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 1q51_1_I DATA FIRST_RESID 18 DATA SEQUENCE NPFDAKAWRL VDGFDDLTDI TYHRHVDDAT VRVAFNRPEV RNAFRPHTVD DATA SEQUENCE ELYRVLDHAR MSPDVGVVLL TGNGPSPKDG GWAFCSGGDQ XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXLHIL EVQRLIRFMP KVVICLVNGW AAGGGHSLHV DATA SEQUENCE VCDLTLASRE YARFKQTDAD VGSFDGGYGS AYLARQVGQK FAREIFFLGR DATA SEQUENCE TYTAEQMHQM GAVNAVAEHA ELETVGLQWA AEINAKSPQA QRMLKFAFNL DATA SEQUENCE LDDGLVGQQL FAGEATRLAY MTDEAVEGRD AFLQKRPPDW SPFPRYF 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 18 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 18 N C 0.000 175.562 175.510 0.086 0.000 1.280 18 N CA 0.000 53.209 53.050 0.265 0.000 0.885 18 N CB 0.000 38.711 38.487 0.373 0.000 1.341 19 P HA -0.024 4.396 4.420 -0.000 0.000 0.220 19 P C 0.577 177.924 177.300 0.077 0.000 1.148 19 P CA 0.502 63.533 63.100 -0.114 0.000 0.803 19 P CB 0.087 31.594 31.700 -0.322 0.000 0.782 20 F N 3.132 123.082 119.950 0.001 0.000 2.502 20 F HA 0.148 4.675 4.527 0.001 0.000 0.371 20 F C 0.367 176.220 175.800 0.090 0.000 1.083 20 F CA -1.024 56.995 58.000 0.031 0.000 1.174 20 F CB -0.129 38.868 39.000 -0.005 0.000 1.096 20 F HN -0.200 8.100 8.300 -0.000 0.000 0.545 21 D N 6.186 126.344 120.400 -0.405 0.000 2.467 21 D HA 0.233 4.873 4.640 0.001 0.000 0.220 21 D C 0.930 176.817 176.300 -0.689 0.000 1.103 21 D CA 0.116 53.874 54.000 -0.403 0.000 0.886 21 D CB 1.418 42.136 40.800 -0.135 0.000 1.025 21 D HN 0.723 9.093 8.370 -0.000 0.000 0.514 22 A N 5.213 127.501 122.820 -0.887 0.000 1.958 22 A HA -0.242 4.079 4.320 0.001 0.000 0.221 22 A C 2.002 179.470 177.584 -0.193 0.000 1.178 22 A CA 1.304 53.017 52.037 -0.541 0.000 0.642 22 A CB -0.310 18.621 19.000 -0.115 0.000 0.816 22 A HN 0.635 8.785 8.150 -0.000 0.000 0.453 23 K N -0.599 119.692 120.400 -0.183 0.000 2.280 23 K HA -0.050 4.270 4.320 0.001 0.000 0.202 23 K C 1.925 178.383 176.600 -0.237 0.000 1.047 23 K CA 1.030 57.227 56.287 -0.149 0.000 0.942 23 K CB -0.255 32.169 32.500 -0.126 0.000 0.739 23 K HN 0.496 8.746 8.250 -0.000 0.000 0.457 24 A N 0.038 122.645 122.820 -0.355 0.000 2.178 24 A HA 0.016 4.336 4.320 0.001 0.000 0.211 24 A C -0.116 176.866 177.584 -1.004 0.000 1.157 24 A CA 0.040 51.638 52.037 -0.731 0.000 0.780 24 A CB -0.052 18.519 19.000 -0.715 0.000 0.828 24 A HN 0.242 8.392 8.150 -0.000 0.000 0.476 25 W N -0.507 120.666 121.300 -0.211 0.000 2.819 25 W HA 0.671 5.332 4.660 0.001 0.000 0.337 25 W C -0.001 176.563 176.519 0.074 0.000 1.077 25 W CA -0.755 56.562 57.345 -0.047 0.000 1.226 25 W CB 1.192 30.631 29.460 -0.035 0.000 1.419 25 W HN -0.157 8.023 8.180 -0.000 0.000 0.502 26 R N 2.131 122.864 120.500 0.389 0.000 2.740 26 R HA 0.532 4.872 4.340 0.001 0.000 0.282 26 R C -0.667 175.782 176.300 0.248 0.000 0.969 26 R CA -1.335 54.927 56.100 0.269 0.000 0.918 26 R CB 1.937 32.305 30.300 0.113 0.000 1.175 26 R HN 0.513 8.783 8.270 -0.000 0.000 0.464 27 L N 1.439 122.727 121.223 0.109 0.000 2.483 27 L HA 0.114 4.454 4.340 0.001 0.000 0.276 27 L C 0.196 177.000 176.870 -0.110 0.000 1.213 27 L CA -0.183 54.590 54.840 -0.112 0.000 0.843 27 L CB 0.472 42.476 42.059 -0.092 0.000 1.107 27 L HN 0.166 8.396 8.230 -0.000 0.000 0.487 28 V N 1.890 121.659 119.914 -0.242 0.000 2.465 28 V HA 0.089 4.209 4.120 0.001 0.000 0.279 28 V C -0.061 176.015 176.094 -0.030 0.000 1.045 28 V CA -0.825 61.346 62.300 -0.216 0.000 0.938 28 V CB 1.207 32.653 31.823 -0.630 0.000 0.986 28 V HN 0.603 8.793 8.190 -0.000 0.000 0.467 29 D N 3.768 124.163 120.400 -0.008 0.000 2.458 29 D HA 0.346 4.987 4.640 0.001 0.000 0.243 29 D C 1.132 177.386 176.300 -0.076 0.000 1.146 29 D CA 1.572 55.562 54.000 -0.016 0.000 0.877 29 D CB 1.272 42.067 40.800 -0.009 0.000 1.176 29 D HN 0.996 9.366 8.370 -0.000 0.000 0.461 30 G N 1.581 110.294 108.800 -0.146 0.000 2.163 30 G HA2 -0.262 3.698 3.960 0.001 0.000 0.213 30 G HA3 -0.262 3.698 3.960 0.001 0.000 0.213 30 G C 0.352 174.891 174.900 -0.602 0.000 0.991 30 G CA -0.485 44.397 45.100 -0.362 0.000 0.653 30 G HN 0.442 8.732 8.290 -0.000 0.000 0.518 31 F N 1.300 121.203 119.950 -0.079 0.000 2.835 31 F HA 0.294 4.821 4.527 0.000 0.000 0.342 31 F C 1.305 177.078 175.800 -0.044 0.000 1.202 31 F CA -0.428 57.540 58.000 -0.053 0.000 1.240 31 F CB 0.617 39.593 39.000 -0.040 0.000 1.005 31 F HN 0.039 8.339 8.300 -0.000 0.000 0.507 32 D N 0.629 121.059 120.400 0.051 0.000 2.219 32 D HA -0.160 4.480 4.640 0.001 0.000 0.205 32 D C 1.522 177.848 176.300 0.044 0.000 0.970 32 D CA 1.418 55.438 54.000 0.034 0.000 0.851 32 D CB -0.044 40.758 40.800 0.003 0.000 0.943 32 D HN 0.462 8.832 8.370 -0.000 0.000 0.488 33 D N 0.708 121.138 120.400 0.051 0.000 2.363 33 D HA -0.079 4.561 4.640 0.001 0.000 0.226 33 D C 0.869 177.232 176.300 0.105 0.000 1.020 33 D CA -0.064 53.975 54.000 0.064 0.000 0.892 33 D CB -0.365 40.466 40.800 0.052 0.000 0.900 33 D HN 0.194 8.564 8.370 -0.000 0.000 0.531 34 L N 1.526 122.820 121.223 0.118 0.000 2.462 34 L HA 0.084 4.424 4.340 0.001 0.000 0.272 34 L C 1.718 178.642 176.870 0.091 0.000 1.166 34 L CA 0.183 55.089 54.840 0.110 0.000 0.880 34 L CB 0.997 43.104 42.059 0.081 0.000 1.142 34 L HN 0.066 8.296 8.230 -0.000 0.000 0.473 35 T N -3.028 111.610 114.554 0.139 0.000 3.038 35 T HA 0.054 4.404 4.350 0.001 0.000 0.244 35 T C 0.954 175.707 174.700 0.087 0.000 1.016 35 T CA -0.026 62.143 62.100 0.116 0.000 1.098 35 T CB 0.234 69.187 68.868 0.142 0.000 0.954 35 T HN 0.418 8.658 8.240 -0.000 0.000 0.469 36 D N 0.476 120.928 120.400 0.087 0.000 2.360 36 D HA 0.317 4.957 4.640 0.001 0.000 0.210 36 D C -0.077 176.217 176.300 -0.009 0.000 1.047 36 D CA 0.135 54.170 54.000 0.060 0.000 0.854 36 D CB 0.592 41.438 40.800 0.075 0.000 0.936 36 D HN 0.327 8.697 8.370 -0.000 0.000 0.514 37 I N 0.514 121.043 120.570 -0.068 0.000 2.722 37 I HA 0.178 4.348 4.170 0.001 0.000 0.295 37 I C 0.213 176.262 176.117 -0.113 0.000 1.161 37 I CA -0.727 60.481 61.300 -0.154 0.000 1.032 37 I CB 1.824 39.669 38.000 -0.258 0.000 1.244 37 I HN -0.239 7.971 8.210 -0.000 0.000 0.421 38 T N 1.831 116.316 114.554 -0.116 0.000 2.940 38 T HA 0.696 5.046 4.350 0.001 0.000 0.288 38 T C -1.246 173.421 174.700 -0.055 0.000 1.033 38 T CA -0.645 61.404 62.100 -0.086 0.000 1.033 38 T CB 2.413 71.264 68.868 -0.029 0.000 1.079 38 T HN 0.407 8.647 8.240 -0.000 0.000 0.496 39 Y N 1.592 121.700 120.300 -0.319 0.000 2.287 39 Y HA 0.463 5.013 4.550 0.001 0.000 0.325 39 Y C -1.646 174.035 175.900 -0.365 0.000 1.139 39 Y CA -1.507 56.400 58.100 -0.321 0.000 1.167 39 Y CB 0.594 38.767 38.460 -0.478 0.000 1.158 39 Y HN 0.974 9.254 8.280 -0.000 0.000 0.434 40 H N 2.916 121.977 119.070 -0.015 0.000 2.679 40 H HA 0.748 5.305 4.556 0.001 0.000 0.367 40 H C -0.797 174.651 175.328 0.200 0.000 1.162 40 H CA -1.006 55.072 56.048 0.049 0.000 1.181 40 H CB 1.704 31.571 29.762 0.175 0.000 1.693 40 H HN 0.499 8.779 8.280 -0.000 0.000 0.538 41 R N 0.900 121.618 120.500 0.363 0.000 2.532 41 R HA 0.251 4.591 4.340 0.001 0.000 0.295 41 R C -0.835 175.737 176.300 0.453 0.000 0.968 41 R CA -0.604 55.721 56.100 0.375 0.000 0.916 41 R CB 0.555 30.942 30.300 0.146 0.000 1.124 41 R HN 0.754 9.024 8.270 -0.000 0.000 0.463 42 H N 3.322 122.498 119.070 0.177 0.000 2.690 42 H HA 0.049 4.605 4.556 0.001 0.000 0.365 42 H C 0.990 176.222 175.328 -0.160 0.000 1.142 42 H CA 0.750 56.619 56.048 -0.298 0.000 1.417 42 H CB 1.349 30.822 29.762 -0.482 0.000 1.446 42 H HN 0.544 8.824 8.280 -0.000 0.000 0.599 43 V N 1.265 120.751 119.914 -0.713 0.000 2.490 43 V HA -0.151 3.969 4.120 0.001 0.000 0.250 43 V C 0.873 176.883 176.094 -0.141 0.000 1.061 43 V CA 1.991 64.082 62.300 -0.348 0.000 1.064 43 V CB -0.098 31.495 31.823 -0.384 0.000 0.670 43 V HN 0.704 8.894 8.190 -0.000 0.000 0.461 44 D N -1.053 119.345 120.400 -0.003 0.000 2.602 44 D HA 0.119 4.759 4.640 0.001 0.000 0.284 44 D C 0.111 176.484 176.300 0.122 0.000 1.065 44 D CA 0.156 54.205 54.000 0.083 0.000 0.923 44 D CB 0.006 40.846 40.800 0.066 0.000 1.373 44 D HN 0.447 8.817 8.370 -0.000 0.000 0.492 45 D N 1.180 121.708 120.400 0.213 0.000 2.329 45 D HA 0.333 4.973 4.640 0.001 0.000 0.246 45 D C 0.302 176.626 176.300 0.041 0.000 1.111 45 D CA -0.258 53.743 54.000 0.002 0.000 0.941 45 D CB 1.190 41.837 40.800 -0.255 0.000 1.169 45 D HN -0.045 8.325 8.370 -0.000 0.000 0.441 46 A N 1.308 124.143 122.820 0.024 0.000 2.958 46 A HA 0.306 4.626 4.320 0.001 0.000 0.247 46 A C -0.005 177.625 177.584 0.077 0.000 1.679 46 A CA -0.006 52.063 52.037 0.053 0.000 1.345 46 A CB -0.702 18.319 19.000 0.035 0.000 1.013 46 A HN 0.349 8.499 8.150 -0.000 0.000 0.641 47 T N -0.003 114.622 114.554 0.117 0.000 2.893 47 T HA 0.553 4.904 4.350 0.001 0.000 0.293 47 T C -0.203 174.715 174.700 0.363 0.000 1.027 47 T CA -0.369 61.844 62.100 0.189 0.000 0.988 47 T CB 1.731 70.677 68.868 0.130 0.000 1.043 47 T HN 0.674 8.914 8.240 -0.000 0.000 0.461 48 V N 0.557 120.693 119.914 0.369 0.000 2.919 48 V HA 0.811 4.932 4.120 0.001 0.000 0.316 48 V C -0.375 175.910 176.094 0.319 0.000 1.077 48 V CA -1.313 61.254 62.300 0.445 0.000 0.977 48 V CB 1.924 34.001 31.823 0.423 0.000 1.039 48 V HN 0.895 9.085 8.190 -0.000 0.000 0.441 49 R N 1.686 122.260 120.500 0.124 0.000 2.439 49 R HA 0.760 5.101 4.340 0.001 0.000 0.310 49 R C -2.113 174.161 176.300 -0.043 0.000 0.955 49 R CA -0.415 55.560 56.100 -0.208 0.000 0.853 49 R CB 1.978 31.661 30.300 -1.028 0.000 1.171 49 R HN 0.742 9.012 8.270 -0.000 0.000 0.449 50 V N 3.317 123.185 119.914 -0.077 0.000 2.444 50 V HA 0.771 4.892 4.120 0.001 0.000 0.294 50 V C -0.619 175.379 176.094 -0.160 0.000 