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 2d21_1_A DATA FIRST_RESID 1 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTRITK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 4.309 4.320 -0.018 0.000 0.191 1 K C 0.000 176.589 176.600 -0.018 0.000 0.988 1 K CA 0.000 56.277 56.287 -0.016 0.000 0.838 1 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 2 I N 2.032 122.589 120.570 -0.020 0.000 3.021 2 I HA 0.071 4.227 4.170 -0.024 0.000 0.303 2 I C -0.202 175.904 176.117 -0.018 0.000 1.044 2 I CA -0.724 60.562 61.300 -0.022 0.000 1.266 2 I CB 0.871 38.854 38.000 -0.028 0.000 1.447 2 I HN 0.077 8.275 8.210 -0.020 0.000 0.593 3 E N 3.647 123.836 120.200 -0.018 0.000 2.265 3 E HA -0.083 4.260 4.350 -0.011 0.000 0.272 3 E C -0.943 175.649 176.600 -0.012 0.000 1.067 3 E CA 0.490 56.882 56.400 -0.014 0.000 0.900 3 E CB 0.258 29.949 29.700 -0.014 0.000 1.017 3 E HN 0.268 8.615 8.360 -0.022 0.000 0.431 4 E N 3.816 124.011 120.200 -0.008 0.000 2.280 4 E HA -0.073 4.274 4.350 -0.004 0.000 0.261 4 E C 1.180 177.780 176.600 -0.000 0.000 1.088 4 E CA -0.278 56.120 56.400 -0.003 0.000 0.915 4 E CB 1.113 30.812 29.700 -0.002 0.000 1.141 4 E HN 0.057 8.413 8.360 -0.008 0.000 0.433 5 G N 1.337 110.142 108.800 0.008 0.000 2.160 5 G HA2 -0.437 3.535 3.960 0.020 0.000 0.251 5 G HA3 -0.437 3.524 3.960 0.002 0.000 0.251 5 G C -1.893 173.014 174.900 0.011 0.000 1.008 5 G CA 0.548 45.654 45.100 0.010 0.000 0.724 5 G HN 0.646 8.943 8.290 0.013 0.000 0.514 6 K N -3.867 116.539 120.400 0.010 0.000 2.536 6 K HA 0.569 5.104 4.320 0.007 -0.210 0.269 6 K C -2.448 174.147 176.600 -0.009 0.000 0.965 6 K CA -1.498 54.790 56.287 0.001 0.000 0.860 6 K CB 3.383 35.879 32.500 -0.007 0.000 1.423 6 K HN -0.745 7.510 8.250 0.008 0.000 0.438 7 L N -1.183 120.025 121.223 -0.025 0.000 2.424 7 L HA 0.426 4.937 4.340 -0.046 -0.199 0.258 7 L C -1.901 174.945 176.870 -0.041 0.000 0.995 7 L CA -0.896 53.917 54.840 -0.046 0.000 0.821 7 L CB 4.637 46.647 42.059 -0.080 0.000 1.383 7 L HN 0.252 8.368 8.230 -0.022 0.100 0.410 8 V N 0.620 120.505 119.914 -0.048 0.000 2.709 8 V HA 0.225 4.475 4.120 0.027 -0.114 0.308 8 V C -1.832 174.267 176.094 0.008 0.000 1.062 8 V CA -0.696 61.585 62.300 -0.032 0.000 0.901 8 V CB 4.158 35.901 31.823 -0.134 0.000 1.003 8 V HN -0.287 7.960 8.190 -0.067 -0.098 0.425 9 I N 3.179 123.839 120.570 0.150 0.000 2.418 9 I HA 0.272 4.604 4.170 0.269 0.000 0.287 9 I C -1.729 174.664 176.117 0.461 0.000 1.008 9 I CA -1.009 60.461 61.300 0.282 0.000 1.104 9 I CB 2.262 40.447 38.000 0.309 0.000 1.264 9 I HN -0.131 8.091 8.210 0.184 0.099 0.438 10 W N 6.860 128.262 121.300 0.169 0.000 2.632 10 W HA 0.448 5.298 4.660 0.101 -0.129 0.328 10 W C -1.340 175.300 176.519 0.202 0.000 1.044 10 W CA -2.138 55.291 57.345 0.141 0.000 1.225 10 W CB 2.174 31.699 29.460 0.108 0.000 1.396 10 W HN 0.109 8.561 8.180 0.452 0.000 0.499 11 I N -1.968 118.791 120.570 0.314 0.000 2.892 11 I HA 0.255 4.590 4.170 0.275 0.000 0.306 11 I C -0.060 176.149 176.117 0.154 0.000 1.078 11 I CA -2.341 59.089 61.300 0.216 0.000 1.032 11 I CB 2.396 40.472 38.000 0.127 0.000 1.229 11 I HN -0.578 7.758 8.210 0.209 0.000 0.435 12 N N 0.860 119.600 118.700 0.067 0.000 2.334 12 N HA -0.283 4.466 4.740 0.015 0.000 0.187 12 N C 0.083 175.601 175.510 0.015 0.000 1.016 12 N CA 2.874 55.901 53.050 -0.040 0.000 0.879 12 N CB 0.536 38.866 38.487 -0.261 0.000 0.965 12 N HN 0.623 9.023 8.380 0.034 0.000 0.438 13 G N -4.583 104.239 108.800 0.036 0.000 2.663 13 G HA2 -0.334 3.661 3.960 0.058 0.000 0.686 13 G HA3 -0.334 3.874 3.960 0.045 -0.221 0.686 13 G C -1.057 173.875 174.900 0.054 0.000 1.246 13 G CA -0.642 44.487 45.100 0.048 0.000 0.795 13 G HN -0.656 7.612 8.290 0.049 0.052 0.627 14 D N -2.450 117.987 120.400 0.063 0.000 3.006 14 D HA -0.544 4.131 4.640 0.058 0.000 0.208 14 D C -0.581 175.770 176.300 0.085 0.000 1.116 14 D CA 2.172 56.214 54.000 0.070 0.000 0.998 14 D CB -0.048 40.801 40.800 0.082 0.000 1.124 14 D HN 0.386 8.787 8.370 0.051 0.000 0.413 15 K N -1.430 119.029 120.400 0.097 0.000 2.117 15 K HA 0.120 4.468 4.320 0.046 0.000 0.240 15 K C 1.559 178.236 176.600 0.127 0.000 1.031 15 K CA -0.334 56.002 56.287 0.082 0.000 0.909 15 K CB 0.574 33.104 32.500 0.049 0.000 1.097 15 K HN -0.152 8.038 8.250 0.097 0.118 0.492 16 G N 1.056 109.885 108.800 0.047 0.000 3.353 16 G HA2 0.081 4.141 3.960 -0.051 0.000 0.247 16 G HA3 0.081 4.018 3.960 -0.039 0.000 0.247 16 G C 0.267 175.150 174.900 -0.028 0.000 1.025 16 G CA -0.217 44.873 45.100 -0.018 0.000 1.863 16 G HN 0.403 8.702 8.290 0.016 0.000 0.635 17 Y N 1.263 121.549 120.300 -0.024 0.000 2.207 17 Y HA -0.461 4.094 4.550 0.008 0.000 0.287 17 Y C 0.625 176.531 175.900 0.010 0.000 1.156 17 Y CA 2.048 60.153 58.100 0.008 0.000 1.182 17 Y CB -0.732 37.764 38.460 0.060 0.000 0.979 17 Y HN -0.143 8.248 8.280 0.341 0.094 0.521 18 N N -0.201 117.995 118.700 -0.840 0.000 2.166 18 N HA -0.293 4.162 4.740 -0.474 0.000 0.186 18 N C 2.278 177.653 175.510 -0.225 0.000 1.019 18 N CA 3.091 55.794 53.050 -0.578 0.000 0.856 18 N CB -0.556 37.565 38.487 -0.610 0.000 0.993 18 N HN -0.355 7.396 8.380 -1.199 -0.091 0.426 19 G N -1.425 107.271 108.800 -0.173 0.000 2.403 19 G HA2 -0.160 3.756 3.960 -0.074 0.000 0.216 19 G HA3 -0.160 3.900 3.960 -0.078 -0.147 0.216 19 G C 1.094 175.972 174.900 -0.036 0.000 1.154 19 G CA 1.346 46.396 45.100 -0.085 0.000 0.784 19 G HN -0.747 7.585 8.290 -0.216 -0.171 0.538 20 L N 1.466 122.675 121.223 -0.023 0.000 2.156 20 L HA -0.205 4.142 4.340 0.011 0.000 0.208 20 L C 1.121 178.044 176.870 0.089 0.000 1.095 20 L CA 1.627 56.482 54.840 0.025 0.000 0.770 20 L CB -0.298 41.770 42.059 0.015 0.000 0.914 20 L HN -0.771 7.348 8.230 -0.045 0.083 0.439 21 A N -0.897 121.973 122.820 0.083 0.000 1.892 21 A HA -0.394 4.013 4.320 0.146 0.000 0.218 21 A C 2.213 179.854 177.584 0.096 0.000 1.188 21 A CA 3.327 55.429 52.037 0.109 0.000 0.631 21 A CB -1.036 18.023 19.000 0.098 0.000 0.822 21 A HN 0.146 8.322 8.150 0.044 0.000 0.447 22 E N -2.584 117.653 120.200 0.062 0.000 2.130 22 E HA -0.341 4.040 4.350 0.051 0.000 0.196 22 E C 2.354 179.014 176.600 0.100 0.000 0.998 22 E CA 2.856 59.292 56.400 0.060 0.000 0.806 22 E CB -0.746 28.975 29.700 0.035 0.000 0.738 22 E HN -0.495 7.885 8.360 0.033 0.000 0.459 23 V N -1.443 118.557 119.914 0.142 0.000 2.287 23 V HA -0.359 3.880 4.120 0.198 0.000 0.248 23 V C 2.023 178.332 176.094 0.360 0.000 1.053 23 V CA 4.022 66.462 62.300 0.232 0.000 1.027 23 V CB -1.215 30.720 31.823 0.186 0.000 0.646 23 V HN -0.620 7.630 8.190 0.116 0.009 0.447 24 G N -2.234 106.767 108.800 0.336 0.000 2.443 24 G HA2 -0.291 3.616 3.960 -0.089 0.000 0.219 24 G HA3 -0.291 3.709 3.960 0.066 0.000 0.219 24 G C 1.246 176.174 174.900 0.046 0.000 1.131 24 G CA 1.897 47.066 45.100 0.116 0.000 0.775 24 G HN -0.376 8.096 8.290 0.304 0.000 0.547 25 K N 2.021 122.456 120.400 0.058 0.000 2.057 25 K HA -0.271 4.053 4.320 0.007 0.000 0.206 25 K C 2.275 178.864 176.600 -0.019 0.000 1.050 25 K CA 2.735 59.033 56.287 0.018 0.000 0.935 25 K CB -0.106 32.410 32.500 0.027 0.000 0.715 25 K HN -0.341 7.815 8.250 0.090 0.148 0.439 26 K N 0.075 120.461 120.400 -0.024 0.000 1.973 26 K HA -0.257 4.019 4.320 -0.072 0.000 0.212 26 K C 1.712 178.144 176.600 -0.280 0.000 1.047 26 K CA 2.345 58.563 56.287 -0.115 0.000 0.937 26 K CB -0.561 31.891 32.500 -0.080 0.000 0.721 26 K HN -0.202 8.065 8.250 0.028 0.000 0.440 27 F N 0.180 119.790 119.950 -0.568 0.000 2.065 27 F HA -0.439 3.559 4.527 -0.882 0.000 0.298 27 F C 1.494 177.118 175.800 -0.293 0.000 1.112 27 F CA 3.910 61.559 58.000 -0.585 0.000 1.212 27 F CB 0.189 38.991 39.000 -0.329 0.000 0.975 27 F HN -0.189 8.015 8.300 -0.161 0.000 0.476 28 E N -1.396 118.731 120.200 -0.123 0.000 2.209 28 E HA -0.462 3.844 4.350 -0.252 -0.107 0.196 28 E C 1.571 178.057 176.600 -0.191 0.000 0.993 28 E CA 2.672 58.972 56.400 -0.167 0.000 0.819 28 E CB -0.117 29.549 29.700 -0.055 0.000 0.745 28 E HN -0.045 8.333 8.360 0.029 0.000 0.477 29 K N -2.595 117.709 120.400 -0.159 0.000 2.228 29 K HA -0.158 4.105 4.320 -0.096 0.000 0.202 29 K C 1.176 177.690 176.600 -0.143 0.000 1.051 29 K CA 1.930 58.145 56.287 -0.119 0.000 0.960 29 K CB -0.408 32.045 32.500 -0.077 0.000 0.743 29 K HN -0.607 7.424 8.250 -0.151 0.129 0.458 30 D N -1.475 118.796 120.400 -0.214 0.000 2.262 30 D HA -0.015 4.563 4.640 -0.103 0.000 0.212 30 D C 1.628 177.782 176.300 -0.243 0.000 0.964 30 D CA 2.268 56.160 54.000 -0.179 0.000 0.875 30 D CB 0.715 41.441 40.800 -0.123 0.000 0.996 30 D HN -0.355 7.719 8.370 -0.284 0.126 0.497 31 T N -5.607 108.677 114.554 -0.450 0.000 3.034 31 T HA 0.119 4.298 4.350 -0.286 0.000 0.248 31 T C 1.663 176.185 174.700 -0.297 0.000 1.040 31 T CA 0.458 62.287 62.100 -0.451 0.000 1.107 31 T CB 2.505 70.842 68.868 -0.884 0.000 0.932 31 T HN 0.169 7.926 8.240 -0.626 0.107 0.474 32 G N 1.567 110.203 108.800 -0.274 0.000 2.241 32 G HA2 -0.385 3.602 3.960 -0.127 0.000 0.244 32 G HA3 -0.385 3.504 3.960 -0.118 0.000 0.244 32 G C -0.519 174.313 174.900 -0.113 0.000 0.998 32 G CA 0.209 45.218 45.100 -0.152 0.000 0.621 32 G HN -0.337 7.632 8.290 -0.340 0.118 0.519 33 I N 2.727 123.220 120.570 -0.128 0.000 2.664 33 I HA -0.367 3.957 4.170 -0.010 -0.160 0.284 33 I C 0.409 176.535 176.117 0.014 0.000 1.154 33 I CA -0.582 60.712 61.300 -0.010 0.000 1.402 33 I CB -1.610 36.450 38.000 0.101 0.000 1.395 33 I HN -0.719 7.244 8.210 -0.244 0.101 0.545 34 K N 7.829 128.229 120.400 0.001 0.000 2.527 34 K HA -0.195 4.343 4.320 -0.014 -0.227 0.278 34 K C -0.609 175.981 176.600 -0.016 0.000 0.981 34 K CA 1.212 57.495 56.287 -0.007 0.000 1.009 34 K CB 0.574 33.072 32.500 -0.005 0.000 0.895 34 K HN 0.054 8.303 8.250 -0.002 0.000 0.493 35 V N 8.124 128.021 119.914 -0.028 0.000 2.462 35 V HA 0.275 4.512 4.120 -0.081 -0.166 0.288 35 V C -0.885 175.211 176.094 0.003 0.000 1.020 35 V CA -0.990 61.274 62.300 -0.061 0.000 0.857 35 V CB 1.908 33.639 31.823 -0.154 0.000 1.013 35 V HN 0.290 8.791 8.190 -0.015 -0.320 0.431 36 T N 8.294 122.869 114.554 0.035 0.000 2.928 36 T HA 0.249 4.647 4.350 0.080 0.000 0.284 36 T C -1.573 173.208 174.700 0.135 0.000 1.008 36 T CA -1.097 61.054 62.100 0.086 0.000 1.057 36 T CB 1.858 70.783 68.868 0.096 0.000 1.018 36 T HN 0.200 8.453 8.240 0.021 0.000 0.493 37 V N 2.455 122.469 119.914 0.167 0.000 2.668 37 V HA 0.418 4.856 4.120 0.244 -0.172 0.304 37 V C -1.221 174.987 176.094 0.190 0.000 1.071 37 V CA -0.689 61.739 62.300 0.213 0.000 0.894 37 V CB 3.379 35.335 31.823 0.222 0.000 1.008 37 V HN 0.407 8.687 8.190 0.149 0.000 0.425 38 E N 5.621 125.923 120.200 0.170 0.000 2.343 38 E HA 0.403 4.652 4.350 -0.168 0.000 0.270 38 E C -1.733 174.787 176.600 -0.133 0.000 0.895 38 E CA -1.403 54.953 56.400 -0.073 0.000 0.767 38 E CB 3.852 33.475 29.700 -0.129 0.000 1.248 38 E HN 0.346 8.862 8.360 0.259 0.000 0.440 39 H N -2.658 116.265 119.070 -0.245 0.000 2.429 39 H HA 0.423 4.886 4.556 -0.155 0.000 0.237 39 H C -2.025 173.162 175.328 -0.235 0.000 1.378 39 H CA -3.770 52.108 56.048 -0.282 0.000 1.170 39 H CB -1.477 27.910 29.762 -0.626 0.000 1.671 39 H HN 0.387 7.919 8.280 -1.246 0.000 0.541 40 P HA -0.009 4.229 4.420 -0.304 0.000 0.274 40 P C -1.167 176.068 177.300 -0.109 0.000 1.256 40 P CA -0.516 62.406 63.100 -0.296 0.000 0.795 40 P CB 1.452 32.860 31.700 -0.487 0.000 1.038 41 D N -3.619 116.742 120.400 -0.064 0.000 2.500 41 D HA 0.060 4.739 4.640 0.065 0.000 0.217 41 D C -0.415 175.927 176.300 0.069 0.000 1.159 41 D CA 1.145 55.162 54.000 0.029 0.000 0.828 41 D CB 0.797 41.616 40.800 0.033 0.000 1.039 41 D HN 0.256 8.564 8.370 -0.104 0.000 0.512 42 K N -3.478 116.937 120.400 0.025 0.000 2.501 42 K HA 0.228 4.897 4.320 0.112 -0.282 0.204 42 K C 0.754 177.392 176.600 0.064 0.000 1.067 42 K CA -0.258 56.062 56.287 0.054 0.000 1.060 42 K CB -1.236 31.275 32.500 0.018 0.000 0.873 42 K HN -0.489 7.728 8.250 -0.055 0.000 0.540 43 L N -3.033 118.229 121.223 0.066 0.000 2.187 43 L HA -0.294 4.047 4.340 0.001 0.000 0.213 43 L C 0.954 178.014 176.870 0.318 0.000 1.100 43 L CA 2.846 57.772 54.840 0.142 0.000 0.765 43 L CB -1.125 41.053 42.059 0.199 0.000 0.904 43 L HN -0.212 8.061 8.230 0.071 0.000 0.437 44 E N 0.825 121.184 120.200 0.264 0.000 2.209 44 E HA -0.394 3.999 4.350 0.071 0.000 0.196 44 E C 1.187 177.893 176.600 0.177 0.000 0.993 44 E CA 2.427 58.902 56.400 0.125 0.000 0.819 44 E CB -1.144 28.549 29.700 -0.012 0.000 0.745 44 E HN 0.368 8.888 8.360 0.308 0.025 0.477 45 E N -2.438 117.856 120.200 0.156 0.000 2.413 45 E HA 0.032 4.444 4.350 0.104 0.000 0.203 45 E C 2.344 179.015 176.600 0.118 0.000 0.957 45 E CA 0.978 57.446 56.400 0.114 0.000 0.950 45 E CB 0.301 30.049 29.700 0.080 0.000 0.957 45 E HN -0.534 7.887 8.360 0.155 0.032 0.497 46 K N 0.072 120.581 120.400 0.181 0.000 2.044 46 K HA -0.141 4.273 4.320 0.158 0.000 0.204 46 K C 1.778 178.591 176.600 0.355 0.000 1.049 46 K CA 2.155 58.587 56.287 0.243 0.000 0.945 46 K CB 0.109 32.734 32.500 0.208 0.000 0.724 46 K HN -0.801 7.467 8.250 0.187 0.095 0.440 47 F N 1.046 121.190 119.950 0.324 0.000 2.027 47 F HA -0.234 4.349 4.527 0.092 0.000 0.297 47 