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 1cl0_1_A DATA FIRST_RESID 1 DATA SEQUENCE GTTKHSKLLI LGSGPAGYTA AVYAARANLQ PVLITGMEKG GQLTTTTEVE DATA SEQUENCE NWPGDPNDLT GPLLMERMHE HATKFETEII FDHINKVDLQ NRPFRLNGDN DATA SEQUENCE GEYTCDALII ATGASARYLG LPSEEAFKGR GVSACATCDG FFYRNQKVAV DATA SEQUENCE IGGGNTAVEE ALYLSNIASE VHLIHRRDGF RAEKILIKRL MDKVENGNII DATA SEQUENCE LHTNRTLEEV TGDQMGVTGV RLRDTQNSDN IESLDVAGLF VAIGHSPNTA DATA SEQUENCE IFEGQLELEN GYIKVQSGIH GNATQTSIPG VFAAGDVMDH IYRQAITSAG DATA SEQUENCE TGCMAALDAE RYLDGLA 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 1 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1 G C 0.000 174.879 174.900 -0.035 0.000 0.946 1 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 2 T N 1.809 116.331 114.554 -0.053 0.000 2.897 2 T HA 0.582 4.932 4.350 0.001 0.000 0.294 2 T C 0.167 174.796 174.700 -0.117 0.000 1.004 2 T CA 0.196 62.254 62.100 -0.071 0.000 1.106 2 T CB 1.194 70.020 68.868 -0.069 0.000 0.949 2 T HN 0.420 8.660 8.240 -0.000 0.000 0.520 3 T N 3.663 118.168 114.554 -0.082 0.000 2.934 3 T HA 0.335 4.685 4.350 0.001 0.000 0.328 3 T C -0.234 174.449 174.700 -0.029 0.000 1.068 3 T CA -0.720 61.334 62.100 -0.078 0.000 1.018 3 T CB 0.683 69.538 68.868 -0.021 0.000 1.009 3 T HN 0.454 8.694 8.240 -0.000 0.000 0.471 4 K N 2.416 122.782 120.400 -0.057 0.000 2.130 4 K HA 0.451 4.772 4.320 0.001 0.000 0.268 4 K C -0.952 175.753 176.600 0.175 0.000 0.983 4 K CA -0.643 55.683 56.287 0.066 0.000 0.893 4 K CB 0.794 33.347 32.500 0.088 0.000 1.066 4 K HN 0.652 8.902 8.250 -0.000 0.000 0.450 5 H N 1.050 120.172 119.070 0.087 0.000 2.529 5 H HA 0.362 4.918 4.556 0.001 0.000 0.348 5 H C -1.487 173.901 175.328 0.099 0.000 1.079 5 H CA -0.369 55.737 56.048 0.097 0.000 1.198 5 H CB 1.320 31.119 29.762 0.062 0.000 1.521 5 H HN 0.657 8.937 8.280 -0.000 0.000 0.514 6 S N 3.517 119.046 115.700 -0.285 0.000 2.548 6 S HA 0.256 4.727 4.470 0.001 0.000 0.286 6 S C 0.758 175.202 174.600 -0.260 0.000 1.098 6 S CA -1.129 56.992 58.200 -0.133 0.000 0.930 6 S CB 2.301 65.490 63.200 -0.019 0.000 1.070 6 S HN 0.779 9.089 8.310 -0.000 0.000 0.480 7 K N -0.421 119.947 120.400 -0.054 0.000 2.009 7 K HA -0.020 4.301 4.320 0.001 0.000 0.210 7 K C 0.142 176.755 176.600 0.023 0.000 1.049 7 K CA 1.318 57.611 56.287 0.011 0.000 0.929 7 K CB -0.205 32.333 32.500 0.064 0.000 0.714 7 K HN 0.611 8.861 8.250 -0.000 0.000 0.440 8 L N 1.114 122.353 121.223 0.027 0.000 2.362 8 L HA 0.426 4.767 4.340 0.001 0.000 0.275 8 L C -1.621 175.261 176.870 0.021 0.000 0.998 8 L CA -0.693 54.178 54.840 0.051 0.000 0.820 8 L CB 1.702 43.792 42.059 0.051 0.000 1.270 8 L HN -0.037 8.193 8.230 -0.000 0.000 0.415 9 L N 5.916 127.157 121.223 0.029 0.000 2.362 9 L HA 0.683 5.024 4.340 0.001 0.000 0.275 9 L C -1.200 175.658 176.870 -0.020 0.000 0.998 9 L CA -0.113 54.721 54.840 -0.010 0.000 0.820 9 L CB 1.671 43.723 42.059 -0.011 0.000 1.270 9 L HN 0.587 8.817 8.230 -0.000 0.000 0.415 10 I N 5.244 125.781 120.570 -0.056 0.000 2.474 10 I HA 0.373 4.543 4.170 0.001 0.000 0.294 10 I C -1.139 174.913 176.117 -0.109 0.000 1.005 10 I CA -0.793 60.467 61.300 -0.067 0.000 1.113 10 I CB 1.839 39.798 38.000 -0.068 0.000 1.289 10 I HN 0.335 8.545 8.210 -0.000 0.000 0.436 11 L N 5.348 126.514 121.223 -0.095 0.000 2.294 11 L HA 0.811 5.152 4.340 0.001 0.000 0.283 11 L C 0.172 176.975 176.870 -0.113 0.000 1.015 11 L CA -0.196 54.578 54.840 -0.109 0.000 0.831 11 L CB 0.837 42.865 42.059 -0.052 0.000 1.217 11 L HN 0.813 9.043 8.230 -0.000 0.000 0.420 12 G N 1.843 110.549 108.800 -0.156 0.000 2.764 12 G HA2 0.121 4.082 3.960 0.001 0.000 0.678 12 G HA3 0.121 4.082 3.960 0.001 0.000 0.678 12 G C -0.279 174.450 174.900 -0.285 0.000 1.341 12 G CA -0.309 44.695 45.100 -0.160 0.000 0.836 12 G HN 0.658 8.948 8.290 -0.000 0.000 0.632 13 S N 0.588 116.102 115.700 -0.311 0.000 2.624 13 S HA 0.642 5.112 4.470 0.001 0.000 0.246 13 S C 1.116 175.484 174.600 -0.386 0.000 1.072 13 S CA 0.590 58.417 58.200 -0.622 0.000 1.045 13 S CB 0.847 63.772 63.200 -0.458 0.000 0.851 13 S HN 1.724 10.034 8.310 -0.000 0.000 0.480 14 G N 2.159 110.847 108.800 -0.187 0.000 2.606 14 G HA2 0.525 4.486 3.960 0.001 0.000 0.262 14 G HA3 0.525 4.486 3.960 0.001 0.000 0.262 14 G C -1.961 172.972 174.900 0.054 0.000 1.394 14 G CA -1.783 43.314 45.100 -0.005 0.000 1.044 14 G HN 0.149 8.439 8.290 -0.000 0.000 0.553 15 P HA -0.075 4.345 4.420 -0.000 0.000 0.215 15 P C 2.171 179.534 177.300 0.106 0.000 1.157 15 P CA 2.368 65.531 63.100 0.106 0.000 0.868 15 P CB 0.035 31.791 31.700 0.093 0.000 0.788 16 A N -0.181 122.676 122.820 0.062 0.000 1.883 16 A HA -0.137 4.184 4.320 0.001 0.000 0.217 16 A C 2.508 180.094 177.584 0.003 0.000 1.186 16 A CA 2.321 54.379 52.037 0.035 0.000 0.624 16 A CB -1.949 17.063 19.000 0.020 0.000 0.822 16 A HN 0.280 8.430 8.150 -0.000 0.000 0.444 17 G N -1.762 107.003 108.800 -0.058 0.000 2.433 17 G HA2 -0.203 3.757 3.960 0.001 0.000 0.216 17 G HA3 -0.203 3.757 3.960 0.001 0.000 0.216 17 G C 1.479 176.322 174.900 -0.095 0.000 1.186 17 G CA 1.228 46.246 45.100 -0.136 0.000 0.779 17 G HN 0.482 8.772 8.290 -0.000 0.000 0.543 18 Y N 1.411 121.714 120.300 0.006 0.000 2.181 18 Y HA -0.079 4.472 4.550 0.002 0.000 0.288 18 Y C 3.366 179.270 175.900 0.007 0.000 1.146 18 Y CA 1.457 59.559 58.100 0.003 0.000 1.164 18 Y CB -0.946 37.523 38.460 0.014 0.000 0.982 18 Y HN 0.132 8.412 8.280 -0.000 0.000 0.515 19 T N -0.139 114.531 114.554 0.193 0.000 2.746 19 T HA -0.209 4.142 4.350 0.001 0.000 0.267 19 T C 2.215 177.005 174.700 0.150 0.000 1.039 19 T CA 1.345 63.545 62.100 0.166 0.000 1.142 19 T CB -0.635 68.329 68.868 0.159 0.000 0.866 19 T HN 0.419 8.659 8.240 -0.000 0.000 0.444 20 A N 1.355 124.221 122.820 0.077 0.000 1.933 20 A HA 0.136 4.456 4.320 0.001 0.000 0.218 20 A C 2.619 180.234 177.584 0.052 0.000 1.175 20 A CA 1.817 53.878 52.037 0.039 0.000 0.628 20 A CB -1.006 17.987 19.000 -0.012 0.000 0.814 20 A HN 0.513 8.663 8.150 -0.000 0.000 0.444 21 A N -0.059 122.794 122.820 0.056 0.000 1.873 21 A HA 0.006 4.326 4.320 0.001 0.000 0.215 21 A C 2.371 179.965 177.584 0.016 0.000 1.186 21 A CA 2.151 54.218 52.037 0.048 0.000 0.616 21 A CB -1.241 17.818 19.000 0.099 0.000 0.823 21 A HN 1.199 9.349 8.150 -0.000 0.000 0.442 22 V N -3.417 116.488 119.914 -0.016 0.000 2.427 22 V HA -0.219 3.901 4.120 0.001 0.000 0.248 22 V C 2.211 178.115 176.094 -0.316 0.000 1.051 22 V CA 1.971 64.153 62.300 -0.197 0.000 1.048 22 V CB -1.234 30.341 31.823 -0.415 0.000 0.666 22 V HN 0.494 8.684 8.190 -0.000 0.000 0.456 23 Y N 1.318 121.514 120.300 -0.175 0.000 2.263 23 Y HA 0.197 4.748 4.550 0.001 0.000 0.292 23 Y C 2.816 178.631 175.900 -0.143 0.000 1.130 23 Y CA 1.763 59.765 58.100 -0.163 0.000 1.179 23 Y CB -0.581 37.807 38.460 -0.121 0.000 0.998 23 Y HN 0.346 8.626 8.280 -0.000 0.000 0.532 24 A N -0.345 122.480 122.820 0.008 0.000 1.897 24 A HA -0.020 4.300 4.320 0.001 0.000 0.215 24 A C 2.386 179.939 177.584 -0.051 0.000 1.181 24 A CA 1.393 53.420 52.037 -0.017 0.000 0.620 24 A CB -1.135 17.862 19.000 -0.004 0.000 0.821 24 A HN 0.367 8.517 8.150 -0.000 0.000 0.443 25 A N 0.221 122.998 122.820 -0.072 0.000 1.877 25 A HA -0.158 4.162 4.320 0.001 0.000 0.216 25 A C 2.111 179.598 177.584 -0.162 0.000 1.186 25 A CA 1.411 53.412 52.037 -0.060 0.000 0.620 25 A CB -0.474 18.535 19.000 0.013 0.000 0.822 25 A HN 0.501 8.651 8.150 -0.000 0.000 0.443 26 R N -0.480 119.795 120.500 -0.375 0.000 2.339 26 R HA 0.140 4.481 4.340 0.001 0.000 0.199 26 R C 1.382 177.541 176.300 -0.235 0.000 1.018 26 R CA 0.560 56.388 56.100 -0.453 0.000 1.036 26 R CB -0.219 29.640 30.300 -0.734 0.000 0.899 26 R HN 0.492 8.762 8.270 -0.000 0.000 0.473 27 A N 0.670 123.404 122.820 -0.144 0.000 2.390 27 A HA 0.065 4.385 4.320 0.001 0.000 0.232 27 A C 0.479 178.038 177.584 -0.041 0.000 1.233 27 A CA -0.212 51.781 52.037 -0.073 0.000 0.907 27 A CB 0.178 19.154 19.000 -0.040 0.000 0.967 27 A HN 0.362 8.512 8.150 -0.000 0.000 0.512 28 N N -1.480 117.197 118.700 -0.039 0.000 2.815 28 N HA -0.134 4.607 4.740 0.001 0.000 0.249 28 N C 0.232 175.746 175.510 0.007 0.000 1.114 28 N CA 0.850 53.896 53.050 -0.006 0.000 0.717 28 N CB -1.931 36.555 38.487 -0.001 0.000 1.074 28 N HN 0.449 8.829 8.380 -0.000 0.000 0.555 29 L N 0.207 121.433 121.223 0.005 0.000 2.592 29 L HA 0.176 4.516 4.340 0.001 0.000 0.227 29 L C 0.608 177.495 176.870 0.028 0.000 1.127 29 L CA 0.098 54.950 54.840 0.019 0.000 0.884 29 L CB -0.081 41.987 42.059 0.016 0.000 1.065 29 L HN 0.268 8.498 8.230 -0.000 0.000 0.457 30 Q N 0.539 120.357 119.800 0.031 0.000 2.447 30 Q HA -0.157 4.183 4.340 0.001 0.000 0.348 30 Q C -2.111 173.911 176.000 0.037 0.000 1.421 30 Q CA -0.317 55.511 55.803 0.040 0.000 0.978 30 Q CB -1.294 27.471 28.738 0.046 0.000 1.191 30 Q HN 0.322 8.592 8.270 -0.000 0.000 0.371 31 P HA 0.198 4.618 4.420 -0.000 0.000 0.274 31 P C -0.327 176.984 177.300 0.019 0.000 1.231 31 P CA -0.159 62.953 63.100 0.021 0.000 0.790 31 P CB 1.195 32.904 31.700 0.015 0.000 0.951 32 V N 3.930 123.847 119.914 0.004 0.000 2.495 32 V HA 0.395 4.516 4.120 0.001 0.000 0.298 32 V C 0.222 176.285 176.094 -0.052 0.000 1.031 32 V CA -0.724 61.571 62.300 -0.008 0.000 0.871 32 V CB 1.586 33.412 31.823 0.005 0.000 0.988 32 V HN 0.480 8.670 8.190 -0.000 0.000 0.432 33 L N 5.743 126.923 121.223 -0.071 0.000 2.356 33 L HA 0.632 4.972 4.340 0.001 0.000 0.277 33 L C -0.937 175.826 176.870 -0.177 0.000 0.996 33 L CA -0.456 54.310 54.840 -0.124 0.000 0.822 33 L CB 1.290 43.279 42.059 -0.116 0.000 1.256 33 L HN 0.443 8.673 8.230 -0.000 0.000 0.413 34 I N 4.439 124.878 120.570 -0.218 0.000 2.325 34 I HA 0.133 4.304 4.170 0.001 0.000 0.291 34 I C 1.561 177.549 176.117 -0.214 0.000 1.019 34 I CA -0.095 61.061 61.300 -0.240 0.000 1.302 34 I CB 1.369 39.184 38.000 -0.308 0.000 1.401 34 I HN 0.782 8.992 8.210 -0.000 0.000 0.485 35 T N 2.621 117.042 114.554 -0.221 0.000 2.821 35 T HA 0.093 4.444 4.350 0.001 0.000 0.267 35 T C 1.036 175.687 174.700 -0.083 0.000 1.046 35 T CA 0.651 62.631 62.100 -0.199 0.000 1.139 35 T CB -0.197 68.516 68.868 -0.257 0.000 0.871 35 T HN 1.061 9.301 8.240 -0.000 0.000 0.454 36 G N 0.622 109.420 108.800 -0.003 0.000 2.757 36 G HA2 -0.176 3.785 3.960 0.001 0.000 0.638 36 G HA3 -0.176 3.785 3.960 0.001 0.000 0.638 36 G C 0.453 175.477 174.900 0.207 0.000 1.344 36 G CA -0.092 45.099 45.100 0.152 0.000 0.855 36 G HN 0.319 8.609 8.290 -0.000 0.000 0.537 37 M N -0.081 119.682 119.600 0.271 0.000 2.067 37 M HA 0.005 4.486 4.480 0.001 0.000 0.260 37 M C 1.554 177.904 176.300 0.083 0.000 1.069 37 M CA 2.004 57.355 55.300 0.084 0.000 1.117 37 M CB -0.182 32.381 32.600 -0.063 0.000 1.334 37 M HN 0.613 8.903 8.290 -0.000 0.000 0.407 38 E N 1.907 122.156 120.200 0.082 0.000 1.893 38 E HA 0.088 4.439 4.350 0.001 0.000 0.269 38 E C -0.971 175.671 176.600 0.071 0.000 1.129 38 E CA -0.294 56.148 56.400 0.070 0.000 0.904 38 E CB 0.353 30.092 29.700 0.064 0.000 1.077 38 E HN -0.020 8.340 8.360 -0.000 0.000 0.407 39 K N 2.322 122.774 120.400 0.086 0.000 2.382 39 K HA 0.204 4.525 4.320 0.001 0.000 0.286 39 K C 0.775 177.434 176.600 0.099 0.000 1.062 39 K CA 0.957 57.297 56.287 0.089 0.000 1.000 39 K CB 0.762 33.347 32.500 0.142 0.000 0.954 39 K HN 0.728 8.978 8.250 -0.000 0.000 0.470 40 G N 1.579 110.443 108.800 0.107 0.000 2.211 