1.022 50 V CA -0.663 61.546 62.300 -0.151 0.000 0.850 50 V CB 1.487 33.156 31.823 -0.257 0.000 0.992 50 V HN 0.919 9.109 8.190 -0.000 0.000 0.426 51 A N 4.199 126.901 122.820 -0.197 0.000 2.488 51 A HA 0.842 5.163 4.320 0.001 0.000 0.298 51 A C -0.970 176.500 177.584 -0.189 0.000 1.044 51 A CA -0.535 51.423 52.037 -0.131 0.000 0.693 51 A CB 0.918 19.875 19.000 -0.072 0.000 1.272 51 A HN 0.570 8.720 8.150 -0.000 0.000 0.402 52 F N 1.425 121.331 119.950 -0.073 0.000 2.572 52 F HA 0.199 4.726 4.527 0.000 0.000 0.370 52 F C 1.278 177.035 175.800 -0.072 0.000 1.103 52 F CA 1.052 58.996 58.000 -0.093 0.000 1.286 52 F CB 0.754 39.662 39.000 -0.152 0.000 1.105 52 F HN 0.714 9.014 8.300 -0.000 0.000 0.583 53 N N 2.377 121.138 118.700 0.103 0.000 2.642 53 N HA 0.260 5.001 4.740 0.001 0.000 0.308 53 N C -0.919 174.614 175.510 0.038 0.000 1.914 53 N CA -0.326 52.745 53.050 0.035 0.000 0.893 53 N CB 0.183 38.664 38.487 -0.011 0.000 1.322 53 N HN 0.471 8.851 8.380 -0.000 0.000 0.490 54 R N 0.520 121.050 120.500 0.050 0.000 2.782 54 R HA 0.258 4.598 4.340 0.001 0.000 0.293 54 R C -1.926 174.362 176.300 -0.021 0.000 1.333 54 R CA -1.186 54.923 56.100 0.015 0.000 1.479 54 R CB 0.992 31.309 30.300 0.027 0.000 1.306 54 R HN 0.249 8.519 8.270 -0.000 0.000 0.654 55 P HA -0.156 4.264 4.420 -0.000 0.000 0.225 55 P C 0.149 177.400 177.300 -0.081 0.000 1.148 55 P CA 1.186 64.252 63.100 -0.058 0.000 0.779 55 P CB 0.466 32.118 31.700 -0.080 0.000 0.780 56 E N 0.442 120.599 120.200 -0.072 0.000 2.268 56 E HA -0.068 4.283 4.350 0.001 0.000 0.195 56 E C 1.424 177.975 176.600 -0.081 0.000 0.995 56 E CA 0.781 57.135 56.400 -0.077 0.000 0.836 56 E CB -1.155 28.507 29.700 -0.062 0.000 0.763 56 E HN 0.274 8.634 8.360 -0.000 0.000 0.491 57 V N -1.873 117.992 119.914 -0.083 0.000 2.887 57 V HA 0.387 4.508 4.120 0.001 0.000 0.370 57 V C 0.020 176.034 176.094 -0.133 0.000 1.322 57 V CA -0.875 61.363 62.300 -0.103 0.000 1.267 57 V CB -0.466 31.301 31.823 -0.093 0.000 1.344 57 V HN 0.058 8.248 8.190 -0.000 0.000 0.573 58 R N 1.393 121.822 120.500 -0.118 0.000 3.525 58 R HA -0.221 4.119 4.340 0.001 0.000 0.276 58 R C 0.454 176.659 176.300 -0.159 0.000 1.116 58 R CA 0.872 56.903 56.100 -0.116 0.000 0.745 58 R CB -2.356 27.845 30.300 -0.165 0.000 1.185 58 R HN 0.822 9.092 8.270 -0.000 0.000 0.454 59 N N -2.422 116.193 118.700 -0.141 0.000 2.725 59 N HA -0.210 4.531 4.740 0.001 0.000 0.249 59 N C 0.189 175.479 175.510 -0.368 0.000 1.103 59 N CA 1.391 54.327 53.050 -0.189 0.000 0.707 59 N CB -0.875 37.491 38.487 -0.201 0.000 1.043 59 N HN 0.672 9.052 8.380 -0.000 0.000 0.553 60 A N 0.268 122.904 122.820 -0.307 0.000 2.483 60 A HA 0.392 4.712 4.320 0.001 0.000 0.238 60 A C 0.422 177.867 177.584 -0.233 0.000 1.070 60 A CA -0.072 51.724 52.037 -0.401 0.000 0.770 60 A CB -0.056 18.755 19.000 -0.315 0.000 1.008 60 A HN 0.306 8.456 8.150 -0.000 0.000 0.497 61 F N 0.786 120.650 119.950 -0.144 0.000 2.415 61 F HA 0.696 5.223 4.527 0.001 0.000 0.348 61 F C 0.433 176.233 175.800 -0.000 0.000 1.119 61 F CA -1.308 56.686 58.000 -0.010 0.000 1.069 61 F CB 0.802 39.855 39.000 0.090 0.000 1.124 61 F HN 0.740 9.040 8.300 -0.000 0.000 0.472 62 R N 2.826 123.478 120.500 0.253 0.000 2.691 62 R HA 0.608 4.948 4.340 0.001 0.000 0.259 62 R C -2.430 173.988 176.300 0.196 0.000 1.048 62 R CA -1.792 54.420 56.100 0.187 0.000 1.086 62 R CB 0.165 30.539 30.300 0.124 0.000 1.166 62 R HN 0.267 8.537 8.270 -0.000 0.000 0.526 63 P HA -0.248 4.172 4.420 -0.000 0.000 0.217 63 P C 0.863 178.226 177.300 0.104 0.000 1.151 63 P CA 1.649 64.825 63.100 0.127 0.000 0.849 63 P CB -0.108 31.667 31.700 0.124 0.000 0.787 64 H N -0.776 118.326 119.070 0.054 0.000 2.387 64 H HA -0.088 4.469 4.556 0.001 0.000 0.299 64 H C 1.523 176.863 175.328 0.020 0.000 1.090 64 H CA 2.288 58.357 56.048 0.036 0.000 1.332 64 H CB -0.825 28.958 29.762 0.036 0.000 1.386 64 H HN -0.018 8.262 8.280 -0.000 0.000 0.516 65 T N -0.040 114.480 114.554 -0.057 0.000 2.684 65 T HA -0.155 4.195 4.350 0.001 0.000 0.267 65 T C 2.246 176.844 174.700 -0.171 0.000 1.036 65 T CA 1.659 63.713 62.100 -0.075 0.000 1.148 65 T CB -0.637 68.341 68.868 0.185 0.000 0.863 65 T HN 0.189 8.429 8.240 -0.000 0.000 0.436 66 V N 2.468 122.277 119.914 -0.174 0.000 2.295 66 V HA -0.194 3.926 4.120 0.001 0.000 0.246 66 V C 2.391 178.200 176.094 -0.474 0.000 1.049 66 V CA 1.796 63.879 62.300 -0.362 0.000 1.024 66 V CB -0.770 30.813 31.823 -0.401 0.000 0.648 66 V HN 0.385 8.575 8.190 -0.000 0.000 0.447 67 D N 0.164 120.328 120.400 -0.393 0.000 2.116 67 D HA -0.185 4.455 4.640 0.001 0.000 0.193 67 D C 2.228 178.431 176.300 -0.162 0.000 0.998 67 D CA 1.597 55.456 54.000 -0.234 0.000 0.836 67 D CB -0.232 40.536 40.800 -0.052 0.000 0.951 67 D HN 0.585 8.955 8.370 -0.000 0.000 0.449 68 E N -0.087 119.954 120.200 -0.265 0.000 2.047 68 E HA -0.117 4.233 4.350 0.001 0.000 0.191 68 E C 2.191 178.652 176.600 -0.232 0.000 0.987 68 E CA 0.194 56.460 56.400 -0.222 0.000 0.799 68 E CB -0.134 29.382 29.700 -0.306 0.000 0.752 68 E HN 0.115 8.475 8.360 -0.000 0.000 0.449 69 L N 0.527 121.576 121.223 -0.291 0.000 2.042 69 L HA -0.221 4.119 4.340 0.001 0.000 0.210 69 L C 2.259 178.968 176.870 -0.270 0.000 1.076 69 L CA 1.684 56.316 54.840 -0.346 0.000 0.749 69 L CB -0.644 41.178 42.059 -0.395 0.000 0.893 69 L HN 0.098 8.328 8.230 -0.000 0.000 0.432 70 Y N 0.973 121.097 120.300 -0.294 0.000 2.053 70 Y HA -0.356 4.195 4.550 0.001 0.000 0.277 70 Y C 2.940 178.771 175.900 -0.115 0.000 1.159 70 Y CA 2.786 60.771 58.100 -0.191 0.000 1.125 70 Y CB -0.333 38.034 38.460 -0.156 0.000 0.969 70 Y HN 0.347 8.627 8.280 -0.000 0.000 0.492 71 R N -0.580 119.964 120.500 0.073 0.000 2.096 71 R HA -0.125 4.216 4.340 0.001 0.000 0.235 71 R C 1.852 178.135 176.300 -0.030 0.000 1.127 71 R CA 1.903 58.066 56.100 0.105 0.000 0.968 71 R CB -1.019 29.407 30.300 0.210 0.000 0.861 71 R HN 0.307 8.577 8.270 -0.000 0.000 0.440 72 V N 1.568 121.320 119.914 -0.271 0.000 2.323 72 V HA -0.183 3.937 4.120 0.001 0.000 0.244 72 V C 2.467 178.201 176.094 -0.600 0.000 1.041 72 V CA 1.638 63.530 62.300 -0.680 0.000 1.025 72 V CB -0.364 30.936 31.823 -0.871 0.000 0.656 72 V HN 0.285 8.475 8.190 -0.000 0.000 0.451 73 L N -0.119 120.826 121.223 -0.463 0.000 2.083 73 L HA -0.188 4.152 4.340 0.001 0.000 0.209 73 L C 2.380 179.083 176.870 -0.278 0.000 1.083 73 L CA 1.749 56.370 54.840 -0.365 0.000 0.752 73 L CB -0.621 41.231 42.059 -0.345 0.000 0.899 73 L HN 0.360 8.590 8.230 -0.000 0.000 0.433 74 D N -0.789 119.419 120.400 -0.321 0.000 2.104 74 D HA -0.274 4.367 4.640 0.001 0.000 0.194 74 D C 2.154 178.429 176.300 -0.042 0.000 0.994 74 D CA 1.260 55.130 54.000 -0.216 0.000 0.830 74 D CB -0.057 40.618 40.800 -0.208 0.000 0.959 74 D HN 0.322 8.692 8.370 -0.000 0.000 0.452 75 H N -0.028 119.020 119.070 -0.037 0.000 2.389 75 H HA -0.008 4.548 4.556 0.001 0.000 0.299 75 H C 1.719 177.106 175.328 0.098 0.000 1.081 75 H CA 1.663 57.778 56.048 0.111 0.000 1.345 75 H CB -0.017 29.944 29.762 0.331 0.000 1.393 75 H HN 0.161 8.441 8.280 -0.000 0.000 0.520 76 A N 1.608 124.478 122.820 0.084 0.000 1.930 76 A HA -0.143 4.178 4.320 0.001 0.000 0.217 76 A C 2.622 180.199 177.584 -0.011 0.000 1.175 76 A CA 1.308 53.393 52.037 0.080 0.000 0.627 76 A CB -0.664 18.350 19.000 0.024 0.000 0.815 76 A HN 0.468 8.618 8.150 -0.000 0.000 0.443 77 R N -0.555 119.917 120.500 -0.047 0.000 2.091 77 R HA -0.087 4.253 4.340 0.001 0.000 0.238 77 R C 1.705 177.986 176.300 -0.032 0.000 1.136 77 R CA 1.952 58.033 56.100 -0.032 0.000 0.959 77 R CB -0.280 29.997 30.300 -0.038 0.000 0.856 77 R HN 0.538 8.808 8.270 -0.000 0.000 0.437 78 M N 0.498 120.057 119.600 -0.069 0.000 2.561 78 M HA 0.078 4.558 4.480 0.001 0.000 0.238 78 M C -0.039 176.196 176.300 -0.107 0.000 1.131 78 M CA 0.218 55.473 55.300 -0.076 0.000 1.046 78 M CB 0.685 33.242 32.600 -0.072 0.000 1.532 78 M HN -0.069 8.221 8.290 -0.000 0.000 0.497 79 S N 3.000 118.625 115.700 -0.125 0.000 2.400 79 S HA 0.171 4.641 4.470 0.001 0.000 0.295 79 S C -1.488 173.100 174.600 -0.021 0.000 1.113 79 S CA -1.070 57.077 58.200 -0.090 0.000 1.064 79 S CB 0.416 63.578 63.200 -0.062 0.000 0.990 79 S HN 0.192 8.502 8.310 -0.000 0.000 0.502 80 P HA -0.038 4.382 4.420 -0.000 0.000 0.233 80 P C 0.396 177.703 177.300 0.012 0.000 1.167 80 P CA 0.750 63.850 63.100 0.000 0.000 0.770 80 P CB 0.066 31.765 31.700 -0.001 0.000 0.837 81 D N -0.867 119.546 120.400 0.022 0.000 2.368 81 D HA 0.058 4.698 4.640 0.001 0.000 0.218 81 D C 0.030 176.359 176.300 0.047 0.000 1.112 81 D CA -0.405 53.614 54.000 0.032 0.000 0.834 81 D CB -0.108 40.713 40.800 0.035 0.000 0.953 81 D HN -0.034 8.336 8.370 -0.000 0.000 0.505 82 V N 0.893 120.838 119.914 0.050 0.000 2.384 82 V HA 0.551 4.671 4.120 0.001 0.000 0.287 82 V C 1.248 177.372 176.094 0.051 0.000 1.020 82 V CA -0.374 61.969 62.300 0.071 0.000 0.850 82 V CB 1.612 33.497 31.823 0.104 0.000 0.987 82 V HN 0.248 8.438 8.190 -0.000 0.000 0.436 83 G N 3.928 112.757 108.800 0.049 0.000 2.656 83 G HA2 0.271 4.231 3.960 0.001 0.000 0.211 83 G HA3 0.271 4.231 3.960 0.001 0.000 0.211 83 G C 0.201 175.124 174.900 0.039 0.000 1.137 83 G CA 0.312 45.431 45.100 0.032 0.000 0.802 83 G HN 0.515 8.805 8.290 -0.000 0.000 0.527 84 V N 0.662 120.613 119.914 0.063 0.000 2.808 84 V HA 0.470 4.591 4.120 0.001 0.000 0.308 84 V C -0.869 175.282 176.094 0.095 0.000 1.099 84 V CA -0.837 61.506 62.300 0.071 0.000 0.920 84 V CB 2.283 34.153 31.823 0.079 0.000 1.014 84 V HN -0.086 8.104 8.190 -0.000 0.000 0.425 85 V N 5.170 125.128 119.914 0.072 0.000 2.398 85 V HA 0.477 