 0.000 0.326 25 A C 1.029 178.644 177.584 0.052 0.000 1.172 25 A CA -0.656 51.425 52.037 0.074 0.000 0.821 25 A CB 1.068 20.103 19.000 0.058 0.000 1.166 25 A HN 0.866 9.016 8.150 0.000 0.000 0.493 26 S N 0.758 116.476 115.700 0.030 0.000 2.474 26 S HA -0.003 4.476 4.470 0.014 0.000 0.235 26 S C 0.575 175.184 174.600 0.015 0.000 0.997 26 S CA 1.034 59.249 58.200 0.024 0.000 0.949 26 S CB -0.512 62.702 63.200 0.022 0.000 0.766 26 S HN 0.906 9.216 8.310 0.000 0.000 0.517 27 Q N -0.189 119.614 119.800 0.006 0.000 2.511 27 Q HA 0.589 4.937 4.340 0.014 0.000 0.289 27 Q C -0.960 175.039 176.000 -0.001 0.000 1.021 27 Q CA -0.935 54.869 55.803 0.003 0.000 0.785 27 Q CB 1.120 29.857 28.738 -0.001 0.000 1.472 27 Q HN 0.005 8.275 8.270 0.000 0.000 0.411 28 S N 0.680 116.385 115.700 0.007 0.000 2.546 28 S HA 0.132 4.610 4.470 0.014 0.000 0.290 28 S C 0.603 175.203 174.600 -0.000 0.000 1.290 28 S CA -0.268 57.944 58.200 0.020 0.000 1.069 28 S CB -0.203 63.007 63.200 0.017 0.000 0.846 28 S HN 0.610 8.920 8.310 0.000 0.000 0.495 29 I N 1.064 121.641 120.570 0.012 0.000 3.762 29 I HA 0.393 4.571 4.170 0.014 0.000 0.333 29 I C 0.599 176.753 176.117 0.062 0.000 1.566 29 I CA -0.652 60.599 61.300 -0.083 0.000 1.129 29 I CB -0.191 37.517 38.000 -0.487 0.000 1.218 29 I HN 0.540 8.750 8.210 0.000 0.000 0.456 30 E N 2.289 122.523 120.200 0.057 0.000 3.422 30 E HA -0.355 4.003 4.350 0.014 0.000 0.426 30 E C 0.988 177.571 176.600 -0.028 0.000 1.588 30 E CA 2.751 59.125 56.400 -0.043 0.000 1.437 30 E CB -1.395 28.216 29.700 -0.148 0.000 1.496 30 E HN 0.668 9.028 8.360 0.000 0.000 0.445 31 T N -3.151 111.184 114.554 -0.365 0.000 3.252 31 T HA 0.364 4.723 4.350 0.014 0.000 0.286 31 T C -0.009 174.468 174.700 -0.371 0.000 1.013 31 T CA -0.317 61.667 62.100 -0.194 0.000 0.914 31 T CB -0.823 67.930 68.868 -0.191 0.000 1.131 31 T HN 0.309 8.549 8.240 0.000 0.000 0.529 32 W N 2.094 123.292 121.300 -0.170 0.000 1.828 32 W HA 0.638 5.308 4.660 0.016 0.000 0.470 32 W C -0.256 175.930 176.519 -0.555 0.000 0.786 32 W CA -1.179 55.880 57.345 -0.477 0.000 1.816 32 W CB -0.209 28.960 29.460 -0.485 0.000 1.798 32 W HN 0.227 8.407 8.180 0.000 0.000 0.252 33 L N 2.333 123.463 121.223 -0.155 0.000 2.493 33 L HA 0.832 5.180 4.340 0.014 0.000 0.265 33 L C -0.743 176.189 176.870 0.104 0.000 0.954 33 L CA -0.606 54.100 54.840 -0.222 0.000 0.844 33 L CB 1.467 43.011 42.059 -0.858 0.000 1.302 33 L HN 0.127 8.357 8.230 0.000 0.000 0.405 34 A N 3.307 126.183 122.820 0.093 0.000 2.413 34 A HA 0.858 5.186 4.320 0.014 0.000 0.307 34 A C -2.150 175.333 177.584 -0.168 0.000 1.087 34 A CA -0.427 51.645 52.037 0.057 0.000 0.750 34 A CB 0.980 20.023 19.000 0.071 0.000 1.296 34 A HN 0.697 8.847 8.150 0.000 0.000 0.423 35 W N 0.124 121.373 121.300 -0.084 0.000 2.702 35 W HA 0.673 5.343 4.660 0.017 0.000 0.331 35 W C -1.178 175.186 176.519 -0.258 0.000 1.049 35 W CA -0.028 57.323 57.345 0.011 0.000 1.230 35 W CB 1.613 31.127 29.460 0.090 0.000 1.408 35 W HN 0.621 8.801 8.180 0.000 0.000 0.492 36 Y N 1.071 121.652 120.300 0.467 0.000 2.536 36 Y HA 0.387 4.944 4.550 0.012 0.000 0.347 36 Y C -0.008 176.031 175.900 0.232 0.000 1.000 36 Y CA -1.310 56.969 58.100 0.299 0.000 1.051 36 Y CB 2.215 40.851 38.460 0.294 0.000 1.259 36 Y HN 0.305 8.585 8.280 0.000 0.000 0.468 37 Q N 2.270 122.183 119.800 0.188 0.000 2.306 37 Q HA 0.494 4.842 4.340 0.014 0.000 0.265 37 Q C -1.551 174.421 176.000 -0.046 0.000 1.022 37 Q CA -0.838 54.878 55.803 -0.145 0.000 0.853 37 Q CB 2.058 30.693 28.738 -0.172 0.000 1.327 37 Q HN 0.795 9.065 8.270 0.000 0.000 0.449 38 Q N 2.500 122.206 119.800 -0.157 0.000 2.284 38 Q HA 0.377 4.725 4.340 0.014 0.000 0.269 38 Q C -1.776 174.197 176.000 -0.044 0.000 1.026 38 Q CA -0.647 55.147 55.803 -0.015 0.000 0.831 38 Q CB 1.828 30.653 28.738 0.144 0.000 1.322 38 Q HN 0.482 8.752 8.270 0.000 0.000 0.419 39 K N 2.981 123.380 120.400 -0.002 0.000 2.098 39 K HA 0.502 4.830 4.320 0.014 0.000 0.258 39 K C -2.519 174.102 176.600 0.035 0.000 0.973 39 K CA -1.889 54.410 56.287 0.022 0.000 0.898 39 K CB 0.975 33.496 32.500 0.034 0.000 1.057 39 K HN 0.375 8.625 8.250 0.000 0.000 0.447 40 P HA 0.000 4.420 4.420 0.000 0.000 0.261 40 P C 0.397 177.718 177.300 0.035 0.000 1.183 40 P CA 0.804 63.931 63.100 0.046 0.000 0.761 40 P CB 0.434 32.169 31.700 0.059 0.000 0.785 41 G N 1.745 110.560 108.800 0.026 0.000 2.184 41 G HA2 -0.223 3.746 3.960 0.014 0.000 0.264 41 G HA3 -0.223 3.746 3.960 0.014 0.000 0.264 41 G C 0.256 175.163 174.900 0.012 0.000 0.975 41 G CA 0.080 45.190 45.100 0.017 0.000 0.642 41 G HN 0.522 8.812 8.290 0.000 0.000 0.536 42 K N 0.094 120.502 120.400 0.014 0.000 2.280 42 K HA 0.810 5.138 4.320 0.014 0.000 0.234 42 K C 0.490 177.093 176.600 0.004 0.000 1.028 42 K CA -0.083 56.210 56.287 0.011 0.000 0.882 42 K CB 1.570 34.081 32.500 0.018 0.000 1.194 42 K HN 0.589 8.839 8.250 0.000 0.000 0.458 43 A N 1.985 124.807 122.820 0.002 0.000 2.371 43 A HA 0.405 4.733 4.320 0.014 0.000 0.257 43 A C -2.164 175.428 177.584 0.013 0.000 1.089 43 A CA -1.033 51.001 52.037 -0.005 0.000 0.794 43 A CB -0.560 18.439 19.000 -0.003 0.000 1.029 43 A HN 0.305 8.455 8.150 0.000 0.000 0.488 44 P HA 0.205 4.625 4.420 0.000 0.000 0.268 44 P C -0.696 176.684 177.300 0.133 0.000 1.208 44 P CA 0.216 63.360 63.100 0.073 0.000 0.777 44 P CB 0.389 32.078 31.700 -0.017 0.000 0.875 45 K N 1.402 121.921 120.400 0.197 0.000 2.397 45 K HA 0.404 4.732 4.320 0.014 0.000 0.253 45 K C -0.832 175.893 176.600 0.207 0.000 0.932 45 K CA -1.086 55.296 56.287 0.158 0.000 0.795 45 K CB 1.722 34.256 32.500 0.057 0.000 1.159 45 K HN 0.262 8.512 8.250 0.000 0.000 0.424 46 L N 4.286 125.597 121.223 0.147 0.000 2.416 46 L HA 0.156 4.504 4.340 0.014 0.000 0.272 46 L C 0.014 176.820 176.870 -0.107 0.000 1.161 46 L CA 0.600 55.373 54.840 -0.110 0.000 0.845 46 L CB 0.301 42.316 42.059 -0.073 0.000 1.119 46 L HN 0.772 9.002 8.230 0.000 0.000 0.464 47 L N 4.874 126.010 121.223 -0.146 0.000 2.586 47 L HA 0.401 4.750 4.340 0.014 0.000 0.204 47 L C 0.108 176.975 176.870 -0.005 0.000 1.053 47 L CA 0.049 54.822 54.840 -0.112 0.000 0.856 47 L CB 0.190 42.138 42.059 -0.184 0.000 1.192 47 L HN 0.451 8.681 8.230 0.000 0.000 0.484 48 I N -0.510 120.098 120.570 0.064 0.000 2.656 48 I HA 0.306 4.484 4.170 0.014 0.000 0.292 48 I C -1.415 174.830 176.117 0.213 0.000 1.144 48 I CA -0.853 60.529 61.300 0.136 0.000 1.038 48 I CB 2.529 40.652 38.000 0.204 0.000 1.244 48 I HN -0.032 8.178 8.210 0.000 0.000 0.420 49 Y N 2.267 122.614 120.300 0.080 