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 2kt5_1_A DATA FIRST_RESID 40 DATA SEQUENCE MASMTGGQQM GRDPDKWQHD LFDSGCGGGE GVETGAKLLV SNLDFGVSDA DATA SEQUENCE DIQELFAEFG TLKKAAVDYD RSGRSLGTAD VHFERRADAL KAMKQYKGVP DATA SEQUENCE LDGRPMDIQL VASQIDLEHH HHHH 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 40 M HA 0.000 4.480 4.480 0.001 0.000 0.227 40 M C 0.000 176.300 176.300 0.001 0.000 1.140 40 M CA 0.000 55.300 55.300 0.001 0.000 0.988 40 M CB 0.000 32.600 32.600 0.001 0.000 1.302 41 A N 2.842 125.663 122.820 0.001 0.000 2.536 41 A HA 1.048 5.368 4.320 0.001 0.000 0.293 41 A C -2.050 175.535 177.584 0.001 0.000 1.119 41 A CA -0.678 51.360 52.037 0.001 0.000 0.654 41 A CB 2.010 21.010 19.000 0.001 0.000 1.291 41 A HN 0.834 8.985 8.150 0.001 0.000 0.439 42 S N -1.658 114.043 115.700 0.001 0.000 2.558 42 S HA 0.622 5.093 4.470 0.001 0.000 0.277 42 S C -1.030 173.570 174.600 0.001 0.000 1.143 42 S CA -0.243 57.957 58.200 0.001 0.000 0.865 42 S CB 0.847 64.048 63.200 0.001 0.000 1.102 42 S HN 1.044 9.355 8.310 0.001 0.000 0.454 43 M N 0.611 120.212 119.600 0.001 0.000 2.365 43 M HA 0.798 5.279 4.480 0.001 0.000 0.287 43 M C -2.023 174.277 176.300 0.001 0.000 1.154 43 M CA -0.262 55.039 55.300 0.001 0.000 0.941 43 M CB 2.704 35.305 32.600 0.001 0.000 1.704 43 M HN 0.643 8.934 8.290 0.001 0.000 0.479 44 T N 1.314 115.868 114.554 0.001 0.000 3.289 44 T HA 0.649 5.000 4.350 0.001 0.000 0.370 44 T C -1.562 173.139 174.700 0.001 0.000 1.546 44 T CA 0.461 62.562 62.100 0.001 0.000 1.144 44 T CB 1.452 70.321 68.868 0.001 0.000 1.379 44 T HN 1.130 9.371 8.240 0.001 0.000 0.478 45 G N 4.665 113.466 108.800 0.001 0.000 2.634 45 G HA2 -0.048 3.913 3.960 0.002 0.000 0.568 45 G HA3 -0.048 3.913 3.960 0.002 0.000 0.568 45 G C -2.420 172.481 174.900 0.002 0.000 1.495 45 G CA 0.390 45.491 45.100 0.002 0.000 0.903 45 G HN 0.365 8.656 8.290 0.001 0.000 0.646 46 G N 0.958 109.759 108.800 0.002 0.000 1.984 46 G HA2 -0.079 3.883 3.960 0.002 0.000 0.313 46 G HA3 -0.079 3.883 3.960 0.002 0.000 0.313 46 G C -1.143 173.759 174.900 0.002 0.000 1.632 46 G CA -0.240 44.861 45.100 0.002 0.000 0.963 46 G HN -0.213 8.079 8.290 0.002 0.000 0.595 47 Q N 0.187 119.988 119.800 0.003 0.000 2.712 47 Q HA 0.773 5.115 4.340 0.003 0.000 0.267 47 Q C -0.295 175.707 176.000 0.003 0.000 1.062 47 Q CA -0.668 55.136 55.803 0.003 0.000 0.888 47 Q CB 2.418 31.158 28.738 0.003 0.000 1.374 47 Q HN 0.591 8.863 8.270 0.003 0.000 0.498 48 Q N -1.036 118.766 119.800 0.004 0.000 2.435 48 Q HA 0.671 5.013 4.340 0.004 0.000 0.282 48 Q C -1.584 174.419 176.000 0.004 0.000 1.020 48 Q CA -0.685 55.120 55.803 0.004 0.000 0.820 48 Q CB 2.491 31.231 28.738 0.004 0.000 1.436 48 Q HN 0.373 8.645 8.270 0.003 0.000 0.395 49 M N 0.300 119.903 119.600 0.005 0.000 2.727 49 M HA 0.770 5.253 4.480 0.006 0.000 0.300 49 M C -0.905 175.399 176.300 0.006 0.000 1.246 49 M CA -0.671 54.632 55.300 0.006 0.000 0.835 49 M CB 3.199 35.803 32.600 0.006 0.000 1.755 49 M HN 0.903 9.196 8.290 0.005 0.000 0.473 50 G N 0.376 109.180 108.800 0.007 0.000 3.583 50 G HA2 -0.068 3.897 3.960 0.009 0.000 0.233 50 G HA3 -0.068 3.896 3.960 0.008 0.000 0.233 50 G C -1.978 172.928 174.900 0.010 0.000 3.737 50 G CA -0.431 44.674 45.100 0.009 0.000 0.625 50 G HN 0.160 8.454 8.290 0.007 0.000 0.309 51 R N 0.847 121.353 120.500 0.010 0.000 2.562 51 R HA 0.338 4.685 4.340 0.012 0.000 0.298 51 R C -1.372 174.937 176.300 0.014 0.000 0.961 51 R CA -0.491 55.616 56.100 0.012 0.000 0.881 51 R CB 1.181 31.487 30.300 0.010 0.000 1.159 51 R HN -0.318 7.958 8.270 0.010 0.000 0.450 52 D N 4.652 125.062 120.400 0.017 0.000 2.423 52 D HA 0.415 5.067 4.640 0.020 0.000 0.235 52 D C -1.416 174.899 176.300 0.024 0.000 1.011 52 D CA -1.875 52.138 54.000 0.021 0.000 0.963 52 D CB 0.141 40.956 40.800 0.024 0.000 1.349 52 D HN -0.043 8.337 8.370 0.017 0.000 0.508 53 P HA -0.121 4.314 4.420 0.025 0.000 0.221 53 P C -1.082 176.244 177.300 0.043 0.000 1.150 53 P CA 0.429 63.549 63.100 0.033 0.000 0.800 53 P CB 0.231 31.953 31.700 0.038 0.000 0.787 54 D N -2.150 118.280 120.400 0.051 0.000 2.723 54 D HA -0.244 4.434 4.640 0.063 0.000 0.236 54 D C -0.570 175.788 176.300 0.097 0.000 1.138 54 D CA 0.792 54.831 54.000 0.064 0.000 0.676 54 D CB -1.295 39.536 40.800 0.052 0.000 1.069 54 D HN 0.103 8.473 8.370 0.046 0.028 0.430 55 K N -1.240 119.231 120.400 0.118 0.000 2.380 55 K HA -0.169 4.254 4.320 0.172 0.000 0.267 