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 1l9p_1_C DATA FIRST_RESID 4 DATA SEQUENCE ATAAEIAALP RQKVELVDPP FVHAHSQVAE GGPKVVEFTM VIEEKKIVID DATA SEQUENCE DAGTEVHAMA FNGTVPGPLM VVHQDDYLEL TLINPETNTL MHNIDFHAAT DATA SEQUENCE GALGGGGLTE INPGEKTILR FKATKPGVFV YHCAPPGMVP WHVVSGMNGA DATA SEQUENCE IMVLPREGLH DGKGKALTYD KIYYVGEQDF YVPRDENGKY KKYEAPGDAY DATA SEQUENCE EDTVKVMRTL TPTHVVFNGA VGALTGDKAM TAAVGEKVLI VHSQANRDTR DATA SEQUENCE PHLGGGHGDY VWATGKFNTP PDVDQETWFI PGGAAGAAFY TFQQPGIYAY DATA SEQUENCE VNHNLIEAFE LGAAAHFKVT GEWNDDLMTS VLAPSG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 4 A C 0.000 177.609 177.584 0.041 0.000 1.274 4 A CA 0.000 52.080 52.037 0.072 0.000 0.836 4 A CB 0.000 19.077 19.000 0.128 0.000 0.831 5 T N -0.462 114.100 114.554 0.013 0.000 2.874 5 T HA 0.624 4.974 4.350 0.001 0.000 0.281 5 T C 1.465 176.147 174.700 -0.030 0.000 0.994 5 T CA 0.312 62.410 62.100 -0.004 0.000 1.015 5 T CB 1.402 70.266 68.868 -0.007 0.000 1.028 5 T HN 2.031 10.271 8.240 -0.000 0.000 0.523 6 A N 1.066 123.866 122.820 -0.033 0.000 1.940 6 A HA 0.140 4.460 4.320 0.001 0.000 0.219 6 A C 2.602 180.146 177.584 -0.066 0.000 1.176 6 A CA 1.888 53.891 52.037 -0.056 0.000 0.631 6 A CB -1.529 17.448 19.000 -0.040 0.000 0.814 6 A HN 1.233 9.383 8.150 -0.000 0.000 0.446 7 A N -0.263 122.529 122.820 -0.046 0.000 1.898 7 A HA -0.140 4.180 4.320 0.001 0.000 0.216 7 A C 1.912 179.464 177.584 -0.053 0.000 1.181 7 A CA 1.562 53.572 52.037 -0.045 0.000 0.620 7 A CB -0.490 18.492 19.000 -0.030 0.000 0.819 7 A HN 0.631 8.781 8.150 -0.000 0.000 0.442 8 E N -0.246 119.926 120.200 -0.047 0.000 2.077 8 E HA -0.146 4.204 4.350 0.001 0.000 0.193 8 E C 1.854 178.405 176.600 -0.081 0.000 0.989 8 E CA 1.245 57.619 56.400 -0.044 0.000 0.800 8 E CB -0.294 29.395 29.700 -0.018 0.000 0.746 8 E HN 0.699 9.059 8.360 -0.000 0.000 0.452 9 I N 1.123 121.612 120.570 -0.136 0.000 2.226 9 I HA -0.244 3.927 4.170 0.001 0.000 0.245 9 I C 2.519 178.508 176.117 -0.213 0.000 1.100 9 I CA 0.855 61.992 61.300 -0.273 0.000 1.374 9 I CB -0.295 37.453 38.000 -0.420 0.000 1.057 9 I HN 0.075 8.285 8.210 -0.000 0.000 0.413 10 A N 0.667 123.399 122.820 -0.146 0.000 2.019 10 A HA -0.102 4.219 4.320 0.001 0.000 0.219 10 A C 2.389 179.921 177.584 -0.087 0.000 1.164 10 A CA 1.757 53.728 52.037 -0.111 0.000 0.644 10 A CB -0.594 18.358 19.000 -0.080 0.000 0.805 10 A HN 0.447 8.597 8.150 -0.000 0.000 0.449 11 A N -0.846 121.928 122.820 -0.076 0.000 2.169 11 A HA 0.417 4.737 4.320 0.001 0.000 0.212 11 A C 0.908 178.460 177.584 -0.054 0.000 1.153 11 A CA -0.204 51.800 52.037 -0.055 0.000 0.756 11 A CB -0.317 18.658 19.000 -0.042 0.000 0.813 11 A HN 0.433 8.583 8.150 -0.000 0.000 0.471 12 L N 1.652 122.832 121.223 -0.070 0.000 2.461 12 L HA 0.195 4.536 4.340 0.001 0.000 0.272 12 L C -1.814 175.026 176.870 -0.050 0.000 1.197 12 L CA -1.656 53.152 54.840 -0.053 0.000 0.836 12 L CB 0.201 42.224 42.059 -0.060 0.000 1.105 12 L HN 0.173 8.403 8.230 -0.000 0.000 0.477 13 P HA 0.194 4.614 4.420 -0.000 0.000 0.272 13 P C -1.018 176.255 177.300 -0.045 0.000 1.223 13 P CA -0.282 62.796 63.100 -0.038 0.000 0.784 13 P CB 0.817 32.499 31.700 -0.030 0.000 0.923 14 R N 1.091 121.558 120.500 -0.055 0.000 2.664 14 R HA 0.451 4.791 4.340 0.001 0.000 0.286 14 R C -0.101 176.153 176.300 -0.077 0.000 0.967 14 R CA -0.682 55.377 56.100 -0.069 0.000 0.933 14 R CB 1.800 32.055 30.300 -0.075 0.000 1.146 14 R HN 0.531 8.800 8.270 -0.000 0.000 0.468 15 Q N 2.553 122.290 119.800 -0.104 0.000 2.275 15 Q HA 0.256 4.596 4.340 0.001 0.000 0.266 15 Q C -1.455 174.426 176.000 -0.198 0.000 1.002 15 Q CA -0.739 54.991 55.803 -0.122 0.000 0.761 15 Q CB 1.544 30.223 28.738 -0.099 0.000 1.255 15 Q HN 0.366 8.636 8.270 -0.000 0.000 0.446 16 K N 2.474 122.766 120.400 -0.179 0.000 2.276 16 K HA 0.382 4.702 4.320 0.001 0.000 0.285 16 K C -0.814 175.622 176.600 -0.273 0.000 1.062 16 K CA -0.463 55.690 56.287 -0.225 0.000 0.918 16 K CB 1.551 33.966 32.500 -0.141 0.000 1.055 16 K HN 0.322 8.572 8.250 -0.000 0.000 0.477 17 V N 3.882 123.524 119.914 -0.453 0.000 2.483 17 V HA 0.117 4.237 4.120 0.001 0.000 0.295 17 V C -0.024 175.910 176.094 -0.267 0.000 1.035 17 V CA -0.823 61.197 62.300 -0.466 0.000 0.896 17 V CB 1.577 32.847 31.823 -0.921 0.000 0.986 17 V HN 0.764 8.954 8.190 -0.000 0.000 0.447 18 E N 5.581 125.702 120.200 -0.132 0.000 2.109 18 E HA 0.432 4.783 4.350 0.001 0.000 0.278 18 E C -0.860 175.784 176.600 0.074 0.000 0.954 18 E CA -0.613 55.780 56.400 -0.011 0.000 0.779 18 E CB 1.527 31.233 29.700 0.010 0.000 1.093 18 E HN 0.490 8.850 8.360 -0.000 0.000 0.401 19 L N 2.259 123.568 121.223 0.144 0.000 2.436 19 L HA 0.309 4.649 4.340 0.001 0.000 0.265 19 L C 0.549 177.548 176.870 0.216 0.000 1.168 19 L CA -0.806 54.180 54.840 0.243 0.000 0.815 19 L CB 0.972 43.182 42.059 0.252 0.000 1.109 19 L HN 0.501 8.731 8.230 -0.000 0.000 0.462 20 V N -2.125 117.945 119.914 0.259 0.000 2.960 20 V HA 0.519 4.640 4.120 0.001 0.000 0.315 20 V C -0.716 175.524 176.094 0.243 0.000 1.087 20 V CA -1.110 61.322 62.300 0.221 0.000 0.982 20 V CB 1.942 33.897 31.823 0.220 0.000 1.039 20 V HN 0.524 8.714 8.190 -0.000 0.000 0.437 21 D N 3.116 123.654 120.400 0.230 0.000 2.389 21 D HA 0.394 5.034 4.640 0.001 0.000 0.247 21 D C -2.451 174.009 176.300 0.267 0.000 1.128 21 D CA -1.085 53.051 54.000 0.227 0.000 0.884 21 D CB 1.067 41.980 40.800 0.189 0.000 1.194 21 D HN 0.493 8.863 8.370 -0.000 0.000 0.441 22 P HA 0.048 4.468 4.420 -0.000 0.000 0.269 22 P C -1.810 175.478 177.300 -0.020 0.000 1.217 22 P CA -0.808 62.348 63.100 0.093 0.000 0.783 22 P CB 0.187 31.882 31.700 -0.009 0.000 0.898 23 P HA 0.036 4.456 4.420 -0.000 0.000 0.253 23 P C -0.294 176.937 177.300 -0.115 0.000 1.260 23 P CA 0.376 63.337 63.100 -0.232 0.000 0.800 23 P CB 0.059 31.530 31.700 -0.382 0.000 1.162 24 F N 0.026 120.078 119.950 0.171 0.000 2.403 24 F HA 0.255 4.783 4.527 0.001 0.000 0.320 24 F C 1.106 176.976 175.800 0.117 0.000 1.176 24 F CA -0.587 57.492 58.000 0.131 0.000 1.206 24 F CB 0.550 39.616 39.000 0.110 0.000 1.235 24 F HN -0.353 7.947 8.300 -0.000 0.000 0.565 25 V N 0.619 120.692 119.914 0.265 0.000 2.656 25 V HA 0.203 4.323 4.120 0.001 0.000 0.307 25 V C -0.028 176.166 176.094 0.167 0.000 1.051 25 V CA -1.099 61.285 62.300 0.140 0.000 0.893 25 V CB 1.494 33.335 31.823 0.030 0.000 0.999 25 V HN 0.804 8.994 8.190 -0.000 0.000 0.426 26 H N 2.810 122.021 119.070 0.234 0.000 2.913 26 H HA 0.427 4.984 4.556 0.001 0.000 0.365 26 H C 0.225 175.736 175.328 0.304 0.000 1.155 26 H CA 0.001 56.188 56.048 0.231 0.000 1.417 26 H CB 0.875 30.774 29.762 0.229 0.000 1.386 26 H HN 0.794 9.074 8.280 -0.000 0.000 0.614 27 A N 3.326 126.392 122.820 0.409 0.000 2.498 27 A HA 0.206 4.526 4.320 0.001 0.000 0.239 27 A C 0.125 177.974 177.584 0.442 0.000 1.068 27 A CA 0.439 52.645 52.037 0.282 0.000 0.766 27 A CB -0.253 18.838 19.000 0.152 0.000 1.003 27 A HN 1.058 9.208 8.150 -0.000 0.000 0.497 28 H N -0.740 118.438 119.070 0.179 0.000 2.917 28 H HA 0.641 5.198 4.556 0.001 0.000 0.299 28 H C -1.186 174.224 175.328 0.136 0.000 1.418 28 H CA -0.278 55.888 56.048 0.197 0.000 1.138 28 H CB 0.665 30.543 29.762 0.192 0.000 1.830 28 H HN 0.872 9.152 8.280 -0.000 0.000 0.514 29 S N 0.128 115.951 115.700 0.205 0.000 2.482 29 S HA 0.222 4.692 4.470 0.001 0.000 0.303 29 S C 0.643 175.392 174.600 0.249 0.000 1.091 29 S CA -0.752 57.492 58.200 0.074 0.000 1.057 29 S CB 2.878 66.104 63.200 0.043 0.000 1.031 29 S HN 0.706 9.016 8.310 -0.000 0.000 0.485 30 Q N 1.173 121.015 119.800 0.069 0.000 2.020 30 Q HA -0.015 4.325 4.340 0.001 0.000 0.202 30 Q C 0.170 176.302 176.000 0.219 0.000 0.982 30 Q CA 1.275 57.138 55.803 0.100 0.000 0.838 30 Q CB -0.151 28.459 28.738 -0.214 0.000 0.899 30 Q HN 0.670 8.940 8.270 -0.000 0.000 0.423 31 V N 1.499 121.445 119.914 0.053 0.000 2.498 31 V HA 0.282 4.402 4.120 0.001 0.000 0.279 31 V C -0.001 176.005 176.094 -0.146 0.000 1.048 31 V CA -0.646 61.651 62.300 -0.004 0.000 0.967 31 V CB 0.964 32.761 31.823 -0.043 0.000 0.988 31 V HN 0.285 8.475 8.190 -0.000 0.000 0.473 32 A N 4.637 127.222 122.820 -0.393 0.000 2.540 32 A HA 0.155 4.476 4.320 0.001 0.000 0.239 32 A C 0.409 177.830 177.584 -0.271 0.000 1.061 32 A CA 0.058 51.705 52.037 -0.650 0.000 0.758 32 A CB -0.109 18.552 19.000 -0.565 0.000 0.991 32 A HN 0.875 9.025 8.150 -0.000 0.000 0.502 33 E N 1.650 121.723 120.200 -0.212 0.000 2.028 33 E HA 0.467 4.818 4.350 0.001 0.000 0.266 33 E C 0.686 177.234 176.600 -0.087 0.000 0.962 33 E CA 0.496 56.832 56.400 -0.108 0.000 0.784 33 E CB 0.629 30.289 29.700 -0.068 0.000 1.114 33 E HN 1.315 9.675 8.360 -0.000 0.000 0.414 34 G N 2.319 111.075 108.800 -0.074 0.000 2.698 34 G HA2 -0.177 3.783 3.960 0.001 0.000 0.225 34 G HA3 -0.177 3.783 3.960 0.001 0.000 0.225 34 G C 0.325 175.195 174.900 -0.050 0.000 1.345 34 G CA -0.795 44.274 45.100 -0.052 0.000 0.871 34 G HN 0.660 8.950 8.290 -0.000 0.000 0.540 35 G N -0.182 108.601 108.800 -0.028 0.000 2.588 35 G HA2 0.631 4.591 3.960 0.001 0.000 0.278 35 G HA3 0.631 4.591 3.960 0.001 0.000 0.278 35 G C -2.086 172.813 174.900 -0.002 0.000 1.307 35 G CA -0.155 44.937 45.100 -0.014 0.000 1.016 35 G HN 0.708 8.998 8.290 -0.000 0.000 0.503 36 P HA 0.182 4.602 4.420 -0.000 0.000 0.265 36 P C -0.429 176.914 177.300 0.073 0.000 1.193 36 P CA 0.412 63.547 63.100 0.058 0.000 0.765 36 P CB 0.511 32.269 31.700 0.095 0.000 0.823 37 K N 0.235 120.686 120.400 0.084 0.000 2.466 37 K HA 0.671 4.992 4.320 0.001 0.000 0.260 37 K C -1.398 175.258 176.600 0.093 0.000 1.011 37 K CA -1.174 55.148 56.287 0.059 0.000 0.871 37 K CB 1.098 33.606 32.500 0.013 0.000 1.404 37 K HN -0.040 8.210 8.250 -0.000 0.000 0.450 38 V N 2.078 122.006 119.914 0.022 0.000 2.318 38 V HA 0.173 4.293 4.120 0.001 0.000 0.271 38 V C -0.525 175.536 176.094 -0.055 0.000 1.030 38 V CA -0.802 61.499 62.300 0.002 0.000 0.844 38 V CB 1.087 32.867 31.823 -0.073 0.000 1.015 38 V HN 0.500 8.690 8.190 -0.000 0.000 0.460 39 V N 5.346 125.224 119.914 -0.061 0.000 2.385 39 V HA 0.301 4.422 4.120 0.001 0.000 0.269 39 V C 0.321 176.260 176.094 -0.258 0.000 1.043 39 V CA -0.567 61.629 62.300 -0.172 0.000 0.906 39 V CB 0.895 32.663 31.823 -0.091 0.000 0.995 39 V HN 0.880 9.070 8.190 -0.000 0.000 0.467 40 E N 4.659 124.629 120.200 -0.383 0.000 2.197 40 E HA 0.640 4.990 4.350 0.001 0.000 0.281 40 E C -1.327 174.950 176.600 -0.539 0.000 0.995 40 E CA -0.243 55.971 56.400 -0.309 0.000 0.808 40 E CB 1.514 31.099 29.700 -0.191 0.000 1.093 40 E HN 0.543 8.903 8.360 -0.000 0.000 0.394 41 F N 0.376 120.284 119.950 -0.070 0.000 2.588 41 F HA 0.463 4.990 4.527 0.000 0.000 0.314 41 F C 0.070 175.856 175.800 -0.023 0.000 1.069 41 F CA -0.741 57.226 58.000 -0.054 0.000 0.931 41 F CB 2.504 41.474 39.000 -0.050 0.000 1.260 41 F HN 0.164 8.464 8.300 -0.000 0.000 0.465 42 T N 3.316 117.984 114.554 0.191 0.000 2.881 42 T HA 0.672 5.023 4.350 0.001 0.000 0.290 42 T C -0.765 174.011 174.700 0.128 0.000 1.000 42 T CA -0.664 61.510 62.100 0.124 0.000 0.978 42 T CB 1.310 70.222 68.868 0.075 0.000 0.997 42 T HN 0.414 8.654 8.240 -0.000 0.000 0.443 43 M N 2.822 122.492 119.600 0.117 0.000 2.326 43 M HA 0.480 4.960 4.480 0.001 0.000 0.292 43 M C -1.141 175.238 176.300 0.131 0.000 1.081 43 M CA -0.964 54.413 55.300 0.129 0.000 0.919 43 M CB 2.548 35.227 32.600 0.132 0.000 1.634 43 M HN 0.250 8.540 8.290 -0.000 0.000 0.451 44 V N 4.070 124.053 119.914 0.115 0.000 2.472 44 V HA 0.476 4.596 4.120 0.001 0.000 0.290 44 V C -0.000 176.139 176.094 0.075 0.000 1.037 44 V CA -0.608 61.745 62.300 0.087 0.000 0.908 44 V CB 1.828 33.689 31.823 0.063 0.000 0.985 44 V HN 0.696 8.886 8.190 -0.000 0.000 0.454 45 I N 4.433 125.021 120.570 0.029 0.000 2.395 45 I HA 0.340 4.510 4.170 0.001 0.000 0.289 45 I C 0.123 176.186 176.117 -0.090 0.000 1.023 45 I CA -0.083 61.163 61.300 -0.090 0.000 