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 1btj_1_B DATA FIRST_RESID 4 DATA SEQUENCE KTVRWcAVSE HEATKcQSFR DHMKSVIPSD GPSVAcVKKA SYLDcIRAIA DATA SEQUENCE ANEADAVTLD AGLVYDAYLA PNNLKPVVAE FYGSKEDPQT FYYAVAVVKK DATA SEQUENCE DSGFQMNQLR GKKScHTGLG RSAGWNIPIG LLYcDLPEPR KPLEKAVANF DATA SEQUENCE FSGScAPcAD GTDFPQLcQL cPGcGcSTLN QYFGYSGAFK cLKDGAGDVA DATA SEQUENCE FVKHSTIFEN LANKADRDQY ELLcLDNTRK PVDEYKDcHL AQVPSHTVVA DATA SEQUENCE RSMGGKEDLI WELLNQAQEH FGKDKSKEFQ LFSSPHGKDL LFKDSAHGFL DATA SEQUENCE KVPPRMDAKM YLGYEYVTAI RNLREGTcPE APT 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 4 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 4 K C 0.000 176.595 176.600 -0.008 0.000 0.988 4 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 4 K CB 0.000 32.501 32.500 0.002 0.000 1.064 5 T N 0.151 114.699 114.554 -0.009 0.000 2.934 5 T HA 0.599 4.947 4.350 -0.003 0.000 0.283 5 T C -0.683 174.022 174.700 0.009 0.000 1.005 5 T CA -0.846 61.248 62.100 -0.010 0.000 1.041 5 T CB 1.542 70.399 68.868 -0.018 0.000 1.042 5 T HN 0.215 8.455 8.240 -0.000 0.000 0.505 6 V N 2.370 122.302 119.914 0.030 0.000 2.378 6 V HA 0.340 4.458 4.120 -0.003 0.000 0.288 6 V C 0.086 176.239 176.094 0.097 0.000 1.016 6 V CA -0.859 61.486 62.300 0.075 0.000 0.840 6 V CB 1.171 33.092 31.823 0.163 0.000 0.994 6 V HN 0.728 8.918 8.190 -0.000 0.000 0.431 7 R N 5.154 125.680 120.500 0.044 0.000 2.419 7 R HA 0.159 4.497 4.340 -0.003 0.000 0.305 7 R C -0.512 175.815 176.300 0.044 0.000 1.242 7 R CA -0.317 55.810 56.100 0.044 0.000 1.105 7 R CB 0.581 30.878 30.300 -0.005 0.000 1.116 7 R HN 0.627 8.897 8.270 -0.000 0.000 0.523 8 W N 4.685 126.007 121.300 0.038 0.000 2.388 8 W HA 0.102 4.760 4.660 -0.003 0.000 0.308 8 W C -0.116 176.423 176.519 0.033 0.000 1.263 8 W CA -0.978 56.406 57.345 0.064 0.000 1.286 8 W CB 0.998 30.545 29.460 0.145 0.000 1.294 8 W HN 0.469 8.649 8.180 -0.000 0.000 0.493 9 c N 5.878 124.439 118.600 -0.064 0.000 2.585 9 c HA 0.676 5.244 4.570 -0.003 0.000 0.406 9 c C 0.429 174.616 174.090 0.162 0.000 1.312 9 c CA -0.103 56.243 56.329 0.028 0.000 1.924 9 c CB -0.769 41.702 42.510 -0.067 0.000 2.578 9 c HN 0.630 8.860 8.230 -0.000 0.000 0.580 10 A N 4.047 126.948 122.820 0.136 0.000 2.374 10 A HA 0.649 4.967 4.320 -0.003 0.000 0.317 10 A C 0.157 177.792 177.584 0.085 0.000 1.094 10 A CA -0.307 51.809 52.037 0.132 0.000 0.765 10 A CB 1.259 20.328 19.000 0.115 0.000 1.268 10 A HN 1.546 9.696 8.150 -0.000 0.000 0.438 11 V N -0.194 119.773 119.914 0.089 0.000 3.177 11 V HA 0.521 4.639 4.120 -0.003 0.000 0.342 11 V C 0.183 176.312 176.094 0.060 0.000 1.379 11 V CA 0.601 62.950 62.300 0.082 0.000 1.191 11 V CB -1.872 30.028 31.823 0.130 0.000 1.167 11 V HN 1.400 9.590 8.190 -0.000 0.000 0.471 12 S N -1.846 113.878 115.700 0.039 0.000 2.656 12 S HA 0.399 4.867 4.470 -0.003 0.000 0.265 12 S C 0.111 174.704 174.600 -0.011 0.000 1.132 12 S CA -0.239 57.960 58.200 -0.003 0.000 0.819 12 S CB 1.438 64.627 63.200 -0.019 0.000 1.119 12 S HN 0.141 8.451 8.310 -0.000 0.000 0.476 13 E N -0.087 120.073 120.200 -0.068 0.000 2.216 13 E HA -0.011 4.337 4.350 -0.003 0.000 0.192 13 E C 1.354 177.980 176.600 0.043 0.000 0.988 13 E CA 0.867 57.248 56.400 -0.033 0.000 0.834 13 E CB -0.272 29.393 29.700 -0.059 0.000 0.772 13 E HN 0.696 9.056 8.360 -0.000 0.000 0.479 14 H N 0.221 119.308 119.070 0.028 0.000 2.389 14 H HA -0.057 4.498 4.556 -0.003 0.000 0.299 14 H C 2.027 177.349 175.328 -0.010 0.000 1.081 14 H CA 0.892 56.957 56.048 0.029 0.000 1.345 14 H CB 0.260 30.061 29.762 0.065 0.000 1.393 14 H HN 0.098 8.378 8.280 -0.000 0.000 0.520 15 E N 0.600 120.877 120.200 0.129 0.000 2.158 15 E HA -0.090 4.258 4.350 -0.003 0.000 0.191 15 E C 2.324 178.950 176.600 0.043 0.000 0.982 15 E CA 0.576 57.016 56.400 0.065 0.000 0.823 15 E CB 0.078 29.819 29.700 0.068 0.000 0.766 15 E HN 0.441 8.801 8.360 -0.000 0.000 0.468 16 A N 0.249 123.096 122.820 0.044 0.000 1.877 16 A HA -0.183 4.136 4.320 -0.003 0.000 0.216 16 A C 2.359 179.949 177.584 0.009 0.000 1.186 16 A CA 2.022 54.081 52.037 0.036 0.000 0.620 16 A CB -0.987 18.029 19.000 0.028 0.000 0.822 16 A HN 0.280 8.430 8.150 -0.000 0.000 0.443 17 T N -0.320 114.215 114.554 -0.032 0.000 2.652 17 T HA -0.175 4.173 4.350 -0.003 0.000 0.267 17 T C 1.995 176.617 174.700 -0.131 0.000 1.039 17 T CA 1.746 63.776 62.100 -0.118 0.000 1.153 17 T CB -0.250 68.458 68.868 -0.268 0.000 0.863 17 T HN 0.608 8.848 8.240 -0.000 0.000 0.428 18 K N 0.186 120.496 120.400 -0.151 0.000 2.113 18 K HA -0.181 4.137 4.320 -0.003 0.000 0.208 18 K C 2.628 179.315 176.600 0.145 0.000 1.047 18 K CA 1.569 57.855 56.287 -0.001 0.000 0.928 18 K CB -0.563 31.936 32.500 -0.002 0.000 0.716 18 K HN 0.407 8.657 8.250 -0.000 0.000 0.446 19 c N 1.303 119.961 118.600 0.097 0.000 2.446 19 c HA -0.055 4.514 4.570 -0.003 0.000 0.277 19 c C 2.522 176.672 174.090 0.100 0.000 1.275 19 c CA 1.078 57.505 56.329 0.164 0.000 1.727 19 c CB -0.715 41.880 42.510 0.143 0.000 2.010 19 c HN 0.554 8.784 8.230 -0.000 0.000 0.486 20 Q N -0.359 119.465 119.800 0.039 0.000 2.123 20 Q HA -0.130 4.209 4.340 -0.003 0.000 0.199 20 Q C 2.432 178.411 176.000 -0.037 0.000 0.966 20 Q CA 1.688 57.481 55.803 -0.018 0.000 0.845 20 Q CB -0.322 28.404 28.738 -0.019 0.000 0.907 20 Q HN 0.672 8.942 8.270 -0.000 0.000 0.439 21 S N -0.122 115.607 115.700 0.048 0.000 2.461 21 S HA -0.067 4.402 4.470 -0.003 0.000 0.228 21 S C 1.401 176.011 174.600 0.016 0.000 1.005 21 S CA 0.257 58.519 58.200 0.103 0.000 0.942 21 S CB -0.081 63.315 63.200 0.327 0.000 0.776 21 S HN 0.434 8.744 8.310 -0.000 0.000 0.514 22 F N 2.884 122.751 119.950 -0.137 0.000 2.293 22 F HA 0.258 4.784 4.527 -0.002 0.000 0.297 22 F C 2.052 177.589 175.800 -0.438 0.000 1.089 22 F CA 1.007 58.759 58.000 -0.415 0.000 1.377 22 F CB -0.641 38.325 39.000 -0.056 0.000 1.051 22 F HN 0.132 8.432 8.300 -0.000 0.000 0.511 23 R N 0.621 120.834 120.500 -0.478 0.000 2.064 23 R HA -0.141 4.197 4.340 -0.003 0.000 0.228 23 R C 1.893 177.941 176.300 -0.420 0.000 1.144 23 R CA 2.078 57.872 56.100 -0.510 0.000 0.932 23 R CB -0.862 29.267 30.300 -0.284 0.000 0.833 23 R HN 0.165 8.435 8.270 -0.000 0.000 0.429 24 D N 0.108 120.313 120.400 -0.326 0.000 2.126 24 D HA -0.207 4.432 4.640 -0.003 0.000 0.190 24 D C 1.938 178.018 176.300 -0.367 0.000 1.001 24 D CA 1.841 55.654 54.000 -0.311 0.000 0.841 24 D CB -0.771 39.844 40.800 -0.307 0.000 0.949 24 D HN 0.497 8.867 8.370 -0.000 0.000 0.446 25 H N -0.126 118.690 119.070 -0.424 0.000 2.289 25 H HA -0.128 4.427 4.556 -0.002 0.000 0.294 25 H C 2.292 177.426 175.328 -0.324 0.000 1.095 25 H CA 1.607 57.393 56.048 -0.437 0.000 1.256 25 H CB -0.022 29.179 29.762 -0.934 0.000 1.359 25 H HN 0.041 8.321 8.280 -0.000 0.000 0.487 26 M N 0.832 120.180 119.600 -0.420 0.000 2.106 26 M HA -0.204 4.274 4.480 -0.003 0.000 0.259 26 M C 1.968 178.182 176.300 -0.143 0.000 1.068 26 M CA 1.595 56.731 55.300 -0.272 0.000 1.100 26 M CB -0.781 31.574 32.600 -0.408 0.000 1.351 26 M HN 0.287 8.577 8.290 -0.000 0.000 0.404 27 K N 0.413 120.706 120.400 -0.178 0.000 2.009 27 K HA -0.151 4.167 4.320 -0.003 0.000 0.210 27 K C 2.072 178.632 176.600 -0.066 0.000 1.049 27 K CA 2.034 58.248 56.287 -0.122 0.000 0.929 27 K CB -0.519 31.899 32.500 -0.136 0.000 0.714 27 K HN 0.461 8.711 8.250 -0.000 0.000 0.440 28 S N 0.708 116.377 115.700 -0.051 0.000 2.465 28 S HA -0.099 4.369 4.470 -0.003 0.000 0.241 28 S C 1.835 176.466 174.600 0.052 0.000 1.000 28 S CA 1.328 59.530 58.200 0.004 0.000 0.964 28 S CB -0.281 62.931 63.200 0.020 0.000 0.763 28 S HN 0.253 8.563 8.310 -0.000 0.000 0.512 29 V N -2.604 117.351 119.914 0.068 0.000 3.485 29 V HA 0.542 4.660 4.120 -0.003 0.000 0.280 29 V C 0.017 176.104 176.094 -0.012 0.000 1.495 29 V CA -0.617 61.722 62.300 0.065 0.000 1.018 29 V CB -0.048 31.849 31.823 0.122 0.000 0.818 29 V HN 0.300 8.490 8.190 -0.000 0.000 0.436 30 I N 2.678 123.215 120.570 -0.055 0.000 2.648 30 I HA 0.613 4.781 4.170 -0.003 0.000 0.304 30 I C -2.471 173.625 176.117 -0.034 0.000 1.009 30 I CA -2.594 58.664 61.300 -0.069 0.000 1.114 30 I CB 1.375 39.305 38.000 -0.116 0.000 1.293 30 I HN 0.126 8.336 8.210 -0.000 0.000 0.449 31 P HA 0.259 4.679 4.420 -0.000 0.000 0.279 31 P C 0.495 177.781 177.300 -0.023 0.000 1.239 31 P CA -0.253 62.840 63.100 -0.012 0.000 0.789 31 P CB 1.085 32.786 31.700 0.001 0.000 0.933 32 S N 2.292 117.978 115.700 -0.023 0.000 2.389 32 S HA -0.269 4.200 4.470 -0.003 0.000 0.231 32 S C 1.310 175.896 174.600 -0.025 0.000 1.052 32 S CA 2.387 60.571 58.200 -0.027 0.000 1.053 32 S CB -1.067 62.119 63.200 -0.023 0.000 0.886 32 S HN 0.742 9.052 8.310 -0.000 0.000 0.456 33 D N 1.282 121.672 120.400 -0.016 0.000 2.228 33 D HA 0.029 4.667 4.640 -0.003 0.000 0.203 33 D C 1.156 177.447 176.300 -0.015 0.000 0.988 33 D CA 0.911 54.904 54.000 -0.012 0.000 0.864 33 D CB -0.710 40.087 40.800 -0.005 0.000 0.928 33 D HN 0.420 8.790 8.370 -0.000 0.000 0.469 34 G N 0.920 109.707 108.800 -0.021 0.000 2.699 34 G HA2 0.334 4.292 3.960 -0.003 0.000 0.246 34 G HA3 0.334 4.292 3.960 -0.003 0.000 0.246 34 G C -2.077 172.802 174.900 -0.035 0.000 1.219 34 G CA -0.979 44.105 45.100 -0.027 0.000 0.866 34 G HN 0.103 8.393 8.290 -0.000 0.000 0.572 35 P HA 0.256 4.676 4.420 -0.000 0.000 0.279 35 P C -0.439 176.824 177.300 -0.061 0.000 1.239 35 P CA -0.267 62.814 63.100 -0.032 0.000 0.789 35 P CB 1.516 33.204 31.700 -0.019 0.000 0.933 36 S N 1.234 116.895 115.700 -0.064 0.000 2.709 36 S HA 0.632 5.100 4.470 -0.003 0.000 0.302 36 S C -0.499 174.034 174.600 -0.110 0.000 1.127 36 S CA -0.917 57.214 58.200 -0.115 0.000 0.905 36 S CB 1.504 64.639 63.200 -0.107 0.000 1.151 36 S HN 0.448 8.758 8.310 -0.000 0.000 0.510 37 V N 0.025 119.822 119.914 -0.195 0.000 2.487 37 V HA 0.852 4.970 4.120 -0.003 0.000 0.298 37 V C -0.253 175.779 176.094 -0.103 0.000 1.028 37 V CA -0.466 61.740 62.300 -0.156 0.000 0.860 37 V CB 0.706 32.282 31.823 -0.412 0.000 0.991 37 V HN 1.370 9.560 8.190 -0.000 0.000 0.427 38 A N 5.591 128.407 122.820 -0.007 0.000 2.311 38 A HA 0.831 5.150 4.320 -0.003 0.000 0.334 38 A C -0.382 177.235 177.584 0.055 0.000 1.139 38 A CA -0.470 51.568 52.037 0.001 0.000 0.830 38 A CB 1.346 20.350 19.000 0.006 0.000 1.234 38 A HN 1.063 9.213 8.150 -0.000 0.000 0.483 39 c N 0.855 119.480 118.600 0.042 0.000 2.379 39 c HA 0.718 5.287 4.570 -0.003 0.000 0.323 39 c C -0.227 173.898 174.090 0.059 0.000 1.262 39 c CA -0.491 55.887 56.329 0.080 0.000 1.581 39 c CB 0.608 43.155 42.510 0.062 0.000 2.221 39 c HN 0.602 8.832 8.230 -0.000 0.000 0.497 40 V N 3.207 123.166 119.914 0.076 0.000 2.638 40 V HA 0.517 4.635 4.120 -0.003 0.000 0.306 40 V C -0.353 175.768 176.094 0.046 0.000 1.052 40 V CA -0.626 61.699 62.300 0.041 0.000 0.885 40 V CB 1.862 33.697 31.823 0.019 0.000 0.999 40 V HN 0.829 9.019 8.190 -0.000 0.000 0.424 41 K N 4.077 124.494 120.400 0.028 0.000 2.274 41 K HA 0.652 4.971 4.320 -0.003 0.000 0.262 41 K C -0.896 175.710 176.600 0.010 0.000 0.961 41 K CA -0.749 55.553 56.287 0.026 0.000 0.833 41 K CB 1.124 33.637 32.500 0.021 0.000 1.102 41 K HN 0.480 8.730 8.250 -0.000 0.000 0.436 42 K N 1.454 121.860 120.400 0.009 0.000 2.395 42 K HA 0.408 4.726 4.320 -0.003 0.000 0.245 42 K C 0.188 176.785 176.600 -0.005 0.000 1.017 42 K CA -0.611 55.671 56.287 -0.008 0.000 0.852 42 K CB 1.692 34.179 32.500 -0.022 0.000 1.311 42 K HN 0.625 8.875 8.250 -0.000 0.000 0.452 43 A N 0.295 123.102 122.820 -0.022 0.000 2.119 43 A HA 0.016 4.334 4.320 -0.003 0.000 0.217 43 A C 0.184 177.764 177.584 -0.007 0.000 1.153 43 A CA 1.345 53.372 52.037 -0.016 0.000 0.692 43 A CB -0.249 18.735 19.000 -0.028 0.000 0.799 43 A HN 0.661 8.811 8.150 -0.000 0.000 0.458 44 S N -3.486 112.189 115.700 -0.041 0.000 2.586 44 S HA 0.361 4.829 4.470 -0.003 0.000 0.277 44 S C 0.478 175.011 174.600 -0.111 0.000 1.131 44 S CA -0.222 57.955 58.200 -0.039 