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 1hdu_1_E DATA FIRST_RESID 1 DATA SEQUENCE ARSTNTFNYA TYHTLDEIYD FMDLLVAQHP ELVSKLQIGR SYEGRPIYVL DATA SEQUENCE KFSTGGSNRP AIWIDLGIHS REWITQATGV WFAKKFTENY GQNPSFTAIL DATA SEQUENCE DSMDIFLEIV TNPNGFAFTH SENRLWRKTR SVTSSSLcVG VDANRNWDAG DATA SEQUENCE FGKAGASSSP cSETYHGKYA NSEVEVKSIV DFVKNHGNFK AFLSIHSYSQ DATA SEQUENCE LLLYPYGYTT QSIPDKTELN QVAKSAVAAL KSLYGTSYKY GSIITTIYQA DATA SEQUENCE SGGSIDWSYN QGIKYSFTFE LRDTGRYGFL LPASQIIPTA QETWLGVLTI DATA SEQUENCE MEHTVNN 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 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.635 177.584 0.085 0.000 1.274 1 A CA 0.000 52.077 52.037 0.067 0.000 0.836 1 A CB 0.000 19.017 19.000 0.028 0.000 0.831 2 R N 0.772 121.309 120.500 0.062 0.000 2.868 2 R HA 0.573 4.915 4.340 0.004 0.000 0.289 2 R C -0.820 175.502 176.300 0.038 0.000 1.443 2 R CA 0.919 57.044 56.100 0.041 0.000 1.651 2 R CB 0.486 30.800 30.300 0.022 0.000 1.242 2 R HN 1.104 9.374 8.270 -0.000 0.000 0.621 3 S N -0.618 115.117 115.700 0.058 0.000 2.928 3 S HA -0.107 4.365 4.470 0.004 0.000 0.282 3 S C 0.645 175.314 174.600 0.115 0.000 0.673 3 S CA -0.050 58.182 58.200 0.053 0.000 0.701 3 S CB -0.042 63.189 63.200 0.051 0.000 0.900 3 S HN 0.512 8.822 8.310 -0.000 0.000 0.587 4 T N 1.928 116.540 114.554 0.097 0.000 2.977 4 T HA -0.047 4.305 4.350 0.004 0.000 0.271 4 T C 1.277 176.172 174.700 0.324 0.000 1.105 4 T CA 1.447 63.674 62.100 0.211 0.000 1.116 4 T CB -0.460 68.497 68.868 0.147 0.000 0.878 4 T HN 0.555 8.795 8.240 -0.000 0.000 0.509 5 N N 0.982 119.812 118.700 0.216 0.000 2.457 5 N HA 0.017 4.759 4.740 0.004 0.000 0.180 5 N C 1.348 176.983 175.510 0.208 0.000 1.050 5 N CA 1.088 54.266 53.050 0.213 0.000 0.906 5 N CB -0.114 38.448 38.487 0.126 0.000 0.968 5 N HN 0.496 8.876 8.380 -0.000 0.000 0.445 6 T N -0.228 114.433 114.554 0.178 0.000 3.040 6 T HA 0.133 4.486 4.350 0.004 0.000 0.250 6 T C 0.313 175.081 174.700 0.113 0.000 1.058 6 T CA -0.457 61.719 62.100 0.127 0.000 0.988 6 T CB 0.080 68.997 68.868 0.083 0.000 0.993 6 T HN 0.062 8.302 8.240 -0.000 0.000 0.519 7 F N 3.681 123.600 119.950 -0.051 0.000 2.572 7 F HA 0.258 4.786 4.527 0.002 0.000 0.370 7 F C 0.546 176.133 175.800 -0.355 0.000 1.103 7 F CA -0.880 56.971 58.000 -0.247 0.000 1.286 7 F CB 0.416 39.190 39.000 -0.377 0.000 1.105 7 F HN -0.098 8.201 8.300 -0.000 0.000 0.583 8 N N 5.482 123.789 118.700 -0.656 0.000 2.439 8 N HA 0.010 4.752 4.740 0.004 0.000 0.243 8 N C -0.042 175.321 175.510 -0.244 0.000 1.088 8 N CA 0.085 52.940 53.050 -0.326 0.000 0.940 8 N CB -0.033 38.302 38.487 -0.254 0.000 1.180 8 N HN 0.594 8.974 8.380 -0.000 0.000 0.505 9 Y N 1.497 121.908 120.300 0.185 0.000 2.561 9 Y HA 0.150 4.703 4.550 0.004 0.000 0.291 9 Y C 1.833 177.775 175.900 0.069 0.000 1.141 9 Y CA 0.436 58.685 58.100 0.248 0.000 1.303 9 Y CB 0.220 38.878 38.460 0.330 0.000 1.015 9 Y HN 0.652 8.932 8.280 -0.000 0.000 0.547 10 A N -0.645 122.234 122.820 0.098 0.000 2.411 10 A HA 0.302 4.624 4.320 0.004 0.000 0.251 10 A C 0.672 178.144 177.584 -0.187 0.000 1.317 10 A CA 0.465 52.474 52.037 -0.047 0.000 0.904 10 A CB -0.327 18.659 19.000 -0.024 0.000 0.993 10 A HN 0.167 8.317 8.150 -0.000 0.000 0.504 11 T N -1.789 112.608 114.554 -0.260 0.000 2.843 11 T HA 0.545 4.897 4.350 0.004 0.000 0.302 11 T C -1.563 172.821 174.700 -0.527 0.000 1.232 11 T CA -0.421 61.438 62.100 -0.401 0.000 1.009 11 T CB 0.640 69.291 68.868 -0.361 0.000 1.254 11 T HN 0.122 8.362 8.240 -0.000 0.000 0.504 12 Y N 2.697 122.853 120.300 -0.239 0.000 2.299 12 Y HA 0.462 5.014 4.550 0.003 0.000 0.326 12 Y C 1.254 176.893 175.900 -0.436 0.000 1.164 12 Y CA -0.267 57.712 58.100 -0.202 0.000 1.234 12 Y CB 0.644 39.102 38.460 -0.004 0.000 1.219 12 Y HN 0.507 8.787 8.280 -0.000 0.000 0.497 13 H N -0.216 118.919 119.070 0.109 0.000 2.737 13 H HA 0.382 4.940 4.556 0.003 0.000 0.358 13 H C -0.119 175.160 175.328 -0.082 0.000 1.187 13 H CA -0.619 55.438 56.048 0.017 0.000 1.221 13 H CB 1.860 31.663 29.762 0.069 0.000 1.799 13 H HN 0.648 8.928 8.280 -0.000 0.000 0.568 14 T N -1.190 113.288 114.554 -0.127 0.000 2.824 14 T HA 0.087 4.439 4.350 0.004 0.000 0.277 14 T C 1.467 176.099 174.700 -0.114 0.000 0.975 14 T CA -0.863 60.880 62.100 -0.594 0.000 0.966 14 T CB 0.866 69.429 68.868 -0.508 0.000 1.054 14 T HN 0.318 8.558 8.240 -0.000 0.000 0.533 15 L N 0.374 121.498 121.223 -0.166 0.000 2.017 15 L HA -0.087 4.255 4.340 0.004 0.000 0.208 15 L C 1.827 178.594 176.870 -0.171 0.000 1.073 15 L CA 2.149 56.976 54.840 -0.021 0.000 0.745 15 L CB -1.465 40.531 42.059 -0.105 0.000 0.894 15 L HN 0.695 8.925 8.230 -0.000 0.000 0.432 16 D N 0.068 120.390 120.400 -0.130 0.000 2.123 16 D HA -0.210 4.432 4.640 0.004 0.000 0.196 16 D C 2.042 178.387 176.300 0.076 0.000 0.992 16 D CA 1.329 55.313 54.000 -0.026 0.000 0.833 16 D CB 0.031 40.821 40.800 -0.017 0.000 0.954 16 D HN 0.542 8.912 8.370 -0.000 0.000 0.455 17 E N 0.215 120.458 120.200 0.071 0.000 2.106 17 E HA -0.087 4.265 4.350 0.004 0.000 0.192 17 E C 2.350 179.071 176.600 0.201 0.000 0.984 17 E CA 0.401 56.880 56.400 0.132 0.000 0.806 17 E CB 0.048 29.820 29.700 0.120 0.000 0.750 17 E HN 0.326 8.686 8.360 -0.000 0.000 0.458 18 I N 0.205 120.897 120.570 0.203 0.000 2.286 18 I HA -0.237 3.935 4.170 0.004 0.000 0.245 18 I C 2.008 178.356 176.117 0.384 0.000 1.104 18 I CA 0.832 62.277 61.300 0.242 0.000 1.397 18 I CB -0.154 37.975 38.000 0.216 0.000 1.072 18 I HN 0.094 8.304 8.210 -0.000 0.000 0.417 19 Y N 1.102 121.492 120.300 0.150 0.000 2.224 19 Y HA -0.232 4.320 4.550 0.002 0.000 0.289 19 Y C 2.334 178.266 175.900 0.054 0.000 1.146 19 Y CA 0.826 59.004 58.100 0.131 0.000 1.182 19 Y CB -0.838 37.735 38.460 0.188 0.000 0.983 19 Y HN 0.222 8.502 8.280 -0.000 0.000 0.524 20 D N -0.875 119.666 120.400 0.235 0.000 2.144 20 D HA -0.172 4.470 4.640 0.004 0.000 0.200 20 D C 2.098 178.431 176.300 0.056 0.000 0.978 20 D CA 0.800 54.871 54.000 0.118 0.000 0.833 20 D CB -0.695 40.179 40.800 0.124 0.000 0.961 20 D HN 0.290 8.660 8.370 -0.000 0.000 0.470 21 F N 1.053 120.964 119.950 -0.065 0.000 2.126 21 F HA -0.179 4.349 4.527 0.003 0.000 0.299 21 F C 2.212 177.899 175.800 -0.187 0.000 1.096 21 F CA 1.309 59.167 58.000 -0.235 0.000 1.255 21 F CB -0.252 38.445 39.000 -0.505 0.000 0.997 21 F HN -0.141 8.159 8.300 -0.000 0.000 0.479 22 M N 0.054 119.541 119.600 -0.189 0.000 2.117 22 M HA -0.226 4.256 4.480 0.004 0.000 0.262 22 M C 1.774 177.862 176.300 -0.353 0.000 1.065 22 M CA 1.857 56.974 55.300 -0.306 0.000 1.114 22 M CB -0.598 31.883 32.600 -0.199 0.000 1.361 22 M HN 0.072 8.362 8.290 -0.000 0.000 0.408 23 D N 0.490 120.731 120.400 -0.265 0.000 2.144 23 D HA -0.087 4.555 4.640 0.004 0.000 0.200 23 D C 2.087 178.250 176.300 -0.227 0.000 0.978 23 D CA 1.196 55.059 54.000 -0.228 0.000 0.833 23 D CB -0.270 40.440 40.800 -0.151 0.000 0.961 23 D HN 0.342 8.712 8.370 -0.000 0.000 0.470 24 L N 0.089 121.161 121.223 -0.252 0.000 2.027 24 L HA -0.157 4.185 4.340 0.004 0.000 0.206 24 L C 2.463 179.158 176.870 -0.292 0.000 1.074 24 L CA 0.467 55.166 54.840 -0.236 0.000 0.745 24 L CB -0.371 41.563 42.059 -0.208 0.000 0.898 24 L HN 0.057 8.287 8.230 -0.000 0.000 0.433 25 L N -0.431 120.507 121.223 -0.474 0.000 2.012 25 L HA -0.198 4.144 4.340 0.004 0.000 0.210 25 L C 2.404 179.150 176.870 -0.206 0.000 1.073 25 L CA 1.633 56.248 54.840 -0.376 0.000 0.748 25 L CB -0.368 41.335 42.059 -0.594 0.000 0.891 25 L HN -0.065 8.165 8.230 -0.000 0.000 0.431 26 V N -0.288 119.474 119.914 -0.253 0.000 2.343 26 V HA -0.289 3.833 4.120 0.004 0.000 0.247 26 V C 2.705 178.705 176.094 -0.156 0.000 1.051 26 V CA 1.591 63.770 62.300 -0.202 0.000 1.036 26 V CB -1.256 30.433 31.823 -0.224 0.000 0.654 26 V HN 0.596 8.786 8.190 -0.000 0.000 0.451 27 A N -0.935 121.787 122.820 -0.163 0.000 2.015 27 A HA -0.237 4.085 4.320 0.004 0.000 0.219 27 A C 2.150 179.640 177.584 -0.157 0.000 1.163 27 A CA 1.649 53.602 52.037 -0.139 0.000 0.646 27 A CB -0.327 18.597 19.000 -0.126 0.000 0.806 27 A HN 0.655 8.805 8.150 -0.000 0.000 0.448 28 Q N -1.420 118.261 119.800 -0.199 0.000 2.302 28 Q HA 0.033 4.375 4.340 0.004 0.000 0.202 28 Q C -0.098 175.570 176.000 -0.555 0.000 0.936 28 Q CA 0.656 56.254 55.803 -0.342 0.000 0.886 28 Q CB 0.256 28.782 28.738 -0.354 0.000 0.986 28 Q HN 0.755 9.025 8.270 -0.000 0.000 0.487 29 H N -0.936 118.077 119.070 -0.095 0.000 2.439 29 H HA 0.190 4.748 4.556 0.003 0.000 0.230 29 H C -2.075 173.193 175.328 -0.100 0.000 1.420 29 H CA -1.660 54.344 56.048 -0.073 0.000 1.305 29 H CB 1.110 30.842 29.762 -0.050 0.000 1.667 29 H HN 0.098 8.378 8.280 -0.000 0.000 0.515 30 P HA -0.153 4.267 4.420 -0.000 0.000 0.216 30 P C 1.401 178.672 177.300 -0.049 0.000 1.150 30 P CA 1.194 64.259 63.100 -0.058 0.000 0.837 30 P CB 0.554 32.217 31.700 -0.061 0.000 0.786 31 E N -1.594 118.593 120.200 -0.022 0.000 2.502 31 E HA 0.008 4.360 4.350 0.004 0.000 0.194 31 E C 1.491 178.060 176.600 -0.051 0.000 1.062 31 E CA 0.379 56.764 56.400 -0.026 0.000 0.867 31 E CB -0.229 29.471 29.700 0.001 0.000 0.888 31 E HN 0.261 8.621 8.360 -0.000 0.000 0.510 32 L N -0.838 120.353 121.223 -0.053 0.000 2.624 32 L HA 0.254 4.596 4.340 0.004 0.000 0.222 32 L C 0.174 176.933 176.870 -0.186 0.000 1.046 32 L CA 0.263 55.042 54.840 -0.103 0.000 0.872 32 L CB 1.125 43.157 42.059 -0.044 0.000 1.190 32 L HN -0.145 8.085 8.230 -0.000 0.000 0.487 33 V N 0.361 120.136 119.914 -0.232 0.000 2.735 33 V HA 0.815 4.937 4.120 0.004 0.000 0.310 33 V C -1.018 174.885 176.094 -0.317 0.000 1.061 33 V CA 0.162 62.194 62.300 -0.447 0.000 0.913 33 V CB 2.133 33.524 31.823 -0.721 0.000 1.005 33 V HN 0.407 8.597 8.190 -0.000 0.000 0.428 34 S N 4.894 120.400 115.700 -0.322 0.000 2.569 34 S HA 0.646 5.118 4.470 0.004 0.000 0.280 34 S C -1.027 173.451 174.600 -0.204 0.000 1.111 34 S CA -0.904 57.171 58.200 -0.207 0.000 0.887 34 S CB 1.940 65.069 63.200 -0.118 0.000 1.095 34 S HN 0.894 9.204 8.310 -0.000 0.000 0.476 35 K N 1.707 122.004 120.400 -0.173 0.000 2.235 35 K HA 0.598 4.920 4.320 0.004 0.000 0.266 35 K C -1.452 175.116 176.600 -0.054 0.000 0.980 35 K CA -0.701 55.481 56.287 -0.175 0.000 0.849 35 K CB 0.555 32.856 32.500 -0.331 0.000 1.098 35 K HN 0.716 8.966 8.250 -0.000 0.000 0.445 36 L N 3.624 124.875 121.223 0.047 0.000 2.346 36 L HA 0.382 4.724 4.340 0.004 0.000 0.276 36 L C -0.363 176.638 176.870 0.218 0.000 1.006 36 L CA -0.926 54.001 54.840 0.144 0.000 0.817 36 L CB 1.918 44.100 42.059 0.205 0.000 1.272 36 L HN 0.636 8.866 8.230 -0.000 0.000 0.421 37 Q N 3.420 123.356 119.800 0.226 0.000 2.368 37 Q HA 0.331 4.673 4.340 0.004 0.000 0.256 37 Q C 0.406 176.467 176.000 0.102 0.000 0.980 37 Q CA -0.399 55.509 55.803 0.176 0.000 0.887 37 Q CB 1.259 30.086 28.738 0.148 0.000 1.221 37 Q HN 0.801 9.071 8.270 -0.000 0.000 0.458 38 I N 0.568 121.169 120.570 0.051 0.000 3.883 38 I HA 0.552 4.724 4.170 0.004 0.000 0.326 38 I C 0.527 176.679 176.117 0.060 0.000 1.283 