40 G HA2 -0.058 3.902 3.960 0.001 0.000 0.201 40 G HA3 -0.058 3.902 3.960 0.001 0.000 0.201 40 G C 0.620 175.577 174.900 0.094 0.000 0.997 40 G CA -0.062 45.125 45.100 0.146 0.000 0.652 40 G HN 1.102 9.392 8.290 -0.000 0.000 0.500 41 G N -0.105 108.733 108.800 0.063 0.000 2.645 41 G HA2 -0.180 3.781 3.960 0.001 0.000 0.246 41 G HA3 -0.180 3.781 3.960 0.001 0.000 0.246 41 G C 0.740 175.685 174.900 0.076 0.000 1.322 41 G CA 1.001 46.138 45.100 0.061 0.000 0.898 41 G HN 1.083 9.373 8.290 -0.000 0.000 0.573 42 Q N -0.589 119.264 119.800 0.088 0.000 2.152 42 Q HA -0.048 4.293 4.340 0.001 0.000 0.206 42 Q C 2.884 178.943 176.000 0.099 0.000 0.985 42 Q CA 1.716 57.583 55.803 0.107 0.000 0.863 42 Q CB -0.161 28.655 28.738 0.130 0.000 0.904 42 Q HN 0.553 8.823 8.270 -0.000 0.000 0.422 43 L N 0.684 121.958 121.223 0.085 0.000 2.189 43 L HA -0.203 4.137 4.340 0.001 0.000 0.214 43 L C 2.605 179.512 176.870 0.061 0.000 1.097 43 L CA 1.514 56.396 54.840 0.071 0.000 0.764 43 L CB -0.881 41.201 42.059 0.040 0.000 0.900 43 L HN 0.458 8.688 8.230 -0.000 0.000 0.436 44 T N -4.902 109.688 114.554 0.060 0.000 2.995 44 T HA -0.125 4.226 4.350 0.001 0.000 0.269 44 T C 1.619 176.346 174.700 0.044 0.000 1.091 44 T CA 1.204 63.333 62.100 0.048 0.000 1.128 44 T CB -0.604 68.294 68.868 0.049 0.000 0.891 44 T HN 0.451 8.691 8.240 -0.000 0.000 0.492 45 T N -1.444 113.145 114.554 0.058 0.000 3.169 45 T HA 0.255 4.606 4.350 0.001 0.000 0.250 45 T C 0.628 175.365 174.700 0.061 0.000 1.111 45 T CA -0.119 62.011 62.100 0.051 0.000 1.010 45 T CB -0.144 68.762 68.868 0.064 0.000 0.984 45 T HN 0.349 8.589 8.240 -0.000 0.000 0.537 46 T N 0.847 115.443 114.554 0.069 0.000 2.926 46 T HA 0.588 4.939 4.350 0.001 0.000 0.289 46 T C 0.874 175.608 174.700 0.057 0.000 1.054 46 T CA -0.029 62.120 62.100 0.081 0.000 1.015 46 T CB 1.956 70.896 68.868 0.119 0.000 1.167 46 T HN 0.409 8.649 8.240 -0.000 0.000 0.526 47 T N 0.497 115.083 114.554 0.054 0.000 2.757 47 T HA 0.436 4.787 4.350 0.001 0.000 0.179 47 T C 0.005 174.730 174.700 0.042 0.000 0.705 47 T CA -0.351 61.764 62.100 0.026 0.000 1.952 47 T CB -0.719 68.144 68.868 -0.009 0.000 2.670 47 T HN 0.503 8.743 8.240 -0.000 0.000 0.404 48 E N 0.907 121.116 120.200 0.015 0.000 2.344 48 E HA 0.490 4.841 4.350 0.001 0.000 0.270 48 E C -1.236 175.494 176.600 0.218 0.000 1.021 48 E CA -0.094 56.347 56.400 0.069 0.000 0.887 48 E CB 1.002 30.680 29.700 -0.035 0.000 0.997 48 E HN 0.350 8.710 8.360 -0.000 0.000 0.429 49 V N 3.813 123.864 119.914 0.227 0.000 2.380 49 V HA 0.156 4.276 4.120 0.001 0.000 0.286 49 V C 0.088 176.343 176.094 0.269 0.000 1.015 49 V CA -0.568 61.889 62.300 0.262 0.000 0.834 49 V CB 1.138 33.071 31.823 0.183 0.000 1.009 49 V HN 0.809 8.999 8.190 -0.000 0.000 0.428 50 E N 2.917 123.287 120.200 0.284 0.000 2.736 50 E HA 0.164 4.514 4.350 0.001 0.000 0.208 50 E C 0.249 176.924 176.600 0.124 0.000 0.996 50 E CA -0.275 56.248 56.400 0.205 0.000 1.104 50 E CB 0.175 30.007 29.700 0.221 0.000 1.111 50 E HN 0.656 9.016 8.360 -0.000 0.000 0.455 51 N N 0.461 119.253 118.700 0.154 0.000 2.241 51 N HA -0.031 4.710 4.740 0.001 0.000 0.238 51 N C -0.896 174.709 175.510 0.159 0.000 1.244 51 N CA -0.551 52.559 53.050 0.099 0.000 0.880 51 N CB -0.175 38.349 38.487 0.061 0.000 1.179 51 N HN 0.350 8.730 8.380 -0.000 0.000 0.513 52 W N 3.008 124.331 121.300 0.039 0.000 2.342 52 W HA 0.444 5.104 4.660 -0.000 0.000 0.310 52 W C -2.679 173.857 176.519 0.028 0.000 1.128 52 W CA -1.905 55.464 57.345 0.039 0.000 1.322 52 W CB 1.038 30.532 29.460 0.057 0.000 1.251 52 W HN -0.104 8.076 8.180 -0.000 0.000 0.439 53 P HA 0.015 4.435 4.420 -0.000 0.000 0.256 53 P C 0.645 177.747 177.300 -0.329 0.000 1.173 53 P CA 2.106 64.967 63.100 -0.398 0.000 0.768 53 P CB 0.225 31.637 31.700 -0.480 0.000 0.758 54 G N 2.704 111.435 108.800 -0.114 0.000 2.213 54 G HA2 -0.175 3.786 3.960 0.001 0.000 0.226 54 G HA3 -0.175 3.786 3.960 0.001 0.000 0.226 54 G C -0.023 174.925 174.900 0.080 0.000 0.992 54 G CA -0.368 44.720 45.100 -0.020 0.000 0.632 54 G HN 0.550 8.840 8.290 -0.000 0.000 0.511 55 D N 1.413 121.899 120.400 0.143 0.000 2.483 55 D HA 0.286 4.927 4.640 0.001 0.000 0.281 55 D C -1.108 175.279 176.300 0.145 0.000 1.174 55 D CA -0.843 53.270 54.000 0.188 0.000 0.938 55 D CB 1.530 42.519 40.800 0.315 0.000 1.002 55 D HN 0.241 8.611 8.370 -0.000 0.000 0.501 56 P HA -0.095 4.325 4.420 -0.000 0.000 0.218 56 P C 0.130 177.491 177.300 0.102 0.000 1.149 56 P CA 0.774 63.926 63.100 0.086 0.000 0.817 56 P CB 0.873 32.609 31.700 0.059 0.000 0.785 57 N N -0.047 118.711 118.700 0.096 0.000 2.312 57 N HA 0.088 4.828 4.740 0.001 0.000 0.296 57 N C -0.424 175.139 175.510 0.088 0.000 1.193 57 N CA -0.493 52.612 53.050 0.092 0.000 0.773 57 N CB 1.231 39.761 38.487 0.071 0.000 1.435 57 N HN -0.131 8.249 8.380 -0.000 0.000 0.484 58 D N 0.196 120.644 120.400 0.080 0.000 2.811 58 D HA -0.201 4.440 4.640 0.001 0.000 0.231 58 D C -0.417 175.922 176.300 0.065 0.000 1.157 58 D CA 0.735 54.774 54.000 0.064 0.000 0.716 58 D CB -0.976 39.853 40.800 0.049 0.000 1.077 58 D HN 0.291 8.661 8.370 -0.000 0.000 0.428 59 L N 0.477 121.752 121.223 0.086 0.000 2.331 59 L HA 0.614 4.955 4.340 0.001 0.000 0.275 59 L C 0.429 177.341 176.870 0.070 0.000 1.022 59 L CA 0.046 54.932 54.840 0.076 0.000 0.812 59 L CB 1.982 44.104 42.059 0.106 0.000 1.257 59 L HN 0.116 8.346 8.230 -0.000 0.000 0.435 60 T N 0.178 114.755 114.554 0.039 0.000 2.906 60 T HA 0.517 4.868 4.350 0.001 0.000 0.295 60 T C 0.884 175.593 174.700 0.015 0.000 1.075 60 T CA -0.270 61.852 62.100 0.036 0.000 1.005 60 T CB 1.346 70.227 68.868 0.022 0.000 1.136 60 T HN 0.672 8.912 8.240 -0.000 0.000 0.498 61 G N 1.159 109.977 108.800 0.030 0.000 2.491 61 G HA2 -0.093 3.867 3.960 0.001 0.000 0.218 61 G HA3 -0.093 3.867 3.960 0.001 0.000 0.218 61 G C -0.973 173.924 174.900 -0.004 0.000 1.180 61 G CA 1.004 46.113 45.100 0.015 0.000 0.774 61 G HN 0.647 8.937 8.290 -0.000 0.000 0.562 62 P HA -0.076 4.344 4.420 -0.000 0.000 0.215 62 P C 2.132 179.424 177.300 -0.013 0.000 1.157 62 P CA 0.811 63.913 63.100 0.004 0.000 0.874 62 P CB -0.137 31.567 31.700 0.007 0.000 0.790 63 L N -1.412 119.801 121.223 -0.017 0.000 2.046 63 L HA -0.162 4.179 4.340 0.001 0.000 0.208 63 L C 2.509 179.344 176.870 -0.057 0.000 1.077 63 L CA 1.170 55.995 54.840 -0.026 0.000 0.747 63 L CB -0.904 41.148 42.059 -0.012 0.000 0.896 63 L HN 0.046 8.276 8.230 -0.000 0.000 0.432 64 L N -0.625 120.540 121.223 -0.097 0.000 1.994 64 L HA -0.247 4.094 4.340 0.001 0.000 0.208 64 L C 2.704 179.476 176.870 -0.163 0.000 1.071 64 L CA 1.667 56.386 54.840 -0.202 0.000 0.745 64 L CB -0.169 41.692 42.059 -0.330 0.000 0.892 64 L HN 0.326 8.556 8.230 -0.000 0.000 0.431 65 M N -0.541 119.003 119.600 -0.093 0.000 2.159 65 M HA -0.224 4.256 4.480 0.001 0.000 0.263 65 M C 2.009 178.279 176.300 -0.050 0.000 1.063 65 M CA 1.338 56.621 55.300 -0.028 0.000 1.110 65 M CB -1.344 31.289 32.600 0.055 0.000 1.374 65 M HN 0.310 8.600 8.290 -0.000 0.000 0.411 66 E N 0.163 120.339 120.200 -0.039 0.000 2.077 66 E HA -0.198 4.152 4.350 0.001 0.000 0.193 66 E C 2.164 178.742 176.600 -0.037 0.000 0.989 66 E CA 1.164 57.546 56.400 -0.030 0.000 0.800 66 E CB 0.152 29.838 29.700 -0.022 0.000 0.746 66 E HN 0.439 8.799 8.360 -0.000 0.000 0.452 67 R N -0.424 120.043 120.500 -0.056 0.000 2.075 67 R HA -0.049 4.291 4.340 0.001 0.000 0.232 67 R C 2.544 178.807 176.300 -0.061 0.000 1.126 67 R CA 1.423 57.494 56.100 -0.048 0.000 0.963 67 R CB -0.111 30.165 30.300 -0.042 0.000 0.858 67 R HN 0.262 8.532 8.270 -0.000 0.000 0.435 68 M N -0.599 118.925 119.600 -0.126 0.000 2.080 68 M HA -0.208 4.272 4.480 0.001 0.000 0.260 68 M C 2.242 178.232 176.300 -0.516 0.000 1.068 68 M CA 1.807 56.988 55.300 -0.197 0.000 1.109 68 M CB -0.843 31.662 32.600 -0.159 0.000 1.342 68 M HN 0.265 8.555 8.290 -0.000 0.000 0.405 69 H N 0.213 118.780 119.070 -0.838 0.000 2.352 69 H HA -0.158 4.398 4.556 0.000 0.000 0.299 69 H C 2.063 177.195 175.328 -0.326 0.000 1.097 69 H CA 2.349 57.859 56.048 -0.896 0.000 1.311 69 H CB -0.053 29.414 29.762 -0.493 0.000 1.377 69 H HN 0.454 8.734 8.280 -0.000 0.000 0.504 70 E N -0.788 119.340 120.200 -0.120 0.000 2.077 70 E HA -0.279 4.072 4.350 0.001 0.000 0.193 70 E C 2.064 178.623 176.600 -0.067 0.000 0.989 70 E CA 1.235 57.595 56.400 -0.067 0.000 0.800 70 E CB -0.269 29.421 29.700 -0.016 0.000 0.746 70 E HN 0.766 9.126 8.360 -0.000 0.000 0.452 71 H N -0.821 118.168 119.070 -0.135 0.000 2.353 71 H HA -0.093 4.464 4.556 0.002 0.000 0.300 71 H C 1.995 177.328 175.328 0.009 0.000 1.090 71 H CA 1.173 57.199 56.048 -0.037 0.000 1.327 71 H CB 0.095 29.872 29.762 0.024 0.000 1.383 71 H HN 0.280 8.560 8.280 -0.000 0.000 0.508 72 A N -0.081 122.753 122.820 0.023 0.000 1.902 72 A HA -0.181 4.140 4.320 0.001 0.000 0.217 72 A C 2.492 180.064 177.584 -0.019 0.000 1.181 72 A CA 1.988 54.033 52.037 0.014 0.000 0.623 72 A CB -0.947 18.058 19.000 0.009 0.000 0.818 72 A HN 0.670 8.820 8.150 -0.000 0.000 0.443 73 T N -1.729 112.721 114.554 -0.173 0.000 2.904 73 T HA -0.080 4.270 4.350 0.001 0.000 0.267 73 T C 1.816 176.460 174.700 -0.093 0.000 1.059 73 T CA 1.358 63.375 62.100 -0.139 0.000 1.137 73 T CB -0.248 68.504 68.868 -0.193 0.000 0.879 73 T HN 0.532 8.772 8.240 -0.000 0.000 0.467 74 K N 0.486 120.805 120.400 -0.136 0.000 2.152 74 K HA -0.069 4.252 4.320 0.001 0.000 0.206 74 K C 0.573 176.911 176.600 -0.437 0.000 1.048 74 K CA 1.120 57.227 56.287 -0.302 0.000 0.933 74 K CB -0.290 31.953 32.500 -0.428 0.000 0.721 74 K HN 0.408 8.658 8.250 -0.000 0.000 0.447 75 F N 1.806 121.763 119.950 0.012 0.000 2.713 75 F HA 0.180 4.708 4.527 0.002 0.000 0.294 75 F C -0.343 175.455 175.800 -0.004 0.000 1.152 75 F CA -0.006 57.996 58.000 0.003 0.000 1.385 75 F CB -0.041 38.956 39.000 -0.005 0.000 0.981 75 F HN 0.090 8.390 8.300 -0.000 0.000 0.514 76 E N -0.589 119.652 120.200 0.068 0.000 2.389 76 E HA -0.192 4.158 4.350 0.001 0.000 0.243 76 E C -0.201 176.441 176.600 0.069 0.000 1.154 76 E CA 0.425 56.859 56.400 0.057 0.000 0.723 76 E CB -1.892 27.843 29.700 0.059 0.000 1.261 76 E HN 0.208 8.568 8.360 -0.000 0.000 0.390 77 T N 1.036 115.628 114.554 0.064 0.000 2.851 77 T HA 0.123 4.473 4.350 0.001 0.000 0.298 77 T C 0.337 175.062 174.700 0.042 0.000 0.977 77 T CA -0.269 61.864 62.100 0.055 0.000 1.126 77 T CB 1.051 69.953 68.868 0.056 0.000 0.916 77 T HN 0.212 8.451 8.240 -0.000 0.000 0.529 78 E N 3.915 124.142 120.200 0.045 0.000 2.003 78 E HA 0.123 4.473 4.350 0.001 0.000 0.279 78 E C -0.343 176.277 176.600 0.034 0.000 1.132 78 E CA -0.584 55.848 56.400 0.053 0.000 0.888 78 E CB 0.155 29.892 29.700 0.062 0.000 1.056 78 E HN 0.378 8.738 8.360 -0.000 0.000 0.399 79 I N 6.719 127.314 120.570 0.041 0.000 2.337 79 I HA 0.224 4.394 4.170 0.001 0.000 0.291 79 I C 0.246 176.336 176.117 -0.046 0.000 1.046 79 I CA -0.365 60.917 61.300 -0.031 0.000 1.324 79 I CB 0.476 38.474 38.000 -0.003 0.000 1.409 79 I HN 0.538 8.748 8.210 -0.000 0.000 0.494 80 I N 6.516 127.022 120.570 -0.108 0.000 2.362 80 I HA 0.260 4.430 4.170 0.001 0.000 0.289 80 I C -0.588 175.479 176.117 -0.083 0.000 0.994 80 I CA -0.634 60.673 61.300 0.012 0.000 1.158 80 I CB 1.290 39.324 38.000 0.057 0.000 1.315 80 I HN 0.253 8.463 8.210 -0.000 0.000 0.451 81 F N 5.074 125.072 119.950 0.080 0.000 2.464 81 F