0.000 0.848 44 S CB -0.177 62.852 63.200 -0.284 0.000 1.091 44 S HN 0.824 9.134 8.310 -0.000 0.000 0.453 45 Y N 1.059 121.375 120.300 0.026 0.000 2.100 45 Y HA -0.321 4.228 4.550 -0.003 0.000 0.267 45 Y C 1.685 177.592 175.900 0.012 0.000 1.250 45 Y CA 1.933 60.050 58.100 0.029 0.000 1.105 45 Y CB -1.661 36.827 38.460 0.048 0.000 0.924 45 Y HN 0.549 8.829 8.280 -0.000 0.000 0.508 46 L N -0.193 120.738 121.223 -0.487 0.000 2.027 46 L HA -0.162 4.176 4.340 -0.003 0.000 0.206 46 L C 2.356 179.108 176.870 -0.198 0.000 1.074 46 L CA 1.637 56.290 54.840 -0.311 0.000 0.745 46 L CB -0.708 41.088 42.059 -0.439 0.000 0.898 46 L HN 0.157 8.387 8.230 -0.000 0.000 0.433 47 D N -0.436 119.835 120.400 -0.215 0.000 2.149 47 D HA -0.190 4.448 4.640 -0.003 0.000 0.198 47 D C 2.280 178.528 176.300 -0.087 0.000 0.990 47 D CA 1.284 55.208 54.000 -0.127 0.000 0.839 47 D CB -0.300 40.437 40.800 -0.104 0.000 0.948 47 D HN 0.365 8.735 8.370 -0.000 0.000 0.460 48 c N 0.281 118.837 118.600 -0.073 0.000 2.446 48 c HA -0.032 4.536 4.570 -0.003 0.000 0.277 48 c C 2.844 176.896 174.090 -0.063 0.000 1.275 48 c CA -0.090 56.208 56.329 -0.052 0.000 1.727 48 c CB -0.890 41.607 42.510 -0.022 0.000 2.010 48 c HN 0.358 8.588 8.230 -0.000 0.000 0.486 49 I N 0.466 121.002 120.570 -0.056 0.000 2.335 49 I HA -0.226 3.942 4.170 -0.003 0.000 0.251 49 I C 2.694 178.772 176.117 -0.065 0.000 1.129 49 I CA 1.504 62.773 61.300 -0.053 0.000 1.402 49 I CB -0.380 37.602 38.000 -0.031 0.000 1.069 49 I HN 0.415 8.625 8.210 -0.000 0.000 0.424 50 R N 0.418 120.876 120.500 -0.071 0.000 2.100 50 R HA 0.054 4.392 4.340 -0.003 0.000 0.220 50 R C 2.383 178.646 176.300 -0.062 0.000 1.091 50 R CA 1.123 57.183 56.100 -0.068 0.000 0.986 50 R CB -0.376 29.881 30.300 -0.071 0.000 0.888 50 R HN 0.261 8.531 8.270 -0.000 0.000 0.444 51 A N 1.310 124.093 122.820 -0.062 0.000 2.070 51 A HA -0.085 4.233 4.320 -0.003 0.000 0.220 51 A C 2.051 179.598 177.584 -0.062 0.000 1.159 51 A CA 1.047 53.050 52.037 -0.056 0.000 0.656 51 A CB -0.383 18.586 19.000 -0.052 0.000 0.800 51 A HN 0.163 8.313 8.150 -0.000 0.000 0.453 52 I N -0.927 119.600 120.570 -0.072 0.000 2.339 52 I HA -0.146 4.022 4.170 -0.003 0.000 0.245 52 I C 2.981 179.058 176.117 -0.067 0.000 1.096 52 I CA 0.792 62.043 61.300 -0.081 0.000 1.408 52 I CB -0.425 37.515 38.000 -0.100 0.000 1.092 52 I HN 0.339 8.549 8.210 -0.000 0.000 0.423 53 A N 1.085 123.867 122.820 -0.063 0.000 1.873 53 A HA -0.239 4.080 4.320 -0.003 0.000 0.218 53 A C 2.336 179.890 177.584 -0.050 0.000 1.193 53 A CA 2.137 54.140 52.037 -0.057 0.000 0.629 53 A CB -0.923 18.041 19.000 -0.060 0.000 0.826 53 A HN 0.443 8.593 8.150 -0.000 0.000 0.447 54 A N -1.479 121.312 122.820 -0.049 0.000 2.239 54 A HA 0.192 4.510 4.320 -0.003 0.000 0.209 54 A C 0.924 178.485 177.584 -0.038 0.000 1.171 54 A CA 1.075 53.087 52.037 -0.042 0.000 0.768 54 A CB -0.813 18.163 19.000 -0.040 0.000 0.790 54 A HN 1.010 9.161 8.150 -0.000 0.000 0.478 55 N N -1.217 117.458 118.700 -0.042 0.000 2.783 55 N HA -0.165 4.573 4.740 -0.003 0.000 0.247 55 N C 0.176 175.664 175.510 -0.036 0.000 1.089 55 N CA 1.360 54.387 53.050 -0.039 0.000 0.690 55 N CB -1.557 36.911 38.487 -0.031 0.000 0.991 55 N HN 0.689 9.069 8.380 -0.000 0.000 0.552 56 E N -1.419 118.757 120.200 -0.041 0.000 2.485 56 E HA 0.454 4.802 4.350 -0.003 0.000 0.213 56 E C 0.169 176.746 176.600 -0.039 0.000 0.923 56 E CA 0.554 56.932 56.400 -0.035 0.000 1.054 56 E CB 0.700 30.380 29.700 -0.033 0.000 1.077 56 E HN 0.460 8.820 8.360 -0.000 0.000 0.509 57 A N 0.152 122.939 122.820 -0.055 0.000 2.569 57 A HA 0.440 4.758 4.320 -0.003 0.000 0.290 57 A C -0.843 176.681 177.584 -0.100 0.000 1.136 57 A CA -0.647 51.347 52.037 -0.071 0.000 0.710 57 A CB 1.299 20.252 19.000 -0.080 0.000 1.303 57 A HN -0.073 8.077 8.150 -0.000 0.000 0.413 58 D N -0.475 119.841 120.400 -0.141 0.000 2.470 58 D HA 0.429 5.067 4.640 -0.003 0.000 0.238 58 D C 0.428 176.552 176.300 -0.292 0.000 1.054 58 D CA 1.446 55.345 54.000 -0.167 0.000 0.896 58 D CB 0.997 41.728 40.800 -0.115 0.000 1.118 58 D HN 0.842 9.212 8.370 -0.000 0.000 0.497 59 A N 0.741 123.254 122.820 -0.512 0.000 2.520 59 A HA 0.618 4.936 4.320 -0.003 0.000 0.298 59 A C -0.862 176.107 177.584 -1.026 0.000 1.051 59 A CA -0.606 50.950 52.037 -0.802 0.000 0.690 59 A CB 1.634 19.950 19.000 -1.140 0.000 1.281 59 A HN -0.077 8.073 8.150 -0.000 0.000 0.402 60 V N -0.896 118.671 119.914 -0.579 0.000 3.040 60 V HA 0.907 5.025 4.120 -0.003 0.000 0.312 60 V C -0.163 175.870 176.094 -0.100 0.000 1.115 60 V CA -0.795 61.347 62.300 -0.264 0.000 0.998 60 V CB 1.606 33.367 31.823 -0.104 0.000 1.042 60 V HN 0.934 9.124 8.190 -0.000 0.000 0.433 61 T N 2.967 117.548 114.554 0.046 0.000 2.855 61 T HA 0.870 5.219 4.350 -0.003 0.000 0.281 61 T C -0.528 174.023 174.700 -0.250 0.000 1.007 61 T CA -0.457 61.580 62.100 -0.106 0.000 1.009 61 T CB 1.435 70.252 68.868 -0.084 0.000 0.983 61 T HN 0.646 8.886 8.240 -0.000 0.000 0.455 62 L N 0.991 122.044 121.223 -0.282 0.000 2.376 62 L HA 0.576 4.914 4.340 -0.003 0.000 0.258 62 L C -0.609 176.394 176.870 0.222 0.000 1.013 62 L CA -1.379 53.468 54.840 0.013 0.000 0.822 62 L CB 1.792 43.886 42.059 0.058 0.000 1.388 62 L HN 0.490 8.720 8.230 -0.000 0.000 0.413 63 D N 0.361 120.956 120.400 0.326 0.000 2.313 63 D HA 0.237 4.875 4.640 -0.003 0.000 0.247 63 D C 0.842 177.244 176.300 0.169 0.000 1.094 63 D CA 0.181 54.352 54.000 0.285 0.000 0.925 63 D CB 2.021 42.922 40.800 0.169 0.000 1.188 63 D HN 0.708 9.078 8.370 -0.000 0.000 0.430 64 A N 2.350 125.237 122.820 0.112 0.000 1.954 64 A HA -0.245 4.073 4.320 -0.003 0.000 0.222 64 A C 2.082 179.759 177.584 0.155 0.000 1.199 64 A CA 2.574 54.624 52.037 0.022 0.000 0.657 64 A CB -1.213 17.657 19.000 -0.218 0.000 0.823 64 A HN 0.709 8.859 8.150 -0.000 0.000 0.463 65 G N -0.596 108.358 108.800 0.255 0.000 2.476 65 G HA2 -0.194 3.765 3.960 -0.003 0.000 0.218 65 G HA3 -0.194 3.765 3.960 -0.003 0.000 0.218 65 G C 1.448 176.524 174.900 0.294 0.000 1.164 65 G CA 1.220 46.523 45.100 0.338 0.000 0.768 65 G HN 0.491 8.781 8.290 -0.000 0.000 0.560 66 L N 0.254 121.605 121.223 0.213 0.000 2.492 66 L HA 0.110 4.449 4.340 -0.003 0.000 0.223 66 L C 2.724 179.692 176.870 0.162 0.000 1.132 66 L CA -0.186 54.773 54.840 0.198 0.000 0.850 66 L CB 0.181 42.357 42.059 0.195 0.000 0.966 66 L HN 0.068 8.298 8.230 -0.000 0.000 0.454 67 V N -0.985 119.020 119.914 0.151 0.000 2.358 67 V HA -0.320 3.798 4.120 -0.003 0.000 0.246 67 V C 2.195 178.384 176.094 0.158 0.000 1.047 67 V CA 1.767 64.122 62.300 0.092 0.000 1.035 67 V CB -0.492 31.347 31.823 0.026 0.000 0.658 67 V HN 0.458 8.648 8.190 -0.000 0.000 0.452 68 Y N 1.205 121.590 120.300 0.143 0.000 2.224 68 Y HA -0.207 4.341 4.550 -0.003 0.000 0.289 68 Y C 2.351 178.422 175.900 0.285 0.000 1.146 68 Y CA 1.847 60.064 58.100 0.196 0.000 1.182 68 Y CB -0.273 38.321 38.460 0.223 0.000 0.983 68 Y HN 0.348 8.628 8.280 -0.000 0.000 0.524 69 D N -0.235 120.189 120.400 0.041 0.000 2.123 69 D HA -0.091 4.547 4.640 -0.003 0.000 0.200 69 D C 2.287 178.568 176.300 -0.032 0.000 0.976 69 D CA 1.252 55.230 54.000 -0.037 0.000 0.831 69 D CB -0.463 40.385 40.800 0.080 0.000 0.974 69 D HN 0.431 8.801 8.370 -0.000 0.000 0.469 70 A N 0.714 123.554 122.820 0.033 0.000 1.978 70 A HA -0.232 4.086 4.320 -0.003 0.000 0.220 70 A C 2.110 179.701 177.584 0.011 0.000 1.170 70 A CA 1.469 53.515 52.037 0.016 0.000 0.636 70 A CB -0.951 18.066 19.000 0.027 0.000 0.810 70 A HN 0.456 8.606 8.150 -0.000 0.000 0.448 71 Y N 0.295 120.521 120.300 -0.124 0.000 2.243 71 Y HA 0.215 4.764 4.550 -0.003 0.000 0.293 71 Y C 0.754 176.569 175.900 -0.142 0.000 1.124 71 Y CA -0.052 57.977 58.100 -0.118 0.000 1.159 71 Y CB -0.470 37.937 38.460 -0.090 0.000 1.008 71 Y HN 0.151 8.431 8.280 -0.000 0.000 0.527 72 L N 1.704 122.561 121.223 -0.610 0.000 2.498 72 L HA 0.017 4.356 4.340 -0.003 0.000 0.293 72 L C 0.809 177.438 176.870 -0.401 0.000 1.271 72 L CA 0.254 54.712 54.840 -0.638 0.000 0.831 72 L CB -0.258 41.591 42.059 -0.350 0.000 1.091 72 L HN 0.390 8.620 8.230 -0.000 0.000 0.535 73 A N 2.996 125.624 122.820 -0.320 0.000 2.371 73 A HA 0.448 4.766 4.320 -0.003 0.000 0.257 73 A C -1.551 175.948 177.584 -0.142 0.000 1.089 73 A CA -0.937 50.980 52.037 -0.199 0.000 0.794 73 A CB 0.055 18.962 19.000 -0.156 0.000 1.029 73 A HN 0.668 8.818 8.150 -0.000 0.000 0.488 74 P HA 0.173 4.593 4.420 -0.000 0.000 0.259 74 P C -0.140 177.102 177.300 -0.097 0.000 1.530 74 P CA 0.075 63.116 63.100 -0.098 0.000 1.022 74 P CB 0.036 31.693 31.700 -0.071 0.000 1.514 75 N N 0.735 119.367 118.700 -0.114 0.000 2.395 75 N HA -0.032 4.706 4.740 -0.003 0.000 0.175 75 N C -0.067 175.384 175.510 -0.098 0.000 1.029 75 N CA -0.035 52.957 53.050 -0.096 0.000 0.897 75 N CB -0.638 37.797 38.487 -0.087 0.000 0.991 75 N HN 0.040 8.420 8.380 -0.000 0.000 0.441 76 N N 0.972 119.588 118.700 -0.140 0.000 2.780 76 N HA -0.188 4.550 4.740 -0.003 0.000 0.296 76 N C -1.433 174.042 175.510 -0.057 0.000 1.074 76 N CA 0.360 53.331 53.050 -0.131 0.000 0.806 76 N CB -0.775 37.637 38.487 -0.126 0.000 0.966 76 N HN 0.307 8.687 8.380 -0.000 0.000 0.585 77 L N 0.623 121.831 121.223 -0.025 0.000 2.334 77 L HA 0.453 4.791 4.340 -0.003 0.000 0.276 77 L C 0.580 177.471 176.870 0.035 0.000 1.014 77 L CA -1.042 53.792 54.840 -0.010 0.000 0.815 77 L CB 1.575 43.616 42.059 -0.029 0.000 1.268 77 L HN 0.319 8.549 8.230 -0.000 0.000 0.428 78 K N 2.227 122.636 120.400 0.015 0.000 2.156 78 K HA 0.617 4.936 4.320 -0.003 0.000 0.250 78 K C -2.765 173.807 176.600 -0.046 0.000 0.955 78 K CA -1.946 54.354 56.287 0.021 0.000 0.855 78 K CB 1.681 34.202 32.500 0.035 0.000 1.101 78 K HN 0.177 8.427 8.250 -0.000 0.000 0.434 79 P HA -0.043 4.377 4.420 -0.000 0.000 0.282 79 P C 0.446 177.659 177.300 -0.145 0.000 1.274 79 P CA -0.470 62.478 63.100 -0.253 0.000 0.770 79 P CB 1.386 32.689 31.700 -0.662 0.000 0.867 80 V N 2.885 122.744 119.914 -0.091 0.000 3.013 80 V HA 0.223 4.342 4.120 -0.003 0.000 0.238 80 V C 0.365 176.470 176.094 0.019 0.000 1.161 80 V CA 0.685 62.975 62.300 -0.017 0.000 1.170 80 V CB 0.249 32.078 31.823 0.010 0.000 0.917 80 V HN 0.165 8.355 8.190 -0.000 0.000 0.478 81 V N 1.566 121.510 119.914 0.050 0.000 2.588 81 V HA 0.900 5.018 4.120 -0.003 0.000 0.304 81 V C 0.259 176.455 176.094 0.169 0.000 1.042 81 V CA -0.202 62.176 62.300 0.129 0.000 0.877 81 V CB 1.117 33.077 31.823 0.229 0.000 0.996 81 V HN 0.684 8.874 8.190 -0.000 0.000 0.425 82 A N 3.085 126.040 122.820 0.224 0.000 2.279 82 A HA 0.757 5.075 4.320 -0.003 0.000 0.303 82 A C -0.196 177.629 177.584 0.402 0.000 1.108 82 A CA -0.473 51.718 52.037 0.256 0.000 0.830 82 A CB 0.870 20.010 19.000 0.233 0.000 1.106 82 A HN 0.874 9.024 8.150 -0.000 0.000 0.493 83 E N 0.864 121.237 120.200 0.289 0.000 2.145 83 E HA 0.497 4.846 4.350 -0.003 0.000 0.262 83 E C -1.235 175.258 176.600 -0.178 0.000 0.883 83 E CA -0.492 55.955 56.400 0.078 0.000 0.748 83 E CB 0.666 30.440 29.700 0.123 0.000 1.140 83 E HN 0.527 8.887 8.360 -0.000 0.000 0.417 84 F N 3.059 122.753 119.950 -0.427 0.000 2.403 84 F HA 0.647 5.172 4.527 -0.003 0.000 0.326 84 F C -1.321 173.986 175.800 -0.821 0.000 1.081 84 F CA -0.552 57.209 58.000 -0.399 0.000 1.041 84 F CB 0.562 39.484 39.000 -0.128 0.000 1.234 84 F HN 0.266 8.566 8.300 -0.000 0.000 0.503 85 Y N 0.177 120.413 120.300 -0.107 0.000 2.669 85 Y HA 0.714 5.263 4.550 -0.003 0.000 0.335 85 Y C 0.805 176.553 175.900 -0.254 0.000 1.116 85 Y CA -0.658 57.179 58.100 -0.439 0.000 1.081 85 Y CB 1.444 39.711 38.460 -0.322 0.000 1.297 85 Y HN 1.053 9.333 8.280 -0.000 0.000 0.484 86 G N 0.606 109.221 108.800 -0.307 0.000 2.947 86 G HA2 -0.204 3.754 3.960 -0.003 0.000 0.251 86 G HA3 -0.204 3.754 3.960 -0.003 0.000 0.251 86 G C 0.273 175.261 174.900 0.147 0.000 1.481 86 G CA 0.225 45.305 45.100 -0.035 0.000 1.006 86 G HN 1.260 9.550 