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 1m1e_1_A DATA FIRST_RESID 151 DATA SEQUENCE RAIPELTKLL NDEDQVVVNK AAVMVHQLSK KEASRHAIMR SPQMVSAIVR DATA SEQUENCE TMQNTNDVET ARCTAGTLHN LSHHREGLLA IFKSGGIPAL VKMLGSPVDS DATA SEQUENCE VLFYAITTLH NLLLHQEGAK MAVRLAGGLQ KMVALLNKTN VKFLAITTDC DATA SEQUENCE LQILAYGNQE SKLIILASGG PQALVNIMRT YTYEKLLWTT SRVLKVLSVC DATA SEQUENCE SSNKPAIVEA GGMQALGLHL TDPSQRLVQN CLWTLRNLSD AATKQEGMEG DATA SEQUENCE LLGTLVQLLG SDDINVVTCA AGILSNLTCN NYKNKMMVCQ VGGIEALVRT DATA SEQUENCE VLRAGDREDI TEPAICALRH LTSRHQEAEM AQNAVRLHYG LPVVVKLLHP DATA SEQUENCE PSHWPLIKAT VGLIRNLALC PANHAPLREQ GAIPRLVQLL VRAHQDTQRX DATA SEQUENCE XXXXXXXXQF VEGVRMEEIV EGCTGALHIL ARDVHNRIVI RGLNTIPLFV DATA SEQUENCE QLLYSPIENI QRVAAGVLCE LAQDKEAAEA IEAEGATAPL TELLHSRNEG DATA SEQUENCE VATYAAAVLF RMSEDKPQDY K 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 151 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 151 R C 0.000 176.302 176.300 0.003 0.000 0.893 151 R CA 0.000 56.101 56.100 0.002 0.000 0.921 151 R CB 0.000 30.300 30.300 0.001 0.000 0.687 152 A N 1.037 123.858 122.820 0.002 0.000 1.865 152 A HA -0.021 4.302 4.320 0.005 0.000 0.217 152 A C 2.219 179.807 177.584 0.006 0.000 1.191 152 A CA 1.987 54.026 52.037 0.004 0.000 0.623 152 A CB -0.811 18.190 19.000 0.002 0.000 0.826 152 A HN 0.429 8.579 8.150 -0.000 0.000 0.444 153 I N 0.238 120.812 120.570 0.006 0.000 2.087 153 I HA -0.210 3.963 4.170 0.005 0.000 0.240 153 I C -0.178 175.944 176.117 0.008 0.000 1.054 153 I CA 1.990 63.295 61.300 0.009 0.000 1.311 153 I CB -2.662 35.343 38.000 0.009 0.000 1.024 153 I HN 0.167 8.377 8.210 -0.000 0.000 0.402 154 P HA -0.154 4.266 4.420 -0.000 0.000 0.215 154 P C 1.756 179.060 177.300 0.006 0.000 1.157 154 P CA 2.813 65.917 63.100 0.006 0.000 0.874 154 P CB -0.112 31.591 31.700 0.005 0.000 0.790 155 E N -0.070 120.134 120.200 0.006 0.000 2.051 155 E HA -0.170 4.183 4.350 0.005 0.000 0.192 155 E C 1.999 178.604 176.600 0.008 0.000 0.991 155 E CA 1.408 57.812 56.400 0.006 0.000 0.799 155 E CB -1.731 27.973 29.700 0.006 0.000 0.748 155 E HN 0.179 8.539 8.360 -0.000 0.000 0.449 156 L N 0.646 121.875 121.223 0.010 0.000 2.042 156 L HA -0.161 4.183 4.340 0.005 0.000 0.210 156 L C 2.993 179.871 176.870 0.013 0.000 1.076 156 L CA 1.972 56.819 54.840 0.012 0.000 0.749 156 L CB -0.655 41.412 42.059 0.014 0.000 0.893 156 L HN 0.333 8.563 8.230 -0.000 0.000 0.432 157 T N -0.263 114.297 114.554 0.012 0.000 2.684 157 T HA -0.241 4.112 4.350 0.005 0.000 0.267 157 T C 2.357 177.062 174.700 0.009 0.000 1.036 157 T CA 2.131 64.238 62.100 0.011 0.000 1.148 157 T CB -0.319 68.555 68.868 0.010 0.000 0.863 157 T HN 0.476 8.716 8.240 -0.000 0.000 0.436 158 K N 1.292 121.697 120.400 0.008 0.000 2.026 158 K HA 0.060 4.383 4.320 0.005 0.000 0.208 158 K C 2.283 178.887 176.600 0.008 0.000 1.048 158 K CA 1.435 57.726 56.287 0.007 0.000 0.929 158 K CB -1.393 31.111 32.500 0.006 0.000 0.713 158 K HN 0.445 8.695 8.250 -0.000 0.000 0.439 159 L N 0.070 121.298 121.223 0.009 0.000 2.079 159 L HA -0.123 4.220 4.340 0.005 0.000 0.210 159 L C 2.771 179.647 176.870 0.011 0.000 1.081 159 L CA 1.101 55.946 54.840 0.010 0.000 0.752 159 L CB -0.392 41.673 42.059 0.011 0.000 0.896 159 L HN 0.296 8.526 8.230 -0.000 0.000 0.433 160 L N -0.302 120.928 121.223 0.012 0.000 2.201 160 L HA -0.168 4.175 4.340 0.005 0.000 0.212 160 L C 1.905 178.781 176.870 0.010 0.000 1.105 160 L CA 0.828 55.676 54.840 0.012 0.000 0.775 160 L CB -0.407 41.660 42.059 0.014 0.000 0.913 160 L HN 0.399 8.629 8.230 -0.000 0.000 0.440 161 N N -0.866 117.839 118.700 0.009 0.000 2.412 161 N HA -0.055 4.688 4.740 0.005 0.000 0.184 161 N C 0.451 175.965 175.510 0.006 0.000 1.101 161 N CA 0.219 53.273 53.050 0.007 0.000 0.881 161 N CB -0.082 38.408 38.487 0.006 0.000 0.969 161 N HN 0.302 8.682 8.380 -0.000 0.000 0.459 162 D N 1.288 121.693 120.400 0.007 0.000 2.443 162 D HA -0.071 4.572 4.640 0.005 0.000 0.234 162 D C 0.471 176.774 176.300 0.006 0.000 1.172 162 D CA 0.346 54.349 54.000 0.006 0.000 0.878 162 D CB 1.149 41.953 40.800 0.007 0.000 1.204 162 D HN 0.027 8.397 8.370 -0.000 0.000 0.453 163 E N 0.604 120.807 120.200 0.005 0.000 2.285 163 E HA -0.052 4.301 4.350 0.005 0.000 0.194 163 E C -0.022 176.581 176.600 0.005 0.000 0.997 163 E CA 0.317 56.720 56.400 0.005 0.000 0.845 163 E CB 0.058 29.760 29.700 0.004 0.000 0.782 163 E HN 0.364 8.724 8.360 -0.000 0.000 0.491 164 D N 0.610 121.014 120.400 0.006 0.000 2.374 164 D HA -0.023 4.621 4.640 0.005 0.000 0.240 164 D C 0.920 177.224 176.300 0.007 0.000 1.229 164 D CA 0.038 54.041 54.000 0.006 0.000 0.895 164 D CB 0.547 41.351 40.800 0.006 0.000 1.046 164 D HN -0.028 8.342 8.370 -0.000 0.000 0.498 165 Q N 2.677 122.481 119.800 0.007 0.000 2.217 165 Q HA -0.190 4.153 4.340 0.005 0.000 0.209 165 Q C 1.382 177.387 176.000 0.008 0.000 0.988 165 Q CA 1.377 57.185 55.803 0.007 0.000 0.878 165 Q CB 0.201 28.943 28.738 0.007 0.000 0.909 165 Q HN 0.518 8.788 8.270 -0.000 0.000 0.424 166 V N -0.066 119.853 119.914 0.008 0.000 2.594 166 V HA -0.197 3.926 4.120 0.005 0.000 0.253 166 V C 2.088 178.188 176.094 0.010 0.000 1.069 166 V CA 1.475 63.780 62.300 0.009 0.000 1.082 166 V CB -0.238 31.590 31.823 0.008 0.000 0.680 166 V HN 0.366 8.556 8.190 -0.000 0.000 0.469 167 V N 0.537 120.456 119.914 0.010 0.000 2.649 167 V HA -0.104 4.019 4.120 0.005 0.000 0.248 167 V C 2.466 178.568 176.094 0.013 0.000 1.054 167 V CA 1.835 64.142 62.300 0.011 0.000 1.073 167 V CB 0.690 32.518 31.823 0.009 0.000 0.699 167 V HN 0.489 8.679 8.190 -0.000 0.000 0.463 168 V N -0.197 119.724 119.914 0.012 0.000 2.295 168 V HA -0.224 3.899 4.120 0.005 0.000 0.246 168 V C 2.165 178.269 176.094 0.016 0.000 1.049 168 V CA 2.654 64.962 62.300 0.014 0.000 1.024 168 V CB -1.584 30.246 31.823 0.012 0.000 0.648 168 V HN 0.585 8.775 8.190 -0.000 0.000 0.447 169 N N 1.030 119.739 118.700 0.015 0.000 2.205 169 N HA -0.165 4.578 4.740 0.005 0.000 0.186 169 N C 1.808 177.331 175.510 0.022 0.000 1.015 169 N CA 2.012 55.072 53.050 0.017 0.000 0.862 169 N CB -0.463 38.033 38.487 0.015 0.000 0.986 169 N HN 0.700 9.080 8.380 -0.000 0.000 0.429 170 K N 0.062 120.474 120.400 0.020 0.000 2.296 170 K HA 0.167 4.490 4.320 0.005 0.000 0.200 170 K C 1.668 178.283 176.600 0.025 0.000 1.048 170 K CA 0.682 56.982 56.287 0.022 0.000 0.966 170 K CB 0.064 32.575 32.500 0.018 0.000 0.754 170 K HN 0.150 8.400 8.250 -0.000 0.000 0.466 171 A N 0.626 123.460 122.820 0.023 0.000 1.975 171 A HA 0.110 4.433 4.320 0.005 0.000 0.215 171 A C 2.196 179.800 177.584 0.033 0.000 1.170 171 A CA 1.141 53.193 52.037 0.025 0.000 0.656 171 A CB -0.401 18.611 19.000 0.020 0.000 0.821 171 A HN 0.383 8.533 8.150 -0.000 0.000 0.449 172 A N -0.269 122.572 122.820 0.035 0.000 1.898 172 A HA 0.021 4.344 4.320 0.005 0.000 0.216 172 A C 2.171 179.800 177.584 0.074 0.000 1.181 172 A CA 1.696 53.759 52.037 0.044 0.000 0.620 172 A CB -0.892 18.124 19.000 0.028 0.000 0.819 172 A HN 0.343 8.493 8.150 -0.000 0.000 0.442 173 V N 0.055 120.011 119.914 0.070 0.000 2.332 173 V HA -0.310 3.813 4.120 0.005 0.000 0.248 173 V C 2.705 178.855 176.094 0.094 0.000 1.055 173 V CA 2.052 64.413 62.300 0.101 0.000 1.038 173 V CB -0.703 31.163 31.823 0.072 0.000 0.651 173 V HN 0.496 8.686 8.190 -0.000 0.000 0.450 174 M N -0.490 119.145 119.600 0.058 0.000 2.086 174 M HA -0.134 4.349 4.480 0.005 0.000 0.261 174 M C 2.270 178.592 176.300 0.037 0.000 1.067 174 M CA 1.707 57.029 55.300 0.037 0.000 1.116 174 M CB -1.105 31.510 32.600 0.026 0.000 1.348 174 M HN 0.292 8.582 8.290 -0.000 0.000 0.407 175 V N -0.591 119.354 119.914 0.051 0.000 2.295 175 V HA -0.289 3.834 4.120 0.005 0.000 0.246 175 V C 2.435 178.570 176.094 0.068 0.000 1.049 175 V CA 2.302 64.632 62.300 0.050 0.000 1.024 175 V CB -1.200 30.655 31.823 0.054 0.000 0.648 175 V HN 0.475 8.665 8.190 -0.000 0.000 0.447 176 H N 0.324 119.394 119.070 -0.000 0.000 2.387 176 H HA -0.218 4.341 4.556 0.005 0.000 0.299 176 H C 2.198 177.527 175.328 0.000 0.000 1.099 176 H CA 2.349 58.393 56.048 -0.008 0.000 1.315 176 H CB -0.112 29.646 29.762 -0.007 0.000 1.380 176 H HN 0.403 8.683 8.280 -0.000 0.000 0.513 177 Q N 0.236 119.977 119.800 -0.098 0.000 2.119 177 Q HA -0.018 4.325 4.340 0.005 0.000 0.201 177 Q C 2.254 178.187 176.000 -0.112 0.000 0.972 177 Q CA 1.491 57.208 55.803 -0.144 0.000 0.847 177 Q CB -0.348 28.364 28.738 -0.043 0.000 0.903 177 Q HN 0.630 8.900 8.270 -0.000 0.000 0.433 178 L N 0.095 121.281 121.223 -0.061 0.000 2.217 178 L HA -0.056 4.287 4.340 0.005 0.000 0.211 178 L C 2.135 178.976 176.870 -0.050 0.000 1.107 178 L CA 1.099 55.913 54.840 -0.044 0.000 0.783 178 L CB -0.409 41.639 42.059 -0.018 0.000 0.919 178 L HN 0.280 8.510 8.230 -0.000 0.000 0.442 179 S N -0.908 114.758 115.700 -0.055 0.000 2.555 179 S HA -0.095 4.378 4.470 0.005 0.000 0.230 179 S C 1.609 176.176 174.600 -0.055 0.000 0.978 179 S CA 0.401 58.583 58.200 -0.031 0.000 0.934 179 S CB -0.217 62.986 63.200 0.005 0.000 0.766 179 S HN 0.403 8.713 8.310 -0.000 0.000 0.533 180 K N 0.942 121.278 120.400 -0.107 0.000 2.426 180 K HA 0.167 4.490 4.320 0.005 0.000 0.193 180 K C 0.597 177.159 176.600 -0.065 0.000 1.028 180 K CA 0.692 56.922 56.287 -0.096 0.000 1.047 180 K CB 0.029 32.448 32.500 -0.136 0.000 0.821 180 K HN 0.499 8.749 8.250 -0.000 0.000 0.513 181 K N 1.369 121.730 120.400 -0.066 0.000 2.292 181 K HA 0.158 4.481 4.320 0.005 0.000 0.257 181 K C 0.451 176.986 176.600 -0.108 0.000 0.940 181 K CA -0.567 55.676 56.287 -0.072 0.000 0.811 181 K CB 1.504 33.964 32.500 -0.066 0.000 1.120 181 K HN -0.037 8.213 8.250 -0.000 0.000 0.428 182 E N 2.155 122.272 120.200 -0.138 0.000 2.110 182 E HA -0.307 4.046 4.350 0.005 0.000 0.225 182 E C 2.089 178.418 176.600 -0.453 0.000 1.063 182 E CA 3.212 59.437 56.400 -0.291 0.000 0.906 182 E CB -0.325 29.238 29.700 -0.228 0.000 0.795 182 E HN 0.871 9.231 8.360 -0.000 0.000 0.479 183 A N 0.009 122.663 122.820 -0.277 0.000 1.842 183 A HA -0.288 4.035 4.320 0.005 0.000 0.217 183 A C 2.470 179.976 177.584 -0.129 0.000 1.206 183 A CA 3.614 55.533 52.037 -0.197 0.000 0.630 183 A CB -1.518 17.421 19.000 -0.102 0.000 0.839 183 A HN 0.524 8.674 8.150 -0.000 0.000 0.447 184 S N -0.208 115.440 115.700 -0.087 0.000 2.402 184 S HA -0.264 4.209 4.470 0.005 0.000 0.233 184 S C 2.010 176.594 174.600 -0.027 0.000 1.030 184 S CA 1.497 59.671 58.200 -0.044 0.000 1.003 184 S CB -0.543 62.634 63.200 -0.037 0.000 0.813 184 S HN 0.627 8.937 8.310 -0.000 0.000 0.477 185 R N 0.959 121.428 120.500 -0.052 0.000 2.073 185 R HA -0.134 4.209 4.340 0.005 0.000 0.234 185 R C 2.288 178.637 176.300 0.081 0.000 1.134 185 R CA 1.866 57.971 56.100 0.009 0.000 0.952 185 R CB -0.545 29.762 30.300 0.012 0.000 0.850 185 R HN 0.689 8.959 8.270 -0.000 0.000 0.433 186 H N -0.910 118.101 119.070 -0.098 0.000 2.421 186 H HA -0.052 4.507 4.556 0.005 0.000 0.298 186 H C 1.978 177.268 175.328 -0.064 0.000 1.087 186 H CA 0.570 56.547 56.048 -0.119 0.000 1.330 186 H CB 0.129 29.809 29.762 -0.137 0.000 1.388 186 H HN 0.414 8.694 8.280 -0.000 0.000 0.526 187 A N 1.031 123.898 122.820 0.079 0.000 1.930 187 A HA -0.096 4.227 4.320 0.005 0.000 0.217 187 A C 2.349 179.950 177.584 0.029 0.000 1.175 187 A CA 0.901 52.960 52.037 0.038 0.000 0.627 187 A CB -0.453 18.558 19.000 0.018 0.000 0.815 187 A HN 0.270 8.420 8.150 -0.000 0.000 0.443 188 I N 0.260 120.850 120.570 0.033 0.000 2.163 188 I HA -0.293 3.880 4.170 0.005 0.000 0.240 188 I C 2.757 178.893 176.117 0.032 0.000 1.081 188 I CA 1.880 63.199 61.300 0.031 0.000 1.353 188 I CB -0.400 37.622 38.000 0.036 0.000 1.054 188 I HN 0.525 8.735 8.210 -0.000 0.000 0.407 189 M N -0.170 119.453 119.600 0.037 0.000 2.460 189 M HA -0.097 4.386 4.480 0.005 0.000 0.263 189 M C 1.730 178.035 176.300 0.009 0.000 1.071 189 M CA 1.603 56.919 55.300 0.027 0.000 1.096 189 M CB -0.556 32.059 32.600 0.025 0.000 1.408 189 M HN 0.048 8.338 8.290 -0.000 0.000 0.463 190 R N 0.521 121.023 120.500 0.005 0.000 2.317 190 R HA 0.212 4.555 4.340 0.005 0.000 0.208 190 R C 0.295 176.597 176.300 0.004 0.000 0.914 190 R CA -0.008 56.090 56.100 -0.003 0.000 1.060 190 R CB 0.434 30.729 30.300 -0.009 0.000 1.015 190 R HN 0.294 8.564 8.270 -0.000 0.000 0.498 191 S N 1.000 116.706 115.700 0.010 0.000 2.532 191 S HA 0.281 4.754 4.470 0.005 0.000 0.318 191 S C -2.040 172.567 174.600 0.011 0.000 1.083 191 S CA -2.050 56.155 58.200 0.010 0.000 1.131 191 S CB 1.117 64.324 63.200 0.011 0.000 0.973 191 S HN -0.118 8.192 8.310 -0.000 0.000 0.468 192 P HA -0.133 4.287 4.420 -0.000 0.000 0.216 192 P C 1.153 178.457 177.300 0.007 0.000 1.153 192 P CA 1.159 64.263 63.100 0.008 0.000 0.858 192 P CB 0.194 31.897 31.700 0.004 0.000 0.789 193 Q N -1.694 118.110 119.800 0.006 0.000 2.084 193 Q HA -0.154 4.189 4.340 0.005 0.000 0.202 193 Q C 2.173 178.179 176.000 0.009 0.000 0.978 193 Q CA 1.506 57.312 55.803 0.006 0.000 0.844 193 Q CB -0.939 27.801 28.738 0.005 0.000 0.898 193 Q HN 0.188 8.458 8.270 -0.000 0.000 0.426 194 M N -0.261 119.346 119.600 0.012 0.000 2.067 194 M HA -0.128 4.355 4.480 0.005 0.000 0.260 194 M C 1.790 178.101 176.300 0.018 0.000 1.069 194 M CA 1.496 56.805 55.300 0.015 0.000 1.117 194 M CB -0.423 32.188 32.600 0.018 0.000 1.334 194 M HN 0.057 8.347 8.290 -0.000 0.000 0.407 195 V N -0.171 119.756 119.914 0.020 0.000 2.392 195 V HA -0.275 3.848 4.120 0.005 0.000 0.249 195 V C 2.355 178.460 176.094 0.018 0.000 1.059 195 V CA 2.113 64.428 62.300 0.024 0.000 1.051 195 V CB -1.259 30.580 31.823 0.027 0.000 0.658 195 V HN 0.572 8.762 8.190 -0.000 0.000 0.455 196 S N 0.077 115.784 115.700 0.011 0.000 2.383 196 S HA -0.127 4.346 4.470 0.005 0.000 0.227 196 S C 2.231 176.836 174.600 0.008 0.000 1.026 196 S CA 1.320 59.523 58.200 0.005 0.000 0.981 196 S CB -0.448 62.752 63.200 -0.000 0.000 0.818 196 S HN 0.663 8.973 8.310 -0.000 0.000 0.472 197 A N 1.676 124.502 122.820 0.010 0.000 1.877 197 A HA -0.047 4.276 4.320 0.005 0.000 0.216 197 A C 2.059 179.652 177.584 0.014 0.000 1.186 197 A CA 1.230 53.274 52.037 0.011 0.000 0.620 197 A CB -0.762 18.245 19.000 0.012 0.000 0.822 197 A HN 0.477 8.627 8.150 -0.000 0.000 0.443 198 I N -0.292 120.289 120.570 0.018 0.000 2.163 198 I HA -0.239 3.934 4.170 0.005 0.000 0.243 198 I C 2.314 178.443 176.117 0.020 0.000 1.085 198 I CA 1.280 62.593 61.300 0.022 0.000 1.347 198 I CB -0.447 37.569 38.000 0.028 0.000 1.044 198 I HN 0.150 8.360 8.210 -0.000 0.000 0.408 199 V N 0.920 120.846 119.914 0.020 0.000 2.407 199 V HA -0.257 3.866 4.120 0.005 0.000 0.248 199 V C 2.574 178.677 176.094 0.015 0.000 1.055 199 V CA 1.828 64.140 62.300 0.019 0.000 1.049 199 V CB -0.791 31.041 31.823 0.015 0.000 0.662 199 V HN 0.386 8.576 8.190 -0.000 0.000 0.455 200 R N -0.348 120.159 120.500 0.011 0.000 2.057 200 R HA -0.093 4.250 4.340 0.005 0.000 0.229 200 R C 2.432 178.739 176.300 0.011 0.000 1.136 200 R CA 1.782 57.888 56.100 0.009 0.000 0.952 200 R CB -0.928 29.376 30.300 0.006 0.000 0.848 200 R HN 0.456 8.726 8.270 -0.000 0.000 0.430 201 T N 1.966 116.528 114.554 0.013 0.000 2.699 201 T HA -0.220 4.133 4.350 0.005 0.000 0.268 201 T C 1.757 176.466 174.700 0.014 0.000 1.036 201 T CA 1.635 63.742 62.100 0.013 0.000 1.147 201 T CB -0.141 68.736 68.868 0.014 0.000 0.862 201 T HN 0.244 8.484 8.240 -0.000 0.000 0.446 202 M N 1.374 120.984 119.600 0.017 0.000 2.067 202 M HA -0.144 4.339 4.480 0.005 0.000 0.260 202 M C 2.237 178.550 176.300 0.022 0.000 1.069 202 M CA 1.667 56.979 55.300 0.021 0.000 1.117 202 M CB -0.210 32.406 32.600 0.026 0.000 1.334 202 M HN 0.284 8.574 8.290 -0.000 0.000 0.407 203 Q N -0.944 118.868 119.800 0.021 0.000 2.329 203 Q HA 0.031 4.374 4.340 0.005 0.000 0.208 203 Q C 0.147 176.156 176.000 0.015 0.000 0.934 203 Q CA 0.316 56.131 55.803 0.020 0.000 0.951 203 Q CB -0.014 28.735 28.738 0.019 0.000 1.017 203 Q HN 0.533 8.803 8.270 -0.000 0.000 0.490 204 N N -0.026 118.682 118.700 0.014 0.000 2.430 204 N HA 0.001 4.744 4.740 0.005 0.000 0.235 204 N C 0.193 175.709 175.510 0.011 0.000 1.108 204 N CA 0.460 53.516 53.050 0.011 0.000 0.834 204 N CB 0.367 38.859 38.487 0.009 0.000 1.430 204 N HN 0.156 8.536 8.380 -0.000 0.000 0.463 205 T N 1.194 115.755 114.554 0.012 0.000 2.856 205 T HA 0.038 4.391 4.350 0.005 0.000 0.329 205 T C 0.725 175.431 174.700 0.010 0.000 1.094 205 T CA 0.467 62.573 62.100 0.011 0.000 1.112 205 T CB 0.305 69.180 68.868 0.011 0.000 1.009 205 T HN 0.112 8.352 8.240 -0.000 0.000 0.550 206 N N 1.601 120.307 118.700 0.009 0.000 2.143 206 N HA 0.088 4.831 4.740 0.005 0.000 0.222 206 N C -0.770 174.744 175.510 0.007 0.000 1.264 206 N CA -0.228 52.826 53.050 0.008 0.000 0.897 206 N CB 0.550 39.041 38.487 0.006 0.000 1.092 206 N HN 0.640 9.020 8.380 -0.000 0.000 0.516 207 D N 1.954 122.359 120.400 0.008 0.000 2.396 207 D HA 0.040 4.683 4.640 0.005 0.000 0.225 207 D C 1.394 177.699 176.300 0.008 0.000 1.121 207 D CA -0.239 53.765 54.000 0.007 0.000 0.853 207 D CB 1.949 42.754 40.800 0.008 0.000 1.043 207 D HN -0.224 8.146 8.370 -0.000 0.000 0.500 208 V N 4.746 124.663 119.914 0.006 0.000 2.252 208 V HA -0.329 3.794 4.120 0.005 0.000 0.255 208 V C 2.067 178.166 176.094 0.009 0.000 1.071 208 V CA 2.807 65.110 62.300 0.006 0.000 1.050 208 V CB -0.240 31.583 31.823 0.001 0.000 0.654 208 V HN 0.626 8.816 8.190 -0.000 0.000 0.448 209 E N -0.492 119.713 120.200 0.009 0.000 2.204 209 E HA -0.150 4.203 4.350 0.005 0.000 0.195 209 E C 2.066 178.668 176.600 0.003 0.000 0.990 209 E CA 2.012 58.418 56.400 0.010 0.000 0.821 209 E CB -0.471 29.237 29.700 0.014 0.000 0.750 209 E HN 0.756 9.116 8.360 -0.000 0.000 0.477 210 T N -0.356 114.201 114.554 0.006 0.000 2.809 210 T HA 0.024 4.377 4.350 0.005 0.000 0.260 210 T C 1.808 176.507 174.700 -0.000 0.000 1.039 210 T CA 1.203 63.305 62.100 0.003 0.000 1.141 210 T CB -0.402 68.472 68.868 0.009 0.000 0.869 210 T HN 0.321 8.561 8.240 -0.000 0.000 0.437 211 A N 1.839 124.665 122.820 0.010 0.000 1.933 211 A HA -0.110 4.213 4.320 0.005 0.000 0.218 211 A C 2.280 179.881 177.584 0.028 0.000 1.175 211 A CA 1.737 53.786 52.037 0.020 0.000 0.628 211 A CB -0.559 18.457 19.000 0.027 0.000 0.814 211 A HN 0.430 8.580 8.150 -0.000 0.000 0.444 212 R N -0.791 119.726 120.500 0.027 0.000 2.092 212 R HA -0.121 4.222 4.340 0.005 0.000 0.231 212 R C 1.949 178.201 