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 1u6e_1_A DATA FIRST_RESID -10 DATA SEQUENCE MTEIATTSGA XRSVGLLSVG AYRPERVVTN DEICQHIDSS DEWIYTRTGI DATA SEQUENCE KTRRFAADDE SAASMATEAC RRALSNAGLS AADIDGVIVT TNTHFLQTPP DATA SEQUENCE AAPMVAASLG AKGILGFDLS AGAAGFGYAL GAAADMIRGG GAATMLVVGT DATA SEQUENCE EKLSPTIDMY DRGNCFIFAD GAAAVVVGET PFQGIGPTVA GSDGEQADAI DATA SEQUENCE RQDIDWITFA QNRPFVRLEG PAVFRWAAFK MGDVGRRAMD AAGVRPDQID DATA SEQUENCE VFVPHQANSR INELLVKNLQ LRPAVVANDI EHTGNTSAAS IPLAMAELLT DATA SEQUENCE TGAAKPGDLA LLIGYGAGLS YAAQVVRK 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 -10 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 -10 M C 0.000 176.300 176.300 -0.001 0.000 1.140 -10 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 -10 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 -9 T N -0.364 114.189 114.554 -0.001 0.000 2.843 -9 T HA 0.605 4.946 4.350 -0.016 0.000 0.302 -9 T C -2.182 172.517 174.700 -0.001 0.000 1.232 -9 T CA -0.307 61.792 62.100 -0.001 0.000 1.009 -9 T CB 2.236 71.104 68.868 -0.001 0.000 1.254 -9 T HN 0.832 9.072 8.240 -0.000 0.000 0.504 -8 E N 2.290 122.490 120.200 -0.000 0.000 2.176 -8 E HA 0.552 4.892 4.350 -0.016 0.000 0.267 -8 E C -0.574 176.026 176.600 -0.000 0.000 0.893 -8 E CA -0.628 55.772 56.400 -0.000 0.000 0.761 -8 E CB 0.799 30.499 29.700 -0.000 0.000 1.133 -8 E HN 0.621 8.981 8.360 -0.000 0.000 0.409 -7 I N 3.644 124.214 120.570 -0.001 0.000 2.741 -7 I HA 0.024 4.184 4.170 -0.016 0.000 0.288 -7 I C 0.709 176.826 176.117 -0.000 0.000 1.192 -7 I CA 0.193 61.493 61.300 -0.001 0.000 1.426 -7 I CB 0.518 38.517 38.000 -0.001 0.000 1.367 -7 I HN 0.674 8.884 8.210 -0.000 0.000 0.563 -6 A N 5.592 128.412 122.820 0.000 0.000 2.483 -6 A HA 0.287 4.597 4.320 -0.016 0.000 0.238 -6 A C 0.233 177.818 177.584 0.001 0.000 1.070 -6 A CA 0.110 52.147 52.037 0.001 0.000 0.770 -6 A CB 0.021 19.021 19.000 0.000 0.000 1.008 -6 A HN 0.706 8.856 8.150 -0.000 0.000 0.497 -5 T N 1.795 116.350 114.554 0.001 0.000 2.779 -5 T HA 0.622 4.962 4.350 -0.016 0.000 0.280 -5 T C 0.257 174.958 174.700 0.002 0.000 0.987 -5 T CA 0.133 62.234 62.100 0.002 0.000 0.966 -5 T CB 1.128 69.998 68.868 0.002 0.000 0.933 -5 T HN 1.013 9.253 8.240 -0.000 0.000 0.442 -4 T N -0.403 114.152 114.554 0.003 0.000 2.907 -4 T HA 0.902 5.242 4.350 -0.016 0.000 0.290 -4 T C -0.495 174.207 174.700 0.003 0.000 1.066 -4 T CA -0.844 61.257 62.100 0.003 0.000 1.012 -4 T CB 1.902 70.772 68.868 0.002 0.000 1.184 -4 T HN 0.690 8.930 8.240 -0.000 0.000 0.522 -3 S N -0.914 114.787 115.700 0.003 0.000 2.588 -3 S HA 0.843 5.303 4.470 -0.016 0.000 0.269 -3 S C -0.023 174.578 174.600 0.001 0.000 1.157 -3 S CA -0.485 57.717 58.200 0.003 0.000 0.824 -3 S CB 1.206 64.408 63.200 0.004 0.000 1.126 -3 S HN 1.385 9.695 8.310 -0.000 0.000 0.464 -2 G N 0.237 109.038 108.800 0.001 0.000 3.008 -2 G HA2 0.797 4.748 3.960 -0.016 0.000 0.181 -2 G HA3 0.797 4.748 3.960 -0.016 0.000 0.181 -2 G C 0.191 175.089 174.900 -0.003 0.000 1.309 -2 G CA -0.491 44.608 45.100 -0.001 0.000 1.009 -2 G HN 1.291 9.581 8.290 -0.000 0.000 0.584 2 S N 1.456 117.157 115.700 0.001 0.000 2.411 2 S HA 0.548 5.008 4.470 -0.016 0.000 0.294 2 S C -0.416 174.187 174.600 0.005 0.000 1.115 2 S CA -0.313 57.892 58.200 0.008 0.000 1.071 2 S CB 0.942 64.137 63.200 -0.008 0.000 0.967 2 S HN 0.107 8.417 8.310 -0.000 0.000 0.488 3 V N 4.123 124.047 119.914 0.017 0.000 2.735 3 V HA 0.935 5.046 4.120 -0.016 0.000 0.310 3 V C 0.711 176.820 176.094 0.026 0.000 1.061 3 V CA -0.445 61.864 62.300 0.014 0.000 0.913 3 V CB 1.839 33.668 31.823 0.009 0.000 1.005 3 V HN 0.967 9.157 8.190 -0.000 0.000 0.428 4 G N 1.977 110.792 108.800 0.025 0.000 2.682 4 G HA2 0.672 4.622 3.960 -0.016 0.000 0.290 4 G HA3 0.672 4.622 3.960 -0.016 0.000 0.290 4 G C -1.638 173.283 174.900 0.035 0.000 1.425 4 G CA -0.956 44.167 45.100 0.037 0.000 0.807 4 G HN 0.619 8.909 8.290 -0.000 0.000 0.482 5 L N 1.116 122.368 121.223 0.048 0.000 2.281 5 L HA 0.328 4.659 4.340 -0.016 0.000 0.285 5 L C 1.068 177.966 176.870 0.047 0.000 1.074 5 L CA -0.498 54.374 54.840 0.054 0.000 0.817 5 L CB 1.192 43.296 42.059 0.076 0.000 1.168 5 L HN 0.396 8.626 8.230 -0.000 0.000 0.434 6 L N 2.006 123.252 121.223 0.039 0.000 2.416 6 L HA 0.142 4.472 4.340 -0.016 0.000 0.216 6 L C 0.715 177.606 176.870 0.035 0.000 1.098 6 L CA 0.334 55.194 54.840 0.032 0.000 0.840 6 L CB 0.136 42.209 42.059 0.023 0.000 0.981 6 L HN 0.855 9.085 8.230 -0.000 0.000 0.462 7 S N -2.060 113.665 115.700 0.041 0.000 2.627 7 S HA 0.487 4.947 4.470 -0.016 0.000 0.268 7 S C -1.282 173.349 174.600 0.051 0.000 1.130 7 S CA -0.807 57.417 58.200 0.041 0.000 0.819 7 S CB 2.250 65.469 63.200 0.032 0.000 1.100 7 S HN -0.192 8.118 8.310 -0.000 0.000 0.465 8 V N 0.231 120.172 119.914 0.045 0.000 2.823 8 V HA 0.937 5.047 4.120 -0.016 0.000 0.312 8 V C 0.079 176.195 176.094 0.036 0.000 1.072 8 V CA 0.413 62.741 62.300 0.046 0.000 0.937 8 V CB 1.750 33.595 31.823 0.037 0.000 1.013 8 V HN 1.678 9.868 8.190 -0.000 0.000 0.430 9 G N 3.574 112.396 108.800 0.037 0.000 2.638 9 G HA2 0.846 4.796 3.960 -0.016 0.000 0.302 9 G HA3 0.846 4.796 3.960 -0.016 0.000 0.302 9 G C -1.158 173.768 174.900 0.044 0.000 1.365 9 G CA -0.144 44.980 45.100 0.039 0.000 0.987 9 G HN 1.370 9.660 8.290 -0.000 0.000 0.495 10 A N 0.932 123.783 122.820 0.052 0.000 2.386 10 A HA 0.760 5.070 4.320 -0.016 0.000 0.311 10 A C -1.921 175.732 177.584 0.116 0.000 1.068 10 A CA -0.705 51.366 52.037 0.057 0.000 0.743 10 A CB 1.774 20.783 19.000 0.014 0.000 1.258 10 A HN 1.132 9.282 8.150 -0.000 0.000 0.429 11 Y N 1.738 122.034 120.300 -0.007 0.000 2.326 11 Y HA 0.641 5.181 4.550 -0.016 0.000 0.329 11 Y C -0.293 175.606 175.900 -0.002 0.000 0.973 11 Y CA -0.627 57.471 58.100 -0.003 0.000 1.162 11 Y CB 1.404 39.866 38.460 0.004 0.000 1.147 11 Y HN 0.682 8.962 8.280 -0.000 0.000 0.456 12 R N 7.280 127.377 120.500 -0.672 0.000 2.360 12 R HA 0.421 4.752 4.340 -0.016 0.000 0.318 12 R C -2.703 173.135 176.300 -0.769 0.000 0.950 12 R CA -1.962 53.819 56.100 -0.533 0.000 0.837 12 R CB 1.072 31.188 30.300 -0.307 0.000 1.165 12 R HN 0.468 8.738 8.270 -0.000 0.000 0.458 13 P HA -0.097 4.323 4.420 -0.000 0.000 0.268 13 P C 0.345 177.546 177.300 -0.165 0.000 1.208 13 P CA -0.005 62.912 63.100 -0.306 0.000 0.777 13 P CB 0.789 32.491 31.700 0.003 0.000 0.875 14 E N 2.243 122.405 120.200 -0.064 0.000 2.058 14 E HA -0.212 4.128 4.350 -0.016 0.000 0.194 14 E C 0.804 177.390 176.600 -0.022 0.000 0.997 14 E CA 0.654 57.033 56.400 -0.035 0.000 0.801 14 E CB 0.054 29.765 29.700 0.018 0.000 0.746 14 E HN 0.267 8.627 8.360 -0.000 0.000 0.450 15 R N 1.137 121.646 120.500 0.016 0.000 2.351 15 R HA 0.091 4.422 4.340 -0.016 0.000 0.318 15 R C -1.101 175.183 176.300 -0.027 0.000 1.055 15 R CA -0.308 55.801 56.100 0.016 0.000 0.968 15 R CB 0.603 30.945 30.300 0.069 0.000 0.974 15 R HN -0.055 8.215 8.270 -0.000 0.000 0.439 16 V N 5.926 125.807 119.914 -0.055 0.000 2.498 16 V HA 0.183 4.293 4.120 -0.016 0.000 0.279 16 V C -0.059 175.954 176.094 -0.136 0.000 1.048 16 V CA -0.456 61.791 62.300 -0.089 0.000 0.967 16 V CB 1.622 33.404 31.823 -0.069 0.000 0.988 16 V HN 0.496 8.686 8.190 -0.000 0.000 0.473 17 V N 4.686 124.467 119.914 -0.221 0.000 2.378 17 V HA 0.400 4.511 4.120 -0.016 0.000 0.288 17 V C 0.449 176.437 176.094 -0.177 0.000 1.016 17 V CA -0.518 61.610 62.300 -0.285 0.000 0.840 17 V CB 1.827 33.255 31.823 -0.659 0.000 0.994 17 V HN 1.038 9.228 8.190 -0.000 0.000 0.431 18 T N 1.033 115.520 114.554 -0.111 0.000 2.874 18 T HA 0.233 4.574 4.350 -0.016 0.000 0.281 18 T C 1.113 175.786 174.700 -0.044 0.000 0.994 18 T CA -0.585 61.476 62.100 -0.066 0.000 1.015 18 T CB 0.866 69.703 68.868 -0.053 0.000 1.028 18 T HN 0.415 8.655 8.240 -0.000 0.000 0.523 19 N N 0.866 119.556 118.700 -0.016 0.000 2.137 19 N HA -0.141 4.589 4.740 -0.016 0.000 0.190 19 N C 1.469 176.981 175.510 0.002 0.000 1.017 19 N CA 1.622 54.679 53.050 0.011 0.000 0.859 19 N CB -0.691 37.804 38.487 0.014 0.000 1.002 19 N HN 0.891 9.271 8.380 -0.000 0.000 0.428 20 D N 0.505 120.895 120.400 -0.017 0.000 2.144 20 D HA -0.150 4.481 4.640 -0.016 0.000 0.199 20 D C 1.816 178.099 176.300 -0.028 0.000 0.984 20 D CA 1.005 54.992 54.000 -0.022 0.000 0.834 20 D CB 0.075 40.858 40.800 -0.029 0.000 0.955 20 D HN 0.360 8.730 8.370 -0.000 0.000 0.465 21 E N -0.394 119.787 120.200 -0.032 0.000 2.072 21 E HA -0.155 4.186 4.350 -0.016 0.000 0.191 21 E C 2.082 178.676 176.600 -0.010 0.000 0.985 21 E CA 0.722 57.102 56.400 -0.033 0.000 0.801 21 E CB 0.039 29.710 29.700 -0.050 0.000 0.750 21 E HN 0.319 8.679 8.360 -0.000 0.000 0.452 22 I N 1.035 121.611 120.570 0.011 0.000 2.208 22 I HA -0.277 3.883 4.170 -0.016 0.000 0.245 22 I C 2.269 178.420 176.117 0.057 0.000 1.097 22 I CA 0.884 62.224 61.300 0.067 0.000 1.363 22 I CB -1.236 36.842 38.000 0.130 0.000 1.051 22 I HN 0.304 8.514 8.210 -0.000 0.000 0.413 23 C N 0.672 119.985 119.300 0.023 0.000 2.525 23 C HA -0.045 4.405 4.460 -0.016 0.000 0.279 23 C C 2.508 177.464 174.990 -0.057 0.000 1.437 23 C CA 0.105 59.120 59.018 -0.004 0.000 1.704 23 C CB -1.738 25.994 27.740 -0.013 0.000 1.672 23 C HN 0.515 8.745 8.230 -0.000 0.000 0.582 24 Q N -0.596 119.139 119.800 -0.109 0.000 2.297 24 Q HA -0.076 4.254 4.340 -0.016 0.000 0.204 24 Q C 1.432 177.172 176.000 -0.433 0.000 0.962 24 Q CA 0.983 56.621 55.803 -0.275 0.000 0.879 24 Q CB 0.057 28.580 28.738 -0.358 0.000 0.947 24 Q HN 0.783 9.053 8.270 -0.000 0.000 0.462 25 H N -1.387 117.642 119.070 -0.068 0.000 3.058 25 H HA 0.253 4.799 4.556 -0.016 0.000 0.266 25 H C 0.219 175.536 175.328 -0.019 0.000 1.135 25 H CA 0.090 56.067 56.048 -0.118 0.000 1.174 25 H CB 0.880 30.337 29.762 -0.508 0.000 1.581 25 H HN 0.188 8.468 8.280 -0.000 0.000 0.553 26 I N -2.524 118.091 120.570 0.075 0.000 2.934 26 I HA 0.354 4.514 4.170 -0.016 0.000 0.306 26 I C -0.369 175.751 176.117 0.004 0.000 1.110 26 I CA -1.088 60.254 61.300 0.069 0.000 1.019 26 I CB 2.778 40.835 38.000 0.095 0.000 1.227 26 I HN -0.308 7.902 8.210 -0.000 0.000 0.434 27 D N 3.398 123.780 120.400 -0.030 0.000 2.483 27 D HA 0.362 4.992 4.640 -0.016 0.000 0.220 27 D C -0.684 175.509 176.300 -0.177 0.000 1.173 27 D CA 0.629 54.579 54.000 -0.084 0.000 0.964 27 D CB 0.579 41.330 40.800 -0.081 0.000 1.046 27 D HN 0.648 9.018 8.370 -0.000 0.000 0.517 28 S N 1.034 116.642 115.700 -0.155 0.000 2.843 28 S HA 0.708 5.169 4.470 -0.016 0.000 0.301 28 S C -1.347 173.199 174.600 -0.090 0.000 1.206 28 S CA -0.426 57.639 58.200 -0.224 0.000 0.875 28 S CB 1.302 64.350 63.200 -0.252 0.000 1.248 28 S HN 0.407 8.717 8.310 -0.000 0.000 0.555 29 S N -0.077 115.616 115.700 -0.012 0.000 2.607 29 S HA 0.437 4.897 4.470 -0.016 0.000 0.273 29 S C 0.165 174.806 174.600 0.069 0.000 1.148 29 S CA -0.134 58.086 58.200 0.034 0.000 0.833 29 S CB 1.174 64.404 63.200 0.050 0.000 1.130 29 S HN 0.714 9.024 8.310 -0.000 0.000 0.470 30 D N 0.923 121.347 120.400 0.040 0.000 2.116 30 D HA -0.223 4.407 4.640 -0.016 0.000 0.193 30 D C 1.595 177.943 176.300 0.080 0.000 0.998 30 D CA 2.230 56.252 54.000 0.037 0.000 0.836 30 D CB -0.125 40.676 40.800 0.002 0.000 0.951 30 D HN 0.717 9.087 8.370 -0.000 0.000 0.449 31 E N -0.687 119.566 120.200 0.089 0.000 2.058 31 E HA -0.191 4.149 4.350 -0.016 0.000 0.194 31 E C 1.949 178.622 176.600 0.122 0.000 0.997 31 E CA 1.477 57.945 56.400 0.115 0.000 0.801 31 E CB -0.880 28.875 29.700 0.092 0.000 0.746 31 E HN 0.613 8.973 8.360 -0.000 0.000 0.450 32 W N 0.501 121.771 121.300 -0.049 0.000 2.379 32 W HA -0.059 4.591 4.660 -0.017 0.000 0.307 32 W C 1.998 178.424 176.519 -0.155 0.000 1.200 32 W CA 2.009 59.298 57.345 -0.094 0.000 1.297 32 W CB -0.287 29.105 29.460 -0.113 0.000 1.140 32 W HN 0.101 8.281 8.180 -0.000 0.000 0.507 33 I N -0.764 119.831 120.570 0.042 0.000 2.142 33 I HA -0.366 3.795 4.170 -0.016 0.000 0.240 33 I C 2.367 178.371 176.117 -0.187 0.000 1.078 33 I CA 1.908 63.064 61.300 -0.241 0.000 1.343 33 I CB -1.008 36.859 38.000 -0.221 0.000 1.046 33 I HN 0.061 8.271 8.210 -0.000 0.000 0.405 34 Y N 1.415 121.618 120.300 -0.162 0.000 2.165 34 Y HA -0.321 4.219 4.550 -0.016 0.000 0.286 34 Y C 2.724 178.527 175.900 -0.162 0.000 1.155 34 Y CA 2.163 60.188 58.100 -0.125 0.000 1.164 34 Y CB -0.234 38.179 38.460 -0.079 0.000 0.978 34 Y HN 0.063 8.343 8.280 -0.000 0.000 0.513 35 T N 0.152 114.516 114.554 -0.317 0.000 2.788 35 T HA -0.177 4.164 4.350 -0.016 0.000 0.268 35 T C 2.149 176.589 174.700 -0.433 0.000 1.044 35 T CA 1.889 63.747 62.100 -0.404 0.000 1.139 35 T CB -0.388 68.314 68.868 -0.275 0.000 0.867 35 T HN 0.503 8.743 8.240 -0.000 0.000 0.454 36 R N 1.000 121.178 120.500 -0.537 0.000 2.173 36 R HA 0.119 4.449 4.340 -0.016 0.000 0.208 36 R C 2.331 178.481 176.300 -0.250 0.000 1.035 36 R CA 1.701 57.498 56.100 -0.505 0.000 1.004 36 R CB -1.144 28.587 30.300 -0.948 0.000 0.917 36 R HN 0.633 8.903 8.270 -0.000 0.000 0.462 37 T N -6.235 108.187 114.554 -0.220 0.000 2.969 37 T HA 0.355 4.695 4.350 -0.016 0.000 0.258 37 T C 1.725 176.368 174.700 -0.094 0.000 0.962 37 T CA 1.125 63.181 62.100 -0.073 0.000 0.903 37 T CB 0.681 69.579 68.868 0.051 0.000 1.177 37 T HN 1.432 9.672 8.240 -0.000 0.000 0.511 38 G N 1.769 110.451 108.800 -0.197 0.000 2.159 38 G HA2 -0.196 3.755 3.960 -0.016 0.000 0.256 38 G HA3 -0.196 3.755 3.960 -0.016 0.000 0.256 38 G C -0.037 174.947 174.900 0.141 0.000 0.977 38 G CA 0.213 45.208 45.100 -0.176 0.000 0.652 38 G HN 0.690 8.980 8.290 -0.000 0.000 0.531 39 I N 0.177 120.843 120.570 0.160 0.000 2.365 39 I HA 0.387 4.547 4.170 -0.016 0.000 0.291 39 I C 1.198 177.436 176.117 0.202 0.000 1.004 39 I CA -0.772 60.631 61.300 0.172 0.000 1.311 39 I CB 1.473 39.555 38.000 0.138 0.000 1.401 39 I HN -0.159 8.051 8.210 -0.000 0.000 0.491 40 K N 2.882 123.345 120.400 0.105 0.000 2.306 40 K HA 0.215 4.525 4.320 -0.016 0.000 0.200 40 K C 0.530 177.131 176.600 0.003 0.000 1.083 40 K CA 0.825 57.108 56.287 -0.006 0.000 0.959 40 K CB 0.657 33.075 32.500 -0.136 0.000 0.994 40 K HN 0.818 9.068 8.250 -0.000 0.000 0.492 41 T N -0.042 114.529 114.554 0.028 0.000 2.841 41 T HA 0.664 5.004 4.350 -0.016 0.000 0.296 41 T C -0.789 173.931 174.700 0.034 0.000 1.166 41 T CA -1.013 61.092 62.100 0.009 0.000 1.007 41 T CB 2.835 71.699 68.868 -0.007 0.000 1.253 41 T HN 0.083 8.323 8.240 -0.000 0.000 0.511 42 R N 0.054 120.545 120.500 -0.016 0.000 2.764 42 R HA 0.572 4.903 4.340 -0.016 0.000 0.270 42 R C -1.602 174.675 176.300 -0.037 0.000 1.014 42 R CA -0.953 55.158 56.100 0.019 0.000 0.904 42 R CB 1.043 31.398 30.300 0.092 0.000 1.236 42 R HN 0.639 8.909 8.270 -0.000 0.000 0.466 43 R N 1.106 121.637 120.500 0.052 0.000 2.407 43 R HA 0.514 4.845 4.340 -0.016 0.000 0.303 43 R C -0.734 175.776 176.300 0.349 0.000 0.981 43 R CA -0.637 55.507 56.100 0.074 0.000 0.905 43 R CB 0.486 30.787 30.300 0.002 0.000 1.099 43 R HN 0.402 8.672 8.270 -0.000 0.000 0.459 44 F N 0.417 120.385 119.950 0.029 0.000 2.469 44 F HA 0.483 5.001 4.527 -0.015 0.000 0.332 44 F C 0.735 176.570 175.800 0.057 0.000 1.103 44 F CA -1.913 56.120 58.000 0.056 0.000 0.979 44 F CB 1.523 40.561 39.000 0.063 0.000 1.137 44 F HN 0.552 8.852 8.300 -0.000 0.000 0.463 45 A N 2.016 124.967 122.820 0.219 0.000 2.366 45 A HA 0.654 4.964 4.320 -0.016 0.000 0.249 45 A C 0.160 177.837 177.584 0.154 0.000 1.084 45 A CA 0.024 52.165 52.037 0.173 0.000 0.794 45 A CB 0.003 19.096 19.000 0.155 0.000 1.034 45 A HN 0.935 9.085 8.150 -0.000 0.000 0.491 46 A N 0.453 123.357 122.820 0.141 0.000 2.346 46 A HA 0.395 4.706 4.320 -0.016 0.000 0.252 46 A C 0.742 178.380 177.584 0.090 0.000 1.089 46 A CA 0.037 52.141 52.037 0.112 0.000 0.797 46 A CB 0.004 19.065 19.000 0.101 0.000 1.047 46 A HN 0.807 8.957 8.150 -0.000 0.000 0.494 47 D N 0.295 120.739 120.400 0.073 0.000 2.178 47 D HA -0.147 4.484 4.640 -0.016 0.000 0.201 47 D C 1.082 177.412 176.300 0.051 0.000 0.980 47 D CA 1.792 55.825 54.000 0.055 0.000 0.842 47 D CB -0.111 40.715 40.800 0.043 0.000 0.948 47 D HN 0.745 9.115 8.370 -0.000 0.000 0.472 48 D N 0.296 120.727 120.400 0.052 0.000 2.349 48 D HA -0.060 4.570 4.640 -0.016 0.000 0.224 48 D C 0.219 176.547 176.300 0.048 0.000 1.029 48 D CA 0.155 54.181 54.000 0.043 0.000 0.879 48 D CB -0.168 40.653 40.800 0.036 0.000 0.906 48 D HN 0.197 8.567 8.370 -0.000 0.000 0.528 49 E N -0.043 120.196 120.200 0.066 0.000 2.227 49 E HA 0.481 4.822 4.350 -0.016 0.000 0.268 49 E C -0.240 176.410 176.600 0.082 0.000 0.990 49 E CA -0.716 55.726 56.400 0.070 0.000 0.856 49 E CB 1.611 31.375 29.700 0.107 0.000 1.159 49 E HN 0.209 8.569 8.360 -0.000 0.000 0.401 50 S N -0.435 115.308 115.700 0.071 0.000 2.697 50 S HA 0.573 5.034 4.470 -0.016 0.000 0.289 50 S C 0.682 175.318 174.600 0.060 0.000 1.149 50 S CA -0.318 57.934 58.200 0.086 0.000 0.850 50 S CB 1.318 64.569 63.200 0.084 0.000 1.151 50 S HN 0.534 8.844 8.310 -0.000 0.000 0.491 51 A N 0.974 123.816 122.820 0.038 0.000 1.917 51 A HA 0.108 4.419 4.320 -0.016 0.000 0.219 51 A C 2.307 179.891 177.584 0.000 0.000 1.182 51 A CA 2.343 54.384 52.037 0.006 0.000 0.633 51 A CB -1.716 17.252 19.000 -0.053 0.000 0.819 51 A HN 1.464 9.614 8.150 -0.000 0.000 0.448 52 A N 0.147 122.974 122.820 0.012 0.000 1.877 52 A HA -0.090 4.220 4.320 -0.016 0.000 0.216 52 A C 2.564 180.128 177.584 -0.034 0.000 1.186 52 A CA 2.495 54.518 52.037 -0.023 0.000 0.620 52 A CB -1.100 17.899 19.000 -0.001 0.000 0.822 52 A HN 1.093 9.243 8.150 -0.000 0.000 0.443 53 S N -0.241 115.444 115.700 -0.025 0.000 2.368 53 S HA -0.196 4.265 4.470 -0.016 0.000 0.225 53 S C 2.056 176.575 174.600 -0.134 0.000 1.030 53 S CA 1.832 59.992 58.200 -0.067 0.000 0.999 53 S CB -0.637 62.534 63.200 -0.049 0.000 0.844 53 S HN 0.497 8.807 8.310 -0.000 0.000 0.459 54 M N 1.464 121.009 119.600 -0.092 0.000 2.175 54 M HA 0.035 4.506 4.480 -0.016 0.000 0.264 54 M C 2.788 179.048 176.300 -0.067 0.000 1.063 54 M CA 1.384 56.618 55.300 -0.110 0.000 1.119 54 M CB -0.818 31.856 32.600 0.123 0.000 1.377 54 M HN 0.569 8.859 8.290 -0.000 0.000 0.415 55 A N 0.248 123.048 122.820 -0.033 0.000 1.883 55 A HA -0.172 4.139 4.320 -0.016 0.000 0.217 55 A C 2.202 179.757 177.584 -0.048 0.000 1.186 55 A CA 2.392 54.414 52.037 -0.025 0.000 0.624 55 A CB -1.249 17.730 19.000 -0.034 0.000 0.822 55 A HN 0.439 8.589 8.150 -0.000 0.000 0.444 56 T N -0.514 113.996 114.554 -0.073 0.000 2.684 56 T HA -0.177 4.164 4.350 -0.016 0.000 0.267 56 T C 1.937 176.584 174.700 -0.089 0.000 1.036 56 T CA 1.889 63.943 62.100 -0.076 0.000 1.148 56 T CB -0.269 68.552 68.868 -0.079 0.000 0.863 56 T HN 0.634 8.874 8.240 -0.000 0.000 0.436 57 E N 1.339 121.445 120.200 -0.157 0.000 2.077 57 E HA -0.021 4.319 4.350 -0.016 0.000 0.193 57 E C 2.216 178.780 176.600 -0.061 0.000 0.989 57 E CA 1.367 57.661 56.400 -0.177 0.000 0.800 57 E CB -0.613 28.816 29.700 -0.453 0.000 0.746 57 E HN 0.431 8.791 8.360 -0.000 0.000 0.452 58 A N -0.127 122.683 122.820 -0.017 0.000 1.902 58 A HA -0.213 4.098 4.320 -0.016 0.000 0.217 58 A C 2.594 180.193 177.584 0.025 0.000 1.181 58 A CA 1.573 53.639 52.037 0.049 0.000 0.623 58 A CB -1.068 17.975 19.000 0.071 0.000 0.818 58 A HN 0.503 8.653 8.150 -0.000 0.000 0.443 59 C N -1.055 118.246 119.300 0.002 0.000 2.429 59 C HA -0.072 4.379 4.460 -0.016 0.000 0.277 59 C C 2.845 177.833 174.990 -0.003 0.000 1.262 59 C CA 0.984 60.002 59.018 -0.001 0.000 1.733 59 C CB -1.317 26.413 27.740 -0.017 0.000 2.010 59 C HN 0.595 8.825 8.230 -0.000 0.000 0.483 60 R N 0.516 121.009 120.500 -0.012 0.000 2.096 60 R HA -0.146 4.184 4.340 -0.016 0.000 0.240 60 R C 2.410 178.713 176.300 0.005 0.000 1.139 60 R CA 1.519 57.614 56.100 -0.009 0.000 0.952 60 R CB -0.333 29.955 30.300 -0.020 0.000 0.854 60 R HN 0.602 8.872 8.270 -0.000 0.000 0.436 61 R N 0.029 120.539 120.500 0.016 0.000 2.092 61 R HA -0.024 4.307 4.340 -0.016 0.000 0.231 61 R C 2.361 178.676 176.300 0.026 0.000 1.119 61 R CA 1.171 57.287 56.100 0.028 0.000 0.970 61 R CB -0.308 30.020 30.300 0.047 0.000 0.864 61 R HN 0.203 8.473 8.270 -0.000 0.000 0.440 62 A N 1.344 124.180 122.820 0.026 0.000 1.902 62 A HA -0.135 4.175 4.320 -0.016 0.000 0.217 62 A C 2.164 179.760 177.584 0.020 0.000 1.181 62 A CA 1.173 53.226 52.037 0.027 0.000 0.623 62 A CB -0.549 18.471 19.000 0.032 0.000 0.818 62 A HN 0.169 8.319 8.150 -0.000 0.000 0.443 63 L N -0.471 120.760 121.223 0.013 0.000 2.046 63 L HA -0.181 4.150 4.340 -0.016 0.000 0.208 63 L C 2.892 179.768 176.870 0.009 0.000 1.077 63 L CA 1.559 56.404 54.840 0.008 0.000 0.747 63 L CB -0.497 41.563 42.059 0.001 0.000 0.896 63 L HN 0.338 8.568 8.230 -0.000 0.000 0.432 64 S N 0.007 115.714 115.700 0.011 0.000 2.368 64 S HA -0.143 4.318 4.470 -0.016 0.000 0.225 64 S C 1.679 176.287 174.600 0.014 0.000 1.030 64 S CA 1.337 59.544 58.200 0.011 0.000 0.999 64 S CB -0.353 62.855 63.200 0.013 0.000 0.844 64 S HN 0.446 8.756 8.310 -0.000 0.000 0.459 65 N N 1.755 120.466 118.700 0.017 0.000 2.381 65 N HA 0.066 4.797 4.740 -0.016 0.000 0.182 65 N C 1.410 176.931 175.510 0.019 0.000 1.025 65 N CA 0.991 54.052 53.050 0.019 0.000 0.888 65 N CB -0.382 38.119 38.487 0.023 0.000 0.965 65 N HN 0.448 8.828 8.380 -0.000 0.000 0.438 66 A N -0.245 122.585 122.820 0.017 0.000 2.178 66 A HA 0.399 4.710 4.320 -0.016 0.000 0.211 66 A C 1.437 179.028 177.584 0.012 0.000 1.157 66 A CA 0.721 52.767 52.037 0.016 0.000 0.780 66 A CB -0.305 18.704 19.000 0.015 0.000 0.828 66 A HN 0.254 8.404 8.150 -0.000 0.000 0.476 67 G N -0.908 107.898 108.800 0.010 0.000 2.198 67 G HA2 -0.202 3.749 3.960 -0.016 0.000 0.257 67 G HA3 -0.202 3.749 3.960 -0.016 0.000 0.257 67 G C -0.067 174.837 174.900 0.005 0.000 1.042 67 G CA 0.628 45.733 45.100 0.008 0.000 0.791 67 G HN 0.468 8.758 8.290 -0.000 0.000 0.502 68 L N -0.237 120.989 121.223 0.005 0.000 2.279 68 L HA 0.855 5.186 4.340 -0.016 0.000 0.262 68 L C 0.803 177.673 176.870 -0.000 0.000 1.019 68 L CA -0.508 54.333 54.840 0.002 0.000 0.823 68 L CB 2.108 44.168 42.059 0.001 0.000 1.358 68 L HN 0.399 8.629 8.230 -0.000 0.000 0.432 69 S N -0.529 115.169 115.700 -0.003 0.000 2.726 69 S HA 0.613 5.073 4.470 -0.016 0.000 0.308 69 S C 0.700 175.295 174.600 -0.007 0.000 1.115 69 S CA -0.058 58.139 58.200 -0.005 0.000 0.965 69 S CB 1.664 64.861 63.200 -0.005 0.000 1.145 69 S HN 0.697 9.007 8.310 -0.000 0.000 0.532 70 A N 1.014 123.828 122.820 -0.010 0.000 1.948 70 A HA 0.094 4.405 4.320 -0.016 0.000 0.220 70 A C 2.336 179.913 177.584 -0.013 0.000 1.177 70 A CA 2.125 54.154 52.037 -0.013 0.000 0.636 70 A CB -1.761 17.230 19.000 -0.015 0.000 0.815 70 A HN 1.515 9.665 8.150 -0.000 0.000 0.449 71 A N -0.211 122.603 122.820 -0.011 0.000 2.024 71 A HA -0.194 4.117 4.320 -0.016 0.000 0.220 71 A C 1.575 179.153 177.584 -0.010 0.000 1.164 71 A CA 1.737 53.768 52.037 -0.010 0.000 0.643 71 A CB -0.473 18.523 19.000 -0.008 0.000 0.806 71 A HN 0.530 8.680 8.150 -0.000 0.000 0.451 72 D N -0.487 119.908 120.400 -0.009 0.000 2.363 72 D HA 0.056 4.686 4.640 -0.016 0.000 0.220 72 D C 0.209 176.502 176.300 -0.011 0.000 0.994 72 D CA 0.375 54.370 54.000 -0.009 0.000 0.890 72 D CB 0.105 40.901 40.800 -0.007 0.000 0.906 72 D HN 0.255 8.625 8.370 -0.000 0.000 0.530 73 I N 1.470 122.031 120.570 -0.015 0.000 2.385 73 I HA 0.073 4.234 4.170 -0.016 