4.597 4.120 0.001 0.000 0.286 85 V C -0.583 175.549 176.094 0.065 0.000 1.026 85 V CA -0.598 61.743 62.300 0.069 0.000 0.868 85 V CB 1.563 33.395 31.823 0.015 0.000 0.982 85 V HN 0.564 8.754 8.190 -0.000 0.000 0.443 86 L N 5.714 126.986 121.223 0.082 0.000 2.265 86 L HA 0.512 4.852 4.340 0.001 0.000 0.289 86 L C -0.435 176.445 176.870 0.017 0.000 1.033 86 L CA -0.119 54.754 54.840 0.055 0.000 0.814 86 L CB 1.169 43.287 42.059 0.098 0.000 1.203 86 L HN 0.569 8.799 8.230 -0.000 0.000 0.423 87 L N 4.054 125.291 121.223 0.023 0.000 2.287 87 L HA 0.777 5.118 4.340 0.001 0.000 0.287 87 L C 0.028 177.005 176.870 0.178 0.000 1.022 87 L CA 0.639 55.528 54.840 0.081 0.000 0.814 87 L CB 1.510 43.638 42.059 0.115 0.000 1.217 87 L HN 0.695 8.925 8.230 -0.000 0.000 0.420 88 T N 2.440 117.170 114.554 0.293 0.000 2.645 88 T HA 0.812 5.162 4.350 0.001 0.000 0.300 88 T C -0.961 174.049 174.700 0.517 0.000 1.210 88 T CA -0.161 62.185 62.100 0.411 0.000 1.034 88 T CB 1.253 70.201 68.868 0.132 0.000 1.537 88 T HN 0.805 9.045 8.240 -0.000 0.000 0.492 89 G N 1.567 110.637 108.800 0.450 0.000 2.617 89 G HA2 0.568 4.529 3.960 0.001 0.000 0.306 89 G HA3 0.568 4.529 3.960 0.001 0.000 0.306 89 G C -1.060 173.964 174.900 0.208 0.000 1.360 89 G CA -0.595 44.694 45.100 0.315 0.000 0.983 89 G HN 0.638 8.928 8.290 -0.000 0.000 0.496 90 N N -0.142 118.631 118.700 0.122 0.000 2.513 90 N HA 0.726 5.466 4.740 0.001 0.000 0.274 90 N C 0.558 176.146 175.510 0.130 0.000 1.189 90 N CA 0.519 53.613 53.050 0.073 0.000 0.975 90 N CB 1.872 40.331 38.487 -0.046 0.000 1.157 90 N HN 0.934 9.314 8.380 -0.000 0.000 0.465 91 G N -0.096 108.797 108.800 0.156 0.000 2.427 91 G HA2 0.377 4.338 3.960 0.001 0.000 0.306 91 G HA3 0.377 4.338 3.960 0.001 0.000 0.306 91 G C -3.077 171.625 174.900 -0.330 0.000 1.280 91 G CA -0.543 44.504 45.100 -0.088 0.000 0.837 91 G HN 0.379 8.669 8.290 -0.000 0.000 0.482 92 P HA 0.406 4.826 4.420 -0.000 0.000 0.293 92 P C 0.097 177.080 177.300 -0.528 0.000 1.304 92 P CA -0.266 62.121 63.100 -1.189 0.000 0.767 92 P CB 1.023 31.692 31.700 -1.719 0.000 1.247 93 S N 0.324 115.767 115.700 -0.427 0.000 2.525 93 S HA 0.093 4.563 4.470 0.001 0.000 0.285 93 S C -1.473 172.995 174.600 -0.219 0.000 1.283 93 S CA -0.876 57.175 58.200 -0.248 0.000 1.072 93 S CB -0.622 62.463 63.200 -0.192 0.000 0.867 93 S HN 0.197 8.507 8.310 -0.000 0.000 0.492 94 P HA -0.031 4.389 4.420 -0.000 0.000 0.223 94 P C 1.210 178.449 177.300 -0.102 0.000 1.151 94 P CA 0.630 63.657 63.100 -0.121 0.000 0.787 94 P CB 0.166 31.814 31.700 -0.088 0.000 0.788 95 K N 0.497 120.837 120.400 -0.100 0.000 2.044 95 K HA -0.108 4.213 4.320 0.001 0.000 0.204 95 K C 0.671 177.221 176.600 -0.083 0.000 1.049 95 K CA 1.941 58.179 56.287 -0.081 0.000 0.945 95 K CB -0.021 32.435 32.500 -0.074 0.000 0.724 95 K HN 0.117 8.367 8.250 -0.000 0.000 0.440 96 D N -2.733 117.605 120.400 -0.104 0.000 2.539 96 D HA 0.122 4.763 4.640 0.001 0.000 0.232 96 D C 0.790 177.015 176.300 -0.125 0.000 1.256 96 D CA 0.552 54.496 54.000 -0.093 0.000 0.810 96 D CB 0.480 41.239 40.800 -0.069 0.000 1.090 96 D HN 0.332 8.702 8.370 -0.000 0.000 0.519 97 G N -0.284 108.398 108.800 -0.196 0.000 2.184 97 G HA2 -0.152 3.808 3.960 0.001 0.000 0.264 97 G HA3 -0.152 3.808 3.960 0.001 0.000 0.264 97 G C 0.690 175.337 174.900 -0.422 0.000 0.975 97 G CA 0.118 45.040 45.100 -0.297 0.000 0.642 97 G HN 0.830 9.120 8.290 -0.000 0.000 0.536 98 G N -0.992 107.633 108.800 -0.291 0.000 2.444 98 G HA2 0.451 4.411 3.960 0.001 0.000 0.268 98 G HA3 0.451 4.411 3.960 0.001 0.000 0.268 98 G C -0.193 174.548 174.900 -0.266 0.000 1.203 98 G CA -0.589 44.395 45.100 -0.194 0.000 0.835 98 G HN 0.322 8.612 8.290 -0.000 0.000 0.543 99 W N 0.317 121.563 121.300 -0.091 0.000 2.496 99 W HA 0.611 5.271 4.660 0.000 0.000 0.327 99 W C 0.161 176.733 176.519 0.088 0.000 1.086 99 W CA -0.364 56.941 57.345 -0.068 0.000 1.222 99 W CB 2.254 31.579 29.460 -0.223 0.000 1.304 99 W HN 0.734 8.914 8.180 -0.000 0.000 0.547 100 A N 3.157 126.198 122.820 0.368 0.000 2.488 100 A HA 0.473 4.793 4.320 0.001 0.000 0.298 100 A C -0.608 177.125 177.584 0.249 0.000 1.044 100 A CA -0.633 51.573 52.037 0.283 0.000 0.693 100 A CB 0.755 19.852 19.000 0.161 0.000 1.272 100 A HN 0.702 8.852 8.150 -0.000 0.000 0.402 101 F N 2.103 122.101 119.950 0.079 0.000 2.094 101 F HA 0.345 4.873 4.527 0.000 0.000 0.291 101 F C 0.675 176.456 175.800 -0.032 0.000 1.109 101 F CA 0.661 58.692 58.000 0.051 0.000 1.221 101 F CB 0.048 39.043 39.000 -0.008 0.000 1.014 101 F HN 0.950 9.250 8.300 -0.000 0.000 0.473 102 C N 0.881 119.861 119.300 -0.534 0.000 3.259 102 C HA 0.409 4.870 4.460 0.001 0.000 0.431 102 C C 0.498 175.233 174.990 -0.425 0.000 0.967 102 C CA -0.261 58.248 59.018 -0.850 0.000 1.175 102 C CB 0.103 26.833 27.740 -1.683 0.000 1.566 102 C HN 0.600 8.830 8.230 -0.000 0.000 0.615 103 S N 3.945 119.392 115.700 -0.421 0.000 2.572 103 S HA 0.584 5.054 4.470 0.001 0.000 0.228 103 S C 0.953 175.319 174.600 -0.390 0.000 0.963 103 S CA 1.199 59.220 58.200 -0.299 0.000 0.939 103 S CB -0.160 62.872 63.200 -0.280 0.000 0.804 103 S HN 2.808 11.118 8.310 -0.000 0.000 0.480 104 G N 0.481 108.910 108.800 -0.619 0.000 2.545 104 G HA2 0.141 4.101 3.960 0.001 0.000 0.216 104 G HA3 0.141 4.101 3.960 0.001 0.000 0.216 104 G C 0.134 174.203 174.900 -1.385 0.000 1.314 104 G CA -0.538 44.034 45.100 -0.878 0.000 0.906 104 G HN 1.218 9.508 8.290 -0.000 0.000 0.563 105 G N -0.167 108.051 108.800 -0.970 0.000 2.398 105 G HA2 0.432 4.392 3.960 0.001 0.000 0.246 105 G HA3 0.432 4.392 3.960 0.001 0.000 0.246 105 G C 0.094 174.783 174.900 -0.351 0.000 1.289 105 G CA 0.809 45.556 45.100 -0.588 0.000 0.869 105 G HN 0.755 9.045 8.290 -0.000 0.000 0.543 106 D N 1.201 121.474 120.400 -0.211 0.000 2.434 106 D HA 0.100 4.741 4.640 0.001 0.000 0.252 106 D C 0.477 176.726 176.300 -0.084 0.000 1.185 106 D CA 0.498 54.420 54.000 -0.129 0.000 0.886 106 D CB 0.907 41.678 40.800 -0.049 0.000 1.148 106 D HN 0.366 8.736 8.370 -0.000 0.000 0.483 135 H N 0.314 119.355 119.070 -0.050 0.000 2.421 135 H HA 0.007 4.563 4.556 0.001 0.000 0.298 135 H C 1.991 177.260 175.328 -0.098 0.000 1.087 135 H CA 2.070 58.062 56.048 -0.093 0.000 1.330 135 H CB 0.342 30.044 29.762 -0.100 0.000 1.388 135 H HN 0.306 8.586 8.280 -0.000 0.000 0.526 136 I N 0.429 121.001 120.570 0.003 0.000 2.361 136 I HA -0.216 3.955 4.170 0.001 0.000 0.251 136 I C 2.215 178.326 176.117 -0.010 0.000 1.133 136 I CA 0.768 61.997 61.300 -0.119 0.000 1.413 136 I CB -0.321 37.528 38.000 -0.250 0.000 1.073 136 I HN 0.201 8.411 8.210 -0.000 0.000 0.424 137 L N -0.374 120.875 121.223 0.042 0.000 2.131 137 L HA -0.201 4.139 4.340 0.001 0.000 0.210 137 L C 2.296 179.196 176.870 0.051 0.000 1.092 137 L CA 1.342 56.217 54.840 0.059 0.000 0.759 137 L CB -0.804 41.299 42.059 0.073 0.000 0.903 137 L HN 0.306 8.536 8.230 -0.000 0.000 0.435 138 E N -0.300 119.950 120.200 0.083 0.000 2.106 138 E HA -0.158 4.192 4.350 0.001 0.000 0.192 138 E C 2.309 179.041 176.600 0.219 0.000 0.984 138 E CA 0.917 57.400 56.400 0.139 0.000 0.806 138 E CB 0.041 29.801 29.700 0.099 0.000 0.750 138 E HN 0.250 8.610 8.360 -0.000 0.000 0.458 139 V N 1.385 121.398 119.914 0.165 0.000 2.358 139 V HA -0.272 3.849 4.120 0.001 0.000 0.246 139 V C 2.261 178.317 176.094 -0.062 0.000 1.047 139 V CA 1.659 64.004 62.300 0.075 0.000 1.035 139 V CB -0.455 31.351 31.823 -0.028 0.000 0.658 139 V HN 0.259 8.449 8.190 -0.000 0.000 0.452 140 Q N -0.326 119.427 119.800 -0.077 0.000 2.062 140 Q HA -0.279 4.061 4.340 0.001 0.000 0.209 140 Q C 2.506 178.288 176.000 -0.363 0.000 0.996 140 Q CA 2.064 57.759 55.803 -0.180 0.000 0.859 140 Q CB -0.275 28.397 28.738 -0.111 0.000 0.920 140 Q HN 0.575 8.845 8.270 -0.000 0.000 0.415 141 R N 0.200 120.493 120.500 -0.344 0.000 2.092 141 R HA -0.066 4.274 4.340 0.001 0.000 0.231 141 R C 2.408 178.340 176.300 -0.612 0.000 1.119 141 R CA 0.712 56.398 56.100 -0.690 0.000 0.970 141 R CB -0.381 29.655 30.300 -0.440 0.000 0.864 141 R HN 0.308 8.578 8.270 -0.000 0.000 0.440 142 L N 0.935 122.019 121.223 -0.232 0.000 1.990 142 L HA -0.238 4.102 4.340 0.001 0.000 0.213 142 L C 2.312 179.073 176.870 -0.181 0.000 1.072 142 L CA 1.663 56.402 54.840 -0.168 0.000 0.755 142 L CB -0.249 41.665 42.059 -0.241 0.000 0.889 142 L HN 0.213 8.443 8.230 -0.000 0.000 0.432 143 I N -0.764 119.682 120.570 -0.206 0.000 2.226 143 I HA -0.321 3.849 4.170 0.001 0.000 0.245 143 I C 2.699 178.718 176.117 -0.164 0.000 1.100 143 I CA 1.012 62.217 61.300 -0.159 0.000 1.374 143 I CB -0.288 37.626 38.000 -0.144 0.000 1.057 143 I HN 0.263 8.473 8.210 -0.000 0.000 0.413 144 R N 1.303 121.601 120.500 -0.337 0.000 2.066 144 R HA -0.114 4.227 4.340 0.001 0.000 0.232 144 R C 1.903 178.219 176.300 0.026 0.000 1.131 144 R CA 1.896 57.794 56.100 -0.337 0.000 0.955 144 R CB -0.608 29.244 30.300 -0.747 0.000 0.851 144 R HN 0.336 8.606 8.270 -0.000 0.000 0.432 145 F N 0.446 120.425 119.950 0.047 0.000 2.754 145 F HA 0.170 4.697 4.527 0.001 0.000 0.297 145 F C 0.959 176.918 175.800 0.264 0.000 1.122 145 F CA -0.719 57.368 58.000 0.146 0.000 1.400 145 F CB -0.084 38.939 39.000 0.038 0.000 1.117 145 F HN 0.037 8.337 8.300 -0.000 0.000 0.587 146 M N 3.420 123.191 119.600 0.284 0.000 2.219 146 M HA 0.212 4.693 4.480 0.001 0.000 0.353 146 M C -2.258 174.154 176.300 0.187 0.000 1.304 146 M CA -1.590 53.831 55.300 0.203 0.000 1.115 146 M CB 0.459 33.095 32.600 0.059 0.000 1.664 146 M HN -0.276 8.014 8.290 -0.000 0.000 0.459 147 P HA 0.205 4.625 4.420 -0.000 0.000 0.246 147 P C -1.340 175.900 177.300 -0.100 0.000 