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 2iyl_1_D DATA FIRST_RESID 21 DATA SEQUENCE AIPWGGNLEE VLEELEMALL AADVGLSATE EILQEVRASG RKDLKEAVKE DATA SEQUENCE KLVGMLEPDX XXATLRKLGF NPQKXXPVEP KGRVVLVVGV NGVGKTTTIA DATA SEQUENCE KLGRYYQNLG KKVMFCAGDT XXXXXXTQLS EWGKRLSIPV IQGPEGTDPA DATA SEQUENCE ALAYDAVQAM KARGYDLLFV DTAGRLHTKH NLMEELKKVK RAIAKADPEE DATA SEQUENCE PKEVWLVLDA VTGQXXLEQA KKFHEAVGLT GVIVTKLDGT AKGGVLIPIV DATA SEQUENCE RTLKVPIKFV GVGEGPDDLQ PFDPEAFVEA LLED 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 21 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 21 A C 0.000 177.476 177.584 -0.180 0.000 1.274 21 A CA 0.000 51.980 52.037 -0.094 0.000 0.836 21 A CB 0.000 18.961 19.000 -0.065 0.000 0.831 22 I N 4.542 124.933 120.570 -0.299 0.000 2.315 22 I HA 0.574 4.746 4.170 0.003 0.000 0.291 22 I C -1.946 173.739 176.117 -0.719 0.000 1.006 22 I CA -2.378 58.586 61.300 -0.561 0.000 1.265 22 I CB 1.930 39.453 38.000 -0.795 0.000 1.387 22 I HN 0.404 8.614 8.210 -0.000 0.000 0.475 23 P HA 0.052 4.472 4.420 -0.000 0.000 0.241 23 P C -1.313 175.847 177.300 -0.232 0.000 1.760 23 P CA -0.081 62.850 63.100 -0.283 0.000 1.081 23 P CB -0.811 30.787 31.700 -0.170 0.000 1.975 24 W N 1.798 123.091 121.300 -0.012 0.000 2.397 24 W HA 0.353 5.013 4.660 0.000 0.000 0.327 24 W C 1.422 177.936 176.519 -0.010 0.000 1.421 24 W CA 0.926 58.264 57.345 -0.011 0.000 1.288 24 W CB 0.153 29.605 29.460 -0.013 0.000 1.312 24 W HN 0.612 8.792 8.180 -0.000 0.000 0.559 25 G N 1.662 110.584 108.800 0.203 0.000 2.218 25 G HA2 -0.179 3.783 3.960 0.003 0.000 0.216 25 G HA3 -0.179 3.783 3.960 0.003 0.000 0.216 25 G C 0.506 175.442 174.900 0.060 0.000 0.994 25 G CA -0.520 44.647 45.100 0.111 0.000 0.637 25 G HN 0.954 9.244 8.290 -0.000 0.000 0.505 26 G N 0.209 109.031 108.800 0.037 0.000 2.588 26 G HA2 0.497 4.459 3.960 0.003 0.000 0.278 26 G HA3 0.497 4.459 3.960 0.003 0.000 0.278 26 G C 0.298 175.207 174.900 0.014 0.000 1.307 26 G CA -0.056 45.049 45.100 0.008 0.000 1.016 26 G HN 1.127 9.417 8.290 -0.000 0.000 0.503 27 N N -0.645 118.055 118.700 0.002 0.000 2.407 27 N HA 0.040 4.782 4.740 0.003 0.000 0.250 27 N C 1.433 176.946 175.510 0.007 0.000 1.236 27 N CA -0.367 52.686 53.050 0.005 0.000 0.879 27 N CB 1.181 39.667 38.487 -0.002 0.000 1.088 27 N HN 0.428 8.808 8.380 -0.000 0.000 0.450 28 L N 1.128 122.361 121.223 0.017 0.000 2.064 28 L HA -0.279 4.063 4.340 0.003 0.000 0.216 28 L C 1.850 178.726 176.870 0.010 0.000 1.077 28 L CA 1.869 56.723 54.840 0.023 0.000 0.766 28 L CB -0.427 41.647 42.059 0.024 0.000 0.890 28 L HN 0.689 8.919 8.230 -0.000 0.000 0.435 29 E N -0.836 119.364 120.200 0.000 0.000 2.208 29 E HA -0.240 4.112 4.350 0.003 0.000 0.193 29 E C 2.022 178.608 176.600 -0.023 0.000 0.988 29 E CA 1.043 57.438 56.400 -0.008 0.000 0.828 29 E CB 0.027 29.723 29.700 -0.007 0.000 0.763 29 E HN 0.698 9.058 8.360 -0.000 0.000 0.478 30 E N 0.302 120.484 120.200 -0.030 0.000 2.107 30 E HA -0.126 4.226 4.350 0.003 0.000 0.191 30 E C 1.995 178.543 176.600 -0.086 0.000 0.982 30 E CA 0.656 57.024 56.400 -0.052 0.000 0.809 30 E CB 0.329 30.000 29.700 -0.050 0.000 0.756 30 E HN 0.011 8.371 8.360 -0.000 0.000 0.459 31 V N 1.250 121.116 119.914 -0.081 0.000 2.358 31 V HA -0.252 3.870 4.120 0.003 0.000 0.246 31 V C 2.394 178.414 176.094 -0.123 0.000 1.047 31 V CA 1.386 63.602 62.300 -0.140 0.000 1.035 31 V CB -0.442 31.354 31.823 -0.046 0.000 0.658 31 V HN 0.343 8.534 8.190 -0.000 0.000 0.452 32 L N -0.271 120.922 121.223 -0.050 0.000 2.093 32 L HA -0.127 4.214 4.340 0.003 0.000 0.208 32 L C 2.757 179.601 176.870 -0.044 0.000 1.085 32 L CA 1.498 56.321 54.840 -0.029 0.000 0.755 32 L CB -0.575 41.482 42.059 -0.002 0.000 0.904 32 L HN 0.377 8.607 8.230 -0.000 0.000 0.435 33 E N 0.443 120.611 120.200 -0.052 0.000 2.051 33 E HA -0.229 4.122 4.350 0.003 0.000 0.192 33 E C 1.912 178.470 176.600 -0.070 0.000 0.991 33 E CA 1.244 57.614 56.400 -0.050 0.000 0.799 33 E CB 0.137 29.810 29.700 -0.045 0.000 0.748 33 E HN 0.393 8.753 8.360 -0.000 0.000 0.449 34 E N 0.420 120.555 120.200 -0.107 0.000 2.274 34 E HA -0.115 4.237 4.350 0.003 0.000 0.194 34 E C 2.082 178.597 176.600 -0.142 0.000 0.996 34 E CA 0.108 56.428 56.400 -0.133 0.000 0.840 34 E CB -0.075 29.516 29.700 -0.181 0.000 0.772 34 E HN 0.187 8.547 8.360 -0.000 0.000 0.491 35 L N 1.462 122.603 121.223 -0.136 0.000 2.044 35 L HA -0.111 4.231 4.340 0.003 0.000 0.205 35 L C 2.320 179.168 176.870 -0.037 0.000 1.075 35 L CA 1.791 56.578 54.840 -0.087 0.000 0.747 35 L CB -0.349 41.686 42.059 -0.040 0.000 0.903 35 L HN 0.037 8.267 8.230 -0.000 0.000 0.435 36 E N -0.978 119.204 120.200 -0.030 0.000 2.085 36 E HA -0.266 4.086 4.350 0.003 0.000 0.194 36 E C 2.061 178.650 176.600 -0.019 0.000 0.994 36 E CA 1.526 57.917 56.400 -0.015 0.000 0.801 36 E CB 0.007 29.699 29.700 -0.014 0.000 0.743 36 E HN 0.387 8.747 8.360 -0.000 0.000 0.453 37 M N 0.471 120.050 119.600 -0.034 0.000 2.064 37 M HA -0.101 4.381 4.480 0.003 0.000 0.260 37 M C 2.544 178.827 176.300 -0.029 0.000 1.073 37 M CA 1.576 56.856 55.300 -0.033 0.000 1.124 37 M CB -1.417 31.157 32.600 -0.045 0.000 1.326 37 M HN 0.235 8.525 8.290 -0.000 0.000 0.410 38 A N 0.514 123.310 122.820 -0.041 0.000 1.903 38 A HA -0.190 4.132 4.320 0.003 0.000 0.219 38 A C 2.333 179.908 177.584 -0.015 0.000 1.191 38 A CA 1.736 53.753 52.037 -0.034 0.000 0.638 38 A CB -1.065 17.907 19.000 -0.046 0.000 0.823 38 A HN 0.497 8.647 8.150 -0.000 0.000 0.451 39 L N -1.055 120.165 121.223 -0.005 0.000 2.044 39 L HA -0.105 4.237 4.340 0.003 0.000 0.205 39 L C 2.614 179.493 176.870 0.015 0.000 1.075 39 L CA 0.859 55.706 54.840 0.012 0.000 0.747 39 L CB -0.541 41.532 42.059 0.024 0.000 0.903 39 L HN 0.367 8.597 8.230 -0.000 0.000 0.435 40 L N -0.075 121.153 121.223 0.007 0.000 2.046 40 L HA -0.206 4.136 4.340 0.003 0.000 0.208 40 L C 2.847 179.721 176.870 0.007 0.000 1.077 40 L CA 1.248 56.093 54.840 0.008 0.000 0.747 40 L CB -0.715 41.345 42.059 0.002 0.000 0.896 40 L HN 0.254 8.484 8.230 -0.000 0.000 0.432 41 A N -0.184 122.636 122.820 0.001 0.000 2.019 41 A HA -0.082 4.240 4.320 0.003 0.000 0.219 41 A C 2.272 179.861 177.584 0.007 0.000 1.164 41 A CA 1.556 53.593 52.037 0.000 0.000 0.644 41 A CB -0.487 18.509 19.000 -0.008 0.000 0.805 41 A HN 0.415 8.565 8.150 -0.000 0.000 0.449 42 A N -1.638 121.189 122.820 0.012 0.000 2.251 42 A HA 0.315 4.637 4.320 0.003 0.000 0.209 42 A C 0.530 178.140 177.584 0.043 0.000 1.187 42 A CA 0.819 52.870 52.037 0.023 0.000 0.823 42 A CB -0.092 18.916 19.000 0.014 0.000 0.846 42 A HN 0.374 8.524 8.150 -0.000 0.000 0.486 43 D N -2.213 118.208 120.400 0.034 0.000 3.068 43 D HA -0.143 4.499 4.640 0.003 0.000 0.218 43 D C 0.870 177.198 176.300 0.047 0.000 1.145 43 D CA 0.944 54.966 54.000 0.036 0.000 0.896 43 D CB -1.778 39.043 40.800 0.035 0.000 1.105 43 D HN 0.254 8.624 8.370 -0.000 0.000 0.423 44 V N -0.518 119.429 119.914 0.054 0.000 2.759 44 V HA 0.086 4.208 4.120 0.003 0.000 0.256 44 V C 1.653 177.772 176.094 0.042 0.000 1.080 44 V CA 1.663 64.001 62.300 0.063 0.000 1.101 44 V CB -0.657 31.207 31.823 0.068 0.000 0.698 44 V HN 0.723 8.913 8.190 -0.000 0.000 0.477 45 G N -0.686 108.132 108.800 0.030 0.000 2.716 45 G HA2 -0.150 3.812 3.960 0.003 0.000 0.686 45 G HA3 -0.150 3.812 3.960 0.003 0.000 0.686 45 G C -0.099 174.813 174.900 0.020 0.000 1.337 45 G CA -0.160 44.953 45.100 0.022 0.000 0.829 45 G HN 0.161 8.451 8.290 -0.000 0.000 0.599 46 L N 1.747 122.979 121.223 0.015 0.000 2.017 46 L HA 0.049 4.391 4.340 0.003 0.000 0.208 46 L C 2.970 179.849 176.870 0.015 0.000 1.073 46 L CA 3.280 58.128 54.840 0.013 0.000 0.745 46 L CB -0.976 41.089 42.059 0.010 0.000 0.894 46 L HN 1.177 9.407 8.230 -0.000 0.000 0.432 47 S N -0.825 114.884 115.700 0.015 0.000 2.359 47 S HA -0.243 4.229 4.470 0.003 0.000 0.223 47 S C 2.139 176.750 174.600 0.019 0.000 1.039 47 S CA 1.623 59.832 58.200 0.015 0.000 1.042 47 S CB -0.568 62.639 63.200 0.013 0.000 0.915 47 S HN 0.657 8.967 8.310 -0.000 0.000 0.439 48 A N 0.300 123.133 122.820 0.022 0.000 1.902 48 A HA -0.046 4.276 4.320 0.003 0.000 0.217 48 A C 2.394 179.998 177.584 0.033 0.000 1.181 48 A CA 2.252 54.307 52.037 0.029 0.000 0.623 48 A CB -1.585 17.437 19.000 0.037 0.000 0.818 48 A HN 0.603 8.753 8.150 -0.000 0.000 0.443 49 T N 0.163 114.735 114.554 0.031 0.000 2.684 49 T HA -0.177 4.175 4.350 0.003 0.000 0.267 49 T C 1.768 176.483 174.700 0.025 0.000 1.036 49 T CA 1.783 63.901 62.100 0.030 0.000 1.148 49 T CB -0.332 68.550 68.868 0.023 0.000 0.863 49 T HN 0.660 8.900 8.240 -0.000 0.000 0.436 50 E N 0.679 120.891 120.200 0.020 0.000 2.058 50 E HA -0.162 4.190 4.350 0.003 0.000 0.194 50 E C 2.510 179.123 176.600 0.021 0.000 0.997 50 E CA 0.895 57.305 56.400 0.018 0.000 0.801 50 E CB -0.097 29.612 29.700 0.014 0.000 0.746 50 E HN 0.412 8.772 8.360 -0.000 0.000 0.450 51 E N 0.565 120.778 120.200 0.022 0.000 2.065 51 E HA -0.233 4.119 4.350 0.003 0.000 0.201 51 E C 2.193 178.810 176.600 0.029 0.000 1.016 51 E CA 1.107 57.522 56.400 0.024 0.000 0.818 51 E CB -0.284 29.431 29.700 0.024 0.000 0.749 51 E HN 0.225 8.585 8.360 -0.000 0.000 0.453 52 I N 0.995 121.586 120.570 0.035 0.000 2.127 52 I HA -0.314 3.858 4.170 0.003 0.000 0.241 52 I C 2.527 178.669 176.117 0.041 0.000 1.075 52 I CA 1.095 62.421 61.300 0.043 0.000 1.334 52 I