8.290 -0.000 0.000 0.561 87 S N -0.317 115.531 115.700 0.248 0.000 2.869 87 S HA 0.782 5.250 4.470 -0.003 0.000 0.237 87 S C 0.926 175.795 174.600 0.447 0.000 1.077 87 S CA 0.782 59.166 58.200 0.306 0.000 1.140 87 S CB 1.415 64.715 63.200 0.166 0.000 1.187 87 S HN 0.808 9.118 8.310 -0.000 0.000 0.571 88 K N 0.071 120.636 120.400 0.275 0.000 2.544 88 K HA 0.238 4.557 4.320 -0.003 0.000 0.213 88 K C 1.507 178.124 176.600 0.028 0.000 1.392 88 K CA 0.295 56.711 56.287 0.215 0.000 0.980 88 K CB -0.024 32.594 32.500 0.196 0.000 1.177 88 K HN 0.665 8.915 8.250 -0.000 0.000 0.570 89 E N 1.252 121.482 120.200 0.051 0.000 2.075 89 E HA -0.066 4.283 4.350 -0.003 0.000 0.190 89 E C 0.133 176.734 176.600 0.001 0.000 0.969 89 E CA 0.966 57.374 56.400 0.014 0.000 0.815 89 E CB -0.288 29.428 29.700 0.027 0.000 0.776 89 E HN 0.109 8.469 8.360 -0.000 0.000 0.457 90 D N 2.300 122.718 120.400 0.030 0.000 2.517 90 D HA 0.190 4.829 4.640 -0.003 0.000 0.301 90 D C -2.552 173.789 176.300 0.067 0.000 1.202 90 D CA -2.444 51.576 54.000 0.034 0.000 0.910 90 D CB 0.882 41.706 40.800 0.040 0.000 1.021 90 D HN -0.123 8.247 8.370 -0.000 0.000 0.499 91 P HA 0.246 4.666 4.420 -0.000 0.000 0.293 91 P C -1.029 176.355 177.300 0.140 0.000 1.300 91 P CA -0.547 62.618 63.100 0.108 0.000 0.792 91 P CB 1.335 32.928 31.700 -0.178 0.000 0.925 92 Q N 1.392 121.325 119.800 0.221 0.000 2.241 92 Q HA 0.465 4.804 4.340 -0.003 0.000 0.254 92 Q C 1.094 177.275 176.000 0.302 0.000 0.917 92 Q CA -0.398 55.549 55.803 0.240 0.000 0.919 92 Q CB 0.777 29.662 28.738 0.245 0.000 1.237 92 Q HN 0.485 8.755 8.270 -0.000 0.000 0.434 93 T N -2.691 112.034 114.554 0.286 0.000 2.975 93 T HA 0.368 4.717 4.350 -0.003 0.000 0.257 93 T C -0.071 174.639 174.700 0.016 0.000 1.003 93 T CA 0.032 62.266 62.100 0.224 0.000 0.932 93 T CB 0.145 69.116 68.868 0.171 0.000 1.087 93 T HN 0.290 8.530 8.240 -0.000 0.000 0.512 94 F N 2.210 122.143 119.950 -0.029 0.000 2.538 94 F HA 0.648 5.173 4.527 -0.003 0.000 0.325 94 F C -0.695 174.929 175.800 -0.293 0.000 1.066 94 F CA -1.914 55.940 58.000 -0.243 0.000 0.946 94 F CB 1.615 40.310 39.000 -0.508 0.000 1.199 94 F HN 0.211 8.511 8.300 -0.000 0.000 0.473 95 Y N 0.210 120.421 120.300 -0.147 0.000 2.350 95 Y HA 0.666 5.215 4.550 -0.003 0.000 0.338 95 Y C -1.800 173.948 175.900 -0.254 0.000 0.961 95 Y CA -2.022 56.041 58.100 -0.063 0.000 1.100 95 Y CB 0.148 38.639 38.460 0.050 0.000 1.179 95 Y HN 0.449 8.729 8.280 -0.000 0.000 0.454 96 Y N 2.960 123.110 120.300 -0.249 0.000 2.309 96 Y HA 0.585 5.133 4.550 -0.003 0.000 0.327 96 Y C 0.447 176.441 175.900 0.156 0.000 1.172 96 Y CA -0.444 57.502 58.100 -0.257 0.000 1.280 96 Y CB 1.182 39.401 38.460 -0.401 0.000 1.234 96 Y HN 0.893 9.173 8.280 -0.000 0.000 0.512 97 A N 3.528 126.514 122.820 0.277 0.000 2.260 97 A HA 0.680 4.998 4.320 -0.003 0.000 0.314 97 A C -0.305 177.493 177.584 0.357 0.000 1.257 97 A CA -0.532 51.725 52.037 0.366 0.000 0.871 97 A CB -0.155 19.028 19.000 0.305 0.000 1.166 97 A HN 0.701 8.851 8.150 -0.000 0.000 0.522 98 V N -0.841 119.278 119.914 0.342 0.000 3.204 98 V HA 0.983 5.101 4.120 -0.003 0.000 0.316 98 V C 0.088 176.367 176.094 0.309 0.000 1.160 98 V CA -0.503 61.978 62.300 0.301 0.000 1.044 98 V CB 1.716 33.684 31.823 0.242 0.000 1.136 98 V HN 1.641 9.831 8.190 -0.000 0.000 0.455 99 A N 1.037 124.007 122.820 0.249 0.000 2.815 99 A HA 0.709 5.027 4.320 -0.003 0.000 0.318 99 A C -0.637 176.995 177.584 0.079 0.000 1.186 99 A CA -0.389 51.768 52.037 0.201 0.000 0.754 99 A CB 0.503 19.692 19.000 0.315 0.000 1.151 99 A HN 1.033 9.183 8.150 -0.000 0.000 0.452 100 V N 2.699 122.630 119.914 0.028 0.000 2.614 100 V HA 0.433 4.552 4.120 -0.003 0.000 0.291 100 V C 0.834 176.932 176.094 0.007 0.000 1.049 100 V CA 0.535 62.847 62.300 0.020 0.000 1.038 100 V CB 0.948 32.768 31.823 -0.005 0.000 0.980 100 V HN 0.982 9.172 8.190 -0.000 0.000 0.481 101 V N 2.301 122.247 119.914 0.052 0.000 3.329 101 V HA 0.702 4.820 4.120 -0.003 0.000 0.308 101 V C -0.616 175.552 176.094 0.122 0.000 1.375 101 V CA -1.081 61.244 62.300 0.041 0.000 1.015 101 V CB 1.881 33.671 31.823 -0.055 0.000 1.155 101 V HN 0.636 8.826 8.190 -0.000 0.000 0.479 102 K N 0.812 121.218 120.400 0.009 0.000 2.270 102 K HA 0.415 4.733 4.320 -0.003 0.000 0.255 102 K C -0.520 176.021 176.600 -0.099 0.000 0.936 102 K CA -0.870 55.408 56.287 -0.016 0.000 0.809 102 K CB 1.515 33.988 32.500 -0.046 0.000 1.131 102 K HN 0.673 8.923 8.250 -0.000 0.000 0.427 103 K N 3.056 123.394 120.400 -0.104 0.000 2.466 103 K HA -0.119 4.199 4.320 -0.003 0.000 0.278 103 K C -0.706 175.829 176.600 -0.109 0.000 1.048 103 K CA 1.320 57.547 56.287 -0.099 0.000 1.088 103 K CB 0.075 32.515 32.500 -0.100 0.000 0.884 103 K HN 0.792 9.042 8.250 -0.000 0.000 0.478 104 D N 1.216 121.550 120.400 -0.110 0.000 3.077 104 D HA -0.151 4.487 4.640 -0.003 0.000 0.212 104 D C 0.239 176.467 176.300 -0.121 0.000 1.125 104 D CA 1.473 55.413 54.000 -0.101 0.000 0.970 104 D CB -1.161 39.596 40.800 -0.073 0.000 1.110 104 D HN 0.644 9.014 8.370 -0.000 0.000 0.419 105 S N -0.104 115.483 115.700 -0.188 0.000 2.803 105 S HA 0.340 4.808 4.470 -0.003 0.000 0.228 105 S C 1.266 175.732 174.600 -0.223 0.000 0.953 105 S CA 0.451 58.549 58.200 -0.171 0.000 0.983 105 S CB 0.126 63.237 63.200 -0.148 0.000 0.784 105 S HN 0.713 9.023 8.310 -0.000 0.000 0.498 106 G N 2.094 110.772 108.800 -0.204 0.000 2.186 106 G HA2 -0.011 3.947 3.960 -0.003 0.000 0.229 106 G HA3 -0.011 3.947 3.960 -0.003 0.000 0.229 106 G C -0.385 174.541 174.900 0.043 0.000 0.553 106 G CA 0.544 45.585 45.100 -0.099 0.000 1.032 106 G HN 1.684 9.974 8.290 -0.000 0.000 0.354 107 F N -0.821 119.134 119.950 0.008 0.000 2.690 107 F HA 0.486 5.011 4.527 -0.003 0.000 0.314 107 F C -0.951 174.865 175.800 0.026 0.000 1.057 107 F CA -1.663 56.344 58.000 0.012 0.000 0.998 107 F CB 0.156 39.161 39.000 0.010 0.000 1.249 107 F HN 0.366 8.666 8.300 -0.000 0.000 0.486 108 Q N 3.018 123.002 119.800 0.307 0.000 2.194 108 Q HA 0.438 4.776 4.340 -0.003 0.000 0.245 108 Q C 1.151 177.328 176.000 0.294 0.000 0.993 108 Q CA -0.903 55.032 55.803 0.220 0.000 0.930 108 Q CB 1.346 30.155 28.738 0.117 0.000 1.238 108 Q HN 1.038 9.308 8.270 -0.000 0.000 0.486 109 M N 1.937 121.674 119.600 0.228 0.000 2.116 109 M HA -0.246 4.232 4.480 -0.003 0.000 0.255 109 M C 0.587 177.004 176.300 0.196 0.000 1.075 109 M CA 1.826 57.265 55.300 0.232 0.000 1.087 109 M CB -0.450 32.258 32.600 0.179 0.000 1.340 109 M HN 0.679 8.969 8.290 -0.000 0.000 0.402 110 N N 0.672 119.459 118.700 0.146 0.000 3.254 110 N HA 0.044 4.782 4.740 -0.003 0.000 0.308 110 N C -0.198 175.357 175.510 0.076 0.000 1.281 110 N CA 0.226 53.338 53.050 0.103 0.000 1.212 110 N CB 0.101 38.634 38.487 0.076 0.000 1.478 110 N HN 0.682 9.062 8.380 -0.000 0.000 0.548 111 Q N -0.554 119.280 119.800 0.057 0.000 1.560 111 Q HA 0.217 4.555 4.340 -0.003 0.000 0.150 111 Q C 1.009 176.882 176.000 -0.211 0.000 0.740 111 Q CA -0.116 55.666 55.803 -0.034 0.000 0.722 111 Q CB -0.091 28.700 28.738 0.088 0.000 1.186 111 Q HN 0.262 8.532 8.270 -0.000 0.000 0.354 112 L N 0.576 121.702 121.223 -0.162 0.000 2.187 112 L HA -0.056 4.282 4.340 -0.003 0.000 0.213 112 L C 1.257 177.790 176.870 -0.561 0.000 1.100 112 L CA 0.969 55.666 54.840 -0.239 0.000 0.765 112 L CB -0.291 41.927 42.059 0.264 0.000 0.904 112 L HN 0.143 8.373 8.230 -0.000 0.000 0.437 113 R N 0.564 120.509 120.500 -0.925 0.000 2.486 113 R HA 0.040 4.378 4.340 -0.003 0.000 0.303 113 R C 1.027 176.937 176.300 -0.649 0.000 0.958 113 R CA 1.049 56.375 56.100 -1.290 0.000 1.077 113 R CB 0.039 29.734 30.300 -1.007 0.000 0.921 113 R HN 0.398 8.668 8.270 -0.000 0.000 0.406 114 G N 3.590 112.082 108.800 -0.512 0.000 2.279 114 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.223 114 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.223 114 G C -0.097 174.723 174.900 -0.134 0.000 1.015 114 G CA -0.108 44.845 45.100 -0.244 0.000 0.621 114 G HN 0.522 8.812 8.290 -0.000 0.000 0.506 115 K N 0.737 121.039 120.400 -0.163 0.000 2.143 115 K HA 0.520 4.838 4.320 -0.003 0.000 0.239 115 K C 0.275 176.952 176.600 0.129 0.000 1.048 115 K CA 0.068 56.300 56.287 -0.092 0.000 0.867 115 K CB 0.357 32.663 32.500 -0.323 0.000 1.088 115 K HN 0.352 8.602 8.250 -0.000 0.000 0.510 116 K N 0.730 121.163 120.400 0.055 0.000 2.274 116 K HA 0.206 4.524 4.320 -0.003 0.000 0.262 116 K C -0.560 175.979 176.600 -0.102 0.000 0.961 116 K CA -0.394 55.920 56.287 0.044 0.000 0.833 116 K CB 1.567 34.085 32.500 0.029 0.000 1.102 116 K HN 0.667 8.917 8.250 -0.000 0.000 0.436 117 S N 1.185 116.740 115.700 -0.242 0.000 2.472 117 S HA 0.458 4.926 4.470 -0.003 0.000 0.303 117 S C -0.341 173.992 174.600 -0.445 0.000 1.099 117 S CA -0.807 57.074 58.200 -0.533 0.000 1.077 117 S CB 0.760 63.353 63.200 -1.012 0.000 1.031 117 S HN 0.563 8.873 8.310 -0.000 0.000 0.487 118 c N 4.910 123.194 118.600 -0.527 0.000 2.298 118 c HA 0.640 5.209 4.570 -0.003 0.000 0.323 118 c C 0.137 174.007 174.090 -0.366 0.000 1.284 118 c CA -0.611 55.517 56.329 -0.334 0.000 1.577 118 c CB -0.666 41.678 42.510 -0.275 0.000 2.249 118 c HN 0.896 9.126 8.230 -0.000 0.000 0.497 119 H N 0.978 120.120 119.070 0.120 0.000 2.710 119 H HA 0.347 4.901 4.556 -0.003 0.000 0.361 119 H C 0.848 176.213 175.328 0.062 0.000 1.175 119 H CA -0.159 55.995 56.048 0.177 0.000 1.206 119 H CB 1.654 31.569 29.762 0.256 0.000 1.750 119 H HN 0.658 8.938 8.280 -0.000 0.000 0.553 120 T N -1.278 113.347 114.554 0.118 0.000 3.009 120 T HA 0.253 4.601 4.350 -0.003 0.000 0.258 120 T C 0.974 175.528 174.700 -0.244 0.000 1.063 120 T CA 0.431 62.451 62.100 -0.134 0.000 1.139 120 T CB 0.340 69.041 68.868 -0.278 0.000 0.890 120 T HN 0.772 9.012 8.240 -0.000 0.000 0.471 121 G N 0.614 109.367 108.800 -0.079 0.000 2.503 121 G HA2 0.438 4.396 3.960 -0.003 0.000 0.305 121 G HA3 0.438 4.396 3.960 -0.003 0.000 0.305 121 G C -1.453 173.389 174.900 -0.097 0.000 1.575 121 G CA -1.059 43.983 45.100 -0.097 0.000 0.890 121 G HN 0.502 8.792 8.290 -0.000 0.000 0.612 122 L N 2.111 123.177 121.223 -0.263 0.000 2.499 122 L HA 0.436 4.774 4.340 -0.003 0.000 0.273 122 L C 1.498 178.082 176.870 -0.477 0.000 1.195 122 L CA 2.028 56.432 54.840 -0.726 0.000 0.882 122 L CB 0.697 42.216 42.059 -0.901 0.000 1.133 122 L HN 1.974 10.204 8.230 -0.000 0.000 0.483 123 G N 3.678 112.216 108.800 -0.436 0.000 2.284 123 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.230 123 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.230 123 G C 0.466 175.356 174.900 -0.017 0.000 1.021 123 G CA -0.028 44.981 45.100 -0.151 0.000 0.619 123 G HN 0.609 8.899 8.290 -0.000 0.000 0.510 124 R N 1.308 121.796 120.500 -0.020 0.000 2.401 124 R HA 0.495 4.833 4.340 -0.003 0.000 0.299 124 R C 1.487 177.815 176.300 0.046 0.000 1.064 124 R CA 0.334 56.411 56.100 -0.038 0.000 1.000 124 R CB 0.936 31.151 30.300 -0.142 0.000 0.973 124 R HN 0.211 8.481 8.270 -0.000 0.000 0.438 125 S N 2.636 118.372 115.700 0.060 0.000 2.359 125 S HA -0.273 4.195 4.470 -0.003 0.000 0.223 125 S C 1.935 176.629 174.600 0.156 0.000 1.039 125 S CA 1.972 60.252 58.200 0.134 0.000 1.042 125 S CB -0.082 63.249 63.200 0.218 0.000 0.915 125 S HN 0.811 9.121 8.310 -0.000 0.000 0.439 126 A N 0.681 123.615 122.820 0.191 0.000 1.969 126 A HA 0.162 4.480 4.320 -0.003 0.000 0.218 126 A C 2.210 179.897 177.584 0.173 0.000 1.169 126 A CA 1.614 53.798 52.037 0.246 0.000 0.635 126 A CB -0.970 18.266 19.000 0.392 0.000 0.810 126 A HN 0.540 8.690 8.150 -0.000 0.000 0.445 127 G N -2.470 106.406 108.800 0.128 0.000 2.459 127 G HA2 -0.027 3.931 3.960 -0.003 0.000 0.213 127 G HA3 -0.027 3.931 3.960 -0.003 0.000 0.213 127 G C 1.380 176.424 174.900 0.241 0.000 1.155 127 G CA 0.828 46.055 45.100 0.211 0.000 0.811 127 G HN 0.586 8.876 8.290 -0.000 0.000 0.534 128 W N 0.416 121.672 121.300 -0.072 0.000 3.954 128 W HA 0.092 4.750 