38 I CA 0.106 61.446 61.300 0.068 0.000 1.161 38 I CB 0.300 38.287 38.000 -0.021 0.000 1.012 38 I HN 0.598 8.808 8.210 -0.000 0.000 0.421 39 G N 1.043 109.853 108.800 0.017 0.000 2.343 39 G HA2 0.349 4.312 3.960 0.004 0.000 0.289 39 G HA3 0.349 4.312 3.960 0.004 0.000 0.289 39 G C -1.586 173.296 174.900 -0.030 0.000 1.295 39 G CA -1.109 43.995 45.100 0.007 0.000 0.869 39 G HN 0.160 8.450 8.290 -0.000 0.000 0.522 40 R N -0.041 120.450 120.500 -0.015 0.000 2.686 40 R HA 0.673 5.016 4.340 0.004 0.000 0.286 40 R C 0.629 176.935 176.300 0.010 0.000 0.969 40 R CA -0.245 55.843 56.100 -0.020 0.000 0.898 40 R CB 2.030 32.317 30.300 -0.022 0.000 1.183 40 R HN 0.923 9.193 8.270 -0.000 0.000 0.456 41 S N 0.979 116.698 115.700 0.032 0.000 2.606 41 S HA -0.070 4.403 4.470 0.004 0.000 0.257 41 S C 1.136 175.788 174.600 0.087 0.000 1.327 41 S CA -0.319 57.930 58.200 0.081 0.000 0.984 41 S CB 0.292 63.557 63.200 0.109 0.000 0.941 41 S HN 0.719 9.029 8.310 -0.000 0.000 0.576 42 Y N 1.127 121.439 120.300 0.020 0.000 2.165 42 Y HA -0.113 4.440 4.550 0.005 0.000 0.286 42 Y C 2.064 177.971 175.900 0.012 0.000 1.155 42 Y CA 2.233 60.341 58.100 0.012 0.000 1.164 42 Y CB -0.357 38.111 38.460 0.012 0.000 0.978 42 Y HN 0.809 9.089 8.280 -0.000 0.000 0.513 43 E N -0.690 119.549 120.200 0.065 0.000 2.445 43 E HA 0.162 4.514 4.350 0.004 0.000 0.189 43 E C 1.273 177.855 176.600 -0.030 0.000 1.069 43 E CA 0.446 56.840 56.400 -0.010 0.000 0.871 43 E CB -0.171 29.581 29.700 0.086 0.000 0.991 43 E HN 0.663 9.023 8.360 -0.000 0.000 0.481 44 G N 2.205 110.982 108.800 -0.039 0.000 2.157 44 G HA2 -0.320 3.642 3.960 0.004 0.000 0.248 44 G HA3 -0.320 3.642 3.960 0.004 0.000 0.248 44 G C 0.206 175.109 174.900 0.006 0.000 0.979 44 G CA -0.213 44.871 45.100 -0.026 0.000 0.650 44 G HN 0.194 8.484 8.290 -0.000 0.000 0.529 45 R N 1.411 121.932 120.500 0.034 0.000 2.490 45 R HA 0.382 4.725 4.340 0.004 0.000 0.280 45 R C -2.087 174.220 176.300 0.012 0.000 1.077 45 R CA -1.265 54.870 56.100 0.059 0.000 1.065 45 R CB 0.709 31.070 30.300 0.102 0.000 1.003 45 R HN 0.190 8.460 8.270 -0.000 0.000 0.470 46 P HA 0.045 4.465 4.420 -0.000 0.000 0.271 46 P C -0.516 176.531 177.300 -0.421 0.000 1.216 46 P CA 0.306 63.220 63.100 -0.310 0.000 0.776 46 P CB 0.683 32.064 31.700 -0.531 0.000 0.881 47 I N 4.027 124.383 120.570 -0.355 0.000 2.312 47 I HA 0.241 4.413 4.170 0.004 0.000 0.290 47 I C -0.085 175.870 176.117 -0.271 0.000 1.008 47 I CA -0.726 60.451 61.300 -0.205 0.000 1.226 47 I CB 0.325 38.303 38.000 -0.036 0.000 1.371 47 I HN 0.259 8.469 8.210 -0.000 0.000 0.468 48 Y N 5.226 125.479 120.300 -0.079 0.000 2.420 48 Y HA 0.628 5.179 4.550 0.002 0.000 0.334 48 Y C 0.060 175.921 175.900 -0.064 0.000 1.094 48 Y CA -1.061 56.964 58.100 -0.125 0.000 1.126 48 Y CB 1.761 40.050 38.460 -0.286 0.000 1.217 48 Y HN 0.138 8.418 8.280 -0.000 0.000 0.462 49 V N 4.335 124.333 119.914 0.139 0.000 2.656 49 V HA 0.413 4.535 4.120 0.004 0.000 0.307 49 V C -0.558 175.574 176.094 0.063 0.000 1.051 49 V CA -1.065 61.280 62.300 0.075 0.000 0.893 49 V CB 2.070 33.920 31.823 0.045 0.000 0.999 49 V HN 0.559 8.749 8.190 -0.000 0.000 0.426 50 L N 4.322 125.576 121.223 0.051 0.000 2.275 50 L HA 0.556 4.898 4.340 0.004 0.000 0.288 50 L C 0.091 176.920 176.870 -0.067 0.000 1.046 50 L CA -0.326 54.478 54.840 -0.060 0.000 0.805 50 L CB 1.297 43.334 42.059 -0.035 0.000 1.193 50 L HN 0.571 8.801 8.230 -0.000 0.000 0.426 51 K N 3.810 124.056 120.400 -0.255 0.000 2.293 51 K HA 0.435 4.757 4.320 0.004 0.000 0.267 51 K C -1.435 174.879 176.600 -0.476 0.000 1.010 51 K CA -0.496 55.555 56.287 -0.393 0.000 0.875 51 K CB 0.738 33.059 32.500 -0.297 0.000 1.106 51 K HN 0.238 8.488 8.250 -0.000 0.000 0.450 52 F N 2.222 121.996 119.950 -0.293 0.000 2.404 52 F HA 0.358 4.887 4.527 0.004 0.000 0.354 52 F C 0.464 176.090 175.800 -0.290 0.000 1.122 52 F CA -0.279 57.592 58.000 -0.216 0.000 1.080 52 F CB 1.921 40.840 39.000 -0.135 0.000 1.131 52 F HN 0.386 8.686 8.300 -0.000 0.000 0.471 53 S N 1.402 117.016 115.700 -0.143 0.000 2.550 53 S HA 0.363 4.835 4.470 0.004 0.000 0.270 53 S C 0.005 174.492 174.600 -0.188 0.000 1.145 53 S CA -0.369 57.732 58.200 -0.165 0.000 0.852 53 S CB 1.870 64.989 63.200 -0.135 0.000 1.119 53 S HN 0.651 8.961 8.310 -0.000 0.000 0.465 54 T N 1.917 116.356 114.554 -0.191 0.000 3.054 54 T HA 0.596 4.948 4.350 0.004 0.000 0.255 54 T C 0.634 175.280 174.700 -0.089 0.000 1.035 54 T CA 1.061 63.053 62.100 -0.180 0.000 0.941 54 T CB -0.763 67.974 68.868 -0.219 0.000 1.026 54 T HN 1.548 9.788 8.240 -0.000 0.000 0.533 55 G N -0.653 108.104 108.800 -0.071 0.000 2.302 55 G HA2 0.452 4.414 3.960 0.004 0.000 0.264 55 G HA3 0.452 4.414 3.960 0.004 0.000 0.264 55 G C 0.119 175.005 174.900 -0.025 0.000 1.335 55 G CA -0.089 44.987 45.100 -0.038 0.000 0.982 55 G HN 1.253 9.543 8.290 -0.000 0.000 0.473 56 G N -1.777 107.014 108.800 -0.015 0.000 2.781 56 G HA2 0.335 4.297 3.960 0.004 0.000 0.683 56 G HA3 0.335 4.297 3.960 0.004 0.000 0.683 56 G C 1.059 175.958 174.900 -0.002 0.000 1.390 56 G CA 0.964 46.059 45.100 -0.009 0.000 0.850 56 G HN 2.319 10.609 8.290 -0.000 0.000 0.557 57 S N -0.416 115.280 115.700 -0.007 0.000 2.310 57 S HA 0.195 4.667 4.470 0.004 0.000 0.205 57 S C 1.096 175.685 174.600 -0.018 0.000 1.020 57 S CA 1.346 59.539 58.200 -0.011 0.000 0.939 57 S CB 0.244 63.431 63.200 -0.022 0.000 0.919 57 S HN 1.446 9.756 8.310 -0.000 0.000 0.501 58 N N 1.083 119.756 118.700 -0.044 0.000 2.723 58 N HA 0.331 5.073 4.740 0.004 0.000 0.290 58 N C -1.002 174.480 175.510 -0.047 0.000 1.882 58 N CA -0.358 52.629 53.050 -0.104 0.000 0.851 58 N CB 0.357 38.719 38.487 -0.208 0.000 1.234 58 N HN 0.254 8.634 8.380 -0.000 0.000 0.491 59 R N 0.986 121.501 120.500 0.025 0.000 2.756 59 R HA 0.141 4.483 4.340 0.004 0.000 0.264 59 R C -2.032 174.322 176.300 0.089 0.000 1.026 59 R CA -0.965 55.161 56.100 0.042 0.000 1.121 59 R CB -0.020 30.300 30.300 0.034 0.000 0.999 59 R HN 0.358 8.628 8.270 -0.000 0.000 0.449 60 P HA -0.018 4.402 4.420 -0.000 0.000 0.266 60 P C -1.198 176.147 177.300 0.074 0.000 1.195 60 P CA 0.280 63.428 63.100 0.080 0.000 0.768 60 P CB 0.873 32.614 31.700 0.069 0.000 0.838 61 A N 3.432 126.249 122.820 -0.004 0.000 2.430 61 A HA 0.741 5.063 4.320 0.004 0.000 0.300 61 A C -0.843 176.882 177.584 0.235 0.000 1.124 61 A CA -0.689 51.336 52.037 -0.019 0.000 0.766 61 A CB 1.189 19.928 19.000 -0.435 0.000 1.328 61 A HN 0.366 8.516 8.150 -0.000 0.000 0.424 62 I N 1.126 121.955 120.570 0.432 0.000 2.406 62 I HA 0.293 4.465 4.170 0.004 0.000 0.290 62 I C -0.671 175.911 176.117 0.775 0.000 0.999 62 I CA -0.605 61.026 61.300 0.552 0.000 1.124 62 I CB 1.352 39.545 38.000 0.322 0.000 1.289 62 I HN 0.814 9.024 8.210 -0.000 0.000 0.441 63 W N 8.370 129.989 121.300 0.531 0.000 2.520 63 W HA 0.645 5.307 4.660 0.003 0.000 0.323 63 W C -1.714 174.845 176.519 0.066 0.000 1.062 63 W CA -0.655 56.827 57.345 0.228 0.000 1.215 63 W CB 1.611 30.873 29.460 -0.329 0.000 1.340 63 W HN 0.328 8.508 8.180 -0.000 0.000 0.516 64 I N 5.716 125.918 120.570 -0.614 0.000 2.512 64 I HA 0.114 4.286 4.170 0.004 0.000 0.287 64 I C -1.071 174.679 176.117 -0.611 0.000 1.069 64 I CA -0.559 60.532 61.300 -0.348 0.000 1.056 64 I CB 2.083 40.107 38.000 0.040 0.000 1.229 64 I HN 0.337 8.547 8.210 -0.000 0.000 0.429 65 D N 6.682 126.898 120.400 -0.306 0.000 2.457 65 D HA 0.798 5.441 4.640 0.004 0.000 0.240 65 D C -1.078 175.219 176.300 -0.004 0.000 1.041 65 D CA -0.478 53.449 54.000 -0.121 0.000 0.861 65 D CB 2.095 43.027 40.800 0.220 0.000 1.394 65 D HN 0.208 8.578 8.370 -0.000 0.000 0.473 66 L N 0.394 121.605 121.223 -0.020 0.000 2.376 66 L HA 0.760 5.102 4.340 0.004 0.000 0.258 66 L C 1.149 177.994 176.870 -0.041 0.000 1.013 66 L CA -0.643 54.175 54.840 -0.036 0.000 0.822 66 L CB 2.062 44.087 42.059 -0.057 0.000 1.388 66 L HN 0.818 9.048 8.230 -0.000 0.000 0.413 67 G N 0.533 109.305 108.800 -0.048 0.000 2.179 67 G HA2 -0.308 3.654 3.960 0.004 0.000 0.257 67 G HA3 -0.308 3.654 3.960 0.004 0.000 0.257 67 G C 0.839 175.759 174.900 0.032 0.000 1.010 67 G CA 0.777 45.873 45.100 -0.007 0.000 0.736 67 G HN 0.741 9.031 8.290 -0.000 0.000 0.513 68 I N -0.552 119.991 120.570 -0.045 0.000 2.454 68 I HA -0.007 4.165 4.170 0.004 0.000 0.254 68 I C 1.089 177.247 176.117 0.069 0.000 1.156 68 I CA 0.968 62.270 61.300 0.004 0.000 1.433 68 I CB 0.085 38.057 38.000 -0.046 0.000 1.082 68 I HN 0.454 8.664 8.210 -0.000 0.000 0.432 69 H N -0.317 118.817 119.070 0.106 0.000 2.623 69 H HA 0.162 4.719 4.556 0.003 0.000 0.299 69 H C 1.490 176.915 175.328 0.162 0.000 1.052 69 H CA -0.076 56.050 56.048 0.130 0.000 1.231 69 H CB 1.137 30.984 29.762 0.142 0.000 1.389 69 H HN 0.180 8.460 8.280 -0.000 0.000 0.469 70 S N 3.597 119.510 115.700 0.356 0.000 2.387 70 S HA -0.317 4.155 4.470 0.004 0.000 0.230 70 S C 1.956 176.855 174.600 0.498 0.000 1.035 70 S CA 1.435 59.915 58.200 0.466 0.000 1.014 70 S CB -0.179 63.356 63.200 0.559 0.000 0.836 70 S HN 0.760 9.070 8.310 -0.000 0.000 0.466 71 R N 1.775 122.401 120.500 0.210 0.000 2.280 71 R HA 0.108 4.450 4.340 0.004 0.000 0.207 71 R C 0.275 176.587 176.300 0.019 0.000 1.043 71 R CA 0.947 57.024 56.100 -0.039 0.000 1.006 71 R CB -0.585 29.499 30.300 -0.360 0.000 0.885 71 R HN 0.450 8.720 8.270 -0.000 0.000 0.467 72 E N 1.010 121.346 120.200 0.225 0.000 2.261 72 E HA -0.025 4.327 4.350 0.004 0.000 0.308 72 E C -0.255 176.613 176.600 0.447 0.000 1.400 72 E CA -0.528 56.092 56.400 0.366 0.000 1.542 72 E CB -0.044 29.884 29.700 0.380 0.000 1.369 72 E HN 0.342 8.702 8.360 -0.000 0.000 0.493 73 W N 0.481 121.866 121.300 0.141 0.000 2.313 73 W HA -0.213 4.449 4.660 0.003 0.000 0.293 73 W C 1.821 178.481 176.519 0.235 0.000 1.216 73 W CA 0.383 57.798 57.345 0.117 0.000 1.223 73 W CB -0.524 28.791 29.460 -0.242 0.000 1.138 73 W HN 0.425 8.605 8.180 -0.000 0.000 0.535 74 I N 1.063 121.918 120.570 0.475 0.000 2.567 74 I HA -0.267 3.905 4.170 0.004 0.000 0.257 74 I C 2.511 178.769 176.117 0.234 0.000 1.184 74 I CA 2.324 63.869 61.300 0.409 0.000 1.451 74 I CB -0.832 37.358 38.000 0.317 0.000 1.089 74 I HN 0.035 8.245 8.210 -0.000 0.000 0.441 75 T N -2.162 112.517 114.554 0.209 0.000 2.770 75 T HA -0.179 4.173 4.350 0.004 0.000 0.263 75 T C 1.818 176.515 174.700 -0.005 0.000 1.039 75 T CA 1.288 63.436 62.100 0.081 0.000 1.142 75 T CB -0.562 68.360 68.868 0.091 0.000 0.868 75 T HN 0.352 8.592 8.240 -0.000 0.000 0.435 76 Q N 1.563 121.367 119.800 0.006 0.000 2.170 76 Q HA 0.266 4.608 4.340 0.004 0.000 0.203 76 Q C 2.642 178.623 176.000 -0.031 0.000 0.976 76 Q CA 1.581 57.326 55.803 -0.096 0.000 0.858 76 Q CB -0.748 27.807 28.738 -0.305 0.000 0.907 76 Q HN 0.745 9.015 8.270 -0.000 0.000 0.433 77 A N -0.157 122.713 122.820 0.084 0.000 1.930 77 A HA -0.163 4.160 4.320 0.004 0.000 0.217 77 A C 2.193 179.776 177.584 -0.002 0.000 1.175 77 A CA 1.796 53.894 52.037 0.101 0.000 0.627 77 A CB -0.773 18.332 19.000 0.175 0.000 0.815 77 A HN 0.346 8.496 