CB -0.413 37.619 38.000 0.053 0.000 1.040 52 I HN 0.057 8.267 8.210 -0.000 0.000 0.405 53 L N -0.578 120.667 121.223 0.036 0.000 2.013 53 L HA -0.304 4.038 4.340 0.003 0.000 0.212 53 L C 2.597 179.485 176.870 0.028 0.000 1.073 53 L CA 1.565 56.424 54.840 0.032 0.000 0.753 53 L CB -0.890 41.182 42.059 0.023 0.000 0.890 53 L HN 0.339 8.569 8.230 -0.000 0.000 0.432 54 Q N -0.286 119.529 119.800 0.024 0.000 1.975 54 Q HA -0.236 4.105 4.340 0.003 0.000 0.205 54 Q C 2.316 178.330 176.000 0.023 0.000 0.990 54 Q CA 1.582 57.398 55.803 0.021 0.000 0.845 54 Q CB -0.188 28.561 28.738 0.018 0.000 0.913 54 Q HN 0.403 8.673 8.270 -0.000 0.000 0.420 55 E N -0.057 120.158 120.200 0.025 0.000 2.136 55 E HA -0.220 4.132 4.350 0.003 0.000 0.202 55 E C 2.061 178.678 176.600 0.029 0.000 1.019 55 E CA 1.476 57.892 56.400 0.026 0.000 0.819 55 E CB -0.089 29.628 29.700 0.028 0.000 0.739 55 E HN 0.182 8.542 8.360 -0.000 0.000 0.458 56 V N 0.997 120.932 119.914 0.036 0.000 2.379 56 V HA -0.230 3.891 4.120 0.003 0.000 0.245 56 V C 2.358 178.475 176.094 0.039 0.000 1.044 56 V CA 1.627 63.953 62.300 0.043 0.000 1.036 56 V CB -0.406 31.455 31.823 0.063 0.000 0.664 56 V HN 0.211 8.401 8.190 -0.000 0.000 0.453 57 R N 0.531 121.051 120.500 0.033 0.000 2.096 57 R HA -0.163 4.178 4.340 0.003 0.000 0.229 57 R C 2.516 178.830 176.300 0.023 0.000 1.134 57 R CA 1.593 57.710 56.100 0.027 0.000 0.917 57 R CB -1.037 29.277 30.300 0.022 0.000 0.832 57 R HN 0.472 8.742 8.270 -0.000 0.000 0.430 58 A N 1.586 124.418 122.820 0.020 0.000 1.893 58 A HA -0.231 4.090 4.320 0.003 0.000 0.222 58 A C 1.214 178.808 177.584 0.017 0.000 1.309 58 A CA 2.070 54.117 52.037 0.017 0.000 0.681 58 A CB -0.996 18.014 19.000 0.016 0.000 0.842 58 A HN 0.402 8.552 8.150 -0.000 0.000 0.468 59 S N 0.605 116.316 115.700 0.018 0.000 2.519 59 S HA 0.348 4.820 4.470 0.003 0.000 0.310 59 S C 0.901 175.511 174.600 0.017 0.000 1.201 59 S CA 0.210 58.419 58.200 0.016 0.000 1.179 59 S CB 0.394 63.603 63.200 0.016 0.000 1.104 59 S HN 0.776 9.086 8.310 -0.000 0.000 0.527 60 G N 3.418 112.226 108.800 0.014 0.000 3.392 60 G HA2 0.060 4.022 3.960 0.003 0.000 0.247 60 G HA3 0.060 4.022 3.960 0.003 0.000 0.247 60 G C 0.313 175.220 174.900 0.013 0.000 1.161 60 G CA -0.384 44.724 45.100 0.014 0.000 1.739 60 G HN 0.478 8.768 8.290 -0.000 0.000 0.619 61 R N -0.095 120.413 120.500 0.014 0.000 2.404 61 R HA 0.295 4.637 4.340 0.003 0.000 0.291 61 R C 0.966 177.274 176.300 0.013 0.000 1.025 61 R CA -0.558 55.546 56.100 0.008 0.000 0.991 61 R CB 0.917 31.217 30.300 -0.000 0.000 1.053 61 R HN 0.135 8.405 8.270 -0.000 0.000 0.479 62 K N 0.453 120.858 120.400 0.008 0.000 2.228 62 K HA -0.073 4.249 4.320 0.003 0.000 0.202 62 K C 0.149 176.757 176.600 0.012 0.000 1.051 62 K CA 0.729 57.024 56.287 0.014 0.000 0.960 62 K CB 0.207 32.712 32.500 0.008 0.000 0.743 62 K HN 0.401 8.651 8.250 -0.000 0.000 0.458 63 D N 1.026 121.419 120.400 -0.012 0.000 2.522 63 D HA 0.051 4.693 4.640 0.003 0.000 0.218 63 D C 0.483 176.746 176.300 -0.062 0.000 1.149 63 D CA -0.125 53.847 54.000 -0.046 0.000 0.981 63 D CB 0.514 41.271 40.800 -0.071 0.000 1.041 63 D HN -0.061 8.309 8.370 -0.000 0.000 0.518 64 L N 2.660 123.878 121.223 -0.009 0.000 2.313 64 L HA 0.076 4.418 4.340 0.003 0.000 0.214 64 L C 2.389 179.174 176.870 -0.140 0.000 1.119 64 L CA 0.652 55.515 54.840 0.039 0.000 0.809 64 L CB -0.379 41.806 42.059 0.211 0.000 0.933 64 L HN 0.211 8.441 8.230 -0.000 0.000 0.449 65 K N 0.624 120.668 120.400 -0.593 0.000 2.031 65 K HA -0.210 4.112 4.320 0.003 0.000 0.205 65 K C 2.153 178.397 176.600 -0.594 0.000 1.049 65 K CA 1.305 56.804 56.287 -1.314 0.000 0.939 65 K CB 0.134 31.458 32.500 -1.960 0.000 0.717 65 K HN 0.174 8.424 8.250 -0.000 0.000 0.438 66 E N 0.562 120.531 120.200 -0.384 0.000 2.110 66 E HA -0.137 4.214 4.350 0.003 0.000 0.193 66 E C 1.573 178.089 176.600 -0.140 0.000 0.988 66 E CA 1.512 57.781 56.400 -0.219 0.000 0.804 66 E CB -0.162 29.442 29.700 -0.161 0.000 0.745 66 E HN 0.400 8.760 8.360 -0.000 0.000 0.458 67 A N -0.143 122.610 122.820 -0.113 0.000 1.930 67 A HA -0.092 4.230 4.320 0.003 0.000 0.217 67 A C 2.468 180.038 177.584 -0.024 0.000 1.175 67 A CA 1.404 53.413 52.037 -0.046 0.000 0.627 67 A CB -0.639 18.353 19.000 -0.014 0.000 0.815 67 A HN 0.202 8.352 8.150 -0.000 0.000 0.443 68 V N 0.290 120.187 119.914 -0.027 0.000 2.295 68 V HA -0.277 3.845 4.120 0.003 0.000 0.246 68 V C 2.462 178.558 176.094 0.003 0.000 1.049 68 V CA 2.330 64.648 62.300 0.030 0.000 1.024 68 V CB -0.651 31.252 31.823 0.134 0.000 0.648 68 V HN 0.541 8.731 8.190 -0.000 0.000 0.447 69 K N -0.188 120.177 120.400 -0.059 0.000 2.044 69 K HA -0.252 4.070 4.320 0.003 0.000 0.210 69 K C 2.130 178.721 176.600 -0.016 0.000 1.049 69 K CA 2.005 58.264 56.287 -0.047 0.000 0.927 69 K CB -0.265 32.179 32.500 -0.094 0.000 0.713 69 K HN 0.567 8.817 8.250 -0.000 0.000 0.443 70 E N 0.511 120.696 120.200 -0.024 0.000 2.110 70 E HA -0.170 4.181 4.350 0.003 0.000 0.193 70 E C 1.923 178.532 176.600 0.014 0.000 0.988 70 E CA 0.962 57.358 56.400 -0.006 0.000 0.804 70 E CB 0.139 29.831 29.700 -0.013 0.000 0.745 70 E HN 0.167 8.527 8.360 -0.000 0.000 0.458 71 K N 0.564 120.976 120.400 0.021 0.000 2.062 71 K HA -0.054 4.268 4.320 0.003 0.000 0.205 71 K C 2.243 178.872 176.600 0.049 0.000 1.051 71 K CA 0.692 57.000 56.287 0.034 0.000 0.941 71 K CB -0.368 32.154 32.500 0.037 0.000 0.719 71 K HN 0.187 8.437 8.250 -0.000 0.000 0.440 72 L N 0.604 121.863 121.223 0.060 0.000 2.027 72 L HA -0.134 4.208 4.340 0.003 0.000 0.206 72 L C 2.453 179.390 176.870 0.111 0.000 1.074 72 L CA 0.693 55.589 54.840 0.094 0.000 0.745 72 L CB -0.598 41.520 42.059 0.099 0.000 0.898 72 L HN -0.151 8.079 8.230 -0.000 0.000 0.433 73 V N 0.388 120.352 119.914 0.082 0.000 2.255 73 V HA -0.265 3.857 4.120 0.003 0.000 0.247 73 V C 2.679 178.810 176.094 0.061 0.000 1.051 73 V CA 2.130 64.473 62.300 0.073 0.000 1.018 73 V CB -1.483 30.360 31.823 0.033 0.000 0.641 73 V HN 0.597 8.787 8.190 -0.000 0.000 0.445 74 G N 0.850 109.677 108.800 0.045 0.000 2.547 74 G HA2 -0.362 3.600 3.960 0.003 0.000 0.221 74 G HA3 -0.362 3.600 3.960 0.003 0.000 0.221 74 G C 1.484 176.408 174.900 0.040 0.000 1.140 74 G CA 1.637 46.760 45.100 0.038 0.000 0.760 74 G HN 0.652 8.942 8.290 -0.000 0.000 0.583 75 M N -0.844 118.786 119.600 0.050 0.000 2.595 75 M HA 0.405 4.887 4.480 0.003 0.000 0.248 75 M C 1.803 178.128 176.300 0.041 0.000 1.119 75 M CA 0.943 56.268 55.300 0.043 0.000 1.079 75 M CB -0.059 32.568 32.600 0.045 0.000 1.472 75 M HN 0.115 8.405 8.290 -0.000 0.000 0.501 76 L N 0.589 121.850 121.223 0.064 0.000 2.554 76 L HA 0.192 4.534 4.340 0.003 0.000 0.225 76 L C 0.509 177.411 176.870 0.053 0.000 1.104 76 L CA 0.388 55.268 54.840 0.068 0.000 0.866 76 L CB 0.222 42.375 42.059 0.156 0.000 1.047 76 L HN 0.334 8.564 8.230 -0.000 0.000 0.468 77 E N 0.681 120.906 120.200 0.041 0.000 3.312 77 E HA 0.129 4.481 4.350 0.003 0.000 0.215 77 E C -1.620 174.991 176.600 0.018 0.000 1.160 77 E CA -1.198 55.219 56.400 0.029 0.000 1.267 77 E CB 0.642 30.359 29.700 0.028 0.000 1.361 77 E HN 0.145 8.505 8.360 -0.000 0.000 0.433 78 P HA -0.087 4.333 4.420 -0.000 0.000 0.226 78 P C 0.057 177.364 177.300 0.011 0.000 1.153 78 P CA 0.687 63.791 63.100 0.006 0.000 0.777 78 P CB 0.401 32.097 31.700 -0.007 0.000 0.794 84 T N 1.466 116.008 114.554 -0.020 0.000 2.788 84 T HA -0.014 4.338 4.350 0.003 0.000 0.268 84 T C 1.805 176.471 174.700 -0.057 0.000 1.044 84 T CA 1.799 63.877 62.100 -0.036 0.000 1.139 84 T CB -0.442 68.403 68.868 -0.039 0.000 0.867 84 T HN 0.326 8.566 8.240 -0.000 0.000 0.454 85 L N 0.323 121.512 121.223 -0.057 0.000 2.201 85 L HA 0.027 4.369 4.340 0.003 0.000 0.212 85 L C 2.798 179.642 176.870 -0.043 0.000 1.105 85 L CA 0.934 55.728 54.840 -0.076 0.000 0.775 85 L CB -0.436 41.587 42.059 -0.061 0.000 0.913 85 L HN 0.140 8.370 8.230 -0.000 0.000 0.440 86 R N 0.691 121.179 120.500 -0.020 0.000 2.066 86 R HA -0.199 4.143 4.340 0.003 0.000 0.232 86 R C 2.314 178.615 176.300 0.001 0.000 1.131 86 R CA 1.529 57.628 56.100 -0.002 0.000 0.955 86 R CB 0.040 30.341 30.300 0.003 0.000 0.851 86 R HN 0.093 8.363 8.270 -0.000 0.000 0.432 87 K N 0.199 120.595 120.400 -0.008 0.000 2.026 87 K HA -0.161 4.161 4.320 0.003 0.000 0.208 87 K C 1.956 178.557 176.600 0.002 0.000 1.048 87 K CA 1.257 57.543 56.287 -0.003 0.000 0.929 87 K CB -0.260 32.233 32.500 -0.011 0.000 0.713 87 K HN 0.064 8.314 8.250 -0.000 0.000 0.439 88 L N -0.857 120.346 121.223 -0.033 0.000 2.044 88 L HA 0.071 4.413 4.340 0.003 0.000 0.205 88 L C 1.396 178.300 176.870 0.057 0.000 1.075 88 L CA 2.365 57.172 54.840 -0.054 0.000 0.747 88 L CB -0.373 41.544 42.059 -0.236 0.000 0.903 88 L HN 0.521 8.751 8.230 -0.000 0.000 0.435 89 G N -2.069 106.760 108.800 0.048 0.000 2.195 89 G HA2 -0.272 3.690 3.960 0.003 0.000 0.246 89 G HA3 -0.272 3.690 3.960 0.003 0.000 0.246 89 G C 0.319 175.362 174.900 0.240 0.000 0.984 89 G CA 0.295 45.477 45.100 0.136 0.000 0.633 89 G HN 0.676 8.966 8.290 -0.000 0.000 0.525 90 F N -0.991 118.960 119.950 0.002 0.000 2.685 90 F HA 0.797 5.326 4.527 0.003 0.000 0.315 90 F C -1.045 174.757 175.800 0.004 0.000 1.126 90 F CA -2.225 55.776 58.000 0.001 0.000 0.950 90 F CB 0.959 39.958 39.000 -0.001 0.000 1.360 90 F HN -0.009 8.291 8.300 -0.000 0.000 0.469 91 N N 1.987 120.682 