0.000 0.294 73 I C 1.004 177.108 176.117 -0.022 0.000 0.988 73 I CA -0.320 60.968 61.300 -0.020 0.000 1.265 73 I CB 1.595 39.581 38.000 -0.024 0.000 1.388 73 I HN -0.242 7.968 8.210 -0.000 0.000 0.480 74 D N 3.747 124.133 120.400 -0.024 0.000 2.392 74 D HA 0.241 4.871 4.640 -0.016 0.000 0.206 74 D C 0.868 177.149 176.300 -0.031 0.000 1.046 74 D CA 0.499 54.486 54.000 -0.022 0.000 0.865 74 D CB 1.589 42.379 40.800 -0.016 0.000 0.969 74 D HN 0.722 9.092 8.370 -0.000 0.000 0.509 75 G N -0.073 108.698 108.800 -0.048 0.000 2.632 75 G HA2 0.436 4.386 3.960 -0.016 0.000 0.292 75 G HA3 0.436 4.386 3.960 -0.016 0.000 0.292 75 G C -2.053 172.783 174.900 -0.107 0.000 1.465 75 G CA -0.459 44.596 45.100 -0.075 0.000 0.824 75 G HN -0.015 8.275 8.290 -0.000 0.000 0.509 76 V N 1.391 121.212 119.914 -0.156 0.000 2.623 76 V HA 0.700 4.811 4.120 -0.016 0.000 0.304 76 V C -0.944 174.965 176.094 -0.307 0.000 1.054 76 V CA -0.850 61.344 62.300 -0.177 0.000 0.882 76 V CB 1.347 33.097 31.823 -0.121 0.000 1.002 76 V HN 0.660 8.850 8.190 -0.000 0.000 0.424 77 I N 6.910 127.288 120.570 -0.321 0.000 2.339 77 I HA 0.463 4.624 4.170 -0.016 0.000 0.290 77 I C -0.431 175.560 176.117 -0.210 0.000 0.994 77 I CA -0.837 60.206 61.300 -0.428 0.000 1.191 77 I CB 1.906 39.629 38.000 -0.462 0.000 1.343 77 I HN 0.287 8.497 8.210 -0.000 0.000 0.458 78 V N 5.054 124.862 119.914 -0.176 0.000 2.370 78 V HA 0.281 4.391 4.120 -0.016 0.000 0.279 78 V C 0.269 176.340 176.094 -0.038 0.000 1.029 78 V CA -0.316 61.930 62.300 -0.090 0.000 0.870 78 V CB 1.524 33.279 31.823 -0.112 0.000 0.984 78 V HN 0.752 8.942 8.190 -0.000 0.000 0.451 79 T N 3.964 118.524 114.554 0.011 0.000 2.779 79 T HA 0.663 5.003 4.350 -0.016 0.000 0.280 79 T C -0.468 174.254 174.700 0.037 0.000 0.987 79 T CA -0.087 62.041 62.100 0.046 0.000 0.966 79 T CB 1.107 70.032 68.868 0.095 0.000 0.933 79 T HN 0.941 9.181 8.240 -0.000 0.000 0.442 80 T N 3.343 117.906 114.554 0.016 0.000 2.786 80 T HA 0.419 4.759 4.350 -0.016 0.000 0.316 80 T C -0.799 173.891 174.700 -0.017 0.000 1.503 80 T CA -0.702 61.393 62.100 -0.009 0.000 1.019 80 T CB 1.099 69.943 68.868 -0.041 0.000 1.415 80 T HN 0.576 8.816 8.240 -0.000 0.000 0.496 81 N N 1.017 119.690 118.700 -0.044 0.000 2.194 81 N HA 0.134 4.864 4.740 -0.016 0.000 0.231 81 N C 0.192 175.638 175.510 -0.107 0.000 1.247 81 N CA 0.126 53.149 53.050 -0.046 0.000 0.884 81 N CB 1.251 39.717 38.487 -0.034 0.000 1.146 81 N HN 0.744 9.124 8.380 -0.000 0.000 0.516 82 T N -2.948 111.470 114.554 -0.226 0.000 3.442 82 T HA 0.097 4.437 4.350 -0.016 0.000 0.295 82 T C -0.339 173.776 174.700 -0.974 0.000 1.007 82 T CA -0.358 61.373 62.100 -0.616 0.000 0.962 82 T CB -0.493 68.139 68.868 -0.393 0.000 1.187 82 T HN 0.065 8.305 8.240 -0.000 0.000 0.490 83 H N 0.972 119.688 119.070 -0.590 0.000 2.782 83 H HA 0.409 4.955 4.556 -0.017 0.000 0.285 83 H C -0.250 174.841 175.328 -0.396 0.000 1.093 83 H CA -1.582 54.203 56.048 -0.438 0.000 1.410 83 H CB -0.109 29.536 29.762 -0.195 0.000 1.439 83 H HN 0.360 8.640 8.280 -0.000 0.000 0.469 84 F N 5.466 125.226 119.950 -0.317 0.000 2.696 84 F HA 0.193 4.710 4.527 -0.016 0.000 0.296 84 F C -0.221 175.308 175.800 -0.451 0.000 1.181 84 F CA -0.222 57.583 58.000 -0.326 0.000 1.411 84 F CB 0.041 38.885 39.000 -0.260 0.000 1.014 84 F HN 0.250 8.550 8.300 -0.000 0.000 0.512 85 L N 0.118 121.058 121.223 -0.472 0.000 2.386 85 L HA 0.318 4.649 4.340 -0.016 0.000 0.271 85 L C 0.994 177.751 176.870 -0.188 0.000 0.993 85 L CA -0.853 53.786 54.840 -0.335 0.000 0.819 85 L CB 1.826 43.681 42.059 -0.339 0.000 1.294 85 L HN -0.114 8.116 8.230 -0.000 0.000 0.414 86 Q N 0.292 120.036 119.800 -0.094 0.000 2.124 86 Q HA -0.006 4.325 4.340 -0.016 0.000 0.202 86 Q C 0.526 176.544 176.000 0.030 0.000 0.977 86 Q CA 1.015 56.812 55.803 -0.009 0.000 0.850 86 Q CB 0.186 28.923 28.738 -0.002 0.000 0.901 86 Q HN 0.712 8.982 8.270 -0.000 0.000 0.429 87 T N 0.131 114.696 114.554 0.018 0.000 2.886 87 T HA 0.380 4.720 4.350 -0.016 0.000 0.330 87 T C -2.770 171.957 174.700 0.045 0.000 1.488 87 T CA -1.251 60.882 62.100 0.054 0.000 1.054 87 T CB 1.819 70.707 68.868 0.033 0.000 1.348 87 T HN -0.111 8.129 8.240 -0.000 0.000 0.489 88 P HA 0.470 4.890 4.420 -0.000 0.000 0.276 88 P C -2.768 174.627 177.300 0.158 0.000 1.261 88 P CA -1.402 61.751 63.100 0.088 0.000 0.800 88 P CB -0.287 31.448 31.700 0.059 0.000 1.066 89 P HA 0.049 4.469 4.420 -0.000 0.000 0.272 89 P C 0.356 177.564 177.300 -0.154 0.000 1.223 89 P CA -0.067 63.023 63.100 -0.017 0.000 0.784 89 P CB 0.529 32.230 31.700 0.001 0.000 0.923 90 A N 2.661 125.207 122.820 -0.457 0.000 1.968 90 A HA -0.009 4.301 4.320 -0.016 0.000 0.217 90 A C 2.238 179.703 177.584 -0.199 0.000 1.169 90 A CA 1.708 53.481 52.037 -0.440 0.000 0.638 90 A CB -1.469 17.149 19.000 -0.638 0.000 0.812 90 A HN 0.580 8.730 8.150 -0.000 0.000 0.446 91 A N 0.743 123.469 122.820 -0.157 0.000 1.873 91 A HA -0.120 4.191 4.320 -0.016 0.000 0.218 91 A C 0.261 177.796 177.584 -0.080 0.000 1.193 91 A CA 2.099 54.068 52.037 -0.114 0.000 0.629 91 A CB -1.799 17.133 19.000 -0.114 0.000 0.826 91 A HN 0.456 8.606 8.150 -0.000 0.000 0.447 92 P HA -0.181 4.239 4.420 -0.000 0.000 0.217 92 P C 1.870 179.149 177.300 -0.036 0.000 1.150 92 P CA 1.780 64.859 63.100 -0.035 0.000 0.832 92 P CB -0.296 31.394 31.700 -0.017 0.000 0.787 93 M N -2.593 116.983 119.600 -0.040 0.000 2.200 93 M HA -0.055 4.415 4.480 -0.016 0.000 0.265 93 M C 1.670 177.946 176.300 -0.040 0.000 1.066 93 M CA 1.833 57.114 55.300 -0.031 0.000 1.127 93 M CB -1.440 31.149 32.600 -0.018 0.000 1.379 93 M HN -0.286 8.004 8.290 -0.000 0.000 0.420 94 V N 1.874 121.753 119.914 -0.057 0.000 2.295 94 V HA -0.220 3.891 4.120 -0.016 0.000 0.246 94 V C 3.117 179.182 176.094 -0.049 0.000 1.049 94 V CA 2.099 64.364 62.300 -0.058 0.000 1.024 94 V CB -1.371 30.408 31.823 -0.073 0.000 0.648 94 V HN 0.670 8.860 8.190 -0.000 0.000 0.447 95 A N -0.002 122.788 122.820 -0.050 0.000 1.902 95 A HA -0.143 4.167 4.320 -0.016 0.000 0.217 95 A C 2.424 179.989 177.584 -0.032 0.000 1.181 95 A CA 2.201 54.213 52.037 -0.042 0.000 0.623 95 A CB -0.800 18.174 19.000 -0.042 0.000 0.818 95 A HN 0.578 8.728 8.150 -0.000 0.000 0.443 96 A N -0.735 122.068 122.820 -0.029 0.000 1.902 96 A HA -0.055 4.255 4.320 -0.016 0.000 0.217 96 A C 2.429 180.000 177.584 -0.022 0.000 1.181 96 A CA 2.005 54.029 52.037 -0.022 0.000 0.623 96 A CB -0.855 18.134 19.000 -0.018 0.000 0.818 96 A HN 0.444 8.594 8.150 -0.000 0.000 0.443 97 S N -0.202 115.482 115.700 -0.027 0.000 2.399 97 S HA -0.059 4.402 4.470 -0.016 0.000 0.231 97 S C 1.643 176.226 174.600 -0.029 0.000 1.022 97 S CA 1.310 59.493 58.200 -0.028 0.000 0.983 97 S CB -0.381 62.798 63.200 -0.035 0.000 0.803 97 S HN 0.513 8.823 8.310 -0.000 0.000 0.480 98 L N 0.417 121.622 121.223 -0.030 0.000 2.478 98 L HA 0.130 4.460 4.340 -0.016 0.000 0.223 98 L C 1.603 178.460 176.870 -0.021 0.000 1.140 98 L CA 0.529 55.353 54.840 -0.027 0.000 0.842 98 L CB -0.484 41.557 42.059 -0.029 0.000 0.953 98 L HN 0.514 8.744 8.230 -0.000 0.000 0.452 99 G N 0.045 108.833 108.800 -0.020 0.000 2.140 99 G HA2 -0.159 3.791 3.960 -0.016 0.000 0.211 99 G HA3 -0.159 3.791 3.960 -0.016 0.000 0.211 99 G C 0.236 175.126 174.900 -0.016 0.000 1.013 99 G CA -0.033 45.057 45.100 -0.016 0.000 0.705 99 G HN 0.444 8.734 8.290 -0.000 0.000 0.508 100 A N 0.159 122.967 122.820 -0.019 0.000 3.176 100 A HA 0.654 4.964 4.320 -0.016 0.000 0.265 100 A C 1.319 178.891 177.584 -0.019 0.000 0.936 100 A CA 0.792 52.818 52.037 -0.018 0.000 1.033 100 A CB -0.069 18.918 19.000 -0.021 0.000 1.158 100 A HN 0.929 9.079 8.150 -0.000 0.000 0.485 101 K N -0.817 119.573 120.400 -0.016 0.000 2.286 101 K HA -0.103 4.207 4.320 -0.016 0.000 0.203 101 K C 1.301 177.893 176.600 -0.014 0.000 1.045 101 K CA 2.061 58.338 56.287 -0.016 0.000 0.935 101 K CB -0.179 32.314 32.500 -0.012 0.000 0.737 101 K HN 0.366 8.616 8.250 -0.000 0.000 0.460 102 G N 1.973 110.766 108.800 -0.012 0.000 2.939 102 G HA2 0.116 4.067 3.960 -0.016 0.000 0.210 102 G HA3 0.116 4.067 3.960 -0.016 0.000 0.210 102 G C 0.693 175.587 174.900 -0.010 0.000 1.160 102 G CA -0.077 45.017 45.100 -0.009 0.000 0.770 102 G HN 0.465 8.755 8.290 -0.000 0.000 0.543 103 I N -0.068 120.492 120.570 -0.016 0.000 2.779 103 I HA 0.509 4.670 4.170 -0.016 0.000 0.285 103 I C 0.619 176.724 176.117 -0.019 0.000 1.134 103 I CA -1.261 60.028 61.300 -0.019 0.000 1.398 103 I CB 0.733 38.716 38.000 -0.028 0.000 1.404 103 I HN -0.028 8.182 8.210 -0.000 0.000 0.587 104 L N 3.651 124.865 121.223 -0.014 0.000 2.473 104 L HA 0.901 5.232 4.340 -0.016 0.000 0.268 104 L C 0.316 177.161 176.870 -0.041 0.000 1.215 104 L CA 0.441 55.280 54.840 -0.001 0.000 0.823 104 L CB -0.114 41.959 42.059 0.022 0.000 1.099 104 L HN 1.049 9.279 8.230 -0.000 0.000 0.483 105 G N 0.626 109.413 108.800 -0.022 0.000 2.340 105 G HA2 0.525 4.475 3.960 -0.016 0.000 0.298 105 G HA3 0.525 4.475 3.960 -0.016 0.000 0.298 105 G C -1.519 173.371 174.900 -0.016 0.000 1.498 105 G CA -0.346 44.663 45.100 -0.153 0.000 0.847 105 G HN 1.293 9.583 8.290 -0.000 0.000 0.594 106 F N -1.577 118.349 119.950 -0.041 0.000 2.773 106 F HA 0.758 5.279 4.527 -0.010 0.000 0.314 106 F C -1.645 174.121 175.800 -0.056 0.000 1.160 106 F CA -1.397 56.575 58.000 -0.047 0.000 0.920 106 F CB 1.126 40.103 39.000 -0.038 0.000 1.323 106 F HN 0.352 8.652 8.300 -0.000 0.000 0.457 107 D N 1.915 122.462 120.400 0.245 0.000 2.177 107 D HA 0.529 5.159 4.640 -0.016 0.000 0.247 107 D C -1.175 175.260 176.300 0.225 0.000 1.063 107 D CA -0.015 54.058 54.000 0.122 0.000 0.867 107 D CB 2.243 43.054 40.800 0.019 0.000 1.168 107 D HN 0.763 9.133 8.370 -0.000 0.000 0.445 108 L N 1.394 122.714 121.223 0.162 0.000 2.356 108 L HA 0.488 4.818 4.340 -0.016 0.000 0.277 108 L C -0.794 176.115 176.870 0.065 0.000 0.996 108 L CA -0.387 54.536 54.840 0.140 0.000 0.822 108 L CB 1.515 43.689 42.059 0.191 0.000 1.256 108 L HN 0.269 8.499 8.230 -0.000 0.000 0.413 109 S N 3.782 119.498 115.700 0.026 0.000 2.552 109 S HA 0.822 5.282 4.470 -0.016 0.000 0.314 109 S C -0.106 174.490 174.600 -0.005 0.000 1.099 109 S CA 0.188 58.397 58.200 0.016 0.000 1.070 109 S CB 1.605 64.811 63.200 0.010 0.000 0.998 109 S HN 0.815 9.125 8.310 -0.000 0.000 0.474 110 A N 3.668 126.509 122.820 0.034 0.000 2.758 110 A HA 0.653 4.964 4.320 -0.016 0.000 0.223 110 A C 0.977 178.617 177.584 0.093 0.000 0.877 110 A CA 0.181 52.253 52.037 0.059 0.000 1.152 110 A CB -0.683 18.393 19.000 0.126 0.000 1.239 110 A HN 2.020 10.170 8.150 -0.000 0.000 0.470 111 G N 0.376 109.203 108.800 0.045 0.000 2.582 111 G HA2 0.018 3.968 3.960 -0.016 0.000 0.288 111 G HA3 0.018 3.968 3.960 -0.016 0.000 0.288 111 G C 1.401 176.301 174.900 -0.000 0.000 1.247 111 G CA 0.959 46.073 45.100 0.023 0.000 0.972 111 G HN 1.778 10.068 8.290 -0.000 0.000 0.557 112 A N -0.694 122.073 122.820 -0.088 0.000 2.019 112 A HA 0.328 4.639 4.320 -0.016 0.000 0.219 112 A C 2.891 180.401 177.584 -0.123 0.000 1.164 112 A CA 3.000 54.858 52.037 -0.299 0.000 0.644 112 A CB -0.840 17.586 19.000 -0.957 0.000 0.805 112 A HN 2.301 10.451 8.150 -0.000 0.000 0.449 113 A N -0.442 122.399 122.820 0.035 0.000 2.216 113 A HA 0.232 4.542 4.320 -0.016 0.000 0.214 113 A C 2.178 179.888 177.584 0.209 0.000 1.160 113 A CA 1.355 53.467 52.037 0.125 0.000 0.725 113 A CB -1.124 17.998 19.000 0.204 0.000 0.784 113 A HN 0.677 8.827 8.150 -0.000 0.000 0.472 114 G N -0.534 108.392 108.800 0.209 0.000 2.469 114 G HA2 -0.299 3.651 3.960 -0.016 0.000 0.219 114 G HA3 -0.299 3.651 3.960 -0.016 0.000 0.219 114 G C 1.365 176.391 174.900 0.211 