1.686 147 P CA 0.295 63.346 63.100 -0.082 0.000 0.867 147 P CB -0.317 31.421 31.700 0.063 0.000 1.733 148 K N -0.867 119.500 120.400 -0.055 0.000 2.512 148 K HA 0.447 4.767 4.320 0.001 0.000 0.263 148 K C -0.834 175.755 176.600 -0.019 0.000 0.966 148 K CA -1.011 55.257 56.287 -0.033 0.000 0.851 148 K CB 2.353 34.852 32.500 -0.001 0.000 1.395 148 K HN -0.292 7.958 8.250 -0.000 0.000 0.440 149 V N 2.342 122.256 119.914 -0.000 0.000 2.508 149 V HA 0.161 4.282 4.120 0.001 0.000 0.281 149 V C -0.407 175.706 176.094 0.031 0.000 1.041 149 V CA -0.544 61.770 62.300 0.022 0.000 1.016 149 V CB 1.006 32.855 31.823 0.042 0.000 0.984 149 V HN 0.407 8.597 8.190 -0.000 0.000 0.478 150 V N 6.956 126.885 119.914 0.026 0.000 2.347 150 V HA 0.446 4.567 4.120 0.001 0.000 0.280 150 V C -0.003 176.109 176.094 0.030 0.000 1.021 150 V CA -0.380 61.932 62.300 0.021 0.000 0.847 150 V CB 1.397 33.218 31.823 -0.002 0.000 0.990 150 V HN 0.643 8.833 8.190 -0.000 0.000 0.444 151 I N 4.303 124.892 120.570 0.033 0.000 2.312 151 I HA 0.295 4.465 4.170 0.001 0.000 0.290 151 I C 0.232 176.330 176.117 -0.032 0.000 1.008 151 I CA -0.164 61.143 61.300 0.012 0.000 1.226 151 I CB 1.277 39.291 38.000 0.023 0.000 1.371 151 I HN 0.595 8.805 8.210 -0.000 0.000 0.468 152 C N 8.205 127.467 119.300 -0.064 0.000 2.499 152 C HA 0.435 4.895 4.460 0.001 0.000 0.386 152 C C 0.270 175.120 174.990 -0.232 0.000 1.293 152 C CA -0.512 58.409 59.018 -0.162 0.000 1.884 152 C CB -0.747 26.887 27.740 -0.178 0.000 2.509 152 C HN 0.632 8.862 8.230 -0.000 0.000 0.566 153 L N 7.509 128.580 121.223 -0.253 0.000 2.283 153 L HA 0.381 4.722 4.340 0.001 0.000 0.281 153 L C -0.210 176.477 176.870 -0.305 0.000 1.033 153 L CA -0.428 54.270 54.840 -0.236 0.000 0.848 153 L CB 0.943 42.915 42.059 -0.146 0.000 1.226 153 L HN 0.380 8.610 8.230 -0.000 0.000 0.429 154 V N 3.745 123.452 119.914 -0.345 0.000 2.372 154 V HA 0.067 4.188 4.120 0.001 0.000 0.261 154 V C 1.039 177.022 176.094 -0.185 0.000 1.055 154 V CA -0.374 61.706 62.300 -0.368 0.000 0.930 154 V CB 0.554 32.078 31.823 -0.498 0.000 1.031 154 V HN 0.868 9.058 8.190 -0.000 0.000 0.479 155 N N 3.771 122.445 118.700 -0.043 0.000 2.236 155 N HA 0.251 4.991 4.740 0.001 0.000 0.196 155 N C 0.378 175.948 175.510 0.099 0.000 1.114 155 N CA 0.607 53.643 53.050 -0.022 0.000 0.859 155 N CB 1.884 40.350 38.487 -0.035 0.000 0.982 155 N HN 0.649 9.029 8.380 -0.000 0.000 0.493 156 G N -0.242 108.603 108.800 0.075 0.000 2.435 156 G HA2 0.250 4.211 3.960 0.001 0.000 0.296 156 G HA3 0.250 4.211 3.960 0.001 0.000 0.296 156 G C -1.917 172.967 174.900 -0.026 0.000 1.240 156 G CA -1.116 44.042 45.100 0.096 0.000 0.872 156 G HN 0.139 8.429 8.290 -0.000 0.000 0.480 157 W N 0.964 122.279 121.300 0.025 0.000 2.314 157 W HA 0.414 5.074 4.660 0.000 0.000 0.339 157 W C 0.593 177.086 176.519 -0.044 0.000 1.293 157 W CA 1.233 58.552 57.345 -0.043 0.000 1.288 157 W CB 0.612 30.054 29.460 -0.031 0.000 1.186 157 W HN 0.703 8.883 8.180 -0.000 0.000 0.566 158 A N 3.204 126.123 122.820 0.166 0.000 2.466 158 A HA 0.834 5.155 4.320 0.001 0.000 0.291 158 A C -0.874 176.887 177.584 0.295 0.000 1.234 158 A CA -0.500 51.664 52.037 0.212 0.000 0.752 158 A CB 0.482 19.507 19.000 0.041 0.000 1.153 158 A HN 0.745 8.895 8.150 -0.000 0.000 0.458 159 A N 1.692 124.638 122.820 0.210 0.000 2.435 159 A HA 0.917 5.238 4.320 0.001 0.000 0.304 159 A C 0.934 178.564 177.584 0.077 0.000 1.064 159 A CA 0.231 52.353 52.037 0.141 0.000 0.727 159 A CB 0.768 19.784 19.000 0.027 0.000 1.284 159 A HN 2.690 10.840 8.150 -0.000 0.000 0.415 160 G N 1.244 110.078 108.800 0.056 0.000 2.651 160 G HA2 -0.093 3.868 3.960 0.001 0.000 0.315 160 G HA3 -0.093 3.868 3.960 0.001 0.000 0.315 160 G C 1.470 176.465 174.900 0.158 0.000 1.258 160 G CA 1.276 46.407 45.100 0.050 0.000 1.002 160 G HN 2.189 10.479 8.290 -0.000 0.000 0.551 161 G N 0.279 109.158 108.800 0.132 0.000 2.485 161 G HA2 0.129 4.089 3.960 0.001 0.000 0.221 161 G HA3 0.129 4.089 3.960 0.001 0.000 0.221 161 G C 1.807 176.915 174.900 0.348 0.000 1.115 161 G CA 2.013 47.294 45.100 0.302 0.000 0.751 161 G HN 1.746 10.036 8.290 -0.000 0.000 0.567 162 G N -0.808 108.097 108.800 0.175 0.000 2.403 162 G HA2 -0.192 3.769 3.960 0.001 0.000 0.216 162 G HA3 -0.192 3.769 3.960 0.001 0.000 0.216 162 G C 1.549 176.708 174.900 0.432 0.000 1.154 162 G CA 1.048 46.259 45.100 0.184 0.000 0.784 162 G HN 0.520 8.810 8.290 -0.000 0.000 0.538 163 H N 1.120 120.373 119.070 0.305 0.000 2.321 163 H HA -0.050 4.506 4.556 0.001 0.000 0.300 163 H C 2.610 178.188 175.328 0.416 0.000 1.087 163 H CA 1.696 57.986 56.048 0.403 0.000 1.319 163 H CB -0.070 29.857 29.762 0.274 0.000 1.379 163 H HN 0.304 8.584 8.280 -0.000 0.000 0.501 164 S N 0.741 116.692 115.700 0.419 0.000 2.382 164 S HA -0.093 4.378 4.470 0.001 0.000 0.228 164 S C 2.518 177.269 174.600 0.253 0.000 1.027 164 S CA 0.799 59.206 58.200 0.344 0.000 0.991 164 S CB -0.229 63.197 63.200 0.377 0.000 0.823 164 S HN 0.319 8.629 8.310 -0.000 0.000 0.469 165 L N 0.905 122.318 121.223 0.317 0.000 2.042 165 L HA -0.209 4.132 4.340 0.001 0.000 0.210 165 L C 2.581 179.606 176.870 0.258 0.000 1.076 165 L CA 1.923 56.948 54.840 0.308 0.000 0.749 165 L CB -0.677 41.657 42.059 0.458 0.000 0.893 165 L HN 0.499 8.729 8.230 -0.000 0.000 0.432 166 H N -0.723 118.469 119.070 0.204 0.000 2.353 166 H HA -0.133 4.423 4.556 0.001 0.000 0.300 166 H C 1.987 177.331 175.328 0.028 0.000 1.090 166 H CA 1.921 57.983 56.048 0.024 0.000 1.327 166 H CB -0.561 29.170 29.762 -0.052 0.000 1.383 166 H HN 0.020 8.300 8.280 -0.000 0.000 0.508 167 V N 0.281 119.819 119.914 -0.627 0.000 2.332 167 V HA -0.232 3.888 4.120 0.001 0.000 0.248 167 V C 2.637 178.729 176.094 -0.002 0.000 1.055 167 V CA 1.661 63.687 62.300 -0.456 0.000 1.038 167 V CB -0.746 31.012 31.823 -0.109 0.000 0.651 167 V HN 0.468 8.658 8.190 -0.000 0.000 0.450 168 V N -0.888 119.063 119.914 0.061 0.000 2.871 168 V HA -0.064 4.056 4.120 0.001 0.000 0.256 168 V C 1.342 177.434 176.094 -0.004 0.000 1.082 168 V CA 0.363 62.682 62.300 0.032 0.000 1.105 168 V CB -0.192 31.552 31.823 -0.131 0.000 0.713 168 V HN 0.642 8.832 8.190 -0.000 0.000 0.473 169 C N 1.370 120.677 119.300 0.013 0.000 2.689 169 C HA 0.053 4.513 4.460 0.001 0.000 0.409 169 C C 1.966 176.988 174.990 0.053 0.000 1.293 169 C CA -0.372 58.656 59.018 0.017 0.000 2.136 169 C CB 0.152 27.905 27.740 0.022 0.000 2.719 169 C HN 0.582 8.812 8.230 -0.000 0.000 0.644 170 D N 0.509 120.937 120.400 0.046 0.000 2.117 170 D HA -0.044 4.596 4.640 0.001 0.000 0.197 170 D C 0.313 176.643 176.300 0.051 0.000 0.987 170 D CA 1.487 55.522 54.000 0.059 0.000 0.829 170 D CB 0.136 40.965 40.800 0.048 0.000 0.961 170 D HN 0.464 8.834 8.370 -0.000 0.000 0.460 171 L N -0.885 120.371 121.223 0.056 0.000 2.376 171 L HA 0.419 4.759 4.340 0.001 0.000 0.258 171 L C -0.547 176.335 176.870 0.019 0.000 1.013 171 L CA -0.557 54.324 54.840 0.068 0.000 0.822 171 L CB 2.714 44.867 42.059 0.157 0.000 1.388 171 L HN -0.347 7.883 8.230 -0.000 0.000 0.413 172 T N 2.251 116.797 114.554 -0.014 0.000 2.928 172 T HA 0.600 4.950 4.350 0.001 0.000 0.296 172 T C -0.752 173.829 174.700 -0.197 0.000 1.000 172 T CA -0.420 61.650 62.100 -0.050 0.000 0.989 172 T CB 1.417 70.362 68.868 0.129 0.000 1.005 172 T HN 0.247 8.487 8.240 -0.000 0.000 0.442 173 L N 2.560 123.608 121.223 -0.292 0.000 2.329 173 L HA 0.896 5.236 4.340 0.001 0.000 0.279 173 L C 0.032 176.751 176.870 -0.251 0.000 1.014 173 L CA -0.940 53.667 54.840 -0.388 0.000 0.814 173 L CB 1.615 43.333 42.059 -0.569 0.000 1.257 173 L HN 0.725 8.955 8.230 -0.000 0.000 0.424 174 A N 1.530 124.229 122.820 -0.202 0.000 2.401 174 A HA 0.630 4.950 4.320 0.001 0.000 0.310 174 A C -0.375 177.136 177.584 -0.121 0.000 1.075 174 A CA -0.536 51.433 52.037 -0.113 0.000 0.746 174 A CB 1.855 20.898 19.000 0.071 0.000 1.277 174 A HN 0.602 8.752 8.150 -0.000 0.000 0.425 175 S N 1.389 117.028 115.700 -0.101 0.000 2.505 175 S HA 0.151 4.621 4.470 0.001 0.000 0.276 175 S C 1.170 175.729 174.600 -0.068 0.000 1.274 175 S CA -0.138 58.026 58.200 -0.060 0.000 1.053 175 S CB 0.440 63.689 63.200 0.083 0.000 0.919 175 S HN 0.795 9.105 8.310 -0.000 0.000 0.490 176 R N 3.177 123.621 120.500 -0.093 0.000 2.073 176 R HA -0.117 4.224 4.340 0.001 0.000 0.234 176 R C 1.655 177.842 176.300 -0.187 0.000 1.134 176 R CA 2.254 58.282 56.100 -0.119 0.000 0.952 176 R CB -0.244 29.988 30.300 -0.113 0.000 0.850 176 R HN 0.801 9.071 8.270 -0.000 0.000 0.433 177 E N -1.574 118.451 120.200 -0.291 0.000 2.208 177 E HA -0.132 4.218 4.350 0.001 0.000 0.193 177 E C 0.786 176.936 176.600 -0.750 0.000 0.988 177 E CA 1.231 57.271 56.400 -0.600 0.000 0.828 177 E CB 0.204 29.361 29.700 -0.905 0.000 0.763 177 E HN 0.518 8.878 8.360 -0.000 0.000 0.478 178 Y N -1.286 118.871 120.300 -0.238 0.000 2.448 178 Y HA 0.432 4.982 4.550 0.001 0.000 0.257 178 Y C 0.406 176.126 175.900 -0.299 0.000 1.089 178 Y CA -0.505 57.419 58.100 -0.292 0.000 1.245 178 Y CB 0.820 39.006 38.460 -0.457 0.000 1.282 178 Y HN -0.112 8.168 8.280 -0.000 0.000 0.529 179 A N 2.194 124.936 122.820 -0.129 0.000 2.488 179 A HA 0.494 4.815 4.320 0.001 0.000 0.249 179 A C 0.011 177.379 177.584 -0.361 0.000 1.083 179 A CA -0.032 51.841 52.037 -0.274 0.000 0.768 179 A CB 0.140 19.009 19.000 -0.220 0.000 1.017 179 A HN 0.233 8.383 8.150 -0.000 0.000 0.496 180 R N 1.875 122.024 120.500 -0.586 0.000 2.538 180 R HA 0.469 4.809 4.340 0.001 0.000 0.292 180 R C -1.974 174.123 176.300 -0.339 0.000 1.008 180 R CA -0.280 55.510 56.100 -0.518 0.000 0.896 180 R CB 1.501 31.074 30.300 -1.211 