4.660 -0.003 0.000 0.217 128 W C 1.760 178.179 176.519 -0.167 0.000 0.896 128 W CA 0.231 57.475 57.345 -0.168 0.000 2.196 128 W CB -0.197 29.153 29.460 -0.184 0.000 1.005 128 W HN 0.081 8.261 8.180 -0.000 0.000 0.782 129 N N 1.611 120.378 118.700 0.112 0.000 2.060 129 N HA -0.237 4.501 4.740 -0.003 0.000 0.195 129 N C 1.641 177.048 175.510 -0.172 0.000 1.028 129 N CA 2.790 55.828 53.050 -0.021 0.000 0.861 129 N CB -0.875 37.637 38.487 0.043 0.000 1.029 129 N HN 0.265 8.645 8.380 -0.000 0.000 0.428 130 I N 0.684 121.180 120.570 -0.124 0.000 2.296 130 I HA -0.082 4.087 4.170 -0.003 0.000 0.242 130 I C -0.737 175.253 176.117 -0.212 0.000 1.087 130 I CA 0.666 61.881 61.300 -0.142 0.000 1.393 130 I CB -1.313 36.694 38.000 0.012 0.000 1.093 130 I HN 0.112 8.322 8.210 -0.000 0.000 0.421 131 P HA -0.153 4.267 4.420 -0.000 0.000 0.216 131 P C 1.881 178.920 177.300 -0.435 0.000 1.153 131 P CA 1.565 64.388 63.100 -0.461 0.000 0.848 131 P CB 0.001 31.022 31.700 -1.132 0.000 0.787 132 I N 0.609 120.850 120.570 -0.549 0.000 2.113 132 I HA -0.125 4.044 4.170 -0.003 0.000 0.238 132 I C 2.828 178.744 176.117 -0.336 0.000 1.070 132 I CA 1.917 62.885 61.300 -0.553 0.000 1.332 132 I CB -2.342 35.087 38.000 -0.951 0.000 1.044 132 I HN 0.026 8.236 8.210 -0.000 0.000 0.402 133 G N 1.382 109.990 108.800 -0.320 0.000 2.547 133 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.221 133 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.221 133 G C 1.827 176.628 174.900 -0.166 0.000 1.140 133 G CA 1.034 45.980 45.100 -0.256 0.000 0.760 133 G HN 0.365 8.655 8.290 -0.000 0.000 0.583 134 L N -0.320 120.802 121.223 -0.167 0.000 2.072 134 L HA 0.098 4.436 4.340 -0.003 0.000 0.205 134 L C 2.676 179.508 176.870 -0.064 0.000 1.079 134 L CA 0.494 55.269 54.840 -0.107 0.000 0.752 134 L CB -0.344 41.662 42.059 -0.088 0.000 0.906 134 L HN 0.150 8.380 8.230 -0.000 0.000 0.436 135 L N -1.918 119.242 121.223 -0.105 0.000 2.552 135 L HA -0.133 4.206 4.340 -0.003 0.000 0.227 135 L C 2.315 179.068 176.870 -0.195 0.000 1.146 135 L CA 0.102 54.864 54.840 -0.131 0.000 0.858 135 L CB -0.651 41.271 42.059 -0.227 0.000 0.969 135 L HN 0.154 8.384 8.230 -0.000 0.000 0.451 136 Y N 1.329 121.470 120.300 -0.265 0.000 2.024 136 Y HA -0.423 4.125 4.550 -0.003 0.000 0.257 136 Y C 2.347 178.135 175.900 -0.185 0.000 1.233 136 Y CA 1.811 59.765 58.100 -0.244 0.000 1.087 136 Y CB -0.710 37.636 38.460 -0.189 0.000 0.905 136 Y HN 0.183 8.463 8.280 -0.000 0.000 0.503 137 c N 1.254 119.748 118.600 -0.175 0.000 2.477 137 c HA 0.001 4.569 4.570 -0.003 0.000 0.321 137 c C 1.140 175.134 174.090 -0.160 0.000 1.369 137 c CA 0.723 56.930 56.329 -0.203 0.000 1.607 137 c CB -1.779 40.702 42.510 -0.048 0.000 1.632 137 c HN 0.486 8.716 8.230 -0.000 0.000 0.597 138 D N -0.551 119.738 120.400 -0.186 0.000 2.500 138 D HA 0.196 4.834 4.640 -0.003 0.000 0.218 138 D C 0.394 176.681 176.300 -0.022 0.000 1.140 138 D CA 0.109 54.092 54.000 -0.029 0.000 0.830 138 D CB 0.145 41.019 40.800 0.123 0.000 1.055 138 D HN 0.375 8.745 8.370 -0.000 0.000 0.512 139 L N 3.135 124.160 121.223 -0.329 0.000 2.380 139 L HA 0.299 4.638 4.340 -0.003 0.000 0.273 139 L C -2.036 174.737 176.870 -0.162 0.000 1.138 139 L CA -1.690 52.959 54.840 -0.319 0.000 0.832 139 L CB 0.256 42.021 42.059 -0.490 0.000 1.124 139 L HN -0.231 7.999 8.230 -0.000 0.000 0.454 140 P HA 0.039 4.459 4.420 -0.000 0.000 0.267 140 P C -1.001 176.257 177.300 -0.070 0.000 1.205 140 P CA -0.411 62.666 63.100 -0.039 0.000 0.765 140 P CB 0.553 32.256 31.700 0.005 0.000 0.828 141 E N 5.228 125.384 120.200 -0.073 0.000 2.392 141 E HA 0.180 4.529 4.350 -0.003 0.000 0.264 141 E C -1.722 174.864 176.600 -0.023 0.000 1.024 141 E CA -1.999 54.364 56.400 -0.061 0.000 0.903 141 E CB -1.197 28.474 29.700 -0.048 0.000 0.963 141 E HN 0.419 8.779 8.360 -0.000 0.000 0.432 142 P HA 0.039 4.459 4.420 -0.000 0.000 0.266 142 P C -0.389 176.902 177.300 -0.015 0.000 1.215 142 P CA -0.054 63.046 63.100 0.001 0.000 0.763 142 P CB 0.696 32.413 31.700 0.029 0.000 0.806 143 R N 1.828 122.306 120.500 -0.036 0.000 2.320 143 R HA 0.139 4.477 4.340 -0.003 0.000 0.211 143 R C 0.342 176.666 176.300 0.039 0.000 0.931 143 R CA 0.091 56.155 56.100 -0.061 0.000 1.071 143 R CB 0.317 30.497 30.300 -0.200 0.000 1.025 143 R HN 0.353 8.623 8.270 -0.000 0.000 0.495 144 K N 1.586 122.016 120.400 0.049 0.000 2.413 144 K HA 0.360 4.678 4.320 -0.003 0.000 0.257 144 K C -2.431 174.217 176.600 0.079 0.000 0.946 144 K CA -2.100 54.228 56.287 0.069 0.000 0.823 144 K CB 2.478 35.020 32.500 0.071 0.000 1.109 144 K HN -0.086 8.164 8.250 -0.000 0.000 0.427 145 P HA 0.134 4.554 4.420 -0.000 0.000 0.276 145 P C 0.796 178.099 177.300 0.006 0.000 1.261 145 P CA -0.650 62.483 63.100 0.055 0.000 0.800 145 P CB 1.040 32.781 31.700 0.067 0.000 1.066 146 L N 1.102 122.341 121.223 0.025 0.000 2.027 146 L HA -0.139 4.199 4.340 -0.003 0.000 0.206 146 L C 2.344 179.205 176.870 -0.015 0.000 1.074 146 L CA 1.874 56.749 54.840 0.058 0.000 0.745 146 L CB -1.304 40.849 42.059 0.157 0.000 0.898 146 L HN 0.360 8.590 8.230 -0.000 0.000 0.433 147 E N -0.481 119.632 120.200 -0.146 0.000 2.233 147 E HA -0.306 4.043 4.350 -0.003 0.000 0.199 147 E C 2.010 178.217 176.600 -0.655 0.000 1.004 147 E CA 1.302 57.458 56.400 -0.406 0.000 0.819 147 E CB -0.116 29.081 29.700 -0.838 0.000 0.738 147 E HN 0.517 8.877 8.360 -0.000 0.000 0.478 148 K N 0.732 120.802 120.400 -0.550 0.000 1.980 148 K HA -0.052 4.266 4.320 -0.003 0.000 0.208 148 K C 2.225 178.826 176.600 0.002 0.000 1.043 148 K CA 0.966 57.169 56.287 -0.139 0.000 0.938 148 K CB -0.143 32.413 32.500 0.092 0.000 0.724 148 K HN 0.043 8.293 8.250 -0.000 0.000 0.438 149 A N 1.002 123.811 122.820 -0.018 0.000 2.032 149 A HA -0.135 4.184 4.320 -0.003 0.000 0.221 149 A C 2.099 179.669 177.584 -0.025 0.000 1.165 149 A CA 1.992 54.012 52.037 -0.029 0.000 0.645 149 A CB -0.709 18.231 19.000 -0.100 0.000 0.807 149 A HN 0.348 8.498 8.150 -0.000 0.000 0.453 150 V N -3.491 116.423 119.914 0.001 0.000 2.878 150 V HA 0.244 4.362 4.120 -0.003 0.000 0.250 150 V C 2.386 178.648 176.094 0.280 0.000 1.075 150 V CA 1.225 63.576 62.300 0.086 0.000 1.096 150 V CB -0.994 30.864 31.823 0.059 0.000 0.724 150 V HN 0.424 8.614 8.190 -0.000 0.000 0.467 151 A N 1.053 123.997 122.820 0.207 0.000 2.014 151 A HA -0.031 4.287 4.320 -0.003 0.000 0.218 151 A C 1.676 179.395 177.584 0.226 0.000 1.163 151 A CA 1.624 53.809 52.037 0.247 0.000 0.652 151 A CB -0.690 18.454 19.000 0.240 0.000 0.808 151 A HN 0.582 8.732 8.150 -0.000 0.000 0.449 152 N N -1.699 117.108 118.700 0.177 0.000 2.327 152 N HA 0.230 4.968 4.740 -0.003 0.000 0.231 152 N C 0.120 175.716 175.510 0.144 0.000 1.130 152 N CA 0.140 53.271 53.050 0.136 0.000 0.845 152 N CB 0.138 38.685 38.487 0.099 0.000 1.073 152 N HN 0.590 8.970 8.380 -0.000 0.000 0.496 153 F N -0.926 118.984 119.950 -0.067 0.000 2.754 153 F HA 0.401 4.927 4.527 -0.003 0.000 0.316 153 F C -0.621 174.947 175.800 -0.386 0.000 0.959 153 F CA -0.308 57.524 58.000 -0.280 0.000 1.148 153 F CB 0.487 39.223 39.000 -0.439 0.000 0.951 153 F HN -0.277 8.023 8.300 -0.000 0.000 0.625 154 F N 1.269 121.370 119.950 0.251 0.000 2.458 154 F HA 0.303 4.829 4.527 -0.003 0.000 0.330 154 F C 1.183 177.026 175.800 0.071 0.000 1.082 154 F CA -0.976 57.095 58.000 0.120 0.000 0.995 154 F CB 1.454 40.596 39.000 0.238 0.000 1.170 154 F HN -0.071 8.229 8.300 -0.000 0.000 0.478 155 S N 1.220 117.032 115.700 0.187 0.000 3.544 155 S HA 0.506 4.974 4.470 -0.003 0.000 0.227 155 S C 0.326 175.014 174.600 0.148 0.000 1.387 155 S CA 0.024 58.295 58.200 0.118 0.000 1.182 155 S CB -1.196 62.036 63.200 0.054 0.000 1.243 155 S HN 1.392 9.702 8.310 -0.000 0.000 0.467 156 G N 0.226 109.150 108.800 0.207 0.000 2.697 156 G HA2 0.201 4.159 3.960 -0.003 0.000 0.686 156 G HA3 0.201 4.159 3.960 -0.003 0.000 0.686 156 G C -0.551 174.465 174.900 0.194 0.000 1.179 156 G CA -0.495 44.717 45.100 0.186 0.000 0.765 156 G HN 0.830 9.120 8.290 -0.000 0.000 0.649 157 S N -1.419 114.397 115.700 0.193 0.000 2.929 157 S HA 0.793 5.262 4.470 -0.003 0.000 0.311 157 S C -0.960 173.758 174.600 0.197 0.000 1.213 157 S CA -0.015 58.291 58.200 0.177 0.000 0.908 157 S CB 1.764 65.119 63.200 0.260 0.000 1.287 157 S HN 2.144 10.454 8.310 -0.000 0.000 0.594 158 c N 2.146 120.891 118.600 0.242 0.000 2.660 158 c HA 0.800 5.369 4.570 -0.003 0.000 0.336 158 c C -0.674 173.613 174.090 0.327 0.000 1.058 158 c CA -0.198 56.281 56.329 0.250 0.000 1.368 158 c CB -0.831 41.833 42.510 0.255 0.000 1.884 158 c HN 0.894 9.124 8.230 -0.000 0.000 0.454 159 A N 7.387 130.360 122.820 0.255 0.000 2.644 159 A HA 0.673 4.991 4.320 -0.003 0.000 0.343 159 A C -2.723 174.911 177.584 0.084 0.000 1.324 159 A CA -1.199 50.940 52.037 0.170 0.000 0.846 159 A CB 0.095 19.124 19.000 0.048 0.000 1.128 159 A HN 0.685 8.835 8.150 -0.000 0.000 0.484 160 P HA 0.143 4.563 4.420 -0.000 0.000 0.261 160 P C 0.276 177.618 177.300 0.071 0.000 1.173 160 P CA 0.623 63.830 63.100 0.179 0.000 0.760 160 P CB 0.078 31.987 31.700 0.348 0.000 0.783 161 c N 1.474 120.102 118.600 0.046 0.000 4.550 161 c HA 0.001 4.570 4.570 -0.003 0.000 0.282 161 c C 0.908 174.939 174.090 -0.099 0.000 1.290 161 c CA 0.066 56.380 56.329 -0.024 0.000 1.964 161 c CB -2.748 39.745 42.510 -0.029 0.000 1.284 161 c HN 0.747 8.977 8.230 -0.000 0.000 0.758 162 A N -0.494 122.281 122.820 -0.075 0.000 2.299 162 A HA 0.673 4.991 4.320 -0.003 0.000 0.332 162 A C 0.074 177.674 177.584 0.028 0.000 1.131 162 A CA -0.009 51.971 52.037 -0.094 0.000 0.844 162 A CB 0.413 19.347 19.000 -0.109 0.000 1.251 162 A HN 0.329 8.479 8.150 -0.000 0.000 0.486 163 D N 1.378 121.848 120.400 0.117 0.000 2.541 163 D HA 0.211 4.850 4.640 -0.003 0.000 0.231 163 D C 1.413 177.846 176.300 0.222 0.000 1.163 163 D CA 0.807 54.935 54.000 0.214 0.000 1.077 163 D CB -0.141 40.916 40.800 0.430 0.000 1.110 163 D HN 0.604 8.974 8.370 -0.000 0.000 0.499 164 G N 1.711 110.583 108.800 0.120 0.000 2.708 164 G HA2 -0.155 3.803 3.960 -0.003 0.000 0.210 164 G HA3 -0.155 3.803 3.960 -0.003 0.000 0.210 164 G C 1.379 176.312 174.900 0.055 0.000 1.141 164 G CA 0.373 45.535 45.100 0.103 0.000 0.788 164 G HN 0.365 8.655 8.290 -0.000 0.000 0.531 165 T N 0.245 114.810 114.554 0.018 0.000 2.914 165 T HA -0.013 4.336 4.350 -0.003 0.000 0.240 165 T C 1.892 176.520 174.700 -0.119 0.000 1.025 165 T CA 0.861 62.938 62.100 -0.038 0.000 1.198 165 T CB -0.069 68.772 68.868 -0.045 0.000 0.892 165 T HN 0.204 8.444 8.240 -0.000 0.000 0.417 166 D N 0.404 120.650 120.400 -0.257 0.000 2.312 166 D HA -0.001 4.637 4.640 -0.003 0.000 0.211 166 D C -0.338 175.445 176.300 -0.862 0.000 0.964 166 D CA 0.902 54.527 54.000 -0.625 0.000 0.877 166 D CB 0.105 40.360 40.800 -0.908 0.000 0.924 166 D HN 0.393 8.763 8.370 -0.000 0.000 0.515 167 F N -0.073 119.901 119.950 0.039 0.000 2.708 167 F HA 0.227 4.752 4.527 -0.003 0.000 0.344 167 F C -1.838 173.998 175.800 0.060 0.000 1.447 167 F CA -1.749 56.285 58.000 0.058 0.000 1.140 167 F CB 1.401 40.443 39.000 0.071 0.000 1.657 167 F HN -0.234 8.066 8.300 -0.000 0.000 0.598 168 P HA -0.204 4.216 4.420 -0.000 0.000 0.218 168 P C 0.960 178.345 177.300 0.142 0.000 1.149 168 P CA 1.498 64.666 63.100 0.114 0.000 0.817 168 P CB 0.423 32.162 31.700 0.065 0.000 0.785 169 Q N 0.308 120.209 119.800 0.167 0.000 2.156 169 Q HA -0.171 4.167 4.340 -0.003 0.000 0.211 169 Q C 2.130 178.245 176.000 0.191 0.000 0.995 169 Q CA 1.429 57.336 55.803 0.173 0.000 0.877 169 Q CB -1.532 27.325 28.738 0.198 0.000 0.920 169 Q HN 0.248 8.518 8.270 -0.000 0.000 0.416 170 L N -0.908 120.444 121.223 0.216 0.000 2.633 170 L HA -0.081 4.257 4.340 -0.003 0.000 0.235 170 L C 0.631 177.610 176.870 0.181 0.000 1.163 170 L CA 0.681 55.650 54.840 0.215 0.000 0.859 170 L CB 0.138 42.319 42.059 0.204 0.000 0.973 170 L HN 0.344 8.574 8.230 -0.000 0.000 0.451 171 c