118.700 -0.009 0.000 2.469 91 N HA 0.472 5.214 4.740 0.003 0.000 0.253 91 N C -2.204 173.305 175.510 -0.001 0.000 0.970 91 N CA -2.690 50.292 53.050 -0.113 0.000 0.940 91 N CB 1.597 40.075 38.487 -0.016 0.000 1.128 91 N HN 0.375 8.755 8.380 -0.000 0.000 0.503 92 P HA 0.005 4.425 4.420 -0.000 0.000 0.233 92 P C 0.346 177.701 177.300 0.091 0.000 1.167 92 P CA 0.992 64.152 63.100 0.100 0.000 0.770 92 P CB 0.421 32.114 31.700 -0.011 0.000 0.837 93 Q N -1.244 118.579 119.800 0.038 0.000 2.360 93 Q HA 0.095 4.437 4.340 0.003 0.000 0.202 93 Q C 0.534 176.564 176.000 0.050 0.000 0.915 93 Q CA 0.347 56.174 55.803 0.040 0.000 0.943 93 Q CB 0.199 28.950 28.738 0.022 0.000 1.064 93 Q HN 0.178 8.448 8.270 -0.000 0.000 0.511 98 V N 1.732 121.689 119.914 0.072 0.000 2.450 98 V HA 0.312 4.434 4.120 0.003 0.000 0.281 98 V C 0.692 177.035 176.094 0.416 0.000 1.019 98 V CA 0.615 62.979 62.300 0.107 0.000 1.062 98 V CB 0.567 32.253 31.823 -0.228 0.000 0.979 98 V HN 0.712 8.902 8.190 -0.000 0.000 0.477 99 E N 6.321 126.763 120.200 0.404 0.000 2.321 99 E HA 0.532 4.883 4.350 0.003 0.000 0.278 99 E C -2.876 173.919 176.600 0.326 0.000 0.902 99 E CA -1.945 54.724 56.400 0.449 0.000 0.758 99 E CB 2.392 32.284 29.700 0.320 0.000 1.213 99 E HN 0.445 8.805 8.360 -0.000 0.000 0.426 100 P HA 0.003 4.423 4.420 -0.000 0.000 0.266 100 P C -0.223 177.087 177.300 0.017 0.000 1.195 100 P CA 0.044 63.174 63.100 0.049 0.000 0.768 100 P CB 0.672 32.214 31.700 -0.263 0.000 0.838 101 K N 1.421 121.835 120.400 0.023 0.000 2.288 101 K HA 0.037 4.359 4.320 0.003 0.000 0.201 101 K C 0.886 177.464 176.600 -0.037 0.000 1.048 101 K CA 0.987 57.283 56.287 0.015 0.000 0.956 101 K CB -0.073 32.449 32.500 0.037 0.000 0.746 101 K HN 0.657 8.907 8.250 -0.000 0.000 0.461 102 G N -0.781 107.962 108.800 -0.094 0.000 3.166 102 G HA2 0.232 4.194 3.960 0.003 0.000 0.267 102 G HA3 0.232 4.194 3.960 0.003 0.000 0.267 102 G C -0.195 174.602 174.900 -0.171 0.000 1.256 102 G CA -0.624 44.409 45.100 -0.113 0.000 0.859 102 G HN 0.006 8.296 8.290 -0.000 0.000 0.590 103 R N -1.378 119.022 120.500 -0.167 0.000 2.210 103 R HA 0.195 4.536 4.340 0.003 0.000 0.203 103 R C 0.001 176.130 176.300 -0.286 0.000 1.010 103 R CA 0.428 56.407 56.100 -0.201 0.000 1.008 103 R CB 0.283 30.503 30.300 -0.135 0.000 0.923 103 R HN 0.157 8.427 8.270 -0.000 0.000 0.469 104 V N 1.784 121.531 119.914 -0.278 0.000 2.448 104 V HA 0.288 4.409 4.120 0.003 0.000 0.295 104 V C -0.306 175.554 176.094 -0.390 0.000 1.025 104 V CA -0.765 61.348 62.300 -0.312 0.000 0.859 104 V CB 2.228 33.930 31.823 -0.202 0.000 0.988 104 V HN -0.199 7.991 8.190 -0.000 0.000 0.431 105 V N 5.936 125.543 119.914 -0.511 0.000 2.350 105 V HA 0.403 4.525 4.120 0.003 0.000 0.285 105 V C -0.375 175.539 176.094 -0.299 0.000 1.014 105 V CA -0.542 61.421 62.300 -0.562 0.000 0.831 105 V CB 1.558 32.875 31.823 -0.843 0.000 1.000 105 V HN 0.689 8.879 8.190 -0.000 0.000 0.433 106 L N 7.074 128.169 121.223 -0.213 0.000 2.281 106 L HA 0.557 4.899 4.340 0.003 0.000 0.285 106 L C -0.257 176.598 176.870 -0.026 0.000 1.074 106 L CA 0.399 55.188 54.840 -0.085 0.000 0.817 106 L CB 1.340 43.368 42.059 -0.051 0.000 1.168 106 L HN 0.449 8.679 8.230 -0.000 0.000 0.434 107 V N 6.524 126.447 119.914 0.015 0.000 2.370 107 V HA 0.565 4.687 4.120 0.003 0.000 0.283 107 V C -0.005 176.083 176.094 -0.010 0.000 1.023 107 V CA -0.387 61.941 62.300 0.047 0.000 0.857 107 V CB 1.418 33.274 31.823 0.054 0.000 0.985 107 V HN 0.685 8.875 8.190 -0.000 0.000 0.443 108 V N 2.168 122.044 119.914 -0.063 0.000 3.113 108 V HA 1.167 5.289 4.120 0.003 0.000 0.316 108 V C 0.102 175.931 176.094 -0.442 0.000 1.125 108 V CA -0.161 62.022 62.300 -0.196 0.000 1.026 108 V CB 1.655 33.386 31.823 -0.154 0.000 1.080 108 V HN 1.377 9.567 8.190 -0.000 0.000 0.444 109 G N 0.027 108.410 108.800 -0.695 0.000 2.350 109 G HA2 0.541 4.503 3.960 0.003 0.000 0.304 109 G HA3 0.541 4.503 3.960 0.003 0.000 0.304 109 G C -0.945 173.851 174.900 -0.173 0.000 1.421 109 G CA -0.090 44.619 45.100 -0.651 0.000 0.934 109 G HN 2.087 10.377 8.290 -0.000 0.000 0.632 110 V N -0.607 119.309 119.914 0.002 0.000 2.834 110 V HA 0.624 4.746 4.120 0.003 0.000 0.301 110 V C 0.533 176.652 176.094 0.042 0.000 1.066 110 V CA -1.227 61.147 62.300 0.124 0.000 1.052 110 V CB 1.224 33.131 31.823 0.140 0.000 1.021 110 V HN 0.691 8.881 8.190 -0.000 0.000 0.480 111 N N 1.930 120.659 118.700 0.049 0.000 2.395 111 N HA 0.307 5.049 4.740 0.003 0.000 0.246 111 N C 1.265 176.789 175.510 0.022 0.000 1.246 111 N CA 1.384 54.451 53.050 0.029 0.000 0.879 111 N CB 0.749 39.257 38.487 0.036 0.000 1.098 111 N HN 1.554 9.934 8.380 -0.000 0.000 0.444 112 G N -0.748 108.060 108.800 0.012 0.000 2.179 112 G HA2 -0.302 3.660 3.960 0.003 0.000 0.260 112 G HA3 -0.302 3.660 3.960 0.003 0.000 0.260 112 G C 0.766 175.665 174.900 -0.002 0.000 0.977 112 G CA 0.538 45.644 45.100 0.010 0.000 0.641 112 G HN 0.647 8.937 8.290 -0.000 0.000 0.533 113 V N -2.434 117.471 119.914 -0.016 0.000 3.406 113 V HA 0.577 4.698 4.120 0.003 0.000 0.263 113 V C 1.839 177.905 176.094 -0.046 0.000 1.172 113 V CA 1.401 63.682 62.300 -0.032 0.000 1.140 113 V CB -0.037 31.757 31.823 -0.048 0.000 0.784 113 V HN 2.234 10.424 8.190 -0.000 0.000 0.467 114 G N 0.476 109.248 108.800 -0.047 0.000 2.151 114 G HA2 -0.231 3.731 3.960 0.003 0.000 0.156 114 G HA3 -0.231 3.731 3.960 0.003 0.000 0.156 114 G C 0.550 175.388 174.900 -0.103 0.000 1.017 114 G CA 0.385 45.446 45.100 -0.065 0.000 0.686 114 G HN 0.512 8.802 8.290 -0.000 0.000 0.503 115 K N -0.212 120.133 120.400 -0.092 0.000 1.985 115 K HA -0.065 4.257 4.320 0.003 0.000 0.210 115 K C 2.716 179.222 176.600 -0.157 0.000 1.047 115 K CA 2.342 58.562 56.287 -0.112 0.000 0.932 115 K CB -0.280 32.170 32.500 -0.082 0.000 0.716 115 K HN 0.310 8.560 8.250 -0.000 0.000 0.439 116 T N 0.234 114.713 114.554 -0.125 0.000 2.684 116 T HA -0.144 4.208 4.350 0.003 0.000 0.267 116 T C 1.825 176.335 174.700 -0.316 0.000 1.036 116 T CA 2.023 64.029 62.100 -0.157 0.000 1.148 116 T CB -0.604 68.261 68.868 -0.005 0.000 0.863 116 T HN 0.366 8.606 8.240 -0.000 0.000 0.436 117 T N 1.723 116.126 114.554 -0.251 0.000 2.788 117 T HA -0.100 4.252 4.350 0.003 0.000 0.268 117 T C 2.273 176.677 174.700 -0.493 0.000 1.044 117 T CA 1.506 63.357 62.100 -0.415 0.000 1.139 117 T CB -0.689 68.080 68.868 -0.165 0.000 0.867 117 T HN 0.388 8.628 8.240 -0.000 0.000 0.454 118 T N 2.087 116.431 114.554 -0.350 0.000 2.737 118 T HA 0.067 4.418 4.350 0.003 0.000 0.265 118 T C 1.991 176.419 174.700 -0.453 0.000 1.038 118 T CA 0.795 62.690 62.100 -0.341 0.000 1.144 118 T CB -0.407 68.321 68.868 -0.232 0.000 0.866 118 T HN 0.314 8.554 8.240 -0.000 0.000 0.434 119 I N 1.355 121.630 120.570 -0.491 0.000 2.163 119 I HA -0.239 3.933 4.170 0.003 0.000 0.243 119 I C 2.896 178.534 176.117 -0.798 0.000 1.085 119 I CA 1.231 62.122 61.300 -0.681 0.000 1.347 119 I CB -0.488 37.100 38.000 -0.687 0.000 1.044 119 I HN 0.199 8.409 8.210 -0.000 0.000 0.408 120 A N 0.826 123.163 122.820 -0.805 0.000 1.883 120 A HA -0.260 4.061 4.320 0.003 0.000 0.217 120 A C 2.298 179.617 177.584 -0.441 0.000 1.186 120 A CA 1.923 53.552 52.037 -0.680 0.000 0.624 120 A CB -0.509 17.536 19.000 -1.591 0.000 0.822 120 A HN 0.356 8.506 8.150 -0.000 0.000 0.444 121 K N -0.517 119.573 120.400 -0.517 0.000 2.148 121 K HA 0.037 4.358 4.320 0.003 0.000 0.204 121 K C 1.836 178.256 176.600 -0.299 0.000 1.050 121 K CA 1.102 57.183 56.287 -0.344 0.000 0.942 121 K CB -0.323 31.976 32.500 -0.335 0.000 0.724 121 K HN 0.455 8.705 8.250 -0.000 0.000 0.446 122 L N 0.128 121.088 121.223 -0.438 0.000 2.017 122 L HA -0.135 4.207 4.340 0.003 0.000 0.208 122 L C 2.562 179.327 176.870 -0.175 0.000 1.073 122 L CA 1.465 56.014 54.840 -0.485 0.000 0.745 122 L CB -0.873 40.659 42.059 -0.878 0.000 0.894 122 L HN 0.350 8.580 8.230 -0.000 0.000 0.432 123 G N -0.101 108.647 108.800 -0.087 0.000 2.476 123 G HA2 -0.357 3.605 3.960 0.003 0.000 0.218 123 G HA3 -0.357 3.605 3.960 0.003 0.000 0.218 123 G C 1.668 176.666 174.900 0.164 0.000 1.164 123 G CA 1.089 46.343 45.100 0.257 0.000 0.768 123 G HN 0.215 8.505 8.290 -0.000 0.000 0.560 124 R N -0.298 120.254 120.500 0.086 0.000 2.073 124 R HA -0.118 4.224 4.340 0.003 0.000 0.234 124 R C 2.236 178.561 176.300 0.042 0.000 1.134 124 R CA 1.660 57.796 56.100 0.061 0.000 0.952 124 R CB -1.187 29.132 30.300 0.032 0.000 0.850 124 R HN 0.433 8.703 8.270 -0.000 0.000 0.433 125 Y N -0.310 119.921 120.300 -0.115 0.000 2.145 125 Y HA -0.240 4.312 4.550 0.003 0.000 0.286 125 Y C 1.474 177.273 175.900 -0.169 0.000 1.145 125 Y CA 1.991 59.978 58.100 -0.189 0.000 1.148 125 Y CB -0.424 37.822 38.460 -0.357 0.000 0.981 125 Y HN 0.137 8.417 8.280 -0.000 0.000 0.507 126 Y N 0.796 121.167 120.300 0.119 0.000 2.337 126 Y HA -0.180 4.372 4.550 0.003 0.000 0.293 126 Y C 2.682 178.592 175.900 0.017 0.000 1.123 126 Y CA 1.494 59.648 58.100 0.090 0.000 1.201 126 Y CB -0.765 37.879 38.460 0.307 0.000 1.011 126 Y HN 0.408 8.688 8.280 -0.000 0.000 0.545 127 Q N -0.302 119.592 119.800 0.156 0.000 2.224 127 Q HA -0.149 4.193 4.340 0.003 0.000 0.203 127 Q C 1.310 177.311 176.000 0.002 0.000 0.970 127 Q CA 1.500 57.346 55.803 0.072 0.000 0.865 127 Q CB -0.337 28.436 28.738 0.059 0.000 0.922 127 Q HN 0.244 8.514 8.270 -0.000 0.000 0.445 128 N N 1.042 119.713 