8.150 -0.000 0.000 0.443 78 T N -0.406 114.087 114.554 -0.101 0.000 2.904 78 T HA 0.017 4.369 4.350 0.004 0.000 0.267 78 T C 1.926 176.312 174.700 -0.524 0.000 1.059 78 T CA 1.208 63.118 62.100 -0.316 0.000 1.137 78 T CB -0.418 68.197 68.868 -0.421 0.000 0.879 78 T HN 0.570 8.810 8.240 -0.000 0.000 0.467 79 G N 1.040 109.621 108.800 -0.366 0.000 2.418 79 G HA2 -0.154 3.808 3.960 0.004 0.000 0.217 79 G HA3 -0.154 3.808 3.960 0.004 0.000 0.217 79 G C 1.677 176.490 174.900 -0.146 0.000 1.158 79 G CA 0.721 45.653 45.100 -0.280 0.000 0.771 79 G HN 0.423 8.713 8.290 -0.000 0.000 0.545 80 V N -0.577 119.261 119.914 -0.126 0.000 2.343 80 V HA -0.158 3.964 4.120 0.004 0.000 0.247 80 V C 2.252 178.275 176.094 -0.119 0.000 1.051 80 V CA 1.823 63.985 62.300 -0.229 0.000 1.036 80 V CB -0.553 31.054 31.823 -0.360 0.000 0.654 80 V HN 0.619 8.809 8.190 -0.000 0.000 0.451 81 W N -0.165 121.020 121.300 -0.192 0.000 2.363 81 W HA -0.151 4.511 4.660 0.003 0.000 0.296 81 W C 2.225 178.584 176.519 -0.267 0.000 1.212 81 W CA 1.290 58.502 57.345 -0.222 0.000 1.260 81 W CB -0.284 29.074 29.460 -0.170 0.000 1.131 81 W HN 0.202 8.382 8.180 -0.000 0.000 0.530 82 F N 0.655 120.411 119.950 -0.324 0.000 2.102 82 F HA -0.169 4.360 4.527 0.004 0.000 0.298 82 F C 2.555 177.475 175.800 -1.467 0.000 1.105 82 F CA 1.501 58.962 58.000 -0.899 0.000 1.239 82 F CB -1.705 36.879 39.000 -0.694 0.000 0.991 82 F HN -0.023 8.277 8.300 -0.000 0.000 0.474 83 A N -0.292 122.159 122.820 -0.615 0.000 1.917 83 A HA -0.286 4.036 4.320 0.004 0.000 0.219 83 A C 2.243 179.672 177.584 -0.259 0.000 1.182 83 A CA 2.306 54.146 52.037 -0.328 0.000 0.633 83 A CB -0.708 18.444 19.000 0.254 0.000 0.819 83 A HN 0.250 8.400 8.150 -0.000 0.000 0.448 84 K N 0.092 120.339 120.400 -0.256 0.000 2.062 84 K HA -0.114 4.208 4.320 0.004 0.000 0.205 84 K C 1.977 178.225 176.600 -0.587 0.000 1.051 84 K CA 1.904 58.014 56.287 -0.294 0.000 0.941 84 K CB -0.266 32.020 32.500 -0.356 0.000 0.719 84 K HN 0.270 8.520 8.250 -0.000 0.000 0.440 85 K N -0.036 119.775 120.400 -0.981 0.000 2.074 85 K HA -0.114 4.208 4.320 0.004 0.000 0.209 85 K C 1.817 177.938 176.600 -0.798 0.000 1.048 85 K CA 1.627 57.230 56.287 -1.140 0.000 0.926 85 K CB -0.565 30.922 32.500 -1.688 0.000 0.713 85 K HN 0.100 8.350 8.250 -0.000 0.000 0.444 86 F N 1.044 120.472 119.950 -0.870 0.000 2.095 86 F HA -0.186 4.343 4.527 0.004 0.000 0.298 86 F C 2.521 178.178 175.800 -0.239 0.000 1.104 86 F CA 1.803 59.389 58.000 -0.691 0.000 1.232 86 F CB -1.798 36.721 39.000 -0.802 0.000 0.987 86 F HN 0.314 8.614 8.300 -0.000 0.000 0.475 87 T N -2.520 112.000 114.554 -0.057 0.000 2.915 87 T HA -0.114 4.238 4.350 0.004 0.000 0.269 87 T C 1.623 176.212 174.700 -0.185 0.000 1.071 87 T CA 1.333 63.309 62.100 -0.206 0.000 1.132 87 T CB -0.376 68.097 68.868 -0.659 0.000 0.878 87 T HN 0.359 8.599 8.240 -0.000 0.000 0.479 88 E N 1.024 121.100 120.200 -0.207 0.000 2.122 88 E HA 0.019 4.371 4.350 0.004 0.000 0.190 88 E C 1.864 178.409 176.600 -0.091 0.000 0.977 88 E CA 0.723 57.028 56.400 -0.158 0.000 0.820 88 E CB -0.041 29.508 29.700 -0.252 0.000 0.770 88 E HN 0.430 8.790 8.360 -0.000 0.000 0.462 89 N N -0.152 118.483 118.700 -0.109 0.000 2.415 89 N HA -0.057 4.685 4.740 0.004 0.000 0.176 89 N C -0.152 175.498 175.510 0.233 0.000 1.042 89 N CA 0.160 53.211 53.050 0.002 0.000 0.902 89 N CB -0.008 38.399 38.487 -0.134 0.000 0.986 89 N HN 0.107 8.487 8.380 -0.000 0.000 0.447 90 Y N 0.931 121.383 120.300 0.252 0.000 2.650 90 Y HA 0.296 4.848 4.550 0.004 0.000 0.331 90 Y C 1.502 177.461 175.900 0.098 0.000 1.165 90 Y CA 0.700 58.942 58.100 0.235 0.000 1.473 90 Y CB -0.092 38.470 38.460 0.170 0.000 1.224 90 Y HN 0.303 8.583 8.280 -0.000 0.000 0.533 91 G N 4.239 112.651 108.800 -0.647 0.000 2.234 91 G HA2 -0.259 3.703 3.960 0.004 0.000 0.235 91 G HA3 -0.259 3.703 3.960 0.004 0.000 0.235 91 G C 0.844 175.627 174.900 -0.194 0.000 0.997 91 G CA 0.503 45.309 45.100 -0.490 0.000 0.623 91 G HN 0.533 8.823 8.290 -0.000 0.000 0.514 92 Q N -0.313 119.431 119.800 -0.094 0.000 2.511 92 Q HA 0.162 4.505 4.340 0.004 0.000 0.236 92 Q C 0.787 176.784 176.000 -0.005 0.000 0.893 92 Q CA 0.237 56.017 55.803 -0.037 0.000 0.947 92 Q CB 0.046 28.775 28.738 -0.016 0.000 1.110 92 Q HN 0.514 8.784 8.270 -0.000 0.000 0.591 93 N N 2.135 120.861 118.700 0.043 0.000 2.426 93 N HA 0.118 4.860 4.740 0.004 0.000 0.257 93 N C -2.156 173.395 175.510 0.069 0.000 1.002 93 N CA -1.652 51.448 53.050 0.083 0.000 0.942 93 N CB 2.102 40.689 38.487 0.167 0.000 1.112 93 N HN -0.216 8.164 8.380 -0.000 0.000 0.499 94 P HA -0.092 4.328 4.420 -0.000 0.000 0.216 94 P C 1.095 178.405 177.300 0.016 0.000 1.153 94 P CA 1.300 64.401 63.100 0.003 0.000 0.858 94 P CB 0.405 32.103 31.700 -0.004 0.000 0.789 95 S N -1.348 114.379 115.700 0.045 0.000 2.345 95 S HA -0.141 4.331 4.470 0.004 0.000 0.220 95 S C 1.679 176.328 174.600 0.081 0.000 1.031 95 S CA 0.999 59.224 58.200 0.040 0.000 0.996 95 S CB -1.226 61.991 63.200 0.028 0.000 0.882 95 S HN 0.100 8.410 8.310 -0.000 0.000 0.445 96 F N 2.701 122.663 119.950 0.020 0.000 2.186 96 F HA -0.116 4.413 4.527 0.003 0.000 0.299 96 F C 2.418 178.264 175.800 0.077 0.000 1.090 96 F CA 1.387 59.423 58.000 0.060 0.000 1.307 96 F CB -1.033 38.068 39.000 0.169 0.000 1.019 96 F HN 0.103 8.403 8.300 -0.000 0.000 0.489 97 T N 0.532 115.096 114.554 0.016 0.000 2.720 97 T HA -0.198 4.155 4.350 0.004 0.000 0.268 97 T C 2.239 176.903 174.700 -0.060 0.000 1.037 97 T CA 1.458 63.522 62.100 -0.061 0.000 1.144 97 T CB -0.829 67.933 68.868 -0.178 0.000 0.864 97 T HN 0.358 8.598 8.240 -0.000 0.000 0.444 98 A N 0.980 123.759 122.820 -0.069 0.000 1.933 98 A HA -0.034 4.288 4.320 0.004 0.000 0.218 98 A C 2.280 179.803 177.584 -0.101 0.000 1.175 98 A CA 1.216 53.215 52.037 -0.064 0.000 0.628 98 A CB -0.745 18.225 19.000 -0.050 0.000 0.814 98 A HN 0.531 8.681 8.150 -0.000 0.000 0.444 99 I N -0.597 119.872 120.570 -0.168 0.000 2.142 99 I HA -0.238 3.934 4.170 0.004 0.000 0.240 99 I C 2.335 178.292 176.117 -0.267 0.000 1.078 99 I CA 1.186 62.359 61.300 -0.212 0.000 1.343 99 I CB -0.305 37.548 38.000 -0.245 0.000 1.046 99 I HN 0.266 8.476 8.210 -0.000 0.000 0.405 100 L N 0.294 121.260 121.223 -0.430 0.000 2.362 100 L HA -0.196 4.146 4.340 0.004 0.000 0.219 100 L C 1.643 178.394 176.870 -0.199 0.000 1.134 100 L CA 0.946 55.550 54.840 -0.395 0.000 0.807 100 L CB -0.486 41.209 42.059 -0.605 0.000 0.927 100 L HN 0.299 8.529 8.230 -0.000 0.000 0.447 101 D N -1.133 119.224 120.400 -0.072 0.000 2.317 101 D HA -0.059 4.584 4.640 0.004 0.000 0.211 101 D C 1.824 178.099 176.300 -0.042 0.000 0.966 101 D CA 0.786 54.778 54.000 -0.012 0.000 0.876 101 D CB 0.509 41.329 40.800 0.034 0.000 0.927 101 D HN 0.164 8.534 8.370 -0.000 0.000 0.519 102 S N -1.158 114.504 115.700 -0.064 0.000 2.604 102 S HA 0.271 4.743 4.470 0.004 0.000 0.235 102 S C 0.659 175.234 174.600 -0.042 0.000 1.043 102 S CA -0.200 57.973 58.200 -0.045 0.000 0.997 102 S CB 1.379 64.556 63.200 -0.038 0.000 0.956 102 S HN 0.067 8.377 8.310 -0.000 0.000 0.535 103 M N 1.125 120.685 119.600 -0.067 0.000 2.593 103 M HA 0.488 4.970 4.480 0.004 0.000 0.290 103 M C -1.822 174.439 176.300 -0.065 0.000 1.244 103 M CA -0.795 54.481 55.300 -0.039 0.000 0.857 103 M CB 1.760 34.347 32.600 -0.022 0.000 1.738 103 M HN -0.173 8.117 8.290 -0.000 0.000 0.461 104 D N 1.431 121.828 120.400 -0.006 0.000 2.217 104 D HA 0.686 5.328 4.640 0.004 0.000 0.248 104 D C -0.929 175.368 176.300 -0.005 0.000 1.008 104 D CA -0.110 53.860 54.000 -0.051 0.000 0.914 104 D CB 1.772 42.566 40.800 -0.009 0.000 1.182 104 D HN 0.396 8.766 8.370 -0.000 0.000 0.451 105 I N 1.148 121.664 120.570 -0.089 0.000 2.498 105 I HA 0.317 4.489 4.170 0.004 0.000 0.290 105 I C -0.914 175.225 176.117 0.037 0.000 1.032 105 I CA -0.775 60.557 61.300 0.054 0.000 1.073 105 I CB 1.318 39.252 38.000 -0.111 0.000 1.251 105 I HN 0.064 8.274 8.210 -0.000 0.000 0.426 106 F N 6.591 126.723 119.950 0.303 0.000 2.426 106 F HA 0.486 5.015 4.527 0.003 0.000 0.348 106 F C -0.375 175.396 175.800 -0.048 0.000 1.124 106 F CA -0.681 57.462 58.000 0.238 0.000 1.008 106 F CB 1.635 40.909 39.000 0.456 0.000 1.139 106 F HN 0.207 8.507 8.300 -0.000 0.000 0.452 107 L N 3.959 125.278 121.223 0.161 0.000 2.325 107 L HA 0.462 4.804 4.340 0.004 0.000 0.281 107 L C -0.554 176.270 176.870 -0.077 0.000 1.004 107 L CA -0.318 54.545 54.840 0.038 0.000 0.823 107 L CB 1.482 43.726 42.059 0.308 0.000 1.236 107 L HN 0.638 8.868 8.230 -0.000 0.000 0.415 108 E N 4.857 124.900 120.200 -0.262 0.000 2.101 108 E HA 0.261 4.613 4.350 0.004 0.000 0.260 108 E C 0.449 177.022 176.600 -0.045 0.000 0.897 108 E CA -0.213 56.110 56.400 -0.128 0.000 0.744 108 E CB 0.736 30.354 29.700 -0.137 0.000 1.140 108 E HN 0.801 9.161 8.360 -0.000 0.000 0.419 109 I N 2.963 123.541 120.570 0.014 0.000 2.286 109 I HA -0.085 4.087 4.170 0.004 0.000 0.245 109 I C 0.422 176.516 176.117 -0.038 0.000 1.104 109 I CA 0.603 61.901 61.300 -0.004 0.000 1.397 109 I CB 0.347 38.367 38.000 0.033 0.000 1.072 109 I HN 0.303 8.513 8.210 -0.000 0.000 0.417 110 V N 1.141 121.071 119.914 0.025 0.000 2.276 110 V HA 0.132 4.254 4.120 0.004 0.000 0.268 110 V C 0.847 176.992 176.094 0.085 0.000 1.032 110 V CA -0.158 62.132 62.300 -0.017 0.000 0.810 110 V CB 0.620 32.451 31.823 0.014 0.000 1.060 110 V HN 0.178 8.368 8.190 -0.000 0.000 0.446 111 T N 1.247 115.849 114.554 0.079 0.000 2.951 111 T HA -0.080 4.272 4.350 0.004 0.000 0.268 111 T C 0.975 175.767 174.700 0.153 0.000 1.073 111 T CA 1.305 63.488 62.100 0.140 0.000 1.134 111 T CB -0.144 68.822 68.868 0.164 0.000 0.884 111 T HN 0.654 8.894 8.240 -0.000 0.000 0.479 112 N N 1.191 119.984 118.700 0.154 0.000 2.841 112 N HA 0.149 4.891 4.740 0.004 0.000 0.257 112 N C -2.109 173.544 175.510 0.239 0.000 1.396 112 N CA -1.907 51.262 53.050 0.199 0.000 0.823 112 N CB 1.480 40.106 38.487 0.232 0.000 1.162 112 N HN 0.009 8.389 8.380 -0.000 0.000 0.503 113 P HA -0.126 4.294 4.420 -0.000 0.000 0.217 113 P C 0.410 177.863 177.300 0.256 0.000 1.150 113 P CA 1.216 64.463 63.100 0.244 0.000 0.832 113 P CB 0.335 32.164 31.700 0.214 0.000 0.787 114 N N 0.037 118.867 118.700 0.216 0.000 2.084 114 N HA -0.098 4.645 4.740 0.004 0.000 0.190 114 N C 2.236 177.883 175.510 0.228 0.000 1.030 114 N CA 1.111 54.272 53.050 0.186 0.000 0.849 114 N CB -0.638 37.941 38.487 0.152 0.000 1.012 114 N HN 0.170 8.550 8.380 -0.000 0.000 0.423 115 G N 0.639 109.620 108.800 0.301 0.000 2.408 115 G HA2 -0.248 3.714 3.960 0.004 0.000 0.217 115 G HA3 -0.248 3.714 3.960 0.004 0.000 0.217 115 G C 1.239 176.447 174.900 0.514 0.000 1.150 115 G CA 0.169 45.528 45.100 0.431 0.000 0.776 115 G HN 0.208 8.498 8.290 -0.000 0.000 0.542 116 F N 2.542 122.674 119.950 0.304 0.000 2.102 116 F HA 0.018 4.547 4.527 0.003 0.000 0.298 116 F C 2.807 178.809 175.800 0.337 0.000 1.105 116 F CA 1.104 59.292 58.000 0.313 0.000 1.239 116 F CB -0.567 38.553 39.000 0.200 0.000 0.991 116 F HN 0.228 