176.300 -0.079 0.000 1.119 212 R CA 1.876 58.014 56.100 0.065 0.000 0.970 212 R CB -0.604 29.733 30.300 0.063 0.000 0.864 212 R HN 0.513 8.783 8.270 -0.000 0.000 0.440 213 C N 0.375 119.575 119.300 -0.166 0.000 2.450 213 C HA -0.005 4.458 4.460 0.005 0.000 0.279 213 C C 2.819 177.671 174.990 -0.231 0.000 1.335 213 C CA 1.244 60.040 59.018 -0.370 0.000 1.749 213 C CB -0.578 27.081 27.740 -0.134 0.000 1.963 213 C HN 0.732 8.962 8.230 -0.000 0.000 0.501 214 T N -0.070 114.429 114.554 -0.091 0.000 2.809 214 T HA -0.001 4.352 4.350 0.005 0.000 0.260 214 T C 2.033 176.708 174.700 -0.041 0.000 1.039 214 T CA 1.415 63.494 62.100 -0.034 0.000 1.141 214 T CB -0.524 68.344 68.868 -0.001 0.000 0.869 214 T HN 0.432 8.672 8.240 -0.000 0.000 0.437 215 A N 1.878 124.680 122.820 -0.030 0.000 1.933 215 A HA 0.244 4.567 4.320 0.005 0.000 0.218 215 A C 2.700 180.190 177.584 -0.156 0.000 1.175 215 A CA 1.671 53.715 52.037 0.012 0.000 0.628 215 A CB -1.604 17.478 19.000 0.137 0.000 0.814 215 A HN 0.617 8.767 8.150 -0.000 0.000 0.444 216 G N -1.241 107.262 108.800 -0.495 0.000 2.408 216 G HA2 -0.116 3.847 3.960 0.005 0.000 0.217 216 G HA3 -0.116 3.847 3.960 0.005 0.000 0.217 216 G C 1.548 176.294 174.900 -0.256 0.000 1.150 216 G CA 1.597 46.052 45.100 -1.076 0.000 0.776 216 G HN 0.430 8.720 8.290 -0.000 0.000 0.542 217 T N 1.484 116.015 114.554 -0.038 0.000 2.737 217 T HA -0.028 4.325 4.350 0.005 0.000 0.265 217 T C 2.431 177.158 174.700 0.046 0.000 1.038 217 T CA 0.878 63.035 62.100 0.095 0.000 1.144 217 T CB -0.223 68.701 68.868 0.093 0.000 0.866 217 T HN 0.153 8.393 8.240 -0.000 0.000 0.434 218 L N 0.470 121.711 121.223 0.031 0.000 2.042 218 L HA -0.165 4.179 4.340 0.005 0.000 0.210 218 L C 2.672 179.583 176.870 0.068 0.000 1.076 218 L CA 1.596 56.469 54.840 0.054 0.000 0.749 218 L CB -0.831 41.265 42.059 0.062 0.000 0.893 218 L HN 0.485 8.715 8.230 -0.000 0.000 0.432 219 H N 0.826 119.882 119.070 -0.024 0.000 2.319 219 H HA -0.179 4.380 4.556 0.005 0.000 0.299 219 H C 1.905 177.257 175.328 0.040 0.000 1.092 219 H CA 1.949 58.005 56.048 0.014 0.000 1.302 219 H CB 0.153 29.910 29.762 -0.008 0.000 1.373 219 H HN 0.356 8.636 8.280 -0.000 0.000 0.497 220 N N 0.964 119.573 118.700 -0.152 0.000 2.120 220 N HA -0.114 4.629 4.740 0.005 0.000 0.188 220 N C 2.385 177.876 175.510 -0.031 0.000 1.024 220 N CA 0.995 53.954 53.050 -0.151 0.000 0.852 220 N CB -0.362 38.119 38.487 -0.010 0.000 1.003 220 N HN 0.420 8.800 8.380 -0.000 0.000 0.424 221 L N 0.963 122.210 121.223 0.041 0.000 2.141 221 L HA -0.075 4.268 4.340 0.005 0.000 0.209 221 L C 2.172 179.098 176.870 0.094 0.000 1.094 221 L CA 1.000 55.916 54.840 0.127 0.000 0.763 221 L CB -0.658 41.459 42.059 0.097 0.000 0.908 221 L HN 0.194 8.424 8.230 -0.000 0.000 0.437 222 S N -1.685 114.023 115.700 0.014 0.000 2.537 222 S HA -0.230 4.243 4.470 0.005 0.000 0.240 222 S C 1.706 176.272 174.600 -0.056 0.000 0.981 222 S CA 0.909 59.108 58.200 -0.001 0.000 0.948 222 S CB -0.621 62.590 63.200 0.019 0.000 0.759 222 S HN 0.539 8.849 8.310 -0.000 0.000 0.531 223 H N 1.269 120.190 119.070 -0.248 0.000 2.529 223 H HA 0.174 4.733 4.556 0.005 0.000 0.277 223 H C 0.408 175.423 175.328 -0.523 0.000 0.999 223 H CA 0.881 56.684 56.048 -0.408 0.000 1.256 223 H CB 0.068 29.511 29.762 -0.531 0.000 1.402 223 H HN 0.530 8.810 8.280 -0.000 0.000 0.566 224 H N -0.730 118.293 119.070 -0.078 0.000 2.573 224 H HA 0.203 4.762 4.556 0.005 0.000 0.351 224 H C 1.051 176.300 175.328 -0.132 0.000 1.163 224 H CA -0.479 55.491 56.048 -0.130 0.000 1.205 224 H CB 1.712 31.438 29.762 -0.060 0.000 1.605 224 H HN 0.180 8.460 8.280 -0.000 0.000 0.525 225 R N 1.383 121.866 120.500 -0.028 0.000 2.081 225 R HA -0.119 4.224 4.340 0.005 0.000 0.235 225 R C 1.215 177.503 176.300 -0.019 0.000 1.131 225 R CA 1.744 57.811 56.100 -0.055 0.000 0.960 225 R CB 0.116 30.373 30.300 -0.072 0.000 0.856 225 R HN 0.677 8.947 8.270 -0.000 0.000 0.436 226 E N -0.856 119.332 120.200 -0.020 0.000 2.106 226 E HA -0.111 4.242 4.350 0.005 0.000 0.192 226 E C 1.895 178.505 176.600 0.015 0.000 0.984 226 E CA 1.027 57.414 56.400 -0.023 0.000 0.806 226 E CB -0.134 29.519 29.700 -0.078 0.000 0.750 226 E HN 0.630 8.990 8.360 -0.000 0.000 0.458 227 G N 1.289 110.119 108.800 0.050 0.000 2.402 227 G HA2 -0.221 3.742 3.960 0.005 0.000 0.216 227 G HA3 -0.221 3.742 3.960 0.005 0.000 0.216 227 G C 1.589 176.529 174.900 0.067 0.000 1.162 227 G CA 0.344 45.490 45.100 0.076 0.000 0.777 227 G HN 0.074 8.364 8.290 -0.000 0.000 0.539 228 L N -0.420 120.833 121.223 0.050 0.000 2.046 228 L HA -0.052 4.291 4.340 0.005 0.000 0.208 228 L C 2.706 179.629 176.870 0.088 0.000 1.077 228 L CA 0.594 55.465 54.840 0.051 0.000 0.747 228 L CB -0.397 41.666 42.059 0.008 0.000 0.896 228 L HN 0.221 8.451 8.230 -0.000 0.000 0.432 229 L N -0.029 121.237 121.223 0.071 0.000 2.017 229 L HA -0.140 4.203 4.340 0.005 0.000 0.208 229 L C 2.640 179.601 176.870 0.152 0.000 1.073 229 L CA 2.010 56.923 54.840 0.121 0.000 0.745 229 L CB -0.737 41.364 42.059 0.070 0.000 0.894 229 L HN 0.155 8.385 8.230 -0.000 0.000 0.432 230 A N -0.244 122.632 122.820 0.092 0.000 1.883 230 A HA -0.212 4.111 4.320 0.005 0.000 0.217 230 A C 2.274 179.907 177.584 0.082 0.000 1.186 230 A CA 2.206 54.286 52.037 0.072 0.000 0.624 230 A CB -0.929 18.099 19.000 0.048 0.000 0.822 230 A HN 0.510 8.660 8.150 -0.000 0.000 0.444 231 I N -1.943 118.688 120.570 0.101 0.000 2.226 231 I HA -0.239 3.934 4.170 0.005 0.000 0.245 231 I C 2.360 178.555 176.117 0.130 0.000 1.100 231 I CA 1.598 62.958 61.300 0.101 0.000 1.374 231 I CB -0.387 37.678 38.000 0.108 0.000 1.057 231 I HN 0.430 8.640 8.210 -0.000 0.000 0.413 232 F N 2.218 122.178 119.950 0.016 0.000 2.069 232 F HA -0.235 4.295 4.527 0.005 0.000 0.298 232 F C 2.411 178.218 175.800 0.010 0.000 1.113 232 F CA 1.781 59.788 58.000 0.013 0.000 1.214 232 F CB -0.365 38.642 39.000 0.010 0.000 0.978 232 F HN -0.142 8.158 8.300 -0.000 0.000 0.474 233 K N -0.460 119.918 120.400 -0.037 0.000 2.211 233 K HA -0.063 4.260 4.320 0.005 0.000 0.203 233 K C 1.774 178.302 176.600 -0.120 0.000 1.050 233 K CA 1.290 57.495 56.287 -0.136 0.000 0.945 233 K CB -0.306 32.190 32.500 -0.006 0.000 0.732 233 K HN 0.138 8.388 8.250 -0.000 0.000 0.451 234 S N 0.108 115.771 115.700 -0.062 0.000 2.650 234 S HA 0.087 4.560 4.470 0.005 0.000 0.219 234 S C 0.928 175.492 174.600 -0.060 0.000 0.960 234 S CA 0.509 58.682 58.200 -0.044 0.000 0.925 234 S CB 0.395 63.591 63.200 -0.006 0.000 0.775 234 S HN 0.584 8.894 8.310 -0.000 0.000 0.525 235 G N 1.159 109.890 108.800 -0.115 0.000 2.198 235 G HA2 -0.259 3.704 3.960 0.005 0.000 0.260 235 G HA3 -0.259 3.704 3.960 0.005 0.000 0.260 235 G C 0.809 175.683 174.900 -0.043 0.000 1.025 235 G CA 0.204 45.241 45.100 -0.104 0.000 0.769 235 G HN 0.617 8.907 8.290 -0.000 0.000 0.507 236 G N -0.144 108.648 108.800 -0.013 0.000 2.443 236 G HA2 0.022 3.985 3.960 0.005 0.000 0.219 236 G HA3 0.022 3.985 3.960 0.005 0.000 0.219 236 G C 1.760 176.689 174.900 0.048 0.000 1.131 236 G CA 1.145 46.263 45.100 0.030 0.000 0.775 236 G HN 0.606 8.896 8.290 -0.000 0.000 0.547 237 I N 1.274 121.879 120.570 0.058 0.000 2.179 237 I HA -0.115 4.059 4.170 0.005 0.000 0.242 237 I C -0.128 176.019 176.117 0.051 0.000 1.088 237 I CA 1.107 62.454 61.300 0.078 0.000 1.357 237 I CB -0.772 37.301 38.000 0.121 0.000 1.051 237 I HN 0.135 8.345 8.210 -0.000 0.000 0.409 238 P HA -0.145 4.275 4.420 -0.000 0.000 0.217 238 P C 1.421 178.736 177.300 0.026 0.000 1.150 238 P CA 1.652 64.764 63.100 0.021 0.000 0.832 238 P CB 0.006 31.708 31.700 0.003 0.000 0.787 239 A N -0.861 121.974 122.820 0.025 0.000 1.930 239 A HA -0.129 4.194 4.320 0.005 0.000 0.217 239 A C 2.151 179.761 177.584 0.043 0.000 1.175 239 A CA 1.269 53.324 52.037 0.029 0.000 0.627 239 A CB -1.560 17.455 19.000 0.026 0.000 0.815 239 A HN 0.110 8.260 8.150 -0.000 0.000 0.443 240 L N -0.677 120.578 121.223 0.052 0.000 2.056 240 L HA -0.126 4.217 4.340 0.005 0.000 0.207 240 L C 2.470 179.378 176.870 0.064 0.000 1.078 240 L CA 0.828 55.707 54.840 0.066 0.000 0.749 240 L CB -0.464 41.641 42.059 0.076 0.000 0.901 240 L HN 0.225 8.455 8.230 -0.000 0.000 0.433 241 V N 0.212 120.160 119.914 0.056 0.000 2.407 241 V HA -0.310 3.813 4.120 0.005 0.000 0.248 241 V C 2.562 178.686 176.094 0.049 0.000 1.055 241 V CA 1.867 64.198 62.300 0.052 0.000 1.049 241 V CB -0.526 31.323 31.823 0.044 0.000 0.662 241 V HN 0.457 8.647 8.190 -0.000 0.000 0.455 242 K N -0.349 120.076 120.400 0.042 0.000 2.097 242 K HA -0.171 4.152 4.320 0.005 0.000 0.205 242 K C 2.077 178.703 176.600 0.043 0.000 1.050 242 K CA 1.381 57.691 56.287 0.037 0.000 0.938 242 K CB -0.113 32.405 32.500 0.030 0.000 0.718 242 K HN 0.234 8.484 8.250 -0.000 0.000 0.442 243 M N 1.086 120.717 119.600 0.051 0.000 2.539 243 M HA -0.084 4.399 4.480 0.005 0.000 0.261 243 M C 1.662 178.001 176.300 0.066 0.000 1.069 243 M CA 1.042 56.376 55.300 0.057 0.000 1.081 243 M CB -0.615 32.026 32.600 0.069 0.000 1.412 243 M HN 0.204 8.494 8.290 -0.000 0.000 0.482 244 L N -0.875 120.392 121.223 0.073 0.000 2.549 244 L HA -0.048 4.296 4.340 0.005 0.000 0.229 244 L C 1.938 178.851 176.870 0.071 0.000 1.158 244 L CA 0.481 55.377 54.840 0.092 0.000 0.842 244 L CB -0.830 41.287 42.059 0.096 0.000 0.952 244 L HN 0.356 8.586 8.230 -0.000 0.000 0.452 245 G N -1.314 107.515 108.800 0.049 0.000 3.233 245 G HA2 -0.036 3.927 3.960 0.005 0.000 0.234 245 G HA3 -0.036 3.927 3.960 0.005 0.000 0.234 245 G C 0.539 175.451 174.900 0.019 0.000 1.137 245 G CA -0.082 45.038 45.100 0.033 0.000 0.763 245 G HN 0.188 8.478 8.290 -0.000 0.000 0.549 246 S N 0.696 116.407 115.700 0.019 0.000 2.528 246 S HA 0.344 4.817 4.470 0.005 0.000 0.277 246 S C -1.056 173.533 174.600 -0.019 0.000 1.297 246 S CA -1.059 57.145 58.200 0.005 0.000 1.052 246 S CB 1.643 64.852 63.200 0.015 0.000 0.917 246 S HN -0.021 8.289 8.310 -0.000 0.000 0.492 247 P HA 0.033 4.453 4.420 -0.000 0.000 0.225 247 P C -0.382 176.882 177.300 -0.059 0.000 1.156 247 P CA 0.335 63.410 63.100 -0.041 0.000 0.787 247 P CB 0.043 31.726 31.700 -0.028 0.000 0.802 248 V N 1.987 121.873 119.914 -0.047 0.000 2.446 248 V HA -0.030 4.093 4.120 0.005 0.000 0.276 248 V C 1.348 177.390 176.094 -0.086 0.000 1.030 248 V CA 0.488 62.755 62.300 -0.056 0.000 1.033 248 V CB 0.247 32.052 31.823 -0.030 0.000 0.993 248 V HN 0.068 8.258 8.190 -0.000 0.000 0.477 249 D N 3.185 123.510 120.400 -0.125 0.000 2.144 249 D HA -0.153 4.490 4.640 0.005 0.000 0.199 249 D C 2.272 178.485 176.300 -0.145 0.000 0.984 249 D CA 1.801 55.694 54.000 -0.178 0.000 0.834 249 D CB 0.001 40.677 40.800 -0.206 0.000 0.955 249 D HN 0.754 9.124 8.370 -0.000 0.000 0.465 250 S N 0.435 116.049 115.700 -0.144 0.000 2.370 250 S HA -0.150 4.323 4.470 0.005 0.000 0.226 250 S C 2.306 176.816 174.600 -0.150 0.000 1.033 250 S CA 1.256 59.333 58.200 -0.205 0.000 1.011 250 S CB -0.819 62.294 63.200 -0.145 0.000 0.852 250 S HN 0.110 8.420 8.310 -0.000 0.000 0.457 251 V N 2.262 122.169 119.914 -0.013 0.000 2.307 251 V HA -0.096 4.027 4.120 0.005 0.000 0.245 251 V C 2.626 178.779 176.094 0.098 0.000 1.045 251 V CA 1.761 64.114 62.300 0.088 0.000 1.024 251 V CB -0.948 30.911 31.823 0.061 0.000 0.651 251 V HN 0.432 8.622 8.190 -0.000 0.000 0.449 252 L N -1.257 119.994 121.223 0.047 0.000 2.042 252 L HA -0.228 4.115 4.340 0.005 0.000 0.210 252 L C 2.401 179.407 176.870 0.225 0.000 1.076 252 L CA 1.985 56.884 54.840 0.098 0.000 0.749 252 L CB -0.543 41.476 42.059 -0.066 0.000 0.893 252 L HN 0.348 8.578 8.230 -0.000 0.000 0.432 253 F N -0.467 119.481 119.950 -0.003 0.000 2.134 253 F HA -0.265 4.265 4.527 0.005 0.000 0.299 253 F C 2.330 178.142 175.800 0.020 0.000 1.097 253 F CA 1.461 59.479 58.000 0.030 0.000 1.264 253 F CB -0.469 38.429 39.000 -0.171 0.000 1.001 253 F HN -0.024 8.276 8.300 -0.000 0.000 0.479 254 Y N -0.514 119.809 120.300 0.039 0.000 2.181 254 Y HA -0.229 4.324 4.550 0.005 0.000 0.288 254 Y C 2.621 178.506 175.900 -0.026 0.000 1.146 254 Y CA 0.634 58.689 58.100 -0.075 0.000 1.164 254 Y CB -0.717 37.753 38.460 0.016 0.000 0.982 254 Y HN 0.147 8.427 8.280 -0.000 0.000 0.515 255 A N 0.152 123.088 122.820 0.194 0.000 1.858 255 A HA -0.237 4.086 4.320 0.005 0.000 0.216 255 A C 2.103 179.741 177.584 0.091 0.000 1.190 255 A CA 1.888 54.008 52.037 0.139 0.000 0.617 255 A CB -0.976 18.103 19.000 0.132 0.000 0.827 255 A HN 0.461 8.611 8.150 -0.000 0.000 0.443 256 I N -0.347 120.260 120.570 0.062 0.000 2.394 256 I HA -0.142 4.031 4.170 0.005 0.000 0.251 256 I C 2.295 178.374 176.117 -0.063 0.000 1.136 256 I CA 2.108 63.398 61.300 -0.015 0.000 1.425 256 I CB -0.330 37.613 38.000 -0.095 0.000 1.079 256 I HN 0.295 8.505 8.210 -0.000 0.000 0.425 257 T N -0.377 114.092 114.554 -0.140 0.000 2.857 257 T HA -0.118 4.236 4.350 0.005 0.000 0.266 257 T C 1.767 176.555 174.700 0.145 0.000 1.048 257 T CA 1.908 63.960 62.100 -0.079 0.000 1.139 257 T CB -0.383 68.330 68.868 -0.260 0.000 0.874 257 T HN 0.377 8.617 8.240 -0.000 0.000 0.455 258 T N 2.502 117.155 114.554 0.166 0.000 2.777 258 T HA 0.077 4.430 4.350 0.005 0.000 0.266 258 T C 1.983 176.756 174.700 0.122 0.000 1.040 258 T CA 0.794 62.998 62.100 0.172 0.000 1.141 258 T CB -0.410 68.556 68.868 0.163 0.000 0.868 258 T HN 0.237 8.477 8.240 -0.000 0.000 0.444 259 L N 0.133 121.419 121.223 0.104 0.000 2.083 259 L HA -0.130 4.213 4.340 0.005 0.000 0.209 259 L C 2.661 179.581 176.870 0.083 0.000 1.083 259 L CA 1.388 56.278 54.840 0.084 0.000 0.752 259 L CB -0.634 41.466 42.059 0.069 0.000 0.899 259 L HN 0.455 8.685 8.230 -0.000 0.000 0.433 260 H N 0.380 119.443 119.070 -0.012 0.000 2.353 260 H HA -0.151 4.408 4.556 0.005 0.000 0.300 260 H C 1.877 177.201 175.328 -0.007 0.000 1.090 260 H CA 1.631 57.660 56.048 -0.032 0.000 1.327 260 H CB 0.346 30.078 29.762 -0.050 0.000 1.383 260 H HN 0.358 8.638 8.280 -0.000 0.000 0.508 261 N N 0.707 119.426 118.700 0.031 0.000 2.188 261 N HA -0.100 4.643 4.740 0.005 0.000 0.184 261 N C 2.314 177.842 175.510 0.030 0.000 1.018 261 N CA 0.557 53.631 53.050 0.040 0.000 0.858 261 N CB -0.270 38.284 38.487 0.111 0.000 0.989 261 N HN 0.373 8.753 8.380 -0.000 0.000 0.426 262 L N 0.535 121.767 121.223 0.014 0.000 2.027 262 L HA -0.070 4.274 4.340 0.005 0.000 0.206 262 L C 2.204 179.027 176.870 -0.078 0.000 1.074 262 L CA 0.764 55.600 54.840 -0.007 0.000 0.745 262 L CB -0.426 41.654 42.059 0.034 0.000 0.898 262 L HN 0.095 8.325 8.230 -0.000 0.000 0.433 263 L N -0.616 120.551 121.223 -0.095 0.000 2.083 263 L HA -0.242 4.101 4.340 0.005 0.000 0.209 263 L C 2.449 179.185 176.870 -0.224 0.000 1.083 263 L CA 1.204 55.966 54.840 -0.130 0.000 0.752 263 L CB -0.397 41.604 42.059 -0.097 0.000 0.899 263 L HN 0.284 8.514 8.230 -0.000 0.000 0.433 264 L N -1.531 119.477 121.223 -0.357 0.000 2.109 264 L HA -0.168 4.175 4.340 0.005 0.000 0.207 264 L C 1.996 178.476 176.870 -0.651 0.000 1.086 264 L CA 1.242 55.739 54.840 -0.572 0.000 0.760 264 L CB -0.312 41.244 42.059 -0.838 0.000 0.910 264 L HN 0.354 8.584 8.230 -0.000 0.000 0.437 265 H N -3.587 115.395 119.070 -0.147 0.000 3.091 265 H HA 0.124 4.683 4.556 0.005 0.000 0.249 265 H C 0.502 175.744 175.328 -0.143 0.000 0.985 265 H CA -0.365 55.605 56.048 -0.130 0.000 1.177 265 H CB 0.504 30.194 29.762 -0.120 0.000 1.456 265 H HN 0.008 8.288 8.280 -0.000 0.000 0.467 266 Q N 2.513 122.271 119.800 -0.070 0.000 2.337 266 Q HA 0.065 4.408 4.340 0.005 0.000 0.255 266 Q C -0.451 175.375 176.000 -0.290 0.000 0.997 266 Q CA -0.299 55.388 55.803 -0.193 0.000 0.925 266 Q CB 0.571 29.162 28.738 -0.246 0.000 1.212 266 Q HN 0.346 8.616 8.270 -0.000 0.000 0.436 267 E N 2.963 123.002 120.200 -0.268 0.000 2.480 267 E HA 0.196 4.549 4.350 0.005 0.000 0.258 267 E C 0.422 176.783 176.600 -0.397 0.000 0.984 267 E CA 1.044 57.299 56.400 -0.242 0.000 0.930 267 E CB -0.068 29.538 29.700 -0.157 0.000 0.936 267 E HN 0.921 9.281 8.360 -0.000 0.000 0.466 268 G N 2.992 111.642 108.800 -0.250 0.000 2.213 268 G HA2 -0.379 3.584 3.960 0.005 0.000 0.236 268 G HA3 -0.379 3.584 3.960 0.005 0.000 0.236 268 G C 0.986 175.820 174.900 -0.110 0.000 0.991 268 G CA 0.396 45.396 45.100 -0.167 0.000 0.629 268 G HN 0.816 9.106 8.290 -0.000 0.000 0.517 269 A N 0.537 123.212 122.820 -0.242 0.000 1.902 269 A HA 0.067 4.390 4.320 0.005 0.000 0.217 269 A C 2.183 179.779 177.584 0.020 0.000 1.181 269 A CA 2.313 54.313 52.037 -0.061 0.000 0.623 269 A CB -0.455 18.479 19.000 -0.110 0.000 0.818 269 A HN 0.542 8.692 8.150 -0.000 0.000 0.443 270 K N -1.102 119.288 120.400 -0.016 0.000 2.032 270 K HA -0.157 4.166 4.320 0.005 0.000 0.209 270 K C 2.195 178.813 176.600 0.029 0.000 1.048 270 K CA 1.719 58.008 56.287 0.003 0.000 0.927 270 K CB -0.316 32.176 32.500 -0.012 0.000 0.712 270 K HN 0.618 8.868 8.250 -0.000 0.000 0.441 271 M N 0.755 120.379 119.600 0.039 0.000 2.117 271 M HA -0.170 4.313 4.480 0.005 0.000 0.262 271 M C 2.204 178.546 176.300 0.070 0.000 1.065 271 M CA 1.751 57.081 55.300 0.050 0.000 1.114 271 M CB -0.132 32.502 32.600 0.057 0.000 1.361 271 M HN 0.188 8.478 8.290 -0.000 0.000 0.408 272 A N -0.389 122.501 122.820 0.117 0.000 1.908 272 A HA -0.127 4.196 4.320 0.005 0.000 0.218 272 A C 2.027 179.662 177.584 0.084 0.000 1.181 272 A CA 1.961 54.073 52.037 0.126 0.000 0.627 272 A CB -1.113 18.032 19.000 0.243 0.000 0.818 272 A HN 0.437 8.587 8.150 -0.000 0.000 0.445 273 V N -0.105 119.856 119.914 0.078 0.000 2.358 273 V HA -0.240 3.883 4.120 0.005 0.000 0.246 273 V C 2.626 178.744 176.094 0.039 0.000 1.047 273 V CA 2.116 64.449 62.300 0.055 0.000 1.035 273 V CB -0.804 31.047 31.823 0.046 0.000 0.658 273 V HN 0.530 8.720 8.190 -0.000 0.000 0.452 274 R N -0.150 120.370 120.500 0.034 0.000 2.070 274 R HA -0.106 4.237 4.340 0.005 0.000 0.233 274 R C 2.311 178.625 176.300 0.024 0.000 1.137 274 R CA 1.486 57.601 56.100 0.025 0.000 0.945 274 R CB -0.538 29.774 30.300 0.020 0.000 0.845 274 R HN 0.388 8.658 8.270 -0.000 0.000 0.430 275 L N 0.313 121.553 121.223 0.028 0.000 2.127 275 L HA -0.138 4.205 4.340 0.005 0.000 0.211 275 L C 2.355 179.237 176.870 0.021 0.000 1.089 275 L CA 1.061 55.915 54.840 0.023 0.000 0.757 275 L CB -0.432 41.642 42.059 0.025 0.000 0.899 275 L HN 0.269 8.499 8.230 -0.000 0.000 0.434 276 A N -0.475 122.361 122.820 0.027 0.000 2.238 276 A HA 0.270 4.593 4.320 0.005 0.000 