N -2.411 116.279 118.600 0.151 0.000 3.240 171 c HA 0.124 4.693 4.570 -0.003 0.000 0.271 171 c C 2.190 176.346 174.090 0.110 0.000 1.534 171 c CA -0.786 55.618 56.329 0.125 0.000 1.796 171 c CB -0.616 41.952 42.510 0.097 0.000 2.892 171 c HN 0.530 8.760 8.230 -0.000 0.000 0.566 172 Q N 1.210 121.082 119.800 0.120 0.000 2.061 172 Q HA -0.170 4.168 4.340 -0.003 0.000 0.204 172 Q C 1.504 177.566 176.000 0.103 0.000 0.984 172 Q CA 1.726 57.590 55.803 0.101 0.000 0.846 172 Q CB 0.018 28.820 28.738 0.107 0.000 0.902 172 Q HN 0.544 8.814 8.270 -0.000 0.000 0.421 173 L N -0.120 121.184 121.223 0.134 0.000 2.478 173 L HA 0.034 4.372 4.340 -0.003 0.000 0.223 173 L C 0.674 177.658 176.870 0.189 0.000 1.140 173 L CA 0.417 55.361 54.840 0.174 0.000 0.842 173 L CB 0.077 42.250 42.059 0.189 0.000 0.953 173 L HN 0.494 8.724 8.230 -0.000 0.000 0.452 174 c N -3.641 115.036 118.600 0.128 0.000 3.220 174 c HA 0.509 5.077 4.570 -0.003 0.000 0.352 174 c C -2.916 171.200 174.090 0.044 0.000 1.031 174 c CA -2.044 54.312 56.329 0.045 0.000 1.338 174 c CB 0.287 42.864 42.510 0.111 0.000 1.763 174 c HN -0.028 8.202 8.230 -0.000 0.000 0.548 175 P HA 0.448 4.868 4.420 -0.000 0.000 0.271 175 P C 1.185 178.490 177.300 0.009 0.000 1.216 175 P CA 2.251 65.362 63.100 0.019 0.000 0.771 175 P CB 0.729 32.431 31.700 0.004 0.000 0.864 176 G N 2.096 110.908 108.800 0.019 0.000 2.232 176 G HA2 -0.295 3.663 3.960 -0.003 0.000 0.226 176 G HA3 -0.295 3.663 3.960 -0.003 0.000 0.226 176 G C 0.527 175.438 174.900 0.019 0.000 0.996 176 G CA -0.207 44.898 45.100 0.010 0.000 0.626 176 G HN 0.646 8.936 8.290 -0.000 0.000 0.509 177 c N 1.202 119.826 118.600 0.041 0.000 3.989 177 c HA -0.023 4.545 4.570 -0.003 0.000 0.297 177 c C 1.871 175.987 174.090 0.043 0.000 1.435 177 c CA 0.705 57.070 56.329 0.060 0.000 2.040 177 c CB -1.961 40.584 42.510 0.059 0.000 1.308 177 c HN 1.986 10.216 8.230 -0.000 0.000 0.704 178 G N -0.029 108.785 108.800 0.023 0.000 2.202 178 G HA2 0.213 4.172 3.960 -0.003 0.000 0.251 178 G HA3 0.213 4.172 3.960 -0.003 0.000 0.251 178 G C 0.553 175.429 174.900 -0.040 0.000 1.219 178 G CA 0.462 45.541 45.100 -0.034 0.000 0.943 178 G HN 0.996 9.286 8.290 -0.000 0.000 0.465 179 c N 4.108 122.641 118.600 -0.112 0.000 2.439 179 c HA 0.656 5.225 4.570 -0.003 0.000 0.411 179 c C 1.029 174.719 174.090 -0.667 0.000 1.337 179 c CA -0.046 56.204 56.329 -0.131 0.000 1.716 179 c CB -2.770 39.722 42.510 -0.031 0.000 2.332 179 c HN 0.927 9.157 8.230 -0.000 0.000 0.594 180 S N -1.299 113.730 115.700 -1.118 0.000 2.615 180 S HA 0.329 4.797 4.470 -0.003 0.000 0.269 180 S C 0.707 174.716 174.600 -0.985 0.000 1.161 180 S CA 0.365 57.845 58.200 -1.200 0.000 0.817 180 S CB 0.832 63.743 63.200 -0.482 0.000 1.131 180 S HN 0.484 8.794 8.310 -0.000 0.000 0.467 181 T N 0.061 114.315 114.554 -0.499 0.000 2.897 181 T HA -0.035 4.313 4.350 -0.003 0.000 0.271 181 T C 1.770 176.447 174.700 -0.038 0.000 1.084 181 T CA 1.329 63.399 62.100 -0.050 0.000 1.123 181 T CB -0.826 68.071 68.868 0.047 0.000 0.865 181 T HN 0.524 8.764 8.240 -0.000 0.000 0.496 182 L N 1.013 122.168 121.223 -0.114 0.000 2.187 182 L HA -0.014 4.325 4.340 -0.003 0.000 0.213 182 L C 1.466 178.309 176.870 -0.046 0.000 1.100 182 L CA 0.718 55.516 54.840 -0.071 0.000 0.765 182 L CB -0.565 41.439 42.059 -0.092 0.000 0.904 182 L HN 0.299 8.529 8.230 -0.000 0.000 0.437 183 N N 0.788 119.461 118.700 -0.044 0.000 2.415 183 N HA -0.040 4.699 4.740 -0.003 0.000 0.250 183 N C 0.999 176.577 175.510 0.112 0.000 1.127 183 N CA -0.015 53.048 53.050 0.022 0.000 0.945 183 N CB 1.059 39.593 38.487 0.078 0.000 1.196 183 N HN 0.298 8.678 8.380 -0.000 0.000 0.499 184 Q N 2.909 122.735 119.800 0.043 0.000 2.443 184 Q HA -0.157 4.181 4.340 -0.003 0.000 0.213 184 Q C -0.134 176.077 176.000 0.351 0.000 0.982 184 Q CA 1.412 57.287 55.803 0.120 0.000 0.894 184 Q CB -0.119 28.633 28.738 0.022 0.000 0.947 184 Q HN 0.533 8.803 8.270 -0.000 0.000 0.480 185 Y N -0.581 119.786 120.300 0.112 0.000 2.485 185 Y HA 0.266 4.815 4.550 -0.003 0.000 0.260 185 Y C 0.001 175.989 175.900 0.146 0.000 1.173 185 Y CA -1.993 56.168 58.100 0.100 0.000 1.252 185 Y CB -0.228 38.275 38.460 0.071 0.000 1.123 185 Y HN 0.145 8.425 8.280 -0.000 0.000 0.524 186 F N 1.042 121.102 119.950 0.182 0.000 2.459 186 F HA 0.473 4.998 4.527 -0.003 0.000 0.346 186 F C 1.124 176.984 175.800 0.099 0.000 1.128 186 F CA 0.864 58.931 58.000 0.111 0.000 1.268 186 F CB 0.403 39.442 39.000 0.065 0.000 1.161 186 F HN 0.302 8.602 8.300 -0.000 0.000 0.583 187 G N 4.442 112.748 108.800 -0.825 0.000 2.752 187 G HA2 -0.371 3.588 3.960 -0.003 0.000 0.234 187 G HA3 -0.371 3.588 3.960 -0.003 0.000 0.234 187 G C 0.085 174.879 174.900 -0.175 0.000 1.367 187 G CA 0.189 44.887 45.100 -0.670 0.000 0.879 187 G HN 0.813 9.103 8.290 -0.000 0.000 0.563 188 Y N 0.678 120.872 120.300 -0.177 0.000 2.114 188 Y HA -0.148 4.400 4.550 -0.003 0.000 0.282 188 Y C 3.425 179.308 175.900 -0.028 0.000 1.165 188 Y CA 2.694 60.738 58.100 -0.093 0.000 1.148 188 Y CB -0.597 37.797 38.460 -0.111 0.000 0.972 188 Y HN 0.438 8.718 8.280 -0.000 0.000 0.504 189 S N -1.139 114.663 115.700 0.171 0.000 2.439 189 S HA 0.029 4.497 4.470 -0.003 0.000 0.224 189 S C 2.299 176.991 174.600 0.153 0.000 1.029 189 S CA 0.597 58.887 58.200 0.150 0.000 0.946 189 S CB -0.519 62.749 63.200 0.114 0.000 0.797 189 S HN 0.565 8.875 8.310 -0.000 0.000 0.504 190 G N 1.939 110.820 108.800 0.134 0.000 2.414 190 G HA2 -0.023 3.936 3.960 -0.003 0.000 0.215 190 G HA3 -0.023 3.936 3.960 -0.003 0.000 0.215 190 G C 1.574 176.490 174.900 0.026 0.000 1.188 190 G CA 0.742 45.932 45.100 0.150 0.000 0.783 190 G HN 0.551 8.841 8.290 -0.000 0.000 0.537 191 A N 0.081 122.917 122.820 0.026 0.000 2.024 191 A HA 0.029 4.347 4.320 -0.003 0.000 0.220 191 A C 2.127 179.665 177.584 -0.077 0.000 1.164 191 A CA 1.615 53.627 52.037 -0.042 0.000 0.643 191 A CB -0.485 18.528 19.000 0.022 0.000 0.806 191 A HN 0.414 8.564 8.150 -0.000 0.000 0.451 192 F N 0.416 120.287 119.950 -0.132 0.000 2.234 192 F HA 0.018 4.543 4.527 -0.003 0.000 0.296 192 F C 2.025 177.703 175.800 -0.205 0.000 1.089 192 F CA 1.733 59.625 58.000 -0.180 0.000 1.343 192 F CB -0.236 38.661 39.000 -0.170 0.000 1.040 192 F HN 0.203 8.503 8.300 -0.000 0.000 0.498 193 K N -0.377 119.807 120.400 -0.360 0.000 2.097 193 K HA -0.205 4.114 4.320 -0.003 0.000 0.205 193 K C 2.416 178.665 176.600 -0.585 0.000 1.050 193 K CA 1.319 57.352 56.287 -0.424 0.000 0.938 193 K CB -0.749 31.676 32.500 -0.125 0.000 0.718 193 K HN 0.435 8.685 8.250 -0.000 0.000 0.442 194 c N 0.976 119.060 118.600 -0.860 0.000 2.401 194 c HA -0.107 4.461 4.570 -0.003 0.000 0.286 194 c C 2.311 176.063 174.090 -0.562 0.000 1.332 194 c CA 0.752 56.368 56.329 -1.188 0.000 1.795 194 c CB -0.907 41.025 42.510 -0.964 0.000 1.922 194 c HN 0.607 8.837 8.230 -0.000 0.000 0.520 195 L N 0.921 121.856 121.223 -0.479 0.000 2.221 195 L HA 0.161 4.499 4.340 -0.003 0.000 0.202 195 L C 2.467 179.174 176.870 -0.272 0.000 1.074 195 L CA 1.996 56.636 54.840 -0.333 0.000 0.795 195 L CB -1.068 40.790 42.059 -0.336 0.000 0.960 195 L HN 0.305 8.535 8.230 -0.000 0.000 0.458 196 K N -0.194 119.949 120.400 -0.429 0.000 2.020 196 K HA -0.223 4.095 4.320 -0.003 0.000 0.212 196 K C 1.353 177.873 176.600 -0.132 0.000 1.050 196 K CA 2.166 58.298 56.287 -0.259 0.000 0.929 196 K CB -0.211 32.080 32.500 -0.349 0.000 0.714 196 K HN 0.350 8.600 8.250 -0.000 0.000 0.443 197 D N -0.639 119.676 120.400 -0.142 0.000 2.392 197 D HA -0.012 4.627 4.640 -0.003 0.000 0.228 197 D C 0.909 177.188 176.300 -0.035 0.000 1.003 197 D CA 1.174 55.146 54.000 -0.047 0.000 0.917 197 D CB -0.083 40.737 40.800 0.033 0.000 0.890 197 D HN 0.583 8.953 8.370 -0.000 0.000 0.532 198 G N 0.629 109.386 108.800 -0.071 0.000 2.225 198 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.267 198 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.267 198 G C 1.183 176.071 174.900 -0.020 0.000 1.024 198 G CA 0.590 45.665 45.100 -0.041 0.000 0.784 198 G HN 0.516 8.806 8.290 -0.000 0.000 0.507 199 A N -1.011 121.786 122.820 -0.037 0.000 2.014 199 A HA 0.560 4.879 4.320 -0.003 0.000 0.218 199 A C 1.679 179.263 177.584 -0.001 0.000 1.163 199 A CA 2.096 54.154 52.037 0.035 0.000 0.652 199 A CB 0.068 19.143 19.000 0.124 0.000 0.808 199 A HN 1.914 10.064 8.150 -0.000 0.000 0.449 200 G N -2.430 106.327 108.800 -0.071 0.000 2.818 200 G HA2 0.460 4.418 3.960 -0.003 0.000 0.286 200 G HA3 0.460 4.418 3.960 -0.003 0.000 0.286 200 G C -0.531 174.337 174.900 -0.053 0.000 1.364 200 G CA -0.003 45.053 45.100 -0.074 0.000 0.938 200 G HN -0.067 8.223 8.290 -0.000 0.000 0.490 201 D N -1.461 118.918 120.400 -0.035 0.000 2.323 201 D HA 0.081 4.720 4.640 -0.003 0.000 0.218 201 D C 0.648 176.999 176.300 0.085 0.000 0.973 201 D CA 0.818 54.861 54.000 0.072 0.000 0.890 201 D CB 1.263 42.112 40.800 0.082 0.000 1.011 201 D HN 0.181 8.551 8.370 -0.000 0.000 0.499 202 V N -0.081 119.763 119.914 -0.117 0.000 2.876 202 V HA 0.733 4.852 4.120 -0.003 0.000 0.312 202 V C -1.741 174.042 176.094 -0.518 0.000 1.085 202 V CA -0.753 61.373 62.300 -0.290 0.000 0.945 202 V CB 1.947 33.499 31.823 -0.452 0.000 1.017 202 V HN 0.046 8.236 8.190 -0.000 0.000 0.428 203 A N 5.795 128.335 122.820 -0.466 0.000 2.340 203 A HA 0.790 5.108 4.320 -0.003 0.000 0.297 203 A C -1.144 176.266 177.584 -0.291 0.000 1.195 203 A CA -0.375 51.450 52.037 -0.354 0.000 0.769 203 A CB 0.506 19.417 19.000 -0.148 0.000 1.163 203 A HN 0.729 8.879 8.150 -0.000 0.000 0.472 204 F N 2.849 122.763 119.950 -0.060 0.000 2.438 204 F HA 0.456 4.981 4.527 -0.003 0.000 0.360 204 F C 0.737 176.595 175.800 0.097 0.000 1.118 204 F CA -0.011 58.007 58.000 0.030 0.000 1.164 204 F CB 1.034 40.052 39.000 0.030 0.000 1.131 204 F HN 0.508 8.808 8.300 -0.000 0.000 0.527 205 V N 0.429 120.527 119.914 0.307 0.000 3.181 205 V HA 0.609 4.727 4.120 -0.003 0.000 0.307 205 V C -0.771 175.528 176.094 0.342 0.000 1.310 205 V CA -1.654 60.836 62.300 0.316 0.000 1.067 205 V CB 1.857 33.790 31.823 0.183 0.000 1.081 205 V HN 0.576 8.766 8.190 -0.000 0.000 0.453 206 K N -0.173 120.441 120.400 0.357 0.000 2.185 206 K HA 0.372 4.690 4.320 -0.003 0.000 0.271 206 K C 1.159 177.783 176.600 0.039 0.000 1.013 206 K CA 0.505 56.944 56.287 0.253 0.000 0.943 206 K CB 1.053 33.530 32.500 -0.038 0.000 0.998 206 K HN 1.018 9.268 8.250 -0.000 0.000 0.468 207 H N 0.636 119.708 119.070 0.003 0.000 2.321 207 H HA -0.211 4.343 4.556 -0.003 0.000 0.295 207 H C 1.476 176.654 175.328 -0.251 0.000 1.102 207 H CA 2.021 57.946 56.048 -0.205 0.000 1.266 207 H CB -0.342 29.137 29.762 -0.471 0.000 1.363 207 H HN 0.728 9.008 8.280 -0.000 0.000 0.492 208 S N -0.306 114.928 115.700 -0.777 0.000 2.469 208 S HA -0.189 4.280 4.470 -0.003 0.000 0.238 208 S C 1.948 176.351 174.600 -0.328 0.000 0.998 208 S CA 1.094 59.026 58.200 -0.447 0.000 0.957 208 S CB -0.734 62.139 63.200 -0.545 0.000 0.764 208 S HN 0.556 8.866 8.310 -0.000 0.000 0.514 209 T N 2.972 117.255 114.554 -0.452 0.000 2.570 209 T HA -0.135 4.213 4.350 -0.003 0.000 0.266 209 T C 1.533 175.820 174.700 -0.687 0.000 1.071 209 T CA 1.836 63.628 62.100 -0.513 0.000 1.172 209 T CB -0.610 67.991 68.868 -0.445 0.000 0.864 209 T HN 0.487 8.727 8.240 -0.000 0.000 0.421 210 I N -0.013 120.001 120.570 -0.926 0.000 2.248 210 I HA -0.209 3.959 4.170 -0.003 0.000 0.248 210 I C 1.728 177.370 176.117 -0.791 0.000 1.107 210 I CA 1.604 62.184 61.300 -1.200 0.000 1.373 210 I CB -0.145 37.177 38.000 -1.131 0.000 1.055 210 I HN 0.207 8.417 8.210 -0.000 0.000 0.418 211 F N 1.049 120.798 119.950 -0.335 0.000 2.293 211 F HA -0.130 4.395 4.527 -0.003 0.000 0.300 211 F C 2.331 178.020 175.800 -0.185 0.000 1.086 211 F CA 1.103 58.981 58.000 -0.202 0.000 1.375 211 F CB -0.483 38.417 39.000 -0.167 0.000 1.045 211 F HN 0.135 8.435 8.300 -0.000 0.000 0.516 212 E N -0.768 119.359 