0.000 1.187 180 R HN 0.588 8.858 8.270 -0.000 0.000 0.440 181 F N 1.697 121.699 119.950 0.086 0.000 2.444 181 F HA 0.469 4.996 4.527 0.001 0.000 0.342 181 F C 0.407 176.383 175.800 0.293 0.000 1.121 181 F CA -0.666 57.495 58.000 0.268 0.000 0.997 181 F CB 1.917 41.083 39.000 0.277 0.000 1.130 181 F HN 0.215 8.515 8.300 -0.000 0.000 0.454 182 K N 2.573 123.203 120.400 0.382 0.000 2.652 182 K HA 0.284 4.605 4.320 0.001 0.000 0.249 182 K C -1.332 175.240 176.600 -0.046 0.000 0.986 182 K CA -0.776 55.628 56.287 0.195 0.000 0.867 182 K CB 1.253 33.926 32.500 0.289 0.000 1.201 182 K HN 0.446 8.696 8.250 -0.000 0.000 0.450 183 Q N 2.743 122.379 119.800 -0.273 0.000 2.472 183 Q HA 0.124 4.464 4.340 0.001 0.000 0.227 183 Q C 0.166 176.027 176.000 -0.232 0.000 1.156 183 Q CA 0.178 55.708 55.803 -0.455 0.000 0.924 183 Q CB 0.796 28.912 28.738 -1.036 0.000 1.354 183 Q HN 0.713 8.983 8.270 -0.000 0.000 0.525 184 T N -0.586 113.898 114.554 -0.117 0.000 3.113 184 T HA -0.001 4.349 4.350 0.001 0.000 0.256 184 T C 0.807 175.505 174.700 -0.003 0.000 1.131 184 T CA 0.317 62.386 62.100 -0.052 0.000 1.074 184 T CB 0.162 68.993 68.868 -0.062 0.000 0.944 184 T HN 0.348 8.588 8.240 -0.000 0.000 0.516 185 D N 2.724 123.137 120.400 0.020 0.000 2.126 185 D HA -0.127 4.513 4.640 0.001 0.000 0.190 185 D C 2.359 178.752 176.300 0.155 0.000 1.001 185 D CA 1.847 55.917 54.000 0.116 0.000 0.841 185 D CB -0.657 40.284 40.800 0.235 0.000 0.949 185 D HN 0.562 8.932 8.370 -0.000 0.000 0.446 186 A N 0.879 123.816 122.820 0.195 0.000 2.070 186 A HA -0.183 4.138 4.320 0.001 0.000 0.220 186 A C 1.789 179.451 177.584 0.129 0.000 1.159 186 A CA 1.483 53.642 52.037 0.204 0.000 0.656 186 A CB -0.313 18.832 19.000 0.241 0.000 0.800 186 A HN 0.115 8.265 8.150 -0.000 0.000 0.453 187 D N -0.075 120.376 120.400 0.086 0.000 2.123 187 D HA -0.145 4.496 4.640 0.001 0.000 0.196 187 D C 1.899 178.226 176.300 0.045 0.000 0.992 187 D CA 2.199 56.230 54.000 0.050 0.000 0.833 187 D CB -0.199 40.612 40.800 0.018 0.000 0.954 187 D HN 0.510 8.880 8.370 -0.000 0.000 0.455 188 V N -3.290 116.653 119.914 0.048 0.000 3.633 188 V HA 0.466 4.586 4.120 0.001 0.000 0.283 188 V C 1.338 177.470 176.094 0.064 0.000 1.305 188 V CA 0.558 62.881 62.300 0.037 0.000 1.153 188 V CB 0.070 31.899 31.823 0.011 0.000 0.950 188 V HN 0.232 8.422 8.190 -0.000 0.000 0.432 189 G N 0.045 108.907 108.800 0.104 0.000 2.143 189 G HA2 -0.271 3.689 3.960 0.001 0.000 0.249 189 G HA3 -0.271 3.689 3.960 0.001 0.000 0.249 189 G C 0.240 175.257 174.900 0.195 0.000 0.981 189 G CA 0.553 45.739 45.100 0.143 0.000 0.665 189 G HN 1.010 9.300 8.290 -0.000 0.000 0.528 190 S N -0.648 115.156 115.700 0.173 0.000 2.747 190 S HA 0.976 5.446 4.470 0.001 0.000 0.300 190 S C -0.517 174.270 174.600 0.313 0.000 1.121 190 S CA 0.058 58.322 58.200 0.106 0.000 0.995 190 S CB 0.947 64.151 63.200 0.007 0.000 1.113 190 S HN 1.516 9.826 8.310 -0.000 0.000 0.547 191 F N 0.086 120.124 119.950 0.147 0.000 2.652 191 F HA 0.414 4.942 4.527 0.000 0.000 0.320 191 F C -1.268 174.644 175.800 0.187 0.000 1.115 191 F CA -1.159 56.959 58.000 0.197 0.000 1.053 191 F CB 0.642 39.733 39.000 0.152 0.000 1.297 191 F HN 0.387 8.687 8.300 -0.000 0.000 0.471 192 D N 2.366 122.993 120.400 0.379 0.000 2.393 192 D HA 0.301 4.941 4.640 0.001 0.000 0.232 192 D C 0.857 177.305 176.300 0.247 0.000 1.192 192 D CA 0.147 54.318 54.000 0.285 0.000 0.882 192 D CB 1.627 42.636 40.800 0.347 0.000 1.038 192 D HN 0.920 9.290 8.370 -0.000 0.000 0.499 193 G N 2.415 111.375 108.800 0.267 0.000 3.233 193 G HA2 0.284 4.244 3.960 0.001 0.000 0.227 193 G HA3 0.284 4.244 3.960 0.001 0.000 0.227 193 G C 0.722 175.662 174.900 0.067 0.000 1.175 193 G CA 0.213 45.429 45.100 0.194 0.000 0.781 193 G HN 0.530 8.820 8.290 -0.000 0.000 0.542 194 G N -0.289 108.554 108.800 0.072 0.000 3.306 194 G HA2 0.284 4.245 3.960 0.001 0.000 0.202 194 G HA3 0.284 4.245 3.960 0.001 0.000 0.202 194 G C 0.719 175.609 174.900 -0.016 0.000 1.673 194 G CA -0.287 44.813 45.100 0.000 0.000 0.776 194 G HN 0.105 8.395 8.290 -0.000 0.000 0.740 195 Y N 1.392 121.751 120.300 0.098 0.000 2.274 195 Y HA -0.007 4.543 4.550 0.001 0.000 0.290 195 Y C 2.946 178.976 175.900 0.216 0.000 1.145 195 Y CA 1.139 59.321 58.100 0.137 0.000 1.203 195 Y CB -0.080 38.410 38.460 0.050 0.000 0.984 195 Y HN 0.372 8.652 8.280 -0.000 0.000 0.533 196 G N -0.930 108.091 108.800 0.368 0.000 2.432 196 G HA2 -0.236 3.725 3.960 0.001 0.000 0.219 196 G HA3 -0.236 3.725 3.960 0.001 0.000 0.219 196 G C 1.645 176.819 174.900 0.456 0.000 1.135 196 G CA 1.401 46.770 45.100 0.448 0.000 0.767 196 G HN 0.489 8.779 8.290 -0.000 0.000 0.550 197 S N 0.264 116.023 115.700 0.099 0.000 2.738 197 S HA 0.465 4.935 4.470 0.001 0.000 0.216 197 S C 2.567 177.107 174.600 -0.100 0.000 0.968 197 S CA 1.004 59.025 58.200 -0.299 0.000 0.879 197 S CB -0.508 62.193 63.200 -0.831 0.000 0.837 197 S HN 0.446 8.756 8.310 -0.000 0.000 0.622 198 A N 0.742 123.516 122.820 -0.076 0.000 1.940 198 A HA -0.021 4.300 4.320 0.001 0.000 0.219 198 A C 2.058 179.682 177.584 0.067 0.000 1.176 198 A CA 1.633 53.650 52.037 -0.034 0.000 0.631 198 A CB -1.250 17.713 19.000 -0.061 0.000 0.814 198 A HN 0.688 8.838 8.150 -0.000 0.000 0.446 199 Y N -0.610 119.689 120.300 -0.001 0.000 2.337 199 Y HA -0.043 4.508 4.550 0.001 0.000 0.293 199 Y C 2.000 177.945 175.900 0.075 0.000 1.123 199 Y CA 1.102 59.247 58.100 0.075 0.000 1.201 199 Y CB -0.010 38.596 38.460 0.244 0.000 1.011 199 Y HN 0.285 8.565 8.280 -0.000 0.000 0.545 200 L N 1.079 122.335 121.223 0.056 0.000 2.042 200 L HA -0.161 4.180 4.340 0.001 0.000 0.210 200 L C 2.427 179.268 176.870 -0.049 0.000 1.076 200 L CA 2.170 57.005 54.840 -0.009 0.000 0.749 200 L CB -1.218 40.948 42.059 0.179 0.000 0.893 200 L HN 0.219 8.449 8.230 -0.000 0.000 0.432 201 A N -0.408 122.402 122.820 -0.018 0.000 2.032 201 A HA -0.204 4.117 4.320 0.001 0.000 0.221 201 A C 2.086 179.639 177.584 -0.053 0.000 1.165 201 A CA 1.622 53.642 52.037 -0.027 0.000 0.645 201 A CB -0.595 18.386 19.000 -0.031 0.000 0.807 201 A HN 0.556 8.706 8.150 -0.000 0.000 0.453 202 R N -0.589 119.851 120.500 -0.101 0.000 2.320 202 R HA 0.077 4.418 4.340 0.001 0.000 0.211 202 R C 1.129 177.317 176.300 -0.188 0.000 0.931 202 R CA 0.656 56.687 56.100 -0.114 0.000 1.071 202 R CB -0.107 30.156 30.300 -0.062 0.000 1.025 202 R HN 0.766 9.036 8.270 -0.000 0.000 0.495 203 Q N -0.180 119.497 119.800 -0.204 0.000 2.548 203 Q HA 0.039 4.379 4.340 0.001 0.000 0.230 203 Q C 1.751 177.704 176.000 -0.078 0.000 0.899 203 Q CA 0.630 56.326 55.803 -0.179 0.000 0.936 203 Q CB 0.519 29.110 28.738 -0.244 0.000 1.114 203 Q HN 0.203 8.473 8.270 -0.000 0.000 0.606 204 V N -2.586 117.307 119.914 -0.035 0.000 3.621 204 V HA 0.512 4.632 4.120 0.001 0.000 0.285 204 V C 0.649 176.811 176.094 0.114 0.000 1.346 204 V CA 0.310 62.650 62.300 0.068 0.000 1.104 204 V CB -0.268 31.601 31.823 0.077 0.000 0.913 204 V HN 0.363 8.553 8.190 -0.000 0.000 0.432 205 G N 0.492 109.305 108.800 0.021 0.000 2.758 205 G HA2 -0.182 3.778 3.960 0.001 0.000 0.686 205 G HA3 -0.182 3.778 3.960 0.001 0.000 0.686 205 G C 0.039 174.924 174.900 -0.025 0.000 1.389 205 G CA 0.206 45.295 45.100 -0.017 0.000 0.845 205 G HN 0.220 8.510 8.290 -0.000 0.000 0.572 206 Q N -0.116 119.654 119.800 -0.050 0.000 2.167 206 Q HA -0.061 4.280 4.340 0.001 0.000 0.202 206 Q C 2.674 178.644 176.000 -0.050 0.000 0.970 206 Q CA 1.659 57.436 55.803 -0.044 0.000 0.855 206 Q CB -0.122 28.594 28.738 -0.037 0.000 0.911 206 Q HN 0.676 8.946 8.270 -0.000 0.000 0.438 207 K N -0.119 120.212 120.400 -0.115 0.000 2.007 207 K HA -0.040 4.280 4.320 0.001 0.000 0.206 207 K C 2.148 178.722 176.600 -0.043 0.000 1.047 207 K CA 0.815 57.026 56.287 -0.127 0.000 0.937 207 K CB -0.379 31.962 32.500 -0.264 0.000 0.718 207 K HN 0.224 8.474 8.250 -0.000 0.000 0.438 208 F N 1.367 121.306 119.950 -0.017 0.000 2.134 208 F HA -0.226 4.301 4.527 0.001 0.000 0.299 208 F C 2.623 178.397 175.800 -0.043 0.000 1.097 208 F CA 0.627 58.604 58.000 -0.039 0.000 1.264 208 F CB -0.240 38.714 39.000 -0.076 0.000 1.001 208 F HN 0.077 8.377 8.300 -0.000 0.000 0.479 209 A N 0.424 123.329 122.820 0.142 0.000 1.902 209 A HA -0.182 4.139 4.320 0.001 0.000 0.217 209 A C 2.122 179.724 177.584 0.030 0.000 1.181 209 A CA 1.392 53.488 52.037 0.098 0.000 0.623 209 A CB -0.645 18.387 19.000 0.053 0.000 0.818 209 A HN 0.287 8.437 8.150 -0.000 0.000 0.443 210 R N -0.563 119.886 120.500 -0.086 0.000 2.091 210 R HA -0.164 4.176 4.340 0.001 0.000 0.238 210 R C 2.337 178.513 176.300 -0.207 0.000 1.136 210 R CA 1.531 57.411 56.100 -0.367 0.000 0.959 210 R CB -0.349 29.866 30.300 -0.140 0.000 0.856 210 R HN 0.803 9.073 8.270 -0.000 0.000 0.437 211 E N 1.135 121.390 120.200 0.092 0.000 2.038 211 E HA -0.234 4.117 4.350 0.001 0.000 0.195 211 E C 1.959 178.682 176.600 0.204 0.000 1.000 211 E CA 1.431 57.960 56.400 0.215 0.000 0.803 211 E CB -0.105 29.758 29.700 0.273 0.000 0.750 211 E HN 0.281 8.641 8.360 -0.000 0.000 0.448 212 I N 0.007 120.663 120.570 0.143 0.000 2.151 212 I HA -0.294 3.876 4.170 0.001 0.000 0.243 212 I C 2.127 178.263 176.117 0.031 0.000 1.080 212 I CA 1.363 62.719 61.300 0.093 0.000 1.339 212 I CB -0.241 37.738 38.000 -0.035 0.000 1.039 212 I HN 0.152 8.362 8.210 -0.000 0.000 0.409 213 F N -0.561 119.346 119.950 -0.071 0.000 2.219 213 F HA -0.037 4.491 4.527 0.001 0.000 0.294 213 F C 2.145 177.984 175.800 0.065 0.000 1.086 213 F CA 1.319 59.278 58.000 -0.068 0.000 1.330 213 F CB -0.507 38.376 39.000 -0.195 0.000 1.047 213 F HN -0.096 8.204 8.300 -0.000 0.000 0.495 