0.000 1.150 114 G CA 1.249 46.485 45.100 0.226 0.000 0.763 114 G HN 0.535 8.825 8.290 -0.000 0.000 0.561 115 F N 2.302 122.285 119.950 0.056 0.000 2.102 115 F HA 0.046 4.563 4.527 -0.016 0.000 0.298 115 F C 2.599 178.425 175.800 0.043 0.000 1.105 115 F CA 1.671 59.695 58.000 0.040 0.000 1.239 115 F CB -0.530 38.481 39.000 0.018 0.000 0.991 115 F HN 0.112 8.412 8.300 -0.000 0.000 0.474 116 G N -1.278 107.532 108.800 0.016 0.000 2.418 116 G HA2 -0.300 3.651 3.960 -0.016 0.000 0.217 116 G HA3 -0.300 3.651 3.960 -0.016 0.000 0.217 116 G C 1.436 176.243 174.900 -0.155 0.000 1.158 116 G CA 0.979 46.009 45.100 -0.117 0.000 0.771 116 G HN 0.417 8.707 8.290 -0.000 0.000 0.545 117 Y N 1.212 121.487 120.300 -0.041 0.000 2.200 117 Y HA 0.069 4.614 4.550 -0.009 0.000 0.290 117 Y C 3.116 178.981 175.900 -0.058 0.000 1.137 117 Y CA 0.749 58.830 58.100 -0.032 0.000 1.163 117 Y CB -0.500 37.959 38.460 -0.002 0.000 0.988 117 Y HN 0.259 8.539 8.280 -0.000 0.000 0.518 118 A N -0.620 122.239 122.820 0.064 0.000 1.930 118 A HA -0.132 4.179 4.320 -0.016 0.000 0.217 118 A C 2.170 179.665 177.584 -0.148 0.000 1.175 118 A CA 1.428 53.449 52.037 -0.026 0.000 0.627 118 A CB -0.977 17.989 19.000 -0.057 0.000 0.815 118 A HN 0.404 8.554 8.150 -0.000 0.000 0.443 119 L N 0.144 121.172 121.223 -0.324 0.000 2.027 119 L HA 0.022 4.352 4.340 -0.016 0.000 0.206 119 L C 2.391 179.173 176.870 -0.147 0.000 1.074 119 L CA 2.356 56.994 54.840 -0.337 0.000 0.745 119 L CB -1.164 40.558 42.059 -0.563 0.000 0.898 119 L HN 0.284 8.514 8.230 -0.000 0.000 0.433 120 G N -1.022 107.721 108.800 -0.095 0.000 2.440 120 G HA2 -0.268 3.682 3.960 -0.016 0.000 0.218 120 G HA3 -0.268 3.682 3.960 -0.016 0.000 0.218 120 G C 1.588 176.497 174.900 0.015 0.000 1.154 120 G CA 0.874 45.961 45.100 -0.022 0.000 0.767 120 G HN 0.647 8.937 8.290 -0.000 0.000 0.552 121 A N 1.069 123.914 122.820 0.042 0.000 1.898 121 A HA 0.315 4.626 4.320 -0.016 0.000 0.216 121 A C 2.811 180.425 177.584 0.049 0.000 1.181 121 A CA 2.164 54.248 52.037 0.079 0.000 0.620 121 A CB -0.734 18.359 19.000 0.156 0.000 0.819 121 A HN 0.749 8.899 8.150 -0.000 0.000 0.442 122 A N -0.009 122.809 122.820 -0.003 0.000 1.877 122 A HA 0.166 4.476 4.320 -0.016 0.000 0.216 122 A C 2.535 180.111 177.584 -0.013 0.000 1.186 122 A CA 2.122 54.143 52.037 -0.027 0.000 0.620 122 A CB -1.131 17.827 19.000 -0.070 0.000 0.822 122 A HN 1.068 9.218 8.150 -0.000 0.000 0.443 123 A N 0.150 122.960 122.820 -0.017 0.000 1.883 123 A HA -0.248 4.063 4.320 -0.016 0.000 0.217 123 A C 1.806 179.395 177.584 0.008 0.000 1.186 123 A CA 2.055 54.089 52.037 -0.005 0.000 0.624 123 A CB -0.722 18.274 19.000 -0.007 0.000 0.822 123 A HN 0.487 8.637 8.150 -0.000 0.000 0.444 124 D N -0.834 119.577 120.400 0.017 0.000 2.104 124 D HA -0.177 4.454 4.640 -0.016 0.000 0.194 124 D C 1.937 178.252 176.300 0.025 0.000 0.994 124 D CA 1.635 55.650 54.000 0.025 0.000 0.830 124 D CB -0.381 40.440 40.800 0.035 0.000 0.959 124 D HN 0.540 8.910 8.370 -0.000 0.000 0.452 125 M N 0.172 119.791 119.600 0.032 0.000 2.086 125 M HA -0.147 4.323 4.480 -0.016 0.000 0.261 125 M C 2.111 178.422 176.300 0.018 0.000 1.067 125 M CA 1.279 56.599 55.300 0.033 0.000 1.116 125 M CB -0.007 32.622 32.600 0.048 0.000 1.348 125 M HN -0.067 8.223 8.290 -0.000 0.000 0.407 126 I N -0.158 120.417 120.570 0.009 0.000 2.179 126 I HA -0.332 3.828 4.170 -0.016 0.000 0.242 126 I C 2.470 178.590 176.117 0.005 0.000 1.088 126 I CA 1.431 62.733 61.300 0.003 0.000 1.357 126 I CB -0.496 37.502 38.000 -0.002 0.000 1.051 126 I HN 0.299 8.509 8.210 -0.000 0.000 0.409 127 R N 0.540 121.045 120.500 0.007 0.000 2.120 127 R HA -0.111 4.220 4.340 -0.016 0.000 0.234 127 R C 2.267 178.572 176.300 0.008 0.000 1.123 127 R CA 1.412 57.517 56.100 0.008 0.000 0.975 127 R CB -0.646 29.661 30.300 0.011 0.000 0.866 127 R HN 0.460 8.730 8.270 -0.000 0.000 0.446 128 G N -0.767 108.039 108.800 0.011 0.000 2.650 128 G HA2 0.062 4.012 3.960 -0.016 0.000 0.214 128 G HA3 0.062 4.012 3.960 -0.016 0.000 0.214 128 G C 0.908 175.814 174.900 0.009 0.000 1.136 128 G CA 0.581 45.688 45.100 0.011 0.000 0.789 128 G HN 0.492 8.782 8.290 -0.000 0.000 0.536 129 G N -1.264 107.541 108.800 0.008 0.000 2.157 129 G HA2 -0.125 3.826 3.960 -0.016 0.000 0.239 129 G HA3 -0.125 3.826 3.960 -0.016 0.000 0.239 129 G C 1.190 176.094 174.900 0.007 0.000 0.982 129 G CA 0.488 45.592 45.100 0.005 0.000 0.650 129 G HN 1.040 9.330 8.290 -0.000 0.000 0.527 130 G N -0.450 108.357 108.800 0.012 0.000 2.650 130 G HA2 0.615 4.566 3.960 -0.016 0.000 0.214 130 G HA3 0.615 4.566 3.960 -0.016 0.000 0.214 130 G C 0.607 175.514 174.900 0.011 0.000 1.136 130 G CA 1.935 47.044 45.100 0.015 0.000 0.789 130 G HN 1.911 10.201 8.290 -0.000 0.000 0.536 131 A N -2.152 120.672 122.820 0.005 0.000 2.608 131 A HA 0.750 5.061 4.320 -0.016 0.000 0.292 131 A C 0.326 177.907 177.584 -0.005 0.000 1.066 131 A CA 0.361 52.397 52.037 -0.002 0.000 0.676 131 A CB 0.491 19.487 19.000 -0.007 0.000 1.277 131 A HN 0.748 8.898 8.150 -0.000 0.000 0.413 132 A N -0.145 122.670 122.820 -0.008 0.000 1.963 132 A HA 0.581 4.891 4.320 -0.016 0.000 0.207 132 A C 0.775 178.353 177.584 -0.010 0.000 1.243 132 A CA 1.641 53.673 52.037 -0.009 0.000 0.728 132 A CB 0.123 19.118 19.000 -0.009 0.000 0.895 132 A HN 1.124 9.274 8.150 -0.000 0.000 0.467 133 T N 0.217 114.763 114.554 -0.013 0.000 2.916 133 T HA 0.668 5.008 4.350 -0.016 0.000 0.298 133 T C -0.770 173.917 174.700 -0.022 0.000 1.031 133 T CA -0.162 61.929 62.100 -0.014 0.000 0.993 133 T CB 1.535 70.396 68.868 -0.011 0.000 1.045 133 T HN 0.249 8.489 8.240 -0.000 0.000 0.454 134 M N 2.440 122.025 119.600 -0.026 0.000 2.593 134 M HA 0.551 5.022 4.480 -0.016 0.000 0.290 134 M C -1.419 174.859 176.300 -0.037 0.000 1.244 134 M CA -0.867 54.408 55.300 -0.042 0.000 0.857 134 M CB 2.502 35.067 32.600 -0.058 0.000 1.738 134 M HN 0.330 8.620 8.290 -0.000 0.000 0.461 135 L N 1.725 122.919 121.223 -0.049 0.000 2.309 135 L HA 0.670 5.000 4.340 -0.016 0.000 0.282 135 L C -1.080 175.758 176.870 -0.053 0.000 1.036 135 L CA -0.813 54.005 54.840 -0.035 0.000 0.806 135 L CB 1.722 43.760 42.059 -0.034 0.000 1.220 135 L HN 0.369 8.599 8.230 -0.000 0.000 0.429 136 V N 4.382 124.288 119.914 -0.014 0.000 2.443 136 V HA 0.420 4.531 4.120 -0.016 0.000 0.293 136 V C -0.624 175.528 176.094 0.097 0.000 1.021 136 V CA -0.625 61.667 62.300 -0.013 0.000 0.848 136 V CB 2.210 33.988 31.823 -0.076 0.000 0.998 136 V HN 0.434 8.624 8.190 -0.000 0.000 0.424 137 V N 4.893 124.853 119.914 0.077 0.000 2.483 137 V HA 0.875 4.985 4.120 -0.016 0.000 0.297 137 V C 0.369 176.540 176.094 0.128 0.000 1.027 137 V CA 0.020 62.384 62.300 0.107 0.000 0.855 137 V CB 1.743 33.588 31.823 0.037 0.000 0.995 137 V HN 0.924 9.114 8.190 -0.000 0.000 0.424 138 G N 3.499 112.403 108.800 0.172 0.000 2.338 138 G HA2 0.576 4.527 3.960 -0.016 0.000 0.298 138 G HA3 0.576 4.527 3.960 -0.016 0.000 0.298 138 G C -0.395 174.542 174.900 0.061 0.000 1.140 138 G CA -0.115 45.063 45.100 0.132 0.000 0.860 138 G HN 0.977 9.267 8.290 -0.000 0.000 0.470 139 T N 1.112 115.693 114.554 0.045 0.000 2.993 139 T HA 0.559 4.899 4.350 -0.016 0.000 0.312 139 T C -1.591 173.121 174.700 0.021 0.000 1.115 139 T CA -0.688 61.434 62.100 0.036 0.000 1.027 139 T CB 1.723 70.605 68.868 0.024 0.000 1.116 139 T HN 0.426 8.666 8.240 -0.000 0.000 0.464 140 E N 2.967 123.188 120.200 0.036 0.000 2.290 140 E HA 0.276 4.617 4.350 -0.016 0.000 0.274 140 E C -1.156 175.470 176.600 0.042 0.000 0.889 140 E CA -0.761 55.650 56.400 0.018 0.000 0.760 140 E CB 2.413 32.132 29.700 0.032 0.000 1.206 140 E HN 0.569 8.929 8.360 -0.000 0.000 0.419 141 K N 4.002 124.416 120.400 0.023 0.000 2.432 141 K HA 0.307 4.617 4.320 -0.016 0.000 0.226 141 K C 0.564 177.236 176.600 0.121 0.000 1.057 141 K CA -0.087 56.249 56.287 0.082 0.000 1.034 141 K CB 0.095 32.678 32.500 0.138 0.000 1.561 141 K HN 0.427 8.677 8.250 -0.000 0.000 0.492 142 L N 1.214 122.470 121.223 0.055 0.000 2.240 142 L HA -0.126 4.204 4.340 -0.016 0.000 0.211 142 L C 2.191 179.048 176.870 -0.023 0.000 1.106 142 L CA 0.832 55.693 54.840 0.035 0.000 0.793 142 L CB -0.133 41.931 42.059 0.009 0.000 0.927 142 L HN 0.595 8.825 8.230 -0.000 0.000 0.446 143 S N 0.343 115.922 115.700 -0.202 0.000 2.374 143 S HA -0.130 4.331 4.470 -0.016 0.000 0.227 143 S C -0.481 173.982 174.600 -0.227 0.000 1.037 143 S CA 1.096 58.992 58.200 -0.506 0.000 1.024 143 S CB -1.988 60.457 63.200 -1.259 0.000 0.861 143 S HN 0.259 8.569 8.310 -0.000 0.000 0.456 144 P HA 0.017 4.437 4.420 -0.000 0.000 0.228 144 P C 1.377 178.654 177.300 -0.039 0.000 1.151 144 P CA 1.492 64.539 63.100 -0.089 0.000 0.770 144 P CB -0.414 31.179 31.700 -0.179 0.000 0.786 145 T N -4.586 109.988 114.554 0.032 0.000 3.086 145 T HA 0.201 4.541 4.350 -0.016 0.000 0.250 145 T C 0.618 175.464 174.700 0.244 0.000 1.074 145 T CA -0.143 62.015 62.100 0.096 0.000 0.988 145 T CB -0.617 68.308 68.868 0.096 0.000 0.988 145 T HN -0.068 8.172 8.240 -0.000 0.000 0.530 146 I N 2.837 123.517 120.570 0.183 0.000 2.441 146 I HA 0.261 4.421 4.170 -0.016 0.000 0.287 146 I C -0.051 176.095 176.117 0.048 0.000 1.049 146 I CA -0.648 60.741 61.300 0.148 0.000 1.381 146 I CB 0.802 38.867 38.000 0.109 0.000 1.409 146 I HN 0.088 8.298 8.210 -0.000 0.000 0.523 147 D N 7.467 127.707 120.400 -0.266 0.000 2.365 147 D HA 0.120 4.750 4.640 -0.016 0.000 0.237 147 D C 0.963 177.078 176.300 -0.309 0.000 1.190 147 D CA -0.473 53.067 54.000 -0.765 0.000 0.867 147 D CB 0.962 41.154 40.800 -1.013 0.000 1.050 147 D HN 0.522 8.892 8.370 -0.000 0.000 0.491 148 M N 2.061 121.494 119.600 -0.277 0.000 2.549 148 M HA -0.055 4.415 4.480 -0.016 0.000 0.260 148 M C 0.163 176.240 176.300 -0.372 0.000 1.076 148 M CA 1.027 56.158 55.300 -0.282 0.000 1.090 148 M CB -0.204 32.179 32.600 -0.362 0.000 1.418 148 M HN 0.244 8.534 8.290 -0.000 0.000 0.486 149 Y N 0.278 120.498 120.300 -0.133 0.000 2.457 149 Y HA 0.217 4.757 4.550 -0.017 0.000 0.263 149 Y C 0.611 176.477 175.900 -0.057 0.000 1.164 149 Y CA -0.447 57.615 58.100 -0.064 0.000 1.274 149 Y CB 0.038 38.445 38.460 -0.089 0.000 1.097 149 Y HN 0.231 8.511 8.280 -0.000 0.000 0.523 150 D N 2.002 122.409 120.400 0.012 0.000 2.374 150 D HA 0.001 4.631 4.640 -0.016 0.000 0.240 150 D C 0.913 177.222 176.300 0.016 0.000 1.229 150 D CA -0.171 53.827 54.000 -0.003 0.000 0.895 150 D CB 0.568 41.335 40.800 -0.055 0.000 1.046 150 D HN 0.430 8.800 8.370 -0.000 0.000 0.498 151 R N 2.327 122.871 120.500 0.075 0.000 2.346 151 R HA 0.060 4.391 4.340 -0.016 0.000 0.199 151 R C 1.296 177.725 176.300 0.215 0.000 1.015 151 R CA 0.363 56.562 56.100 0.165 0.000 1.058 151 R CB -0.076 30.286 30.300 0.104 0.000 0.921 151 R HN 0.301 8.571 8.270 -0.000 0.000 0.475 152 G N 1.664 110.498 108.800 0.056 0.000 2.656 152 G HA2 -0.168 3.783 3.960 -0.016 0.000 0.211 152 G HA3 -0.168 3.783 3.960 -0.016 0.000 0.211 152 G C 0.919 175.669 174.900 -0.251 0.000 1.137 152 G CA 0.291 45.410 45.100 0.033 0.000 0.802 152 G HN 0.578 8.868 8.290 -0.000 0.000 0.527 153 N N -0.991 117.456 118.700 -0.421 0.000 1.986 153 N HA -0.072 4.658 4.740 -0.016 0.000 0.227 153 N C 1.579 176.782 175.510 -0.512 0.000 1.387 153 N CA 0.580 53.300 53.050 -0.550 0.000 0.810 153 N CB -1.059 37.337 38.487 -0.153 0.000 1.140 153 N HN 0.223 8.603 8.380 -0.000 0.000 0.504 154 C N 0.107 119.168 119.300 -0.398 0.000 2.419 154 C HA 0.158 4.608 4.460 -0.016 0.000 0.283 154 C C 1.713 176.699 174.990 -0.007 0.000 1.373 154 C CA 0.207 59.163 59.018 -0.104 0.000 1.781 154 C CB -2.047 25.689 27.740 -0.006 0.000 1.886 154 C HN 0.411 8.641 8.230 -0.000 0.000 0.520 155 F N -0.941 119.069 119.950 0.100 0.000 2.727 155 F HA 0.499 5.018 4.527 -0.015 0.000 0.302 155 F C 1.720 177.546 175.800 0.043 0.000 1.097 155 F CA -0.676 57.378 58.000 0.090 0.000 1.330 155 F CB -0.788 38.276 39.000 0.107 0.000 1.084 155 F HN 0.039 8.339 8.300 -0.000 0.000 0.578 156 I N 0.142 120.583 120.570 -0.215 0.000 2.499 156 I HA 0.090 4.251 4.170 -0.016 0.000 0.243 156 I C 0.791 176.790 176.117 -0.197 0.000 1.085 156 I CA 0.318 61.445 61.300 -0.288 0.000 1.422 156 I CB -0.730 36.833 38.000 -0.729 0.000 1.165 156 I HN -0.032 8.178 8.210 -0.000 0.000 0.440 157 F N 0.853 120.860 119.950 0.094 0.000 2.382 157 F HA 0.523 5.041 4.527 -0.016 0.000 0.331 157 F C 0.556 176.479 175.800 0.206 0.000 1.121 157 F CA -0.354 57.719 58.000 0.122 0.000 1.183 157 F CB 0.966 40.015 39.000 0.081 0.000 1.207 157 F HN 0.053 8.353 8.300 -0.000 0.000 0.555 158 A N 1.060 124.122 122.820 0.404 0.000 2.515 158 A HA 0.632 4.943 4.320 -0.016 0.000 0.299 158 A C -1.935 175.789 177.584 0.234 0.000 1.179 158 A CA -0.910 51.348 52.037 0.369 0.000 0.656 158 A CB 1.326 20.528 19.000 0.337 0.000 1.306 158 A HN 0.543 8.693 8.150 -0.000 0.000 0.459 159 D N -0.845 119.689 120.400 0.223 0.000 2.340 159 D HA 0.755 5.385 4.640 -0.016 0.000 0.240 159 D C 0.100 176.472 176.300 0.119 0.000 1.001 159 D CA 0.779 54.867 54.000 0.146 0.000 0.888 159 D CB 1.867 42.748 40.800 0.135 0.000 1.310 159 D HN 1.382 9.752 8.370 -0.000 0.000 0.474 160 G N -1.007 107.858 108.800 0.107 0.000 2.321 160 G HA2 0.621 4.571 3.960 -0.016 0.000 0.298 160 G HA3 0.621 4.571 3.960 -0.016 0.000 0.298 160 G C -2.002 172.965 174.900 0.112 0.000 1.385 160 G CA -0.168 44.987 45.100 0.092 0.000 0.856 160 G HN 0.659 8.949 8.290 -0.000 0.000 0.584 161 A N -1.182 121.717 122.820 0.131 0.000 2.574 161 A HA 1.133 5.444 4.320 -0.016 0.000 0.297 161 A C -0.359 177.275 177.584 0.083 0.000 1.062 161 A CA 0.349 52.450 52.037 0.107 0.000 0.686 161 A CB 1.484 20.560 19.000 0.127 0.000 1.285 161 A HN 2.635 10.785 8.150 -0.000 0.000 0.403 162 A N 0.071 122.915 122.820 0.039 0.000 2.547 162 A HA 0.951 5.262 4.320 -0.016 0.000 0.297 162 A C -0.500 177.103 177.584 0.033 0.000 1.056 162 A CA 0.140 52.188 52.037 0.018 0.000 0.688 162 A CB 1.203 20.177 19.000 -0.043 0.000 1.282 162 A HN 2.580 10.730 8.150 -0.000 0.000 0.400 163 A N 0.668 123.521 122.820 0.055 0.000 2.413 163 A HA 0.881 5.192 4.320 -0.016 0.000 0.307 163 A C -0.351 177.297 177.584 0.107 0.000 1.087 163 A CA -0.124 51.969 52.037 0.093 0.000 0.750 163 A CB 1.434 20.469 19.000 0.058 0.000 1.296 163 A HN 2.242 10.392 8.150 -0.000 0.000 0.423 164 V N -0.516 119.490 119.914 0.153 0.000 2.769 164 V HA 0.807 4.918 4.120 -0.016 0.000 0.312 164 V C -0.382 175.755 176.094 0.073 0.000 1.061 164 V CA -0.835 61.542 62.300 0.128 0.000 0.931 164 V CB 1.297 33.240 31.823 0.202 0.000 1.010 164 V HN 0.650 8.840 8.190 -0.000 0.000 0.433 165 V N 4.200 124.144 119.914 0.051 0.000 2.432 165 V HA 0.464 4.575 4.120 -0.016 0.000 0.275 165 V C 0.071 176.180 176.094 0.026 0.000 1.043 165 V CA -0.255 62.062 62.300 0.027 0.000 0.925 165 V CB 1.408 33.243 31.823 0.020 0.000 0.985 165 V HN 0.775 8.965 8.190 -0.000 0.000 0.466 166 V N 4.450 124.370 119.914 0.009 0.000 2.417 166 V HA 0.970 5.080 4.120 -0.016 0.000 0.291 166 V C 0.546 176.640 176.094 -0.001 0.000 1.024 166 V CA 0.103 62.405 62.300 0.004 0.000 0.861 166 V CB 1.175 32.990 31.823 -0.014 0.000 0.985 166 V HN 1.054 9.244 8.190 -0.000 0.000 0.436 167 G N 2.790 111.592 108.800 0.003 0.000 2.619 167 G HA2 0.492 4.442 3.960 -0.016 0.000 0.305 167 G HA3 0.492 4.442 3.960 -0.016 0.000 0.305 167 G C -1.269 173.630 174.900 -0.001 0.000 1.330 167 G CA -0.638 44.461 45.100 -0.001 0.000 0.789 167 G HN 0.632 8.922 8.290 -0.000 0.000 0.487 168 E N -0.073 120.122 120.200 -0.007 0.000 2.384 168 E HA 0.436 4.777 4.350 -0.016 0.000 0.266 168 E C 0.021 176.611 176.600 -0.016 0.000 1.012 168 E CA 0.129 56.521 56.400 -0.014 0.000 0.901 168 E CB 0.445 30.132 29.700 -0.022 0.000 0.967 168 E HN 0.574 8.934 8.360 -0.000 0.000 0.435 169 T N 1.392 115.933 114.554 -0.021 0.000 2.906 169 T HA 0.348 4.688 4.350 -0.016 0.000 0.295 169 T C -2.144 172.502 174.700 -0.089 0.000 1.075 169 T CA -1.770 60.315 62.100 -0.025 0.000 1.005 169 T CB 1.508 70.388 68.868 0.021 0.000 1.136 169 T HN 0.196 8.436 8.240 -0.000 0.000 0.498 170 P HA 0.058 4.478 4.420 -0.000 0.000 0.216 170 P C -0.341 176.560 177.300 -0.665 0.000 1.153 170 P CA 1.152 63.986 63.100 -0.442 0.000 0.858 170 P CB -0.038 31.368 31.700 -0.491 0.000 0.789 171 F N -2.946 117.009 119.950 0.009 0.000 2.593 171 F HA 0.441 4.958 4.527 -0.016 0.000 0.320 171 F C 0.588 176.394 175.800 0.011 0.000 1.060 171 F CA -1.510 56.495 58.000 0.009 0.000 0.940 171 F CB 0.550 39.556 39.000 0.009 0.000 1.268 171 F HN -0.454 7.846 8.300 -0.000 0.000 0.475 172 Q N 0.947 120.871 119.800 0.207 0.000 2.262 172 Q HA 0.255 4.585 4.340 -0.016 0.000 0.298 172 Q C 0.631 176.694 176.000 0.106 0.000 1.083 172 Q CA 0.772 56.644 55.803 0.116 0.000 0.962 172 Q CB 0.909 29.702 28.738 0.091 0.000 1.104 172 Q HN 0.821 9.091 8.270 -0.000 0.000 0.376 173 G N 3.858 112.705 108.800 0.078 0.000 2.944 173 G HA2 0.235 4.186 3.960 -0.016 0.000 0.220 173 G HA3 0.235 4.186 3.960 -0.016 0.000 0.220 173 G C -0.014 174.919 174.900 0.055 0.000 1.100 173 G CA -0.162 44.979 45.100 0.070 0.000 0.780 173 G HN 0.565 8.855 8.290 -0.000 0.000 0.539 174 I N 1.665 122.262 120.570 0.045 0.000 2.410 174 I HA 0.446 4.606 4.170 -0.016 0.000 0.286 174 I C 0.794 176.931 176.117 0.033 0.000 1.009 174 I CA -1.000 60.321 61.300 0.035 0.000 1.111 174 I CB 1.962 39.974 38.000 0.019 0.000 1.262 174 I HN 0.026 8.236 8.210 -0.000 0.000 0.443 175 G N 6.068 114.889 108.800 0.035 0.000 2.634 175 G HA2 0.420 4.371 3.960 -0.016 0.000 0.255 175 G HA3 0.420 4.371 3.960 -0.016 0.000 0.255 175 G C -2.648 172.268 174.900 0.027 0.000 1.205 175 G CA -1.041 44.078 45.100 0.032 0.000 0.884 175 G HN 0.299 8.589 8.290 -0.000 0.000 0.549 176 P HA 0.155 4.575 4.420 -0.000 0.000 0.266 176 P C 0.159 177.474 177.300 0.024 0.000 1.195 176 P CA 0.102 63.218 63.100 0.025 0.000 0.768 176 P CB 0.478 32.195 31.700 0.028 0.000 0.838 177 T N 2.169 116.735 114.554 0.019 0.000 2.870 177 T HA 0.217 4.558 4.350 -0.016 0.000 0.300 177 T C 0.135 174.849 174.700 0.023 0.000 0.989 177 T CA -0.056 62.048 62.100 0.007 0.000 1.139 177 T CB 0.088 68.956 68.868 0.000 0.000 0.920 177 T HN 0.042 8.282 8.240 -0.000 0.000 0.537 178 V N 2.913 122.846 119.914 0.031 0.000 2.378 178 V HA 0.787 4.897 4.120 -0.016 0.000 0.288 178 V C 0.134 176.282 176.094 0.089 0.000 1.016 178 V CA -0.575 61.774 62.300 0.082 0.000 0.840 178 V CB 0.938 32.827 31.823 0.110 0.000 0.994 178 V HN 1.137 9.327 8.190 -0.000 0.000 0.431 179 A N 3.620 126.462 122.820 0.037 0.000 2.593 179 A HA 1.077 5.388 4.320 -0.016 0.000 0.290 179 A C -0.152 177.179 177.584 -0.421 0.000 1.126 179 A CA -0.092 51.802 52.037 -0.237 0.000 0.695 179 A CB 2.142 20.937 19.000 -0.342 0.000 1.290 179 A HN 1.549 9.699 8.150 -0.000 0.000 0.414 180 G N -1.138 107.080 108.800 -0.970 0.000 2.321 180 G HA2 0.705 4.656 3.960 -0.016 0.000 0.296 180 G HA3 0.705 4.656 3.960 -0.016 0.000 0.296 180 G C -0.826 173.756 174.900 -0.530 0.000 1.287 180 G CA 0.458 45.169 45.100 -0.648 0.000 0.846 180 G HN 1.945 10.235 8.290 -0.000 0.000 0.508 181 S N -1.190 114.476 115.700 -0.056 0.000 2.688 181 S HA 0.746 5.206 4.470 -0.016 0.000 0.275 181 S C -2.089 172.631 174.600 0.199 0.000 1.175 181 S CA -0.710 57.559 58.200 0.116 0.000 0.818 181 S CB 2.499 65.724 63.200 0.042 0.000 1.157 181 S HN 0.784 9.094 8.310 -0.000 0.000 0.482 182 D N -0.148 120.298 120.400 0.077 0.000 2.363 182 D HA 0.420 5.050 4.640 -0.016 0.000 0.258 182 D C 1.004 177.257 176.300 -0.077 0.000 1.259 182 D CA -0.290 53.711 54.000 0.002 0.000 0.921 182 D CB 0.570 41.339 40.800 -0.052 0.000 1.201 182 D HN 0.709 9.079 8.370 -0.000 0.000 0.524 183 G N 1.685 110.465 108.800 -0.033 0.000 2.498 183 G HA2 -0.205 3.745 3.960 -0.016 0.000 0.219 183 G HA3 -0.205 3.745 3.960 -0.016 0.000 0.219 183 G C 1.091 175.963 174.900 -0.046 0.000 1.119 183 G CA 0.336 45.411 45.100 -0.042 0.000 0.766 183 G HN 0.480 8.770 8.290 -0.000 0.000 0.552 184 E N -0.079 120.097 120.200 -0.040 0.000 2.347 184 E HA -0.045 4.295 4.350 -0.016 0.000 0.196 184 E C 1.428 177.996 176.600 -0.053 0.000 1.008 184 E CA 0.429 56.809 56.400 -0.033 0.000 0.852 184 E CB 0.075 29.766 29.700 -0.015 0.000 0.783 184 E HN 0.543 8.903 8.360 -0.000 0.000 0.505 185 Q N -0.508 119.236 119.800 -0.095 0.000 2.206 185 Q HA 0.286 4.617 4.340 -0.016 0.000 0.265 185 Q C 1.147 177.077 176.000 -0.116 0.000 0.866 185 Q CA -0.241 55.492 55.803 -0.116 0.000 1.073 185 Q CB 1.101 29.723 28.738 -0.192 0.000 1.165 185 Q HN 0.122 8.392 8.270 -0.000 0.000 0.465 186 A N 0.859 123.629 122.820 -0.083 0.000 2.019 186 A HA -0.193 4.117 4.320 -0.016 0.000 0.219 186 A C 1.425 178.980 177.584 -0.048 0.000 1.164 186 A CA 1.408 53.404 52.037 -0.068 0.000 0.644 186 A CB -0.022 18.948 19.000 -0.050 0.000 0.805 186 A HN 0.253 8.403 8.150 -0.000 0.000 0.449 187 D N -0.025 120.352 120.400 -0.038 0.000 2.348 187 D HA 0.075 4.705 4.640 -0.016 0.000 0.216 187 D C 2.014 178.312 176.300 -0.005 0.000 0.970 187 D CA 0.978 54.966 54.000 -0.020 0.000 0.889 187 D CB -0.191 40.601 40.800 -0.014 0.000 0.912 187 D HN 0.462 8.832 8.370 -0.000 0.000 0.524 188 A N 0.334 123.147 122.820 -0.012 0.000 1.933 188 A HA -0.046 4.264 4.320 -0.016 0.000 0.218 188 A C 1.162 178.783 177.584 0.062 0.000 1.175 188 A CA 0.756 52.806 52.037 0.021 0.000 0.628 188 A CB -0.028 18.971 19.000 -0.001 0.000 0.814 188 A HN 0.217 8.367 8.150 -0.000 0.000 0.444 189 I N -0.065 120.533 120.570 0.047 0.000 2.468 189 I HA 0.416 4.576 4.170 -0.016 0.000 0.284 189 I C -0.432 175.698 176.117 0.021 0.000 1.038 189 I CA -0.595 60.752 61.300 0.078 0.000 1.083 189 I CB 1.662 39.735 38.000 0.123 0.000 1.223 189 I HN 0.442 8.652 8.210 -0.000 0.000 0.443 190 R N 4.288 124.793 120.500 0.008 0.000 2.663 190 R HA 0.436 4.766 4.340 -0.016 0.000 0.267 190 R C -1.477 174.788 176.300 -0.057 0.000 1.038 190 R CA -0.987 55.094 56.100 -0.032 0.000 0.886 190 R CB 1.739 32.020 30.300 -0.031 0.000 1.249 190 R HN 0.529 8.799 8.270 -0.000 0.000 0.463 191 Q N 1.492 121.229 119.800 -0.105 0.000 2.296 191 Q HA 0.033 4.363 4.340 -0.016 0.000 0.262 191 Q C -0.038 175.859 176.000 -0.171 0.000 0.981 191 Q CA -0.070 55.626 55.803 -0.178 0.000 0.905 191 Q CB 1.125 29.690 28.738 -0.288 0.000 1.186 191 Q HN 0.745 9.015 8.270 -0.000 0.000 0.399 192 D N 4.207 124.515 120.400 -0.153 0.000 2.194 192 D HA -0.050 4.581 4.640 -0.016 0.000 0.204 192 D C 0.264 176.483 176.300 -0.135 0.000 0.964 192 D CA 0.949 54.886 54.000 -0.105 0.000 0.846 192 D CB 0.149 40.922 40.800 -0.045 0.000 0.962 192 D HN 0.456 8.826 8.370 -0.000 0.000 0.490 193 I N 1.412 121.846 120.570 -0.226 0.000 2.436 193 I HA 0.196 4.356 4.170 -0.016 0.000 0.289 193 I C -0.683 175.250 176.117 -0.307 0.000 1.010 193 I CA -1.295 59.882 61.300 -0.205 0.000 1.098 193 I CB 1.932 39.822 38.000 -0.183 0.000 1.266 193 I HN -0.094 8.116 8.210 -0.000 0.000 0.434 194 D N 3.189 123.479 120.400 -0.183 0.000 2.362 194 D HA 0.020 4.650 4.640 -0.016 0.000 0.242 194 D C 0.535 176.795 176.300 -0.067 0.000 1.132 194 D CA -0.304 53.587 54.000 -0.181 0.000 0.907 194 D CB 0.815 41.582 40.800 -0.054 0.000 1.195 194 D HN 0.480 8.850 8.370 -0.000 0.000 0.429 195 W N 0.731 122.067 121.300 0.059 0.000 2.374 195 W HA -0.091 4.558 4.660 -0.018 0.000 0.288 195 W C 1.643 178.240 176.519 0.130 0.000 1.218 195 W CA -0.451 56.966 57.345 