120.200 -0.121 0.000 2.442 212 E HA -0.000 4.348 4.350 -0.003 0.000 0.195 212 E C 1.048 177.584 176.600 -0.106 0.000 1.030 212 E CA 0.289 56.623 56.400 -0.110 0.000 0.869 212 E CB -0.076 29.527 29.700 -0.162 0.000 0.857 212 E HN 0.425 8.785 8.360 -0.000 0.000 0.505 213 N N 0.239 118.829 118.700 -0.183 0.000 2.177 213 N HA 0.196 4.934 4.740 -0.003 0.000 0.218 213 N C -0.736 174.801 175.510 0.045 0.000 1.182 213 N CA 0.185 53.203 53.050 -0.053 0.000 0.882 213 N CB 1.245 39.744 38.487 0.019 0.000 1.052 213 N HN 0.005 8.385 8.380 -0.000 0.000 0.519 214 L N 0.085 121.299 121.223 -0.014 0.000 2.543 214 L HA 0.378 4.716 4.340 -0.003 0.000 0.265 214 L C 0.260 177.157 176.870 0.045 0.000 0.945 214 L CA -0.257 54.616 54.840 0.055 0.000 0.869 214 L CB 2.075 44.175 42.059 0.069 0.000 1.294 214 L HN -0.162 8.068 8.230 -0.000 0.000 0.405 215 A N 2.247 125.105 122.820 0.064 0.000 2.195 215 A HA 0.269 4.587 4.320 -0.003 0.000 0.210 215 A C 0.450 178.080 177.584 0.077 0.000 1.165 215 A CA 0.317 52.394 52.037 0.066 0.000 0.806 215 A CB -0.000 19.031 19.000 0.051 0.000 0.847 215 A HN 0.682 8.832 8.150 -0.000 0.000 0.482 216 N N 0.001 118.749 118.700 0.079 0.000 2.354 216 N HA 0.169 4.907 4.740 -0.003 0.000 0.287 216 N C 0.079 175.642 175.510 0.089 0.000 1.016 216 N CA -0.572 52.524 53.050 0.077 0.000 0.871 216 N CB 1.734 40.257 38.487 0.059 0.000 1.299 216 N HN -0.037 8.343 8.380 -0.000 0.000 0.482 217 K N 1.895 122.352 120.400 0.094 0.000 2.077 217 K HA -0.217 4.102 4.320 -0.003 0.000 0.213 217 K C 1.627 178.275 176.600 0.078 0.000 1.051 217 K CA 1.614 57.962 56.287 0.101 0.000 0.929 217 K CB -0.366 32.186 32.500 0.087 0.000 0.715 217 K HN 0.713 8.963 8.250 -0.000 0.000 0.451 218 A N 1.603 124.458 122.820 0.057 0.000 1.997 218 A HA -0.226 4.092 4.320 -0.003 0.000 0.221 218 A C 1.752 179.355 177.584 0.032 0.000 1.172 218 A CA 2.199 54.258 52.037 0.037 0.000 0.645 218 A CB -0.295 18.722 19.000 0.027 0.000 0.813 218 A HN 0.375 8.525 8.150 -0.000 0.000 0.454 219 D N -1.102 119.334 120.400 0.059 0.000 2.201 219 D HA -0.026 4.612 4.640 -0.003 0.000 0.209 219 D C 2.137 178.520 176.300 0.137 0.000 0.961 219 D CA 0.645 54.688 54.000 0.071 0.000 0.861 219 D CB -0.294 40.577 40.800 0.120 0.000 0.997 219 D HN 0.432 8.802 8.370 -0.000 0.000 0.486 220 R N 0.960 121.563 120.500 0.172 0.000 2.152 220 R HA -0.106 4.232 4.340 -0.003 0.000 0.232 220 R C 1.407 177.810 176.300 0.171 0.000 1.117 220 R CA 0.758 56.986 56.100 0.212 0.000 0.981 220 R CB -0.103 30.234 30.300 0.061 0.000 0.870 220 R HN 0.076 8.346 8.270 -0.000 0.000 0.451 221 D N 0.565 121.020 120.400 0.090 0.000 2.310 221 D HA -0.115 4.523 4.640 -0.003 0.000 0.212 221 D C 1.501 177.797 176.300 -0.007 0.000 0.965 221 D CA 0.940 54.968 54.000 0.047 0.000 0.879 221 D CB 0.131 40.948 40.800 0.029 0.000 0.921 221 D HN 0.027 8.397 8.370 -0.000 0.000 0.510 222 Q N -1.131 118.624 119.800 -0.075 0.000 2.472 222 Q HA 0.069 4.408 4.340 -0.003 0.000 0.208 222 Q C -0.593 175.184 176.000 -0.373 0.000 0.958 222 Q CA 0.397 56.042 55.803 -0.265 0.000 0.932 222 Q CB 0.149 28.638 28.738 -0.415 0.000 1.007 222 Q HN 0.335 8.605 8.270 -0.000 0.000 0.508 223 Y N -0.717 119.579 120.300 -0.008 0.000 2.587 223 Y HA 0.528 5.076 4.550 -0.003 0.000 0.337 223 Y C 0.122 176.010 175.900 -0.020 0.000 1.065 223 Y CA -1.175 56.919 58.100 -0.011 0.000 1.126 223 Y CB 1.632 40.107 38.460 0.025 0.000 1.279 223 Y HN -0.166 8.114 8.280 -0.000 0.000 0.489 224 E N 0.633 120.925 120.200 0.154 0.000 2.446 224 E HA 0.600 4.949 4.350 -0.003 0.000 0.276 224 E C -1.918 174.721 176.600 0.065 0.000 0.969 224 E CA -1.099 55.343 56.400 0.071 0.000 0.800 224 E CB 2.459 32.163 29.700 0.007 0.000 1.341 224 E HN 0.180 8.540 8.360 -0.000 0.000 0.460 225 L N 0.989 122.246 121.223 0.057 0.000 2.342 225 L HA 0.410 4.748 4.340 -0.003 0.000 0.271 225 L C -0.794 176.113 176.870 0.061 0.000 1.008 225 L CA -0.506 54.377 54.840 0.073 0.000 0.818 225 L CB 1.405 43.528 42.059 0.106 0.000 1.296 225 L HN 0.406 8.636 8.230 -0.000 0.000 0.427 226 L N 2.149 123.426 121.223 0.090 0.000 2.261 226 L HA 0.343 4.681 4.340 -0.003 0.000 0.289 226 L C -0.546 176.383 176.870 0.099 0.000 1.059 226 L CA -0.455 54.445 54.840 0.100 0.000 0.816 226 L CB 0.810 42.966 42.059 0.161 0.000 1.191 226 L HN 0.599 8.829 8.230 -0.000 0.000 0.431 227 c N 3.474 122.110 118.600 0.060 0.000 2.605 227 c HA 0.124 4.692 4.570 -0.003 0.000 0.404 227 c C 2.155 176.271 174.090 0.043 0.000 1.284 227 c CA -0.674 55.672 56.329 0.029 0.000 2.199 227 c CB 0.766 43.278 42.510 0.003 0.000 2.647 227 c HN 0.829 9.059 8.230 -0.000 0.000 0.604 228 L N 1.740 122.977 121.223 0.022 0.000 2.187 228 L HA -0.131 4.207 4.340 -0.003 0.000 0.213 228 L C 1.842 178.744 176.870 0.053 0.000 1.100 228 L CA 1.429 56.300 54.840 0.050 0.000 0.765 228 L CB -0.344 41.743 42.059 0.048 0.000 0.904 228 L HN 0.821 9.051 8.230 -0.000 0.000 0.437 229 D N -0.873 119.544 120.400 0.029 0.000 2.663 229 D HA -0.089 4.550 4.640 -0.003 0.000 0.243 229 D C -0.137 176.182 176.300 0.031 0.000 1.218 229 D CA -0.161 53.854 54.000 0.025 0.000 0.846 229 D CB -0.706 40.096 40.800 0.003 0.000 1.014 229 D HN 0.143 8.513 8.370 -0.000 0.000 0.476 230 N N -0.131 118.599 118.700 0.050 0.000 2.714 230 N HA -0.158 4.580 4.740 -0.003 0.000 0.252 230 N C -0.780 174.752 175.510 0.038 0.000 1.014 230 N CA 1.124 54.207 53.050 0.055 0.000 0.735 230 N CB -1.682 36.834 38.487 0.049 0.000 0.924 230 N HN 0.406 8.786 8.380 -0.000 0.000 0.540 231 T N -0.211 114.362 114.554 0.032 0.000 2.865 231 T HA 0.622 4.970 4.350 -0.003 0.000 0.294 231 T C 0.051 174.759 174.700 0.013 0.000 1.119 231 T CA -0.785 61.324 62.100 0.014 0.000 1.007 231 T CB 2.443 71.313 68.868 0.003 0.000 1.225 231 T HN 0.057 8.297 8.240 -0.000 0.000 0.515 232 R N 0.939 121.437 120.500 -0.002 0.000 2.575 232 R HA 0.605 4.943 4.340 -0.003 0.000 0.293 232 R C -0.921 175.377 176.300 -0.003 0.000 0.983 232 R CA -0.857 55.239 56.100 -0.006 0.000 0.887 232 R CB 2.403 32.681 30.300 -0.037 0.000 1.184 232 R HN 0.458 8.728 8.270 -0.000 0.000 0.445 233 K N 2.098 122.504 120.400 0.010 0.000 2.400 233 K HA 0.504 4.822 4.320 -0.003 0.000 0.246 233 K C -2.622 173.997 176.600 0.030 0.000 0.995 233 K CA -2.158 54.135 56.287 0.011 0.000 0.840 233 K CB 2.071 34.573 32.500 0.003 0.000 1.293 233 K HN 0.189 8.439 8.250 -0.000 0.000 0.445 234 P HA -0.037 4.383 4.420 -0.000 0.000 0.269 234 P C 0.791 178.149 177.300 0.098 0.000 1.215 234 P CA -0.129 63.006 63.100 0.059 0.000 0.780 234 P CB 0.607 32.339 31.700 0.054 0.000 0.898 235 V N 1.603 121.586 119.914 0.115 0.000 2.370 235 V HA -0.282 3.836 4.120 -0.003 0.000 0.252 235 V C 1.479 177.772 176.094 0.333 0.000 1.068 235 V CA 2.156 64.541 62.300 0.141 0.000 1.061 235 V CB -1.041 30.786 31.823 0.007 0.000 0.656 235 V HN 0.609 8.799 8.190 -0.000 0.000 0.455 236 D N -0.415 120.173 120.400 0.314 0.000 2.310 236 D HA -0.104 4.534 4.640 -0.003 0.000 0.212 236 D C 1.668 178.025 176.300 0.095 0.000 0.965 236 D CA 0.734 54.942 54.000 0.347 0.000 0.879 236 D CB -0.059 40.861 40.800 0.199 0.000 0.921 236 D HN 0.549 8.919 8.370 -0.000 0.000 0.510 237 E N -0.677 119.550 120.200 0.045 0.000 2.411 237 E HA 0.016 4.364 4.350 -0.003 0.000 0.204 237 E C 0.603 177.121 176.600 -0.137 0.000 1.059 237 E CA -0.300 56.033 56.400 -0.112 0.000 1.112 237 E CB 0.024 29.691 29.700 -0.056 0.000 1.168 237 E HN 0.534 8.894 8.360 -0.000 0.000 0.445 238 Y N -0.125 120.182 120.300 0.012 0.000 2.256 238 Y HA -0.191 4.358 4.550 -0.003 0.000 0.288 238 Y C 1.642 177.463 175.900 -0.131 0.000 1.155 238 Y CA 0.819 58.911 58.100 -0.013 0.000 1.203 238 Y CB -0.390 38.099 38.460 0.050 0.000 0.980 238 Y HN -0.114 8.166 8.280 -0.000 0.000 0.530 239 K N 0.424 120.368 120.400 -0.760 0.000 2.097 239 K HA -0.134 4.184 4.320 -0.003 0.000 0.206 239 K C 0.747 177.260 176.600 -0.145 0.000 1.049 239 K CA 1.554 57.453 56.287 -0.646 0.000 0.933 239 K CB -0.318 31.744 32.500 -0.730 0.000 0.717 239 K HN 0.650 8.900 8.250 -0.000 0.000 0.442 240 D N -0.712 119.586 120.400 -0.170 0.000 2.525 240 D HA 0.031 4.670 4.640 -0.003 0.000 0.229 240 D C -0.364 175.870 176.300 -0.110 0.000 1.202 240 D CA -0.237 53.691 54.000 -0.118 0.000 0.828 240 D CB -0.056 40.676 40.800 -0.112 0.000 1.008 240 D HN -0.017 8.353 8.370 -0.000 0.000 0.493 241 c N 2.540 121.087 118.600 -0.088 0.000 3.127 241 c HA 0.246 4.815 4.570 -0.003 0.000 0.378 241 c C -1.583 172.540 174.090 0.056 0.000 0.961 241 c CA -0.427 55.868 56.329 -0.056 0.000 1.266 241 c CB -0.707 41.803 42.510 0.000 0.000 1.594 241 c HN 0.610 8.840 8.230 -0.000 0.000 0.571 242 H N 2.808 121.913 119.070 0.058 0.000 3.046 242 H HA 0.370 4.924 4.556 -0.003 0.000 0.363 242 H C -0.159 175.246 175.328 0.129 0.000 1.203 242 H CA -0.853 55.269 56.048 0.124 0.000 1.169 242 H CB 0.835 30.684 29.762 0.145 0.000 1.851 242 H HN 0.351 8.631 8.280 -0.000 0.000 0.546 243 L N 0.747 122.126 121.223 0.260 0.000 2.275 243 L HA 0.209 4.548 4.340 -0.003 0.000 0.215 243 L C 0.974 177.967 176.870 0.204 0.000 1.119 243 L CA 1.489 56.440 54.840 0.186 0.000 0.790 243 L CB -0.209 41.964 42.059 0.190 0.000 0.919 243 L HN 0.804 9.034 8.230 -0.000 0.000 0.443 244 A N -0.414 122.625 122.820 0.366 0.000 2.544 244 A HA 0.508 4.826 4.320 -0.003 0.000 0.291 244 A C -1.631 176.112 177.584 0.265 0.000 1.055 244 A CA -0.731 51.490 52.037 0.306 0.000 0.651 244 A CB 0.915 20.049 19.000 0.224 0.000 1.296 244 A HN 0.113 8.263 8.150 -0.000 0.000 0.431 245 Q N 0.503 120.362 119.800 0.098 0.000 2.331 245 Q HA 0.709 5.048 4.340 -0.003 0.000 0.267 245 Q C -1.203 174.693 176.000 -0.172 0.000 1.006 245 Q CA -0.945 54.780 55.803 -0.129 0.000 0.818 245 Q CB 2.038 30.682 28.738 -0.157 0.000 1.276 245 Q HN 0.693 8.963 8.270 -0.000 0.000 0.450 246 V N 1.731 121.420 119.914 -0.374 0.000 2.483 246 V HA 0.473 4.591 4.120 -0.003 0.000 0.297 246 V C -2.574 173.298 176.094 -0.371 0.000 1.027 246 V CA -2.406 59.612 62.300 -0.470 0.000 0.855 246 V CB 1.567 32.922 31.823 -0.780 0.000 0.995 246 V HN 0.719 8.909 8.190 -0.000 0.000 0.424 247 P HA 0.242 4.662 4.420 -0.000 0.000 0.280 247 P C 0.908 178.142 177.300 -0.111 0.000 1.244 247 P CA -0.115 62.631 63.100 -0.591 0.000 0.784 247 P CB 1.289 32.735 31.700 -0.424 0.000 0.913 248 S N 2.851 118.559 115.700 0.015 0.000 2.380 248 S HA -0.149 4.319 4.470 -0.003 0.000 0.217 248 S C 0.430 175.168 174.600 0.230 0.000 1.036 248 S CA 1.079 59.368 58.200 0.149 0.000 1.050 248 S CB -0.916 62.328 63.200 0.072 0.000 1.016 248 S HN 0.568 8.878 8.310 -0.000 0.000 0.419 249 H N -0.561 118.602 119.070 0.155 0.000 2.717 249 H HA 0.534 5.089 4.556 -0.003 0.000 0.366 249 H C -1.424 173.985 175.328 0.136 0.000 1.132 249 H CA -0.721 55.422 56.048 0.159 0.000 1.180 249 H CB 2.107 32.013 29.762 0.240 0.000 1.678 249 H HN 0.296 8.576 8.280 -0.000 0.000 0.537 250 T N 3.352 117.916 114.554 0.017 0.000 2.991 250 T HA 0.173 4.521 4.350 -0.003 0.000 0.303 250 T C -0.662 173.999 174.700 -0.065 0.000 1.015 250 T CA -0.592 61.483 62.100 -0.042 0.000 1.007 250 T CB 1.487 70.239 68.868 -0.193 0.000 1.034 250 T HN 0.219 8.459 8.240 -0.000 0.000 0.446 251 V N 4.707 124.637 119.914 0.028 0.000 2.555 251 V HA 0.471 4.590 4.120 -0.003 0.000 0.286 251 V C 0.661 176.715 176.094 -0.066 0.000 1.044 251 V CA -0.239 62.084 62.300 0.039 0.000 1.026 251 V CB 0.925 32.837 31.823 0.149 0.000 0.981 251 V HN 0.738 8.928 8.190 -0.000 0.000 0.480 252 V N 2.183 122.028 119.914 -0.115 0.000 3.166 252 V HA 1.116 5.235 4.120 -0.003 0.000 0.317 252 V C -0.176 175.834 176.094 -0.141 0.000 1.136 252 V CA -0.348 61.883 62.300 -0.116 0.000 1.035 252 V CB 1.845 33.609 31.823 -0.097 0.000 1.110 252 V HN 1.291 9.481 8.190 -0.000 0.000 0.450 253 A N 0.817 123.575 122.820 -0.104 0.000 2.564 253 A HA 0.756 5.074 4.320 -0.003 0.000 0.291 253 A C -0.474 177.071 177.584 -0.065 0.000 1.102 253 A CA -1.142 50.834 52.037 -0.101 0.000 0.660 