214 F N -0.582 119.521 119.950 0.255 0.000 2.206 214 F HA -0.171 4.356 4.527 0.000 0.000 0.298 214 F C 1.974 177.846 175.800 0.121 0.000 1.090 214 F CA 0.482 58.580 58.000 0.165 0.000 1.323 214 F CB -0.126 38.950 39.000 0.127 0.000 1.028 214 F HN -0.118 8.182 8.300 -0.000 0.000 0.492 215 L N -0.935 120.467 121.223 0.297 0.000 2.408 215 L HA 0.243 4.583 4.340 0.001 0.000 0.215 215 L C 1.666 178.610 176.870 0.123 0.000 1.081 215 L CA 0.929 55.881 54.840 0.186 0.000 0.840 215 L CB -1.229 40.929 42.059 0.166 0.000 1.002 215 L HN 0.331 8.561 8.230 -0.000 0.000 0.468 216 G N 1.831 110.698 108.800 0.111 0.000 2.273 216 G HA2 -0.284 3.676 3.960 0.001 0.000 0.280 216 G HA3 -0.284 3.676 3.960 0.001 0.000 0.280 216 G C 0.435 175.352 174.900 0.029 0.000 1.047 216 G CA 0.147 45.273 45.100 0.044 0.000 0.869 216 G HN 0.290 8.580 8.290 -0.000 0.000 0.502 217 R N -0.512 119.995 120.500 0.012 0.000 2.726 217 R HA 0.415 4.756 4.340 0.001 0.000 0.272 217 R C 0.268 176.446 176.300 -0.203 0.000 1.097 217 R CA 0.150 56.160 56.100 -0.151 0.000 1.198 217 R CB 0.277 30.371 30.300 -0.343 0.000 1.114 217 R HN 0.198 8.468 8.270 -0.000 0.000 0.550 218 T N 1.966 116.390 114.554 -0.218 0.000 2.799 218 T HA 0.378 4.728 4.350 0.001 0.000 0.286 218 T C -0.790 173.725 174.700 -0.308 0.000 0.973 218 T CA -0.182 61.874 62.100 -0.073 0.000 1.035 218 T CB 0.304 69.226 68.868 0.090 0.000 0.932 218 T HN 0.254 8.494 8.240 -0.000 0.000 0.469 219 Y N 0.958 121.328 120.300 0.118 0.000 2.468 219 Y HA 0.498 5.048 4.550 0.001 0.000 0.342 219 Y C 1.232 177.209 175.900 0.129 0.000 1.021 219 Y CA -1.163 56.988 58.100 0.085 0.000 1.079 219 Y CB 1.376 39.862 38.460 0.044 0.000 1.226 219 Y HN 0.678 8.958 8.280 -0.000 0.000 0.460 220 T N -1.861 112.810 114.554 0.195 0.000 2.847 220 T HA 0.489 4.840 4.350 0.001 0.000 0.279 220 T C 1.295 176.107 174.700 0.187 0.000 0.984 220 T CA -0.183 61.991 62.100 0.124 0.000 0.988 220 T CB 1.300 70.184 68.868 0.026 0.000 1.040 220 T HN 0.794 9.034 8.240 -0.000 0.000 0.528 221 A N 0.310 123.228 122.820 0.164 0.000 1.883 221 A HA -0.109 4.211 4.320 0.001 0.000 0.217 221 A C 2.273 179.866 177.584 0.016 0.000 1.186 221 A CA 2.094 54.213 52.037 0.137 0.000 0.624 221 A CB -1.213 17.819 19.000 0.053 0.000 0.822 221 A HN 0.934 9.084 8.150 -0.000 0.000 0.444 222 E N -0.097 120.112 120.200 0.015 0.000 2.107 222 E HA -0.146 4.204 4.350 0.001 0.000 0.191 222 E C 2.147 178.756 176.600 0.015 0.000 0.982 222 E CA 1.528 57.948 56.400 0.034 0.000 0.809 222 E CB -0.373 29.337 29.700 0.016 0.000 0.756 222 E HN 0.709 9.069 8.360 -0.000 0.000 0.459 223 Q N -0.874 118.920 119.800 -0.010 0.000 2.061 223 Q HA -0.142 4.198 4.340 0.001 0.000 0.204 223 Q C 1.995 177.888 176.000 -0.179 0.000 0.984 223 Q CA 1.585 57.355 55.803 -0.055 0.000 0.846 223 Q CB -0.140 28.633 28.738 0.057 0.000 0.902 223 Q HN 0.318 8.588 8.270 -0.000 0.000 0.421 224 M N -0.530 118.931 119.600 -0.233 0.000 2.229 224 M HA -0.144 4.337 4.480 0.001 0.000 0.264 224 M C 1.912 178.066 176.300 -0.243 0.000 1.063 224 M CA 1.503 56.565 55.300 -0.397 0.000 1.114 224 M CB -0.895 31.224 32.600 -0.801 0.000 1.387 224 M HN 0.274 8.564 8.290 -0.000 0.000 0.420 225 H N 0.621 119.550 119.070 -0.234 0.000 2.357 225 H HA -0.088 4.468 4.556 0.001 0.000 0.301 225 H C 1.927 177.177 175.328 -0.130 0.000 1.082 225 H CA 1.793 57.749 56.048 -0.154 0.000 1.342 225 H CB 0.149 29.848 29.762 -0.105 0.000 1.389 225 H HN 0.257 8.537 8.280 -0.000 0.000 0.511 226 Q N -0.153 119.507 119.800 -0.233 0.000 2.124 226 Q HA -0.122 4.218 4.340 0.001 0.000 0.202 226 Q C 2.456 178.301 176.000 -0.257 0.000 0.977 226 Q CA 1.458 57.101 55.803 -0.266 0.000 0.850 226 Q CB -0.190 28.444 28.738 -0.174 0.000 0.901 226 Q HN 0.594 8.864 8.270 -0.000 0.000 0.429 227 M N -1.596 117.808 119.600 -0.327 0.000 2.254 227 M HA -0.030 4.451 4.480 0.001 0.000 0.265 227 M C 1.107 177.317 176.300 -0.149 0.000 1.066 227 M CA 1.406 56.483 55.300 -0.371 0.000 1.123 227 M CB 0.192 32.417 32.600 -0.626 0.000 1.388 227 M HN 0.435 8.725 8.290 -0.000 0.000 0.425 228 G N -1.076 107.626 108.800 -0.163 0.000 2.205 228 G HA2 -0.116 3.845 3.960 0.001 0.000 0.180 228 G HA3 -0.116 3.845 3.960 0.001 0.000 0.180 228 G C 0.698 175.542 174.900 -0.094 0.000 1.004 228 G CA 0.127 45.165 45.100 -0.104 0.000 0.670 228 G HN 0.495 8.785 8.290 -0.000 0.000 0.496 229 A N -0.543 122.203 122.820 -0.124 0.000 2.169 229 A HA 0.715 5.036 4.320 0.001 0.000 0.210 229 A C 0.847 178.414 177.584 -0.028 0.000 1.168 229 A CA 1.152 53.133 52.037 -0.094 0.000 0.813 229 A CB 0.529 19.465 19.000 -0.107 0.000 0.861 229 A HN 0.946 9.096 8.150 -0.000 0.000 0.481 230 V N 1.156 121.031 119.914 -0.065 0.000 2.448 230 V HA 0.147 4.268 4.120 0.001 0.000 0.295 230 V C 0.429 176.583 176.094 0.101 0.000 1.025 230 V CA -0.521 61.761 62.300 -0.030 0.000 0.859 230 V CB 1.299 33.043 31.823 -0.131 0.000 0.988 230 V HN 0.511 8.701 8.190 -0.000 0.000 0.431 231 N N 2.829 121.556 118.700 0.044 0.000 2.106 231 N HA 0.164 4.904 4.740 0.001 0.000 0.188 231 N C 0.373 175.926 175.510 0.071 0.000 1.029 231 N CA 1.382 54.516 53.050 0.140 0.000 0.848 231 N CB 0.061 38.662 38.487 0.189 0.000 1.007 231 N HN 0.830 9.210 8.380 -0.000 0.000 0.423 232 A N -0.857 121.821 122.820 -0.236 0.000 2.610 232 A HA 0.621 4.941 4.320 0.001 0.000 0.291 232 A C -1.549 175.782 177.584 -0.421 0.000 1.086 232 A CA -0.679 51.103 52.037 -0.425 0.000 0.677 232 A CB 1.017 19.929 19.000 -0.147 0.000 1.278 232 A HN -0.134 8.016 8.150 -0.000 0.000 0.414 233 V N 0.350 120.024 119.914 -0.400 0.000 2.483 233 V HA 0.800 4.920 4.120 0.001 0.000 0.295 233 V C 0.463 176.440 176.094 -0.194 0.000 1.035 233 V CA 0.056 62.200 62.300 -0.261 0.000 0.896 233 V CB 1.190 32.882 31.823 -0.218 0.000 0.986 233 V HN 1.599 9.789 8.190 -0.000 0.000 0.447 234 A N 2.869 125.587 122.820 -0.170 0.000 2.413 234 A HA 0.782 5.102 4.320 0.001 0.000 0.307 234 A C -0.365 177.157 177.584 -0.103 0.000 1.087 234 A CA -0.772 51.184 52.037 -0.134 0.000 0.750 234 A CB 1.050 19.956 19.000 -0.157 0.000 1.296 234 A HN 0.719 8.869 8.150 -0.000 0.000 0.423 235 E N 1.380 121.534 120.200 -0.077 0.000 2.465 235 E HA -0.075 4.276 4.350 0.001 0.000 0.260 235 E C 0.925 177.498 176.600 -0.046 0.000 0.980 235 E CA 0.156 56.525 56.400 -0.052 0.000 0.927 235 E CB 0.229 29.908 29.700 -0.035 0.000 0.934 235 E HN 0.826 9.186 8.360 -0.000 0.000 0.459 236 H N 3.129 122.118 119.070 -0.134 0.000 2.297 236 H HA -0.273 4.283 4.556 0.001 0.000 0.289 236 H C 1.526 176.765 175.328 -0.147 0.000 1.105 236 H CA 2.326 58.277 56.048 -0.162 0.000 1.219 236 H CB 0.355 30.033 29.762 -0.139 0.000 1.351 236 H HN 0.577 8.857 8.280 -0.000 0.000 0.481 237 A N 0.399 123.190 122.820 -0.049 0.000 2.119 237 A HA -0.092 4.229 4.320 0.001 0.000 0.217 237 A C 1.935 179.471 177.584 -0.081 0.000 1.153 237 A CA 1.244 53.242 52.037 -0.064 0.000 0.692 237 A CB -0.117 18.898 19.000 0.025 0.000 0.799 237 A HN 0.607 8.757 8.150 -0.000 0.000 0.458 238 E N -0.927 119.223 120.200 -0.084 0.000 2.481 238 E HA 0.100 4.450 4.350 0.001 0.000 0.198 238 E C 1.377 177.922 176.600 -0.092 0.000 1.027 238 E CA -0.307 56.053 56.400 -0.065 0.000 0.900 238 E CB 0.121 29.793 29.700 -0.047 0.000 0.993 238 E HN 0.461 8.821 8.360 -0.000 0.000 0.482 239 L N 1.615 122.746 121.223 -0.153 0.000 2.012 239 L HA -0.200 4.141 4.340 0.001 0.000 0.210 239 L C 1.789 178.589 176.870 -0.117 0.000 1.073 239 L CA 1.993 56.728 54.840 -0.175 0.000 0.748 239 L CB -0.058 41.848 42.059 -0.255 0.000 0.891 239 L HN 0.042 8.272 8.230 -0.000 0.000 0.431 240 E N -1.573 118.593 120.200 -0.057 0.000 2.216 240 E HA -0.126 4.224 4.350 0.001 0.000 0.192 240 E C 1.880 178.527 176.600 0.078 0.000 0.988 240 E CA 1.277 57.707 56.400 0.050 0.000 0.834 240 E CB -0.115 29.671 29.700 0.143 0.000 0.772 240 E HN 0.539 8.899 8.360 -0.000 0.000 0.479 241 T N 0.981 115.555 114.554 0.033 0.000 2.746 241 T HA -0.125 4.226 4.350 0.001 0.000 0.267 241 T C 2.151 176.865 174.700 0.022 0.000 1.039 241 T CA 1.095 63.211 62.100 0.026 0.000 1.142 241 T CB -0.172 68.700 68.868 0.006 0.000 0.866 241 T HN -0.012 8.228 8.240 -0.000 0.000 0.444 242 V N 1.527 121.433 119.914 -0.013 0.000 2.358 242 V HA -0.062 4.059 4.120 0.001 0.000 0.246 242 V C 2.927 179.008 176.094 -0.020 0.000 1.047 242 V CA 1.833 64.126 62.300 -0.011 0.000 1.035 242 V CB -1.517 30.240 31.823 -0.110 0.000 0.658 242 V HN 0.580 8.770 8.190 -0.000 0.000 0.452 243 G N 0.100 108.850 108.800 -0.083 0.000 2.476 243 G HA2 -0.268 3.692 3.960 0.001 0.000 0.218 243 G HA3 -0.268 3.692 3.960 0.001 0.000 0.218 243 G C 1.620 176.577 174.900 0.094 0.000 1.164 243 G CA 1.266 46.346 45.100 -0.034 0.000 0.768 243 G HN 0.467 8.757 8.290 -0.000 0.000 0.560 244 L N -0.212 121.061 121.223 0.083 0.000 2.093 244 L HA -0.076 4.264 4.340 0.001 0.000 0.208 244 L C 2.945 179.831 176.870 0.028 0.000 1.085 244 L CA 1.436 56.289 54.840 0.021 0.000 0.755 244 L CB -0.335 41.678 42.059 -0.077 0.000 0.904 244 L HN 0.287 8.517 8.230 -0.000 0.000 0.435 245 Q N -0.446 119.406 119.800 0.086 0.000 2.084 245 Q HA -0.236 4.104 4.340 0.001 0.000 0.202 245 Q C 1.942 178.046 176.000 0.173 0.000 0.978 245 Q CA 2.016 57.885 55.803 0.110 0.000 0.844 245 Q CB -0.345 28.475 28.738 0.137 0.000 0.898 245 Q HN 0.376 8.646 8.270 -0.000 0.000 0.426 246 W N 0.148 121.428 121.300 -0.032 0.000 2.358 246 W HA 0.028 4.689 4.660 0.000 0.000 0.303 246 W C 2.439 178.943 176.519 -0.024 0.000 1.208 246 W CA 1.486 58.816 57.345 -0.025 0.000 1.274 246 W CB -1.009 28.438 29.460 -0.020 0.000 1.138 246 W HN 0.324 8.504 8.180 -0.000 0.000 0.515 247 A N 0.236 123.181 122.820 