0.120 0.000 1.245 195 W CB -0.082 29.428 29.460 0.083 0.000 1.126 195 W HN 0.410 8.590 8.180 -0.000 0.000 0.545 196 I N -0.212 120.525 120.570 0.278 0.000 2.277 196 I HA -0.189 3.971 4.170 -0.016 0.000 0.243 196 I C 2.239 178.425 176.117 0.116 0.000 1.094 196 I CA 1.449 62.845 61.300 0.160 0.000 1.393 196 I CB -1.703 36.359 38.000 0.103 0.000 1.078 196 I HN -0.103 8.107 8.210 -0.000 0.000 0.417 197 T N 1.566 116.184 114.554 0.108 0.000 2.699 197 T HA -0.241 4.099 4.350 -0.016 0.000 0.268 197 T C 1.754 176.530 174.700 0.127 0.000 1.036 197 T CA 1.682 63.833 62.100 0.085 0.000 1.147 197 T CB -0.500 68.404 68.868 0.060 0.000 0.862 197 T HN 0.239 8.479 8.240 -0.000 0.000 0.446 198 F N 2.199 122.165 119.950 0.028 0.000 2.102 198 F HA 0.060 4.577 4.527 -0.017 0.000 0.298 198 F C 2.424 178.262 175.800 0.063 0.000 1.105 198 F CA 0.845 58.871 58.000 0.043 0.000 1.239 198 F CB -0.884 38.161 39.000 0.075 0.000 0.991 198 F HN 0.141 8.441 8.300 -0.000 0.000 0.474 199 A N -0.219 122.546 122.820 -0.091 0.000 2.019 199 A HA -0.212 4.099 4.320 -0.016 0.000 0.219 199 A C 2.043 179.513 177.584 -0.189 0.000 1.164 199 A CA 1.724 53.631 52.037 -0.217 0.000 0.644 199 A CB -0.756 18.222 19.000 -0.037 0.000 0.805 199 A HN 0.648 8.798 8.150 -0.000 0.000 0.449 200 Q N -1.408 118.330 119.800 -0.103 0.000 2.403 200 Q HA 0.108 4.439 4.340 -0.016 0.000 0.203 200 Q C 1.225 177.175 176.000 -0.084 0.000 0.932 200 Q CA 0.566 56.325 55.803 -0.074 0.000 0.945 200 Q CB 0.121 28.843 28.738 -0.026 0.000 1.045 200 Q HN 0.845 9.115 8.270 -0.000 0.000 0.511 201 N N -0.121 118.503 118.700 -0.127 0.000 2.778 201 N HA 0.087 4.818 4.740 -0.016 0.000 0.213 201 N C -0.891 174.518 175.510 -0.168 0.000 1.647 201 N CA -0.229 52.764 53.050 -0.094 0.000 1.354 201 N CB 0.959 39.439 38.487 -0.011 0.000 0.851 201 N HN -0.030 8.350 8.380 -0.000 0.000 0.840 202 R N 0.694 121.119 120.500 -0.125 0.000 2.837 202 R HA 0.650 4.980 4.340 -0.016 0.000 0.271 202 R C -3.041 172.790 176.300 -0.781 0.000 0.993 202 R CA -1.476 54.215 56.100 -0.682 0.000 0.931 202 R CB 1.392 31.275 30.300 -0.696 0.000 1.206 202 R HN 0.084 8.354 8.270 -0.000 0.000 0.474 203 P HA 0.259 4.679 4.420 -0.000 0.000 0.275 203 P C -1.335 175.416 177.300 -0.915 0.000 1.228 203 P CA -0.167 62.436 63.100 -0.830 0.000 0.786 203 P CB 0.350 31.395 31.700 -1.092 0.000 0.927 204 F N -0.291 119.499 119.950 -0.266 0.000 2.626 204 F HA 0.354 4.871 4.527 -0.016 0.000 0.311 204 F C -0.073 175.642 175.800 -0.142 0.000 1.088 204 F CA -1.168 56.732 58.000 -0.166 0.000 0.949 204 F CB 1.285 40.230 39.000 -0.092 0.000 1.322 204 F HN -0.010 8.290 8.300 -0.000 0.000 0.461 205 V N 4.047 124.034 119.914 0.121 0.000 2.572 205 V HA 0.425 4.535 4.120 -0.016 0.000 0.291 205 V C -0.524 175.630 176.094 0.100 0.000 1.039 205 V CA -0.153 62.165 62.300 0.030 0.000 1.055 205 V CB 0.311 32.074 31.823 -0.100 0.000 0.969 205 V HN 0.554 8.744 8.190 -0.000 0.000 0.482 206 R N 5.495 126.042 120.500 0.079 0.000 2.670 206 R HA 0.629 4.960 4.340 -0.016 0.000 0.289 206 R C -1.268 175.116 176.300 0.139 0.000 0.965 206 R CA -0.810 55.350 56.100 0.101 0.000 0.899 206 R CB 1.753 32.089 30.300 0.060 0.000 1.173 206 R HN 0.655 8.925 8.270 -0.000 0.000 0.456 207 L N 1.502 122.819 121.223 0.156 0.000 2.406 207 L HA 0.400 4.731 4.340 -0.016 0.000 0.272 207 L C -0.620 176.324 176.870 0.124 0.000 0.980 207 L CA -0.221 54.724 54.840 0.175 0.000 0.831 207 L CB 1.834 44.028 42.059 0.224 0.000 1.253 207 L HN 0.390 8.620 8.230 -0.000 0.000 0.406 208 E N 4.335 124.606 120.200 0.118 0.000 1.924 208 E HA 0.255 4.596 4.350 -0.016 0.000 0.261 208 E C 0.979 177.663 176.600 0.141 0.000 1.088 208 E CA 0.258 56.722 56.400 0.107 0.000 0.909 208 E CB 1.105 30.854 29.700 0.081 0.000 1.112 208 E HN 0.918 9.278 8.360 -0.000 0.000 0.425 209 G N 3.841 112.731 108.800 0.150 0.000 2.514 209 G HA2 -0.234 3.716 3.960 -0.016 0.000 0.217 209 G HA3 -0.234 3.716 3.960 -0.016 0.000 0.217 209 G C -0.829 174.215 174.900 0.240 0.000 1.198 209 G CA 0.475 45.691 45.100 0.194 0.000 0.780 209 G HN 0.384 8.674 8.290 -0.000 0.000 0.565 210 P HA -0.067 4.353 4.420 -0.000 0.000 0.216 210 P C 2.206 179.626 177.300 0.201 0.000 1.153 210 P CA 2.016 65.209 63.100 0.155 0.000 0.858 210 P CB -0.182 31.561 31.700 0.072 0.000 0.789 211 A N -0.662 122.258 122.820 0.168 0.000 1.883 211 A HA -0.179 4.131 4.320 -0.016 0.000 0.217 211 A C 2.321 180.060 177.584 0.258 0.000 1.186 211 A CA 2.080 54.215 52.037 0.164 0.000 0.624 211 A CB -1.709 17.353 19.000 0.103 0.000 0.822 211 A HN 0.050 8.200 8.150 -0.000 0.000 0.444 212 V N -1.455 118.633 119.914 0.290 0.000 2.358 212 V HA -0.212 3.898 4.120 -0.016 0.000 0.246 212 V C 2.246 178.613 176.094 0.455 0.000 1.047 212 V CA 1.906 64.447 62.300 0.402 0.000 1.035 212 V CB -1.007 31.034 31.823 0.363 0.000 0.658 212 V HN 0.606 8.796 8.190 -0.000 0.000 0.452 213 F N 0.744 120.836 119.950 0.237 0.000 2.069 213 F HA -0.223 4.294 4.527 -0.017 0.000 0.298 213 F C 2.829 178.742 175.800 0.187 0.000 1.113 213 F CA 1.810 59.919 58.000 0.182 0.000 1.214 213 F CB -0.130 38.950 39.000 0.133 0.000 0.978 213 F HN -0.081 8.219 8.300 -0.000 0.000 0.474 214 R N -0.418 120.405 120.500 0.538 0.000 2.080 214 R HA -0.263 4.068 4.340 -0.016 0.000 0.236 214 R C 1.998 178.512 176.300 0.356 0.000 1.137 214 R CA 2.178 58.516 56.100 0.396 0.000 0.943 214 R CB -1.520 28.875 30.300 0.157 0.000 0.846 214 R HN 0.560 8.830 8.270 -0.000 0.000 0.431 215 W N 1.071 122.451 121.300 0.133 0.000 2.332 215 W HA -0.228 4.426 4.660 -0.011 0.000 0.321 215 W C 2.253 178.807 176.519 0.058 0.000 1.219 215 W CA 2.271 59.671 57.345 0.091 0.000 1.277 215 W CB -0.656 28.860 29.460 0.092 0.000 1.161 215 W HN 0.141 8.321 8.180 -0.000 0.000 0.476 216 A N 0.800 123.524 122.820 -0.161 0.000 1.877 216 A HA -0.063 4.248 4.320 -0.016 0.000 0.216 216 A C 2.134 179.394 177.584 -0.541 0.000 1.186 216 A CA 2.845 54.452 52.037 -0.716 0.000 0.620 216 A CB -1.643 16.913 19.000 -0.740 0.000 0.822 216 A HN 0.529 8.679 8.150 -0.000 0.000 0.443 217 A N -1.745 120.928 122.820 -0.245 0.000 1.972 217 A HA 0.022 4.333 4.320 -0.016 0.000 0.219 217 A C 1.874 179.355 177.584 -0.172 0.000 1.169 217 A CA 1.550 53.481 52.037 -0.177 0.000 0.635 217 A CB -0.601 18.420 19.000 0.034 0.000 0.810 217 A HN 0.476 8.626 8.150 -0.000 0.000 0.446 218 F N -0.790 119.052 119.950 -0.180 0.000 2.530 218 F HA 0.136 4.653 4.527 -0.016 0.000 0.292 218 F C 2.080 177.746 175.800 -0.223 0.000 1.109 218 F CA 0.987 58.901 58.000 -0.144 0.000 1.450 218 F CB 0.410 39.376 39.000 -0.057 0.000 1.114 218 F HN 0.011 8.311 8.300 -0.000 0.000 0.560 219 K N -1.028 119.240 120.400 -0.220 0.000 2.370 219 K HA 0.206 4.516 4.320 -0.016 0.000 0.194 219 K C 1.715 178.038 176.600 -0.463 0.000 1.070 219 K CA 0.388 56.464 56.287 -0.352 0.000 0.998 219 K CB 0.031 32.227 32.500 -0.507 0.000 0.911 219 K HN 0.176 8.426 8.250 -0.000 0.000 0.533 220 M N 0.311 119.599 119.600 -0.520 0.000 2.419 220 M HA 0.041 4.512 4.480 -0.016 0.000 0.264 220 M C 1.988 178.118 176.300 -0.283 0.000 1.082 220 M CA 0.875 55.901 55.300 -0.457 0.000 1.119 220 M CB -1.193 31.107 32.600 -0.500 0.000 1.398 220 M HN 0.132 8.422 8.290 -0.000 0.000 0.453 221 G N 0.346 108.992 108.800 -0.256 0.000 2.421 221 G HA2 -0.230 3.720 3.960 -0.016 0.000 0.216 221 G HA3 -0.230 3.720 3.960 -0.016 0.000 0.216 221 G C 1.421 176.215 174.900 -0.177 0.000 1.171 221 G CA 0.786 45.762 45.100 -0.208 0.000 0.775 221 G HN 0.370 8.660 8.290 -0.000 0.000 0.543 222 D N 0.024 120.319 120.400 -0.175 0.000 2.144 222 D HA -0.083 4.548 4.640 -0.016 0.000 0.199 222 D C 2.793 179.011 176.300 -0.137 0.000 0.984 222 D CA 0.779 54.698 54.000 -0.136 0.000 0.834 222 D CB 0.049 40.777 40.800 -0.120 0.000 0.955 222 D HN 0.174 8.544 8.370 -0.000 0.000 0.465 223 V N 0.954 120.742 119.914 -0.209 0.000 2.295 223 V HA -0.205 3.906 4.120 -0.016 0.000 0.246 223 V C 2.616 178.663 176.094 -0.078 0.000 1.049 223 V CA 2.016 64.206 62.300 -0.183 0.000 1.024 223 V CB -0.979 30.627 31.823 -0.362 0.000 0.648 223 V HN 0.229 8.419 8.190 -0.000 0.000 0.447 224 G N -0.391 108.355 108.800 -0.090 0.000 2.446 224 G HA2 -0.281 3.670 3.960 -0.016 0.000 0.217 224 G HA3 -0.281 3.670 3.960 -0.016 0.000 0.217 224 G C 1.753 176.614 174.900 -0.066 0.000 1.168 224 G CA 0.911 45.973 45.100 -0.063 0.000 0.771 224 G HN 0.421 8.711 8.290 -0.000 0.000 0.551 225 R N -0.126 120.323 120.500 -0.085 0.000 2.096 225 R HA -0.005 4.326 4.340 -0.016 0.000 0.235 225 R C 2.863 179.142 176.300 -0.036 0.000 1.127 225 R CA 1.208 57.268 56.100 -0.067 0.000 0.968 225 R CB -0.229 30.028 30.300 -0.072 0.000 0.861 225 R HN 0.294 8.564 8.270 -0.000 0.000 0.440 226 R N -0.032 120.452 120.500 -0.025 0.000 2.081 226 R HA -0.066 4.265 4.340 -0.016 0.000 0.235 226 R C 2.302 178.611 176.300 0.015 0.000 1.131 226 R CA 1.379 57.481 56.100 0.002 0.000 0.960 226 R CB -0.285 30.027 30.300 0.021 0.000 0.856 226 R HN 0.197 8.467 8.270 -0.000 0.000 0.436 227 A N 0.872 123.703 122.820 0.017 0.000 1.898 227 A HA -0.146 4.164 4.320 -0.016 0.000 0.216 227 A C 2.152 179.747 177.584 0.018 0.000 1.181 227 A CA 1.276 53.330 52.037 0.029 0.000 0.620 227 A CB -0.364 18.663 19.000 0.045 0.000 0.819 227 A HN 0.173 8.323 8.150 -0.000 0.000 0.442 228 M N -0.738 118.862 119.600 0.001 0.000 2.132 228 M HA -0.140 4.330 4.480 -0.016 0.000 0.263 228 M C 2.059 178.357 176.300 -0.004 0.000 1.065 228 M CA 1.844 57.140 55.300 -0.006 0.000 1.122 228 M CB -0.557 32.027 32.600 -0.027 0.000 1.365 228 M HN 0.547 8.837 8.290 -0.000 0.000 0.411 229 D N 0.668 121.064 120.400 -0.006 0.000 2.104 229 D HA -0.173 4.457 4.640 -0.016 0.000 0.194 229 D C 1.860 178.164 176.300 0.006 0.000 0.994 229 D CA 1.826 55.825 54.000 -0.003 0.000 0.830 229 D CB 0.207 41.005 40.800 -0.003 0.000 0.959 229 D HN 0.329 8.699 8.370 -0.000 0.000 0.452 230 A N 0.790 123.618 122.820 0.013 0.000 1.972 230 A HA 0.014 4.325 4.320 -0.016 0.000 0.219 230 A C 2.264 179.860 177.584 0.019 0.000 1.169 230 A CA 1.943 53.992 52.037 0.019 0.000 0.635 230 A CB -0.519 18.496 19.000 0.026 0.000 0.810 230 A HN 0.351 8.501 8.150 -0.000 0.000 0.446 231 A N -1.725 121.106 122.820 0.018 0.000 2.208 231 A HA 0.411 4.722 4.320 -0.016 0.000 0.209 231 A C 1.736 179.328 177.584 0.013 0.000 1.161 231 A CA 1.145 53.193 52.037 0.019 0.000 0.782 231 A CB -0.924 18.090 19.000 0.022 0.000 0.816 231 A HN 1.895 10.045 8.150 -0.000 0.000 0.477 232 G N -0.666 108.138 108.800 0.008 0.000 2.198 232 G HA2 -0.070 3.881 3.960 -0.016 0.000 0.257 232 G HA3 -0.070 3.881 3.960 -0.016 0.000 0.257 232 G C 0.190 175.088 174.900 -0.003 0.000 1.042 232 G CA 0.617 45.719 45.100 0.003 0.000 0.791 232 G HN 1.795 10.085 8.290 -0.000 0.000 0.502 233 V N -3.545 116.366 119.914 -0.005 0.000 2.769 233 V HA 0.880 4.990 4.120 -0.016 0.000 0.312 233 V C 0.377 176.461 176.094 -0.018 0.000 1.061 233 V CA -1.845 60.449 62.300 -0.010 0.000 0.931 233 V CB 1.630 33.450 31.823 -0.006 0.000 1.010 233 V HN 0.369 8.559 8.190 -0.000 0.000 0.433 234 R N 3.139 123.625 120.500 -0.023 0.000 2.459 234 R HA 0.392 4.723 4.340 -0.016 0.000 0.281 234 R C -1.828 174.448 176.300 -0.039 0.000 1.050 234 R CA -1.561 54.521 56.100 -0.030 0.000 1.055 234 R CB 1.005 31.288 30.300 -0.029 0.000 1.045 234 R HN 0.507 8.777 8.270 -0.000 0.000 0.495 235 P HA -0.233 4.187 4.420 -0.000 0.000 0.217 235 P C 0.482 177.745 177.300 -0.062 0.000 1.151 235 P CA 1.466 64.523 63.100 -0.072 0.000 0.849 235 P CB 0.086 31.734 31.700 -0.086 0.000 0.787 236 D N -1.136 119.234 120.400 -0.049 0.000 2.363 236 D HA -0.134 4.496 4.640 -0.016 0.000 0.226 236 D C 1.423 177.705 176.300 -0.030 0.000 1.020 