8.528 8.300 -0.000 0.000 0.474 117 A N -0.460 122.504 122.820 0.238 0.000 1.940 117 A HA -0.252 4.070 4.320 0.004 0.000 0.219 117 A C 2.196 179.862 177.584 0.136 0.000 1.176 117 A CA 1.662 53.755 52.037 0.093 0.000 0.631 117 A CB -1.642 17.416 19.000 0.096 0.000 0.814 117 A HN 0.475 8.625 8.150 -0.000 0.000 0.446 118 F N 1.797 121.763 119.950 0.027 0.000 2.216 118 F HA -0.157 4.371 4.527 0.002 0.000 0.300 118 F C 2.705 178.514 175.800 0.016 0.000 1.085 118 F CA 2.158 60.129 58.000 -0.049 0.000 1.326 118 F CB -0.376 38.490 39.000 -0.224 0.000 1.027 118 F HN 0.360 8.660 8.300 -0.000 0.000 0.497 119 T N -3.583 111.098 114.554 0.211 0.000 2.962 119 T HA -0.173 4.179 4.350 0.004 0.000 0.270 119 T C 1.867 176.575 174.700 0.014 0.000 1.088 119 T CA 1.471 63.650 62.100 0.131 0.000 1.127 119 T CB -0.629 68.433 68.868 0.322 0.000 0.883 119 T HN 0.396 8.636 8.240 -0.000 0.000 0.493 120 H N 0.971 120.055 119.070 0.023 0.000 2.497 120 H HA 0.196 4.754 4.556 0.004 0.000 0.282 120 H C 2.490 177.769 175.328 -0.082 0.000 1.003 120 H CA 1.478 57.522 56.048 -0.008 0.000 1.307 120 H CB 0.411 30.067 29.762 -0.177 0.000 1.437 120 H HN 0.650 8.930 8.280 -0.000 0.000 0.544 121 S N -1.051 114.614 115.700 -0.059 0.000 2.554 121 S HA 0.112 4.584 4.470 0.004 0.000 0.227 121 S C 1.321 175.759 174.600 -0.270 0.000 1.050 121 S CA -0.266 57.854 58.200 -0.133 0.000 0.927 121 S CB 0.965 64.097 63.200 -0.112 0.000 0.859 121 S HN 0.162 8.472 8.310 -0.000 0.000 0.494 122 E N 1.388 121.281 120.200 -0.511 0.000 2.756 122 E HA 0.273 4.625 4.350 0.004 0.000 0.192 122 E C -0.429 175.872 176.600 -0.498 0.000 1.022 122 E CA 0.130 56.133 56.400 -0.662 0.000 1.224 122 E CB -0.156 28.727 29.700 -1.362 0.000 1.252 122 E HN 0.375 8.735 8.360 -0.000 0.000 0.494 123 N N 1.164 119.523 118.700 -0.569 0.000 2.531 123 N HA 0.100 4.842 4.740 0.004 0.000 0.268 123 N C 0.425 175.926 175.510 -0.015 0.000 1.023 123 N CA -0.053 52.925 53.050 -0.120 0.000 0.896 123 N CB 1.580 40.197 38.487 0.218 0.000 1.233 123 N HN -0.125 8.255 8.380 -0.000 0.000 0.512 124 R N 3.419 123.855 120.500 -0.107 0.000 2.159 124 R HA 0.067 4.409 4.340 0.004 0.000 0.237 124 R C 0.680 176.860 176.300 -0.200 0.000 1.131 124 R CA 1.603 57.566 56.100 -0.229 0.000 0.982 124 R CB -0.235 29.867 30.300 -0.329 0.000 0.868 124 R HN 0.676 8.946 8.270 -0.000 0.000 0.453 125 L N -0.094 121.092 121.223 -0.062 0.000 2.741 125 L HA 0.201 4.543 4.340 0.004 0.000 0.237 125 L C 0.257 177.127 176.870 0.001 0.000 1.178 125 L CA -0.726 54.065 54.840 -0.082 0.000 0.973 125 L CB -0.193 41.837 42.059 -0.049 0.000 1.255 125 L HN 0.213 8.443 8.230 -0.000 0.000 0.498 126 W N 2.259 123.562 121.300 0.004 0.000 2.210 126 W HA 0.004 4.668 4.660 0.007 0.000 0.330 126 W C 1.013 177.543 176.519 0.019 0.000 1.334 126 W CA 0.312 57.709 57.345 0.087 0.000 1.227 126 W CB 0.806 30.456 29.460 0.317 0.000 1.178 126 W HN 0.232 8.412 8.180 -0.000 0.000 0.560 127 R N 3.393 123.521 120.500 -0.619 0.000 2.257 127 R HA 0.081 4.423 4.340 0.004 0.000 0.195 127 R C 0.491 176.640 176.300 -0.251 0.000 0.921 127 R CA 0.255 56.120 56.100 -0.391 0.000 1.069 127 R CB 0.244 30.247 30.300 -0.496 0.000 1.115 127 R HN 0.332 8.602 8.270 -0.000 0.000 0.571 128 K N 0.708 120.765 120.400 -0.572 0.000 2.488 128 K HA 0.141 4.463 4.320 0.004 0.000 0.255 128 K C 0.441 177.232 176.600 0.319 0.000 1.036 128 K CA 0.050 56.276 56.287 -0.102 0.000 0.990 128 K CB 0.547 32.933 32.500 -0.191 0.000 1.304 128 K HN 0.082 8.332 8.250 -0.000 0.000 0.505 129 T N -1.239 113.475 114.554 0.268 0.000 2.801 129 T HA 0.202 4.554 4.350 0.004 0.000 0.324 129 T C 0.771 175.623 174.700 0.254 0.000 1.088 129 T CA -0.318 61.926 62.100 0.240 0.000 0.975 129 T CB 0.487 69.416 68.868 0.103 0.000 1.316 129 T HN 0.343 8.583 8.240 -0.000 0.000 0.533 130 R N -0.368 120.165 120.500 0.055 0.000 2.596 130 R HA 0.420 4.762 4.340 0.004 0.000 0.369 130 R C 0.053 176.178 176.300 -0.291 0.000 1.042 130 R CA -0.228 55.809 56.100 -0.105 0.000 1.120 130 R CB -0.091 30.157 30.300 -0.087 0.000 1.353 130 R HN 0.626 8.896 8.270 -0.000 0.000 0.564 131 S N -0.406 114.995 115.700 -0.498 0.000 2.576 131 S HA 0.269 4.741 4.470 0.004 0.000 0.276 131 S C -0.123 174.112 174.600 -0.608 0.000 1.339 131 S CA -0.375 57.110 58.200 -1.193 0.000 1.039 131 S CB 1.560 64.225 63.200 -0.892 0.000 0.902 131 S HN -0.075 8.235 8.310 -0.000 0.000 0.516 132 V N 2.658 122.237 119.914 -0.558 0.000 2.513 132 V HA 0.526 4.648 4.120 0.004 0.000 0.299 132 V C -0.012 176.050 176.094 -0.054 0.000 1.035 132 V CA -0.567 61.644 62.300 -0.148 0.000 0.889 132 V CB 1.958 33.780 31.823 -0.000 0.000 0.988 132 V HN 0.912 9.102 8.190 -0.000 0.000 0.440 133 T N 2.391 116.935 114.554 -0.018 0.000 2.906 133 T HA 0.237 4.589 4.350 0.004 0.000 0.302 133 T C 1.091 175.804 174.700 0.022 0.000 1.002 133 T CA 0.208 62.321 62.100 0.021 0.000 0.988 133 T CB 1.543 70.434 68.868 0.038 0.000 0.972 133 T HN 1.013 9.253 8.240 -0.000 0.000 0.447 134 S N 3.604 119.325 115.700 0.036 0.000 2.411 134 S HA -0.313 4.160 4.470 0.004 0.000 0.293 134 S C 2.174 176.783 174.600 0.015 0.000 1.146 134 S CA 2.309 60.526 58.200 0.029 0.000 1.337 134 S CB -1.490 61.732 63.200 0.037 0.000 1.258 134 S HN 1.013 9.323 8.310 -0.000 0.000 0.453 135 S N 0.806 116.516 115.700 0.017 0.000 2.592 135 S HA 0.204 4.676 4.470 0.004 0.000 0.256 135 S C 0.507 175.096 174.600 -0.019 0.000 0.974 135 S CA 0.519 58.722 58.200 0.004 0.000 0.963 135 S CB -0.895 62.313 63.200 0.014 0.000 0.750 135 S HN 0.966 9.276 8.310 -0.000 0.000 0.538 136 S N -1.165 114.521 115.700 -0.024 0.000 2.543 136 S HA 0.559 5.031 4.470 0.004 0.000 0.274 136 S C -0.166 174.414 174.600 -0.032 0.000 1.149 136 S CA -0.832 57.341 58.200 -0.045 0.000 0.866 136 S CB 0.725 63.869 63.200 -0.093 0.000 1.111 136 S HN 0.083 8.393 8.310 -0.000 0.000 0.457 137 L N 2.073 123.279 121.223 -0.030 0.000 2.509 137 L HA 0.353 4.695 4.340 0.004 0.000 0.222 137 L C 0.817 177.679 176.870 -0.014 0.000 1.123 137 L CA 0.576 55.407 54.840 -0.016 0.000 0.856 137 L CB -0.537 41.517 42.059 -0.009 0.000 0.985 137 L HN 0.597 8.827 8.230 -0.000 0.000 0.456 138 c N -0.534 118.048 118.600 -0.029 0.000 2.539 138 c HA 0.513 5.085 4.570 0.004 0.000 0.392 138 c C 0.607 174.697 174.090 0.001 0.000 1.269 138 c CA -0.921 55.402 56.329 -0.009 0.000 2.250 138 c CB 1.106 43.586 42.510 -0.052 0.000 2.584 138 c HN 0.009 8.239 8.230 -0.000 0.000 0.589 139 V N 2.354 122.312 119.914 0.073 0.000 2.815 139 V HA 0.913 5.035 4.120 0.004 0.000 0.314 139 V C 0.463 176.687 176.094 0.217 0.000 1.064 139 V CA 0.521 62.859 62.300 0.064 0.000 0.952 139 V CB 1.187 32.974 31.823 -0.061 0.000 1.020 139 V HN 1.438 9.628 8.190 -0.000 0.000 0.439 140 G N 2.312 111.187 108.800 0.124 0.000 2.705 140 G HA2 0.069 4.032 3.960 0.004 0.000 0.686 140 G HA3 0.069 4.032 3.960 0.004 0.000 0.686 140 G C -1.209 173.794 174.900 0.171 0.000 1.285 140 G CA -0.353 44.857 45.100 0.183 0.000 0.800 140 G HN 0.972 9.262 8.290 -0.000 0.000 0.611 141 V N 1.649 121.629 119.914 0.109 0.000 2.823 141 V HA 0.547 4.669 4.120 0.004 0.000 0.312 141 V C -0.159 175.967 176.094 0.053 0.000 1.072 141 V CA -0.585 61.753 62.300 0.063 0.000 0.937 141 V CB 1.987 33.773 31.823 -0.062 0.000 1.013 141 V HN 0.960 9.150 8.190 -0.000 0.000 0.430 142 D N 2.950 123.378 120.400 0.046 0.000 2.344 142 D HA 0.253 4.895 4.640 0.004 0.000 0.253 142 D C 1.038 177.458 176.300 0.200 0.000 1.255 142 D CA 0.362 54.439 54.000 0.128 0.000 0.894 142 D CB 1.709 42.575 40.800 0.110 0.000 1.067 142 D HN 0.664 9.034 8.370 -0.000 0.000 0.492 143 A N 4.496 127.460 122.820 0.241 0.000 2.076 143 A HA -0.223 4.099 4.320 0.004 0.000 0.220 143 A C 1.698 179.522 177.584 0.400 0.000 1.160 143 A CA 0.949 53.120 52.037 0.224 0.000 0.653 143 A CB -0.223 18.900 19.000 0.204 0.000 0.801 143 A HN 0.539 8.689 8.150 -0.000 0.000 0.455 144 N N -0.662 118.300 118.700 0.436 0.000 2.378 144 N HA 0.111 4.854 4.740 0.004 0.000 0.243 144 N C 0.651 176.404 175.510 0.405 0.000 1.137 144 N CA 0.028 53.353 53.050 0.458 0.000 0.862 144 N CB 0.050 38.723 38.487 0.310 0.000 1.116 144 N HN 0.204 8.584 8.380 -0.000 0.000 0.499 145 R N -1.049 119.682 120.500 0.385 0.000 2.526 145 R HA 0.209 4.551 4.340 0.004 0.000 0.346 145 R C 0.386 176.886 176.300 0.333 0.000 0.926 145 R CA -0.104 56.169 56.100 0.287 0.000 1.147 145 R CB -0.394 30.016 30.300 0.183 0.000 1.629 145 R HN 0.256 8.526 8.270 -0.000 0.000 0.516 146 N N -0.277 118.639 118.700 0.359 0.000 2.236 146 N HA 0.018 4.760 4.740 0.004 0.000 0.196 146 N C -0.548 175.010 175.510 0.079 0.000 1.114 146 N CA -0.095 53.092 53.050 0.228 0.000 0.859 146 N CB 0.459 38.930 38.487 -0.027 0.000 0.982 146 N HN -0.039 8.341 8.380 -0.000 0.000 0.493 147 W N 1.121 122.465 121.300 0.073 0.000 2.215 147 W HA 0.184 4.847 4.660 0.004 0.000 0.342 147 W C 0.627 177.159 176.519 0.021 0.000 1.237 147 W CA -0.503 56.811 57.345 -0.053 0.000 1.283 147 W CB 0.236 29.677 29.460 -0.032 0.000 1.131 147 W HN -0.057 8.123 8.180 -0.000 0.000 0.606 148 D N 1.685 122.188 120.400 0.173 0.000 2.688 148 D HA 0.363 5.006 4.640 0.004 0.000 0.228 148 D C -0.829 175.623 176.300 0.253 0.000 1.116 148 D CA 0.205 54.310 54.000 0.175 0.000 1.023 148 D CB -0.604 40.281 40.800 0.141 0.000 1.100 148 D HN 0.355 8.725 8.370 -0.000 0.000 0.487 149 A N 1.062 123.955 122.820 0.121 0.000 2.768 149 A HA 0.575 4.897 4.320 0.004 0.000 0.298 149 A C 0.911 178.137 177.584 -0.597 0.000 1.159 149 A CA -0.285 51.633 52.037 -0.198 0.000 0.783 149 A CB 0.465 19.494 19.000 0.048 0.000 1.333 149 A HN 0.442 8.592 8.150 -0.000 0.000 0.412 150 G N 0.907 109.254 108.800 -0.755 0.000 2.198 150 G HA2 -0.224 3.738 3.960 0.004 0.000 0.260 150 G HA3 -0.224 3.738 3.960 0.004 0.000 0.260 150 G C 0.148 174.942 174.900 -0.177 0.000 1.025 150 G CA 0.419 45.173 45.100 -0.576 0.000 0.769 150 G HN 1.743 10.033 8.290 -0.000 0.000 0.507 151 F N 0.669 120.501 119.950 -0.198 0.000 2.629 151 F HA 0.354 4.883 4.527 0.003 0.000 0.377 151 F C 1.640 177.319 175.800 -0.202 0.000 1.101 151 F CA 1.754 59.662 58.000 -0.154 0.000 1.301 151 F CB 0.497 39.422 39.000 -0.126 0.000 1.062 151 F HN 1.132 9.432 8.300 -0.000 0.000 0.583 152 G N 3.730 111.709 108.800 -1.367 0.000 2.245 152 G HA2 -0.324 3.638 3.960 0.004 0.000 0.264 152 G HA3 -0.324 3.638 3.960 0.004 0.000 0.264 152 G C 0.605 175.247 174.900 -0.430 0.000 0.985 152 G CA 0.448 44.876 45.100 -1.121 0.000 0.625 152 G HN 0.721 9.011 8.290 -0.000 0.000 0.536 153 K N 0.706 120.953 120.400 -0.255 0.000 2.140 153 K HA 0.653 4.975 4.320 0.004 0.000 0.237 153 K C 1.136 177.704 176.600 -0.054 0.000 1.045 153 K CA -0.243 55.988 56.287 -0.095 0.000 0.896 153 K CB 0.376 32.865 32.500 -0.018 0.000 1.122 153 K HN 0.632 8.882 8.250 -0.000 0.000 0.503 154 A N 0.089 122.901 122.820 -0.013 0.000 2.561 154 A HA 0.320 4.642 4.320 0.004 0.000 0.234 154 A C 1.035 178.620 177.584 0.000 0.000 1.055 154 A CA 1.040 53.073 52.037 -0.007 0.000 0.756 154 A CB -0.838 18.162 19.000 -0.000 0.000 0.986 154 