0.000 2.638 49 Y HA 0.568 5.125 4.550 0.012 0.000 0.339 49 Y C 0.249 176.259 175.900 0.184 0.000 1.084 49 Y CA -2.225 55.949 58.100 0.123 0.000 1.068 49 Y CB 0.769 39.245 38.460 0.026 0.000 1.294 49 Y HN 0.567 8.847 8.280 0.000 0.000 0.480 50 K N 1.001 121.645 120.400 0.407 0.000 3.035 50 K HA -0.208 4.120 4.320 0.014 0.000 0.262 50 K C 0.721 177.354 176.600 0.055 0.000 1.024 50 K CA 1.350 57.734 56.287 0.161 0.000 0.748 50 K CB -1.470 31.074 32.500 0.073 0.000 1.247 50 K HN 1.876 10.126 8.250 0.000 0.000 0.482 51 A N -2.489 120.414 122.820 0.139 0.000 2.079 51 A HA -0.369 3.959 4.320 0.014 0.000 0.230 51 A C 1.276 179.002 177.584 0.235 0.000 0.537 51 A CA 2.616 54.798 52.037 0.241 0.000 1.134 51 A CB -2.225 16.965 19.000 0.318 0.000 1.423 51 A HN 1.383 9.533 8.150 0.000 0.000 0.706 52 S N -2.249 113.502 115.700 0.086 0.000 2.787 52 S HA 0.409 4.887 4.470 0.014 0.000 0.255 52 S C 0.270 174.826 174.600 -0.075 0.000 1.051 52 S CA 0.925 59.143 58.200 0.029 0.000 1.124 52 S CB 0.107 63.318 63.200 0.018 0.000 1.104 52 S HN 0.954 9.264 8.310 0.000 0.000 0.623 53 T N 3.860 118.283 114.554 -0.218 0.000 2.737 53 T HA 0.457 4.816 4.350 0.014 0.000 0.296 53 T C -0.329 174.160 174.700 -0.351 0.000 0.922 53 T CA -0.253 61.619 62.100 -0.381 0.000 1.079 53 T CB 0.784 69.201 68.868 -0.752 0.000 0.892 53 T HN 0.357 8.597 8.240 0.000 0.000 0.514 54 L N 3.925 125.058 121.223 -0.150 0.000 2.397 54 L HA 0.353 4.701 4.340 0.014 0.000 0.271 54 L C 0.586 177.471 176.870 0.025 0.000 1.148 54 L CA -0.182 54.633 54.840 -0.041 0.000 0.825 54 L CB 0.469 42.532 42.059 0.006 0.000 1.117 54 L HN 0.446 8.676 8.230 0.000 0.000 0.456 55 K N 2.544 123.011 120.400 0.112 0.000 2.355 55 K HA 0.117 4.446 4.320 0.014 0.000 0.270 55 K C -0.294 176.364 176.600 0.097 0.000 1.003 55 K CA -0.044 56.357 56.287 0.190 0.000 0.957 55 K CB 0.551 33.136 32.500 0.141 0.000 0.939 55 K HN 0.856 9.106 8.250 0.000 0.000 0.482 56 T N 0.561 115.174 114.554 0.099 0.000 2.946 56 T HA 0.186 4.544 4.350 0.014 0.000 0.311 56 T C 1.102 175.829 174.700 0.044 0.000 1.063 56 T CA 0.331 62.468 62.100 0.063 0.000 1.139 56 T CB 0.563 69.465 68.868 0.057 0.000 0.994 56 T HN 0.873 9.113 8.240 0.000 0.000 0.547 57 G N 1.557 110.380 108.800 0.038 0.000 2.199 57 G HA2 -0.226 3.742 3.960 0.014 0.000 0.254 57 G HA3 -0.226 3.742 3.960 0.014 0.000 0.254 57 G C 0.102 175.021 174.900 0.032 0.000 0.982 57 G CA -0.061 45.059 45.100 0.033 0.000 0.632 57 G HN 1.109 9.399 8.290 0.000 0.000 0.529 58 V N 2.551 122.482 119.914 0.028 0.000 2.546 58 V HA 0.474 4.602 4.120 0.014 0.000 0.284 58 V C -1.248 174.898 176.094 0.086 0.000 1.050 58 V CA -1.338 60.968 62.300 0.011 0.000 0.981 58 V CB 1.377 33.169 31.823 -0.053 0.000 0.990 58 V HN 0.159 8.349 8.190 0.000 0.000 0.474 59 P HA 0.118 4.538 4.420 0.000 0.000 0.269 59 P C 0.605 178.038 177.300 0.222 0.000 1.215 59 P CA -0.152 63.067 63.100 0.198 0.000 0.780 59 P CB 0.468 32.323 31.700 0.258 0.000 0.898 60 S N 1.435 117.200 115.700 0.110 0.000 2.561 60 S HA -0.087 4.391 4.470 0.014 0.000 0.225 60 S C 1.380 175.993 174.600 0.021 0.000 0.977 60 S CA -0.037 58.205 58.200 0.070 0.000 0.926 60 S CB -0.672 62.545 63.200 0.029 0.000 0.769 60 S HN 0.531 8.841 8.310 0.000 0.000 0.533 61 R N 0.247 120.725 120.500 -0.036 0.000 2.285 61 R HA 0.107 4.455 4.340 0.014 0.000 0.213 61 R C -0.517 175.565 176.300 -0.363 0.000 1.068 61 R CA 0.423 56.392 56.100 -0.219 0.000 1.004 61 R CB -0.610 29.498 30.300 -0.320 0.000 0.873 61 R HN 0.386 8.656 8.270 0.000 0.000 0.467 62 F N 2.002 121.899 119.950 -0.088 0.000 2.410 62 F HA 0.302 4.837 4.527 0.014 0.000 0.349 62 F C 0.364 176.098 175.800 -0.110 0.000 1.117 62 F CA -0.447 57.482 58.000 -0.118 0.000 1.104 62 F CB 1.620 40.573 39.000 -0.078 0.000 1.122 62 F HN 0.056 8.356 8.300 0.000 0.000 0.483 63 S N 1.355 117.058 115.700 0.005 0.000 2.588 63 S HA 0.933 5.411 4.470 0.014 0.000 0.275 63 S C -0.636 173.920 174.600 -0.073 0.000 1.130 63 S CA -0.965 57.222 58.200 -0.022 0.000 0.855 63 S CB 1.826 65.000 63.200 -0.044 0.000 1.116 63 S HN 0.873 9.183 8.310 0.000 0.000 0.472 64 G N 0.404 109.194 108.800 -0.017 0.000 2.542 64 G HA2 0.696 4.664 3.960 0.014 0.000 0.311 64 G HA3 0.696 4.664 3.960 0.014 0.000 0.311 64 G C -0.706 174.245 174.900 0.084 0.000 1.298 64 G CA -0.613 44.508 45.100 0.036 0.000 0.973 64 G HN 1.339 9.629 8.290 0.000 0.000 0.487 65 S N -0.358 115.416 115.700 0.124 0.000 2.661 65 S HA 0.982 5.460 4.470 0.014 0.000 0.285 65 S C 0.014 174.689 174.600 0.125 0.000 1.138 65 S CA -0.221 58.037 58.200 0.097 0.000 0.855 65 S CB 1.912 65.120 63.200 0.013 0.000 1.136 65 S HN 2.546 10.856 8.310 0.000 0.000 0.484 66 G N -0.127 108.650 108.800 -0.039 0.000 2.392 66 G HA2 0.462 4.430 3.960 0.014 0.000 0.677 66 G HA3 0.462 4.430 3.960 0.014 0.000 0.677 66 G C -0.722 173.885 174.900 -0.488 0.000 1.334 66 G CA -0.134 44.740 45.100 -0.377 0.000 0.961 66 G HN 2.331 10.620 8.290 0.000 0.000 0.616 67 S N -1.000 114.217 115.700 -0.805 0.000 2.580 67 S HA 0.943 5.421 4.470 0.014 0.000 0.281 67 S C 0.816 175.172 174.600 -0.406 0.000 1.129 67 S CA 0.745 58.706 58.200 -0.398 0.000 0.862 67 S CB 1.308 64.411 63.200 -0.161 0.000 1.090 67 S HN 3.177 11.487 8.310 0.000 0.000 0.451 68 G N 1.923 110.675 108.800 -0.080 0.000 2.866 68 G HA2 -0.240 3.728 3.960 0.014 0.000 0.274 68 G HA3 -0.240 3.728 3.960 0.014 0.000 0.274 68 G C 0.751 175.688 174.900 0.062 0.000 1.413 68 G CA 1.044 46.123 45.100 -0.036 0.000 0.997 68 G HN 2.283 10.573 8.290 0.000 0.000 0.559 69 T N -1.415 113.109 114.554 -0.049 0.000 3.004 69 T HA 0.512 4.870 4.350 0.014 0.000 0.266 69 T C 0.244 174.969 174.700 0.043 0.000 0.986 69 T CA 1.037 63.182 62.100 0.075 0.000 0.902 69 T CB 0.733 69.621 68.868 0.032 0.000 1.118 69 T HN 0.601 8.841 8.240 0.000 0.000 0.522 70 E N 0.903 120.958 120.200 -0.242 0.000 2.199 70 E HA 0.593 4.951 4.350 0.014 0.000 0.265 70 E C -1.657 174.660 176.600 -0.472 0.000 0.882 70 E CA -0.570 55.724 56.400 -0.177 0.000 0.759 70 E CB 1.971 31.597 29.700 -0.123 0.000 1.148 70 E HN 0.304 8.664 8.360 0.000 0.000 0.412 71 F N 0.140 120.166 119.950 0.126 0.000 2.599 71 F HA 0.460 4.994 4.527 0.012 0.000 0.311 71 F C 0.114 176.102 175.800 0.314 0.000 1.076 71 F CA -0.567 57.564 58.000 0.218 0.000 0.937 71 F CB 2.586 41.728 39.000 0.236 0.000 1.282 71 F HN 0.077 8.377 8.300 0.000 0.000 0.460 72 T N 2.889 117.721 114.554 0.463 0.000 2.971 72 T HA 0.495 4.853 4.350 0.014 0.000 0.304 72 T C -1.758 172.900 174.700 -0.070 0.000 1.038 72 T CA -0.456 61.754 62.100 0.183 0.000 1.007 