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 2kr2_1_A DATA FIRST_RESID 1 DATA SEQUENCE GAMSGLADKV IWAVNAGGES HVDVHGIHYR KDPLEGRVGR ASDYGMKLPI DATA SEQUENCE LRSNPEDQVL YQTERYNEDS FGYDIPIKEE GEYVLVLKFA EVYFAQSQQK DATA SEQUENCE VFDVRVNGHT VVKDLDIFDR VGHSTAHDEI IPISIKKGKL SVQGEVSTFT DATA SEQUENCE GKLSVEFVKG YYDNPKVCAL FIMKGTADDV PMLQPHPGLE 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 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 1 G C 0.000 174.896 174.900 -0.007 0.000 0.946 1 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 2 A N 3.973 126.789 122.820 -0.006 0.000 2.303 2 A HA 0.453 4.769 4.320 -0.006 0.000 0.320 2 A C -0.666 176.915 177.584 -0.006 0.000 1.192 2 A CA -0.292 51.742 52.037 -0.005 0.000 0.821 2 A CB 0.980 19.979 19.000 -0.003 0.000 1.188 2 A HN -0.123 8.024 8.150 -0.005 0.000 0.492 3 M N 1.477 121.072 119.600 -0.007 0.000 2.106 3 M HA 0.180 4.655 4.480 -0.007 0.000 0.288 3 M C -1.019 175.278 176.300 -0.006 0.000 0.941 3 M CA 0.032 55.327 55.300 -0.008 0.000 0.934 3 M CB 0.616 33.207 32.600 -0.015 0.000 1.551 3 M HN 0.180 8.465 8.290 -0.007 0.000 0.437 4 S N 2.689 118.388 115.700 -0.001 0.000 2.779 4 S HA 0.156 4.628 4.470 0.003 0.000 0.293 4 S C -0.746 173.860 174.600 0.010 0.000 1.150 4 S CA 0.170 58.373 58.200 0.005 0.000 1.057 4 S CB 1.321 64.527 63.200 0.010 0.000 1.021 4 S HN 0.302 8.611 8.310 -0.001 0.000 0.485 5 G N 5.217 114.025 108.800 0.013 0.000 2.802 5 G HA2 -0.019 3.958 3.960 0.029 0.000 0.273 5 G HA3 -0.019 3.950 3.960 0.016 0.000 0.273 5 G C -2.169 172.749 174.900 0.029 0.000 3.313 5 G CA 0.924 46.036 45.100 0.021 0.000 0.606 5 G HN 0.375 8.670 8.290 0.009 0.000 0.377 6 L N 3.425 124.677 121.223 0.049 0.000 2.145 6 L HA 0.010 4.395 4.340 0.074 0.000 0.201 6 L C 0.625 177.559 176.870 0.107 0.000 1.075 6 L CA 1.512 56.401 54.840 0.081 0.000 0.773 6 L CB 0.428 42.533 42.059 0.076 0.000 0.936 6 L HN -0.035 8.226 8.230 0.052 0.000 0.451 7 A N -1.388 121.485 122.820 0.088 0.000 2.070 7 A HA -0.210 4.265 4.320 0.095 -0.098 0.220 7 A C 1.313 178.938 177.584 0.068 0.000 1.159 7 A CA 2.325 54.409 52.037 0.078 0.000 0.656 7 A CB -1.334 17.697 19.000 0.051 0.000 0.800 7 A HN 0.339 8.538 8.150 0.082 0.000 0.453 8 D N -5.835 114.597 120.400 0.053 0.000 2.348 8 D HA -0.048 4.617 4.640 0.042 0.000 0.211 8 D C 0.444 176.768 176.300 0.039 0.000 0.998 8 D CA 1.271 55.295 54.000 0.041 0.000 0.873 8 D CB 0.054 40.870 40.800 0.026 0.000 0.925 8 D HN -0.098 8.261 8.370 0.050 0.041 0.524 9 