253 A CB 1.156 20.109 19.000 -0.077 0.000 1.283 253 A HN 0.930 9.080 8.150 -0.000 0.000 0.430 254 R N 0.364 120.829 120.500 -0.058 0.000 2.734 254 R HA 0.282 4.620 4.340 -0.003 0.000 0.266 254 R C 0.955 177.242 176.300 -0.022 0.000 1.044 254 R CA 0.456 56.532 56.100 -0.041 0.000 1.128 254 R CB 0.451 30.727 30.300 -0.040 0.000 1.010 254 R HN 0.752 9.022 8.270 -0.000 0.000 0.461 255 S N 1.559 117.251 115.700 -0.014 0.000 2.343 255 S HA -0.088 4.381 4.470 -0.003 0.000 0.212 255 S C 0.849 175.449 174.600 -0.000 0.000 1.033 255 S CA 0.980 59.181 58.200 0.002 0.000 1.004 255 S CB -0.046 63.159 63.200 0.008 0.000 0.977 255 S HN 0.455 8.765 8.310 -0.000 0.000 0.427 256 M N 0.708 120.304 119.600 -0.006 0.000 2.200 256 M HA 0.401 4.880 4.480 -0.003 0.000 0.355 256 M C 1.260 177.555 176.300 -0.009 0.000 1.283 256 M CA 0.723 56.021 55.300 -0.005 0.000 1.124 256 M CB 0.801 33.397 32.600 -0.007 0.000 1.625 256 M HN 0.570 8.860 8.290 -0.000 0.000 0.463 257 G N 1.795 110.592 108.800 -0.005 0.000 3.586 257 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.212 257 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.212 257 G C 0.979 175.875 174.900 -0.006 0.000 1.411 257 G CA 0.193 45.289 45.100 -0.008 0.000 0.898 257 G HN 1.364 9.654 8.290 -0.000 0.000 0.575 258 G N 1.010 109.803 108.800 -0.013 0.000 3.545 258 G HA2 -0.440 3.518 3.960 -0.003 0.000 0.372 258 G HA3 -0.440 3.518 3.960 -0.003 0.000 0.372 258 G C 0.981 175.873 174.900 -0.012 0.000 2.079 258 G CA 2.662 47.754 45.100 -0.014 0.000 2.328 258 G HN 1.926 10.216 8.290 -0.000 0.000 0.909 259 K N -0.531 119.874 120.400 0.007 0.000 3.470 259 K HA -0.199 4.119 4.320 -0.003 0.000 0.305 259 K C 1.671 178.300 176.600 0.048 0.000 1.363 259 K CA 1.219 57.518 56.287 0.021 0.000 0.927 259 K CB -1.197 31.308 32.500 0.008 0.000 1.355 259 K HN 0.787 9.037 8.250 -0.000 0.000 0.466 260 E N 1.120 121.352 120.200 0.054 0.000 2.136 260 E HA -0.287 4.062 4.350 -0.003 0.000 0.202 260 E C 1.089 177.784 176.600 0.158 0.000 1.019 260 E CA 2.556 59.012 56.400 0.094 0.000 0.819 260 E CB -0.585 29.158 29.700 0.071 0.000 0.739 260 E HN 0.740 9.100 8.360 -0.000 0.000 0.458 261 D N 1.296 121.773 120.400 0.128 0.000 2.116 261 D HA -0.208 4.430 4.640 -0.003 0.000 0.193 261 D C 2.212 178.599 176.300 0.144 0.000 0.998 261 D CA 1.451 55.540 54.000 0.149 0.000 0.836 261 D CB -0.417 40.440 40.800 0.096 0.000 0.951 261 D HN 0.250 8.620 8.370 -0.000 0.000 0.449 262 L N -0.130 121.152 121.223 0.098 0.000 2.068 262 L HA 0.108 4.446 4.340 -0.003 0.000 0.204 262 L C 2.181 179.099 176.870 0.080 0.000 1.076 262 L CA 1.093 55.974 54.840 0.068 0.000 0.753 262 L CB -0.384 41.704 42.059 0.048 0.000 0.910 262 L HN 0.119 8.349 8.230 -0.000 0.000 0.439 263 I N -0.817 119.823 120.570 0.116 0.000 2.068 263 I HA -0.407 3.761 4.170 -0.003 0.000 0.238 263 I C 2.422 178.637 176.117 0.164 0.000 1.046 263 I CA 2.383 63.780 61.300 0.161 0.000 1.306 263 I CB -0.651 37.431 38.000 0.137 0.000 1.023 263 I HN 0.620 8.830 8.210 -0.000 0.000 0.399 264 W N 2.152 123.485 121.300 0.055 0.000 2.308 264 W HA -0.304 4.355 4.660 -0.001 0.000 0.301 264 W C 2.300 178.862 176.519 0.072 0.000 1.220 264 W CA 2.097 59.473 57.345 0.051 0.000 1.240 264 W CB -0.183 29.312 29.460 0.058 0.000 1.142 264 W HN 0.317 8.497 8.180 -0.000 0.000 0.521 265 E N 0.628 120.660 120.200 -0.279 0.000 2.017 265 E HA -0.300 4.048 4.350 -0.003 0.000 0.193 265 E C 2.358 178.813 176.600 -0.241 0.000 0.997 265 E CA 1.724 57.935 56.400 -0.316 0.000 0.804 265 E CB -0.643 29.000 29.700 -0.095 0.000 0.757 265 E HN 0.225 8.585 8.360 -0.000 0.000 0.448 266 L N 1.135 122.302 121.223 -0.093 0.000 2.081 266 L HA -0.202 4.137 4.340 -0.003 0.000 0.212 266 L C 2.079 178.941 176.870 -0.013 0.000 1.080 266 L CA 1.609 56.439 54.840 -0.017 0.000 0.754 266 L CB -0.450 41.656 42.059 0.078 0.000 0.893 266 L HN 0.229 8.459 8.230 -0.000 0.000 0.433 267 L N -0.535 120.621 121.223 -0.112 0.000 1.973 267 L HA -0.198 4.140 4.340 -0.003 0.000 0.208 267 L C 2.480 179.295 176.870 -0.090 0.000 1.073 267 L CA 1.642 56.370 54.840 -0.186 0.000 0.746 267 L CB -1.030 40.748 42.059 -0.468 0.000 0.891 267 L HN 0.376 8.606 8.230 -0.000 0.000 0.433 268 N N -0.310 118.132 118.700 -0.430 0.000 2.137 268 N HA -0.241 4.497 4.740 -0.003 0.000 0.190 268 N C 1.919 177.387 175.510 -0.069 0.000 1.017 268 N CA 1.428 54.279 53.050 -0.331 0.000 0.859 268 N CB -0.091 37.928 38.487 -0.780 0.000 1.002 268 N HN 0.223 8.603 8.380 -0.000 0.000 0.428 269 Q N -0.074 119.689 119.800 -0.061 0.000 2.084 269 Q HA 0.023 4.362 4.340 -0.003 0.000 0.202 269 Q C 1.897 178.063 176.000 0.277 0.000 0.978 269 Q CA 1.421 57.289 55.803 0.107 0.000 0.844 269 Q CB -0.508 28.264 28.738 0.057 0.000 0.898 269 Q HN 0.509 8.779 8.270 -0.000 0.000 0.426 270 A N 1.313 124.281 122.820 0.248 0.000 1.933 270 A HA -0.241 4.078 4.320 -0.003 0.000 0.218 270 A C 2.028 179.835 177.584 0.371 0.000 1.175 270 A CA 1.765 54.060 52.037 0.430 0.000 0.628 270 A CB -0.519 18.683 19.000 0.338 0.000 0.814 270 A HN 0.583 8.733 8.150 -0.000 0.000 0.444 271 Q N -0.411 119.524 119.800 0.225 0.000 2.083 271 Q HA -0.158 4.180 4.340 -0.003 0.000 0.198 271 Q C 1.643 177.701 176.000 0.096 0.000 0.969 271 Q CA 1.439 57.319 55.803 0.128 0.000 0.838 271 Q CB -0.510 28.332 28.738 0.173 0.000 0.900 271 Q HN 0.711 8.981 8.270 -0.000 0.000 0.436 272 E N 0.459 120.723 120.200 0.106 0.000 2.058 272 E HA -0.223 4.125 4.350 -0.003 0.000 0.194 272 E C 1.821 178.354 176.600 -0.112 0.000 0.997 272 E CA 1.779 58.181 56.400 0.004 0.000 0.801 272 E CB -0.086 29.611 29.700 -0.004 0.000 0.746 272 E HN 0.555 8.915 8.360 -0.000 0.000 0.450 273 H N -1.198 117.784 119.070 -0.147 0.000 2.306 273 H HA 0.027 4.581 4.556 -0.003 0.000 0.307 273 H C 1.008 175.939 175.328 -0.660 0.000 1.061 273 H CA 1.230 56.973 56.048 -0.509 0.000 1.359 273 H CB 0.064 29.303 29.762 -0.872 0.000 1.407 273 H HN 0.090 8.370 8.280 -0.000 0.000 0.517 274 F N 0.390 120.429 119.950 0.148 0.000 2.639 274 F HA 0.317 4.841 4.527 -0.004 0.000 0.300 274 F C 1.585 177.310 175.800 -0.124 0.000 1.109 274 F CA -0.068 57.974 58.000 0.069 0.000 1.335 274 F CB -0.158 38.972 39.000 0.218 0.000 1.014 274 F HN 0.103 8.403 8.300 -0.000 0.000 0.537 275 G N 0.072 108.859 108.800 -0.022 0.000 2.447 275 G HA2 0.042 4.001 3.960 -0.003 0.000 0.269 275 G HA3 0.042 4.001 3.960 -0.003 0.000 0.269 275 G C 0.106 174.933 174.900 -0.121 0.000 1.455 275 G CA -0.618 44.400 45.100 -0.138 0.000 1.061 275 G HN -0.110 8.180 8.290 -0.000 0.000 0.545 276 K N 1.837 122.213 120.400 -0.041 0.000 2.250 276 K HA 0.058 4.376 4.320 -0.003 0.000 0.277 276 K C -0.365 176.194 176.600 -0.069 0.000 1.091 276 K CA 0.410 56.671 56.287 -0.043 0.000 1.046 276 K CB -0.282 32.160 32.500 -0.097 0.000 0.982 276 K HN 0.501 8.751 8.250 -0.000 0.000 0.429 277 D N 2.315 122.675 120.400 -0.066 0.000 2.716 277 D HA -0.165 4.473 4.640 -0.003 0.000 0.239 277 D C 0.483 176.745 176.300 -0.063 0.000 1.125 277 D CA 0.563 54.526 54.000 -0.061 0.000 0.681 277 D CB -0.277 40.488 40.800 -0.059 0.000 1.070 277 D HN 0.449 8.819 8.370 -0.000 0.000 0.432 278 K N -0.695 119.662 120.400 -0.073 0.000 2.354 278 K HA 0.156 4.474 4.320 -0.003 0.000 0.194 278 K C 0.746 177.286 176.600 -0.100 0.000 1.038 278 K CA 0.276 56.505 56.287 -0.095 0.000 1.052 278 K CB 1.080 33.507 32.500 -0.122 0.000 0.861 278 K HN 0.293 8.543 8.250 -0.000 0.000 0.535 279 S N -0.863 114.797 115.700 -0.067 0.000 2.636 279 S HA 0.336 4.805 4.470 -0.003 0.000 0.266 279 S C -0.745 173.848 174.600 -0.011 0.000 1.147 279 S CA -0.568 57.609 58.200 -0.039 0.000 0.815 279 S CB 1.043 64.219 63.200 -0.040 0.000 1.119 279 S HN 0.016 8.326 8.310 -0.000 0.000 0.470 280 K N 0.445 120.851 120.400 0.011 0.000 2.412 280 K HA 0.311 4.629 4.320 -0.003 0.000 0.202 280 K C 0.756 177.384 176.600 0.048 0.000 1.102 280 K CA 0.016 56.311 56.287 0.013 0.000 1.027 280 K CB 0.296 32.802 32.500 0.010 0.000 0.931 280 K HN 0.542 8.792 8.250 -0.000 0.000 0.557 281 E N 0.365 120.621 120.200 0.093 0.000 2.502 281 E HA 0.061 4.409 4.350 -0.003 0.000 0.194 281 E C -0.819 175.915 176.600 0.223 0.000 1.062 281 E CA 0.228 56.730 56.400 0.171 0.000 0.867 281 E CB 0.158 29.982 29.700 0.208 0.000 0.888 281 E HN 0.055 8.415 8.360 -0.000 0.000 0.510 282 F N -0.424 119.477 119.950 -0.081 0.000 2.843 282 F HA 0.192 4.718 4.527 -0.001 0.000 0.323 282 F C -2.115 173.640 175.800 -0.076 0.000 1.142 282 F CA -0.845 57.024 58.000 -0.219 0.000 0.925 282 F CB 1.105 39.592 39.000 -0.855 0.000 1.277 282 F HN -0.373 7.927 8.300 -0.000 0.000 0.446 283 Q N 3.991 123.197 119.800 -0.990 0.000 2.275 283 Q HA 0.429 4.768 4.340 -0.003 0.000 0.258 283 Q C -0.024 175.468 176.000 -0.846 0.000 0.960 283 Q CA -0.470 54.983 55.803 -0.585 0.000 0.801 283 Q CB 2.208 30.742 28.738 -0.340 0.000 1.302 283 Q HN 0.812 9.082 8.270 -0.000 0.000 0.433 284 L N 1.589 122.470 121.223 -0.570 0.000 2.127 284 L HA -0.057 4.281 4.340 -0.003 0.000 0.211 284 L C 0.100 176.593 176.870 -0.628 0.000 1.089 284 L CA 1.404 55.854 54.840 -0.650 0.000 0.757 284 L CB 0.113 41.553 42.059 -1.031 0.000 0.899 284 L HN 0.669 8.899 8.230 -0.000 0.000 0.434 285 F N -0.751 119.130 119.950 -0.114 0.000 2.908 285 F HA 0.261 4.787 4.527 -0.002 0.000 0.328 285 F C 0.348 176.100 175.800 -0.080 0.000 1.211 285 F CA -0.792 57.171 58.000 -0.062 0.000 1.291 285 F CB -0.097 38.854 39.000 -0.083 0.000 0.962 285 F HN -0.092 8.208 8.300 -0.000 0.000 0.505 286 S N -1.298 114.379 115.700 -0.039 0.000 2.578 286 S HA 0.667 5.135 4.470 -0.003 0.000 0.285 286 S C -1.055 173.466 174.600 -0.131 0.000 1.126 286 S CA -0.646 57.519 58.200 -0.059 0.000 0.878 286 S CB 1.738 64.904 63.200 -0.057 0.000 1.091 286 S HN -0.015 8.295 8.310 -0.000 0.000 0.450 287 S N 2.068 117.735 115.700 -0.055 0.000 2.546 287 S HA 0.706 5.174 4.470 -0.003 0.000 0.272 287 S C -2.236 172.345 174.600 -0.032 0.000 1.140 287 S CA -1.390 56.811 58.200 0.002 0.000 0.920 287 S CB 1.840 65.109 63.200 0.115 0.000 1.083 287 S HN 0.675 8.985 8.310 -0.000 0.000 0.476 288 P HA -0.021 4.399 4.420 -0.000 0.000 0.230 288 P C 0.338 177.445 177.300 -0.323 0.000 1.158 288 P CA 0.944 63.895 63.100 -0.248 0.000 0.769 288 P CB -0.147 31.358 31.700 -0.325 0.000 0.807 289 H N -0.392 118.613 119.070 -0.108 0.000 2.547 289 H HA 0.385 4.939 4.556 -0.003 0.000 0.272 289 H C 1.193 176.293 175.328 -0.381 0.000 0.989 289 H CA 0.907 56.828 56.048 -0.212 0.000 1.214 289 H CB -0.060 29.638 29.762 -0.106 0.000 1.389 289 H HN 0.238 8.518 8.280 -0.000 0.000 0.577 290 G N -0.366 108.375 108.800 -0.099 0.000 2.322 290 G HA2 0.115 4.073 3.960 -0.003 0.000 0.289 290 G HA3 0.115 4.073 3.960 -0.003 0.000 0.289 290 G C -1.539 173.363 174.900 0.004 0.000 1.687 290 G CA -1.286 43.767 45.100 -0.078 0.000 0.944 290 G HN 0.013 8.303 8.290 -0.000 0.000 0.718 291 K N 1.133 121.541 120.400 0.012 0.000 2.382 291 K HA 0.462 4.780 4.320 -0.003 0.000 0.275 291 K C 0.643 177.268 176.600 0.041 0.000 1.009 291 K CA 0.730 57.030 56.287 0.023 0.000 0.970 291 K CB 0.350 32.859 32.500 0.015 0.000 0.934 291 K HN 0.554 8.804 8.250 -0.000 0.000 0.479 292 D N 1.356 121.785 120.400 0.048 0.000 3.012 292 D HA -0.218 4.420 4.640 -0.003 0.000 0.222 292 D C -0.736 175.608 176.300 0.073 0.000 1.167 292 D CA 0.737 54.774 54.000 0.061 0.000 0.854 292 D CB -1.344 39.473 40.800 0.028 0.000 1.107 292 D HN 0.364 8.734 8.370 -0.000 0.000 0.421 293 L N 0.474 121.735 121.223 0.063 0.000 2.418 293 L HA 0.237 4.576 4.340 -0.003 0.000 0.274 293 L C 2.073 178.912 176.870 -0.051 0.000 1.135 293 L CA -0.220 54.644 54.840 0.040 0.000 0.870 293 L CB 0.418 42.508 42.059 0.051 0.000 1.154 293 L HN 0.146 8.376 8.230 -0.000 0.000 0.462 294 L N 1.404 122.565 121.223 -0.105 0.000 3.566 294 L HA -0.329 4.010 4.340 -0.003 0.000 0.071 294 L C -0.384 176.225 176.870 -0.435 0.000 4.379 294 L CA 1.297 55.870 54.840 -0.444 0.000 0.580 294 L CB -1.085 