72 T CB 1.719 70.616 68.868 0.048 0.000 1.055 72 T HN 0.492 8.732 8.240 0.000 0.000 0.451 73 L N 3.251 124.138 121.223 -0.560 0.000 2.296 73 L HA 0.755 5.103 4.340 0.014 0.000 0.286 73 L C -0.431 176.146 176.870 -0.488 0.000 1.023 73 L CA 0.211 54.525 54.840 -0.877 0.000 0.812 73 L CB 1.477 42.459 42.059 -1.795 0.000 1.223 73 L HN 0.607 8.837 8.230 0.000 0.000 0.421 74 T N 5.994 120.344 114.554 -0.341 0.000 2.823 74 T HA 0.629 4.987 4.350 0.014 0.000 0.279 74 T C -0.585 173.920 174.700 -0.324 0.000 0.998 74 T CA -0.114 61.820 62.100 -0.277 0.000 0.994 74 T CB 1.083 69.836 68.868 -0.192 0.000 0.960 74 T HN 0.329 8.569 8.240 0.000 0.000 0.448 75 I N 2.737 123.077 120.570 -0.384 0.000 2.354 75 I HA 0.286 4.464 4.170 0.014 0.000 0.286 75 I C 0.208 176.100 176.117 -0.375 0.000 1.007 75 I CA -0.348 60.639 61.300 -0.523 0.000 1.167 75 I CB 1.426 39.035 38.000 -0.652 0.000 1.320 75 I HN 0.490 8.700 8.210 0.000 0.000 0.458 76 S N 5.000 120.503 115.700 -0.327 0.000 2.464 76 S HA 0.652 5.131 4.470 0.014 0.000 0.313 76 S C 0.576 175.041 174.600 -0.225 0.000 1.078 76 S CA -0.543 57.520 58.200 -0.227 0.000 1.096 76 S CB 0.604 63.703 63.200 -0.169 0.000 1.032 76 S HN 1.088 9.398 8.310 0.000 0.000 0.498 77 G N 3.144 111.815 108.800 -0.216 0.000 3.026 77 G HA2 -0.161 3.807 3.960 0.014 0.000 0.252 77 G HA3 -0.161 3.807 3.960 0.014 0.000 0.252 77 G C -0.377 174.375 174.900 -0.247 0.000 1.070 77 G CA -1.006 43.978 45.100 -0.193 0.000 1.183 77 G HN 0.635 8.925 8.290 0.000 0.000 0.571 78 L N 0.585 121.644 121.223 -0.273 0.000 2.578 78 L HA 0.087 4.435 4.340 0.014 0.000 0.279 78 L C 1.231 177.916 176.870 -0.308 0.000 1.227 78 L CA 0.744 55.373 54.840 -0.352 0.000 0.900 78 L CB 0.448 42.264 42.059 -0.404 0.000 1.144 78 L HN 0.573 8.803 8.230 0.000 0.000 0.496 79 Q N 2.109 121.736 119.800 -0.288 0.000 2.240 79 Q HA 0.207 4.555 4.340 0.014 0.000 0.260 79 Q C 0.500 176.416 176.000 -0.140 0.000 1.018 79 Q CA -0.690 55.015 55.803 -0.163 0.000 0.898 79 Q CB 1.205 29.921 28.738 -0.037 0.000 1.301 79 Q HN 0.483 8.753 8.270 0.000 0.000 0.469 80 F N 0.451 120.436 119.950 0.058 0.000 2.333 80 F HA -0.203 4.332 4.527 0.014 0.000 0.300 80 F C 1.758 177.678 175.800 0.199 0.000 1.083 80 F CA 1.319 59.447 58.000 0.214 0.000 1.395 80 F CB 0.249 39.359 39.000 0.183 0.000 1.056 80 F HN 0.690 8.990 8.300 0.000 0.000 0.529 81 D N -0.281 120.284 120.400 0.275 0.000 2.317 81 D HA -0.127 4.521 4.640 0.014 0.000 0.211 81 D C 1.320 177.721 176.300 0.169 0.000 0.966 81 D CA 0.901 55.026 54.000 0.208 0.000 0.876 81 D CB -0.091 40.807 40.800 0.163 0.000 0.927 81 D HN 0.106 8.476 8.370 0.000 0.000 0.519 82 D N -0.668 119.759 120.400 0.046 0.000 2.355 82 D HA -0.029 4.619 4.640 0.014 0.000 0.218 82 D C -0.132 176.183 176.300 0.025 0.000 1.004 82 D CA 0.104 54.137 54.000 0.054 0.000 0.880 82 D CB -0.209 40.531 40.800 -0.101 0.000 0.911 82 D HN 0.291 8.661 8.370 0.000 0.000 0.528 83 F N 1.247 121.328 119.950 0.217 0.000 2.494 83 F HA 0.404 4.939 4.527 0.014 0.000 0.369 83 F C 0.992 176.888 175.800 0.159 0.000 1.098 83 F CA -0.259 57.861 58.000 0.201 0.000 1.154 83 F CB 0.505 39.609 39.000 0.173 0.000 1.103 83 F HN -0.146 8.154 8.300 0.000 0.000 0.549 84 A N 2.003 124.993 122.820 0.284 0.000 2.457 84 A HA 0.717 5.045 4.320 0.014 0.000 0.305 84 A C -0.950 176.620 177.584 -0.024 0.000 1.110 84 A CA -0.869 51.196 52.037 0.046 0.000 0.616 84 A CB 0.715 19.603 19.000 -0.187 0.000 1.371 84 A HN 0.323 8.473 8.150 0.000 0.000 0.525 85 T N 0.715 115.143 114.554 -0.209 0.000 2.824 85 T HA 0.647 5.005 4.350 0.014 0.000 0.280 85 T C -1.497 172.846 174.700 -0.596 0.000 0.995 85 T CA 0.306 62.260 62.100 -0.244 0.000 1.009 85 T CB 0.407 69.147 68.868 -0.212 0.000 0.955 85 T HN 0.345 8.585 8.240 0.000 0.000 0.452 86 Y N 1.415 121.622 120.300 -0.154 0.000 2.393 86 Y HA 0.477 5.035 4.550 0.013 0.000 0.341 86 Y C 0.334 176.202 175.900 -0.052 0.000 0.988 86 Y CA -0.840 57.251 58.100 -0.015 0.000 1.078 86 Y CB 1.361 39.914 38.460 0.155 0.000 1.203 86 Y HN 0.707 8.987 8.280 0.000 0.000 0.453 87 H N 0.982 120.355 119.070 0.505 0.000 2.609 87 H HA 0.520 5.084 4.556 0.014 0.000 0.344 87 H C -0.649 174.940 175.328 0.435 0.000 1.040 87 H CA -1.093 55.199 56.048 0.406 0.000 1.216 87 H CB 1.040 30.965 29.762 0.272 0.000 1.529 87 H HN 0.868 9.148 8.280 0.000 0.000 0.519 88 c N 2.303 121.041 118.600 0.231 0.000 2.362 88 c HA 0.682 5.260 4.570 0.014 0.000 0.363 88 c C -0.205 173.913 174.090 0.047 0.000 1.220 88 c CA -0.582 55.587 56.329 -0.267 0.000 2.379 88 c CB 0.899 42.874 42.510 -0.892 0.000 2.351 88 c HN 0.889 9.119 8.230 0.000 0.000 0.582 89 Q N 0.744 120.484 119.800 -0.100 0.000 2.280 89 Q HA 0.249 4.597 4.340 0.014 0.000 0.259 89 Q C -1.494 174.449 176.000 -0.095 0.000 0.964 89 Q CA -0.166 55.549 55.803 -0.146 0.000 0.844 89 Q CB 1.268 29.922 28.738 -0.140 0.000 1.334 89 Q HN 1.068 9.338 8.270 0.000 0.000 0.423 90 H N 4.747 123.672 119.070 -0.241 0.000 2.580 90 H HA 0.318 4.878 4.556 0.008 0.000 0.322 90 H C -1.490 173.742 175.328 -0.160 0.000 1.082 90 H CA -0.170 55.743 56.048 -0.226 0.000 1.383 90 H CB 0.476 30.114 29.762 -0.206 0.000 1.450 90 H HN 0.617 8.897 8.280 0.000 0.000 0.505 91 Y N 2.579 122.556 120.300 -0.539 0.000 2.446 91 Y HA 0.732 5.291 4.550 0.016 0.000 0.345 91 Y C -1.190 174.282 175.900 -0.714 0.000 0.984 91 Y CA -1.044 56.720 58.100 -0.561 0.000 1.058 91 Y CB 1.108 39.403 38.460 -0.276 0.000 1.220 91 Y HN 0.664 8.944 8.280 0.000 0.000 0.455 92 A N 1.702 124.194 122.820 -0.548 0.000 2.387 92 A HA 0.691 5.019 4.320 0.014 0.000 0.298 92 A C 1.255 178.573 177.584 -0.442 0.000 1.165 92 A CA -0.529 51.192 52.037 -0.528 0.000 0.814 92 A CB 0.679 19.434 19.000 -0.409 0.000 1.357 92 A HN 1.209 9.359 8.150 0.000 0.000 0.443 93 G N -1.298 107.169 108.800 -0.555 0.000 2.469 93 G HA2 -0.139 3.829 3.960 0.014 0.000 0.219 93 G HA3 -0.139 3.829 3.960 0.014 0.000 0.219 93 G C 0.549 174.759 174.900 -1.149 0.000 1.150 93 G CA 1.861 46.428 45.100 -0.889 0.000 0.763 93 G HN 0.687 8.977 8.290 0.000 0.000 0.561 94 Y N 0.075 120.302 120.300 -0.122 0.000 2.738 94 Y HA 0.417 4.966 4.550 -0.000 0.000 0.249 94 Y C 0.688 176.532 175.900 -0.093 0.000 1.157 94 Y CA -0.169 57.875 58.100 -0.093 0.000 1.189 94 Y CB 0.461 38.878 38.460 -0.072 0.000 1.262 94 Y HN 0.316 8.596 8.280 0.000 0.000 0.554 95 S N -0.263 115.394 115.700 -0.071 0.000 2.724 95 S HA 0.938 5.416 4.470 0.014 0.000 0.278 95 S C -1.002 173.486 174.600 -0.187 0.000 1.190 95 S CA -0.524 57.624 58.200 -0.088 0.000 0.860 95 S CB 1.746 64.912 63.200 -0.057 0.000 1.206 95 S HN 0.320 8.630 8.310 0.000 0.000 0.507 96 A N -0.182 122.521 122.820 -0.195 0.000 2.610 96 A HA 0.906 5.234 4.320 0.014 0.000 0.291 96 A C -0.792 176.626 177.584 -0.276 0.000 1.086 96 A CA -0.209 51.640 52.037 -0.313 0.000 0.677 96 A CB 1.265 20.028 19.000 -0.395 0.000 1.278 96 A HN 1.705 9.855 8.150 0.000 0.000 0.414 97 T N 0.144 114.493 114.554 -0.341 0.000 3.032 97 T HA 0.657 5.016 4.350 0.014 0.000 0.312 97 T C -1.607 172.931 174.700 -0.270 0.000 1.078 97 T CA -0.243 61.741 62.100 -0.193 0.000 1.028 97 T CB 0.195 69.043 68.868 -0.033 0.000 1.091 97 T HN 0.489 8.729 8.240 0.000 0.000 0.457 98 F N 2.328 122.274 119.950 -0.007 0.000 2.425 98 F HA 0.683 5.221 4.527 0.018 0.000 0.331 98 F C 1.404 177.218 175.800 0.023 0.000 1.085 98 F CA -0.372 57.626 58.000 -0.003 0.000 1.028 98 F CB 1.600 40.574 39.000 -0.043 0.000 1.177 98 F HN 0.769 9.069 8.300 0.000 0.000 0.487 99 G N 0.558 109.506 108.800 0.247 0.000 2.563 99 G HA2 0.269 4.237 3.960 0.014 0.000 0.283 99 G HA3 0.269 4.237 3.960 0.014 0.000 0.283 99 G C 0.036 175.065 174.900 0.216 0.000 1.309 99 G CA -0.452 44.758 45.100 0.183 0.000 1.022 99 G HN 0.613 8.903 8.290 0.000 0.000 0.501 100 Q N -0.498 119.410 119.800 0.179 0.000 2.482 100 Q HA 0.338 4.686 4.340 0.014 0.000 0.209 100 Q C 1.161 177.288 176.000 0.211 0.000 0.961 100 Q CA 0.656 56.557 55.803 0.163 0.000 0.945 100 Q CB -0.130 28.682 28.738 0.122 0.000 1.012 100 Q HN 1.235 9.505 8.270 0.000 0.000 0.515 101 G N -0.366 108.601 108.800 0.279 0.000 2.722 101 G HA2 -0.145 3.823 3.960 0.014 0.000 0.686 101 G HA3 -0.145 3.823 3.960 0.014 0.000 0.686 101 G C -0.603 174.404 174.900 0.178 0.000 1.282 101 G CA -0.459 44.797 45.100 0.260 0.000 0.817 101 G HN 0.053 8.343 8.290 0.000 0.000 0.605 102 T N 1.970 116.624 114.554 0.166 0.000 2.809 102 T HA 0.562 4.921 4.350 0.014 0.000 0.284 102 T C 0.509 175.309 174.700 0.166 0.000 0.992 102 T CA -0.599 61.608 62.100 0.178 0.000 0.957 102 T CB 1.426 70.428 68.868 0.223 0.000 0.942 102 T HN 0.719 8.959 8.240 0.000 0.000 0.439 103 R N 3.052 123.638 120.500 0.144 0.000 2.202 103 R HA 0.493 4.842 4.340 0.014 0.000 0.334 103 R C -0.944 175.484 176.300 0.213 0.000 1.036 103 R CA -0.370 55.823 56.100 0.155 0.000 0.878 103 R CB 0.365 30.736 30.300 0.117 0.000 1.067 103 R HN 0.399 8.669 8.270 0.000 0.000 0.457 104 V N 6.032 126.122 119.914 0.294 0.000 2.364 104 V HA 0.173 4.301 4.120 0.014 0.000 0.272 104 V C 0.037 176.406 176.094 0.459 0.000 1.036 104 V CA -0.308 62.203 62.300 0.351 0.000 0.880 104 V CB 0.937 32.978 31.823 0.364 0.000 0.991 104 V HN 0.860 9.050 8.190 0.000 0.000 0.460 105 E N 4.925 125.356 120.200 0.385 0.000 2.299 105 E HA 0.709 5.067 4.350 0.014 0.000 0.260 105 E C -0.951 175.700 176.600 0.084 0.000 0.944 105 E CA -1.167 55.400 56.400 0.278 0.000 0.815 105 E CB 1.987 31.868 29.700 0.301 0.000 1.252 105 E HN 0.422 8.782 8.360 0.000 0.000 0.418 106 I N 1.515 121.905 120.570 -0.300 0.000 2.471 106 I HA 0.097 4.275 4.170 0.014 0.000 0.286 106 I C 0.475 176.519 176.117 -0.122 0.000 1.079 106 I CA -0.177 60.860 61.300 -0.439 0.000 1.398 106 I CB 0.608 38.262 38.000 -0.577 0.000 1.403 106 I HN 0.454 8.664 8.210 0.000 0.000 0.530 107 K N 7.037 127.396 120.400 -0.070 0.000 2.298 107 K HA 0.501 4.829 4.320 0.014 0.000 0.280 107 K C -0.312 176.123 176.600 -0.276 0.000 1.032 107 K CA -0.437 55.816 56.287 -0.057 0.000 0.958 107 K CB 0.724 33.239 32.500 0.026 0.000 0.978 107 K HN 0.721 8.971 8.250 0.000 0.000 0.472 108 R N 0.200 120.384 120.500 -0.527 0.000 2.747 108 R HA 0.263 4.611 4.340 0.014 0.000 0.272 108 R C -1.229 174.865 176.300 -0.344 0.000 1.032 108 R CA -0.766 55.047 56.100 -0.479 0.000 0.896 108 R CB -0.023 29.909 30.300 -0.614 0.000 1.253 108 R HN 0.593 8.863 8.270 0.000 0.000 0.461 109 T N -0.804 113.651 114.554 -0.165 0.000 2.903 109 T HA 0.280 4.638 4.350 0.014 0.000 0.314 109 T C 0.506 175.269 174.700 0.105 0.000 1.078 109 T CA -0.715 61.379 62.100 -0.011 0.000 1.114 109 T CB 0.685 69.557 68.868 0.006 0.000 0.987 109 T HN 0.373 8.613 8.240 0.000 0.000 0.548 110 V N 1.961 122.004 119.914 0.214 0.000 2.655 110 V HA 0.459 4.587 4.120 0.014 0.000 0.300 110 V C 0.676 176.928 176.094 0.263 0.000 1.044 110 V CA 0.229 62.723 62.300 0.323 0.000 1.095 110 V CB 0.220 32.174 31.823 0.219 0.000 0.952 110 V HN 1.258 9.448 8.190 0.000 0.000 0.485 111 A N 4.906 127.931 122.820 0.343 0.000 2.375 111 A HA 0.826 5.154 4.320 0.014 0.000 0.295 111 A C -0.094 177.640 177.584 0.250 0.000 1.066 111 A CA -0.187 51.996 52.037 0.242 0.000 0.722 111 A CB 1.287 20.401 19.000 0.189 0.000 1.206 111 A HN 1.270 9.420 8.150 0.000 0.000 0.435 112 A N 4.151 127.073 122.820 0.170 0.000 2.407 112 A HA 0.710 5.038 4.320 0.014 0.000 0.248 112 A C -2.183 175.403 177.584 0.004 0.000 1.082 112 A CA -1.217 50.869 52.037 0.082 0.000 0.785 112 A CB -0.341 18.713 19.000 0.090 0.000 1.020 112 A HN 0.607 8.757 8.150 0.000 0.000 0.489 113 P HA 0.176 4.596 4.420 0.000 0.000 0.272 113 P C -0.358 176.946 177.300 0.007 0.000 1.223 113 P CA -0.100 62.996 63.100 -0.007 0.000 0.784 113 P CB 0.804 32.379 31.700 -0.209 0.000 0.923 114 S N 0.494 116.249 115.700 0.092 0.000 2.554 114 S HA 0.393 4.871 4.470 0.014 0.000 0.278 114 S C -0.109 174.490 174.600 -0.001 0.000 1.242 114 S CA -0.541 57.687 58.200 0.047 0.000 1.051 114 S CB 0.568 63.921 63.200 0.255 0.000 0.986 114 S HN 0.193 8.503 8.310 0.000 0.000 0.502 115 V N 4.236 123.966 119.914 -0.307 0.000 2.495 115 V HA 0.577 4.706 4.120 0.014 0.000 0.298 115 V C -1.131 174.628 176.094 -0.559 0.000 1.031 115 V CA -0.566 61.576 62.300 -0.263 0.000 0.871 115 V CB 0.996 32.681 31.823 -0.231 0.000 0.988 115 V HN 0.785 8.975 8.190 0.000 0.000 0.432 116 F N 4.526 124.396 119.950 -0.133 0.000 2.556 116 F HA 0.603 5.138 4.527 0.013 0.000 0.314 116 F C -0.247 175.281 175.800 -0.452 0.000 1.106 116 F CA -0.681 57.137 58.000 -0.302 0.000 0.911 116 F CB 1.950 40.767 39.000 -0.305 0.000 1.190 116 F HN 0.216 8.516 8.300 0.000 0.000 0.448 117 I N 4.284 124.646 120.570 -0.347 0.000 2.389 117 I HA 0.433 4.611 4.170 0.014 0.000 0.288 117 I C -1.478 174.440 176.117 -0.331 0.000 0.999 117 I CA -0.883 60.310 61.300 -0.178 0.000 1.129 117 I CB 1.089 39.140 38.000 0.086 0.000 1.288 117 I HN 0.404 8.614 8.210 0.000 0.000 0.444 118 F N 8.367 128.442 119.950 0.208 0.000 2.467 118 F HA 0.527 5.062 4.527 0.013 0.000 0.336 118 F C -2.025 173.718 175.800 -0.096 0.000 1.123 118 F CA -2.448 55.573 58.000 0.034 0.000 0.964 118 F CB 1.034 40.052 39.000 0.030 0.000 1.136 118 F HN 0.284 