HA 0.318 4.845 4.527 0.000 0.000 0.353 81 F C 0.346 176.196 175.800 0.084 0.000 1.191 81 F CA 0.103 58.147 58.000 0.073 0.000 1.147 81 F CB -0.184 38.857 39.000 0.068 0.000 1.294 81 F HN 0.437 8.737 8.300 -0.000 0.000 0.583 82 D N 0.603 121.106 120.400 0.171 0.000 2.838 82 D HA 0.312 4.953 4.640 0.001 0.000 0.334 82 D C -1.759 174.636 176.300 0.159 0.000 1.315 82 D CA -0.772 53.333 54.000 0.175 0.000 0.917 82 D CB 1.407 42.325 40.800 0.198 0.000 1.435 82 D HN 0.406 8.776 8.370 -0.000 0.000 0.517 83 H N -0.133 118.963 119.070 0.044 0.000 3.099 83 H HA 0.433 4.990 4.556 0.001 0.000 0.342 83 H C -0.949 174.389 175.328 0.017 0.000 1.054 83 H CA -0.663 55.390 56.048 0.009 0.000 1.328 83 H CB 0.562 30.333 29.762 0.016 0.000 1.876 83 H HN 0.114 8.394 8.280 -0.000 0.000 0.495 84 I N 4.415 124.849 120.570 -0.226 0.000 2.471 84 I HA 0.017 4.188 4.170 0.001 0.000 0.286 84 I C 0.868 176.933 176.117 -0.087 0.000 1.079 84 I CA 0.018 61.252 61.300 -0.108 0.000 1.398 84 I CB 0.487 38.400 38.000 -0.144 0.000 1.403 84 I HN 0.805 9.015 8.210 -0.000 0.000 0.530 85 N N 4.549 123.257 118.700 0.013 0.000 2.184 85 N HA 0.126 4.867 4.740 0.001 0.000 0.206 85 N C -0.012 175.475 175.510 -0.038 0.000 1.151 85 N CA -0.321 52.737 53.050 0.014 0.000 0.878 85 N CB 0.779 39.304 38.487 0.064 0.000 1.014 85 N HN 0.621 9.001 8.380 -0.000 0.000 0.512 86 K N 0.032 120.406 120.400 -0.045 0.000 2.598 86 K HA 0.462 4.783 4.320 0.001 0.000 0.271 86 K C -2.006 174.583 176.600 -0.017 0.000 0.947 86 K CA -0.784 55.477 56.287 -0.043 0.000 0.854 86 K CB 1.854 34.350 32.500 -0.006 0.000 1.401 86 K HN -0.030 8.220 8.250 -0.000 0.000 0.415 87 V N -1.037 118.870 119.914 -0.011 0.000 3.188 87 V HA 0.731 4.851 4.120 0.001 0.000 0.305 87 V C -1.956 174.178 176.094 0.067 0.000 1.232 87 V CA -0.642 61.687 62.300 0.049 0.000 1.043 87 V CB 2.053 33.924 31.823 0.080 0.000 1.068 87 V HN 0.858 9.048 8.190 -0.000 0.000 0.439 88 D N 1.510 121.972 120.400 0.103 0.000 2.402 88 D HA 0.490 5.130 4.640 0.001 0.000 0.252 88 D C 0.019 176.418 176.300 0.165 0.000 1.294 88 D CA -0.317 53.748 54.000 0.110 0.000 0.948 88 D CB 1.385 42.246 40.800 0.101 0.000 1.202 88 D HN 0.646 9.016 8.370 -0.000 0.000 0.561 89 L N 2.406 123.706 121.223 0.129 0.000 2.700 89 L HA 0.203 4.544 4.340 0.001 0.000 0.234 89 L C 1.344 178.347 176.870 0.222 0.000 1.156 89 L CA -0.067 54.856 54.840 0.140 0.000 0.946 89 L CB 0.296 42.272 42.059 -0.139 0.000 1.216 89 L HN 0.281 8.511 8.230 -0.000 0.000 0.493 90 Q N 0.177 120.078 119.800 0.168 0.000 2.360 90 Q HA 0.200 4.541 4.340 0.001 0.000 0.202 90 Q C -0.260 175.819 176.000 0.130 0.000 0.915 90 Q CA 0.276 56.158 55.803 0.132 0.000 0.943 90 Q CB 0.375 29.161 28.738 0.079 0.000 1.064 90 Q HN 0.507 8.777 8.270 -0.000 0.000 0.511 91 N N 0.329 119.124 118.700 0.158 0.000 2.321 91 N HA 0.385 5.125 4.740 0.001 0.000 0.290 91 N C -0.984 174.542 175.510 0.027 0.000 1.212 91 N CA -0.730 52.371 53.050 0.086 0.000 0.767 91 N CB 1.505 40.034 38.487 0.070 0.000 1.494 91 N HN -0.246 8.134 8.380 -0.000 0.000 0.479 92 R N 1.429 121.894 120.500 -0.058 0.000 2.494 92 R HA 0.521 4.862 4.340 0.001 0.000 0.305 92 R C -2.206 174.043 176.300 -0.085 0.000 0.959 92 R CA -1.496 54.494 56.100 -0.183 0.000 0.864 92 R CB 0.519 30.710 30.300 -0.181 0.000 1.159 92 R HN 0.588 8.858 8.270 -0.000 0.000 0.446 93 P HA 0.286 4.706 4.420 -0.000 0.000 0.274 93 P C -0.490 176.754 177.300 -0.092 0.000 1.256 93 P CA -0.417 62.601 63.100 -0.135 0.000 0.795 93 P CB 0.436 32.211 31.700 0.126 0.000 1.038 94 F N 0.140 120.151 119.950 0.101 0.000 2.506 94 F HA 0.261 4.789 4.527 0.001 0.000 0.351 94 F C 1.558 177.414 175.800 0.093 0.000 1.136 94 F CA 0.236 58.282 58.000 0.077 0.000 1.298 94 F CB 0.104 39.137 39.000 0.055 0.000 1.145 94 F HN 0.074 8.374 8.300 -0.000 0.000 0.593 95 R N 2.722 123.394 120.500 0.285 0.000 2.476 95 R HA 0.662 5.002 4.340 0.001 0.000 0.305 95 R C -1.745 174.662 176.300 0.179 0.000 0.965 95 R CA -0.913 55.307 56.100 0.200 0.000 0.867 95 R CB 1.577 31.963 30.300 0.143 0.000 1.176 95 R HN 0.405 8.675 8.270 -0.000 0.000 0.447 96 L N 2.290 123.632 121.223 0.197 0.000 2.365 96 L HA 0.430 4.771 4.340 0.001 0.000 0.273 96 L C -0.442 176.561 176.870 0.222 0.000 1.000 96 L CA -0.709 54.241 54.840 0.185 0.000 0.819 96 L CB 1.784 43.950 42.059 0.178 0.000 1.284 96 L HN 0.461 8.691 8.230 -0.000 0.000 0.418 97 N N 0.854 119.643 118.700 0.148 0.000 2.424 97 N HA 0.716 5.456 4.740 0.001 0.000 0.271 97 N C -0.119 175.485 175.510 0.156 0.000 0.985 97 N CA -0.169 52.957 53.050 0.128 0.000 0.921 97 N CB 1.584 40.111 38.487 0.066 0.000 1.149 97 N HN 0.731 9.111 8.380 -0.000 0.000 0.492 98 G N 1.099 110.035 108.800 0.227 0.000 3.008 98 G HA2 0.174 4.134 3.960 0.001 0.000 0.181 98 G HA3 0.174 4.134 3.960 0.001 0.000 0.181 98 G C -0.118 174.875 174.900 0.155 0.000 1.309 98 G CA -0.242 45.006 45.100 0.247 0.000 1.009 98 G HN 0.569 8.859 8.290 -0.000 0.000 0.584 99 D N -0.553 119.944 120.400 0.162 0.000 2.379 99 D HA -0.001 4.639 4.640 0.001 0.000 0.218 99 D C 1.698 178.052 176.300 0.090 0.000 1.006 99 D CA 0.336 54.400 54.000 0.107 0.000 0.893 99 D CB 0.173 41.035 40.800 0.102 0.000 1.019 99 D HN 0.156 8.526 8.370 -0.000 0.000 0.503 100 N N 0.291 119.068 118.700 0.127 0.000 2.463 100 N HA 0.181 4.922 4.740 0.001 0.000 0.181 100 N C 1.006 176.519 175.510 0.004 0.000 1.078 100 N CA 0.588 53.693 53.050 0.093 0.000 0.902 100 N CB 1.201 39.784 38.487 0.160 0.000 0.970 100 N HN 0.211 8.591 8.380 -0.000 0.000 0.451 101 G N -0.569 108.200 108.800 -0.052 0.000 2.352 101 G HA2 0.034 3.995 3.960 0.001 0.000 0.283 101 G HA3 0.034 3.995 3.960 0.001 0.000 0.283 101 G C -1.890 172.799 174.900 -0.351 0.000 1.308 101 G CA -0.795 44.184 45.100 -0.201 0.000 0.892 101 G HN 0.066 8.356 8.290 -0.000 0.000 0.504 102 E N -0.872 119.087 120.200 -0.403 0.000 2.212 102 E HA 0.712 5.063 4.350 0.001 0.000 0.270 102 E C -1.383 174.886 176.600 -0.552 0.000 0.956 102 E CA -0.773 55.444 56.400 -0.304 0.000 0.825 102 E CB 1.397 31.038 29.700 -0.098 0.000 1.167 102 E HN 0.432 8.792 8.360 -0.000 0.000 0.400 103 Y N 0.121 120.459 120.300 0.062 0.000 2.524 103 Y HA 0.380 4.930 4.550 0.001 0.000 0.347 103 Y C -0.084 175.865 175.900 0.083 0.000 1.005 103 Y CA -0.844 57.295 58.100 0.065 0.000 1.025 103 Y CB 2.291 40.778 38.460 0.046 0.000 1.275 103 Y HN 0.474 8.754 8.280 -0.000 0.000 0.460 104 T N -1.048 113.644 114.554 0.231 0.000 2.907 104 T HA 0.840 5.190 4.350 0.001 0.000 0.292 104 T C -0.653 174.047 174.700 0.000 0.000 1.043 104 T CA -0.820 61.401 62.100 0.202 0.000 1.003 104 T CB 1.277 70.342 68.868 0.329 0.000 1.084 104 T HN 1.111 9.351 8.240 -0.000 0.000 0.483 105 C N 0.310 119.622 119.300 0.021 0.000 3.285 105 C HA 0.668 5.129 4.460 0.001 0.000 0.325 105 C C 0.314 175.319 174.990 0.025 0.000 1.304 105 C CA -0.783 58.172 59.018 -0.105 0.000 1.319 105 C CB 1.119 28.887 27.740 0.048 0.000 1.640 105 C HN 0.875 9.105 8.230 -0.000 0.000 0.477 106 D N 0.874 121.296 120.400 0.037 0.000 2.271 106 D HA 0.311 4.951 4.640 0.001 0.000 0.206 106 D C 0.723 177.195 176.300 0.287 0.000 0.967 106 D CA 1.399 55.452 54.000 0.089 0.000 0.867 106 D CB 0.672 41.552 40.800 0.134 0.000 0.960 106 D HN 1.014 9.384 8.370 -0.000 0.000 0.509 107 A N 0.608 123.644 122.820 0.359 0.000 2.488 107 A HA 0.560 4.881 4.320 0.001 0.000 0.298 107 A C -1.693 176.087 177.584 0.326 0.000 1.044 107 A CA -0.586 51.723 52.037 0.452 0.000 0.693 107 A CB 1.829 21.110 19.000 0.468 0.000 1.272 107 A HN 0.062 8.212 8.150 -0.000 0.000 0.402 108 L N 2.365 123.733 121.223 0.240 0.000 2.365 108 L HA 0.805 5.146 4.340 0.001 0.000 0.273 108 L C -1.285 175.638 176.870 0.089 0.000 1.000 108 L CA -0.457 54.431 54.840 0.081 0.000 0.819 108 L CB 1.472 43.465 42.059 -0.109 0.000 1.284 108 L HN 0.600 8.830 8.230 -0.000 0.000 0.418 109 I N 6.013 126.612 120.570 0.049 0.000 2.410 109 I HA 0.393 4.564 4.170 0.001 0.000 0.286 109 I C -0.688 175.407 176.117 -0.037 0.000 1.009 109 I CA -0.391 60.932 61.300 0.039 0.000 1.111 109 I CB 1.591 39.603 38.000 0.019 0.000 1.262 109 I HN 0.484 8.694 8.210 -0.000 0.000 0.443 110 I N 6.098 126.618 120.570 -0.084 0.000 2.304 110 I HA 0.418 4.588 4.170 0.001 0.000 0.291 110 I C 0.586 176.668 176.117 -0.059 0.000 1.018 110 I CA 0.049 61.286 61.300 -0.106 0.000 1.260 110 I CB 1.360 39.182 38.000 -0.297 0.000 1.390 110 I HN 0.685 8.895 8.210 -0.000 0.000 0.475 111 A N 3.596 126.396 122.820 -0.034 0.000 2.992 111 A HA 0.228 4.549 4.320 0.001 0.000 0.263 111 A C 1.047 178.624 177.584 -0.012 0.000 0.928 111 A CA -0.281 51.742 52.037 -0.023 0.000 1.061 111 A CB -0.374 18.602 19.000 -0.041 0.000 1.173 111 A HN 0.741 8.891 8.150 -0.000 0.000 0.482 112 T N -2.928 111.638 114.554 0.020 0.000 3.035 112 T HA 0.411 4.761 4.350 0.001 0.000 0.268 112 T C 1.285 176.010 174.700 0.042 0.000 1.109 112 T CA 1.065 63.184 62.100 0.031 0.000 1.119 112 T CB -0.299 68.617 68.868 0.080 0.000 0.900 112 T HN 2.131 10.371 8.240 -0.000 0.000 0.503 113 G N 0.691 109.521 108.800 0.050 0.000 2.760 113 G HA2 0.352 4.312 3.960 0.001 0.000 0.246 113 G HA3 0.352 4.312 3.960 0.001 0.000 0.246 113 G C -0.306 174.635 174.900 0.069 0.000 1.359 113 G CA -0.549 44.591 45.100 0.066 0.000 0.861 113 G HN 1.493 9.783 8.290 -0.000 0.000 0.541 114 A N -0.395 122.480 122.820 0.093 0.000 2.839 114 A HA 0.763 5.084 4.320 0.001 0.000 0.303 114 A C 0.151 177.843 177.584 0.180 0.000 1.181 114 A CA 0.890 52.987 52.037 0.101 0.000 0.808 114 A CB 0.484 19.559 19.000 0.125 0.000 1.391 114 A HN 1.864 10.014 8.150 -0.000 0.000 0.433 115 S N 0.873 116.677 115.700 0.173 0.000 2.593 115 S HA 0.594 5.064 4.470 0.001 0.000 0.269 115 S C 0.864 175.608 174.600 0.240 0.000 1.334 115 S CA 0.209 58.536 58.200 0.213 0.000 1.015 115 S CB 1.202 64.499 63.200 0.162 0.000 0.912 115 S HN 1.399 9.709 8.310 -0.000 0.000 0.541 116 A N 2.383 125.315 122.820 0.187 0.000 2.340 116 A HA 0.481 4.801 4.320 0.001 0.000 0.268 116 A C 0.240 177.748 177.584 -0.127 0.000 1.100 116 A CA -0.566 51.389 52.037 -0.137 0.000 0.803 116 A CB 0.328 19.135 19.000 -0.322 0.000 1.043 116 A HN 0.781 8.931 8.150 -0.000 0.000 0.488 117 R N 0.633 121.002 120.500 -0.218 0.000 2.404 117 R HA 0.484 4.825 4.340 0.001 0.000 0.291 117 R C -1.248 174.924 176.300 -0.214 0.000 1.025 117 R CA -0.106 55.945 56.100 -0.082 0.000 0.991 117 R CB 0.887 31.159 30.300 -0.047 0.000 1.053 117 R HN 0.763 9.033 8.270 -0.000 0.000 0.479 118 Y N 0.403 120.700 120.300 -0.005 0.000 2.654 118 Y HA 0.222 4.773 4.550 0.001 0.000 0.328 118 Y C 1.565 177.472 175.900 0.011 0.000 1.174 118 Y CA -0.738 57.365 58.100 0.005 0.000 1.293 118 Y CB 0.792 39.259 38.460 0.012 0.000 1.464 118 Y HN 0.340 8.620 8.280 -0.000 0.000 0.559 119 L N 0.303 121.649 121.223 0.205 0.000 2.313 119 L HA 0.111 4.452 4.340 0.001 0.000 0.214 119 L C 1.459 178.387 176.870 0.096 0.000 1.119 119 L CA 1.122 56.032 54.840 0.116 0.000 0.809 119 L CB -0.517 41.602 42.059 0.100 0.000 0.933 119 L HN 1.088 9.318 8.230 -0.000 0.000 0.449 120 G N -0.069 108.796 108.800 0.108 0.000 2.176 120 G HA2 -0.248 3.712 3.960 0.001 0.000 0.253 120 G HA3 -0.248 3.712 3.960 0.001 0.000 0.253 120 G C -0.002 174.920 174.900 0.037 0.000 0.979 120 G CA -0.312 44.825 45.100 0.060 0.000 0.641 120 G HN 0.086 8.376 8.290 -0.000 0.000 0.530 121 L N 0.625 121.875 121.223 0.046 0.000 2.417 121 L HA 0.431 