0.208 0.000 1.883 247 A HA -0.088 4.232 4.320 0.001 0.000 0.217 247 A C 2.146 179.751 177.584 0.034 0.000 1.186 247 A CA 2.771 54.870 52.037 0.103 0.000 0.624 247 A CB -1.344 17.702 19.000 0.077 0.000 0.822 247 A HN 0.169 8.319 8.150 -0.000 0.000 0.444 248 A N -0.181 122.641 122.820 0.004 0.000 1.908 248 A HA -0.209 4.111 4.320 0.001 0.000 0.218 248 A C 1.920 179.486 177.584 -0.029 0.000 1.181 248 A CA 1.750 53.769 52.037 -0.031 0.000 0.627 248 A CB -0.587 18.385 19.000 -0.046 0.000 0.818 248 A HN 0.665 8.815 8.150 -0.000 0.000 0.445 249 E N -0.464 119.714 120.200 -0.037 0.000 2.106 249 E HA -0.137 4.214 4.350 0.001 0.000 0.192 249 E C 1.884 178.450 176.600 -0.057 0.000 0.984 249 E CA 1.144 57.501 56.400 -0.072 0.000 0.806 249 E CB -0.287 29.328 29.700 -0.141 0.000 0.750 249 E HN 0.712 9.072 8.360 -0.000 0.000 0.458 250 I N 1.673 122.224 120.570 -0.033 0.000 2.179 250 I HA -0.246 3.924 4.170 0.001 0.000 0.242 250 I C 1.959 178.069 176.117 -0.011 0.000 1.088 250 I CA 0.795 62.087 61.300 -0.015 0.000 1.357 250 I CB -0.205 37.807 38.000 0.020 0.000 1.051 250 I HN 0.064 8.274 8.210 -0.000 0.000 0.409 251 N N 0.909 119.605 118.700 -0.007 0.000 2.459 251 N HA -0.037 4.703 4.740 0.001 0.000 0.181 251 N C 1.529 177.030 175.510 -0.015 0.000 1.046 251 N CA 1.074 54.120 53.050 -0.008 0.000 0.904 251 N CB 0.001 38.484 38.487 -0.007 0.000 0.964 251 N HN 0.316 8.696 8.380 -0.000 0.000 0.444 252 A N 0.418 123.225 122.820 -0.022 0.000 2.251 252 A HA 0.042 4.362 4.320 0.001 0.000 0.209 252 A C 0.817 178.388 177.584 -0.023 0.000 1.187 252 A CA 0.331 52.354 52.037 -0.024 0.000 0.823 252 A CB 0.160 19.142 19.000 -0.030 0.000 0.846 252 A HN 0.063 8.213 8.150 -0.000 0.000 0.486 253 K N 0.004 120.391 120.400 -0.021 0.000 2.168 253 K HA 0.370 4.690 4.320 0.001 0.000 0.239 253 K C 0.021 176.611 176.600 -0.015 0.000 0.999 253 K CA -0.453 55.822 56.287 -0.019 0.000 0.900 253 K CB 1.095 33.584 32.500 -0.019 0.000 1.111 253 K HN 0.109 8.358 8.250 -0.000 0.000 0.452 254 S N 1.794 117.485 115.700 -0.015 0.000 2.571 254 S HA 0.038 4.508 4.470 0.001 0.000 0.297 254 S C -1.729 172.861 174.600 -0.017 0.000 1.234 254 S CA -1.112 57.079 58.200 -0.015 0.000 1.120 254 S CB 0.134 63.325 63.200 -0.015 0.000 0.923 254 S HN 0.263 8.573 8.310 -0.000 0.000 0.504 255 P HA -0.176 4.244 4.420 -0.000 0.000 0.216 255 P C 1.501 178.782 177.300 -0.031 0.000 1.150 255 P CA 1.091 64.178 63.100 -0.021 0.000 0.843 255 P CB 0.046 31.737 31.700 -0.015 0.000 0.787 256 Q N -0.232 119.552 119.800 -0.027 0.000 2.084 256 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 256 Q C 2.018 177.995 176.000 -0.037 0.000 0.978 256 Q CA 1.925 57.708 55.803 -0.033 0.000 0.844 256 Q CB -0.699 28.023 28.738 -0.027 0.000 0.898 256 Q HN 0.105 8.375 8.270 -0.000 0.000 0.426 257 A N 0.713 123.517 122.820 -0.027 0.000 1.902 257 A HA -0.214 4.107 4.320 0.001 0.000 0.217 257 A C 2.072 179.645 177.584 -0.017 0.000 1.181 257 A CA 1.508 53.534 52.037 -0.018 0.000 0.623 257 A CB -0.492 18.501 19.000 -0.012 0.000 0.818 257 A HN 0.477 8.627 8.150 -0.000 0.000 0.443 258 Q N -0.532 119.252 119.800 -0.025 0.000 2.079 258 Q HA -0.128 4.212 4.340 0.001 0.000 0.200 258 Q C 2.261 178.212 176.000 -0.082 0.000 0.974 258 Q CA 1.246 57.034 55.803 -0.025 0.000 0.840 258 Q CB -0.415 28.310 28.738 -0.021 0.000 0.898 258 Q HN 0.673 8.943 8.270 -0.000 0.000 0.430 259 R N -0.062 120.357 120.500 -0.135 0.000 2.115 259 R HA -0.155 4.185 4.340 0.001 0.000 0.239 259 R C 2.318 178.447 176.300 -0.285 0.000 1.133 259 R CA 1.736 57.668 56.100 -0.281 0.000 0.935 259 R CB -0.149 30.052 30.300 -0.165 0.000 0.853 259 R HN 0.207 8.477 8.270 -0.000 0.000 0.433 260 M N 0.397 119.945 119.600 -0.086 0.000 2.082 260 M HA -0.190 4.291 4.480 0.001 0.000 0.258 260 M C 2.352 178.754 176.300 0.170 0.000 1.069 260 M CA 1.605 56.932 55.300 0.045 0.000 1.102 260 M CB -1.056 31.557 32.600 0.022 0.000 1.336 260 M HN 0.193 8.483 8.290 -0.000 0.000 0.404 261 L N -0.485 120.771 121.223 0.054 0.000 2.017 261 L HA -0.247 4.093 4.340 0.001 0.000 0.208 261 L C 2.612 179.544 176.870 0.103 0.000 1.073 261 L CA 1.422 56.276 54.840 0.023 0.000 0.745 261 L CB -0.678 41.420 42.059 0.064 0.000 0.894 261 L HN 0.329 8.559 8.230 -0.000 0.000 0.432 262 K N 0.309 120.764 120.400 0.090 0.000 2.032 262 K HA -0.206 4.114 4.320 0.001 0.000 0.209 262 K C 2.127 178.874 176.600 0.245 0.000 1.048 262 K CA 1.784 58.153 56.287 0.138 0.000 0.927 262 K CB -0.265 32.164 32.500 -0.117 0.000 0.712 262 K HN 0.181 8.431 8.250 -0.000 0.000 0.441 263 F N 0.405 120.502 119.950 0.245 0.000 2.234 263 F HA -0.123 4.405 4.527 0.001 0.000 0.299 263 F C 2.453 178.388 175.800 0.225 0.000 1.087 263 F CA 0.173 58.344 58.000 0.285 0.000 1.340 263 F CB -0.120 39.075 39.000 0.324 0.000 1.031 263 F HN 0.190 8.490 8.300 -0.000 0.000 0.500 264 A N 0.277 123.256 122.820 0.265 0.000 1.930 264 A HA -0.137 4.184 4.320 0.001 0.000 0.217 264 A C 1.905 179.379 177.584 -0.185 0.000 1.175 264 A CA 1.106 53.000 52.037 -0.239 0.000 0.627 264 A CB -1.212 17.589 19.000 -0.331 0.000 0.815 264 A HN 0.362 8.512 8.150 -0.000 0.000 0.443 265 F N 0.447 120.448 119.950 0.085 0.000 2.171 265 F HA -0.181 4.346 4.527 0.001 0.000 0.300 265 F C 2.268 178.150 175.800 0.137 0.000 1.090 265 F CA 1.231 59.291 58.000 0.100 0.000 1.293 265 F CB -0.193 38.877 39.000 0.116 0.000 1.013 265 F HN 0.205 8.505 8.300 -0.000 0.000 0.486 266 N N 0.371 119.279 118.700 0.348 0.000 2.270 266 N HA -0.096 4.645 4.740 0.001 0.000 0.181 266 N C 1.920 177.547 175.510 0.196 0.000 1.016 266 N CA 0.451 53.676 53.050 0.291 0.000 0.870 266 N CB -0.531 38.171 38.487 0.358 0.000 0.979 266 N HN 0.262 8.642 8.380 -0.000 0.000 0.431 267 L N 0.688 121.984 121.223 0.121 0.000 1.941 267 L HA -0.231 4.110 4.340 0.001 0.000 0.224 267 L C 1.944 178.834 176.870 0.034 0.000 1.081 267 L CA 1.523 56.384 54.840 0.034 0.000 0.784 267 L CB -0.417 41.563 42.059 -0.130 0.000 0.894 267 L HN 0.141 8.371 8.230 -0.000 0.000 0.436 268 L N -0.612 120.620 121.223 0.016 0.000 2.046 268 L HA -0.254 4.087 4.340 0.001 0.000 0.208 268 L C 2.314 179.216 176.870 0.053 0.000 1.077 268 L CA 1.277 56.129 54.840 0.020 0.000 0.747 268 L CB -0.776 41.288 42.059 0.008 0.000 0.896 268 L HN 0.380 8.610 8.230 -0.000 0.000 0.432 269 D N 0.158 120.614 120.400 0.093 0.000 2.172 269 D HA -0.201 4.440 4.640 0.001 0.000 0.196 269 D C 1.309 177.666 176.300 0.095 0.000 0.999 269 D CA 1.359 55.427 54.000 0.113 0.000 0.856 269 D CB -0.158 40.758 40.800 0.193 0.000 0.934 269 D HN 0.324 8.694 8.370 -0.000 0.000 0.453 270 D N -0.605 119.863 120.400 0.113 0.000 2.340 270 D HA 0.221 4.861 4.640 0.001 0.000 0.217 270 D C 1.450 177.789 176.300 0.066 0.000 1.081 270 D CA 0.573 54.648 54.000 0.124 0.000 0.842 270 D CB 0.481 41.400 40.800 0.198 0.000 0.934 270 D HN 0.189 8.559 8.370 -0.000 0.000 0.511 271 G N 1.356 110.181 108.800 0.040 0.000 2.596 271 G HA2 -0.370 3.591 3.960 0.001 0.000 0.295 271 G HA3 -0.370 3.591 3.960 0.001 0.000 0.295 271 G C 1.073 175.975 174.900 0.003 0.000 1.240 271 G CA 0.210 45.321 45.100 0.018 0.000 0.985 271 G HN 0.329 8.619 8.290 -0.000 0.000 0.555 272 L N 0.383 121.602 121.223 -0.007 0.000 2.191 272 L HA -0.090 4.250 4.340 0.001 0.000 0.212 272 L C 3.142 179.979 176.870 -0.055 0.000 1.103 272 L CA 1.368 56.194 54.840 -0.024 0.000 0.769 272 L CB -0.629 41.417 42.059 -0.022 0.000 0.908 272 L HN 0.417 8.647 8.230 -0.000 0.000 0.438 273 V N -0.127 119.750 119.914 -0.062 0.000 2.358 273 V HA -0.174 3.947 4.120 0.001 0.000 0.246 273 V C 2.638 178.625 176.094 -0.179 0.000 1.047 273 V CA 1.889 64.094 62.300 -0.157 0.000 1.035 273 V CB -1.277 30.461 31.823 -0.141 0.000 0.658 273 V HN 0.548 8.738 8.190 -0.000 0.000 0.452 274 G N -0.831 107.935 108.800 -0.057 0.000 2.459 274 G HA2 -0.371 3.589 3.960 0.001 0.000 0.217 274 G HA3 -0.371 3.589 3.960 0.001 0.000 0.217 274 G C 1.552 176.442 174.900 -0.016 0.000 1.183 274 G CA 1.178 46.272 45.100 -0.010 0.000 0.776 274 G HN 0.539 8.829 8.290 -0.000 0.000 0.552 275 Q N -0.415 119.378 119.800 -0.012 0.000 2.050 275 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 275 Q C 2.557 178.551 176.000 -0.010 0.000 0.980 275 Q CA 1.703 57.518 55.803 0.020 0.000 0.840 275 Q CB -0.306 28.437 28.738 0.008 0.000 0.898 275 Q HN 0.636 8.906 8.270 -0.000 0.000 0.424 276 Q N 0.019 119.769 119.800 -0.083 0.000 2.096 276 Q HA -0.231 4.109 4.340 0.001 0.000 0.208 276 Q C 2.099 177.982 176.000 -0.196 0.000 0.993 276 Q CA 1.937 57.661 55.803 -0.132 0.000 0.862 276 Q CB -0.144 28.491 28.738 -0.172 0.000 0.915 276 Q HN 0.501 8.771 8.270 -0.000 0.000 0.416 277 L N -0.682 120.352 121.223 -0.317 0.000 2.072 277 L HA -0.130 4.210 4.340 0.001 0.000 0.205 277 L C 2.346 178.970 176.870 -0.411 0.000 1.079 277 L CA 0.892 55.389 54.840 -0.573 0.000 0.752 277 L CB -0.460 40.969 42.059 -1.049 0.000 0.906 277 L HN 0.223 8.453 8.230 -0.000 0.000 0.436 278 F N 0.733 120.532 119.950 -0.252 0.000 2.102 278 F HA -0.241 4.287 4.527 0.000 0.000 0.298 278 F C 2.430 178.222 175.800 -0.014 0.000 1.105 278 F CA 1.382 59.376 58.000 -0.010 0.000 1.239 278 F CB -0.258 38.764 39.000 0.036 0.000 0.991 278 F HN 0.003 8.303 8.300 -0.000 0.000 0.474 279 A N 0.024 122.866 122.820 0.036 0.000 1.969 279 A HA -0.007 4.313 4.320 0.001 0.000 0.218 279 A C 2.471 179.998 177.584 -0.095 0.000 1.169 279 A CA 1.426 53.444 52.037 -0.031 0.000 0.635 279 A CB -1.775 17.238 19.000 0.023 0.000 0.810 279 A HN 0.498 8.648 8.150 -0.000 0.000 0.445 280 G N -0.381 108.353 108.800 -0.109 0.000 2.442 280 G HA2 -0.226 3.734 3.960 0.001 0.000 0.219 280 G HA3 -0.226 3.734 