40.412 42.059 -0.938 0.000 3.524 294 L HN 0.407 8.637 8.230 -0.000 0.000 0.876 295 F N 0.408 120.488 119.950 0.217 0.000 2.551 295 F HA 0.511 5.036 4.527 -0.003 0.000 0.316 295 F C 0.379 176.311 175.800 0.220 0.000 1.089 295 F CA -1.024 57.166 58.000 0.316 0.000 0.915 295 F CB 1.163 40.428 39.000 0.442 0.000 1.186 295 F HN -0.143 8.157 8.300 -0.000 0.000 0.456 296 K N 1.629 122.215 120.400 0.310 0.000 2.436 296 K HA 0.016 4.334 4.320 -0.003 0.000 0.275 296 K C -0.044 176.606 176.600 0.084 0.000 0.999 296 K CA -0.026 56.340 56.287 0.132 0.000 0.980 296 K CB 0.580 33.137 32.500 0.095 0.000 0.919 296 K HN 0.563 8.813 8.250 -0.000 0.000 0.484 297 D N 0.716 121.170 120.400 0.090 0.000 2.371 297 D HA -0.092 4.547 4.640 -0.003 0.000 0.221 297 D C 1.394 177.727 176.300 0.055 0.000 0.986 297 D CA 0.893 54.951 54.000 0.098 0.000 0.899 297 D CB 0.063 40.909 40.800 0.077 0.000 0.902 297 D HN 0.481 8.851 8.370 -0.000 0.000 0.530 298 S N -0.346 115.388 115.700 0.057 0.000 2.501 298 S HA 0.241 4.709 4.470 -0.003 0.000 0.220 298 S C 1.243 175.885 174.600 0.070 0.000 0.997 298 S CA -0.236 58.027 58.200 0.106 0.000 0.919 298 S CB 0.057 63.308 63.200 0.084 0.000 0.778 298 S HN 0.206 8.516 8.310 -0.000 0.000 0.523 299 A N 1.655 124.299 122.820 -0.292 0.000 2.511 299 A HA 0.338 4.656 4.320 -0.003 0.000 0.242 299 A C 0.701 177.697 177.584 -0.981 0.000 1.069 299 A CA -0.027 51.317 52.037 -1.154 0.000 0.763 299 A CB -0.061 18.015 19.000 -1.539 0.000 1.001 299 A HN 0.466 8.616 8.150 -0.000 0.000 0.498 300 H N 0.848 119.161 119.070 -1.261 0.000 2.639 300 H HA 0.369 4.923 4.556 -0.003 0.000 0.267 300 H C 1.241 175.981 175.328 -0.981 0.000 0.958 300 H CA 0.597 56.072 56.048 -0.955 0.000 1.221 300 H CB 0.641 29.879 29.762 -0.873 0.000 1.446 300 H HN 1.012 9.292 8.280 -0.000 0.000 0.512 301 G N -1.162 106.809 108.800 -1.382 0.000 2.392 301 G HA2 0.297 4.256 3.960 -0.003 0.000 0.260 301 G HA3 0.297 4.256 3.960 -0.003 0.000 0.260 301 G C -1.748 172.727 174.900 -0.708 0.000 1.226 301 G CA -0.830 43.846 45.100 -0.707 0.000 0.913 301 G HN -0.017 8.273 8.290 -0.000 0.000 0.483 302 F N 0.052 120.319 119.950 0.527 0.000 2.563 302 F HA 0.783 5.308 4.527 -0.003 0.000 0.316 302 F C -0.044 176.080 175.800 0.541 0.000 1.076 302 F CA -1.001 57.320 58.000 0.536 0.000 0.921 302 F CB 2.307 41.632 39.000 0.542 0.000 1.209 302 F HN 0.180 8.480 8.300 -0.000 0.000 0.462 303 L N 2.673 124.190 121.223 0.489 0.000 2.372 303 L HA 0.367 4.705 4.340 -0.003 0.000 0.274 303 L C -0.176 176.610 176.870 -0.140 0.000 0.988 303 L CA -0.765 54.125 54.840 0.084 0.000 0.833 303 L CB 1.927 44.031 42.059 0.075 0.000 1.236 303 L HN 0.641 8.871 8.230 -0.000 0.000 0.410 304 K N 2.376 122.382 120.400 -0.657 0.000 2.451 304 K HA 0.226 4.544 4.320 -0.003 0.000 0.280 304 K C -0.126 176.323 176.600 -0.253 0.000 1.020 304 K CA -0.234 55.619 56.287 -0.723 0.000 1.008 304 K CB 1.037 32.818 32.500 -1.199 0.000 0.917 304 K HN 0.463 8.713 8.250 -0.000 0.000 0.478 305 V N 2.492 122.355 119.914 -0.087 0.000 2.863 305 V HA 0.445 4.563 4.120 -0.003 0.000 0.307 305 V C -2.360 173.757 176.094 0.039 0.000 1.061 305 V CA -2.228 60.118 62.300 0.078 0.000 1.024 305 V CB 0.834 32.826 31.823 0.281 0.000 1.049 305 V HN 0.732 8.922 8.190 -0.000 0.000 0.471 306 P HA 0.100 4.520 4.420 -0.000 0.000 0.257 306 P C -2.548 174.778 177.300 0.043 0.000 1.153 306 P CA 0.044 63.169 63.100 0.042 0.000 0.762 306 P CB -0.561 31.174 31.700 0.058 0.000 0.743 307 P HA -0.012 4.408 4.420 -0.000 0.000 0.262 307 P C -0.126 177.196 177.300 0.036 0.000 1.182 307 P CA 0.367 63.478 63.100 0.019 0.000 0.761 307 P CB 0.286 31.993 31.700 0.011 0.000 0.795 308 R N 1.362 121.888 120.500 0.042 0.000 2.884 308 R HA -0.202 4.136 4.340 -0.003 0.000 0.251 308 R C -0.120 176.220 176.300 0.066 0.000 0.870 308 R CA 0.582 56.713 56.100 0.051 0.000 0.647 308 R CB -1.261 29.064 30.300 0.042 0.000 1.415 308 R HN 0.527 8.797 8.270 -0.000 0.000 0.513 309 M N 2.096 121.750 119.600 0.090 0.000 2.204 309 M HA 0.235 4.714 4.480 -0.003 0.000 0.293 309 M C -0.988 175.397 176.300 0.141 0.000 0.994 309 M CA -0.817 54.554 55.300 0.118 0.000 0.925 309 M CB 1.386 34.076 32.600 0.149 0.000 1.577 309 M HN 0.225 8.515 8.290 -0.000 0.000 0.439 310 D N 3.860 124.338 120.400 0.128 0.000 2.294 310 D HA 0.540 5.178 4.640 -0.003 0.000 0.250 310 D C 1.150 177.505 176.300 0.092 0.000 1.058 310 D CA -0.282 53.795 54.000 0.128 0.000 0.950 310 D CB 1.151 42.054 40.800 0.172 0.000 1.158 310 D HN 0.660 9.030 8.370 -0.000 0.000 0.453 311 A N 1.555 124.382 122.820 0.011 0.000 1.954 311 A HA -0.368 3.950 4.320 -0.003 0.000 0.222 311 A C 1.863 179.401 177.584 -0.077 0.000 1.199 311 A CA 2.014 54.012 52.037 -0.065 0.000 0.657 311 A CB -0.841 18.036 19.000 -0.205 0.000 0.823 311 A HN 0.667 8.817 8.150 -0.000 0.000 0.463 312 K N -0.665 119.589 120.400 -0.244 0.000 2.009 312 K HA -0.200 4.118 4.320 -0.003 0.000 0.210 312 K C 2.206 178.835 176.600 0.048 0.000 1.049 312 K CA 1.795 58.035 56.287 -0.078 0.000 0.929 312 K CB -0.501 31.970 32.500 -0.048 0.000 0.714 312 K HN 0.768 9.018 8.250 -0.000 0.000 0.440 313 M N -0.528 119.113 119.600 0.068 0.000 2.175 313 M HA -0.129 4.349 4.480 -0.003 0.000 0.264 313 M C 2.156 178.505 176.300 0.081 0.000 1.063 313 M CA 1.638 56.983 55.300 0.074 0.000 1.119 313 M CB -1.111 31.530 32.600 0.068 0.000 1.377 313 M HN 0.037 8.327 8.290 -0.000 0.000 0.415 314 Y N 1.909 122.234 120.300 0.042 0.000 2.145 314 Y HA -0.182 4.367 4.550 -0.003 0.000 0.286 314 Y C 2.222 178.201 175.900 0.132 0.000 1.145 314 Y CA 1.653 59.812 58.100 0.098 0.000 1.148 314 Y CB -0.178 38.329 38.460 0.077 0.000 0.981 314 Y HN 0.048 8.328 8.280 -0.000 0.000 0.507 315 L N -0.727 120.646 121.223 0.251 0.000 2.007 315 L HA 0.215 4.554 4.340 -0.003 0.000 0.205 315 L C 1.130 178.038 176.870 0.064 0.000 1.073 315 L CA 1.826 56.734 54.840 0.113 0.000 0.744 315 L CB -1.425 40.681 42.059 0.079 0.000 0.898 315 L HN 0.359 8.589 8.230 -0.000 0.000 0.435 316 G N -3.467 105.385 108.800 0.086 0.000 2.453 316 G HA2 -0.138 3.821 3.960 -0.003 0.000 0.665 316 G HA3 -0.138 3.821 3.960 -0.003 0.000 0.665 316 G C -0.063 174.896 174.900 0.099 0.000 1.411 316 G CA -0.096 45.059 45.100 0.092 0.000 0.889 316 G HN 0.212 8.502 8.290 -0.000 0.000 0.651 317 Y N 1.326 121.655 120.300 0.048 0.000 2.040 317 Y HA -0.275 4.274 4.550 -0.003 0.000 0.275 317 Y C 2.419 178.342 175.900 0.038 0.000 1.171 317 Y CA 3.186 61.307 58.100 0.035 0.000 1.123 317 Y CB -0.481 37.991 38.460 0.021 0.000 0.963 317 Y HN 0.786 9.066 8.280 -0.000 0.000 0.493 318 E N -0.159 119.639 120.200 -0.669 0.000 2.055 318 E HA -0.329 4.019 4.350 -0.003 0.000 0.209 318 E C 2.095 178.497 176.600 -0.329 0.000 1.036 318 E CA 2.202 58.237 56.400 -0.608 0.000 0.849 318 E CB -1.281 28.326 29.700 -0.155 0.000 0.767 318 E HN 0.716 9.076 8.360 -0.000 0.000 0.461 319 Y N 0.974 121.134 120.300 -0.233 0.000 2.151 319 Y HA -0.267 4.281 4.550 -0.003 0.000 0.284 319 Y C 2.252 177.990 175.900 -0.269 0.000 1.166 319 Y CA 1.480 59.469 58.100 -0.185 0.000 1.163 319 Y CB -0.219 38.182 38.460 -0.098 0.000 0.974 319 Y HN -0.088 8.192 8.280 -0.000 0.000 0.511 320 V N -0.680 119.154 119.914 -0.133 0.000 2.358 320 V HA -0.319 3.799 4.120 -0.003 0.000 0.246 320 V C 2.245 178.138 176.094 -0.336 0.000 1.047 320 V CA 2.360 64.482 62.300 -0.298 0.000 1.035 320 V CB -1.002 30.750 31.823 -0.119 0.000 0.658 320 V HN 0.485 8.675 8.190 -0.000 0.000 0.452 321 T N 0.455 114.825 114.554 -0.307 0.000 2.635 321 T HA -0.241 4.107 4.350 -0.003 0.000 0.267 321 T C 2.042 176.578 174.700 -0.274 0.000 1.040 321 T CA 1.888 63.828 62.100 -0.267 0.000 1.156 321 T CB -0.512 68.122 68.868 -0.389 0.000 0.863 321 T HN 0.586 8.826 8.240 -0.000 0.000 0.430 322 A N 1.158 123.774 122.820 -0.341 0.000 1.841 322 A HA -0.058 4.260 4.320 -0.003 0.000 0.216 322 A C 2.338 179.681 177.584 -0.401 0.000 1.199 322 A CA 1.584 53.410 52.037 -0.351 0.000 0.621 322 A CB -1.088 17.678 19.000 -0.389 0.000 0.835 322 A HN 0.503 8.653 8.150 -0.000 0.000 0.445 323 I N -1.115 119.132 120.570 -0.539 0.000 2.248 323 I HA -0.297 3.872 4.170 -0.003 0.000 0.248 323 I C 2.819 178.732 176.117 -0.340 0.000 1.107 323 I CA 1.372 62.374 61.300 -0.497 0.000 1.373 323 I CB -0.176 37.417 38.000 -0.680 0.000 1.055 323 I HN 0.349 8.559 8.210 -0.000 0.000 0.418 324 R N 0.424 120.729 120.500 -0.324 0.000 2.070 324 R HA -0.190 4.148 4.340 -0.003 0.000 0.232 324 R C 2.033 178.227 176.300 -0.177 0.000 1.138 324 R CA 2.301 58.297 56.100 -0.173 0.000 0.936 324 R CB -0.576 29.654 30.300 -0.117 0.000 0.839 324 R HN 0.495 8.765 8.270 -0.000 0.000 0.429 325 N N 0.415 118.984 118.700 -0.218 0.000 2.018 325 N HA -0.199 4.540 4.740 -0.003 0.000 0.196 325 N C 1.956 177.149 175.510 -0.528 0.000 1.043 325 N CA 1.433 54.309 53.050 -0.290 0.000 0.856 325 N CB -0.240 38.116 38.487 -0.218 0.000 1.042 325 N HN 0.103 8.483 8.380 -0.000 0.000 0.423 326 L N 0.637 121.559 121.223 -0.501 0.000 2.051 326 L HA -0.256 4.083 4.340 -0.003 0.000 0.214 326 L C 2.451 179.129 176.870 -0.320 0.000 1.076 326 L CA 1.467 56.020 54.840 -0.478 0.000 0.758 326 L CB -0.393 41.478 42.059 -0.313 0.000 0.890 326 L HN 0.266 8.496 8.230 -0.000 0.000 0.433 327 R N -0.106 120.268 120.500 -0.209 0.000 2.046 327 R HA -0.073 4.265 4.340 -0.003 0.000 0.223 327 R C 2.126 178.377 176.300 -0.082 0.000 1.179 327 R CA 1.179 57.219 56.100 -0.099 0.000 0.952 327 R CB -0.308 29.981 30.300 -0.019 0.000 0.843 327 R HN 0.358 8.628 8.270 -0.000 0.000 0.439 328 E N 0.075 120.236 120.200 -0.065 0.000 2.338 328 E HA -0.026 4.323 4.350 -0.003 0.000 0.197 328 E C 0.910 177.485 176.600 -0.042 0.000 1.007 328 E CA 0.513 56.895 56.400 -0.029 0.000 0.849 328 E CB -0.010 29.689 29.700 -0.002 0.000 0.774 328 E HN 0.588 8.948 8.360 -0.000 0.000 0.506 329 G N 2.442 111.166 108.800 -0.126 0.000 2.337 329 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.290 329 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.290 329 G C 0.271 175.241 174.900 0.117 0.000 1.003 329 G CA 1.040 46.085 45.100 -0.091 0.000 0.825 329 G HN 0.363 8.653 8.290 -0.000 0.000 0.509 330 T N -2.521 112.077 114.554 0.073 0.000 2.842 330 T HA 0.484 4.832 4.350 -0.003 0.000 0.308 330 T C 0.232 174.984 174.700 0.087 0.000 1.041 330 T CA -0.567 61.586 62.100 0.088 0.000 0.964 330 T CB 1.168 70.068 68.868 0.053 0.000 0.972 330 T HN 0.422 8.662 8.240 -0.000 0.000 0.460 331 c N 7.426 126.085 118.600 0.098 0.000 2.520 331 c HA 0.358 4.926 4.570 -0.003 0.000 0.369 331 c C -0.547 173.570 174.090 0.045 0.000 1.244 331 c CA -1.192 55.179 56.329 0.069 0.000 1.677 331 c CB -1.077 41.457 42.510 0.040 0.000 2.324 331 c HN 0.752 8.982 8.230 -0.000 0.000 0.557 332 P HA 0.171 4.591 4.420 -0.000 0.000 0.271 332 P C -0.237 177.079 177.300 0.027 0.000 1.238 332 P CA 0.127 63.247 63.100 0.034 0.000 0.794 332 P CB 0.622 32.343 31.700 0.036 0.000 0.959 333 E N 0.054 120.267 120.200 0.023 0.000 2.312 333 E HA 0.632 4.980 4.350 -0.003 0.000 0.259 333 E C -0.613 175.997 176.600 0.017 0.000 1.122 333 E CA -1.153 55.258 56.400 0.017 0.000 0.922 333 E CB 0.255 29.964 29.700 0.015 0.000 1.109 333 E HN 0.622 8.982 8.360 -0.000 0.000 0.442 334 A N 0.936 123.764 122.820 0.014 0.000 2.572 334 A HA 0.637 4.955 4.320 -0.003 0.000 0.295 334 A C -1.937 175.653 177.584 0.010 0.000 1.072 334 A CA -1.107 50.937 52.037 0.013 0.000 0.691 334 A CB 0.285 19.294 19.000 0.015 0.000 1.291 334 A HN 0.552 8.702 8.150 -0.000 0.000 0.404 335 P HA -0.313 4.107 4.420 -0.000 0.000 0.232 335 P C 1.015 178.319 177.300 0.006 0.000 0.720 335 P CA 2.578 65.683 63.100 0.008 0.000 1.130 335 P CB -1.099 30.605 31.700 0.007 0.000 0.631 336 T N 0.000 114.557 114.554 0.005 0.000 3.816 336 T HA 0.000 4.348 4.350 -0.003 0.000 0.228 336 T CA 0.000 62.103 62.100 0.004 0.000 1.349 336 T CB 0.000 68.870 68.868 0.003 0.000 0.612 336 T HN 0.000 8.240 8.240 -0.000 0.000 0.658