55 K C 1.040 177.819 176.600 0.298 0.000 0.990 55 K CA 0.269 56.674 56.287 0.198 0.000 0.946 55 K CB 0.527 33.146 32.500 0.198 0.000 0.937 55 K HN -0.293 8.014 8.250 0.095 0.000 0.491 56 W N 1.777 123.099 121.300 0.037 0.000 1.924 56 W HA -0.035 4.673 4.660 0.081 0.000 0.363 56 W C -1.712 174.866 176.519 0.097 0.000 1.435 56 W CA -0.254 57.135 57.345 0.073 0.000 1.497 56 W CB -0.121 29.374 29.460 0.059 0.000 1.263 56 W HN 0.030 8.584 8.180 0.623 0.000 0.667 57 Q N -0.201 119.566 119.800 -0.055 0.000 2.418 57 Q HA 0.284 4.343 4.340 -0.468 0.000 0.240 57 Q C -1.924 173.977 176.000 -0.165 0.000 0.859 57 Q CA -0.522 55.135 55.803 -0.244 0.000 0.916 57 Q CB 1.959 30.644 28.738 -0.088 0.000 1.448 57 Q HN 0.507 8.909 8.270 0.219 0.000 0.439 58 H N 1.899 120.622 119.070 -0.579 0.000 2.869 58 H HA 0.546 4.959 4.556 -0.239 0.000 0.342 58 H C -1.259 173.922 175.328 -0.246 0.000 1.250 58 H CA -0.853 54.966 56.048 -0.381 0.000 1.217 58 H CB 2.801 32.274 29.762 -0.482 0.000 1.917 58 H HN 0.429 8.392 8.280 -0.529 0.000 0.586 59 D N 1.352 121.734 120.400 -0.030 0.000 2.354 59 D HA 0.097 4.720 4.640 -0.028 0.000 0.230 59 D C -0.733 175.607 176.300 0.065 0.000 1.361 59 D CA -0.134 53.859 54.000 -0.011 0.000 0.992 59 D CB 2.322 43.105 40.800 -0.029 0.000 1.409 59 D HN 0.058 8.420 8.370 -0.014 0.000 0.573 60 L N 1.853 123.112 121.223 0.061 0.000 2.489 60 L HA -0.068 4.363 4.340 0.152 0.000 0.285 60 L C -0.870 176.089 176.870 0.149 0.000 1.259 60 L CA 0.719 55.608 54.840 0.082 0.000 0.828 60 L CB 0.647 42.693 42.059 -0.022 0.000 1.094 60 L HN -0.104 8.137 8.230 0.018 0.000 0.524 61 F N -1.026 118.920 119.950 -0.007 0.000 2.599 61 F HA 0.385 4.904 4.527 -0.014 0.000 0.311 61 F C -1.197 174.600 175.800 -0.006 0.000 1.076 61 F CA -1.037 56.957 58.000 -0.010 0.000 0.937 61 F CB 1.464 40.457 39.000 -0.012 0.000 1.282 61 F HN -0.178 7.969 8.300 -0.256 0.000 0.460 62 D N 0.574 121.007 120.400 0.056 0.000 2.742 62 D HA 0.067 4.661 4.640 -0.076 0.000 0.262 62 D C -1.797 174.532 176.300 0.048 0.000 1.240 62 D CA -0.299 53.683 54.000 -0.030 0.000 0.752 62 D CB 1.193 41.931 40.800 -0.102 0.000 1.290 62 D HN 0.011 8.483 8.370 0.170 0.000 0.420 63 S N 0.448 116.164 115.700 0.028 0.000 2.751 63 S HA 0.916 5.407 4.470 0.036 0.000 0.310 63 S C -0.958 173.646 174.600 0.007 0.000 1.128 63 S CA -1.023 57.195 58.200 0.030 0.000 0.931 63 S CB 3.656 66.882 63.200 0.042 0.000 1.177 63 S HN 0.552 8.864 8.310 0.004 0.000 0.530 64 G N -0.499 108.305 108.800 0.007 0.000 2.350 64 G HA2 0.263 4.221 3.960 -0.003 0.000 0.282 64 G HA3 0.263 4.219 3.960 -0.006 0.000 0.282 64 G C -2.460 172.439 174.900 -0.003 0.000 1.314 64 G CA -0.386 44.713 45.100 -0.002 0.000 0.915 64 G HN 0.890 9.187 8.290 0.012 0.000 0.499 65 C N 0.741 120.037 119.300 -0.007 0.000 3.082 65 C HA 0.563 5.018 4.460 -0.008 0.000 0.324 65 C C -0.218 174.765 174.990 -0.013 0.000 1.210 65 C CA -1.241 57.772 59.018 -0.009 0.000 1.366 65 C CB 1.247 28.982 27.740 -0.009 0.000 1.756 65 C HN 0.305 8.530 8.230 -0.009 0.000 0.485 66 G N 1.613 110.404 108.800 -0.016 0.000 2.320 66 G HA2 0.052 3.997 3.960 -0.025 0.000 0.297 66 G HA3 0.052 4.001 3.960 -0.019 0.000 0.297 66 G C -2.195 172.691 174.900 -0.024 0.000 1.344 66 G CA 0.247 45.334 45.100 -0.021 0.000 0.851 66 G HN -0.107 8.174 8.290 -0.015 0.000 0.567 67 G N -1.366 107.415 108.800 -0.031 0.000 2.429 67 G HA2 0.011 3.954 3.960 -0.028 0.000 0.300 67 G HA3 0.011 3.952 3.960 -0.031 0.000 0.300 67 G C -1.552 173.321 174.900 -0.044 0.000 1.598 67 G CA 0.841 45.921 45.100 -0.033 0.000 0.863 67 G HN 0.152 8.420 8.290 -0.036 0.000 0.614 68 G N -0.337 108.438 108.800 -0.042 0.000 2.326 68 G HA2 0.001 3.931 3.960 -0.050 0.000 0.478 68 G HA3 0.001 3.922 3.960 -0.065 0.000 0.478 68 G C -2.493 172.381 174.900 -0.045 0.000 1.551 68 G CA -0.352 44.717 45.100 -0.051 0.000 0.946 68 G HN -0.346 7.924 8.290 -0.035 0.000 0.671 69 E N -0.027 120.146 120.200 -0.045 0.000 2.388 69 E HA 0.643 4.971 4.350 -0.036 0.000 0.282 69 E C -0.811 175.766 176.600 -0.039 0.000 1.026 69 E CA -0.896 55.482 56.400 -0.037 0.000 0.820 69 E CB 3.132 32.815 29.700 -0.029 0.000 1.226 69 E HN 1.478 9.808 8.360 -0.049 0.000 0.432 70 G N -0.315 108.466 108.800 -0.032 0.000 2.767 70 G HA2 -0.147 3.796 3.960 -0.027 0.000 0.228 70 G HA3 -0.147 3.791 3.960 -0.037 0.000 0.228 70 G C -2.679 172.208 174.900 -0.021 0.000 1.271 70 G CA -0.196 44.886 45.100 -0.030 0.000 1.029 70 G HN 0.027 