3.960 0.001 0.000 0.219 280 G C 1.384 176.235 174.900 -0.082 0.000 1.141 280 G CA 1.057 46.099 45.100 -0.096 0.000 0.763 280 G HN 0.471 8.761 8.290 -0.000 0.000 0.554 281 E N 0.704 120.837 120.200 -0.112 0.000 2.152 281 E HA 0.048 4.399 4.350 0.001 0.000 0.192 281 E C 2.872 179.382 176.600 -0.150 0.000 0.983 281 E CA 0.829 57.173 56.400 -0.093 0.000 0.818 281 E CB -0.412 29.253 29.700 -0.059 0.000 0.758 281 E HN 0.370 8.730 8.360 -0.000 0.000 0.467 282 A N 0.755 123.439 122.820 -0.227 0.000 1.902 282 A HA -0.149 4.171 4.320 0.001 0.000 0.217 282 A C 2.443 179.984 177.584 -0.072 0.000 1.181 282 A CA 1.963 53.897 52.037 -0.172 0.000 0.623 282 A CB -0.883 18.015 19.000 -0.170 0.000 0.818 282 A HN 0.215 8.365 8.150 -0.000 0.000 0.443 283 T N -0.699 113.832 114.554 -0.038 0.000 2.684 283 T HA -0.183 4.168 4.350 0.001 0.000 0.267 283 T C 2.091 176.875 174.700 0.140 0.000 1.036 283 T CA 1.515 63.641 62.100 0.042 0.000 1.148 283 T CB -0.276 68.628 68.868 0.060 0.000 0.863 283 T HN 0.502 8.742 8.240 -0.000 0.000 0.436 284 R N 0.514 121.062 120.500 0.079 0.000 2.096 284 R HA -0.083 4.258 4.340 0.001 0.000 0.240 284 R C 2.441 178.787 176.300 0.077 0.000 1.139 284 R CA 1.377 57.521 56.100 0.074 0.000 0.952 284 R CB -0.548 29.753 30.300 0.001 0.000 0.854 284 R HN 0.399 8.669 8.270 -0.000 0.000 0.436 285 L N -0.047 121.185 121.223 0.015 0.000 2.046 285 L HA -0.164 4.176 4.340 0.001 0.000 0.208 285 L C 2.734 179.607 176.870 0.005 0.000 1.077 285 L CA 1.354 56.191 54.840 -0.004 0.000 0.747 285 L CB -0.604 41.426 42.059 -0.048 0.000 0.896 285 L HN 0.302 8.532 8.230 -0.000 0.000 0.432 286 A N -0.807 122.010 122.820 -0.005 0.000 1.933 286 A HA -0.253 4.067 4.320 0.001 0.000 0.218 286 A C 2.087 179.640 177.584 -0.051 0.000 1.175 286 A CA 1.347 53.352 52.037 -0.053 0.000 0.628 286 A CB -0.899 18.043 19.000 -0.097 0.000 0.814 286 A HN 0.373 8.523 8.150 -0.000 0.000 0.444 287 Y N -0.458 119.816 120.300 -0.044 0.000 2.241 287 Y HA -0.225 4.326 4.550 0.001 0.000 0.286 287 Y C 2.475 178.363 175.900 -0.021 0.000 1.166 287 Y CA 2.029 60.112 58.100 -0.028 0.000 1.203 287 Y CB -0.276 38.170 38.460 -0.023 0.000 0.977 287 Y HN 0.264 8.544 8.280 -0.000 0.000 0.529 288 M N -0.539 119.138 119.600 0.129 0.000 2.492 288 M HA -0.047 4.434 4.480 0.001 0.000 0.262 288 M C 0.960 177.282 176.300 0.036 0.000 1.090 288 M CA 0.731 56.077 55.300 0.076 0.000 1.110 288 M CB -0.333 32.297 32.600 0.050 0.000 1.407 288 M HN 0.133 8.423 8.290 -0.000 0.000 0.470 289 T N -2.241 112.312 114.554 -0.002 0.000 2.828 289 T HA 0.057 4.407 4.350 0.001 0.000 0.290 289 T C 0.747 175.423 174.700 -0.040 0.000 1.019 289 T CA -0.693 61.389 62.100 -0.029 0.000 1.031 289 T CB 1.021 69.844 68.868 -0.074 0.000 1.001 289 T HN 0.088 8.328 8.240 -0.000 0.000 0.531 290 D N 0.172 120.562 120.400 -0.016 0.000 2.117 290 D HA -0.113 4.527 4.640 0.001 0.000 0.198 290 D C 1.829 178.023 176.300 -0.177 0.000 0.982 290 D CA 1.317 55.341 54.000 0.040 0.000 0.828 290 D CB -0.167 40.792 40.800 0.265 0.000 0.967 290 D HN 0.887 9.257 8.370 -0.000 0.000 0.464 291 E N 0.782 120.549 120.200 -0.721 0.000 2.086 291 E HA -0.222 4.128 4.350 0.001 0.000 0.200 291 E C 1.936 178.398 176.600 -0.231 0.000 1.012 291 E CA 1.405 57.159 56.400 -1.077 0.000 0.812 291 E CB 0.009 29.105 29.700 -1.007 0.000 0.743 291 E HN 0.175 8.535 8.360 -0.000 0.000 0.453 292 A N 0.102 122.814 122.820 -0.179 0.000 2.014 292 A HA -0.061 4.259 4.320 0.001 0.000 0.218 292 A C 2.307 179.869 177.584 -0.036 0.000 1.163 292 A CA 1.026 52.994 52.037 -0.115 0.000 0.652 292 A CB -0.224 18.637 19.000 -0.231 0.000 0.808 292 A HN 0.221 8.371 8.150 -0.000 0.000 0.449 293 V N -0.081 119.829 119.914 -0.006 0.000 2.307 293 V HA -0.193 3.927 4.120 0.001 0.000 0.245 293 V C 2.599 178.728 176.094 0.059 0.000 1.045 293 V CA 1.989 64.316 62.300 0.046 0.000 1.024 293 V CB -0.628 31.232 31.823 0.062 0.000 0.651 293 V HN 0.525 8.715 8.190 -0.000 0.000 0.449 294 E N 0.781 121.025 120.200 0.072 0.000 2.097 294 E HA -0.215 4.135 4.350 0.001 0.000 0.196 294 E C 2.318 178.894 176.600 -0.039 0.000 1.000 294 E CA 1.730 58.152 56.400 0.036 0.000 0.804 294 E CB -0.639 29.128 29.700 0.111 0.000 0.740 294 E HN 0.587 8.947 8.360 -0.000 0.000 0.454 295 G N 0.442 109.284 108.800 0.070 0.000 2.422 295 G HA2 -0.267 3.694 3.960 0.001 0.000 0.218 295 G HA3 -0.267 3.694 3.960 0.001 0.000 0.218 295 G C 1.842 176.818 174.900 0.125 0.000 1.146 295 G CA 0.702 45.907 45.100 0.175 0.000 0.769 295 G HN 0.200 8.490 8.290 -0.000 0.000 0.547 296 R N -0.120 120.439 120.500 0.099 0.000 2.073 296 R HA -0.017 4.323 4.340 0.001 0.000 0.229 296 R C 2.166 178.554 176.300 0.148 0.000 1.120 296 R CA 1.278 57.457 56.100 0.132 0.000 0.967 296 R CB -0.082 30.287 30.300 0.114 0.000 0.862 296 R HN 0.212 8.482 8.270 -0.000 0.000 0.436 297 D N 0.322 120.774 120.400 0.087 0.000 2.084 297 D HA -0.126 4.514 4.640 0.001 0.000 0.194 297 D C 1.727 178.054 176.300 0.044 0.000 0.990 297 D CA 1.615 55.649 54.000 0.056 0.000 0.826 297 D CB -0.383 40.435 40.800 0.031 0.000 0.971 297 D HN 0.237 8.607 8.370 -0.000 0.000 0.453 298 A N 0.180 123.014 122.820 0.024 0.000 1.986 298 A HA -0.206 4.114 4.320 0.001 0.000 0.220 298 A C 2.073 179.704 177.584 0.079 0.000 1.171 298 A CA 1.175 53.216 52.037 0.007 0.000 0.640 298 A CB -0.913 18.050 19.000 -0.062 0.000 0.811 298 A HN 0.285 8.435 8.150 -0.000 0.000 0.451 299 F N 0.301 120.249 119.950 -0.004 0.000 2.128 299 F HA -0.021 4.506 4.527 0.000 0.000 0.295 299 F C 1.814 177.620 175.800 0.011 0.000 1.100 299 F CA 1.532 59.540 58.000 0.013 0.000 1.260 299 F CB -0.336 38.682 39.000 0.030 0.000 1.009 299 F HN 0.131 8.431 8.300 -0.000 0.000 0.476 300 L N -0.048 121.113 121.223 -0.103 0.000 2.093 300 L HA -0.178 4.163 4.340 0.001 0.000 0.208 300 L C 2.150 178.920 176.870 -0.166 0.000 1.085 300 L CA 1.314 56.037 54.840 -0.195 0.000 0.755 300 L CB -0.806 41.235 42.059 -0.030 0.000 0.904 300 L HN 0.156 8.386 8.230 -0.000 0.000 0.435 301 Q N 0.001 119.746 119.800 -0.092 0.000 2.444 301 Q HA -0.066 4.274 4.340 0.001 0.000 0.206 301 Q C 0.353 176.302 176.000 -0.084 0.000 0.948 301 Q CA 0.020 55.779 55.803 -0.073 0.000 0.946 301 Q CB 0.193 28.906 28.738 -0.042 0.000 1.027 301 Q HN 0.218 8.488 8.270 -0.000 0.000 0.513 302 K N 0.157 120.484 120.400 -0.121 0.000 3.274 302 K HA -0.250 4.070 4.320 0.001 0.000 0.305 302 K C -0.169 176.403 176.600 -0.046 0.000 1.225 302 K CA 1.144 57.370 56.287 -0.101 0.000 0.904 302 K CB -1.047 31.390 32.500 -0.104 0.000 1.227 302 K HN 0.409 8.659 8.250 -0.000 0.000 0.453 303 R N -0.243 120.234 120.500 -0.038 0.000 2.553 303 R HA 0.533 4.873 4.340 0.001 0.000 0.263 303 R C -2.590 173.694 176.300 -0.027 0.000 1.066 303 R CA -1.868 54.212 56.100 -0.034 0.000 1.135 303 R CB 0.273 30.545 30.300 -0.045 0.000 1.148 303 R HN -0.243 8.027 8.270 -0.000 0.000 0.558 304 P HA 0.235 4.655 4.420 -0.000 0.000 0.279 304 P C -2.457 174.762 177.300 -0.136 0.000 1.239 304 P CA -1.515 61.556 63.100 -0.049 0.000 0.789 304 P CB 0.410 32.090 31.700 -0.033 0.000 0.933 305 P HA 0.171 4.591 4.420 -0.000 0.000 0.275 305 P C -0.884 176.024 177.300 -0.654 0.000 1.228 305 P CA 0.100 62.876 63.100 -0.541 0.000 0.786 305 P CB 0.510 31.687 31.700 -0.871 0.000 0.927 306 D N 1.263 121.300 120.400 -0.605 0.000 2.414 306 D HA 0.288 4.928 4.640 0.001 0.000 0.232 306 D C -0.367 175.751 176.300 -0.302 0.000 1.070 306 D CA -0.409 53.359 54.000 -0.387 0.000 0.839 306 D CB 0.351 41.027 40.800 -0.205 0.000 1.079 306 D HN 0.305 8.675 8.370 -0.000 0.000 0.521 307 W N 2.383 123.749 121.300 0.110 0.000 3.239 307 W HA 0.119 4.779 4.660 0.000 0.000 0.348 307 W C 1.908 178.462 176.519 0.059 0.000 1.183 307 W CA -0.406 57.068 57.345 0.215 0.000 1.819 307 W CB 0.242 29.814 29.460 0.186 0.000 1.091 307 W HN 0.340 8.520 8.180 -0.000 0.000 0.629 308 S N 0.991 116.735 115.700 0.073 0.000 2.382 308 S HA -0.156 4.314 4.470 0.001 0.000 0.228 308 S C -0.440 174.066 174.600 -0.157 0.000 1.027 308 S CA 1.006 59.191 58.200 -0.025 0.000 0.991 308 S CB -1.911 61.260 63.200 -0.049 0.000 0.823 308 S HN 0.163 8.473 8.310 -0.000 0.000 0.469 309 P HA 0.067 4.487 4.420 -0.000 0.000 0.220 309 P C -0.187 176.852 177.300 -0.435 0.000 1.148 309 P CA 0.630 63.408 63.100 -0.536 0.000 0.803 309 P CB -0.213 30.974 31.700 -0.856 0.000 0.782 310 F N 1.881 121.875 119.950 0.073 0.000 2.385 310 F HA 0.388 4.915 4.527 0.000 0.000 0.360 310 F C -1.694 174.079 175.800 -0.045 0.000 1.122 310 F CA -2.794 55.236 58.000 0.050 0.000 1.090 310 F CB 0.351 39.433 39.000 0.137 0.000 1.150 310 F HN -0.148 8.152 8.300 -0.000 0.000 0.472 311 P HA 0.290 4.710 4.420 -0.000 0.000 0.278 311 P C -0.819 176.313 177.300 -0.279 0.000 1.258 311 P CA -0.834 62.126 63.100 -0.233 0.000 0.811 311 P CB 0.998 32.441 31.700 -0.427 0.000 1.063 312 R N 1.024 121.438 120.500 -0.144 0.000 2.870 312 R HA 0.246 4.587 4.340 0.001 0.000 0.254 312 R C -0.216 176.119 176.300 0.059 0.000 1.392 312 R CA -0.309 55.774 56.100 -0.029 0.000 1.322 312 R CB -0.805 29.507 30.300 0.020 0.000 1.205 312 R HN 0.467 8.737 8.270 -0.000 0.000 0.597 313 Y N 2.488 122.863 120.300 0.124 0.000 2.683 313 Y HA -0.030 4.520 4.550 0.001 0.000 0.340 313 Y C 0.673 176.667 175.900 0.157 0.000 1.245 313 Y CA 0.215 58.364 58.100 0.081 0.000 1.485 313 Y CB 0.267 38.721 38.460 -0.011 0.000 1.328 313 Y HN 0.361 8.641 8.280 -0.000 0.000 0.603 314 F N 0.000 120.054 119.950 0.173 0.000 2.286 314 F HA 0.000 4.527 4.527 0.001 0.000 0.279 314 F CA 0.000 58.054 58.000 0.091 0.000 1.383 314 F CB 0.000 39.033 39.000 0.054 0.000 1.145 314 F HN 0.000 8.300 8.300 -0.000 0.000 0.574