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 3c5a_1_A DATA FIRST_RESID 26 DATA SEQUENCE TNLVAEPFAK LEQDFGGSIG VYAMDTGSGA TVXSYRAEER FPLcSSFKGF DATA SEQUENCE LAAAVLARSQ QQAGLLDTPI RYGKNALVPW SPISEKYLTT GMTVAELSAA DATA SEQUENCE AVQYSDNAAA NLLLKELGGP AGLTAFMRSI GDTTFRLDRW ELELNSAIPG DATA SEQUENCE DARDTSSPRA VTESLQKLTL GSALAAPQRQ QFVDWLKGNT TGNHRIRAAV DATA SEQUENCE PADWAVGDKT GTcGVYGTAN DYAVVWPXTG RAPIVLAVYT RAPNKDDKHS DATA SEQUENCE EAVIAAAARL ALEGLG 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 26 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 26 T C 0.000 174.732 174.700 0.053 0.000 1.109 26 T CA 0.000 62.127 62.100 0.045 0.000 1.349 26 T CB 0.000 68.891 68.868 0.038 0.000 0.612 27 N N 2.810 121.552 118.700 0.070 0.000 2.696 27 N HA 0.362 5.207 4.740 0.175 0.000 0.246 27 N C 0.808 176.374 175.510 0.093 0.000 1.057 27 N CA -0.686 52.416 53.050 0.086 0.000 0.867 27 N CB 0.434 38.988 38.487 0.112 0.000 1.141 27 N HN 0.578 8.958 8.380 -0.000 0.000 0.517 28 L N 1.519 122.786 121.223 0.073 0.000 2.093 28 L HA -0.074 4.371 4.340 0.175 0.000 0.208 28 L C 1.925 178.842 176.870 0.079 0.000 1.085 28 L CA 0.785 55.663 54.840 0.063 0.000 0.755 28 L CB -0.112 41.973 42.059 0.044 0.000 0.904 28 L HN 0.291 8.521 8.230 -0.000 0.000 0.435 29 V N 0.370 120.343 119.914 0.099 0.000 2.392 29 V HA -0.315 3.910 4.120 0.175 0.000 0.249 29 V C 2.663 178.896 176.094 0.231 0.000 1.059 29 V CA 1.914 64.298 62.300 0.139 0.000 1.051 29 V CB -0.838 31.067 31.823 0.137 0.000 0.658 29 V HN 0.507 8.697 8.190 -0.000 0.000 0.455 30 A N -0.879 122.077 122.820 0.228 0.000 2.067 30 A HA -0.119 4.306 4.320 0.175 0.000 0.217 30 A C 2.110 179.789 177.584 0.158 0.000 1.156 30 A CA 1.045 53.258 52.037 0.294 0.000 0.683 30 A CB -0.326 18.884 19.000 0.350 0.000 0.808 30 A HN 0.610 8.760 8.150 -0.000 0.000 0.455 31 E N 0.002 120.260 120.200 0.097 0.000 2.070 31 E HA -0.185 4.270 4.350 0.175 0.000 0.197 31 E C -0.635 175.936 176.600 -0.048 0.000 1.004 31 E CA 1.592 58.011 56.400 0.032 0.000 0.805 31 E CB -1.015 28.703 29.700 0.029 0.000 0.744 31 E HN 0.486 8.846 8.360 -0.000 0.000 0.451 32 P HA -0.142 4.278 4.420 -0.000 0.000 0.218 32 P C 0.825 177.916 177.300 -0.349 0.000 1.149 32 P CA 1.135 64.085 63.100 -0.250 0.000 0.817 32 P CB -0.082 31.403 31.700 -0.357 0.000 0.785 33 F N 0.029 119.798 119.950 -0.302 0.000 2.163 33 F HA -0.067 4.564 4.527 0.174 0.000 0.297 33 F C 2.508 178.013 175.800 -0.491 0.000 1.094 33 F CA 1.116 58.814 58.000 -0.504 0.000 1.290 33 F CB -1.258 37.161 39.000 -0.968 0.000 1.017 33 F HN -0.120 8.180 8.300 -0.000 0.000 0.483 34 A N 0.202 122.871 122.820 -0.251 0.000 1.902 34 A HA -0.237 4.188 4.320 0.175 0.000 0.217 34 A C 2.254 179.860 177.584 0.036 0.000 1.181 34 A CA 1.890 53.922 52.037 -0.009 0.000 0.623 34 A CB -0.758 18.299 19.000 0.095 0.000 0.818 34 A HN 0.342 8.492 8.150 -0.000 0.000 0.443 35 K N -0.682 119.712 120.400 -0.010 0.000 2.057 35 K HA -0.164 4.261 4.320 0.175 0.000 0.207 35 K C 1.944 178.554 176.600 0.017 0.000 1.049 35 K CA 1.658 57.946 56.287 0.002 0.000 0.931 35 K CB -0.326 32.156 32.500 -0.029 0.000 0.714 35 K HN 0.323 8.573 8.250 -0.000 0.000 0.440 36 L N 2.287 123.500 121.223 -0.017 0.000 2.012 36 L HA -0.204 4.241 4.340 0.175 0.000 0.210 36 L C 2.341 179.282 176.870 0.119 0.000 1.073 36 L CA 2.244 57.091 54.840 0.012 0.000 0.748 36 L CB -0.603 41.423 42.059 -0.055 0.000 0.891 36 L HN 0.404 8.634 8.230 -0.000 0.000 0.431 37 E N -1.487 118.809 120.200 0.160 0.000 2.150 37 E HA -0.269 4.186 4.350 0.175 0.000 0.193 37 E C 1.976 178.747 176.600 0.284 0.000 0.985 37 E CA 1.168 57.750 56.400 0.302 0.000 0.814 37 E CB -0.484 29.427 29.700 0.350 0.000 0.752 37 E HN 0.674 9.034 8.360 -0.000 0.000 0.466 38 Q N 0.669 120.578 119.800 0.181 0.000 2.079 38 Q HA -0.146 4.298 4.340 0.175 0.000 0.200 38 Q C 1.738 177.802 176.000 0.107 0.000 0.974 38 Q CA 1.693 57.573 55.803 0.129 0.000 0.840 38 Q CB 0.058 28.852 28.738 0.094 0.000 0.898 38 Q HN 0.335 8.605 8.270 -0.000 0.000 0.430 39 D N 0.025 120.492 120.400 0.111 0.000 2.144 39 D HA -0.146 4.599 4.640 0.175 0.000 0.199 39 D C 1.446 177.829 176.300 0.138 0.000 0.984 39 D CA 0.757 54.815 54.000 0.096 0.000 0.834 39 D CB -0.194 40.651 40.800 0.076 0.000 0.955 39 D HN 0.160 8.530 8.370 -0.000 0.000 0.465 40 F N 0.773 120.747 119.950 0.039 0.000 2.234 40 F HA 0.065 4.696 4.527 0.173 0.000 0.299 40 F C 1.540 177.375 175.800 0.058 0.000 1.087 40 F CA 1.622 59.651 58.000 0.048 0.000 1.340 40 F CB 0.022 39.064 39.000 0.070 0.000 1.031 40 F HN 0.099 8.399 8.300 -0.000 0.000 0.500 41 G N 0.086 108.832 108.800 -0.091 0.000 2.149 41 G HA2 0.067 4.132 3.960 0.175 0.000 0.235 41 G HA3 0.067 4.132 3.960 0.175 0.000 0.235 41 G C 0.334 175.106 174.900 -0.214 0.000 1.018 41 G CA 0.112 45.103 45.100 -0.182 0.000 0.728 41 G HN 1.085 9.375 8.290 -0.000 0.000 0.508 42 G N -1.531 107.272 108.800 0.004 0.000 2.793 42 G HA2 0.762 4.827 3.960 0.175 0.000 0.248 42 G HA3 0.762 4.827 3.960 0.175 0.000 0.248 42 G C -0.763 174.369 174.900 0.385 0.000 1.198 42 G CA 0.522 45.731 45.100 0.182 0.000 0.865 42 G HN 1.015 9.305 8.290 -0.000 0.000 0.534 43 S N -0.426 115.554 115.700 0.468 0.000 2.500 43 S HA 0.717 5.292 4.470 0.175 0.000 0.301 43 S C -0.712 174.231 174.600 0.572 0.000 1.092 43 S CA -0.301 58.179 58.200 0.468 0.000 1.030 43 S CB 1.354 64.760 63.200 0.344 0.000 1.031 43 S HN 0.468 8.778 8.310 -0.000 0.000 0.483 44 I N 1.788 122.656 120.570 0.497 0.000 2.474 44 I HA 0.594 4.868 4.170 0.175 0.000 0.294 44 I C 0.423 176.740 176.117 0.333 0.000 1.005 44 I CA -0.639 60.853 61.300 0.320 0.000 1.113 44 I CB 2.052 40.183 38.000 0.219 0.000 1.289 44 I HN 0.719 8.929 8.210 -0.000 0.000 0.436 45 G N 5.126 113.867 108.800 -0.099 0.000 2.470 45 G HA2 0.670 4.734 3.960 0.175 0.000 0.320 45 G HA3 0.670 4.734 3.960 0.175 0.000 0.320 45 G C -1.231 173.620 174.900 -0.082 0.000 1.245 45 G CA -0.380 44.639 45.100 -0.135 0.000 0.935 45 G HN 0.338 8.628 8.290 -0.000 0.000 0.476 46 V N 2.185 122.108 119.914 0.016 0.000 2.686 46 V HA 0.556 4.780 4.120 0.175 0.000 0.306 46 V C -1.475 174.673 176.094 0.089 0.000 1.065 46 V CA -0.832 61.480 62.300 0.020 0.000 0.894 46 V CB 1.826 33.579 31.823 -0.116 0.000 1.004 46 V HN 0.780 8.970 8.190 -0.000 0.000 0.424 47 Y N 2.873 123.160 120.300 -0.021 0.000 2.396 47 Y HA 0.779 5.433 4.550 0.174 0.000 0.332 47 Y C -0.304 175.601 175.900 0.007 0.000 1.034 47 Y CA -0.415 57.673 58.100 -0.020 0.000 1.057 47 Y CB 1.904 40.355 38.460 -0.016 0.000 1.220 47 Y HN 0.828 9.108 8.280 -0.000 0.000 0.440 48 A N 6.038 128.603 122.820 -0.426 0.000 2.393 48 A HA 0.782 5.207 4.320 0.175 0.000 0.306 48 A C -1.737 175.579 177.584 -0.446 0.000 1.050 48 A CA -0.712 51.157 52.037 -0.280 0.000 0.724 48 A CB 1.514 20.440 19.000 -0.123 0.000 1.248 48 A HN 0.727 8.877 8.150 -0.000 0.000 0.424 49 M N 2.309 121.755 119.600 -0.257 0.000 2.259 49 M HA 0.445 5.030 4.480 0.175 0.000 0.304 49 M C -1.471 174.754 176.300 -0.125 0.000 1.019 49 M CA -0.488 54.692 55.300 -0.200 0.000 0.922 49 M CB 1.788 34.331 32.600 -0.095 0.000 1.600 49 M HN 0.603 8.893 8.290 -0.000 0.000 0.433 50 D N 2.848 123.184 120.400 -0.108 0.000 2.365 50 D HA 0.178 4.923 4.640 0.175 0.000 0.237 50 D C 0.718 176.970 176.300 -0.079 0.000 1.190 50 D CA 0.202 54.147 54.000 -0.091 0.000 0.867 50 D CB 1.179 41.936 40.800 -0.071 0.000 1.050 50 D HN 0.822 9.192 8.370 -0.000 0.000 0.491 51 T N 0.214 114.714 114.554 -0.090 0.000 3.113 51 T HA 0.049 4.503 4.350 0.175 0.000 0.263 51 T C 1.661 176.329 174.700 -0.053 0.000 1.143 51 T CA 0.652 62.712 62.100 -0.067 0.000 1.090 51 T CB 0.115 68.937 68.868 -0.077 0.000 0.922 51 T HN 0.310 8.550 8.240 -0.000 0.000 0.521 52 G N 1.585 110.349 108.800 -0.059 0.000 2.411 52 G HA2 -0.019 4.046 3.960 0.175 0.000 0.213 52 G HA3 -0.019 4.046 3.960 0.175 0.000 0.213 52 G C 1.796 176.677 174.900 -0.033 0.000 1.166 52 G CA 0.740 45.813 45.100 -0.044 0.000 0.802 52 G HN 0.683 8.973 8.290 -0.000 0.000 0.533 53 S N -1.358 114.321 115.700 -0.035 0.000 2.502 53 S HA 0.383 4.958 4.470 0.175 0.000 0.215 53 S C 1.882 176.468 174.600 -0.023 0.000 1.009 53 S CA 1.080 59.264 58.200 -0.026 0.000 0.908 53 S CB 0.372 63.557 63.200 -0.025 0.000 0.801 53 S HN 1.511 9.821 8.310 -0.000 0.000 0.505 54 G N 1.442 110.225 108.800 -0.029 0.000 2.179 54 G HA2 -0.159 3.906 3.960 0.175 0.000 0.260 54 G HA3 -0.159 3.906 3.960 0.175 0.000 0.260 54 G C 0.365 175.247 174.900 -0.031 0.000 0.977 54 G CA 0.053 45.139 45.100 -0.023 0.000 0.641 54 G HN 1.339 9.629 8.290 -0.000 0.000 0.533 55 A N 0.204 123.000 122.820 -0.039 0.000 2.483 55 A HA 0.652 5.077 4.320 0.175 0.000 0.238 55 A C 0.909 178.439 177.584 -0.089 0.000 1.070 55 A CA 1.628 53.638 52.037 -0.046 0.000 0.770 55 A CB 0.231 19.210 19.000 -0.036 0.000 1.008 55 A HN 1.933 10.084 8.150 -0.000 0.000 0.497 56 T N -1.345 113.145 114.554 -0.106 0.000 2.901 56 T HA 0.737 5.192 4.350 0.175 0.000 0.293 56 T C -0.402 174.198 174.700 -0.167 0.000 1.084 56 T CA -0.625 61.342 62.100 -0.221 0.000 1.008 56 T CB 1.254 69.939 68.868 -0.305 0.000 1.170 56 T HN 0.784 9.024 8.240 -0.000 0.000 0.509 60 Y N 3.256 123.425 120.300 -0.219 0.000 2.331 60 Y HA 0.490 5.145 4.550 0.174 0.000 0.326 60 Y C 0.493 176.361 175.900 -0.053 0.000 1.020 