8.584 8.300 0.000 0.000 0.447 119 P HA 0.124 4.544 4.420 0.000 0.000 0.271 119 P C -2.513 174.671 177.300 -0.192 0.000 1.233 119 P CA -1.119 61.668 63.100 -0.521 0.000 0.789 119 P CB -0.063 31.156 31.700 -0.802 0.000 0.951 120 P HA 0.049 4.469 4.420 0.000 0.000 0.274 120 P C -0.036 177.169 177.300 -0.158 0.000 1.237 120 P CA -0.050 62.922 63.100 -0.213 0.000 0.793 120 P CB 0.352 31.823 31.700 -0.382 0.000 0.977 121 S N 0.188 115.815 115.700 -0.122 0.000 2.632 121 S HA 0.150 4.629 4.470 0.014 0.000 0.267 121 S C 0.732 175.289 174.600 -0.071 0.000 1.276 121 S CA -0.388 57.762 58.200 -0.084 0.000 0.998 121 S CB 0.278 63.435 63.200 -0.072 0.000 0.953 121 S HN 0.325 8.635 8.310 0.000 0.000 0.547 122 D N 0.914 121.289 120.400 -0.042 0.000 2.149 122 D HA -0.049 4.599 4.640 0.014 0.000 0.201 122 D C 1.779 178.063 176.300 -0.028 0.000 0.972 122 D CA 1.317 55.304 54.000 -0.023 0.000 0.835 122 D CB -0.420 40.376 40.800 -0.007 0.000 0.966 122 D HN 0.786 9.156 8.370 0.000 0.000 0.476 123 E N 0.748 120.927 120.200 -0.034 0.000 2.049 123 E HA -0.261 4.097 4.350 0.014 0.000 0.198 123 E C 2.069 178.644 176.600 -0.041 0.000 1.007 123 E CA 1.156 57.536 56.400 -0.034 0.000 0.809 123 E CB -0.138 29.539 29.700 -0.037 0.000 0.749 123 E HN 0.320 8.680 8.360 0.000 0.000 0.450 124 Q N 0.419 120.185 119.800 -0.057 0.000 2.083 124 Q HA -0.154 4.194 4.340 0.014 0.000 0.198 124 Q C 2.317 178.275 176.000 -0.070 0.000 0.969 124 Q CA 0.607 56.370 55.803 -0.067 0.000 0.838 124 Q CB 0.012 28.697 28.738 -0.088 0.000 0.900 124 Q HN 0.183 8.453 8.270 0.000 0.000 0.436 125 L N 1.762 122.937 121.223 -0.080 0.000 1.990 125 L HA -0.258 4.090 4.340 0.014 0.000 0.213 125 L C 2.353 179.207 176.870 -0.027 0.000 1.072 125 L CA 1.915 56.714 54.840 -0.069 0.000 0.755 125 L CB -0.648 41.384 42.059 -0.044 0.000 0.889 125 L HN 0.133 8.363 8.230 0.000 0.000 0.432 126 K N -0.366 120.025 120.400 -0.017 0.000 2.071 126 K HA -0.243 4.085 4.320 0.014 0.000 0.217 126 K C 1.971 178.565 176.600 -0.010 0.000 1.054 126 K CA 2.102 58.385 56.287 -0.007 0.000 0.937 126 K CB -0.618 31.876 32.500 -0.010 0.000 0.719 126 K HN 0.627 8.877 8.250 0.000 0.000 0.454 127 S N -1.230 114.459 115.700 -0.019 0.000 2.660 127 S HA 0.104 4.582 4.470 0.014 0.000 0.223 127 S C 1.104 175.693 174.600 -0.018 0.000 0.963 127 S CA 0.883 59.072 58.200 -0.018 0.000 0.932 127 S CB 0.243 63.429 63.200 -0.023 0.000 0.775 127 S HN 0.500 8.810 8.310 0.000 0.000 0.531 128 G N 0.346 109.136 108.800 -0.018 0.000 2.179 128 G HA2 -0.175 3.793 3.960 0.014 0.000 0.220 128 G HA3 -0.175 3.793 3.960 0.014 0.000 0.220 128 G C 0.102 174.990 174.900 -0.020 0.000 0.990 128 G CA 0.010 45.104 45.100 -0.010 0.000 0.646 128 G HN 1.313 9.603 8.290 0.000 0.000 0.517 129 T N -1.943 112.583 114.554 -0.048 0.000 2.893 129 T HA 0.857 5.215 4.350 0.014 0.000 0.293 129 T C -0.390 174.226 174.700 -0.140 0.000 1.027 129 T CA 0.209 62.267 62.100 -0.072 0.000 0.988 129 T CB 2.417 71.248 68.868 -0.061 0.000 1.043 129 T HN 1.736 9.976 8.240 0.000 0.000 0.461 130 A N 2.040 124.735 122.820 -0.209 0.000 2.304 130 A HA 0.735 5.063 4.320 0.014 0.000 0.314 130 A C -0.053 177.356 177.584 -0.292 0.000 1.187 130 A CA -0.804 50.998 52.037 -0.391 0.000 0.810 130 A CB 0.971 19.460 19.000 -0.851 0.000 1.183 130 A HN 0.788 8.938 8.150 0.000 0.000 0.487 131 S N 1.076 116.632 115.700 -0.239 0.000 2.437 131 S HA 0.526 5.004 4.470 0.014 0.000 0.305 131 S C -0.280 174.227 174.600 -0.155 0.000 1.109 131 S CA -0.546 57.553 58.200 -0.168 0.000 1.099 131 S CB 1.383 64.522 63.200 -0.101 0.000 1.004 131 S HN 1.245 9.555 8.310 0.000 0.000 0.475 132 V N 4.653 124.480 119.914 -0.144 0.000 2.513 132 V HA 0.759 4.888 4.120 0.014 0.000 0.299 132 V C -0.861 175.340 176.094 0.178 0.000 1.035 132 V CA -0.414 61.894 62.300 0.013 0.000 0.889 132 V CB 1.525 33.410 31.823 0.103 0.000 0.988 132 V HN 0.613 8.803 8.190 0.000 0.000 0.440 133 V N 5.919 126.080 119.914 0.412 0.000 2.495 133 V HA 0.460 4.588 4.120 0.014 0.000 0.298 133 V C -0.002 176.480 176.094 0.647 0.000 1.031 133 V CA -0.555 62.067 62.300 0.538 0.000 0.871 133 V CB 1.408 33.488 31.823 0.428 0.000 0.988 133 V HN 1.069 9.259 8.190 0.000 0.000 0.432 134 c N 6.360 125.305 118.600 0.575 0.000 2.329 134 c HA 0.768 5.347 4.570 0.014 0.000 0.329 134 c C -0.325 173.919 174.090 0.257 0.000 1.275 134 c CA -0.493 55.978 56.329 0.236 0.000 1.726 134 c CB 0.407 42.853 42.510 -0.107 0.000 2.291 134 c HN 0.817 9.047 8.230 0.000 0.000 0.514 135 L N 6.666 128.039 121.223 0.249 0.000 2.313 135 L HA 0.730 5.079 4.340 0.014 0.000 0.283 135 L C -1.155 175.855 176.870 0.233 0.000 1.013 135 L CA -0.118 54.899 54.840 0.295 0.000 0.816 135 L CB 1.287 43.600 42.059 0.424 0.000 1.236 135 L HN 0.559 8.789 8.230 0.000 0.000 0.419 136 L N 5.324 126.675 121.223 0.213 0.000 2.294 136 L HA 0.513 4.861 4.340 0.014 0.000 0.283 136 L C -0.415 176.687 176.870 0.388 0.000 1.015 136 L CA -0.036 54.921 54.840 0.195 0.000 0.831 136 L CB 1.011 43.074 42.059 0.008 0.000 1.217 136 L HN 0.603 8.833 8.230 0.000 0.000 0.420 137 N N 3.370 122.283 118.700 0.355 0.000 2.408 137 N HA 0.331 5.079 4.740 0.014 0.000 0.280 137 N C -0.547 175.125 175.510 0.270 0.000 1.002 137 N CA -0.211 53.019 53.050 0.301 0.000 0.907 137 N CB 0.727 39.372 38.487 0.264 0.000 1.161 137 N HN 0.389 8.769 8.380 0.000 0.000 0.488 138 N N 1.780 120.561 118.700 0.135 0.000 2.708 138 N HA -0.219 4.529 4.740 0.014 0.000 0.255 138 N C -1.233 174.334 175.510 0.096 0.000 1.046 138 N CA 0.794 53.866 53.050 0.037 0.000 0.715 138 N CB -1.651 36.870 38.487 0.057 0.000 0.895 138 N HN 0.471 8.851 8.380 0.000 0.000 0.545 139 F N -1.278 118.714 119.950 0.069 0.000 2.523 139 F HA 0.816 5.351 4.527 0.013 0.000 0.329 139 F C -0.196 175.759 175.800 0.258 0.000 1.061 139 F CA -1.380 56.632 58.000 0.020 0.000 0.967 139 F CB 1.239 40.057 39.000 -0.303 0.000 1.218 139 F HN 0.051 8.351 8.300 0.000 0.000 0.480 140 Y N 2.534 123.053 120.300 0.365 0.000 2.513 140 Y HA 0.576 5.134 4.550 0.014 0.000 0.340 140 Y C -2.919 173.292 175.900 0.520 0.000 1.055 140 Y CA -2.427 55.916 58.100 0.406 0.000 1.020 140 Y CB 2.632 41.213 38.460 0.202 0.000 1.301 140 Y HN 0.481 8.761 8.280 0.000 0.000 0.453 141 P HA 0.216 4.636 4.420 0.000 0.000 0.297 141 P C -0.025 177.298 177.300 0.039 0.000 1.303 141 P CA -0.091 62.608 63.100 -0.668 0.000 0.753 141 P CB 1.135 32.441 31.700 -0.657 0.000 1.281 142 R N -0.279 120.087 120.500 -0.224 0.000 2.148 142 R HA -0.061 4.288 4.340 0.014 0.000 0.227 142 R C 0.535 176.886 176.300 0.085 0.000 1.103 