F C -1.859 173.886 175.800 -0.092 0.000 1.129 47 F CA 4.599 62.664 58.000 0.108 0.000 1.195 47 F CB -2.597 36.411 39.000 0.013 0.000 0.960 47 F HN 0.495 9.040 8.300 0.601 0.116 0.485 48 P HA -0.139 3.703 4.420 -0.964 0.000 0.226 48 P C 0.549 177.675 177.300 -0.289 0.000 1.153 48 P CA 2.426 65.168 63.100 -0.598 0.000 0.777 48 P CB -0.878 30.653 31.700 -0.282 0.000 0.794 49 Q N -3.693 116.026 119.800 -0.135 0.000 2.302 49 Q HA -0.001 4.291 4.340 -0.079 0.000 0.202 49 Q C 1.663 177.629 176.000 -0.057 0.000 0.936 49 Q CA 1.088 56.852 55.803 -0.064 0.000 0.886 49 Q CB 0.850 29.589 28.738 0.001 0.000 0.986 49 Q HN -0.296 7.761 8.270 -0.071 0.170 0.487 50 V N -1.698 118.188 119.914 -0.046 0.000 2.581 50 V HA -0.078 4.030 4.120 -0.020 0.000 0.240 50 V C 1.530 177.554 176.094 -0.117 0.000 1.054 50 V CA 2.233 64.511 62.300 -0.035 0.000 1.076 50 V CB 0.545 32.395 31.823 0.044 0.000 0.748 50 V HN 0.053 8.222 8.190 -0.036 0.000 0.474 51 A N -0.012 122.682 122.820 -0.209 0.000 2.070 51 A HA -0.268 4.016 4.320 -0.168 -0.064 0.220 51 A C 1.635 179.082 177.584 -0.227 0.000 1.159 51 A CA 2.763 54.654 52.037 -0.244 0.000 0.656 51 A CB -0.786 17.990 19.000 -0.374 0.000 0.800 51 A HN 0.337 8.336 8.150 -0.252 0.000 0.453 52 A N -2.740 119.945 122.820 -0.226 0.000 2.070 52 A HA -0.219 3.991 4.320 -0.183 0.000 0.220 52 A C 0.808 178.325 177.584 -0.113 0.000 1.159 52 A CA 2.212 54.148 52.037 -0.169 0.000 0.656 52 A CB -0.310 18.602 19.000 -0.146 0.000 0.800 52 A HN 0.290 8.262 8.150 -0.247 0.029 0.453 53 T N -2.334 112.162 114.554 -0.096 0.000 3.069 53 T HA 0.072 4.384 4.350 -0.062 0.000 0.252 53 T C 0.127 174.787 174.700 -0.067 0.000 1.053 53 T CA -0.104 61.955 62.100 -0.068 0.000 0.964 53 T CB 0.123 68.960 68.868 -0.050 0.000 1.005 53 T HN -0.386 7.643 8.240 -0.105 0.147 0.532 54 G N 1.826 110.575 108.800 -0.085 0.000 2.246 54 G HA2 -0.373 3.533 3.960 -0.090 0.000 0.273 54 G HA3 -0.373 3.547 3.960 -0.066 0.000 0.273 54 G C -0.540 174.317 174.900 -0.071 0.000 1.055 54 G CA 0.895 45.948 45.100 -0.078 0.000 0.851 54 G HN -0.174 7.846 8.290 -0.107 0.206 0.500 55 D N -2.031 118.323 120.400 -0.077 0.000 2.520 55 D HA 0.262 4.867 4.640 -0.059 0.000 0.223 55 D C -0.349 175.892 176.300 -0.098 0.000 1.186 55 D CA -0.189 53.772 54.000 -0.066 0.000 0.821 55 D CB 1.782 42.559 40.800 -0.038 0.000 1.072 55 D HN -0.459 7.859 8.370 -0.088 0.000 0.518 56 G N 0.261 108.974 108.800 -0.144 0.000 2.508 56 G HA2 0.164 3.944 3.960 -0.301 0.000 0.278 56 G HA3 0.164 4.049 3.960 -0.213 -0.052 0.278 56 G C -2.305 172.375 174.900 -0.367 0.000 1.389 56 G CA -1.369 43.575 45.100 -0.260 0.000 1.050 56 G HN -0.694 7.518 8.290 -0.129 0.000 0.522 57 P HA -0.051 4.040 4.420 -0.548 0.000 0.272 57 P C -1.601 175.526 177.300 -0.289 0.000 1.240 57 P CA -0.182 62.556 63.100 -0.604 0.000 0.791 57 P CB 1.029 32.186 31.700 -0.905 0.000 0.978 58 D N -2.964 117.310 120.400 -0.210 0.000 2.346 58 D HA 0.172 4.743 4.640 -0.116 0.000 0.206 58 D C -0.147 176.077 176.300 -0.126 0.000 1.001 58 D CA 1.850 55.773 54.000 -0.129 0.000 0.871 58 D CB 2.004 42.754 40.800 -0.084 0.000 0.943 58 D HN -0.182 8.065 8.370 -0.205 0.000 0.518 59 I N -2.771 117.713 120.570 -0.145 0.000 2.769 59 I HA 0.499 4.673 4.170 -0.203 -0.126 0.298 59 I C -2.383 173.602 176.117 -0.221 0.000 1.128 59 I CA -0.842 60.359 61.300 -0.164 0.000 1.031 59 I CB 4.618 42.593 38.000 -0.042 0.000 1.235 59 I HN -0.921 7.159 8.210 -0.159 0.035 0.423 60 I N 2.554 122.930 120.570 -0.322 0.000 2.730 60 I HA 0.467 4.614 4.170 -0.040 0.000 0.298 60 I C -2.826 173.255 176.117 -0.060 0.000 1.089 60 I CA -1.959 59.216 61.300 -0.208 0.000 1.041 60 I CB 5.189 42.817 38.000 -0.621 0.000 1.235 60 I HN 0.573 8.560 8.210 -0.371 0.000 0.423 61 F N 7.124 127.273 119.950 0.330 0.000 2.577 61 F HA 0.540 5.427 4.527 0.327 -0.164 0.344 61 F C -1.569 174.430 175.800 0.332 0.000 1.145 61 F CA -1.175 57.009 58.000 0.308 0.000 0.996 61 F CB 2.453 41.563 39.000 0.182 0.000 1.248 61 F HN 0.263 8.885 8.300 0.536 0.000 0.447 62 W N 3.330 124.643 121.300 0.022 0.000 3.005 62 W HA 0.307 4.977 4.660 0.017 0.000 0.343 62 W C -2.286 173.942 176.519 -0.485 0.000 1.243 62 W CA -0.199 57.043 57.345 -0.172 0.000 1.186 62 W CB 3.934 33.382 29.460 -0.021 0.000 1.453 62 W HN 0.126 8.349 8.180 0.073 0.000 0.575 63 A N 0.213 123.041 122.820 0.012 0.000 2.406 63 A HA 0.072 4.509 4.320 -0.051 -0.148 0.243 63 A C 0.122 177.657 177.584 -0.081 0.000 1.082 63 A CA 0.767 52.803 52.037 -0.000 0.000 0.786 63 A CB 1.301 20.360 19.000 0.100 0.000 1.029 63 A HN 0.204 8.363 8.150 0.013 0.000 0.495 64 H N 1.468 120.486 119.070 -0.086 0.000 2.457 64 H HA -0.362 4.179 4.556 -0.025 0.000 0.297 64 H C 1.812 177.234 175.328 0.156 0.000 1.092 64 H CA 3.528 59.590 56.048 0.023 0.000 1.309 64 H CB 0.139 29.951 29.762 0.084 0.000 1.382 64 H HN 0.621 8.976 8.280 0.125 0.000 0.535 65 D N -0.039 120.347 120.400 -0.023 0.000 2.127 65 D HA -0.369 4.264 4.640 -0.011 0.000 0.190 65 D C 2.345 178.745 176.300 0.168 0.000 1.000 65 D CA 3.568 57.623 54.000 0.091 0.000 0.839 65 D CB -0.635 40.289 40.800 0.206 0.000 0.955 65 D HN 0.310 8.710 8.370 0.085 0.022 0.446 66 R N -1.025 119.554 120.500 0.132 0.000 2.237 66 R HA -0.163 4.063 4.340 -0.190 0.000 0.219 66 R C 2.124 178.330 176.300 -0.157 0.000 1.080 66 R CA 1.832 57.846 56.100 -0.143 0.000 0.995 66 R CB -0.235 29.762 30.300 -0.505 0.000 0.875 66 R HN -0.379 8.041 8.270 0.251 0.000 0.462 67 F N -2.808 117.053 119.950 -0.148 0.000 2.780 67 F HA 0.136 4.678 4.527 0.025 0.000 0.299 67 F C 1.276 177.030 175.800 -0.077 0.000 1.146 67 F CA -1.947 56.035 58.000 -0.028 0.000 1.428 67 F CB -0.640 38.459 39.000 0.165 0.000 1.115 67 F HN -0.395 7.824 8.300 0.180 0.189 0.583 68 G N -2.006 106.802 108.800 0.013 0.000 2.535 68 G HA2 -0.259 3.793 3.960 0.154 0.000 0.218 68 G HA3 -0.259 3.730 3.960 0.048 0.000 0.218 68 G C -0.207 174.735 174.900 0.070 0.000 1.122 68 G CA 1.715 46.850 45.100 0.059 0.000 0.769 68 G HN -0.225 7.869 8.290 -0.036 0.174 0.549 69 G N -2.159 106.606 108.800 -0.059 0.000 2.659 69 G HA2 0.269 4.241 3.960 0.019 0.000 0.197 69 G HA3 0.269 4.157 3.960 -0.121 0.000 0.197 69 G C 0.744 175.646 174.900 0.004 0.000 1.099 69 G CA -0.038 45.030 45.100 -0.053 0.000 0.759 69 G HN -0.796 7.334 8.290 -0.178 0.053 0.715 70 Y N 2.501 122.783 120.300 -0.030 0.000 2.165 70 Y HA -0.404 4.076 4.550 -0.118 0.000 0.286 70 Y C 1.263 177.075 175.900 -0.146 0.000 1.155 70 Y CA 2.005 60.051 58.100 -0.091 0.000 1.164 70 Y CB -0.865 37.567 38.460 -0.047 0.000 0.978 70 Y HN -0.730 7.427 8.280 -0.205 0.000 0.513 71 A N -3.178 119.628 122.820 -0.023 0.000 1.898 71 A HA -0.277 3.947 4.320 -0.160 0.000 0.216 71 A C 2.508 179.985 177.584 -0.179 0.000 1.181 71 A CA 2.853 54.784 52.037 -0.177 0.000 0.620 71 A CB -0.934 17.859 19.000 -0.344 0.000 0.819 71 A HN -0.625 7.526 8.150 0.001 0.000 0.442 72 Q N 0.188 119.919 119.800 -0.114 0.000 2.096 72 Q HA -0.267 4.049 4.340 -0.040 0.000 0.204 72 Q C 1.934 177.918 176.000 -0.027 0.000 0.982 72 Q CA 2.172 57.958 55.803 -0.027 0.000 0.850 72 Q CB -0.454 28.334 28.738 0.084 0.000 0.901 72 Q HN 0.102 8.328 8.270 -0.074 0.000 0.422 73 S N -3.538 112.148 115.700 -0.025 0.000 2.547 73 S HA -0.125 4.326 4.470 -0.032 0.000 0.235 73 S C 0.228 174.787 174.600 -0.069 0.000 0.980 73 S CA 0.973 59.150 58.200 -0.039 0.000 0.941 73 S CB 0.492 63.674 63.200 -0.030 0.000 0.763 73 S HN -0.225 8.081 8.310 -0.006 0.000 0.532 74 G N -0.830 107.921 108.800 -0.081 0.000 2.176 74 G HA2 -0.264 3.690 3.960 -0.097 0.000 0.253 74 G HA3 -0.264 3.647 3.960 -0.082 0.000 0.253 74 G C 0.112 174.946 174.900 -0.110 0.000 0.979 74 G CA 0.591 45.635 45.100 -0.093 0.000 0.641 74 G HN -0.223 7.799 8.290 -0.084 0.218 0.530 75 L N -1.088 120.060 121.223 -0.125 0.000 2.056 75 L HA -0.166 4.080 4.340 -0.158 0.000 0.207 75 L C 0.089 176.899 176.870 -0.099 0.000 1.078 75 L CA 1.885 56.637 54.840 -0.145 0.000 0.749 75 L CB 0.137 42.039 42.059 -0.262 0.000 0.901 75 L HN -0.509 7.588 8.230 -0.111 0.066 0.433 76 L N -3.817 117.331 121.223 -0.125 0.000 2.305 76 L HA 0.227 4.607 4.340 -0.186 -0.151 0.281 76 L C -0.459 176.314 176.870 -0.162 0.000 1.085 76 L CA -0.801 53.930 54.840 -0.181 0.000 0.813 76 L CB 0.223 42.124 42.059 -0.262 0.000 1.157 76 L HN -0.990 7.168 8.230 -0.120 0.000 0.436 77 A N 3.647 126.372 122.820 -0.159 0.000 2.287 77 A HA 0.093 4.346 4.320 -0.112 0.000 0.273 77 A C -1.213 176.291 177.584 -0.134 0.000 1.091 77 A CA -0.996 50.962 52.037 -0.131 0.000 0.817 77 A CB 1.280 20.208 19.000 -0.119 0.000 1.069 77 A HN 0.672 8.716 8.150 -0.176 0.000 0.492 78 E N -0.521 119.621 120.200 -0.098 0.000 2.344 78 E HA -0.020 4.451 4.350 -0.073 -0.165 0.270 78 E C -0.036 176.516 176.600 -0.079 0.000 1.021 78 E CA -0.216 56.139 56.400 -0.075 0.000 0.887 78 E CB 0.625 30.296 29.700 -0.049 0.000 0.997 78 E HN 0.077 8.387 8.360 -0.084 0.000 0.429 79 I N 0.089 120.618 120.570 -0.068 0.000 3.573 79 I HA 0.310 4.446 4.170 -0.057 0.000 0.285 79 I C -0.788 175.359 176.117 0.050 0.000 1.203 79 I CA -2.026 59.245 61.300 -0.048 0.000 1.033 79 I CB 1.883 39.741 38.000 -0.237 0.000 1.348 79 I HN -0.170 8.013 8.210 -0.044 0.000 0.525 80 T N -0.437 114.201 114.554 0.139 0.000 3.173 80 T HA -0.100 4.344 4.350 0.156 0.000 0.441 80 T C -1.024 173.688 174.700 0.020 0.000 0.771 80 T CA 0.965 63.129 62.100 0.106 0.000 2.303 80 T CB -0.620 68.267 68.868 0.031 0.000 1.682 80 T HN 0.362 8.735 8.240 0.223 0.000 0.651 81 P HA 0.024 4.439 4.420 -0.008 0.000 0.225 81 P C -0.616 176.684 177.300 0.001 0.000 1.156 81 P CA 0.668 63.765 63.100 -0.005 0.000 0.787 81 P CB 0.953 32.645 31.700 -0.014 0.000 0.802 82 D N -2.705 117.704 120.400 0.016 0.000 2.958 82 D HA 0.056 4.699 4.640 0.005 0.000 0.306 82 D C -1.003 175.311 176.300 0.023 0.000 1.226 82 D CA -0.602 53.410 54.000 0.020 0.000 1.032 82 D CB 2.770 43.590 40.800 0.034 0.000 1.400 82 D HN -0.434 7.919 8.370 0.030 0.035 0.587 83 K N -0.486 119.928 120.400 0.024 0.000 2.391 83 K HA 0.181 4.486 4.320 -0.025 0.000 0.197 83 K C 0.743 177.375 176.600 0.052 0.000 1.087 83 K CA 0.837 57.128 56.287 0.007 0.000 1.012 83 K CB 0.156 32.644 32.500 -0.020 0.000 0.925 83 K HN 0.097 8.362 8.250 0.025 0.000 0.547 84 A N -0.904 121.964 122.820 0.080 0.000 1.883 84 A HA -0.231 4.121 4.320 0.053 0.000 0.217 84 A C 1.194 178.866 177.584 0.147 0.000 1.186 84 A CA 2.777 54.869 52.037 0.091 0.000 0.624 84 A CB -0.963 18.087 19.000 0.083 0.000 0.822 84 A HN -0.081 8.110 8.150 0.069 0.000 0.444 85 F N -2.307 117.677 119.950 0.057 0.000 2.269 85 F HA -0.301 4.263 4.527 0.061 0.000 0.301 85 F C 0.936 176.871 175.800 0.225 0.000 1.082 85 F CA 2.129 60.190 58.000 0.103 0.000 1.360 85 F CB 0.009 39.073 39.000 0.107 0.000 1.041 85 F HN -0.167 8.333 8.300 0.332 0.000 0.512 86 Q N -1.732 118.263 119.800 0.325 0.000 2.079 86 Q HA -0.336 4.540 4.340 0.893 0.000 0.200 86 Q C 2.032 178.179 176.000 0.246 0.000 0.974 86 Q CA 2.976 58.977 55.803 0.330 0.000 0.840 86 Q CB 0.047 28.679 28.738 -0.177 0.000 0.898 86 Q HN -0.654 7.649 8.270 0.263 0.125 0.430 87 D N -1.679 118.768 120.400 0.079 0.000 2.264 87 D HA -0.204 4.449 4.640 0.021 0.000 0.208 87 D C 0.739 177.013 176.300 -0.044 0.000 0.966 87 D CA 2.392 56.401 54.000 0.014 0.000 0.864 87 D CB -0.381 40.414 40.800 -0.008 0.000 0.933 87 D HN -0.663 7.747 8.370 0.066 0.000 0.499 88 K N -3.851 116.500 120.400 -0.082 0.000 2.442 88 K HA -0.216 4.022 4.320 -0.137 0.000 0.198 88 K C -0.536 175.939 176.600 -0.208 0.000 1.042 88 K CA 1.558 57.741 56.287 -0.173 0.000 0.958 88 K CB 0.251 32.583 32.500 -0.279 0.000 0.766 88 K HN -0.714 7.354 8.250 -0.055 0.150 0.474 89 L N -3.594 117.538 121.223 -0.152 0.000 2.279 89 L HA 0.490 4.899 4.340 -0.197 -0.188 0.262 89 L C -0.663 176.151 176.870 -0.094 0.000 1.019 89 L CA -1.863 52.872 54.840 -0.175 0.000 0.823 89 L CB 3.556 45.417 42.059 -0.331 0.000 1.358 89 L HN -0.604 7.432 8.230 -0.028 0.178 0.432 90 Y N -0.703 119.481 120.300 -0.193 0.000 2.314 90 Y HA 0.031 4.575 4.550 -0.010 0.000 0.334 90 Y C -0.213 175.629 175.900 -0.097 0.000 1.266 90 Y CA 0.341 58.357 58.100 -0.139 0.000 1.391 90 Y CB -0.231 38.088 38.460 -0.234 0.000 1.306 90 Y HN -0.238 8.025 8.280 -0.028 0.000 0.558 91 P HA -0.221 4.404 4.420 0.342 0.000 0.216 91 P C 0.670 178.075 177.300 0.175 0.000 1.153 91 P CA 2.060 65.306 63.100 0.243 0.000 0.844 91 P CB 0.076 31.901 31.700 0.207 0.000 0.787 92 F N -4.851 115.152 119.950 0.088 0.000 2.126 92 F HA -0.329 4.145 4.527 -0.088 0.000 0.299 92 F C 1.127 176.921 175.800 -0.009 0.000 1.096 92 F CA 2.670 60.651 58.000 -0.032 0.000 1.255 92 F CB -2.227 36.706 39.000 -0.112 0.000 0.997 92 F HN 0.043 8.615 8.300 0.453 0.000 0.479 93 T N -1.994 112.059 114.554 -0.834 0.000 2.881 93 T HA -0.313 3.787 4.350 -0.415 0.000 0.270 93 T C 0.316 174.832 174.700 -0.307 0.000 1.068 93 T CA 3.222 64.942 62.100 -0.633 0.000 1.131 93 T CB -0.912 67.433 68.868 -0.870 0.000 0.871 93 T HN -0.008 7.298 8.240 -1.556 0.000 0.479 94 W N -0.384 120.832 121.300 -0.140 0.000 2.443 94 W HA -0.236 4.425 4.660 0.002 0.000 0.296 94 W C 1.449 177.955 176.519 -0.023 0.000 1.202 94 W CA 1.966 59.291 57.345 -0.034 