1.350 45 I CB 0.730 38.599 38.000 -0.218 0.000 1.409 45 I HN 0.546 8.756 8.210 -0.000 0.000 0.507 46 E N 6.569 126.699 120.200 -0.117 0.000 2.216 46 E HA 0.298 4.648 4.350 0.001 0.000 0.260 46 E C -1.072 175.461 176.600 -0.110 0.000 0.880 46 E CA -0.527 55.827 56.400 -0.076 0.000 0.765 46 E CB 1.788 31.468 29.700 -0.033 0.000 1.174 46 E HN 0.526 8.886 8.360 -0.000 0.000 0.417 47 E N 3.232 123.385 120.200 -0.078 0.000 2.152 47 E HA 0.222 4.572 4.350 0.001 0.000 0.285 47 E C -0.112 176.465 176.600 -0.039 0.000 1.043 47 E CA -0.151 56.210 56.400 -0.065 0.000 0.839 47 E CB 0.894 30.593 29.700 -0.001 0.000 1.069 47 E HN 0.343 8.703 8.360 -0.000 0.000 0.399 48 K N 1.769 122.130 120.400 -0.066 0.000 2.556 48 K HA 0.414 4.735 4.320 0.001 0.000 0.274 48 K C -0.968 175.537 176.600 -0.158 0.000 0.966 48 K CA -1.070 55.169 56.287 -0.080 0.000 0.865 48 K CB 1.615 34.075 32.500 -0.066 0.000 1.444 48 K HN 0.047 8.297 8.250 -0.000 0.000 0.433 49 K N 1.948 122.223 120.400 -0.208 0.000 2.270 49 K HA 0.363 4.684 4.320 0.001 0.000 0.276 49 K C -0.039 176.433 176.600 -0.214 0.000 1.023 49 K CA -0.452 55.647 56.287 -0.314 0.000 0.955 49 K CB 0.520 32.835 32.500 -0.307 0.000 0.975 49 K HN 0.612 8.862 8.250 -0.000 0.000 0.471 50 I N -1.395 119.030 120.570 -0.242 0.000 2.730 50 I HA 0.414 4.584 4.170 0.001 0.000 0.298 50 I C -0.723 175.258 176.117 -0.227 0.000 1.089 50 I CA -1.334 59.849 61.300 -0.195 0.000 1.041 50 I CB 1.964 39.860 38.000 -0.174 0.000 1.235 50 I HN 0.079 8.289 8.210 -0.000 0.000 0.423 51 V N 5.715 125.525 119.914 -0.173 0.000 2.370 51 V HA 0.275 4.396 4.120 0.001 0.000 0.279 51 V C 0.985 176.972 176.094 -0.178 0.000 1.029 51 V CA -0.366 61.832 62.300 -0.171 0.000 0.870 51 V CB 1.293 33.050 31.823 -0.110 0.000 0.984 51 V HN 0.845 9.035 8.190 -0.000 0.000 0.451 52 I N 0.510 120.929 120.570 -0.251 0.000 3.968 52 I HA 0.404 4.574 4.170 0.001 0.000 0.328 52 I C 0.202 176.233 176.117 -0.142 0.000 1.290 52 I CA 0.064 61.223 61.300 -0.234 0.000 1.163 52 I CB 0.461 38.204 38.000 -0.428 0.000 1.024 52 I HN 0.672 8.882 8.210 -0.000 0.000 0.413 53 D N -0.300 120.033 120.400 -0.110 0.000 2.626 53 D HA 0.111 4.752 4.640 0.001 0.000 0.278 53 D C -0.188 176.105 176.300 -0.012 0.000 1.211 53 D CA -0.369 53.620 54.000 -0.018 0.000 0.903 53 D CB 0.571 41.416 40.800 0.076 0.000 1.408 53 D HN 0.056 8.426 8.370 -0.000 0.000 0.454 54 D N -0.896 119.510 120.400 0.011 0.000 2.363 54 D HA 0.117 4.757 4.640 0.001 0.000 0.226 54 D C 1.128 177.441 176.300 0.021 0.000 1.020 54 D CA 0.420 54.426 54.000 0.009 0.000 0.892 54 D CB -0.288 40.518 40.800 0.011 0.000 0.900 54 D HN 0.443 8.813 8.370 -0.000 0.000 0.531 55 A N -0.202 122.642 122.820 0.040 0.000 2.345 55 A HA 0.578 4.898 4.320 0.001 0.000 0.225 55 A C 1.854 179.463 177.584 0.042 0.000 1.243 55 A CA 0.161 52.234 52.037 0.060 0.000 0.875 55 A CB -0.543 18.531 19.000 0.122 0.000 0.929 55 A HN 0.507 8.657 8.150 -0.000 0.000 0.502 56 G N -0.462 108.341 108.800 0.005 0.000 2.153 56 G HA2 -0.241 3.719 3.960 0.001 0.000 0.252 56 G HA3 -0.241 3.719 3.960 0.001 0.000 0.252 56 G C 0.329 175.205 174.900 -0.041 0.000 0.994 56 G CA 0.426 45.514 45.100 -0.021 0.000 0.698 56 G HN 0.594 8.884 8.290 -0.000 0.000 0.521 57 T N 1.131 115.647 114.554 -0.062 0.000 2.902 57 T HA 0.405 4.755 4.350 0.001 0.000 0.301 57 T C 0.439 175.004 174.700 -0.225 0.000 1.012 57 T CA 0.562 62.577 62.100 -0.141 0.000 1.151 57 T CB 1.096 69.773 68.868 -0.318 0.000 0.946 57 T HN 0.490 8.730 8.240 -0.000 0.000 0.542 58 E N 1.388 121.478 120.200 -0.183 0.000 2.202 58 E HA 0.634 4.984 4.350 0.001 0.000 0.272 58 E C -0.951 175.495 176.600 -0.258 0.000 0.951 58 E CA -0.891 55.381 56.400 -0.213 0.000 0.813 58 E CB 1.966 31.587 29.700 -0.132 0.000 1.151 58 E HN 0.234 8.594 8.360 -0.000 0.000 0.398 59 V N 2.071 121.770 119.914 -0.358 0.000 2.789 59 V HA 0.140 4.260 4.120 0.001 0.000 0.311 59 V C -0.698 175.216 176.094 -0.300 0.000 1.073 59 V CA -0.784 61.288 62.300 -0.379 0.000 0.921 59 V CB 1.923 33.254 31.823 -0.820 0.000 1.009 59 V HN 0.701 8.891 8.190 -0.000 0.000 0.426 60 H N 3.559 122.533 119.070 -0.160 0.000 2.908 60 H HA 0.458 5.014 4.556 0.001 0.000 0.269 60 H C 0.378 175.598 175.328 -0.180 0.000 1.303 60 H CA 0.068 56.041 56.048 -0.125 0.000 1.341 60 H CB 1.115 30.836 29.762 -0.068 0.000 1.519 60 H HN 0.788 9.068 8.280 -0.000 0.000 0.505 61 A N 4.138 126.874 122.820 -0.140 0.000 2.371 61 A HA 0.371 4.692 4.320 0.001 0.000 0.257 61 A C 0.430 177.920 177.584 -0.155 0.000 1.089 61 A CA -0.305 51.658 52.037 -0.122 0.000 0.794 61 A CB 0.389 19.332 19.000 -0.095 0.000 1.029 61 A HN 0.734 8.884 8.150 -0.000 0.000 0.488 62 M N 2.497 121.972 119.600 -0.207 0.000 2.016 62 M HA 0.421 4.901 4.480 0.001 0.000 0.315 62 M C -0.178 175.927 176.300 -0.325 0.000 0.930 62 M CA 0.040 55.145 55.300 -0.326 0.000 0.899 62 M CB 1.401 33.746 32.600 -0.425 0.000 1.401 62 M HN 0.728 9.018 8.290 -0.000 0.000 0.386 63 A N 2.753 125.420 122.820 -0.255 0.000 2.287 63 A HA 0.764 5.084 4.320 0.001 0.000 0.317 63 A C -0.822 176.696 177.584 -0.111 0.000 1.220 63 A CA -0.490 51.458 52.037 -0.148 0.000 0.835 63 A CB 0.370 19.346 19.000 -0.039 0.000 1.180 63 A HN 0.635 8.785 8.150 -0.000 0.000 0.500 64 F N 2.196 122.149 119.950 0.004 0.000 2.543 64 F HA 0.137 4.665 4.527 0.001 0.000 0.375 64 F C 1.454 177.289 175.800 0.059 0.000 1.075 64 F CA 1.212 59.236 58.000 0.040 0.000 1.225 64 F CB 0.205 39.291 39.000 0.145 0.000 1.099 64 F HN 0.848 9.148 8.300 -0.000 0.000 0.561 65 N N 1.901 120.744 118.700 0.239 0.000 2.778 65 N HA -0.229 4.512 4.740 0.001 0.000 0.249 65 N C 0.968 176.549 175.510 0.118 0.000 1.069 65 N CA 1.423 54.573 53.050 0.166 0.000 0.831 65 N CB -1.078 37.522 38.487 0.187 0.000 1.142 65 N HN 1.134 9.514 8.380 -0.000 0.000 0.573 66 G N -2.581 106.269 108.800 0.084 0.000 2.159 66 G HA2 -0.285 3.676 3.960 0.001 0.000 0.256 66 G HA3 -0.285 3.676 3.960 0.001 0.000 0.256 66 G C 0.133 175.065 174.900 0.053 0.000 0.977 66 G CA 1.411 46.539 45.100 0.047 0.000 0.652 66 G HN 1.371 9.661 8.290 -0.000 0.000 0.531 67 T N -2.924 111.682 114.554 0.088 0.000 2.916 67 T HA 0.739 5.090 4.350 0.001 0.000 0.292 67 T C -0.749 174.004 174.700 0.088 0.000 1.064 67 T CA -0.494 61.654 62.100 0.081 0.000 1.011 67 T CB 3.053 71.981 68.868 0.101 0.000 1.152 67 T HN 0.878 9.118 8.240 -0.000 0.000 0.510 68 V N 3.579 123.530 119.914 0.062 0.000 2.409 68 V HA 0.489 4.609 4.120 0.001 0.000 0.290 68 V C -2.145 173.951 176.094 0.002 0.000 1.017 68 V CA -1.770 60.563 62.300 0.056 0.000 0.841 68 V CB 1.536 33.415 31.823 0.094 0.000 1.003 68 V HN 0.857 9.047 8.190 -0.000 0.000 0.426 69 P HA 0.244 4.664 4.420 -0.000 0.000 0.277 69 P C 0.337 177.715 177.300 0.131 0.000 1.271 69 P CA 0.003 63.116 63.100 0.022 0.000 0.795 69 P CB 1.055 32.733 31.700 -0.037 0.000 1.101 70 G N 0.356 109.273 108.800 0.196 0.000 2.636 70 G HA2 0.305 4.266 3.960 0.001 0.000 0.246 70 G HA3 0.305 4.266 3.960 0.001 0.000 0.246 70 G C -2.259 172.823 174.900 0.303 0.000 1.216 70 G CA -0.992 44.294 45.100 0.311 0.000 0.854 70 G HN 0.428 8.718 8.290 -0.000 0.000 0.572 71 P HA 0.105 4.525 4.420 -0.000 0.000 0.272 71 P C -0.421 176.998 177.300 0.198 0.000 1.230 71 P CA -0.522 62.744 63.100 0.275 0.000 0.788 71 P CB 1.145 32.988 31.700 0.238 0.000 0.949 72 L N 2.751 124.034 121.223 0.099 0.000 2.319 72 L HA 0.280 4.620 4.340 0.001 0.000 0.280 72 L C 0.193 177.057 176.870 -0.010 0.000 1.099 72 L CA 0.166 54.920 54.840 -0.142 0.000 0.828 72 L CB -0.111 41.775 42.059 -0.288 0.000 1.150 72 L HN 0.297 8.527 8.230 -0.000 0.000 0.442 73 M N 5.221 124.776 119.600 -0.075 0.000 2.268 73 M HA 0.464 4.944 4.480 0.001 0.000 0.344 73 M C -1.037 175.264 176.300 0.002 0.000 1.106 73 M CA -0.704 54.501 55.300 -0.157 0.000 1.010 73 M CB 1.795 33.933 32.600 -0.770 0.000 1.649 73 M HN 0.266 8.556 8.290 -0.000 0.000 0.443 74 V N 4.505 124.617 119.914 0.330 0.000 2.409 74 V HA 0.709 4.830 4.120 0.001 0.000 0.291 74 V C -0.171 176.071 176.094 0.247 0.000 1.020 74 V CA -0.677 61.669 62.300 0.078 0.000 0.848 74 V CB 1.574 33.188 31.823 -0.348 0.000 0.990 74 V HN 0.771 8.961 8.190 -0.000 0.000 0.430 75 V N 1.997 121.953 119.914 0.070 0.000 3.105 75 V HA 0.754 4.874 4.120 0.001 0.000 0.311 75 V C -1.066 174.966 176.094 -0.104 0.000 1.287 75 V CA -0.866 61.489 62.300 0.091 0.000 1.066 75 V CB 2.303 34.175 31.823 0.082 0.000 1.105 75 V HN 0.812 9.002 8.190 -0.000 0.000 0.462 76 H N -0.487 118.621 119.070 0.064 0.000 2.710 76 H HA 0.578 5.134 4.556 0.001 0.000 0.361 76 H C -0.285 175.058 175.328 0.025 0.000 1.175 76 H CA -0.302 55.781 56.048 0.058 0.000 1.206 76 H CB 1.349 31.140 29.762 0.049 0.000 1.750 76 H HN 0.913 9.193 8.280 -0.000 0.000 0.553 77 Q N 1.146 121.036 119.800 0.150 0.000 2.283 77 Q HA -0.095 4.246 4.340 0.001 0.000 0.301 77 Q C -0.399 175.613 176.000 0.019 0.000 1.063 77 Q CA 0.629 56.477 55.803 0.075 0.000 0.952 77 Q CB 0.149 28.941 28.738 0.090 0.000 1.166 77 Q HN 0.709 8.979 8.270 -0.000 0.000 0.381 78 D N 1.686 122.045 120.400 -0.068 0.000 3.077 78 D HA -0.168 4.473 4.640 0.001 0.000 0.212 78 D C -0.899 175.267 176.300 -0.224 0.000 1.125 78 D CA 1.136 55.041 54.000 -0.159 0.000 0.970 78 D CB -0.561 40.193 40.800 -0.078 0.000 1.110 78 D HN 0.587 8.957 8.370 -0.000 0.000 0.419 79 D N -1.019 119.286 120.400 -0.159 0.000 2.423 79 D HA 0.359 5.000 4.640 0.001 0.000 0.255 79 D C 0.274 176.386 176.300 -0.312 0.000 1.174 79 D CA 0.028 53.973 54.000 -0.092 0.000 1.008 79 D CB 0.391 41.194 40.800 0.006 0.000 1.101 79 D HN -0.020 8.350 8.370 -0.000 0.000 0.516 80 Y N -0.009 120.206 120.300 -0.142 0.000 2.377 80 Y HA 0.421 4.971 4.550 0.000 0.000 0.339 80 Y C 0.015 175.724 175.900 -0.319 0.000 1.011 80 Y CA -0.819 57.135 58.100 -0.245 0.000 1.093 80 Y CB 1.475 39.832 38.460 -0.171 0.000 1.201 80 Y HN 0.086 8.366 8.280 -0.000 0.000 0.455 81 L N 3.474 124.402 121.223 -0.491 0.000 2.287 81 L HA 0.503 4.843 4.340 0.001 0.000 0.287 81 L C -0.714 175.936 176.870 -0.367 0.000 1.022 81 L CA -0.429 54.132 54.840 -0.465 0.000 0.814 81 L CB 1.012 42.537 42.059 -0.891 0.000 1.217 81 L HN 0.724 8.954 8.230 -0.000 0.000 0.420 82 E N 5.760 125.899 120.200 -0.103 0.000 2.141 82 E HA 0.301 4.652 4.350 0.001 0.000 0.259 82 E C -1.578 175.052 176.600 0.050 0.000 0.883 82 E CA -0.553 55.819 56.400 -0.046 0.000 0.744 82 E CB 1.369 31.043 29.700 -0.044 0.000 1.150 82 E HN 0.570 8.930 8.360 -0.000 0.000 0.420 83 L N 4.360 125.622 121.223 0.065 0.000 2.282 83 L HA 0.452 4.793 4.340 0.001 0.000 0.288 83 L C -0.774 176.161 176.870 0.108 0.000 1.033 83 L CA -0.285 54.635 54.840 0.133 0.000 0.807 83 L CB 1.744 43.913 42.059 0.184 0.000 1.209 83 L HN 0.556 8.786 8.230 -0.000 0.000 0.423 84 T N 5.975 120.591 114.554 0.102 0.000 2.753 84 T HA 0.364 4.715 4.350 0.001 0.000 0.297 84 T C -0.381 174.377 174.700 0.097 0.000 0.981 84 T CA -0.242 61.907 62.100 0.082 0.000 0.956 84 T CB 0.956 69.861 68.868 0.060 0.000 0.936 84 T HN 0.334 8.574 8.240 -0.000 0.000 0.463 85 L N 5.890 127.175 121.223 0.103 0.000 2.296 85 L HA 0.670 5.011 4.340 0.001 0.000 0.286 85 L C -1.075 175.861 176.870 0.109 0.000 1.023 85 L CA -0.497 54.416 54.840 0.122 0.000 0.812 85 L CB 0.744 42.891 42.059 0.147 0.000 1.223 85 L HN 0.591 8.821 8.230 -0.000 0.000 0.421 86 I N 4.511 125.145 120.570 0.107 0.000 2.433 86 I HA 0.381 4.551 4.170 0.001 0.000 0.292 86 I C -0.578 175.590 176.117 0.085 0.000 1.001 86 I CA -0.616 60.736 61.300 0.087 0.000 1.119 86 I CB 1.786 39.828 38.000 0.070 0.000 1.289 86 I HN 0.551 8.761 8.210 -0.000 0.000 0.438 87 N N 8.131 126.884 118.700 0.087 0.000 2.621 87 N HA 0.419 5.160 4.740 0.001 0.000 0.237 87 N C -2.742 172.814 175.510 0.077 0.000 0.997 87 N CA -2.177 50.932 53.050 0.099 0.000 0.918 87 N CB 1.187 39.761 38.487 0.144 0.000 1.122 87 N HN 0.131 8.511 8.380 -0.000 0.000 0.510 88 P HA 0.017 4.437 4.420 -0.000 0.000 0.267 88 P C 0.483 