0.208 276 A C 1.661 179.259 177.584 0.024 0.000 1.177 276 A CA 0.701 52.753 52.037 0.025 0.000 0.804 276 A CB -0.466 18.552 19.000 0.031 0.000 0.823 276 A HN 0.524 8.674 8.150 -0.000 0.000 0.482 277 G N -1.865 106.949 108.800 0.023 0.000 2.160 277 G HA2 -0.151 3.812 3.960 0.005 0.000 0.244 277 G HA3 -0.151 3.812 3.960 0.005 0.000 0.244 277 G C 1.116 176.031 174.900 0.025 0.000 1.022 277 G CA 0.524 45.636 45.100 0.022 0.000 0.741 277 G HN 1.203 9.493 8.290 -0.000 0.000 0.508 278 G N -0.029 108.787 108.800 0.028 0.000 2.432 278 G HA2 0.017 3.980 3.960 0.005 0.000 0.219 278 G HA3 0.017 3.980 3.960 0.005 0.000 0.219 278 G C 1.821 176.735 174.900 0.024 0.000 1.135 278 G CA 1.233 46.351 45.100 0.029 0.000 0.767 278 G HN 0.612 8.902 8.290 -0.000 0.000 0.550 279 L N -0.280 120.954 121.223 0.019 0.000 1.989 279 L HA -0.164 4.179 4.340 0.005 0.000 0.211 279 L C 3.193 180.073 176.870 0.017 0.000 1.071 279 L CA 1.452 56.300 54.840 0.014 0.000 0.749 279 L CB -0.451 41.614 42.059 0.011 0.000 0.890 279 L HN 0.185 8.415 8.230 -0.000 0.000 0.431 280 Q N -0.258 119.554 119.800 0.019 0.000 2.124 280 Q HA -0.177 4.166 4.340 0.005 0.000 0.202 280 Q C 2.218 178.235 176.000 0.029 0.000 0.977 280 Q CA 1.265 57.081 55.803 0.022 0.000 0.850 280 Q CB -0.101 28.649 28.738 0.020 0.000 0.901 280 Q HN 0.234 8.504 8.270 -0.000 0.000 0.429 281 K N 0.063 120.482 120.400 0.033 0.000 2.025 281 K HA -0.036 4.287 4.320 0.005 0.000 0.207 281 K C 2.039 178.671 176.600 0.053 0.000 1.049 281 K CA 1.300 57.614 56.287 0.044 0.000 0.933 281 K CB -0.271 32.258 32.500 0.047 0.000 0.714 281 K HN 0.343 8.593 8.250 -0.000 0.000 0.438 282 M N 0.470 120.092 119.600 0.037 0.000 2.117 282 M HA -0.147 4.336 4.480 0.005 0.000 0.262 282 M C 2.287 178.603 176.300 0.027 0.000 1.065 282 M CA 1.213 56.528 55.300 0.024 0.000 1.114 282 M CB -0.364 32.232 32.600 -0.007 0.000 1.361 282 M HN -0.166 8.124 8.290 -0.000 0.000 0.408 283 V N 0.458 120.387 119.914 0.025 0.000 2.343 283 V HA -0.251 3.872 4.120 0.005 0.000 0.247 283 V C 2.582 178.704 176.094 0.046 0.000 1.051 283 V CA 1.987 64.304 62.300 0.028 0.000 1.036 283 V CB -1.155 30.681 31.823 0.022 0.000 0.654 283 V HN 0.535 8.725 8.190 -0.000 0.000 0.451 284 A N -0.557 122.293 122.820 0.051 0.000 2.067 284 A HA -0.067 4.256 4.320 0.005 0.000 0.219 284 A C 2.066 179.700 177.584 0.082 0.000 1.158 284 A CA 1.316 53.388 52.037 0.058 0.000 0.661 284 A CB -0.437 18.592 19.000 0.050 0.000 0.801 284 A HN 0.550 8.700 8.150 -0.000 0.000 0.452 285 L N -0.508 120.783 121.223 0.113 0.000 2.554 285 L HA 0.086 4.429 4.340 0.005 0.000 0.226 285 L C 1.542 178.538 176.870 0.210 0.000 1.137 285 L CA -0.015 54.941 54.840 0.193 0.000 0.863 285 L CB -0.209 42.042 42.059 0.320 0.000 0.985 285 L HN 0.337 8.567 8.230 -0.000 0.000 0.451 286 L N 0.478 121.777 121.223 0.128 0.000 2.633 286 L HA -0.133 4.210 4.340 0.005 0.000 0.235 286 L C 1.713 178.662 176.870 0.132 0.000 1.163 286 L CA 0.987 55.894 54.840 0.112 0.000 0.859 286 L CB -0.676 41.426 42.059 0.072 0.000 0.973 286 L HN 0.599 8.829 8.230 -0.000 0.000 0.451 287 N N -1.676 117.099 118.700 0.124 0.000 2.336 287 N HA -0.005 4.738 4.740 0.005 0.000 0.189 287 N C 0.569 176.151 175.510 0.120 0.000 1.113 287 N CA -0.384 52.737 53.050 0.118 0.000 0.858 287 N CB 0.375 38.911 38.487 0.082 0.000 0.970 287 N HN 0.035 8.415 8.380 -0.000 0.000 0.471 288 K N 1.111 121.587 120.400 0.127 0.000 2.149 288 K HA 0.058 4.381 4.320 0.005 0.000 0.245 288 K C 1.248 177.908 176.600 0.101 0.000 1.024 288 K CA 0.256 56.591 56.287 0.080 0.000 0.899 288 K CB 1.024 33.548 32.500 0.040 0.000 1.038 288 K HN 0.226 8.476 8.250 -0.000 0.000 0.496 289 T N -3.312 111.276 114.554 0.055 0.000 3.010 289 T HA 0.028 4.381 4.350 0.005 0.000 0.257 289 T C 0.583 175.254 174.700 -0.048 0.000 1.020 289 T CA -0.320 61.824 62.100 0.073 0.000 0.938 289 T CB 0.025 68.975 68.868 0.136 0.000 1.049 289 T HN 0.361 8.601 8.240 -0.000 0.000 0.522 290 N N 2.851 121.525 118.700 -0.043 0.000 2.416 290 N HA 0.044 4.787 4.740 0.005 0.000 0.265 290 N C 1.609 177.083 175.510 -0.060 0.000 1.195 290 N CA 0.206 53.223 53.050 -0.056 0.000 0.943 290 N CB 1.681 40.144 38.487 -0.039 0.000 1.115 290 N HN 0.272 8.652 8.380 -0.000 0.000 0.481 291 V N 2.704 122.508 119.914 -0.182 0.000 2.626 291 V HA -0.122 4.001 4.120 0.005 0.000 0.252 291 V C 1.921 177.988 176.094 -0.044 0.000 1.067 291 V CA 1.271 63.449 62.300 -0.203 0.000 1.081 291 V CB -0.438 31.238 31.823 -0.244 0.000 0.686 291 V HN 0.506 8.696 8.190 -0.000 0.000 0.468 292 K N -0.327 120.035 120.400 -0.063 0.000 2.167 292 K HA 0.048 4.371 4.320 0.005 0.000 0.203 292 K C 1.953 178.676 176.600 0.205 0.000 1.052 292 K CA 1.511 57.852 56.287 0.091 0.000 0.956 292 K CB -0.295 32.226 32.500 0.036 0.000 0.735 292 K HN 0.551 8.801 8.250 -0.000 0.000 0.451 293 F N 1.857 121.860 119.950 0.089 0.000 2.146 293 F HA -0.119 4.411 4.527 0.004 0.000 0.298 293 F C 1.664 177.477 175.800 0.021 0.000 1.096 293 F CA 1.222 59.302 58.000 0.134 0.000 1.275 293 F CB -0.151 38.910 39.000 0.101 0.000 1.008 293 F HN -0.135 8.165 8.300 -0.000 0.000 0.480 294 L N 0.045 121.250 121.223 -0.031 0.000 2.083 294 L HA -0.178 4.165 4.340 0.005 0.000 0.209 294 L C 2.819 179.587 176.870 -0.170 0.000 1.083 294 L CA 1.072 55.822 54.840 -0.150 0.000 0.752 294 L CB -1.239 40.763 42.059 -0.094 0.000 0.899 294 L HN 0.279 8.509 8.230 -0.000 0.000 0.433 295 A N 0.434 123.214 122.820 -0.068 0.000 1.902 295 A HA -0.185 4.138 4.320 0.005 0.000 0.217 295 A C 2.202 179.684 177.584 -0.169 0.000 1.181 295 A CA 1.567 53.578 52.037 -0.042 0.000 0.623 295 A CB -0.597 18.472 19.000 0.116 0.000 0.818 295 A HN 0.356 8.506 8.150 -0.000 0.000 0.443 296 I N -0.694 119.723 120.570 -0.256 0.000 2.252 296 I HA -0.194 3.979 4.170 0.005 0.000 0.245 296 I C 2.578 178.429 176.117 -0.442 0.000 1.102 296 I CA 1.664 62.688 61.300 -0.459 0.000 1.385 296 I CB -0.677 37.039 38.000 -0.473 0.000 1.064 296 I HN 0.248 8.458 8.210 -0.000 0.000 0.414 297 T N 0.235 114.500 114.554 -0.481 0.000 2.708 297 T HA -0.183 4.170 4.350 0.005 0.000 0.266 297 T C 1.967 176.531 174.700 -0.227 0.000 1.037 297 T CA 2.220 64.079 62.100 -0.402 0.000 1.146 297 T CB -0.575 67.965 68.868 -0.547 0.000 0.865 297 T HN 0.548 8.788 8.240 -0.000 0.000 0.435 298 T N 0.317 114.750 114.554 -0.201 0.000 2.833 298 T HA -0.131 4.222 4.350 0.005 0.000 0.269 298 T C 1.701 176.321 174.700 -0.134 0.000 1.054 298 T CA 1.536 63.554 62.100 -0.137 0.000 1.135 298 T CB -0.475 68.322 68.868 -0.118 0.000 0.869 298 T HN 0.254 8.494 8.240 -0.000 0.000 0.466 299 D N 0.271 120.577 120.400 -0.156 0.000 2.178 299 D HA -0.026 4.617 4.640 0.005 0.000 0.202 299 D C 2.058 178.352 176.300 -0.011 0.000 0.974 299 D CA 0.578 54.517 54.000 -0.102 0.000 0.841 299 D CB -0.590 40.173 40.800 -0.062 0.000 0.953 299 D HN 0.472 8.842 8.370 -0.000 0.000 0.478 300 C N -0.149 119.151 119.300 0.000 0.000 2.429 300 C HA -0.046 4.417 4.460 0.005 0.000 0.277 300 C C 2.786 177.771 174.990 -0.008 0.000 1.262 300 C CA 0.279 59.324 59.018 0.044 0.000 1.733 300 C CB -1.120 26.628 27.740 0.013 0.000 2.010 300 C HN 0.425 8.655 8.230 -0.000 0.000 0.483 301 L N 0.450 121.651 121.223 -0.036 0.000 2.083 301 L HA -0.192 4.151 4.340 0.005 0.000 0.209 301 L C 2.912 179.767 176.870 -0.025 0.000 1.083 301 L CA 1.311 56.133 54.840 -0.030 0.000 0.752 301 L CB -0.775 41.260 42.059 -0.039 0.000 0.899 301 L HN 0.429 8.659 8.230 -0.000 0.000 0.433 302 Q N 0.901 120.673 119.800 -0.046 0.000 2.050 302 Q HA -0.197 4.146 4.340 0.005 0.000 0.202 302 Q C 2.237 178.230 176.000 -0.012 0.000 0.980 302 Q CA 1.828 57.603 55.803 -0.047 0.000 0.840 302 Q CB -0.161 28.506 28.738 -0.118 0.000 0.898 302 Q HN 0.545 8.815 8.270 -0.000 0.000 0.424 303 I N 0.607 121.158 120.570 -0.032 0.000 2.226 303 I HA -0.300 3.873 4.170 0.005 0.000 0.245 303 I C 2.356 178.482 176.117 0.015 0.000 1.100 303 I CA 0.838 62.121 61.300 -0.029 0.000 1.374 303 I CB -0.235 37.727 38.000 -0.063 0.000 1.057 303 I HN 0.152 8.362 8.210 -0.000 0.000 0.413 304 L N 0.194 121.422 121.223 0.009 0.000 2.156 304 L HA -0.092 4.251 4.340 0.005 0.000 0.208 304 L C 2.654 179.537 176.870 0.022 0.000 1.095 304 L CA 1.014 55.862 54.840 0.013 0.000 0.770 304 L CB -0.470 41.592 42.059 0.005 0.000 0.914 304 L HN 0.216 8.446 8.230 -0.000 0.000 0.439 305 A N -1.302 121.536 122.820 0.030 0.000 1.984 305 A HA -0.123 4.200 4.320 0.005 0.000 0.214 305 A C 0.820 178.426 177.584 0.035 0.000 1.173 305 A CA -0.066 51.984 52.037 0.022 0.000 0.673 305 A CB -0.422 18.586 19.000 0.013 0.000 0.830 305 A HN 0.280 8.430 8.150 -0.000 0.000 0.453 306 Y N 1.603 121.871 120.300 -0.052 0.000 2.802 306 Y HA 0.263 4.815 4.550 0.005 0.000 0.333 306 Y C 1.423 177.294 175.900 -0.049 0.000 1.244 306 Y CA 0.675 58.742 58.100 -0.056 0.000 1.558 306 Y CB -0.210 38.212 38.460 -0.063 0.000 1.233 306 Y HN 0.538 8.818 8.280 -0.000 0.000 0.547 307 G N 4.701 113.150 108.800 -0.585 0.000 2.258 307 G HA2 -0.349 3.614 3.960 0.005 0.000 0.274 307 G HA3 -0.349 3.614 3.960 0.005 0.000 0.274 307 G C -0.024 174.765 174.900 -0.184 0.000 1.021 307 G CA 0.435 45.281 45.100 -0.422 0.000 0.798 307 G HN 0.827 9.117 8.290 -0.000 0.000 0.507 308 N N -0.308 118.317 118.700 -0.125 0.000 2.648 308 N HA 0.271 5.014 4.740 0.005 0.000 0.261 308 N C 1.109 176.585 175.510 -0.058 0.000 1.138 308 N CA -0.322 52.686 53.050 -0.069 0.000 0.804 308 N CB 1.200 39.666 38.487 -0.035 0.000 1.237 308 N HN 0.142 8.522 8.380 -0.000 0.000 0.532 309 Q N 1.831 121.595 119.800 -0.060 0.000 2.135 309 Q HA -0.163 4.180 4.340 0.005 0.000 0.204 309 Q C 1.511 177.492 176.000 -0.031 0.000 0.981 309 Q CA 1.874 57.648 55.803 -0.048 0.000 0.856 309 Q CB 0.038 28.748 28.738 -0.047 0.000 0.902 309 Q HN 0.742 9.012 8.270 -0.000 0.000 0.425 310 E N -1.026 119.158 120.200 -0.026 0.000 2.085 310 E HA -0.178 4.175 4.350 0.005 0.000 0.194 310 E C 1.743 178.335 176.600 -0.013 0.000 0.994 310 E CA 1.444 57.834 56.400 -0.017 0.000 0.801 310 E CB -0.115 29.577 29.700 -0.013 0.000 0.743 310 E HN 0.381 8.741 8.360 -0.000 0.000 0.453 311 S N 0.419 116.111 115.700 -0.013 0.000 2.383 311 S HA -0.096 4.377 4.470 0.005 0.000 0.227 311 S C 1.711 176.305 174.600 -0.009 0.000 1.026 311 S CA 1.004 59.199 58.200 -0.008 0.000 0.981 311 S CB -0.067 63.130 63.200 -0.006 0.000 0.818 311 S HN 0.249 8.559 8.310 -0.000 0.000 0.472 312 K N 1.055 121.446 120.400 -0.016 0.000 2.097 312 K HA 0.028 4.351 4.320 0.005 0.000 0.206 312 K C 1.912 178.506 176.600 -0.011 0.000 1.049 312 K CA 0.929 57.207 56.287 -0.015 0.000 0.933 312 K CB -0.332 32.153 32.500 -0.025 0.000 0.717 312 K HN 0.314 8.564 8.250 -0.000 0.000 0.442 313 L N 0.736 121.952 121.223 -0.011 0.000 2.093 313 L HA -0.123 4.220 4.340 0.005 0.000 0.208 313 L C 2.318 179.186 176.870 -0.003 0.000 1.085 313 L CA 0.922 55.757 54.840 -0.008 0.000 0.755 313 L CB -0.347 41.706 42.059 -0.009 0.000 0.904 313 L HN 0.163 8.393 8.230 -0.000 0.000 0.435 314 I N -0.156 120.413 120.570 -0.002 0.000 2.315 314 I HA -0.287 3.886 4.170 0.005 0.000 0.248 314 I C 2.409 178.529 176.117 0.004 0.000 1.117 314 I CA 1.353 62.654 61.300 0.002 0.000 1.404 314 I CB -0.108 37.894 38.000 0.003 0.000 1.071 314 I HN 0.181 8.391 8.210 -0.000 0.000 0.419 315 I N 0.221 120.792 120.570 0.002 0.000 2.226 315 I HA -0.301 3.872 4.170 0.005 0.000 0.245 315 I C 2.517 178.637 176.117 0.005 0.000 1.100 315 I CA 1.140 62.442 61.300 0.003 0.000 1.374 315 I CB -0.239 37.761 38.000 0.000 0.000 1.057 315 I HN 0.247 8.457 8.210 -0.000 0.000 0.413 316 L N 1.384 122.609 121.223 0.003 0.000 2.017 316 L HA -0.143 4.200 4.340 0.005 0.000 0.208 316 L C 2.523 179.397 176.870 0.006 0.000 1.073 316 L CA 2.238 57.081 54.840 0.004 0.000 0.745 316 L CB -0.878 41.181 42.059 0.001 0.000 0.894 316 L HN 0.174 8.404 8.230 -0.000 0.000 0.432 317 A N -1.612 121.211 122.820 0.005 0.000 2.070 317 A HA -0.131 4.192 4.320 0.005 0.000 0.220 317 A C 2.218 179.808 177.584 0.009 0.000 1.159 317 A CA 1.738 53.779 52.037 0.006 0.000 0.656 317 A CB -0.719 18.285 19.000 0.005 0.000 0.800 317 A HN 0.554 8.704 8.150 -0.000 0.000 0.453 318 S N -1.562 114.144 115.700 0.011 0.000 2.593 318 S HA 0.366 4.839 4.470 0.005 0.000 0.217 318 S C 1.275 175.885 174.600 0.017 0.000 0.966 318 S CA 0.654 58.863 58.200 0.014 0.000 0.914 318 S CB 0.071 63.281 63.200 0.015 0.000 0.776 318 S HN 1.604 9.914 8.310 -0.000 0.000 0.523 319 G N 1.140 109.949 108.800 0.015 0.000 2.149 319 G HA2 -0.225 3.738 3.960 0.005 0.000 0.235 319 G HA3 -0.225 3.738 3.960 0.005 0.000 0.235 319 G C 0.820 175.732 174.900 0.020 0.000 1.018 319 G CA 0.205 45.316 45.100 0.017 0.000 0.728 319 G HN 0.583 8.873 8.290 -0.000 0.000 0.508 320 G N 0.701 109.511 108.800 0.017 0.000 2.446 320 G HA2 -0.006 3.957 3.960 0.005 0.000 0.217 320 G HA3 -0.006 3.957 3.960 0.005 0.000 0.217 320 G C 0.159 175.070 174.900 0.019 0.000 1.168 320 G CA 1.752 46.862 45.100 0.017 0.000 0.771 320 G HN 0.535 8.825 8.290 -0.000 0.000 0.551 321 P HA -0.169 4.251 4.420 -0.000 0.000 0.215 321 P C 1.846 179.161 177.300 0.024 0.000 1.163 321 P CA 1.778 64.888 63.100 0.018 0.000 0.894 321 P CB 0.014 31.723 31.700 0.015 0.000 0.791 322 Q N -0.547 119.267 119.800 0.024 0.000 2.119 322 Q HA -0.076 4.267 4.340 0.005 0.000 0.201 322 Q C 2.035 178.057 176.000 0.038 0.000 0.972 322 Q CA 1.874 57.694 55.803 0.028 0.000 0.847 322 Q CB -1.244 27.508 28.738 0.024 0.000 0.903 322 Q HN 0.099 8.369 8.270 -0.000 0.000 0.433 323 A N -0.074 122.770 122.820 0.040 0.000 1.898 323 A HA -0.114 4.209 4.320 0.005 0.000 0.216 323 A C 2.052 179.674 177.584 0.063 0.000 1.181 323 A CA 1.331 53.401 52.037 0.054 0.000 0.620 323 A CB -0.696 18.334 19.000 0.050 0.000 0.819 323 A HN 0.434 8.584 8.150 -0.000 0.000 0.442 324 L N -0.698 120.553 121.223 0.047 0.000 2.056 324 L HA -0.129 4.214 4.340 0.005 0.000 0.207 324 L C 2.492 179.398 176.870 0.060 0.000 1.078 324 L CA 0.876 55.744 54.840 0.047 0.000 0.749 324 L CB -0.531 41.542 42.059 0.025 0.000 0.901 324 L HN 0.227 8.457 8.230 -0.000 0.000 0.433 325 V N 0.167 120.113 119.914 0.053 0.000 2.343 325 V HA -0.249 3.874 4.120 0.005 0.000 0.247 325 V C 2.208 178.342 176.094 0.067 0.000 1.051 325 V CA 1.688 64.022 62.300 0.057 0.000 1.036 325 V CB -0.658 31.191 31.823 0.042 0.000 0.654 325 V HN 0.476 8.666 8.190 -0.000 0.000 0.451 326 N N 0.233 118.971 118.700 0.063 0.000 2.149 326 N HA -0.104 4.639 4.740 0.005 0.000 0.188 326 N C 1.721 177.283 175.510 0.086 0.000 1.019 326 N CA 1.489 54.574 53.050 0.058 0.000 0.857 326 N CB -0.368 38.154 38.487 0.058 0.000 0.997 326 N HN 0.432 8.812 8.380 -0.000 0.000 0.426 327 I N 0.531 121.193 120.570 0.154 0.000 2.226 327 I HA -0.234 3.939 4.170 0.005 0.000 0.245 327 I C 1.854 178.112 176.117 0.235 0.000 1.100 327 I CA 0.877 62.348 61.300 0.286 0.000 1.374 327 I CB -0.127 38.019 38.000 0.243 0.000 1.057 327 I HN 0.087 8.297 8.210 -0.000 0.000 0.413 328 M N -0.049 119.647 119.600 0.161 0.000 2.279 328 M HA -0.151 4.332 4.480 0.005 0.000 0.264 328 M C 2.123 178.584 176.300 0.269 0.000 1.062 328 M CA 1.649 57.069 55.300 0.199 0.000 1.099 328 M CB -1.157 31.547 32.600 0.173 0.000 1.394 328 M HN 0.232 8.522 8.290 -0.000 0.000 0.426 329 R N -1.267 119.309 120.500 0.127 0.000 2.254 329 R HA 0.080 4.423 4.340 0.005 0.000 0.195 329 R C 1.653 177.941 176.300 -0.020 0.000 0.957 329 R CA 0.823 56.956 56.100 0.055 0.000 1.024 329 R CB 0.059 30.369 30.300 0.016 0.000 0.952 329 R HN 0.315 8.585 8.270 -0.000 0.000 0.484 330 T N -0.750 113.746 114.554 -0.097 0.000 3.042 330 T HA 0.125 4.478 4.350 0.005 0.000 0.245 330 T C -0.028 174.379 174.700 -0.488 0.000 1.029 330 T CA 0.646 62.524 62.100 -0.370 0.000 1.120 330 T CB 0.119 68.595 68.868 -0.654 0.000 0.917 330 T HN 0.003 8.243 8.240 -0.000 0.000 0.467 331 Y N 1.082 121.446 120.300 0.106 0.000 2.496 331 Y HA 0.450 5.004 4.550 0.006 0.000 0.331 331 Y C 1.601 177.588 175.900 0.145 0.000 1.140 331 Y CA -0.900 57.269 58.100 0.115 0.000 1.166 331 Y CB 1.264 39.794 38.460 0.117 0.000 1.249 331 Y HN -0.043 8.237 8.280 -0.000 0.000 0.479 332 T N -3.327 111.420 114.554 0.322 0.000 3.040 332 T HA 0.080 4.433 4.350 0.005 0.000 0.266 332 T C -0.298 174.552 174.700 0.250 0.000 1.005 332 T CA -0.101 62.146 62.100 0.245 0.000 0.906 332 T CB -0.438 68.540 68.868 0.183 0.000 1.082 332 T HN 0.419 8.659 8.240 -0.000 0.000 0.531 333 Y N 3.599 123.976 120.300 0.127 0.000 2.605 333 Y HA 0.240 4.793 4.550 0.005 0.000 0.336 333 Y C 1.592 177.530 175.900 0.063 0.000 1.111 333 Y CA -1.412 56.734 58.100 0.076 0.000 1.422 333 Y CB 0.594 39.084 38.460 0.051 0.000 1.193 333 Y HN 0.108 8.388 8.280 -0.000 0.000 0.526 334 E N 5.096 125.170 120.200 -0.211 0.000 2.070 334 E HA -0.297 4.056 4.350 0.005 0.000 0.197 334 E C 1.659 178.073 176.600 -0.311 0.000 1.004 334 E CA 1.839 58.099 56.400 -0.234 0.000 0.805 334 E CB 0.082 29.671 29.700 -0.185 0.000 0.744 334 E HN 0.868 9.228 8.360 -0.000 0.000 0.451 335 K N 0.081 120.066 120.400 -0.691 0.000 2.097 335 K HA -0.169 4.154 4.320 0.005 0.000 0.206 335 K C 2.412 178.962 176.600 -0.084 0.000 1.049 335 K CA 1.136 57.227 56.287 -0.328 0.000 0.933 335 K CB -0.199 32.056 32.500 -0.409 0.000 0.717 335 K HN 0.099 8.349 8.250 -0.000 0.000 0.442 336 L N 1.489 122.609 121.223 -0.172 0.000 2.027 336 L HA -0.116 4.227 4.340 0.005 0.000 0.206 336 L C 1.896 178.768 176.870 0.002 0.000 1.074 336 L CA 1.486 56.341 54.840 0.025 0.000 0.745 336 L CB -0.431 41.721 42.059 0.155 0.000 0.898 336 L HN 0.183 8.413 8.230 -0.000 0.000 0.433 337 L N -1.808 119.404 121.223 -0.018 0.000 2.042 337 L HA -0.243 4.100 4.340 0.005 0.000 0.210 337 L C 2.427 179.284 176.870 -0.022 0.000 1.076 337 L CA 1.785 56.578 54.840 -0.078 0.000 0.749 337 L CB -0.856 41.073 42.059 -0.215 0.000 0.893 337 L HN 0.548 8.778 8.230 -0.000 0.000 0.432 338 W N 0.966 122.175 121.300 -0.151 0.000 2.379 338 W HA -0.186 4.477 4.660 0.005 0.000 0.307 338 W C 2.525 179.004 176.519 -0.067 0.000 1.200 338 W CA 2.004 59.286 57.345 -0.106 0.000 1.297 338 W CB -0.601 28.792 29.460 -0.113 0.000 1.140 338 W HN -0.076 8.104 8.180 -0.000 0.000 0.507 339 T N 0.196 114.594 114.554 -0.260 0.000 2.788 339 T HA -0.197 4.156 4.350 0.005 0.000 0.268 339 T C 1.602 176.117 174.700 -0.308 0.000 1.044 339 T CA 2.360 64.174 62.100 -0.477 0.000 1.139 339 T CB -0.696 68.027 68.868 -0.242 0.000 0.867 339 T HN 0.167 8.407 8.240 -0.000 0.000 0.454 340 T N 1.990 116.445 114.554 -0.165 0.000 2.777 340 T HA -0.101 4.252 4.350 0.005 0.000 0.266 340 T C 2.454 177.096 174.700 -0.097 0.000 1.040 340 T CA 1.479 63.519 62.100 -0.101 0.000 1.141 340 T CB -0.430 68.416 68.868 -0.036 0.000 0.868 340 T HN 0.604 8.844 8.240 -0.000 0.000 0.444 341 S N 1.903 117.541 115.700 -0.105 0.000 2.419 341 S HA -0.104 4.369 4.470 0.005 0.000 0.233 341 S C 2.031 176.585 174.600 -0.077 0.000 1.016 341 S CA 0.699 58.865 58.200 -0.058 0.000 0.974 341 S CB -0.357 62.832 63.200 -0.018 0.000 0.786 341 S HN 0.456 8.766 8.310 -0.000 0.000 0.492 342 R N 0.468 120.846 120.500 -0.203 0.000 2.090 342 R HA 0.090 4.433 4.340 0.005 0.000 0.228 342 R C 2.288 178.522 176.300 -0.110 0.000 1.110 342 R CA 1.222 57.205 56.100 -0.195 0.000 0.973 342 R CB -0.617 29.433 30.300 -0.416 0.000 0.869 342 R HN 0.357 8.627 8.270 -0.000 0.000 0.440 343 V N 1.553 121.398 119.914 -0.115 0.000 2.307 343 V HA -0.217 3.906 4.120 0.005 0.000 0.245 343 V C 2.286 178.365 176.094 -0.024 0.000 1.045 343 V CA 1.614 63.877 62.300 -0.062 0.000 1.024 343 V CB -0.422 31.364 31.823 -0.062 0.000 0.651 343 V HN 0.263 8.453 8.190 -0.000 0.000 0.449 344 L N -0.095 121.117 121.223 -0.018 0.000 2.083 344 L HA -0.224 4.119 4.340 0.005 0.000 0.209 344 L C 2.582 179.465 176.870 0.022 0.000 1.083 344 L CA 1.901 56.745 54.840 0.007 0.000 0.752 344 L CB -0.578 41.491 42.059 0.017 0.000 0.899 344 L HN 0.331 8.561 8.230 -0.000 0.000 0.433 345 K N 0.015 120.433 120.400 0.030 0.000 2.057 345 K HA -0.150 4.173 4.320 0.005 0.000 0.207 345 K C 1.996 178.618 176.600 0.037 0.000 1.049 345 K CA 1.271 57.592 56.287 0.058 0.000 0.931 345 K CB 0.039 32.596 32.500 0.095 0.000 0.714 345 K HN 0.063 8.312 8.250 -0.000 0.000 0.440 346 V N 1.616 121.549 119.914 0.032 0.000 2.343 346 V HA -0.230 3.893 4.120 0.005 0.000 0.247 346 V C 2.193 178.286 176.094 -0.001 0.000 1.051 346 V CA 1.560 63.879 62.300 0.032 0.000 1.036 346 V CB -0.305 31.555 31.823 0.062 0.000 0.654 346 V HN 0.333 8.523 8.190 -0.000 0.000 0.451 347 L N 0.696 121.920 121.223 0.002 0.000 2.217 347 L HA -0.071 4.272 4.340 0.005 0.000 0.211 347 L C 2.579 179.448 176.870 -0.002 0.000 1.107 347 L CA 1.352 56.189 54.840 -0.004 0.000 0.783 347 L CB -0.656 41.403 42.059 -0.000 0.000 0.919 347 L HN 0.528 8.758 8.230 -0.000 0.000 0.442 348 S N -0.086 115.619 115.700 0.008 0.000 2.469 348 S HA -0.099 4.374 4.470 0.005 0.000 0.238 348 S C 1.634 176.235 174.600 0.002 0.000 0.998 348 S CA 0.928 59.136 58.200 0.013 0.000 0.957 348 S CB -0.640 62.579 63.200 0.031 0.000 0.764 348 S HN 0.365 8.675 8.310 -0.000 0.000 0.514 349 V N -1.453 118.454 119.914 -0.012 0.000 3.649 349 V HA 0.357 4.480 4.120 0.005 0.000 0.275 349 V C 1.024 177.100 176.094 -0.030 0.000 1.281 349 V CA -0.415 61.870 62.300 -0.025 0.000 1.143 349 V CB -1.397 30.399 31.823 -0.045 0.000 0.892 349 V HN 0.654 8.844 8.190 -0.000 0.000 0.441 350 C N 2.509 121.794 119.300 -0.025 0.000 2.347 350 C HA 0.571 5.034 4.460 0.005 0.000 0.353 350 C C 2.351 177.331 174.990 -0.017 0.000 1.273 350 C CA 0.379 59.381 59.018 -0.026 0.000 1.861 350 C CB 0.581 28.306 27.740 -0.025 0.000 2.420 350 C HN 0.730 8.960 8.230 -0.000 0.000 0.542 351 S N 3.766 119.455 115.700 -0.018 0.000 2.442 351 S HA -0.114 4.359 4.470 0.005 0.000 0.236 351 S C 1.505 176.100 174.600 -0.009 0.000 1.007 351 S CA 1.687 59.879 58.200 -0.013 0.000 0.965 351 S CB -0.216 62.976 63.200 -0.014 0.000 0.773 351 S HN 0.839 9.149 8.310 -0.000 0.000 0.504 352 S N 1.964 117.658 115.700 -0.010 0.000 2.427 352 S HA 0.138 4.611 4.470 0.005 0.000 0.224 352 S C 1.838 176.435 174.600 -0.004 0.000 1.047 352 S CA 0.215 58.411 58.200 -0.007 0.000 0.953 352 S CB -0.376 62.819 63.200 -0.008 0.000 0.824 352 S HN 0.559 8.869 8.310 -0.000 0.000 0.502 353 N N 1.605 120.302 118.700 -0.005 0.000 2.216 353 N HA -0.058 4.685 4.740 0.005 0.000 0.183 353 N C 1.735 177.246 175.510 0.002 0.000 1.017 353 N CA 0.712 53.761 53.050 -0.001 0.000 0.861 353 N CB -0.145 38.340 38.487 -0.003 0.000 0.986 353 N HN 0.389 8.769 8.380 -0.000 0.000 0.428 354 K N 1.353 121.753 120.400 0.001 0.000 2.015 354 K HA -0.150 4.173 4.320 0.005 0.000 0.216 354 K C -0.885 175.718 176.600 0.005 0.000 1.052 354 K CA 1.594 57.884 56.287 0.005 0.000 0.937 354 K CB -0.728 31.774 32.500 0.003 0.000 0.719 354 K HN 0.052 8.302 8.250 -0.000 0.000 0.446 355 P HA -0.119 4.301 4.420 -0.000 0.000 0.216 355 P C 0.891 178.193 177.300 0.004 0.000 1.150 355 P CA 1.874 64.975 63.100 0.002 0.000 0.837 355 P CB -0.061 31.639 31.700 0.000 0.000 0.786 356 A N -0.744 122.079 122.820 0.004 0.000 1.930 356 A HA -0.165 4.158 4.320 0.005 0.000 0.217 356 A C 2.185 179.775 177.584 0.009 0.000 1.175 356 A CA 1.368 53.409 52.037 0.006 0.000 0.627 356 A CB -1.583 17.421 19.000 0.006 0.000 0.815 356 A HN 0.111 8.261 8.150 -0.000 0.000 0.443 357 I N -0.561 120.015 120.570 0.011 0.000 2.226 357 I HA -0.204 3.969 4.170 0.005 0.000 0.245 357 I C 2.346 178.472 176.117 0.015 0.000 1.100 357 I CA 1.056 62.366 61.300 0.015 0.000 1.374 357 I CB -0.368 37.643 38.000 0.018 0.000 1.057 357 I HN 0.146 8.356 8.210 -0.000 0.000 0.413 358 V N 0.631 120.552 119.914 0.012 0.000 2.295 358 V HA -0.246 3.877 4.120 0.005 0.000 0.246 358 V C 2.479 178.577 176.094 0.006 0.000 1.049 358 V CA 1.759 64.064 62.300 0.009 0.000 1.024 358 V CB -0.614 31.212 31.823 0.006 0.000 0.648 358 V HN 0.395 8.585 8.190 -0.000 0.000 0.447 359 E N 0.301 120.504 120.200 0.005 0.000 2.204 359 E HA -0.116 4.237 4.350 0.005 0.000 0.195 359 E C 2.145 178.748 176.600 0.006 0.000 0.990 359 E CA 1.301 57.703 56.400 0.003 0.000 0.821 359 E CB -0.423 29.279 29.700 0.003 0.000 0.750 359 E HN 0.592 8.952 8.360 -0.000 0.000 0.477 360 A N -0.021 122.804 122.820 0.009 0.000 2.235 360 A HA 0.254 4.577 4.320 0.005 0.000 0.208 360 A C 1.570 179.162 177.584 0.013 0.000 1.172 360 A CA 1.027 53.071 52.037 0.012 0.000 0.786 360 A CB -0.205 18.805 19.000 0.017 0.000 0.804 360 A HN 0.254 8.404 8.150 -0.000 0.000 0.479 361 G N -2.184 106.623 108.800 0.011 0.000 2.130 361 G HA2 -0.107 3.856 3.960 0.005 0.000 0.216 361 G HA3 -0.107 3.856 3.960 0.005 0.000 0.216 361 G C 1.117 176.028 174.900 0.018 0.000 0.999 361 G CA 0.494 45.600 45.100 0.011 0.000 0.686 361 G HN 1.174 9.464 8.290 -0.000 0.000 0.515 362 G N 0.013 108.827 108.800 0.022 0.000 2.422 362 G HA2 -0.071 3.892 3.960 0.005 0.000 0.218 362 G HA3 -0.071 3.892 3.960 0.005 0.000 0.218 362 G C 1.880 176.800 174.900 0.034 0.000 1.146 362 G CA 1.714 46.833 45.100 0.032 0.000 0.769 362 G HN 0.425 8.715 8.290 -0.000 0.000 0.547 363 M N 0.291 119.905 119.600 0.024 0.000 2.065 363 M HA -0.095 4.388 4.480 0.005 0.000 0.259 363 M C 2.673 178.984 176.300 0.019 0.000 1.069 363 M CA 1.402 56.716 55.300 0.022 0.000 1.110 363 M CB -1.336 31.271 32.600 0.012 0.000 1.328 363 M HN 0.217 8.507 8.290 -0.000 0.000 0.405 364 Q N 0.168 119.974 119.800 0.009 0.000 2.124 364 Q HA -0.015 4.328 4.340 0.005 0.000 0.202 364 Q C 2.233 178.232 176.000 -0.001 0.000 0.977 364 Q CA 2.008 57.810 55.803 -0.001 0.000 0.850 364 Q CB -0.690 28.044 28.738 -0.007 0.000 0.901 364 Q HN 0.602 8.872 8.270 -0.000 0.000 0.429 365 A N 0.322 123.155 122.820 0.021 0.000 1.898 365 A HA -0.108 4.215 4.320 0.005 0.000 0.216 365 A C 2.038 179.679 177.584 0.095 0.000 1.181 365 A CA 1.052 53.117 52.037 0.045 0.000 0.620 365 A CB -0.650 18.392 19.000 0.070 0.000 0.819 365 A HN 0.331 8.481 8.150 -0.000 0.000 0.442 366 L N -0.596 120.688 121.223 0.100 0.000 2.093 366 L HA -0.105 4.238 4.340 0.005 0.000 0.208 366 L C 2.755 179.684 176.870 0.098 0.000 1.085 366 L CA 0.958 55.882 54.840 0.139 0.000 0.755 366 L CB -0.684 41.430 42.059 0.092 0.000 0.904 366 L HN 0.489 8.719 8.230 -0.000 0.000 0.435 367 G N 0.008 108.827 108.800 0.032 0.000 2.448 367 G HA2 -0.197 3.766 3.960 0.005 0.000 0.219 367 G HA3 -0.197 3.766 3.960 0.005 0.000 0.219 367 G C 1.591 176.456 174.900 -0.059 0.000 1.127 367 G CA 0.328 45.425 45.100 -0.004 0.000 0.766 367 G HN 0.269 8.559 8.290 -0.000 0.000 0.552 368 L N -0.056 121.080 121.223 -0.145 0.000 2.265 368 L HA -0.030 4.313 4.340 0.005 0.000 0.215 368 L C 1.887 178.491 176.870 -0.443 0.000 1.117 368 L CA 0.714 55.359 54.840 -0.324 0.000 0.782 368 L CB -0.241 41.529 42.059 -0.481 0.000 0.914 368 L HN 0.313 8.543 8.230 -0.000 0.000 0.441 369 H N -1.059 118.018 119.070 0.011 0.000 2.594 369 H HA 0.207 4.766 4.556 0.005 0.000 0.279 369 H C 1.853 177.180 175.328 -0.002 0.000 1.042 369 H CA -0.010 56.045 56.048 0.011 0.000 1.177 369 H CB 0.536 30.312 29.762 0.024 0.000 1.524 369 H HN 0.321 8.601 8.280 -0.000 0.000 0.537 370 L N 1.087 122.341 121.223 0.052 0.000 2.551 370 L HA -0.049 4.294 4.340 0.005 0.000 0.228 370 L C 1.661 178.534 176.870 0.006 0.000 1.153 370 L CA 1.349 56.202 54.840 0.021 0.000 0.851 370 L CB -0.157 41.903 42.059 0.001 0.000 0.959 370 L HN 0.220 8.450 8.230 -0.000 0.000 0.451 371 T N -5.778 108.781 114.554 0.009 0.000 3.182 371 T HA 0.089 4.442 4.350 0.005 0.000 0.277 371 T C 0.451 175.158 174.700 0.012 0.000 1.013 371 T CA -0.569 61.531 62.100 0.001 0.000 0.900 371 T CB -0.033 68.830 68.868 -0.008 0.000 1.098 371 T HN 0.056 8.296 8.240 -0.000 0.000 0.543 372 D N 2.263 122.682 120.400 0.033 0.000 2.399 372 D HA 0.131 4.774 4.640 0.005 0.000 0.241 372 D C -1.479 174.824 176.300 0.005 0.000 1.133 372 D CA -1.492 52.531 54.000 0.039 0.000 0.890 372 D CB 1.907 42.751 40.800 0.074 0.000 1.201 372 D HN 0.007 8.377 8.370 -0.000 0.000 0.432 373 P HA -0.052 4.368 4.420 -0.000 0.000 0.223 373 P C 0.230 177.506 177.300 -0.040 0.000 1.151 373 P CA 0.481 63.569 63.100 -0.020 0.000 0.787 373 P CB 0.218 31.908 31.700 -0.017 0.000 0.788 374 S N 0.140 115.812 115.700 -0.046 0.000 2.443 374 S HA 0.019 4.492 4.470 0.005 0.000 0.284 374 S C 1.212 175.765 174.600 -0.079 0.000 1.206 374 S CA -0.231 57.920 58.200 -0.082 0.000 1.074 374 S CB -0.026 63.114 63.200 -0.100 0.000 0.963 374 S HN 0.097 8.407 8.310 -0.000 0.000 0.501 375 Q N 3.844 123.588 119.800 -0.094 0.000 2.172 375 Q HA -0.140 4.203 4.340 0.005 0.000 0.200 375 Q C 2.270 178.205 176.000 -0.109 0.000 0.964 375 Q CA 1.308 57.054 55.803 -0.095 0.000 0.855 375 Q CB -0.088 28.597 28.738 -0.089 0.000 0.918 375 Q HN 0.888 9.158 8.270 -0.000 0.000 0.444 376 R N 0.422 120.846 120.500 -0.127 0.000 2.092 376 R HA -0.111 4.232 4.340 0.005 0.000 0.231 376 R C 2.093 178.428 176.300 0.058 0.000 1.119 376 R CA 1.091 57.140 56.100 -0.084 0.000 0.970 376 R CB -0.516 29.613 30.300 -0.284 0.000 0.864 376 R HN 0.157 8.427 8.270 -0.000 0.000 0.440 377 L N 1.256 122.495 121.223 0.026 0.000 2.072 377 L HA -0.030 4.313 4.340 0.005 0.000 0.205 377 L C 2.156 179.050 176.870 0.039 0.000 1.079 377 L CA 1.325 56.231 54.840 0.110 0.000 0.752 377 L CB -0.265 41.821 42.059 0.045 0.000 0.906 377 L HN 0.042 8.272 8.230 -0.000 0.000 0.436 378 V N -0.268 119.635 119.914 -0.019 0.000 2.295 378 V HA -0.299 3.825 4.120 0.005 0.000 0.246 378 V C 2.665 178.676 176.094 -0.138 0.000 1.049 378 V CA 1.899 64.169 62.300 -0.050 0.000 1.024 378 V CB -0.680 31.105 31.823 -0.063 0.000 0.648 378 V HN 0.558 8.748 8.190 -0.000 0.000 0.447 379 Q N 0.551 120.208 119.800 -0.239 0.000 2.084 379 Q HA -0.165 4.178 4.340 0.005 0.000 0.202 379 Q C 2.045 177.703 176.000 -0.570 0.000 0.978 379 Q CA 1.850 57.322 55.803 -0.553 0.000 0.844 379 Q CB -0.510 27.800 28.738 -0.714 0.000 0.898 379 Q HN 0.627 8.897 8.270 -0.000 0.000 0.426 380 N N -0.929 117.671 118.700 -0.167 0.000 2.188 380 N HA -0.125 4.618 4.740 0.005 0.000 0.184 380 N C 1.686 177.255 175.510 0.097 0.000 1.018 380 N CA 1.312 54.431 53.050 0.116 0.000 0.858 380 N CB -0.238 38.370 38.487 0.201 0.000 0.989 380 N HN 0.319 8.699 8.380 -0.000 0.000 0.426 381 C N 0.895 120.214 119.300 0.031 0.000 2.453 381 C HA 0.026 4.489 4.460 0.005 0.000 0.277 381 C C 2.870 177.883 174.990 0.038 0.000 1.262 381 C CA 0.125 59.174 59.018 0.052 0.000 1.718 381 C CB -1.118 26.659 27.740 0.062 0.000 2.031 381 C HN 0.407 8.637 8.230 -0.000 0.000 0.480 382 L N -0.585 120.611 121.223 -0.044 0.000 2.042 382 L HA -0.182 4.161 4.340 0.005 0.000 0.210 382 L C 2.741 179.648 176.870 0.062 0.000 1.076 382 L CA 1.569 56.379 54.840 -0.049 0.000 0.749 382 L CB -0.586 41.373 42.059 -0.167 0.000 0.893 382 L HN 0.505 8.735 8.230 -0.000 0.000 0.432 383 W N 0.354 121.675 121.300 0.035 0.000 2.358 383 W HA -0.138 4.524 4.660 0.004 0.000 0.303 383 W C 2.718 179.251 176.519 0.024 0.000 1.208 383 W CA 1.537 58.900 57.345 0.029 0.000 1.274 383 W CB -1.462 28.017 29.460 0.032 0.000 1.138 383 W HN 0.178 8.358 8.180 -0.000 0.000 0.515 384 T N 1.352 116.065 114.554 0.264 0.000 2.708 384 T HA -0.172 4.181 4.350 0.005 0.000 0.266 384 T C 2.141 176.907 174.700 0.111 0.000 1.037 384 T CA 1.426 63.618 62.100 0.154 0.000 1.146 384 T CB -0.745 68.193 68.868 0.117 0.000 0.865 384 T HN 0.006 8.246 8.240 -0.000 0.000 0.435 385 L N 0.473 121.755 121.223 0.099 0.000 2.042 385 L HA -0.131 4.212 4.340 0.005 0.000 0.210 385 L C 2.887 179.800 176.870 0.073 0.000 1.076 385 L CA 1.447 56.329 54.840 0.071 0.000 0.749 385 L CB -0.435 41.658 42.059 0.055 0.000 0.893 385 L HN 0.172 8.402 8.230 -0.000 0.000 0.432 386 R N 0.007 120.566 120.500 0.099 0.000 2.075 386 R HA -0.144 4.199 4.340 0.005 0.000 0.232 386 R C 2.099 178.446 176.300 0.079 0.000 1.126 386 R CA 1.453 57.610 56.100 0.095 0.000 0.963 386 R CB -0.058 30.321 30.300 0.133 0.000 0.858 386 R HN 0.379 8.649 8.270 -0.000 0.000 0.435 387 N N 0.654 119.404 118.700 0.084 0.000 2.166 387 N HA -0.139 4.604 4.740 0.005 0.000 0.186 387 N C 1.713 177.246 175.510 0.039 0.000 1.019 387 N CA 1.144 54.225 53.050 0.053 0.000 0.856 387 N CB -0.092 38.424 38.487 0.048 0.000 0.993 387 N HN 0.289 8.669 8.380 -0.000 0.000 0.426 388 L N 0.722 121.971 121.223 0.043 0.000 2.270 388 L HA -0.004 4.339 4.340 0.005 0.000 0.210 388 L C 2.304 179.190 176.870 0.027 0.000 1.104 388 L CA 0.477 55.336 54.840 0.031 0.000 0.804 388 L CB -0.449 41.630 42.059 0.033 0.000 0.937 388 L HN 0.157 8.387 8.230 -0.000 0.000 0.450 389 S N 0.384 116.104 115.700 0.033 0.000 2.392 389 S HA -0.268 4.205 4.470 0.005 0.000 0.232 389 S C 1.650 176.262 174.600 0.021 0.000 1.041 389 S CA 1.578 59.795 58.200 0.028 0.000 1.026 389 S CB -0.689 62.533 63.200 0.038 0.000 0.845 389 S HN 0.654 8.964 8.310 -0.000 0.000 0.465 390 D N 2.066 122.479 120.400 0.022 0.000 2.350 390 D HA 0.032 4.675 4.640 0.005 0.000 0.216 390 D C 1.371 177.674 176.300 0.006 0.000 0.968 390 D CA 1.049 55.058 54.000 0.015 0.000 0.894 390 D CB -0.293 40.517 40.800 0.017 0.000 0.909 390 D HN 0.656 9.026 8.370 -0.000 0.000 0.520 391 A N -0.308 122.516 122.820 0.006 0.000 2.503 391 A HA 0.631 4.954 4.320 0.005 0.000 0.263 391 A C 1.517 179.100 177.584 -0.002 0.000 1.258 391 A CA 0.198 52.235 52.037 0.001 0.000 0.936 391 A CB 0.411 19.413 19.000 0.003 0.000 1.070 391 A HN 0.263 8.413 8.150 -0.000 0.000 0.522 392 A N -0.347 122.472 122.820 -0.003 0.000 2.564 392 A HA 0.312 4.635 4.320 0.005 0.000 0.279 392 A C 1.624 179.197 177.584 -0.019 0.000 1.232 392 A CA 0.892 52.925 52.037 -0.008 0.000 0.950 392 A CB -0.840 18.159 19.000 -0.000 0.000 1.138 392 A HN 0.548 8.698 8.150 -0.000 0.000 0.526 393 T N -2.578 111.961 114.554 -0.024 0.000 3.098 393 T HA 0.010 4.363 4.350 0.005 0.000 0.266 393 T C 1.179 175.845 174.700 -0.056 0.000 1.145 393 T CA 1.009 63.084 62.100 -0.041 0.000 1.092 393 T CB -0.146 68.695 68.868 -0.045 0.000 0.908 393 T HN 0.155 8.395 8.240 -0.000 0.000 0.526 394 K N 0.371 120.743 120.400 -0.047 0.000 2.358 394 K HA 0.285 4.608 4.320 0.005 0.000 0.200 394 K C 0.585 177.154 176.600 -0.052 0.000 1.030 394 K CA -0.050 56.204 56.287 -0.055 0.000 1.097 394 K CB 0.372 32.848 32.500 -0.040 0.000 0.862 394 K HN 0.413 8.663 8.250 -0.000 0.000 0.534 395 Q N 1.414 121.189 119.800 -0.042 0.000 2.373 395 Q HA 0.077 4.420 4.340 0.005 0.000 0.255 395 Q C 0.238 176.211 176.000 -0.045 0.000 0.980 395 Q CA 0.604 56.386 55.803 -0.035 0.000 0.882 395 Q CB 1.006 29.730 28.738 -0.024 0.000 1.249 395 Q HN 0.099 8.369 8.270 -0.000 0.000 0.438 396 E N -0.569 119.608 120.200 -0.038 0.000 2.259 396 E HA 0.421 4.775 4.350 0.005 0.000 0.257 396 E C 0.176 176.759 176.600 -0.028 0.000 0.998 396 E CA -0.470 55.907 56.400 -0.039 0.000 0.866 396 E CB 1.139 30.818 29.700 -0.034 0.000 1.220 396 E HN 0.783 9.143 8.360 -0.000 0.000 0.415 397 G N 1.238 110.022 108.800 -0.025 0.000 2.249 397 G HA2 -0.232 3.731 3.960 0.005 0.000 0.273 397 G HA3 -0.232 3.731 3.960 0.005 0.000 0.273 397 G C 0.564 175.452 174.900 -0.020 0.000 1.036 397 G CA 0.474 45.563 45.100 -0.020 0.000 0.824 397 G HN 0.237 8.527 8.290 -0.000 0.000 0.504 398 M N -0.819 118.766 119.600 -0.024 0.000 2.428 398 M HA 0.178 4.661 4.480 0.005 0.000 0.239 398 M C 1.927 178.215 176.300 -0.019 0.000 1.121 398 M CA 0.549 55.837 55.300 -0.022 0.000 1.019 398 M CB -0.152 32.432 32.600 -0.026 0.000 1.485 398 M HN 0.277 8.567 8.290 -0.000 0.000 0.484 399 E N 1.242 121.431 120.200 -0.018 0.000 2.048 399 E HA -0.157 4.196 4.350 0.005 0.000 0.202 399 E C 2.151 178.743 176.600 -0.014 0.000 1.021 399 E CA 2.015 58.407 56.400 -0.014 0.000 0.825 399 E CB -0.933 28.761 29.700 -0.010 0.000 0.756 399 E HN 0.567 8.927 8.360 -0.000 0.000 0.454 400 G N 0.739 109.529 108.800 -0.016 0.000 2.446 400 G HA2 -0.267 3.696 3.960 0.005 0.000 0.217 400 G HA3 -0.267 3.696 3.960 0.005 0.000 0.217 400 G C 1.534 176.423 174.900 -0.019 0.000 1.168 400 G CA 1.009 46.097 45.100 -0.019 0.000 0.771 400 G HN 0.234 8.524 8.290 -0.000 0.000 0.551 401 L N 0.027 121.239 121.223 -0.018 0.000 2.017 401 L HA 0.025 4.368 4.340 0.005 0.000 0.208 401 L C 2.538 179.402 176.870 -0.010 0.000 1.073 401 L CA 1.423 56.255 54.840 -0.014 0.000 0.745 401 L CB -0.623 41.431 42.059 -0.009 0.000 0.894 401 L HN 0.100 8.330 8.230 -0.000 0.000 0.432 402 L N 0.258 121.475 121.223 -0.011 0.000 2.012 402 L HA -0.091 4.252 4.340 0.005 0.000 0.210 402 L C 2.606 179.471 176.870 -0.008 0.000 1.073 402 L CA 2.017 56.852 54.840 -0.009 0.000 0.748 402 L CB -2.087 39.965 42.059 -0.012 0.000 0.891 402 L HN 0.435 8.665 8.230 -0.000 0.000 0.431 403 G N -1.935 106.860 108.800 -0.009 0.000 2.446 403 G HA2 -0.267 3.696 3.960 0.005 0.000 0.217 403 G HA3 -0.267 3.696 3.960 0.005 0.000 0.217 403 G C 1.540 176.434 174.900 -0.010 0.000 1.168 403 G CA 1.345 46.440 45.100 -0.009 0.000 0.771 403 