0.000 1.312 94 W CB 0.371 29.828 29.460 -0.004 0.000 1.120 94 W HN -0.622 7.421 8.180 0.028 0.155 0.536 95 D N 0.111 120.635 120.400 0.208 0.000 2.144 95 D HA -0.311 4.413 4.640 0.141 0.000 0.199 95 D C 2.185 178.494 176.300 0.014 0.000 0.984 95 D CA 3.663 57.734 54.000 0.119 0.000 0.834 95 D CB -0.358 40.503 40.800 0.101 0.000 0.955 95 D HN -0.506 7.895 8.370 0.190 0.082 0.465 96 A N -3.520 119.287 122.820 -0.020 0.000 2.259 96 A HA -0.132 4.108 4.320 -0.133 0.000 0.212 96 A C -0.284 177.144 177.584 -0.261 0.000 1.178 96 A CA 1.923 53.895 52.037 -0.108 0.000 0.734 96 A CB -0.386 18.598 19.000 -0.027 0.000 0.774 96 A HN -0.212 7.939 8.150 0.011 0.005 0.481 97 V N -12.284 107.536 119.914 -0.156 0.000 3.392 97 V HA 0.443 4.424 4.120 -0.231 0.000 0.294 97 V C -1.050 175.095 176.094 0.084 0.000 1.561 97 V CA -1.941 60.327 62.300 -0.054 0.000 1.056 97 V CB 0.857 32.770 31.823 0.150 0.000 0.882 97 V HN -0.626 7.351 8.190 -0.021 0.200 0.440 98 R N 1.297 121.830 120.500 0.056 0.000 2.893 98 R HA -0.239 4.236 4.340 0.225 0.000 0.279 98 R C -0.763 175.695 176.300 0.264 0.000 1.076 98 R CA 1.836 58.033 56.100 0.161 0.000 1.203 98 R CB 0.829 31.192 30.300 0.104 0.000 1.137 98 R HN -0.542 7.595 8.270 -0.028 0.116 0.541 99 Y N -0.930 119.427 120.300 0.096 0.000 2.728 99 Y HA 0.096 4.721 4.550 0.124 0.000 0.330 99 Y C -1.996 173.943 175.900 0.066 0.000 1.234 99 Y CA -1.049 57.113 58.100 0.103 0.000 1.070 99 Y CB 4.590 43.117 38.460 0.111 0.000 1.300 99 Y HN -0.140 8.287 8.280 0.245 0.000 0.467 100 N N 2.050 120.686 118.700 -0.106 0.000 2.400 100 N HA -0.154 4.555 4.740 -0.051 0.000 0.278 100 N C 0.455 176.026 175.510 0.102 0.000 1.247 100 N CA 0.720 53.753 53.050 -0.028 0.000 0.970 100 N CB -0.689 37.746 38.487 -0.087 0.000 1.312 100 N HN 0.368 8.369 8.380 -0.632 0.000 0.488 101 G N 5.988 114.832 108.800 0.073 0.000 5.229 101 G HA2 -0.572 3.414 3.960 0.043 0.000 0.250 101 G HA3 -0.572 3.424 3.960 0.060 0.000 0.250 101 G C -0.890 174.062 174.900 0.086 0.000 1.380 101 G CA 0.803 45.943 45.100 0.066 0.000 0.933 101 G HN 0.186 8.504 8.290 0.047 0.000 0.731 102 K N 2.813 123.284 120.400 0.119 0.000 2.187 102 K HA -0.075 4.281 4.320 0.059 0.000 0.247 102 K C -0.872 175.809 176.600 0.136 0.000 1.019 102 K CA -0.036 56.311 56.287 0.100 0.000 0.893 102 K CB 0.485 33.029 32.500 0.073 0.000 1.025 102 K HN -0.271 8.020 8.250 0.144 0.045 0.500 103 L N -2.115 119.160 121.223 0.088 0.000 2.334 103 L HA 0.157 4.606 4.340 0.180 0.000 0.272 103 L C 0.392 177.295 176.870 0.054 0.000 1.020 103 L CA -0.976 53.935 54.840 0.117 0.000 0.812 103 L CB 2.290 44.419 42.059 0.117 0.000 1.264 103 L HN -0.003 8.256 8.230 0.049 0.000 0.439 104 I N -8.093 112.522 120.570 0.075 0.000 4.730 104 I HA 0.576 4.688 4.170 -0.096 0.000 0.332 104 I C -1.555 174.546 176.117 -0.026 0.000 1.299 104 I CA -0.853 60.431 61.300 -0.027 0.000 1.294 104 I CB 3.166 41.113 38.000 -0.088 0.000 1.317 104 I HN 0.074 8.387 8.210 0.171 0.000 0.457 105 A N -2.147 120.721 122.820 0.080 0.000 2.564 105 A HA 0.168 4.397 4.320 -0.246 -0.056 0.291 105 A C -2.715 174.966 177.584 0.161 0.000 1.102 105 A CA -0.213 51.851 52.037 0.046 0.000 0.660 105 A CB 2.415 21.661 19.000 0.410 0.000 1.283 105 A HN -0.877 7.384 8.150 0.184 0.000 0.430 106 Y N -5.441 114.959 120.300 0.167 0.000 2.545 106 Y HA 0.567 4.986 4.550 -0.219 0.000 0.348 106 Y C -2.974 172.832 175.900 -0.158 0.000 1.002 106 Y CA -4.710 53.348 58.100 -0.070 0.000 1.039 106 Y CB 0.617 39.112 38.460 0.059 0.000 1.271 106 Y HN 0.611 8.982 8.280 0.152 0.000 0.467 107 P HA 0.151 4.655 4.420 -0.089 -0.138 0.271 107 P C -1.552 175.666 177.300 -0.137 0.000 1.216 107 P CA 0.101 63.074 63.100 -0.211 0.000 0.776 107 P CB 1.170 32.615 31.700 -0.426 0.000 0.881 108 I N -0.863 119.686 120.570 -0.034 0.000 3.650 108 I HA 0.234 4.397 4.170 -0.012 0.000 0.261 108 I C -0.566 175.546 176.117 -0.008 0.000 1.154 108 I CA -0.442 60.872 61.300 0.022 0.000 1.418 108 I CB 1.674 39.781 38.000 0.178 0.000 1.539 108 I HN 0.714 8.914 8.210 -0.018 0.000 0.449 109 A N -2.025 120.794 122.820 -0.003 0.000 2.527 109 A HA 0.358 4.745 4.320 -0.006 -0.072 0.293 109 A C -2.534 175.043 177.584 -0.011 0.000 1.117 109 A CA -1.167 50.867 52.037 -0.005 0.000 0.723 109 A CB 3.402 22.406 19.000 0.007 0.000 1.313 109 A HN -0.572 7.582 8.150 0.008 0.000 0.411 110 V N 0.058 119.973 119.914 0.001 0.000 2.313 110 V HA 0.123 4.261 4.120 0.030 0.000 0.262 110 V C -1.567 174.536 176.094 0.015 0.000 1.011 110 V CA -0.117 62.196 62.300 0.022 0.000 0.858 110 V CB 0.084 31.936 31.823 0.049 0.000 1.104 110 V HN -0.060 8.014 8.190 0.002 0.117 0.456 111 E N 4.867 125.072 120.200 0.008 0.000 2.267 111 E HA 0.154 4.503 4.350 -0.002 0.000 0.248 111 E C -1.197 175.404 176.600 0.003 0.000 0.899 111 E CA -0.751 55.649 56.400 0.000 0.000 0.764 111 E CB 1.710 31.406 29.700 -0.006 0.000 1.227 111 E HN 0.095 8.459 8.360 0.008 0.000 0.421 112 A N 7.046 129.869 122.820 0.005 0.000 3.095 112 A HA 0.319 4.737 4.320 0.012 -0.090 0.301 112 A C -1.309 176.276 177.584 0.001 0.000 1.432 112 A CA -0.836 51.206 52.037 0.009 0.000 1.140 112 A CB -0.310 18.699 19.000 0.015 0.000 1.174 112 A HN 0.430 8.580 8.150 0.001 0.000 0.546 113 L N -2.446 118.776 121.223 -0.002 0.000 2.676 113 L HA 0.456 4.795 4.340 -0.002 0.000 0.262 113 L C -2.150 174.717 176.870 -0.005 0.000 0.932 113 L CA 0.364 55.202 54.840 -0.003 0.000 0.932 113 L CB 1.606 43.663 42.059 -0.004 0.000 1.355 113 L HN -0.641 7.587 8.230 -0.003 0.000 0.421 114 S N 2.384 118.079 115.700 -0.008 0.000 2.552 114 S HA 0.361 4.831 4.470 -0.000 0.000 0.272 114 S C -1.549 173.041 174.600 -0.016 0.000 1.150 114 S CA -0.634 57.561 58.200 -0.010 0.000 0.849 114 S CB 2.414 65.603 63.200 -0.017 0.000 1.113 114 S HN 0.030 8.334 8.310 -0.009 0.000 0.458 115 L N 1.069 122.287 121.223 -0.009 0.000 2.549 115 L HA 0.280 4.590 4.340 -0.051 0.000 0.259 115 L C -2.293 174.568 176.870 -0.016 0.000 0.934 115 L CA 0.295 55.124 54.840 -0.018 0.000 0.865 115 L CB 3.505 45.561 42.059 -0.005 0.000 1.352 115 L HN 0.144 8.379 8.230 0.009 0.000 0.410 116 I N 2.146 122.653 120.570 -0.106 0.000 2.677 116 I HA 0.206 4.099 4.170 -0.463 0.000 0.305 116 I C -1.155 174.883 176.117 -0.132 0.000 0.988 116 I CA -0.529 60.612 61.300 -0.264 0.000 1.260 116 I CB 1.406 39.222 38.000 -0.306 0.000 1.410 116 I HN 0.131 8.275 8.210 -0.111 0.000 0.523 117 Y N -0.034 120.310 120.300 0.072 0.000 2.677 117 Y HA 0.248 4.862 4.550 0.107 0.000 0.334 117 Y C -2.025 174.004 175.900 0.216 0.000 1.154 117 Y CA -2.570 55.593 58.100 0.106 0.000 1.070 117 Y CB 1.882 40.345 38.460 0.006 0.000 1.294 117 Y HN -0.272 7.386 8.280 -1.038 0.000 0.475 118 N N 1.297 120.161 118.700 0.273 0.000 2.231 118 N HA -0.147 4.545 4.740 -0.080 0.000 0.223 118 N C 0.987 176.532 175.510 0.058 0.000 1.329 118 N CA 0.452 53.548 53.050 0.076 0.000 0.889 118 N CB 1.643 40.169 38.487 0.064 0.000 1.125 118 N HN -0.223 8.337 8.380 0.299 0.000 0.447 119 K N -3.144 117.215 120.400 -0.068 0.000 2.360 119 K HA -0.188 4.130 4.320 -0.004 0.000 0.201 119 K C -0.399 176.258 176.600 0.095 0.000 1.046 119 K CA 1.528 57.808 56.287 -0.012 0.000 0.945 119 K CB -0.197 32.260 32.500 -0.072 0.000 0.750 119 K HN 0.292 8.440 8.250 -0.171 0.000 0.464 120 D N 0.438 120.902 120.400 0.107 0.000 2.249 120 D HA 0.104 4.803 4.640 0.099 0.000 0.246 120 D C 0.568 176.960 176.300 0.154 0.000 1.114 120 D CA -0.422 53.643 54.000 0.109 0.000 0.854 120 D CB 0.474 41.310 40.800 0.061 0.000 1.132 120 D HN -0.653 7.849 8.370 0.086 -0.080 0.461 121 L N 0.337 121.648 121.223 0.147 0.000 2.933 121 L HA 0.191 4.588 4.340 0.095 0.000 0.258 121 L C -0.644 176.219 176.870 -0.012 0.000 1.253 121 L CA -0.006 54.903 54.840 0.115 0.000 1.096 121 L CB -1.172 41.018 42.059 0.218 0.000 1.432 121 L HN 0.429 8.744 8.230 0.141 0.000 0.418 122 L N 3.674 124.879 121.223 -0.031 0.000 2.295 122 L HA 0.394 4.711 4.340 -0.039 0.000 0.288 122 L C -1.381 175.415 176.870 -0.123 0.000 1.079 122 L CA -2.713 52.097 54.840 -0.050 0.000 0.830 122 L CB 0.895 42.945 42.059 -0.015 0.000 1.200 122 L HN -0.191 7.916 8.230 0.006 0.126 0.438 123 P HA 0.231 4.477 4.420 -0.290 0.000 0.273 123 P C -1.412 175.821 177.300 -0.111 0.000 1.428 123 P CA -0.163 62.830 63.100 -0.179 0.000 0.995 123 P CB -0.349 31.264 31.700 -0.145 0.000 1.286 124 N N 4.187 122.827 118.700 -0.100 0.000 2.726 124 N HA 0.179 4.886 4.740 -0.056 0.000 0.253 124 N C -2.316 173.162 175.510 -0.054 0.000 1.530 124 N CA -1.591 51.423 53.050 -0.060 0.000 0.772 124 N CB 0.949 39.413 38.487 -0.038 0.000 1.220 124 N HN 0.139 8.445 8.380 -0.124 0.000 0.508 125 P HA 0.553 4.945 4.420 -0.047 0.000 0.277 125 P C -2.624 174.639 177.300 -0.061 0.000 1.240 125 P CA -1.095 61.971 63.100 -0.057 0.000 0.798 125 P CB 0.061 31.726 31.700 -0.058 0.000 0.979 126 P HA 0.056 4.531 4.420 -0.070 -0.098 0.271 126 P C -0.728 176.525 177.300 -0.079 0.000 1.218 126 P CA -0.410 62.631 63.100 -0.097 0.000 0.780 126 P CB 1.511 33.105 31.700 -0.177 0.000 0.901 127 K N -0.591 119.778 120.400 -0.052 0.000 2.262 127 K HA 0.014 4.316 4.320 -0.031 0.000 0.200 127 K C 0.078 176.669 176.600 -0.015 0.000 1.049 127 K CA 1.056 57.325 56.287 -0.030 0.000 0.979 127 K CB 0.997 33.486 32.500 -0.018 0.000 0.773 127 K HN 0.632 9.268 8.250 -0.043 -0.412 0.474 128 T N -3.334 111.214 114.554 -0.011 0.000 2.770 128 T HA 0.142 4.540 4.350 0.079 0.000 0.323 128 T C -0.560 174.198 174.700 0.097 0.000 1.683 128 T CA -0.675 61.461 62.100 0.060 0.000 1.024 128 T CB 1.061 69.970 68.868 0.068 0.000 1.557 128 T HN -0.862 7.358 8.240 -0.033 0.000 0.494 129 W N 3.036 124.415 121.300 0.132 0.000 2.392 129 W HA -0.319 4.435 4.660 0.156 0.000 0.279 129 W C 1.560 178.262 176.519 0.305 0.000 1.225 129 W CA 3.268 60.737 57.345 0.207 0.000 1.233 129 W CB 0.408 30.022 29.460 0.257 0.000 1.122 129 W HN 0.757 9.241 8.180 0.506 0.000 0.561 130 E N -2.422 118.031 120.200 0.423 0.000 2.418 130 E HA -0.314 4.406 4.350 0.616 0.000 0.197 130 E C 0.927 177.699 176.600 0.288 0.000 1.026 130 E CA 2.040 58.639 56.400 0.331 0.000 0.862 130 E CB -0.885 28.823 29.700 0.013 0.000 0.799 130 E HN -0.257 8.276 8.360 0.333 0.027 0.518 131 E N -1.113 119.204 120.200 0.196 0.000 2.340 131 E HA -0.086 4.332 4.350 0.115 0.000 0.194 131 E C 1.278 177.948 176.600 0.118 0.000 0.996 131 E CA 1.117 57.588 56.400 0.118 0.000 0.869 131 E CB 0.650 30.382 29.700 0.053 0.000 0.835 131 E HN -0.558 7.740 8.360 0.185 0.173 0.493 132 I N 1.070 121.727 120.570 0.144 0.000 2.099 132 I HA -0.246 3.946 4.170 0.037 0.000 0.239 132 I C -0.488 175.722 176.117 0.156 0.000 1.066 132 I CA 4.371 65.738 61.300 0.111 0.000 1.324 132 I CB -3.407 34.665 38.000 0.119 0.000 1.037 132 I HN -0.521 7.692 8.210 0.190 0.111 0.401 133 P HA -0.086 4.458 4.420 0.207 0.000 0.222 133 P C 0.868 178.244 177.300 0.126 0.000 1.147 133 P CA 2.517 65.750 63.100 0.222 0.000 0.790 133 P CB -0.759 31.139 31.700 0.330 0.000 0.780 134 A N -1.862 121.030 122.820 0.120 0.000 1.930 134 A HA -0.094 4.245 4.320 0.032 0.000 0.215 134 A C 2.113 179.721 177.584 0.040 0.000 1.176 134 A CA 2.515 54.590 52.037 0.064 0.000 0.632 134 A CB -0.579 18.465 19.000 0.073 0.000 0.819 134 A HN -0.285 7.824 8.150 0.162 0.138 0.445 135 L N -2.054 119.197 121.223 0.047 0.000 2.179 135 L HA -0.195 4.158 4.340 0.022 0.000 0.208 135 L C 1.170 178.060 176.870 0.033 0.000 1.096 135 L CA 2.140 56.998 54.840 0.031 0.000 0.779 135 L CB -0.033 42.040 42.059 0.023 0.000 0.922 135 L HN 0.269 8.538 8.230 0.066 0.000 0.443 136 D N -0.609 119.821 120.400 0.050 0.000 2.104 136 D HA -0.380 4.293 4.640 0.054 0.000 0.194 136 D C 1.867 178.190 176.300 0.039 0.000 0.994 136 D CA 4.440 58.475 54.000 0.057 0.000 0.830 136 D CB 0.143 40.998 40.800 0.091 0.000 0.959 136 D HN 0.303 8.713 8.370 0.066 0.000 0.452 137 K N -2.988 117.424 120.400 0.020 0.000 2.217 137 K HA -0.286 4.038 4.320 0.006 0.000 0.202 137 K C 2.283 178.885 176.600 0.002 0.000 1.051 137 K CA 2.970 59.256 56.287 -0.001 0.000 0.952 137 K CB -0.439 32.034 32.500 -0.044 0.000 0.736 137 K HN -0.780 7.480 8.250 0.018 0.000 0.453 138 E N 0.026 120.230 120.200 0.006 0.000 2.072 138 E HA -0.216 4.135 4.350 0.002 0.000 0.190 138 E C 2.045 178.652 176.600 0.010 0.000 0.982 138 E CA 2.206 58.610 56.400 0.006 0.000 0.803 138 E CB -0.365 29.339 29.700 0.007 0.000 0.755 138 E HN -0.653 7.587 8.360 0.010 0.126 0.453 139 L N -2.242 118.991 121.223 0.016 0.000 2.156 139 L HA -0.192 4.157 4.340 0.014 0.000 0.208 139 L C 2.516 179.397 176.870 0.019 0.000 1.095 139 L CA 2.236 57.087 54.840 0.018 0.000 0.770 139 L CB 0.008 42.081 42.059 0.023 0.000 0.914 139 L HN 0.257 8.499 8.230 0.019 0.000 0.439 140 K N 0.269 120.681 120.400 0.021 0.000 2.148 140 K HA -0.250 4.235 4.320 0.024 -0.151 0.204 140 K C 2.234 178.843 176.600 0.015 0.000 1.050 140 K CA 2.295 58.595 56.287 0.021 0.000 0.942 140 K CB -0.508 32.007 32.500 0.025 0.000 0.724 140 K HN 0.032 8.296 8.250 0.023 0.000 0.446 141 A N -1.661 121.165 122.820 0.011 0.000 2.172 141 A HA -0.095 4.230 4.320 0.007 0.000 0.216 141 A C 0.584 178.173 177.584 0.008 0.000 1.154 141 A CA 2.381 54.422 52.037 0.007 0.000 0.701 141 A CB -0.386 