4.772 4.340 0.001 0.000 0.268 121 L C -0.321 176.560 176.870 0.018 0.000 1.158 121 L CA -1.468 53.392 54.840 0.033 0.000 0.819 121 L CB 0.790 42.876 42.059 0.046 0.000 1.112 121 L HN -0.126 8.104 8.230 -0.000 0.000 0.458 122 P HA -0.113 4.307 4.420 -0.000 0.000 0.216 122 P C 1.521 178.814 177.300 -0.010 0.000 1.153 122 P CA 1.346 64.439 63.100 -0.011 0.000 0.848 122 P CB 0.228 31.921 31.700 -0.012 0.000 0.787 123 S N -0.076 115.642 115.700 0.030 0.000 2.368 123 S HA -0.228 4.242 4.470 0.001 0.000 0.225 123 S C 2.102 176.792 174.600 0.151 0.000 1.030 123 S CA 1.292 59.544 58.200 0.087 0.000 0.999 123 S CB -1.305 61.980 63.200 0.142 0.000 0.844 123 S HN 0.236 8.546 8.310 -0.000 0.000 0.459 124 E N 1.486 121.757 120.200 0.118 0.000 2.058 124 E HA -0.279 4.072 4.350 0.001 0.000 0.194 124 E C 2.112 178.743 176.600 0.051 0.000 0.997 124 E CA 1.576 58.050 56.400 0.123 0.000 0.801 124 E CB -0.289 29.472 29.700 0.102 0.000 0.746 124 E HN 0.582 8.943 8.360 -0.000 0.000 0.450 125 E N 0.538 120.725 120.200 -0.022 0.000 2.110 125 E HA -0.156 4.195 4.350 0.001 0.000 0.193 125 E C 1.752 178.281 176.600 -0.118 0.000 0.988 125 E CA 1.577 57.919 56.400 -0.097 0.000 0.804 125 E CB -0.390 29.255 29.700 -0.092 0.000 0.745 125 E HN 0.372 8.732 8.360 -0.000 0.000 0.458 126 A N -0.634 122.096 122.820 -0.150 0.000 1.972 126 A HA -0.100 4.221 4.320 0.001 0.000 0.219 126 A C 1.684 179.008 177.584 -0.433 0.000 1.169 126 A CA 1.244 53.088 52.037 -0.322 0.000 0.635 126 A CB -0.619 18.109 19.000 -0.453 0.000 0.810 126 A HN 0.345 8.495 8.150 -0.000 0.000 0.446 127 F N 0.203 120.127 119.950 -0.044 0.000 2.765 127 F HA 0.211 4.738 4.527 0.001 0.000 0.302 127 F C 0.736 176.512 175.800 -0.041 0.000 1.111 127 F CA -0.099 57.878 58.000 -0.039 0.000 1.359 127 F CB 0.053 39.031 39.000 -0.036 0.000 1.097 127 F HN -0.026 8.274 8.300 -0.000 0.000 0.577 128 K N 0.387 120.817 120.400 0.050 0.000 2.484 128 K HA 0.246 4.566 4.320 0.001 0.000 0.280 128 K C 1.301 177.919 176.600 0.029 0.000 1.013 128 K CA 0.953 57.248 56.287 0.014 0.000 1.029 128 K CB 0.085 32.523 32.500 -0.103 0.000 0.902 128 K HN 0.382 8.632 8.250 -0.000 0.000 0.481 129 G N 2.855 111.690 108.800 0.058 0.000 2.253 129 G HA2 -0.253 3.707 3.960 0.001 0.000 0.251 129 G HA3 -0.253 3.707 3.960 0.001 0.000 0.251 129 G C 0.478 175.410 174.900 0.053 0.000 0.998 129 G CA -0.237 44.892 45.100 0.050 0.000 0.621 129 G HN 0.531 8.821 8.290 -0.000 0.000 0.524 130 R N 0.189 120.747 120.500 0.097 0.000 2.834 130 R HA 0.516 4.857 4.340 0.001 0.000 0.362 130 R C 1.247 177.658 176.300 0.185 0.000 1.147 130 R CA 0.830 57.011 56.100 0.135 0.000 1.125 130 R CB 0.177 30.573 30.300 0.161 0.000 1.361 130 R HN 1.295 9.565 8.270 -0.000 0.000 0.598 131 G N -0.767 108.109 108.800 0.127 0.000 2.905 131 G HA2 -0.218 3.743 3.960 0.001 0.000 0.196 131 G HA3 -0.218 3.743 3.960 0.001 0.000 0.196 131 G C -0.310 174.515 174.900 -0.125 0.000 1.044 131 G CA -0.373 44.735 45.100 0.013 0.000 0.778 131 G HN 0.102 8.392 8.290 -0.000 0.000 0.474 132 V N 2.010 121.913 119.914 -0.017 0.000 2.407 132 V HA 0.743 4.863 4.120 0.001 0.000 0.278 132 V C 0.320 176.411 176.094 -0.006 0.000 1.037 132 V CA 0.470 62.747 62.300 -0.038 0.000 0.900 132 V CB 1.278 33.155 31.823 0.091 0.000 0.983 132 V HN 0.604 8.794 8.190 -0.000 0.000 0.459 133 S N 3.411 119.037 115.700 -0.124 0.000 2.661 133 S HA 0.815 5.286 4.470 0.001 0.000 0.285 133 S C 0.342 175.014 174.600 0.119 0.000 1.138 133 S CA 0.222 58.436 58.200 0.023 0.000 0.855 133 S CB 2.165 65.338 63.200 -0.045 0.000 1.136 133 S HN 0.887 9.197 8.310 -0.000 0.000 0.484 134 A N 0.575 123.523 122.820 0.213 0.000 2.508 134 A HA 0.453 4.774 4.320 0.001 0.000 0.250 134 A C 0.232 177.951 177.584 0.226 0.000 1.208 134 A CA -0.094 52.011 52.037 0.115 0.000 0.960 134 A CB -0.397 18.547 19.000 -0.093 0.000 1.099 134 A HN 0.773 8.923 8.150 -0.000 0.000 0.542 135 C N -0.240 119.266 119.300 0.343 0.000 2.442 135 C HA 0.650 5.111 4.460 0.001 0.000 0.335 135 C C 1.636 176.811 174.990 0.307 0.000 1.134 135 C CA -0.125 59.056 59.018 0.272 0.000 1.344 135 C CB 0.261 28.127 27.740 0.210 0.000 1.956 135 C HN 0.627 8.857 8.230 -0.000 0.000 0.438 136 A N 3.730 126.596 122.820 0.076 0.000 1.877 136 A HA -0.068 4.253 4.320 0.001 0.000 0.216 136 A C 2.066 179.635 177.584 -0.025 0.000 1.186 136 A CA 2.656 54.594 52.037 -0.164 0.000 0.620 136 A CB -0.999 17.845 19.000 -0.261 0.000 0.822 136 A HN 0.870 9.020 8.150 -0.000 0.000 0.443 137 T N -0.625 113.754 114.554 -0.293 0.000 2.778 137 T HA -0.217 4.133 4.350 0.001 0.000 0.269 137 T C 1.846 176.564 174.700 0.030 0.000 1.050 137 T CA 1.634 63.565 62.100 -0.283 0.000 1.137 137 T CB -0.707 67.954 68.868 -0.344 0.000 0.860 137 T HN 0.608 8.848 8.240 -0.000 0.000 0.468 138 C N 1.262 120.631 119.300 0.114 0.000 2.522 138 C HA 0.051 4.512 4.460 0.001 0.000 0.280 138 C C 2.191 177.336 174.990 0.259 0.000 1.303 138 C CA 0.132 59.263 59.018 0.189 0.000 1.709 138 C CB -0.493 27.387 27.740 0.232 0.000 2.071 138 C HN 0.569 8.799 8.230 -0.000 0.000 0.492 139 D N 0.081 120.741 120.400 0.433 0.000 2.433 139 D HA 0.100 4.741 4.640 0.001 0.000 0.211 139 D C 1.980 178.668 176.300 0.648 0.000 1.114 139 D CA 0.548 54.949 54.000 0.669 0.000 0.837 139 D CB -0.145 41.161 40.800 0.843 0.000 0.984 139 D HN 0.519 8.889 8.370 -0.000 0.000 0.505 140 G N 1.056 110.125 108.800 0.448 0.000 2.446 140 G HA2 -0.301 3.660 3.960 0.001 0.000 0.217 140 G HA3 -0.301 3.660 3.960 0.001 0.000 0.217 140 G C 1.282 176.369 174.900 0.313 0.000 1.168 140 G CA 0.209 45.533 45.100 0.374 0.000 0.771 140 G HN 0.173 8.463 8.290 -0.000 0.000 0.551 141 F N 0.710 120.634 119.950 -0.043 0.000 2.333 141 F HA 0.094 4.622 4.527 0.000 0.000 0.300 141 F C 2.004 177.728 175.800 -0.127 0.000 1.083 141 F CA 0.123 58.043 58.000 -0.132 0.000 1.395 141 F CB -0.177 38.685 39.000 -0.229 0.000 1.056 141 F HN 0.102 8.402 8.300 -0.000 0.000 0.529 142 F N -1.670 118.280 119.950 0.000 0.000 2.293 142 F HA -0.157 4.371 4.527 0.001 0.000 0.300 142 F C 1.297 176.770 175.800 -0.545 0.000 1.086 142 F CA 0.954 58.764 58.000 -0.316 0.000 1.375 142 F CB -1.219 37.521 39.000 -0.433 0.000 1.045 142 F HN -0.054 8.246 8.300 -0.000 0.000 0.516 143 Y N -0.325 120.112 120.300 0.229 0.000 2.708 143 Y HA 0.245 4.796 4.550 0.002 0.000 0.287 143 Y C 0.982 176.897 175.900 0.025 0.000 1.145 143 Y CA -0.987 57.203 58.100 0.150 0.000 1.249 143 Y CB -0.560 38.055 38.460 0.258 0.000 1.152 143 Y HN -0.208 8.072 8.280 -0.000 0.000 0.532 144 R N 1.590 122.048 120.500 -0.070 0.000 2.502 144 R HA -0.082 4.259 4.340 0.001 0.000 0.292 144 R C 0.204 176.460 176.300 -0.074 0.000 0.998 144 R CA 0.873 56.867 56.100 -0.176 0.000 1.056 144 R CB -0.286 29.677 30.300 -0.561 0.000 0.939 144 R HN 0.658 8.928 8.270 -0.000 0.000 0.411 145 N N 1.524 120.208 118.700 -0.028 0.000 2.741 145 N HA -0.237 4.504 4.740 0.001 0.000 0.251 145 N C -1.137 174.396 175.510 0.038 0.000 1.112 145 N CA 1.020 54.069 53.050 -0.002 0.000 0.750 145 N CB -0.419 38.053 38.487 -0.025 0.000 1.119 145 N HN 0.691 9.071 8.380 -0.000 0.000 0.561 146 Q N 0.064 119.916 119.800 0.086 0.000 2.416 146 Q HA 0.418 4.758 4.340 0.001 0.000 0.279 146 Q C -0.490 175.587 176.000 0.129 0.000 1.101 146 Q CA -0.927 54.949 55.803 0.121 0.000 0.830 146 Q CB 1.818 30.674 28.738 0.197 0.000 1.402 146 Q HN 0.061 8.331 8.270 -0.000 0.000 0.445 147 K N 0.825 121.297 120.400 0.120 0.000 2.350 147 K HA 0.422 4.742 4.320 0.001 0.000 0.279 147 K C -0.753 175.928 176.600 0.134 0.000 1.027 147 K CA -0.135 56.239 56.287 0.146 0.000 0.969 147 K CB 0.902 33.497 32.500 0.159 0.000 0.954 147 K HN 0.208 8.458 8.250 -0.000 0.000 0.474 148 V N 1.014 121.039 119.914 0.185 0.000 3.049 148 V HA 0.629 4.749 4.120 0.001 0.000 0.309 148 V C -1.158 175.080 176.094 0.240 0.000 1.148 148 V CA -0.884 61.513 62.300 0.162 0.000 0.990 148 V CB 2.145 34.092 31.823 0.207 0.000 1.039 148 V HN 0.935 9.125 8.190 -0.000 0.000 0.430 149 A N 2.574 125.512 122.820 0.197 0.000 2.401 149 A HA 0.952 5.272 4.320 0.001 0.000 0.310 149 A C -1.449 176.284 177.584 0.248 0.000 1.075 149 A CA -0.578 51.584 52.037 0.209 0.000 0.746 149 A CB 2.013 21.068 19.000 0.092 0.000 1.277 149 A HN 0.765 8.915 8.150 -0.000 0.000 0.425 150 V N 2.506 122.554 119.914 0.224 0.000 2.638 150 V HA 0.509 4.629 4.120 0.001 0.000 0.306 150 V C -0.665 175.539 176.094 0.183 0.000 1.052 150 V CA -0.325 62.106 62.300 0.218 0.000 0.885 150 V CB 1.696 33.614 31.823 0.158 0.000 0.999 150 V HN 0.840 9.030 8.190 -0.000 0.000 0.424 151 I N 3.489 124.155 120.570 0.159 0.000 2.406 151 I HA 0.918 5.088 4.170 0.001 0.000 0.290 151 I C 0.210 176.403 176.117 0.127 0.000 0.999 151 I CA 0.323 61.716 61.300 0.155 0.000 1.124 151 I CB 1.492 39.566 38.000 0.122 0.000 1.289 151 I HN 0.853 9.063 8.210 -0.000 0.000 0.441 152 G N 3.590 112.478 108.800 0.146 0.000 2.315 152 G HA2 0.421 4.381 3.960 0.001 0.000 0.294 152 G HA3 0.421 4.381 3.960 0.001 0.000 0.294 152 G C -0.518 174.293 174.900 -0.148 0.000 1.300 152 G CA -0.070 45.057 45.100 0.045 0.000 0.843 152 G HN 0.810 9.100 8.290 -0.000 0.000 0.527 153 G N -1.239 107.323 108.800 -0.398 0.000 4.956 153 G HA2 0.669 4.629 3.960 0.001 0.000 0.263 153 G HA3 0.669 4.629 3.960 0.001 0.000 0.263 153 G C 0.327 175.096 174.900 -0.219 0.000 0.958 153 G CA 1.137 45.688 45.100 -0.916 0.000 0.749 153 G HN 1.505 9.795 8.290 -0.000 0.000 0.356 154 G N -0.295 108.487 108.800 -0.030 0.000 3.135 154 G HA2 0.358 4.319 3.960 0.001 0.000 0.278 154 G HA3 0.358 4.319 3.960 0.001 0.000 0.278 154 G C 0.503 175.425 174.900 0.036 0.000 1.302 154 G CA -0.297 44.819 45.100 0.025 0.000 0.880 154 G HN -0.070 8.220 8.290 -0.000 0.000 0.574 155 N N -0.053 118.663 118.700 0.027 0.000 2.036 155 N HA -0.156 4.584 4.740 0.001 0.000 0.195 155 N C 2.351 177.865 175.510 0.007 0.000 1.037 155 N CA 2.183 55.241 53.050 0.013 0.000 0.855 155 N CB -0.642 37.853 38.487 0.013 0.000 1.033 155 N HN 0.480 8.860 8.380 -0.000 0.000 0.423 156 T N 1.574 116.143 114.554 0.024 0.000 2.665 156 T HA -0.159 4.192 4.350 0.001 0.000 0.268 156 T C 2.071 176.781 174.700 0.017 0.000 1.035 156 T CA 1.701 63.821 62.100 0.035 0.000 1.151 156 T CB -0.431 68.477 68.868 0.067 0.000 0.862 156 T HN 0.393 8.633 8.240 -0.000 0.000 0.438 157 A N 1.066 123.894 122.820 0.013 0.000 1.855 157 A HA -0.023 4.297 4.320 0.001 0.000 0.215 157 A C 2.652 180.214 177.584 -0.037 0.000 1.191 157 A CA 1.514 53.558 52.037 0.012 0.000 0.613 157 A CB -1.090 17.936 19.000 0.044 0.000 0.829 157 A HN 0.344 8.494 8.150 -0.000 0.000 0.442 158 V N 0.324 120.191 119.914 -0.078 0.000 2.332 158 V HA -0.305 3.816 4.120 0.001 0.000 0.248 158 V C 2.391 178.431 176.094 -0.090 0.000 1.055 158 V CA 2.378 64.585 62.300 -0.155 0.000 1.038 158 V CB -1.015 30.712 31.823 -0.160 0.000 0.651 158 V HN 0.633 8.823 8.190 -0.000 0.000 0.450 159 E N -0.389 119.782 120.200 -0.049 0.000 2.077 159 E HA -0.211 4.140 4.350 0.001 0.000 0.193 159 E C 2.361 178.955 176.600 -0.010 0.000 0.989 159 E CA 1.219 57.602 56.400 -0.030 0.000 0.800 159 E CB -0.113 29.567 29.700 -0.033 0.000 0.746 159 E HN 0.593 8.953 8.360 -0.000 0.000 0.452 160 E N 0.443 120.632 120.200 -0.019 0.000 2.047 160 E HA -0.164 4.187 4.350 0.001 0.000 0.191 160 E C 2.110 178.701 176.600 -0.014 0.000 0.987 160 E CA 0.995 57.384 56.400 -0.019 0.000 0.799 160 E CB -0.257 29.435 29.700 -0.014 0.000 0.752 160 E HN 0.231 8.591 8.360 -0.000 0.000 0.449 161 A N 1.327 124.125 122.820 -0.038 0.000 1.883 161 A HA -0.177 4.144 4.320 0.001 0.000 0.217 161 A C 2.235 179.788 177.584 -0.053 0.000 1.186 161 A CA 1.185 53.188 52.037 -0.056 0.000 0.624 161 A CB -0.574 18.363 19.000 -0.104 0.000 0.822 161 A HN 0.145 8.295 8.150 -0.000 0.000 0.444 162 L N -1.834 119.362 121.223 -0.044 0.000 2.042 162 L HA -0.158 4.182 4.340 0.001 0.000 0.210 162 L C 2.382 179.250 176.870 -0.003 0.000 1.076 162 L CA 2.042 56.862 54.840 -0.034 0.000 0.749 162 L CB -1.357 40.685 42.059 -0.028 0.000 0.893 162 L HN 0.631 8.861 8.230 -0.000 0.000 0.432 163 Y N -1.397 118.851 120.300 -0.087 0.000 2.293 163 Y HA -0.189 4.361 4.550 0.001 0.000 0.291 163 Y C 2.172 178.021 175.900 -0.085 0.000 1.137 163 Y CA 1.119 59.171 58.100 -0.080 0.000 1.202 163 Y CB 0.133 38.541 38.460 -0.087 0.000 0.990 163 Y HN 0.051 8.331 8.280 -0.000 0.000 0.537 164 L N 0.007 121.200 121.223 -0.050 0.000 2.240 164 L HA -0.080 4.261 4.340 0.001 0.000 0.211 164 L C 2.488 179.287 176.870 -0.119 0.000 1.106 164 L CA 1.784 56.553 54.840 -0.120 0.000 0.793 164 L CB -1.455 40.536 42.059 -0.114 0.000 0.927 164 L HN 0.412 8.642 8.230 -0.000 0.000 0.446 165 S N -1.334 114.304 115.700 -0.104 0.000 2.595 165 S HA -0.094 4.377 4.470 0.001 0.000 0.235 165 S C 1.119 175.662 174.600 -0.095 0.000 0.974 165 S CA 0.992 59.138 58.200 -0.090 0.000 0.942 165 S CB -0.676 62.474 63.200 -0.083 0.000 0.766 165 S HN 0.591 8.901 8.310 -0.000 0.000 0.536 166 N N -0.088 118.531 118.700 -0.135 0.000 2.171 166 N HA 0.445 5.186 4.740 0.001 0.000 0.212 166 N C 0.824 176.272 175.510 -0.102 0.000 1.184 166 N CA 0.052 53.030 53.050 -0.119 0.000 0.888 166 N CB 0.497 38.893 38.487 -0.151 0.000 1.038 166 N HN 0.368 8.748 8.380 -0.000 0.000 0.517 167 I N -0.382 120.126 120.570 -0.104 0.000 3.873 167 I HA 0.291 4.462 4.170 0.001 0.000 0.284 167 I C 0.701 176.808 176.117 -0.017 0.000 1.186 167 I CA -0.154 61.120 61.300 -0.044 0.000 1.362 167 I CB 0.129 38.102 38.000 -0.046 0.000 1.432 167 I HN -0.007 8.203 8.210 -0.000 0.000 0.454 168 A N 0.908 123.725 122.820 -0.005 0.000 2.287 168 A HA 0.339 4.659 4.320 0.001 0.000 0.273 168 A C 1.297 178.887 177.584 0.011 0.000 1.091 168 A CA 0.268 52.327 52.037 0.036 0.000 0.817 168 A CB 0.391 19.430 19.000 0.066 0.000 1.069 168 A HN 0.344 8.494 8.150 -0.000 0.000 0.492 169 S N -0.422 115.295 115.700 0.028 0.000 2.461 169 S HA 0.125 4.595 4.470 0.001 0.000 0.228 169 S C 0.398 174.998 174.600 -0.000 0.000 1.005 169 S CA 0.858 59.066 58.200 0.014 0.000 0.942 169 S CB -0.134 63.083 63.200 0.028 0.000 0.776 169 S HN 0.730 9.040 8.310 -0.000 0.000 0.514 170 E N -0.418 119.785 120.200 0.004 0.000 2.375 170 E HA 0.563 4.914 4.350 0.001 0.000 0.280 170 E C -2.082 174.476 176.600 -0.071 0.000 0.972 170 E CA -0.745 55.617 56.400 -0.064 0.000 0.782 170 E CB 2.722 32.392 29.700 -0.050 0.000 1.229 170 E HN 0.023 8.383 8.360 -0.000 0.000 0.439 171 V N 2.668 122.471 119.914 -0.185 0.000 2.482 171 V HA 0.259 4.380 4.120 0.001 0.000 0.295 171 V C -0.878 175.108 176.094 -0.180 0.000 1.026 171 V CA -0.805 61.435 62.300 -0.099 0.000 0.856 171 V CB 1.389 33.173 31.823 -0.066 0.000 1.001 171 V HN 0.630 8.820 8.190 -0.000 0.000 0.424 172 H N 5.404 124.542 119.070 0.114 0.000 2.685 172 H HA 0.399 4.955 4.556 0.001 0.000 0.286 172 H C -0.421 175.037 175.328 0.217 0.000 1.102 172 H CA -0.318 55.860 56.048 0.218 0.000 1.254 172 H CB 1.916 31.837 29.762 0.265 0.000 1.397 172 H HN 0.437 8.717 8.280 -0.000 0.000 0.473 173 L N 5.418 126.793 121.223 0.252 0.000 2.290 173 L HA 0.308 4.649 4.340 0.001 0.000 0.284 173 L C -0.239 176.875 176.870 0.407 0.000 1.078 173 L CA -0.405 54.573 54.840 0.230 0.000 0.815 173 L CB 0.461 42.529 42.059 0.014 0.000 1.162 173 L HN 0.461 8.691 8.230 -0.000 0.000 0.435 174 I N 3.606 124.404 120.570 0.380 0.000 2.465 174 I HA 0.397 4.568 4.170 0.001 0.000 0.291 174 I C -0.843 175.493 176.117 0.364 0.000 1.014 174 I CA -0.676 60.836 61.300 0.353 0.000 1.093 174 I CB 1.774 39.903 38.000 0.214 0.000 1.267 174 I HN 0.511 8.721 8.210 -0.000 0.000 0.431 175 H N 4.507 123.645 119.070 0.112 0.000 3.046 175 H HA 0.376 4.933 4.556 0.001 0.000 0.363 175 H C 0.151 175.435 175.328 -0.073 0.000 1.203 175 H CA -1.269 54.753 56.048 -0.043 0.000 1.169 175 H CB 1.854 31.408 29.762 -0.347 0.000 1.851 175 H HN 0.601 8.881 8.280 -0.000 0.000 0.546 176 R N 1.969 122.207 120.500 -0.438 0.000 2.189 176 R HA 0.135 4.475 4.340 0.001 0.000 0.218 176 R C 0.162 176.179 176.300 -0.471 0.000 1.074 176 R CA 0.380 56.258 56.100 -0.371 0.000 0.991 176 R CB 0.209 30.351 30.300 -0.263 0.000 0.883 176 R HN 0.157 8.427 8.270 -0.000 0.000 0.457 177 R N 1.100 121.076 120.500 -0.872 0.000 2.541 177 R HA 0.046 4.387 4.340 0.001 0.000 0.263 177 R C 0.321 176.437 176.300 -0.307 0.000 1.112 177 R CA -0.286 55.515 56.100 -0.498 0.000 1.170 177 R CB 0.466 30.503 30.300 -0.439 0.000 1.167 177 R HN 0.057 8.327 8.270 -0.000 0.000 0.582 178 D N -0.891 119.402 120.400 -0.178 0.000 2.289 178 D HA 0.057 4.698 4.640 0.001 0.000 0.207 178 D C 0.481 176.719 176.300 -0.104 0.000 0.966 178 D CA 0.776 54.711 54.000 -0.108 0.000 0.868 178 D CB 0.304 41.070 40.800 -0.057 0.000 0.943 178 D HN 0.585 8.955 8.370 -0.000 0.000 0.514 179 G N -1.625 107.098 108.800 -0.128 0.000 2.818 179 G HA2 0.518 4.478 3.960 0.001 0.000 0.286 179 G HA3 0.518 4.478 3.960 0.001 0.000 0.286 179 G C -1.388 173.379 174.900 -0.222 0.000 1.364 179 G CA -0.778 44.272 45.100 -0.083 0.000 0.938 179 G HN 0.021 8.311 8.290 -0.000 0.000 0.490 180 F N -0.464 119.539 119.950 0.088 0.000 2.458 180 F HA 0.555 5.083 4.527 0.001 0.000 0.336 180 F C 0.467 176.278 175.800 0.018 0.000 1.114 180 F CA -0.814 57.207 58.000 0.035 0.000 0.987 180 F CB 2.422 41.416 39.000 -0.010 0.000 1.130 180 F HN 0.053 8.353 8.300 -0.000 0.000 0.458 181 R N 2.477 123.060 120.500 0.138 0.000 2.870 181 R HA 0.637 4.978 4.340 0.001 0.000 0.254 181 R C -0.622 175.726 176.300 0.080 0.000 1.392 181 R CA -0.283 55.871 56.100 0.090 0.000 1.322 181 R CB 0.194 30.530 30.300 0.061 0.000 1.205 181 R HN 0.659 8.929 8.270 -0.000 0.000 0.597 182 A N 0.967 123.838 122.820 0.085 0.000 2.485 182 A HA 0.467 4.788 4.320 0.001 0.000 0.292 182 A C -0.804 176.801 177.584 0.035 0.000 1.147 182 A CA -1.016 51.052 52.037 0.051 0.000 0.750 182 A CB 0.955 19.980 19.000 0.042 0.000 1.331 182 A HN 0.588 8.738 8.150 -0.000 0.000 0.419 183 E N 0.727 120.938 120.200 0.019 0.000 2.366 183 E HA 0.106 4.457 4.350 0.001 0.000 0.266 183 E C 0.184 176.790 176.600 0.009 0.000 1.015 183 E CA -0.101 56.306 56.400 0.012 0.000 0.906 183 E CB 0.600 30.303 29.700 0.005 0.000 0.979 183 E HN 0.590 8.950 8.360 -0.000 0.000 0.443 184 K N 3.367 123.774 120.400 0.012 0.000 2.192 184 K HA -0.297 4.024 4.320 0.001 0.000 0.214 184 K C 1.529 178.130 176.600 0.001 0.000 1.046 184 K CA 2.351 58.643 56.287 0.009 0.000 0.937 184 K CB -1.026 31.479 32.500 0.008 0.000 0.734 184 K HN 0.682 8.932 8.250 -0.000 0.000 0.473 185 I N -0.218 120.349 120.570 -0.004 0.000 2.163 185 I HA -0.221 3.949 4.170 0.001 0.000 0.240 185 I C 2.036 178.143 176.117 -0.017 0.000 1.081 185 I CA 0.999 62.293 61.300 -0.010 0.000 1.353 185 I CB -0.327 37.666 38.000 -0.011 0.000 1.054 185 I HN 0.019 8.229 8.210 -0.000 0.000 0.407 186 L N 0.422 121.634 121.223 -0.019 0.000 2.079 186 L HA -0.232 4.108 4.340 0.001 0.000 0.210 186 L C 2.365 179.210 176.870 -0.043 0.000 1.081 186 L CA 1.742 56.562 54.840 -0.033 0.000 0.752 186 L CB -0.784 41.255 42.059 -0.033 0.000 0.896 186 L HN 0.210 8.440 8.230 -0.000 0.000 0.433 187 I N -0.496 120.060 120.570 -0.023 0.000 2.315 187 I HA -0.266 3.904 4.170 0.001 0.000 0.248 187 I C 2.450 178.555 176.117 -0.019 0.000 1.117 187 I CA 1.162 62.452 61.300 -0.016 0.000 1.404 187 I CB -0.977 37.037 38.000 0.022 0.000 1.071 187 I HN 0.410 8.620 8.210 -0.000 0.000 0.419 188 K N 0.903 121.294 120.400 -0.014 0.000 2.001 188 K HA -0.155 4.166 4.320 0.001 0.000 0.208 188 K C 2.343 178.928 176.600 -0.026 0.000 1.048 188 K CA 1.105 57.384 56.287 -0.015 0.000 0.932 188 K CB 0.013 32.507 32.500 -0.011 0.000 0.715 188 K HN 0.074 8.324 8.250 -0.000 0.000 0.437 189 R N 0.732 121.213 120.500 -0.032 0.000 2.081 189 R HA -0.135 4.205 4.340 0.001 0.000 0.235 189 R C 2.428 178.695 176.300 -0.055 0.000 1.131 189 R CA 1.095 57.171 56.100 -0.039 0.000 0.960 189 R CB -0.808 29.470 30.300 -0.038 0.000 0.856 189 R HN 0.287 8.557 8.270 -0.000 0.000 0.436 190 L N 0.855 122.035 121.223 -0.072 0.000 2.012 190 L HA -0.168 4.173 4.340 0.001 0.000 0.210 190 L C 2.165 178.984 176.870 -0.084 0.000 1.073 190 L CA 1.819 56.596 54.840 -0.106 0.000 0.748 190 L CB -0.427 41.535 42.059 -0.162 0.000 0.891 190 L HN 0.059 8.289 8.230 -0.000 0.000 0.431 191 M N -0.699 118.867 119.600 -0.057 0.000 2.296 191 M HA -0.143 4.337 4.480 0.001 0.000 0.265 191 M C 1.823 178.102 176.300 -0.035 0.000 1.064 191 M CA 1.147 56.425 55.300 -0.036 0.000 1.109 191 M CB -1.388 31.203 32.600 -0.014 0.000 1.396 191 M HN 0.294 8.584 8.290 -0.000 0.000 0.430 192 D N 0.545 120.923 120.400 -0.036 0.000 2.097 192 D HA -0.110 4.530 4.640 0.001 0.000 0.197 192 D C 1.891 178.168 176.300 -0.039 0.000 0.984 192 D CA 1.173 55.154 54.000 -0.032 0.000 0.826 192 D CB -0.183 40.599 40.800 -0.030 0.000 0.973 192 D HN 0.345 8.715 8.370 -0.000 0.000 0.460 193 K N 0.190 120.560 120.400 -0.050 0.000 2.362 193 K HA -0.005 4.316 4.320 0.001 0.000 0.200 193 K C 1.905 178.467 176.600 -0.063 0.000 1.046 193 K CA 0.173 56.425 56.287 -0.058 0.000 0.952 193 K CB 0.388 32.847 32.500 -0.069 0.000 0.753 193 K HN 0.006 8.256 8.250 -0.000 0.000 0.466 194 V N 1.076 120.954 119.914 -0.060 0.000 2.374 194 V HA -0.127 3.994 4.120 0.001 0.000 0.241 194 V C 2.025 178.094 176.094 -0.043 0.000 1.034 194 V CA 1.285 63.550 62.300 -0.059 0.000 1.037 194 V CB -0.173 31.618 31.823 -0.054 0.000 0.682 194 V HN 0.199 8.389 8.190 -0.000 0.000 0.463 195 E N 1.957 122.138 120.200 -0.032 0.000 2.130 195 E HA -0.151 4.199 4.350 0.001 0.000 0.196 195 E C 0.708 177.294 176.600 -0.024 0.000 0.998 195 E CA 1.503 57.889 56.400 -0.023 0.000 0.806 195 E CB -0.299 29.391 29.700 -0.018 0.000 0.738 195 E HN 0.847 9.207 8.360 -0.000 0.000 0.459 196 N N -0.924 117.759 118.700 -0.028 0.000 2.666 196 N HA 0.277 5.018 4.740 0.001 0.000 0.253 196 N C -0.010 175.481 175.510 -0.032 0.000 1.621 196 N CA 0.115 53.150 53.050 -0.026 0.000 0.785 196 N CB 1.014 39.488 38.487 -0.021 0.000 1.332 196 N HN 0.048 8.428 8.380 -0.000 0.000 0.514 197 G N 0.419 109.195 108.800 -0.040 0.000 2.578 197 G HA2 0.121 4.082 3.960 0.001 0.000 0.302 197 G HA3 0.121 4.082 3.960 0.001 0.000 0.302 197 G C -0.619 174.246 174.900 -0.058 0.000 1.243 197 G CA -0.645 44.427 45.100 -0.046 0.000 0.843 197 G HN 0.166 8.456 8.290 -0.000 0.000 0.486 198 N N -0.756 117.905 118.700 -0.065 0.000 2.550 198 N HA 0.073 4.813 4.740 0.001 0.000 0.186 198 N C 0.103 175.545 175.510 -0.114 0.000 1.110 198 N CA 0.267 53.269 53.050 -0.079 0.000 0.912 198 N CB -0.083 38.362 38.487 -0.070 0.000 0.968 198 N HN 0.287 8.667 8.380 -0.000 0.000 0.448 199 I N 1.413 121.914 120.570 -0.114 0.000 2.404 199 I HA 0.300 4.471 4.170 0.001 0.000 0.293 199 I C -0.935 175.091 176.117 -0.152 0.000 0.992 199 I CA -0.770 60.446 61.300 -0.140 0.000 1.149 199 I CB 1.892 39.818 38.000 -0.123 0.000 