118.700 -0.049 0.000 2.309 128 N HA -0.029 4.713 4.740 0.003 0.000 0.182 128 N C 1.312 176.755 175.510 -0.113 0.000 1.018 128 N CA 0.871 53.869 53.050 -0.087 0.000 0.876 128 N CB -0.010 38.410 38.487 -0.112 0.000 0.972 128 N HN 0.340 8.720 8.380 -0.000 0.000 0.434 129 L N -0.687 120.448 121.223 -0.147 0.000 2.627 129 L HA 0.186 4.528 4.340 0.003 0.000 0.233 129 L C 1.252 178.113 176.870 -0.014 0.000 1.144 129 L CA 0.254 55.037 54.840 -0.094 0.000 0.892 129 L CB -0.311 41.681 42.059 -0.112 0.000 1.039 129 L HN 0.204 8.434 8.230 -0.000 0.000 0.442 130 G N -0.800 107.996 108.800 -0.008 0.000 2.176 130 G HA2 -0.210 3.752 3.960 0.003 0.000 0.232 130 G HA3 -0.210 3.752 3.960 0.003 0.000 0.232 130 G C 0.285 175.184 174.900 -0.002 0.000 0.986 130 G CA -0.414 44.682 45.100 -0.006 0.000 0.643 130 G HN 0.170 8.460 8.290 -0.000 0.000 0.522 131 K N 0.886 121.310 120.400 0.041 0.000 2.237 131 K HA 0.369 4.691 4.320 0.003 0.000 0.270 131 K C 0.391 176.984 176.600 -0.012 0.000 1.015 131 K CA -0.131 56.177 56.287 0.035 0.000 0.949 131 K CB 0.881 33.456 32.500 0.125 0.000 0.976 131 K HN 0.315 8.565 8.250 -0.000 0.000 0.472 132 K N 1.662 121.999 120.400 -0.105 0.000 2.267 132 K HA 0.268 4.590 4.320 0.003 0.000 0.282 132 K C -0.495 176.108 176.600 0.004 0.000 1.078 132 K CA -0.412 55.721 56.287 -0.257 0.000 0.903 132 K CB 0.940 33.015 32.500 -0.709 0.000 1.111 132 K HN 0.181 8.431 8.250 -0.000 0.000 0.475 133 V N 4.483 124.507 119.914 0.182 0.000 2.628 133 V HA 0.481 4.603 4.120 0.003 0.000 0.306 133 V C -0.370 175.869 176.094 0.242 0.000 1.045 133 V CA -0.929 61.528 62.300 0.262 0.000 0.905 133 V CB 1.792 33.764 31.823 0.248 0.000 0.997 133 V HN 0.781 8.971 8.190 -0.000 0.000 0.436 134 M N 3.502 123.187 119.600 0.141 0.000 2.591 134 M HA 0.729 5.211 4.480 0.003 0.000 0.306 134 M C -2.038 174.342 176.300 0.133 0.000 1.190 134 M CA -0.383 54.875 55.300 -0.070 0.000 0.889 134 M CB 2.253 34.735 32.600 -0.198 0.000 1.728 134 M HN 0.496 8.786 8.290 -0.000 0.000 0.458 135 F N 1.308 121.302 119.950 0.073 0.000 2.538 135 F HA 0.601 5.129 4.527 0.003 0.000 0.325 135 F C -0.290 175.530 175.800 0.033 0.000 1.066 135 F CA -1.800 56.255 58.000 0.091 0.000 0.946 135 F CB 1.663 40.721 39.000 0.096 0.000 1.199 135 F HN 0.555 8.855 8.300 -0.000 0.000 0.473 136 C N 2.421 121.864 119.300 0.239 0.000 2.322 136 C HA 0.800 5.262 4.460 0.003 0.000 0.324 136 C C 0.319 175.365 174.990 0.093 0.000 1.249 136 C CA -0.583 58.505 59.018 0.117 0.000 1.453 136 C CB -0.536 27.240 27.740 0.060 0.000 2.145 136 C HN 0.909 9.139 8.230 -0.000 0.000 0.466 137 A N 4.367 127.239 122.820 0.087 0.000 3.063 137 A HA 0.438 4.760 4.320 0.003 0.000 0.263 137 A C 1.396 179.004 177.584 0.041 0.000 1.736 137 A CA 0.489 52.564 52.037 0.064 0.000 1.408 137 A CB -0.653 18.392 19.000 0.074 0.000 1.108 137 A HN 1.389 9.539 8.150 -0.000 0.000 0.621 138 G N -0.178 108.642 108.800 0.033 0.000 2.920 138 G HA2 -0.013 3.949 3.960 0.003 0.000 0.208 138 G HA3 -0.013 3.949 3.960 0.003 0.000 0.208 138 G C 0.426 175.339 174.900 0.021 0.000 1.159 138 G CA 0.209 45.324 45.100 0.026 0.000 0.784 138 G HN 0.566 8.856 8.290 -0.000 0.000 0.535 139 D N 2.013 122.424 120.400 0.019 0.000 2.551 139 D HA 0.157 4.799 4.640 0.003 0.000 0.223 139 D C 1.254 177.564 176.300 0.016 0.000 1.144 139 D CA -0.135 53.876 54.000 0.018 0.000 1.025 139 D CB -0.214 40.596 40.800 0.016 0.000 1.085 139 D HN 0.243 8.613 8.370 -0.000 0.000 0.506 148 Q N 0.855 120.691 119.800 0.060 0.000 2.061 148 Q HA 0.017 4.358 4.340 0.003 0.000 0.204 148 Q C 2.145 178.268 176.000 0.205 0.000 0.984 148 Q CA 1.944 57.802 55.803 0.091 0.000 0.846 148 Q CB -0.639 28.189 28.738 0.150 0.000 0.902 148 Q HN 0.408 8.678 8.270 -0.000 0.000 0.421 149 L N -0.120 121.235 121.223 0.221 0.000 2.012 149 L HA -0.168 4.174 4.340 0.003 0.000 0.210 149 L C 2.397 179.444 176.870 0.295 0.000 1.073 149 L CA 2.306 57.307 54.840 0.270 0.000 0.748 149 L CB -1.241 40.895 42.059 0.129 0.000 0.891 149 L HN 0.345 8.575 8.230 -0.000 0.000 0.431 150 S N -0.872 114.938 115.700 0.184 0.000 2.374 150 S HA -0.267 4.204 4.470 0.003 0.000 0.227 150 S C 1.885 176.562 174.600 0.128 0.000 1.037 150 S CA 1.883 60.171 58.200 0.146 0.000 1.024 150 S CB -0.297 62.953 63.200 0.083 0.000 0.861 150 S HN 0.636 8.946 8.310 -0.000 0.000 0.456 151 E N -0.812 119.430 120.200 0.070 0.000 2.106 151 E HA -0.135 4.217 4.350 0.003 0.000 0.192 151 E C 1.836 178.429 176.600 -0.012 0.000 0.984 151 E CA 1.208 57.589 56.400 -0.033 0.000 0.806 151 E CB -0.261 29.340 29.700 -0.164 0.000 0.750 151 E HN 0.712 9.072 8.360 -0.000 0.000 0.458 152 W N 0.963 122.318 121.300 0.092 0.000 2.355 152 W HA -0.114 4.548 4.660 0.003 0.000 0.309 152 W C 2.561 179.185 176.519 0.176 0.000 1.206 152 W CA 1.032 58.456 57.345 0.131 0.000 1.284 152 W CB -0.584 28.964 29.460 0.146 0.000 1.145 152 W HN 0.153 8.333 8.180 -0.000 0.000 0.502 153 G N 0.400 109.472 108.800 0.453 0.000 2.446 153 G HA2 -0.285 3.677 3.960 0.003 0.000 0.217 153 G HA3 -0.285 3.677 3.960 0.003 0.000 0.217 153 G C 1.460 176.436 174.900 0.127 0.000 1.168 153 G CA 1.225 46.470 45.100 0.241 0.000 0.771 153 G HN 0.170 8.460 8.290 -0.000 0.000 0.551 154 K N -0.095 120.369 120.400 0.106 0.000 1.991 154 K HA -0.122 4.200 4.320 0.003 0.000 0.212 154 K C 2.601 179.237 176.600 0.060 0.000 1.049 154 K CA 1.330 57.651 56.287 0.057 0.000 0.932 154 K CB -0.237 32.280 32.500 0.029 0.000 0.717 154 K HN 0.229 8.479 8.250 -0.000 0.000 0.441 155 R N 1.137 121.679 120.500 0.070 0.000 2.103 155 R HA -0.140 4.202 4.340 0.003 0.000 0.242 155 R C 1.899 178.270 176.300 0.118 0.000 1.142 155 R CA 1.430 57.576 56.100 0.076 0.000 0.960 155 R CB -0.170 30.168 30.300 0.064 0.000 0.858 155 R HN 0.152 8.422 8.270 -0.000 0.000 0.439 156 L N 0.398 121.719 121.223 0.164 0.000 2.592 156 L HA 0.159 4.501 4.340 0.003 0.000 0.227 156 L C 0.275 177.183 176.870 0.063 0.000 1.127 156 L CA -0.005 54.915 54.840 0.134 0.000 0.884 156 L CB 0.361 42.529 42.059 0.182 0.000 1.065 156 L HN 0.125 8.355 8.230 -0.000 0.000 0.457 157 S N 0.814 116.543 115.700 0.049 0.000 3.614 157 S HA -0.162 4.310 4.470 0.003 0.000 0.360 157 S C 0.101 174.700 174.600 -0.001 0.000 1.023 157 S CA 0.470 58.685 58.200 0.025 0.000 1.114 157 S CB -1.583 61.633 63.200 0.026 0.000 0.907 157 S HN 0.313 8.623 8.310 -0.000 0.000 0.470 158 I N 2.361 122.899 120.570 -0.054 0.000 2.378 158 I HA 0.349 4.521 4.170 0.003 0.000 0.291 158 I C -1.995 174.027 176.117 -0.159 0.000 0.992 158 I CA -2.462 58.735 61.300 -0.172 0.000 1.154 158 I CB 1.746 39.431 38.000 -0.524 0.000 1.315 158 I HN -0.057 8.153 8.210 -0.000 0.000 0.448 159 P HA 0.120 4.540 4.420 -0.000 0.000 0.271 159 P C -0.843 176.390 177.300 -0.112 0.000 1.216 159 P CA -0.098 62.933 63.100 -0.115 0.000 0.776 159 P CB 1.187 32.783 31.700 -0.174 0.000 0.881 160 V N 4.548 124.453 119.914 -0.015 0.000 2.444 160 V HA 0.246 4.368 4.120 0.003 0.000 0.294 160 V C 0.391 176.510 176.094 0.042 0.000 1.022 160 V CA -0.792 61.557 62.300 0.081 0.000 0.850 160 V CB 1.694 33.620 31.823 0.172 0.000 0.992 160 V HN 0.388 8.578 8.190 -0.000 0.000 0.426 161 I N 5.902 126.497 120.570 0.042 0.000 2.396 161 I HA 0.389 4.561 4.170 0.003 0.000 0.289 161 I C 0.255 176.397 176.117 0.041 0.000 1.056 161 I CA 0.280 61.591 61.300 0.018 0.000 1.365 161 I CB 0.751 38.750 38.000 -0.001 0.000 1.407 161 I HN 0.895 9.105 8.210 -0.000 0.000 0.509 162 Q N 5.178 124.996 119.800 0.031 0.000 2.462 162 Q HA 0.836 5.178 4.340 0.003 0.000 0.285 162 Q C -1.068 174.947 176.000 0.024 0.000 1.035 162 Q CA -1.052 54.773 55.803 0.035 0.000 0.799 162 Q CB 2.680 31.444 28.738 0.044 0.000 1.452 162 Q HN 0.610 8.880 8.270 -0.000 0.000 0.404 163 G N 0.879 109.693 108.800 0.022 0.000 2.730 163 G HA2 0.731 4.693 3.960 0.003 0.000 0.289 163 G HA3 0.731 4.693 3.960 0.003 0.000 0.289 163 G C -2.710 172.198 174.900 0.013 0.000 1.341 163 G CA -1.318 43.792 45.100 0.016 0.000 0.932 163 G HN 0.600 8.890 8.290 -0.000 0.000 0.481 164 P HA 0.206 4.626 4.420 -0.000 0.000 0.274 164 P C -0.014 177.289 177.300 0.005 0.000 1.237 164 P CA -0.446 62.658 63.100 0.007 0.000 0.793 164 P CB 0.908 32.611 31.700 0.005 0.000 0.977 165 E N 0.788 120.990 120.200 0.004 0.000 3.056 165 E HA -0.051 4.301 4.350 0.003 0.000 0.264 165 E C 0.567 177.164 176.600 -0.004 0.000 0.899 165 E CA 0.804 57.204 56.400 0.001 0.000 0.966 165 E CB -0.448 29.253 29.700 0.001 0.000 0.913 165 E HN 0.768 9.128 8.360 -0.000 0.000 0.522 166 G N 4.305 113.101 108.800 -0.007 0.000 2.137 166 G HA2 -0.256 3.706 3.960 0.003 0.000 0.241 166 G HA3 -0.256 3.706 3.960 0.003 0.000 0.241 166 G C 0.033 174.924 174.900 -0.014 0.000 0.689 166 G CA 0.729 45.819 45.100 -0.016 0.000 1.099 166 G HN 0.505 8.795 8.290 -0.000 0.000 0.332 167 T N 1.222 115.771 114.554 -0.008 0.000 2.934 167 T HA 0.378 4.729 4.350 0.003 0.000 0.283 167 T C 0.440 175.135 174.700 -0.009 0.000 1.005 167 T CA -0.142 61.955 62.100 -0.005 0.000 1.041 167 T CB 1.274 70.145 68.868 0.005 0.000 1.042 167 T HN 0.575 8.815 8.240 -0.000 0.000 0.505 168 D N 2.513 122.909 120.400 -0.007 0.000 2.412 168 D HA 0.078 4.719 4.640 0.003 0.000 0.257 168 D C -1.165 175.138 176.300 0.005 0.000 1.217 168 D CA -1.939 52.057 54.000 -0.007 0.000 0.897 168 D CB 1.019 41.816 40.800 -0.006 0.000 1.132 168 D HN 0.082 8.452 8.370 -0.000 0.000 0.493 169 P HA -0.124 4.296 4.420 -0.000 0.000 0.220 169 P C 0.902 178.219 177.300 0.027 0.000 1.148 169 P CA 0.944 64.054 63.100 0.016 0.000 0.803 169 P CB 0.156 31.864 31.700 0.014 0.000 0.782 170 A N 0.679 123.514 122.820 0.025 0.000 1.872 170 A HA 0.045 4.367 4.320 0.003 0.000 0.214 170 A C 2.479 180.096 177.584 0.055 0.000 1.187 170 A CA 1.846 53.905 52.037 0.036 0.000 0.614 170 A CB -1.479 17.534 19.000 0.021 0.000 0.826 170 A HN 0.204 8.354 8.150 -0.000 0.000 0.442 171 A N -0.600 122.242 122.820 0.036 0.000 1.933 171 A HA -0.030 4.292 4.320 0.003 0.000 0.218 171 A C 2.112 179.753 177.584 0.094 0.000 1.175 171 A CA 1.687 53.753 52.037 0.049 0.000 0.628 171 A CB -0.587 18.421 19.000 0.013 0.000 0.814 171 A HN 0.535 8.685 8.150 -0.000 0.000 0.444 172 L N -0.242 121.017 121.223 0.061 0.000 2.017 172 L HA -0.109 4.233 4.340 0.003 0.000 0.208 172 L C 2.792 179.697 176.870 0.058 0.000 1.073 172 L CA 2.183 57.055 54.840 0.054 0.000 0.745 172 L CB -0.754 41.326 42.059 0.036 0.000 0.894 172 L HN 0.359 8.589 8.230 -0.000 0.000 0.432 173 A N -1.599 121.257 122.820 0.060 0.000 1.902 173 A HA -0.311 4.011 4.320 0.003 0.000 0.217 173 A C 2.312 179.927 177.584 0.051 0.000 1.181 173 A CA 1.915 53.978 52.037 0.043 0.000 0.623 173 A CB -1.249 17.776 19.000 0.041 0.000 0.818 173 A HN 0.615 8.765 8.150 -0.000 0.000 0.443 174 Y N 1.234 121.523 120.300 -0.019 0.000 2.128 174 Y HA -0.273 4.279 4.550 0.003 0.000 0.284 174 Y C 1.901 177.787 175.900 -0.023 0.000 1.154 174 Y CA 2.263 60.351 58.100 -0.021 0.000 1.149 174 Y CB -0.214 38.236 38.460 -0.016 0.000 0.976 174 Y HN 0.366 8.646 8.280 -0.000 0.000 0.505 175 D N 0.028 120.486 120.400 0.096 0.000 2.182 175 D HA -0.186 4.456 4.640 0.003 0.000 0.201 175 D C 2.215 178.464 176.300 -0.085 0.000 0.986 175 D CA 1.376 55.376 54.000 0.000 0.000 0.847 175 D CB -0.554 40.275 40.800 0.048 0.000 0.942 175 D HN 0.514 8.884 8.370 -0.000 0.000 0.467 176 A N 0.433 123.213 122.820 -0.068 0.000 1.898 176 A HA -0.098 4.223 4.320 0.003 0.000 0.216 176 A C 2.502 180.007 177.584 -0.132 0.000 1.181 176 A CA 1.038 53.024 52.037 -0.085 0.000 0.620 176 A CB -0.638 18.335 19.000 -0.044 0.000 0.819 176 A HN 0.142 8.292 8.150 -0.000 0.000 0.442 177 V N 0.181 119.998 119.914 -0.163 0.000 2.343 177 V HA -0.263 3.859 4.120 0.003 0.000 0.247 177 V C 2.699 178.665 176.094 -0.214 0.000 1.051 177 V CA 1.962 64.150 62.300 -0.186 0.000 1.036 177 V CB -0.831 30.870 31.823 -0.203 0.000 0.654 177 V HN 0.534 8.724 8.190 -0.000 0.000 0.451 178 Q N -0.001 119.621 119.800 -0.297 0.000 2.096 178 Q HA -0.181 4.161 4.340 0.003 0.000 0.204 178 Q C 2.474 178.383 176.000 -0.150 0.000 0.982 178 Q CA 2.004 57.659 55.803 -0.247 0.000 0.850 178 Q CB -0.618 27.943 28.738 -0.294 0.000 0.901 178 Q HN 0.661 8.931 8.270 -0.000 0.000 0.422 179 A N 1.211 123.945 122.820 -0.142 0.000 1.902 179 A HA -0.167 4.155 4.320 0.003 0.000 0.217 179 A C 2.089 179.592 177.584 -0.136 0.000 1.181 179 A CA 1.599 53.559 52.037 -0.128 0.000 0.623 179 A CB -0.618 18.297 19.000 -0.142 0.000 0.818 179 A HN 0.426 8.576 8.150 -0.000 0.000 0.443 180 M N -0.556 118.957 119.600 -0.144 0.000 2.117 180 M HA -0.200 4.282 4.480 0.003 0.000 0.262 180 M C 1.858 178.153 176.300 -0.008 0.000 1.065 180 M CA 2.130 57.376 55.300 -0.090 0.000 1.114 180 M CB -0.259 32.291 32.600 -0.084 0.000 1.361 180 M HN 0.364 8.654 8.290 -0.000 0.000 0.408 181 K N 0.274 120.643 120.400 -0.051 0.000 2.025 181 K HA -0.032 4.290 4.320 0.003 0.000 0.207 181 K C 2.066 178.658 176.600 -0.013 0.000 1.049 181 K CA 1.458 57.723 56.287 -0.037 0.000 0.933 181 K CB -0.276 32.183 32.500 -0.069 0.000 0.714 181 K HN 0.454 8.704 8.250 -0.000 0.000 0.438 182 A N 1.314 124.119 122.820 -0.025 0.000 1.930 182 A HA -0.108 4.214 4.320 0.003 0.000 0.217 182 A C 1.785 179.384 177.584 0.024 0.000 1.175 182 A CA 1.167 53.197 52.037 -0.010 0.000 0.627 182 A CB -0.224 18.760 19.000 -0.026 0.000 0.815 182 A HN 0.176 8.326 8.150 -0.000 0.000 0.443 183 R N -1.082 119.452 120.500 0.057 0.000 2.334 183 R HA 0.265 4.606 4.340 0.003 0.000 0.220 183 R C 0.950 177.380 176.300 0.217 0.000 0.917 183 R CA 0.463 56.651 56.100 0.147 0.000 1.073 183 R CB -0.036 30.364 30.300 0.167 0.000 1.056 183 R HN 0.616 8.886 8.270 -0.000 0.000 0.506 184 G N 0.823 109.706 108.800 0.139 0.000 2.246 184 G HA2 -0.326 3.636 3.960 0.003 0.000 0.273 184 G HA3 -0.326 3.636 3.960 0.003 0.000 0.273 184 G C -0.337 174.598 174.900 0.059 0.000 1.055 184 G CA -0.137 45.003 45.100 0.068 0.000 0.851 184 G HN 0.363 8.653 8.290 -0.000 0.000 0.500 185 Y N -0.164 120.107 120.300 -0.049 0.000 2.301 185 Y HA 0.321 4.872 4.550 0.003 0.000 0.325 185 Y C 1.549 177.410 175.900 -0.065 0.000 1.203 185 Y CA -0.334 57.735 58.100 -0.052 0.000 1.255 185 Y CB 0.940 39.367 38.460 -0.056 0.000 1.232 185 Y HN 0.124 8.404 8.280 -0.000 0.000 0.501 186 D N 1.591 122.001 120.400 0.017 0.000 2.240 186 D HA 0.098 4.740 4.640 0.003 0.000 0.206 186 D C -0.301 175.957 176.300 -0.070 0.000 0.963 186 D CA 1.111 55.090 54.000 -0.034 0.000 0.863 186 D CB 0.557 41.327 40.800 -0.049 0.000 0.973 186 D HN 0.298 8.668 8.370 -0.000 0.000 0.501 187 L N 0.736 121.932 121.223 -0.045 0.000 2.455 187 L HA 0.407 4.749 4.340 0.003 0.000 0.264 187 L C -1.404 175.368 176.870 -0.163 0.000 0.968 187 L CA -0.944 53.772 54.840 -0.206 0.000 0.827 187 L CB 3.019 44.922 42.059 -0.259 0.000 1.317 187 L HN -0.175 8.055 8.230 -0.000 0.000 0.407 188 L N 2.533 123.557 121.223 -0.332 0.000 2.376 188 L HA 0.615 4.957 4.340 0.003 0.000 0.275 188 L C -1.559 175.078 176.870 -0.387 0.000 0.987 188 L CA 0.126 54.848 54.840 -0.196 0.000 0.828 188 L CB 1.379 43.353 42.059 -0.141 0.000 1.249 188 L HN 0.236 8.466 8.230 -0.000 0.000 0.409 189 F N 4.955 124.967 119.950 0.104 0.000 2.404 189 F HA 0.524 5.053 4.527 0.003 0.000 0.354 189 F C 0.068 175.872 175.800 0.006 0.000 1.122 189 F CA -0.624 57.394 58.000 0.029 0.000 1.080 189 F CB 1.721 40.752 39.000 0.052 0.000 1.131 189 F HN 0.126 8.426 8.300 -0.000 0.000 0.471 190 V N 3.379 123.336 119.914 0.072 0.000 2.333 190 V HA 0.162 4.284 4.120 0.003 0.000 0.274 190 V C -0.111 175.997 176.094 0.023 0.000 1.028 190 V CA -0.728 61.593 62.300 0.036 0.000 0.851 190 V CB 1.004 32.824 31.823 -0.006 0.000 1.000 190 V HN 0.572 8.762 8.190 -0.000 0.000 0.456 191 D N 3.840 124.245 120.400 0.008 0.000 2.339 191 D HA 0.503 5.145 4.640 0.003 0.000 0.245 191 D C 0.264 176.566 176.300 0.003 0.000 1.115 191 D CA 0.254 54.242 54.000 -0.019 0.000 0.917 191 D CB 1.625 42.401 40.800 -0.041 0.000 1.192 191 D HN 0.726 9.096 8.370 -0.000 0.000 0.428 192 T N -1.113 113.444 114.554 0.004 0.000 2.883 192 T HA 0.755 5.107 4.350 0.003 0.000 0.296 192 T C -0.253 174.465 174.700 0.029 0.000 1.117 192 T CA -0.887 61.228 62.100 0.025 0.000 1.006 192 T CB 1.030 69.924 68.868 0.043 0.000 1.191 192 T HN 0.422 8.662 8.240 -0.000 0.000 0.508 193 A N -0.359 122.487 122.820 0.043 0.000 2.425 193 A HA 0.630 4.952 4.320 0.003 0.000 0.242 193 A C 1.188 178.818 177.584 0.077 0.000 1.077 193 A CA -0.006 52.059 52.037 0.047 0.000 0.781 193 A CB -0.440 18.584 19.000 0.040 0.000 1.020 193 A HN 1.588 9.738 8.150 -0.000 0.000 0.494 194 G N 0.461 109.303 108.800 0.071 0.000 4.008 194 G HA2 0.231 4.193 3.960 0.003 0.000 0.278 194 G HA3 0.231 4.193 3.960 0.003 0.000 0.278 194 G C 0.412 175.360 174.900 0.081 0.000 1.021 194 G CA -0.397 44.766 45.100 0.105 0.000 0.833 194 G HN 0.624 8.914 8.290 -0.000 0.000 0.454 195 R N 0.857 121.387 120.500 0.049 0.000 2.296 195 R HA 0.274 4.616 4.340 0.003 0.000 0.323 195 R C 0.633 176.920 176.300 -0.021 0.000 1.067 195 R CA -0.566 55.550 56.100 0.026 0.000 0.946 195 R CB 0.987 31.305 30.300 0.031 0.000 0.991 195 R HN 0.076 8.346 8.270 -0.000 0.000 0.448 196 L N 3.041 124.210 121.223 -0.090 0.000 2.375 196 L HA 0.020 4.361 4.340 0.003 0.000 0.215 196 L C 0.749 177.304 176.870 -0.525 0.000 1.108 196 L CA 1.451 56.100 54.840 -0.317 0.000 0.830 196 L CB -0.085 41.727 42.059 -0.413 0.000 0.959 196 L HN 0.624 8.854 8.230 -0.000 0.000 0.457 197 H N -1.289 117.793 119.070 0.019 0.000 2.562 197 H HA 0.290 4.848 4.556 0.003 0.000 0.249 197 H C 0.630 175.972 175.328 0.022 0.000 1.195 197 H CA 0.234 56.291 56.048 0.014 0.000 0.938 197 H CB -0.038 29.730 29.762 0.010 0.000 1.891 197 H HN 0.170 8.450 8.280 -0.000 0.000 0.595 198 T N -2.228 112.377 114.554 0.085 0.000 2.771 198 T HA 0.155 4.507 4.350 0.003 0.000 0.290 198 T C 1.609 176.366 174.700 0.096 0.000 1.005 198 T CA -0.619 61.533 62.100 0.088 0.000 0.944 198 T CB 1.787 70.700 68.868 0.074 0.000 1.147 198 T HN 0.112 8.352 8.240 -0.000 0.000 0.534 199 K N -0.382 120.093 120.400 0.125 0.000 2.097 199 K HA -0.040 4.282 4.320 0.003 0.000 0.206 199 K C 0.798 177.451 176.600 0.088 0.000 1.049 199 K CA 1.092 57.455 56.287 0.127 0.000 0.933 199 K CB -0.202 32.414 32.500 0.194 0.000 0.717 199 K HN 0.594 8.844 8.250 -0.000 0.000 0.442 200 H N 0.783 119.855 119.070 0.004 0.000 2.473 200 H HA 0.069 4.627 4.556 0.003 0.000 0.327 200 H C -0.224 175.096 175.328 -0.013 0.000 1.105 200 H CA -0.818 55.229 56.048 -0.003 0.000 1.280 200 H CB 0.915 30.677 29.762 -0.001 0.000 1.450 200 H HN 0.087 8.367 8.280 -0.000 0.000 0.492 201 N N 2.929 121.660 118.700 0.051 0.000 2.447 201 N HA -0.106 4.636 4.740 0.003 0.000 0.263 201 N C 0.928 176.445 175.510 0.011 0.000 1.226 201 N CA -0.083 52.970 53.050 0.004 0.000 0.906 201 N CB 0.874 39.349 