60 Y CA -0.596 57.370 58.100 -0.224 0.000 1.136 60 Y CB 0.831 38.959 38.460 -0.553 0.000 1.157 60 Y HN 0.807 9.087 8.280 -0.000 0.000 0.444 61 R N 2.968 123.125 120.500 -0.572 0.000 3.502 61 R HA -0.279 4.166 4.340 0.175 0.000 0.266 61 R C 0.945 177.236 176.300 -0.016 0.000 1.077 61 R CA 0.724 56.671 56.100 -0.255 0.000 0.718 61 R CB -1.557 28.658 30.300 -0.143 0.000 1.120 61 R HN 0.697 8.967 8.270 -0.000 0.000 0.457 62 A N 0.545 123.348 122.820 -0.029 0.000 2.067 62 A HA -0.139 4.286 4.320 0.175 0.000 0.219 62 A C 1.624 179.178 177.584 -0.049 0.000 1.158 62 A CA 1.230 53.274 52.037 0.011 0.000 0.661 62 A CB -0.008 19.045 19.000 0.088 0.000 0.801 62 A HN 0.556 8.706 8.150 -0.000 0.000 0.452 63 E N -0.146 120.023 120.200 -0.052 0.000 2.498 63 E HA 0.076 4.531 4.350 0.175 0.000 0.203 63 E C -0.362 176.210 176.600 -0.046 0.000 1.013 63 E CA -0.280 56.075 56.400 -0.075 0.000 0.927 63 E CB 0.341 29.985 29.700 -0.093 0.000 1.012 63 E HN 0.670 9.030 8.360 -0.000 0.000 0.482 64 E N 1.520 121.722 120.200 0.003 0.000 2.373 64 E HA 0.185 4.640 4.350 0.175 0.000 0.263 64 E C -0.099 176.479 176.600 -0.036 0.000 1.073 64 E CA -0.124 56.243 56.400 -0.055 0.000 0.894 64 E CB 0.933 30.564 29.700 -0.114 0.000 1.008 64 E HN -0.018 8.342 8.360 -0.000 0.000 0.420 65 R N 1.580 121.974 120.500 -0.175 0.000 2.441 65 R HA 0.350 4.795 4.340 0.175 0.000 0.284 65 R C -0.781 175.326 176.300 -0.322 0.000 1.070 65 R CA 0.042 56.055 56.100 -0.145 0.000 1.047 65 R CB 0.462 30.676 30.300 -0.142 0.000 1.016 65 R HN 0.319 8.589 8.270 -0.000 0.000 0.477 66 F N 2.092 122.004 119.950 -0.063 0.000 2.588 66 F HA 0.364 4.994 4.527 0.172 0.000 0.310 66 F C -2.054 173.788 175.800 0.069 0.000 1.082 66 F CA -2.916 55.112 58.000 0.047 0.000 0.929 66 F CB 1.792 40.893 39.000 0.169 0.000 1.254 66 F HN 0.308 8.608 8.300 -0.000 0.000 0.455 67 P HA 0.144 4.564 4.420 -0.000 0.000 0.265 67 P C 0.698 178.202 177.300 0.341 0.000 1.193 67 P CA 0.219 63.446 63.100 0.213 0.000 0.765 67 P CB 0.687 32.492 31.700 0.175 0.000 0.823 68 L N 2.313 123.695 121.223 0.265 0.000 2.109 68 L HA -0.157 4.287 4.340 0.175 0.000 0.207 68 L C 1.210 178.294 176.870 0.356 0.000 1.086 68 L CA 1.057 56.138 54.840 0.402 0.000 0.760 68 L CB -0.574 41.667 42.059 0.303 0.000 0.910 68 L HN 0.571 8.801 8.230 -0.000 0.000 0.437 69 c N -1.836 116.919 118.600 0.257 0.000 0.168 69 c HA -0.313 4.362 4.570 0.175 0.000 0.017 69 c C 2.298 176.578 174.090 0.317 0.000 0.171 69 c CA 0.200 56.658 56.329 0.214 0.000 0.499 69 c CB -1.692 40.882 42.510 0.107 0.000 3.212 69 c HN 0.487 8.717 8.230 -0.000 0.000 1.118 70 S N 1.142 116.939 115.700 0.161 0.000 2.547 70 S HA -0.096 4.479 4.470 0.175 0.000 0.235 70 S C 1.847 176.444 174.600 -0.005 0.000 0.980 70 S CA 1.335 59.581 58.200 0.076 0.000 0.941 70 S CB -0.414 62.757 63.200 -0.049 0.000 0.763 70 S HN 1.026 9.336 8.310 -0.000 0.000 0.532 71 S N 1.800 117.566 115.700 0.109 0.000 2.442 71 S HA -0.153 4.421 4.470 0.175 0.000 0.236 71 S C 1.668 176.501 174.600 0.390 0.000 1.007 71 S CA 0.872 59.148 58.200 0.127 0.000 0.965 71 S CB -0.923 62.404 63.200 0.212 0.000 0.773 71 S HN 0.706 9.016 8.310 -0.000 0.000 0.504 72 F N 1.923 122.115 119.950 0.403 0.000 2.333 72 F HA 0.184 4.778 4.527 0.111 0.000 0.300 72 F C 1.780 177.824 175.800 0.405 0.000 1.083 72 F CA 0.785 59.114 58.000 0.548 0.000 1.395 72 F CB -0.529 38.724 39.000 0.421 0.000 1.056 72 F HN 0.077 8.377 8.300 -0.000 0.000 0.529 73 K N 0.962 120.941 120.400 -0.702 0.000 2.209 73 K HA -0.010 4.415 4.320 0.175 0.000 0.204 73 K C 2.480 178.994 176.600 -0.143 0.000 1.048 73 K CA 0.976 56.879 56.287 -0.640 0.000 0.940 73 K CB -0.743 31.407 32.500 -0.584 0.000 0.729 73 K HN 0.495 8.745 8.250 -0.000 0.000 0.451 74 G N 0.834 109.637 108.800 0.005 0.000 2.421 74 G HA2 -0.226 3.839 3.960 0.175 0.000 0.216 74 G HA3 -0.226 3.839 3.960 0.175 0.000 0.216 74 G C 1.274 176.261 174.900 0.145 0.000 1.171 74 G CA 0.592 45.810 45.100 0.197 0.000 0.775 74 G HN 0.188 8.478 8.290 -0.000 0.000 0.543 75 F N 0.116 120.250 119.950 0.306 0.000 2.216 75 F HA 0.023 4.652 4.527 0.170 0.000 0.300 75 F C 2.422 178.220 175.800 -0.005 0.000 1.085 75 F CA 0.500 58.567 58.000 0.111 0.000 1.326 75 F CB -0.267 38.785 39.000 0.087 0.000 1.027 75 F HN 0.134 8.434 8.300 -0.000 0.000 0.497 76 L N 0.892 122.247 121.223 0.220 0.000 2.012 76 L HA -0.175 4.270 4.340 0.175 0.000 0.210 76 L C 2.446 179.290 176.870 -0.042 0.000 1.073 76 L CA 2.032 56.933 54.840 0.101 0.000 0.748 76 L CB -1.103 41.030 42.059 0.123 0.000 0.891 76 L HN 0.051 8.281 8.230 -0.000 0.000 0.431 77 A N -0.464 122.338 122.820 -0.030 0.000 1.902 77 A HA -0.115 4.310 4.320 0.175 0.000 0.217 77 A C 2.463 179.987 177.584 -0.100 0.000 1.181 77 A CA 1.910 53.950 52.037 0.006 0.000 0.623 77 A CB -1.247 17.847 19.000 0.157 0.000 0.818 77 A HN 0.624 8.774 8.150 -0.000 0.000 0.443 78 A N -0.126 122.435 122.820 -0.430 0.000 1.908 78 A HA 0.127 4.551 4.320 0.175 0.000 0.218 78 A C 2.500 179.732 177.584 -0.587 0.000 1.181 78 A CA 2.165 53.809 52.037 -0.656 0.000 0.627 78 A CB -1.001 17.521 19.000 -0.798 0.000 0.818 78 A HN 1.084 9.234 8.150 -0.000 0.000 0.445 79 A N -0.652 121.709 122.820 -0.764 0.000 1.933 79 A HA 0.018 4.443 4.320 0.175 0.000 0.218 79 A C 2.223 179.438 177.584 -0.615 0.000 1.175 79 A CA 1.734 52.996 52.037 -1.292 0.000 0.628 79 A CB -0.865 17.589 19.000 -0.911 0.000 0.814 79 A HN 0.382 8.532 8.150 -0.000 0.000 0.444 80 V N 0.044 119.773 119.914 -0.307 0.000 2.343 80 V HA -0.254 3.971 4.120 0.175 0.000 0.247 80 V C 2.561 178.600 176.094 -0.091 0.000 1.051 80 V CA 1.928 64.148 62.300 -0.134 0.000 1.036 80 V CB -0.753 31.050 31.823 -0.033 0.000 0.654 80 V HN 0.571 8.761 8.190 -0.000 0.000 0.451 81 L N 0.031 121.205 121.223 -0.082 0.000 2.042 81 L HA -0.192 4.253 4.340 0.175 0.000 0.210 81 L C 2.740 179.559 176.870 -0.086 0.000 1.076 81 L CA 1.630 56.438 54.840 -0.054 0.000 0.749 81 L CB -0.792 41.222 42.059 -0.074 0.000 0.893 81 L HN 0.368 8.598 8.230 -0.000 0.000 0.432 82 A N 0.039 122.761 122.820 -0.162 0.000 1.883 82 A HA -0.280 4.144 4.320 0.175 0.000 0.217 82 A C 2.419 179.973 177.584 -0.050 0.000 1.186 82 A CA 2.025 54.016 52.037 -0.077 0.000 0.624 82 A CB -0.630 18.334 19.000 -0.059 0.000 0.822 82 A HN 0.372 8.522 8.150 -0.000 0.000 0.444 83 R N 0.252 120.695 120.500 -0.094 0.000 2.096 83 R HA -0.133 4.312 4.340 0.175 0.000 0.235 83 R C 2.368 178.658 176.300 -0.016 0.000 1.127 83 R CA 1.874 57.948 56.100 -0.043 0.000 0.968 83 R CB -0.302 29.967 30.300 -0.053 0.000 0.861 83 R HN 0.649 8.919 8.270 -0.000 0.000 0.440 84 S N -0.164 115.526 115.700 -0.017 0.000 2.474 84 S HA -0.144 4.431 4.470 0.175 0.000 0.235 84 S C 1.691 176.292 174.600 0.003 0.000 0.997 84 S CA 0.823 59.025 58.200 0.003 0.000 0.949 84 S CB -0.069 63.141 63.200 0.017 0.000 0.766 84 S HN 0.477 8.787 8.310 -0.000 0.000 0.517 85 Q N 1.038 120.837 119.800 -0.001 0.000 2.124 85 Q HA -0.185 4.260 4.340 0.175 0.000 0.202 85 Q C 2.287 178.292 176.000 0.008 0.000 0.977 85 Q CA 1.790 57.595 55.803 0.004 0.000 0.850 85 Q CB -0.232 28.512 28.738 0.009 0.000 0.901 85 Q HN 1.007 9.277 8.270 -0.000 0.000 0.429 86 Q N -0.471 119.335 119.800 0.010 0.000 2.352 86 Q HA 0.069 4.514 4.340 0.175 0.000 0.212 86 Q C 0.368 176.375 176.000 0.011 0.000 0.888 86 Q CA 0.053 55.863 55.803 0.012 0.000 0.934 86 Q CB 0.482 29.229 28.738 0.015 0.000 1.093 86 Q HN 0.042 8.312 8.270 -0.000 0.000 0.523 87 Q N 1.318 121.125 119.800 0.011 0.000 2.413 87 Q HA 0.561 5.006 4.340 0.175 0.000 0.258 87 Q C -1.157 174.851 176.000 0.014 0.000 1.037 87 Q CA -0.649 55.161 55.803 0.013 0.000 0.764 87 Q CB 1.342 30.088 28.738 0.014 0.000 1.217 87 Q HN 0.411 8.681 8.270 -0.000 0.000 0.490 88 A N 2.534 125.362 122.820 0.013 0.000 2.545 88 A HA 0.397 4.822 4.320 0.175 0.000 0.253 88 A C 1.243 178.837 177.584 0.016 0.000 1.074 88 A CA 0.964 53.009 52.037 0.013 0.000 0.760 88 A CB -0.492 18.515 19.000 0.011 0.000 1.005 88 A HN 1.282 9.432 8.150 -0.000 0.000 0.506 89 G N 1.427 110.237 108.800 0.017 0.000 2.162 89 G HA2 -0.251 3.814 3.960 0.175 0.000 0.260 89 G HA3 -0.251 3.814 3.960 0.175 0.000 0.260 89 G C 0.771 175.687 174.900 0.027 0.000 0.976 89 G CA 0.720 45.833 45.100 0.021 0.000 0.655 89 G HN 1.526 9.816 8.290 -0.000 0.000 0.533 90 L N -0.115 121.124 121.223 0.027 0.000 2.013 90 L HA 0.095 4.540 4.340 0.175 0.000 0.212 90 L C 2.567 179.464 176.870 0.045 0.000 1.073 90 L CA 2.858 57.718 54.840 0.033 0.000 0.753 90 L CB -0.520 41.556 42.059 0.028 0.000 0.890 90 L HN 0.310 8.540 8.230 -0.000 0.000 0.432 91 L N -0.474 120.783 121.223 0.057 0.000 2.191 91 L HA -0.176 4.268 4.340 0.175 0.000 0.212 91 L C 1.862 178.778 176.870 0.077 0.000 1.103 91 L CA 1.631 56.524 54.840 0.088 0.000 0.769 91 L CB -0.750 41.378 42.059 0.115 0.000 0.908 91 L HN 0.403 8.633 8.230 -0.000 0.000 0.438 92 D N -1.693 118.740 120.400 0.054 0.000 2.340 92 D HA -0.006 4.739 4.640 0.175 0.000 0.220 92 D C 0.407 176.728 176.300 0.035 0.000 1.039 92 D CA 0.255 54.281 54.000 0.043 0.000 0.866 92 D CB 0.056 40.875 40.800 0.033 0.000 0.913 92 D HN 0.266 8.636 8.370 -0.000 0.000 0.523 93 T N 4.087 118.664 114.554 0.037 0.000 2.834 93 T HA 0.156 4.611 4.350 0.175 0.000 0.298 93 T C -2.280 172.442 174.700 0.037 0.000 0.966 93 T CA -1.054 61.067 62.100 0.034 0.000 1.141 93 T CB 1.501 70.390 68.868 0.036 0.000 0.905 93 T HN 0.042 8.282 8.240 -0.000 0.000 0.535 94 P HA 0.279 4.699 4.420 -0.000 0.000 0.276 94 P C -0.832 176.499 177.300 0.051 0.000 1.230 94 P CA -0.485 62.635 63.100 0.034 0.000 0.776 94 P CB 0.626 32.338 31.700 0.020 0.000 0.888 95 I N 4.370 124.991 120.570 0.084 0.000 2.355 95 I HA 0.295 4.570 4.170 0.175 0.000 0.288 95 I C 0.917 177.115 176.117 0.135 0.000 0.999 95 I CA -0.717 60.660 61.300 0.127 0.000 1.163 95 I CB 0.936 39.040 38.000 0.174 0.000 1.316 95 I HN 0.227 8.437 8.210 -0.000 0.000 0.454 96 R N 6.648 127.180 120.500 0.053 0.000 2.522 96 R HA 0.308 4.753 4.340 0.175 0.000 0.290 96 R C -0.679 175.589 176.300 -0.053 0.000 1.216 96 R CA -0.486 55.568 56.100 -0.076 0.000 1.250 96 R CB 0.181 30.443 30.300 -0.064 0.000 1.143 96 R HN 0.464 8.734 8.270 -0.000 0.000 0.553 97 Y N -0.825 119.490 120.300 0.026 0.000 2.326 97 Y HA 0.745 5.429 4.550 0.224 0.000 0.324 97 Y C 0.772 176.684 175.900 0.019 0.000 1.291 97 Y CA -1.250 56.864 58.100 0.024 0.000 1.348 97 Y CB 0.536 39.014 38.460 0.030 0.000 1.294 97 Y HN 0.302 8.582 8.280 -0.000 0.000 0.525 98 G N 0.511 109.410 108.800 0.164 0.000 2.601 98 G HA2 0.363 4.428 3.960 0.175 0.000 0.317 98 G HA3 0.363 4.428 3.960 0.175 0.000 0.317 98 G C -0.068 174.925 174.900 0.155 0.000 1.246 98 G CA -0.943 44.209 45.100 0.087 0.000 1.012 98 G HN 0.828 9.118 8.290 -0.000 0.000 0.494 99 K N -0.587 119.864 120.400 0.085 0.000 2.211 99 K HA -0.128 4.297 4.320 0.175 0.000 0.204 99 K C 1.581 178.219 176.600 0.063 0.000 1.047 99 K CA 1.820 58.154 56.287 0.077 0.000 0.935 99 K CB -0.207 32.314 32.500 0.035 0.000 0.728 99 K HN 0.431 8.681 8.250 -0.000 0.000 0.452 100 N N 0.441 119.172 118.700 0.051 0.000 2.453 100 N HA -0.076 4.768 4.740 0.175 0.000 0.183 100 N C 1.215 176.742 175.510 0.029 0.000 1.041 100 N CA 0.951 54.017 53.050 0.027 0.000 0.900 100 N CB 0.010 38.506 38.487 0.014 0.000 0.961 100 N HN 0.467 8.847 8.380 -0.000 0.000 0.443 101 A N 0.586 123.446 122.820 0.066 0.000 2.169 101 A HA 0.176 4.601 4.320 0.175 0.000 0.212 101 A C 1.058 178.649 177.584 0.012 0.000 1.153 101 A CA -0.095 51.967 52.037 0.041 0.000 0.756 101 A CB 0.011 19.055 19.000 0.073 0.000 0.813 101 A HN 0.189 8.339 8.150 -0.000 0.000 0.471 102 L N 0.405 121.650 121.223 0.036 0.000 2.417 102 L HA 0.407 4.851 4.340 0.175 0.000 0.268 102 L C -0.534 176.341 176.870 0.009 0.000 1.158 102 L CA -0.357 54.495 54.840 0.020 0.000 0.819 102 L CB 1.259 43.343 42.059 0.042 0.000 1.112 102 L HN 0.012 8.242 8.230 -0.000 0.000 0.458 103 V N 1.635 121.556 119.914 0.012 0.000 3.007 103 V HA 0.371 4.595 4.120 0.175 0.000 0.311 103 V C -2.319 173.770 176.094 -0.008 0.000 1.120 103 V CA -1.744 60.568 62.300 0.021 0.000 0.980 103 V CB 2.161 34.031 31.823 0.079 0.000 1.033 103 V HN 0.603 8.793 8.190 -0.000 0.000 0.429 104 P HA -0.017 4.403 4.420 -0.000 0.000 0.266 104 P C -0.375 176.900 177.300 -0.041 0.000 1.193 104 P CA 0.277 63.211 63.100 -0.277 0.000 0.770 104 P CB 0.114 31.463 31.700 -0.585 0.000 0.836 105 W N -0.003 121.317 121.300 0.033 0.000 5.820 105 W HA -0.145 4.580 4.660 0.108 0.000 0.415 105 W C -0.716 175.823 176.519 0.034 0.000 1.627 105 W CA 0.419 57.786 57.345 0.037 0.000 0.991 105 W CB -2.731 26.755 29.460 0.044 0.000 2.842 105 W HN 0.232 8.412 8.180 -0.000 0.000 1.416 106 S N 0.536 116.333 115.700 0.162 0.000 2.272 106 S HA 0.180 4.755 4.470 0.175 0.000 0.207 106 S C -0.437 174.201 174.600 0.064 0.000 1.336 106 S CA -0.636 57.624 58.200 0.100 0.000 1.259 106 S CB 1.020 64.251 63.200 0.052 0.000 1.130 106 S HN 0.070 8.380 8.310 -0.000 0.000 0.444 107 P HA -0.052 4.368 4.420 -0.000 0.000 0.218 107 P C 1.210 178.488 177.300 -0.038 0.000 1.149 107 P CA 0.801 63.910 63.100 0.014 0.000 0.817 107 P CB 0.045 31.759 31.700 0.023 0.000 0.785 108 I N -0.137 120.411 120.570 -0.037 0.000 2.277 108 I HA -0.075 4.200 4.170 0.175 0.000 0.243 108 I C 2.406 178.615 176.117 0.153 0.000 1.094 108 I CA 1.123 62.433 61.300 0.017 0.000 1.393 108 I CB -1.939 36.043 38.000 -0.030 0.000 1.078 108 I HN -0.056 8.154 8.210 -0.000 0.000 0.417 109 S N 0.655 116.410 115.700 0.091 0.000 2.368 109 S HA -0.193 4.381 4.470 0.175 0.000 0.225 109 S C 1.941 176.675 174.600 0.223 0.000 1.030 109 S CA 1.283 59.552 58.200 0.114 0.000 0.999 109 S CB -0.203 62.926 63.200 -0.117 0.000 0.844 109 S HN 0.441 8.751 8.310 -0.000 0.000 0.459 110 E N 1.730 121.994 120.200 0.106 0.000 2.077 110 E HA -0.178 4.276 4.350 0.175 0.000 0.193 110 E C 2.068 178.677 176.600 0.016 0.000 0.989 110 E CA 1.128 57.573 56.400 0.075 0.000 0.800 110 E CB -0.201 29.511 29.700 0.020 0.000 0.746 110 E HN 0.490 8.850 8.360 -0.000 0.000 0.452 111 K N -0.639 119.721 120.400 -0.067 0.000 2.103 111 K HA -0.170 4.255 4.320 0.175 0.000 0.207 111 K C 1.242 177.596 176.600 -0.410 0.000 1.048 111 K CA 1.427 57.539 56.287 -0.291 0.000 0.930 111 K CB -0.172 32.055 32.500 -0.456 0.000 0.716 111 K HN 0.156 8.406 8.250 -0.000 0.000 0.444 112 Y N 0.290 120.627 120.300 0.062 0.000 2.571 112 Y HA 0.079 4.729 4.550 0.165 0.000 0.275 112 Y C 1.223 177.132 175.900 0.014 0.000 1.179 112 Y CA -0.609 57.524 58.100 0.055 0.000 1.242 112 Y CB 0.383 38.892 38.460 0.081 0.000 1.126 112 Y HN 0.066 8.346 8.280 -0.000 0.000 0.524 113 L N 0.764 122.048 121.223 0.101 0.000 2.043 113 L HA -0.231 4.214 4.340 0.175 0.000 0.212 113 L C 2.381 179.147 176.870 -0.172 0.000 1.075 113 L CA 2.680 57.487 54.840 -0.055 0.000 0.752 113 L CB -0.935 41.153 42.059 0.047 0.000 0.891 113 L HN 0.368 8.598 8.230 -0.000 0.000 0.432 114 T N -5.435 109.071 114.554 -0.080 0.000 3.113 114 T HA -0.027 4.428 4.350 0.175 0.000 0.256 114 T C 1.399 176.064 174.700 -0.058 0.000 1.131 114 T CA 0.974 63.030 62.100 -0.073 0.000 1.074 114 T CB -0.723 68.117 68.868 -0.048 0.000 0.944 114 T HN 0.588 8.828 8.240 -0.000 0.000 0.516 115 T N -2.743 111.794 114.554 -0.028 0.000 2.955 115 T HA 0.547 5.002 4.350 0.175 0.000 0.251 115 T C 1.223 175.908 174.700 -0.025 0.000 1.002 115 T CA 0.347 62.454 62.100 0.011 0.000 0.970 115 T CB 0.021 68.957 68.868 0.113 0.000 1.091 115 T HN 1.115 9.355 8.240 -0.000 0.000 0.495 116 G N 1.290 110.035 108.800 -0.091 0.000 2.746 116 G HA2 0.062 4.127 3.960 0.175 0.000 0.685 116 G HA3 0.062 4.127 3.960 0.175 0.000 0.685 116 G C -0.919 174.019 174.900 0.063 0.000 1.350 116 G CA -0.448 44.592 45.100 -0.099 0.000 0.837 116 G HN 0.615 8.905 8.290 -0.000 0.000 0.564 117 M N 0.616 120.303 119.600 0.144 0.000 2.484 117 M HA 0.496 5.081 4.480 0.175 0.000 0.289 117 M C 0.701 177.035 176.300 0.055 0.000 1.206 117 M CA -0.434 54.907 55.300 0.068 0.000 0.892 117 M CB 2.651 35.319 32.600 0.115 0.000 1.712 117 M HN 1.126 9.416 8.290 -0.000 0.000 0.462 118 T N -1.157 113.399 114.554 0.002 0.000 2.813 118 T HA 0.259 4.714 4.350 0.175 0.000 0.297 118 T C 1.124 175.836 174.700 0.021 0.000 1.036 118 T CA -0.827 61.285 62.100 0.020 0.000 1.044 118 T CB 0.808 69.687 68.868 0.019 0.000 0.993 118 T HN 0.418 8.658 8.240 -0.000 0.000 0.535 119 V N 1.956 121.891 119.914 0.036 0.000 2.324 119 V HA -0.193 4.032 4.120 0.175 0.000 0.250 119 V C 3.084 179.190 176.094 0.019 0.000 1.060 119 V CA 2.446 64.764 62.300 0.030 0.000 1.042 119 V CB -1.686 30.166 31.823 0.048 0.000 0.650 119 V HN 1.089 9.279 8.190 -0.000 0.000 0.450 120 A N -0.513 122.357 122.820 0.083 0.000 1.902 120 A HA -0.248 4.177 4.320 0.175 0.000 0.217 120 A C 2.170 179.727 177.584 -0.045 0.000 1.181 120 A CA 1.925 54.063 52.037 0.170 0.000 0.623 120 A CB -0.451 18.738 19.000 0.314 0.000 0.818 120 A HN 0.638 8.788 8.150 -0.000 0.000 0.443 121 E N -0.215 119.957 120.200 -0.046 0.000 2.106 121 E HA -0.105 4.350 4.350 0.175 0.000 0.192 121 E C 1.925 178.426 176.600 -0.166 0.000 0.984 121 E CA 1.015 57.347 56.400 -0.113 0.000 0.806 121 E CB -0.267 29.359 29.700 -0.123 0.000 0.750 121 E HN 0.619 8.979 8.360 -0.000 0.000 0.458 122 L N 0.657 121.801 121.223 -0.132 0.000 2.046 122 L HA -0.192 4.252 4.340 0.175 0.000 0.208 122 L C 2.504 179.235 176.870 -0.232 0.000 1.077 122 L CA 0.912 55.669 54.840 -0.138 0.000 0.747 122 L CB -0.296 41.710 42.059 -0.088 0.000 0.896 122 L HN 0.060 8.290 8.230 -0.000 0.000 0.432 123 S N -0.086 115.402 115.700 -0.353 0.000 2.356 123 S HA -0.173 4.402 4.470 0.175 0.000 0.223 123 S C 2.216 176.312 174.600 -0.839 0.000 1.032 123 S CA 1.218 59.068 58.200 -0.583 0.000 1.005 123 S CB -0.362 62.374 63.200 -0.772 0.000 0.867 123 S HN 0.497 8.807 8.310 -0.000 0.000 0.449 124 A N 1.595 123.779 122.820 -1.059 0.000 1.933 124 A HA 0.077 4.502 4.320 0.175 0.000 0.218 124 A C 2.347 179.742 177.584 -0.314 0.000 1.175 124 A CA 1.755 53.267 52.037 -0.874 0.000 0.628 124 A CB -1.070 17.567 19.000 -0.605 0.000 0.814 124 A HN 0.516 8.666 8.150 -0.000 0.000 0.444 125 A N -0.149 122.558 122.820 -0.187 0.000 1.902 125 A HA 0.170 4.595 4.320 0.175 0.000 0.217 125 A C 2.511 180.087 177.584 -0.013 0.000 1.181 125 A CA 2.055 54.092 52.037 -0.000 0.000 0.623 125 A CB -1.022 17.964 19.000 -0.023 0.000 0.818 125 A HN 1.062 9.212 8.150 -0.000 0.000 0.443 126 A N -0.631 122.119 122.820 -0.117 0.000 1.902 126 A HA -0.008 4.417 4.320 0.175 0.000 0.217 126 A C 2.236 179.738 177.584 -0.136 0.000 1.181 126 A CA 1.912 53.877 52.037 -0.120 0.000 0.623 126 A