K N -3.179 117.249 120.400 0.046 0.000 2.367 9 K HA 0.124 4.450 4.320 0.010 0.000 0.195 9 K C 0.181 176.818 176.600 0.061 0.000 1.060 9 K CA -0.500 55.802 56.287 0.026 0.000 1.022 9 K CB 1.077 33.569 32.500 -0.013 0.000 0.894 9 K HN -0.699 7.434 8.250 0.061 0.152 0.540 10 V N 1.411 121.399 119.914 0.123 0.000 2.694 10 V HA -0.370 3.864 4.120 0.191 0.000 0.306 10 V C -0.020 176.174 176.094 0.166 0.000 1.054 10 V CA 2.234 64.645 62.300 0.185 0.000 1.161 10 V CB 0.135 32.111 31.823 0.256 0.000 0.916 10 V HN -0.782 7.486 8.190 0.130 0.000 0.490 11 I N 3.390 124.086 120.570 0.210 0.000 4.433 11 I HA 0.338 4.619 4.170 0.185 0.000 0.322 11 I C -0.410 175.906 176.117 0.332 0.000 1.284 11 I CA 0.244 61.683 61.300 0.231 0.000 1.269 11 I CB 1.768 39.909 38.000 0.235 0.000 1.219 11 I HN -0.266 8.083 8.210 0.230 0.000 0.436 12 W N 1.530 122.893 121.300 0.104 0.000 3.651 12 W HA 0.211 4.916 4.660 0.076 0.000 0.322 12 W C -3.201 173.386 176.519 0.114 0.000 1.132 12 W CA 0.758 58.154 57.345 0.086 0.000 1.277 12 W CB 2.886 32.380 29.460 0.058 0.000 1.249 12 W HN -0.605 7.799 8.180 0.373 0.000 0.448 13 A N 7.103 129.754 122.820 -0.282 0.000 2.381 13 A HA 0.346 4.686 4.320 -0.098 -0.079 0.299 13 A C -2.839 174.475 177.584 -0.450 0.000 1.049 13 A CA -0.681 51.234 52.037 -0.204 0.000 0.715 13 A CB 3.118 22.183 19.000 0.107 0.000 1.222 13 A HN 0.452 8.358 8.150 -0.407 0.000 0.428 14 V N 2.326 121.932 119.914 -0.515 0.000 2.686 14 V HA 0.151 4.173 4.120 -0.163 0.000 0.306 14 V C -2.429 173.380 176.094 -0.475 0.000 1.065 14 V CA -1.171 60.847 62.300 -0.470 0.000 0.894 14 V CB 3.466 34.869 31.823 -0.699 0.000 1.004 14 V HN 0.036 7.866 8.190 -0.414 0.111 0.424 15 N N 4.991 123.128 118.700 -0.938 0.000 2.476 15 N HA 0.185 4.854 4.740 -0.402 -0.171 0.257 15 N C -0.775 174.280 175.510 -0.759 0.000 0.970 15 N CA -1.028 51.566 53.050 -0.760 0.000 0.938 15 N CB 2.110 40.254 38.487 -0.572 0.000 1.144 15 N HN 0.186 7.516 8.380 -1.750 0.000 0.500 16 A N 6.532 129.201 122.820 -0.251 0.000 2.544 16 A HA 0.149 4.469 4.320 -0.001 0.000 0.301 16 A C -1.609 175.969 177.584 -0.010 0.000 1.368 16 A CA 0.142 52.163 52.037 -0.026 0.000 1.045 16 A CB -0.597 18.501 19.000 0.163 0.000 1.129 16 A HN 0.363 8.409 8.150 -0.173 0.000 0.540 17 G N 2.184 110.995 108.800 0.018 0.000 4.371 17 G HA2 -0.051 3.957 3.960 0.079 0.000 0.160 17 G HA3 -0.051 4.035 3.960 0.025 -0.111 0.160 17 G C -1.079 173.891 174.900 0.117 0.000 1.271 17 G CA 1.249 46.386 45.100 0.060 0.000 0.982 17 G