18.616 19.000 0.004 0.000 0.789 141 A HN -0.274 7.777 8.150 0.010 0.105 0.465 142 K N -5.498 114.908 120.400 0.009 0.000 2.477 142 K HA 0.250 4.575 4.320 0.008 0.000 0.208 142 K C -0.012 176.594 176.600 0.010 0.000 1.117 142 K CA -1.191 55.101 56.287 0.009 0.000 1.039 142 K CB 1.180 33.684 32.500 0.007 0.000 0.937 142 K HN -0.340 7.731 8.250 0.011 0.186 0.570 143 G N -0.991 107.817 108.800 0.013 0.000 2.440 143 G HA2 -0.054 3.914 3.960 0.013 0.000 0.114 143 G HA3 -0.054 3.914 3.960 0.014 0.000 0.114 143 G C -1.854 173.057 174.900 0.019 0.000 0.940 143 G CA 0.455 45.564 45.100 0.015 0.000 1.305 143 G HN -0.158 8.006 8.290 0.014 0.134 0.525 144 K N -0.277 120.137 120.400 0.023 0.000 2.197 144 K HA 0.291 4.629 4.320 0.030 0.000 0.247 144 K C -1.029 175.594 176.600 0.037 0.000 1.077 144 K CA -2.171 54.134 56.287 0.030 0.000 0.882 144 K CB 2.887 35.406 32.500 0.031 0.000 1.396 144 K HN -0.234 8.029 8.250 0.022 0.000 0.482 145 S N -0.968 114.760 115.700 0.048 0.000 2.580 145 S HA -0.203 4.361 4.470 0.058 -0.059 0.266 145 S C 0.741 175.377 174.600 0.060 0.000 1.354 145 S CA 0.353 58.589 58.200 0.059 0.000 1.008 145 S CB 0.926 64.169 63.200 0.072 0.000 0.898 145 S HN 0.018 8.357 8.310 0.048 0.000 0.555 146 A N 0.752 123.610 122.820 0.062 0.000 1.864 146 A HA 0.123 4.471 4.320 0.046 0.000 0.213 146 A C -1.254 176.367 177.584 0.061 0.000 1.266 146 A CA 1.436 53.504 52.037 0.052 0.000 0.612 146 A CB 0.634 19.657 19.000 0.039 0.000 0.940 146 A HN 0.765 9.379 8.150 0.069 -0.422 0.463 147 L N -2.773 118.491 121.223 0.069 0.000 2.381 147 L HA 0.472 5.021 4.340 0.076 -0.163 0.268 147 L C -1.303 175.664 176.870 0.162 0.000 0.997 147 L CA -0.465 54.421 54.840 0.077 0.000 0.818 147 L CB 3.537 45.585 42.059 -0.018 0.000 1.310 147 L HN -0.663 7.612 8.230 0.075 0.000 0.416 148 M N 2.917 122.638 119.600 0.200 0.000 2.501 148 M HA 0.335 4.995 4.480 0.299 0.000 0.293 148 M C -2.247 174.269 176.300 0.359 0.000 1.192 148 M CA -0.301 55.153 55.300 0.256 0.000 0.886 148 M CB 3.772 36.463 32.600 0.152 0.000 1.710 148 M HN 0.167 8.554 8.290 0.163 0.000 0.457 149 F N -2.648 117.319 119.950 0.028 0.000 2.817 149 F HA 0.452 4.909 4.527 -0.116 0.000 0.317 149 F C -2.183 173.565 175.800 -0.086 0.000 1.168 149 F CA -1.743 56.238 58.000 -0.033 0.000 0.911 149 F CB 1.383 40.450 39.000 0.112 0.000 1.337 149 F HN -0.031 8.406 8.300 0.229 0.000 0.464 150 N N 0.092 118.633 118.700 -0.265 0.000 2.671 150 N HA -0.097 4.394 4.740 -0.278 0.082 0.274 150 N C 0.628 175.847 175.510 -0.486 0.000 1.188 150 N CA -0.065 52.763 53.050 -0.370 0.000 1.065 150 N CB -1.435 36.787 38.487 -0.440 0.000 1.415 150 N HN 0.245 8.493 8.380 -0.219 0.000 0.511 151 L N 0.155 120.930 121.223 -0.746 0.000 2.376 151 L HA -0.167 3.656 4.340 -0.862 0.000 0.219 151 L C 0.755 177.456 176.870 -0.281 0.000 1.133 151 L CA 1.740 56.151 54.840 -0.714 0.000 0.816 151 L CB -0.438 41.223 42.059 -0.664 0.000 0.933 151 L HN -0.521 7.286 8.230 -0.669 0.022 0.449 152 Q N -5.513 114.174 119.800 -0.189 0.000 2.436 152 Q HA -0.200 4.088 4.340 -0.087 0.000 0.209 152 Q C -0.463 175.538 176.000 0.003 0.000 0.965 152 Q CA 0.546 56.304 55.803 -0.076 0.000 0.910 152 Q CB -0.001 28.717 28.738 -0.033 0.000 0.980 152 Q HN 0.204 8.277 8.270 -0.225 0.062 0.491 153 E N -3.312 116.918 120.200 0.049 0.000 2.299 153 E HA 0.350 4.801 4.350 0.168 0.000 0.265 153 E C -1.056 175.684 176.600 0.232 0.000 0.911 153 E CA -3.419 53.090 56.400 0.181 0.000 0.789 153 E CB 0.606 30.460 29.700 0.258 0.000 1.246 153 E HN -0.981 7.356 8.360 0.008 0.028 0.427 154 P HA 0.182 4.677 4.420 0.126 0.000 0.222 154 P C 0.596 178.200 177.300 0.505 0.000 1.153 154 P CA 1.380 64.630 63.100 0.250 0.000 0.798 154 P CB 0.383 32.212 31.700 0.215 0.000 0.796 155 Y N -4.140 116.445 120.300 0.475 0.000 2.165 155 Y HA -0.320 4.627 4.550 0.662 0.000 0.286 155 Y C 0.714 176.910 175.900 0.495 0.000 1.155 155 Y CA 2.920 61.277 58.100 0.430 0.000 1.164 155 Y CB -0.758 37.744 38.460 0.069 0.000 0.978 155 Y HN -0.308 8.254 8.280 0.469 0.000 0.513 156 F N -6.602 113.579 119.950 0.385 0.000 2.473 156 F HA 0.014 4.702 4.527 0.268 0.000 0.294 156 F C 0.863 176.826 175.800 0.273 0.000 1.103 156 F CA 1.280 59.467 58.000 0.313 0.000 1.442 156 F CB 1.273 40.490 39.000 0.362 0.000 1.097 156 F HN -0.636 8.153 8.300 0.814 0.000 0.547 157 T N -2.767 112.032 114.554 0.407 0.000 3.081 157 T HA -0.139 4.303 4.350 0.154 0.000 0.255 157 T C 1.406 176.102 174.700 -0.006 0.000 1.113 157 T CA 1.925 64.119 62.100 0.157 0.000 1.082 157 T CB 0.243 69.149 68.868 0.064 0.000 0.939 157 T HN -0.675 7.740 8.240 0.440 0.089 0.506 158 W N 3.215 124.556 121.300 0.068 0.000 2.354 158 W HA -0.112 4.523 4.660 -0.043 0.000 0.315 158 W C -1.223 175.247 176.519 -0.081 0.000 1.206 158 W CA 4.741 62.090 57.345 0.006 0.000 1.290 158 W CB -1.917 27.613 29.460 0.117 0.000 1.152 158 W HN 0.061 8.466 8.180 0.430 0.033 0.489 159 P HA -0.142 4.307 4.420 0.048 0.000 0.231 159 P C -0.748 176.487 177.300 -0.108 0.000 1.158 159 P CA 1.632 64.745 63.100 0.023 0.000 0.763 159 P CB -0.704 30.986 31.700 -0.018 0.000 0.805 160 L N -2.895 118.190 121.223 -0.231 0.000 2.013 160 L HA -0.153 3.819 4.340 -0.614 0.000 0.204 160 L C 2.385 179.000 176.870 -0.424 0.000 1.081 160 L CA 2.592 57.144 54.840 -0.481 0.000 0.751 160 L CB -0.393 41.312 42.059 -0.591 0.000 0.901 160 L HN -0.602 7.340 8.230 -0.159 0.192 0.440 161 I N -2.721 117.613 120.570 -0.393 0.000 2.493 161 I HA -0.323 3.562 4.170 -0.475 0.000 0.254 161 I C 1.485 177.470 176.117 -0.219 0.000 1.160 161 I CA 2.518 63.589 61.300 -0.382 0.000 1.445 161 I CB -1.720 36.026 38.000 -0.423 0.000 1.086 161 I HN -0.763 7.218 8.210 -0.382 0.000 0.433 162 A N -0.706 122.055 122.820 -0.097 0.000 2.125 162 A HA -0.314 4.204 4.320 0.110 -0.132 0.219 162 A C 0.894 178.504 177.584 0.044 0.000 1.156 162 A CA 2.261 54.340 52.037 0.070 0.000 0.671 162 A CB -0.684 18.443 19.000 0.212 0.000 0.794 162 A HN -0.237 7.823 8.150 -0.107 0.025 0.459 163 A N -2.664 120.151 122.820 -0.008 0.000 1.873 163 A HA -0.248 4.245 4.320 0.067 -0.133 0.215 163 A C 1.464 179.120 177.584 0.119 0.000 1.186 163 A CA 2.302 54.376 52.037 0.062 0.000 0.616 163 A CB -0.570 18.485 19.000 0.093 0.000 0.823 163 A HN -0.649 7.394 8.150 -0.092 0.051 0.442 164 D N -3.124 117.344 120.400 0.114 0.000 2.178 164 D HA -0.269 4.745 4.640 0.251 -0.223 0.201 164 D C 1.285 177.645 176.300 0.100 0.000 0.980 164 D CA 1.791 55.892 54.000 0.168 0.000 0.842 164 D CB 0.710 41.599 40.800 0.149 0.000 0.948 164 D HN -0.524 7.835 8.370 -0.018 0.000 0.472 165 G N -2.559 106.291 108.800 0.083 0.000 3.658 165 G HA2 -0.090 3.947 3.960 0.128 0.000 0.220 165 G HA3 -0.090 3.939 3.960 0.114 0.000 0.220 165 G C -0.336 174.678 174.900 0.189 0.000 0.917 165 G CA -0.301 44.873 45.100 0.123 0.000 0.865 165 G HN -0.710 7.511 8.290 0.055 0.102 0.652 166 G N 1.016 109.883 108.800 0.112 0.000 2.484 166 G HA2 -0.037 4.049 3.960 0.022 0.000 0.235 166 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.235 166 G C -1.601 173.542 174.900 0.405 0.000 1.282 166 G CA 0.207 45.380 45.100 0.123 0.000 0.857 166 G HN -0.694 7.616 8.290 0.034 0.000 0.571 167 Y N -1.023 119.488 120.300 0.352 0.000 2.519 167 Y HA 0.324 4.994 4.550 0.200 0.000 0.336 167 Y C -1.534 174.410 175.900 0.074 0.000 1.089 167 Y CA -1.769 56.457 58.100 0.210 0.000 1.025 167 Y CB 1.235 39.747 38.460 0.087 0.000 1.318 167 Y HN -0.684 7.568 8.280 -0.048 0.000 0.452 168 A N 1.755 124.415 122.820 -0.266 0.000 1.825 168 A HA -0.203 3.816 4.320 -0.501 0.000 0.214 168 A C -0.734 176.550 177.584 -0.500 0.000 1.206 168 A CA 2.438 54.096 52.037 -0.632 0.000 0.609 168 A CB 0.434 18.816 19.000 -1.030 0.000 0.851 168 A HN 0.698 8.677 8.150 -0.284 0.000 0.445 169 F N -6.044 113.926 119.950 0.034 0.000 2.578 169 F HA 0.531 5.305 4.527 0.099 -0.188 0.311 169 F C -0.789 175.161 175.800 0.250 0.000 1.094 169 F CA -1.623 56.441 58.000 0.106 0.000 0.923 169 F CB 3.642 42.636 39.000 -0.010 0.000 1.230 169 F HN -0.645 7.749 8.300 0.157 0.000 0.450 170 K N 2.673 123.312 120.400 0.399 0.000 2.270 170 K HA 0.037 4.433 4.320 0.127 0.000 0.276 170 K C -2.037 174.769 176.600 0.344 0.000 1.023 170 K CA -0.608 55.818 56.287 0.231 0.000 0.955 170 K CB 1.273 33.848 32.500 0.126 0.000 0.975 170 K HN 0.061 8.534 8.250 0.372 0.000 0.471 171 Y N 5.150 125.563 120.300 0.187 0.000 2.344 171 Y HA 0.339 5.242 4.550 0.370 -0.131 0.328 171 Y C -1.014 174.947 175.900 0.101 0.000 1.067 171 Y CA -2.470 55.781 58.100 0.251 0.000 1.247 171 Y CB 1.290 39.884 38.460 0.223 0.000 1.113 171 Y HN 0.198 8.638 8.280 0.267 0.000 0.465 172 E N 4.639 125.075 120.200 0.393 0.000 2.816 172 E HA 0.002 4.408 4.350 0.093 0.000 0.260 172 E C 1.169 177.844 176.600 0.124 0.000 1.414 172 E CA -0.459 56.051 56.400 0.183 0.000 1.074 172 E CB 1.502 31.293 29.700 0.151 0.000 1.123 172 E HN 0.535 9.172 8.360 0.461 0.000 0.664 173 N N 0.500 119.239 118.700 0.066 0.000 2.585 173 N HA -0.211 4.520 4.740 -0.015 0.000 0.213 173 N C -0.470 175.095 175.510 0.092 0.000 1.385 173 N CA 1.022 54.098 53.050 0.044 0.000 0.871 173 N CB -1.538 36.985 38.487 0.059 0.000 1.154 173 N HN 0.393 8.811 8.380 0.063 0.000 0.474 174 G N -2.796 106.104 108.800 0.167 0.000 2.559 174 G HA2 -0.213 3.920 3.960 0.289 0.000 0.202 174 G HA3 -0.213 3.852 3.960 0.176 0.000 0.202 174 G C -1.714 173.391 174.900 0.343 0.000 0.992 174 G CA -0.065 45.190 45.100 0.258 0.000 0.764 174 G HN 0.071 8.352 8.290 0.200 0.129 0.525 175 K N 1.189 121.795 120.400 0.343 0.000 2.274 175 K HA 0.409 4.837 4.320 0.181 0.000 0.262 175 K C -2.044 174.720 176.600 0.274 0.000 0.961 175 K CA -0.978 55.450 56.287 0.235 0.000 0.833 175 K CB 1.766 34.349 32.500 0.139 0.000 1.102 175 K HN -0.457 7.894 8.250 0.340 0.102 0.436 176 Y N 4.865 125.092 120.300 -0.121 0.000 2.524 176 Y HA 0.298 4.672 4.550 -0.292 0.000 0.344 176 Y C -1.386 174.389 175.900 -0.208 0.000 1.012 176 Y CA -1.911 55.978 58.100 -0.352 0.000 1.068 176 Y CB 3.172 41.144 38.460 -0.814 0.000 1.249 176 Y HN 0.344 8.682 8.280 0.098 0.000 0.468 177 D N 3.820 123.741 120.400 -0.798 0.000 2.622 177 D HA 0.284 4.600 4.640 -0.541 0.000 0.255 177 D C -1.087 174.690 176.300 -0.871 0.000 1.246 177 D CA -0.698 52.929 54.000 -0.622 0.000 0.795 177 D CB 2.978 43.628 40.800 -0.249 0.000 1.369 177 D HN -0.192 7.484 8.370 -1.156 0.000 0.425 178 I N -8.390 111.846 120.570 -0.557 0.000 4.154 178 I HA 0.090 3.940 4.170 -0.534 0.000 0.334 178 I C -0.490 175.653 176.117 0.043 0.000 1.371 178 I CA -0.065 60.985 61.300 -0.416 0.000 1.110 178 I CB 0.540 38.202 38.000 -0.564 0.000 1.085 178 I HN -0.143 7.830 8.210 -0.394 0.000 0.398 179 K N 0.659 121.047 120.400 -0.021 0.000 2.167 179 K HA -0.108 4.242 4.320 0.050 0.000 0.203 179 K C -0.097 176.553 176.600 0.082 0.000 1.052 179 K CA 1.393 57.701 56.287 0.034 0.000 0.956 179 K CB 0.045 32.542 32.500 -0.006 0.000 0.735 179 K HN -0.339 7.788 8.250 -0.115 0.054 0.451 180 D N -0.529 119.940 120.400 0.114 0.000 2.494 180 D HA 0.057 4.775 4.640 0.129 0.000 0.217 180 D C -1.893 174.534 176.300 0.212 0.000 1.153 180 D CA -0.078 54.025 54.000 0.173 0.000 0.954 180 D CB -0.737 40.185 40.800 0.204 0.000 1.034 180 D HN -0.050 8.369 8.370 0.082 0.000 0.518 181 V N 4.758 124.706 119.914 0.057 0.000 2.328 181 V HA 0.307 4.532 4.120 -0.157 -0.199 0.278 181 V C 0.298 176.224 176.094 -0.279 0.000 1.021 181 V CA -1.213 61.019 62.300 -0.115 0.000 0.838 181 V CB 0.741 32.504 31.823 -0.099 0.000 0.999 181 V HN -0.606 7.613 8.190 0.049 0.000 0.447 182 G N 7.082 115.462 108.800 -0.701 0.000 3.332 182 G HA2 0.012 3.702 3.960 -0.714 0.000 0.242 182 G HA3 0.012 2.773 3.960 -2.051 -0.032 0.242 182 G C 0.292 174.964 174.900 -0.380 0.000 1.276 182 G CA 0.561 45.075 45.100 -0.976 0.000 0.988 182 G HN -0.030 7.790 8.290 -0.784 0.000 0.517 183 V N 1.641 121.444 119.914 -0.185 0.000 2.255 183 V HA -0.246 3.810 4.120 -0.108 0.000 0.243 183 V C 0.690 176.690 176.094 -0.157 0.000 1.038 183 V CA 3.155 65.385 62.300 -0.116 0.000 1.008 183 V CB 0.414 32.194 31.823 -0.071 0.000 0.645 183 V HN -0.933 7.030 8.190 -0.191 0.112 0.449 184 D N -0.692 119.631 120.400 -0.128 0.000 2.934 184 D HA -0.037 4.538 4.640 -0.107 0.000 0.237 184 D C -1.457 174.786 176.300 -0.095 0.000 1.158 184 D CA -0.115 53.824 54.000 -0.102 0.000 0.971 184 D CB -1.054 39.703 40.800 -0.073 0.000 1.123 184 D HN 0.124 8.423 8.370 -0.118 0.000 0.467 185 N N 0.637 119.270 118.700 -0.112 0.000 2.238 185 N HA 0.159 4.866 4.740 -0.054 0.000 0.302 185 N C 0.178 175.646 175.510 -0.071 0.000 1.072 185 N CA -1.040 51.962 53.050 -0.081 0.000 0.792 185 N CB 2.621 41.053 38.487 -0.091 0.000 1.425 185 N HN -0.321 7.894 8.380 -0.138 0.083 0.478 186 A N 2.992 125.789 122.820 -0.039 0.000 1.986 186 A HA -0.341 3.954 4.320 -0.041 0.000 0.220 186 A C 1.397 178.961 177.584 -0.033 0.000 1.171 186 A CA 3.117 55.136 52.037 -0.031 0.000 0.640 186 A CB -0.618 18.377 19.000 -0.009 0.000 0.811 186 A HN 0.641 8.777 8.150 -0.025 0.000 0.451 187 G N -2.767 106.020 108.800 -0.022 0.000 2.422 187 G HA2 -0.282 3.847 3.960 0.011 0.000 0.218 187 G HA3 -0.282 3.684 3.960 0.010 0.000 0.218 187 G C 0.964 175.811 174.900 -0.088 0.000 1.146 187 G CA 1.417 46.507 45.100 -0.017 0.000 0.769 187 G HN 0.336 8.605 8.290 -0.009 0.016 0.547 188 A N 2.840 125.577 122.820 -0.139 0.000 1.858 188 A HA -0.402 3.738 4.320 -0.299 0.000 0.216 188 A C 1.725 179.172 177.584 -0.229 0.000 1.190 188 A CA 3.066 54.954 52.037 -0.248 0.000 0.617 188 A CB -0.424 18.396 19.000 -0.300 0.000 0.827 188 A HN -0.303 7.778 8.150 -0.116 0.000 0.443 189 K N -2.151 118.151 120.400 -0.164 0.000 2.097 189 K HA -0.353 3.875 4.320 -0.154 0.000 0.206 189 K C 2.057 178.600 176.600 -0.096 0.000 1.049 189 K CA 2.723 58.932 56.287 -0.130 0.000 0.933 189 K CB -0.356 32.087 32.500 -0.095 0.000 0.717 189 K HN -0.753 7.412 8.250 -0.143 0.000 0.442 190 A N -0.361 122.420 122.820 -0.065 0.000 1.873 190 A HA -0.257 4.075 4.320 0.019 0.000 0.218 190 A C 2.479 180.039 177.584 -0.040 0.000 1.193 190 A CA 2.951 54.985 52.037 -0.006 0.000 0.629 190 A CB -0.914 18.114 19.000 0.047 0.000 0.826 190 A HN 0.260 8.370 8.150 -0.066 0.000 0.447 191 G N -3.087 105.593 108.800 -0.201 0.000 2.448 191 G HA2 -0.160 3.405 3.960 -0.659 0.000 0.218 191 G HA3 -0.160 3.417 3.960 -0.639 0.000 0.218 191 G C 1.087 175.823 174.900 -0.274 0.000 1.135 191 G CA 1.160 45.981 45.100 -0.464 0.000 0.784 191 G HN -0.557 7.620 8.290 -0.188 0.000 0.543 192 L N 1.068 122.160 121.223 -0.219 0.000 2.109 192 L HA -0.165 4.045 4.340 -0.217 0.000 0.207 192 L C 1.562 178.369 176.870 -0.105 0.000 1.086 192 L CA 2.155 56.882 54.840 -0.189 0.000 0.760 192 L CB -0.312 41.617 42.059 -0.218 0.000 0.910 192 L HN -0.219 7.778 8.230 -0.222 0.099 0.437 193 T N -0.101 114.422 114.554 -0.051 0.000 3.007 193 T HA -0.310 4.017 4.350 -0.038 0.000 0.270 193 T C 1.422 176.166 174.700 0.074 0.000 1.107 193 T CA 3.424 65.523 62.100 -0.003 0.000 1.118 193 T CB -0.208 68.666 68.868 0.010 0.000 0.889 193 T HN 0.286 8.491 8.240 -0.059 0.000 0.506 194 F N 2.629 122.542 119.950 -0.062 0.000 2.084 194 F HA -0.283 4.263 4.527 0.032 0.000 0.296 194 F C 1.048 176.833 175.800 -0.024 0.000 1.111 194 F CA 2.433 60.429 58.000 -0.008 0.000 1.224 194 F CB -0.316 38.697 39.000 0.022 0.000 0.991 194 F HN -0.797 7.454 8.300 0.155 0.143 0.471 195 L N -1.610 119.470 121.223 -0.238 0.000 2.013 195 L HA -0.400 3.676 4.340 -0.439 0.000 0.212 195 L C 1.657 178.378 176.870 -0.248 0.000 1.073 195 L CA 3.222 57.879 54.840 -0.305 0.000 0.753 195 L CB -0.231 41.715 42.059 -0.189 0.000 0.890 195 L HN -0.664 7.512 8.230 -0.090 0.000 0.432 196 V N -2.197 117.620 119.914 -0.161 0.000 2.626 196 V HA -0.486 3.551 4.120 -0.139 0.000 0.252 196 V C 1.660 177.683 176.094 -0.117 0.000 1.067 196 V CA 4.553 66.776 62.300 -0.127 0.000 1.081 196 V CB -0.485 31.282 31.823 -0.092 0.000 0.686 196 V HN -0.640 7.472 8.190 -0.131 0.000 0.468 197 D N -0.758 119.585 120.400 -0.097 0.000 2.178 197 D HA -0.222 4.403 4.640 -0.024 0.000 0.202 197 D C 1.868 178.096 176.300 -0.120 0.000 0.974 197 D CA 3.054 57.026 54.000 -0.047 0.000 0.841 197 D CB 0.147 40.992 40.800 0.074 0.000 0.953 197 D HN -0.256 7.926 8.370 -0.084 0.137 0.478 198 L N -1.647 119.413 121.223 -0.271 0.000 2.068 198 L HA -0.259 3.736 4.340 -0.575 0.000 0.204 198 L C 1.837 178.450 176.870 -0.429 0.000 1.076 198 L CA 2.527 57.055 54.840 -0.519 0.000 0.753 198 L CB 0.035 41.717 42.059 -0.627 0.000 0.910 198 L HN -0.878 7.147 8.230 -0.304 0.023 0.439 199 I N -1.445 118.957 120.570 -0.279 0.000 2.264 199 I HA -0.500 3.556 4.170 -0.191 0.000 0.248 199 I C 3.125 179.165 176.117 -0.128 0.000 1.111 199 I CA 3.628 64.816 61.300 -0.186 0.000 1.382 199 I CB -0.391 37.518 38.000 -0.151 0.000 1.060 199 I HN -0.614 7.435 8.210 -0.269 0.000 0.418 200 K N -0.046 120.289 120.400 -0.108 0.000 2.074 200 K HA -0.434 3.854 4.320 -0.053 0.000 0.209 200 K C 1.577 178.153 176.600 -0.040 0.000 1.048 200 K CA 4.147 60.398 56.287 -0.060 0.000 0.926 200 K CB -0.206 32.270 32.500 -0.041 0.000 0.713 200 K HN 0.379 8.541 8.250 -0.126 0.012 0.444 201 N N -4.462 114.212 118.700 -0.043 0.000 2.336 201 N HA -0.006 4.747 4.740 0.021 0.000 0.189 201 N C -0.709 174.807 175.510 0.011 0.000 1.113 201 N CA 0.512 53.569 53.050 0.011 0.000 0.858 201 N CB 0.245 38.784 38.487 0.086 0.000 0.970 201 N HN -0.553 7.766 8.380 -0.086 0.010 0.471 202 K N -6.553 113.819 120.400 -0.047 0.000 3.363 202 K HA -0.387 3.944 4.320 -0.070 -0.053 0.313 202 K C 0.282 176.892 176.600 0.017 0.000 1.259 202 K CA 1.571 57.838 56.287 -0.033 0.000 0.942 202 K CB -2.634 29.861 32.500 -0.009 0.000 1.229 202 K HN -0.035 7.943 8.250 -0.089 0.218 0.440 203 H N -5.084 113.982 119.070 -0.007 0.000 2.457 203 H HA -0.169 4.389 4.556 0.004 0.000 0.294 203 H C -0.115 175.212 175.328 -0.001 0.000 1.064 203 H CA 0.928 56.977 56.048 0.001 0.000 1.330 203 H CB 0.173 29.940 29.762 0.009 0.000 1.395 203 H HN -0.381 7.831 8.280 0.018 0.079 0.541 204 M N 0.482 120.010 119.600 -0.120 0.000 2.342 204 M HA 0.135 4.679 4.480 0.106 0.000 0.332 204 M C -0.930 175.345 176.300 -0.041 0.000 1.166 204 M CA -0.853 54.409 55.300 -0.063 0.000 1.086 204 M CB 1.648 34.102 32.600 -0.242 0.000 1.541 204 M HN -0.723 7.320 8.290 -0.365 0.028 0.462 205 N N 3.076 121.771 118.700 -0.008 0.000 2.549 205 N HA -0.067 4.667 4.740 -0.010 0.000 0.267 205 N C 0.177 175.652 175.510 -0.060 0.000 1.182 205 N CA 0.591 53.631 53.050 -0.016 0.000 1.019 205 N CB -1.165 37.326 38.487 0.008 0.000 1.380 205 N HN 0.422 8.816 8.380 0.023 0.000 0.505 206 A N 1.688 124.465 122.820 -0.071 0.000 2.206 206 A HA -0.121 4.127 4.320 -0.120 0.000 0.211 206 A C -0.533 177.004 177.584 -0.078 0.000 1.158 206 A CA 1.438 53.420 52.037 -0.092 0.000 0.761 206 A CB -0.050 18.898 19.000 -0.085 0.000 0.801 206 A HN -0.122 7.994 8.150 -0.056 0.000 0.473 207 D N -4.222 116.145 120.400 -0.055 0.000 2.395 207 D HA 0.085 4.700 4.640 -0.042 0.000 0.213 207 D C -0.481 175.798 176.300 -0.035 0.000 1.110 207 D CA 0.064 54.041 54.000 -0.039 0.000 0.835 207 D CB 0.065 40.852 40.800 -0.022 0.000 0.965 207 D HN -0.150 8.131 8.370 -0.045 0.062 0.505 208 T N 3.591 118.112 114.554 -0.055 0.000 2.780 208 T HA -0.031 4.311 4.350 -0.014 0.000 0.294 208 T C -1.605 173.046 174.700 -0.082 0.000 0.949 208 T CA 1.259 63.330 62.100 -0.049 0.000 1.074 208 T CB 0.771 69.611 68.868 -0.047 0.000 0.910 208 T HN -0.739 7.397 8.240 -0.075 0.059 0.501 209 D N 5.063 125.446 120.400 -0.028 0.000 2.689 209 D HA 0.115 4.709 4.640 -0.076 0.000 0.255 209 D C -0.354 175.971 176.300 0.042 0.000 1.113 209 D CA -1.869 52.129 54.000 -0.004 0.000 1.115 209 D CB 2.108 42.949 40.800 0.068 0.000 1.334 209 D HN -0.147 8.230 8.370 0.011 0.000 0.621 210 Y N 0.142 120.388 120.300 -0.090 0.000 2.081 210 Y HA -0.496 3.905 4.550 -0.248 0.000 0.280 210 Y C 1.370 177.274 175.900 0.008 0.000 1.163 210 Y CA 3.750 61.763 58.100 -0.145 0.000 1.135 210 Y CB 0.305 38.588 38.460 -0.294 0.000 0.970 210 Y HN 0.517 8.913 8.280 0.194 0.000 0.498 211 S N -1.788 114.166 115.700 0.423 0.000 2.353 211 S HA -0.420 4.282 4.470 0.388 0.000 0.222 211 S C 2.108 176.820 174.600 0.187 0.000 1.035 211 S CA 3.955 62.339 58.200 0.307 0.000 1.025 211 S CB -0.134 63.191 63.200 0.209 0.000 0.902 211 S HN -0.466 8.488 8.310 0.406 -0.400 0.440 212 I N 0.317 120.963 120.570 0.127 0.000 2.202 212 I HA -0.352 3.868 4.170 0.084 0.000 0.242 212 I C 1.898 178.065 176.117 0.083 0.000 1.091 212 I CA 1.702 63.053 61.300 0.085 0.000 1.368 212 I CB -1.158 36.874 38.000 0.053 0.000 1.058 212 I HN -0.352 8.227 8.210 0.126 -0.293 0.410 213 A N -0.054 122.803 122.820 0.061 0.000 1.873 213 A HA -0.339 4.026 4.320 0.076 0.000 0.215 213 A C 1.960 179.583 177.584 0.066 0.000 1.186 213 A CA 3.223 55.289 52.037 0.048 0.000 0.616 213 A CB -0.842 18.150 19.000 -0.013 0.000 0.823 213 A HN 0.345 8.525 8.150 0.050 0.000 0.442 214 E N -0.568 119.657 120.200 0.042 0.000 2.038 214 E HA -0.369 3.985 4.350 0.007 0.000 0.195 214 E C 2.121 178.825 176.600 0.173 0.000 1.000 214 E CA 2.784 59.230 56.400 0.077 0.000 0.803 214 E CB -0.310 29.473 29.700 0.137 0.000 0.750 214 E HN 0.129 8.407 8.360 0.043 0.109 0.448 215 A N -1.114 121.799 122.820 0.156 0.000 1.859 215 A HA -0.319 4.082 4.320 0.135 0.000 0.217 215 A C 2.096 179.754 177.584 0.123 0.000 1.198 215 A CA 3.158 55.275 52.037 0.133 0.000 0.629 215 A CB -0.939 18.126 19.000 0.109 0.000 0.830 215 A HN -0.423 7.822 8.150 0.157 0.000 0.446 216 A N -1.852 121.040 122.820 0.119 0.000 1.940 216 A HA -0.302 4.061 4.320 0.072 0.000 0.219 216 A C 1.527 179.187 177.584 0.127 0.000 1.176 216 A CA 2.842 54.941 52.037 0.104 0.000 0.631 216 A CB -0.774 18.286 19.000 0.099 0.000 0.814 216 A HN -0.324 7.895 8.150 0.114 0.000 0.446 217 F N -0.624 119.340 119.950 0.023 0.000 2.146 217 F HA -0.255 4.281 4.527 0.015 0.000 0.298 217 F C 2.384 178.194 175.800 0.017 0.000 1.096 217 F CA 3.021 61.030 58.000 0.014 0.000 1.275 217 F CB 0.568 39.569 39.000 0.001 0.000 1.008 217 F HN -0.437 7.937 8.300 0.294 0.102 0.480 218 N N -0.009 118.776 118.700 0.141 0.000 2.104 218 N HA -0.339 4.404 4.740 0.005 0.000 0.190 218 N C 1.455 176.933 175.510 -0.053 0.000 1.024 218 N CA 2.735 55.810 53.050 0.041 0.000 0.853 218 N CB 0.196 38.752 38.487 0.115 0.000 1.008 218 N HN -0.045 8.420 8.380 0.262 0.073 0.424 219 K N -3.607 116.780 120.400 -0.022 0.000 2.283 219 K HA -0.121 4.186 4.320 -0.021 0.000 0.202 219 K C 0.605 177.159 176.600 -0.077 0.000 1.048 219 K CA -0.462 55.807 56.287 -0.029 0.000 0.948 219 K CB -0.028 32.474 32.500 0.004 0.000 0.742 219 K HN 0.014 8.199 8.250 0.027 0.081 0.458 220 G N -2.510 106.198 108.800 -0.154 0.000 2.141 220 G HA2 -0.289 3.525 3.960 -0.339 0.000 0.242 220 G HA3 -0.289 3.582 3.960 -0.149 0.000 0.242 220 G C 0.234 175.075 174.900 -0.099 0.000 0.982 220 G CA 0.576 45.562 45.100 -0.190 0.000 0.662 220 G HN -0.263 7.740 8.290 -0.188 0.174 0.527 221 E N -0.974 119.198 120.200 -0.046 0.000 2.051 221 E HA -0.056 4.291 4.350 -0.005 0.000 0.189 221 E C 0.572 177.188 176.600 0.026 0.000 0.979 221 E CA 1.051 57.451 56.400 -0.000 0.000 0.803 221 E CB 0.459 30.172 29.700 0.021 0.000 0.761 221 E HN -0.174 8.117 8.360 -0.040 0.044 0.451 222 T N -2.089 112.503 114.554 0.064 0.000 2.793 222 T HA -0.200 4.208 4.350 0.096 0.000 0.289 222 T C 0.302 175.071 174.700 0.114 0.000 0.956 222 T CA 0.222 62.393 62.100 0.118 0.000 1.177 222 T CB 0.909 69.898 68.868 0.201 0.000 0.897 222 T HN -0.808 7.473 8.240 0.068 0.000 0.533 223 A N 5.645 128.519 122.820 0.090 0.000 2.125 223 A HA -0.185 4.176 4.320 0.069 0.000 0.219 223 A C -0.805 176.859 177.584 0.133 0.000 1.156 223 A CA 1.777 53.865 52.037 0.085 0.000 0.671 223 A CB 0.284 19.319 19.000 0.058 0.000 0.794 223 A HN 0.207 8.403 8.150 0.077 0.000 0.459 224 M N -9.225 110.468 119.600 0.155 0.000 2.773 224 M HA 0.307 4.917 4.480 0.217 0.000 0.270 224 M C -2.008 174.371 176.300 0.131 0.000 1.238 224 M CA -0.300 55.091 55.300 0.152 0.000 0.832 224 M CB 3.907 36.541 32.600 0.058 0.000 1.672 224 M HN -0.767 7.564 8.290 0.147 0.047 0.480 225 T N -0.676 113.884 114.554 0.010 0.000 2.739 225 T HA 0.480 4.814 4.350 -0.028 0.000 0.303 225 T C -2.324 172.286 174.700 -0.149 0.000 1.389 225 T CA -0.873 61.163 62.100 -0.108 0.000 1.001 225 T CB 2.782 71.438 68.868 -0.353 0.000 1.436 225 T HN -0.158 8.073 8.240 -0.015 0.000 0.500 226 I N -0.410 120.106 120.570 -0.091 0.000 2.828 226 I HA 0.231 4.342 4.170 -0.098 0.000 0.302 226 I C -2.680 173.481 176.117 0.072 0.000 1.101 226 I CA -0.752 60.527 61.300 -0.035 0.000 1.031 226 I CB 2.261 40.261 38.000 -0.001 0.000 1.231 226 I HN 0.412 8.602 8.210 -0.033 0.000 0.427 227 N N 3.590 122.283 118.700 -0.011 0.000 3.039 227 N HA 0.105 5.059 4.740 0.358 0.000 0.257 227 N C -0.935 174.504 175.510 -0.118 0.000 1.497 227 N CA -0.682 52.399 53.050 0.050 0.000 0.861 227 N CB 2.529 41.013 38.487 -0.005 0.000 1.479 227 N HN 0.075 8.401 8.380 -0.091 0.000 0.547 228 G N -1.121 107.655 108.800 -0.039 0.000 2.535 228 G HA2 -0.086 3.863 3.960 -0.018 0.000 0.095 228 G HA3 -0.086 3.763 3.960 -0.184 0.000 0.095 228 G C -2.757 172.079 174.900 -0.107 0.000 2.409 228 G CA 0.434 45.479 45.100 -0.092 0.000 1.254 228 G HN 0.029 8.393 8.290 0.124 0.000 0.367 229 P HA 0.072 4.239 4.420 -0.422 0.000 0.272 229 P C -1.027 176.333 177.300 0.100 0.000 1.240 229 P CA -0.537 62.477 63.100 -0.143 0.000 0.791 229 P CB 0.548 32.282 31.700 0.056 0.000 0.978 230 W N -0.580 120.728 121.300 0.014 0.000 2.336 230 W HA 0.273 4.890 4.660 -0.071 0.000 0.315 230 W C -1.384 174.899 176.519 -0.394 0.000 1.016 230 W CA -2.176 55.110 57.345 -0.099 0.000 1.318 230 W CB -1.367 28.074 29.460 -0.030 0.000 1.247 230 W HN 0.199 8.297 8.180 -0.136 0.000 0.414 231 A N 3.573 126.084 122.820 -0.514 0.000 1.859 231 A HA -0.014 2.724 4.320 -2.637 0.000 0.212 231 A C -0.575 176.729 177.584 -0.466 0.000 1.238 231 A CA 0.662 51.890 52.037 -1.349 0.000 0.613 231 A CB 0.211 18.401 19.000 -1.350 0.000 0.904 231 A HN 0.188 8.165 8.150 -0.288 0.000 0.457 232 W N -3.090 118.039 121.300 -0.284 0.000 2.112 232 W HA 0.016 4.581 4.660 -0.159 0.000 0.349 232 W C 1.177 177.629 176.519 -0.112 0.000 1.289 232 W CA -2.400 54.838 57.345 -0.178 0.000 1.256 232 W CB -0.040 29.297 29.460 -0.205 0.000 1.148 232 W HN -0.667 7.285 8.180 -0.381 0.000 