177.812 177.300 0.049 0.000 1.200 88 P CA 0.097 63.225 63.100 0.048 0.000 0.772 88 P CB 0.492 32.215 31.700 0.038 0.000 0.855 89 E N 0.500 120.724 120.200 0.040 0.000 2.401 89 E HA -0.167 4.183 4.350 0.001 0.000 0.199 89 E C 0.829 177.451 176.600 0.035 0.000 1.023 89 E CA 1.399 57.821 56.400 0.036 0.000 0.859 89 E CB -0.879 28.838 29.700 0.029 0.000 0.780 89 E HN 0.473 8.833 8.360 -0.000 0.000 0.523 90 T N -1.681 112.894 114.554 0.035 0.000 3.085 90 T HA 0.005 4.355 4.350 0.001 0.000 0.263 90 T C 0.754 175.479 174.700 0.041 0.000 1.127 90 T CA -0.075 62.046 62.100 0.034 0.000 1.103 90 T CB -0.178 68.707 68.868 0.028 0.000 0.921 90 T HN -0.029 8.211 8.240 -0.000 0.000 0.510 91 N N 1.992 120.724 118.700 0.052 0.000 2.408 91 N HA 0.298 5.039 4.740 0.001 0.000 0.260 91 N C 1.321 176.868 175.510 0.063 0.000 1.242 91 N CA 0.365 53.458 53.050 0.072 0.000 0.959 91 N CB 1.462 40.020 38.487 0.118 0.000 1.201 91 N HN 0.448 8.828 8.380 -0.000 0.000 0.511 92 T N -2.938 111.654 114.554 0.063 0.000 2.985 92 T HA 0.361 4.711 4.350 0.001 0.000 0.254 92 T C 0.603 175.309 174.700 0.011 0.000 1.021 92 T CA 0.090 62.213 62.100 0.038 0.000 0.957 92 T CB 0.006 68.899 68.868 0.042 0.000 1.047 92 T HN 0.230 8.470 8.240 -0.000 0.000 0.511 93 L N 1.302 122.510 121.223 -0.025 0.000 2.323 93 L HA 0.643 4.983 4.340 0.001 0.000 0.265 93 L C 0.090 176.772 176.870 -0.314 0.000 1.012 93 L CA -1.444 53.306 54.840 -0.149 0.000 0.820 93 L CB 1.908 43.848 42.059 -0.197 0.000 1.334 93 L HN 0.096 8.326 8.230 -0.000 0.000 0.427 94 M N 1.548 121.003 119.600 -0.243 0.000 2.241 94 M HA 0.319 4.800 4.480 0.001 0.000 0.335 94 M C -1.077 174.988 176.300 -0.391 0.000 1.122 94 M CA 0.483 55.667 55.300 -0.194 0.000 1.164 94 M CB 0.362 32.910 32.600 -0.086 0.000 1.459 94 M HN 0.562 8.852 8.290 -0.000 0.000 0.461 95 H N 2.056 121.164 119.070 0.063 0.000 2.977 95 H HA 0.583 5.140 4.556 0.001 0.000 0.350 95 H C -1.029 174.325 175.328 0.043 0.000 1.238 95 H CA -0.658 55.422 56.048 0.053 0.000 1.124 95 H CB 1.876 31.659 29.762 0.034 0.000 1.866 95 H HN 0.819 9.099 8.280 -0.000 0.000 0.550 96 N N 0.286 119.106 118.700 0.201 0.000 3.364 96 N HA 0.375 5.115 4.740 0.001 0.000 0.294 96 N C -1.554 174.083 175.510 0.212 0.000 1.562 96 N CA -0.689 52.457 53.050 0.160 0.000 0.862 96 N CB 1.899 40.435 38.487 0.083 0.000 1.691 96 N HN 0.634 9.014 8.380 -0.000 0.000 0.572 97 I N -0.593 120.051 120.570 0.122 0.000 2.692 97 I HA 0.379 4.550 4.170 0.001 0.000 0.293 97 I C -1.885 174.166 176.117 -0.110 0.000 1.200 97 I CA -0.480 60.829 61.300 0.015 0.000 1.036 97 I CB 1.891 39.797 38.000 -0.157 0.000 1.258 97 I HN 0.607 8.817 8.210 -0.000 0.000 0.421 98 D N 7.246 127.492 120.400 -0.257 0.000 2.425 98 D HA 0.325 4.965 4.640 0.001 0.000 0.240 98 D C -1.583 174.540 176.300 -0.296 0.000 1.080 98 D CA -0.089 53.767 54.000 -0.241 0.000 0.836 98 D CB 0.925 41.508 40.800 -0.361 0.000 1.125 98 D HN 0.227 8.597 8.370 -0.000 0.000 0.525 99 F N 2.800 122.624 119.950 -0.210 0.000 2.391 99 F HA 0.259 4.787 4.527 0.001 0.000 0.359 99 F C 1.880 177.586 175.800 -0.156 0.000 1.122 99 F CA -0.492 57.370 58.000 -0.231 0.000 1.120 99 F CB 1.186 39.875 39.000 -0.518 0.000 1.142 99 F HN 0.510 8.810 8.300 -0.000 0.000 0.483 100 H N 1.944 121.027 119.070 0.021 0.000 2.521 100 H HA -0.069 4.487 4.556 0.001 0.000 0.286 100 H C 1.828 177.031 175.328 -0.209 0.000 1.034 100 H CA 0.542 56.605 56.048 0.025 0.000 1.278 100 H CB 0.476 30.371 29.762 0.221 0.000 1.386 100 H HN 0.748 9.028 8.280 -0.000 0.000 0.567 101 A N 0.946 123.541 122.820 -0.375 0.000 2.167 101 A HA 0.292 4.613 4.320 0.001 0.000 0.214 101 A C 1.345 178.496 177.584 -0.721 0.000 1.151 101 A CA 0.474 51.850 52.037 -1.101 0.000 0.735 101 A CB 0.009 18.493 19.000 -0.859 0.000 0.802 101 A HN 0.309 8.459 8.150 -0.000 0.000 0.467 102 A N -0.806 121.568 122.820 -0.744 0.000 2.269 102 A HA 0.628 4.948 4.320 0.001 0.000 0.319 102 A C -0.045 177.325 177.584 -0.356 0.000 1.110 102 A CA -0.216 51.336 52.037 -0.807 0.000 0.847 102 A CB 0.478 18.647 19.000 -1.386 0.000 1.161 102 A HN 0.146 8.296 8.150 -0.000 0.000 0.497 103 T N 0.667 115.087 114.554 -0.223 0.000 2.791 103 T HA 0.673 5.023 4.350 0.001 0.000 0.288 103 T C 0.020 174.678 174.700 -0.070 0.000 0.999 103 T CA 0.520 62.554 62.100 -0.110 0.000 0.952 103 T CB 0.842 69.674 68.868 -0.060 0.000 0.938 103 T HN 2.126 10.366 8.240 -0.000 0.000 0.444 104 G N 1.934 110.699 108.800 -0.057 0.000 2.525 104 G HA2 0.437 4.398 3.960 0.001 0.000 0.685 104 G HA3 0.437 4.398 3.960 0.001 0.000 0.685 104 G C 0.079 174.965 174.900 -0.024 0.000 1.285 104 G CA -0.373 44.711 45.100 -0.028 0.000 0.849 104 G HN 1.681 9.971 8.290 -0.000 0.000 0.653 105 A N 0.423 123.238 122.820 -0.007 0.000 2.415 105 A HA 0.107 4.427 4.320 0.001 0.000 0.292 105 A C 1.458 179.042 177.584 -0.001 0.000 1.452 105 A CA 1.637 53.675 52.037 0.002 0.000 0.750 105 A CB -1.807 17.200 19.000 0.012 0.000 1.099 105 A HN 2.514 10.664 8.150 -0.000 0.000 0.391 106 L N -2.930 118.290 121.223 -0.004 0.000 3.739 106 L HA -0.281 4.059 4.340 0.001 0.000 0.442 106 L C 1.614 178.477 176.870 -0.012 0.000 1.241 106 L CA 0.838 55.678 54.840 -0.000 0.000 0.819 106 L CB -2.059 40.008 42.059 0.014 0.000 1.679 106 L HN 2.345 10.575 8.230 -0.000 0.000 0.889 107 G N -1.302 107.477 108.800 -0.036 0.000 2.166 107 G HA2 -0.017 3.944 3.960 0.001 0.000 0.260 107 G HA3 -0.017 3.944 3.960 0.001 0.000 0.260 107 G C 1.156 176.037 174.900 -0.032 0.000 0.986 107 G CA 0.828 45.890 45.100 -0.064 0.000 0.683 107 G HN 1.910 10.200 8.290 -0.000 0.000 0.527 108 G N -2.016 106.782 108.800 -0.004 0.000 2.218 108 G HA2 0.111 4.071 3.960 0.001 0.000 0.216 108 G HA3 0.111 4.071 3.960 0.001 0.000 0.216 108 G C 1.944 176.875 174.900 0.052 0.000 0.994 108 G CA 1.040 46.171 45.100 0.051 0.000 0.637 108 G HN 1.836 10.126 8.290 -0.000 0.000 0.505 109 G N 0.854 109.666 108.800 0.020 0.000 2.442 109 G HA2 0.173 4.134 3.960 0.001 0.000 0.219 109 G HA3 0.173 4.134 3.960 0.001 0.000 0.219 109 G C 1.738 176.655 174.900 0.029 0.000 1.141 109 G CA 1.839 46.950 45.100 0.018 0.000 0.763 109 G HN 1.499 9.789 8.290 -0.000 0.000 0.554 110 G N 0.148 108.963 108.800 0.025 0.000 2.534 110 G HA2 0.073 4.034 3.960 0.001 0.000 0.217 110 G HA3 0.073 4.034 3.960 0.001 0.000 0.217 110 G C 1.417 176.335 174.900 0.031 0.000 1.128 110 G CA 0.291 45.406 45.100 0.025 0.000 0.784 110 G HN 0.450 8.740 8.290 -0.000 0.000 0.542 111 L N 0.698 121.945 121.223 0.041 0.000 2.766 111 L HA 0.207 4.547 4.340 0.001 0.000 0.242 111 L C 1.531 178.436 176.870 0.059 0.000 1.136 111 L CA 0.668 55.536 54.840 0.047 0.000 0.933 111 L CB 0.588 42.678 42.059 0.051 0.000 1.241 111 L HN 0.225 8.455 8.230 -0.000 0.000 0.522 112 T N -4.907 109.686 114.554 0.065 0.000 3.288 112 T HA 0.224 4.575 4.350 0.001 0.000 0.293 112 T C 0.282 175.029 174.700 0.078 0.000 1.008 112 T CA -0.425 61.724 62.100 0.081 0.000 0.929 112 T CB -0.056 68.876 68.868 0.107 0.000 1.152 112 T HN 0.066 8.306 8.240 -0.000 0.000 0.517 113 E N 2.588 122.822 120.200 0.057 0.000 2.166 113 E HA 0.363 4.714 4.350 0.001 0.000 0.279 113 E C -0.026 176.604 176.600 0.050 0.000 1.095 113 E CA -0.273 56.155 56.400 0.047 0.000 0.888 113 E CB 0.386 30.101 29.700 0.025 0.000 1.041 113 E HN 0.699 9.059 8.360 -0.000 0.000 0.414 114 I N 0.526 121.136 120.570 0.066 0.000 2.436 114 I HA 0.409 4.579 4.170 0.001 0.000 0.289 114 I C -0.301 175.850 176.117 0.056 0.000 1.010 114 I CA -0.973 60.367 61.300 0.065 0.000 1.098 114 I CB 1.571 39.623 38.000 0.087 0.000 1.266 114 I HN 0.196 8.406 8.210 -0.000 0.000 0.434 115 N N 5.585 124.307 118.700 0.038 0.000 2.408 115 N HA 0.376 5.117 4.740 0.001 0.000 0.260 115 N C -2.577 172.960 175.510 0.044 0.000 1.242 115 N CA -1.299 51.766 53.050 0.025 0.000 0.959 115 N CB 0.552 39.048 38.487 0.016 0.000 1.201 115 N HN 0.432 8.812 8.380 -0.000 0.000 0.511 116 P HA 0.030 4.450 4.420 -0.000 0.000 0.265 116 P C 0.497 177.822 177.300 0.043 0.000 1.193 116 P CA 0.882 64.014 63.100 0.054 0.000 0.765 116 P CB 0.516 32.242 31.700 0.044 0.000 0.823 117 G N 1.601 110.429 108.800 0.046 0.000 2.194 117 G HA2 -0.186 3.775 3.960 0.001 0.000 0.236 117 G HA3 -0.186 3.775 3.960 0.001 0.000 0.236 117 G C -0.008 174.915 174.900 0.039 0.000 0.987 117 G CA -0.292 44.830 45.100 0.038 0.000 0.635 117 G HN 0.541 8.831 8.290 -0.000 0.000 0.520 118 E N 0.142 120.370 120.200 0.047 0.000 2.249 118 E HA 0.670 5.021 4.350 0.001 0.000 0.263 118 E C -0.006 176.628 176.600 0.057 0.000 0.950 118 E CA -0.735 55.693 56.400 0.047 0.000 0.827 118 E CB 1.526 31.254 29.700 0.045 0.000 1.220 118 E HN 0.503 8.863 8.360 -0.000 0.000 0.411 119 K N -0.553 119.880 120.400 0.054 0.000 2.509 119 K HA 0.696 5.016 4.320 0.001 0.000 0.266 119 K C -1.103 175.532 176.600 0.060 0.000 0.987 119 K CA -0.782 55.542 56.287 0.062 0.000 0.868 119 K CB 2.417 34.949 32.500 0.054 0.000 1.421 119 K HN 0.424 8.674 8.250 -0.000 0.000 0.444 120 T N 0.410 115.005 114.554 0.068 0.000 2.853 120 T HA 0.555 4.906 4.350 0.001 0.000 0.311 120 T C -1.707 173.035 174.700 0.069 0.000 1.307 120 T CA -0.828 61.311 62.100 0.065 0.000 1.019 120 T CB 1.060 69.971 68.868 0.073 0.000 1.264 120 T HN 0.579 8.819 8.240 -0.000 0.000 0.497 121 I N 3.634 124.240 120.570 0.060 0.000 2.439 121 I HA 0.497 4.668 4.170 0.001 0.000 0.285 121 I C -1.122 175.034 176.117 0.064 0.000 1.021 121 I CA -0.912 60.423 61.300 0.059 0.000 1.091 121 I CB 1.787 39.808 38.000 0.036 0.000 1.242 121 I HN 0.434 8.644 8.210 -0.000 0.000 0.439 122 L N 7.450 128.725 121.223 0.086 0.000 2.334 122 L HA 0.638 4.978 4.340 0.001 0.000 0.276 122 L C -0.639 176.275 176.870 0.074 0.000 1.014 122 L CA -0.166 54.734 54.840 0.101 0.000 0.815 122 L CB 1.576 43.732 42.059 0.161 0.000 1.268 122 L HN 0.599 8.829 8.230 -0.000 0.000 0.428 123 R N 4.425 124.969 120.500 0.073 0.000 2.561 123 R HA 0.646 4.986 4.340 0.001 0.000 0.297 123 R C -1.871 174.503 176.300 0.124 0.000 0.969 123 R CA -0.559 55.559 56.100 0.030 0.000 0.879 123 R CB 1.298 31.605 30.300 0.012 0.000 1.178 123 R HN 0.691 8.961 8.270 -0.000 0.000 0.445 124 F N 0.703 120.622 119.950 -0.052 0.000 2.626 124 F HA 0.517 5.044 4.527 0.000 0.000 0.311 124 F C -1.339 174.408 175.800 -0.088 0.000 1.088 124 F CA -1.256 56.702 58.000 -0.070 0.000 0.949 124 F CB 1.327 40.218 39.000 -0.181 0.000 1.322 124 F HN 0.288 8.588 8.300 -0.000 0.000 0.461 125 K N 2.141 122.581 120.400 0.066 0.000 2.248 125 K HA 0.685 5.006 4.320 0.001 0.000 0.281 125 K C -0.397 176.151 176.600 -0.086 0.000 1.054 125 K CA -0.567 55.536 56.287 -0.307 0.000 0.903 125 K CB 1.219 33.523 32.500 -0.327 0.000 1.077 125 K HN 0.930 9.180 8.250 -0.000 0.000 0.474 126 A N 4.011 126.690 122.820 -0.235 0.000 2.990 126 A HA 0.058 4.378 4.320 0.001 0.000 0.282 126 A C 1.074 178.617 177.584 -0.069 0.000 1.688 126 A CA -0.241 51.758 52.037 -0.063 0.000 1.391 126 A CB -0.730 18.201 19.000 -0.114 0.000 1.112 126 A HN 0.935 9.085 8.150 -0.000 0.000 0.588 127 T N -1.345 113.179 114.554 -0.050 0.000 3.055 127 T HA 0.063 4.413 4.350 0.001 0.000 0.265 127 T C 0.644 175.355 174.700 0.017 0.000 1.111 127 T CA 0.892 62.971 62.100 -0.034 0.000 1.118 127 T CB -0.193 68.656 68.868 -0.030 0.000 0.909 127 T HN 0.517 8.757 8.240 -0.000 0.000 0.501 128 K N 2.657 123.081 120.400 0.039 0.000 2.323 128 K HA 0.441 4.762 4.320 0.001 0.000 0.259 128 K C -3.008 173.748 176.600 0.260 0.000 0.947 128 K CA -2.485 53.889 56.287 0.145 0.000 0.819 128 K CB 2.151 34.774 32.500 0.205 0.000 1.109 128 K HN 0.097 8.347 8.250 -0.000 0.000 0.429 129 P HA 0.259 4.679 4.420 -0.000 0.000 0.280 129 P C -0.186 177.157 177.300 0.072 0.000 1.244 129 P CA 0.074 63.327 63.100 0.255 0.000 0.784 129 P CB 1.478 33.335 31.700 0.262 0.000 0.913 130 G N 1.272 109.997 108.800 -0.126 0.000 2.369 130 G HA2 0.288 4.249 3.960 0.001 0.000 0.293 130 G HA3 0.288 4.249 3.960 0.001 0.000 0.293 130 G C -1.139 173.353 174.900 -0.679 0.000 1.301 130 G CA -0.354 44.071 45.100 -1.126 0.000 0.913 130 G HN 0.493 8.783 8.290 -0.000 0.000 0.540 131 V N -2.029 117.382 119.914 -0.839 0.000 2.472 131 V HA 0.928 5.049 4.120 0.001 0.000 0.290 131 V C -0.491 175.324 176.094 -0.465 0.000 1.037 131 V CA -0.945 61.138 62.300 -0.362 0.000 0.908 131 V CB 0.918 32.602 31.823 -0.232 0.000 0.985 131 V HN 0.799 8.989 8.190 -0.000 0.000 0.454 132 F N 1.536 121.448 119.950 -0.064 0.000 2.588 132 F HA 0.664 5.191 4.527 0.001 0.000 0.310 132 F C 0.073 175.858 175.800 -0.025 0.000 1.082 132 F CA -1.045 56.959 58.000 0.008 0.000 0.929 132 F CB 2.238 41.285 39.000 0.078 0.000 1.254 132 F HN 0.406 8.706 8.300 -0.000 0.000 0.455 133 V N 2.340 122.334 119.914 0.133 0.000 2.881 133 V HA 0.179 4.300 4.120 0.001 0.000 0.303 133 V C -0.858 175.117 176.094 -0.199 0.000 1.070 133 V CA -0.259 61.965 62.300 -0.126 0.000 1.074 133 V CB 0.983 32.666 31.823 -0.232 0.000 1.012 133 V HN 0.638 8.828 8.190 -0.000 0.000 0.482 134 Y N 2.401 122.541 120.300 -0.266 0.000 2.477 134 Y HA 0.863 5.414 4.550 0.001 0.000 0.347 134 Y C -0.636 175.108 175.900 -0.261 0.000 0.981 134 Y CA -1.512 56.316 58.100 -0.452 0.000 1.033 134 Y CB 1.324 39.302 38.460 -0.802 0.000 1.245 134 Y HN 0.863 9.143 8.280 -0.000 0.000 0.455 135 H N 0.310 119.370 119.070 -0.017 0.000 3.042 135 H HA 0.518 5.075 4.556 0.001 0.000 0.346 135 H C -1.474 174.007 175.328 0.256 0.000 1.294 135 H CA -1.488 54.657 56.048 0.162 0.000 1.141 135 H CB 0.831 30.615 29.762 0.036 0.000 1.872 135 H HN 1.141 9.421 8.280 -0.000 0.000 0.541 136 C N 2.088 121.678 119.300 0.483 0.000 2.605 136 C HA 0.795 5.255 4.460 0.001 0.000 0.404 136 C C 0.656 175.823 174.990 0.297 0.000 1.284 136 C CA 0.639 59.851 59.018 0.323 0.000 2.199 136 C CB -0.959 26.925 27.740 0.241 0.000 2.647 136 C HN 1.033 9.263 8.230 -0.000 0.000 0.604 137 A N 6.295 129.194 122.820 0.131 0.000 3.277 137 A HA 0.533 4.853 4.320 0.001 0.000 0.281 137 A C -2.973 174.611 177.584 -0.001 0.000 1.179 137 A CA -0.680 51.429 52.037 0.120 0.000 0.879 137 A CB 0.225 19.331 19.000 0.176 0.000 1.374 137 A HN 0.719 8.869 8.150 -0.000 0.000 0.590 138 P HA 0.384 4.804 4.420 -0.000 0.000 0.281 138 P C -2.700 174.566 177.300 -0.057 0.000 1.252 138 P CA -1.202 61.812 63.100 -0.143 0.000 0.778 138 P CB 0.254 31.753 31.700 -0.336 0.000 0.895 139 P HA -0.051 4.369 4.420 -0.000 0.000 0.259 139 P C 1.170 178.474 177.300 0.007 0.000 1.163 139 P CA 1.751 64.853 63.100 0.004 0.000 0.760 139 P CB -0.105 31.596 31.700 0.002 0.000 0.762 140 G N 3.270 112.087 108.800 0.029 0.000 2.234 140 G HA2 -0.271 3.690 3.960 0.001 0.000 0.260 140 G HA3 -0.271 3.690 3.960 0.001 0.000 0.260 140 G C 0.530 175.477 174.900 0.078 0.000 0.987 140 G CA 0.093 45.216 45.100 0.039 0.000 0.625 140 G HN 0.490 8.780 8.290 -0.000 0.000 0.532 141 M N 0.821 120.477 119.600 0.094 0.000 2.747 141 M HA 0.331 4.812 4.480 0.001 0.000 0.402 141 M C 1.877 178.322 176.300 0.242 0.000 1.238 141 M CA -0.121 55.316 55.300 0.229 0.000 0.877 141 M CB 0.293 33.045 32.600 0.253 0.000 1.424 141 M HN 0.053 8.343 8.290 -0.000 0.000 0.511 142 V N 2.600 122.608 119.914 0.157 0.000 2.214 142 V HA -0.169 3.952 4.120 0.001 0.000 0.245 142 V C -0.197 176.018 176.094 0.202 0.000 1.047 142 V CA 2.282 64.674 62.300 0.154 0.000 0.998 142 V CB -1.881 30.020 31.823 0.129 0.000 0.633 142 V HN 0.266 8.456 8.190 -0.000 0.000 0.446 143 P HA -0.220 4.200 4.420 -0.000 0.000 0.218 143 P C 1.473 178.923 177.300 0.250 0.000 1.148 143 P CA 1.864 65.050 63.100 0.143 0.000 0.822 143 P CB -0.212 31.527 31.700 0.065 0.000 0.784 144 W N 1.417 122.803 121.300 0.145 0.000 2.335 144 W HA -0.186 4.474 4.660 0.000 0.000 0.311 144 W C 2.518 179.174 176.519 0.228 0.000 1.213 144 W CA 1.671 59.129 57.345 0.188 0.000 1.274 144 W CB -1.382 28.272 29.460 0.324 0.000 1.148 144 W HN 0.119 8.299 8.180 -0.000 0.000 0.498 145 H N -1.519 117.584 119.070 0.055 0.000 2.357 145 H HA -0.132 4.424 4.556 0.001 0.000 0.301 145 H C 2.180 177.483 175.328 -0.042 0.000 1.082 145 H CA 1.877 57.859 56.048 -0.110 0.000 1.342 145 H CB -0.414 29.359 29.762 0.019 0.000 1.389 145 H HN -0.014 8.266 8.280 -0.000 0.000 0.511 146 V N 1.358 121.377 119.914 0.174 0.000 2.343 146 V HA -0.194 3.927 4.120 0.001 0.000 0.247 146 V C 2.598 178.725 176.094 0.056 0.000 1.051 146 V CA 1.714 64.069 62.300 0.092 0.000 1.036 146 V CB -0.460 31.369 31.823 0.010 0.000 0.654 146 V HN 0.384 8.574 8.190 -0.000 0.000 0.451 147 V N -3.057 116.913 119.914 0.094 0.000 3.630 147 V HA 0.164 4.285 4.120 0.001 0.000 0.273 147 V C 1.454 177.681 176.094 0.222 0.000 1.248 147 V CA 1.171 63.562 62.300 0.153 0.000 1.170 147 V CB -0.084 31.901 31.823 0.272 0.000 0.899 147 V HN 0.390 8.580 8.190 -0.000 0.000 0.457 148 S N 0.867 116.616 115.700 0.082 0.000 2.572 148 S HA 0.505 4.975 4.470 0.001 0.000 0.228 148 S C 1.563 176.236 174.600 0.123 0.000 0.963 148 S CA 0.565 58.796 58.200 0.051 0.000 0.939 148 S CB 0.319 63.324 63.200 -0.324 0.000 0.804 148 S HN 1.291 9.601 8.310 -0.000 0.000 0.480 149 G N 1.779 110.653 108.800 0.124 0.000 2.141 149 G HA2 -0.272 3.688 3.960 0.001 0.000 0.242 149 G HA3 -0.272 3.688 3.960 0.001 0.000 0.242 149 G C 0.205 175.121 174.900 0.026 0.000 0.982 149 G CA 0.142 45.288 45.100 0.076 0.000 0.662 149 G HN 0.501 8.791 8.290 -0.000 0.000 0.527 150 M N 1.581 121.177 119.600 -0.008 0.000 3.586 150 M HA 0.421 4.901 4.480 0.001 0.000 0.225 150 M C 0.309 176.767 176.300 0.262 0.000 1.428 150 M CA 0.197 55.476 55.300 -0.036 0.000 1.613 150 M CB -0.650 31.827 32.600 -0.204 0.000 1.063 150 M HN 0.585 8.875 8.290 -0.000 0.000 0.593 151 N N 0.119 118.987 118.700 0.281 0.000 2.710 151 N HA 0.878 5.618 4.740 0.001 0.000 0.257 151 N C -0.811 174.608 175.510 -0.152 0.000 1.327 151 N CA -0.850 52.283 53.050 0.138 0.000 0.861 151 N CB 1.299 39.811 38.487 0.042 0.000 1.532 151 N HN 0.196 8.576 8.380 -0.000 0.000 0.499 152 G N -0.899 107.431 108.800 -0.784 0.000 2.677 152 G HA2 0.903 4.863 3.960 0.001 0.000 0.283 152 G HA3 0.903 4.863 3.960 0.001 0.000 0.283 152 G C -1.778 172.530 174.900 -0.987 0.000 1.221 152 G CA -0.245 44.332 45.100 -0.872 0.000 0.851 152 G HN 1.112 9.402 8.290 -0.000 0.000 0.504 153 A N -1.092 121.230 122.820 -0.831 0.000 2.599 153 A HA 0.843 5.163 4.320 0.001 0.000 0.290 153 A C -1.195 176.321 177.584 -0.113 0.000 1.101 153 A CA -0.059 51.736 52.037 -0.404 0.000 0.674 153 A CB 1.160 19.918 19.000 -0.404 0.000 1.277 153 A HN 2.010 10.160 8.150 -0.000 0.000 0.419 154 I N -2.079 118.520 120.570 0.049 0.000 2.969 154 I HA 0.861 5.032 4.170 0.001 0.000 0.307 154 I C -0.817 175.331 176.117 0.052 0.000 1.149 154 I CA -1.068 60.272 61.300 0.067 0.000 1.008 154 I CB 2.308 40.426 38.000 0.196 0.000 1.232 154 I HN 0.816 9.026 8.210 -0.000 0.000 0.435 155 M N 4.741 124.345 119.600 0.005 0.000 2.253 155 M HA 0.600 5.080 4.480 0.001 0.000 0.314 155 M C -1.957 174.382 176.300 0.065 0.000 1.019 155 M CA -0.678 54.642 55.300 0.032 0.000 0.932 155 M CB 1.942 34.517 32.600 -0.043 0.000 1.606 155 M HN 0.538 8.828 8.290 -0.000 0.000 0.430 156 V N 6.713 126.725 119.914 0.163 0.000 2.294 156 V HA 0.350 4.471 4.120 0.001 0.000 0.272 156 V C -0.063 176.139 176.094 0.180 0.000 1.027 156 V CA -0.572 61.809 62.300 0.136 0.000 0.823 156 V CB 0.810 32.756 31.823 0.204 0.000 1.030 156 V HN 0.840 9.030 8.190 -0.000 0.000 0.457 157 L N 6.925 128.139 121.223 -0.015 0.000 2.436 157 L HA 0.367 4.708 4.340 0.001 0.000 0.265 157 L C -2.104 174.816 176.870 0.083 0.000 1.168 157 L CA -1.544 53.278 54.840 -0.030 0.000 0.815 157 L CB 1.104 42.992 42.059 -0.285 0.000 1.109 157 L HN 0.365 8.595 8.230 -0.000 0.000 0.462 158 P HA 0.092 4.512 4.420 -0.000 0.000 0.272 158 P C -0.062 177.365 177.300 0.211 0.000 1.223 158 P CA -0.416 62.762 63.100 0.129 0.000 0.784 158 P CB 0.508 32.252 31.700 0.074 0.000 0.923 159 R N 2.474 123.077 120.500 0.172 0.000 2.159 159 R HA -0.145 4.195 4.340 0.001 0.000 0.237 159 R C 1.264 177.613 176.300 0.083 0.000 1.131 159 R CA 1.377 57.554 56.100 0.128 0.000 0.982 159 R CB -0.673 29.652 30.300 0.041 0.000 0.868 159 R HN 0.637 8.907 8.270 -0.000 0.000 0.453 160 E N 0.752 121.016 120.200 0.105 0.000 2.419 160 E HA 0.141 4.492 4.350 0.001 0.000 0.190 160 E C 0.533 177.231 176.600 0.164 0.000 1.040 160 E CA 0.447 56.923 56.400 0.126 0.000 0.900 160 E CB -0.068 29.719 29.700 0.145 0.000 1.054 160 E HN 0.245 8.605 8.360 -0.000 0.000 0.462 161 G N 1.209 110.076 108.800 0.111 0.000 2.782 161 G HA2 -0.260 3.700 3.960 0.001 0.000 0.228 161 G HA3 -0.260 3.700 3.960 0.001 0.000 0.228 161 G C -0.405 174.439 174.900 -0.093 0.000 1.372 161 G CA -0.215 44.876 45.100 -0.014 0.000 0.862 161 G HN 0.240 8.530 8.290 -0.000 0.000 0.547 162 L N 0.497 121.560 121.223 -0.267 0.000 2.436 162 L HA 0.636 4.976 4.340 0.001 0.000 0.265 162 L C 0.628 177.256 176.870 -0.404 0.000 1.168 162 L CA -0.367 54.274 54.840 -0.331 0.000 0.815 162 L CB 0.947 42.790 42.059 -0.360 0.000 1.109 162 L HN 0.708 8.938 8.230 -0.000 0.000 0.462 163 H N -1.334 117.676 119.070 -0.099 0.000 2.980 163 H HA 0.298 4.855 4.556 0.001 0.000 0.367 163 H C -0.938 174.375 175.328 -0.026 0.000 1.206 163 H CA -0.997 55.003 56.048 -0.080 0.000 1.126 163 H CB 1.325 31.060 29.762 -0.044 0.000 1.838 163 H HN 0.613 8.893 8.280 -0.000 0.000 0.552 164 D N -0.191 120.179 120.400 -0.049 0.000 2.440 164 D HA 0.160 4.800 4.640 0.001 0.000 0.269 164 D C 1.584 177.913 176.300 0.048 0.000 1.249 164 D CA -0.332 53.598 54.000 -0.117 0.000 1.055 164 D CB 0.023 40.682 40.800 -0.236 0.000 1.104 164 D HN 0.651 9.021 8.370 -0.000 0.000 0.561 165 G N -1.295 107.534 108.800 0.049 0.000 2.559 165 G HA2 -0.179 3.781 3.960 0.001 0.000 0.216 165 G HA3 -0.179 3.781 3.960 0.001 0.000 0.216 165 G C 0.933 175.860 174.900 0.045 0.000 1.126 165 G CA 0.347 45.481 45.100 0.057 0.000 0.778 165 G HN 0.331 8.621 8.290 -0.000 0.000 0.543 166 K N -0.599 119.823 120.400 0.038 0.000 2.373 166 K HA 0.377 4.698 4.320 0.001 0.000 0.202 166 K C 1.445 178.063 176.600 0.030 0.000 1.025 166 K CA 0.410 56.713 56.287 0.028 0.000 1.115 166 K CB 0.711 33.224 32.500 0.022 0.000 0.858 166 K HN 0.182 8.432 8.250 -0.000 0.000 0.525 167 G N 0.734 109.564 108.800 0.050 0.000 2.176 167 G HA2 -0.263 3.697 3.960 0.001 0.000 0.253 167 G HA3 -0.263 3.697 3.960 0.001 0.000 0.253 167 G C -0.237 174.764 174.900 0.169 0.000 0.979 167 G CA -0.157 44.982 45.100 0.066 0.000 0.641 167 G HN 0.104 8.394 8.290 -0.000 0.000 0.530 168 K N 1.085 121.531 120.400 0.077 0.000 2.350 168 K HA 0.615 4.935 4.320 0.001 0.000 0.279 168 K C 0.809 177.366 176.600 -0.072 0.000 1.027 168 K CA 0.374 56.671 56.287 0.016 0.000 0.969 168 K CB 0.979 33.452 32.500 -0.044 0.000 0.954 168 K HN 0.779 9.029 8.250 -0.000 0.000 0.474 169 A N 3.625 126.345 122.820 -0.167 0.000 2.462 169 A HA 0.290 4.610 4.320 0.001 0.000 0.243 169 A C -0.121 177.232 177.584 -0.385 0.000 1.076 169 A CA -0.197 51.574 52.037 -0.443 0.000 0.773 169 A CB -0.022 18.768 19.000 -0.349 0.000 1.010 169 A HN 0.641 8.791 8.150 -0.000 0.000 0.493 170 L N 2.636 123.581 121.223 -0.465 0.000 2.342 170 L HA 0.371 4.711 4.340 0.001 0.000 0.276 170 L C -0.451 176.282 176.870 -0.230 0.000 0.997 170 L CA -0.191 54.337 54.840 -0.520 0.000 0.838 170 L CB 2.001 43.542 42.059 -0.864 0.000 1.224 170 L HN 0.712 8.942 8.230 -0.000 0.000 0.416 171 T N 1.841 116.381 114.554 -0.023 0.000 2.791 171 T HA 0.438 4.789 4.350 0.001 0.000 0.288 171 T C -0.555 174.284 174.700 0.231 0.000 0.999 171 T CA -0.429 61.673 62.100 0.003 0.000 0.952 171 T CB 0.553 69.361 68.868 -0.100 0.000 0.938 171 T HN 0.287 8.527 8.240 -0.000 0.000 0.444 172 Y N 0.768 121.220 120.300 0.254 0.000 2.307 172 Y HA 0.534 5.085 4.550 0.001 0.000 0.324 172 Y C 0.727 176.626 175.900 -0.002 0.000 1.238 172 Y CA -1.185 56.952 58.100 0.061 0.000 1.280 172 Y CB 0.593 39.033 38.460 -0.032 0.000 1.248 172 Y HN 0.413 8.693 8.280 -0.000 0.000 