HN -0.383 7.927 8.290 0.034 0.000 0.318 18 G N -0.175 108.722 108.800 0.161 0.000 3.380 18 G HA2 0.116 4.158 3.960 0.137 0.000 0.188 18 G HA3 0.116 4.187 3.960 0.185 0.000 0.188 18 G C -2.598 172.478 174.900 0.294 0.000 1.892 18 G CA -0.871 44.350 45.100 0.202 0.000 0.912 18 G HN -0.638 7.731 8.290 0.131 0.000 0.609 19 E N -1.178 119.190 120.200 0.280 0.000 2.677 19 E HA -0.054 4.279 4.350 -0.029 0.000 0.330 19 E C -2.088 174.403 176.600 -0.182 0.000 0.933 19 E CA -0.094 56.320 56.400 0.023 0.000 0.797 19 E CB 1.466 31.179 29.700 0.022 0.000 1.326 19 E HN -0.111 8.421 8.360 0.286 0.000 0.404 20 S N 3.473 118.719 115.700 -0.757 0.000 3.459 20 S HA -0.396 3.896 4.470 -0.798 -0.301 0.622 20 S C -1.306 173.278 174.600 -0.027 0.000 0.790 20 S CA 1.429 59.344 58.200 -0.474 0.000 1.329 20 S CB -0.114 62.990 63.200 -0.161 0.000 1.315 20 S HN 0.057 7.479 8.310 -1.479 0.000 0.683 21 H N 5.767 124.871 119.070 0.056 0.000 2.759 21 H HA 0.288 4.815 4.556 -0.049 0.000 0.354 21 H C -1.939 173.359 175.328 -0.050 0.000 1.074 21 H CA -0.493 55.582 56.048 0.045 0.000 1.226 21 H CB 3.542 33.370 29.762 0.111 0.000 1.648 21 H HN -0.341 8.052 8.280 0.188 0.000 0.529 22 V N 8.187 127.536 119.914 -0.942 0.000 2.333 22 V HA 0.163 4.154 4.120 -0.514 -0.180 0.274 22 V C -0.657 174.980 176.094 -0.762 0.000 1.028 22 V CA -1.174 60.676 62.300 -0.751 0.000 0.851 22 V CB 0.934 32.348 31.823 -0.682 0.000 1.000 22 V HN 0.396 7.939 8.190 -1.079 0.000 0.456 23 D N 6.483 126.669 120.400 -0.358 0.000 2.348 23 D HA 0.108 4.681 4.640 -0.112 0.000 0.249 23 D C 1.589 177.764 176.300 -0.208 0.000 1.110 23 D CA -1.928 51.963 54.000 -0.182 0.000 0.967 23 D CB 1.769 42.507 40.800 -0.104 0.000 1.139 23 D HN 0.410 8.517 8.370 -0.248 0.114 0.466 24 V N -1.788 117.978 119.914 -0.246 0.000 2.527 24 V HA -0.315 3.668 4.120 -0.228 0.000 0.255 24 V C 0.376 176.257 176.094 -0.355 0.000 1.081 24 V CA 2.634 64.740 62.300 -0.323 0.000 1.092 24 V CB -0.376 31.221 31.823 -0.376 0.000 0.673 24 V HN 0.203 8.262 8.190 -0.217 0.000 0.470 25 H N -2.853 116.172 119.070 -0.076 0.000 2.547 25 H HA 0.197 4.733 4.556 -0.034 0.000 0.272 25 H C 0.618 175.916 175.328 -0.051 0.000 0.971 25 H CA 0.508 56.527 56.048 -0.048 0.000 1.245 25 H CB 0.870 30.613 29.762 -0.030 0.000 1.440 25 H HN -0.706 7.540 8.280 -0.296 -0.144 0.540 26 G N -0.804 107.998 108.800 0.004 0.000 2.245 26 G HA2 -0.290 3.645 3.960 -0.088 0.000 0.130 26 G HA3 -0.290 3.668 3.960 -0.002 0.000 0.130 26 G C -1.571 173.319 174.900 -0.017 0.000 1.040 26 G CA -0.214 44.869 45.100 -0.029 0.000 0.713 26 G HN 0.012 8.300 8.290 -0.046 -0.027 0.488 27 I N 0.587 121.122 120.570 -0.059 0.000 2.339 27 I HA 0.265 4.444 4.170 0.015 0.000 0.290 27 I C -1.710 174.391 176.117 -0.025 0.000 0.994 27 I CA -2.642 58.619 61.300 -0.066 0.000 1.191 27 I CB 0.679 38.501 38.000 -0.296 0.000 1.343 27 I HN -0.581 7.780 8.210 -0.089 -0.205 0.458 28 H N 9.808 128.841 119.070 -0.062 0.000 2.489 28 H HA 0.562 5.359 4.556 -0.085 -0.292 0.343 28 H C -1.679 173.643 175.328 -0.011 0.000 1.086 28 H CA -2.995 53.016 56.048 -0.060 0.000 1.198 28 H CB 3.241 32.958 29.762 -0.076 0.000 1.490 28 H HN 0.339 8.702 8.280 0.138 0.000 0.504 29 Y N 6.169 126.566 120.300 0.161 0.000 2.334 29 Y HA 0.550 5.277 4.550 -0.160 -0.273 0.328 29 Y C -0.482 175.349 175.900 -0.115 0.000 1.130 29 Y CA -2.432 55.646 58.100 -0.036 0.000 1.163 29 Y CB 2.336 40.794 38.460 -0.003 0.000 1.207 29 Y HN 0.453 8.891 8.280 0.454 0.114 0.471 30 R N 5.886 126.222 120.500 -0.272 0.000 2.053 30 R HA -0.230 3.845 4.340 -0.443 0.000 0.174 30 R C -0.852 175.102 176.300 -0.577 0.000 0.971 30 R CA 2.467 58.333 56.100 -0.391 0.000 1.242 30 R CB 0.840 31.038 30.300 -0.170 0.000 0.679 30 R HN 0.254 8.555 8.270 0.053 0.000 0.567 31 K N -1.853 118.389 120.400 -0.262 0.000 2.323 31 K HA -0.025 4.150 4.320 -0.243 0.000 0.360 31 K C -2.094 174.566 176.600 0.101 0.000 1.549 31 K CA 0.239 56.443 56.287 -0.139 0.000 1.091 31 K CB 0.194 32.610 32.500 -0.141 0.000 1.414 31 K HN -0.273 7.952 8.250 -0.043 0.000 0.485 32 D N 2.639 123.199 120.400 0.267 0.000 2.735 32 D HA -0.249 4.556 4.640 0.275 0.000 0.235 32 D C -1.926 174.494 176.300 0.201 0.000 1.175 32 D CA 1.257 55.397 54.000 0.232 0.000 0.683 32 D CB -0.179 40.718 40.800 0.163 0.000 1.008 32 D HN -0.195 8.442 8.370 0.446 0.000 0.416 33 P HA 0.169 4.699 4.420 0.183 0.000 0.248 33 P C -0.920 176.550 177.300 0.284 0.000 1.708 33 P CA -0.124 63.130 63.100 0.256 0.000 1.062 33 P CB 0.268 32.136 31.700 0.279 0.000 1.562 34 L N -3.781 117.557 121.223 0.191 0.000 2.598 34 L HA 0.245 4.606 4.340 0.036 0.000 0.205 34 L C -1.127 175.738 176.870 -0.009 0.000 1.054 34 L CA 1.408 56.269 54.840 0.035 0.000 0.934 34 L CB 1.371 43.306 42.059 -0.207 0.000 1.704 34 L HN -0.601 7.668 8.230 0.189 0.075 0.491 35 E N 0.823 121.028 120.200 0.008 0.000 2.070 35 E HA 0.057 4.359 4.350 -0.080 0.000 0.261 35 E C 0.184 176.786 176.600 0.003 0.000 0.926 35 E CA -0.757 55.619 56.400 -0.040 0.000 0.760 35 E CB -0.496 