236 D CA 0.764 54.740 54.000 -0.040 0.000 0.892 236 D CB -0.774 40.005 40.800 -0.036 0.000 0.900 236 D HN 0.283 8.653 8.370 -0.000 0.000 0.531 237 Q N -0.441 119.342 119.800 -0.028 0.000 2.384 237 Q HA 0.150 4.481 4.340 -0.016 0.000 0.207 237 Q C 0.315 176.308 176.000 -0.012 0.000 0.904 237 Q CA -0.256 55.535 55.803 -0.020 0.000 0.933 237 Q CB 0.884 29.611 28.738 -0.019 0.000 1.077 237 Q HN 0.263 8.533 8.270 -0.000 0.000 0.522 238 I N 2.311 122.872 120.570 -0.015 0.000 2.598 238 I HA -0.087 4.074 4.170 -0.016 0.000 0.284 238 I C 0.645 176.769 176.117 0.011 0.000 1.140 238 I CA 0.665 61.966 61.300 0.001 0.000 1.420 238 I CB 0.616 38.610 38.000 -0.011 0.000 1.387 238 I HN 0.139 8.349 8.210 -0.000 0.000 0.553 239 D N 5.063 125.478 120.400 0.026 0.000 2.277 239 D HA 0.069 4.699 4.640 -0.016 0.000 0.209 239 D C 0.275 176.604 176.300 0.048 0.000 0.970 239 D CA 0.994 55.011 54.000 0.028 0.000 0.874 239 D CB 0.889 41.703 40.800 0.023 0.000 0.982 239 D HN 0.220 8.590 8.370 -0.000 0.000 0.504 240 V N 1.096 121.053 119.914 0.073 0.000 2.686 240 V HA 0.298 4.408 4.120 -0.016 0.000 0.306 240 V C -1.149 175.056 176.094 0.184 0.000 1.065 240 V CA -0.997 61.362 62.300 0.099 0.000 0.894 240 V CB 2.806 34.670 31.823 0.068 0.000 1.004 240 V HN -0.020 8.170 8.190 -0.000 0.000 0.424 241 F N 5.072 125.023 119.950 0.002 0.000 2.426 241 F HA 0.690 5.207 4.527 -0.017 0.000 0.348 241 F C -0.366 175.441 175.800 0.011 0.000 1.124 241 F CA -0.666 57.337 58.000 0.004 0.000 1.008 241 F CB 1.494 40.490 39.000 -0.007 0.000 1.139 241 F HN 0.288 8.588 8.300 -0.000 0.000 0.452 242 V N 7.640 127.433 119.914 -0.201 0.000 2.260 242 V HA 0.271 4.381 4.120 -0.016 0.000 0.263 242 V C -2.268 173.584 176.094 -0.403 0.000 1.036 242 V CA -1.526 60.592 62.300 -0.302 0.000 0.874 242 V CB 0.179 31.947 31.823 -0.092 0.000 1.116 242 V HN 0.561 8.751 8.190 -0.000 0.000 0.454 243 P HA 0.150 4.570 4.420 -0.000 0.000 0.276 243 P C -0.174 177.031 177.300 -0.158 0.000 1.244 243 P CA -0.263 62.618 63.100 -0.365 0.000 0.801 243 P CB 0.683 32.110 31.700 -0.454 0.000 1.006 244 H N 2.121 121.091 119.070 -0.166 0.000 3.140 244 H HA -0.067 4.481 4.556 -0.014 0.000 0.316 244 H C 0.308 175.488 175.328 -0.248 0.000 0.986 244 H CA 0.857 56.734 56.048 -0.285 0.000 1.397 244 H CB 0.115 29.544 29.762 -0.556 0.000 1.377 244 H HN 0.163 8.443 8.280 -0.000 0.000 0.585 245 Q N 4.949 124.398 119.800 -0.586 0.000 3.184 245 Q HA 0.181 4.511 4.340 -0.016 0.000 0.288 245 Q C 0.793 176.414 176.000 -0.632 0.000 1.412 245 Q CA 0.469 55.998 55.803 -0.458 0.000 0.991 245 Q CB 0.314 28.922 28.738 -0.217 0.000 1.688 245 Q HN 0.774 9.044 8.270 -0.000 0.000 0.554 246 A N 1.643 124.043 122.820 -0.699 0.000 1.903 246 A HA 0.017 4.328 4.320 -0.016 0.000 0.213 246 A C 0.883 178.377 177.584 -0.149 0.000 1.185 246 A CA 0.686 52.479 52.037 -0.408 0.000 0.628 246 A CB 0.461 19.366 19.000 -0.158 0.000 0.830 246 A HN 0.520 8.670 8.150 -0.000 0.000 0.446 247 N N -1.458 117.175 118.700 -0.112 0.000 2.666 247 N HA 0.014 4.745 4.740 -0.016 0.000 0.260 247 N C 0.432 175.885 175.510 -0.096 0.000 1.077 247 N CA 0.622 53.629 53.050 -0.071 0.000 1.026 247 N CB 1.175 39.635 38.487 -0.046 0.000 1.653 247 N HN 0.088 8.468 8.380 -0.000 0.000 0.533 248 S N 3.301 118.950 115.700 -0.085 0.000 2.399 248 S HA -0.095 4.366 4.470 -0.016 0.000 0.231 248 S C 1.509 176.058 174.600 -0.085 0.000 1.022 248 S CA 0.727 58.872 58.200 -0.092 0.000 0.983 248 S CB -0.053 63.082 63.200 -0.109 0.000 0.803 248 S HN 0.664 8.974 8.310 -0.000 0.000 0.480 249 R N 0.730 121.193 120.500 -0.061 0.000 2.092 249 R HA 0.181 4.512 4.340 -0.016 0.000 0.231 249 R C 2.322 178.567 176.300 -0.091 0.000 1.119 249 R CA 1.422 57.525 56.100 0.005 0.000 0.970 249 R CB -0.596 29.814 30.300 0.183 0.000 0.864 249 R HN 0.460 8.730 8.270 -0.000 0.000 0.440 250 I N 1.543 121.892 120.570 -0.368 0.000 2.163 250 I HA -0.304 3.856 4.170 -0.016 0.000 0.243 250 I C 1.672 177.651 176.117 -0.231 0.000 1.085 250 I CA 1.252 62.224 61.300 -0.548 0.000 1.347 250 I CB -0.417 37.212 38.000 -0.619 0.000 1.044 250 I HN 0.171 8.381 8.210 -0.000 0.000 0.408 251 N N 0.763 119.391 118.700 -0.120 0.000 2.188 251 N HA -0.166 4.564 4.740 -0.016 0.000 0.184 251 N C 1.725 177.255 175.510 0.034 0.000 1.018 251 N CA 1.171 54.211 53.050 -0.017 0.000 0.858 251 N CB -0.275 38.181 38.487 -0.051 0.000 0.989 251 N HN 0.450 8.830 8.380 -0.000 0.000 0.426 252 E N 0.615 120.806 120.200 -0.015 0.000 2.110 252 E HA -0.065 4.276 4.350 -0.016 0.000 0.193 252 E C 1.974 178.564 176.600 -0.016 0.000 0.988 252 E CA 0.589 56.987 56.400 -0.004 0.000 0.804 252 E CB -0.073 29.613 29.700 -0.023 0.000 0.745 252 E HN 0.283 8.643 8.360 -0.000 0.000 0.458 253 L N 0.543 121.741 121.223 -0.042 0.000 2.093 253 L HA -0.183 4.147 4.340 -0.016 0.000 0.208 253 L C 2.363 179.175 176.870 -0.098 0.000 1.085 253 L CA 0.760 55.558 54.840 -0.070 0.000 0.755 253 L CB -0.294 41.723 42.059 -0.069 0.000 0.904 253 L HN 0.190 8.420 8.230 -0.000 0.000 0.435 254 L N -1.087 120.092 121.223 -0.073 0.000 2.046 254 L HA -0.194 4.137 4.340 -0.016 0.000 0.208 254 L C 2.561 179.371 176.870 -0.099 0.000 1.077 254 L CA 0.844 55.644 54.840 -0.068 0.000 0.747 254 L CB -0.569 41.531 42.059 0.069 0.000 0.896 254 L HN 0.067 8.297 8.230 -0.000 0.000 0.432 255 V N 0.118 120.032 119.914 -0.000 0.000 2.287 255 V HA -0.325 3.785 4.120 -0.016 0.000 0.248 255 V C 2.382 178.409 176.094 -0.112 0.000 1.053 255 V CA 1.925 64.184 62.300 -0.067 0.000 1.027 255 V CB -0.528 31.325 31.823 0.050 0.000 0.646 255 V HN 0.406 8.596 8.190 -0.000 0.000 0.447 256 K N 0.017 120.366 120.400 -0.085 0.000 2.362 256 K HA -0.094 4.216 4.320 -0.016 0.000 0.200 256 K C 2.000 178.529 176.600 -0.118 0.000 1.046 256 K CA 0.964 57.196 56.287 -0.091 0.000 0.952 256 K CB -0.198 32.257 32.500 -0.076 0.000 0.753 256 K HN 0.469 8.719 8.250 -0.000 0.000 0.466 257 N N 0.278 118.890 118.700 -0.147 0.000 2.405 257 N HA -0.008 4.723 4.740 -0.016 0.000 0.175 257 N C 1.204 176.611 175.510 -0.172 0.000 1.051 257 N CA 0.360 53.312 53.050 -0.163 0.000 0.899 257 N CB 0.359 38.731 38.487 -0.191 0.000 1.000 257 N HN 0.141 8.521 8.380 -0.000 0.000 0.451 258 L N 0.893 121.990 121.223 -0.210 0.000 2.558 258 L HA 0.138 4.469 4.340 -0.016 0.000 0.225 258 L C 0.188 176.942 176.870 -0.194 0.000 1.128 258 L CA 0.275 54.967 54.840 -0.246 0.000 0.868 258 L CB 0.001 41.813 42.059 -0.411 0.000 1.006 258 L HN 0.132 8.362 8.230 -0.000 0.000 0.454 259 Q N 0.103 119.811 119.800 -0.153 0.000 2.468 259 Q HA -0.200 4.131 4.340 -0.016 0.000 0.289 259 Q C -0.357 175.575 176.000 -0.113 0.000 1.299 259 Q CA 0.280 56.014 55.803 -0.115 0.000 0.838 259 Q CB -2.096 26.584 28.738 -0.096 0.000 1.195 259 Q HN 0.454 8.724 8.270 -0.000 0.000 0.456 260 L N 0.191 121.335 121.223 -0.132 0.000 2.466 260 L HA 0.319 4.650 4.340 -0.016 0.000 0.257 260 L C 1.199 178.027 176.870 -0.070 0.000 1.189 260 L CA -0.624 54.149 54.840 -0.111 0.000 0.813 260 L CB 0.301 42.278 42.059 -0.136 0.000 1.118 260 L HN 0.139 8.369 8.230 -0.000 0.000 0.471 261 R N 1.167 121.636 120.500 -0.051 0.000 2.640 261 R HA 0.020 4.350 4.340 -0.016 0.000 0.270 261 R C -1.765 174.518 176.300 -0.028 0.000 1.024 261 R CA -1.261 54.818 56.100 -0.035 0.000 1.085 261 R CB -0.235 30.051 30.300 -0.024 0.000 0.963 261 R HN 0.343 8.613 8.270 -0.000 0.000 0.426 262 P HA -0.115 4.305 4.420 -0.000 0.000 0.303 262 P C -0.745 176.549 177.300 -0.011 0.000 1.438 262 P CA 1.016 64.105 63.100 -0.019 0.000 0.737 262 P CB -0.204 31.485 31.700 -0.018 0.000 1.402 263 A N -2.979 119.844 122.820 0.006 0.000 2.435 263 A HA -0.117 4.193 4.320 -0.016 0.000 0.686 263 A C -0.083 177.524 177.584 0.040 0.000 0.138 263 A CA -0.513 51.537 52.037 0.022 0.000 0.024 263 A CB -1.404 17.606 19.000 0.016 0.000 3.974 263 A HN -0.011 8.139 8.150 -0.000 0.000 0.548 264 V N 3.535 123.478 119.914 0.047 0.000 2.488 264 V HA 0.455 4.565 4.120 -0.016 0.000 0.277 264 V C 0.595 176.734 176.094 0.075 0.000 1.046 264 V CA -0.029 62.299 62.300 0.046 0.000 0.986 264 V CB 1.334 33.175 31.823 0.031 0.000 0.989 264 V HN 1.121 9.311 8.190 -0.000 0.000 0.475 265 V N 4.421 124.370 119.914 0.059 0.000 2.448 265 V HA 0.629 4.739 4.120 -0.016 0.000 0.295 265 V C 0.531 176.612 176.094 -0.023 0.000 1.025 265 V CA -0.877 61.459 62.300 0.060 0.000 0.859 265 V CB 1.652 33.539 31.823 0.106 0.000 0.988 265 V HN 0.987 9.177 8.190 -0.000 0.000 0.431 266 A N 3.344 126.112 122.820 -0.087 0.000 2.520 266 A HA 0.303 4.614 4.320 -0.016 0.000 0.245 266 A C 0.611 178.130 177.584 -0.107 0.000 1.072 266 A CA 0.353 52.327 52.037 -0.104 0.000 0.761 266 A CB -0.363 18.551 19.000 -0.144 0.000 1.004 266 A HN 0.965 9.115 8.150 -0.000 0.000 0.499 267 N N 0.930 119.576 118.700 -0.091 0.000 2.377 267 N HA 0.055 4.785 4.740 -0.016 0.000 0.259 267 N C 0.481 175.919 175.510 -0.119 0.000 1.332 267 N CA 0.086 53.079 53.050 -0.094 0.000 0.877 267 N CB 0.393 38.836 38.487 -0.074 0.000 1.299 267 N HN 0.633 9.013 8.380 -0.000 0.000 0.501 268 D N 0.330 120.670 120.400 -0.100 0.000 2.228 268 D HA -0.144 4.487 4.640 -0.016 0.000 0.203 268 D C 1.697 177.984 176.300 -0.022 0.000 0.988 268 D CA 0.760 54.721 54.000 -0.065 0.000 0.864 268 D CB -0.020 40.792 40.800 0.019 0.000 0.928 268 D HN 0.533 8.903 8.370 -0.000 0.000 0.469 269 I N 0.337 120.882 120.570 -0.042 0.000 2.315 269 I HA -0.299 3.861 4.170 -0.016 0.000 0.251 269 I C 2.113 178.245 176.117 0.025 0.000 1.125 269 I CA 1.396 62.690 61.300 -0.011 0.000 1.392 269 I CB -0.105 37.864 38.000 -0.051 0.000 1.065 269 I HN 0.142 8.352 8.210 -0.000 0.000 0.424 270 E N 0.219 120.406 120.200 -0.023 0.000 2.118 270 E HA -0.303 4.038 4.350 -0.016 0.000 0.195 270 E C 1.610 178.241 176.600 0.052 0.000 0.992 270 E CA 1.850 58.255 56.400 0.008 0.000 0.804 270 E CB -0.106 29.569 29.700 -0.042 0.000 0.741 270 E HN 0.829 9.189 8.360 -0.000 0.000 0.458 271 H N -3.943 115.130 119.070 0.003 0.000 2.893 271 H HA 0.327 4.873 4.556 -0.016 0.000 0.270 271 H C 0.853 176.179 175.328 -0.003 0.000 1.095 271 H CA 0.181 56.223 56.048 -0.010 0.000 1.186 271 H CB 0.838 30.586 29.762 -0.024 0.000 1.562 271 H HN -0.056 8.224 8.280 -0.000 0.000 0.536 272 T N -0.151 114.571 114.554 0.280 0.000 2.955 272 T HA 0.311 4.652 4.350 -0.016 0.000 0.251 272 T C 1.255 176.030 174.700 0.124 0.000 1.002 272 T CA 0.489 62.682 62.100 0.156 0.000 0.970 272 T CB 0.756 69.719 68.868 0.159 0.000 1.091 272 T HN 0.732 8.972 8.240 -0.000 0.000 0.495 273 G N 2.599 111.466 108.800 0.111 0.000 2.601 273 G HA2 -0.262 3.688 3.960 -0.016 0.000 0.261 273 G HA3 -0.262 3.688 3.960 -0.016 0.000 0.261 273 G C -0.295 174.646 174.900 0.069 0.000 1.289 273 G CA -0.173 44.985 45.100 0.096 0.000 0.920 273 G HN 0.514 8.804 8.290 -0.000 0.000 0.571 274 N N 1.138 119.886 118.700 0.080 0.000 2.462 274 N HA 0.425 5.155 4.740 -0.016 0.000 0.242 274 N C 1.169 176.845 175.510 0.276 0.000 1.010 274 N CA 0.547 53.663 53.050 0.109 0.000 0.939 274 N CB 0.617 39.125 38.487 0.035 0.000 1.127 274 N HN 0.966 9.346 8.380 -0.000 0.000 0.509 275 T N 0.298 114.988 114.554 0.227 0.000 3.223 275 T HA 0.152 4.492 4.350 -0.016 0.000 0.259 275 T C 1.012 175.836 174.700 0.208 0.000 1.015 275 T CA 0.060 62.286 62.100 0.210 0.000 0.908 275 T CB -0.254 68.693 68.868 0.132 0.000 1.054 275 T HN 0.425 8.665 8.240 -0.000 0.000 0.567 276 S N 1.929 117.827 115.700 0.329 0.000 4.137 276 S HA -0.410 4.050 4.470 -0.016 0.000 0.550 276 S C 2.018 176.627 174.600 0.016 0.000 1.887 276 S CA 2.180 60.478 58.200 0.164 0.000 4.230 276 S CB -1.683 61.563 63.200 0.077 0.000 0.378 276 S HN 1.448 9.758 8.310 -0.000 0.000 0.490 277 A N 1.011 123.836 