A HN 0.881 9.031 8.150 -0.000 0.000 0.505 155 G N -0.334 108.450 108.800 -0.027 0.000 2.168 155 G HA2 0.381 4.343 3.960 0.004 0.000 0.197 155 G HA3 0.381 4.343 3.960 0.004 0.000 0.197 155 G C 0.112 174.994 174.900 -0.030 0.000 0.997 155 G CA 0.372 45.447 45.100 -0.041 0.000 0.658 155 G HN 2.455 10.745 8.290 -0.000 0.000 0.513 156 A N -0.837 121.976 122.820 -0.012 0.000 2.574 156 A HA 0.909 5.231 4.320 0.004 0.000 0.297 156 A C -0.185 177.412 177.584 0.022 0.000 1.062 156 A CA 0.550 52.601 52.037 0.024 0.000 0.686 156 A CB 1.404 20.454 19.000 0.083 0.000 1.285 156 A HN 1.601 9.751 8.150 -0.000 0.000 0.403 157 S N -0.152 115.524 115.700 -0.041 0.000 2.585 157 S HA 0.507 4.979 4.470 0.004 0.000 0.277 157 S C 1.148 175.624 174.600 -0.207 0.000 1.241 157 S CA 0.247 58.403 58.200 -0.074 0.000 1.041 157 S CB 0.891 64.056 63.200 -0.059 0.000 0.987 157 S HN 1.655 9.965 8.310 -0.000 0.000 0.512 158 S N 1.886 117.518 115.700 -0.113 0.000 2.540 158 S HA 0.153 4.625 4.470 0.004 0.000 0.218 158 S C 0.464 175.031 174.600 -0.055 0.000 0.977 158 S CA -0.080 58.063 58.200 -0.095 0.000 0.918 158 S CB -0.347 62.894 63.200 0.067 0.000 0.806 158 S HN 0.787 9.097 8.310 -0.000 0.000 0.496 159 S N 1.834 117.459 115.700 -0.126 0.000 2.465 159 S HA 0.460 4.932 4.470 0.004 0.000 0.279 159 S C -2.137 172.132 174.600 -0.552 0.000 1.201 159 S CA -1.214 56.837 58.200 -0.249 0.000 1.053 159 S CB 1.220 64.325 63.200 -0.159 0.000 0.953 159 S HN -0.024 8.286 8.310 -0.000 0.000 0.488 160 P HA -0.016 4.404 4.420 -0.000 0.000 0.219 160 P C 0.678 177.649 177.300 -0.548 0.000 1.146 160 P CA 0.804 63.138 63.100 -1.277 0.000 0.808 160 P CB -0.084 31.146 31.700 -0.783 0.000 0.779 161 c N -2.046 116.363 118.600 -0.319 0.000 2.562 161 c HA 0.162 4.734 4.570 0.004 0.000 0.266 161 c C 1.556 175.564 174.090 -0.136 0.000 1.382 161 c CA -0.100 56.131 56.329 -0.164 0.000 1.742 161 c CB -1.552 40.891 42.510 -0.112 0.000 1.812 161 c HN 0.216 8.446 8.230 -0.000 0.000 0.559 162 S N 0.602 116.212 115.700 -0.149 0.000 2.585 162 S HA 0.059 4.531 4.470 0.004 0.000 0.273 162 S C 0.994 175.530 174.600 -0.107 0.000 1.339 162 S CA -0.188 57.949 58.200 -0.105 0.000 1.028 162 S CB 0.584 63.735 63.200 -0.081 0.000 0.906 162 S HN 0.582 8.892 8.310 -0.000 0.000 0.528 163 E N 1.457 121.576 120.200 -0.135 0.000 2.347 163 E HA -0.063 4.289 4.350 0.004 0.000 0.196 163 E C 0.862 177.377 176.600 -0.142 0.000 1.008 163 E CA 0.764 57.047 56.400 -0.195 0.000 0.852 163 E CB 0.166 29.755 29.700 -0.186 0.000 0.783 163 E HN 0.645 9.005 8.360 -0.000 0.000 0.505 164 T N -0.428 114.081 114.554 -0.075 0.000 3.252 164 T HA 0.018 4.370 4.350 0.004 0.000 0.286 164 T C -0.660 174.039 174.700 -0.001 0.000 1.013 164 T CA -0.555 61.524 62.100 -0.035 0.000 0.914 164 T CB -0.295 68.544 68.868 -0.047 0.000 1.131 164 T HN 0.127 8.367 8.240 -0.000 0.000 0.529 165 Y N 3.511 123.721 120.300 -0.151 0.000 2.721 165 Y HA 0.105 4.657 4.550 0.003 0.000 0.329 165 Y C 1.246 177.060 175.900 -0.142 0.000 1.211 165 Y CA -0.319 57.646 58.100 -0.224 0.000 1.512 165 Y CB 0.380 38.728 38.460 -0.187 0.000 1.249 165 Y HN 0.464 8.744 8.280 -0.000 0.000 0.549 166 H N 3.551 122.371 119.070 -0.416 0.000 2.548 166 H HA 0.407 4.965 4.556 0.003 0.000 0.268 166 H C 1.039 176.101 175.328 -0.443 0.000 0.975 166 H CA -0.239 55.584 56.048 -0.375 0.000 1.195 166 H CB -0.439 29.061 29.762 -0.437 0.000 1.397 166 H HN 0.906 9.186 8.280 -0.000 0.000 0.572 167 G N 0.302 108.435 108.800 -1.111 0.000 2.712 167 G HA2 -0.241 3.721 3.960 0.004 0.000 0.683 167 G HA3 -0.241 3.721 3.960 0.004 0.000 0.683 167 G C 0.382 175.233 174.900 -0.081 0.000 1.320 167 G CA -0.211 44.486 45.100 -0.673 0.000 0.847 167 G HN 0.293 8.583 8.290 -0.000 0.000 0.553 168 K N -0.629 119.721 120.400 -0.083 0.000 2.097 168 K HA 0.074 4.396 4.320 0.004 0.000 0.205 168 K C 0.818 177.519 176.600 0.169 0.000 1.050 168 K CA 2.227 58.569 56.287 0.092 0.000 0.938 168 K CB -0.077 32.461 32.500 0.063 0.000 0.718 168 K HN 0.746 8.996 8.250 -0.000 0.000 0.442 169 Y N -3.492 116.784 120.300 -0.041 0.000 2.656 169 Y HA 0.539 5.091 4.550 0.003 0.000 0.334 169 Y C -1.155 174.174 175.900 -0.951 0.000 1.179 169 Y CA -2.106 55.728 58.100 -0.443 0.000 1.050 169 Y CB 0.567 38.875 38.460 -0.254 0.000 1.308 169 Y HN -0.155 8.125 8.280 -0.000 0.000 0.456 170 A N 1.800 123.822 122.820 -1.329 0.000 2.567 170 A HA 0.242 4.564 4.320 0.004 0.000 0.240 170 A C 0.446 177.784 177.584 -0.410 0.000 1.053 170 A CA 0.695 52.130 52.037 -1.004 0.000 0.755 170 A CB -1.223 17.362 19.000 -0.691 0.000 0.978 170 A HN 1.082 9.232 8.150 -0.000 0.000 0.507 171 N N 0.416 118.860 118.700 -0.426 0.000 2.776 171 N HA -0.254 4.488 4.740 0.004 0.000 0.250 171 N C 1.060 176.414 175.510 -0.260 0.000 1.112 171 N CA 0.664 53.489 53.050 -0.376 0.000 0.733 171 N CB -1.386 36.915 38.487 -0.309 0.000 1.097 171 N HN 0.968 9.348 8.380 -0.000 0.000 0.558 172 S N -0.750 114.711 115.700 -0.398 0.000 2.402 172 S HA -0.094 4.378 4.470 0.004 0.000 0.229 172 S C 0.650 175.100 174.600 -0.252 0.000 1.021 172 S CA 0.660 58.562 58.200 -0.497 0.000 0.974 172 S CB 0.239 62.848 63.200 -0.984 0.000 0.800 172 S HN 0.205 8.515 8.310 -0.000 0.000 0.484 173 E N 1.552 121.608 120.200 -0.241 0.000 2.259 173 E HA 0.208 4.560 4.350 0.004 0.000 0.281 173 E C 0.957 177.482 176.600 -0.125 0.000 1.037 173 E CA -0.157 56.155 56.400 -0.145 0.000 0.854 173 E CB 1.624 31.244 29.700 -0.134 0.000 1.051 173 E HN 0.102 8.462 8.360 -0.000 0.000 0.409 174 V N 3.737 123.631 119.914 -0.035 0.000 2.490 174 V HA -0.296 3.826 4.120 0.004 0.000 0.250 174 V C 1.377 177.442 176.094 -0.049 0.000 1.061 174 V CA 2.061 64.344 62.300 -0.028 0.000 1.064 174 V CB -0.033 31.809 31.823 0.031 0.000 0.670 174 V HN 0.544 8.734 8.190 -0.000 0.000 0.461 175 E N -0.231 119.952 120.200 -0.027 0.000 2.110 175 E HA -0.144 4.208 4.350 0.004 0.000 0.193 175 E C 2.065 178.611 176.600 -0.090 0.000 0.988 175 E CA 1.598 57.994 56.400 -0.007 0.000 0.804 175 E CB -0.307 29.424 29.700 0.052 0.000 0.745 175 E HN 0.556 8.916 8.360 -0.000 0.000 0.458 176 V N 0.584 120.350 119.914 -0.245 0.000 2.346 176 V HA -0.158 3.964 4.120 0.004 0.000 0.244 176 V C 2.212 177.937 176.094 -0.615 0.000 1.037 176 V CA 1.443 63.386 62.300 -0.595 0.000 1.029 176 V CB -0.318 30.973 31.823 -0.886 0.000 0.663 176 V HN 0.151 8.341 8.190 -0.000 0.000 0.454 177 K N 0.134 120.286 120.400 -0.415 0.000 2.147 177 K HA -0.166 4.156 4.320 0.004 0.000 0.205 177 K C 2.360 178.840 176.600 -0.199 0.000 1.049 177 K CA 1.605 57.702 56.287 -0.317 0.000 0.936 177 K CB -0.151 32.235 32.500 -0.190 0.000 0.722 177 K HN 0.415 8.665 8.250 -0.000 0.000 0.446 178 S N 0.984 116.607 115.700 -0.127 0.000 2.370 178 S HA -0.130 4.342 4.470 0.004 0.000 0.226 178 S C 1.823 176.416 174.600 -0.012 0.000 1.033 178 S CA 1.264 59.445 58.200 -0.031 0.000 1.011 178 S CB -0.171 63.031 63.200 0.003 0.000 0.852 178 S HN 0.272 8.582 8.310 -0.000 0.000 0.457 179 I N 0.778 121.299 120.570 -0.083 0.000 2.233 179 I HA -0.111 4.061 4.170 0.004 0.000 0.243 179 I C 2.185 178.218 176.117 -0.140 0.000 1.093 179 I CA 0.715 61.944 61.300 -0.118 0.000 1.380 179 I CB -0.499 37.484 38.000 -0.028 0.000 1.067 179 I HN 0.123 8.333 8.210 -0.000 0.000 0.413 180 V N 1.138 120.879 119.914 -0.288 0.000 2.282 180 V HA -0.331 3.791 4.120 0.004 0.000 0.249 180 V C 2.105 178.199 176.094 -0.000 0.000 1.057 180 V CA 2.159 64.277 62.300 -0.304 0.000 1.032 180 V CB -0.710 30.773 31.823 -0.566 0.000 0.645 180 V HN 0.424 8.614 8.190 -0.000 0.000 0.447 181 D N -0.785 119.611 120.400 -0.006 0.000 2.117 181 D HA -0.177 4.465 4.640 0.004 0.000 0.197 181 D C 1.902 178.280 176.300 0.131 0.000 0.987 181 D CA 1.336 55.376 54.000 0.066 0.000 0.829 181 D CB -0.336 40.497 40.800 0.054 0.000 0.961 181 D HN 0.477 8.847 8.370 -0.000 0.000 0.460 182 F N 1.353 121.309 119.950 0.009 0.000 2.146 182 F HA -0.185 4.345 4.527 0.004 0.000 0.298 182 F C 2.221 178.073 175.800 0.087 0.000 1.096 182 F CA 0.945 58.975 58.000 0.051 0.000 1.275 182 F CB -0.076 38.945 39.000 0.035 0.000 1.008 182 F HN -0.231 8.069 8.300 -0.000 0.000 0.480 183 V N 0.447 120.455 119.914 0.157 0.000 2.358 183 V HA -0.280 3.842 4.120 0.004 0.000 0.246 183 V C 2.380 178.605 176.094 0.217 0.000 1.047 183 V CA 2.007 64.374 62.300 0.111 0.000 1.035 183 V CB -0.644 31.203 31.823 0.041 0.000 0.658 183 V HN 0.244 8.434 8.190 -0.000 0.000 0.452 184 K N 0.027 120.550 120.400 0.205 0.000 2.057 184 K HA -0.158 4.164 4.320 0.004 0.000 0.207 184 K C 2.124 178.782 176.600 0.097 0.000 1.049 184 K CA 1.537 57.922 56.287 0.163 0.000 0.931 184 K CB -0.257 32.343 32.500 0.166 0.000 0.714 184 K HN 0.407 8.657 8.250 -0.000 0.000 0.440 185 N N 0.417 119.147 118.700 0.050 0.000 2.120 185 N HA -0.184 4.558 4.740 0.004 0.000 0.188 185 N C 1.708 177.200 175.510 -0.031 0.000 1.024 185 N CA 1.311 54.355 53.050 -0.011 0.000 0.852 185 N CB -0.528 37.926 38.487 -0.055 0.000 1.003 185 N HN 0.342 8.722 8.380 -0.000 0.000 0.424 186 H N -0.363 118.617 119.070 -0.150 0.000 2.290 186 H HA -0.042 4.516 4.556 0.003 0.000 0.298 186 H C 1.351 176.658 175.328 -0.035 0.000 1.087 186 H CA 2.390 58.352 56.048 -0.143 0.000 1.291 186 H CB -0.469 29.226 29.762 -0.112 0.000 1.369 186 H HN 0.329 8.609 8.280 -0.000 0.000 0.492 187 G N -0.215 108.728 108.800 0.239 0.000 2.196 187 G HA2 -0.379 3.583 3.960 0.004 0.000 0.268 187 G HA3 -0.379 3.583 3.960 0.004 0.000 0.268 187 G C 0.716 175.730 174.900 0.191 0.000 0.975 187 G CA 0.838 46.034 45.100 0.160 0.000 0.648 187 G HN 0.599 8.889 8.290 -0.000 0.000 0.538 188 N N -0.604 118.323 118.700 0.377 0.000 2.497 188 N HA 0.394 5.136 4.740 0.004 0.000 0.284 188 N C -0.352 175.271 175.510 0.190 0.000 1.459 188 N CA -0.569 52.624 53.050 0.240 0.000 0.899 188 N CB 0.038 38.576 38.487 0.085 0.000 1.316 188 N HN 0.169 8.549 8.380 -0.000 0.000 0.500 189 F N 0.680 120.771 119.950 0.235 0.000 2.412 189 F HA 0.319 4.848 4.527 0.003 0.000 0.348 189 F C 1.663 177.589 175.800 0.210 0.000 1.102 189 F CA -0.112 58.004 58.000 0.193 0.000 1.196 189 F CB 1.331 40.446 39.000 0.192 0.000 1.144 189 F HN -0.115 8.185 8.300 -0.000 0.000 0.541 190 K N 1.976 122.622 120.400 0.409 0.000 2.399 190 K HA 0.423 4.745 4.320 0.004 0.000 0.196 190 K C -0.137 176.759 176.600 0.494 0.000 1.103 190 K CA 0.253 56.764 56.287 0.372 0.000 0.986 190 K CB 0.814 33.496 32.500 0.303 0.000 0.952 190 K HN 0.504 8.754 8.250 -0.000 0.000 0.541 191 A N 0.849 123.998 122.820 0.549 0.000 2.475 191 A HA 0.722 5.044 4.320 0.004 0.000 0.301 191 A C -1.822 176.160 177.584 0.664 0.000 1.059 191 A CA -0.564 51.828 52.037 0.591 0.000 0.710 191 A CB 1.225 20.527 19.000 0.505 0.000 1.288 191 A HN 0.104 8.254 8.150 -0.000 0.000 0.408 192 F N 2.438 122.664 119.950 0.460 0.000 2.745 192 F HA 0.632 5.161 4.527 0.003 0.000 0.343 192 F C -1.909 174.177 175.800 0.477 0.000 1.196 192 F CA -0.723 57.554 58.000 0.462 0.000 1.021 192 F CB 1.357 40.525 39.000 0.280 0.000 1.297 192 F HN 0.352 8.652 8.300 -0.000 0.000 0.486 