8.301 8.290 -0.027 0.000 0.543 71 V N -0.933 118.974 119.914 -0.012 0.000 2.432 71 V HA 0.177 4.299 4.120 0.002 0.000 0.271 71 V C -1.103 174.997 176.094 0.009 0.000 1.046 71 V CA -0.043 62.258 62.300 0.001 0.000 0.945 71 V CB 0.592 32.419 31.823 0.008 0.000 0.992 71 V HN -0.484 7.698 8.190 -0.012 0.000 0.471 72 E N 7.181 127.391 120.200 0.015 0.000 3.762 72 E HA 0.057 4.419 4.350 0.020 0.000 0.198 72 E C -0.123 176.493 176.600 0.027 0.000 1.298 72 E CA 0.831 57.243 56.400 0.020 0.000 1.439 72 E CB -0.069 29.642 29.700 0.018 0.000 2.030 72 E HN 0.798 9.168 8.360 0.017 0.000 0.547 73 T N 0.570 115.140 114.554 0.028 0.000 2.989 73 T HA 0.042 4.412 4.350 0.033 0.000 0.250 73 T C -1.251 173.474 174.700 0.043 0.000 0.981 73 T CA -0.109 62.011 62.100 0.033 0.000 0.980 73 T CB 1.146 70.031 68.868 0.028 0.000 1.133 73 T HN -0.046 8.209 8.240 0.024 0.000 0.489 74 G N -1.866 106.961 108.800 0.044 0.000 2.359 74 G HA2 -0.054 4.059 3.960 0.087 0.000 0.293 74 G HA3 -0.054 3.929 3.960 0.076 0.023 0.293 74 G C -3.200 171.736 174.900 0.059 0.000 1.300 74 G CA -0.197 44.945 45.100 0.069 0.000 0.888 74 G HN -0.845 7.464 8.290 0.033 0.000 0.541 75 A N -4.151 118.727 122.820 0.096 0.000 2.610 75 A HA 0.818 5.418 4.320 0.036 -0.258 0.291 75 A C -2.412 175.254 177.584 0.136 0.000 1.086 75 A CA -0.746 51.336 52.037 0.074 0.000 0.677 75 A CB 3.781 22.801 19.000 0.034 0.000 1.278 75 A HN 0.102 8.344 8.150 0.153 0.000 0.414 76 K N -1.360 119.094 120.400 0.090 0.000 2.123 76 K HA 0.287 4.745 4.320 0.230 0.000 0.259 76 K C -2.179 174.533 176.600 0.188 0.000 0.960 76 K CA -1.074 55.297 56.287 0.140 0.000 0.872 76 K CB 2.858 35.364 32.500 0.010 0.000 1.079 76 K HN 0.096 8.372 8.250 0.044 0.000 0.440 77 L N 3.580 124.984 121.223 0.302 0.000 2.372 77 L HA 0.485 5.075 4.340 0.163 -0.153 0.273 77 L C -2.423 174.577 176.870 0.217 0.000 0.989 77 L CA -0.846 54.151 54.840 0.261 0.000 0.841 77 L CB 3.241 45.547 42.059 0.411 0.000 1.225 77 L HN 0.521 8.994 8.230 0.404 0.000 0.414 78 L N 7.423 128.731 121.223 0.142 0.000 2.255 78 L HA 0.633 5.162 4.340 0.100 -0.128 0.289 78 L C -2.037 174.886 176.870 0.087 0.000 1.046 78 L CA -1.747 53.154 54.840 0.101 0.000 0.816 78 L CB 1.291 43.394 42.059 0.074 0.000 1.197 78 L HN 0.823 9.124 8.230 0.117 0.000 0.427 79 V N 8.939 128.894 119.914 0.068 0.000 2.567 79 V HA 0.478 4.809 4.120 0.099 -0.151 0.289 79 V C -0.017 176.093 176.094 0.027 0.000 1.049 79 V CA -1.545 60.794 62.300 0.064 0.000 0.969 79 V CB 0.510 32.357 31.823 0.039 0.000 0.995 79 V HN 0.431 8.646 8.190 0.042 0.000 0.471 80 S N 5.557 121.274 115.700 0.029 0.000 2.697 80 S HA 0.327 4.793 4.470 -0.006 0.000 0.289 80 S C -1.196 173.401 174.600 -0.005 0.000 1.149 80 S CA -1.201 57.002 58.200 0.006 0.000 0.850 80 S CB 2.992 66.197 63.200 0.009 0.000 1.151 80 S HN 0.882 9.110 8.310 0.047 0.111 0.491 81 N N -0.259 118.427 118.700 -0.023 0.000 2.758 81 N HA -0.347 4.364 4.740 -0.047 0.000 0.248 81 N C -1.446 174.027 175.510 -0.062 0.000 1.076 81 N CA 0.924 53.951 53.050 -0.039 0.000 0.696 81 N CB -0.723 37.750 38.487 -0.023 0.000 0.979 81 N HN 0.083 8.448 8.380 -0.024 0.000 0.550 82 L N -3.030 118.147 121.223 -0.076 0.000 2.543 82 L HA 0.047 4.335 4.340 -0.086 0.000 0.231 82 L C -0.452 176.315 176.870 -0.173 0.000 1.194 82 L CA 0.442 55.220 54.840 -0.102 0.000 0.823 82 L CB 0.864 42.868 42.059 -0.090 0.000 1.374 82 L HN -0.675 7.379 8.230 -0.067 0.135 0.507 83 D N -3.386 116.886 120.400 -0.214 0.000 2.585 83 D HA 0.042 4.402 4.640 -0.466 0.000 0.254 83 D C -0.715 175.396 176.300 -0.315 0.000 1.067 83 D CA -1.122 52.642 54.000 -0.394 0.000 1.090 83 D CB 3.333 43.858 40.800 -0.458 0.000 1.408 83 D HN -0.282 7.994 8.370 -0.157 0.000 0.554 84 F N -4.297 115.596 119.950 -0.095 0.000 2.731 84 F HA 0.125 4.509 4.527 -0.238 0.000 0.304 84 F C 0.076 175.870 175.800 -0.009 0.000 1.133 84 F CA -1.014 56.918 58.000 -0.113 0.000 1.380 84 F CB -0.154 38.791 39.000 -0.092 0.000 1.079 84 F HN -0.021 7.384 8.300 -1.492 0.000 0.550 85 G N -1.450 107.466 108.800 0.193 0.000 2.720 85 G HA2 -0.042 4.082 3.960 0.274 0.000 0.204 85 G HA3 -0.042 4.008 3.960 0.150 0.000 0.204 85 G C -0.483 174.498 174.900 0.135 0.000 1.113 85 G CA -0.207 45.014 45.100 0.201 0.000 0.805 85 G HN -0.266 7.885 8.290 -0.052 0.108 0.536 86 V N -1.901 118.060 119.914 0.077 0.000 2.540 86 V HA -0.051 4.100 4.120 0.053 0.000 0.297 86 V C -0.960 175.223 176.094 0.149 0.000 1.024 86 V CA 