0.590 233 S N 0.697 116.484 115.700 0.144 0.000 2.555 233 S HA -0.142 4.371 4.470 0.071 0.000 0.230 233 S C -0.386 174.224 174.600 0.018 0.000 0.978 233 S CA 1.685 59.924 58.200 0.065 0.000 0.934 233 S CB -0.301 62.923 63.200 0.039 0.000 0.766 233 S HN -0.015 8.375 8.310 0.133 0.000 0.533 234 N N -1.741 116.986 118.700 0.045 0.000 2.710 234 N HA 0.059 4.748 4.740 -0.084 0.000 0.257 234 N C -1.952 173.598 175.510 0.068 0.000 1.327 234 N CA -0.402 52.644 53.050 -0.007 0.000 0.861 234 N CB 1.799 40.272 38.487 -0.022 0.000 1.532 234 N HN -0.590 7.807 8.380 0.141 0.068 0.499 235 I N 0.553 121.130 120.570 0.011 0.000 2.493 235 I HA 0.220 4.496 4.170 0.177 0.000 0.298 235 I C -0.652 175.514 176.117 0.083 0.000 0.998 235 I CA -0.828 60.521 61.300 0.081 0.000 1.137 235 I CB 1.852 39.862 38.000 0.017 0.000 1.310 235 I HN 0.296 8.469 8.210 -0.062 0.000 0.445 236 D N 1.781 122.268 120.400 0.145 0.000 2.474 236 D HA 0.194 4.875 4.640 0.069 0.000 0.213 236 D C -0.061 176.319 176.300 0.134 0.000 1.120 236 D CA 0.199 54.266 54.000 0.113 0.000 0.836 236 D CB 1.023 41.884 40.800 0.101 0.000 1.019 236 D HN 0.548 9.050 8.370 0.220 0.000 0.507 237 T N -1.545 113.116 114.554 0.179 0.000 3.143 237 T HA 0.120 4.552 4.350 0.137 0.000 0.312 237 T C -1.372 173.419 174.700 0.151 0.000 0.986 237 T CA -0.765 61.438 62.100 0.171 0.000 1.024 237 T CB 1.191 70.192 68.868 0.221 0.000 1.030 237 T HN -0.568 7.802 8.240 0.218 0.000 0.448 238 S N 3.445 119.217 115.700 0.120 0.000 2.519 238 S HA 0.216 4.750 4.470 0.107 0.000 0.309 238 S C -0.372 174.292 174.600 0.107 0.000 1.100 238 S CA -0.704 57.562 58.200 0.109 0.000 1.059 238 S CB 1.113 64.376 63.200 0.104 0.000 1.008 238 S HN 0.112 8.491 8.310 0.115 0.000 0.478 239 K N 6.093 126.540 120.400 0.079 0.000 2.090 239 K HA 0.407 4.807 4.320 0.133 0.000 0.249 239 K C -1.326 175.319 176.600 0.075 0.000 0.995 239 K CA -0.328 56.003 56.287 0.073 0.000 0.914 239 K CB 0.921 33.387 32.500 -0.057 0.000 1.057 239 K HN 0.354 8.640 8.250 0.060 0.000 0.462 240 V N -2.272 117.688 119.914 0.076 0.000 3.130 240 V HA 0.314 4.478 4.120 0.073 0.000 0.310 240 V C -2.137 173.962 176.094 0.009 0.000 1.158 240 V CA -0.800 61.542 62.300 0.070 0.000 1.029 240 V CB 2.086 33.974 31.823 0.108 0.000 1.057 240 V HN -0.160 8.089 8.190 0.098 0.000 0.436 241 N N 1.401 120.099 118.700 -0.004 0.000 2.516 241 N HA 0.198 4.844 4.740 -0.158 0.000 0.268 241 N C -1.349 174.167 175.510 0.010 0.000 1.096 241 N CA 0.295 53.285 53.050 -0.099 0.000 0.954 241 N CB 1.766 40.130 38.487 -0.206 0.000 1.676 241 N HN -0.173 8.230 8.380 0.038 0.000 0.490 242 Y N 2.073 122.423 120.300 0.083 0.000 2.354 242 Y HA 0.437 5.019 4.550 0.055 0.000 0.322 242 Y C -0.240 175.729 175.900 0.115 0.000 1.253 242 Y CA -0.912 57.242 58.100 0.090 0.000 1.272 242 Y CB 0.788 39.307 38.460 0.097 0.000 1.255 242 Y HN 0.042 8.182 8.280 -0.234 0.000 0.500 243 G N 0.873 109.862 108.800 0.314 0.000 2.622 243 G HA2 -0.408 3.646 3.960 0.157 0.000 0.272 243 G HA3 -0.408 3.721 3.960 0.281 0.000 0.272 243 G C -0.896 174.058 174.900 0.089 0.000 1.308 243 G CA 0.125 45.349 45.100 0.205 0.000 0.919 243 G HN 0.127 8.590 8.290 0.289 0.000 0.565 244 V N -0.181 119.773 119.914 0.068 0.000 3.019 244 V HA 0.375 4.513 4.120 0.031 0.000 0.317 244 V C -1.174 174.940 176.094 0.033 0.000 1.094 244 V CA -1.597 60.725 62.300 0.037 0.000 1.000 244 V CB 1.605 33.440 31.823 0.021 0.000 1.060 244 V HN 0.057 8.295 8.190 0.080 0.000 0.443 245 T N 6.003 120.574 114.554 0.028 0.000 2.883 245 T HA 0.221 4.565 4.350 -0.010 0.000 0.301 245 T C -1.556 173.146 174.700 0.002 0.000 1.158 245 T CA -0.443 61.667 62.100 0.017 0.000 1.007 245 T CB 2.687 71.602 68.868 0.078 0.000 1.186 245 T HN -0.003 8.250 8.240 0.022 0.000 0.499 246 V N 0.913 120.820 119.914 -0.012 0.000 3.697 246 V HA 0.002 4.116 4.120 -0.010 0.000 0.285 246 V C -1.573 174.512 176.094 -0.016 0.000 1.041 246 V CA -0.711 61.580 62.300 -0.015 0.000 1.045 246 V CB 1.022 32.832 31.823 -0.022 0.000 1.227 246 V HN 0.027 8.204 8.190 -0.022 0.000 0.448 247 L N 2.297 123.512 121.223 -0.013 0.000 2.438 247 L HA 0.496 4.814 4.340 -0.037 0.000 0.270 247 L C -1.858 175.011 176.870 -0.002 0.000 0.972 247 L CA -3.032 51.801 54.840 -0.012 0.000 0.831 247 L CB 1.823 43.889 42.059 0.012 0.000 1.273 247 L HN -0.085 8.141 8.230 -0.008 0.000 0.405 248 P HA 0.241 4.654 4.420 -0.012 0.000 0.272 248 P C -1.454 175.952 177.300 0.176 0.000 1.230 248 P CA -0.326 62.754 63.100 -0.034 0.000 0.788 248 P CB 0.802 32.336 31.700 -0.278 0.000 0.949 249 T N -5.506 109.202 114.554 0.257 0.000 2.693 249 T HA 0.661 5.258 4.350 0.412 0.000 0.278 249 T C -1.026 173.949 174.700 0.458 0.000 0.994 249 T CA -2.608 59.700 62.100 0.346 0.000 1.033 249 T CB 3.309 72.284 68.868 0.178 0.000 1.342 249 T HN -0.318 8.022 8.240 0.166 0.000 0.538 250 F N 0.932 120.965 119.950 0.138 0.000 2.375 250 F HA 0.259 4.855 4.527 0.115 0.000 0.317 250 F C -0.289 175.522 175.800 0.018 0.000 1.124 250 F CA -1.835 56.202 58.000 0.062 0.000 1.050 250 F CB 2.258 41.244 39.000 -0.023 0.000 1.314 250 F HN 0.124 8.627 8.300 0.339 0.000 0.511 251 K N 2.066 122.019 120.400 -0.745 0.000 2.320 251 K HA -0.251 3.847 4.320 -0.369 0.000 0.273 251 K C 0.419 176.763 176.600 -0.427 0.000 1.146 251 K CA 1.554 57.441 56.287 -0.668 0.000 1.144 251 K CB -1.319 30.567 32.500 -1.022 0.000 0.878 251 K HN 0.276 7.541 8.250 -1.641 0.000 0.458 252 G N 2.317 110.995 108.800 -0.204 0.000 2.203 252 G HA2 -0.271 3.638 3.960 -0.085 0.000 0.263 252 G HA3 -0.271 3.607 3.960 -0.137 0.000 0.263 252 G C -1.093 173.767 174.900 -0.067 0.000 1.012 252 G CA 0.311 45.337 45.100 -0.122 0.000 0.749 252 G HN 0.185 8.380 8.290 -0.158 0.000 0.512 253 Q N -3.131 116.658 119.800 -0.018 0.000 2.281 253 Q HA 0.409 4.763 4.340 0.024 0.000 0.263 253 Q C -3.043 173.012 176.000 0.092 0.000 0.989 253 Q CA -3.307 52.525 55.803 0.048 0.000 0.852 253 Q CB 1.201 29.995 28.738 0.092 0.000 1.337 253 Q HN -0.265 7.884 8.270 -0.015 0.112 0.418 254 P HA 0.113 4.582 4.420 0.082 0.000 0.274 254 P C -0.896 176.450 177.300 0.076 0.000 1.237 254 P CA -0.359 62.781 63.100 0.067 0.000 0.793 254 P CB 1.091 32.810 31.700 0.031 0.000 0.977 255 S N 0.250 115.998 115.700 0.079 0.000 2.672 255 S HA 0.119 4.620 4.470 0.052 0.000 0.276 255 S C -0.311 174.303 174.600 0.023 0.000 1.207 255 S CA 0.197 58.433 58.200 0.060 0.000 1.002 255 S CB 1.256 64.511 63.200 0.092 0.000 0.998 255 S HN 0.159 8.521 8.310 0.086 0.000 0.542 256 K N 2.624 123.024 120.400 -0.001 0.000 2.790 256 K HA 0.525 4.826 4.320 -0.032 0.000 0.253 256 K C -1.355 175.186 176.600 -0.098 0.000 1.082 256 K CA -2.212 54.054 56.287 -0.036 0.000 1.067 256 K CB 0.986 33.469 32.500 -0.028 0.000 1.284 256 K HN 0.400 8.650 8.250 0.001 0.000 0.529 257 P HA 0.001 4.262 4.420 -0.266 0.000 0.207 257 P C -0.823 176.175 177.300 -0.502 0.000 1.212 257 P CA 0.951 63.913 63.100 -0.230 0.000 0.914 257 P CB 0.437 32.088 31.700 -0.083 0.000 0.750 258 F N -5.398 114.552 119.950 -0.001 0.000 2.686 258 F HA 0.116 4.760 4.527 -0.006 -0.120 0.311 258 F C -0.594 175.197 175.800 -0.016 0.000 1.128 258 F CA -1.555 56.439 58.000 -0.009 0.000 0.946 258 F CB 2.881 41.872 39.000 -0.015 0.000 1.336 258 F HN -0.785 7.546 8.300 0.053 0.000 0.457 259 V N 3.355 123.405 119.914 0.228 0.000 2.338 259 V HA -0.004 4.165 4.120 0.082 0.000 0.255 259 V C -0.638 175.527 176.094 0.119 0.000 1.082 259 V CA 0.160 62.534 62.300 0.123 0.000 0.951 259 V CB -0.306 31.575 31.823 0.096 0.000 1.102 259 V HN 0.294 8.668 8.190 0.307 0.000 0.489 260 G N 7.745 116.601 108.800 0.093 0.000 2.428 260 G HA2 0.333 4.336 3.960 0.071 0.000 0.320 260 G HA3 0.333 4.326 3.960 0.055 0.000 0.320 260 G C -2.084 172.848 174.900 0.053 0.000 1.098 260 G CA -0.790 44.351 45.100 0.068 0.000 0.984 260 G HN -0.188 8.151 8.290 0.082 0.000 0.444 261 V N -0.074 119.871 119.914 0.052 0.000 3.103 261 V HA 0.416 4.552 4.120 0.026 0.000 0.318 261 V C -1.859 174.242 176.094 0.012 0.000 1.114 261 V CA -3.087 59.231 62.300 0.030 0.000 1.020 261 V CB 2.619 34.459 31.823 0.030 0.000 1.085 261 V HN -0.327 7.900 8.190 0.062 0.000 0.446 262 L N 0.282 121.506 121.223 0.001 0.000 2.350 262 L HA 0.319 4.647 4.340 -0.020 0.000 0.275 262 L C -1.508 175.377 176.870 0.026 0.000 1.099 262 L CA -0.316 54.527 54.840 0.004 0.000 0.808 262 L CB 1.560 43.630 42.059 0.019 0.000 1.149 262 L HN -0.092 8.137 8.230 -0.000 0.000 0.442 263 S N 3.607 119.319 115.700 0.021 0.000 2.667 263 S HA 0.767 5.426 4.470 0.111 -0.122 0.292 263 S C -2.022 172.681 174.600 0.171 0.000 1.126 263 S CA -1.201 57.043 58.200 0.073 0.000 0.881 263 S CB 3.410 66.621 63.200 0.017 0.000 1.132 263 S HN 0.033 8.209 8.310 -0.044 0.108 0.492 264 A N -1.093 121.897 122.820 0.283 0.000 2.475 264 A HA 0.916 5.454 4.320 0.070 -0.175 0.301 264 A C -2.219 175.459 177.584 0.156 0.000 1.059 264 A CA -1.644 50.472 52.037 0.132 0.000 0.710 264 A CB 3.784 22.709 19.000 -0.126 0.000 1.288 264 A HN 0.699 9.049 8.150 0.334 0.000 0.408 265 G N -1.033 107.741 108.800 -0.045 0.000 2.619 265 G HA2 0.695 4.403 3.960 -0.419 0.000 0.296 265 G HA3 0.695 4.440 3.960 -0.359 0.000 0.296 265 G C -2.829 171.880 174.900 -0.319 0.000 1.334 265 G CA -1.428 43.502 45.100 -0.284 0.000 0.934 265 G HN 0.495 8.716 8.290 -0.116 0.000 0.476 266 I N 0.341 120.728 120.570 -0.306 0.000 2.392 266 I HA 0.178 4.341 4.170 -0.182 -0.103 0.295 266 I C -1.027 174.982 176.117 -0.179 0.000 0.985 266 I CA -1.049 60.127 61.300 -0.207 0.000 1.221 266 I CB 2.409 40.314 38.000 -0.159 0.000 1.366 266 I HN 0.432 8.432 8.210 -0.350 0.000 0.467 267 N N 5.675 124.293 118.700 -0.137 0.000 2.497 267 N HA -0.014 4.850 4.740 -0.071 -0.166 0.268 267 N C 0.897 176.355 175.510 -0.087 0.000 1.171 267 N CA 0.851 53.848 53.050 -0.089 0.000 0.948 267 N CB 1.792 40.243 38.487 -0.059 0.000 1.069 267 N HN 0.372 8.561 8.380 -0.134 0.111 0.460 268 A N 5.857 128.625 122.820 -0.086 0.000 2.119 268 A HA -0.114 4.158 4.320 -0.081 0.000 0.217 268 A C 0.016 177.557 177.584 -0.070 0.000 1.153 268 A CA 1.438 53.426 52.037 -0.082 0.000 0.692 268 A CB -0.117 18.831 19.000 -0.087 0.000 0.799 268 A HN 0.681 8.780 8.150 -0.085 0.000 0.458 269 A N -2.776 120.001 122.820 -0.072 0.000 2.123 269 A HA 0.066 4.349 4.320 -0.062 0.000 0.214 269 A C 0.325 177.874 177.584 -0.057 0.000 1.152 269 A CA 0.225 52.222 52.037 -0.067 0.000 0.728 269 A CB 0.244 19.198 19.000 -0.077 0.000 0.814 269 A HN -0.503 7.855 8.150 -0.076 -0.254 0.464 270 S N -0.362 115.304 115.700 -0.057 0.000 2.566 270 S HA -0.066 4.376 4.470 -0.047 0.000 0.280 270 S C -0.488 174.091 174.600 -0.035 0.000 1.343 270 S CA -0.089 58.083 58.200 -0.046 0.000 1.036 270 S CB -0.200 62.972 63.200 -0.046 0.000 0.866 270 S HN -0.810 7.462 8.310 -0.063 0.000 0.526 271 P HA -0.028 4.379 4.420 -0.022 0.000 0.214 271 P C -1.199 176.093 177.300 -0.014 0.000 1.162 271 P CA 1.283 64.371 63.100 -0.019 0.000 0.874 271 P CB 0.375 32.067 31.700 -0.014 0.000 0.784 272 N N -1.503 117.193 118.700 -0.006 0.000 2.682 272 N HA 0.159 4.898 4.740 -0.003 0.000 0.252 272 N C 0.107 175.620 175.510 0.005 0.000 1.081 272 N CA -2.061 50.990 53.050 0.002 0.000 0.844 272 N CB -0.048 38.447 38.487 0.013 0.000 1.167 272 N HN -0.193 8.184 8.380 -0.004 0.000 0.523 273 K N 3.189 123.585 120.400 -0.007 0.000 2.360 273 K HA -0.447 3.864 4.320 -0.015 0.000 0.201 273 K C 1.043 177.648 176.600 0.009 0.000 1.046 273 K CA 2.876 59.156 56.287 -0.011 0.000 0.940 273 K CB -0.575 31.907 32.500 -0.030 0.000 0.748 273 K HN 0.442 8.683 8.250 -0.014 0.000 0.465 274 E N 0.112 120.324 120.200 0.020 0.000 2.110 274 E HA -0.275 4.091 4.350 0.027 0.000 0.193 274 E C 1.946 178.589 176.600 0.071 0.000 0.988 274 E CA 2.768 59.191 56.400 0.037 0.000 0.804 274 E CB -0.396 29.327 29.700 0.038 0.000 0.745 274 E HN 0.098 8.397 8.360 0.015 0.070 0.458 275 L N -1.679 119.591 121.223 0.079 0.000 2.042 275 L HA -0.355 4.101 4.340 0.194 0.000 0.210 275 L C 1.916 178.845 176.870 0.099 0.000 1.076 275 L CA 3.023 57.939 54.840 0.128 0.000 0.749 275 L CB -0.688 41.437 42.059 0.108 0.000 0.893 275 L HN -0.123 8.133 8.230 0.058 0.009 0.432 276 A N -1.699 121.158 122.820 0.062 0.000 1.873 276 A HA -0.248 4.123 4.320 0.085 0.000 0.215 276 A C 1.770 179.409 177.584 0.092 0.000 1.186 276 A CA 3.095 55.175 52.037 0.072 0.000 0.616 276 A CB -0.874 18.150 19.000 0.039 0.000 0.823 276 A HN -0.464 7.707 8.150 0.046 0.007 0.442 277 K N -0.887 119.551 120.400 0.063 0.000 2.097 277 K HA -0.209 4.144 4.320 0.056 0.000 0.206 277 K C 2.326 178.938 176.600 0.021 0.000 1.049 277 K CA 2.424 58.731 56.287 0.032 0.000 0.933 277 K CB -0.883 31.615 32.500 -0.004 0.000 0.717 277 K HN -0.280 7.998 8.250 0.048 0.000 0.442 278 E N -0.791 119.454 120.200 0.075 0.000 2.028 278 E HA -0.291 4.111 4.350 0.088 0.000 0.191 278 E C 2.142 178.825 176.600 0.139 0.000 0.988 278 E CA 2.544 59.019 56.400 0.125 0.000 0.799 278 E CB -0.373 29.450 29.700 0.206 0.000 0.755 278 E HN -0.127 8.275 8.360 0.088 0.010 0.447 279 F N 0.239 120.088 119.950 -0.168 0.000 2.087 279 F HA -0.387 3.854 4.527 -0.476 0.000 0.299 279 F C 1.409 177.140 175.800 -0.115 0.000 1.100 279 F CA 2.156 59.893 58.000 -0.437 