0.508 173 D N 1.028 121.516 120.400 0.148 0.000 2.216 173 D HA 0.055 4.696 4.640 0.001 0.000 0.208 173 D C -0.168 176.209 176.300 0.130 0.000 0.960 173 D CA 1.072 55.124 54.000 0.086 0.000 0.861 173 D CB 0.351 41.182 40.800 0.052 0.000 0.985 173 D HN 0.589 8.959 8.370 -0.000 0.000 0.493 174 K N 0.037 120.527 120.400 0.150 0.000 2.512 174 K HA 0.610 4.930 4.320 0.001 0.000 0.263 174 K C -0.991 175.555 176.600 -0.090 0.000 0.966 174 K CA -0.682 55.620 56.287 0.025 0.000 0.851 174 K CB 3.283 35.745 32.500 -0.062 0.000 1.395 174 K HN -0.131 8.119 8.250 -0.000 0.000 0.440 175 I N 1.339 121.754 120.570 -0.259 0.000 2.619 175 I HA 0.457 4.627 4.170 0.001 0.000 0.292 175 I C -1.856 174.016 176.117 -0.407 0.000 1.100 175 I CA -0.736 60.361 61.300 -0.339 0.000 1.043 175 I CB 1.352 39.143 38.000 -0.348 0.000 1.239 175 I HN 0.571 8.781 8.210 -0.000 0.000 0.420 176 Y N 6.054 126.337 120.300 -0.028 0.000 2.512 176 Y HA 0.439 4.989 4.550 0.001 0.000 0.348 176 Y C -1.207 174.692 175.900 -0.001 0.000 0.990 176 Y CA -0.588 57.480 58.100 -0.052 0.000 1.033 176 Y CB 1.866 40.263 38.460 -0.107 0.000 1.259 176 Y HN 0.420 8.700 8.280 -0.000 0.000 0.461 177 Y N 2.544 122.850 120.300 0.010 0.000 2.345 177 Y HA 0.677 5.228 4.550 0.001 0.000 0.331 177 Y C -1.538 174.274 175.900 -0.147 0.000 0.959 177 Y CA -1.881 56.182 58.100 -0.061 0.000 1.204 177 Y CB 0.868 39.297 38.460 -0.052 0.000 1.135 177 Y HN 0.349 8.629 8.280 -0.000 0.000 0.477 178 V N 6.510 126.133 119.914 -0.484 0.000 2.328 178 V HA 0.549 4.670 4.120 0.001 0.000 0.278 178 V C 0.526 176.052 176.094 -0.947 0.000 1.021 178 V CA -0.459 61.380 62.300 -0.769 0.000 0.838 178 V CB 1.072 32.430 31.823 -0.774 0.000 0.999 178 V HN 0.990 9.180 8.190 -0.000 0.000 0.447 179 G N 3.540 111.765 108.800 -0.958 0.000 2.322 179 G HA2 0.536 4.496 3.960 0.001 0.000 0.309 179 G HA3 0.536 4.496 3.960 0.001 0.000 0.309 179 G C -0.522 174.200 174.900 -0.296 0.000 1.121 179 G CA -0.308 44.437 45.100 -0.592 0.000 0.886 179 G HN 0.713 9.003 8.290 -0.000 0.000 0.447 180 E N 1.320 121.431 120.200 -0.149 0.000 2.175 180 E HA 0.455 4.806 4.350 0.001 0.000 0.278 180 E C -0.778 175.775 176.600 -0.078 0.000 0.969 180 E CA -0.706 55.731 56.400 0.061 0.000 0.796 180 E CB 1.325 31.206 29.700 0.301 0.000 1.104 180 E HN 0.343 8.703 8.360 -0.000 0.000 0.395 181 Q N 3.441 123.123 119.800 -0.196 0.000 2.321 181 Q HA 0.214 4.554 4.340 0.001 0.000 0.270 181 Q C -1.820 173.866 176.000 -0.524 0.000 1.032 181 Q CA -0.826 54.726 55.803 -0.419 0.000 0.784 181 Q CB 1.375 29.707 28.738 -0.677 0.000 1.264 181 Q HN 0.554 8.824 8.270 -0.000 0.000 0.448 182 D N 3.250 123.412 120.400 -0.396 0.000 2.249 182 D HA 0.319 4.960 4.640 0.001 0.000 0.246 182 D C -0.795 175.252 176.300 -0.422 0.000 1.114 182 D CA -0.125 53.668 54.000 -0.346 0.000 0.854 182 D CB 0.479 41.200 40.800 -0.132 0.000 1.132 182 D HN 0.216 8.586 8.370 -0.000 0.000 0.461 183 F N 0.923 120.696 119.950 -0.295 0.000 2.522 183 F HA 0.361 4.888 4.527 0.001 0.000 0.324 183 F C -0.458 175.063 175.800 -0.464 0.000 1.077 183 F CA -1.140 56.737 58.000 -0.205 0.000 0.944 183 F CB 1.562 40.463 39.000 -0.166 0.000 1.175 183 F HN 0.190 8.490 8.300 -0.000 0.000 0.468 184 Y N 1.665 122.135 120.300 0.283 0.000 2.787 184 Y HA 0.480 5.030 4.550 0.001 0.000 0.352 184 Y C -0.588 175.423 175.900 0.185 0.000 1.027 184 Y CA -1.010 57.211 58.100 0.203 0.000 1.219 184 Y CB 0.904 39.455 38.460 0.151 0.000 1.110 184 Y HN 0.145 8.425 8.280 -0.000 0.000 0.614 185 V N 4.398 124.464 119.914 0.254 0.000 2.385 185 V HA 0.309 4.429 4.120 0.001 0.000 0.269 185 V C -2.127 174.196 176.094 0.381 0.000 1.043 185 V CA -2.269 60.172 62.300 0.236 0.000 0.906 185 V CB 0.924 32.745 31.823 -0.005 0.000 0.995 185 V HN 0.403 8.593 8.190 -0.000 0.000 0.467 186 P HA 0.273 4.693 4.420 -0.000 0.000 0.267 186 P C -0.395 177.086 177.300 0.300 0.000 1.200 186 P CA -0.018 63.261 63.100 0.297 0.000 0.772 186 P CB 0.587 32.474 31.700 0.313 0.000 0.855 187 R N 1.188 121.784 120.500 0.160 0.000 2.803 187 R HA 0.417 4.757 4.340 0.001 0.000 0.276 187 R C -0.185 176.122 176.300 0.013 0.000 0.978 187 R CA -0.821 55.295 56.100 0.027 0.000 0.939 187 R CB 1.101 31.332 30.300 -0.116 0.000 1.179 187 R HN 0.486 8.756 8.270 -0.000 0.000 0.472 188 D N -0.059 120.326 120.400 -0.025 0.000 2.451 188 D HA 0.035 4.675 4.640 0.001 0.000 0.259 188 D C 0.465 176.746 176.300 -0.032 0.000 1.201 188 D CA -0.523 53.465 54.000 -0.021 0.000 1.028 188 D CB 0.561 41.342 40.800 -0.031 0.000 1.095 188 D HN 0.304 8.674 8.370 -0.000 0.000 0.539 189 E N -0.420 119.766 120.200 -0.024 0.000 2.273 189 E HA -0.186 4.164 4.350 0.001 0.000 0.198 189 E C 0.546 177.125 176.600 -0.036 0.000 1.002 189 E CA 0.930 57.315 56.400 -0.025 0.000 0.828 189 E CB -0.615 29.075 29.700 -0.017 0.000 0.747 189 E HN 0.543 8.903 8.360 -0.000 0.000 0.491 190 N N -0.513 118.160 118.700 -0.044 0.000 2.314 190 N HA 0.137 4.877 4.740 0.001 0.000 0.200 190 N C 0.774 176.239 175.510 -0.076 0.000 1.135 190 N CA 0.368 53.388 53.050 -0.050 0.000 0.835 190 N CB 0.876 39.338 38.487 -0.043 0.000 0.989 190 N HN 0.188 8.568 8.380 -0.000 0.000 0.478 191 G N 1.560 110.302 108.800 -0.097 0.000 2.148 191 G HA2 -0.352 3.608 3.960 0.001 0.000 0.254 191 G HA3 -0.352 3.608 3.960 0.001 0.000 0.254 191 G C 0.087 174.838 174.900 -0.249 0.000 0.981 191 G CA 0.222 45.227 45.100 -0.158 0.000 0.670 191 G HN 0.432 8.722 8.290 -0.000 0.000 0.528 192 K N 0.206 120.497 120.400 -0.182 0.000 2.172 192 K HA 0.535 4.855 4.320 0.001 0.000 0.276 192 K C 0.067 176.571 176.600 -0.160 0.000 1.013 192 K CA -0.926 55.258 56.287 -0.173 0.000 0.913 192 K CB 0.472 32.929 32.500 -0.072 0.000 1.055 192 K HN 0.145 8.395 8.250 -0.000 0.000 0.461 193 Y N 3.069 123.386 120.300 0.027 0.000 2.526 193 Y HA -0.008 4.543 4.550 0.001 0.000 0.330 193 Y C 0.550 176.454 175.900 0.007 0.000 1.156 193 Y CA 0.107 58.234 58.100 0.045 0.000 1.419 193 Y CB 0.646 39.147 38.460 0.069 0.000 1.250 193 Y HN 0.370 8.650 8.280 -0.000 0.000 0.540 194 K N 4.030 124.532 120.400 0.171 0.000 2.154 194 K HA 0.351 4.671 4.320 0.001 0.000 0.264 194 K C -0.574 175.973 176.600 -0.090 0.000 1.008 194 K CA -0.762 55.500 56.287 -0.042 0.000 0.937 194 K CB 0.887 33.299 32.500 -0.146 0.000 1.002 194 K HN 0.517 8.767 8.250 -0.000 0.000 0.469 195 K N 1.691 121.925 120.400 -0.276 0.000 2.267 195 K HA 0.431 4.751 4.320 0.001 0.000 0.246 195 K C -1.152 175.222 176.600 -0.376 0.000 0.954 195 K CA -0.777 55.428 56.287 -0.137 0.000 0.824 195 K CB 1.349 33.823 32.500 -0.044 0.000 1.167 195 K HN 0.415 8.665 8.250 -0.000 0.000 0.431 196 Y N -0.228 120.171 120.300 0.165 0.000 2.581 196 Y HA 0.169 4.720 4.550 0.001 0.000 0.345 196 Y C 0.181 176.215 175.900 0.223 0.000 1.036 196 Y CA -0.882 57.301 58.100 0.138 0.000 1.042 196 Y CB 1.974 40.461 38.460 0.046 0.000 1.289 196 Y HN 0.582 8.862 8.280 -0.000 0.000 0.471 197 E N 0.630 120.992 120.200 0.270 0.000 2.501 197 E HA 0.560 4.911 4.350 0.001 0.000 0.200 197 E C -0.689 176.020 176.600 0.181 0.000 1.016 197 E CA -0.141 56.391 56.400 0.219 0.000 0.921 197 E CB 0.956 30.731 29.700 0.125 0.000 1.034 197 E HN 0.502 8.862 8.360 -0.000 0.000 0.468 198 A N 0.571 123.419 122.820 0.046 0.000 2.566 198 A HA 0.457 4.778 4.320 0.001 0.000 0.297 198 A C -2.443 174.887 177.584 -0.424 0.000 1.059 198 A CA -1.347 50.645 52.037 -0.075 0.000 0.691 198 A CB 1.197 20.198 19.000 0.002 0.000 1.282 198 A HN -0.138 8.012 8.150 -0.000 0.000 0.401 199 P HA -0.097 4.323 4.420 -0.000 0.000 0.215 199 P C 1.782 179.123 177.300 0.068 0.000 1.157 199 P CA 2.308 65.265 63.100 -0.239 0.000 0.868 199 P CB 0.245 31.939 31.700 -0.010 0.000 0.788 200 G N -0.201 108.669 108.800 0.116 0.000 2.450 200 G HA2 -0.266 3.694 3.960 0.001 0.000 0.220 200 G HA3 -0.266 3.694 3.960 0.001 0.000 0.220 200 G C 1.144 176.028 174.900 -0.026 0.000 1.130 200 G CA 0.958 46.113 45.100 0.091 0.000 0.760 200 G HN 0.184 8.474 8.290 -0.000 0.000 0.557 201 D N 0.722 121.085 120.400 -0.062 0.000 2.218 201 D HA 0.007 4.647 4.640 0.001 0.000 0.204 201 D C 2.538 178.700 176.300 -0.230 0.000 0.976 201 D CA 1.114 55.086 54.000 -0.047 0.000 0.853 201 D CB -0.160 40.688 40.800 0.080 0.000 0.939 201 D HN 0.369 8.739 8.370 -0.000 0.000 0.481 202 A N -0.851 121.667 122.820 -0.503 0.000 2.238 202 A HA 0.012 4.332 4.320 0.001 0.000 0.210 202 A C 1.754 179.131 177.584 -0.345 0.000 1.179 202 A CA -0.145 51.363 52.037 -0.880 0.000 0.827 202 A CB -0.512 17.832 19.000 -1.093 0.000 0.856 202 A HN 0.244 8.394 8.150 -0.000 0.000 0.488 203 Y N 0.965 121.041 120.300 -0.374 0.000 2.030 203 Y HA -0.331 4.219 4.550 0.001 0.000 0.274 203 Y C 2.324 177.972 175.900 -0.421 0.000 1.153 203 Y CA 2.609 60.335 58.100 -0.623 0.000 1.115 203 Y CB -0.187 37.740 38.460 -0.888 0.000 0.969 203 Y HN 0.477 8.757 8.280 -0.000 0.000 0.488 204 E N -0.292 119.754 120.200 -0.255 0.000 2.058 204 E HA -0.268 4.082 4.350 0.001 0.000 0.194 204 E C 1.735 178.207 176.600 -0.214 0.000 0.997 204 E CA 1.764 58.025 56.400 -0.232 0.000 0.801 204 E CB -0.187 29.481 29.700 -0.054 0.000 0.746 204 E HN 0.551 8.911 8.360 -0.000 0.000 0.450 205 D N -0.554 119.769 120.400 -0.129 0.000 2.144 205 D HA -0.104 4.536 4.640 0.001 0.000 0.200 205 D C 1.901 178.169 176.300 -0.052 0.000 0.978 205 D CA 1.409 55.390 54.000 -0.032 0.000 0.833 205 D CB -0.401 40.459 40.800 0.101 0.000 0.961 205 D HN 0.184 8.554 8.370 -0.000 0.000 0.470 206 T N 0.293 114.770 114.554 -0.128 0.000 2.812 206 T HA -0.061 4.290 4.350 0.001 0.000 0.264 206 T C 2.242 176.860 174.700 -0.138 0.000 1.042 206 T CA 0.486 62.556 62.100 -0.051 0.000 1.140 206 T CB -0.230 68.656 68.868 0.029 0.000 0.870 206 T HN -0.033 8.207 8.240 -0.000 0.000 0.445 207 V N 1.752 121.450 119.914 -0.361 0.000 2.392 207 V HA -0.191 3.929 4.120 0.001 0.000 0.249 207 V C 2.496 178.474 176.094 -0.194 0.000 1.059 207 V CA 1.652 63.733 62.300 -0.364 0.000 1.051 207 V CB -0.530 30.951 31.823 -0.571 0.000 0.658 207 V HN 0.458 8.648 8.190 -0.000 0.000 0.455 208 K N -0.079 120.239 120.400 -0.138 0.000 2.057 208 K HA -0.148 4.172 4.320 0.001 0.000 0.207 208 K C 1.998 178.592 176.600 -0.011 0.000 1.049 208 K CA 1.615 57.864 56.287 -0.062 0.000 0.931 208 K CB -0.095 32.386 32.500 -0.033 0.000 0.714 208 K HN 0.362 8.612 8.250 -0.000 0.000 0.440 209 V N 1.376 121.310 119.914 0.033 0.000 2.379 209 V HA -0.235 3.885 4.120 0.001 0.000 0.245 209 V C 2.342 178.507 176.094 0.119 0.000 1.044 209 V CA 1.726 64.104 62.300 0.131 0.000 1.036 209 V CB -0.391 31.575 31.823 0.238 0.000 0.664 209 V HN 0.363 8.553 8.190 -0.000 0.000 0.453 210 M N -0.461 119.095 119.600 -0.074 0.000 2.106 210 M HA -0.215 4.265 4.480 0.001 0.000 0.259 210 M C 2.359 178.529 176.300 -0.217 0.000 1.068 210 M CA 1.898 56.937 55.300 -0.435 0.000 1.100 210 M CB -0.508 31.823 32.600 -0.447 0.000 1.351 210 M HN 0.172 8.462 8.290 -0.000 0.000 0.404 211 R N -0.261 120.173 120.500 -0.111 0.000 2.241 211 R HA -0.096 4.244 4.340 0.001 0.000 0.224 211 R C 2.110 178.404 176.300 -0.010 0.000 1.101 211 R CA 1.676 57.740 56.100 -0.060 0.000 0.995 211 R CB -0.656 29.613 30.300 -0.051 0.000 0.870 211 R HN 0.547 8.817 8.270 -0.000 0.000 0.463 212 T N -1.778 112.794 114.554 0.030 0.000 3.118 212 T HA 0.073 4.423 4.350 0.001 0.000 0.260 212 T C 1.112 175.864 174.700 0.087 0.000 1.139 212 T CA 0.124 62.261 62.100 0.062 0.000 1.085 212 T CB -0.140 68.782 68.868 0.090 0.000 0.934 212 T HN 0.281 8.521 8.240 -0.000 0.000 0.518 213 L N 0.354 121.637 121.223 0.099 0.000 4.179 213 L HA -0.145 4.195 4.340 0.001 0.000 0.418 213 L C -0.506 176.493 176.870 0.216 0.000 1.168 213 L CA 0.648 55.572 54.840 0.140 0.000 0.972 213 L CB -2.805 39.301 42.059 0.077 0.000 2.005 213 L HN 0.398 8.628 8.230 -0.000 0.000 0.935 214 T N 0.662 115.375 114.554 0.265 0.000 2.912 214 T HA 0.420 4.770 4.350 0.001 0.000 0.326 214 T C -2.085 172.692 174.700 0.128 0.000 1.080 214 T CA -0.999 