0.303 62.645 62.300 0.071 0.000 1.105 86 V CB 0.403 32.235 31.823 0.015 0.000 0.938 86 V HN -0.551 7.650 8.190 0.019 0.000 0.482 87 S N 3.146 118.901 115.700 0.090 0.000 2.593 87 S HA 0.205 4.732 4.470 0.094 0.000 0.297 87 S C 0.520 175.114 174.600 -0.010 0.000 1.112 87 S CA -1.900 56.330 58.200 0.050 0.000 1.043 87 S CB 3.481 66.686 63.200 0.008 0.000 1.054 87 S HN -0.462 7.883 8.310 0.057 0.000 0.516 88 D N 4.383 124.740 120.400 -0.072 0.000 2.154 88 D HA -0.404 4.184 4.640 -0.087 0.000 0.190 88 D C 1.385 177.643 176.300 -0.070 0.000 1.003 88 D CA 3.739 57.685 54.000 -0.090 0.000 0.849 88 D CB -0.097 40.627 40.800 -0.126 0.000 0.942 88 D HN 0.717 9.004 8.370 -0.138 0.000 0.446 89 A N -2.478 120.310 122.820 -0.054 0.000 1.908 89 A HA -0.351 3.949 4.320 -0.033 0.000 0.218 89 A C 1.773 179.357 177.584 -0.000 0.000 1.181 89 A CA 3.600 55.620 52.037 -0.028 0.000 0.627 89 A CB -0.645 18.341 19.000 -0.023 0.000 0.818 89 A HN 0.194 8.308 8.150 -0.064 -0.003 0.445 90 D N -1.336 119.068 120.400 0.007 0.000 2.116 90 D HA -0.275 4.390 4.640 0.042 0.000 0.193 90 D C 2.180 178.519 176.300 0.065 0.000 0.998 90 D CA 3.306 57.327 54.000 0.034 0.000 0.836 90 D CB -0.270 40.548 40.800 0.029 0.000 0.951 90 D HN -0.485 7.804 8.370 -0.003 0.079 0.449 91 I N -1.611 118.965 120.570 0.009 0.000 2.315 91 I HA -0.483 3.759 4.170 0.121 0.000 0.248 91 I C 2.044 178.199 176.117 0.063 0.000 1.117 91 I CA 1.459 62.739 61.300 -0.034 0.000 1.404 91 I CB -1.563 36.248 38.000 -0.315 0.000 1.071 91 I HN -0.254 7.940 8.210 -0.026 0.000 0.419 92 Q N -0.366 119.434 119.800 0.001 0.000 1.985 92 Q HA -0.473 3.846 4.340 -0.034 0.000 0.207 92 Q C 2.452 178.525 176.000 0.121 0.000 0.996 92 Q CA 3.654 59.467 55.803 0.016 0.000 0.851 92 Q CB -0.283 28.442 28.738 -0.021 0.000 0.921 92 Q HN 0.084 8.255 8.270 -0.033 0.079 0.418 93 E N -0.684 119.586 120.200 0.116 0.000 2.077 93 E HA -0.256 4.159 4.350 0.109 0.000 0.193 93 E C 2.812 179.547 176.600 0.225 0.000 0.989 93 E CA 2.724 59.203 56.400 0.131 0.000 0.800 93 E CB -0.149 29.600 29.700 0.082 0.000 0.746 93 E HN -0.527 7.880 8.360 0.080 0.000 0.452 94 L N -2.170 119.240 121.223 0.311 0.000 2.456 94 L HA -0.215 4.313 4.340 0.312 0.000 0.224 94 L C 1.424 178.694 176.870 0.667 0.000 1.148 94 L CA 2.646 57.749 54.840 0.439 0.000 0.825 94 L CB 0.050 42.348 42.059 0.399 0.000 0.937 94 L HN -0.318 8.068 8.230 0.261 0.000 0.450 95 F N -5.817 114.346 119.950 0.355 0.000 2.746 95 F HA 0.117 5.102 4.527 0.764 0.000 0.320 95 F C -0.583 175.346 175.800 0.214 0.000 1.097 95 F CA -0.661 57.596 58.000 0.428 0.000 1.195 95 F CB 0.956 40.091 39.000 0.225 0.000 1.056 95 F HN -0.467 8.002 8.300 0.605 0.194 0.562 96 A N -1.003 122.006 122.820 0.316 0.000 1.938 96 A HA -0.123 4.258 4.320 0.103 0.000 0.207 96 A C 1.328 179.026 177.584 0.190 0.000 1.292 96 A CA 1.299 53.436 52.037 0.167 0.000 0.700 96 A CB 0.647 19.697 19.000 0.084 0.000 0.947 96 A HN -0.120 8.081 8.150 0.333 0.149 0.476 97 E N -0.485 119.806 120.200 0.152 0.000 2.233 97 E HA -0.354 4.030 4.350 0.057 0.000 0.199 97 E C 2.327 178.968 176.600 0.069 0.000 1.004 97 E CA 2.620 59.062 56.400 0.069 0.000 0.819 97 E CB -0.675 29.026 29.700 0.002 0.000 0.738 97 E HN -0.349 8.001 8.360 0.158 0.105 0.478 98 F N -2.928 117.078 119.950 0.092 0.000 2.192 98 F HA -0.385 4.158 4.527 0.026 0.000 0.301 98 F C 0.031 175.877 175.800 0.076 0.000 1.079 98 F CA 2.689 60.734 58.000 0.074 0.000 1.303 98 F CB 0.334 39.404 39.000 0.117 0.000 1.024 98 F HN -0.200 8.279 8.300 0.375 0.046 0.494 99 G N -5.224 103.747 108.800 0.285 0.000 3.815 99 G HA2 0.004 4.042 3.960 0.130 0.000 0.112 99 G HA3 0.004 4.293 3.960 0.196 -0.211 0.112 99 G C -1.865 173.133 174.900 0.164 0.000 2.124 99 G CA 0.238 45.451 45.100 0.189 0.000 0.991 99 G HN -0.116 8.217 8.290 0.295 0.135 0.287 100 T N 4.257 118.936 114.554 0.209 0.000 2.840 100 T HA 0.248 4.659 4.350 0.101 0.000 0.287 100 T C -1.780 172.996 174.700 0.127 0.000 0.991 100 T CA -0.502 61.689 62.100 0.152 0.000 0.964 100 T CB 2.009 70.961 68.868 0.140 0.000 0.954 100 T HN 0.157 9.011 8.240 0.286 -0.443 0.438 101 L N 5.686 126.898 121.223 -0.018 0.000 2.404 101 L HA 0.197 4.256 4.340 -0.468 0.000 0.272 101 L C -1.198 175.590 176.870 -0.137 0.000 0.980 101 L CA -1.177 53.519 54.840 -0.241 0.000 0.836 101 L CB 2.038 43.931 42.059 -0.276 0.000 1.238 101 L HN 0.448 8.684 8.230 0.010 0.000 0.408 102 K N 5.423 125.759 120.400 -0.108 0.000 2.097 102 