193 L N 4.480 125.949 121.223 0.410 0.000 2.325 193 L HA 0.531 4.873 4.340 0.004 0.000 0.281 193 L C -0.234 176.833 176.870 0.328 0.000 1.004 193 L CA -0.542 54.577 54.840 0.465 0.000 0.823 193 L CB 1.700 44.046 42.059 0.480 0.000 1.236 193 L HN 0.522 8.752 8.230 -0.000 0.000 0.415 194 S N 4.460 120.421 115.700 0.436 0.000 2.498 194 S HA 0.730 5.202 4.470 0.004 0.000 0.317 194 S C -0.476 174.392 174.600 0.447 0.000 1.090 194 S CA -0.508 57.919 58.200 0.377 0.000 1.089 194 S CB 0.381 63.850 63.200 0.448 0.000 0.997 194 S HN 0.421 8.731 8.310 -0.000 0.000 0.470 195 I N 5.930 126.674 120.570 0.291 0.000 2.359 195 I HA 0.484 4.656 4.170 0.004 0.000 0.294 195 I C 0.441 176.654 176.117 0.159 0.000 0.987 195 I CA -0.597 60.891 61.300 0.313 0.000 1.225 195 I CB 1.082 39.198 38.000 0.193 0.000 1.366 195 I HN 0.643 8.853 8.210 -0.000 0.000 0.466 196 H N 3.080 122.316 119.070 0.277 0.000 2.960 196 H HA 0.667 5.225 4.556 0.004 0.000 0.303 196 H C -0.792 174.714 175.328 0.297 0.000 1.412 196 H CA -0.799 55.415 56.048 0.276 0.000 1.227 196 H CB 2.362 32.287 29.762 0.272 0.000 1.912 196 H HN 0.593 8.873 8.280 -0.000 0.000 0.583 197 S N -0.059 115.933 115.700 0.486 0.000 2.547 197 S HA 0.504 4.976 4.470 0.004 0.000 0.270 197 S C -1.624 173.234 174.600 0.430 0.000 1.150 197 S CA -0.884 57.570 58.200 0.424 0.000 0.850 197 S CB 1.719 65.187 63.200 0.446 0.000 1.118 197 S HN 0.637 8.947 8.310 -0.000 0.000 0.461 198 Y N -0.866 119.539 120.300 0.174 0.000 2.662 198 Y HA 0.937 5.489 4.550 0.003 0.000 0.335 198 Y C 0.739 176.633 175.900 -0.009 0.000 1.066 198 Y CA -0.764 57.368 58.100 0.053 0.000 1.116 198 Y CB 1.334 39.753 38.460 -0.069 0.000 1.308 198 Y HN 0.788 9.068 8.280 -0.000 0.000 0.502 199 S N -1.605 114.110 115.700 0.024 0.000 4.147 199 S HA -0.127 4.345 4.470 0.004 0.000 0.104 199 S C -0.552 173.945 174.600 -0.172 0.000 0.835 199 S CA 0.111 58.256 58.200 -0.093 0.000 1.039 199 S CB -0.873 62.203 63.200 -0.206 0.000 0.602 199 S HN 0.808 9.118 8.310 -0.000 0.000 0.742 200 Q N 0.529 120.155 119.800 -0.291 0.000 2.451 200 Q HA -0.157 4.185 4.340 0.004 0.000 0.334 200 Q C -1.091 174.434 176.000 -0.791 0.000 1.462 200 Q CA 0.929 56.163 55.803 -0.949 0.000 0.876 200 Q CB -1.404 26.860 28.738 -0.790 0.000 1.125 200 Q HN 0.628 8.898 8.270 -0.000 0.000 0.358 201 L N 0.553 121.604 121.223 -0.287 0.000 2.388 201 L HA 0.734 5.076 4.340 0.004 0.000 0.264 201 L C -0.460 176.560 176.870 0.251 0.000 0.998 201 L CA -0.915 53.945 54.840 0.034 0.000 0.817 201 L CB 1.937 43.969 42.059 -0.044 0.000 1.338 201 L HN 0.235 8.465 8.230 -0.000 0.000 0.414 202 L N 3.307 124.651 121.223 0.200 0.000 2.342 202 L HA 0.546 4.888 4.340 0.004 0.000 0.276 202 L C -1.576 175.337 176.870 0.072 0.000 0.997 202 L CA -0.619 54.216 54.840 -0.009 0.000 0.838 202 L CB 1.402 43.391 42.059 -0.117 0.000 1.224 202 L HN 0.405 8.635 8.230 -0.000 0.000 0.416 203 L N 5.113 126.372 121.223 0.061 0.000 2.333 203 L HA 0.612 4.954 4.340 0.004 0.000 0.269 203 L C -0.482 176.481 176.870 0.155 0.000 1.010 203 L CA -0.559 54.291 54.840 0.017 0.000 0.818 203 L CB 1.605 43.629 42.059 -0.059 0.000 1.306 203 L HN 0.440 8.670 8.230 -0.000 0.000 0.430 204 Y N -0.593 119.716 120.300 0.014 0.000 2.634 204 Y HA 0.856 5.408 4.550 0.003 0.000 0.340 204 Y C -2.815 172.941 175.900 -0.239 0.000 1.058 204 Y CA -3.480 54.509 58.100 -0.185 0.000 1.081 204 Y CB 0.295 38.580 38.460 -0.291 0.000 1.295 204 Y HN 0.383 8.663 8.280 -0.000 0.000 0.487 205 P HA 0.088 4.508 4.420 -0.000 0.000 0.268 205 P C -1.338 175.764 177.300 -0.329 0.000 1.208 205 P CA 0.529 63.426 63.100 -0.338 0.000 0.777 205 P CB 0.313 31.545 31.700 -0.779 0.000 0.875 206 Y N -0.690 119.516 120.300 -0.157 0.000 2.631 206 Y HA 0.578 5.130 4.550 0.003 0.000 0.328 206 Y C 1.709 177.537 175.900 -0.121 0.000 1.118 206 Y CA -0.087 57.921 58.100 -0.153 0.000 1.206 206 Y CB 0.870 39.144 38.460 -0.310 0.000 1.337 206 Y HN 0.411 8.691 8.280 -0.000 0.000 0.515 207 G N -1.055 107.850 108.800 0.175 0.000 2.728 207 G HA2 -0.100 3.862 3.960 0.004 0.000 0.203 207 G HA3 -0.100 3.862 3.960 0.004 0.000 0.203 207 G C 0.866 175.850 174.900 0.141 0.000 1.073 207 G CA 0.213 45.389 45.100 0.127 0.000 0.778 207 G HN 0.725 9.015 8.290 -0.000 0.000 0.553 208 Y N 0.516 120.857 120.300 0.068 0.000 2.517 208 Y HA 0.470 5.022 4.550 0.004 0.000 0.281 208 Y C 0.657 176.541 175.900 -0.027 0.000 1.125 208 Y CA 0.371 58.477 58.100 0.010 0.000 1.283 208 Y CB -0.069 38.383 38.460 -0.013 0.000 1.042 208 Y HN 0.022 8.302 8.280 -0.000 0.000 0.547 209 T N -0.176 114.072 114.554 -0.511 0.000 2.900 209 T HA 0.281 4.633 4.350 0.004 0.000 0.303 209 T C 0.715 175.301 174.700 -0.191 0.000 1.142 209 T CA -0.046 61.822 62.100 -0.386 0.000 1.007 209 T CB 1.501 69.975 68.868 -0.656 0.000 1.156 209 T HN 0.262 8.502 8.240 -0.000 0.000 0.490 210 T N 0.565 115.060 114.554 -0.099 0.000 3.148 210 T HA 0.114 4.466 4.350 0.004 0.000 0.253 210 T C 0.837 175.526 174.700 -0.020 0.000 1.134 210 T CA 0.153 62.227 62.100 -0.044 0.000 1.051 210 T CB -0.156 68.696 68.868 -0.027 0.000 0.959 210 T HN 0.550 8.790 8.240 -0.000 0.000 0.525 211 Q N 2.460 122.241 119.800 -0.032 0.000 2.286 211 Q HA 0.204 4.546 4.340 0.004 0.000 0.290 211 Q C -0.615 175.444 176.000 0.099 0.000 1.049 211 Q CA 0.148 55.967 55.803 0.026 0.000 0.923 211 Q CB 0.342 29.086 28.738 0.009 0.000 1.183 211 Q HN 0.318 8.588 8.270 -0.000 0.000 0.383 212 S N 4.733 120.471 115.700 0.063 0.000 2.523 212 S HA 0.362 4.834 4.470 0.004 0.000 0.275 212 S C 0.181 174.794 174.600 0.022 0.000 1.281 212 S CA -0.648 57.572 58.200 0.035 0.000 1.050 212 S CB -0.051 63.162 63.200 0.021 0.000 0.937 212 S HN 0.662 8.972 8.310 -0.000 0.000 0.492 213 I N 1.018 121.524 120.570 -0.106 0.000 2.836 213 I HA 0.240 4.412 4.170 0.004 0.000 0.285 213 I C -1.999 174.086 176.117 -0.053 0.000 1.174 213 I CA -1.721 59.473 61.300 -0.176 0.000 1.405 213 I CB -0.005 37.614 38.000 -0.634 0.000 1.385 213 I HN 0.343 8.553 8.210 -0.000 0.000 0.594 214 P HA -0.100 4.320 4.420 -0.000 0.000 0.220 214 P C 0.297 177.597 177.300 0.001 0.000 1.148 214 P CA 1.263 64.385 63.100 0.037 0.000 0.803 214 P CB 0.053 31.792 31.700 0.065 0.000 0.782 215 D N -1.008 119.382 120.400 -0.017 0.000 2.395 215 D HA 0.008 4.650 4.640 0.004 0.000 0.226 215 D C 1.495 177.692 176.300 -0.172 0.000 1.146 215 D CA -0.004 53.953 54.000 -0.070 0.000 0.830 215 D CB 0.123 40.894 40.800 -0.049 0.000 0.958 215 D HN 0.253 8.623 8.370 -0.000 0.000 0.501 216 K N 0.961 121.259 120.400 -0.171 0.000 2.044 216 K HA -0.169 4.153 4.320 0.004 0.000 0.210 216 K C 1.602 178.090 176.600 -0.185 0.000 1.049 216 K CA 1.430 57.591 56.287 -0.210 0.000 0.927 216 K CB 0.115 32.569 32.500 -0.076 0.000 0.713 216 K HN -0.092 8.158 8.250 -0.000 0.000 0.443 217 T N 0.791 115.292 114.554 -0.089 0.000 2.720 217 T HA -0.186 4.166 4.350 0.004 0.000 0.268 217 T C 1.701 176.366 174.700 -0.059 0.000 1.037 217 T CA 1.753 63.823 62.100 -0.050 0.000 1.144 217 T CB -0.193 68.666 68.868 -0.015 0.000 0.864 217 T HN 0.464 8.704 8.240 -0.000 0.000 0.444 218 E N 0.285 120.454 120.200 -0.052 0.000 2.046 218 E HA -0.100 4.252 4.350 0.004 0.000 0.190 218 E C 2.031 178.600 176.600 -0.051 0.000 0.982 218 E CA 0.758 57.156 56.400 -0.003 0.000 0.800 218 E CB -0.089 29.662 29.700 0.085 0.000 0.756 218 E HN 0.230 8.590 8.360 -0.000 0.000 0.449 219 L N 1.962 123.096 121.223 -0.148 0.000 2.083 219 L HA -0.176 4.166 4.340 0.004 0.000 0.209 219 L C 2.300 179.020 176.870 -0.250 0.000 1.083 219 L CA 1.470 56.204 54.840 -0.178 0.000 0.752 219 L CB -0.929 40.802 42.059 -0.547 0.000 0.899 219 L HN 0.287 8.517 8.230 -0.000 0.000 0.433 220 N N -0.467 118.013 118.700 -0.368 0.000 2.166 220 N HA -0.251 4.491 4.740 0.004 0.000 0.186 220 N C 1.929 177.408 175.510 -0.052 0.000 1.019 220 N CA 1.185 54.181 53.050 -0.089 0.000 0.856 220 N CB 0.204 38.724 38.487 0.054 0.000 0.993 220 N HN 0.330 8.710 8.380 -0.000 0.000 0.426 221 Q N 0.784 120.531 119.800 -0.089 0.000 2.123 221 Q HA 0.006 4.348 4.340 0.004 0.000 0.199 221 Q C 2.012 177.887 176.000 -0.208 0.000 0.966 221 Q CA 1.086 56.819 55.803 -0.116 0.000 0.845 221 Q CB -0.251 28.442 28.738 -0.075 0.000 0.907 221 Q HN 0.168 8.438 8.270 -0.000 0.000 0.439 222 V N 0.754 120.531 119.914 -0.229 0.000 2.343 222 V HA -0.245 3.877 4.120 0.004 0.000 0.247 222 V C 2.288 178.173 176.094 -0.350 0.000 1.051 222 V CA 1.745 63.846 62.300 -0.331 0.000 1.036 222 V CB -1.297 30.358 31.823 -0.280 0.000 0.654 222 V HN 0.493 8.683 8.190 -0.000 0.000 0.451 223 A N -0.167 122.478 122.820 -0.292 0.000 1.902 223 A HA -0.278 4.044 4.320 0.004 0.000 0.217 223 A C 2.341 179.543 177.584 -0.636 0.000 1.181 223 A CA 2.239 54.046 52.037 -0.384 0.000 0.623 223 A CB -0.500 18.482 19.000 -0.029 0.000 0.818 223 A HN 0.539 8.689 8.150 -0.000 0.000 0.443 224 K N -0.193 119.756 120.400 -0.753 0.000 2.032 224 K HA -0.136 4.186 4.320 0.004 0.000 0.209 224 K C 2.221 178.586 176.600 -0.391 0.000 1.048 224 K CA 1.754 57.576 56.287 -0.776 0.000 0.927 224 K CB -0.217 32.031 32.500 -0.419 0.000 0.712 224 K HN 0.424 8.674 8.250 -0.000 0.000 0.441 225 S N 0.436 115.959 115.700 -0.295 0.000 2.368 225 S HA -0.120 4.352 4.470 0.004 0.000 0.225 225 S C 2.007 176.484 174.600 -0.205 0.000 1.030 225 S CA 1.115 59.190 58.200 -0.208 0.000 0.999 225 S CB -0.252 62.836 63.200 -0.187 0.000 0.844 225 S HN 0.530 8.840 8.310 -0.000 0.000 0.459 226 A N 1.070 123.738 122.820 -0.253 0.000 1.902 226 A HA -0.043 4.279 4.320 0.004 0.000 0.217 226 A C 2.325 179.806 177.584 -0.172 0.000 1.181 226 A CA 1.428 53.339 52.037 -0.209 0.000 0.623 226 A CB -0.887 17.963 19.000 -0.251 0.000 0.818 226 A HN 0.340 8.490 8.150 -0.000 0.000 0.443 227 V N -0.240 119.554 119.914 -0.201 0.000 2.407 227 V HA -0.234 3.888 4.120 0.004 0.000 0.248 227 V C 3.022 179.072 176.094 -0.074 0.000 1.055 227 V CA 1.877 64.104 62.300 -0.122 0.000 1.049 227 V CB -1.049 30.743 31.823 -0.051 0.000 0.662 227 V HN 0.623 8.813 8.190 -0.000 0.000 0.455 228 A N -0.155 122.612 122.820 -0.089 0.000 1.898 228 A HA -0.066 4.256 4.320 0.004 0.000 0.216 228 A C 2.422 179.969 177.584 -0.062 0.000 1.181 228 A CA 1.917 53.922 52.037 -0.054 0.000 0.620 228 A CB -0.717 18.246 19.000 -0.061 0.000 0.819 228 A HN 0.548 8.698 8.150 -0.000 0.000 0.442 229 A N -0.273 122.491 122.820 -0.092 0.000 1.877 229 A HA -0.071 4.251 4.320 0.004 0.000 0.216 229 A C 2.223 179.752 177.584 -0.091 0.000 1.186 229 A CA 1.521 53.499 52.037 -0.098 0.000 0.620 229 A CB -0.689 18.234 19.000 -0.127 0.000 0.822 229 A HN 0.631 8.781 8.150 -0.000 0.000 0.443 230 L N -0.493 120.670 121.223 -0.099 0.000 2.046 230 L HA -0.194 4.148 4.340 0.004 0.000 0.208 230 L C 2.510 179.356 176.870 -0.039 0.000 1.077 230 L CA 2.329 57.113 54.840 -0.093 0.000 0.747 230 L CB -0.251 41.697 42.059 -0.185 0.000 0.896 230 L HN 0.487 8.717 8.230 -0.000 0.000 0.432 231 K N -0.421 119.970 120.400 -0.015 0.000 2.211 231 K HA -0.166 4.156 4.320 0.004 0.000 0.203 231 K C 2.155 178.759 176.600 0.007 