0.000 1.226 279 F CB -0.025 38.462 39.000 -0.856 0.000 0.983 279 F HN -0.574 7.787 8.300 0.101 0.000 0.479 280 L N -2.116 118.999 121.223 -0.179 0.000 1.989 280 L HA -0.423 3.677 4.340 -0.400 0.000 0.211 280 L C 1.227 178.019 176.870 -0.130 0.000 1.071 280 L CA 3.594 58.308 54.840 -0.209 0.000 0.749 280 L CB -0.332 41.706 42.059 -0.036 0.000 0.890 280 L HN -0.249 7.988 8.230 0.019 0.004 0.431 281 E N -7.013 113.168 120.200 -0.031 0.000 2.370 281 E HA -0.033 4.338 4.350 0.036 0.000 0.194 281 E C -0.417 176.179 176.600 -0.006 0.000 1.057 281 E CA 0.533 56.955 56.400 0.036 0.000 1.011 281 E CB -0.584 29.206 29.700 0.149 0.000 1.132 281 E HN -0.419 7.927 8.360 -0.023 0.000 0.450 282 N N -2.289 116.384 118.700 -0.045 0.000 2.297 282 N HA 0.089 4.740 4.740 -0.149 0.000 0.247 282 N C -0.970 174.335 175.510 -0.342 0.000 1.138 282 N CA 1.268 54.251 53.050 -0.111 0.000 0.813 282 N CB 3.020 41.561 38.487 0.090 0.000 1.496 282 N HN -0.497 7.747 8.380 -0.073 0.093 0.480 283 Y N -3.310 116.936 120.300 -0.089 0.000 2.640 283 Y HA 0.137 4.672 4.550 -0.025 0.000 0.274 283 Y C 0.586 176.326 175.900 -0.267 0.000 1.164 283 Y CA 1.630 59.672 58.100 -0.096 0.000 1.189 283 Y CB 2.510 41.037 38.460 0.113 0.000 1.333 283 Y HN -0.142 8.096 8.280 -0.071 0.000 0.494 284 L N 1.875 122.873 121.223 -0.375 0.000 1.976 284 L HA -0.177 3.993 4.340 -0.284 0.000 0.209 284 L C 0.673 177.413 176.870 -0.217 0.000 1.071 284 L CA 3.026 57.660 54.840 -0.344 0.000 0.746 284 L CB 0.431 42.239 42.059 -0.418 0.000 0.890 284 L HN -0.458 7.421 8.230 -0.585 0.000 0.432 285 L N -1.153 119.957 121.223 -0.189 0.000 2.511 285 L HA -0.054 4.178 4.340 -0.181 0.000 0.239 285 L C -1.335 175.423 176.870 -0.187 0.000 1.400 285 L CA -0.145 54.596 54.840 -0.166 0.000 1.226 285 L CB -2.588 39.406 42.059 -0.108 0.000 1.475 285 L HN -0.293 7.822 8.230 -0.193 0.000 0.428 286 T N -4.009 110.400 114.554 -0.242 0.000 2.901 286 T HA 0.248 4.482 4.350 -0.194 0.000 0.293 286 T C -0.724 173.742 174.700 -0.389 0.000 1.084 286 T CA -2.301 59.657 62.100 -0.237 0.000 1.008 286 T CB 3.415 72.180 68.868 -0.172 0.000 1.170 286 T HN -0.419 7.605 8.240 -0.267 0.056 0.509 287 D N -0.433 119.786 120.400 -0.301 0.000 2.378 287 D HA -0.133 4.032 4.640 -0.791 0.000 0.227 287 D C 0.045 176.216 176.300 -0.215 0.000 1.012 287 D CA 2.360 56.167 54.000 -0.322 0.000 0.905 287 D CB -0.668 40.128 40.800 -0.006 0.000 0.895 287 D HN 0.443 8.709 8.370 -0.173 0.000 0.532 288 E N -1.935 118.163 120.200 -0.171 0.000 2.256 288 E HA 0.074 4.397 4.350 -0.045 0.000 0.198 288 E C 1.804 178.353 176.600 -0.085 0.000 0.908 288 E CA 0.490 56.843 56.400 -0.077 0.000 0.915 288 E CB 0.730 30.420 29.700 -0.017 0.000 0.890 288 E HN -0.825 7.324 8.360 -0.187 0.098 0.484 289 G N 0.926 109.660 108.800 -0.109 0.000 2.404 289 G HA2 -0.182 3.765 3.960 -0.022 0.000 0.214 289 G HA3 -0.182 3.931 3.960 -0.080 -0.200 0.214 289 G C 1.141 175.952 174.900 -0.149 0.000 1.189 289 G CA 2.005 47.054 45.100 -0.086 0.000 0.789 289 G HN 0.121 8.334 8.290 -0.129 0.000 0.533 290 L N 0.562 121.612 121.223 -0.288 0.000 2.083 290 L HA -0.436 3.802 4.340 -0.170 0.000 0.209 290 L C 1.832 178.614 176.870 -0.147 0.000 1.083 290 L CA 3.018 57.681 54.840 -0.295 0.000 0.752 290 L CB -0.488 41.193 42.059 -0.629 0.000 0.899 290 L HN 0.031 8.034 8.230 -0.378 0.000 0.433 291 E N -0.453 119.647 120.200 -0.167 0.000 2.051 291 E HA -0.400 4.058 4.350 0.181 0.000 0.192 291 E C 1.939 178.546 176.600 0.011 0.000 0.991 291 E CA 3.014 59.436 56.400 0.037 0.000 0.799 291 E CB -0.100 29.630 29.700 0.050 0.000 0.748 291 E HN -0.178 7.973 8.360 -0.329 0.011 0.449 292 A N -0.911 121.894 122.820 -0.024 0.000 1.883 292 A HA -0.259 4.054 4.320 -0.010 0.000 0.217 292 A C 2.433 180.001 177.584 -0.027 0.000 1.186 292 A CA 3.185 55.211 52.037 -0.018 0.000 0.624 292 A CB -0.690 18.302 19.000 -0.013 0.000 0.822 292 A HN -0.231 7.814 8.150 -0.049 0.075 0.444 293 V N -1.868 118.025 119.914 -0.035 0.000 2.427 293 V HA -0.429 3.661 4.120 -0.050 0.000 0.248 293 V C 1.833 177.913 176.094 -0.023 0.000 1.051 293 V CA 4.205 66.480 62.300 -0.041 0.000 1.048 293 V CB -0.198 31.588 31.823 -0.060 0.000 0.666 293 V HN -0.323 7.839 8.190 -0.046 0.000 0.456 294 N N -1.037 117.667 118.700 0.007 0.000 2.309 294 N HA -0.205 4.728 4.740 0.015 -0.184 0.182 294 N C 1.872 177.388 175.510 0.011 0.000 1.018 294 N CA 2.638 55.703 53.050 0.026 0.000 0.876 294 N CB 0.320 38.856 38.487 0.081 0.000 0.972 294 N HN -0.202 8.115 8.380 0.014 0.072 0.434 295 K N -1.756 118.646 120.400 0.004 0.000 2.057 295 K HA -0.276 4.044 4.320 -0.000 0.000 0.206 295 K C 1.779 178.363 176.600 -0.027 0.000 1.050 295 K CA 2.741 59.024 56.287 -0.007 0.000 0.935 295 K CB 0.042 32.538 32.500 -0.007 0.000 0.715 295 K HN -0.101 8.037 8.250 0.006 0.116 0.439 296 D N -2.627 117.746 120.400 -0.045 0.000 2.178 296 D HA -0.121 4.473 4.640 -0.076 0.000 0.202 296 D C 0.337 176.605 176.300 -0.054 0.000 0.974 296 D CA 1.908 55.865 54.000 -0.072 0.000 0.841 296 D CB 1.018 41.748 40.800 -0.117 0.000 0.953 296 D HN -0.525 7.820 8.370 -0.042 0.000 0.478 297 K N -4.123 116.257 120.400 -0.033 0.000 2.578 297 K HA 0.387 4.698 4.320 -0.016 0.000 0.269 297 K C -3.182 173.412 176.600 -0.008 0.000 0.941 297 K CA -2.165 54.111 56.287 -0.018 0.000 0.847 297 K CB 2.660 35.153 32.500 -0.011 0.000 1.397 297 K HN -0.580 7.653 8.250 -0.029 0.000 0.422 298 P HA 0.108 4.693 4.420 0.002 -0.163 0.276 298 P C -0.766 176.534 177.300 -0.000 0.000 1.253 298 P CA 0.114 63.214 63.100 -0.000 0.000 0.766 298 P CB 0.150 31.849 31.700 -0.002 0.000 0.845 299 L N 3.914 125.139 121.223 0.003 0.000 2.693 299 L HA 0.234 4.570 4.340 -0.006 0.000 0.235 299 L C 0.224 177.096 176.870 0.003 0.000 1.127 299 L CA -0.718 54.123 54.840 0.002 0.000 0.914 299 L CB 1.089 43.152 42.059 0.007 0.000 1.193 299 L HN 0.445 9.039 8.230 0.010 -0.358 0.502 300 G N -1.660 107.139 108.800 -0.001 0.000 2.575 300 G HA2 -0.377 3.574 3.960 -0.016 0.000 0.267 300 G HA3 -0.377 3.806 3.960 -0.010 -0.228 0.267 300 G C -0.366 174.528 174.900 -0.009 0.000 1.264 300 G CA -0.497 44.597 45.100 -0.009 0.000 0.935 300 G HN -0.549 7.741 8.290 -0.001 0.000 0.568 301 A N 0.438 123.250 122.820 -0.013 0.000 2.492 301 A HA 0.037 4.341 4.320 -0.027 0.000 0.236 301 A C -0.517 177.072 177.584 0.007 0.000 1.078 301 A CA 0.357 52.387 52.037 -0.012 0.000 0.773 301 A CB 0.904 19.897 19.000 -0.012 0.000 1.023 301 A HN 0.188 8.329 8.150 -0.015 0.000 0.504 302 V N -5.281 114.644 119.914 0.019 0.000 3.001 302 V HA 0.330 4.461 4.120 0.018 0.000 0.314 302 V C -1.391 174.708 176.094 0.009 0.000 1.099 302 V CA -2.701 59.617 62.300 0.031 0.000 0.989 302 V CB 3.346 35.227 31.823 0.097 0.000 1.040 302 V HN -0.183 8.015 8.190 0.013 0.000 0.434 303 A N 1.023 123.816 122.820 -0.045 0.000 1.929 303 A HA -0.073 4.187 4.320 -0.100 0.000 0.216 303 A C 0.198 177.730 177.584 -0.087 0.000 1.176 303 A CA 1.840 53.809 52.037 -0.113 0.000 0.628 303 A CB 0.563 19.427 19.000 -0.227 0.000 0.816 303 A HN 0.277 8.295 8.150 -0.047 0.104 0.444 304 L N -1.483 119.685 121.223 -0.092 0.000 2.638 304 L HA -0.125 4.248 4.340 -0.193 -0.148 0.273 304 L C 0.169 177.029 176.870 -0.018 0.000 1.147 304 L CA -0.159 54.620 54.840 -0.102 0.000 0.941 304 L CB -0.350 41.659 42.059 -0.083 0.000 1.251 304 L HN -0.360 7.825 8.230 -0.075 0.000 0.479 305 K N 7.486 127.851 120.400 -0.058 0.000 2.113 305 K HA -0.478 3.873 4.320 0.053 0.000 0.208 305 K C 2.090 178.679 176.600 -0.018 0.000 1.047 305 K CA 4.021 60.278 56.287 -0.051 0.000 0.928 305 K CB -0.406 31.956 32.500 -0.230 0.000 0.716 305 K HN 0.596 8.772 8.250 -0.123 0.000 0.446 306 S N -1.200 114.487 115.700 -0.021 0.000 2.383 306 S HA -0.254 4.214 4.470 -0.003 0.000 0.229 306 S C 1.123 175.781 174.600 0.097 0.000 1.030 306 S CA 3.281 61.491 58.200 0.016 0.000 1.002 306 S CB 0.074 63.273 63.200 -0.001 0.000 0.829 306 S HN 0.039 8.306 8.310 -0.056 0.009 0.467 307 Y N 0.114 120.389 120.300 -0.043 0.000 2.444 307 Y HA 0.149 4.684 4.550 -0.026 0.000 0.249 307 Y C 0.439 176.332 175.900 -0.012 0.000 1.134 307 Y CA -0.177 57.905 58.100 -0.030 0.000 1.261 307 Y CB 1.690 40.126 38.460 -0.040 0.000 1.143 307 Y HN -0.572 7.784 8.280 0.154 0.016 0.523 308 E N 2.313 122.516 120.200 0.004 0.000 2.051 308 E HA -0.442 3.887 4.350 -0.036 0.000 0.192 308 E C 1.861 178.415 176.600 -0.078 0.000 0.991 308 E CA 3.713 60.105 56.400 -0.012 0.000 0.799 308 E CB -0.416 29.354 29.700 0.117 0.000 0.748 308 E HN -0.229 8.039 8.360 0.058 0.128 0.449 309 E N -2.591 117.578 120.200 -0.052 0.000 2.160 309 E HA -0.357 3.973 4.350 -0.033 0.000 0.195 309 E C 0.916 177.437 176.600 -0.132 0.000 0.991 309 E CA 2.813 59.177 56.400 -0.060 0.000 0.810 309 E CB -0.327 29.355 29.700 -0.030 0.000 0.742 309 E HN -0.713 7.640 8.360 -0.013 0.000 0.466 310 E N -3.136 116.917 120.200 -0.244 0.000 2.047 310 E HA -0.179 4.055 4.350 -0.195 0.000 0.191 310 E C 2.821 179.194 176.600 -0.378 0.000 0.987 310 E CA 1.738 57.933 56.400 -0.341 0.000 0.799 310 E CB -0.308 29.055 29.700 -0.562 0.000 0.752 310 E HN -0.147 7.932 8.360 -0.254 0.128 0.449 311 L N -0.347 120.581 121.223 -0.491 0.000 2.141 311 L HA -0.260 3.915 4.340 -0.276 0.000 0.209 311 L C 1.895 178.665 176.870 -0.166 0.000 1.094 311 L CA 2.669 57.322 54.840 -0.312 0.000 0.763 311 L CB -0.181 41.709 42.059 -0.280 0.000 0.908 311 L HN -0.099 7.775 8.230 -0.594 0.000 0.437 312 A N -3.802 118.936 122.820 -0.137 0.000 2.216 312 A HA -0.146 4.133 4.320 -0.067 0.000 0.214 312 A C 0.442 177.985 177.584 -0.070 0.000 1.160 312 A CA 1.516 53.505 52.037 -0.080 0.000 0.725 312 A CB -0.679 18.290 19.000 -0.051 0.000 0.784 312 A HN 0.171 8.116 8.150 -0.162 0.108 0.472 313 K N -2.826 117.522 120.400 -0.085 0.000 2.280 313 K HA -0.158 4.132 4.320 -0.051 0.000 0.202 313 K C 0.256 176.826 176.600 -0.050 0.000 1.047 313 K CA 1.608 57.857 56.287 -0.063 0.000 0.942 313 K CB 0.040 32.499 32.500 -0.069 0.000 0.739 313 K HN -0.760 7.215 8.250 -0.120 0.202 0.457 314 D N -1.990 118.379 120.400 -0.053 0.000 2.248 314 D HA 0.430 5.049 4.640 -0.035 0.000 0.246 314 D C -1.529 174.748 176.300 -0.038 0.000 1.027 314 D CA -3.108 50.867 54.000 -0.041 0.000 0.853 314 D CB 1.655 42.431 40.800 -0.039 0.000 1.243 314 D HN -0.680 7.605 8.370 -0.066 0.046 0.462 315 P HA -0.155 4.247 4.420 -0.030 0.000 0.218 315 P C 1.087 178.370 177.300 -0.029 0.000 1.149 315 P CA 2.171 65.254 63.100 -0.029 0.000 0.817 315 P CB 0.575 32.260 31.700 -0.025 0.000 0.785 316 R N -3.722 116.761 120.500 -0.028 0.000 2.105 316 R HA -0.244 4.082 4.340 -0.024 0.000 0.239 316 R C 2.281 178.564 176.300 -0.029 0.000 1.135 316 R CA 2.894 58.978 56.100 -0.026 0.000 0.967 316 R CB -0.834 29.452 30.300 -0.023 0.000 0.861 316 R HN 0.325 8.559 8.270 -0.027 0.020 0.442 317 I N -0.686 119.863 120.570 -0.034 0.000 2.188 317 I HA -0.369 3.781 4.170 -0.033 0.000 0.237 317 I C 1.472 177.566 176.117 -0.039 0.000 1.073 317 I CA 3.266 64.543 61.300 -0.038 0.000 1.359 317 I CB -0.297 37.672 38.000 -0.052 0.000 1.083 317 I HN -0.586 7.585 8.210 -0.037 0.017 0.412 318 A N 0.057 122.853 122.820 -0.041 0.000 1.884 318 A HA -0.461 3.835 4.320 -0.040 0.000 0.219 318 A C 1.866 179.425 177.584 -0.043 0.000 1.197 318 A CA 3.259 55.272 52.037 -0.040 0.000 0.637 318 A CB -0.983 17.996 19.000 -0.035 0.000 0.827 318 A HN -0.384 7.741 8.150 -0.042 0.000 0.450 319 A N -3.434 119.363 122.820 -0.038 0.000 1.940 319 A HA -0.290 4.004 4.320 -0.042 0.000 0.219 319 A C 2.173 179.731 177.584 -0.043 0.000 1.176 319 A CA 3.321 55.335 52.037 -0.039 0.000 0.631 319 A CB -0.925 18.056 19.000 -0.031 0.000 0.814 319 A HN 0.184 8.313 8.150 -0.034 0.000 0.446 320 T N 0.945 115.476 114.554 -0.038 0.000 2.867 320 T HA -0.294 4.035 4.350 -0.034 0.000 0.268 320 T C 1.693 176.365 174.700 -0.048 0.000 1.057 320 T CA 3.688 65.766 62.100 -0.036 0.000 1.136 320 T CB -0.196 68.656 68.868 -0.026 0.000 0.874 320 T HN -0.656 7.563 8.240 -0.035 0.000 0.466 321 M N 2.376 121.943 119.600 -0.055 0.000 2.099 321 M HA -0.265 4.185 4.480 -0.052 0.000 0.262 321 M C 1.530 177.754 176.300 -0.126 0.000 1.067 321 M CA 2.066 57.322 55.300 -0.073 0.000 1.124 321 M CB -0.341 32.219 32.600 -0.067 0.000 1.353 321 M HN 0.028 8.179 8.290 -0.049 0.110 0.410 322 E N -1.365 118.767 120.200 -0.113 0.000 2.118 322 E HA -0.434 3.812 4.350 -0.172 0.000 0.195 322 E C 2.595 179.106 176.600 -0.149 0.000 0.992 322 E CA 3.205 59.524 56.400 -0.134 0.000 0.804 322 E CB -1.074 28.571 29.700 -0.091 0.000 0.741 322 E HN 0.188 8.498 8.360 -0.084 0.000 0.458 323 N N -0.405 118.228 118.700 -0.112 0.000 2.289 323 N HA -0.255 4.427 4.740 -0.097 0.000 0.184 323 N C 1.774 177.201 175.510 -0.139 0.000 1.016 323 N CA 3.132 56.122 53.050 -0.101 0.000 0.872 323 N CB -0.147 38.304 38.487 -0.060 0.000 0.973 323 N HN -0.383 7.930 8.380 -0.089 0.014 0.433 324 A N -0.577 122.136 122.820 -0.178 0.000 1.975 324 A HA -0.165 4.057 4.320 -0.164 0.000 0.215 324 A C 2.216 179.457 177.584 -0.571 0.000 1.170 324 A CA 2.413 54.303 52.037 -0.245 0.000 0.656 324 A CB -0.289 18.653 19.000 -0.097 0.000 0.821 324 A HN -0.115 7.784 8.150 -0.162 0.154 0.449 325 Q N -1.297 118.137 119.800 -0.610 