CB -0.839 18.068 19.000 -0.156 0.000 0.818 126 A HN 0.389 8.539 8.150 -0.000 0.000 0.443 127 V N -0.473 119.344 119.914 -0.162 0.000 2.323 127 V HA -0.225 3.999 4.120 0.175 0.000 0.244 127 V C 2.463 178.480 176.094 -0.128 0.000 1.041 127 V CA 2.142 64.370 62.300 -0.120 0.000 1.025 127 V CB -0.704 31.087 31.823 -0.054 0.000 0.656 127 V HN 0.656 8.846 8.190 -0.000 0.000 0.451 128 Q N -2.102 117.622 119.800 -0.126 0.000 2.391 128 Q HA 0.081 4.525 4.340 0.175 0.000 0.211 128 Q C 1.065 176.784 176.000 -0.468 0.000 0.908 128 Q CA 0.805 56.461 55.803 -0.245 0.000 0.920 128 Q CB 0.382 28.997 28.738 -0.206 0.000 1.056 128 Q HN 0.734 9.004 8.270 -0.000 0.000 0.523 129 Y N -1.309 118.954 120.300 -0.063 0.000 2.626 129 Y HA 0.251 4.898 4.550 0.162 0.000 0.248 129 Y C 0.638 176.513 175.900 -0.041 0.000 1.147 129 Y CA -0.291 57.787 58.100 -0.036 0.000 1.219 129 Y CB 1.271 39.728 38.460 -0.005 0.000 1.279 129 Y HN -0.159 8.121 8.280 -0.000 0.000 0.541 130 S N 1.373 117.083 115.700 0.018 0.000 3.521 130 S HA -0.235 4.340 4.470 0.175 0.000 0.328 130 S C -0.002 174.621 174.600 0.040 0.000 1.165 130 S CA 0.743 58.929 58.200 -0.023 0.000 0.941 130 S CB -1.182 61.982 63.200 -0.060 0.000 0.951 130 S HN 0.618 8.928 8.310 -0.000 0.000 0.539 131 D N 0.850 121.291 120.400 0.068 0.000 2.451 131 D HA 0.041 4.786 4.640 0.175 0.000 0.254 131 D C 1.308 177.651 176.300 0.071 0.000 1.204 131 D CA 0.049 54.099 54.000 0.083 0.000 0.896 131 D CB 0.298 41.129 40.800 0.052 0.000 1.136 131 D HN 0.409 8.779 8.370 -0.000 0.000 0.499 132 N N 3.222 121.998 118.700 0.126 0.000 2.171 132 N HA -0.112 4.733 4.740 0.175 0.000 0.184 132 N C 1.582 177.162 175.510 0.116 0.000 1.021 132 N CA 0.948 54.090 53.050 0.154 0.000 0.854 132 N CB -0.187 38.435 38.487 0.225 0.000 0.994 132 N HN 0.542 8.922 8.380 -0.000 0.000 0.426 133 A N 1.335 124.188 122.820 0.055 0.000 1.902 133 A HA -0.020 4.405 4.320 0.175 0.000 0.217 133 A C 2.391 179.941 177.584 -0.057 0.000 1.181 133 A CA 1.941 53.969 52.037 -0.015 0.000 0.623 133 A CB -0.775 18.170 19.000 -0.093 0.000 0.818 133 A HN 0.315 8.465 8.150 -0.000 0.000 0.443 134 A N -0.139 122.637 122.820 -0.073 0.000 1.902 134 A HA 0.133 4.557 4.320 0.175 0.000 0.217 134 A C 2.521 180.097 177.584 -0.012 0.000 1.181 134 A CA 2.212 54.196 52.037 -0.088 0.000 0.623 134 A CB -1.050 17.897 19.000 -0.088 0.000 0.818 134 A HN 1.077 9.227 8.150 -0.000 0.000 0.443 135 A N 0.115 122.958 122.820 0.039 0.000 1.877 135 A HA -0.227 4.197 4.320 0.175 0.000 0.216 135 A C 1.943 179.658 177.584 0.219 0.000 1.186 135 A CA 1.748 53.852 52.037 0.111 0.000 0.620 135 A CB -0.883 18.203 19.000 0.142 0.000 0.822 135 A HN 0.721 8.871 8.150 -0.000 0.000 0.443 136 N N -0.381 118.467 118.700 0.248 0.000 2.166 136 N HA -0.078 4.767 4.740 0.175 0.000 0.186 136 N C 1.674 177.367 175.510 0.305 0.000 1.019 136 N CA 1.114 54.385 53.050 0.368 0.000 0.856 136 N CB -0.251 38.427 38.487 0.319 0.000 0.993 136 N HN 0.427 8.807 8.380 -0.000 0.000 0.426 137 L N 0.864 122.173 121.223 0.143 0.000 2.046 137 L HA -0.173 4.271 4.340 0.175 0.000 0.208 137 L C 2.124 179.065 176.870 0.118 0.000 1.077 137 L CA 1.035 55.934 54.840 0.098 0.000 0.747 137 L CB -0.339 41.715 42.059 -0.010 0.000 0.896 137 L HN 0.215 8.445 8.230 -0.000 0.000 0.432 138 L N -0.979 120.300 121.223 0.092 0.000 2.109 138 L HA -0.202 4.243 4.340 0.175 0.000 0.207 138 L C 2.482 179.410 176.870 0.095 0.000 1.086 138 L CA 0.880 55.762 54.840 0.070 0.000 0.760 138 L CB -0.407 41.668 42.059 0.027 0.000 0.910 138 L HN 0.238 8.468 8.230 -0.000 0.000 0.437 139 L N 0.108 121.413 121.223 0.137 0.000 2.042 139 L HA -0.284 4.161 4.340 0.175 0.000 0.210 139 L C 2.749 179.688 176.870 0.115 0.000 1.076 139 L CA 1.530 56.401 54.840 0.052 0.000 0.749 139 L CB -0.429 41.570 42.059 -0.101 0.000 0.893 139 L HN 0.267 8.497 8.230 -0.000 0.000 0.432 140 K N -0.194 120.410 120.400 0.340 0.000 2.063 140 K HA -0.214 4.211 4.320 0.175 0.000 0.208 140 K C 2.022 178.737 176.600 0.191 0.000 1.048 140 K CA 1.406 57.916 56.287 0.371 0.000 0.928 140 K CB 0.077 32.759 32.500 0.303 0.000 0.713 140 K HN 0.189 8.439 8.250 -0.000 0.000 0.442 141 E N 0.624 120.902 120.200 0.130 0.000 2.153 141 E HA -0.162 4.293 4.350 0.175 0.000 0.194 141 E C 1.824 178.460 176.600 0.060 0.000 0.988 141 E CA 0.956 57.405 56.400 0.082 0.000 0.811 141 E CB -0.028 29.708 29.700 0.060 0.000 0.746 141 E HN 0.426 8.786 8.360 -0.000 0.000 0.466 142 L N -0.480 120.772 121.223 0.048 0.000 2.591 142 L HA 0.144 4.588 4.340 0.175 0.000 0.228 142 L C 1.082 177.970 176.870 0.030 0.000 1.133 142 L CA 0.409 55.261 54.840 0.021 0.000 0.880 142 L CB -0.078 41.977 42.059 -0.007 0.000 1.033 142 L HN 0.198 8.428 8.230 -0.000 0.000 0.450 143 G N -0.011 108.825 108.800 0.060 0.000 2.142 143 G HA2 -0.054 4.011 3.960 0.175 0.000 0.225 143 G HA3 -0.054 4.011 3.960 0.175 0.000 0.225 143 G C 0.622 175.543 174.900 0.035 0.000 1.015 143 G CA 0.058 45.200 45.100 0.069 0.000 0.716 143 G HN 0.772 9.062 8.290 -0.000 0.000 0.508 144 G N -1.017 107.761 108.800 -0.037 0.000 2.750 144 G HA2 0.065 4.129 3.960 0.175 0.000 0.228 144 G HA3 0.065 4.129 3.960 0.175 0.000 0.228 144 G C -0.747 173.905 174.900 -0.414 0.000 1.367 144 G CA 0.281 45.148 45.100 -0.389 0.000 0.871 144 G HN 0.654 8.944 8.290 -0.000 0.000 0.560 145 P HA -0.084 4.336 4.420 -0.000 0.000 0.216 145 P C 2.261 179.475 177.300 -0.143 0.000 1.154 145 P CA 3.239 66.106 63.100 -0.388 0.000 0.865 145 P CB -0.180 31.245 31.700 -0.459 0.000 0.789 146 A N -0.422 122.336 122.820 -0.103 0.000 1.933 146 A HA -0.080 4.345 4.320 0.175 0.000 0.218 146 A C 2.479 180.067 177.584 0.006 0.000 1.175 146 A CA 2.030 54.053 52.037 -0.023 0.000 0.628 146 A CB -1.808 17.190 19.000 -0.004 0.000 0.814 146 A HN 0.294 8.444 8.150 -0.000 0.000 0.444 147 G N -0.309 108.488 108.800 -0.006 0.000 2.402 147 G HA2 -0.096 3.969 3.960 0.175 0.000 0.216 147 G HA3 -0.096 3.969 3.960 0.175 0.000 0.216 147 G C 1.460 176.394 174.900 0.056 0.000 1.162 147 G CA 1.114 46.228 45.100 0.024 0.000 0.777 147 G HN 0.463 8.753 8.290 -0.000 0.000 0.539 148 L N 1.153 122.405 121.223 0.049 0.000 2.046 148 L HA -0.002 4.443 4.340 0.175 0.000 0.208 148 L C 2.869 179.814 176.870 0.124 0.000 1.077 148 L CA 2.515 57.420 54.840 0.109 0.000 0.747 148 L CB -1.042 41.112 42.059 0.158 0.000 0.896 148 L HN 0.182 8.412 8.230 -0.000 0.000 0.432 149 T N -0.054 114.600 114.554 0.166 0.000 2.746 149 T HA -0.169 4.286 4.350 0.175 0.000 0.267 149 T C 1.918 176.653 174.700 0.057 0.000 1.039 149 T CA 1.370 63.584 62.100 0.189 0.000 1.142 149 T CB -0.563 68.406 68.868 0.170 0.000 0.866 149 T HN 0.529 8.769 8.240 -0.000 0.000 0.444 150 A N 1.119 123.969 122.820 0.051 0.000 1.902 150 A HA -0.052 4.373 4.320 0.175 0.000 0.217 150 A C 2.005 179.596 177.584 0.010 0.000 1.181 150 A CA 1.426 53.477 52.037 0.024 0.000 0.623 150 A CB -0.972 18.050 19.000 0.037 0.000 0.818 150 A HN 0.495 8.645 8.150 -0.000 0.000 0.443 151 F N 0.311 120.211 119.950 -0.084 0.000 2.102 151 F HA -0.206 4.428 4.527 0.177 0.000 0.298 151 F C 2.207 177.907 175.800 -0.167 0.000 1.105 151 F CA 2.005 59.939 58.000 -0.110 0.000 1.239 151 F CB -0.221 38.713 39.000 -0.110 0.000 0.991 151 F HN 0.101 8.401 8.300 -0.000 0.000 0.474 152 M N 0.207 119.590 119.600 -0.362 0.000 2.159 152 M HA -0.149 4.436 4.480 0.175 0.000 0.263 152 M C 2.182 178.243 176.300 -0.398 0.000 1.063 152 M CA 1.337 56.306 55.300 -0.551 0.000 1.110 152 M CB -1.233 30.945 32.600 -0.702 0.000 1.374 152 M HN 0.124 8.414 8.290 -0.000 0.000 0.411 153 R N 0.434 120.791 120.500 -0.238 0.000 2.105 153 R HA -0.088 4.357 4.340 0.175 0.000 0.239 153 R C 2.331 178.505 176.300 -0.209 0.000 1.135 153 R CA 1.828 57.824 56.100 -0.172 0.000 0.967 153 R CB -1.344 28.899 30.300 -0.095 0.000 0.861 153 R HN 0.579 8.849 8.270 -0.000 0.000 0.442 154 S N 1.090 116.633 115.700 -0.262 0.000 2.447 154 S HA -0.083 4.491 4.470 0.175 0.000 0.233 154 S C 1.891 176.314 174.600 -0.295 0.000 1.006 154 S CA 1.036 59.090 58.200 -0.243 0.000 0.957 154 S CB -0.484 62.593 63.200 -0.205 0.000 0.773 154 S HN 0.540 8.850 8.310 -0.000 0.000 0.507 155 I N -2.976 117.343 120.570 -0.417 0.000 3.875 155 I HA 0.577 4.852 4.170 0.175 0.000 0.329 155 I C 1.280 177.259 176.117 -0.231 0.000 1.295 155 I CA 0.146 61.241 61.300 -0.341 0.000 1.129 155 I CB -0.279 37.454 38.000 -0.444 0.000 1.008 155 I HN 0.338 8.548 8.210 -0.000 0.000 0.413 156 G N 1.539 110.215 108.800 -0.208 0.000 2.131 156 G HA2 -0.255 3.809 3.960 0.175 0.000 0.223 156 G HA3 -0.255 3.809 3.960 0.175 0.000 0.223 156 G C -0.280 174.530 174.900 -0.150 0.000 0.990 156 G CA 0.200 45.210 45.100 -0.149 0.000 0.671 156 G HN 0.560 8.850 8.290 -0.000 0.000 0.521 157 D N 1.217 121.502 120.400 -0.192 0.000 2.347 157 D HA 0.491 5.236 4.640 0.175 0.000 0.235 157 D C 1.671 177.900 176.300 -0.119 0.000 1.149 157 D CA 0.470 54.367 54.000 -0.172 0.000 0.850 157 D CB 0.801 41.451 40.800 -0.250 0.000 1.061 157 D HN 0.252 8.622 8.370 -0.000 0.000 0.487 158 T N -0.327 114.173 114.554 -0.090 0.000 3.069 158 T HA 0.070 4.525 4.350 0.175 0.000 0.252 158 T C 1.289 175.961 174.700 -0.047 0.000 1.053 158 T CA 0.050 62.112 62.100 -0.064 0.000 0.964 158 T CB 0.300 69.129 68.868 -0.064 0.000 1.005 158 T HN 0.210 8.450 8.240 -0.000 0.000 0.532 