142 R CA 0.867 56.780 56.100 -0.310 0.000 0.983 142 R CB -0.081 29.718 30.300 -0.835 0.000 0.874 142 R HN 0.486 8.756 8.270 0.000 0.000 0.451 143 E N 1.068 121.274 120.200 0.009 0.000 2.166 143 E HA 0.275 4.633 4.350 0.014 0.000 0.279 143 E C -1.000 175.615 176.600 0.025 0.000 1.095 143 E CA 0.023 56.416 56.400 -0.012 0.000 0.888 143 E CB 1.305 30.965 29.700 -0.068 0.000 1.041 143 E HN 0.237 8.597 8.360 0.000 0.000 0.414 144 A N 3.566 126.387 122.820 0.001 0.000 2.475 144 A HA 0.574 4.902 4.320 0.014 0.000 0.301 144 A C -0.741 176.791 177.584 -0.086 0.000 1.059 144 A CA -0.980 51.011 52.037 -0.076 0.000 0.710 144 A CB 1.666 20.456 19.000 -0.349 0.000 1.288 144 A HN 0.492 8.642 8.150 0.000 0.000 0.408 145 K N 1.339 121.682 120.400 -0.096 0.000 2.323 145 K HA 0.658 4.986 4.320 0.014 0.000 0.259 145 K C -1.712 174.817 176.600 -0.118 0.000 0.947 145 K CA -0.367 55.871 56.287 -0.082 0.000 0.819 145 K CB 1.670 34.132 32.500 -0.063 0.000 1.109 145 K HN 0.451 8.701 8.250 0.000 0.000 0.429 146 V N 4.609 124.453 119.914 -0.117 0.000 2.444 146 V HA 0.346 4.474 4.120 0.014 0.000 0.294 146 V C -0.703 175.292 176.094 -0.166 0.000 1.022 146 V CA -0.817 61.372 62.300 -0.185 0.000 0.850 146 V CB 1.386 33.084 31.823 -0.207 0.000 0.992 146 V HN 0.802 8.992 8.190 0.000 0.000 0.426 147 Q N 2.907 122.586 119.800 -0.201 0.000 2.342 147 Q HA 0.471 4.819 4.340 0.014 0.000 0.267 147 Q C -1.552 174.337 176.000 -0.184 0.000 1.038 147 Q CA -0.521 55.213 55.803 -0.115 0.000 0.832 147 Q CB 2.940 31.642 28.738 -0.060 0.000 1.323 147 Q HN 0.727 8.997 8.270 0.000 0.000 0.448 148 W N 1.822 123.124 121.300 0.004 0.000 2.433 148 W HA 0.396 5.064 4.660 0.013 0.000 0.315 148 W C -0.123 176.380 176.519 -0.027 0.000 1.087 148 W CA -0.452 56.900 57.345 0.011 0.000 1.205 148 W CB 1.321 30.809 29.460 0.047 0.000 1.288 148 W HN 0.235 8.415 8.180 0.000 0.000 0.504 149 K N 2.462 122.982 120.400 0.200 0.000 2.426 149 K HA 0.536 4.865 4.320 0.014 0.000 0.254 149 K C -1.261 175.306 176.600 -0.054 0.000 0.936 149 K CA -0.865 55.443 56.287 0.036 0.000 0.801 149 K CB 2.228 34.713 32.500 -0.026 0.000 1.139 149 K HN 0.139 8.389 8.250 0.000 0.000 0.424 150 V N 3.567 123.375 119.914 -0.177 0.000 2.347 150 V HA 0.082 4.210 4.120 0.014 0.000 0.280 150 V C -0.218 175.615 176.094 -0.436 0.000 1.021 150 V CA -0.539 61.502 62.300 -0.432 0.000 0.847 150 V CB 1.212 32.745 31.823 -0.483 0.000 0.990 150 V HN 0.859 9.049 8.190 0.000 0.000 0.444 151 D N 4.536 124.690 120.400 -0.410 0.000 2.692 151 D HA -0.228 4.420 4.640 0.014 0.000 0.233 151 D C 1.006 177.184 176.300 -0.203 0.000 1.172 151 D CA 1.478 55.310 54.000 -0.279 0.000 0.636 151 D CB -0.828 39.796 40.800 -0.293 0.000 1.028 151 D HN 0.921 9.291 8.370 0.000 0.000 0.419 152 N N -2.428 116.172 118.700 -0.166 0.000 2.965 152 N HA -0.229 4.519 4.740 0.014 0.000 0.232 152 N C -0.484 174.963 175.510 -0.106 0.000 0.913 152 N CA 1.380 54.362 53.050 -0.114 0.000 0.981 152 N CB -0.930 37.504 38.487 -0.089 0.000 1.077 152 N HN 0.545 8.925 8.380 0.000 0.000 0.589 153 A N 0.430 123.166 122.820 -0.140 0.000 2.271 153 A HA 0.623 4.951 4.320 0.014 0.000 0.317 153 A C -0.012 177.529 177.584 -0.072 0.000 1.245 153 A CA -0.516 51.454 52.037 -0.112 0.000 0.857 153 A CB 0.728 19.636 19.000 -0.152 0.000 1.175 153 A HN 0.342 8.492 8.150 0.000 0.000 0.512 154 L N 2.656 123.858 121.223 -0.035 0.000 2.534 154 L HA 0.098 4.446 4.340 0.014 0.000 0.271 154 L C 0.233 177.115 176.870 0.021 0.000 1.178 154 L CA 0.800 55.643 54.840 0.004 0.000 0.907 154 L CB 0.174 42.236 42.059 0.004 0.000 1.164 154 L HN 0.672 8.902 8.230 0.000 0.000 0.482 155 Q N 3.482 123.324 119.800 0.070 0.000 2.260 155 Q HA 0.594 4.942 4.340 0.014 0.000 0.242 155 Q C -0.470 175.581 176.000 0.084 0.000 0.932 155 Q CA -0.202 55.646 55.803 0.075 0.000 0.891 155 Q CB 1.592 30.396 28.738 0.109 0.000 1.222 155 Q HN 0.780 9.050 8.270 0.000 0.000 0.453 156 S N -2.013 113.722 115.700 0.058 0.000 2.535 156 S HA 0.653 5.131 4.470 0.014 0.000 0.272 156 S C 0.387 175.012 174.600 0.042 0.000 1.149 156 S CA -0.163 58.073 58.200 0.059 0.000 0.888 156 S CB 1.651 64.878 63.200 0.045 0.000 1.110 156 S HN 0.921 9.231 8.310 0.000 0.000 0.463 157 G N 2.353 111.180 108.800 0.044 0.000 2.217 157 G HA2 -0.290 3.678 3.960 0.014 0.000 0.246 157 G HA3 -0.290 3.678 3.960 0.014 0.000 0.246 157 G C 0.221 175.134 174.900 0.023 0.000 0.990 157 G CA 0.380 45.499 45.100 0.032 0.000 0.627 157 G HN 1.512 9.802 8.290 0.000 0.000 0.522 158 N N 0.206 118.916 118.700 0.017 0.000 2.282 158 N HA 0.406 5.154 4.740 0.014 0.000 0.240 158 N C 0.119 175.603 175.510 -0.044 0.000 1.182 158 N CA 0.677 53.720 53.050 -0.011 0.000 0.874 158 N CB 0.362 38.838 38.487 -0.018 0.000 1.126 158 N HN 1.098 9.478 8.380 0.000 0.000 0.516 159 S N -1.246 114.454 115.700 0.001 0.000 2.541 159 S HA 0.559 5.037 4.470 0.014 0.000 0.271 159 S C -1.173 173.477 174.600 0.083 0.000 1.133 159 S CA -0.742 57.466 58.200 0.013 0.000 0.876 159 S CB 2.485 65.720 63.200 0.058 0.000 1.105 159 S HN 0.124 8.434 8.310 0.000 0.000 0.470 160 Q N 0.438 120.299 119.800 0.101 0.000 2.394 160 Q HA 0.530 4.878 4.340 0.014 0.000 0.273 160 Q C -1.418 174.668 176.000 0.144 0.000 1.089 160 Q CA -0.598 55.267 55.803 0.103 0.000 0.812 160 Q CB 2.638 31.416 28.738 0.067 0.000 1.353 160 Q HN 0.798 9.068 8.270 0.000 0.000 0.438 161 E N 0.463 120.738 120.200 0.126 0.000 2.212 161 E HA 0.536 4.894 4.350 0.014 0.000 0.268 161 E C -1.537 175.129 176.600 0.109 0.000 0.902 161 E CA -0.346 56.133 56.400 0.132 0.000 0.779 161 E CB 2.029 31.799 29.700 0.116 0.000 1.172 161 E HN 0.317 8.677 8.360 0.000 0.000 0.409 162 S N 2.168 117.940 115.700 0.120 0.000 2.614 162 S HA 0.493 4.971 4.470 0.014 0.000 0.288 162 S C -1.343 173.331 174.600 0.124 0.000 1.137 162 S CA -0.598 57.665 58.200 0.105 0.000 0.992 162 S CB 1.160 64.416 63.200 0.093 0.000 1.026 162 S HN 0.254 8.564 8.310 0.000 0.000 0.486 163 V N 4.036 124.020 119.914 0.116 0.000 2.628 163 V HA 0.580 4.708 4.120 0.014 0.000 0.306 163 V C 0.643 176.812 176.094 0.124 0.000 1.045 163 V CA -0.830 61.553 62.300 0.138 0.000 0.905 163 V CB 1.978 33.877 31.823 0.127 0.000 0.997 163 V HN 0.988 9.178 8.190 0.000 0.000 0.436 164 T N 0.836 115.470 114.554 0.132 0.000 2.816 164 T HA 0.422 4.780 4.350 0.014 0.000 0.282 164 T C -0.018 174.781 174.700 0.165 0.000 0.993 164 T CA -0.720 61.445 62.100 0.108 0.000 0.994 164 T CB 0.949 69.853 68.868 0.060 0.000 1.025 164 T HN 0.584 8.824 8.240 0.000 0.000 0.529 165 E N 0.508 120.772 120.200 0.107 0.000 2.369 165 E