0.000 1.050 231 K CA 1.315 57.625 56.287 0.039 0.000 0.945 231 K CB -0.089 32.447 32.500 0.059 0.000 0.732 231 K HN 0.537 8.787 8.250 -0.000 0.000 0.451 232 S N 0.584 116.265 115.700 -0.032 0.000 2.465 232 S HA -0.158 4.314 4.470 0.004 0.000 0.241 232 S C 1.862 176.400 174.600 -0.104 0.000 1.000 232 S CA 0.780 58.949 58.200 -0.053 0.000 0.964 232 S CB -0.297 62.866 63.200 -0.060 0.000 0.763 232 S HN 0.372 8.682 8.310 -0.000 0.000 0.512 233 L N -1.263 119.862 121.223 -0.163 0.000 2.071 233 L HA 0.141 4.483 4.340 0.004 0.000 0.201 233 L C 1.500 178.055 176.870 -0.525 0.000 1.076 233 L CA 1.254 55.853 54.840 -0.402 0.000 0.755 233 L CB -0.005 41.745 42.059 -0.516 0.000 0.915 233 L HN 0.346 8.576 8.230 -0.000 0.000 0.445 234 Y N -1.345 118.973 120.300 0.030 0.000 2.527 234 Y HA 0.364 4.916 4.550 0.004 0.000 0.247 234 Y C 1.239 177.165 175.900 0.044 0.000 1.138 234 Y CA 0.116 58.236 58.100 0.034 0.000 1.228 234 Y CB 0.746 39.227 38.460 0.034 0.000 1.252 234 Y HN 0.232 8.512 8.280 -0.000 0.000 0.531 235 G N 0.510 109.398 108.800 0.146 0.000 2.143 235 G HA2 -0.279 3.683 3.960 0.004 0.000 0.249 235 G HA3 -0.279 3.683 3.960 0.004 0.000 0.249 235 G C 0.153 175.141 174.900 0.148 0.000 0.981 235 G CA 0.299 45.472 45.100 0.122 0.000 0.665 235 G HN 0.221 8.511 8.290 -0.000 0.000 0.528 236 T N 1.785 116.456 114.554 0.195 0.000 2.817 236 T HA 0.430 4.782 4.350 0.004 0.000 0.295 236 T C 0.698 175.560 174.700 0.270 0.000 0.958 236 T CA 0.781 63.021 62.100 0.234 0.000 1.157 236 T CB 1.100 70.153 68.868 0.309 0.000 0.898 236 T HN 0.289 8.529 8.240 -0.000 0.000 0.536 237 S N 3.129 118.962 115.700 0.222 0.000 2.452 237 S HA 0.408 4.880 4.470 0.004 0.000 0.284 237 S C -0.771 173.982 174.600 0.256 0.000 1.171 237 S CA -0.539 57.790 58.200 0.216 0.000 1.064 237 S CB 0.098 63.370 63.200 0.121 0.000 0.967 237 S HN 0.514 8.824 8.310 -0.000 0.000 0.484 238 Y N 1.927 122.291 120.300 0.106 0.000 2.468 238 Y HA 0.495 5.047 4.550 0.003 0.000 0.342 238 Y C 0.287 176.263 175.900 0.126 0.000 1.021 238 Y CA -0.930 57.240 58.100 0.118 0.000 1.079 238 Y CB 1.351 39.896 38.460 0.141 0.000 1.226 238 Y HN 0.442 8.722 8.280 -0.000 0.000 0.460 239 K N 2.259 122.770 120.400 0.184 0.000 2.166 239 K HA 0.575 4.897 4.320 0.004 0.000 0.245 239 K C -1.623 175.076 176.600 0.166 0.000 0.967 239 K CA -0.686 55.655 56.287 0.089 0.000 0.863 239 K CB 1.597 34.069 32.500 -0.047 0.000 1.107 239 K HN 0.536 8.786 8.250 -0.000 0.000 0.436 240 Y N -2.205 118.112 120.300 0.029 0.000 2.588 240 Y HA 0.860 5.412 4.550 0.003 0.000 0.343 240 Y C -0.088 175.789 175.900 -0.038 0.000 1.065 240 Y CA -1.127 56.984 58.100 0.018 0.000 1.038 240 Y CB 1.744 40.250 38.460 0.077 0.000 1.297 240 Y HN 0.704 8.984 8.280 -0.000 0.000 0.467 241 G N 0.294 109.055 108.800 -0.065 0.000 2.343 241 G HA2 0.416 4.378 3.960 0.004 0.000 0.289 241 G HA3 0.416 4.378 3.960 0.004 0.000 0.289 241 G C -1.335 172.956 174.900 -1.015 0.000 1.295 241 G CA -0.584 44.270 45.100 -0.409 0.000 0.869 241 G HN 1.319 9.609 8.290 -0.000 0.000 0.522 242 S N -0.777 114.328 115.700 -0.993 0.000 2.585 242 S HA 0.458 4.931 4.470 0.004 0.000 0.273 242 S C 1.689 176.043 174.600 -0.410 0.000 1.339 242 S CA 0.082 57.802 58.200 -0.800 0.000 1.028 242 S CB 0.936 63.907 63.200 -0.381 0.000 0.906 242 S HN 0.694 9.004 8.310 -0.000 0.000 0.528 243 I N 1.477 121.880 120.570 -0.278 0.000 2.118 243 I HA -0.196 3.976 4.170 0.004 0.000 0.241 243 I C 2.421 178.451 176.117 -0.146 0.000 1.070 243 I CA 1.721 62.916 61.300 -0.175 0.000 1.327 243 I CB -0.375 37.580 38.000 -0.074 0.000 1.034 243 I HN 0.735 8.945 8.210 -0.000 0.000 0.405 244 I N -0.166 120.352 120.570 -0.086 0.000 2.454 244 I HA -0.300 3.872 4.170 0.004 0.000 0.254 244 I C 2.440 178.517 176.117 -0.066 0.000 1.156 244 I CA 1.558 62.834 61.300 -0.039 0.000 1.433 244 I CB 0.023 38.016 38.000 -0.012 0.000 1.082 244 I HN 0.255 8.465 8.210 -0.000 0.000 0.432 245 T N -1.200 113.287 114.554 -0.110 0.000 3.067 245 T HA -0.015 4.337 4.350 0.004 0.000 0.257 245 T C 1.523 176.143 174.700 -0.133 0.000 1.105 245 T CA 1.561 63.597 62.100 -0.107 0.000 1.104 245 T CB -0.025 68.776 68.868 -0.111 0.000 0.925 245 T HN 0.374 8.614 8.240 -0.000 0.000 0.498 246 T N 0.656 115.104 114.554 -0.177 0.000 3.033 246 T HA 0.361 4.713 4.350 0.004 0.000 0.248 246 T C 1.504 176.075 174.700 -0.215 0.000 1.040 246 T CA 0.375 62.361 62.100 -0.192 0.000 1.133 246 T CB 0.253 68.992 68.868 -0.215 0.000 0.895 246 T HN 0.306 8.546 8.240 -0.000 0.000 0.465 247 I N -0.836 119.560 120.570 -0.291 0.000 4.049 247 I HA 0.324 4.496 4.170 0.004 0.000 0.237 247 I C -0.051 175.835 176.117 -0.385 0.000 1.076 247 I CA -0.343 60.658 61.300 -0.499 0.000 1.610 247 I CB 0.513 37.974 38.000 -0.899 0.000 1.544 247 I HN 0.198 8.408 8.210 -0.000 0.000 0.458 248 Y N -0.692 119.581 120.300 -0.045 0.000 2.852 248 Y HA 0.360 4.912 4.550 0.003 0.000 0.350 248 Y C -0.773 175.116 175.900 -0.020 0.000 1.272 248 Y CA -2.037 56.044 58.100 -0.032 0.000 1.086 248 Y CB -0.059 38.385 38.460 -0.026 0.000 1.408 248 Y HN 0.065 8.345 8.280 -0.000 0.000 0.447 249 Q N 1.435 121.415 119.800 0.299 0.000 2.297 249 Q HA 0.639 4.981 4.340 0.004 0.000 0.267 249 Q C -1.038 175.093 176.000 0.219 0.000 1.006 249 Q CA 0.188 56.100 55.803 0.182 0.000 0.896 249 Q CB 0.543 29.332 28.738 0.084 0.000 1.186 249 Q HN 0.923 9.193 8.270 -0.000 0.000 0.392 250 A N 3.323 126.276 122.820 0.223 0.000 2.402 250 A HA 0.538 4.861 4.320 0.004 0.000 0.291 250 A C -0.898 176.800 177.584 0.190 0.000 1.051 250 A CA -0.650 51.511 52.037 0.207 0.000 0.716 250 A CB 1.480 20.666 19.000 0.310 0.000 1.223 250 A HN 0.765 8.915 8.150 -0.000 0.000 0.425 251 S N 1.160 116.943 115.700 0.140 0.000 2.608 251 S HA 0.727 5.199 4.470 0.004 0.000 0.291 251 S C 0.835 175.508 174.600 0.121 0.000 1.146 251 S CA 0.109 58.389 58.200 0.132 0.000 1.043 251 S CB 1.436 64.658 63.200 0.037 0.000 1.037 251 S HN 2.598 10.908 8.310 -0.000 0.000 0.520 252 G N 0.818 109.702 108.800 0.139 0.000 2.137 252 G HA2 -0.048 3.914 3.960 0.004 0.000 0.237 252 G HA3 -0.048 3.914 3.960 0.004 0.000 0.237 252 G C 0.423 175.521 174.900 0.329 0.000 1.002 252 G CA -0.252 45.002 45.100 0.257 0.000 0.702 252 G HN 1.350 9.640 8.290 -0.000 0.000 0.515 253 G N -0.189 108.740 108.800 0.216 0.000 2.476 253 G HA2 0.609 4.571 3.960 0.004 0.000 0.269 253 G HA3 0.609 4.571 3.960 0.004 0.000 0.269 253 G C 1.244 176.035 174.900 -0.182 0.000 1.195 253 G CA 0.805 45.954 45.100 0.082 0.000 0.843 253 G HN 1.288 9.578 8.290 -0.000 0.000 0.545 254 S N 1.673 116.971 115.700 -0.669 0.000 2.359 254 S HA -0.188 4.284 4.470 0.004 0.000 0.224 254 S C 2.146 176.453 174.600 -0.488 0.000 1.035 254 S CA 1.320 58.785 58.200 -1.225 0.000 1.018 254 S CB -0.299 62.154 63.200 -1.245 0.000 0.876 254 S HN 0.309 8.619 8.310 -0.000 0.000 0.448 255 I N 3.107 123.587 120.570 -0.150 0.000 2.493 255 I HA -0.064 4.108 4.170 0.004 0.000 0.254 255 I C 1.851 177.978 176.117 0.018 0.000 1.160 255 I CA 0.916 62.192 61.300 -0.039 0.000 1.445 255 I CB -0.727 37.330 38.000 0.095 0.000 1.086 255 I HN 0.202 8.412 8.210 -0.000 0.000 0.433 256 D N -1.072 119.406 120.400 0.130 0.000 2.123 256 D HA -0.219 4.423 4.640 0.004 0.000 0.200 256 D C 1.855 178.337 176.300 0.302 0.000 0.976 256 D CA 0.810 55.029 54.000 0.364 0.000 0.831 256 D CB -0.354 40.760 40.800 0.525 0.000 0.974 256 D HN 0.444 8.814 8.370 -0.000 0.000 0.469 257 W N 2.092 123.396 121.300 0.006 0.000 2.355 257 W HA -0.221 4.442 4.660 0.005 0.000 0.309 257 W C 2.583 179.033 176.519 -0.116 0.000 1.206 257 W CA 2.731 60.070 57.345 -0.010 0.000 1.284 257 W CB -0.480 29.022 29.460 0.069 0.000 1.145 257 W HN 0.003 8.183 8.180 -0.000 0.000 0.502 258 S N -0.829 114.626 115.700 -0.409 0.000 2.368 258 S HA -0.345 4.127 4.470 0.004 0.000 0.225 258 S C 1.883 176.209 174.600 -0.457 0.000 1.030 258 S CA 1.409 59.152 58.200 -0.761 0.000 0.999 258 S CB -1.587 60.965 63.200 -1.079 0.000 0.844 258 S HN 0.482 8.792 8.310 -0.000 0.000 0.459 259 Y N 3.330 123.440 120.300 -0.317 0.000 2.181 259 Y HA -0.028 4.524 4.550 0.003 0.000 0.288 259 Y C 2.011 177.797 175.900 -0.190 0.000 1.146 259 Y CA 1.727 59.693 58.100 -0.224 0.000 1.164 259 Y CB -0.660 37.682 38.460 -0.197 0.000 0.982 259 Y HN 0.215 8.495 8.280 -0.000 0.000 0.515 260 N N 0.142 118.760 118.700 -0.137 0.000 2.520 260 N HA -0.128 4.614 4.740 0.004 0.000 0.185 260 N C 1.199 176.498 175.510 -0.352 0.000 1.068 260 N CA 0.870 53.818 53.050 -0.169 0.000 0.911 260 N CB -0.202 38.282 38.487 -0.005 0.000 0.961 260 N HN 0.419 8.799 8.380 -0.000 0.000 0.446 261 Q N -0.670 118.810 119.800 -0.534 0.000 2.360 261 Q HA 0.243 4.585 4.340 0.004 0.000 0.202 261 Q C 0.847 176.635 176.000 -0.352 0.000 0.915 261 Q CA 0.265 55.758 55.803 -0.517 0.000 0.943 261 Q CB 0.041 28.283 28.738 -0.826 0.000 1.064 261 Q HN 0.386 8.656 8.270 -0.000 0.000 0.511 262 G N -0.133 108.436 108.800 -0.385 0.000 2.176 262 G HA2 -0.233 3.729 3.960 0.004 0.000 0.232 262 G HA3 -0.233 3.729 3.960 0.004 0.000 0.232 262 G C 0.068 174.812 174.900 -0.259 0.000 0.986 262 G CA -0.064 44.843 45.100 -0.322 0.000 0.643 262 G HN 0.310 8.600 8.290 -0.000 0.000 0.522 263 I N 1.819 122.246 120.570 -0.238 0.000 2.278 263 I HA 0.159 4.332 4.170 0.004 0.000 0.296 263 I C 1.677 177.745 176.117 -0.081 0.000 1.121 263 I CA -0.173 61.090 61.300 -0.063 0.000 1.267 263 I CB 1.084 39.105 38.000 0.035 0.000 1.447 263 I HN 0.136 8.346 8.210 -0.000 0.000 0.509 264 K N 5.251 125.557 120.400 -0.156 0.000 2.032 264 K HA -0.166 4.156 4.320 0.004 0.000 0.209 264 K C 0.184 176.635 176.600 -0.248 0.000 1.048 264 K CA 1.587 57.728 56.287 -0.243 0.000 0.927 264 K CB 0.052 32.231 32.500 -0.535 0.000 0.712 264 K HN 0.434 8.684 8.250 -0.000 0.000 0.441 265 Y N 1.467 121.869 120.300 0.170 0.000 2.667 265 Y HA 0.150 4.702 4.550 0.003 0.000 0.340 265 Y C -0.373 175.628 175.900 0.169 0.000 1.303 265 Y CA -0.315 57.898 58.100 0.189 0.000 1.769 265 Y CB 0.279 38.977 38.460 0.395 0.000 1.804 265 Y HN -0.151 8.129 8.280 -0.000 0.000 0.451 266 S N 3.090 118.751 115.700 -0.064 0.000 2.438 266 S HA 0.653 5.125 4.470 0.004 0.000 0.316 266 S C -0.827 173.631 174.600 -0.238 0.000 1.084 266 S CA -0.531 57.705 58.200 0.061 0.000 1.107 266 S CB 0.243 63.483 63.200 0.066 0.000 0.981 266 S HN 0.297 8.607 8.310 -0.000 0.000 0.466 267 F N 0.633 120.771 119.950 0.312 0.000 2.599 267 F HA 0.519 5.048 4.527 0.003 0.000 0.311 267 F C 0.440 176.394 175.800 0.257 0.000 1.076 267 F CA -0.704 57.426 58.000 0.218 0.000 0.937 267 F CB 2.198 41.282 39.000 0.141 0.000 1.282 267 F HN 0.214 8.514 8.300 -0.000 0.000 0.460 268 T N 2.244 117.017 114.554 0.365 0.000 2.824 268 T HA 0.537 4.889 4.350 0.004 0.000 0.282 268 T C -1.234 173.622 174.700 0.259 0.000 0.993 268 T CA -0.443 61.866 62.100 0.348 0.000 0.967 268 T CB 0.640 69.644 68.868 0.227 0.000 0.960 268 T HN 0.215 8.455 8.240 -0.000 0.000 0.441 269 F N 2.247 122.401 119.950 0.340 0.000 2.420 269 F HA 0.388 4.918 4.527 0.004 0.000 0.342 269 F C 0.901 