1.315 199 I HN -0.159 8.051 8.210 -0.000 0.000 0.446 200 I N 6.837 127.285 120.570 -0.204 0.000 2.382 200 I HA 0.254 4.424 4.170 0.001 0.000 0.285 200 I C -0.406 175.601 176.117 -0.184 0.000 1.007 200 I CA -0.364 60.819 61.300 -0.197 0.000 1.142 200 I CB 1.225 39.098 38.000 -0.212 0.000 1.289 200 I HN 0.284 8.494 8.210 -0.000 0.000 0.453 201 L N 6.528 127.656 121.223 -0.159 0.000 2.426 201 L HA 0.224 4.564 4.340 0.001 0.000 0.271 201 L C 0.265 176.997 176.870 -0.230 0.000 1.169 201 L CA 0.415 55.225 54.840 -0.050 0.000 0.836 201 L CB -0.199 41.904 42.059 0.073 0.000 1.112 201 L HN 0.468 8.698 8.230 -0.000 0.000 0.465 202 H N 1.360 120.563 119.070 0.222 0.000 2.439 202 H HA 0.223 4.779 4.556 0.001 0.000 0.228 202 H C -0.342 175.075 175.328 0.149 0.000 1.423 202 H CA -0.360 55.787 56.048 0.165 0.000 1.386 202 H CB 0.480 30.335 29.762 0.156 0.000 1.641 202 H HN 0.579 8.859 8.280 -0.000 0.000 0.508 203 T N -1.700 112.961 114.554 0.179 0.000 2.882 203 T HA 0.155 4.505 4.350 0.001 0.000 0.287 203 T C 0.758 175.468 174.700 0.016 0.000 1.014 203 T CA -0.727 61.408 62.100 0.058 0.000 1.049 203 T CB 1.262 70.129 68.868 -0.001 0.000 1.001 203 T HN 0.501 8.741 8.240 -0.000 0.000 0.525 204 N N 0.736 119.396 118.700 -0.068 0.000 2.758 204 N HA -0.150 4.591 4.740 0.001 0.000 0.248 204 N C -0.839 174.655 175.510 -0.027 0.000 1.076 204 N CA 0.383 53.392 53.050 -0.070 0.000 0.696 204 N CB -0.547 37.913 38.487 -0.044 0.000 0.979 204 N HN 0.456 8.836 8.380 -0.000 0.000 0.550 205 R N -0.227 120.263 120.500 -0.017 0.000 2.744 205 R HA 0.586 4.927 4.340 0.001 0.000 0.279 205 R C -0.629 175.670 176.300 -0.001 0.000 0.977 205 R CA -0.479 55.627 56.100 0.012 0.000 0.906 205 R CB 1.883 32.220 30.300 0.062 0.000 1.197 205 R HN -0.024 8.246 8.270 -0.000 0.000 0.463 206 T N 2.023 116.575 114.554 -0.003 0.000 2.841 206 T HA 0.285 4.635 4.350 0.001 0.000 0.283 206 T C -0.614 174.089 174.700 0.004 0.000 1.000 206 T CA -0.642 61.458 62.100 0.000 0.000 0.977 206 T CB 1.582 70.445 68.868 -0.009 0.000 0.979 206 T HN 0.234 8.474 8.240 -0.000 0.000 0.446 207 L N 3.945 125.177 121.223 0.016 0.000 2.342 207 L HA 0.326 4.666 4.340 0.001 0.000 0.285 207 L C 1.217 178.093 176.870 0.009 0.000 1.095 207 L CA 0.293 55.139 54.840 0.010 0.000 0.843 207 L CB 0.089 42.163 42.059 0.024 0.000 1.201 207 L HN 0.578 8.808 8.230 -0.000 0.000 0.445 208 E N 3.400 123.599 120.200 -0.001 0.000 2.170 208 E HA 0.034 4.384 4.350 0.001 0.000 0.191 208 E C 0.007 176.614 176.600 0.010 0.000 0.981 208 E CA 0.539 56.941 56.400 0.003 0.000 0.830 208 E CB 0.434 30.131 29.700 -0.004 0.000 0.775 208 E HN 0.756 9.116 8.360 -0.000 0.000 0.470 209 E N -0.616 119.589 120.200 0.008 0.000 2.388 209 E HA 0.234 4.585 4.350 0.001 0.000 0.282 209 E C -1.672 174.935 176.600 0.013 0.000 1.026 209 E CA -0.304 56.111 56.400 0.023 0.000 0.820 209 E CB 1.965 31.680 29.700 0.025 0.000 1.226 209 E HN -0.233 8.127 8.360 -0.000 0.000 0.432 210 V N 2.929 122.873 119.914 0.051 0.000 2.370 210 V HA 0.425 4.545 4.120 0.001 0.000 0.283 210 V C 0.136 176.238 176.094 0.012 0.000 1.023 210 V CA -0.283 62.018 62.300 0.001 0.000 0.857 210 V CB 1.043 32.911 31.823 0.076 0.000 0.985 210 V HN 0.756 8.946 8.190 -0.000 0.000 0.443 211 T N 1.708 116.167 114.554 -0.159 0.000 2.940 211 T HA 0.964 5.315 4.350 0.001 0.000 0.288 211 T C 0.085 174.502 174.700 -0.472 0.000 1.033 211 T CA -0.204 61.816 62.100 -0.133 0.000 1.033 211 T CB 2.240 71.075 68.868 -0.054 0.000 1.079 211 T HN 1.134 9.374 8.240 -0.000 0.000 0.496 212 G N 1.029 109.674 108.800 -0.257 0.000 2.427 212 G HA2 0.541 4.502 3.960 0.001 0.000 0.306 212 G HA3 0.541 4.502 3.960 0.001 0.000 0.306 212 G C -2.030 172.948 174.900 0.129 0.000 1.280 212 G CA -0.351 44.584 45.100 -0.275 0.000 0.837 212 G HN 0.982 9.272 8.290 -0.000 0.000 0.482 213 D N -2.120 118.364 120.400 0.141 0.000 2.758 213 D HA 0.458 5.098 4.640 0.001 0.000 0.262 213 D C 1.015 177.422 176.300 0.178 0.000 1.113 213 D CA -0.594 53.496 54.000 0.150 0.000 1.114 213 D CB 0.379 41.221 40.800 0.070 0.000 1.363 213 D HN 0.258 8.628 8.370 -0.000 0.000 0.617 214 Q N -0.886 118.974 119.800 0.101 0.000 2.368 214 Q HA 0.016 4.356 4.340 0.001 0.000 0.210 214 Q C 1.687 177.732 176.000 0.076 0.000 0.982 214 Q CA 1.722 57.569 55.803 0.073 0.000 0.884 214 Q CB -0.299 28.462 28.738 0.038 0.000 0.933 214 Q HN 0.490 8.760 8.270 -0.000 0.000 0.460 215 M N -1.887 117.762 119.600 0.082 0.000 2.534 215 M HA 0.246 4.727 4.480 0.001 0.000 0.263 215 M C 0.682 177.038 176.300 0.093 0.000 1.152 215 M CA 0.720 56.059 55.300 0.066 0.000 1.145 215 M CB 0.887 33.514 32.600 0.044 0.000 1.333 215 M HN 0.213 8.503 8.290 -0.000 0.000 0.477 216 G N -0.493 108.383 108.800 0.126 0.000 2.343 216 G HA2 0.203 4.164 3.960 0.001 0.000 0.289 216 G HA3 0.203 4.164 3.960 0.001 0.000 0.289 216 G C -1.459 173.391 174.900 -0.083 0.000 1.295 216 G CA -1.143 44.028 45.100 0.118 0.000 0.869 216 G HN -0.156 8.134 8.290 -0.000 0.000 0.522 217 V N 1.033 120.788 119.914 -0.266 0.000 2.694 217 V HA 0.353 4.474 4.120 0.001 0.000 0.306 217 V C 1.771 177.701 176.094 -0.274 0.000 1.054 217 V CA 1.624 63.616 62.300 -0.514 0.000 1.161 217 V CB 1.022 32.572 31.823 -0.454 0.000 0.916 217 V HN 1.412 9.602 8.190 -0.000 0.000 0.490 218 T N 0.327 114.713 114.554 -0.280 0.000 2.986 218 T HA 0.489 4.839 4.350 0.001 0.000 0.264 218 T C 0.471 175.082 174.700 -0.149 0.000 0.964 218 T CA 0.408 62.417 62.100 -0.151 0.000 0.895 218 T CB 0.697 69.506 68.868 -0.099 0.000 1.163 218 T HN 1.105 9.345 8.240 -0.000 0.000 0.517 219 G N -0.033 108.647 108.800 -0.201 0.000 2.550 219 G HA2 0.577 4.537 3.960 0.001 0.000 0.293 219 G HA3 0.577 4.537 3.960 0.001 0.000 0.293 219 G C -2.326 172.465 174.900 -0.180 0.000 1.402 219 G CA -0.443 44.557 45.100 -0.167 0.000 0.784 219 G HN 0.391 8.681 8.290 -0.000 0.000 0.482 220 V N 0.119 119.943 119.914 -0.151 0.000 2.891 220 V HA 0.618 4.739 4.120 0.001 0.000 0.304 220 V C -0.943 175.084 176.094 -0.112 0.000 1.171 220 V CA -0.888 61.335 62.300 -0.128 0.000 0.943 220 V CB 2.157 33.900 31.823 -0.133 0.000 1.037 220 V HN 0.787 8.977 8.190 -0.000 0.000 0.427 221 R N 5.028 125.482 120.500 -0.076 0.000 2.338 221 R HA 0.717 5.058 4.340 0.001 0.000 0.317 221 R C -1.559 174.708 176.300 -0.056 0.000 0.968 221 R CA -0.720 55.342 56.100 -0.063 0.000 0.849 221 R CB 1.679 31.956 30.300 -0.038 0.000 1.128 221 R HN 0.344 8.614 8.270 -0.000 0.000 0.448 222 L N 2.755 123.939 121.223 -0.064 0.000 2.341 222 L HA 0.621 4.961 4.340 0.001 0.000 0.267 222 L C 0.166 177.019 176.870 -0.028 0.000 1.009 222 L CA -0.629 54.182 54.840 -0.049 0.000 0.819 222 L CB 1.663 43.676 42.059 -0.076 0.000 1.323 222 L HN 0.713 8.943 8.230 -0.000 0.000 0.425 223 R N -0.134 120.357 120.500 -0.015 0.000 2.929 223 R HA 0.813 5.154 4.340 0.001 0.000 0.259 223 R C -1.394 174.903 176.300 -0.006 0.000 1.141 223 R CA -0.751 55.343 56.100 -0.009 0.000 0.991 223 R CB 0.771 31.066 30.300 -0.009 0.000 1.287 223 R HN 0.494 8.764 8.270 -0.000 0.000 0.450 224 D N -2.558 117.838 120.400 -0.006 0.000 10.640 224 D HA -0.133 4.508 4.640 0.001 0.000 0.360 224 D C -0.849 175.449 176.300 -0.004 0.000 3.073 224 D CA 1.800 55.794 54.000 -0.009 0.000 2.519 224 D CB -0.785 40.004 40.800 -0.019 0.000 1.179 224 D HN 0.900 9.270 8.370 -0.000 0.000 0.978 225 T N -0.554 113.994 114.554 -0.010 0.000 3.507 225 T HA 0.204 4.554 4.350 0.001 0.000 0.114 225 T C -1.105 173.587 174.700 -0.014 0.000 0.586 225 T CA -0.171 61.926 62.100 -0.006 0.000 0.707 225 T CB 0.021 68.890 68.868 0.001 0.000 0.786 225 T HN 0.531 8.771 8.240 -0.000 0.000 0.224 226 Q N 1.285 121.078 119.800 -0.011 0.000 2.821 226 Q HA 0.378 4.719 4.340 0.001 0.000 0.217 226 Q C -1.041 174.953 176.000 -0.009 0.000 0.775 226 Q CA -0.163 55.632 55.803 -0.013 0.000 0.930 226 Q CB 1.104 29.835 28.738 -0.011 0.000 1.511 226 Q HN 0.725 8.995 8.270 -0.000 0.000 0.457 227 N N 0.626 119.320 118.700 -0.011 0.000 2.725 227 N HA -0.210 4.531 4.740 0.001 0.000 0.249 227 N C -1.420 174.086 175.510 -0.006 0.000 1.103 227 N CA 1.413 54.458 53.050 -0.008 0.000 0.707 227 N CB -0.340 38.142 38.487 -0.007 0.000 1.043 227 N HN 0.607 8.987 8.380 -0.000 0.000 0.553 228 S N -1.696 114.000 115.700 -0.006 0.000 2.543 228 S HA 0.326 4.797 4.470 0.001 0.000 0.273 228 S C -1.187 173.411 174.600 -0.003 0.000 1.152 228 S CA -1.101 57.096 58.200 -0.003 0.000 0.910 228 S CB 1.906 65.105 63.200 -0.001 0.000 1.105 228 S HN 0.096 8.406 8.310 -0.000 0.000 0.465 229 D N 1.689 122.088 120.400 -0.003 0.000 2.563 229 D HA 0.293 4.933 4.640 0.001 0.000 0.222 229 D C -0.376 175.923 176.300 -0.001 0.000 1.145 229 D CA 0.070 54.068 54.000 -0.003 0.000 1.001 229 D CB -0.100 40.697 40.800 -0.004 0.000 1.049 229 D HN 0.535 8.905 8.370 -0.000 0.000 0.515 230 N N 2.894 121.595 118.700 0.001 0.000 2.414 230 N HA 0.270 5.011 4.740 0.001 0.000 0.256 230 N C -0.967 174.544 175.510 0.003 0.000 1.029 230 N CA -0.311 52.741 53.050 0.004 0.000 0.948 230 N CB 0.489 38.981 38.487 0.009 0.000 1.102 230 N HN 0.260 8.640 8.380 -0.000 0.000 0.496 231 I N 2.258 122.828 120.570 -0.000 0.000 2.525 231 I HA 0.365 4.535 4.170 0.001 0.000 0.301 231 I C -0.199 175.913 176.117 -0.008 0.000 0.992 231 I CA -0.789 60.508 61.300 -0.006 0.000 1.162 231 I CB 1.634 39.629 38.000 -0.009 0.000 1.332 231 I HN 0.578 8.788 8.210 -0.000 0.000 0.458 232 E N 3.701 123.889 120.200 -0.021 0.000 2.291 232 E HA 0.498 4.849 4.350 0.001 0.000 0.276 232 E C -1.674 174.885 176.600 -0.068 0.000 0.896 232 E CA -0.820 55.561 56.400 -0.031 0.000 0.774 232 E CB 1.769 31.462 29.700 -0.012 0.000 1.227 232 E HN 0.365 8.725 8.360 -0.000 0.000 0.413 233 S N 2.600 118.260 115.700 -0.066 0.000 2.541 233 S HA 0.531 5.002 4.470 0.001 0.000 0.283 233 S C -0.661 173.864 174.600 -0.124 0.000 1.196 233 S CA -0.662 57.484 58.200 -0.089 0.000 1.062 233 S CB 0.591 63.754 63.200 -0.063 0.000 1.009 233 S HN 0.397 8.707 8.310 -0.000 0.000 0.502 234 L N 2.743 123.863 121.223 -0.172 0.000 2.385 234 L HA 0.419 4.760 4.340 0.001 0.000 0.273 234 L C -0.461 176.294 176.870 -0.191 0.000 0.990 234 L CA -0.421 54.278 54.840 -0.235 0.000 0.821 234 L CB 1.701 43.522 42.059 -0.397 0.000 1.279 234 L HN 0.513 8.743 8.230 -0.000 0.000 0.412 235 D N 2.640 122.948 120.400 -0.155 0.000 2.317 235 D HA 0.448 5.088 4.640 0.001 0.000 0.252 235 D C -0.608 175.623 176.300 -0.116 0.000 1.174 235 D CA 0.218 54.155 54.000 -0.106 0.000 0.866 235 D CB 2.006 42.773 40.800 -0.055 0.000 1.127 235 D HN 0.124 8.494 8.370 -0.000 0.000 0.467 236 V N 1.297 121.143 119.914 -0.112 0.000 3.012 236 V HA 0.399 4.520 4.120 0.001 0.000 0.307 236 V C 0.475 176.506 176.094 -0.106 0.000 1.166 236 V CA -0.568 61.676 62.300 -0.093 0.000 0.974 236 V CB 2.169 33.919 31.823 -0.122 0.000 1.040 236 V HN 0.614 8.804 8.190 -0.000 0.000 0.428 237 A N 2.756 125.524 122.820 -0.086 0.000 2.095 237 A HA 0.721 5.041 4.320 0.001 0.000 0.212 237 A C 0.849 178.228 177.584 -0.343 0.000 1.162 237 A CA 0.883 52.869 52.037 -0.086 0.000 0.753 237 A CB 0.085 19.156 19.000 0.118 0.000 0.840 237 A HN 1.317 9.467 8.150 -0.000 0.000 0.468 238 G N -1.037 107.452 108.800 -0.518 0.000 2.718 238 G HA2 0.519 4.479 3.960 0.001 0.000 0.295 238 G HA3 0.519 4.479 3.960 0.001 0.000 0.295 238 G C -1.840 172.790 174.900 -0.451 0.000 1.421 238 G CA -0.439 44.197 45.100 -0.774 0.000 0.902 238 G HN 0.534 