K HA -0.177 4.142 4.320 -0.002 0.000 0.205 102 K C -0.296 176.270 176.600 -0.057 0.000 1.050 102 K CA 1.931 58.207 56.287 -0.018 0.000 0.938 102 K CB 0.842 33.390 32.500 0.079 0.000 0.718 102 K HN 0.492 8.579 8.250 -0.136 0.082 0.442 103 K N -4.186 116.122 120.400 -0.153 0.000 2.660 103 K HA 0.109 4.334 4.320 -0.159 0.000 0.285 103 K C -2.885 173.523 176.600 -0.321 0.000 0.997 103 K CA 0.007 56.166 56.287 -0.214 0.000 0.861 103 K CB 2.337 34.707 32.500 -0.217 0.000 1.469 103 K HN -0.354 7.771 8.250 -0.207 0.000 0.395 104 A N 1.274 123.930 122.820 -0.272 0.000 2.679 104 A HA 0.380 4.596 4.320 -0.356 -0.110 0.288 104 A C -2.184 175.260 177.584 -0.233 0.000 1.160 104 A CA -0.086 51.776 52.037 -0.292 0.000 0.763 104 A CB 1.483 20.326 19.000 -0.261 0.000 1.270 104 A HN 0.407 8.429 8.150 -0.213 0.000 0.417 105 A N 3.709 126.389 122.820 -0.233 0.000 2.335 105 A HA 0.564 5.004 4.320 -0.137 -0.202 0.304 105 A C -1.936 175.581 177.584 -0.111 0.000 1.118 105 A CA -1.477 50.468 52.037 -0.154 0.000 0.757 105 A CB 2.762 21.684 19.000 -0.130 0.000 1.188 105 A HN 0.769 8.749 8.150 -0.284 0.000 0.460 106 V N 3.610 123.493 119.914 -0.052 0.000 2.607 106 V HA 0.021 4.125 4.120 -0.027 0.000 0.289 106 V C -1.817 174.360 176.094 0.139 0.000 1.053 106 V CA -1.569 60.750 62.300 0.032 0.000 0.996 106 V CB 1.885 33.774 31.823 0.109 0.000 0.995 106 V HN 0.377 8.532 8.190 -0.058 0.000 0.476 107 D N 8.182 128.641 120.400 0.098 0.000 2.383 107 D HA -0.013 4.694 4.640 0.111 0.000 0.252 107 D C -1.564 174.841 176.300 0.174 0.000 1.166 107 D CA 1.064 55.129 54.000 0.109 0.000 0.879 107 D CB 0.625 41.446 40.800 0.036 0.000 1.164 107 D HN -0.088 8.306 8.370 0.040 0.000 0.462 108 Y N 2.336 122.629 120.300 -0.011 0.000 2.376 108 Y HA -0.012 4.543 4.550 0.008 0.000 0.340 108 Y C -0.432 175.470 175.900 0.004 0.000 0.965 108 Y CA -0.484 57.617 58.100 0.001 0.000 1.078 108 Y CB 2.928 41.387 38.460 -0.001 0.000 1.193 108 Y HN 0.087 8.511 8.280 0.240 0.000 0.452 109 D N 2.990 123.414 120.400 0.040 0.000 2.278 109 D HA -0.101 4.558 4.640 0.031 0.000 0.240 109 D C 0.666 177.010 176.300 0.072 0.000 1.347 109 D CA 0.405 54.426 54.000 0.036 0.000 0.945 109 D CB 1.551 42.350 40.800 -0.001 0.000 1.175 109 D HN 0.076 8.395 8.370 -0.084 0.000 0.519 110 R N -0.941 119.586 120.500 0.045 0.000 2.449 110 R HA 0.040 4.412 4.340 0.054 0.000 0.262 110 R C 0.072 176.395 176.300 0.039 0.000 1.006 110 R CA 0.599 56.725 56.100 0.043 0.000 1.104 110 R CB -0.079 30.237 30.300 0.028 0.000 1.206 110 R HN 0.284 8.572 8.270 0.030 0.000 0.538 111 S N -1.785 113.942 115.700 0.046 0.000 2.554 111 S HA 0.081 4.567 4.470 0.026 0.000 0.227 111 S C 0.204 174.837 174.600 0.055 0.000 1.050 111 S CA 0.423 58.645 58.200 0.035 0.000 0.927 111 S CB 0.907 64.118 63.200 0.017 0.000 0.859 111 S HN -0.194 8.043 8.310 0.055 0.105 0.494 112 G N 0.143 109.007 108.800 0.107 0.000 2.145 112 G HA2 -0.199 3.893 3.960 0.221 0.000 0.145 112 G HA3 -0.199 3.826 3.960 0.109 0.000 0.145 112 G C -1.917 173.126 174.900 0.238 0.000 1.017 112 G CA -0.295 44.908 45.100 0.172 0.000 0.682 112 G HN -0.252 8.108 8.290 0.116 0.000 0.504 113 R N -1.624 118.948 120.500 0.120 0.000 2.651 113 R HA 0.247 4.576 4.340 -0.017 0.000 0.278 113 R C -1.303 174.657 176.300 -0.565 0.000 1.010 113 R CA -1.646 54.389 56.100 -0.109 0.000 0.896 113 R CB 2.993 33.285 30.300 -0.013 0.000 1.211 113 R HN -0.434 7.890 8.270 0.090 0.000 0.456 114 S N 2.098 117.128 115.700 -1.117 0.000 2.555 114 S HA -0.112 3.773 4.470 -1.230 -0.154 0.293 114 S C 1.599 175.982 174.600 -0.362 0.000 1.248 114 S CA 0.635 58.243 58.200 -0.988 0.000 1.096 114 S CB -0.208 62.554 63.200 -0.731 0.000 0.881 114 S HN 0.357 8.089 8.310 -0.964 0.000 0.498 115 L N 1.656 122.736 121.223 -0.238 0.000 2.189 115 L HA -0.130 4.159 4.340 -0.085 0.000 0.214 115 L C 0.550 177.361 176.870 -0.098 0.000 1.097 115 L CA 1.001 55.774 54.840 -0.112 0.000 0.764 115 L CB -0.140 41.881 42.059 -0.064 0.000 0.900 115 L HN -0.370 7.711 8.230 -0.247 0.000 0.436 116 G N -4.123 104.603 108.800 -0.123 0.000 2.192 116 G HA2 -0.108 3.840 3.960 -0.133 0.000 0.152 116 G HA3 -0.108 3.801 3.960 -0.086 0.000 0.152 116 G C -1.204 173.652 174.900 -0.072 0.000 1.057 116 G CA -0.855 44.183 45.100 -0.104 0.000 0.748 116 G HN 0.016 8.181 8.290 -0.154 0.032 0.488 117 T N 0.535 115.049 114.554 -0.067 0.000 2.942 117 T HA 0.081 4.411 4.350 -0.033 0.000 0.327 117 T C -2.780 171.901 174.700 -0.031 