38.487 -0.022 0.000 1.060 201 N HN 0.454 8.834 8.380 -0.000 0.000 0.468 202 L N 5.713 126.918 121.223 -0.030 0.000 2.056 202 L HA -0.080 4.261 4.340 0.003 0.000 0.207 202 L C 2.073 178.924 176.870 -0.033 0.000 1.078 202 L CA 1.516 56.341 54.840 -0.025 0.000 0.749 202 L CB -0.345 41.680 42.059 -0.057 0.000 0.901 202 L HN 0.604 8.834 8.230 -0.000 0.000 0.433 203 M N -0.803 118.744 119.600 -0.088 0.000 2.159 203 M HA -0.118 4.364 4.480 0.003 0.000 0.263 203 M C 2.071 178.355 176.300 -0.026 0.000 1.063 203 M CA 1.268 56.519 55.300 -0.083 0.000 1.110 203 M CB -1.347 31.176 32.600 -0.129 0.000 1.374 203 M HN 0.239 8.529 8.290 -0.000 0.000 0.411 204 E N 0.194 120.384 120.200 -0.016 0.000 2.152 204 E HA -0.152 4.200 4.350 0.003 0.000 0.192 204 E C 1.918 178.531 176.600 0.021 0.000 0.983 204 E CA 0.771 57.172 56.400 0.002 0.000 0.818 204 E CB -0.283 29.418 29.700 0.002 0.000 0.758 204 E HN 0.631 8.991 8.360 -0.000 0.000 0.467 205 E N 0.327 120.547 120.200 0.033 0.000 2.077 205 E HA -0.178 4.173 4.350 0.003 0.000 0.193 205 E C 1.888 178.511 176.600 0.038 0.000 0.989 205 E CA 0.601 57.026 56.400 0.041 0.000 0.800 205 E CB 0.113 29.840 29.700 0.045 0.000 0.746 205 E HN 0.027 8.387 8.360 -0.000 0.000 0.452 206 L N 1.507 122.757 121.223 0.045 0.000 2.012 206 L HA -0.187 4.155 4.340 0.003 0.000 0.210 206 L C 2.248 179.142 176.870 0.040 0.000 1.073 206 L CA 1.782 56.657 54.840 0.058 0.000 0.748 206 L CB -0.714 41.403 42.059 0.096 0.000 0.891 206 L HN 0.070 8.300 8.230 -0.000 0.000 0.431 207 K N -0.556 119.859 120.400 0.026 0.000 2.063 207 K HA -0.203 4.119 4.320 0.003 0.000 0.208 207 K C 2.100 178.709 176.600 0.015 0.000 1.048 207 K CA 1.334 57.630 56.287 0.015 0.000 0.928 207 K CB -0.165 32.337 32.500 0.003 0.000 0.713 207 K HN 0.267 8.517 8.250 -0.000 0.000 0.442 208 K N 0.630 121.041 120.400 0.018 0.000 2.063 208 K HA -0.127 4.195 4.320 0.003 0.000 0.208 208 K C 2.091 178.705 176.600 0.023 0.000 1.048 208 K CA 1.276 57.573 56.287 0.017 0.000 0.928 208 K CB -0.145 32.366 32.500 0.020 0.000 0.713 208 K HN -0.063 8.187 8.250 -0.000 0.000 0.442 209 V N 1.683 121.614 119.914 0.027 0.000 2.343 209 V HA -0.269 3.852 4.120 0.003 0.000 0.247 209 V C 2.320 178.430 176.094 0.028 0.000 1.051 209 V CA 1.689 64.008 62.300 0.031 0.000 1.036 209 V CB -0.357 31.484 31.823 0.031 0.000 0.654 209 V HN 0.322 8.512 8.190 -0.000 0.000 0.451 210 K N -0.201 120.212 120.400 0.022 0.000 2.057 210 K HA -0.158 4.164 4.320 0.003 0.000 0.206 210 K C 2.431 179.040 176.600 0.015 0.000 1.050 210 K CA 1.319 57.614 56.287 0.013 0.000 0.935 210 K CB -0.083 32.423 32.500 0.011 0.000 0.715 210 K HN 0.355 8.605 8.250 -0.000 0.000 0.439 211 R N -0.153 120.357 120.500 0.018 0.000 2.081 211 R HA -0.097 4.245 4.340 0.003 0.000 0.235 211 R C 2.340 178.663 176.300 0.039 0.000 1.131 211 R CA 1.238 57.349 56.100 0.019 0.000 0.960 211 R CB -0.283 30.023 30.300 0.009 0.000 0.856 211 R HN 0.206 8.476 8.270 -0.000 0.000 0.436 212 A N 1.173 124.023 122.820 0.050 0.000 1.933 212 A HA -0.129 4.192 4.320 0.003 0.000 0.218 212 A C 2.128 179.819 177.584 0.179 0.000 1.175 212 A CA 1.138 53.238 52.037 0.105 0.000 0.628 212 A CB -0.432 18.624 19.000 0.094 0.000 0.814 212 A HN 0.177 8.327 8.150 -0.000 0.000 0.444 213 I N -0.186 120.437 120.570 0.089 0.000 2.226 213 I HA -0.283 3.889 4.170 0.003 0.000 0.245 213 I C 2.868 179.004 176.117 0.033 0.000 1.100 213 I CA 1.120 62.444 61.300 0.038 0.000 1.374 213 I CB -0.270 37.724 38.000 -0.010 0.000 1.057 213 I HN 0.347 8.557 8.210 -0.000 0.000 0.413 214 A N 0.399 123.241 122.820 0.037 0.000 2.121 214 A HA -0.175 4.147 4.320 0.003 0.000 0.218 214 A C 2.213 179.833 177.584 0.059 0.000 1.154 214 A CA 1.321 53.374 52.037 0.028 0.000 0.679 214 A CB -0.384 18.625 19.000 0.015 0.000 0.795 214 A HN 0.354 8.504 8.150 -0.000 0.000 0.458 215 K N -0.567 119.907 120.400 0.123 0.000 2.228 215 K HA 0.121 4.443 4.320 0.003 0.000 0.202 215 K C 2.059 178.825 176.600 0.275 0.000 1.051 215 K CA 0.820 57.218 56.287 0.184 0.000 0.960 215 K CB -0.094 32.515 32.500 0.181 0.000 0.743 215 K HN 0.432 8.682 8.250 -0.000 0.000 0.458 216 A N 0.699 123.623 122.820 0.175 0.000 1.984 216 A HA -0.040 4.282 4.320 0.003 0.000 0.214 216 A C 0.409 177.940 177.584 -0.087 0.000 1.173 216 A CA 0.759 52.717 52.037 -0.131 0.000 0.673 216 A CB 0.379 19.074 19.000 -0.508 0.000 0.830 216 A HN 0.158 8.308 8.150 -0.000 0.000 0.453 217 D N -1.989 118.385 120.400 -0.045 0.000 2.470 217 D HA 0.287 4.929 4.640 0.003 0.000 0.233 217 D C -2.716 173.570 176.300 -0.023 0.000 1.372 217 D CA -1.344 52.631 54.000 -0.042 0.000 0.994 217 D CB 1.604 42.362 40.800 -0.069 0.000 1.377 217 D HN -0.122 8.248 8.370 -0.000 0.000 0.586 218 P HA 0.003 4.423 4.420 -0.000 0.000 0.230 218 P C 0.843 178.134 177.300 -0.014 0.000 1.158 218 P CA 0.559 63.657 63.100 -0.005 0.000 0.769 218 P CB 0.502 32.203 31.700 0.001 0.000 0.807 219 E N -0.447 119.739 120.200 -0.024 0.000 2.481 219 E HA 0.010 4.362 4.350 0.003 0.000 0.195 219 E C 0.424 177.000 176.600 -0.039 0.000 1.047 219 E CA 0.737 57.120 56.400 -0.028 0.000 0.867 219 E CB 0.190 29.871 29.700 -0.031 0.000 0.858 219 E HN 0.415 8.775 8.360 -0.000 0.000 0.513 220 E N 0.852 121.026 120.200 -0.044 0.000 2.235 220 E HA 0.345 4.697 4.350 0.003 0.000 0.265 220 E C -2.446 174.124 176.600 -0.050 0.000 0.940 220 E CA -2.451 53.911 56.400 -0.063 0.000 0.819 220 E CB 1.489 31.141 29.700 -0.080 0.000 1.206 220 E HN -0.104 8.256 8.360 -0.000 0.000 0.409 221 P HA 0.251 4.671 4.420 -0.000 0.000 0.286 221 P C 0.176 177.416 177.300 -0.099 0.000 1.269 221 P CA -0.327 62.711 63.100 -0.104 0.000 0.787 221 P CB 1.049 32.680 31.700 -0.115 0.000 0.920 222 K N 1.022 121.349 120.400 -0.122 0.000 2.432 222 K HA 0.058 4.379 4.320 0.003 0.000 0.196 222 K C 0.315 176.857 176.600 -0.097 0.000 1.038 222 K CA 0.813 57.047 56.287 -0.089 0.000 0.986 222 K CB 0.448 32.898 32.500 -0.084 0.000 0.782 222 K HN 0.537 8.787 8.250 -0.000 0.000 0.485 223 E N 0.748 120.828 120.200 -0.201 0.000 2.272 223 E HA 0.284 4.636 4.350 0.003 0.000 0.269 223 E C -1.092 175.350 176.600 -0.264 0.000 0.877 223 E CA -0.688 55.544 56.400 -0.279 0.000 0.755 223 E CB 2.725 31.983 29.700 -0.737 0.000 1.192 223 E HN -0.279 8.081 8.360 -0.000 0.000 0.422 224 V N 3.026 122.905 119.914 -0.059 0.000 2.409 224 V HA 0.343 4.465 4.120 0.003 0.000 0.290 224 V C -1.132 175.120 176.094 0.263 0.000 1.017 224 V CA -0.815 61.502 62.300 0.028 0.000 0.841 224 V CB 1.121 32.984 31.823 0.068 0.000 1.003 224 V HN 0.520 8.710 8.190 -0.000 0.000 0.426 225 W N 5.275 126.592 121.300 0.028 0.000 2.471 225 W HA 0.637 5.299 4.660 0.003 0.000 0.318 225 W C -0.464 176.025 176.519 -0.051 0.000 1.034 225 W CA -1.579 55.776 57.345 0.017 0.000 1.224 225 W CB 1.737 31.235 29.460 0.063 0.000 1.335 225 W HN 0.413 8.593 8.180 -0.000 0.000 0.452 226 L N 4.271 125.562 121.223 0.113 0.000 2.292 226 L HA 0.604 4.946 4.340 0.003 0.000 0.284 226 L C -0.634 176.184 176.870 -0.088 0.000 1.065 226 L CA -0.366 54.428 54.840 -0.077 0.000 0.806 226 L CB 1.087 43.089 42.059 -0.096 0.000 1.175 226 L HN 0.097 8.327 8.230 -0.000 0.000 0.431 227 V N 6.707 126.537 119.914 -0.139 0.000 2.394 227 V HA 0.455 4.577 4.120 0.003 0.000 0.282 227 V C 0.054 176.069 176.094 -0.132 0.000 1.031 227 V CA -0.480 61.748 62.300 -0.119 0.000 0.881 227 V CB 1.248 33.008 31.823 -0.106 0.000 0.982 227 V HN 0.628 8.818 8.190 -0.000 0.000 0.451 228 L N 3.305 124.459 121.223 -0.114 0.000 2.386 228 L HA 0.531 4.873 4.340 0.003 0.000 0.271 228 L C -0.154 176.667 176.870 -0.081 0.000 0.993 228 L CA -0.671 54.114 54.840 -0.092 0.000 0.819 228 L CB 2.197 44.201 42.059 -0.091 0.000 1.294 228 L HN 0.558 8.788 8.230 -0.000 0.000 0.414 229 D N 1.298 121.664 120.400 -0.057 0.000 2.424 229 D HA 0.132 4.774 4.640 0.003 0.000 0.244 229 D C 0.569 176.840 176.300 -0.048 0.000 1.134 229 D CA 0.338 54.311 54.000 -0.045 0.000 0.881 229 D CB 2.076 42.861 40.800 -0.025 0.000 1.191 229 D HN 0.678 9.048 8.370 -0.000 0.000 0.445 230 A N 3.994 126.786 122.820 -0.048 0.000 1.832 230 A HA -0.127 4.195 4.320 0.003 0.000 0.214 230 A C 2.383 179.953 177.584 -0.023 0.000 1.200 230 A CA 1.551 53.562 52.037 -0.043 0.000 0.610 230 A CB -0.953 18.025 19.000 -0.037 0.000 0.842 230 A HN 0.554 8.704 8.150 -0.000 0.000 0.444 231 V N 0.012 119.917 119.914 -0.014 0.000 2.233 231 V HA -0.309 3.813 4.120 0.003 0.000 0.256 231 V C 1.997 178.089 176.094 -0.003 0.000 1.069 231 V CA 2.445 64.742 62.300 -0.004 0.000 1.054 231 V CB -1.655 30.167 31.823 -0.002 0.000 0.664 231 V HN 0.550 8.740 8.190 -0.000 0.000 0.453 232 T N 0.971 115.522 114.554 -0.004 0.000 4.210 232 T HA 0.234 4.586 4.350 0.003 0.000 0.229 232 T C 1.029 175.726 174.700 -0.005 0.000 0.813 232 T CA 0.639 62.739 62.100 0.000 0.000 0.888 232 T CB -0.602 68.269 68.868 0.005 0.000 1.327 232 T HN 0.645 8.885 8.240 -0.000 0.000 0.739 233 G N 1.791 110.586 108.800 -0.009 0.000 3.397 233 G HA2 0.087 4.049 3.960 0.003 0.000 0.248 233 G HA3 0.087 4.049 3.960 0.003 0.000 0.248 233 G C 0.547 175.444 174.900 -0.006 0.000 1.284 233 G CA -0.399 44.692 45.100 -0.015 0.000 1.570 233 G HN 0.457 8.747 8.290 -0.000 0.000 0.587 238 E N 1.110 121.337 120.200 0.046 0.000 2.017 238 E HA -0.220 4.132 4.350 0.003 0.000 0.193 238 E C 1.938 178.569 176.600 0.052 0.000 0.997 238 E CA 1.909 58.334 56.400 0.043 0.000 0.804 238 