159 T N 0.966 115.494 114.554 -0.044 0.000 3.004 159 T HA 0.281 4.736 4.350 0.175 0.000 0.243 159 T C 0.270 174.964 174.700 -0.010 0.000 1.020 159 T CA -0.465 61.609 62.100 -0.044 0.000 1.145 159 T CB -0.368 68.457 68.868 -0.071 0.000 0.876 159 T HN 0.481 8.721 8.240 -0.000 0.000 0.449 160 F N 4.998 124.857 119.950 -0.151 0.000 2.623 160 F HA 0.100 4.727 4.527 0.166 0.000 0.386 160 F C 0.610 176.350 175.800 -0.101 0.000 1.068 160 F CA -0.217 57.699 58.000 -0.140 0.000 1.265 160 F CB 0.395 39.266 39.000 -0.216 0.000 1.026 160 F HN 0.069 8.369 8.300 -0.000 0.000 0.568 161 R N 6.181 126.372 120.500 -0.516 0.000 2.564 161 R HA 0.675 5.119 4.340 0.175 0.000 0.284 161 R C -2.388 173.560 176.300 -0.585 0.000 1.031 161 R CA -1.210 54.688 56.100 -0.336 0.000 0.904 161 R CB 1.502 31.703 30.300 -0.166 0.000 1.199 161 R HN 0.652 8.922 8.270 -0.000 0.000 0.443 162 L N 2.251 123.270 121.223 -0.341 0.000 2.322 162 L HA 0.444 4.889 4.340 0.175 0.000 0.281 162 L C -0.351 176.391 176.870 -0.213 0.000 1.014 162 L CA 0.086 54.736 54.840 -0.316 0.000 0.815 162 L CB 1.868 43.785 42.059 -0.237 0.000 1.247 162 L HN 0.838 9.068 8.230 -0.000 0.000 0.421 163 D N 2.903 123.171 120.400 -0.221 0.000 2.448 163 D HA 0.196 4.941 4.640 0.175 0.000 0.256 163 D C 0.223 176.447 176.300 -0.127 0.000 1.108 163 D CA 0.171 54.085 54.000 -0.143 0.000 0.848 163 D CB 1.170 41.909 40.800 -0.102 0.000 1.281 163 D HN 0.436 8.806 8.370 -0.000 0.000 0.509 164 R N -0.559 119.840 120.500 -0.170 0.000 2.905 164 R HA 0.487 4.931 4.340 0.175 0.000 0.260 164 R C -1.171 175.038 176.300 -0.150 0.000 1.086 164 R CA -0.788 55.285 56.100 -0.045 0.000 0.978 164 R CB 1.485 31.808 30.300 0.039 0.000 1.215 164 R HN -0.152 8.118 8.270 -0.000 0.000 0.480 165 W N 0.255 121.524 121.300 -0.051 0.000 2.492 165 W HA 0.358 5.084 4.660 0.110 0.000 0.373 165 W C 0.149 176.679 176.519 0.017 0.000 1.323 165 W CA -0.552 56.779 57.345 -0.024 0.000 1.406 165 W CB 0.364 29.834 29.460 0.017 0.000 1.398 165 W HN 0.127 8.307 8.180 -0.000 0.000 0.671 166 E N 1.341 121.753 120.200 0.353 0.000 2.360 166 E HA 0.089 4.544 4.350 0.175 0.000 0.269 166 E C 0.536 177.276 176.600 0.233 0.000 1.022 166 E CA 0.123 56.692 56.400 0.282 0.000 0.887 166 E CB 0.752 30.634 29.700 0.304 0.000 0.990 166 E HN 0.449 8.809 8.360 -0.000 0.000 0.426 167 L N 2.137 123.475 121.223 0.191 0.000 2.640 167 L HA 0.032 4.477 4.340 0.175 0.000 0.230 167 L C 1.392 178.363 176.870 0.167 0.000 1.123 167 L CA 0.079 55.042 54.840 0.204 0.000 0.900 167 L CB 0.119 42.312 42.059 0.223 0.000 1.146 167 L HN 0.316 8.546 8.230 -0.000 0.000 0.484 168 E N 0.990 121.279 120.200 0.148 0.000 2.265 168 E HA -0.205 4.250 4.350 0.175 0.000 0.196 168 E C 1.961 178.617 176.600 0.095 0.000 0.996 168 E CA 1.037 57.508 56.400 0.117 0.000 0.832 168 E CB -0.284 29.484 29.700 0.112 0.000 0.756 168 E HN 0.476 8.836 8.360 -0.000 0.000 0.491 169 L N -0.915 120.358 121.223 0.083 0.000 2.549 169 L HA 0.042 4.487 4.340 0.175 0.000 0.229 169 L C 0.926 177.828 176.870 0.054 0.000 1.158 169 L CA 1.320 56.174 54.840 0.024 0.000 0.842 169 L CB -0.260 41.755 42.059 -0.074 0.000 0.952 169 L HN -0.044 8.186 8.230 -0.000 0.000 0.452 170 N N 0.165 118.923 118.700 0.095 0.000 2.322 170 N HA 0.005 4.850 4.740 0.175 0.000 0.194 170 N C 1.617 177.196 175.510 0.114 0.000 1.126 170 N CA 0.814 53.929 53.050 0.107 0.000 0.845 170 N CB 0.206 38.763 38.487 0.116 0.000 0.976 170 N HN 0.678 9.058 8.380 -0.000 0.000 0.475 171 S N 0.841 116.604 115.700 0.104 0.000 2.399 171 S HA -0.028 4.547 4.470 0.175 0.000 0.231 171 S C 1.380 176.076 174.600 0.161 0.000 1.022 171 S CA 0.683 58.961 58.200 0.130 0.000 0.983 171 S CB -0.220 63.040 63.200 0.099 0.000 0.803 171 S HN 0.330 8.640 8.310 -0.000 0.000 0.480 172 A N 0.527 123.405 122.820 0.096 0.000 2.822 172 A HA -0.170 4.255 4.320 0.175 0.000 0.287 172 A C 0.249 177.756 177.584 -0.128 0.000 1.479 172 A CA 0.831 52.910 52.037 0.070 0.000 0.779 172 A CB -2.659 16.453 19.000 0.188 0.000 1.022 172 A HN 0.669 8.819 8.150 -0.000 0.000 0.532 173 I N 0.589 121.050 120.570 -0.181 0.000 2.598 173 I HA 0.175 4.449 4.170 0.175 0.000 0.284 173 I C -1.705 174.156 176.117 -0.427 0.000 1.140 173 I CA -1.678 59.375 61.300 -0.412 0.000 1.420 173 I CB 0.490 38.392 38.000 -0.165 0.000 1.387 173 I HN 0.118 8.328 8.210 -0.000 0.000 0.553 174 P HA 0.022 4.442 4.420 -0.000 0.000 0.262 174 P C 0.811 177.984 177.300 -0.212 0.000 1.182 174 P CA 0.655 63.549 63.100 -0.343 0.000 0.761 174 P CB 0.594 32.113 31.700 -0.301 0.000 0.795 175 G N 1.895 110.594 108.800 -0.168 0.000 2.179 175 G HA2 -0.225 3.840 3.960 0.175 0.000 0.260 175 G HA3 -0.225 3.840 3.960 0.175 0.000 0.260 175 G C 0.087 174.919 174.900 -0.112 0.000 0.977 175 G CA 0.028 45.051 45.100 -0.127 0.000 0.641 175 G HN 0.640 8.930 8.290 -0.000 0.000 0.533 176 D N 0.613 120.940 120.400 -0.121 0.000 2.313 176 D HA 0.682 5.427 4.640 0.175 0.000 0.239 176 D C 1.250 177.493 176.300 -0.095 0.000 1.142 176 D CA 0.369 54.311 54.000 -0.096 0.000 0.847 176 D CB 0.943 41.690 40.800 -0.089 0.000 1.082 176 D HN 0.394 8.764 8.370 -0.000 0.000 0.480 177 A N 4.979 127.747 122.820 -0.087 0.000 2.208 177 A HA 0.023 4.448 4.320 0.175 0.000 0.209 177 A C 1.171 178.697 177.584 -0.097 0.000 1.161 177 A CA 0.149 52.130 52.037 -0.094 0.000 0.782 177 A CB -0.076 18.872 19.000 -0.088 0.000 0.816 177 A HN 0.546 8.696 8.150 -0.000 0.000 0.477 178 R N 1.323 121.772 120.500 -0.085 0.000 2.585 178 R HA 0.116 4.561 4.340 0.175 0.000 0.275 178 R C -0.545 175.687 176.300 -0.113 0.000 1.018 178 R CA 0.456 56.500 56.100 -0.093 0.000 1.072 178 R CB 0.002 30.261 30.300 -0.067 0.000 0.953 178 R HN 0.374 8.644 8.270 -0.000 0.000 0.419 179 D N 0.494 120.792 120.400 -0.169 0.000 2.699 179 D HA -0.150 4.595 4.640 0.175 0.000 0.239 179 D C -0.283 175.920 176.300 -0.161 0.000 1.136 179 D CA 1.690 55.567 54.000 -0.205 0.000 0.668 179 D CB -1.037 39.675 40.800 -0.145 0.000 1.060 179 D HN 0.743 9.113 8.370 -0.000 0.000 0.429 180 T N -3.992 110.441 114.554 -0.203 0.000 2.916 180 T HA 0.745 5.200 4.350 0.175 0.000 0.292 180 T C -0.150 174.426 174.700 -0.206 0.000 1.064 180 T CA -0.527 61.494 62.100 -0.132 0.000 1.011 180 T CB 3.333 72.145 68.868 -0.094 0.000 1.152 180 T HN 0.052 8.292 8.240 -0.000 0.000 0.510 181 S N -0.273 115.351 115.700 -0.127 0.000 2.880 181 S HA 0.814 5.388 4.470 0.175 0.000 0.308 181 S C -1.105 173.421 174.600 -0.122 0.000 1.195 181 S CA -0.365 57.757 58.200 -0.129 0.000 0.866 181 S CB 1.117 64.269 63.200 -0.080 0.000 1.254 181 S HN 1.416 9.726 8.310 -0.000 0.000 0.571 182 S N 0.704 116.324 115.700 -0.133 0.000 2.578 182 S HA 0.620 5.195 4.470 0.175 0.000 0.301 182 S C -2.431 172.039 174.600 -0.216 0.000 1.091 182 S CA -1.251 56.881 58.200 -0.112 0.000 1.032 182 S CB 1.278 64.423 63.200 -0.091 0.000 1.064 182 S HN 0.417 8.727 8.310 -0.000 0.000 0.508 183 P HA -0.117 4.303 4.420 -0.000 0.000 0.216 183 P C 1.584 178.840 177.300 -0.073 0.000 1.153 183 P CA 1.095 64.118 63.100 -0.129 0.000 0.858 183 P CB 0.048 31.735 31.700 -0.021 0.000 0.789 184 R N -0.193 120.166 120.500 -0.234 0.000 2.073 184 R HA -0.106 4.338 4.340 0.175 0.000 0.234 184 R C 2.126 178.228 176.300 -0.329 0.000 1.134 184 R CA 1.793 57.537 56.100 -0.593 0.000 0.952 184 R CB -0.903 28.899 30.300 -0.831 0.000 0.850 184 R HN 0.065 8.335 8.270 -0.000 0.000 0.433 185 A N 0.155 122.842 122.820 -0.221 0.000 1.930 185 A HA -0.078 4.346 4.320 0.175 0.000 0.217 185 A C 2.261 179.779 177.584 -0.109 0.000 1.175 185 A CA 1.447 53.389 52.037 -0.158 0.000 0.627 185 A CB -0.494 18.427 19.000 -0.133 0.000 0.815 185 A HN 0.233 8.383 8.150 -0.000 0.000 0.443 186 V N -0.254 119.625 119.914 -0.059 0.000 2.287 186 V HA -0.253 3.972 4.120 0.175 0.000 0.248 186 V C 2.769 178.924 176.094 0.102 0.000 1.053 186 V CA 2.578 64.919 62.300 0.069 0.000 1.027 186 V CB -1.222 30.699 31.823 0.164 0.000 0.646 186 V HN 0.607 8.797 8.190 -0.000 0.000 0.447 187 T N -0.604 114.009 114.554 0.099 0.000 2.746 187 T HA -0.193 4.262 4.350 0.175 0.000 0.267 187 T C 1.815 176.576 174.700 0.102 0.000 1.039 187 T CA 1.676 63.863 62.100 0.146 0.000 1.142 187 T CB -0.230 68.825 68.868 0.312 0.000 0.866 187 T HN 0.592 8.832 8.240 -0.000 0.000 0.444 188 E N 0.840 121.066 120.200 0.045 0.000 2.077 188 E HA -0.086 4.369 4.350 0.175 0.000 0.193 188 E C 2.578 179.182 176.600 0.007 0.000 0.989 188 E CA 1.248 57.657 56.400 0.014 0.000 0.800 188 E CB -0.091 29.577 29.700 -0.053 0.000 0.746 188 E HN 0.298 8.658 8.360 -0.000 0.000 0.452 189 S N 0.821 116.510 115.700 -0.019 0.000 2.368 189 S HA -0.113 4.462 4.470 0.175 0.000 0.224 189 S C 1.880 176.595 174.600 0.192 0.000 1.029 189 S CA 0.501 58.692 58.200 -0.016 0.000 0.988 189 S CB -0.154 62.888 63.200 -0.263 0.000 0.838 189 S HN 0.125 8.435 8.310 -0.000 0.000 0.462 190 L N 2.060 123.436 121.223 0.256 0.000 2.046 190 L HA -0.117 4.328 4.340 0.175 0.000 0.208 190 L C 2.421 179.383 176.870 0.154 0.000 1.077 190 L CA 1.858 56.835 54.840 0.228 0.000 0.747 190 L CB -0.779 41.297 42.059 0.027 0.000 0.896 190 L HN 0.328 8.558 8.230 -0.000 0.000 0.432 191 Q N -0.555 119.301 119.800 0.092 0.000 2.050 191 Q HA -0.273 4.172 4.340 0.175 0.000 0.202 191 Q C 2.200 178.247 176.000 0.078 0.000 0.980 191 Q CA 2.042 57.880 55.803 