0.000 1.360 117 T CA -0.400 61.677 62.100 -0.037 0.000 1.055 117 T CB 3.336 72.192 68.868 -0.020 0.000 1.261 117 T HN -0.600 7.587 8.240 -0.087 0.000 0.485 118 A N 1.640 124.441 122.820 -0.032 0.000 2.454 118 A HA 0.406 4.851 4.320 -0.034 -0.145 0.302 118 A C -3.050 174.502 177.584 -0.054 0.000 1.079 118 A CA -1.656 50.348 52.037 -0.055 0.000 0.731 118 A CB 3.843 22.777 19.000 -0.110 0.000 1.299 118 A HN 1.026 9.032 8.150 -0.024 0.130 0.413 119 D N -0.094 120.256 120.400 -0.083 0.000 2.757 119 D HA 0.490 5.127 4.640 -0.005 0.000 0.249 119 D C -1.863 174.323 176.300 -0.189 0.000 1.168 119 D CA -0.450 53.511 54.000 -0.065 0.000 0.870 119 D CB 4.158 44.951 40.800 -0.011 0.000 1.411 119 D HN 0.080 8.285 8.370 -0.102 0.104 0.525 120 V N 3.064 122.900 119.914 -0.130 0.000 2.888 120 V HA 0.630 4.584 4.120 -0.441 -0.098 0.309 120 V C -3.148 172.976 176.094 0.050 0.000 1.114 120 V CA -2.180 59.984 62.300 -0.226 0.000 0.940 120 V CB 3.627 35.295 31.823 -0.258 0.000 1.021 120 V HN 0.601 8.807 8.190 0.027 0.000 0.426 121 H N 6.243 125.295 119.070 -0.030 0.000 2.492 121 H HA 0.325 4.989 4.556 0.181 0.000 0.345 121 H C -1.081 174.218 175.328 -0.048 0.000 1.136 121 H CA -2.337 53.743 56.048 0.053 0.000 1.202 121 H CB 3.221 32.997 29.762 0.024 0.000 1.524 121 H HN 0.781 8.710 8.280 -0.385 0.120 0.506 122 F N 0.363 120.417 119.950 0.174 0.000 2.492 122 F HA 0.246 4.845 4.527 0.121 0.000 0.327 122 F C 0.351 176.200 175.800 0.083 0.000 1.079 122 F CA -0.918 57.150 58.000 0.114 0.000 0.967 122 F CB 2.776 41.824 39.000 0.080 0.000 1.169 122 F HN 0.826 9.437 8.300 0.519 0.000 0.472 123 E N 0.635 120.970 120.200 0.224 0.000 2.358 123 E HA -0.110 4.310 4.350 0.116 0.000 0.195 123 E C -0.317 176.363 176.600 0.134 0.000 1.010 123 E CA 1.863 58.347 56.400 0.141 0.000 0.856 123 E CB 0.599 30.359 29.700 0.099 0.000 0.795 123 E HN 0.114 8.604 8.360 0.217 0.000 0.504 124 R N -4.935 115.670 120.500 0.174 0.000 2.846 124 R HA 0.263 4.648 4.340 0.074 0.000 0.263 124 R C -1.146 175.191 176.300 0.061 0.000 1.080 124 R CA -1.346 54.815 56.100 0.101 0.000 0.961 124 R CB 2.076 32.425 30.300 0.082 0.000 1.231 124 R HN -0.712 7.673 8.270 0.272 0.048 0.465 125 R N -0.864 119.636 120.500 -0.001 0.000 2.128 125 R HA -0.064 4.228 4.340 -0.080 0.000 0.211 125 R C 1.543 177.770 176.300 -0.121 0.000 1.067 125 R CA 2.079 58.141 56.100 -0.064 0.000 1.010 125 R CB -0.329 29.942 30.300 -0.049 0.000 0.922 125 R HN 0.611 8.885 8.270 0.007 0.000 0.457 126 A N -1.234 121.540 122.820 -0.076 0.000 1.892 126 A HA -0.321 3.942 4.320 -0.095 0.000 0.218 126 A C 2.058 179.545 177.584 -0.162 0.000 1.188 126 A CA 3.407 55.391 52.037 -0.087 0.000 0.631 126 A CB -1.143 17.840 19.000 -0.029 0.000 0.822 126 A HN 0.196 8.324 8.150 -0.036 0.000 0.447 127 D N -2.215 118.097 120.400 -0.147 0.000 2.117 127 D HA -0.301 4.214 4.640 -0.208 0.000 0.198 127 D C 1.500 177.301 176.300 -0.832 0.000 0.982 127 D CA 3.630 57.470 54.000 -0.268 0.000 0.828 127 D CB -0.565 40.322 40.800 0.144 0.000 0.967 127 D HN -0.039 8.300 8.370 -0.052 0.000 0.464 128 A N -0.352 121.927 122.820 -0.902 0.000 1.849 128 A HA -0.245 2.940 4.320 -1.891 0.000 0.217 128 A C 2.244 179.430 177.584 -0.664 0.000 1.202 128 A CA 3.057 54.461 52.037 -1.055 0.000 0.629 128 A CB -0.648 18.033 19.000 -0.531 0.000 0.834 128 A HN -0.705 7.058 8.150 -0.531 0.069 0.447 129 L N -3.890 117.081 121.223 -0.419 0.000 2.127 129 L HA -0.249 3.934 4.340 -0.263 0.000 0.211 129 L C 1.779 178.429 176.870 -0.365 0.000 1.089 129 L CA 2.588 57.244 54.840 -0.306 0.000 0.757 129 L CB -0.804 41.135 42.059 -0.199 0.000 0.899 129 L HN -0.134 7.884 8.230 -0.353 0.000 0.434 130 K N -0.214 119.911 120.400 -0.459 0.000 1.965 130 K HA -0.453 3.698 4.320 -0.282 0.000 0.218 130 K C 2.128 178.265 176.600 -0.772 0.000 1.048 130 K CA 3.558 59.550 56.287 -0.492 0.000 0.960 130 K CB -0.375 31.851 32.500 -0.458 0.000 0.732 130 K HN -0.462 7.411 8.250 -0.460 0.101 0.444 131 A N -1.798 120.137 122.820 -1.476 0.000 2.070 131 A HA -0.216 3.158 4.320 -1.577 0.000 0.220 131 A C 2.326 179.428 177.584 -0.804 0.000 1.159 131 A CA 2.682 53.777 52.037 -1.570 0.000 0.656 131 A CB -0.948 16.994 19.000 -1.762 0.000 0.800 131 A HN -0.296 6.836 8.150 -1.696 0.000 0.453 132 M N -0.794 118.481 119.600 -0.541 0.000 2.066 132 M HA -0.415 3.997 4.480 -0.114 0.000 0.259 132 M C 1.537 177.737 176.300 -0.167 0.000 1.074 132 M CA 3.662 58.814 55.300 -0.246 0.000 1.114 