E CB 0.108 29.829 29.700 0.036 0.000 0.757 238 E HN 0.252 8.612 8.360 -0.000 0.000 0.448 239 Q N -0.109 119.732 119.800 0.068 0.000 2.135 239 Q HA -0.138 4.204 4.340 0.003 0.000 0.204 239 Q C 2.166 178.283 176.000 0.195 0.000 0.981 239 Q CA 1.517 57.366 55.803 0.077 0.000 0.856 239 Q CB -0.551 28.260 28.738 0.122 0.000 0.902 239 Q HN 0.429 8.699 8.270 -0.000 0.000 0.425 240 A N 1.410 124.372 122.820 0.237 0.000 1.883 240 A HA -0.222 4.100 4.320 0.003 0.000 0.217 240 A C 2.083 179.818 177.584 0.251 0.000 1.186 240 A CA 1.705 53.914 52.037 0.287 0.000 0.624 240 A CB -0.412 18.663 19.000 0.125 0.000 0.822 240 A HN 0.271 8.421 8.150 -0.000 0.000 0.444 241 K N -0.517 119.970 120.400 0.145 0.000 2.152 241 K HA -0.149 4.173 4.320 0.003 0.000 0.206 241 K C 1.913 178.594 176.600 0.134 0.000 1.048 241 K CA 1.323 57.689 56.287 0.131 0.000 0.933 241 K CB -0.108 32.437 32.500 0.076 0.000 0.721 241 K HN 0.262 8.512 8.250 -0.000 0.000 0.447 242 K N 0.401 120.836 120.400 0.059 0.000 2.097 242 K HA -0.091 4.231 4.320 0.003 0.000 0.205 242 K C 1.997 178.555 176.600 -0.071 0.000 1.050 242 K CA 1.262 57.518 56.287 -0.051 0.000 0.938 242 K CB -0.477 31.921 32.500 -0.170 0.000 0.718 242 K HN 0.095 8.345 8.250 -0.000 0.000 0.442 243 F N 0.646 120.627 119.950 0.052 0.000 2.095 243 F HA -0.214 4.315 4.527 0.003 0.000 0.298 243 F C 2.633 178.481 175.800 0.080 0.000 1.104 243 F CA 1.833 59.866 58.000 0.056 0.000 1.232 243 F CB -0.818 38.218 39.000 0.060 0.000 0.987 243 F HN 0.269 8.569 8.300 -0.000 0.000 0.475 244 H N -0.186 119.003 119.070 0.198 0.000 2.357 244 H HA -0.147 4.411 4.556 0.003 0.000 0.301 244 H C 2.204 177.576 175.328 0.074 0.000 1.082 244 H CA 2.006 58.126 56.048 0.120 0.000 1.342 244 H CB -0.209 29.609 29.762 0.092 0.000 1.389 244 H HN 0.394 8.674 8.280 -0.000 0.000 0.511 245 E N -0.348 119.866 120.200 0.023 0.000 2.110 245 E HA -0.155 4.197 4.350 0.003 0.000 0.193 245 E C 2.144 178.702 176.600 -0.069 0.000 0.988 245 E CA 0.919 57.290 56.400 -0.049 0.000 0.804 245 E CB -0.185 29.517 29.700 0.003 0.000 0.745 245 E HN 0.573 8.933 8.360 -0.000 0.000 0.458 246 A N 0.485 123.281 122.820 -0.040 0.000 1.855 246 A HA -0.064 4.258 4.320 0.003 0.000 0.213 246 A C 2.169 179.738 177.584 -0.024 0.000 1.195 246 A CA 1.685 53.703 52.037 -0.032 0.000 0.610 246 A CB -0.203 18.777 19.000 -0.032 0.000 0.837 246 A HN 0.346 8.496 8.150 -0.000 0.000 0.444 247 V N -4.837 115.077 119.914 0.000 0.000 3.502 247 V HA 0.569 4.690 4.120 0.003 0.000 0.288 247 V C 0.943 177.023 176.094 -0.024 0.000 1.461 247 V CA 0.279 62.584 62.300 0.009 0.000 1.029 247 V CB -0.712 31.149 31.823 0.064 0.000 0.843 247 V HN 1.718 9.908 8.190 -0.000 0.000 0.438 248 G N 2.118 110.849 108.800 -0.115 0.000 2.694 248 G HA2 -0.173 3.788 3.960 0.003 0.000 0.247 248 G HA3 -0.173 3.788 3.960 0.003 0.000 0.247 248 G C -0.443 174.506 174.900 0.082 0.000 0.989 248 G CA 0.054 45.042 45.100 -0.187 0.000 1.252 248 G HN 0.600 8.890 8.290 -0.000 0.000 0.483 249 L N 0.981 122.406 121.223 0.337 0.000 2.485 249 L HA 0.337 4.679 4.340 0.003 0.000 0.275 249 L C 1.863 178.908 176.870 0.291 0.000 1.207 249 L CA 0.789 55.836 54.840 0.345 0.000 0.855 249 L CB 0.551 42.823 42.059 0.355 0.000 1.114 249 L HN 0.753 8.983 8.230 -0.000 0.000 0.485 250 T N -2.334 112.394 114.554 0.290 0.000 3.003 250 T HA 0.429 4.781 4.350 0.003 0.000 0.261 250 T C 0.430 175.292 174.700 0.270 0.000 1.003 250 T CA 0.168 62.435 62.100 0.278 0.000 0.917 250 T CB 0.742 69.789 68.868 0.298 0.000 1.084 250 T HN 0.814 9.054 8.240 -0.000 0.000 0.522 251 G N 0.173 109.116 108.800 0.239 0.000 2.466 251 G HA2 0.522 4.484 3.960 0.003 0.000 0.291 251 G HA3 0.522 4.484 3.960 0.003 0.000 0.291 251 G C -2.179 172.639 174.900 -0.138 0.000 1.460 251 G CA -0.524 44.527 45.100 -0.082 0.000 0.791 251 G HN 0.280 8.570 8.290 -0.000 0.000 0.505 252 V N 0.407 120.159 119.914 -0.271 0.000 2.876 252 V HA 0.640 4.762 4.120 0.003 0.000 0.312 252 V C -0.404 175.512 176.094 -0.297 0.000 1.085 252 V CA -0.720 61.447 62.300 -0.222 0.000 0.945 252 V CB 2.014 33.724 31.823 -0.189 0.000 1.017 252 V HN 0.684 8.874 8.190 -0.000 0.000 0.428 253 I N 3.202 123.646 120.570 -0.209 0.000 2.418 253 I HA 0.462 4.634 4.170 0.003 0.000 0.287 253 I C -0.858 175.157 176.117 -0.169 0.000 1.008 253 I CA -0.799 60.392 61.300 -0.180 0.000 1.104 253 I CB 2.080 40.015 38.000 -0.107 0.000 1.264 253 I HN 0.273 8.483 8.210 -0.000 0.000 0.438 254 V N 5.148 124.943 119.914 -0.198 0.000 2.370 254 V HA 0.323 4.445 4.120 0.003 0.000 0.279 254 V C 0.571 176.587 176.094 -0.130 0.000 1.029 254 V CA -0.506 61.690 62.300 -0.174 0.000 0.870 254 V CB 1.401 33.088 31.823 -0.226 0.000 0.984 254 V HN 0.862 9.052 8.190 -0.000 0.000 0.451 255 T N 1.284 115.778 114.554 -0.101 0.000 2.881 255 T HA 0.542 4.894 4.350 0.003 0.000 0.278 255 T C 0.120 174.785 174.700 -0.058 0.000 0.982 255 T CA -0.765 61.287 62.100 -0.079 0.000 0.989 255 T CB 0.734 69.557 68.868 -0.075 0.000 1.058 255 T HN 0.650 8.890 8.240 -0.000 0.000 0.529 256 K N -0.186 120.189 120.400 -0.041 0.000 3.162 256 K HA -0.124 4.198 4.320 0.003 0.000 0.268 256 K C 0.375 176.965 176.600 -0.016 0.000 1.062 256 K CA 0.255 56.528 56.287 -0.023 0.000 0.769 256 K CB -2.088 30.400 32.500 -0.020 0.000 1.274 256 K HN 0.542 8.792 8.250 -0.000 0.000 0.478 257 L N 0.573 121.788 121.223 -0.015 0.000 2.592 257 L HA -0.030 4.312 4.340 0.003 0.000 0.227 257 L C 1.811 178.693 176.870 0.020 0.000 1.127 257 L CA 0.475 55.317 54.840 0.003 0.000 0.884 257 L CB 0.024 42.084 42.059 0.002 0.000 1.065 257 L HN 0.345 8.575 8.230 -0.000 0.000 0.457 258 D N -0.806 119.602 120.400 0.013 0.000 2.355 258 D HA -0.020 4.622 4.640 0.003 0.000 0.218 258 D C 1.210 177.519 176.300 0.016 0.000 1.004 258 D CA 0.403 54.414 54.000 0.018 0.000 0.880 258 D CB 0.015 40.824 40.800 0.015 0.000 0.911 258 D HN 0.190 8.560 8.370 -0.000 0.000 0.528 259 G N 1.022 109.829 108.800 0.012 0.000 2.485 259 G HA2 0.166 4.128 3.960 0.003 0.000 0.260 259 G HA3 0.166 4.128 3.960 0.003 0.000 0.260 259 G C 1.184 176.093 174.900 0.014 0.000 1.459 259 G CA 0.764 45.870 45.100 0.011 0.000 1.060 259 G HN 0.211 8.501 8.290 -0.000 0.000 0.546 260 T N -2.631 111.930 114.554 0.012 0.000 3.067 260 T HA 0.372 4.724 4.350 0.003 0.000 0.257 260 T C 1.294 176.003 174.700 0.015 0.000 1.105 260 T CA 0.816 62.924 62.100 0.013 0.000 1.104 260 T CB -0.203 68.671 68.868 0.010 0.000 0.925 260 T HN 0.843 9.083 8.240 -0.000 0.000 0.498 261 A N 3.023 125.851 122.820 0.014 0.000 2.522 261 A HA 0.372 4.694 4.320 0.003 0.000 0.256 261 A C 0.521 178.122 177.584 0.029 0.000 1.086 261 A CA -0.461 51.587 52.037 0.017 0.000 0.763 261 A CB 0.106 19.112 19.000 0.009 0.000 1.024 261 A HN 0.352 8.502 8.150 -0.000 0.000 0.502 262 K N 2.273 122.694 120.400 0.035 0.000 2.276 262 K HA 0.116 4.438 4.320 0.003 0.000 0.259 262 K C 1.499 178.147 176.600 0.081 0.000 1.001 262 K CA 0.526 56.843 56.287 0.050 0.000 0.927 262 K CB 0.403 32.928 32.500 0.041 0.000 0.969 262 K HN 0.729 8.979 8.250 -0.000 0.000 0.490 263 G N 0.985 109.863 108.800 0.130 0.000 2.559 263 G HA2 -0.151 3.810 3.960 0.003 0.000 0.216 263 G HA3 -0.151 3.810 3.960 0.003 0.000 0.216 263 G C 1.355 176.467 174.900 0.354 0.000 1.126 263 G CA 0.713 45.959 45.100 0.243 0.000 0.778 263 G HN 0.677 8.967 8.290 -0.000 0.000 0.543 264 G N 0.954 109.908 108.800 0.257 0.000 2.498 264 G HA2 -0.122 3.840 3.960 0.003 0.000 0.219 264 G HA3 -0.122 3.840 3.960 0.003 0.000 0.219 264 G C 1.850 176.852 174.900 0.171 0.000 1.119 264 G CA 1.350 46.610 45.100 0.266 0.000 0.766 264 G HN 0.693 8.983 8.290 -0.000 0.000 0.552 265 V N -0.686 119.283 119.914 0.092 0.000 2.688 265 V HA -0.137 3.985 4.120 0.003 0.000 0.256 265 V C 2.550 178.625 176.094 -0.033 0.000 1.084 265 V CA 1.426 63.739 62.300 0.022 0.000 1.103 265 V CB -0.604 31.216 31.823 -0.003 0.000 0.688 265 V HN 0.369 8.559 8.190 -0.000 0.000 0.480 266 L N -0.572 120.604 121.223 -0.079 0.000 2.191 266 L HA -0.094 4.247 4.340 0.003 0.000 0.212 266 L C 2.656 179.433 176.870 -0.155 0.000 1.103 266 L CA 1.490 56.180 54.840 -0.250 0.000 0.769 266 L CB -0.614 41.083 42.059 -0.603 0.000 0.908 266 L HN 0.301 8.531 8.230 -0.000 0.000 0.438 267 I N 0.630 121.192 120.570 -0.013 0.000 2.090 267 I HA -0.167 4.005 4.170 0.003 0.000 0.236 267 I C -0.051 176.064 176.117 -0.004 0.000 1.064 267 I CA 1.467 62.785 61.300 0.031 0.000 1.324 267 I CB -1.987 36.083 38.000 0.116 0.000 1.044 267 I HN 0.211 8.421 8.210 -0.000 0.000 0.399 268 P HA -0.143 4.277 4.420 -0.000 0.000 0.219 268 P C 1.955 179.235 177.300 -0.034 0.000 1.146 268 P CA 1.591 64.685 63.100 -0.009 0.000 0.808 268 P CB -0.108 31.591 31.700 -0.001 0.000 0.779 269 I N -0.475 120.058 120.570 -0.060 0.000 2.118 269 I HA -0.224 3.948 4.170 0.003 0.000 0.241 269 I C 2.442 178.504 176.117 -0.091 0.000 1.070 269 I CA 1.536 62.785 61.300 -0.086 0.000 1.327 269 I CB -0.812 37.110 38.000 -0.130 0.000 1.034 269 I HN -0.167 8.043 8.210 -0.000 0.000 0.405 270 V N 0.403 120.256 119.914 -0.101 0.000 2.548 270 V HA -0.182 3.940 4.120 0.003 0.000 0.249 270 V C 2.495 178.555 176.094 -0.057 0.000 1.055 270 V CA 1.462 63.708 62.300 -0.090 0.000 1.065 270 V CB -0.727 31.043 31.823 -0.089 0.000 0.681 270 V HN 0.334 8.524 8.190 -0.000 0.000 0.462 271 R N -0.092 120.386 120.500 -0.037 0.000 2.081 271 R HA -0.142 4.200 4.340 0.003 0.000 0.235 