G HN 0.398 8.688 8.290 -0.000 0.000 0.551 404 T N 1.381 115.927 114.554 -0.012 0.000 2.777 404 T HA -0.012 4.341 4.350 0.005 0.000 0.266 404 T C 2.440 177.133 174.700 -0.012 0.000 1.040 404 T CA 0.857 62.949 62.100 -0.014 0.000 1.141 404 T CB -0.198 68.661 68.868 -0.016 0.000 0.868 404 T HN 0.152 8.392 8.240 -0.000 0.000 0.444 405 L N 0.749 121.966 121.223 -0.009 0.000 2.079 405 L HA -0.100 4.243 4.340 0.005 0.000 0.210 405 L C 2.651 179.516 176.870 -0.008 0.000 1.081 405 L CA 0.884 55.720 54.840 -0.007 0.000 0.752 405 L CB -0.722 41.336 42.059 -0.001 0.000 0.896 405 L HN 0.145 8.375 8.230 -0.000 0.000 0.433 406 V N -0.486 119.423 119.914 -0.008 0.000 2.343 406 V HA -0.306 3.817 4.120 0.005 0.000 0.247 406 V C 2.457 178.543 176.094 -0.014 0.000 1.051 406 V CA 1.721 64.015 62.300 -0.010 0.000 1.036 406 V CB -0.539 31.278 31.823 -0.010 0.000 0.654 406 V HN 0.512 8.702 8.190 -0.000 0.000 0.451 407 Q N -0.374 119.418 119.800 -0.013 0.000 2.084 407 Q HA -0.137 4.206 4.340 0.005 0.000 0.202 407 Q C 2.236 178.226 176.000 -0.016 0.000 0.978 407 Q CA 1.408 57.202 55.803 -0.015 0.000 0.844 407 Q CB -0.264 28.466 28.738 -0.014 0.000 0.898 407 Q HN 0.534 8.805 8.270 -0.000 0.000 0.426 408 L N 0.638 121.851 121.223 -0.016 0.000 2.353 408 L HA -0.153 4.190 4.340 0.005 0.000 0.220 408 L C 2.002 178.861 176.870 -0.017 0.000 1.133 408 L CA 0.463 55.292 54.840 -0.019 0.000 0.798 408 L CB -0.334 41.711 42.059 -0.023 0.000 0.922 408 L HN 0.281 8.511 8.230 -0.000 0.000 0.445 409 L N -0.381 120.833 121.223 -0.014 0.000 2.362 409 L HA -0.088 4.256 4.340 0.005 0.000 0.219 409 L C 2.185 179.047 176.870 -0.013 0.000 1.134 409 L CA 0.901 55.734 54.840 -0.012 0.000 0.807 409 L CB -0.591 41.461 42.059 -0.012 0.000 0.927 409 L HN 0.307 8.537 8.230 -0.000 0.000 0.447 410 G N -1.353 107.438 108.800 -0.015 0.000 3.189 410 G HA2 -0.035 3.928 3.960 0.005 0.000 0.225 410 G HA3 -0.035 3.928 3.960 0.005 0.000 0.225 410 G C 0.666 175.558 174.900 -0.014 0.000 1.159 410 G CA -0.062 45.029 45.100 -0.014 0.000 0.763 410 G HN 0.207 8.497 8.290 -0.000 0.000 0.549 411 S N -0.260 115.430 115.700 -0.016 0.000 2.584 411 S HA 0.105 4.578 4.470 0.005 0.000 0.270 411 S C 0.828 175.419 174.600 -0.015 0.000 1.346 411 S CA -0.291 57.899 58.200 -0.018 0.000 1.018 411 S CB 0.850 64.036 63.200 -0.024 0.000 0.899 411 S HN 0.195 8.505 8.310 -0.000 0.000 0.542 412 D N 0.585 120.976 120.400 -0.015 0.000 2.360 412 D HA 0.085 4.728 4.640 0.005 0.000 0.210 412 D C -0.272 176.021 176.300 -0.011 0.000 1.047 412 D CA 0.223 54.216 54.000 -0.011 0.000 0.854 412 D CB 0.055 40.849 40.800 -0.011 0.000 0.936 412 D HN 0.552 8.922 8.370 -0.000 0.000 0.514 413 D N 1.555 121.945 120.400 -0.017 0.000 2.339 413 D HA -0.001 4.642 4.640 0.005 0.000 0.241 413 D C 1.600 177.893 176.300 -0.012 0.000 1.183 413 D CA -0.428 53.561 54.000 -0.018 0.000 0.859 413 D CB 0.871 41.650 40.800 -0.035 0.000 1.067 413 D HN -0.170 8.200 8.370 -0.000 0.000 0.484 414 I N 3.989 124.560 120.570 0.002 0.000 2.194 414 I HA -0.289 3.884 4.170 0.005 0.000 0.246 414 I C 1.800 177.929 176.117 0.020 0.000 1.093 414 I CA 1.131 62.439 61.300 0.013 0.000 1.355 414 I CB -0.890 37.124 38.000 0.023 0.000 1.046 414 I HN 0.533 8.743 8.210 -0.000 0.000 0.413 415 N N 0.105 118.818 118.700 0.021 0.000 2.166 415 N HA -0.125 4.618 4.740 0.005 0.000 0.186 415 N C 1.980 177.474 175.510 -0.027 0.000 1.019 415 N CA 0.848 53.916 53.050 0.031 0.000 0.856 415 N CB 0.105 38.610 38.487 0.031 0.000 0.993 415 N HN 0.111 8.491 8.380 -0.000 0.000 0.426 416 V N 0.830 120.709 119.914 -0.059 0.000 2.295 416 V HA -0.183 3.940 4.120 0.005 0.000 0.246 416 V C 2.269 178.343 176.094 -0.033 0.000 1.049 416 V CA 1.309 63.565 62.300 -0.072 0.000 1.024 416 V CB -0.392 31.390 31.823 -0.069 0.000 0.648 416 V HN 0.130 8.320 8.190 -0.000 0.000 0.447 417 V N 0.928 120.833 119.914 -0.016 0.000 2.295 417 V HA -0.282 3.841 4.120 0.005 0.000 0.246 417 V C 2.855 178.956 176.094 0.011 0.000 1.049 417 V CA 2.633 64.931 62.300 -0.003 0.000 1.024 417 V CB -1.350 30.474 31.823 0.000 0.000 0.648 417 V HN 0.847 9.037 8.190 -0.000 0.000 0.447 418 T N -2.482 112.086 114.554 0.024 0.000 2.684 418 T HA -0.273 4.080 4.350 0.005 0.000 0.267 418 T C 1.913 176.644 174.700 0.051 0.000 1.036 418 T CA 1.999 64.124 62.100 0.042 0.000 1.148 418 T CB -1.085 67.821 68.868 0.064 0.000 0.863 418 T HN 0.451 8.691 8.240 -0.000 0.000 0.436 419 C N 1.867 121.198 119.300 0.051 0.000 2.453 419 C HA 0.303 4.766 4.460 0.005 0.000 0.277 419 C C 3.516 178.528 174.990 0.035 0.000 1.262 419 C CA 0.404 59.458 59.018 0.059 0.000 1.718 419 C CB -1.600 26.156 27.740 0.026 0.000 2.031 419 C HN 0.763 8.993 8.230 -0.000 0.000 0.480 420 A N 0.510 123.338 122.820 0.012 0.000 1.908 420 A HA -0.028 4.295 4.320 0.005 0.000 0.218 420 A C 2.344 179.938 177.584 0.017 0.000 1.181 420 A CA 2.289 54.331 52.037 0.008 0.000 0.627 420 A CB -0.922 18.075 19.000 -0.004 0.000 0.818 420 A HN 0.601 8.751 8.150 -0.000 0.000 0.445 421 A N -0.636 122.195 122.820 0.018 0.000 1.898 421 A HA 0.152 4.475 4.320 0.005 0.000 0.216 421 A C 2.416 180.017 177.584 0.029 0.000 1.181 421 A CA 1.892 53.940 52.037 0.019 0.000 0.620 421 A CB -1.348 17.662 19.000 0.016 0.000 0.819 421 A HN 0.728 8.878 8.150 -0.000 0.000 0.442 422 G N 0.049 108.873 108.800 0.040 0.000 2.418 422 G HA2 -0.166 3.798 3.960 0.005 0.000 0.217 422 G HA3 -0.166 3.798 3.960 0.005 0.000 0.217 422 G C 1.523 176.456 174.900 0.054 0.000 1.158 422 G CA 1.115 46.246 45.100 0.051 0.000 0.771 422 G HN 0.475 8.765 8.290 -0.000 0.000 0.545 423 I N 0.312 120.912 120.570 0.050 0.000 2.179 423 I HA -0.118 4.055 4.170 0.005 0.000 0.242 423 I C 2.689 178.832 176.117 0.043 0.000 1.088 423 I CA 0.676 62.003 61.300 0.046 0.000 1.357 423 I CB -0.225 37.798 38.000 0.038 0.000 1.051 423 I HN 0.105 8.315 8.210 -0.000 0.000 0.409 424 L N -0.204 121.042 121.223 0.037 0.000 2.131 424 L HA -0.217 4.126 4.340 0.005 0.000 0.210 424 L C 2.745 179.657 176.870 0.070 0.000 1.092 424 L CA 1.176 56.039 54.840 0.039 0.000 0.759 424 L CB -0.498 41.575 42.059 0.024 0.000 0.903 424 L HN 0.253 8.483 8.230 -0.000 0.000 0.435 425 S N 0.090 115.834 115.700 0.073 0.000 2.356 425 S HA -0.178 4.295 4.470 0.005 0.000 0.223 425 S C 1.846 176.580 174.600 0.223 0.000 1.032 425 S CA 1.658 59.929 58.200 0.119 0.000 1.005 425 S CB -0.132 63.109 63.200 0.068 0.000 0.867 425 S HN 0.447 8.757 8.310 -0.000 0.000 0.449 426 N N 1.267 120.044 118.700 0.127 0.000 2.171 426 N HA 0.087 4.830 4.740 0.005 0.000 0.184 426 N C 1.711 177.248 175.510 0.044 0.000 1.021 426 N CA 0.939 54.041 53.050 0.087 0.000 0.854 426 N CB -0.550 37.971 38.487 0.057 0.000 0.994 426 N HN 0.407 8.787 8.380 -0.000 0.000 0.426 427 L N 0.737 121.985 121.223 0.041 0.000 2.275 427 L HA -0.056 4.287 4.340 0.005 0.000 0.215 427 L C 1.655 178.526 176.870 0.001 0.000 1.119 427 L CA 1.121 55.967 54.840 0.010 0.000 0.790 427 L CB -0.688 41.376 42.059 0.007 0.000 0.919 427 L HN 0.260 8.490 8.230 -0.000 0.000 0.443 428 T N -4.647 109.937 114.554 0.050 0.000 3.169 428 T HA 0.061 4.414 4.350 0.005 0.000 0.250 428 T C 0.691 175.368 174.700 -0.038 0.000 1.111 428 T CA -0.357 61.771 62.100 0.047 0.000 1.010 428 T CB -0.814 68.139 68.868 0.141 0.000 0.984 428 T HN 0.138 8.378 8.240 -0.000 0.000 0.537 429 C N 3.601 122.823 119.300 -0.131 0.000 2.520 429 C HA 0.306 4.769 4.460 0.005 0.000 0.369 429 C C 0.991 175.881 174.990 -0.166 0.000 1.244 429 C CA -0.697 58.137 59.018 -0.306 0.000 1.677 429 C CB -1.767 25.825 27.740 -0.246 0.000 2.324 429 C HN 0.705 8.935 8.230 -0.000 0.000 0.557 430 N N 1.728 120.345 118.700 -0.138 0.000 2.713 430 N HA -0.191 4.552 4.740 0.005 0.000 0.251 430 N C -0.373 175.110 175.510 -0.045 0.000 1.117 430 N CA 0.938 53.957 53.050 -0.053 0.000 0.770 430 N CB -1.022 37.437 38.487 -0.047 0.000 1.137 430 N HN 0.823 9.203 8.380 -0.000 0.000 0.566 431 N N 0.634 119.286 118.700 -0.079 0.000 2.558 431 N HA 0.111 4.855 4.740 0.005 0.000 0.242 431 N C 1.025 176.457 175.510 -0.131 0.000 0.979 431 N CA -0.444 52.512 53.050 -0.157 0.000 0.931 431 N CB 0.489 38.886 38.487 -0.150 0.000 1.122 431 N HN 0.191 8.571 8.380 -0.000 0.000 0.508 432 Y N 3.213 123.498 120.300 -0.026 0.000 2.352 432 Y HA 0.097 4.648 4.550 0.002 0.000 0.292 432 Y C 1.551 177.422 175.900 -0.047 0.000 1.136 432 Y CA 0.916 59.002 58.100 -0.024 0.000 1.227 432 Y CB -0.155 38.334 38.460 0.049 0.000 0.991 432 Y HN 0.292 8.572 8.280 -0.000 0.000 0.545 433 K N 0.384 120.687 120.400 -0.162 0.000 2.103 433 K HA -0.102 4.221 4.320 0.005 0.000 0.204 433 K C 1.604 178.170 176.600 -0.056 0.000 1.052 433 K CA 1.286 57.548 56.287 -0.042 0.000 0.945 433 K CB -0.192 32.226 32.500 -0.137 0.000 0.722 433 K HN 0.275 8.525 8.250 -0.000 0.000 0.443 434 N N 1.305 119.943 118.700 -0.103 0.000 2.142 434 N HA -0.105 4.638 4.740 0.005 0.000 0.186 434 N C 1.426 176.881 175.510 -0.092 0.000 1.023 434 N CA 1.160 54.162 53.050 -0.079 0.000 0.852 434 N CB -0.020 38.421 38.487 -0.077 0.000 0.998 434 N HN 0.174 8.554 8.380 -0.000 0.000 0.424 435 K N 0.184 120.491 120.400 -0.155 0.000 2.057 435 K HA -0.005 4.318 4.320 0.005 0.000 0.207 435 K C 1.944 178.369 176.600 -0.291 0.000 1.049 435 K CA 0.901 57.002 56.287 -0.309 0.000 0.931 435 K CB -0.087 32.031 32.500 -0.637 0.000 0.714 435 K HN 0.123 8.373 8.250 -0.000 0.000 0.440 436 M N 0.455 119.953 119.600 -0.170 0.000 2.080 436 M HA -0.163 4.320 4.480 0.005 0.000 0.260 436 M C 2.282 178.595 176.300 0.021 0.000 1.068 436 M CA 1.805 57.114 55.300 0.015 0.000 1.109 436 M CB -0.757 31.905 32.600 0.103 0.000 1.342 436 M HN 0.238 8.528 8.290 -0.000 0.000 0.405 437 M N -0.766 118.834 119.600 -0.001 0.000 2.132 437 M HA -0.149 4.334 4.480 0.005 0.000 0.263 437 M C 2.225 178.526 176.300 0.002 0.000 1.065 437 M CA 1.136 56.438 55.300 0.004 0.000 1.122 437 M CB -0.639 31.957 32.600 -0.006 0.000 1.365 437 M HN 0.039 8.329 8.290 -0.000 0.000 0.411 438 V N -0.173 119.733 119.914 -0.013 0.000 2.343 438 V HA -0.288 3.835 4.120 0.005 0.000 0.247 438 V C 2.368 178.470 176.094 0.013 0.000 1.051 438 V CA 1.681 63.978 62.300 -0.005 0.000 1.036 438 V CB -0.636 31.180 31.823 -0.012 0.000 0.654 438 V HN 0.600 8.790 8.190 -0.000 0.000 0.451 439 C N -0.802 118.515 119.300 0.029 0.000 2.457 439 C HA -0.148 4.316 4.460 0.005 0.000 0.278 439 C C 2.797 177.821 174.990 0.057 0.000 1.309 439 C CA 1.160 60.217 59.018 0.065 0.000 1.735 439 C CB -0.918 26.901 27.740 0.133 0.000 1.992 439 C HN 0.660 8.890 8.230 -0.000 0.000 0.493 440 Q N 1.030 120.860 119.800 0.049 0.000 2.135 440 Q HA -0.161 4.182 4.340 0.005 0.000 0.204 440 Q C 1.684 177.702 176.000 0.030 0.000 0.981 440 Q CA 2.023 57.851 55.803 0.042 0.000 0.856 440 Q CB 0.034 28.795 28.738 0.037 0.000 0.902 440 Q HN 0.654 8.924 8.270 -0.000 0.000 0.425 441 V N -3.000 116.926 119.914 0.020 0.000 3.331 441 V HA 0.453 4.576 4.120 0.005 0.000 0.332 441 V C 0.763 176.860 176.094 0.005 0.000 1.341 441 V CA 0.429 62.735 62.300 0.011 0.000 1.218 441 V CB -0.335 31.490 31.823 0.004 0.000 1.152 441 V HN 0.392 8.582 8.190 -0.000 0.000 0.445 442 G N -0.164 108.642 108.800 0.010 0.000 2.160 442 G HA2 -0.205 3.758 3.960 0.005 0.000 0.244 442 G HA3 -0.205 3.758 3.960 0.005 0.000 0.244 442 G C 0.915 175.796 174.900 -0.031 0.000 1.022 442 G CA 0.270 45.363 45.100 -0.011 0.000 0.741 442 G HN 1.169 9.459 8.290 -0.000 0.000 0.508 443 G N 0.189 108.984 108.800 -0.008 0.000 2.422 443 G HA2 -0.063 3.900 3.960 0.005 0.000 0.218 443 G HA3 -0.063 3.900 3.960 0.005 0.000 0.218 443 G C 1.733 176.623 174.900 -0.016 0.000 1.146 443 G CA 1.380 46.473 45.100 -0.010 0.000 0.769 443 G HN 0.491 8.781 8.290 -0.000 0.000 0.547 444 I N 0.988 121.557 120.570 -0.001 0.000 2.179 444 I HA -0.137 4.036 4.170 0.005 0.000 0.242 444 I C 2.501 178.580 176.117 -0.062 0.000 1.088 444 I CA 1.409 62.716 61.300 0.012 0.000 1.357 444 I CB -1.144 36.903 38.000 0.078 0.000 1.051 444 I HN 0.361 8.571 8.210 -0.000 0.000 0.409 445 E N 0.995 121.060 120.200 -0.226 0.000 2.058 445 E HA -0.218 4.135 4.350 0.005 0.000 0.194 445 E C 2.291 178.774 176.600 -0.196 0.000 0.997 445 E CA 1.528 57.646 56.400 -0.469 0.000 0.801 445 E CB 0.072 29.293 29.700 -0.799 0.000 0.746 445 E HN 0.432 8.792 8.360 -0.000 0.000 0.450 446 A N 0.932 123.677 122.820 -0.124 0.000 1.902 446 A HA -0.152 4.171 4.320 0.005 0.000 0.217 446 A C 2.202 179.764 177.584 -0.037 0.000 1.181 446 A CA 1.116 53.114 52.037 -0.065 0.000 0.623 446 A CB -0.611 18.361 19.000 -0.046 0.000 0.818 446 A HN 0.301 8.451 8.150 -0.000 0.000 0.443 447 L N -0.671 120.536 121.223 -0.028 0.000 2.093 447 L HA -0.135 4.208 4.340 0.005 0.000 0.208 447 L C 2.520 179.391 176.870 0.002 0.000 1.085 447 L CA 0.861 55.696 54.840 -0.009 0.000 0.755 447 L CB -0.441 41.617 42.059 -0.002 0.000 0.904 447 L HN 0.245 8.475 8.230 -0.000 0.000 0.435 448 V N -0.164 119.754 119.914 0.005 0.000 2.343 448 V HA -0.288 3.835 4.120 0.005 0.000 0.247 448 V C 2.606 178.719 176.094 0.031 0.000 1.051 448 V CA 1.738 64.058 62.300 0.034 0.000 1.036 448 V CB -0.596 31.270 31.823 0.070 0.000 0.654 448 V HN 0.406 8.596 8.190 -0.000 0.000 0.451 449 R N -0.383 120.123 120.500 0.010 0.000 2.081 449 R HA -0.147 4.196 4.340 0.005 0.000 0.235 449 R C 2.439 178.743 176.300 0.008 0.000 1.131 449 R CA 1.955 58.061 56.100 0.009 0.000 0.960 449 R CB -0.763 29.532 30.300 -0.009 0.000 0.856 449 R HN 0.480 8.750 8.270 -0.000 0.000 0.436 450 T N 0.652 115.208 114.554 0.003 0.000 2.720 450 T HA -0.121 4.232 4.350 0.005 0.000 0.268 450 T C 1.938 176.645 174.700 0.012 0.000 1.037 450 T CA 1.414 63.517 62.100 0.005 0.000 1.144 450 T CB -0.152 68.717 68.868 0.002 0.000 0.864 450 T HN 0.007 8.247 8.240 -0.000 0.000 0.444 451 V N 1.219 121.143 119.914 0.017 0.000 2.358 451 V HA -0.103 4.020 4.120 0.005 0.000 0.246 451 V C 2.466 178.575 176.094 0.025 0.000 1.047 451 V CA 1.364 63.678 62.300 0.022 0.000 1.035 451 V CB -0.657 31.183 31.823 0.028 0.000 0.658 451 V HN 0.415 8.605 8.190 -0.000 0.000 0.452 452 L N -0.444 120.796 121.223 0.028 0.000 1.989 452 L HA -0.227 4.116 4.340 0.005 0.000 0.211 452 L C 2.813 179.693 176.870 0.017 0.000 1.071 452 L CA 1.955 56.811 54.840 0.027 0.000 0.749 452 L CB -0.566 41.510 42.059 0.029 0.000 0.890 452 L HN 0.228 8.458 8.230 -0.000 0.000 0.431 453 R N -0.454 120.053 120.500 0.012 0.000 2.115 453 R HA -0.093 4.250 4.340 0.005 0.000 0.230 453 R C 2.339 178.645 176.300 0.010 0.000 1.111 453 R CA 1.104 57.209 56.100 0.008 0.000 0.976 453 R CB -0.469 29.833 30.300 0.004 0.000 0.870 453 R HN 0.364 8.634 8.270 -0.000 0.000 0.445 454 A N 0.898 123.725 122.820 0.013 0.000 2.019 454 A HA 0.029 4.352 4.320 0.005 0.000 0.219 454 A C 1.594 179.188 177.584 0.016 0.000 1.164 454 A CA 1.447 53.493 52.037 0.015 0.000 0.644 454 A CB -0.746 18.264 19.000 0.017 0.000 0.805 454 A HN 0.496 8.646 8.150 -0.000 0.000 0.449 455 G N 0.457 109.267 108.800 0.017 0.000 2.602 455 G HA2 -0.469 3.494 3.960 0.005 0.000 0.310 455 G HA3 -0.469 3.494 3.960 0.005 0.000 0.310 455 G C 0.423 175.336 174.900 0.023 0.000 1.183 455 G CA 1.230 46.341 45.100 0.018 0.000 0.979 455 G HN 1.073 9.363 8.290 -0.000 0.000 0.545 456 D N 0.745 121.159 120.400 0.023 0.000 2.342 456 D HA 0.219 4.862 4.640 0.005 0.000 0.221 456 D C 1.177 177.494 176.300 0.028 0.000 1.101 456 D CA 0.000 54.018 54.000 0.029 0.000 0.837 456 D CB -0.086 40.733 40.800 0.031 0.000 0.938 456 D HN 0.555 8.925 8.370 -0.000 0.000 0.508 457 R N 1.179 121.691 120.500 0.021 0.000 2.441 457 R HA 0.141 4.484 4.340 0.005 0.000 0.300 457 R C 0.432 176.742 176.300 0.016 0.000 1.284 457 R CA 0.011 56.121 56.100 0.016 0.000 1.069 457 R CB 0.272 30.581 30.300 0.016 0.000 1.087 457 R HN 0.310 8.580 8.270 -0.000 0.000 0.519 458 E N 1.408 121.614 120.200 0.011 0.000 2.338 458 E HA -0.183 4.170 4.350 0.005 0.000 0.197 458 E C 0.951 177.556 176.600 0.007 0.000 1.007 458 E CA 0.952 57.358 56.400 0.010 0.000 0.849 458 E CB 0.182 29.883 29.700 0.001 0.000 0.774 458 E HN 0.628 8.988 8.360 -0.000 0.000 0.506 459 D N 0.521 120.923 120.400 0.004 0.000 2.310 459 D HA -0.137 4.506 4.640 0.005 0.000 0.212 459 D C 1.678 177.991 176.300 0.023 0.000 0.965 459 D CA 0.754 54.762 54.000 0.013 0.000 0.879 459 D CB 0.020 40.829 40.800 0.016 0.000 0.921 459 D HN 0.310 8.680 8.370 -0.000 0.000 0.510 460 I N 0.706 121.288 120.570 0.021 0.000 3.136 460 I HA -0.123 4.050 4.170 0.005 0.000 0.262 460 I C 2.515 178.643 176.117 0.018 0.000 1.132 460 I CA 1.015 62.327 61.300 0.021 0.000 1.450 460 I CB -0.198 37.813 38.000 0.019 0.000 1.315 460 I HN 0.008 8.218 8.210 -0.000 0.000 0.460 461 T N -1.346 113.220 114.554 0.019 0.000 2.788 461 T HA -0.220 4.133 4.350 0.005 0.000 0.268 461 T C 1.637 176.348 174.700 0.018 0.000 1.044 461 T CA 1.508 63.620 62.100 0.019 0.000 1.139 461 T CB -0.377 68.506 68.868 0.025 0.000 0.867 461 T HN 0.334 8.574 8.240 -0.000 0.000 0.454 462 E N 1.998 122.211 120.200 0.021 0.000 2.031 462 E HA -0.096 4.257 4.350 0.005 0.000 0.193 462 E C -0.282 176.324 176.600 0.010 0.000 0.994 462 E CA 1.375 57.789 56.400 0.023 0.000 0.800 462 E CB -0.534 29.185 29.700 0.032 0.000 0.752 462 E HN 0.470 8.830 8.360 -0.000 0.000 0.447 463 P HA -0.094 4.326 4.420 -0.000 0.000 0.219 463 P C 1.034 178.322 177.300 -0.021 0.000 1.150 463 P CA 1.628 64.730 63.100 0.003 0.000 0.814 463 P CB 0.030 31.743 31.700 0.022 0.000 0.787 464 A N 0.433 123.247 122.820 -0.009 0.000 1.898 464 A HA -0.129 4.194 4.320 0.005 0.000 0.216 464 A C 2.287 179.852 177.584 -0.031 0.000 1.181 464 A CA 1.294 53.323 52.037 -0.014 0.000 0.620 464 A CB -1.315 17.685 19.000 0.000 0.000 0.819 464 A HN 0.028 8.178 8.150 -0.000 0.000 0.442 465 I N -0.137 120.418 120.570 -0.025 0.000 2.252 465 I HA -0.231 3.942 4.170 0.005 0.000 0.245 465 I C 2.564 178.629 176.117 -0.087 0.000 1.102 465 I CA 0.997 62.280 61.300 -0.028 0.000 1.385 465 I CB -1.577 36.423 38.000 -0.000 0.000 1.064 465 I HN 0.367 8.577 8.210 -0.000 0.000 0.414 466 C N 0.875 120.098 119.300 -0.129 0.000 2.429 466 C HA -0.103 4.360 4.460 0.005 0.000 0.277 466 C C 3.158 177.770 174.990 -0.631 0.000 1.262 466 C CA 0.859 59.693 59.018 -0.308 0.000 1.733 466 C CB -1.230 26.384 27.740 -0.209 0.000 2.010 466 C HN 0.589 8.819 8.230 -0.000 0.000 0.483 467 A N 0.418 123.035 122.820 -0.339 0.000 1.877 467 A HA -0.128 4.195 4.320 0.005 0.000 0.216 467 A C 2.120 179.624 177.584 -0.134 0.000 1.186 467 A CA 1.527 53.431 52.037 -0.221 0.000 0.620 467 A CB -0.666 18.299 19.000 -0.059 0.000 0.822 467 A HN 0.606 8.756 8.150 -0.000 0.000 0.443 468 L N -1.034 120.137 121.223 -0.086 0.000 2.046 468 L HA -0.214 4.129 4.340 0.005 0.000 0.208 468 L C 2.795 179.665 176.870 -0.000 0.000 1.077 468 L CA 1.867 56.698 54.840 -0.015 0.000 0.747 468 L CB -0.428 41.632 42.059 0.001 0.000 0.896 468 L HN 0.535 8.765 8.230 -0.000 0.000 0.432 469 R N -0.428 120.037 120.500 -0.058 0.000 2.081 469 R HA -0.183 4.160 4.340 0.005 0.000 0.235 469 R C 2.204 178.574 176.300 0.117 0.000 1.131 469 R CA 1.718 57.825 56.100 0.011 0.000 0.960 469 R CB -0.387 29.909 30.300 -0.007 0.000 0.856 469 R HN 0.464 8.734 8.270 -0.000 0.000 0.436 470 H N -0.211 118.898 119.070 0.065 0.000 2.387 470 H HA -0.072 4.488 4.556 0.007 0.000 0.299 470 H C 1.934 177.317 175.328 0.092 0.000 1.090 470 H CA 1.349 57.437 56.048 0.066 0.000 1.332 470 H CB 0.015 29.801 29.762 0.040 0.000 1.386 470 H HN 0.192 8.472 8.280 -0.000 0.000 0.516 471 L N 0.656 121.999 121.223 0.200 0.000 2.478 471 L HA -0.047 4.296 4.340 0.005 0.000 0.223 471 L C 1.522 178.573 176.870 0.302 0.000 1.140 471 L CA 0.931 55.892 54.840 0.202 0.000 0.842 471 L CB -0.019 42.114 42.059 0.123 0.000 0.953 471 L HN 0.368 8.598 8.230 -0.000 0.000 0.452 472 T N -4.759 109.913 114.554 0.196 0.000 3.223 472 T HA 0.225 4.578 4.350 0.005 0.000 0.259 472 T C 0.314 175.081 174.700 0.111 0.000 1.015 472 T CA -0.261 61.918 62.100 0.133 0.000 0.908 472 T CB 0.259 69.178 68.868 0.085 0.000 1.054 472 T HN 0.083 8.323 8.240 -0.000 0.000 0.567 473 S N 1.053 116.861 115.700 0.180 0.000 2.537 473 S HA 0.463 4.936 4.470 0.005 0.000 0.270 473 S C -0.716 174.003 174.600 0.198 0.000 1.142 473 S CA -0.859 57.425 58.200 0.139 0.000 0.870 473 S CB 0.946 64.222 63.200 0.127 0.000 1.112 473 S HN 0.435 8.745 8.310 -0.000 0.000 0.466 474 R N 2.817 123.384 120.500 0.112 0.000 3.251 474 R HA -0.157 4.186 4.340 0.005 0.000 0.249 474 R C -0.231 176.194 176.300 0.209 0.000 0.949 474 R CA 1.544 57.716 56.100 0.119 0.000 0.645 474 R CB -2.582 27.787 30.300 0.115 0.000 1.065 474 R HN 0.905 9.175 8.270 -0.000 0.000 0.452 475 H N -2.865 116.228 119.070 0.040 0.000 3.024 475 H HA 0.066 4.625 4.556 0.005 0.000 0.324 475 H C 0.053 175.388 175.328 0.011 0.000 1.347 475 H CA -0.700 55.371 56.048 0.039 0.000 1.182 475 H CB 0.955 30.781 29.762 0.106 0.000 1.889 475 H HN 0.055 8.335 8.280 -0.000 0.000 0.528 476 Q N -0.205 119.603 119.800 0.013 0.000 2.268 476 Q HA -0.157 4.186 4.340 0.005 0.000 0.210 476 Q C 0.262 176.181 176.000 -0.135 0.000 0.988 476 Q CA 2.100 57.871 55.803 -0.054 0.000 0.883 476 Q CB 0.268 29.017 28.738 0.017 0.000 0.911 476 Q HN 0.529 8.799 8.270 -0.000 0.000 0.430 477 E N -1.319 118.740 120.200 -0.236 0.000 2.501 477 E HA 0.127 4.480 4.350 0.005 0.000 0.200 477 E C 1.064 177.401 176.600 -0.439 0.000 1.016 477 E CA 0.468 56.755 56.400 -0.189 0.000 0.921 477 E CB 0.610 30.418 29.700 0.178 0.000 1.034 477 E HN 0.384 8.744 8.360 -0.000 0.000 0.468 478 A N 1.346 123.630 122.820 -0.892 0.000 1.908 478 A HA -0.230 4.093 4.320 0.005 0.000 0.218 478 A C 2.043 179.530 177.584 -0.161 0.000 1.181 478 A CA 1.453 53.211 52.037 -0.466 0.000 0.627 478 A CB -0.259 18.541 19.000 -0.333 0.000 0.818 478 A HN 0.192 8.342 8.150 -0.000 0.000 0.445 479 E N -1.081 119.031 120.200 -0.146 0.000 2.077 479 E HA -0.219 4.134 4.350 0.005 0.000 0.193 479 E C 2.063 178.632 176.600 -0.052 0.000 0.989 479 E CA 1.424 57.776 56.400 -0.079 0.000 0.800 479 E CB -0.257 29.398 29.700 -0.074 0.000 0.746 479 E HN 0.726 9.086 8.360 -0.000 0.000 0.452 480 M N 0.528 120.100 119.600 -0.046 0.000 2.117 480 M HA -0.173 4.311 4.480 0.005 0.000 0.262 480 M C 2.262 178.571 176.300 0.016 0.000 1.065 480 M CA 1.695 56.988 55.300 -0.011 0.000 1.114 480 M CB -0.034 32.571 32.600 0.007 0.000 1.361 480 M HN 0.143 8.433 8.290 -0.000 0.000 0.408 481 A N 0.009 122.848 122.820 0.032 0.000 1.902 481 A HA -0.234 4.089 4.320 0.005 0.000 0.217 481 A C 1.866 179.480 177.584 0.051 0.000 1.181 481 A CA 1.857 53.938 52.037 0.073 0.000 0.623 481 A CB -0.795 18.280 19.000 0.126 0.000 0.818 481 A HN 0.696 8.846 8.150 -0.000 0.000 0.443 482 Q N -0.371 119.442 119.800 0.022 0.000 2.096 482 Q HA -0.161 4.182 4.340 0.005 0.000 0.204 482 Q C 1.962 177.961 176.000 -0.002 0.000 0.982 482 Q CA 1.554 57.365 55.803 0.013 0.000 0.850 482 Q CB -0.191 28.544 28.738 -0.005 0.000 0.901 482 Q HN 0.633 8.903 8.270 -0.000 0.000 0.422 483 N N -0.125 118.565 118.700 -0.017 0.000 2.216 483 N HA -0.063 4.680 4.740 0.005 0.000 0.183 483 N C 1.642 177.126 175.510 -0.044 0.000 1.017 483 N CA 1.083 54.108 53.050 -0.041 0.000 0.861 483 N CB -0.048 38.408 38.487 -0.051 0.000 0.986 483 N HN 0.215 8.595 8.380 -0.000 0.000 0.428 484 A N 0.905 123.727 122.820 0.002 0.000 1.902 484 A HA -0.090 4.233 4.320 0.005 0.000 0.217 484 A C 2.475 180.118 177.584 0.098 0.000 1.181 484 A CA 1.161 53.228 52.037 0.049 0.000 0.623 484 A CB -0.771 18.324 19.000 0.159 0.000 0.818 484 A HN 0.101 8.251 8.150 -0.000 0.000 0.443 485 V N -0.007 119.959 119.914 0.085 0.000 2.392 485 V HA -0.278 3.845 4.120 0.005 0.000 0.249 485 V C 2.656 178.770 176.094 0.034 0.000 1.059 485 V CA 2.401 64.754 62.300 0.088 0.000 1.051 485 V CB -0.797 31.063 31.823 0.062 0.000 0.658 485 V HN 0.679 8.869 8.190 -0.000 0.000 0.455 486 R N -0.250 120.230 120.500 -0.035 0.000 2.062 486 R HA -0.030 4.313 4.340 0.005 0.000 0.226 486 R C 2.292 178.451 176.300 -0.234 0.000 1.125 486 R CA 1.209 57.250 56.100 -0.100 0.000 0.966 486 R CB -0.213 30.029 30.300 -0.097 0.000 0.861 486 R HN 0.436 8.706 8.270 -0.000 0.000 0.433 487 L N 0.157 121.212 121.223 -0.280 0.000 2.187 487 L HA -0.167 4.176 4.340 0.005 0.000 0.213 487 L C 1.347 177.873 176.870 -0.575 0.000 1.100 487 L CA 0.921 55.487 54.840 -0.456 0.000 0.765 487 L CB -0.389 41.401 42.059 -0.448 0.000 0.904 487 L HN 0.334 8.564 8.230 -0.000 0.000 0.437 488 H N -1.161 117.844 119.070 -0.107 0.000 2.537 488 H HA 0.089 4.648 4.556 0.005 0.000 0.295 488 H C -0.223 175.253 175.328 0.246 0.000 1.054 488 H CA -0.337 55.768 56.048 0.095 0.000 1.156 488 H CB -0.141 29.677 29.762 0.092 0.000 1.468 488 H HN 0.257 8.537 8.280 -0.000 0.000 0.551 489 Y N -0.700 119.640 120.300 0.066 0.000 3.589 489 Y HA -0.248 4.305 4.550 0.005 0.000 0.218 489 Y C 1.816 177.749 175.900 0.056 0.000 1.234 489 Y CA 0.558 58.687 58.100 0.049 0.000 1.576 489 Y CB -1.851 36.636 38.460 0.044 0.000 1.487 489 Y HN 0.392 8.672 8.280 -0.000 0.000 0.616 490 G N -0.701 108.183 108.800 0.140 0.000 2.838 490 G HA2 0.073 4.036 3.960 0.005 0.000 0.210 490 G HA3 0.073 4.036 3.960 0.005 0.000 0.210 490 G C 1.403 176.351 174.900 0.079 0.000 1.153 490 G CA 0.477 45.644 45.100 0.112 0.000 0.778 490 G HN 0.453 8.743 8.290 -0.000 0.000 0.539 491 L N 0.658 121.916 121.223 0.060 0.000 2.046 491 L HA -0.048 4.295 4.340 0.005 0.000 0.208 491 L C 0.013 176.920 176.870 0.062 0.000 1.077 491 L CA 1.240 56.111 54.840 0.051 0.000 0.747 491 L CB -1.212 40.867 42.059 0.032 0.000 0.896 491 L HN 0.138 8.368 8.230 -0.000 0.000 0.432 492 P HA -0.152 4.268 4.420 -0.000 0.000 0.215 492 P C 1.908 179.247 177.300 0.066 0.000 1.153 492 P CA 1.544 64.684 63.100 0.067 0.000 0.853 492 P CB -0.089 31.654 31.700 0.073 0.000 0.788 493 V N -3.383 116.572 119.914 0.068 0.000 2.453 493 V HA -0.146 3.977 4.120 0.005 0.000 0.247 493 V C 2.098 178.230 176.094 0.063 0.000 1.048 493 V CA 1.579 63.916 62.300 0.061 0.000 1.049 493 V CB -1.718 30.140 31.823 0.059 0.000 0.672 493 V HN -0.075 8.115 8.190 -0.000 0.000 0.457 494 V N 0.458 120.410 119.914 0.062 0.000 2.295 494 V HA -0.205 3.918 4.120 0.005 0.000 0.246 494 V C 2.721 178.854 176.094 0.064 0.000 1.049 494 V CA 2.261 64.595 62.300 0.057 0.000 1.024 494 V CB -0.510 31.345 31.823 0.053 0.000 0.648 494 V HN 0.471 8.661 8.190 -0.000 0.000 0.447 495 V N -0.097 119.861 119.914 0.075 0.000 2.407 495 V HA -0.273 3.850 4.120 0.005 0.000 0.248 495 V C 2.407 178.593 176.094 0.154 0.000 1.055 495 V CA 2.198 64.555 62.300 0.095 0.000 1.049 495 V CB -0.711 31.172 31.823 0.100 0.000 0.662 495 V HN 0.567 8.757 8.190 -0.000 0.000 0.455 496 K N 0.193 120.677 120.400 0.139 0.000 2.103 496 K HA -0.148 4.175 4.320 0.005 0.000 0.207 496 K C 1.968 178.680 176.600 0.186 0.000 1.048 496 K CA 1.449 57.837 56.287 0.169 0.000 0.930 496 K CB -0.220 32.326 32.500 0.076 0.000 0.716 496 K HN 0.421 8.671 8.250 -0.000 0.000 0.444 497 L N 1.230 122.514 121.223 0.102 0.000 2.549 497 L HA -0.121 4.222 4.340 0.005 0.000 0.230 497 L C 1.884 178.767 176.870 0.021 0.000 1.162 497 L CA 0.350 55.226 54.840 0.061 0.000 0.834 497 L CB -0.217 41.868 42.059 0.045 0.000 0.947 497 L HN 0.252 8.482 8.230 -0.000 0.000 0.452 498 L N -1.428 119.792 121.223 -0.005 0.000 2.395 498 L HA -0.054 4.290 4.340 0.005 0.000 0.218 498 L C 0.615 177.302 176.870 -0.306 0.000 1.130 498 L CA 0.218 54.958 54.840 -0.166 0.000 0.826 498 L CB -0.377 41.530 42.059 -0.254 0.000 0.941 498 L HN 0.328 8.558 8.230 -0.000 0.000 0.451 499 H N -1.633 117.406 119.070 -0.052 0.000 2.559 499 H HA 0.337 4.896 4.556 0.005 0.000 0.343 499 H C -2.157 173.112 175.328 -0.098 0.000 1.209 499 H CA -2.111 53.894 56.048 -0.073 0.000 1.287 499 H CB 0.042 29.777 29.762 -0.044 0.000 1.650 499 H HN -0.226 8.054 8.280 -0.000 0.000 0.567 500 P HA -0.028 4.392 4.420 -0.000 0.000 0.269 500 P C -1.757 175.536 177.300 -0.012 0.000 1.217 500 P CA -0.832 62.231 63.100 -0.061 0.000 0.783 500 P CB 0.305 31.965 31.700 -0.067 0.000 0.898 501 P HA 0.051 4.471 4.420 -0.000 0.000 0.255 501 P C -0.449 176.811 177.300 -0.066 0.000 1.301 501 P CA 0.239 63.305 63.100 -0.057 0.000 0.817 501 P CB 0.182 31.885 31.700 0.004 0.000 1.259 502 S N 0.782 116.450 115.700 -0.053 0.000 2.558 502 S HA 0.022 4.495 4.470 0.005 0.000 0.293 502 S C 0.334 174.846 174.600 -0.146 0.000 1.292 502 S CA 0.235 58.421 58.200 -0.022 0.000 1.063 502 S CB -0.151 63.023 63.200 -0.042 0.000 0.831 502 S HN 0.329 8.639 8.310 -0.000 0.000 0.499 503 H N 0.350 119.350 119.070 -0.117 0.000 2.499 503 H HA 0.240 4.799 4.556 0.005 0.000 0.352 503 H C 0.595 175.853 175.328 -0.117 0.000 1.237 503 H CA -0.718 55.246 56.048 -0.140 0.000 1.343 503 H CB 0.275 30.025 29.762 -0.020 0.000 1.578 503 H HN 0.778 9.058 8.280 -0.000 0.000 0.577 504 W N 0.646 122.026 121.300 0.134 0.000 2.318 504 W HA -0.136 4.527 4.660 0.005 0.000 0.313 504 W C -0.679 175.894 176.519 0.089 0.000 1.221 504 W CA 1.039 58.437 57.345 0.089 0.000 1.266 504 W CB -1.433 28.077 29.460 0.083 0.000 1.150 504 W HN 0.615 8.795 8.180 -0.000 0.000 0.496 505 P HA -0.229 4.191 4.420 -0.000 0.000 0.215 505 P C 1.707 179.106 177.300 0.165 0.000 1.157 505 P CA 1.480 64.710 63.100 0.217 0.000 0.868 505 P CB -0.306 31.491 31.700 0.161 0.000 0.788 506 L N -1.015 120.290 121.223 0.137 0.000 2.093 506 L HA -0.080 4.263 4.340 0.005 0.000 0.208 506 L C 2.105 179.027 176.870 0.087 0.000 1.085 506 L CA 1.641 56.536 54.840 0.091 0.000 0.755 506 L CB -1.107 40.995 42.059 0.071 0.000 0.904 506 L HN -0.114 8.116 8.230 -0.000 0.000 0.435 507 I N -0.374 120.253 120.570 0.095 0.000 2.226 507 I HA -0.309 3.864 4.170 0.005 0.000 0.245 507 I C 2.546 178.753 176.117 0.151 0.000 1.100 507 I CA 1.562 62.912 61.300 0.082 0.000 1.374 507 I CB -0.367 37.645 38.000 0.021 0.000 1.057 507 I HN 0.326 8.536 8.210 -0.000 0.000 0.413 508 K N 1.379 121.908 120.400 0.216 0.000 2.057 508 K HA -0.190 4.133 4.320 0.005 0.000 0.207 508 K C 2.189 178.862 176.600 0.122 0.000 1.049 508 K CA 1.578 57.974 56.287 0.182 0.000 0.931 508 K CB -0.115 32.496 32.500 0.185 0.000 0.714 508 K HN 0.280 8.530 8.250 -0.000 0.000 0.440 509 A N 0.340 123.223 122.820 0.105 0.000 1.898 509 A HA -0.117 4.206 4.320 0.005 0.000 0.216 509 A C 2.166 179.785 177.584 0.058 0.000 1.181 509 A CA 2.077 54.157 52.037 0.072 0.000 0.620 509 A CB -0.958 18.073 19.000 0.051 0.000 0.819 509 A HN 0.438 8.588 8.150 -0.000 0.000 0.442 510 T N -0.307 114.282 114.554 0.059 0.000 2.746 510 T HA -0.112 4.241 4.350 0.005 0.000 0.267 510 T C 1.874 176.605 174.700 0.052 0.000 1.039 510 T CA 1.549 63.678 62.100 0.048 0.000 1.142 510 T CB -0.400 68.492 68.868 0.039 0.000 0.866 510 T HN 0.151 8.391 8.240 -0.000 0.000 0.444 511 V N 1.422 121.375 119.914 0.065 0.000 2.343 511 V HA -0.114 4.009 4.120 0.005 0.000 0.247 511 V C 2.862 178.995 176.094 0.065 0.000 1.051 511 V CA 2.006 64.346 62.300 0.067 0.000 1.036 511 V CB -1.310 30.565 31.823 0.087 0.000 0.654 511 V HN 0.599 8.790 8.190 -0.000 0.000 0.451 512 G N -0.278 108.565 108.800 0.071 0.000 2.422 512 G HA2 -0.236 3.727 3.960 0.005 0.000 0.218 512 G HA3 -0.236 3.727 3.960 0.005 0.000 0.218 512 G C 1.563 176.501 174.900 0.063 0.000 1.146 512 G CA 1.078 46.221 45.100 0.071 0.000 0.769 512 G HN 0.449 8.739 8.290 -0.000 0.000 0.547 513 L N 0.745 122.000 121.223 0.054 0.000 2.056 513 L HA 0.160 4.503 4.340 0.005 0.000 0.207 513 L C 2.597 179.497 176.870 0.050 0.000 1.078 513 L CA 1.254 56.122 54.840 0.048 0.000 0.749 513 L CB -0.473 41.608 42.059 0.036 0.000 0.901 513 L HN 0.246 8.476 8.230 -0.000 0.000 0.433 514 I N -0.602 119.998 120.570 0.049 0.000 2.286 514 I HA -0.251 3.922 4.170 0.005 0.000 0.248 514 I C 2.661 178.807 176.117 0.049 0.000 1.115 514 I CA 0.870 62.200 61.300 0.049 0.000 1.392 514 I CB -0.469 37.559 38.000 0.048 0.000 1.065 514 I HN 0.328 8.538 8.210 -0.000 0.000 0.418 515 R N 1.416 121.945 120.500 0.048 0.000 2.081 515 R HA -0.172 4.171 4.340 0.005 0.000 0.235 515 R C 1.827 178.151 176.300 0.039 0.000 1.131 515 R CA 1.762 57.886 56.100 0.041 0.000 0.960 515 R CB -0.647 29.681 30.300 0.046 0.000 0.856 515 R HN 0.370 8.640 8.270 -0.000 0.000 0.436 516 N N 0.824 119.553 118.700 0.048 0.000 2.142 516 N HA -0.090 4.653 4.740 0.005 0.000 0.186 516 N C 1.930 177.465 175.510 0.042 0.000 1.023 516 N CA 1.002 54.080 53.050 0.047 0.000 0.852 516 N CB -0.347 38.176 38.487 0.060 0.000 0.998 516 N HN 0.226 8.606 8.380 -0.000 0.000 0.424 517 L N 0.441 121.692 121.223 0.046 0.000 2.131 517 L HA -0.051 4.292 4.340 0.005 0.000 0.210 517 L C 2.099 179.002 176.870 0.056 0.000 1.092 517 L CA 0.887 55.753 54.840 0.043 0.000 0.759 517 L CB -0.446 41.640 42.059 0.045 0.000 0.903 517 L HN 0.109 8.339 8.230 -0.000 0.000 0.435 518 A N -0.203 122.663 122.820 0.078 0.000 2.168 518 A HA -0.040 4.283 4.320 0.005 0.000 0.215 518 A C 2.178 179.864 177.584 0.170 0.000 1.152 518 A CA 0.761 52.886 52.037 0.146 0.000 0.716 518 A CB -0.495 18.555 19.000 0.084 0.000 0.794 518 A HN 0.388 8.538 8.150 -0.000 0.000 0.465 519 L N -1.011 120.257 121.223 0.074 0.000 2.275 519 L HA -0.083 4.260 4.340 0.005 0.000 0.215 519 L C 1.284 178.158 176.870 0.006 0.000 1.119 519 L CA 0.108 54.975 54.840 0.046 0.000 0.790 519 L CB -0.377 41.689 42.059 0.011 0.000 0.919 519 L HN 0.535 8.765 8.230 -0.000 0.000 0.443 520 C N 1.218 120.497 119.300 -0.034 0.000 2.281 520 C HA 0.280 4.743 4.460 0.005 0.000 0.336 520 C C -0.719 174.074 174.990 -0.328 0.000 1.217 520 C CA -1.820 57.125 59.018 -0.122 0.000 1.730 520 C CB 0.501 28.192 27.740 -0.082 0.000 2.338 520 C HN 0.100 8.330 8.230 -0.000 0.000 0.521 521 P HA -0.110 4.310 4.420 -0.000 0.000 0.217 521 P C 1.349 178.333 177.300 -0.527 0.000 1.148 521 P CA 1.968 64.555 63.100 -0.855 0.000 0.828 521 P CB 0.094 31.570 31.700 -0.373 0.000 0.783 522 A N -1.022 121.638 122.820 -0.267 0.000 2.216 522 A HA -0.122 4.201 4.320 0.005 0.000 0.214 522 A C 1.805 179.325 177.584 -0.108 0.000 1.160 522 A CA 1.295 53.243 52.037 -0.148 0.000 0.725 522 A CB -0.926 18.010 19.000 -0.107 0.000 0.784 522 A HN 0.142 8.292 8.150 -0.000 0.000 0.472 523 N N -1.066 117.561 118.700 -0.122 0.000 2.282 523 N HA 0.059 4.802 4.740 0.005 0.000 0.185 523 N C 1.104 176.670 175.510 0.093 0.000 1.099 523 N CA 0.336 53.377 53.050 -0.015 0.000 0.878 523 N CB -0.365 38.127 38.487 0.007 0.000 0.993 523 N HN 0.733 9.113 8.380 -0.000 0.000 0.481 524 H N 0.642 119.715 119.070 0.006 0.000 2.290 524 H HA -0.085 4.474 4.556 0.005 0.000 0.298 524 H C 1.891 177.235 175.328 0.027 0.000 1.087 524 H CA 1.483 57.541 56.048 0.018 0.000 1.291 524 H CB 0.273 30.049 29.762 0.023 0.000 1.369 524 H HN 0.215 8.495 8.280 -0.000 0.000 0.492 525 A N 1.313 124.229 122.820 0.161 0.000 1.855 525 A HA -0.083 4.240 4.320 0.005 0.000 0.215 525 A C -0.112 177.505 177.584 0.055 0.000 1.191 525 A CA 1.248 53.339 52.037 0.090 0.000 0.613 525 A CB -1.231 17.803 19.000 0.057 0.000 0.829 525 A HN 0.354 8.504 8.150 -0.000 0.000 0.442 526 P HA -0.136 4.284 4.420 -0.000 0.000 0.218 526 P C 1.617 178.942 177.300 0.041 0.000 1.149 526 P CA 0.914 64.031 63.100 0.028 0.000 0.817 526 P CB -0.164 31.541 31.700 0.009 0.000 0.785 527 L N -0.508 120.749 121.223 0.057 0.000 2.046 527 L HA -0.117 4.226 4.340 0.005 0.000 0.208 527 L C 3.192 180.096 176.870 0.057 0.000 1.077 527 L CA 1.451 56.327 54.840 0.060 0.000 0.747 527 L CB -0.660 41.443 42.059 0.073 0.000 0.896 527 L HN -0.082 8.148 8.230 -0.000 0.000 0.432 528 R N 0.660 121.195 120.500 0.058 0.000 2.080 528 R HA -0.209 4.134 4.340 0.005 0.000 0.236 528 R C 2.011 178.336 176.300 0.041 0.000 1.137 528 R CA 1.893 58.023 56.100 0.050 0.000 0.943 528 R CB -0.187 30.145 30.300 0.053 0.000 0.846 528 R HN 0.385 8.655 8.270 -0.000 0.000 0.431 529 E N -0.075 120.145 120.200 0.034 0.000 2.331 529 E HA -0.177 4.176 4.350 0.005 0.000 0.199 529 E C 1.662 178.280 176.600 0.030 0.000 1.008 529 E CA 0.602 57.017 56.400 0.024 0.000 0.843 529 E CB 0.109 29.819 29.700 0.016 0.000 0.761 529 E HN 0.371 8.731 8.360 -0.000 0.000 0.507 530 Q N -0.596 119.229 119.800 0.041 0.000 2.403 530 Q HA 0.057 4.400 4.340 0.005 0.000 0.203 530 Q C 1.070 177.109 176.000 0.064 0.000 0.932 530 Q CA 0.683 56.516 55.803 0.049 0.000 0.945 530 Q CB 0.991 29.764 28.738 0.057 0.000 1.045 530 Q HN 0.417 8.687 8.270 -0.000 0.000 0.511 531 G N 0.436 109.272 108.800 0.060 0.000 2.147 531 G HA2 -0.351 3.612 3.960 0.005 0.000 0.244 531 G HA3 -0.351 3.612 3.960 0.005 0.000 0.244 531 G C 0.986 175.941 174.900 0.093 0.000 1.005 531 G CA 0.620 45.764 45.100 0.074 0.000 0.713 531 G HN 0.470 8.760 8.290 -0.000 0.000 0.515 532 A N -0.149 122.718 122.820 0.078 0.000 1.933 532 A HA 0.161 4.484 4.320 0.005 0.000 0.218 532 A C 2.394 180.008 177.584 0.051 0.000 1.175 532 A CA 1.820 53.897 52.037 0.065 0.000 0.628 532 A CB -0.297 18.738 19.000 