61.201 62.100 0.166 0.000 1.000 214 T CB 1.831 70.761 68.868 0.103 0.000 1.008 214 T HN 0.010 8.250 8.240 -0.000 0.000 0.473 215 P HA 0.137 4.557 4.420 -0.000 0.000 0.272 215 P C 0.998 178.175 177.300 -0.205 0.000 1.223 215 P CA -0.258 62.539 63.100 -0.505 0.000 0.784 215 P CB 0.902 32.238 31.700 -0.607 0.000 0.923 216 T N -1.376 113.098 114.554 -0.134 0.000 3.035 216 T HA 0.036 4.387 4.350 0.001 0.000 0.259 216 T C 0.262 174.800 174.700 -0.270 0.000 1.078 216 T CA 0.807 62.889 62.100 -0.031 0.000 1.132 216 T CB -0.499 68.508 68.868 0.230 0.000 0.900 216 T HN 0.520 8.760 8.240 -0.000 0.000 0.480 217 H N -0.758 118.228 119.070 -0.141 0.000 2.930 217 H HA 0.721 5.278 4.556 0.001 0.000 0.371 217 H C -1.492 173.729 175.328 -0.180 0.000 1.169 217 H CA -0.896 55.081 56.048 -0.119 0.000 1.157 217 H CB 2.300 32.038 29.762 -0.039 0.000 1.789 217 H HN 0.021 8.301 8.280 -0.000 0.000 0.547 218 V N 3.010 122.868 119.914 -0.093 0.000 2.488 218 V HA 0.489 4.609 4.120 0.001 0.000 0.293 218 V C -0.580 175.346 176.094 -0.281 0.000 1.027 218 V CA -0.755 61.418 62.300 -0.211 0.000 0.862 218 V CB 1.335 33.023 31.823 -0.226 0.000 1.008 218 V HN 0.694 8.884 8.190 -0.000 0.000 0.428 219 V N 1.107 120.857 119.914 -0.274 0.000 3.102 219 V HA 0.796 4.917 4.120 0.001 0.000 0.312 219 V C -1.186 174.776 176.094 -0.220 0.000 1.135 219 V CA -0.865 61.258 62.300 -0.296 0.000 1.022 219 V CB 2.521 34.294 31.823 -0.083 0.000 1.056 219 V HN 0.406 8.596 8.190 -0.000 0.000 0.436 220 F N 1.169 121.031 119.950 -0.147 0.000 2.450 220 F HA 0.565 5.092 4.527 0.001 0.000 0.332 220 F C 1.230 176.920 175.800 -0.183 0.000 1.093 220 F CA -0.771 57.113 58.000 -0.193 0.000 1.003 220 F CB 0.647 39.537 39.000 -0.184 0.000 1.151 220 F HN 0.926 9.226 8.300 -0.000 0.000 0.474 221 N N 1.506 120.191 118.700 -0.025 0.000 2.721 221 N HA -0.247 4.493 4.740 0.001 0.000 0.249 221 N C 1.036 176.534 175.510 -0.020 0.000 1.072 221 N CA 0.643 53.643 53.050 -0.083 0.000 0.710 221 N CB -0.669 37.752 38.487 -0.110 0.000 0.993 221 N HN 1.167 9.547 8.380 -0.000 0.000 0.547 222 G N -2.042 106.767 108.800 0.016 0.000 2.205 222 G HA2 -0.066 3.895 3.960 0.001 0.000 0.261 222 G HA3 -0.066 3.895 3.960 0.001 0.000 0.261 222 G C 0.007 174.977 174.900 0.117 0.000 0.980 222 G CA 0.766 45.930 45.100 0.107 0.000 0.632 222 G HN 1.385 9.675 8.290 -0.000 0.000 0.533 223 A N -1.541 121.305 122.820 0.043 0.000 2.597 223 A HA 0.744 5.065 4.320 0.001 0.000 0.292 223 A C -0.212 177.354 177.584 -0.030 0.000 1.057 223 A CA 0.106 52.145 52.037 0.004 0.000 0.674 223 A CB 0.905 19.888 19.000 -0.029 0.000 1.278 223 A HN 1.461 9.611 8.150 -0.000 0.000 0.416 224 V N 1.418 121.312 119.914 -0.034 0.000 2.694 224 V HA 0.391 4.511 4.120 0.001 0.000 0.306 224 V C 1.745 177.802 176.094 -0.062 0.000 1.054 224 V CA 2.043 64.308 62.300 -0.059 0.000 1.161 224 V CB 0.512 32.319 31.823 -0.026 0.000 0.916 224 V HN 2.514 10.704 8.190 -0.000 0.000 0.490 225 G N 3.818 112.565 108.800 -0.088 0.000 2.189 225 G HA2 -0.282 3.679 3.960 0.001 0.000 0.267 225 G HA3 -0.282 3.679 3.960 0.001 0.000 0.267 225 G C 1.050 175.905 174.900 -0.076 0.000 0.975 225 G CA 0.654 45.701 45.100 -0.089 0.000 0.644 225 G HN 1.422 9.712 8.290 -0.000 0.000 0.537 226 A N -0.473 122.312 122.820 -0.060 0.000 1.978 226 A HA 0.254 4.574 4.320 0.001 0.000 0.220 226 A C 1.886 179.422 177.584 -0.079 0.000 1.170 226 A CA 1.688 53.693 52.037 -0.053 0.000 0.636 226 A CB -0.153 18.825 19.000 -0.037 0.000 0.810 226 A HN 0.966 9.116 8.150 -0.000 0.000 0.448 227 L N 0.639 121.805 121.223 -0.095 0.000 3.094 227 L HA 0.212 4.552 4.340 0.001 0.000 0.254 227 L C 0.385 177.149 176.870 -0.177 0.000 1.298 227 L CA 0.006 54.749 54.840 -0.160 0.000 1.050 227 L CB -0.077 41.863 42.059 -0.199 0.000 1.420 227 L HN 0.483 8.713 8.230 -0.000 0.000 0.548 228 T N -4.706 109.755 114.554 -0.156 0.000 2.831 228 T HA 0.791 5.141 4.350 0.001 0.000 0.287 228 T C 0.759 175.434 174.700 -0.041 0.000 1.070 228 T CA 0.041 62.035 62.100 -0.177 0.000 1.010 228 T CB 2.369 71.004 68.868 -0.388 0.000 1.264 228 T HN 0.251 8.491 8.240 -0.000 0.000 0.532 229 G N 1.914 110.749 108.800 0.059 0.000 2.629 229 G HA2 -0.393 3.568 3.960 0.001 0.000 0.313 229 G HA3 -0.393 3.568 3.960 0.001 0.000 0.313 229 G C 0.740 175.666 174.900 0.044 0.000 1.217 229 G CA 1.136 46.275 45.100 0.064 0.000 0.994 229 G HN 1.286 9.576 8.290 -0.000 0.000 0.549 230 D N 0.847 121.264 120.400 0.028 0.000 2.310 230 D HA -0.024 4.616 4.640 0.001 0.000 0.212 230 D C 1.653 177.967 176.300 0.022 0.000 0.965 230 D CA 1.461 55.479 54.000 0.029 0.000 0.879 230 D CB -0.148 40.669 40.800 0.029 0.000 0.921 230 D HN 0.583 8.953 8.370 -0.000 0.000 0.510 231 K N 0.296 120.693 120.400 -0.006 0.000 2.498 231 K HA 0.373 4.693 4.320 0.001 0.000 0.207 231 K C 0.226 176.756 176.600 -0.116 0.000 1.033 231 K CA -0.344 55.922 56.287 -0.034 0.000 1.138 231 K CB 1.166 33.640 32.500 -0.042 0.000 0.860 231 K HN 0.096 8.346 8.250 -0.000 0.000 0.490 232 A N 1.328 124.096 122.820 -0.086 0.000 2.462 232 A HA 0.200 4.521 4.320 0.001 0.000 0.243 232 A C 0.303 177.716 177.584 -0.284 0.000 1.076 232 A CA -0.066 51.882 52.037 -0.148 0.000 0.773 232 A CB 0.080 19.078 19.000 -0.003 0.000 1.010 232 A HN 0.257 8.407 8.150 -0.000 0.000 0.493 233 M N 1.708 120.940 119.600 -0.614 0.000 2.241 233 M HA 0.327 4.808 4.480 0.001 0.000 0.335 233 M C 0.768 176.833 176.300 -0.391 0.000 1.122 233 M CA 0.265 55.031 55.300 -0.890 0.000 1.164 233 M CB 0.965 32.386 32.600 -1.965 0.000 1.459 233 M HN 0.868 9.158 8.290 -0.000 0.000 0.461 234 T N -0.411 114.102 114.554 -0.067 0.000 2.924 234 T HA 0.964 5.314 4.350 0.001 0.000 0.291 234 T C -0.730 174.074 174.700 0.173 0.000 1.045 234 T CA -0.811 61.344 62.100 0.092 0.000 1.015 234 T CB 2.096 71.033 68.868 0.114 0.000 1.103 234 T HN 0.907 9.147 8.240 -0.000 0.000 0.496 235 A N 0.262 123.076 122.820 -0.010 0.000 2.511 235 A HA 0.939 5.260 4.320 0.001 0.000 0.293 235 A C -1.389 176.103 177.584 -0.152 0.000 1.098 235 A CA -0.670 51.303 52.037 -0.107 0.000 0.643 235 A CB 0.623 19.384 19.000 -0.398 0.000 1.302 235 A HN 1.891 10.041 8.150 -0.000 0.000 0.446 236 A N -0.534 122.220 122.820 -0.110 0.000 2.498 236 A HA 0.711 5.031 4.320 0.001 0.000 0.298 236 A C -0.507 177.075 177.584 -0.003 0.000 1.075 236 A CA -0.444 51.567 52.037 -0.043 0.000 0.714 236 A CB 0.999 20.004 19.000 0.008 0.000 1.299 236 A HN 1.783 9.933 8.150 -0.000 0.000 0.407 237 V N 1.441 121.378 119.914 0.039 0.000 2.644 237 V HA 0.354 4.474 4.120 0.001 0.000 0.305 237 V C 1.636 177.762 176.094 0.054 0.000 1.053 237 V CA 2.312 64.658 62.300 0.077 0.000 1.186 237 V CB 0.267 32.131 31.823 0.068 0.000 0.895 237 V HN 2.227 10.417 8.190 -0.000 0.000 0.490 238 G N 3.572 112.401 108.800 0.049 0.000 2.213 238 G HA2 -0.232 3.728 3.960 0.001 0.000 0.236 238 G HA3 -0.232 3.728 3.960 0.001 0.000 0.236 238 G C 0.185 175.101 174.900 0.027 0.000 0.991 238 G CA 0.256 45.368 45.100 0.021 0.000 0.629 238 G HN 0.717 9.007 8.290 -0.000 0.000 0.517 239 E N 1.056 121.291 120.200 0.059 0.000 2.313 239 E HA 0.502 4.852 4.350 0.001 0.000 0.276 239 E C 0.109 176.740 176.600 0.050 0.000 1.031 239 E CA -0.392 56.047 56.400 0.064 0.000 0.857 239 E CB 0.371 30.117 29.700 0.078 0.000 1.040 239 E HN 0.311 8.671 8.360 -0.000 0.000 0.408 240 K N 2.550 122.941 120.400 -0.014 0.000 2.211 240 K HA 0.358 4.678 4.320 0.001 0.000 0.275 240 K C -1.174 175.297 176.600 -0.216 0.000 1.024 240 K CA -0.594 55.578 56.287 -0.191 0.000 0.887 240 K CB 1.618 34.045 32.500 -0.121 0.000 1.084 240 K HN 0.185 8.435 8.250 -0.000 0.000 0.463 241 V N 4.162 123.883 119.914 -0.321 0.000 2.656 241 V HA 0.332 4.453 4.120 0.001 0.000 0.307 241 V C -0.964 174.954 176.094 -0.293 0.000 1.051 241 V CA -1.060 61.149 62.300 -0.152 0.000 0.893 241 V CB 1.730 33.652 31.823 0.166 0.000 0.999 241 V HN 0.558 8.748 8.190 -0.000 0.000 0.426 242 L N 5.981 127.046 121.223 -0.264 0.000 2.282 242 L HA 0.644 4.985 4.340 0.001 0.000 0.288 242 L C -0.613 176.232 176.870 -0.042 0.000 1.033 242 L CA 0.204 54.925 54.840 -0.198 0.000 0.807 242 L CB 1.010 42.768 42.059 -0.502 0.000 1.209 242 L HN 0.558 8.788 8.230 -0.000 0.000 0.423 243 I N 6.128 126.754 120.570 0.093 0.000 2.354 243 I HA 0.336 4.506 4.170 0.001 0.000 0.286 243 I C -0.616 175.638 176.117 0.228 0.000 1.007 243 I CA -0.772 60.627 61.300 0.164 0.000 1.167 243 I CB 1.568 39.664 38.000 0.161 0.000 1.320 243 I HN 0.242 8.452 8.210 -0.000 0.000 0.458 244 V N 5.716 125.755 119.914 0.208 0.000 2.509 244 V HA 0.325 4.445 4.120 0.001 0.000 0.284 244 V C -0.488 175.826 176.094 0.368 0.000 1.047 244 V CA -0.437 62.018 62.300 0.258 0.000 0.952 244 V CB 1.382 33.302 31.823 0.161 0.000 0.988 244 V HN 0.667 8.857 8.190 -0.000 0.000 0.469 245 H N 2.274 121.501 119.070 0.262 0.000 2.771 245 H HA 0.681 5.237 4.556 0.001 0.000 0.361 245 H C -0.436 175.005 175.328 0.188 0.000 1.108 245 H CA -0.178 55.998 56.048 0.213 0.000 1.201 245 H CB 1.767 31.674 29.762 0.242 0.000 1.681 245 H HN 0.817 9.097 8.280 -0.000 0.000 0.534 246 S N 4.351 120.250 115.700 0.332 0.000 2.632 246 S HA 0.493 4.964 4.470 0.001 0.000 0.289 246 S C -1.284 173.423 174.600 0.178 0.000 1.115 246 S CA -0.960 57.383 58.200 0.239 0.000 0.889 246 S CB 2.550 65.865 63.200 0.191 0.000 1.116 246 S HN 0.592 8.902 8.310 -0.000 0.000 0.486 247 Q N 0.249 120.105 119.800 0.095 0.000 2.444 247 Q HA 0.482 4.823 4.340 0.001 0.000 0.239 247 Q C -0.033 175.965 176.000 -0.002 0.000 0.853 247 Q CA -0.272 55.555 55.803 0.039 0.000 0.856 247 Q CB 1.619 30.381 28.738 0.040 0.000 1.413 247 Q HN 0.990 9.260 8.270 -0.000 0.000 0.437 248 A N 3.088 125.886 122.820 -0.037 0.000 2.167 248 A HA -0.023 4.298 4.320 0.001 0.000 0.214 248 A C 1.162 178.695 177.584 -0.085 0.000 1.151 248 A CA 1.556 53.548 52.037 -0.076 0.000 0.735 248 A CB 0.140 19.069 19.000 -0.118 0.000 0.802 248 A HN 0.619 8.769 8.150 -0.000 0.000 0.467 249 N N -1.882 116.791 118.700 -0.045 0.000 2.166 249 N HA 0.145 4.885 4.740 0.001 0.000 0.222 249 N C 0.107 175.624 175.510 0.012 0.000 1.282 249 N CA -0.012 53.025 53.050 -0.022 0.000 0.890 249 N CB 0.549 39.035 38.487 -0.002 0.000 1.114 249 N HN 0.350 8.730 8.380 -0.000 0.000 0.494 250 R N 0.063 120.566 120.500 0.006 0.000 2.707 250 R HA 0.271 4.611 4.340 0.001 0.000 0.272 250 R C -1.504 174.779 176.300 -0.030 0.000 1.011 250 R CA -0.631 55.478 56.100 0.015 0.000 0.893 250 R CB 0.920 31.247 30.300 0.044 0.000 1.233 250 R HN -0.011 8.259 8.270 -0.000 0.000 0.464 251 D N 1.052 121.430 120.400 -0.036 0.000 2.400 251 D HA 0.138 4.779 4.640 0.001 0.000 0.238 251 D C -0.226 175.972 176.300 -0.170 0.000 1.157 251 D CA 0.771 54.674 54.000 -0.163 0.000 0.889 251 D CB 1.450 42.242 40.800 -0.014 0.000 1.199 251 D HN 0.431 8.801 8.370 -0.000 0.000 0.436 252 T N -0.472 113.876 114.554 -0.344 0.000 2.843 252 T HA 0.581 4.931 4.350 0.001 0.000 0.302 252 T C -1.508 173.005 174.700 -0.312 0.000 1.232 252 T CA -0.986 60.977 62.100 -0.228 0.000 1.009 252 T CB 1.023 69.803 68.868 -0.146 0.000 1.254 252 T HN 0.519 8.759 8.240 -0.000 0.000 0.504 253 R N 1.980 122.358 120.500 -0.202 0.000 2.734 253 R HA 0.397 4.737 4.340 0.001 0.000 0.268 253 R C -3.215 172.854 176.300 -0.385 0.000 1.785 253 R CA -1.778 54.222 56.100 -0.167 0.000 1.461 253 R CB 0.700 31.040 30.300 0.066 0.000 1.308 253 R HN 0.312 8.582 8.270 -0.000 0.000 0.586 254 P HA -0.011 4.409 4.420 -0.000 0.000 0.266 254 P C -1.041 175.490 177.300 -1.282 0.000 1.195 254 P CA 0.252 62.697 63.100 -1.092 0.000 0.768 254 P CB 0.406 31.352 31.700 -1.258 0.000 0.838 255 H N 1.991 120.459 119.070 -1.003 0.000 2.947 255 H HA 0.512 5.069 4.556 0.001 0.000 0.354 255 H C -1.765 173.378 175.328 -0.310 0.000 1.085 255 H CA -0.875 54.796 56.048 -0.628 0.000 1.253 255 H CB 0.784 30.449 29.762 -0.161 0.000 1.757 255 H HN 0.161 8.441 8.280 -0.000 0.000 0.523 256 L N 5.221 126.101 121.223 -0.572 0.000 2.270 256 