132 M CB 0.172 32.638 32.600 -0.223 0.000 1.306 132 M HN -0.095 7.673 8.290 -0.648 0.133 0.411 133 K N -3.884 116.401 120.400 -0.192 0.000 2.288 133 K HA -0.291 3.985 4.320 -0.074 0.000 0.201 133 K C 2.861 179.391 176.600 -0.117 0.000 1.048 133 K CA 2.561 58.776 56.287 -0.120 0.000 0.956 133 K CB -0.634 31.800 32.500 -0.110 0.000 0.746 133 K HN -0.307 7.798 8.250 -0.241 0.000 0.461 134 Q N -2.038 117.626 119.800 -0.225 0.000 2.245 134 Q HA -0.080 4.195 4.340 -0.107 0.000 0.201 134 Q C 1.151 177.081 176.000 -0.117 0.000 0.955 134 Q CA 1.666 57.335 55.803 -0.224 0.000 0.870 134 Q CB 0.251 28.785 28.738 -0.340 0.000 0.945 134 Q HN -0.308 7.633 8.270 -0.333 0.129 0.461 135 Y N -4.568 115.710 120.300 -0.037 0.000 2.445 135 Y HA 0.086 4.652 4.550 0.026 0.000 0.247 135 Y C -0.351 175.560 175.900 0.019 0.000 1.129 135 Y CA -2.245 55.859 58.100 0.006 0.000 1.251 135 Y CB 0.643 39.112 38.460 0.014 0.000 1.176 135 Y HN -0.312 7.647 8.280 -0.173 0.218 0.522 136 K N 2.680 123.153 120.400 0.120 0.000 2.366 136 K HA -0.333 4.038 4.320 0.085 0.000 0.279 136 K C 0.523 177.164 176.600 0.069 0.000 1.098 136 K CA 1.548 57.880 56.287 0.074 0.000 1.087 136 K CB -0.928 31.584 32.500 0.021 0.000 0.901 136 K HN -0.480 7.639 8.250 0.052 0.163 0.463 137 G N 5.973 114.814 108.800 0.068 0.000 2.212 137 G HA2 -0.372 3.692 3.960 0.038 0.000 0.267 137 G HA3 -0.372 3.608 3.960 0.034 0.000 0.267 137 G C -0.477 174.456 174.900 0.054 0.000 1.002 137 G CA 0.852 45.980 45.100 0.047 0.000 0.729 137 G HN 0.093 8.477 8.290 0.075 -0.049 0.517 138 V N 1.673 121.640 119.914 0.089 0.000 2.617 138 V HA 0.368 4.529 4.120 0.069 0.000 0.298 138 V C -1.831 174.306 176.094 0.072 0.000 1.048 138 V CA -3.291 59.067 62.300 0.096 0.000 0.964 138 V CB 1.795 33.717 31.823 0.164 0.000 1.004 138 V HN -0.150 7.931 8.190 0.118 0.179 0.466 139 P HA 0.006 4.559 4.420 0.002 -0.132 0.272 139 P C -1.820 175.486 177.300 0.009 0.000 1.230 139 P CA -0.871 62.240 63.100 0.019 0.000 0.788 139 P CB 0.536 32.247 31.700 0.018 0.000 0.949 140 L N 3.200 124.411 121.223 -0.020 0.000 2.481 140 L HA 0.225 4.545 4.340 -0.034 0.000 0.255 140 L C -0.869 175.990 176.870 -0.018 0.000 1.192 140 L CA -0.207 54.609 54.840 -0.039 0.000 0.924 140 L CB -0.579 41.431 42.059 -0.083 0.000 1.179 140 L HN 0.107 8.295 8.230 -0.025 0.026 0.491 141 D N 2.348 122.748 120.400 0.001 0.000 3.028 141 D HA -0.248 4.402 4.640 0.017 0.000 0.207 141 D C -0.624 175.682 176.300 0.009 0.000 1.100 141 D CA 1.203 55.209 54.000 0.011 0.000 0.995 141 D CB -0.014 40.794 40.800 0.014 0.000 1.108 141 D HN 0.328 8.703 8.370 0.009 0.000 0.421 142 G N -4.720 104.079 108.800 -0.001 0.000 2.192 142 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.152 142 G HA3 -0.183 3.781 3.960 0.006 0.000 0.152 142 G C -2.055 172.825 174.900 -0.034 0.000 1.057 142 G CA -0.461 44.636 45.100 -0.005 0.000 0.748 142 G HN -0.470 7.740 8.290 -0.005 0.077 0.488 143 R N -2.658 117.814 120.500 -0.045 0.000 2.603 143 R HA 0.305 4.590 4.340 -0.092 0.000 0.280 143 R C -3.213 173.052 176.300 -0.059 0.000 1.185 143 R CA -2.358 53.692 56.100 -0.082 0.000 1.039 143 R CB 0.894 31.113 30.300 -0.134 0.000 1.247 143 R HN -0.368 7.969 8.270 -0.030 -0.085 0.413 144 P HA 0.012 4.591 4.420 -0.004 -0.161 0.271 144 P C -1.243 176.043 177.300 -0.024 0.000 1.216 144 P CA -0.309 62.777 63.100 -0.023 0.000 0.771 144 P CB 0.422 32.111 31.700 -0.018 0.000 0.864 145 M N -1.368 118.236 119.600 0.006 0.000 2.631 145 M HA 0.452 5.116 4.480 -0.002 -0.186 0.288 145 M C -1.888 174.447 176.300 0.058 0.000 1.260 145 M CA -1.118 54.194 55.300 0.020 0.000 0.842 145 M CB 4.299 36.912 32.600 0.022 0.000 1.743 145 M HN 0.054 8.359 8.290 0.025 0.000 0.461 146 D N 0.583 121.019 120.400 0.060 0.000 2.593 146 D HA 0.466 5.230 4.640 0.082 -0.076 0.251 146 D C -1.914 174.443 176.300 0.095 0.000 1.140 146 D CA -0.345 53.697 54.000 0.071 0.000 0.855 146 D CB 4.178 45.002 40.800 0.039 0.000 1.267 146 D HN 0.391 8.788 8.370 0.044 0.000 0.532 147 I N 3.037 123.682 120.570 0.125 0.000 2.396 147 I HA 0.001 4.269 4.170 0.163 0.000 0.292 147 I C -1.104 175.060 176.117 0.079 0.000 0.999 147 I CA -0.756 60.631 61.300 0.146 0.000 1.310 147 I CB 0.962 39.085 38.000 0.205 0.000 1.404 147 I HN 0.284 8.567 8.210 0.122 0.000 0.496 148 Q N 7.565 127.411 119.800 0.077 0.000 2.356 148 Q HA 0.289 4.645 4.340 0.026 0.000 0.270 148 Q C -2.034 173.991 176.000 0.041 0.000 1.058 148 Q CA -1.662 54.167 