8.824 8.290 -0.000 0.000 0.501 239 L N 0.796 121.726 121.223 -0.487 0.000 2.349 239 L HA 0.812 5.152 4.340 0.001 0.000 0.278 239 L C -1.688 174.944 176.870 -0.398 0.000 0.996 239 L CA -1.016 53.665 54.840 -0.265 0.000 0.825 239 L CB 1.044 43.015 42.059 -0.147 0.000 1.243 239 L HN 0.342 8.572 8.230 -0.000 0.000 0.412 240 F N 5.152 125.112 119.950 0.017 0.000 2.361 240 F HA 0.455 4.983 4.527 0.001 0.000 0.364 240 F C 0.149 175.963 175.800 0.024 0.000 1.117 240 F CA -0.730 57.296 58.000 0.044 0.000 1.071 240 F CB 1.547 40.583 39.000 0.060 0.000 1.188 240 F HN 0.121 8.421 8.300 -0.000 0.000 0.464 241 V N 3.719 123.684 119.914 0.085 0.000 2.427 241 V HA 0.464 4.584 4.120 0.001 0.000 0.268 241 V C 0.409 176.477 176.094 -0.044 0.000 1.046 241 V CA -0.334 61.968 62.300 0.003 0.000 0.970 241 V CB 0.745 32.518 31.823 -0.083 0.000 1.001 241 V HN 0.856 9.046 8.190 -0.000 0.000 0.476 242 A N 5.929 128.746 122.820 -0.005 0.000 3.248 242 A HA 0.527 4.848 4.320 0.001 0.000 0.315 242 A C 0.676 178.234 177.584 -0.044 0.000 0.974 242 A CA -0.340 51.680 52.037 -0.029 0.000 0.939 242 A CB 0.007 19.029 19.000 0.037 0.000 1.061 242 A HN 0.926 9.076 8.150 -0.000 0.000 0.481 243 I N -3.097 117.418 120.570 -0.092 0.000 3.860 243 I HA 0.593 4.763 4.170 0.001 0.000 0.319 243 I C 0.678 176.752 176.117 -0.071 0.000 1.279 243 I CA 0.289 61.555 61.300 -0.056 0.000 1.220 243 I CB 0.395 38.377 38.000 -0.030 0.000 1.027 243 I HN 0.508 8.718 8.210 -0.000 0.000 0.428 244 G N 0.490 109.197 108.800 -0.156 0.000 2.347 244 G HA2 0.115 4.076 3.960 0.001 0.000 0.477 244 G HA3 0.115 4.076 3.960 0.001 0.000 0.477 244 G C -1.603 173.123 174.900 -0.290 0.000 1.349 244 G CA -0.874 44.157 45.100 -0.115 0.000 1.000 244 G HN 0.447 8.737 8.290 -0.000 0.000 0.605 245 H N -0.939 118.161 119.070 0.051 0.000 2.797 245 H HA 0.825 5.381 4.556 0.001 0.000 0.362 245 H C -0.239 175.102 175.328 0.022 0.000 1.183 245 H CA -0.345 55.736 56.048 0.056 0.000 1.197 245 H CB 2.212 32.051 29.762 0.129 0.000 1.835 245 H HN 0.455 8.735 8.280 -0.000 0.000 0.567 246 S N 2.313 118.093 115.700 0.134 0.000 2.542 246 S HA 0.274 4.744 4.470 0.001 0.000 0.245 246 S C -2.711 171.874 174.600 -0.025 0.000 1.325 246 S CA -1.114 57.102 58.200 0.027 0.000 1.176 246 S CB 0.577 63.795 63.200 0.030 0.000 1.045 246 S HN 0.384 8.694 8.310 -0.000 0.000 0.481 247 P HA 0.098 4.518 4.420 -0.000 0.000 0.263 247 P C -0.542 176.701 177.300 -0.094 0.000 1.195 247 P CA -0.084 62.877 63.100 -0.232 0.000 0.762 247 P CB 0.066 31.400 31.700 -0.611 0.000 0.799 248 N N 1.663 120.352 118.700 -0.018 0.000 2.671 248 N HA 0.105 4.846 4.740 0.001 0.000 0.274 248 N C 0.298 175.837 175.510 0.048 0.000 1.188 248 N CA 0.015 53.073 53.050 0.013 0.000 1.065 248 N CB -0.266 38.245 38.487 0.039 0.000 1.415 248 N HN 0.439 8.819 8.380 -0.000 0.000 0.511 249 T N -3.439 111.128 114.554 0.021 0.000 3.275 249 T HA 0.318 4.669 4.350 0.001 0.000 0.298 249 T C 1.462 176.149 174.700 -0.022 0.000 0.988 249 T CA -0.337 61.842 62.100 0.131 0.000 0.936 249 T CB 0.388 69.352 68.868 0.159 0.000 1.159 249 T HN 0.233 8.473 8.240 -0.000 0.000 0.519 250 A N 1.935 124.694 122.820 -0.102 0.000 1.883 250 A HA 0.080 4.401 4.320 0.001 0.000 0.217 250 A C 1.972 179.452 177.584 -0.174 0.000 1.186 250 A CA 1.296 53.272 52.037 -0.101 0.000 0.624 250 A CB -0.803 18.148 19.000 -0.080 0.000 0.822 250 A HN 0.447 8.597 8.150 -0.000 0.000 0.444 251 I N -1.219 119.138 120.570 -0.355 0.000 2.657 251 I HA -0.197 3.973 4.170 0.001 0.000 0.261 251 I C 1.162 176.980 176.117 -0.499 0.000 1.212 251 I CA 1.102 62.108 61.300 -0.491 0.000 1.453 251 I CB -0.440 37.126 38.000 -0.723 0.000 1.092 251 I HN 0.338 8.548 8.210 -0.000 0.000 0.452 252 F N -0.537 119.383 119.950 -0.050 0.000 2.695 252 F HA 0.248 4.775 4.527 0.001 0.000 0.303 252 F C 1.177 176.947 175.800 -0.049 0.000 1.091 252 F CA -0.722 57.242 58.000 -0.059 0.000 1.300 252 F CB -0.682 38.272 39.000 -0.076 0.000 1.071 252 F HN -0.171 8.129 8.300 -0.000 0.000 0.578 253 E N 0.338 120.581 120.200 0.072 0.000 2.529 253 E HA 0.309 4.660 4.350 0.001 0.000 0.259 253 E C 1.389 178.011 176.600 0.037 0.000 0.966 253 E CA 1.208 57.633 56.400 0.041 0.000 0.937 253 E CB 0.114 29.817 29.700 0.006 0.000 0.923 253 E HN 0.432 8.792 8.360 -0.000 0.000 0.468 254 G N 3.369 112.188 108.800 0.031 0.000 2.189 254 G HA2 -0.339 3.621 3.960 0.001 0.000 0.267 254 G HA3 -0.339 3.621 3.960 0.001 0.000 0.267 254 G C 0.886 175.803 174.900 0.029 0.000 0.975 254 G CA 0.683 45.797 45.100 0.024 0.000 0.644 254 G HN 0.502 8.792 8.290 -0.000 0.000 0.537 255 Q N -1.033 118.795 119.800 0.046 0.000 2.481 255 Q HA 0.415 4.756 4.340 0.001 0.000 0.219 255 Q C 1.494 177.495 176.000 0.001 0.000 0.920 255 Q CA 0.656 56.483 55.803 0.042 0.000 0.915 255 Q CB 0.494 29.289 28.738 0.095 0.000 1.057 255 Q HN 0.581 8.851 8.270 -0.000 0.000 0.581 256 L N 0.836 122.060 121.223 0.001 0.000 2.303 256 L HA 0.384 4.724 4.340 0.001 0.000 0.266 256 L C -0.128 176.722 176.870 -0.034 0.000 1.011 256 L CA -0.777 54.026 54.840 -0.061 0.000 0.818 256 L CB 1.921 43.895 42.059 -0.142 0.000 1.326 256 L HN -0.070 8.160 8.230 -0.000 0.000 0.435 257 E N 1.303 121.473 120.200 -0.049 0.000 2.259 257 E HA 0.377 4.727 4.350 0.001 0.000 0.281 257 E C -1.252 175.338 176.600 -0.018 0.000 1.037 257 E CA -0.456 55.928 56.400 -0.026 0.000 0.854 257 E CB 1.084 30.767 29.700 -0.028 0.000 1.051 257 E HN 0.126 8.486 8.360 -0.000 0.000 0.409 258 L N 2.742 123.966 121.223 0.002 0.000 2.323 258 L HA 0.392 4.733 4.340 0.001 0.000 0.265 258 L C -0.419 176.467 176.870 0.028 0.000 1.012 258 L CA -0.384 54.466 54.840 0.017 0.000 0.820 258 L CB 1.882 43.950 42.059 0.015 0.000 1.334 258 L HN 0.488 8.718 8.230 -0.000 0.000 0.427 259 E N 1.452 121.685 120.200 0.056 0.000 2.373 259 E HA 0.245 4.595 4.350 0.001 0.000 0.251 259 E C -0.405 176.242 176.600 0.078 0.000 0.923 259 E CA -0.192 56.237 56.400 0.049 0.000 0.798 259 E CB 0.402 30.132 29.700 0.050 0.000 1.303 259 E HN 0.612 8.972 8.360 -0.000 0.000 0.412 260 N N 3.590 122.313 118.700 0.039 0.000 2.714 260 N HA -0.266 4.474 4.740 0.001 0.000 0.250 260 N C 0.514 176.038 175.510 0.023 0.000 1.117 260 N CA 2.104 55.181 53.050 0.045 0.000 0.719 260 N CB -1.046 37.464 38.487 0.038 0.000 1.081 260 N HN 0.907 9.287 8.380 -0.000 0.000 0.557 261 G N -3.196 105.582 108.800 -0.036 0.000 2.232 261 G HA2 -0.314 3.646 3.960 0.001 0.000 0.226 261 G HA3 -0.314 3.646 3.960 0.001 0.000 0.226 261 G C -0.067 174.665 174.900 -0.281 0.000 0.996 261 G CA 0.162 45.159 45.100 -0.171 0.000 0.626 261 G HN 0.421 8.711 8.290 -0.000 0.000 0.509 262 Y N 0.884 121.173 120.300 -0.019 0.000 2.299 262 Y HA 0.624 5.175 4.550 0.001 0.000 0.326 262 Y C 1.395 177.292 175.900 -0.005 0.000 1.164 262 Y CA -0.776 57.324 58.100 0.001 0.000 1.234 262 Y CB 0.748 39.216 38.460 0.013 0.000 1.219 262 Y HN 0.121 8.401 8.280 -0.000 0.000 0.497 263 I N 4.512 125.142 120.570 0.101 0.000 2.471 263 I HA 0.043 4.214 4.170 0.001 0.000 0.286 263 I C -0.005 176.132 176.117 0.034 0.000 1.079 263 I CA -0.202 61.102 61.300 0.007 0.000 1.398 263 I CB 0.252 38.194 38.000 -0.096 0.000 1.403 263 I HN 0.418 8.628 8.210 -0.000 0.000 0.530 264 K N 6.586 126.991 120.400 0.008 0.000 2.297 264 K HA 0.339 4.659 4.320 0.001 0.000 0.286 264 K C -0.390 176.197 176.600 -0.022 0.000 1.053 264 K CA -0.344 55.949 56.287 0.011 0.000 0.940 264 K CB 1.393 33.897 32.500 0.007 0.000 1.019 264 K HN 0.504 8.754 8.250 -0.000 0.000 0.475 265 V N 0.053 119.964 119.914 -0.006 0.000 2.881 265 V HA 0.180 4.301 4.120 0.001 0.000 0.316 265 V C 1.384 177.476 176.094 -0.004 0.000 1.070 265 V CA -0.805 61.486 62.300 -0.015 0.000 0.976 265 V CB 1.780 33.604 31.823 0.002 0.000 1.038 265 V HN 0.861 9.051 8.190 -0.000 0.000 0.446 266 Q N 1.388 121.187 119.800 -0.002 0.000 2.135 266 Q HA -0.031 4.310 4.340 0.001 0.000 0.204 266 Q C 1.403 177.414 176.000 0.019 0.000 0.981 266 Q CA 1.702 57.511 55.803 0.010 0.000 0.856 266 Q CB -0.037 28.713 28.738 0.021 0.000 0.902 266 Q HN 1.230 9.500 8.270 -0.000 0.000 0.425 267 S N -2.562 113.149 115.700 0.018 0.000 3.245 267 S HA -0.151 4.319 4.470 0.001 0.000 0.631 267 S C 0.273 174.880 174.600 0.012 0.000 2.821 267 S CA 1.843 60.050 58.200 0.010 0.000 3.266 267 S CB -1.526 61.678 63.200 0.007 0.000 0.314 267 S HN 1.468 9.778 8.310 -0.000 0.000 1.621 268 G N -0.207 108.591 108.800 -0.002 0.000 2.685 268 G HA2 0.002 3.963 3.960 0.001 0.000 0.387 268 G HA3 0.002 3.963 3.960 0.001 0.000 0.387 268 G C 0.310 175.172 174.900 -0.064 0.000 1.324 268 G CA 0.212 45.306 45.100 -0.009 0.000 0.878 268 G HN 2.109 10.399 8.290 -0.000 0.000 0.527 269 I N -3.743 116.734 120.570 -0.155 0.000 3.947 269 I HA 0.476 4.647 4.170 0.001 0.000 0.327 269 I C 0.683 176.566 176.117 -0.390 0.000 1.519 269 I CA -0.262 60.877 61.300 -0.269 0.000 1.122 269 I CB 0.375 38.188 38.000 -0.312 0.000 1.146 269 I HN 0.416 8.626 8.210 -0.000 0.000 0.442 270 H N 1.825 120.892 119.070 -0.004 0.000 2.512 270 H HA 0.593 5.150 4.556 0.001 0.000 0.276 270 H C 0.836 176.167 175.328 0.006 0.000 1.126 270 H CA 0.458 56.507 56.048 0.000 0.000 1.060 270 H CB 0.707 30.472 29.762 0.004 0.000 1.646 270 H HN 0.564 8.844 8.280 -0.000 0.000 0.571 271 G N 1.129 109.970 108.800 0.068 0.000 2.730 271 G HA2 -0.262 3.699 3.960 0.001 0.000 0.686 271 G HA3 -0.262 3.699 3.960 0.001 0.000 0.686 271 G C -0.243 174.701 174.900 0.072 0.000 1.343 271 G CA -0.427 44.705 45.100 0.053 0.000 0.826 271 G HN 0.521 8.811 8.290 -0.000 0.000 0.582 272 N N -1.801 116.941 118.700 0.070 0.000 2.758 272 N HA -0.039 4.701 4.740 0.001 0.000 0.248 272 N C 1.518 177.092 175.510 0.106 0.000 1.076 272 N CA 2.338 55.462 53.050 0.124 0.000 0.696 272 N CB -1.055 37.520 38.487 0.148 0.000 0.979 272 N HN 1.982 10.362 8.380 -0.000 0.000 0.550 273 A N -1.130 121.727 122.820 0.062 0.000 2.016 273 A HA -0.029 4.292 4.320 0.001 0.000 0.217 273 A C 2.037 179.653 177.584 0.054 0.000 1.162 273 A CA 1.774 53.835 52.037 0.040 0.000 0.662 273 A CB -0.399 18.601 19.000 0.001 0.000 0.812 273 A HN 0.703 8.853 8.150 -0.000 0.000 0.450 274 T N -2.517 112.094 114.554 0.096 0.000 3.107 274 T HA 0.179 4.530 4.350 0.001 0.000 0.249 274 T C 0.742 175.559 174.700 0.194 0.000 1.096 274 T CA 0.291 62.465 62.100 0.123 0.000 1.012 274 T CB -0.327 68.604 68.868 0.105 0.000 0.977 274 T HN 0.397 8.637 8.240 -0.000 0.000 0.527 275 Q N 3.394 123.314 119.800 0.200 0.000 2.315 275 Q HA 0.247 4.588 4.340 0.001 0.000 0.289 275 Q C 0.592 176.505 176.000 -0.145 0.000 1.044 275 Q CA 0.216 55.990 55.803 -0.049 0.000 0.920 275 Q CB 0.545 29.266 28.738 -0.028 0.000 1.214 275 Q HN 0.569 8.839 8.270 -0.000 0.000 0.392 276 T N -0.122 114.257 114.554 -0.292 0.000 2.891 276 T HA 0.252 4.603 4.350 0.001 0.000 0.294 276 T C 1.152 175.732 174.700 -0.200 0.000 1.065 276 T CA -0.094 61.866 62.100 -0.232 0.000 0.936 276 T CB 0.306 68.989 68.868 -0.308 0.000 1.415 276 T HN 0.697 8.937 8.240 -0.000 0.000 0.572 277 S N -0.622 114.979 115.700 -0.164 0.000 2.474 277 S HA 0.108 4.579 4.470 0.001 0.000 0.235 277 S C 0.702 175.224 174.600 -0.131 0.000 0.997 277 S CA 0.095 58.225 58.200 -0.118 0.000 0.949 277 S CB -0.844 62.305 63.200 -0.085 0.000 0.766 277 S HN 0.607 8.917 8.310 -0.000 0.000 0.517 278 I N 2.676 123.125 120.570 -0.200 0.000 2.330 278 I HA 0.358 4.528 4.170 0.001 0.000 0.289 278 I C -2.821 173.139 