122.820 0.009 0.000 1.978 277 A HA 0.279 4.590 4.320 -0.016 0.000 0.220 277 A C 2.464 180.073 177.584 0.041 0.000 1.170 277 A CA 2.577 54.634 52.037 0.034 0.000 0.636 277 A CB -1.202 17.832 19.000 0.056 0.000 0.810 277 A HN 1.644 9.794 8.150 -0.000 0.000 0.448 278 A N -1.272 121.566 122.820 0.030 0.000 2.169 278 A HA 0.153 4.464 4.320 -0.016 0.000 0.212 278 A C 2.210 179.758 177.584 -0.059 0.000 1.153 278 A CA 1.356 53.386 52.037 -0.011 0.000 0.756 278 A CB -0.595 18.421 19.000 0.027 0.000 0.813 278 A HN 0.461 8.611 8.150 -0.000 0.000 0.471 279 S N 0.098 115.803 115.700 0.008 0.000 2.353 279 S HA -0.154 4.306 4.470 -0.016 0.000 0.222 279 S C 1.882 176.433 174.600 -0.082 0.000 1.035 279 S CA 1.664 59.882 58.200 0.030 0.000 1.025 279 S CB -0.409 62.931 63.200 0.234 0.000 0.902 279 S HN 0.546 8.856 8.310 -0.000 0.000 0.440 280 I N 2.605 123.080 120.570 -0.160 0.000 2.142 280 I HA -0.103 4.057 4.170 -0.016 0.000 0.240 280 I C -0.725 175.154 176.117 -0.397 0.000 1.078 280 I CA 1.181 62.330 61.300 -0.252 0.000 1.343 280 I CB -1.297 36.587 38.000 -0.193 0.000 1.046 280 I HN 0.339 8.549 8.210 -0.000 0.000 0.405 281 P HA -0.150 4.270 4.420 -0.000 0.000 0.218 281 P C 2.001 179.169 177.300 -0.218 0.000 1.149 281 P CA 1.500 64.291 63.100 -0.515 0.000 0.817 281 P CB -0.016 31.299 31.700 -0.642 0.000 0.785 282 L N -0.479 120.644 121.223 -0.166 0.000 2.046 282 L HA -0.127 4.203 4.340 -0.016 0.000 0.208 282 L C 2.738 179.578 176.870 -0.050 0.000 1.077 282 L CA 1.615 56.411 54.840 -0.073 0.000 0.747 282 L CB -1.048 40.987 42.059 -0.039 0.000 0.896 282 L HN -0.048 8.182 8.230 -0.000 0.000 0.432 283 A N -0.575 122.202 122.820 -0.072 0.000 1.969 283 A HA -0.188 4.123 4.320 -0.016 0.000 0.218 283 A C 2.264 179.817 177.584 -0.050 0.000 1.169 283 A CA 1.383 53.386 52.037 -0.056 0.000 0.635 283 A CB -0.374 18.575 19.000 -0.085 0.000 0.810 283 A HN 0.329 8.479 8.150 -0.000 0.000 0.445 284 M N -0.553 119.006 119.600 -0.068 0.000 2.132 284 M HA -0.117 4.353 4.480 -0.016 0.000 0.263 284 M C 2.548 178.838 176.300 -0.016 0.000 1.065 284 M CA 1.431 56.709 55.300 -0.037 0.000 1.122 284 M CB -0.381 32.197 32.600 -0.038 0.000 1.365 284 M HN 0.460 8.750 8.290 -0.000 0.000 0.411 285 A N 0.008 122.816 122.820 -0.021 0.000 1.902 285 A HA -0.218 4.092 4.320 -0.016 0.000 0.217 285 A C 1.929 179.518 177.584 0.009 0.000 1.181 285 A CA 2.130 54.166 52.037 -0.002 0.000 0.623 285 A CB -0.707 18.291 19.000 -0.005 0.000 0.818 285 A HN 0.466 8.616 8.150 -0.000 0.000 0.443 286 E N 0.201 120.409 120.200 0.014 0.000 2.058 286 E HA -0.152 4.188 4.350 -0.016 0.000 0.194 286 E C 1.842 178.455 176.600 0.021 0.000 0.997 286 E CA 1.397 57.820 56.400 0.038 0.000 0.801 286 E CB -0.406 29.337 29.700 0.072 0.000 0.746 286 E HN 0.589 8.949 8.360 -0.000 0.000 0.450 287 L N -0.101 121.126 121.223 0.006 0.000 2.046 287 L HA -0.185 4.145 4.340 -0.016 0.000 0.208 287 L C 2.506 179.382 176.870 0.010 0.000 1.077 287 L CA 0.989 55.832 54.840 0.004 0.000 0.747 287 L CB -0.397 41.661 42.059 -0.001 0.000 0.896 287 L HN 0.238 8.468 8.230 -0.000 0.000 0.432 288 L N -1.167 120.063 121.223 0.013 0.000 2.056 288 L HA -0.168 4.162 4.340 -0.016 0.000 0.207 288 L C 2.610 179.489 176.870 0.016 0.000 1.078 288 L CA 1.250 56.100 54.840 0.016 0.000 0.749 288 L CB -0.835 41.235 42.059 0.018 0.000 0.901 288 L HN 0.212 8.442 8.230 -0.000 0.000 0.433 289 T N -0.902 113.662 114.554 0.017 0.000 2.665 289 T HA -0.215 4.126 4.350 -0.016 0.000 0.268 289 T C 1.879 176.590 174.700 0.017 0.000 1.035 289 T CA 2.163 64.274 62.100 0.018 0.000 1.151 289 T CB -0.393 68.489 68.868 0.023 0.000 0.862 289 T HN 0.569 8.809 8.240 -0.000 0.000 0.438 290 T N -1.296 113.269 114.554 0.017 0.000 3.055 290 T HA 0.308 4.649 4.350 -0.016 0.000 0.265 290 T C 1.846 176.552 174.700 0.010 0.000 1.111 290 T CA 1.080 63.188 62.100 0.013 0.000 1.118 290 T CB -0.265 68.609 68.868 0.010 0.000 0.909 290 T HN 0.594 8.834 8.240 -0.000 0.000 0.501 291 G N 0.669 109.476 108.800 0.011 0.000 2.176 291 G HA2 -0.204 3.746 3.960 -0.016 0.000 0.253 291 G HA3 -0.204 3.746 3.960 -0.016 0.000 0.253 291 G C 1.182 176.088 174.900 0.009 0.000 0.979 291 G CA 0.353 45.459 45.100 0.010 0.000 0.641 291 G HN 1.053 9.343 8.290 -0.000 0.000 0.530 292 A N -0.132 122.692 122.820 0.008 0.000 1.940 292 A HA 0.525 4.836 4.320 -0.016 0.000 0.219 292 A C 1.782 179.373 177.584 0.012 0.000 1.176 292 A CA 2.336 54.377 52.037 0.007 0.000 0.631 292 A CB -0.329 18.673 19.000 0.003 0.000 0.814 292 A HN 2.161 10.310 8.150 -0.000 0.000 0.446 293 A N -0.184 122.644 122.820 0.013 0.000 2.312 293 A HA 0.620 4.931 4.320 -0.016 0.000 0.328 293 A C -0.227 177.368 177.584 0.018 0.000 1.158 293 A CA -0.709 51.339 52.037 0.018 0.000 0.821 293 A CB 0.700 19.712 19.000 0.020 0.000 1.170 293 A HN 0.202 8.352 8.150 -0.000 0.000 0.490 294 K N 1.446 121.858 120.400 0.020 0.000 2.208 294 K HA 0.507 4.817 4.320 -0.016 0.000 0.247 294 K C -2.973 173.641 176.600 0.024 0.000 0.953 294 K CA -2.263 54.035 56.287 0.020 0.000 0.837 294 K CB 1.207 33.717 32.500 0.017 0.000 1.131 294 K HN 0.319 8.569 8.250 -0.000 0.000 0.431 295 P HA -0.018 4.402 4.420 -0.000 0.000 0.264 295 P C 0.742 178.061 177.300 0.031 0.000 1.183 295 P CA 1.018 64.136 63.100 0.031 0.000 0.763 295 P CB 0.350 32.068 31.700 0.030 0.000 0.807 296 G N 1.935 110.757 108.800 0.037 0.000 2.241 296 G HA2 -0.207 3.744 3.960 -0.016 0.000 0.244 296 G HA3 -0.207 3.744 3.960 -0.016 0.000 0.244 296 G C 0.037 174.954 174.900 0.028 0.000 0.998 296 G CA -0.245 44.875 45.100 0.034 0.000 0.621 296 G HN 0.507 8.797 8.290 -0.000 0.000 0.519 297 D N 0.444 120.861 120.400 0.028 0.000 2.472 297 D HA 0.344 4.975 4.640 -0.016 0.000 0.237 297 D C 0.589 176.909 176.300 0.034 0.000 1.141 297 D CA -0.120 53.896 54.000 0.027 0.000 0.875 297 D CB 0.945 41.762 40.800 0.029 0.000 1.192 297 D HN 0.228 8.598 8.370 -0.000 0.000 0.450 298 L N 2.104 123.345 121.223 0.029 0.000 2.315 298 L HA 0.399 4.729 4.340 -0.016 0.000 0.283 298 L C -0.295 176.606 176.870 0.051 0.000 1.089 298 L CA -0.132 54.729 54.840 0.035 0.000 0.833 298 L CB 0.265 42.337 42.059 0.021 0.000 1.170 298 L HN 0.397 8.627 8.230 -0.000 0.000 0.442 299 A N 5.274 128.134 122.820 0.066 0.000 2.342 299 A HA 0.663 4.974 4.320 -0.016 0.000 0.323 299 A C -1.314 176.339 177.584 0.114 0.000 1.125 299 A CA -0.641 51.451 52.037 0.093 0.000 0.785 299 A CB 1.213 20.265 19.000 0.088 0.000 1.221 299 A HN 0.640 8.790 8.150 -0.000 0.000 0.463 300 L N 3.374 124.698 121.223 0.169 0.000 2.272 300 L HA 0.616 4.946 4.340 -0.016 0.000 0.289 300 L C -1.066 175.965 176.870 0.268 0.000 1.032 300 L CA -0.093 54.871 54.840 0.207 0.000 0.810 300 L CB 0.522 42.700 42.059 0.199 0.000 1.205 300 L HN 0.580 8.810 8.230 -0.000 0.000 0.422 301 L N 6.801 128.142 121.223 0.197 0.000 2.307 301 L HA 0.566 4.897 4.340 -0.016 0.000 0.284 301 L C -0.629 176.357 176.870 0.194 0.000 1.023 301 L CA -0.501 54.442 54.840 0.173 0.000 0.810 301 L CB 1.530 43.696 42.059 0.178 0.000 1.231 301 L HN 0.550 8.780 8.230 -0.000 0.000 0.423 302 I N 2.465 123.153 120.570 0.197 0.000 2.497 302 I HA 0.372 4.532 4.170 -0.016 0.000 0.284 302 I C 0.265 176.536 176.117 0.256 0.000 1.060 302 I CA -0.347 61.097 61.300 0.240 0.000 1.071 302 I CB 1.996 40.181 38.000 0.307 0.000 1.216 302 I HN 0.652 8.862 8.210 -0.000 0.000 0.442 303 G N 5.801 114.734 108.800 0.221 0.000 2.348 303 G HA2 0.634 4.584 3.960 -0.016 0.000 0.312 303 G HA3 0.634 4.584 3.960 -0.016 0.000 0.312 303 G C -1.369 173.702 174.900 0.286 0.000 1.126 303 G CA -0.262 44.929 45.100 0.153 0.000 0.865 303 G HN 0.614 8.904 8.290 -0.000 0.000 0.474 304 Y N 0.060 120.481 120.300 0.202 0.000 2.482 304 Y HA 0.798 5.337 4.550 -0.018 0.000 0.334 304 Y C 0.201 176.333 175.900 0.387 0.000 1.091 304 Y CA -0.816 57.502 58.100 0.362 0.000 1.027 304 Y CB 1.447 40.040 38.460 0.221 0.000 1.306 304 Y HN 1.110 9.390 8.280 -0.000 0.000 0.446 305 G N 0.794 109.933 108.800 0.565 0.000 2.441 305 G HA2 0.533 4.484 3.960 -0.016 0.000 0.225 305 G HA3 0.533 4.484 3.960 -0.016 0.000 0.225 305 G C -1.150 173.864 174.900 0.189 0.000 1.200 305 G CA -0.440 44.855 45.100 0.325 0.000 0.947 305 G HN 1.225 9.515 8.290 -0.000 0.000 0.484 306 A N -0.835 122.050 122.820 0.108 0.000 2.520 306 A HA 0.548 4.859 4.320 -0.016 0.000 0.235 306 A C 1.745 179.337 177.584 0.014 0.000 1.065 306 A CA 2.241 54.304 52.037 0.043 0.000 0.764 306 A CB -0.345 18.670 19.000 0.026 0.000 1.002 306 A HN 2.856 11.006 8.150 -0.000 0.000 0.502 307 G N -0.104 108.678 108.800 -0.031 0.000 2.258 307 G HA2 -0.155 3.796 3.960 -0.016 0.000 0.233 307 G HA3 -0.155 3.796 3.960 -0.016 0.000 0.233 307 G C 0.383 175.219 174.900 -0.106 0.000 1.006 307 G CA -0.222 44.851 45.100 -0.045 0.000 0.620 307 G HN 1.796 10.086 8.290 -0.000 0.000 0.511 308 L N 0.321 121.436 121.223 -0.180 0.000 3.339 308 L HA -0.149 4.181 4.340 -0.016 0.000 0.610 308 L C -0.097 176.737 176.870 -0.061 0.000 1.015 308 L CA 1.128 55.734 54.840 -0.391 0.000 1.223 308 L CB -1.874 39.679 42.059 -0.844 0.000 1.327 308 L HN 0.531 8.761 8.230 -0.000 0.000 0.716 309 S N 2.217 118.012 115.700 0.158 0.000 2.526 309 S HA 0.862 5.322 4.470 -0.016 0.000 0.293 309 S C -0.762 174.142 174.600 0.508 0.000 1.092 309 S CA -0.764 57.600 58.200 0.274 0.000 0.980 309 S CB 2.426 65.774 63.200 0.246 0.000 1.048 309 S HN 0.462 8.772 8.310 -0.000 0.000 0.483 310 Y N -0.750 119.781 120.300 0.384 0.000 2.553 310 Y HA 0.916 5.460 4.550 -0.009 0.000 0.347 310 Y C -0.882 175.013 175.900 -0.008 0.000 1.019 310 Y CA -1.498 56.762 58.100 0.267 0.000 1.032 310 Y CB 1.080 39.715 38.460 0.292 0.000 1.284 310 Y HN 0.807 9.087 8.280 -0.000 0.000 0.466 311 A N 1.739 124.603 122.820 0.073 0.000 2.488 311 A HA 0.945 5.255 4.320 -0.016 0.000 0.295 311 A C -1.580 176.020 177.584 0.026 0.000 1.045 311 A CA -0.151 51.764 52.037 -0.203 0.000 0.703 311 A CB 1.009 19.582 19.000 -0.713 0.000 1.271 311 A HN 1.843 9.993 8.150 -0.000 0.000 0.400 312 A N 2.011 124.860 122.820 0.048 0.000 2.539 312 A HA 0.951 5.261 4.320 -0.016 0.000 0.296 312 A C -1.080 176.538 177.584 0.058 0.000 1.073 312 A CA -0.486 51.606 52.037 0.091 0.000 0.700 312 A CB 1.715 20.793 19.000 0.129 0.000 1.296 312 A HN 1.659 9.809 8.150 -0.000 0.000 0.405 313 Q N 0.345 120.190 119.800 0.075 0.000 2.578 313 Q HA 0.522 4.852 4.340 -0.016 0.000 0.284 313 Q C -1.925 174.122 176.000 0.077 0.000 0.960 313 Q CA -0.736 55.102 55.803 0.060 0.000 0.809 313 Q CB 1.114 29.873 28.738 0.035 0.000 1.462 313 Q HN 0.592 8.863 8.270 -0.000 0.000 0.392 314 V N 1.478 121.429 119.914 0.062 0.000 2.509 314 V HA 0.609 4.719 4.120 -0.016 0.000 0.284 314 V C 0.463 176.595 176.094 0.062 0.000 1.047 314 V CA -0.318 62.020 62.300 0.064 0.000 0.952 314 V CB 1.088 32.939 31.823 0.046 0.000 0.988 314 V HN 0.646 8.836 8.190 -0.000 0.000 0.469 315 V N 3.304 123.261 119.914 0.072 0.000 3.130 315 V HA 0.714 4.825 4.120 -0.016 0.000 0.310 315 V C -0.063 176.070 176.094 0.065 0.000 1.158 315 V CA -0.972 61.370 62.300 0.070 0.000 1.029 315 V CB 2.209 34.083 31.823 0.086 0.000 1.057 315 V HN 0.738 8.928 8.190 -0.000 0.000 0.436 316 R N 0.541 121.078 120.500 0.062 0.000 1.571 316 R HA 0.577 4.907 4.340 -0.016 0.000 0.103 316 R C -0.262 176.074 176.300 0.061 0.000 1.422 316 R CA -0.725 55.410 56.100 0.058 0.000 1.875 316 R CB 0.305 30.640 30.300 0.059 0.000 1.159 316 R HN 0.705 8.975 8.270 -0.000 0.000 0.637 317 K N 0.000 120.422 120.400 0.037 0.000 2.780 317 K HA 0.000 4.310 4.320 -0.016 0.000 0.191 317 K CA 0.000 56.305 56.287 0.030 0.000 0.838 317 K CB 0.000 32.517 32.500 0.028 0.000 1.064 317 K HN 0.000 8.250 8.250 -0.000 0.000 0.543