55.803 0.044 0.000 0.802 148 Q CB 3.612 32.373 28.738 0.038 0.000 1.303 148 Q HN 0.191 8.417 8.270 0.102 0.105 0.444 149 L N 6.101 127.331 121.223 0.012 0.000 2.319 149 L HA 0.182 4.528 4.340 0.011 0.000 0.280 149 L C -0.766 176.112 176.870 0.013 0.000 1.099 149 L CA 0.106 54.948 54.840 0.003 0.000 0.828 149 L CB 0.662 42.705 42.059 -0.027 0.000 1.150 149 L HN 0.367 8.598 8.230 0.002 0.000 0.442 150 V N 8.075 128.005 119.914 0.027 0.000 2.656 150 V HA 0.192 4.317 4.120 0.009 0.000 0.307 150 V C -1.900 174.198 176.094 0.006 0.000 1.051 150 V CA -1.666 60.646 62.300 0.020 0.000 0.893 150 V CB 4.130 35.974 31.823 0.034 0.000 0.999 150 V HN 0.906 9.023 8.190 0.043 0.099 0.426 151 A N 7.295 130.110 122.820 -0.009 0.000 2.410 151 A HA -0.014 4.504 4.320 -0.015 -0.207 0.292 151 A C -0.504 177.060 177.584 -0.032 0.000 1.232 151 A CA -0.402 51.624 52.037 -0.019 0.000 0.893 151 A CB -0.774 18.211 19.000 -0.025 0.000 1.131 151 A HN 0.311 8.456 8.150 -0.009 0.000 0.530 152 S N 3.004 118.680 115.700 -0.039 0.000 2.618 152 S HA -0.085 4.320 4.470 -0.109 0.000 0.254 152 S C 1.938 176.502 174.600 -0.059 0.000 1.284 152 S CA -0.163 57.990 58.200 -0.078 0.000 0.975 152 S CB 0.899 64.045 63.200 -0.090 0.000 1.022 152 S HN -0.178 8.329 8.310 -0.023 -0.211 0.571 153 Q N -1.155 118.605 119.800 -0.067 0.000 2.488 153 Q HA -0.084 4.234 4.340 -0.037 0.000 0.211 153 Q C -0.310 175.676 176.000 -0.024 0.000 0.967 153 Q CA 2.151 57.929 55.803 -0.041 0.000 0.926 153 Q CB -0.157 28.557 28.738 -0.040 0.000 0.992 153 Q HN 0.372 8.584 8.270 -0.097 0.000 0.506 154 I N -8.627 111.930 120.570 -0.021 0.000 3.856 154 I HA 0.316 4.486 4.170 -0.001 0.000 0.330 154 I C -1.155 174.958 176.117 -0.007 0.000 1.546 154 I CA -2.087 59.210 61.300 -0.006 0.000 1.132 154 I CB 0.086 38.089 38.000 0.005 0.000 1.157 154 I HN -0.621 7.495 8.210 -0.031 0.076 0.440 155 D N 0.836 121.225 120.400 -0.019 0.000 2.889 155 D HA 0.087 4.718 4.640 -0.015 0.000 0.243 155 D C 0.009 176.286 176.300 -0.039 0.000 1.270 155 D CA -0.031 53.955 54.000 -0.023 0.000 0.838 155 D CB 0.015 40.800 40.800 -0.025 0.000 1.040 155 D HN -0.656 7.629 8.370 -0.025 0.071 0.480 156 L N 0.562 121.761 121.223 -0.041 0.000 2.456 156 L HA 0.008 4.282 4.340 -0.110 0.000 0.246 156 L C 0.463 177.275 176.870 -0.097 0.000 1.238 156 L CA 1.214 56.003 54.840 -0.086 0.000 0.826 156 L CB 0.683 42.705 42.059 -0.062 0.000 1.150 156 L HN -0.089 8.036 8.230 -0.022 0.092 0.514 157 E N -2.838 117.245 120.200 -0.194 0.000 4.017 157 E HA 0.064 4.395 4.350 -0.031 0.000 0.205 157 E C -1.378 175.166 176.600 -0.094 0.000 1.054 157 E CA -0.119 56.214 56.400 -0.112 0.000 1.398 157 E CB 0.066 29.706 29.700 -0.100 0.000 1.164 157 E HN 0.219 8.363 8.360 -0.360 0.000 0.445 158 H N 3.110 122.181 119.070 0.002 0.000 2.410 158 H HA 0.238 4.729 4.556 -0.108 0.000 0.232 158 H C -0.631 174.580 175.328 -0.195 0.000 1.535 158 H CA -0.858 55.129 56.048 -0.102 0.000 1.310 158 H CB -0.690 28.998 29.762 -0.122 0.000 1.518 158 H HN 0.226 8.504 8.280 -0.004 0.000 0.545 159 H N 1.322 120.350 119.070 -0.070 0.000 2.544 159 H HA 0.127 4.628 4.556 -0.093 0.000 0.365 159 H C -0.975 174.212 175.328 -0.235 0.000 1.268 159 H CA -0.238 55.746 56.048 -0.106 0.000 1.400 159 H CB 0.724 30.480 29.762 -0.011 0.000 1.538 159 H HN 0.580 9.008 8.280 0.246 0.000 0.597 160 H N -1.458 117.630 119.070 0.030 0.000 2.737 160 H HA 0.127 4.585 4.556 -0.163 0.000 0.358 160 H C -0.674 174.692 175.328 0.065 0.000 1.187 160 H CA -0.762 55.244 56.048 -0.070 0.000 1.221 160 H CB 1.793 31.499 29.762 -0.094 0.000 1.799 160 H HN 0.708 9.117 8.280 0.215 0.000 0.568 161 H N -2.261 116.949 119.070 0.234 0.000 2.488 161 H HA 0.105 4.786 4.556 0.208 0.000 0.294 161 H C -0.394 175.054 175.328 0.200 0.000 1.088 161 H CA -0.802 55.361 56.048 0.193 0.000 1.086 161 H CB -0.462 29.378 29.762 0.130 0.000 1.569 161 H HN 0.228 8.316 8.280 -0.320 0.000 0.548 162 H N 1.529 120.589 119.070 -0.016 0.000 2.929 162 H HA -0.205 4.337 4.556 -0.023 0.000 0.358 162 H C -1.131 174.264 175.328 0.112 0.000 1.111 162 H CA 1.055 57.105 56.048 0.004 0.000 1.409 162 H CB 0.471 30.205 29.762 -0.047 0.000 1.373 162 H HN 0.040 8.341 8.280 0.179 0.087 0.610 163 H N 0.000 118.827 119.070 -0.405 0.000 2.539 163 H HA 0.000 4.524 4.556 -0.054 0.000 0.296 163 H CA 0.000 55.932 56.048 -0.193 0.000 1.023 163 H CB 0.000 29.713 29.762 -0.082 0.000 1.292 163 H HN 0.000 7.790 8.280 -0.816 0.000 0.496