271 R C 2.384 178.667 176.300 -0.030 0.000 1.131 271 R CA 2.042 58.129 56.100 -0.022 0.000 0.960 271 R CB -0.517 29.779 30.300 -0.006 0.000 0.856 271 R HN 0.502 8.772 8.270 -0.000 0.000 0.436 272 T N 0.694 115.227 114.554 -0.036 0.000 2.896 272 T HA 0.035 4.387 4.350 0.003 0.000 0.263 272 T C 1.752 176.416 174.700 -0.059 0.000 1.050 272 T CA 0.781 62.860 62.100 -0.035 0.000 1.140 272 T CB 0.099 68.952 68.868 -0.026 0.000 0.877 272 T HN 0.113 8.353 8.240 -0.000 0.000 0.457 273 L N -0.084 121.090 121.223 -0.083 0.000 2.354 273 L HA 0.239 4.581 4.340 0.003 0.000 0.212 273 L C 0.655 177.414 176.870 -0.184 0.000 1.091 273 L CA 0.256 55.015 54.840 -0.135 0.000 0.828 273 L CB -0.140 41.850 42.059 -0.115 0.000 0.973 273 L HN 0.154 8.384 8.230 -0.000 0.000 0.461 274 K N 0.041 120.370 120.400 -0.118 0.000 3.117 274 K HA -0.150 4.172 4.320 0.003 0.000 0.269 274 K C -0.623 175.923 176.600 -0.089 0.000 1.098 274 K CA 0.659 56.890 56.287 -0.093 0.000 0.785 274 K CB -1.967 30.485 32.500 -0.081 0.000 1.242 274 K HN 0.326 8.576 8.250 -0.000 0.000 0.491 275 V N -3.877 115.983 119.914 -0.091 0.000 2.876 275 V HA 0.776 4.898 4.120 0.003 0.000 0.312 275 V C -2.576 173.473 176.094 -0.076 0.000 1.085 275 V CA -2.681 59.586 62.300 -0.055 0.000 0.945 275 V CB 2.119 33.924 31.823 -0.030 0.000 1.017 275 V HN -0.150 8.040 8.190 -0.000 0.000 0.428 276 P HA 0.344 4.764 4.420 -0.000 0.000 0.272 276 P C -0.493 176.698 177.300 -0.182 0.000 1.230 276 P CA -0.312 62.737 63.100 -0.085 0.000 0.788 276 P CB 0.377 32.053 31.700 -0.040 0.000 0.949 277 I N 2.518 122.940 120.570 -0.247 0.000 2.452 277 I HA 0.049 4.221 4.170 0.003 0.000 0.287 277 I C 1.535 177.466 176.117 -0.311 0.000 1.079 277 I CA 0.220 61.269 61.300 -0.419 0.000 1.387 277 I CB 0.083 37.517 38.000 -0.943 0.000 1.404 277 I HN 0.360 8.570 8.210 -0.000 0.000 0.522 278 K N 4.999 125.146 120.400 -0.421 0.000 2.141 278 K HA 0.219 4.541 4.320 0.003 0.000 0.202 278 K C 0.080 176.296 176.600 -0.640 0.000 1.045 278 K CA 1.062 57.030 56.287 -0.532 0.000 0.971 278 K CB 0.216 32.168 32.500 -0.914 0.000 0.795 278 K HN 0.377 8.627 8.250 -0.000 0.000 0.459 279 F N -0.288 119.456 119.950 -0.343 0.000 2.626 279 F HA 0.291 4.820 4.527 0.003 0.000 0.311 279 F C -0.561 175.090 175.800 -0.248 0.000 1.088 279 F CA -1.451 56.395 58.000 -0.258 0.000 0.949 279 F CB 1.823 40.647 39.000 -0.294 0.000 1.322 279 F HN -0.320 7.980 8.300 -0.000 0.000 0.461 280 V N -0.110 119.817 119.914 0.021 0.000 2.540 280 V HA 0.918 5.040 4.120 0.003 0.000 0.302 280 V C -0.184 175.900 176.094 -0.017 0.000 1.035 280 V CA -0.839 61.432 62.300 -0.047 0.000 0.873 280 V CB 1.103 32.905 31.823 -0.035 0.000 0.992 280 V HN 0.940 9.130 8.190 -0.000 0.000 0.428 281 G N 2.080 110.849 108.800 -0.051 0.000 2.339 281 G HA2 0.517 4.479 3.960 0.003 0.000 0.287 281 G HA3 0.517 4.479 3.960 0.003 0.000 0.287 281 G C 0.297 175.181 174.900 -0.028 0.000 1.163 281 G CA 0.141 45.210 45.100 -0.052 0.000 0.872 281 G HN 1.887 10.177 8.290 -0.000 0.000 0.464 282 V N 0.362 120.267 119.914 -0.014 0.000 3.166 282 V HA 0.763 4.885 4.120 0.003 0.000 0.332 282 V C 0.616 176.713 176.094 0.005 0.000 1.434 282 V CA 0.275 62.577 62.300 0.003 0.000 1.121 282 V CB -0.157 31.678 31.823 0.020 0.000 1.062 282 V HN 1.283 9.473 8.190 -0.000 0.000 0.489 283 G N -0.009 108.789 108.800 -0.003 0.000 2.322 283 G HA2 0.359 4.321 3.960 0.003 0.000 0.295 283 G HA3 0.359 4.321 3.960 0.003 0.000 0.295 283 G C -0.510 174.394 174.900 0.006 0.000 1.369 283 G CA 0.019 45.123 45.100 0.007 0.000 0.821 283 G HN 0.067 8.357 8.290 -0.000 0.000 0.536 284 E N -0.675 119.541 120.200 0.026 0.000 2.371 284 E HA 0.186 4.537 4.350 0.003 0.000 0.194 284 E C 1.558 178.205 176.600 0.078 0.000 1.012 284 E CA 0.492 56.920 56.400 0.047 0.000 0.860 284 E CB 0.330 30.069 29.700 0.064 0.000 0.811 284 E HN 0.603 8.963 8.360 -0.000 0.000 0.502 285 G N 1.667 110.509 108.800 0.070 0.000 2.507 285 G HA2 0.110 4.071 3.960 0.003 0.000 0.271 285 G HA3 0.110 4.071 3.960 0.003 0.000 0.271 285 G C -1.710 173.221 174.900 0.052 0.000 1.189 285 G CA -1.091 44.070 45.100 0.103 0.000 0.859 285 G HN -0.101 8.189 8.290 -0.000 0.000 0.542 286 P HA -0.034 4.386 4.420 -0.000 0.000 0.225 286 P C 0.391 177.673 177.300 -0.029 0.000 1.148 286 P CA 0.897 63.979 63.100 -0.030 0.000 0.779 286 P CB 0.462 32.215 31.700 0.089 0.000 0.780 287 D N -0.398 120.013 120.400 0.017 0.000 2.349 287 D HA 0.003 4.645 4.640 0.003 0.000 0.214 287 D C 0.209 176.520 176.300 0.018 0.000 1.063 287 D CA 0.368 54.385 54.000 0.027 0.000 0.847 287 D CB -0.164 40.664 40.800 0.046 0.000 0.933 287 D HN 0.119 8.489 8.370 -0.000 0.000 0.513 288 D N 1.093 121.489 120.400 -0.006 0.000 3.038 288 D HA 0.099 4.741 4.640 0.003 0.000 0.243 288 D C -0.162 176.120 176.300 -0.029 0.000 1.245 288 D CA -0.013 53.984 54.000 -0.006 0.000 0.871 288 D CB 0.211 41.009 40.800 -0.004 0.000 1.089 288 D HN 0.104 8.474 8.370 -0.000 0.000 0.464 289 L N 1.003 122.208 121.223 -0.030 0.000 2.409 289 L HA 0.346 4.688 4.340 0.003 0.000 0.272 289 L C -1.139 175.739 176.870 0.014 0.000 0.980 289 L CA -0.550 54.260 54.840 -0.050 0.000 0.826 289 L CB 2.410 44.357 42.059 -0.187 0.000 1.268 289 L HN -0.258 7.972 8.230 -0.000 0.000 0.407 290 Q N 6.242 126.082 119.800 0.066 0.000 2.340 290 Q HA 0.592 4.934 4.340 0.003 0.000 0.268 290 Q C -2.593 173.410 176.000 0.005 0.000 1.031 290 Q CA -2.149 53.682 55.803 0.047 0.000 0.804 290 Q CB 2.477 31.241 28.738 0.043 0.000 1.286 290 Q HN 0.309 8.579 8.270 -0.000 0.000 0.448 291 P HA -0.042 4.378 4.420 -0.000 0.000 0.265 291 P C -0.829 176.303 177.300 -0.280 0.000 1.193 291 P CA 0.015 62.729 63.100 -0.644 0.000 0.765 291 P CB 0.267 31.661 31.700 -0.510 0.000 0.823 292 F N 3.377 123.040 119.950 -0.478 0.000 2.456 292 F HA 0.213 4.742 4.527 0.003 0.000 0.358 292 F C 0.473 176.147 175.800 -0.209 0.000 1.095 292 F CA -0.038 57.786 58.000 -0.293 0.000 1.216 292 F CB 0.334 39.147 39.000 -0.313 0.000 1.125 292 F HN 0.179 8.479 8.300 -0.000 0.000 0.549 293 D N 8.316 128.204 120.400 -0.854 0.000 2.438 293 D HA 0.323 4.965 4.640 0.003 0.000 0.257 293 D C -2.131 173.643 176.300 -0.877 0.000 1.148 293 D CA -2.271 51.352 54.000 -0.630 0.000 0.902 293 D CB 1.640 42.248 40.800 -0.319 0.000 1.062 293 D HN 0.196 8.566 8.370 -0.000 0.000 0.518 294 P HA -0.094 4.326 4.420 -0.000 0.000 0.219 294 P C 0.948 178.163 177.300 -0.142 0.000 1.146 294 P CA 0.983 63.790 63.100 -0.488 0.000 0.808 294 P CB 0.638 32.243 31.700 -0.158 0.000 0.779 295 E N -0.685 119.423 120.200 -0.154 0.000 2.051 295 E HA -0.054 4.298 4.350 0.003 0.000 0.189 295 E C 2.158 178.715 176.600 -0.072 0.000 0.979 295 E CA 0.982 57.334 56.400 -0.080 0.000 0.803 295 E CB -0.550 29.105 29.700 -0.075 0.000 0.761 295 E HN 0.078 8.438 8.360 -0.000 0.000 0.451 296 A N 0.683 123.444 122.820 -0.098 0.000 1.933 296 A HA -0.197 4.125 4.320 0.003 0.000 0.218 296 A C 1.983 179.553 177.584 -0.023 0.000 1.175 296 A CA 1.149 53.147 52.037 -0.065 0.000 0.628 296 A CB -0.745 18.213 19.000 -0.070 0.000 0.814 296 A HN 0.389 8.539 8.150 -0.000 0.000 0.444 297 F N 0.837 120.682 119.950 -0.176 0.000 2.069 297 F HA -0.180 4.349 4.527 0.003 0.000 0.298 297 F C 2.235 178.028 175.800 -0.011 0.000 1.113 297 F CA 2.147 60.108 58.000 -0.066 0.000 1.214 297 F CB -0.590 38.385 39.000 -0.043 0.000 0.978 297 F HN 0.024 8.324 8.300 -0.000 0.000 0.474 298 V N 0.655 120.514 119.914 -0.093 0.000 2.287 298 V HA -0.339 3.783 4.120 0.003 0.000 0.248 298 V C 2.403 178.396 176.094 -0.168 0.000 1.053 298 V CA 2.311 64.509 62.300 -0.169 0.000 1.027 298 V CB -0.863 30.959 31.823 -0.001 0.000 0.646 298 V HN 0.441 8.631 8.190 -0.000 0.000 0.447 299 E N 0.717 120.852 120.200 -0.108 0.000 2.097 299 E HA -0.236 4.116 4.350 0.003 0.000 0.196 299 E C 2.026 178.572 176.600 -0.091 0.000 1.000 299 E CA 1.897 58.247 56.400 -0.083 0.000 0.804 299 E CB -0.443 29.218 29.700 -0.065 0.000 0.740 299 E HN 0.556 8.916 8.360 -0.000 0.000 0.454 300 A N -0.067 122.675 122.820 -0.130 0.000 2.014 300 A HA -0.029 4.292 4.320 0.003 0.000 0.218 300 A C 2.091 179.576 177.584 -0.165 0.000 1.163 300 A CA 1.017 52.984 52.037 -0.118 0.000 0.652 300 A CB -0.547 18.400 19.000 -0.089 0.000 0.808 300 A HN 0.368 8.518 8.150 -0.000 0.000 0.449 301 L N -0.388 120.653 121.223 -0.303 0.000 2.046 301 L HA -0.051 4.291 4.340 0.003 0.000 0.208 301 L C 1.834 178.633 176.870 -0.119 0.000 1.077 301 L CA 1.764 56.423 54.840 -0.300 0.000 0.747 301 L CB -0.303 41.473 42.059 -0.472 0.000 0.896 301 L HN 0.410 8.640 8.230 -0.000 0.000 0.432 302 L N -1.400 119.790 121.223 -0.056 0.000 2.607 302 L HA 0.174 4.516 4.340 0.003 0.000 0.228 302 L C 0.656 177.575 176.870 0.082 0.000 1.123 302 L CA -0.365 54.511 54.840 0.060 0.000 0.890 302 L CB -0.251 41.915 42.059 0.177 0.000 1.103 302 L HN 0.118 8.348 8.230 -0.000 0.000 0.468 303 E N 0.999 121.214 120.200 0.025 0.000 2.413 303 E HA -0.017 4.335 4.350 0.003 0.000 0.263 303 E C -0.189 176.427 176.600 0.026 0.000 1.015 303 E CA -0.258 56.160 56.400 0.031 0.000 0.916 303 E CB 0.648 30.348 29.700 0.000 0.000 0.947 303 E HN 0.071 8.431 8.360 -0.000 0.000 0.440 304 D N 0.000 120.420 120.400 0.034 0.000 6.856 304 D HA 0.000 4.642 4.640 0.003 0.000 0.175 304 D CA 0.000 54.008 54.000 0.013 0.000 0.868 304 D CB 0.000 40.811 40.800 0.018 0.000 0.688 304 D HN 0.000 8.370 8.370 -0.000 0.000 0.683