0.057 0.000 0.814 532 A HN 0.812 8.962 8.150 -0.000 0.000 0.444 533 I N -0.174 120.427 120.570 0.052 0.000 2.179 533 I HA -0.175 3.998 4.170 0.005 0.000 0.242 533 I C -0.552 175.593 176.117 0.047 0.000 1.088 533 I CA 1.449 62.779 61.300 0.050 0.000 1.357 533 I CB -1.355 36.674 38.000 0.049 0.000 1.051 533 I HN 0.204 8.414 8.210 -0.000 0.000 0.409 534 P HA -0.150 4.270 4.420 -0.000 0.000 0.217 534 P C 1.508 178.830 177.300 0.036 0.000 1.150 534 P CA 1.171 64.295 63.100 0.040 0.000 0.832 534 P CB -0.021 31.707 31.700 0.046 0.000 0.787 535 R N 0.188 120.710 120.500 0.037 0.000 2.075 535 R HA -0.033 4.310 4.340 0.005 0.000 0.232 535 R C 2.137 178.427 176.300 -0.017 0.000 1.126 535 R CA 1.514 57.605 56.100 -0.015 0.000 0.963 535 R CB -1.673 28.564 30.300 -0.104 0.000 0.858 535 R HN 0.124 8.394 8.270 -0.000 0.000 0.435 536 L N -0.417 120.812 121.223 0.009 0.000 2.046 536 L HA -0.155 4.188 4.340 0.005 0.000 0.208 536 L C 2.277 179.178 176.870 0.052 0.000 1.077 536 L CA 1.114 55.975 54.840 0.035 0.000 0.747 536 L CB -0.437 41.653 42.059 0.052 0.000 0.896 536 L HN 0.041 8.271 8.230 -0.000 0.000 0.432 537 V N -0.392 119.548 119.914 0.043 0.000 2.358 537 V HA -0.321 3.802 4.120 0.005 0.000 0.246 537 V C 2.450 178.556 176.094 0.020 0.000 1.047 537 V CA 1.941 64.257 62.300 0.027 0.000 1.035 537 V CB -0.501 31.325 31.823 0.003 0.000 0.658 537 V HN 0.540 8.730 8.190 -0.000 0.000 0.452 538 Q N -0.256 119.559 119.800 0.023 0.000 2.050 538 Q HA -0.200 4.143 4.340 0.005 0.000 0.202 538 Q C 2.278 178.312 176.000 0.057 0.000 0.980 538 Q CA 1.857 57.678 55.803 0.030 0.000 0.840 538 Q CB -0.171 28.581 28.738 0.025 0.000 0.898 538 Q HN 0.600 8.870 8.270 -0.000 0.000 0.424 539 L N 0.387 121.650 121.223 0.067 0.000 2.046 539 L HA -0.209 4.134 4.340 0.005 0.000 0.208 539 L C 2.525 179.476 176.870 0.136 0.000 1.077 539 L CA 0.678 55.598 54.840 0.133 0.000 0.747 539 L CB -0.509 41.633 42.059 0.137 0.000 0.896 539 L HN 0.360 8.590 8.230 -0.000 0.000 0.432 540 L N -0.565 120.716 121.223 0.096 0.000 2.017 540 L HA -0.158 4.185 4.340 0.005 0.000 0.208 540 L C 2.364 179.285 176.870 0.085 0.000 1.073 540 L CA 1.724 56.615 54.840 0.086 0.000 0.745 540 L CB -0.493 41.611 42.059 0.076 0.000 0.894 540 L HN -0.082 8.148 8.230 -0.000 0.000 0.432 541 V N 0.164 120.115 119.914 0.061 0.000 2.295 541 V HA -0.246 3.877 4.120 0.005 0.000 0.246 541 V C 2.865 179.015 176.094 0.093 0.000 1.049 541 V CA 1.813 64.154 62.300 0.068 0.000 1.024 541 V CB -0.801 31.038 31.823 0.026 0.000 0.648 541 V HN 0.441 8.631 8.190 -0.000 0.000 0.447 542 R N 0.429 120.981 120.500 0.086 0.000 2.081 542 R HA -0.037 4.306 4.340 0.005 0.000 0.235 542 R C 2.364 178.705 176.300 0.069 0.000 1.131 542 R CA 1.606 57.757 56.100 0.085 0.000 0.960 542 R CB -1.387 28.985 30.300 0.119 0.000 0.856 542 R HN 0.537 8.807 8.270 -0.000 0.000 0.436 543 A N 0.398 123.264 122.820 0.077 0.000 1.933 543 A HA -0.210 4.113 4.320 0.005 0.000 0.218 543 A C 2.097 179.690 177.584 0.016 0.000 1.175 543 A CA 1.850 53.886 52.037 -0.002 0.000 0.628 543 A CB -0.659 18.325 19.000 -0.026 0.000 0.814 543 A HN 0.448 8.598 8.150 -0.000 0.000 0.444 544 H N -0.088 118.968 119.070 -0.024 0.000 2.326 544 H HA -0.085 4.474 4.556 0.005 0.000 0.301 544 H C 2.087 177.398 175.328 -0.029 0.000 1.081 544 H CA 2.188 58.221 56.048 -0.024 0.000 1.334 544 H CB -0.267 29.489 29.762 -0.009 0.000 1.385 544 H HN 0.580 8.860 8.280 -0.000 0.000 0.504 545 Q N -0.169 119.558 119.800 -0.121 0.000 2.135 545 Q HA -0.145 4.198 4.340 0.005 0.000 0.204 545 Q C 1.677 177.586 176.000 -0.151 0.000 0.981 545 Q CA 1.467 57.169 55.803 -0.169 0.000 0.856 545 Q CB 0.074 28.779 28.738 -0.055 0.000 0.902 545 Q HN 0.570 8.840 8.270 -0.000 0.000 0.425 546 D N -0.056 120.283 120.400 -0.101 0.000 2.178 546 D HA -0.131 4.512 4.640 0.005 0.000 0.201 546 D C 2.065 178.289 176.300 -0.125 0.000 0.980 546 D CA 1.853 55.795 54.000 -0.096 0.000 0.842 546 D CB -0.356 40.391 40.800 -0.088 0.000 0.948 546 D HN 0.412 8.782 8.370 -0.000 0.000 0.472 547 T N -1.949 112.514 114.554 -0.151 0.000 3.055 547 T HA -0.063 4.290 4.350 0.005 0.000 0.265 547 T C 1.608 176.213 174.700 -0.159 0.000 1.111 547 T CA 0.601 62.615 62.100 -0.143 0.000 1.118 547 T CB 0.111 68.916 68.868 -0.106 0.000 0.909 547 T HN -0.051 8.189 8.240 -0.000 0.000 0.501 548 Q N 1.155 120.824 119.800 -0.219 0.000 2.250 548 Q HA 0.189 4.532 4.340 0.005 0.000 0.200 548 Q C 1.520 177.445 176.000 -0.126 0.000 0.941 548 Q CA 0.484 56.171 55.803 -0.194 0.000 0.872 548 Q CB 0.050 28.622 28.738 -0.276 0.000 0.965 548 Q HN 0.808 9.078 8.270 -0.000 0.000 0.480 560 F N 2.524 122.446 119.950 -0.048 0.000 2.420 560 F HA 0.476 5.006 4.527 0.005 0.000 0.352 560 F C -0.317 175.457 175.800 -0.044 0.000 1.108 560 F CA -0.278 57.693 58.000 -0.049 0.000 1.162 560 F CB 1.740 40.727 39.000 -0.022 0.000 1.118 560 F HN -0.002 8.298 8.300 -0.000 0.000 0.510 561 V N 3.474 123.451 119.914 0.105 0.000 2.349 561 V HA 0.232 4.355 4.120 0.005 0.000 0.284 561 V C 0.005 176.197 176.094 0.163 0.000 1.014 561 V CA -1.057 61.286 62.300 0.071 0.000 0.826 561 V CB 0.886 32.645 31.823 -0.106 0.000 1.009 561 V HN 0.868 9.058 8.190 -0.000 0.000 0.431 562 E N 3.430 123.753 120.200 0.205 0.000 2.883 562 E HA -0.284 4.069 4.350 0.005 0.000 0.271 562 E C 1.232 177.940 176.600 0.180 0.000 1.049 562 E CA 0.700 57.232 56.400 0.220 0.000 0.817 562 E CB -1.184 28.725 29.700 0.349 0.000 1.407 562 E HN 1.496 9.856 8.360 -0.000 0.000 0.434 563 G N -1.500 107.399 108.800 0.165 0.000 2.157 563 G HA2 -0.290 3.673 3.960 0.005 0.000 0.239 563 G HA3 -0.290 3.673 3.960 0.005 0.000 0.239 563 G C 0.122 175.185 174.900 0.273 0.000 0.982 563 G CA 0.106 45.283 45.100 0.128 0.000 0.650 563 G HN 0.375 8.665 8.290 -0.000 0.000 0.527 564 V N 1.025 121.090 119.914 0.252 0.000 2.487 564 V HA 0.563 4.686 4.120 0.005 0.000 0.298 564 V C 0.610 176.679 176.094 -0.040 0.000 1.028 564 V CA -1.064 61.317 62.300 0.134 0.000 0.860 564 V CB 1.656 33.512 31.823 0.056 0.000 0.991 564 V HN 0.362 8.552 8.190 -0.000 0.000 0.427 565 R N 4.045 124.475 120.500 -0.116 0.000 2.390 565 R HA 0.348 4.691 4.340 0.005 0.000 0.291 565 R C 0.901 177.030 176.300 -0.285 0.000 1.070 565 R CA -0.669 55.242 56.100 -0.315 0.000 1.014 565 R CB 0.690 30.748 30.300 -0.403 0.000 1.007 565 R HN 0.564 8.834 8.270 -0.000 0.000 0.466 566 M N 1.852 121.259 119.600 -0.321 0.000 2.460 566 M HA -0.100 4.383 4.480 0.005 0.000 0.263 566 M C 0.957 177.149 176.300 -0.179 0.000 1.071 566 M CA 1.519 56.630 55.300 -0.314 0.000 1.096 566 M CB -0.571 31.857 32.600 -0.287 0.000 1.408 566 M HN 0.537 8.827 8.290 -0.000 0.000 0.463 567 E N 0.420 120.532 120.200 -0.147 0.000 2.150 567 E HA -0.130 4.223 4.350 0.005 0.000 0.193 567 E C 1.817 178.384 176.600 -0.054 0.000 0.985 567 E CA 0.906 57.259 56.400 -0.077 0.000 0.814 567 E CB -0.224 29.429 29.700 -0.079 0.000 0.752 567 E HN 0.571 8.931 8.360 -0.000 0.000 0.466 568 E N 0.215 120.371 120.200 -0.074 0.000 2.106 568 E HA -0.127 4.226 4.350 0.005 0.000 0.192 568 E C 1.727 178.320 176.600 -0.011 0.000 0.984 568 E CA 0.630 57.013 56.400 -0.029 0.000 0.806 568 E CB -0.003 29.686 29.700 -0.018 0.000 0.750 568 E HN 0.211 8.571 8.360 -0.000 0.000 0.458 569 I N 0.778 121.316 120.570 -0.053 0.000 2.286 569 I HA -0.172 4.001 4.170 0.005 0.000 0.245 569 I C 2.414 178.549 176.117 0.029 0.000 1.104 569 I CA 0.840 62.137 61.300 -0.005 0.000 1.397 569 I CB -0.997 36.948 38.000 -0.091 0.000 1.072 569 I HN -0.008 8.202 8.210 -0.000 0.000 0.417 570 V N 1.000 120.921 119.914 0.012 0.000 2.255 570 V HA -0.291 3.832 4.120 0.005 0.000 0.247 570 V C 2.612 178.732 176.094 0.044 0.000 1.051 570 V CA 2.127 64.452 62.300 0.043 0.000 1.018 570 V CB -0.661 31.194 31.823 0.054 0.000 0.641 570 V HN 0.456 8.646 8.190 -0.000 0.000 0.445 571 E N 0.132 120.350 120.200 0.030 0.000 2.051 571 E HA -0.180 4.173 4.350 0.005 0.000 0.192 571 E C 2.277 178.903 176.600 0.043 0.000 0.991 571 E CA 1.417 57.835 56.400 0.030 0.000 0.799 571 E CB -0.450 29.265 29.700 0.024 0.000 0.748 571 E HN 0.576 8.936 8.360 -0.000 0.000 0.449 572 G N 0.505 109.336 108.800 0.051 0.000 2.421 572 G HA2 -0.288 3.675 3.960 0.005 0.000 0.216 572 G HA3 -0.288 3.675 3.960 0.005 0.000 0.216 572 G C 1.748 176.690 174.900 0.069 0.000 1.171 572 G CA 0.982 46.120 45.100 0.064 0.000 0.775 572 G HN 0.394 8.684 8.290 -0.000 0.000 0.543 573 C N 0.521 119.867 119.300 0.077 0.000 2.446 573 C HA 0.003 4.466 4.460 0.005 0.000 0.277 573 C C 3.259 178.302 174.990 0.089 0.000 1.275 573 C CA 1.524 60.593 59.018 0.086 0.000 1.727 573 C CB -0.999 26.800 27.740 0.097 0.000 2.010 573 C HN 0.439 8.669 8.230 -0.000 0.000 0.486 574 T N 0.505 115.110 114.554 0.086 0.000 2.788 574 T HA -0.049 4.304 4.350 0.005 0.000 0.268 574 T C 1.961 176.666 174.700 0.009 0.000 1.044 574 T CA 1.662 63.799 62.100 0.061 0.000 1.139 574 T CB -0.544 68.344 68.868 0.035 0.000 0.867 574 T HN 0.702 8.942 8.240 -0.000 0.000 0.454 575 G N 1.097 109.919 108.800 0.038 0.000 2.418 575 G HA2 -0.024 3.939 3.960 0.005 0.000 0.217 575 G HA3 -0.024 3.939 3.960 0.005 0.000 0.217 575 G C 1.813 176.752 174.900 0.065 0.000 1.158 575 G CA 0.815 45.955 45.100 0.067 0.000 0.771 575 G HN 0.574 8.864 8.290 -0.000 0.000 0.545 576 A N 0.486 123.337 122.820 0.052 0.000 1.930 576 A HA 0.165 4.488 4.320 0.005 0.000 0.217 576 A C 2.409 180.007 177.584 0.024 0.000 1.175 576 A CA 1.071 53.130 52.037 0.038 0.000 0.627 576 A CB -0.361 18.667 19.000 0.047 0.000 0.815 576 A HN 0.342 8.492 8.150 -0.000 0.000 0.443 577 L N -1.416 119.831 121.223 0.039 0.000 2.141 577 L HA -0.200 4.143 4.340 0.005 0.000 0.209 577 L C 2.572 179.433 176.870 -0.014 0.000 1.094 577 L CA 1.576 56.434 54.840 0.029 0.000 0.763 577 L CB -0.703 41.414 42.059 0.098 0.000 0.908 577 L HN 0.664 8.894 8.230 -0.000 0.000 0.437 578 H N 0.301 119.273 119.070 -0.164 0.000 2.319 578 H HA -0.189 4.370 4.556 0.005 0.000 0.299 578 H C 2.249 177.479 175.328 -0.162 0.000 1.092 578 H CA 1.551 57.467 56.048 -0.220 0.000 1.302 578 H CB 0.400 30.025 29.762 -0.227 0.000 1.373 578 H HN 0.147 8.427 8.280 -0.000 0.000 0.497 579 I N 1.005 121.469 120.570 -0.178 0.000 2.286 579 I HA -0.218 3.955 4.170 0.005 0.000 0.245 579 I C 2.693 178.691 176.117 -0.199 0.000 1.104 579 I CA 0.776 61.941 61.300 -0.226 0.000 1.397 579 I CB -1.165 36.763 38.000 -0.121 0.000 1.072 579 I HN 0.352 8.562 8.210 -0.000 0.000 0.417 580 L N 0.979 122.109 121.223 -0.155 0.000 2.127 580 L HA -0.155 4.188 4.340 0.005 0.000 0.211 580 L C 2.525 179.243 176.870 -0.253 0.000 1.089 580 L CA 1.155 55.862 54.840 -0.223 0.000 0.757 580 L CB -0.623 41.382 42.059 -0.091 0.000 0.899 580 L HN 0.189 8.419 8.230 -0.000 0.000 0.434 581 A N -0.209 122.517 122.820 -0.155 0.000 2.248 581 A HA -0.134 4.189 4.320 0.005 0.000 0.210 581 A C 2.212 179.712 177.584 -0.139 0.000 1.174 581 A CA 0.801 52.768 52.037 -0.116 0.000 0.750 581 A CB -0.509 18.446 19.000 -0.075 0.000 0.780 581 A HN 0.360 8.510 8.150 -0.000 0.000 0.478 582 R N -0.256 120.119 120.500 -0.207 0.000 2.237 582 R HA -0.060 4.283 4.340 0.005 0.000 0.219 582 R C 0.006 176.236 176.300 -0.117 0.000 1.080 582 R CA 0.904 56.920 56.100 -0.140 0.000 0.995 582 R CB -0.173 30.073 30.300 -0.091 0.000 0.875 582 R HN 0.636 8.906 8.270 -0.000 0.000 0.462 583 D N -0.468 119.802 120.400 -0.217 0.000 2.198 583 D HA 0.027 4.670 4.640 0.005 0.000 0.245 583 D C 0.996 177.244 176.300 -0.086 0.000 1.079 583 D CA -0.250 53.695 54.000 -0.092 0.000 0.854 583 D CB 1.827 42.579 40.800 -0.079 0.000 1.148 583 D HN -0.249 8.121 8.370 -0.000 0.000 0.456 584 V N 4.423 124.266 119.914 -0.120 0.000 2.332 584 V HA -0.270 3.853 4.120 0.005 0.000 0.248 584 V C 1.375 177.367 176.094 -0.171 0.000 1.055 584 V CA 2.046 64.241 62.300 -0.175 0.000 1.038 584 V CB -0.696 30.972 31.823 -0.258 0.000 0.651 584 V HN 0.733 8.923 8.190 -0.000 0.000 0.450 585 H N -0.041 119.034 119.070 0.008 0.000 2.423 585 H HA -0.064 4.495 4.556 0.005 0.000 0.297 585 H C 2.249 177.579 175.328 0.003 0.000 1.075 585 H CA 1.630 57.684 56.048 0.010 0.000 1.342 585 H CB -0.068 29.705 29.762 0.018 0.000 1.395 585 H HN 0.412 8.692 8.280 -0.000 0.000 0.530 586 N N 0.624 119.374 118.700 0.083 0.000 2.188 586 N HA -0.088 4.655 4.740 0.005 0.000 0.184 586 N C 1.717 177.240 175.510 0.022 0.000 1.018 586 N CA 0.790 53.860 53.050 0.033 0.000 0.858 586 N CB -0.108 38.358 38.487 -0.035 0.000 0.989 586 N HN 0.344 8.724 8.380 -0.000 0.000 0.426 587 R N 0.466 120.967 120.500 0.001 0.000 2.105 587 R HA 0.018 4.361 4.340 0.005 0.000 0.239 587 R C 2.166 178.484 176.300 0.031 0.000 1.135 587 R CA 0.856 56.961 56.100 0.009 0.000 0.967 587 R CB -0.309 29.983 30.300 -0.013 0.000 0.861 587 R HN 0.256 8.526 8.270 -0.000 0.000 0.442 588 I N 0.075 120.666 120.570 0.034 0.000 2.226 588 I HA -0.266 3.907 4.170 0.005 0.000 0.245 588 I C 2.208 178.353 176.117 0.046 0.000 1.100 588 I CA 1.146 62.472 61.300 0.043 0.000 1.374 588 I CB -0.217 37.819 38.000 0.060 0.000 1.057 588 I HN -0.015 8.195 8.210 -0.000 0.000 0.413 589 V N 1.114 121.059 119.914 0.053 0.000 2.295 589 V HA -0.278 3.845 4.120 0.005 0.000 0.246 589 V C 2.319 178.440 176.094 0.045 0.000 1.049 589 V CA 1.856 64.184 62.300 0.046 0.000 1.024 589 V CB -0.427 31.425 31.823 0.048 0.000 0.648 589 V HN 0.317 8.507 8.190 -0.000 0.000 0.447 590 I N -0.267 120.338 120.570 0.058 0.000 2.163 590 I HA -0.296 3.877 4.170 0.005 0.000 0.243 590 I C 2.780 178.940 176.117 0.073 0.000 1.085 590 I CA 2.000 63.351 61.300 0.086 0.000 1.347 590 I CB -0.436 37.642 38.000 0.130 0.000 1.044 590 I HN 0.226 8.436 8.210 -0.000 0.000 0.408 591 R N 1.062 121.602 120.500 0.066 0.000 2.092 591 R HA -0.116 4.227 4.340 0.005 0.000 0.231 591 R C 2.246 178.557 176.300 0.019 0.000 1.119 591 R CA 1.469 57.597 56.100 0.048 0.000 0.970 591 R CB -0.446 29.881 30.300 0.045 0.000 0.864 591 R HN 0.415 8.685 8.270 -0.000 0.000 0.440 592 G N 0.483 109.296 108.800 0.021 0.000 2.509 592 G HA2 -0.141 3.822 3.960 0.005 0.000 0.218 592 G HA3 -0.141 3.822 3.960 0.005 0.000 0.218 592 G C 1.148 176.048 174.900 -0.000 0.000 1.124 592 G CA 0.173 45.280 45.100 0.012 0.000 0.776 592 G HN 0.255 8.545 8.290 -0.000 0.000 0.547 593 L N 0.057 121.276 121.223 -0.006 0.000 2.627 593 L HA 0.206 4.549 4.340 0.005 0.000 0.232 593 L C 0.959 177.797 176.870 -0.054 0.000 1.150 593 L CA -0.283 54.544 54.840 -0.023 0.000 0.917 593 L CB -0.400 41.647 42.059 -0.019 0.000 1.104 593 L HN 0.199 8.429 8.230 -0.000 0.000 0.445 594 N N 0.462 119.132 118.700 -0.051 0.000 2.696 594 N HA -0.214 4.529 4.740 0.005 0.000 0.256 594 N C 0.939 176.364 175.510 -0.141 0.000 1.031 594 N CA 0.927 53.935 53.050 -0.070 0.000 0.730 594 N CB -0.564 37.892 38.487 -0.052 0.000 0.894 594 N HN 0.490 8.870 8.380 -0.000 0.000 0.544 595 T N -3.279 111.150 114.554 -0.207 0.000 3.037 595 T HA 0.207 4.560 4.350 0.005 0.000 0.251 595 T C 1.989 176.342 174.700 -0.579 0.000 1.079 595 T CA 0.485 62.288 62.100 -0.494 0.000 1.067 595 T CB -0.066 68.396 68.868 -0.677 0.000 0.948 595 T HN 0.341 8.581 8.240 -0.000 0.000 0.496 596 I N 2.180 122.633 120.570 -0.195 0.000 2.194 596 I HA -0.094 4.079 4.170 0.005 0.000 0.246 596 I C -0.638 175.455 176.117 -0.041 0.000 1.093 596 I CA 1.362 62.656 61.300 -0.011 0.000 1.355 596 I CB -1.121 36.907 38.000 0.047 0.000 1.046 596 I HN 0.215 8.425 8.210 -0.000 0.000 0.413 597 P HA -0.190 4.230 4.420 -0.000 0.000 0.216 597 P C 1.988 179.248 177.300 -0.067 0.000 1.150 597 P CA 1.391 64.464 63.100 -0.046 0.000 0.837 597 P CB 0.049 31.719 31.700 -0.050 0.000 0.786 598 L N -2.053 119.063 121.223 -0.179 0.000 2.027 598 L HA -0.163 4.180 4.340 0.005 0.000 0.206 598 L C 2.161 178.953 176.870 -0.129 0.000 1.074 598 L CA 1.721 56.431 54.840 -0.217 0.000 0.745 598 L CB -0.603 41.243 42.059 -0.355 0.000 0.898 598 L HN -0.103 8.127 8.230 -0.000 0.000 0.433 599 F N -0.396 119.507 119.950 -0.079 0.000 2.126 599 F HA -0.220 4.311 4.527 0.005 0.000 0.299 599 F C 2.479 178.240 175.800 -0.065 0.000 1.096 599 F CA 1.216 59.164 58.000 -0.087 0.000 1.255 599 F CB -1.390 37.562 39.000 -0.079 0.000 0.997 599 F HN -0.111 8.189 8.300 -0.000 0.000 0.479 600 V N -0.386 119.619 119.914 0.151 0.000 2.343 600 V HA -0.257 3.866 4.120 0.005 0.000 0.247 600 V C 2.448 178.641 176.094 0.165 0.000 1.051 600 V CA 1.591 63.956 62.300 0.109 0.000 1.036 600 V CB -0.595 31.287 31.823 0.100 0.000 0.654 600 V HN 0.290 8.480 8.190 -0.000 0.000 0.451 601 Q N -0.359 119.532 119.800 0.152 0.000 2.167 601 Q HA -0.052 4.291 4.340 0.005 0.000 0.202 601 Q C 2.197 178.322 176.000 0.207 0.000 0.970 601 Q CA 1.298 57.232 55.803 0.220 0.000 0.855 601 Q CB -0.371 28.413 28.738 0.076 0.000 0.911 601 Q HN 0.556 8.826 8.270 -0.000 0.000 0.438 602 L N 0.039 121.291 121.223 0.049 0.000 2.362 602 L HA -0.151 4.192 4.340 0.005 0.000 0.219 602 L C 1.849 178.743 176.870 0.041 0.000 1.134 602 L CA 0.050 54.898 54.840 0.014 0.000 0.807 602 L CB -0.321 41.727 42.059 -0.018 0.000 0.927 602 L HN 0.168 8.398 8.230 -0.000 0.000 0.447 603 L N -1.109 120.127 121.223 0.021 0.000 2.191 603 L HA -0.192 4.151 4.340 0.005 0.000 0.212 603 L C 1.891 178.665 176.870 -0.160 0.000 1.103 603 L CA 1.729 56.499 54.840 -0.118 0.000 0.769 603 L CB -0.861 41.060 42.059 -0.231 0.000 0.908 603 L HN 0.223 8.453 8.230 -0.000 0.000 0.438 604 Y N -1.671 118.626 120.300 -0.006 0.000 2.529 604 Y HA 0.142 4.695 4.550 0.005 0.000 0.290 604 Y C 1.681 177.586 175.900 0.009 0.000 1.177 604 Y CA -0.146 57.955 58.100 0.002 0.000 1.305 604 Y CB -0.332 38.136 38.460 0.013 0.000 1.047 604 Y HN -0.001 8.279 8.280 -0.000 0.000 0.522 605 S N 2.391 118.170 115.700 0.133 0.000 2.558 605 S HA 0.002 4.475 4.470 0.005 0.000 0.288 605 S C -1.113 173.518 174.600 0.053 0.000 1.318 605 S CA -1.100 57.154 58.200 0.091 0.000 1.056 605 S CB 0.721 63.958 63.200 0.062 0.000 0.853 605 S HN 0.161 8.471 8.310 -0.000 0.000 0.505 606 P HA 0.148 4.568 4.420 -0.000 0.000 0.240 606 P C -0.074 177.233 177.300 0.012 0.000 1.190 606 P CA 0.199 63.314 63.100 0.026 0.000 0.781 606 P CB 0.020 31.733 31.700 0.023 0.000 0.931 607 I N 1.690 122.267 120.570 0.012 0.000 2.337 607 I HA 0.128 4.301 4.170 0.005 0.000 0.291 607 I C 1.902 178.020 176.117 0.001 0.000 1.046 607 I CA -0.285 61.018 61.300 0.005 0.000 1.324 607 I CB 0.455 38.459 38.000 0.005 0.000 1.409 607 I HN 0.035 8.245 8.210 -0.000 0.000 0.494 