L HA 0.533 4.873 4.340 0.001 0.000 0.286 256 L C 0.306 176.949 176.870 -0.378 0.000 1.059 256 L CA -0.030 54.721 54.840 -0.149 0.000 0.839 256 L CB 0.361 42.392 42.059 -0.046 0.000 1.221 256 L HN 0.864 9.094 8.230 -0.000 0.000 0.431 257 G N 2.943 111.724 108.800 -0.032 0.000 2.299 257 G HA2 0.419 4.380 3.960 0.001 0.000 0.256 257 G HA3 0.419 4.380 3.960 0.001 0.000 0.256 257 G C 0.896 175.845 174.900 0.082 0.000 1.259 257 G CA 0.372 45.544 45.100 0.120 0.000 0.943 257 G HN 1.467 9.757 8.290 -0.000 0.000 0.479 258 G N 0.997 109.794 108.800 -0.004 0.000 2.194 258 G HA2 0.108 4.069 3.960 0.001 0.000 0.236 258 G HA3 0.108 4.069 3.960 0.001 0.000 0.236 258 G C 0.708 175.638 174.900 0.049 0.000 0.987 258 G CA 0.491 45.548 45.100 -0.072 0.000 0.635 258 G HN 1.708 9.998 8.290 -0.000 0.000 0.520 259 G N -1.374 107.376 108.800 -0.084 0.000 3.247 259 G HA2 0.782 4.742 3.960 0.001 0.000 0.226 259 G HA3 0.782 4.742 3.960 0.001 0.000 0.226 259 G C -0.884 173.468 174.900 -0.913 0.000 1.220 259 G CA -0.034 44.855 45.100 -0.352 0.000 0.875 259 G HN 0.670 8.960 8.290 -0.000 0.000 0.606 260 H N -2.496 116.091 119.070 -0.805 0.000 2.933 260 H HA 0.563 5.120 4.556 0.001 0.000 0.310 260 H C -0.116 174.961 175.328 -0.419 0.000 1.351 260 H CA -0.177 55.667 56.048 -0.341 0.000 1.137 260 H CB 1.550 31.262 29.762 -0.083 0.000 1.853 260 H HN 0.802 9.082 8.280 -0.000 0.000 0.539 261 G N 0.228 108.992 108.800 -0.059 0.000 2.655 261 G HA2 0.161 4.122 3.960 0.001 0.000 0.334 261 G HA3 0.161 4.122 3.960 0.001 0.000 0.334 261 G C -0.223 174.565 174.900 -0.187 0.000 1.099 261 G CA -0.386 44.478 45.100 -0.395 0.000 1.075 261 G HN 0.558 8.848 8.290 -0.000 0.000 0.463 262 D N 1.173 121.577 120.400 0.007 0.000 2.104 262 D HA -0.074 4.566 4.640 0.001 0.000 0.194 262 D C -0.116 175.830 176.300 -0.590 0.000 0.994 262 D CA 1.611 55.503 54.000 -0.179 0.000 0.830 262 D CB 0.110 40.913 40.800 0.004 0.000 0.959 262 D HN 0.491 8.861 8.370 -0.000 0.000 0.452 263 Y N -0.922 119.270 120.300 -0.180 0.000 2.373 263 Y HA 0.467 5.017 4.550 0.001 0.000 0.336 263 Y C -0.443 175.130 175.900 -0.546 0.000 0.979 263 Y CA -0.894 56.942 58.100 -0.441 0.000 1.080 263 Y CB 2.328 40.415 38.460 -0.621 0.000 1.190 263 Y HN -0.415 7.865 8.280 -0.000 0.000 0.446 264 V N 2.753 122.367 119.914 -0.499 0.000 2.482 264 V HA 0.216 4.337 4.120 0.001 0.000 0.295 264 V C -1.042 174.863 176.094 -0.315 0.000 1.026 264 V CA -1.143 60.886 62.300 -0.451 0.000 0.856 264 V CB 1.570 33.023 31.823 -0.617 0.000 1.001 264 V HN 0.781 8.971 8.190 -0.000 0.000 0.424 265 W N 4.090 125.395 121.300 0.008 0.000 2.085 265 W HA 0.343 5.004 4.660 0.001 0.000 0.392 265 W C 1.138 177.659 176.519 0.003 0.000 0.862 265 W CA -0.232 57.142 57.345 0.047 0.000 1.542 265 W CB 0.752 30.290 29.460 0.131 0.000 1.672 265 W HN 0.838 9.018 8.180 -0.000 0.000 0.309 266 A N 1.795 124.700 122.820 0.141 0.000 1.940 266 A HA -0.229 4.091 4.320 0.001 0.000 0.219 266 A C 2.116 179.786 177.584 0.143 0.000 1.176 266 A CA 2.465 54.601 52.037 0.164 0.000 0.631 266 A CB -0.644 18.464 19.000 0.181 0.000 0.814 266 A HN 0.475 8.625 8.150 -0.000 0.000 0.446 267 T N -4.461 110.160 114.554 0.112 0.000 3.088 267 T HA 0.359 4.710 4.350 0.001 0.000 0.259 267 T C 1.484 176.155 174.700 -0.048 0.000 1.122 267 T CA 1.133 63.261 62.100 0.048 0.000 1.095 267 T CB -0.130 68.764 68.868 0.043 0.000 0.930 267 T HN 1.740 9.980 8.240 -0.000 0.000 0.508 268 G N 1.424 110.207 108.800 -0.027 0.000 2.162 268 G HA2 -0.215 3.745 3.960 0.001 0.000 0.260 268 G HA3 -0.215 3.745 3.960 0.001 0.000 0.260 268 G C -0.088 174.463 174.900 -0.582 0.000 0.976 268 G CA 0.103 45.063 45.100 -0.233 0.000 0.655 268 G HN 0.607 8.897 8.290 -0.000 0.000 0.533 269 K N 0.067 120.247 120.400 -0.366 0.000 2.265 269 K HA 0.540 4.860 4.320 0.001 0.000 0.267 269 K C 0.751 177.236 176.600 -0.192 0.000 0.994 269 K CA -1.144 54.889 56.287 -0.422 0.000 0.860 269 K CB 0.731 33.109 32.500 -0.203 0.000 1.099 269 K HN 0.148 8.398 8.250 -0.000 0.000 0.448 270 F N 0.640 120.498 119.950 -0.153 0.000 2.451 270 F HA -0.108 4.419 4.527 0.001 0.000 0.299 270 F C 1.392 177.226 175.800 0.057 0.000 1.101 270 F CA 0.284 58.177 58.000 -0.178 0.000 1.436 270 F CB 0.127 38.940 39.000 -0.312 0.000 1.074 270 F HN 0.419 8.719 8.300 -0.000 0.000 0.553 271 N N -0.447 118.376 118.700 0.206 0.000 2.398 271 N HA 0.004 4.744 4.740 0.001 0.000 0.188 271 N C -0.000 175.611 175.510 0.168 0.000 1.122 271 N CA 0.488 53.639 53.050 0.169 0.000 0.866 271 N CB 0.047 38.603 38.487 0.115 0.000 0.970 271 N HN -0.033 8.347 8.380 -0.000 0.000 0.462 272 T N 2.950 117.628 114.554 0.205 0.000 2.743 272 T HA 0.316 4.666 4.350 0.001 0.000 0.292 272 T C -2.496 172.357 174.700 0.254 0.000 0.972 272 T CA -1.331 60.878 62.100 0.181 0.000 0.967 272 T CB 1.813 70.768 68.868 0.145 0.000 0.926 272 T HN -0.050 8.190 8.240 -0.000 0.000 0.459 273 P HA 0.068 4.488 4.420 -0.000 0.000 0.264 273 P C -2.291 175.026 177.300 0.027 0.000 1.179 273 P CA -0.865 62.312 63.100 0.129 0.000 0.763 273 P CB -0.178 31.564 31.700 0.069 0.000 0.806 274 P HA 0.135 4.555 4.420 -0.000 0.000 0.277 274 P C -0.607 176.538 177.300 -0.259 0.000 1.240 274 P CA -0.063 62.750 63.100 -0.477 0.000 0.798 274 P CB 0.828 31.817 31.700 -1.185 0.000 0.979 275 D N 0.061 120.322 120.400 -0.232 0.000 2.358 275 D HA 0.298 4.939 4.640 0.001 0.000 0.244 275 D C 0.146 176.302 176.300 -0.240 0.000 1.163 275 D CA 0.041 53.943 54.000 -0.162 0.000 0.945 275 D CB 1.080 41.822 40.800 -0.097 0.000 1.152 275 D HN 0.204 8.574 8.370 -0.000 0.000 0.451 276 V N -2.602 117.183 119.914 -0.215 0.000 3.040 276 V HA 0.438 4.559 4.120 0.001 0.000 0.312 276 V C -0.491 175.466 176.094 -0.228 0.000 1.115 276 V CA -0.980 61.132 62.300 -0.313 0.000 0.998 276 V CB 2.060 33.662 31.823 -0.367 0.000 1.042 276 V HN 0.503 8.693 8.190 -0.000 0.000 0.433 277 D N 0.247 120.492 120.400 -0.259 0.000 2.772 277 D HA -0.139 4.502 4.640 0.001 0.000 0.233 277 D C 0.215 176.488 176.300 -0.045 0.000 1.143 277 D CA 1.052 54.948 54.000 -0.174 0.000 0.700 277 D CB -0.642 40.052 40.800 -0.177 0.000 1.076 277 D HN 0.798 9.168 8.370 -0.000 0.000 0.430 278 Q N 0.112 119.905 119.800 -0.012 0.000 2.332 278 Q HA 0.109 4.449 4.340 0.001 0.000 0.263 278 Q C 1.765 177.963 176.000 0.330 0.000 0.979 278 Q CA 0.305 56.191 55.803 0.137 0.000 0.885 278 Q CB 0.929 29.727 28.738 0.100 0.000 1.218 278 Q HN 0.609 8.879 8.270 -0.000 0.000 0.405 279 E N 0.786 121.190 120.200 0.340 0.000 2.099 279 E HA 0.057 4.407 4.350 0.001 0.000 0.191 279 E C -0.313 176.557 176.600 0.449 0.000 0.962 279 E CA 0.474 57.093 56.400 0.364 0.000 0.826 279 E CB 0.448 30.294 29.700 0.244 0.000 0.788 279 E HN 0.356 8.716 8.360 -0.000 0.000 0.461 280 T N 1.248 116.003 114.554 0.334 0.000 3.011 280 T HA 0.364 4.715 4.350 0.001 0.000 0.303 280 T C -1.451 173.407 174.700 0.264 0.000 0.997 280 T CA -0.880 61.304 62.100 0.140 0.000 1.007 280 T CB 0.743 69.573 68.868 -0.063 0.000 1.017 280 T HN 0.350 8.590 8.240 -0.000 0.000 0.443 281 W N 2.347 123.692 121.300 0.076 0.000 2.481 281 W HA 0.872 5.532 4.660 0.001 0.000 0.369 281 W C -1.083 175.524 176.519 0.147 0.000 1.235 281 W CA -1.404 55.997 57.345 0.093 0.000 1.344 281 W CB 0.580 30.081 29.460 0.069 0.000 1.360 281 W HN 0.499 8.679 8.180 -0.000 0.000 0.658 282 F N 1.940 122.012 119.950 0.202 0.000 2.518 282 F HA 0.617 5.144 4.527 0.001 0.000 0.323 282 F C -1.081 174.779 175.800 0.099 0.000 1.129 282 F CA -1.706 56.337 58.000 0.072 0.000 0.920 282 F CB 0.964 39.996 39.000 0.054 0.000 1.160 282 F HN 0.236 8.536 8.300 -0.000 0.000 0.440 283 I N 8.316 128.529 120.570 -0.594 0.000 2.410 283 I HA 0.352 4.522 4.170 0.001 0.000 0.286 283 I C -2.387 173.324 176.117 -0.677 0.000 1.009 283 I CA -2.086 58.976 61.300 -0.397 0.000 1.111 283 I CB 2.089 39.983 38.000 -0.177 0.000 1.262 283 I HN 0.366 8.576 8.210 -0.000 0.000 0.443 284 P HA 0.114 4.534 4.420 -0.000 0.000 0.278 284 P C 0.162 177.391 177.300 -0.118 0.000 1.238 284 P CA -0.107 62.834 63.100 -0.264 0.000 0.794 284 P CB 0.896 32.610 31.700 0.024 0.000 0.955 285 G N 0.638 109.397 108.800 -0.069 0.000 2.265 285 G HA2 0.275 4.236 3.960 0.001 0.000 0.240 285 G HA3 0.275 4.236 3.960 0.001 0.000 0.240 285 G C 1.036 175.952 174.900 0.027 0.000 1.270 285 G CA 0.400 45.489 45.100 -0.017 0.000 0.901 285 G HN 0.896 9.186 8.290 -0.000 0.000 0.507 286 G N -0.186 108.641 108.800 0.045 0.000 2.141 286 G HA2 0.274 4.234 3.960 0.001 0.000 0.231 286 G HA3 0.274 4.234 3.960 0.001 0.000 0.231 286 G C 0.338 175.363 174.900 0.209 0.000 0.984 286 G CA 0.725 45.913 45.100 0.147 0.000 0.660 286 G HN 2.096 10.386 8.290 -0.000 0.000 0.525 287 A N -1.177 121.705 122.820 0.103 0.000 2.564 287 A HA 1.125 5.446 4.320 0.001 0.000 0.288 287 A C -0.138 177.477 177.584 0.051 0.000 1.164 287 A CA 0.183 52.277 52.037 0.095 0.000 0.712 287 A CB 1.261 20.293 19.000 0.053 0.000 1.303 287 A HN 2.093 10.243 8.150 -0.000 0.000 0.418 288 A N -0.766 122.067 122.820 0.023 0.000 2.413 288 A HA 0.934 5.255 4.320 0.001 0.000 0.307 288 A C 0.037 177.630 177.584 0.015 0.000 1.087 288 A CA -0.085 51.974 52.037 0.037 0.000 0.750 288 A CB 1.601 20.599 19.000 -0.003 0.000 1.296 288 A HN 2.219 10.369 8.150 -0.000 0.000 0.423 289 G N -1.090 107.776 108.800 0.110 0.000 2.733 289 G HA2 0.837 4.798 3.960 0.001 0.000 0.288 289 G HA3 0.837 4.798 3.960 0.001 0.000 0.288 289 G C -0.944 174.089 174.900 0.222 0.000 1.373 289 G CA -0.082 45.107 45.100 0.148 0.000 0.895 289 G HN 1.864 10.154 8.290 -0.000 0.000 0.479 290 A N -1.004 121.984 122.820 0.281 0.000 2.459 290 A HA 0.901 5.221 4.320 0.001 0.000 0.296 290 A C -0.430 177.375 177.584 0.368 0.000 1.039 290 A CA 0.046 52.295 52.037 0.354 0.000 0.698 290 A CB 1.501 20.730 19.000 0.382 0.000 1.261 290 A HN 2.135 10.285 8.150 -0.000 0.000 0.405 291 A N 1.374 124.336 122.820 0.237 0.000 2.355 291 A HA 0.793 5.114 4.320 0.001 0.000 0.317 291 A C -1.271 176.435 177.584 0.204 0.000 1.094 291 A CA -0.409 51.626 52.037 -0.004 0.000 0.764 291 A CB 0.775 19.517 19.000 -0.429 0.000 1.230 291 A HN 1.423 9.573 8.150 -0.000 0.000 0.448 292 F N 2.503 122.502 119.950 0.081 0.000 2.444 292 F HA 0.672 5.200 4.527 0.001 0.000 0.342 292 F C -1.147 174.744 175.800 0.151 0.000 1.121 292 F CA -0.544 57.562 58.000 0.177 0.000 0.997 292 F CB 1.231 40.401 39.000 0.283 0.000 1.130 292 F HN 0.598 8.898 8.300 -0.000 0.000 0.454 293 Y N 3.411 123.575 120.300 -0.227 0.000 2.504 293 Y HA 0.491 5.041 4.550 0.001 0.000 0.344 293 Y C -1.089 174.601 175.900 -0.351 0.000 1.023 293 Y CA -1.017 56.935 58.100 -0.246 0.000 1.020 293 Y CB 2.081 40.262 38.460 -0.466 0.000 1.282 293 Y HN 0.511 8.791 8.280 -0.000 0.000 0.454 294 T N 6.850 120.909 114.554 -0.825 0.000 2.770 294 T HA 0.382 4.733 4.350 0.001 0.000 0.297 294 T C -0.718 173.364 174.700 -1.030 0.000 0.997 294 T CA -0.293 61.436 62.100 -0.619 0.000 0.949 294 T CB -0.363 68.347 68.868 -0.263 0.000 0.941 294 T HN 0.363 8.603 8.240 -0.000 0.000 0.457 295 F N 2.412 122.025 119.950 -0.562 0.000 2.572 295 F HA 0.115 4.643 4.527 0.001 0.000 0.370 295 F C 1.828 177.502 175.800 -0.209 0.000 1.103 295 F CA 0.279 58.068 58.000 -0.352 0.000 1.286 295 F CB 0.721 39.617 39.000 -0.174 0.000 1.105 295 F HN 0.580 8.880 8.300 -0.000 0.000 0.583 296 Q N 1.103 120.949 119.800 0.077 0.000 2.185 296 Q HA 0.168 4.508 4.340 0.001 0.000 0.234 296 Q C -0.365 175.657 176.000 0.036 0.000 0.819 296 Q CA 0.048 55.866 55.803 0.025 0.000 0.961 296 Q CB 1.162 29.883 28.738 -0.029 0.000 1.140 296 Q HN 0.577 8.847 8.270 -0.000 0.000 0.492 297 Q N 1.108 121.019 119.800 0.185 0.000 2.359 297 Q HA 0.436 4.777 4.340 0.001 0.000 0.274 297 Q C -2.617 173.585 176.000 0.336 0.000 1.074 297 Q CA -1.843 54.018 55.803 0.097 0.000 0.810 297 Q CB 2.788 31.486 28.738 -0.066 0.000 1.342 297 Q HN -0.019 8.251 8.270 -0.000 0.000 0.427 298 P HA 0.560 4.980 4.420 -0.000 0.000 0.278 298 P C -0.028 