176.117 -0.261 0.000 1.001 278 I CA -2.843 58.345 61.300 -0.188 0.000 1.193 278 I CB 1.561 39.431 38.000 -0.217 0.000 1.345 278 I HN -0.172 8.038 8.210 -0.000 0.000 0.461 279 P HA 0.049 4.469 4.420 -0.000 0.000 0.261 279 P C 0.834 177.946 177.300 -0.312 0.000 1.203 279 P CA 0.792 63.788 63.100 -0.172 0.000 0.767 279 P CB 0.493 32.220 31.700 0.045 0.000 0.785 280 G N 1.630 109.868 108.800 -0.936 0.000 2.218 280 G HA2 -0.168 3.792 3.960 0.001 0.000 0.216 280 G HA3 -0.168 3.792 3.960 0.001 0.000 0.216 280 G C -0.111 174.308 174.900 -0.803 0.000 0.994 280 G CA -0.301 44.103 45.100 -1.161 0.000 0.637 280 G HN 0.499 8.789 8.290 -0.000 0.000 0.505 281 V N 1.445 120.762 119.914 -0.995 0.000 2.459 281 V HA 0.834 4.954 4.120 0.001 0.000 0.295 281 V C -0.338 175.141 176.094 -1.025 0.000 1.029 281 V CA -0.641 61.150 62.300 -0.847 0.000 0.874 281 V CB 1.276 32.645 31.823 -0.758 0.000 0.985 281 V HN 0.240 8.430 8.190 -0.000 0.000 0.438 282 F N 1.954 121.748 119.950 -0.259 0.000 2.577 282 F HA 0.879 5.407 4.527 0.001 0.000 0.318 282 F C 0.290 175.973 175.800 -0.197 0.000 1.065 282 F CA -0.770 57.113 58.000 -0.196 0.000 0.929 282 F CB 2.104 41.017 39.000 -0.144 0.000 1.237 282 F HN 0.572 8.872 8.300 -0.000 0.000 0.468 283 A N 1.064 123.897 122.820 0.021 0.000 2.401 283 A HA 0.987 5.307 4.320 0.001 0.000 0.310 283 A C -1.347 176.239 177.584 0.003 0.000 1.075 283 A CA -0.465 51.549 52.037 -0.040 0.000 0.746 283 A CB 1.432 20.375 19.000 -0.094 0.000 1.277 283 A HN 1.199 9.349 8.150 -0.000 0.000 0.425 284 A N 0.455 123.272 122.820 -0.005 0.000 2.566 284 A HA 0.986 5.307 4.320 0.001 0.000 0.292 284 A C 0.468 178.063 177.584 0.017 0.000 1.112 284 A CA 0.217 52.255 52.037 0.003 0.000 0.707 284 A CB 0.761 19.754 19.000 -0.011 0.000 1.302 284 A HN 2.906 11.056 8.150 -0.000 0.000 0.409 285 G N 0.539 109.357 108.800 0.029 0.000 2.645 285 G HA2 -0.129 3.832 3.960 0.001 0.000 0.239 285 G HA3 -0.129 3.832 3.960 0.001 0.000 0.239 285 G C 0.262 175.203 174.900 0.069 0.000 1.331 285 G CA 0.667 45.796 45.100 0.048 0.000 0.890 285 G HN 0.861 9.151 8.290 -0.000 0.000 0.572 286 D N -0.795 119.655 120.400 0.082 0.000 2.149 286 D HA -0.121 4.520 4.640 0.001 0.000 0.194 286 D C 2.554 178.982 176.300 0.212 0.000 1.001 286 D CA 1.660 55.731 54.000 0.119 0.000 0.849 286 D CB -0.409 40.455 40.800 0.106 0.000 0.939 286 D HN 0.557 8.927 8.370 -0.000 0.000 0.449 287 V N 0.640 120.643 119.914 0.148 0.000 2.660 287 V HA -0.231 3.889 4.120 0.001 0.000 0.257 287 V C 1.551 177.781 176.094 0.227 0.000 1.088 287 V CA 2.029 64.412 62.300 0.138 0.000 1.106 287 V CB -0.229 31.630 31.823 0.060 0.000 0.686 287 V HN 0.294 8.484 8.190 -0.000 0.000 0.481 288 M N -1.690 118.028 119.600 0.198 0.000 2.414 288 M HA 0.498 4.979 4.480 0.001 0.000 0.357 288 M C -0.392 175.978 176.300 0.116 0.000 1.059 288 M CA -0.229 55.171 55.300 0.167 0.000 0.959 288 M CB 0.459 33.099 32.600 0.067 0.000 1.522 288 M HN 0.121 8.411 8.290 -0.000 0.000 0.551 289 D N 1.055 121.514 120.400 0.099 0.000 2.602 289 D HA 0.249 4.890 4.640 0.001 0.000 0.245 289 D C -0.220 175.951 176.300 -0.216 0.000 1.325 289 D CA -0.319 53.641 54.000 -0.067 0.000 0.952 289 D CB 0.834 41.635 40.800 0.001 0.000 1.317 289 D HN 0.403 8.773 8.370 -0.000 0.000 0.577 290 H N 2.844 121.608 119.070 -0.510 0.000 2.528 290 H HA 0.296 4.853 4.556 0.001 0.000 0.282 290 H C 0.141 175.196 175.328 -0.455 0.000 1.097 290 H CA -0.292 55.353 56.048 -0.671 0.000 1.121 290 H CB 0.247 29.273 29.762 -1.227 0.000 1.590 290 H HN 0.302 8.582 8.280 -0.000 0.000 0.553 291 I N -0.432 119.720 120.570 -0.697 0.000 3.366 291 I HA 0.016 4.187 4.170 0.001 0.000 0.267 291 I C 1.480 177.167 176.117 -0.716 0.000 1.149 291 I CA 0.311 61.145 61.300 -0.778 0.000 1.436 291 I CB -0.052 37.303 38.000 -1.074 0.000 1.379 291 I HN -0.004 8.206 8.210 -0.000 0.000 0.460 292 Y N 0.624 120.810 120.300 -0.191 0.000 2.301 292 Y HA 0.222 4.773 4.550 0.001 0.000 0.295 292 Y C 0.676 176.511 175.900 -0.109 0.000 1.126 292 Y CA -0.232 57.786 58.100 -0.136 0.000 1.154 292 Y CB -0.335 38.058 38.460 -0.111 0.000 1.075 292 Y HN -0.113 8.167 8.280 -0.000 0.000 0.534 293 R N 1.096 121.614 120.500 0.030 0.000 3.322 293 R HA -0.171 4.170 4.340 0.001 0.000 0.253 293 R C -1.053 175.283 176.300 0.059 0.000 0.987 293 R CA 0.179 56.285 56.100 0.010 0.000 0.666 293 R CB -1.755 28.503 30.300 -0.070 0.000 1.072 293 R HN 0.320 8.590 8.270 -0.000 0.000 0.447 294 Q N -0.949 118.908 119.800 0.094 0.000 2.351 294 Q HA 0.506 4.847 4.340 0.001 0.000 0.273 294 Q C 0.910 176.998 176.000 0.147 0.000 1.077 294 Q CA 0.204 56.074 55.803 0.112 0.000 0.843 294 Q CB 1.627 30.423 28.738 0.096 0.000 1.367 294 Q HN 0.233 8.503 8.270 -0.000 0.000 0.449 295 A N 1.396 124.340 122.820 0.206 0.000 1.933 295 A HA -0.167 4.154 4.320 0.001 0.000 0.218 295 A C 1.720 179.550 177.584 0.410 0.000 1.175 295 A CA 1.485 53.685 52.037 0.273 0.000 0.628 295 A CB -0.355 18.811 19.000 0.276 0.000 0.814 295 A HN 0.649 8.799 8.150 -0.000 0.000 0.444 296 I N 0.590 121.382 120.570 0.369 0.000 2.315 296 I HA -0.181 3.990 4.170 0.001 0.000 0.248 296 I C 2.612 178.765 176.117 0.060 0.000 1.117 296 I CA 2.403 63.800 61.300 0.163 0.000 1.404 296 I CB -0.429 37.506 38.000 -0.108 0.000 1.071 296 I HN 0.492 8.702 8.210 -0.000 0.000 0.419 297 T N -2.865 111.713 114.554 0.041 0.000 2.857 297 T HA -0.075 4.276 4.350 0.001 0.000 0.266 297 T C 2.041 176.758 174.700 0.028 0.000 1.048 297 T CA 1.420 63.513 62.100 -0.012 0.000 1.139 297 T CB -0.794 68.063 68.868 -0.018 0.000 0.874 297 T HN 0.260 8.500 8.240 -0.000 0.000 0.455 298 S N 1.988 117.737 115.700 0.081 0.000 2.368 298 S HA 0.105 4.576 4.470 0.001 0.000 0.225 298 S C 2.617 177.265 174.600 0.080 0.000 1.030 298 S CA 0.978 59.226 58.200 0.080 0.000 0.999 298 S CB -0.775 62.484 63.200 0.100 0.000 0.844 298 S HN 0.751 9.061 8.310 -0.000 0.000 0.459 299 A N 1.395 124.300 122.820 0.142 0.000 1.969 299 A HA 0.138 4.458 4.320 0.001 0.000 0.218 299 A C 2.280 179.885 177.584 0.035 0.000 1.169 299 A CA 1.581 53.710 52.037 0.154 0.000 0.635 299 A CB -1.271 17.938 19.000 0.349 0.000 0.810 299 A HN 0.509 8.659 8.150 -0.000 0.000 0.445 300 G N -0.132 108.664 108.800 -0.007 0.000 2.421 300 G HA2 -0.207 3.754 3.960 0.001 0.000 0.216 300 G HA3 -0.207 3.754 3.960 0.001 0.000 0.216 300 G C 1.739 176.572 174.900 -0.112 0.000 1.171 300 G CA 2.004 47.050 45.100 -0.090 0.000 0.775 300 G HN 0.627 8.917 8.290 -0.000 0.000 0.543 301 T N -0.751 113.763 114.554 -0.067 0.000 2.867 301 T HA 0.068 4.418 4.350 0.001 0.000 0.268 301 T C 2.428 177.084 174.700 -0.074 0.000 1.057 301 T CA 1.460 63.522 62.100 -0.064 0.000 1.136 301 T CB -0.541 68.312 68.868 -0.026 0.000 0.874 301 T HN 0.259 8.499 8.240 -0.000 0.000 0.466 302 G N 0.421 109.189 108.800 -0.053 0.000 2.418 302 G HA2 -0.260 3.700 3.960 0.001 0.000 0.217 302 G HA3 -0.260 3.700 3.960 0.001 0.000 0.217 302 G C 1.962 176.793 174.900 -0.116 0.000 1.158 302 G CA 0.885 45.956 45.100 -0.049 0.000 0.771 302 G HN 0.636 8.926 8.290 -0.000 0.000 0.545 303 C N 0.664 119.836 119.300 -0.214 0.000 2.413 303 C HA 0.003 4.464 4.460 0.001 0.000 0.276 303 C C 2.976 177.728 174.990 -0.396 0.000 1.236 303 C CA 1.612 60.326 59.018 -0.506 0.000 1.735 303 C CB -0.977 26.288 27.740 -0.791 0.000 2.031 303 C HN 0.479 8.709 8.230 -0.000 0.000 0.474 304 M N 1.340 120.774 119.600 -0.275 0.000 2.108 304 M HA -0.107 4.374 4.480 0.001 0.000 0.261 304 M C 2.573 178.748 176.300 -0.209 0.000 1.066 304 M CA 2.213 57.388 55.300 -0.208 0.000 1.107 304 M CB -0.599 31.915 32.600 -0.143 0.000 1.356 304 M HN 0.558 8.848 8.290 -0.000 0.000 0.406 305 A N 0.488 123.192 122.820 -0.192 0.000 1.877 305 A HA -0.084 4.237 4.320 0.001 0.000 0.216 305 A C 2.410 179.777 177.584 -0.363 0.000 1.186 305 A CA 2.026 53.905 52.037 -0.262 0.000 0.620 305 A CB -1.040 17.885 19.000 -0.125 0.000 0.822 305 A HN 0.503 8.653 8.150 -0.000 0.000 0.443 306 A N -0.295 122.398 122.820 -0.212 0.000 1.908 306 A HA -0.070 4.251 4.320 0.001 0.000 0.218 306 A C 2.179 179.665 177.584 -0.163 0.000 1.181 306 A CA 1.591 53.540 52.037 -0.146 0.000 0.627 306 A CB -0.611 18.379 19.000 -0.017 0.000 0.818 306 A HN 0.484 8.634 8.150 -0.000 0.000 0.445 307 L N -0.767 120.359 121.223 -0.162 0.000 2.109 307 L HA -0.145 4.196 4.340 0.001 0.000 0.207 307 L C 2.019 178.786 176.870 -0.171 0.000 1.086 307 L CA 1.209 55.975 54.840 -0.123 0.000 0.760 307 L CB -0.623 41.376 42.059 -0.101 0.000 0.910 307 L HN 0.284 8.514 8.230 -0.000 0.000 0.437 308 D N 0.372 120.593 120.400 -0.299 0.000 2.117 308 D HA -0.132 4.508 4.640 0.001 0.000 0.198 308 D C 2.251 178.246 176.300 -0.509 0.000 0.982 308 D CA 1.477 55.257 54.000 -0.366 0.000 0.828 308 D CB 0.004 40.515 40.800 -0.482 0.000 0.967 308 D HN 0.272 8.642 8.370 -0.000 0.000 0.464 309 A N 1.088 123.415 122.820 -0.822 0.000 1.902 309 A HA -0.200 4.121 4.320 0.001 0.000 0.217 309 A C 2.107 179.683 177.584 -0.013 0.000 1.181 309 A CA 1.526 53.288 52.037 -0.458 0.000 0.623 309 A CB -0.442 18.345 19.000 -0.354 0.000 0.818 309 A HN 0.113 8.263 8.150 -0.000 0.000 0.443 310 E N 0.431 120.592 120.200 -0.065 0.000 2.038 310 E HA -0.224 4.127 4.350 0.001 0.000 0.195 310 E C 2.230 178.849 176.600 0.031 0.000 1.000 310 E CA 1.486 57.886 56.400 -0.001 0.000 0.803 310 E CB -0.254 29.434 29.700 -0.020 0.000 0.750 310 E HN 0.639 8.999 8.360 -0.000 0.000 0.448 311 R N -0.811 119.704 120.500 0.026 0.000 2.120 311 R HA -0.170 4.170 4.340 0.001 0.000 0.234 311 R C 2.465 178.829 176.300 0.106 0.000 1.123 311 R CA 1.552 57.683 56.100 0.052 0.000 0.975 311 R CB -0.541 29.787 30.300 0.046 0.000 0.866 311 R HN 0.302 8.572 8.270 -0.000 0.000 0.446 312 Y N 1.342 121.682 120.300 0.066 0.000 2.133 312 Y HA -0.119 4.431 4.550 0.001 0.000 0.287 312 Y C 1.834 177.798 175.900 0.107 0.000 1.134 312 Y CA 1.365 59.551 58.100 0.144 0.000 1.133 312 Y CB -0.288 38.372 38.460 0.333 0.000 0.987 312 Y HN -0.088 8.192 8.280 -0.000 0.000 0.502 313 L N 0.233 121.480 121.223 0.041 0.000 2.265 313 L HA -0.183 4.158 4.340 0.001 0.000 0.215 313 L C 1.196 178.008 176.870 -0.096 0.000 1.117 313 L CA 1.659 56.461 54.840 -0.063 0.000 0.782 313 L CB -0.424 41.691 42.059 0.092 0.000 0.914 313 L HN 0.258 8.488 8.230 -0.000 0.000 0.441 314 D N -0.197 120.168 120.400 -0.059 0.000 2.342 314 D HA 0.126 4.766 4.640 0.001 0.000 0.221 314 D C 1.211 177.472 176.300 -0.065 0.000 1.101 314 D CA 0.515 54.487 54.000 -0.046 0.000 0.837 314 D CB 0.175 40.966 40.800 -0.015 0.000 0.938 314 D HN 0.211 8.581 8.370 -0.000 0.000 0.508 315 G N 0.868 109.593 108.800 -0.124 0.000 2.273 315 G HA2 -0.268 3.692 3.960 0.001 0.000 0.280 315 G HA3 -0.268 3.692 3.960 0.001 0.000 0.280 315 G C 0.649 175.523 174.900 -0.044 0.000 1.047 315 G CA 0.485 45.519 45.100 -0.111 0.000 0.869 315 G HN 0.447 8.737 8.290 -0.000 0.000 0.502 316 L N -1.160 120.056 121.223 -0.012 0.000 2.808 316 L HA 0.671 5.012 4.340 0.001 0.000 0.246 316 L C 1.064 177.968 176.870 0.057 0.000 1.153 316 L CA 0.545 55.398 54.840 0.021 0.000 0.956 316 L CB 0.035 42.108 42.059 0.023 0.000 1.270 316 L HN 0.796 9.026 8.230 -0.000 0.000 0.528 317 A N 0.000 122.872 122.820 0.087 0.000 2.254 317 A HA 0.000 4.321 4.320 0.001 0.000 0.244 317 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 317 A CB 0.000 19.001 19.000 0.001 0.000 0.831 317 A HN 0.000 8.150 8.150 -0.000 0.000 0.486