608 E N 5.410 125.610 120.200 -0.001 0.000 2.085 608 E HA -0.249 4.104 4.350 0.005 0.000 0.194 608 E C 1.175 177.775 176.600 -0.001 0.000 0.994 608 E CA 1.607 58.003 56.400 -0.006 0.000 0.801 608 E CB 0.316 30.014 29.700 -0.004 0.000 0.743 608 E HN 0.577 8.937 8.360 -0.000 0.000 0.453 609 N N 0.356 119.061 118.700 0.008 0.000 2.309 609 N HA -0.099 4.644 4.740 0.005 0.000 0.182 609 N C 1.825 177.340 175.510 0.008 0.000 1.018 609 N CA 0.824 53.884 53.050 0.016 0.000 0.876 609 N CB -0.087 38.414 38.487 0.023 0.000 0.972 609 N HN 0.335 8.715 8.380 -0.000 0.000 0.434 610 I N 1.053 121.624 120.570 0.002 0.000 2.286 610 I HA -0.213 3.960 4.170 0.005 0.000 0.245 610 I C 2.077 178.178 176.117 -0.026 0.000 1.104 610 I CA 0.806 62.102 61.300 -0.005 0.000 1.397 610 I CB -0.155 37.851 38.000 0.009 0.000 1.072 610 I HN 0.106 8.316 8.210 -0.000 0.000 0.417 611 Q N 0.310 120.095 119.800 -0.025 0.000 2.096 611 Q HA -0.257 4.086 4.340 0.005 0.000 0.204 611 Q C 2.300 178.270 176.000 -0.050 0.000 0.982 611 Q CA 1.548 57.323 55.803 -0.046 0.000 0.850 611 Q CB -0.231 28.478 28.738 -0.049 0.000 0.901 611 Q HN 0.387 8.657 8.270 -0.000 0.000 0.422 612 R N 0.520 121.010 120.500 -0.018 0.000 2.070 612 R HA -0.147 4.197 4.340 0.005 0.000 0.233 612 R C 2.287 178.549 176.300 -0.064 0.000 1.137 612 R CA 1.766 57.885 56.100 0.033 0.000 0.945 612 R CB -0.179 30.163 30.300 0.071 0.000 0.845 612 R HN 0.316 8.586 8.270 -0.000 0.000 0.430 613 V N -1.927 117.916 119.914 -0.118 0.000 2.667 613 V HA 0.063 4.186 4.120 0.005 0.000 0.252 613 V C 2.192 178.035 176.094 -0.418 0.000 1.065 613 V CA 1.424 63.558 62.300 -0.277 0.000 1.083 613 V CB -0.719 31.038 31.823 -0.109 0.000 0.692 613 V HN 0.362 8.552 8.190 -0.000 0.000 0.468 614 A N 0.980 123.639 122.820 -0.269 0.000 1.872 614 A HA 0.168 4.491 4.320 0.005 0.000 0.214 614 A C 2.484 179.866 177.584 -0.337 0.000 1.187 614 A CA 2.052 53.924 52.037 -0.275 0.000 0.614 614 A CB -1.058 17.878 19.000 -0.106 0.000 0.826 614 A HN 0.860 9.010 8.150 -0.000 0.000 0.442 615 A N -0.409 122.257 122.820 -0.256 0.000 1.933 615 A HA 0.138 4.461 4.320 0.005 0.000 0.218 615 A C 2.375 179.701 177.584 -0.429 0.000 1.175 615 A CA 1.900 53.808 52.037 -0.216 0.000 0.628 615 A CB -1.343 17.623 19.000 -0.057 0.000 0.814 615 A HN 0.694 8.844 8.150 -0.000 0.000 0.444 616 G N -0.801 107.514 108.800 -0.808 0.000 2.433 616 G HA2 -0.158 3.805 3.960 0.005 0.000 0.216 616 G HA3 -0.158 3.805 3.960 0.005 0.000 0.216 616 G C 1.629 175.854 174.900 -1.126 0.000 1.186 616 G CA 1.200 45.311 45.100 -1.647 0.000 0.779 616 G HN 0.485 8.775 8.290 -0.000 0.000 0.543 617 V N 0.668 120.026 119.914 -0.926 0.000 2.427 617 V HA -0.023 4.100 4.120 0.005 0.000 0.248 617 V C 2.860 178.686 176.094 -0.447 0.000 1.051 617 V CA 1.490 63.432 62.300 -0.596 0.000 1.048 617 V CB -0.224 31.075 31.823 -0.874 0.000 0.666 617 V HN 0.409 8.599 8.190 -0.000 0.000 0.456 618 L N -0.714 120.254 121.223 -0.424 0.000 2.083 618 L HA -0.210 4.133 4.340 0.005 0.000 0.209 618 L C 2.746 179.528 176.870 -0.147 0.000 1.083 618 L CA 1.801 56.515 54.840 -0.211 0.000 0.752 618 L CB -0.786 41.185 42.059 -0.147 0.000 0.899 618 L HN 0.554 8.784 8.230 -0.000 0.000 0.433 619 C N 0.276 119.462 119.300 -0.189 0.000 2.432 619 C HA -0.140 4.323 4.460 0.005 0.000 0.277 619 C C 2.810 177.764 174.990 -0.060 0.000 1.249 619 C CA 0.878 59.841 59.018 -0.092 0.000 1.725 619 C CB -0.572 27.118 27.740 -0.083 0.000 2.028 619 C HN 0.481 8.711 8.230 -0.000 0.000 0.477 620 E N 0.649 120.794 120.200 -0.092 0.000 2.077 620 E HA -0.142 4.211 4.350 0.005 0.000 0.193 620 E C 2.154 178.729 176.600 -0.041 0.000 0.989 620 E CA 1.231 57.603 56.400 -0.046 0.000 0.800 620 E CB -0.610 29.066 29.700 -0.039 0.000 0.746 620 E HN 0.696 9.056 8.360 -0.000 0.000 0.452 621 L N 0.463 121.653 121.223 -0.055 0.000 2.131 621 L HA -0.112 4.231 4.340 0.005 0.000 0.210 621 L C 2.380 179.244 176.870 -0.009 0.000 1.092 621 L CA 0.973 55.800 54.840 -0.023 0.000 0.759 621 L CB -0.428 41.629 42.059 -0.004 0.000 0.903 621 L HN 0.040 8.270 8.230 -0.000 0.000 0.435 622 A N 0.122 122.935 122.820 -0.013 0.000 2.216 622 A HA -0.178 4.145 4.320 0.005 0.000 0.214 622 A C 2.183 179.774 177.584 0.011 0.000 1.160 622 A CA 0.984 53.023 52.037 0.003 0.000 0.725 622 A CB -0.465 18.538 19.000 0.005 0.000 0.784 622 A HN 0.655 8.805 8.150 -0.000 0.000 0.472 623 Q N -0.393 119.410 119.800 0.005 0.000 2.436 623 Q HA -0.051 4.293 4.340 0.005 0.000 0.209 623 Q C -0.797 175.205 176.000 0.003 0.000 0.965 623 Q CA 0.708 56.516 55.803 0.008 0.000 0.910 623 Q CB -0.167 28.573 28.738 0.003 0.000 0.980 623 Q HN 0.407 8.677 8.270 -0.000 0.000 0.491 624 D N 1.217 121.618 120.400 0.001 0.000 2.280 624 D HA 0.118 4.761 4.640 0.005 0.000 0.236 624 D C 0.470 176.774 176.300 0.006 0.000 1.082 624 D CA -0.427 53.573 54.000 -0.001 0.000 0.834 624 D CB 1.766 42.563 40.800 -0.005 0.000 1.100 624 D HN -0.072 8.298 8.370 -0.000 0.000 0.486 625 K N 2.023 122.427 120.400 0.007 0.000 2.052 625 K HA -0.224 4.099 4.320 0.005 0.000 0.215 625 K C 1.452 178.059 176.600 0.012 0.000 1.053 625 K CA 1.479 57.773 56.287 0.011 0.000 0.934 625 K CB 0.004 32.511 32.500 0.010 0.000 0.717 625 K HN 0.554 8.804 8.250 -0.000 0.000 0.450 626 E N 0.220 120.426 120.200 0.010 0.000 2.077 626 E HA -0.144 4.209 4.350 0.005 0.000 0.193 626 E C 2.070 178.678 176.600 0.014 0.000 0.989 626 E CA 1.064 57.471 56.400 0.012 0.000 0.800 626 E CB -0.134 29.572 29.700 0.011 0.000 0.746 626 E HN 0.356 8.716 8.360 -0.000 0.000 0.452 627 A N 1.517 124.345 122.820 0.014 0.000 1.933 627 A HA -0.099 4.224 4.320 0.005 0.000 0.218 627 A C 2.394 179.989 177.584 0.018 0.000 1.175 627 A CA 1.604 53.652 52.037 0.019 0.000 0.628 627 A CB -0.547 18.464 19.000 0.019 0.000 0.814 627 A HN 0.289 8.439 8.150 -0.000 0.000 0.444 628 A N -0.176 122.653 122.820 0.015 0.000 1.933 628 A HA -0.186 4.137 4.320 0.005 0.000 0.218 628 A C 1.922 179.515 177.584 0.015 0.000 1.175 628 A CA 1.710 53.756 52.037 0.015 0.000 0.628 628 A CB -0.497 18.514 19.000 0.019 0.000 0.814 628 A HN 0.644 8.794 8.150 -0.000 0.000 0.444 629 E N -0.375 119.834 120.200 0.014 0.000 2.072 629 E HA -0.080 4.273 4.350 0.005 0.000 0.191 629 E C 2.319 178.926 176.600 0.013 0.000 0.985 629 E CA 0.900 57.307 56.400 0.013 0.000 0.801 629 E CB -0.276 29.432 29.700 0.012 0.000 0.750 629 E HN 0.615 8.975 8.360 -0.000 0.000 0.452 630 A N 1.036 123.865 122.820 0.015 0.000 1.933 630 A HA -0.165 4.158 4.320 0.005 0.000 0.218 630 A C 2.133 179.729 177.584 0.019 0.000 1.175 630 A CA 1.017 53.063 52.037 0.016 0.000 0.628 630 A CB -0.534 18.477 19.000 0.018 0.000 0.814 630 A HN 0.147 8.297 8.150 -0.000 0.000 0.444 631 I N -0.811 119.772 120.570 0.021 0.000 2.252 631 I HA -0.229 3.944 4.170 0.005 0.000 0.245 631 I C 2.539 178.665 176.117 0.015 0.000 1.102 631 I CA 1.688 63.002 61.300 0.024 0.000 1.385 631 I CB -0.268 37.744 38.000 0.020 0.000 1.064 631 I HN 0.513 8.723 8.210 -0.000 0.000 0.414 632 E N 1.377 121.582 120.200 0.009 0.000 2.106 632 E HA -0.218 4.135 4.350 0.005 0.000 0.192 632 E C 2.238 178.843 176.600 0.008 0.000 0.984 632 E CA 1.139 57.541 56.400 0.004 0.000 0.806 632 E CB -0.012 29.689 29.700 0.002 0.000 0.750 632 E HN 0.471 8.831 8.360 -0.000 0.000 0.458 633 A N 0.939 123.765 122.820 0.010 0.000 2.125 633 A HA -0.133 4.190 4.320 0.005 0.000 0.219 633 A C 1.637 179.230 177.584 0.014 0.000 1.156 633 A CA 1.036 53.079 52.037 0.010 0.000 0.671 633 A CB -0.175 18.830 19.000 0.010 0.000 0.794 633 A HN 0.172 8.322 8.150 -0.000 0.000 0.459 634 E N -0.841 119.370 120.200 0.018 0.000 2.437 634 E HA 0.195 4.548 4.350 0.005 0.000 0.189 634 E C 1.019 177.641 176.600 0.036 0.000 1.054 634 E CA 0.499 56.914 56.400 0.025 0.000 0.874 634 E CB -0.401 29.317 29.700 0.029 0.000 1.011 634 E HN 0.704 9.064 8.360 -0.000 0.000 0.474 635 G N 1.493 110.310 108.800 0.029 0.000 2.246 635 G HA2 -0.351 3.612 3.960 0.005 0.000 0.273 635 G HA3 -0.351 3.612 3.960 0.005 0.000 0.273 635 G C 1.033 175.957 174.900 0.040 0.000 1.055 635 G CA 0.515 45.637 45.100 0.036 0.000 0.851 635 G HN 0.413 8.703 8.290 -0.000 0.000 0.500 636 A N -0.941 121.890 122.820 0.018 0.000 2.014 636 A HA 0.221 4.544 4.320 0.005 0.000 0.218 636 A C 2.466 180.025 177.584 -0.042 0.000 1.163 636 A CA 2.355 54.388 52.037 -0.007 0.000 0.652 636 A CB -0.506 18.488 19.000 -0.010 0.000 0.808 636 A HN 0.789 8.939 8.150 -0.000 0.000 0.449 637 T N 0.827 115.361 114.554 -0.033 0.000 2.624 637 T HA -0.215 4.138 4.350 0.005 0.000 0.268 637 T C 2.215 176.879 174.700 -0.060 0.000 1.041 637 T CA 2.022 64.092 62.100 -0.051 0.000 1.159 637 T CB -0.562 68.283 68.868 -0.038 0.000 0.863 637 T HN 0.627 8.867 8.240 -0.000 0.000 0.434 638 A N 2.412 125.210 122.820 -0.036 0.000 1.845 638 A HA -0.051 4.272 4.320 0.005 0.000 0.215 638 A C 0.548 178.074 177.584 -0.096 0.000 1.195 638 A CA 1.564 53.580 52.037 -0.035 0.000 0.616 638 A CB -1.638 17.374 19.000 0.020 0.000 0.832 638 A HN 0.447 8.597 8.150 -0.000 0.000 0.443 639 P HA -0.134 4.286 4.420 -0.000 0.000 0.218 639 P C 1.550 178.692 177.300 -0.264 0.000 1.148 639 P CA 1.003 63.876 63.100 -0.379 0.000 0.822 639 P CB -0.199 31.052 31.700 -0.748 0.000 0.784 640 L N -0.705 120.407 121.223 -0.184 0.000 2.093 640 L HA -0.107 4.236 4.340 0.005 0.000 0.208 640 L C 2.628 179.413 176.870 -0.141 0.000 1.085 640 L CA 1.780 56.529 54.840 -0.152 0.000 0.755 640 L CB -1.604 40.382 42.059 -0.121 0.000 0.904 640 L HN 0.006 8.236 8.230 -0.000 0.000 0.435 641 T N -0.975 113.508 114.554 -0.119 0.000 2.746 641 T HA -0.163 4.190 4.350 0.005 0.000 0.267 641 T C 1.785 176.440 174.700 -0.075 0.000 1.039 641 T CA 1.087 63.133 62.100 -0.090 0.000 1.142 641 T CB -0.120 68.711 68.868 -0.061 0.000 0.866 641 T HN 0.266 8.506 8.240 -0.000 0.000 0.444 642 E N 1.050 121.191 120.200 -0.098 0.000 2.153 642 E HA -0.003 4.350 4.350 0.005 0.000 0.194 642 E C 2.145 178.542 176.600 -0.337 0.000 0.988 642 E CA 0.681 57.011 56.400 -0.116 0.000 0.811 642 E CB -0.307 29.330 29.700 -0.105 0.000 0.746 642 E HN 0.492 8.852 8.360 -0.000 0.000 0.466 643 L N 0.492 121.557 121.223 -0.264 0.000 2.465 643 L HA -0.057 4.286 4.340 0.005 0.000 0.224 643 L C 2.308 179.032 176.870 -0.243 0.000 1.145 643 L CA 0.132 54.809 54.840 -0.271 0.000 0.834 643 L CB -0.298 41.651 42.059 -0.183 0.000 0.944 643 L HN 0.085 8.315 8.230 -0.000 0.000 0.451 644 L N 0.084 121.197 121.223 -0.184 0.000 2.187 644 L HA -0.211 4.132 4.340 0.005 0.000 0.213 644 L C 2.227 179.070 176.870 -0.045 0.000 1.100 644 L CA 0.997 55.779 54.840 -0.096 0.000 0.765 644 L CB -0.642 41.387 42.059 -0.050 0.000 0.904 644 L HN 0.554 8.784 8.230 -0.000 0.000 0.437 645 H N -2.275 116.769 119.070 -0.043 0.000 2.505 645 H HA 0.210 4.769 4.556 0.005 0.000 0.289 645 H C 0.783 176.094 175.328 -0.029 0.000 1.052 645 H CA -0.233 55.796 56.048 -0.032 0.000 1.156 645 H CB 0.059 29.804 29.762 -0.027 0.000 1.507 645 H HN 0.063 8.343 8.280 -0.000 0.000 0.548 646 S N 1.027 116.628 115.700 -0.166 0.000 2.568 646 S HA 0.030 4.503 4.470 0.005 0.000 0.282 646 S C 1.409 175.990 174.600 -0.033 0.000 1.338 646 S CA -0.591 57.541 58.200 -0.113 0.000 1.045 646 S CB 0.849 63.972 63.200 -0.128 0.000 0.873 646 S HN 0.415 8.725 8.310 -0.000 0.000 0.516 647 R N 2.137 122.628 120.500 -0.014 0.000 2.189 647 R HA 0.069 4.412 4.340 0.005 0.000 0.218 647 R C 0.490 176.780 176.300 -0.017 0.000 1.074 647 R CA 0.245 56.343 56.100 -0.003 0.000 0.991 647 R CB -0.945 29.357 30.300 0.005 0.000 0.883 647 R HN 0.611 8.881 8.270 -0.000 0.000 0.457 648 N N 2.160 120.843 118.700 -0.029 0.000 2.402 648 N HA -0.033 4.710 4.740 0.005 0.000 0.252 648 N C 0.528 176.005 175.510 -0.055 0.000 1.118 648 N CA 0.243 53.272 53.050 -0.034 0.000 0.945 648 N CB 0.885 39.355 38.487 -0.029 0.000 1.147 648 N HN 0.129 8.509 8.380 -0.000 0.000 0.495 649 E N 2.509 122.674 120.200 -0.058 0.000 2.097 649 E HA -0.194 4.159 4.350 0.005 0.000 0.196 649 E C 1.599 178.111 176.600 -0.146 0.000 1.000 649 E CA 1.490 57.841 56.400 -0.083 0.000 0.804 649 E CB -0.015 29.641 29.700 -0.072 0.000 0.740 649 E HN 0.796 9.156 8.360 -0.000 0.000 0.454 650 G N 1.010 109.711 108.800 -0.164 0.000 2.459 650 G HA2 -0.270 3.693 3.960 0.005 0.000 0.217 650 G HA3 -0.270 3.693 3.960 0.005 0.000 0.217 650 G C 1.755 176.494 174.900 -0.270 0.000 1.183 650 G CA 1.021 45.935 45.100 -0.310 0.000 0.776 650 G HN 0.145 8.435 8.290 -0.000 0.000 0.552 651 V N 1.703 121.566 119.914 -0.086 0.000 2.255 651 V HA -0.195 3.928 4.120 0.005 0.000 0.247 651 V C 3.374 179.431 176.094 -0.061 0.000 1.051 651 V CA 2.285 64.569 62.300 -0.027 0.000 1.018 651 V CB -1.041 30.756 31.823 -0.043 0.000 0.641 651 V HN 0.500 8.690 8.190 -0.000 0.000 0.445 652 A N -0.529 122.238 122.820 -0.089 0.000 1.933 652 A HA -0.232 4.091 4.320 0.005 0.000 0.218 652 A C 2.381 179.919 177.584 -0.076 0.000 1.175 652 A CA 2.585 54.572 52.037 -0.082 0.000 0.628 652 A CB -0.930 18.030 19.000 -0.067 0.000 0.814 652 A HN 0.538 8.688 8.150 -0.000 0.000 0.444 653 T N -1.210 113.268 114.554 -0.127 0.000 2.770 653 T HA -0.099 4.254 4.350 0.005 0.000 0.263 653 T C 1.776 176.447 174.700 -0.049 0.000 1.039 653 T CA 1.602 63.630 62.100 -0.121 0.000 1.142 653 T CB -0.438 68.291 68.868 -0.233 0.000 0.868 653 T HN 0.498 8.738 8.240 -0.000 0.000 0.435 654 Y N 1.755 122.039 120.300 -0.027 0.000 2.181 654 Y HA 0.039 4.592 4.550 0.005 0.000 0.288 654 Y C 2.765 178.625 175.900 -0.067 0.000 1.146 654 Y CA 0.124 58.197 58.100 -0.046 0.000 1.164 654 Y CB -1.292 37.113 38.460 -0.091 0.000 0.982 654 Y HN 0.199 8.479 8.280 -0.000 0.000 0.515 655 A N 0.120 122.980 122.820 0.066 0.000 1.877 655 A HA -0.143 4.180 4.320 0.005 0.000 0.216 655 A C 2.528 180.070 177.584 -0.070 0.000 1.186 655 A CA 2.163 54.182 52.037 -0.029 0.000 0.620 655 A CB -1.307 17.648 19.000 -0.076 0.000 0.822 655 A HN 0.390 8.540 8.150 -0.000 0.000 0.443 656 A N -0.241 122.532 122.820 -0.079 0.000 1.940 656 A HA 0.129 4.452 4.320 0.005 0.000 0.219 656 A C 2.495 180.014 177.584 -0.108 0.000 1.176 656 A CA 2.202 54.128 52.037 -0.185 0.000 0.631 656 A CB -1.001 17.946 19.000 -0.088 0.000 0.814 656 A HN 1.100 9.250 8.150 -0.000 0.000 0.446 657 A N -0.552 122.329 122.820 0.101 0.000 1.902 657 A HA -0.003 4.320 4.320 0.005 0.000 0.217 657 A C 2.213 179.872 177.584 0.124 0.000 1.181 657 A CA 1.800 53.962 52.037 0.208 0.000 0.623 657 A CB -0.908 18.210 19.000 0.196 0.000 0.818 657 A HN 0.418 8.568 8.150 -0.000 0.000 0.443 658 V N 0.097 120.036 119.914 0.042 0.000 2.343 658 V HA -0.247 3.876 4.120 0.005 0.000 0.247 658 V C 2.542 178.625 176.094 -0.019 0.000 1.051 658 V CA 1.852 64.156 62.300 0.007 0.000 1.036 658 V CB -0.805 31.002 31.823 -0.028 0.000 0.654 658 V HN 0.556 8.746 8.190 -0.000 0.000 0.451 659 L N -1.326 119.838 121.223 -0.098 0.000 2.046 659 L HA -0.159 4.184 4.340 0.005 0.000 0.208 659 L C 2.427 179.231 176.870 -0.110 0.000 1.077 659 L CA 1.846 56.588 54.840 -0.164 0.000 0.747 659 L CB -0.579 41.294 42.059 -0.311 0.000 0.896 659 L HN 0.245 8.475 8.230 -0.000 0.000 0.432 660 F N -0.123 119.824 119.950 -0.004 0.000 2.102 660 F HA -0.200 4.330 4.527 0.005 0.000 0.298 660 F C 2.772 178.571 175.800 -0.001 0.000 1.105 660 F CA 0.955 58.954 58.000 -0.002 0.000 1.239 660 F CB -0.197 38.804 39.000 0.001 0.000 0.991 660 F HN -0.089 8.211 8.300 -0.000 0.000 0.474 661 R N -0.281 120.335 120.500 0.193 0.000 2.120 661 R HA -0.138 4.205 4.340 0.005 0.000 0.234 661 R C 2.126 178.466 176.300 0.067 0.000 1.123 661 R CA 1.316 57.480 56.100 0.107 0.000 0.975 661 R CB -0.277 30.070 30.300 0.078 0.000 0.866 661 R HN 0.360 8.630 8.270 -0.000 0.000 0.446 662 M N -0.143 119.485 119.600 0.048 0.000 2.156 662 M HA -0.084 4.399 4.480 0.005 0.000 0.264 662 M C 2.034 178.351 176.300 0.028 0.000 1.067 662 M CA 1.607 56.922 55.300 0.025 0.000 1.131 662 M CB -0.049 32.552 32.600 0.002 0.000 1.368 662 M HN 0.099 8.389 8.290 -0.000 0.000 0.416 663 S N -0.559 115.164 115.700 0.038 0.000 2.650 663 S HA -0.010 4.463 4.470 0.005 0.000 0.219 663 S C 1.312 175.948 174.600 0.060 0.000 0.960 663 S CA 0.329 58.552 58.200 0.039 0.000 0.925 663 S CB -0.266 62.953 63.200 0.032 0.000 0.775 663 S HN 0.506 8.816 8.310 -0.000 0.000 0.525 664 E N 1.557 121.797 120.200 0.067 0.000 2.065 664 E HA -0.090 4.263 4.350 0.005 0.000 0.191 664 E C 0.785 177.409 176.600 0.040 0.000 0.960 664 E CA 0.631 57.067 56.400 0.060 0.000 0.824 664 E CB -0.131 29.607 29.700 0.064 0.000 0.793 664 E HN 0.358 8.718 8.360 -0.000 0.000 0.459 665 D N 0.647 121.067 120.400 0.034 0.000 2.254 665 D HA -0.344 4.299 4.640 0.005 0.000 0.538 665 D C 1.855 178.169 176.300 0.024 0.000 0.934 665 D CA 3.204 57.219 54.000 0.026 0.000 1.525 665 D CB -0.487 40.326 40.800 0.022 0.000 1.102 665 D HN 0.333 8.703 8.370 -0.000 0.000 0.411 666 K N 0.203 120.617 120.400 0.023 0.000 2.306 666 K HA 0.138 4.461 4.320 0.005 0.000 0.200 666 K C -1.758 174.859 176.600 0.028 0.000 1.083 666 K CA -0.084 56.217 56.287 0.023 0.000 0.959 666 K CB -1.430 31.081 32.500 0.020 0.000 0.994 666 K HN 0.198 8.448 8.250 -0.000 0.000 0.492 667 P HA -0.202 4.218 4.420 -0.000 0.000 0.214 667 P C 0.230 177.555 177.300 0.042 0.000 0.970 667 P CA 1.089 64.205 63.100 0.027 0.000 1.047 667 P CB -0.093 31.618 31.700 0.018 0.000 1.015 668 Q N 1.911 121.743 119.800 0.052 0.000 2.363 668 Q HA 0.097 4.440 4.340 0.005 0.000 0.192 668 Q C 0.303 176.374 176.000 0.119 0.000 0.994 668 Q CA -0.077 55.768 55.803 0.070 0.000 0.848 668 Q CB -0.111 28.660 28.738 0.054 0.000 0.987 668 Q HN 0.217 8.487 8.270 -0.000 0.000 0.559 669 D N -0.166 120.310 120.400 0.127 0.000 2.425 669 D HA 0.189 4.832 4.640 0.005 0.000 0.274 669 D C -0.331 176.173 176.300 0.339 0.000 1.242 669 D CA -0.131 53.995 54.000 0.210 0.000 1.060 669 D CB 0.336 41.207 40.800 0.118 0.000 1.112 669 D HN 0.059 8.429 8.370 -0.000 0.000 0.561 670 Y N -0.448 119.859 120.300 0.010 0.000 2.593 670 Y HA 0.525 5.078 4.550 0.005 0.000 0.330 670 Y C 0.725 176.630 175.900 0.009 0.000 1.223 670 Y CA -0.530 57.576 58.100 0.010 0.000 1.350 670 Y CB 0.608 39.074 38.460 0.009 0.000 1.499 670 Y HN 0.231 8.511 8.280 -0.000 0.000 0.554 671 K N 0.000 120.506 120.400 0.176 0.000 2.780 671 K HA 0.000 4.323 4.320 0.005 0.000 0.191 671 K CA 0.000 56.344 56.287 0.094 0.000 0.838 671 K CB 0.000 32.538 32.500 0.063 0.000 1.064 671 K HN 0.000 8.250 8.250 -0.000 0.000 0.543