0.000 2.050 325 Q HA -0.261 3.327 4.340 -1.253 0.000 0.202 325 Q C 1.897 177.616 176.000 -0.469 0.000 0.980 325 Q CA 2.592 57.958 55.803 -0.728 0.000 0.840 325 Q CB 0.228 28.691 28.738 -0.459 0.000 0.898 325 Q HN -0.307 7.628 8.270 -0.417 0.085 0.424 326 K N -4.736 115.485 120.400 -0.298 0.000 2.487 326 K HA -0.052 4.153 4.320 -0.191 0.000 0.192 326 K C 0.656 177.151 176.600 -0.175 0.000 1.027 326 K CA 0.166 56.333 56.287 -0.200 0.000 1.054 326 K CB -0.167 32.250 32.500 -0.138 0.000 0.824 326 K HN -0.108 7.979 8.250 -0.271 0.000 0.510 327 G N 0.736 109.413 108.800 -0.205 0.000 2.547 327 G HA2 -0.080 3.825 3.960 -0.092 0.000 0.291 327 G HA3 -0.080 3.809 3.960 -0.119 0.000 0.291 327 G C -1.677 173.155 174.900 -0.113 0.000 1.211 327 G CA -0.871 44.150 45.100 -0.132 0.000 0.950 327 G HN -0.690 7.218 8.290 -0.289 0.208 0.504 328 E N -1.622 118.572 120.200 -0.009 0.000 2.244 328 E HA 0.157 4.515 4.350 0.014 0.000 0.266 328 E C -1.358 175.366 176.600 0.208 0.000 0.914 328 E CA -1.700 54.751 56.400 0.085 0.000 0.794 328 E CB 2.653 32.443 29.700 0.149 0.000 1.210 328 E HN -0.049 8.313 8.360 0.004 0.000 0.414 329 I N 1.064 121.742 120.570 0.180 0.000 2.392 329 I HA 0.076 4.337 4.170 0.151 0.000 0.295 329 I C -0.252 175.909 176.117 0.073 0.000 0.985 329 I CA -1.781 59.597 61.300 0.130 0.000 1.221 329 I CB 1.590 39.617 38.000 0.045 0.000 1.366 329 I HN 0.375 8.671 8.210 0.144 0.000 0.467 330 M N 9.811 129.250 119.600 -0.268 0.000 2.303 330 M HA 0.081 4.180 4.480 -0.634 0.000 0.350 330 M C -1.397 174.763 176.300 -0.233 0.000 1.518 330 M CA -1.259 53.672 55.300 -0.615 0.000 1.070 330 M CB -0.243 31.690 32.600 -1.111 0.000 1.910 330 M HN 0.300 8.419 8.290 -0.285 0.000 0.458 331 P HA 0.223 4.509 4.420 -0.222 0.000 0.289 331 P C -1.170 176.077 177.300 -0.089 0.000 1.299 331 P CA -0.769 62.230 63.100 -0.168 0.000 0.766 331 P CB 0.885 32.475 31.700 -0.183 0.000 1.226 332 N N -2.157 116.494 118.700 -0.082 0.000 2.299 332 N HA 0.095 4.840 4.740 0.007 0.000 0.246 332 N C -1.118 174.376 175.510 -0.026 0.000 1.254 332 N CA -0.049 52.981 53.050 -0.032 0.000 0.879 332 N CB 0.460 38.918 38.487 -0.049 0.000 1.214 332 N HN 0.203 8.506 8.380 -0.129 0.000 0.510 333 I N -2.464 118.085 120.570 -0.036 0.000 2.612 333 I HA 0.529 4.677 4.170 -0.038 0.000 0.295 333 I C -0.450 175.671 176.117 0.007 0.000 1.011 333 I CA -3.228 58.048 61.300 -0.042 0.000 1.326 333 I CB 0.286 38.217 38.000 -0.116 0.000 1.427 333 I HN -0.740 7.377 8.210 -0.051 0.063 0.537 334 P HA -0.060 4.412 4.420 0.086 0.000 0.225 334 P C 1.165 178.516 177.300 0.084 0.000 1.156 334 P CA 1.941 65.075 63.100 0.057 0.000 0.787 334 P CB -0.017 31.706 31.700 0.038 0.000 0.802 335 Q N -1.336 118.492 119.800 0.046 0.000 2.297 335 Q HA -0.203 4.206 4.340 0.115 0.000 0.208 335 Q C 2.114 178.226 176.000 0.187 0.000 0.981 335 Q CA 2.675 58.537 55.803 0.099 0.000 0.876 335 Q CB -1.343 27.410 28.738 0.024 0.000 0.921 335 Q HN 0.647 8.874 8.270 -0.013 0.036 0.446 336 M N -0.218 119.471 119.600 0.148 0.000 2.149 336 M HA -0.453 3.985 4.480 -0.070 0.000 0.261 336 M C 1.854 178.346 176.300 0.319 0.000 1.064 336 M CA 3.767 59.144 55.300 0.128 0.000 1.102 336 M CB -0.514 32.223 32.600 0.228 0.000 1.369 336 M HN -0.616 7.690 8.290 0.102 0.045 0.408 337 S N -0.688 115.230 115.700 0.363 0.000 2.356 337 S HA -0.410 4.410 4.470 0.584 0.000 0.223 337 S C 1.145 175.971 174.600 0.376 0.000 1.032 337 S CA 4.151 62.597 58.200 0.409 0.000 1.005 337 S CB -0.249 63.107 63.200 0.260 0.000 0.867 337 S HN -0.284 8.181 8.310 0.276 0.011 0.449 338 A N 1.066 124.052 122.820 0.276 0.000 1.908 338 A HA -0.290 4.183 4.320 0.255 0.000 0.218 338 A C 1.785 179.548 177.584 0.298 0.000 1.181 338 A CA 2.866 55.059 52.037 0.259 0.000 0.627 338 A CB -0.993 18.123 19.000 0.194 0.000 0.818 338 A HN -0.276 8.014 8.150 0.232 0.000 0.445 339 F N 0.588 120.569 119.950 0.051 0.000 2.069 339 F HA -0.379 4.097 4.527 -0.086 0.000 0.298 339 F C 0.945 176.723 175.800 -0.037 0.000 1.113 339 F CA 3.955 61.883 58.000 -0.119 0.000 1.214 339 F CB 0.073 38.847 39.000 -0.376 0.000 0.978 339 F HN -0.315 8.198 8.300 0.356 0.000 0.474 340 W N -2.946 118.545 121.300 0.318 0.000 2.358 340 W HA -0.522 4.032 4.660 -0.177 0.000 0.303 340 W C 2.236 178.815 176.519 0.101 0.000 1.208 340 W CA 2.880 60.278 57.345 0.089 0.000 1.274 340 W CB 0.047 29.636 29.460 0.215 0.000 1.138 340 W HN 0.375 8.673 8.180 0.374 0.107 0.515 341 Y N -0.522 119.959 120.300 0.302 0.000 2.242 341 Y HA -0.536 4.140 4.550 0.210 0.000 0.291 341 Y C 1.500 177.458 175.900 0.097 0.000 1.137 341 Y CA 3.650 61.866 58.100 0.194 0.000 1.181 341 Y CB 0.023 38.590 38.460 0.178 0.000 0.989 341 Y HN 0.286 8.917 8.280 0.584 0.000 0.527 342 A N -0.847 122.050 122.820 0.128 0.000 1.841 342 A HA -0.315 4.001 4.320 -0.007 0.000 0.214 342 A C 1.953 179.472 177.584 -0.109 0.000 1.195 342 A CA 3.167 55.203 52.037 -0.002 0.000 0.611 342 A CB -0.783 18.231 19.000 0.023 0.000 0.835 342 A HN 0.007 8.290 8.150 0.222 0.000 0.443 343 V N -0.548 119.263 119.914 -0.172 0.000 2.392 343 V HA -0.548 3.435 4.120 -0.228 0.000 0.249 343 V C 1.566 177.573 176.094 -0.145 0.000 1.059 343 V CA 5.019 67.186 62.300 -0.220 0.000 1.051 343 V CB -0.632 30.987 31.823 -0.340 0.000 0.658 343 V HN -0.032 8.030 8.190 -0.213 0.000 0.455 344 R N -0.557 119.897 120.500 -0.077 0.000 2.094 344 R HA -0.427 3.904 4.340 -0.016 0.000 0.239 344 R C 2.254 178.487 176.300 -0.111 0.000 1.137 344 R CA 3.656 59.724 56.100 -0.053 0.000 0.943 344 R CB -0.790 29.506 30.300 -0.008 0.000 0.850 344 R HN -0.401 7.847 8.270 -0.036 0.000 0.433 345 T N 0.640 115.094 114.554 -0.166 0.000 2.788 345 T HA -0.327 3.937 4.350 -0.145 0.000 0.268 345 T C 1.518 176.143 174.700 -0.124 0.000 1.044 345 T CA 4.306 66.311 62.100 -0.158 0.000 1.139 345 T CB -0.304 68.449 68.868 -0.193 0.000 0.867 345 T HN -0.714 7.402 8.240 -0.207 0.000 0.454 346 A N 1.771 124.512 122.820 -0.131 0.000 1.902 346 A HA -0.379 3.874 4.320 -0.112 0.000 0.217 346 A C 1.646 179.150 177.584 -0.135 0.000 1.181 346 A CA 3.328 55.286 52.037 -0.132 0.000 0.623 346 A CB -0.894 18.012 19.000 -0.156 0.000 0.818 346 A HN -0.411 7.571 8.150 -0.141 0.083 0.443 347 V N -0.255 119.573 119.914 -0.144 0.000 2.295 347 V HA -0.434 3.594 4.120 -0.153 0.000 0.246 347 V C 2.127 178.155 176.094 -0.110 0.000 1.049 347 V CA 4.175 66.392 62.300 -0.138 0.000 1.024 347 V CB -0.838 30.904 31.823 -0.135 0.000 0.648 347 V HN -0.088 8.013 8.190 -0.148 0.000 0.447 348 I N 0.000 120.513 120.570 -0.095 0.000 2.208 348 I HA -0.512 3.611 4.170 -0.078 0.000 0.245 348 I C 2.294 178.365 176.117 -0.077 0.000 1.097 348 I CA 3.139 64.391 61.300 -0.080 0.000 1.363 348 I CB -1.712 36.245 38.000 -0.072 0.000 1.051 348 I HN -0.077 8.075 8.210 -0.096 0.000 0.413 349 N N 0.318 118.969 118.700 -0.081 0.000 2.120 349 N HA -0.310 4.393 4.740 -0.062 0.000 0.188 349 N C 2.149 177.616 175.510 -0.071 0.000 1.024 349 N CA 3.321 56.328 53.050 -0.071 0.000 0.852 349 N CB -0.730 37.714 38.487 -0.071 0.000 1.003 349 N HN 0.197 8.450 8.380 -0.090 0.073 0.424 350 A N -0.142 122.628 122.820 -0.083 0.000 1.897 350 A HA -0.005 4.416 4.320 -0.071 -0.143 0.215 350 A C 2.030 179.567 177.584 -0.080 0.000 1.181 350 A CA 2.478 54.466 52.037 -0.082 0.000 0.620 350 A CB -0.381 18.560 19.000 -0.098 0.000 0.821 350 A HN -0.302 7.791 8.150 -0.095 0.000 0.443 351 A N -2.231 120.537 122.820 -0.088 0.000 1.933 351 A HA -0.302 3.961 4.320 -0.095 0.000 0.218 351 A C 1.402 178.942 177.584 -0.073 0.000 1.175 351 A CA 2.545 54.529 52.037 -0.088 0.000 0.628 351 A CB -0.289 18.654 19.000 -0.096 0.000 0.814 351 A HN 0.233 8.326 8.150 -0.094 0.000 0.444 352 S N -4.280 111.382 115.700 -0.063 0.000 2.527 352 S HA -0.025 4.415 4.470 -0.050 0.000 0.222 352 S C 0.184 174.757 174.600 -0.046 0.000 0.985 352 S CA 1.096 59.265 58.200 -0.051 0.000 0.921 352 S CB 0.795 63.968 63.200 -0.047 0.000 0.772 352 S HN -0.171 8.100 8.310 -0.066 0.000 0.529 353 G N 0.246 109.016 108.800 -0.049 0.000 2.153 353 G HA2 -0.315 3.674 3.960 -0.045 0.000 0.252 353 G HA3 -0.315 3.622 3.960 -0.038 0.000 0.252 353 G C 0.233 175.111 174.900 -0.037 0.000 0.994 353 G CA 0.940 46.015 45.100 -0.042 0.000 0.698 353 G HN -0.818 7.259 8.290 -0.057 0.179 0.521 354 R N -0.473 120.004 120.500 -0.039 0.000 2.115 354 R HA -0.256 4.067 4.340 -0.029 0.000 0.230 354 R C 0.093 176.373 176.300 -0.034 0.000 1.111 354 R CA 1.673 57.753 56.100 -0.034 0.000 0.976 354 R CB 0.709 30.987 30.300 -0.036 0.000 0.870 354 R HN -0.114 8.086 8.270 -0.045 0.043 0.445 355 Q N -4.208 115.568 119.800 -0.040 0.000 2.462 355 Q HA 0.253 4.573 4.340 -0.033 0.000 0.285 355 Q C -1.915 174.059 176.000 -0.043 0.000 1.035 355 Q CA -1.620 54.159 55.803 -0.039 0.000 0.799 355 Q CB 4.271 32.984 28.738 -0.043 0.000 1.452 355 Q HN -0.757 7.467 8.270 -0.046 0.019 0.404 356 T N 1.139 115.669 114.554 -0.039 0.000 2.900 356 T HA -0.059 4.268 4.350 -0.038 0.000 0.307 356 T C 1.046 175.715 174.700 -0.053 0.000 1.065 356 T CA 0.850 62.926 62.100 -0.040 0.000 1.105 356 T CB 0.323 69.172 68.868 -0.033 0.000 0.979 356 T HN 0.282 8.501 8.240 -0.034 0.000 0.544 357 V N 4.806 124.686 119.914 -0.057 0.000 2.255 357 V HA -0.561 3.507 4.120 -0.087 0.000 0.247 357 V C 1.514 177.561 176.094 -0.077 0.000 1.051 357 V CA 4.816 67.071 62.300 -0.076 0.000 1.018 357 V CB 0.001 31.778 31.823 -0.076 0.000 0.641 357 V HN 0.454 8.614 8.190 -0.049 0.000 0.445 358 D N -1.278 119.085 120.400 -0.062 0.000 2.133 358 D HA -0.360 4.243 4.640 -0.063 0.000 0.192 358 D C 2.253 178.520 176.300 -0.055 0.000 1.001 358 D CA 4.095 58.061 54.000 -0.056 0.000 0.844 358 D CB -0.925 39.851 40.800 -0.040 0.000 0.944 358 D HN 0.350 8.688 8.370 -0.053 0.000 0.447 359 E N -1.812 118.359 120.200 -0.049 0.000 2.112 359 E HA -0.217 4.109 4.350 -0.040 0.000 0.190 359 E C 2.229 178.798 176.600 -0.052 0.000 0.979 359 E CA 2.227 58.601 56.400 -0.044 0.000 0.814 359 E CB -0.782 28.897 29.700 -0.035 0.000 0.762 359 E HN 0.155 8.487 8.360 -0.046 0.000 0.460 360 A N 0.376 123.158 122.820 -0.063 0.000 1.972 360 A HA -0.222 4.060 4.320 -0.063 0.000 0.219 360 A C 2.116 179.648 177.584 -0.088 0.000 1.169 360 A CA 2.951 54.943 52.037 -0.074 0.000 0.635 360 A CB -0.682 18.267 19.000 -0.085 0.000 0.810 360 A HN -0.051 8.061 8.150 -0.064 0.000 0.446 361 L N -1.169 119.996 121.223 -0.098 0.000 2.027 361 L HA -0.354 3.904 4.340 -0.137 0.000 0.206 361 L C 1.767 178.586 176.870 -0.085 0.000 1.074 361 L CA 3.412 58.184 54.840 -0.112 0.000 0.745 361 L CB -0.514 41.474 42.059 -0.119 0.000 0.898 361 L HN -0.026 8.132 8.230 -0.092 0.016 0.433 362 K N -0.641 119.720 120.400 -0.065 0.000 2.032 362 K HA -0.429 3.945 4.320 -0.047 -0.083 0.209 362 K C 2.098 178.675 176.600 -0.038 0.000 1.048 362 K CA 2.944 59.203 56.287 -0.047 0.000 0.927 362 K CB -0.837 31.641 32.500 -0.037 0.000 0.712 362 K HN -0.493 7.651 8.250 -0.065 0.066 0.441 363 D N -1.498 118.879 120.400 -0.038 0.000 2.092 363 D HA -0.282 4.348 4.640 -0.016 0.000 0.193 363 D C 1.853 178.137 176.300 -0.026 0.000 0.994 363 D CA 3.270 57.254 54.000 -0.027 0.000 0.828 363 D CB -0.169 40.612 40.800 -0.031 0.000 0.963 363 D HN -0.229 8.114 8.370 -0.044 0.000 0.450 364 A N -0.526 122.266 122.820 -0.047 0.000 1.883 364 A HA -0.431 3.870 4.320 -0.032 0.000 0.217 364 A C 2.068 179.630 177.584 -0.037 0.000 1.186 364 A CA 3.169 55.174 52.037 -0.053 0.000 0.624 364 A CB -0.619 18.321 19.000 -0.100 0.000 0.822 364 A HN -0.217 7.896 8.150 -0.062 0.000 0.444 365 Q N -1.771 118.001 119.800 -0.046 0.000 2.124 365 Q HA -0.277 4.044 4.340 -0.032 0.000 0.202 365 Q C 3.000 178.998 176.000 -0.003 0.000 0.977 365 Q CA 3.015 58.798 55.803 -0.032 0.000 0.850 365 Q CB -0.087 28.621 28.738 -0.050 0.000 0.901 365 Q HN 0.260 8.494 8.270 -0.060 0.000 0.429 366 T N 2.612 117.165 114.554 -0.002 0.000 2.788 366 T HA -0.302 4.056 4.350 0.013 0.000 0.268 366 T C 1.485 176.202 174.700 0.030 0.000 1.044 366 T CA 4.205 66.312 62.100 0.012 0.000 1.139 366 T CB -0.262 68.610 68.868 0.007 0.000 0.867 366 T HN -0.268 7.880 8.240 -0.014 0.083 0.454 367 R N -0.568 119.954 120.500 0.036 0.000 2.241 367 R HA -0.229 4.149 4.340 0.064 0.000 0.224 367 R C 1.283 177.633 176.300 0.083 0.000 1.101 367 R CA 2.490 58.629 56.100 0.065 0.000 0.995 367 R CB -0.209 30.141 30.300 0.084 0.000 0.870 367 R HN -0.397 7.788 8.270 0.021 0.098 0.463 368 I N -4.898 115.719 120.570 0.078 0.000 3.462 368 I HA 0.003 4.256 4.170 0.139 0.000 0.290 368 I C 0.663 176.840 176.117 0.100 0.000 1.236 368 I CA 1.179 62.547 61.300 0.112 0.000 1.418 368 I CB 0.819 38.887 38.000 0.113 0.000 1.102 368 I HN -0.525 7.540 8.210 0.054 0.178 0.441 369 T N -3.780 110.813 114.554 0.066 0.000 3.001 369 T HA 0.034 4.420 4.350 0.059 0.000 0.251 369 T C 0.368 175.091 174.700 0.039 0.000 1.040 369 T CA 0.038 62.169 62.100 0.052 0.000 0.985 369 T CB 1.147 70.038 68.868 0.038 0.000 1.011 369 T HN -0.485 7.674 8.240 0.053 0.113 0.509 370 K N 0.000 120.424 120.400 0.041 0.000 2.780 370 K HA 0.000 4.336 4.320 0.026 0.000 0.191 370 K CA 0.000 56.307 56.287 0.033 0.000 0.838 370 K CB 0.000 32.519 32.500 0.032 0.000 1.064 370 K HN 0.000 8.279 8.250 0.048 0.000 0.543