176.902 175.800 0.335 0.000 1.113 269 F CA -0.717 57.484 58.000 0.336 0.000 1.059 269 F CB 1.374 40.563 39.000 0.316 0.000 1.128 269 F HN 0.344 8.644 8.300 -0.000 0.000 0.475 270 E N 4.671 125.155 120.200 0.474 0.000 2.141 270 E HA 0.260 4.612 4.350 0.004 0.000 0.259 270 E C -0.674 176.128 176.600 0.337 0.000 0.883 270 E CA -0.605 55.987 56.400 0.320 0.000 0.744 270 E CB 1.945 31.713 29.700 0.114 0.000 1.150 270 E HN 0.346 8.706 8.360 -0.000 0.000 0.420 271 L N 1.687 123.135 121.223 0.375 0.000 2.540 271 L HA 0.263 4.605 4.340 0.004 0.000 0.215 271 L C 1.123 178.136 176.870 0.239 0.000 1.204 271 L CA -0.052 55.009 54.840 0.368 0.000 0.841 271 L CB -0.078 42.174 42.059 0.321 0.000 1.420 271 L HN 0.352 8.582 8.230 -0.000 0.000 0.519 272 R N 0.100 120.739 120.500 0.231 0.000 2.694 272 R HA 0.186 4.528 4.340 0.004 0.000 0.268 272 R C -0.556 175.853 176.300 0.182 0.000 1.061 272 R CA -0.231 55.969 56.100 0.166 0.000 1.133 272 R CB 0.217 30.607 30.300 0.150 0.000 1.020 272 R HN 0.695 8.965 8.270 -0.000 0.000 0.475 273 D N -0.991 119.476 120.400 0.111 0.000 2.577 273 D HA 0.069 4.711 4.640 0.004 0.000 0.248 273 D C 0.318 176.694 176.300 0.126 0.000 1.181 273 D CA -0.557 53.488 54.000 0.075 0.000 1.083 273 D CB -0.161 40.663 40.800 0.041 0.000 1.198 273 D HN 0.467 8.837 8.370 -0.000 0.000 0.626 274 T N -4.561 110.000 114.554 0.013 0.000 3.273 274 T HA 0.545 4.897 4.350 0.004 0.000 0.254 274 T C 1.099 175.835 174.700 0.059 0.000 1.002 274 T CA 0.097 62.241 62.100 0.072 0.000 0.913 274 T CB -0.384 68.493 68.868 0.015 0.000 1.056 274 T HN 0.895 9.135 8.240 -0.000 0.000 0.576 275 G N 1.561 110.268 108.800 -0.154 0.000 2.551 275 G HA2 -0.191 3.771 3.960 0.004 0.000 0.186 275 G HA3 -0.191 3.771 3.960 0.004 0.000 0.186 275 G C 0.932 175.627 174.900 -0.342 0.000 1.002 275 G CA 0.098 45.024 45.100 -0.289 0.000 0.723 275 G HN 0.417 8.707 8.290 -0.000 0.000 0.481 276 R N -0.460 119.856 120.500 -0.307 0.000 2.094 276 R HA -0.072 4.270 4.340 0.004 0.000 0.239 276 R C 1.939 177.908 176.300 -0.552 0.000 1.137 276 R CA 2.342 58.183 56.100 -0.431 0.000 0.943 276 R CB -0.243 29.748 30.300 -0.515 0.000 0.850 276 R HN 0.475 8.745 8.270 -0.000 0.000 0.433 277 Y N -1.100 119.051 120.300 -0.248 0.000 2.524 277 Y HA 0.271 4.823 4.550 0.004 0.000 0.270 277 Y C 1.606 177.269 175.900 -0.395 0.000 1.094 277 Y CA 0.513 58.469 58.100 -0.239 0.000 1.276 277 Y CB 0.164 38.533 38.460 -0.151 0.000 1.130 277 Y HN 0.463 8.743 8.280 -0.000 0.000 0.536 278 G N 0.964 109.408 108.800 -0.593 0.000 2.591 278 G HA2 -0.386 3.576 3.960 0.004 0.000 0.298 278 G HA3 -0.386 3.576 3.960 0.004 0.000 0.298 278 G C 0.746 175.253 174.900 -0.656 0.000 1.195 278 G CA 0.704 45.022 45.100 -1.302 0.000 0.989 278 G HN 0.195 8.485 8.290 -0.000 0.000 0.551 279 F N 0.878 120.755 119.950 -0.122 0.000 2.407 279 F HA 0.287 4.817 4.527 0.004 0.000 0.299 279 F C 2.149 177.886 175.800 -0.105 0.000 1.097 279 F CA 0.871 58.868 58.000 -0.006 0.000 1.422 279 F CB -0.189 38.809 39.000 -0.004 0.000 1.067 279 F HN 0.141 8.441 8.300 -0.000 0.000 0.539 280 L N 1.337 122.570 121.223 0.016 0.000 2.934 280 L HA 0.164 4.506 4.340 0.004 0.000 0.233 280 L C 0.152 177.010 176.870 -0.020 0.000 1.358 280 L CA -0.214 54.594 54.840 -0.053 0.000 1.233 280 L CB -0.455 41.577 42.059 -0.046 0.000 1.594 280 L HN 0.093 8.323 8.230 -0.000 0.000 0.439 281 L N 2.353 123.589 121.223 0.021 0.000 2.455 281 L HA 0.212 4.554 4.340 0.004 0.000 0.272 281 L C -1.815 175.051 176.870 -0.007 0.000 1.174 281 L CA -1.419 53.416 54.840 -0.008 0.000 0.869 281 L CB 1.109 43.236 42.059 0.114 0.000 1.130 281 L HN 0.073 8.303 8.230 -0.000 0.000 0.474 282 P HA -0.024 4.396 4.420 -0.000 0.000 0.266 282 P C 0.080 177.355 177.300 -0.041 0.000 1.195 282 P CA 0.065 63.050 63.100 -0.191 0.000 0.768 282 P CB 0.866 32.316 31.700 -0.416 0.000 0.838 283 A N 3.054 125.867 122.820 -0.010 0.000 2.024 283 A HA -0.195 4.127 4.320 0.004 0.000 0.220 283 A C 2.017 179.481 177.584 -0.200 0.000 1.164 283 A CA 2.120 54.021 52.037 -0.226 0.000 0.643 283 A CB -1.510 17.354 19.000 -0.227 0.000 0.806 283 A HN 0.608 8.758 8.150 -0.000 0.000 0.451 284 S N -0.767 114.848 115.700 -0.142 0.000 2.507 284 S HA -0.144 4.329 4.470 0.004 0.000 0.235 284 S C 1.441 175.956 174.600 -0.141 0.000 0.988 284 S CA 1.193 59.315 58.200 -0.130 0.000 0.944 284 S CB -0.299 62.836 63.200 -0.108 0.000 0.762 284 S HN 0.735 9.045 8.310 -0.000 0.000 0.526 285 Q N -0.129 119.586 119.800 -0.141 0.000 2.282 285 Q HA 0.365 4.707 4.340 0.004 0.000 0.206 285 Q C 1.493 177.416 176.000 -0.129 0.000 0.878 285 Q CA -0.132 55.593 55.803 -0.130 0.000 0.944 285 Q CB -0.059 28.625 28.738 -0.089 0.000 1.100 285 Q HN 0.576 8.846 8.270 -0.000 0.000 0.509 286 I N 0.756 121.230 120.570 -0.160 0.000 2.099 286 I HA -0.335 3.837 4.170 0.004 0.000 0.239 286 I C 2.150 178.122 176.117 -0.243 0.000 1.066 286 I CA 1.573 62.766 61.300 -0.178 0.000 1.324 286 I CB -0.223 37.628 38.000 -0.248 0.000 1.037 286 I HN 0.211 8.421 8.210 -0.000 0.000 0.401 287 I N 0.456 120.868 120.570 -0.263 0.000 2.179 287 I HA -0.200 3.972 4.170 0.004 0.000 0.242 287 I C -0.445 175.442 176.117 -0.384 0.000 1.088 287 I CA 1.624 62.678 61.300 -0.410 0.000 1.357 287 I CB -1.645 36.217 38.000 -0.231 0.000 1.051 287 I HN 0.160 8.370 8.210 -0.000 0.000 0.409 288 P HA -0.126 4.294 4.420 -0.000 0.000 0.216 288 P C 1.639 178.899 177.300 -0.068 0.000 1.150 288 P CA 1.557 64.545 63.100 -0.186 0.000 0.837 288 P CB -0.085 31.354 31.700 -0.435 0.000 0.786 289 T N -0.693 113.796 114.554 -0.108 0.000 2.737 289 T HA -0.114 4.239 4.350 0.004 0.000 0.265 289 T C 1.895 176.554 174.700 -0.068 0.000 1.038 289 T CA 1.624 63.712 62.100 -0.021 0.000 1.144 289 T CB -0.945 67.925 68.868 0.003 0.000 0.866 289 T HN 0.029 8.269 8.240 -0.000 0.000 0.434 290 A N 1.365 124.030 122.820 -0.260 0.000 1.877 290 A HA -0.179 4.144 4.320 0.004 0.000 0.216 290 A C 2.291 179.676 177.584 -0.332 0.000 1.186 290 A CA 1.635 53.454 52.037 -0.363 0.000 0.620 290 A CB -0.715 17.804 19.000 -0.802 0.000 0.822 290 A HN 0.536 8.686 8.150 -0.000 0.000 0.443 291 Q N -0.394 119.083 119.800 -0.538 0.000 2.030 291 Q HA -0.246 4.096 4.340 0.004 0.000 0.204 291 Q C 2.158 178.218 176.000 0.100 0.000 0.986 291 Q CA 1.902 57.579 55.803 -0.210 0.000 0.843 291 Q CB -0.282 28.407 28.738 -0.081 0.000 0.904 291 Q HN 0.962 9.232 8.270 -0.000 0.000 0.420 292 E N -0.275 119.987 120.200 0.104 0.000 2.152 292 E HA -0.128 4.224 4.350 0.004 0.000 0.192 292 E C 1.683 178.321 176.600 0.064 0.000 0.983 292 E CA 1.500 57.952 56.400 0.088 0.000 0.818 292 E CB -0.238 29.553 29.700 0.152 0.000 0.758 292 E HN 0.117 8.477 8.360 -0.000 0.000 0.467 293 T N 0.974 115.590 114.554 0.103 0.000 2.821 293 T HA -0.182 4.170 4.350 0.004 0.000 0.267 293 T C 1.182 175.959 174.700 0.129 0.000 1.046 293 T CA 1.212 63.350 62.100 0.064 0.000 1.139 293 T CB -0.521 68.414 68.868 0.111 0.000 0.871 293 T HN 0.444 8.684 8.240 -0.000 0.000 0.454 294 W N 1.878 123.226 121.300 0.081 0.000 2.338 294 W HA -0.134 4.529 4.660 0.004 0.000 0.304 294 W C 1.468 177.927 176.519 -0.100 0.000 1.212 294 W CA 0.761 58.065 57.345 -0.069 0.000 1.264 294 W CB -0.351 29.163 29.460 0.090 0.000 1.142 294 W HN 0.241 8.421 8.180 -0.000 0.000 0.512 295 L N 0.727 121.843 121.223 -0.179 0.000 2.083 295 L HA -0.138 4.205 4.340 0.004 0.000 0.209 295 L C 2.812 179.506 176.870 -0.294 0.000 1.083 295 L CA 1.591 56.244 54.840 -0.313 0.000 0.752 295 L CB -1.524 40.449 42.059 -0.142 0.000 0.899 295 L HN 0.079 8.309 8.230 -0.000 0.000 0.433 296 G N -0.616 108.074 108.800 -0.183 0.000 2.403 296 G HA2 -0.136 3.827 3.960 0.004 0.000 0.216 296 G HA3 -0.136 3.827 3.960 0.004 0.000 0.216 296 G C 1.599 176.456 174.900 -0.072 0.000 1.154 296 G CA 0.649 45.702 45.100 -0.078 0.000 0.784 296 G HN 0.163 8.453 8.290 -0.000 0.000 0.538 297 V N 0.831 120.619 119.914 -0.210 0.000 2.358 297 V HA -0.073 4.049 4.120 0.004 0.000 0.246 297 V C 2.672 178.566 176.094 -0.333 0.000 1.047 297 V CA 1.335 63.520 62.300 -0.192 0.000 1.035 297 V CB -0.404 31.300 31.823 -0.198 0.000 0.658 297 V HN 0.361 8.551 8.190 -0.000 0.000 0.452 298 L N -0.185 120.620 121.223 -0.697 0.000 2.042 298 L HA -0.223 4.119 4.340 0.004 0.000 0.210 298 L C 2.560 179.217 176.870 -0.355 0.000 1.076 298 L CA 2.179 56.588 54.840 -0.719 0.000 0.749 298 L CB -0.498 40.927 42.059 -1.055 0.000 0.893 298 L HN 0.411 8.641 8.230 -0.000 0.000 0.432 299 T N 0.322 114.697 114.554 -0.298 0.000 2.720 299 T HA -0.214 4.138 4.350 0.004 0.000 0.268 299 T C 1.836 176.442 174.700 -0.157 0.000 1.037 299 T CA 1.811 63.791 62.100 -0.200 0.000 1.144 299 T CB -0.240 68.514 68.868 -0.190 0.000 0.864 299 T HN 0.303 8.543 8.240 -0.000 0.000 0.444 300 I N 0.617 121.095 120.570 -0.152 0.000 2.252 300 I HA -0.168 4.004 4.170 0.004 0.000 0.245 300 I C 2.546 178.622 176.117 -0.068 0.000 1.102 300 I CA 1.278 62.508 61.300 -0.115 0.000 1.385 300 I CB -0.391 37.566 38.000 -0.071 0.000 1.064 300 I HN 0.256 8.466 8.210 -0.000 0.000 0.414 301 M N 0.085 119.643 119.600 -0.069 0.000 2.108 301 M HA -0.234 4.248 4.480 0.004 0.000 0.261 301 M C 2.168 178.421 176.300 -0.079 0.000 1.066 301 M CA 1.860 57.128 55.300 -0.053 0.000 1.107 301 M CB -0.577 31.988 32.600 -0.057 0.000 1.356 301 M HN 0.201 8.491 8.290 -0.000 0.000 0.406 302 E N -0.741 119.405 120.200 -0.090 0.000 2.085 302 E HA -0.259 4.093 4.350 0.004 0.000 0.194 302 E C 1.880 178.436 176.600 -0.073 0.000 0.994 302 E CA 1.494 57.848 56.400 -0.077 0.000 0.801 302 E CB -0.305 29.350 29.700 -0.075 0.000 0.743 302 E HN 0.543 8.903 8.360 -0.000 0.000 0.453 303 H N 0.322 119.283 119.070 -0.182 0.000 2.357 303 H HA -0.064 4.494 4.556 0.003 0.000 0.301 303 H C 2.037 177.178 175.328 -0.311 0.000 1.082 303 H CA 2.080 57.995 56.048 -0.221 0.000 1.342 303 H CB -0.129 29.480 29.762 -0.255 0.000 1.389 303 H HN -0.006 8.274 8.280 -0.000 0.000 0.511 304 T N -0.272 114.076 114.554 -0.342 0.000 2.720 304 T HA -0.154 4.198 4.350 0.004 0.000 0.268 304 T C 2.226 176.832 174.700 -0.157 0.000 1.037 304 T CA 1.472 63.355 62.100 -0.361 0.000 1.144 304 T CB -0.518 68.251 68.868 -0.165 0.000 0.864 304 T HN 0.138 8.378 8.240 -0.000 0.000 0.444 305 V N 2.544 122.386 119.914 -0.119 0.000 2.343 305 V HA -0.127 3.995 4.120 0.004 0.000 0.247 305 V C 1.963 178.004 176.094 -0.089 0.000 1.051 305 V CA 1.379 63.632 62.300 -0.079 0.000 1.036 305 V CB -0.510 31.268 31.823 -0.075 0.000 0.654 305 V HN 0.504 8.694 8.190 -0.000 0.000 0.451 306 N N 0.589 119.209 118.700 -0.133 0.000 2.434 306 N HA 0.069 4.811 4.740 0.004 0.000 0.196 306 N C 0.161 175.577 175.510 -0.155 0.000 1.183 306 N CA 0.238 53.210 53.050 -0.130 0.000 0.849 306 N CB -0.014 38.393 38.487 -0.134 0.000 0.992 306 N HN 0.563 8.943 8.380 -0.000 0.000 0.460 307 N N 0.000 118.610 118.700 -0.150 0.000 1.763 307 N HA 0.000 4.742 4.740 0.004 0.000 0.220 307 N CA 0.000 53.004 53.050 -0.076 0.000 0.885 307 N CB 0.000 38.398 38.487 -0.149 0.000 1.341 307 N HN 0.000 8.380 8.380 -0.000 0.000 0.667