HA 0.101 4.460 4.350 0.014 0.000 0.255 165 E C 0.131 176.716 176.600 -0.026 0.000 1.172 165 E CA -0.387 56.081 56.400 0.112 0.000 0.932 165 E CB 0.475 30.216 29.700 0.069 0.000 1.040 165 E HN 0.729 9.089 8.360 0.000 0.000 0.454 166 Q N 1.414 121.129 119.800 -0.143 0.000 2.300 166 Q HA -0.067 4.281 4.340 0.014 0.000 0.280 166 Q C -0.280 175.549 176.000 -0.285 0.000 1.033 166 Q CA -0.014 55.489 55.803 -0.500 0.000 0.903 166 Q CB 0.560 29.037 28.738 -0.434 0.000 1.195 166 Q HN 0.261 8.531 8.270 0.000 0.000 0.386 167 D N 1.593 121.815 120.400 -0.297 0.000 2.424 167 D HA -0.050 4.598 4.640 0.014 0.000 0.244 167 D C 0.683 176.895 176.300 -0.145 0.000 1.134 167 D CA 0.387 54.280 54.000 -0.177 0.000 0.881 167 D CB 1.143 41.849 40.800 -0.158 0.000 1.191 167 D HN 0.698 9.068 8.370 0.000 0.000 0.445 168 S N 3.686 119.320 115.700 -0.110 0.000 2.442 168 S HA -0.121 4.357 4.470 0.014 0.000 0.236 168 S C 1.356 175.896 174.600 -0.100 0.000 1.007 168 S CA 0.682 58.819 58.200 -0.106 0.000 0.965 168 S CB 0.159 63.305 63.200 -0.091 0.000 0.773 168 S HN 0.440 8.750 8.310 0.000 0.000 0.504 169 K N 1.195 121.541 120.400 -0.089 0.000 2.244 169 K HA 0.087 4.415 4.320 0.014 0.000 0.200 169 K C 0.644 177.198 176.600 -0.075 0.000 1.052 169 K CA 1.362 57.605 56.287 -0.073 0.000 0.980 169 K CB -0.002 32.462 32.500 -0.059 0.000 0.838 169 K HN 0.687 8.937 8.250 0.000 0.000 0.481 170 D N -1.811 118.532 120.400 -0.094 0.000 2.538 170 D HA 0.077 4.726 4.640 0.014 0.000 0.241 170 D C -0.263 175.952 176.300 -0.142 0.000 1.297 170 D CA -0.111 53.831 54.000 -0.098 0.000 0.804 170 D CB 0.359 41.116 40.800 -0.072 0.000 1.122 170 D HN -0.168 8.201 8.370 0.000 0.000 0.519 171 S N -0.468 115.125 115.700 -0.179 0.000 3.445 171 S HA -0.186 4.292 4.470 0.014 0.000 0.319 171 S C 0.641 175.056 174.600 -0.309 0.000 1.209 171 S CA 1.240 59.289 58.200 -0.252 0.000 0.934 171 S CB -2.368 60.681 63.200 -0.250 0.000 0.999 171 S HN 0.866 9.176 8.310 0.000 0.000 0.582 172 T N -1.574 112.810 114.554 -0.283 0.000 2.884 172 T HA 0.744 5.102 4.350 0.014 0.000 0.277 172 T C -0.213 174.146 174.700 -0.568 0.000 0.976 172 T CA -0.659 61.271 62.100 -0.284 0.000 0.956 172 T CB 0.914 69.701 68.868 -0.135 0.000 1.113 172 T HN 0.173 8.413 8.240 0.000 0.000 0.554 173 Y N -0.794 119.264 120.300 -0.403 0.000 2.549 173 Y HA 0.650 5.208 4.550 0.014 0.000 0.339 173 Y C 0.559 176.014 175.900 -0.742 0.000 1.053 173 Y CA -0.784 56.970 58.100 -0.576 0.000 1.105 173 Y CB 2.570 40.556 38.460 -0.788 0.000 1.258 173 Y HN 0.728 9.008 8.280 0.000 0.000 0.478 174 S N 1.917 117.507 115.700 -0.184 0.000 2.599 174 S HA 0.747 5.225 4.470 0.014 0.000 0.287 174 S C -1.767 172.969 174.600 0.227 0.000 1.105 174 S CA -0.819 57.403 58.200 0.036 0.000 0.899 174 S CB 2.005 65.252 63.200 0.077 0.000 1.100 174 S HN 0.576 8.886 8.310 0.000 0.000 0.482 175 L N 1.919 123.372 121.223 0.383 0.000 2.482 175 L HA 0.752 5.100 4.340 0.014 0.000 0.263 175 L C -1.107 175.906 176.870 0.238 0.000 0.957 175 L CA -0.281 54.747 54.840 0.314 0.000 0.836 175 L CB 1.992 44.286 42.059 0.392 0.000 1.324 175 L HN 0.793 9.023 8.230 0.000 0.000 0.406 176 S N 2.101 117.919 115.700 0.197 0.000 2.482 176 S HA 0.741 5.220 4.470 0.014 0.000 0.303 176 S C -0.756 173.968 174.600 0.207 0.000 1.091 176 S CA -0.598 57.724 58.200 0.203 0.000 1.057 176 S CB 1.843 65.150 63.200 0.178 0.000 1.031 176 S HN 0.641 8.951 8.310 0.000 0.000 0.485 177 S N 1.583 117.443 115.700 0.267 0.000 2.532 177 S HA 0.704 5.182 4.470 0.014 0.000 0.299 177 S C -0.997 173.901 174.600 0.497 0.000 1.105 177 S CA -0.438 57.976 58.200 0.356 0.000 1.018 177 S CB 1.206 64.624 63.200 0.363 0.000 1.021 177 S HN 0.823 9.133 8.310 0.000 0.000 0.483 178 T N 4.849 119.604 114.554 0.334 0.000 2.809 178 T HA 0.435 4.793 4.350 0.014 0.000 0.284 178 T C -0.885 173.776 174.700 -0.066 0.000 0.992 178 T CA -0.401 61.804 62.100 0.175 0.000 0.957 178 T CB 1.065 69.992 68.868 0.098 0.000 0.942 178 T HN 0.526 8.766 8.240 0.000 0.000 0.439 179 L N 4.044 125.005 121.223 -0.437 0.000 2.264 179 L HA 0.551 4.899 4.340 0.014 0.000 0.289 179 L C -0.216 176.462 176.870 -0.321 0.000 1.044 179 L CA 0.277 54.736 54.840 -0.635 0.000 0.807 179 L CB 0.856 42.097 42.059 -1.364 0.000 1.192 179 L HN 0.572 8.802 8.230 0.000 0.000 0.425 180 T N 6.519 120.960 114.554 -0.189 0.000 2.770 180 T HA 0.692 5.051 4.350 0.014 0.000 0.283 180 T C -0.536 174.120 174.700 -0.073 0.000 0.988 180 T CA -0.242 61.787 62.100 -0.119 0.000 0.957 180 T CB 0.789 69.612 68.868 -0.075 0.000 0.930 180 T HN 0.371 8.611 8.240 0.000 0.000 0.443 181 L N 2.129 123.317 121.223 -0.057 0.000 2.333 181 L HA 0.608 4.956 4.340 0.014 0.000 0.263 181 L C 0.638 177.511 176.870 0.005 0.000 1.014 181 L CA -1.037 53.811 54.840 0.014 0.000 0.820 181 L CB 1.913 44.041 42.059 0.116 0.000 1.352 181 L HN 0.680 8.910 8.230 0.000 0.000 0.421 182 S N 0.080 115.800 115.700 0.034 0.000 2.573 182 S HA 0.087 4.565 4.470 0.014 0.000 0.277 182 S C 1.102 175.743 174.600 0.070 0.000 1.346 182 S CA -0.391 57.829 58.200 0.033 0.000 1.034 182 S CB 0.747 63.969 63.200 0.037 0.000 0.879 182 S HN 0.674 8.984 8.310 0.000 0.000 0.528 183 K N 1.791 122.222 120.400 0.052 0.000 2.097 183 K HA -0.263 4.065 4.320 0.014 0.000 0.214 183 K C 2.204 178.893 176.600 0.148 0.000 1.052 183 K CA 2.142 58.487 56.287 0.097 0.000 0.932 183 K CB -1.352 31.182 32.500 0.058 0.000 0.716 183 K HN 0.852 9.102 8.250 0.000 0.000 0.455 184 A N 1.252 124.127 122.820 0.092 0.000 1.845 184 A HA -0.199 4.129 4.320 0.014 0.000 0.215 184 A C 1.961 179.594 177.584 0.082 0.000 1.195 184 A CA 2.167 54.245 52.037 0.069 0.000 0.616 184 A CB -0.877 18.147 19.000 0.041 0.000 0.832 184 A HN 0.395 8.545 8.150 0.000 0.000 0.443 185 D N -1.733 118.728 120.400 0.101 0.000 2.133 185 D HA -0.215 4.434 4.640 0.014 0.000 0.192 185 D C 1.699 178.118 176.300 0.200 0.000 1.001 185 D CA 1.859 55.934 54.000 0.125 0.000 0.844 185 D CB -0.445 40.437 40.800 0.137 0.000 0.944 185 D HN 0.549 8.919 8.370 0.000 0.000 0.447 186 Y N 1.773 122.138 120.300 0.109 0.000 2.114 186 Y HA -0.233 4.325 4.550 0.014 0.000 0.282 186 Y C 2.002 177.995 175.900 0.155 0.000 1.165 186 Y CA 1.598 59.794 58.100 0.159 0.000 1.148 186 Y CB -0.145 38.340 38.460 0.042 0.000 0.972 186 Y HN -0.079 8.201 8.280 0.000 0.000 0.504 187 E N 0.501 120.723 120.200 0.037 0.000 2.219 187 E HA -0.212 4.146 4.350 0.014 0.000 0.198 187 E C 1.991 178.519 176.600 -0.119 0.000 0.998 187 E CA 1.270 57.629 56.400 -0.069 0.000 0.818 187 E CB -0.241 29.459 29.700 0.000 0.000 0.741 187 E