0.057 0.000 0.840 191 Q CB -0.072 28.688 28.738 0.036 0.000 0.898 191 Q HN 0.505 8.775 8.270 -0.000 0.000 0.424 192 K N -0.050 120.395 120.400 0.075 0.000 2.103 192 K HA -0.144 4.281 4.320 0.175 0.000 0.207 192 K C 2.034 178.702 176.600 0.113 0.000 1.048 192 K CA 1.402 57.727 56.287 0.063 0.000 0.930 192 K CB -0.049 32.460 32.500 0.015 0.000 0.716 192 K HN 0.265 8.515 8.250 -0.000 0.000 0.444 193 L N 0.013 121.353 121.223 0.195 0.000 2.249 193 L HA -0.062 4.383 4.340 0.175 0.000 0.207 193 L C 2.402 179.485 176.870 0.356 0.000 1.090 193 L CA 1.116 56.128 54.840 0.287 0.000 0.802 193 L CB -0.269 42.033 42.059 0.406 0.000 0.947 193 L HN 0.321 8.551 8.230 -0.000 0.000 0.453 194 T N -3.979 110.750 114.554 0.291 0.000 3.015 194 T HA 0.181 4.636 4.350 0.175 0.000 0.250 194 T C 1.498 176.309 174.700 0.185 0.000 1.057 194 T CA 0.208 62.449 62.100 0.236 0.000 1.066 194 T CB 0.230 69.174 68.868 0.127 0.000 0.959 194 T HN 0.165 8.405 8.240 -0.000 0.000 0.488 195 L N -0.324 120.978 121.223 0.132 0.000 2.854 195 L HA 0.492 4.936 4.340 0.175 0.000 0.249 195 L C 1.807 178.723 176.870 0.077 0.000 1.091 195 L CA -0.021 54.881 54.840 0.103 0.000 0.935 195 L CB 0.003 42.092 42.059 0.050 0.000 1.367 195 L HN 0.373 8.603 8.230 -0.000 0.000 0.524 196 G N 0.014 108.857 108.800 0.072 0.000 2.630 196 G HA2 0.195 4.259 3.960 0.175 0.000 0.223 196 G HA3 0.195 4.259 3.960 0.175 0.000 0.223 196 G C 0.692 175.624 174.900 0.053 0.000 1.434 196 G CA 0.561 45.692 45.100 0.051 0.000 1.057 196 G HN 0.153 8.443 8.290 -0.000 0.000 0.570 197 S N -1.507 114.216 115.700 0.037 0.000 2.593 197 S HA 0.433 5.008 4.470 0.175 0.000 0.236 197 S C 1.746 176.365 174.600 0.032 0.000 0.991 197 S CA 0.787 59.006 58.200 0.032 0.000 0.963 197 S CB 0.752 63.963 63.200 0.018 0.000 0.865 197 S HN 0.824 9.134 8.310 -0.000 0.000 0.488 198 A N 1.590 124.434 122.820 0.040 0.000 1.972 198 A HA 0.331 4.756 4.320 0.175 0.000 0.219 198 A C 0.828 178.460 177.584 0.079 0.000 1.169 198 A CA 0.720 52.779 52.037 0.037 0.000 0.635 198 A CB -0.334 18.679 19.000 0.022 0.000 0.810 198 A HN 0.611 8.761 8.150 -0.000 0.000 0.446 199 L N -1.156 120.120 121.223 0.088 0.000 2.330 199 L HA 0.634 5.079 4.340 0.175 0.000 0.271 199 L C 0.527 177.428 176.870 0.052 0.000 1.013 199 L CA -0.964 53.923 54.840 0.078 0.000 0.816 199 L CB 1.720 43.827 42.059 0.081 0.000 1.287 199 L HN 0.192 8.422 8.230 -0.000 0.000 0.435 200 A N 1.255 124.096 122.820 0.035 0.000 2.466 200 A HA 0.426 4.851 4.320 0.175 0.000 0.238 200 A C 1.238 178.833 177.584 0.017 0.000 1.074 200 A CA 0.525 52.575 52.037 0.021 0.000 0.774 200 A CB 0.441 19.448 19.000 0.012 0.000 1.015 200 A HN 0.977 9.127 8.150 -0.000 0.000 0.498 201 A N 2.084 124.911 122.820 0.012 0.000 1.892 201 A HA -0.074 4.351 4.320 0.175 0.000 0.218 201 A C -0.163 177.415 177.584 -0.010 0.000 1.188 201 A CA 2.191 54.232 52.037 0.007 0.000 0.631 201 A CB -1.778 17.224 19.000 0.002 0.000 0.822 201 A HN 0.642 8.792 8.150 -0.000 0.000 0.447 202 P HA -0.119 4.301 4.420 -0.000 0.000 0.218 202 P C 1.253 178.513 177.300 -0.067 0.000 1.149 202 P CA 1.336 64.409 63.100 -0.044 0.000 0.817 202 P CB -0.015 31.662 31.700 -0.038 0.000 0.785 203 Q N -0.931 118.840 119.800 -0.048 0.000 2.083 203 Q HA -0.058 4.387 4.340 0.175 0.000 0.198 203 Q C 2.297 178.279 176.000 -0.029 0.000 0.969 203 Q CA 1.159 56.923 55.803 -0.066 0.000 0.838 203 Q CB -0.743 27.971 28.738 -0.039 0.000 0.900 203 Q HN 0.153 8.423 8.270 -0.000 0.000 0.436 204 R N 0.241 120.759 120.500 0.029 0.000 2.096 204 R HA -0.261 4.184 4.340 0.175 0.000 0.240 204 R C 2.086 178.428 176.300 0.070 0.000 1.139 204 R CA 1.810 57.972 56.100 0.104 0.000 0.952 204 R CB -0.067 30.290 30.300 0.095 0.000 0.854 204 R HN 0.175 8.445 8.270 -0.000 0.000 0.436 205 Q N 0.602 120.393 119.800 -0.014 0.000 2.119 205 Q HA -0.146 4.298 4.340 0.175 0.000 0.201 205 Q C 1.955 177.862 176.000 -0.155 0.000 0.972 205 Q CA 1.834 57.595 55.803 -0.071 0.000 0.847 205 Q CB 0.009 28.696 28.738 -0.085 0.000 0.903 205 Q HN 0.500 8.770 8.270 -0.000 0.000 0.433 206 Q N -1.255 118.402 119.800 -0.237 0.000 2.084 206 Q HA -0.142 4.302 4.340 0.175 0.000 0.202 206 Q C 1.711 177.350 176.000 -0.602 0.000 0.978 206 Q CA 1.261 56.745 55.803 -0.530 0.000 0.844 206 Q CB -0.243 28.092 28.738 -0.671 0.000 0.898 206 Q HN 0.382 8.652 8.270 -0.000 0.000 0.426 207 F N 0.836 120.536 119.950 -0.416 0.000 2.102 207 F HA -0.196 4.432 4.527 0.169 0.000 0.298 207 F C 2.020 177.820 175.800 0.001 0.000 1.105 207 F CA 0.889 58.812 58.000 -0.127 0.000 1.239 207 F CB -0.590 38.416 39.000 0.009 0.000 0.991 207 F HN -0.197 8.103 8.300 -0.000 0.000 0.474 208 V N 0.608 120.481 119.914 -0.068 0.000 2.287 208 V HA -0.322 3.902 4.120 0.175 0.000 0.248 208 V C 2.236 178.276 176.094 -0.089 0.000 1.053 208 V CA 2.296 64.544 62.300 -0.087 0.000 1.027 208 V CB -0.732 31.081 31.823 -0.017 0.000 0.646 208 V HN 0.238 8.428 8.190 -0.000 0.000 0.447 209 D N -1.123 119.198 120.400 -0.132 0.000 2.123 209 D HA -0.184 4.561 4.640 0.175 0.000 0.196 209 D C 1.962 178.296 176.300 0.057 0.000 0.992 209 D CA 1.191 55.132 54.000 -0.098 0.000 0.833 209 D CB -0.254 40.446 40.800 -0.166 0.000 0.954 209 D HN 0.503 8.873 8.370 -0.000 0.000 0.455 210 W N 1.117 122.419 121.300 0.003 0.000 2.355 210 W HA -0.009 4.770 4.660 0.199 0.000 0.309 210 W C 2.411 178.903 176.519 -0.046 0.000 1.206 210 W CA 0.232 57.582 57.345 0.009 0.000 1.284 210 W CB -1.229 28.281 29.460 0.084 0.000 1.145 210 W HN 0.045 8.225 8.180 -0.000 0.000 0.502 211 L N 0.254 121.553 121.223 0.126 0.000 2.042 211 L HA -0.227 4.218 4.340 0.175 0.000 0.210 211 L C 2.397 179.271 176.870 0.008 0.000 1.076 211 L CA 1.477 56.310 54.840 -0.011 0.000 0.749 211 L CB -0.853 41.111 42.059 -0.158 0.000 0.893 211 L HN -0.075 8.155 8.230 -0.000 0.000 0.432 212 K N -0.135 120.280 120.400 0.025 0.000 2.147 212 K HA -0.098 4.327 4.320 0.175 0.000 0.205 212 K C 1.821 178.425 176.600 0.006 0.000 1.049 212 K CA 1.183 57.482 56.287 0.020 0.000 0.936 212 K CB -0.325 32.165 32.500 -0.018 0.000 0.722 212 K HN 0.391 8.641 8.250 -0.000 0.000 0.446 213 G N 1.005 109.819 108.800 0.023 0.000 3.088 213 G HA2 -0.109 3.956 3.960 0.175 0.000 0.212 213 G HA3 -0.109 3.956 3.960 0.175 0.000 0.212 213 G C 0.142 175.003 174.900 -0.064 0.000 1.173 213 G CA -0.398 44.705 45.100 0.005 0.000 0.779 213 G HN 0.169 8.459 8.290 -0.000 0.000 0.540 214 N N 0.930 119.581 118.700 -0.081 0.000 2.412 214 N HA 0.041 4.886 4.740 0.175 0.000 0.254 214 N C 1.647 177.032 175.510 -0.208 0.000 1.232 214 N CA 1.012 53.965 53.050 -0.163 0.000 0.880 214 N CB 1.066 39.465 38.487 -0.145 0.000 1.076 214 N HN 0.051 8.431 8.380 -0.000 0.000 0.458 215 T N -1.943 112.416 114.554 -0.325 0.000 3.040 215 T HA 0.009 4.464 4.350 0.175 0.000 0.250 215 T C 1.231 175.800 174.700 -0.219 0.000 1.058 215 T CA 0.713 62.632 62.100 -0.301 0.000 0.988 215 T CB -0.431 68.154 68.868 -0.472 0.000 0.993 215 T HN 0.548 8.788 8.240 -0.000 0.000 0.519 216 T N -2.092 112.336 114.554 -0.209 0.000 3.069 216 T HA 0.393 4.847 4.350 0.175 0.000 0.252 216 T C 1.607 176.229 174.700 -0.130 0.000 1.053 216 T CA 0.279 62.289 62.100 -0.150 0.000 0.964 216 T CB 0.081 68.858 68.868 -0.151 0.000 1.005 216 T HN 0.369 8.609 8.240 -0.000 0.000 0.532 217 G N 0.886 109.596 108.800 -0.150 0.000 3.575 217 G HA2 0.162 4.227 3.960 0.175 0.000 0.273 217 G HA3 0.162 4.227 3.960 0.175 0.000 0.273 217 G C 0.913 175.720 174.900 -0.155 0.000 1.053 217 G CA -0.465 44.552 45.100 -0.138 0.000 0.803 217 G HN 0.293 8.583 8.290 -0.000 0.000 0.528 218 N N 1.014 119.570 118.700 -0.241 0.000 2.364 218 N HA -0.062 4.783 4.740 0.175 0.000 0.183 218 N C 1.116 176.377 175.510 -0.414 0.000 1.022 218 N CA 0.797 53.630 53.050 -0.361 0.000 0.883 218 N CB -0.056 38.137 38.487 -0.490 0.000 0.965 218 N HN 0.405 8.785 8.380 -0.000 0.000 0.438 219 H N -0.712 118.330 119.070 -0.046 0.000 2.520 219 H HA 0.298 4.958 4.556 0.173 0.000 0.284 219 H C 0.945 176.245 175.328 -0.047 0.000 1.037 219 H CA -0.046 55.977 56.048 -0.041 0.000 1.168 219 H CB 0.993 30.736 29.762 -0.031 0.000 1.497 219 H HN 0.184 8.464 8.280 -0.000 0.000 0.547 220 R N -0.322 120.181 120.500 0.004 0.000 2.328 220 R HA 0.314 4.759 4.340 0.175 0.000 0.114 220 R C 1.831 178.111 176.300 -0.034 0.000 1.543 220 R CA -0.675 55.413 56.100 -0.021 0.000 1.352 220 R CB 0.178 30.446 30.300 -0.053 0.000 1.142 220 R HN -0.075 8.195 8.270 -0.000 0.000 0.443 221 I N 1.587 122.132 120.570 -0.042 0.000 2.264 221 I HA -0.271 4.004 4.170 0.175 0.000 0.248 221 I C 2.478 178.582 176.117 -0.022 0.000 1.111 221 I CA 1.444 62.731 61.300 -0.022 0.000 1.382 221 I CB -0.287 37.708 38.000 -0.009 0.000 1.060 221 I HN 0.283 8.493 8.210 -0.000 0.000 0.418 222 R N 0.620 121.098 120.500 -0.036 0.000 2.127 222 R HA -0.156 4.289 4.340 0.175 0.000 0.238 222 R C 2.274 178.541 176.300 -0.055 0.000 1.134 222 R CA 1.425 57.501 56.100 -0.040 0.000 0.975 222 R CB -0.408 29.854 30.300 -0.064 0.000 0.865 222 R HN 0.390 8.660 8.270 -0.000 0.000 0.447 223 A N 0.304 123.092 122.820 -0.053 0.000 2.168 223 A HA 0.084 4.509 4.320 0.175 0.000 0.215 223 A C 1.962 179.511 177.584 -0.058 0.000 1.152 223 A CA 1.241 53.250 52.037 -0.046 0.000 0.716 223 A CB -0.088 18.907 19.000 -0.008 0.000 0.794 223 A HN 0.362 8.512 8.150 -0.000 0.000 0.465 224 A N -0.461 122.324 122.820 -0.060 0.000 2.220 224 A HA 0.448 4.872 4.320 0.175 0.000 0.211 224 A C 0.921 178.431 177.584 -0.124 0.000 1.176 224 A CA 0.712 52.705 52.037 -0.073 0.000 0.834 224 A CB -0.455 18.520 19.000 -0.041 0.000 0.868 224 A HN 0.959 9.109 8.150 -0.000 0.000 0.488 225 V N -2.608 117.222 119.914 -0.140 0.000 2.547 225 V HA 0.616 4.841 4.120 0.175 0.000 0.299 225 V C -3.058 172.787 176.094 -0.416 0.000 1.040 225 V CA -2.814 59.328 62.300 -0.264 0.000 0.913 225 V CB 0.878 32.670 31.823 -0.052 0.000 0.992 225 V HN 0.083 8.273 8.190 -0.000 0.000 0.449 226 P HA 0.151 4.571 4.420 -0.000 0.000 0.263 226 P C 0.874 177.911 177.300 -0.438 0.000 1.175 226 P CA 0.683 63.342 63.100 -0.735 0.000 0.761 226 P CB 0.779 31.719 31.700 -1.266 0.000 0.794 227 A N 3.650 126.335 122.820 -0.225 0.000 2.024 227 A HA -0.204 4.221 4.320 0.175 0.000 0.220 227 A C 1.595 179.175 177.584 -0.007 0.000 1.164 227 A CA 1.923 53.905 52.037 -0.092 0.000 0.643 227 A CB -0.860 18.101 19.000 -0.065 0.000 0.806 227 A HN 0.689 8.839 8.150 -0.000 0.000 0.451 228 D N -2.334 118.083 120.400 0.027 0.000 2.349 228 D HA -0.048 4.697 4.640 0.175 0.000 0.215 228 D C -0.218 176.297 176.300 0.358 0.000 1.016 228 D CA -0.188 53.913 54.000 0.168 0.000 0.870 228 D CB -0.250 40.659 40.800 0.181 0.000 0.917 228 D HN 0.441 8.811 8.370 -0.000 0.000 0.524 229 W N 1.801 123.122 121.300 0.036 0.000 2.315 229 W HA 0.607 5.371 4.660 0.173 0.000 0.316 229 W C 0.388 176.961 176.519 0.089 0.000 1.211 229 W CA -1.929 55.458 57.345 0.069 0.000 1.201 229 W CB 0.671 30.169 29.460 0.063 0.000 1.184 229 W HN -0.108 8.072 8.180 -0.000 0.000 0.544 230 A N 2.720 125.742 122.820 0.336 0.000 2.440 230 A HA 0.607 5.032 4.320 0.175 0.000 0.251 230 A C -0.719 177.116 177.584 0.418 0.000 1.089 230 A CA -0.298 51.905 52.037 0.276 0.000 0.779 230 A CB 0.338 19.417 19.000 0.132 0.000 1.022 230 A HN 0.440 8.590 8.150 -0.000 0.000 0.492 231 V N 1.719 121.813 119.914 0.299 0.000 2.686 231 V HA 0.674 4.899 4.120 0.175 0.000 0.306 231 V C 0.518 176.744 176.094 0.221 0.000 1.065 231 V CA -0.108 62.350 62.300 0.264 0.000 0.894 231 V CB 2.052 33.961 31.823 0.144 0.000 1.004 231 V HN 1.239 9.429 8.190 -0.000 0.000 0.424 232 G N 3.069 112.022 108.800 0.255 0.000 2.416 232 G HA2 0.746 4.811 3.960 0.175 0.000 0.324 232 G HA3 0.746 4.811 3.960 0.175 0.000 0.324 232 G C -1.341 173.580 174.900 0.036 0.000 1.194 232 G CA -0.276 44.902 45.100 0.130 0.000 0.922 232 G HN 0.764 9.054 8.290 -0.000 0.000 0.467 233 D N 0.387 120.766 120.400 -0.035 0.000 2.583 233 D HA 0.581 5.325 4.640 0.175 0.000 0.248 233 D C -1.317 174.849 176.300 -0.223 0.000 1.209 233 D CA -0.888 53.049 54.000 -0.105 0.000 0.848 233 D CB 2.742 43.477 40.800 -0.108 0.000 1.431 233 D HN 0.289 8.659 8.370 -0.000 0.000 0.436 234 K N 0.463 120.575 120.400 -0.481 0.000 2.507 234 K HA 0.417 4.842 4.320 0.175 0.000 0.251 234 K C -0.831 175.390 176.600 -0.631 0.000 0.943 234 K CA -0.365 55.586 56.287 -0.561 0.000 0.794 234 K CB 1.605 33.738 32.500 -0.612 0.000 1.188 234 K HN 0.587 8.837 8.250 -0.000 0.000 0.428 235 T N -0.079 114.243 114.554 -0.386 0.000 2.902 235 T HA 0.815 5.270 4.350 0.175 0.000 0.280 235 T C 0.318 174.858 174.700 -0.268 0.000 0.992 235 T CA -0.697 61.214 62.100 -0.316 0.000 1.015 235 T CB 1.556 70.290 68.868 -0.224 0.000 1.044 235 T HN 0.583 8.823 8.240 -0.000 0.000 0.520 236 G N -0.202 108.455 108.800 -0.238 0.000 2.682 236 G HA2 0.561 4.626 3.960 0.175 0.000 0.300 236 G HA3 0.561 4.626 3.960 0.175 0.000 0.300 236 G C -1.025 173.766 174.900 -0.182 0.000 1.391 236 G CA -0.879 44.129 45.100 -0.155 0.000 0.990 236 G HN 0.795 9.085 8.290 -0.000 0.000 0.501 237 T N 1.691 116.138 114.554 -0.179 0.000 3.198 237 T HA 0.158 4.613 4.350 0.175 0.000 0.352 237 T C 0.924 175.514 174.700 -0.183 0.000 1.197 237 T CA -0.370 61.568 62.100 -0.270 0.000 1.427 237 T CB 0.411 69.033 68.868 -0.410 0.000 0.983 237 T HN 0.568 8.808 8.240 -0.000 0.000 0.560 238 c N 1.132 119.690 118.600 -0.070 0.000 2.422 238 c HA 0.178 4.852 4.570 0.175 0.000 0.279 238 c C 2.561 176.646 174.090 -0.008 0.000 1.305 238 c CA 1.344 57.676 56.329 0.005 0.000 1.757 238 c CB -1.220 41.344 42.510 0.092 0.000 1.962 238 c HN 1.186 9.416 8.230 -0.000 0.000 0.499 239 G N 0.042 108.813 108.800 -0.047 0.000 3.444 239 G HA2 -0.320 3.745 3.960 0.175 0.000 0.222 239 G HA3 -0.320 3.745 3.960 0.175 0.000 0.222 239 G C 0.422 175.387 174.900 0.108 0.000 1.358 239 G CA 0.577 45.684 45.100 0.012 0.000 0.880 239 G HN 1.159 9.449 8.290 -0.000 0.000 0.555 240 V N -2.015 117.953 119.914 0.090 0.000 3.032 240 V HA 0.443 4.668 4.120 0.175 0.000 0.307 240 V C 1.251 177.444 176.094 0.165 0.000 1.097 240 V CA 0.676 63.006 62.300 0.050 0.000 1.191 240 V CB -0.280 31.581 31.823 0.064 0.000 0.964 240 V HN 1.376 9.566 8.190 -0.000 0.000 0.494 241 Y N 1.610 121.960 120.300 0.083 0.000 3.491 241 Y HA -0.143 4.509 4.550 0.171 0.000 0.215 241 Y C 1.698 177.680 175.900 0.138 0.000 1.219 241 Y CA 1.197 59.349 58.100 0.086 0.000 1.485 241 Y CB -1.729 36.779 38.460 0.079 0.000 1.450 241 Y HN 1.667 9.947 8.280 -0.000 0.000 0.603 242 G N 0.316 109.256 108.800 0.233 0.000 2.379 242 G HA2 -0.312 3.753 3.960 0.175 0.000 0.297 242 G HA3 -0.312 3.753 3.960 0.175 0.000 0.297 242 G C 0.083 175.252 174.900 0.449 0.000 1.004 242 G CA 0.766 46.070 45.100 0.340 0.000 0.921 242 G HN 0.523 8.813 8.290 -0.000 0.000 0.511 243 T N 0.465 115.211 114.554 0.321 0.000 2.753 243 T HA 0.730 5.185 4.350 0.175 0.000 0.297 243 T C 0.372 175.144 174.700 0.120 0.000 0.981 243 T CA 0.570 62.830 62.100 0.267 0.000 0.956 243 T CB 1.506 70.528 68.868 0.255 0.000 0.936 243 T HN 1.497 9.737 8.240 -0.000 0.000 0.463 244 A N 4.317 127.186 122.820 0.082 0.000 2.599 244 A HA 0.892 5.317 4.320 0.175 0.000 0.290 244 A C -1.133 176.353 177.584 -0.163 0.000 1.101 244 A CA -1.168 50.818 52.037 -0.086 0.000 0.674 244 A CB 1.627 20.541 19.000 -0.145 0.000 1.277 244 A HN 0.866 9.016 8.150 -0.000 0.000 0.419 245 N N -0.122 118.400 118.700 -0.296 0.000 3.227 245 N HA 0.677 5.522 4.740 0.175 0.000 0.241 245 N C -1.870 173.369 175.510 -0.452 0.000 1.480 245 N CA -0.480 52.240 53.050 -0.551 0.000 0.886 245 N CB 1.502 39.240 38.487 -1.248 0.000 1.406 245 N HN 0.571 8.951 8.380 -0.000 0.000 0.514 246 D N -1.880 118.241 120.400 -0.465 0.000 2.769 246 D HA 0.409 5.154 4.640 0.175 0.000 0.219 246 D C -1.876 174.332 176.300 -0.153 0.000 1.245 246 D CA -0.389 53.418 54.000 -0.323 0.000 0.801 246 D CB 1.244 41.923 40.800 -0.201 0.000 1.598 246 D HN 0.575 8.945 8.370 -0.000 0.000 0.485 247 Y N 0.237 120.509 120.300 -0.047 0.000 2.536 247 Y HA 0.947 5.601 4.550 0.173 0.000 0.347 247 Y C -1.073 174.818 175.900 -0.015 0.000 1.000 247 Y CA -1.265 56.858 58.100 0.038 0.000 1.051 247 Y CB 1.708 40.263 38.460 0.159 0.000 1.259 247 Y HN 0.474 8.754 8.280 -0.000 0.000 0.468 248 A N 1.465 124.433 122.820 0.246 0.000 2.594 248 A HA 0.711 5.136 4.320 0.175 0.000 0.295 248 A C -1.965 175.630 177.584 0.019 0.000 1.071 248 A CA -0.865 51.236 52.037 0.105 0.000 0.685 248 A CB 1.519 20.544 19.000 0.040 0.000 1.285 248 A HN 0.707 8.857 8.150 -0.000 0.000 0.405 249 V N 1.246 121.109 119.914 -0.084 0.000 2.427 249 V HA 0.563 4.788 4.120 0.175 0.000 0.286 249 V C -0.341 175.492 176.094 -0.437 0.000 1.034 249 V CA -0.514 61.575 62.300 -0.352 0.000 0.893 249 V CB 1.348 32.830 31.823 -0.568 0.000 0.982 249 V HN 0.657 8.847 8.190 -0.000 0.000 0.452 250 V N 3.754 123.389 119.914 -0.464 0.000 2.448 250 V HA 0.410 4.635 4.120 0.175 0.000 0.295 250 V C -0.733 175.132 176.094 -0.380 0.000 1.025 250 V CA -0.637 61.541 62.300 -0.202 0.000 0.859 250 V CB 2.035 33.878 31.823 0.034 0.000 0.988 250 V HN 0.851 9.041 8.190 -0.000 0.000 0.431 251 W N 5.897 127.158 121.300 -0.065 0.000 2.288 251 W HA 0.370 5.133 4.660 0.172 0.000 0.325 251 W C -2.519 173.765 176.519 -0.392 0.000 1.019 251 W CA -1.770 55.468 57.345 -0.177 0.000 1.403 251 W CB 1.549 30.944 29.460 -0.109 0.000 1.226 251 W HN 0.393 8.573 8.180 -0.000 0.000 0.391 255 G N 1.736 110.471 108.800 -0.109 0.000 2.143 255 G HA2 -0.207 3.858 3.960 0.175 0.000 0.248 255 G HA3 -0.207 3.858 3.960 0.175 0.000 0.248 255 G C 0.022 174.865 174.900 -0.096 0.000 0.991 255 G CA -0.017 45.040 45.100 -0.072 0.000 0.689 255 G HN 0.779 9.069 8.290 -0.000 0.000 0.522 256 R N -0.509 119.901 120.500 -0.150 0.000 2.771 256 R HA 0.790 5.235 4.340 0.175 0.000 0.274 256 R C 0.402 176.622 176.300 -0.133 0.000 0.987 256 R CA -0.147 55.859 56.100 -0.157 0.000 0.908 256 R CB 1.231 31.385 30.300 -0.244 0.000 1.213 256 R HN 0.794 9.064 8.270 -0.000 0.000 0.468 257 A N 3.602 126.357 122.820 -0.108 0.000 2.483 257 A HA 0.339 4.764 4.320 0.175 0.000 0.238 257 A C -1.928 175.549 177.584 -0.178 0.000 1.070 257 A CA -0.661 51.317 52.037 -0.098 0.000 0.770 257 A CB -0.550 18.403 19.000 -0.079 0.000 1.008 257 A HN 0.326 8.476 8.150 -0.000 0.000 0.497 258 P HA 0.225 4.645 4.420 -0.000 0.000 0.268 258 P C -0.679 176.421 177.300 -0.333 0.000 1.208 258 P CA 0.378 63.207 63.100 -0.452 0.000 0.777 258 P CB 0.400 31.657 31.700 -0.739 0.000 0.875 259 I N 1.210 121.574 120.570 -0.344 0.000 2.441 259 I HA 0.306 4.581 4.170 0.175 0.000 0.295 259 I C -0.171 175.813 176.117 -0.222 0.000 0.994 259 I CA -0.997 60.174 61.300 -0.214 0.000 1.144 259 I CB 1.923 39.847 38.000 -0.126 0.000 1.314 259 I HN -0.018 8.192 8.210 -0.000 0.000 0.445 260 V N 6.919 126.747 119.914 -0.142 0.000 2.495 260 V HA 0.625 4.850 4.120 0.175 0.000 0.298 260 V C -0.282 175.804 176.094 -0.014 0.000 1.031 260 V CA -0.618 61.630 62.300 -0.086 0.000 0.871 260 V CB 1.664 33.454 31.823 -0.055 0.000 0.988 260 V HN 0.611 8.801 8.190 -0.000 0.000 0.432 261 L N 2.244 123.492 121.223 0.042 0.000 2.540 261 L HA 1.117 5.562 4.340 0.175 0.000 0.256 261 L C -0.851 176.127 176.870 0.180 0.000 1.001 261 L CA -0.833 54.061 54.840 0.090 0.000 0.843 261 L CB 2.348 44.438 42.059 0.051 0.000 1.436 261 L HN 0.688 8.918 8.230 -0.000 0.000 0.410 262 A N 1.563 124.516 122.820 0.220 0.000 2.398 262 A HA 0.837 5.262 4.320 0.175 0.000 0.301 262 A C -1.350 176.391 177.584 0.261 0.000 1.041 262 A CA -0.572 51.664 52.037 0.332 0.000 0.711 262 A CB 2.090 21.345 19.000 0.424 0.000 1.240 262 A HN 0.608 8.758 8.150 -0.000 0.000 0.420 263 V N 2.872 122.903 119.914 0.195 0.000 2.482 263 V HA 0.505 4.729 4.120 0.175 0.000 0.295 263 V C -1.501 174.533 176.094 -0.100 0.000 1.026 263 V CA -0.381 61.955 62.300 0.060 0.000 0.856 263 V CB 1.051 32.874 31.823 -0.001 0.000 1.001 263 V HN 0.796 8.986 8.190 -0.000 0.000 0.424 264 Y N 2.198 122.306 120.300 -0.319 0.000 2.462 264 Y HA 0.753 5.406 4.550 0.172 0.000 0.346 264 Y C 0.532 176.142 175.900 -0.483 0.000 0.976 264 Y CA -0.666 57.168 58.100 -0.443 0.000 1.044 264 Y CB 2.572 40.590 38.460 -0.737 0.000 1.230 264 Y HN 0.723 9.003 8.280 -0.000 0.000 0.455 265 T N 1.027 115.574 114.554 -0.012 0.000 2.906 265 T HA 0.961 5.416 4.350 0.175 0.000 0.295 265 T C -0.833 174.185 174.700 0.529 0.000 1.075 265 T CA -1.007 61.227 62.100 0.223 0.000 1.005 265 T CB 2.554 71.401 68.868 -0.035 0.000 1.136 265 T HN 0.858 9.098 8.240 -0.000 0.000 0.498 266 R N 0.275 121.155 120.500 0.633 0.000 2.733 266 R HA 0.872 5.316 4.340 0.175 0.000 0.272 266 R C -1.780 174.789 176.300 0.448 0.000 1.029 266 R CA -1.393 55.001 56.100 0.491 0.000 0.888 266 R CB 1.150 31.654 30.300 0.340 0.000 1.251 266 R HN 1.048 9.318 8.270 -0.000 0.000 0.464 267 A N 0.390 123.391 122.820 0.301 0.000 2.606 267 A HA 0.644 5.069 4.320 0.175 0.000 0.293 267 A C -2.494 175.208 177.584 0.197 0.000 1.082 267 A CA -1.465 50.674 52.037 0.169 0.000 0.685 267 A CB 1.828 20.830 19.000 0.003 0.000 1.284 267 A HN 0.623 8.773 8.150 -0.000 0.000 0.408 268 P HA 0.011 4.431 4.420 -0.000 0.000 0.222 268 P C -0.140 177.328 177.300 0.280 0.000 1.153 268 P CA 0.870 64.062 63.100 0.154 0.000 0.798 268 P CB 0.155 31.901 31.700 0.077 0.000 0.796 269 N N -0.134 118.686 118.700 0.200 0.000 2.370 269 N HA 0.113 4.958 4.740 0.175 0.000 0.303 269 N C 0.897 176.255 175.510 -0.255 0.000 1.103 269 N CA -0.536 52.562 53.050 0.079 0.000 0.848 269 N CB 2.084 40.572 38.487 0.003 0.000 1.235 269 N HN -0.129 8.251 8.380 -0.000 0.000 0.496 270 K N 0.444 120.475 120.400 -0.615 0.000 2.063 270 K HA -0.117 4.307 4.320 0.175 0.000 0.208 270 K C -0.202 176.085 176.600 -0.521 0.000 1.048 270 K CA 1.538 57.137 56.287 -1.145 0.000 0.928 270 K CB 0.186 32.267 32.500 -0.698 0.000 0.713 270 K HN 0.389 8.639 8.250 -0.000 0.000 0.442 271 D N 1.084 121.324 120.400 -0.266 0.000 2.325 271 D HA 0.032 4.777 4.640 0.175 0.000 0.225 271 D C -0.728 175.516 176.300 -0.092 0.000 1.096 271 D CA 0.171 54.088 54.000 -0.138 0.000 0.844 271 D CB 0.022 40.768 40.800 -0.089 0.000 0.925 271 D HN 0.155 8.525 8.370 -0.000 0.000 0.513 272 D N 1.148 121.486 120.400 -0.102 0.000 2.424 272 D HA 0.051 4.795 4.640 0.175 0.000 0.244 272 D C 0.566 176.858 176.300 -0.014 0.000 1.134 272 D CA 0.390 54.348 54.000 -0.070 0.000 0.881 272 D CB 0.958 41.711 40.800 -0.079 0.000 1.191 272 D HN -0.043 8.327 8.370 -0.000 0.000 0.445 273 K N 1.480 121.871 120.400 -0.016 0.000 2.205 273 K HA 0.182 4.606 4.320 0.175 0.000 0.279 273 K C 0.316 177.012 176.600 0.161 0.000 1.027 273 K CA -0.642 55.673 56.287 0.046 0.000 0.932 273 K CB 0.801 33.288 32.500 -0.020 0.000 1.032 273 K HN 0.560 8.810 8.250 -0.000 0.000 0.466 274 H N -0.938 118.243 119.070 0.184 0.000 2.660 274 H HA 0.277 4.941 4.556 0.180 0.000 0.374 274 H C -0.509 174.967 175.328 0.247 0.000 1.291 274 H CA -0.648 55.572 56.048 0.288 0.000 1.437 274 H CB 1.059 30.915 29.762 0.155 0.000 1.509 274 H HN 0.340 8.620 8.280 -0.000 0.000 0.614 275 S N 0.256 116.038 115.700 0.137 0.000 2.736 275 S HA 0.141 4.716 4.470 0.175 0.000 0.285 275 S C 0.327 174.920 174.600 -0.012 0.000 1.163 275 S CA -0.774 57.415 58.200 -0.019 0.000 1.025 275 S CB 1.108 64.360 63.200 0.087 0.000 1.030 275 S HN 0.847 9.157 8.310 -0.000 0.000 0.486 276 E N 3.128 123.323 120.200 -0.008 0.000 2.106 276 E HA -0.082 4.372 4.350 0.175 0.000 0.192 276 E C 2.180 178.768 176.600 -0.020 0.000 0.984 276 E CA 1.146 57.557 56.400 0.020 0.000 0.806 276 E CB -0.115 29.613 29.700 0.047 0.000 0.750 276 E HN 0.779 9.139 8.360 -0.000 0.000 0.458 277 A N 1.222 124.020 122.820 -0.036 0.000 1.940 277 A HA -0.156 4.269 4.320 0.175 0.000 0.219 277 A C 2.514 180.066 177.584 -0.054 0.000 1.176 277 A CA 1.199 53.214 52.037 -0.037 0.000 0.631 277 A CB -0.669 18.310 19.000 -0.035 0.000 0.814 277 A HN 0.113 8.263 8.150 -0.000 0.000 0.446 278 V N 0.109 119.973 119.914 -0.083 0.000 2.427 278 V HA -0.254 3.970 4.120 0.175 0.000 0.248 278 V C 2.398 178.412 176.094 -0.134 0.000 1.051 278 V CA 1.937 64.155 62.300 -0.138 0.000 1.048 278 V CB -0.625 31.020 31.823 -0.297 0.000 0.666 278 V HN 0.578 8.768 8.190 -0.000 0.000 0.456 279 I N 0.394 120.888 120.570 -0.127 0.000 2.179 279 I HA -0.238 4.037 4.170 0.175 0.000 0.242 279 I C 2.685 178.772 176.117 -0.050 0.000 1.088 279 I CA 1.532 62.776 61.300 -0.093 0.000 1.357 279 I CB -0.615 37.329 38.000 -0.093 0.000 1.051 279 I HN 0.289 8.499 8.210 -0.000 0.000 0.409 280 A N 0.770 123.565 122.820 -0.041 0.000 1.902 280 A HA -0.189 4.236 4.320 0.175 0.000 0.217 280 A C 2.538 180.100 177.584 -0.037 0.000 1.181 280 A CA 1.964 53.982 52.037 -0.030 0.000 0.623 280 A CB -0.876 18.111 19.000 -0.020 0.000 0.818 280 A HN 0.444 8.594 8.150 -0.000 0.000 0.443 281 A N -0.245 122.544 122.820 -0.051 0.000 1.902 281 A HA 0.167 4.592 4.320 0.175 0.000 0.217 281 A C 2.491 180.030 177.584 -0.075 0.000 1.181 281 A CA 2.072 54.067 52.037 -0.070 0.000 0.623 281 A CB -0.956 17.996 19.000 -0.079 0.000 0.818 281 A HN 1.055 9.205 8.150 -0.000 0.000 0.443 282 A N -0.174 122.629 122.820 -0.028 0.000 1.898 282 A HA 0.197 4.622 4.320 0.175 0.000 0.216 282 A C 2.491 180.160 177.584 0.142 0.000 1.181 282 A CA 1.945 54.033 52.037 0.085 0.000 0.620 282 A CB -0.963 18.127 19.000 0.150 0.000 0.819 282 A HN 1.027 9.177 8.150 -0.000 0.000 0.442 283 A N -0.162 122.698 122.820 0.067 0.000 1.902 283 A HA -0.167 4.258 4.320 0.175 0.000 0.217 283 A C 2.246 179.857 177.584 0.045 0.000 1.181 283 A CA 1.513 53.588 52.037 0.064 0.000 0.623 283 A CB -0.475 18.541 19.000 0.027 0.000 0.818 283 A HN 0.545 8.695 8.150 -0.000 0.000 0.443 284 R N -0.668 119.829 120.500 -0.004 0.000 2.083 284 R HA -0.090 4.355 4.340 0.175 0.000 0.237 284 R C 2.096 178.377 176.300 -0.032 0.000 1.137 284 R CA 1.604 57.684 56.100 -0.033 0.000 0.951 284 R CB -0.595 29.665 30.300 -0.067 0.000 0.851 284 R HN 0.514 8.784 8.270 -0.000 0.000 0.434 285 L N 0.142 121.317 121.223 -0.080 0.000 2.083 285 L HA -0.189 4.256 4.340 0.175 0.000 0.209 285 L C 2.701 179.629 176.870 0.097 0.000 1.083 285 L CA 1.241 55.993 54.840 -0.148 0.000 0.752 285 L CB -0.568 41.113 42.059 -0.630 0.000 0.899 285 L HN 0.273 8.503 8.230 -0.000 0.000 0.433 286 A N 0.172 123.138 122.820 0.244 0.000 1.877 286 A HA -0.178 4.247 4.320 0.175 0.000 0.216 286 A C 2.234 179.889 177.584 0.118 0.000 1.186 286 A CA 1.500 53.683 52.037 0.243 0.000 0.620 286 A CB -0.730 18.378 19.000 0.180 0.000 0.822 286 A HN 0.360 8.510 8.150 -0.000 0.000 0.443 287 L N -0.846 120.431 121.223 0.090 0.000 2.083 287 L HA -0.209 4.236 4.340 0.175 0.000 0.209 287 L C 2.569 179.483 176.870 0.074 0.000 1.083 287 L CA 1.686 56.580 54.840 0.089 0.000 0.752 287 L CB -0.640 41.480 42.059 0.101 0.000 0.899 287 L HN 0.474 8.704 8.230 -0.000 0.000 0.433 288 E N 0.022 120.250 120.200 0.046 0.000 2.106 288 E HA -0.144 4.311 4.350 0.175 0.000 0.192 288 E C 2.160 178.784 176.600 0.039 0.000 0.984 288 E CA 1.042 57.459 56.400 0.028 0.000 0.806 288 E CB -0.257 29.437 29.700 -0.010 0.000 0.750 288 E HN 0.521 8.881 8.360 -0.000 0.000 0.458 289 G N 0.572 109.409 108.800 0.063 0.000 2.650 289 G HA2 -0.013 4.052 3.960 0.175 0.000 0.214 289 G HA3 -0.013 4.052 3.960 0.175 0.000 0.214 289 G C 0.549 175.479 174.900 0.050 0.000 1.136 289 G CA -0.199 44.944 45.100 0.073 0.000 0.789 289 G HN 0.025 8.315 8.290 -0.000 0.000 0.536 290 L N 1.494 122.742 121.223 0.040 0.000 2.380 290 L HA 0.394 4.839 4.340 0.175 0.000 0.273 290 L C 1.450 178.328 176.870 0.013 0.000 1.138 290 L CA -0.651 54.197 54.840 0.013 0.000 0.832 290 L CB 1.014 43.076 42.059 0.005 0.000 1.124 290 L HN 0.161 8.391 8.230 -0.000 0.000 0.454 291 G N 0.000 108.800 108.800 -0.000 0.000 5.446 291 G HA2 0.000 4.065 3.960 0.175 0.000 0.244 291 G HA3 0.000 4.065 3.960 0.175 0.000 0.244 291 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 291 G HN 0.000 8.290 8.290 -0.000 0.000 0.925