177.505 177.300 0.388 0.000 1.266 298 P CA 0.216 63.510 63.100 0.323 0.000 0.807 298 P CB 1.282 33.142 31.700 0.267 0.000 1.094 299 G N -0.359 108.625 108.800 0.305 0.000 2.343 299 G HA2 -0.043 3.917 3.960 0.001 0.000 0.562 299 G HA3 -0.043 3.917 3.960 0.001 0.000 0.562 299 G C -1.493 173.554 174.900 0.246 0.000 1.269 299 G CA -0.546 44.688 45.100 0.223 0.000 1.011 299 G HN 0.693 8.983 8.290 -0.000 0.000 0.498 300 I N 0.171 120.810 120.570 0.114 0.000 2.365 300 I HA 0.700 4.871 4.170 0.001 0.000 0.291 300 I C -0.829 175.349 176.117 0.101 0.000 1.004 300 I CA -1.044 60.327 61.300 0.118 0.000 1.311 300 I CB 0.633 38.598 38.000 -0.059 0.000 1.401 300 I HN 0.483 8.693 8.210 -0.000 0.000 0.491 301 Y N 5.737 126.136 120.300 0.165 0.000 2.393 301 Y HA 0.593 5.144 4.550 0.001 0.000 0.341 301 Y C 0.316 176.396 175.900 0.301 0.000 0.988 301 Y CA -0.826 57.423 58.100 0.249 0.000 1.078 301 Y CB 1.998 40.675 38.460 0.361 0.000 1.203 301 Y HN 0.592 8.872 8.280 -0.000 0.000 0.453 302 A N 3.568 126.637 122.820 0.415 0.000 2.252 302 A HA 0.421 4.742 4.320 0.001 0.000 0.309 302 A C -1.690 176.179 177.584 0.476 0.000 1.285 302 A CA -0.462 51.861 52.037 0.477 0.000 0.900 302 A CB -0.270 18.983 19.000 0.422 0.000 1.157 302 A HN 0.689 8.839 8.150 -0.000 0.000 0.536 303 Y N 4.030 124.555 120.300 0.374 0.000 2.353 303 Y HA 0.500 5.050 4.550 0.001 0.000 0.340 303 Y C -0.106 175.957 175.900 0.272 0.000 0.972 303 Y CA -0.467 57.807 58.100 0.291 0.000 1.157 303 Y CB 1.130 39.798 38.460 0.346 0.000 1.157 303 Y HN 0.786 9.066 8.280 -0.000 0.000 0.495 304 V N 3.240 123.059 119.914 -0.158 0.000 3.160 304 V HA 0.550 4.670 4.120 0.001 0.000 0.310 304 V C -0.977 175.017 176.094 -0.167 0.000 1.181 304 V CA -1.266 60.986 62.300 -0.081 0.000 1.047 304 V CB 1.973 33.673 31.823 -0.204 0.000 1.068 304 V HN 0.792 8.982 8.190 -0.000 0.000 0.441 305 N N 1.174 119.830 118.700 -0.074 0.000 2.430 305 N HA 0.141 4.882 4.740 0.001 0.000 0.265 305 N C 0.375 175.800 175.510 -0.141 0.000 1.100 305 N CA 0.057 53.046 53.050 -0.101 0.000 0.961 305 N CB 0.432 38.865 38.487 -0.090 0.000 1.075 305 N HN 0.960 9.340 8.380 -0.000 0.000 0.478 306 H N 3.024 121.994 119.070 -0.167 0.000 2.572 306 H HA 0.012 4.568 4.556 0.001 0.000 0.278 306 H C -0.322 174.954 175.328 -0.087 0.000 1.050 306 H CA 0.155 56.123 56.048 -0.133 0.000 1.168 306 H CB -0.093 29.559 29.762 -0.182 0.000 1.316 306 H HN 0.534 8.814 8.280 -0.000 0.000 0.610 307 N N 1.358 120.054 118.700 -0.008 0.000 2.437 307 N HA -0.008 4.732 4.740 0.001 0.000 0.243 307 N C 1.052 176.517 175.510 -0.076 0.000 1.041 307 N CA -0.222 52.828 53.050 0.000 0.000 0.940 307 N CB 0.459 38.940 38.487 -0.009 0.000 1.133 307 N HN 0.300 8.680 8.380 -0.000 0.000 0.506 308 L N 3.616 124.800 121.223 -0.065 0.000 2.265 308 L HA -0.110 4.231 4.340 0.001 0.000 0.215 308 L C 1.890 178.781 176.870 0.034 0.000 1.117 308 L CA 0.816 55.640 54.840 -0.026 0.000 0.782 308 L CB -0.132 41.950 42.059 0.038 0.000 0.914 308 L HN 0.586 8.816 8.230 -0.000 0.000 0.441 309 I N -0.412 120.156 120.570 -0.004 0.000 2.286 309 I HA -0.214 3.957 4.170 0.001 0.000 0.245 309 I C 2.362 178.438 176.117 -0.067 0.000 1.104 309 I CA 1.165 62.460 61.300 -0.008 0.000 1.397 309 I CB -0.232 37.759 38.000 -0.014 0.000 1.072 309 I HN 0.242 8.452 8.210 -0.000 0.000 0.417 310 E N 1.114 121.251 120.200 -0.104 0.000 2.110 310 E HA -0.186 4.164 4.350 0.001 0.000 0.193 310 E C 2.331 178.771 176.600 -0.266 0.000 0.988 310 E CA 1.251 57.554 56.400 -0.161 0.000 0.804 310 E CB -0.138 29.475 29.700 -0.145 0.000 0.745 310 E HN 0.514 8.874 8.360 -0.000 0.000 0.458 311 A N 0.505 123.123 122.820 -0.336 0.000 1.872 311 A HA -0.088 4.233 4.320 0.001 0.000 0.214 311 A C 1.704 178.870 177.584 -0.697 0.000 1.187 311 A CA 1.067 52.732 52.037 -0.620 0.000 0.614 311 A CB -0.450 18.047 19.000 -0.840 0.000 0.826 311 A HN 0.198 8.348 8.150 -0.000 0.000 0.442 312 F N -1.204 118.670 119.950 -0.127 0.000 2.731 312 F HA 0.188 4.716 4.527 0.001 0.000 0.298 312 F C 2.255 178.004 175.800 -0.086 0.000 1.106 312 F CA 0.305 58.248 58.000 -0.096 0.000 1.329 312 F CB 0.520 39.474 39.000 -0.076 0.000 1.100 312 F HN 0.111 8.411 8.300 -0.000 0.000 0.592 313 E N -0.377 119.841 120.200 0.029 0.000 2.290 313 E HA 0.129 4.479 4.350 0.001 0.000 0.199 313 E C 1.754 178.308 176.600 -0.077 0.000 0.912 313 E CA 0.542 56.937 56.400 -0.009 0.000 0.924 313 E CB 0.154 29.844 29.700 -0.016 0.000 0.901 313 E HN 0.232 8.592 8.360 -0.000 0.000 0.487 314 L N -0.702 120.446 121.223 -0.125 0.000 2.554 314 L HA 0.278 4.618 4.340 0.001 0.000 0.225 314 L C 1.405 178.169 176.870 -0.177 0.000 1.104 314 L CA 1.091 55.830 54.840 -0.169 0.000 0.866 314 L CB 0.303 42.260 42.059 -0.171 0.000 1.047 314 L HN 0.287 8.517 8.230 -0.000 0.000 0.468 315 G N -1.222 107.445 108.800 -0.223 0.000 2.192 315 G HA2 -0.158 3.802 3.960 0.001 0.000 0.193 315 G HA3 -0.158 3.802 3.960 0.001 0.000 0.193 315 G C 0.646 175.255 174.900 -0.486 0.000 0.999 315 G CA -0.063 44.878 45.100 -0.265 0.000 0.659 315 G HN 0.465 8.755 8.290 -0.000 0.000 0.503 316 A N 0.221 122.662 122.820 -0.632 0.000 3.077 316 A HA 0.832 5.152 4.320 0.001 0.000 0.255 316 A C 0.731 177.694 177.584 -1.036 0.000 1.728 316 A CA 1.226 52.584 52.037 -1.132 0.000 1.383 316 A CB -0.688 17.816 19.000 -0.827 0.000 1.097 316 A HN 2.039 10.189 8.150 -0.000 0.000 0.634 317 A N 0.365 122.753 122.820 -0.719 0.000 2.427 317 A HA 0.840 5.160 4.320 0.001 0.000 0.298 317 A C -0.212 177.411 177.584 0.065 0.000 1.036 317 A CA 0.170 52.064 52.037 -0.239 0.000 0.701 317 A CB 1.178 19.908 19.000 -0.450 0.000 1.250 317 A HN 1.698 9.848 8.150 -0.000 0.000 0.412 318 A N 1.552 124.561 122.820 0.315 0.000 2.435 318 A HA 0.915 5.236 4.320 0.001 0.000 0.296 318 A C -0.754 176.953 177.584 0.204 0.000 1.147 318 A CA -0.538 51.597 52.037 0.163 0.000 0.775 318 A CB 1.030 20.129 19.000 0.165 0.000 1.340 318 A HN 0.969 9.119 8.150 -0.000 0.000 0.427 319 H N -1.299 117.775 119.070 0.008 0.000 2.747 319 H HA 0.597 5.153 4.556 0.001 0.000 0.371 319 H C -1.826 173.412 175.328 -0.151 0.000 1.161 319 H CA -0.419 55.664 56.048 0.059 0.000 1.167 319 H CB 2.047 31.846 29.762 0.063 0.000 1.732 319 H HN 0.501 8.781 8.280 -0.000 0.000 0.544 320 F N 1.402 121.472 119.950 0.200 0.000 2.507 320 F HA 0.353 4.881 4.527 0.001 0.000 0.325 320 F C -0.216 175.628 175.800 0.074 0.000 1.116 320 F CA -0.742 57.276 58.000 0.029 0.000 0.930 320 F CB 1.709 40.702 39.000 -0.012 0.000 1.146 320 F HN 0.191 8.491 8.300 -0.000 0.000 0.447 321 K N 3.517 124.004 120.400 0.145 0.000 2.339 321 K HA 0.619 4.939 4.320 0.001 0.000 0.264 321 K C -1.340 175.295 176.600 0.057 0.000 0.986 321 K CA -0.622 55.736 56.287 0.119 0.000 0.866 321 K CB 2.008 34.552 32.500 0.073 0.000 1.103 321 K HN 0.308 8.558 8.250 -0.000 0.000 0.441 322 V N 2.658 122.620 119.914 0.081 0.000 2.459 322 V HA 0.291 4.411 4.120 0.001 0.000 0.295 322 V C 0.384 176.516 176.094 0.063 0.000 1.029 322 V CA -0.823 61.460 62.300 -0.028 0.000 0.874 322 V CB 1.605 33.359 31.823 -0.115 0.000 0.985 322 V HN 0.886 9.076 8.190 -0.000 0.000 0.438 323 T N 1.075 115.648 114.554 0.032 0.000 2.927 323 T HA 0.922 5.272 4.350 0.001 0.000 0.281 323 T C 0.219 174.964 174.700 0.074 0.000 0.998 323 T CA 0.071 62.209 62.100 0.063 0.000 1.019 323 T CB 1.759 70.655 68.868 0.047 0.000 1.061 323 T HN 1.812 10.053 8.240 -0.000 0.000 0.518 324 G N 0.164 109.017 108.800 0.088 0.000 2.343 324 G HA2 0.132 4.092 3.960 0.001 0.000 0.465 324 G HA3 0.132 4.092 3.960 0.001 0.000 0.465 324 G C -1.390 173.582 174.900 0.119 0.000 1.282 324 G CA -1.053 44.100 45.100 0.089 0.000 0.996 324 G HN 0.897 9.187 8.290 -0.000 0.000 0.521 325 E N -0.023 120.240 120.200 0.106 0.000 2.313 325 E HA 0.213 4.564 4.350 0.001 0.000 0.276 325 E C -0.077 176.620 176.600 0.163 0.000 1.031 325 E CA -0.626 55.853 56.400 0.132 0.000 0.857 325 E CB 1.144 30.898 29.700 0.091 0.000 1.040 325 E HN 0.478 8.838 8.360 -0.000 0.000 0.408 326 W N 4.308 125.641 121.300 0.055 0.000 2.190 326 W HA 0.073 4.733 4.660 0.001 0.000 0.330 326 W C -0.414 176.138 176.519 0.055 0.000 1.299 326 W CA -0.172 57.208 57.345 0.059 0.000 1.215 326 W CB 0.790 30.278 29.460 0.047 0.000 1.147 326 W HN 0.418 8.598 8.180 -0.000 0.000 0.563 327 N N 4.383 122.636 118.700 -0.745 0.000 2.546 327 N HA 0.032 4.772 4.740 0.001 0.000 0.238 327 N C 0.336 175.607 175.510 -0.398 0.000 0.984 327 N CA -0.033 52.767 53.050 -0.417 0.000 0.935 327 N CB 0.545 38.826 38.487 -0.344 0.000 1.122 327 N HN 0.402 8.782 8.380 -0.000 0.000 0.510 328 D N 1.404 121.815 120.400 0.018 0.000 2.312 328 D HA -0.143 4.497 4.640 0.001 0.000 0.211 328 D C 0.707 177.063 176.300 0.092 0.000 0.964 328 D CA 0.652 54.771 54.000 0.199 0.000 0.877 328 D CB 0.520 41.472 40.800 0.252 0.000 0.924 328 D HN 0.612 8.982 8.370 -0.000 0.000 0.515 329 D N 1.050 121.462 120.400 0.020 0.000 2.097 329 D HA -0.093 4.547 4.640 0.001 0.000 0.197 329 D C 2.327 178.628 176.300 0.002 0.000 0.984 329 D CA 0.636 54.644 54.000 0.014 0.000 0.826 329 D CB -0.135 40.663 40.800 -0.004 0.000 0.973 329 D HN 0.160 8.530 8.370 -0.000 0.000 0.460 330 L N -1.068 120.124 121.223 -0.051 0.000 2.056 330 L HA 0.032 4.373 4.340 0.001 0.000 0.207 330 L C 1.316 178.187 176.870 0.002 0.000 1.078 330 L CA 0.572 55.382 54.840 -0.050 0.000 0.749 330 L CB -0.086 41.899 42.059 -0.122 0.000 0.901 330 L HN 0.172 8.402 8.230 -0.000 0.000 0.433 331 M N -1.362 118.257 119.600 0.031 0.000 2.365 331 M HA 0.312 4.793 4.480 0.001 0.000 0.288 331 M C -1.430 175.116 176.300 0.411 0.000 1.152 331 M CA -0.130 55.291 55.300 0.202 0.000 0.948 331 M CB 2.360 35.117 32.600 0.262 0.000 1.729 331 M HN -0.231 8.059 8.290 -0.000 0.000 0.487 332 T N 1.339 116.071 114.554 0.297 0.000 2.932 332 T HA 0.402 4.752 4.350 0.001 0.000 0.318 332 T C -1.574 173.207 174.700 0.135 0.000 1.265 332 T CA -0.384 61.876 62.100 0.266 0.000 1.036 332 T CB 1.919 70.913 68.868 0.210 0.000 1.209 332 T HN 0.659 8.899 8.240 -0.000 0.000 0.484 333 S N 3.154 118.890 115.700 0.061 0.000 2.473 333 S HA 0.310 4.780 4.470 0.001 0.000 0.312 333 S C 1.475 176.087 174.600 0.019 0.000 1.087 333 S CA -0.645 57.566 58.200 0.018 0.000 1.077 333 S CB -0.200 62.977 63.200 -0.038 0.000 1.065 333 S HN 0.546 8.856 8.310 -0.000 0.000 0.510 334 V N 4.927 124.860 119.914 0.031 0.000 2.295 334 V HA -0.003 4.118 4.120 0.001 0.000 0.246 334 V C 0.785 176.886 176.094 0.012 0.000 1.049 334 V CA 1.318 63.633 62.300 0.026 0.000 1.024 334 V CB -0.404 31.436 31.823 0.028 0.000 0.648 334 V HN 0.736 8.926 8.190 -0.000 0.000 0.447 335 L N 0.082 121.309 121.223 0.007 0.000 2.406 335 L HA 0.761 5.102 4.340 0.001 0.000 0.270 335 L C -0.034 176.831 176.870 -0.008 0.000 0.982 335 L CA -0.501 54.339 54.840 -0.001 0.000 0.843 335 L CB 0.940 43.000 42.059 0.002 0.000 1.225 335 L HN 0.054 8.284 8.230 -0.000 0.000 0.412 336 A N 5.708 128.517 122.820 -0.017 0.000 2.425 336 A HA 0.580 4.901 4.320 0.001 0.000 0.242 336 A C -2.221 175.351 177.584 -0.021 0.000 1.077 336 A CA -0.943 51.078 52.037 -0.026 0.000 0.781 336 A CB -0.731 18.247 19.000 -0.036 0.000 1.020 336 A HN 0.685 8.835 8.150 -0.000 0.000 0.494 337 P HA 0.078 4.498 4.420 -0.000 0.000 0.258 337 P C -0.445 176.844 177.300 -0.018 0.000 1.172 337 P CA 1.022 64.111 63.100 -0.019 0.000 0.762 337 P CB 0.243 31.928 31.700 -0.024 0.000 0.764 338 S N 1.382 117.074 115.700 -0.013 0.000 2.565 338 S HA 0.702 5.172 4.470 0.001 0.000 0.269 338 S C 0.102 174.697 174.600 -0.010 0.000 1.153 338 S CA -0.811 57.382 58.200 -0.012 0.000 0.835 338 S CB 1.110 64.303 63.200 -0.011 0.000 1.122 338 S HN 0.467 8.777 8.310 -0.000 0.000 0.462 339 G N 0.000 108.795 108.800 -0.009 0.000 5.446 339 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 339 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 339 G CA 0.000 45.096 45.100 -0.008 0.000 0.502 339 G HN 0.000 8.290 8.290 -0.000 0.000 0.925