HN 0.581 8.941 8.360 0.000 0.000 0.477 188 K N -0.129 120.183 120.400 -0.146 0.000 2.148 188 K HA -0.048 4.280 4.320 0.014 0.000 0.204 188 K C 0.772 177.056 176.600 -0.527 0.000 1.050 188 K CA 0.769 56.844 56.287 -0.354 0.000 0.942 188 K CB 0.105 32.313 32.500 -0.487 0.000 0.724 188 K HN 0.223 8.473 8.250 0.000 0.000 0.446 189 H N -0.747 118.298 119.070 -0.042 0.000 2.771 189 H HA 0.180 4.745 4.556 0.014 0.000 0.367 189 H C 0.686 175.976 175.328 -0.064 0.000 1.172 189 H CA -0.438 55.550 56.048 -0.100 0.000 1.186 189 H CB 2.195 31.822 29.762 -0.224 0.000 1.790 189 H HN -0.167 8.113 8.280 0.000 0.000 0.556 190 K N 0.713 121.139 120.400 0.043 0.000 2.159 190 K HA 0.091 4.420 4.320 0.014 0.000 0.210 190 K C 0.194 176.798 176.600 0.007 0.000 1.026 190 K CA 0.358 56.662 56.287 0.027 0.000 0.959 190 K CB 0.273 32.778 32.500 0.007 0.000 0.890 190 K HN 0.183 8.433 8.250 0.000 0.000 0.459 191 V N 2.618 122.458 119.914 -0.123 0.000 2.385 191 V HA 0.271 4.399 4.120 0.014 0.000 0.269 191 V C -1.614 174.268 176.094 -0.353 0.000 1.043 191 V CA -0.630 61.567 62.300 -0.171 0.000 0.906 191 V CB 0.238 31.988 31.823 -0.122 0.000 0.995 191 V HN 0.198 8.388 8.190 0.000 0.000 0.467 192 Y N 5.414 125.442 120.300 -0.453 0.000 2.331 192 Y HA 0.781 5.339 4.550 0.013 0.000 0.338 192 Y C 0.501 176.263 175.900 -0.229 0.000 0.976 192 Y CA 0.019 57.907 58.100 -0.353 0.000 1.137 192 Y CB 1.793 39.925 38.460 -0.546 0.000 1.172 192 Y HN 0.894 9.174 8.280 0.000 0.000 0.478 193 A N 1.820 124.703 122.820 0.106 0.000 2.498 193 A HA 0.722 5.051 4.320 0.014 0.000 0.298 193 A C -1.576 176.012 177.584 0.006 0.000 1.075 193 A CA -0.704 51.360 52.037 0.045 0.000 0.714 193 A CB 1.321 20.300 19.000 -0.036 0.000 1.299 193 A HN 0.793 8.943 8.150 0.000 0.000 0.407 194 c N 1.488 119.986 118.600 -0.171 0.000 2.316 194 c HA 0.669 5.247 4.570 0.014 0.000 0.324 194 c C -0.352 173.560 174.090 -0.297 0.000 1.226 194 c CA -0.354 55.705 56.329 -0.450 0.000 1.450 194 c CB -0.147 42.039 42.510 -0.539 0.000 2.123 194 c HN 0.864 9.094 8.230 0.000 0.000 0.454 195 E N 4.732 124.767 120.200 -0.274 0.000 2.151 195 E HA 0.622 4.980 4.350 0.014 0.000 0.275 195 E C -1.414 175.068 176.600 -0.195 0.000 0.936 195 E CA -0.280 56.008 56.400 -0.188 0.000 0.777 195 E CB 1.538 31.161 29.700 -0.129 0.000 1.108 195 E HN 0.563 8.923 8.360 0.000 0.000 0.401 196 V N 3.646 123.457 119.914 -0.171 0.000 2.555 196 V HA 0.382 4.510 4.120 0.014 0.000 0.302 196 V C -0.166 175.859 176.094 -0.114 0.000 1.038 196 V CA -0.661 61.540 62.300 -0.165 0.000 0.887 196 V CB 1.974 33.679 31.823 -0.197 0.000 0.991 196 V HN 0.725 8.915 8.190 0.000 0.000 0.434 197 T N 3.748 118.244 114.554 -0.097 0.000 2.792 197 T HA 0.643 5.001 4.350 0.014 0.000 0.280 197 T C -1.100 173.591 174.700 -0.016 0.000 0.990 197 T CA -0.366 61.700 62.100 -0.057 0.000 0.960 197 T CB 0.741 69.573 68.868 -0.061 0.000 0.939 197 T HN 0.898 9.138 8.240 0.000 0.000 0.439 198 H N 0.862 119.865 119.070 -0.112 0.000 3.085 198 H HA 0.275 4.839 4.556 0.014 0.000 0.356 198 H C 0.878 176.175 175.328 -0.051 0.000 1.178 198 H CA -0.576 55.410 56.048 -0.105 0.000 1.214 198 H CB 1.688 31.363 29.762 -0.146 0.000 1.881 198 H HN 0.549 8.829 8.280 0.000 0.000 0.538 199 Q N 2.606 122.110 119.800 -0.493 0.000 2.242 199 Q HA -0.140 4.209 4.340 0.014 0.000 0.211 199 Q C 1.217 177.182 176.000 -0.059 0.000 0.992 199 Q CA 2.261 57.897 55.803 -0.278 0.000 0.889 199 Q CB -0.398 28.134 28.738 -0.342 0.000 0.913 199 Q HN 0.855 9.125 8.270 0.000 0.000 0.422 200 G N -0.179 108.712 108.800 0.152 0.000 2.920 200 G HA2 0.123 4.092 3.960 0.014 0.000 0.208 200 G HA3 0.123 4.092 3.960 0.014 0.000 0.208 200 G C -0.079 174.909 174.900 0.146 0.000 1.159 200 G CA -0.248 44.992 45.100 0.232 0.000 0.784 200 G HN 0.150 8.440 8.290 0.000 0.000 0.535 201 L N 1.325 122.615 121.223 0.111 0.000 2.307 201 L HA 0.338 4.686 4.340 0.014 0.000 0.284 201 L C 1.575 178.456 176.870 0.019 0.000 1.023 201 L CA -0.436 54.434 54.840 0.050 0.000 0.810 201 L CB 1.599 43.679 42.059 0.034 0.000 1.231 201 L HN 0.121 8.351 8.230 0.000 0.000 0.423 202 S N 0.643 116.349 115.700 0.009 0.000 2.387 202 S HA 0.017 4.495 4.470 0.014 0.000 0.226 202 S C 0.677 175.271 174.600 -0.009 0.000 1.026 202 S CA 0.551 58.751 58.200 0.000 0.000 0.972 202 S CB -0.179 63.021 63.200 0.000 0.000 0.814 202 S HN 0.677 8.987 8.310 0.000 0.000 0.477 203 S N 0.838 116.529 115.700 -0.014 0.000 2.595 203 S HA 0.648 5.126 4.470 0.014 0.000 0.281 203 S C -3.402 171.180 174.600 -0.031 0.000 1.117 203 S CA -1.827 56.359 58.200 -0.023 0.000 0.873 203 S CB 1.192 64.378 63.200 -0.024 0.000 1.108 203 S HN 0.073 8.383 8.310 0.000 0.000 0.477 204 P HA 0.108 4.528 4.420 0.000 0.000 0.263 204 P C -0.827 176.435 177.300 -0.064 0.000 1.175 204 P CA -0.091 62.977 63.100 -0.054 0.000 0.761 204 P CB 0.217 31.883 31.700 -0.057 0.000 0.794 205 V N 4.144 124.009 119.914 -0.082 0.000 2.398 205 V HA 0.297 4.425 4.120 0.014 0.000 0.286 205 V C 0.475 176.500 176.094 -0.116 0.000 1.026 205 V CA -0.095 62.148 62.300 -0.094 0.000 0.868 205 V CB 1.700 33.462 31.823 -0.102 0.000 0.982 205 V HN 0.549 8.739 8.190 0.000 0.000 0.443 206 T N 5.509 120.000 114.554 -0.105 0.000 2.797 206 T HA 0.528 4.886 4.350 0.014 0.000 0.279 206 T C -0.485 174.151 174.700 -0.107 0.000 0.991 206 T CA -0.851 61.183 62.100 -0.110 0.000 0.979 206 T CB 1.234 70.051 68.868 -0.085 0.000 0.943 206 T HN 0.402 8.642 8.240 0.000 0.000 0.444 207 K N 2.418 122.749 120.400 -0.115 0.000 2.345 207 K HA 0.735 5.063 4.320 0.014 0.000 0.255 207 K C -0.331 176.260 176.600 -0.015 0.000 0.934 207 K CA -0.669 55.570 56.287 -0.081 0.000 0.801 207 K CB 2.122 34.548 32.500 -0.123 0.000 1.137 207 K HN 0.836 9.086 8.250 0.000 0.000 0.424 208 S N 1.190 116.912 115.700 0.038 0.000 2.705 208 S HA 0.847 5.325 4.470 0.014 0.000 0.280 208 S C -0.872 173.850 174.600 0.205 0.000 1.174 208 S CA -0.872 57.377 58.200 0.083 0.000 0.823 208 S CB 1.310 64.503 63.200 -0.011 0.000 1.162 208 S HN 0.500 8.810 8.310 0.000 0.000 0.487 209 F N -0.951 119.078 119.950 0.132 0.000 2.662 209 F HA 0.753 5.289 4.527 0.013 0.000 0.312 209 F C -0.956 174.939 175.800 0.158 0.000 1.113 209 F CA -1.058 57.016 58.000 0.124 0.000 0.951 209 F CB 0.629 39.705 39.000 0.126 0.000 1.344 209 F HN 0.537 8.837 8.300 0.000 0.000 0.462 210 N N 0.000 118.885 118.700 0.309 0.000 1.763 210 N HA 0.000 4.748 4.740 0.014 0.000 0.220 210 N CA 0.000 53.176 53.050 0.210 0.000 0.885 210 N CB 0.000 38.567 38.487 0.134 0.000 1.341 210 N HN 0.000 8.380 8.380 0.000 0.000 0.667