29.156 29.700 -0.079 0.000 1.133 35 E HN -0.121 8.277 8.360 0.063 0.000 0.420 36 G N 4.759 113.556 108.800 -0.006 0.000 2.308 36 G HA2 -0.302 3.654 3.960 -0.007 0.000 0.221 36 G HA3 -0.302 3.668 3.960 0.016 0.000 0.221 36 G C 0.448 175.364 174.900 0.027 0.000 1.032 36 G CA 0.084 45.188 45.100 0.008 0.000 0.623 36 G HN 0.465 8.742 8.290 -0.022 0.000 0.506 37 R N -4.121 116.408 120.500 0.049 0.000 2.198 37 R HA -0.383 4.082 4.340 0.088 -0.072 0.155 37 R C -1.294 175.044 176.300 0.063 0.000 0.877 37 R CA 1.728 57.866 56.100 0.064 0.000 1.870 37 R CB -1.732 28.598 30.300 0.051 0.000 0.812 37 R HN 0.431 8.646 8.270 0.055 0.088 0.662 38 V N -1.769 118.174 119.914 0.048 0.000 2.482 38 V HA 0.285 4.433 4.120 0.047 0.000 0.295 38 V C -0.662 175.457 176.094 0.042 0.000 1.026 38 V CA -0.627 61.698 62.300 0.042 0.000 0.856 38 V CB 1.319 33.160 31.823 0.030 0.000 1.001 38 V HN -0.468 7.659 8.190 0.040 0.088 0.424 39 G N 5.731 114.560 108.800 0.049 0.000 2.795 39 G HA2 0.354 4.339 3.960 0.042 0.000 0.127 39 G HA3 0.354 4.350 3.960 0.060 0.000 0.127 39 G C -1.703 173.229 174.900 0.053 0.000 1.203 39 G CA 0.335 45.466 45.100 0.051 0.000 1.145 39 G HN 0.138 8.458 8.290 0.051 0.000 0.580 40 R N -1.361 119.180 120.500 0.067 0.000 3.080 40 R HA 0.503 5.007 4.340 0.054 -0.132 0.248 40 R C -1.329 175.024 176.300 0.089 0.000 1.324 40 R CA -1.373 54.766 56.100 0.065 0.000 1.036 40 R CB 2.933 33.264 30.300 0.053 0.000 1.360 40 R HN -0.015 8.302 8.270 0.078 0.000 0.479 41 A N -0.565 122.301 122.820 0.076 0.000 2.309 41 A HA 0.185 4.698 4.320 0.116 -0.124 0.298 41 A C -0.908 176.716 177.584 0.067 0.000 1.165 41 A CA -0.426 51.662 52.037 0.085 0.000 0.821 41 A CB 0.998 20.038 19.000 0.067 0.000 1.102 41 A HN 0.220 8.404 8.150 0.057 0.000 0.500 42 S N 2.759 118.510 115.700 0.085 0.000 2.605 42 S HA 0.162 4.621 4.470 -0.018 0.000 0.308 42 S C -1.859 172.750 174.600 0.014 0.000 1.113 42 S CA -0.159 58.077 58.200 0.060 0.000 1.049 42 S CB 1.475 64.807 63.200 0.221 0.000 1.001 42 S HN -0.091 8.284 8.310 0.108 0.000 0.480 43 D N 6.599 126.921 120.400 -0.130 0.000 2.421 43 D HA 0.361 5.001 4.640 0.001 0.000 0.254 43 D C -0.736 175.441 176.300 -0.204 0.000 1.238 43 D CA 0.040 53.985 54.000 -0.092 0.000 0.919 43 D CB 2.295 43.060 40.800 -0.058 0.000 1.152 43 D HN 0.353 8.576 8.370 -0.246 0.000 0.552 44 Y N 4.834 125.142 120.300 0.014 0.000 2.958 44 Y HA 0.032 4.614 4.550 0.053 0.000 0.336 44 Y C -0.983 174.974 175.900 0.095 0.000 1.160 44 Y CA -1.293 56.836 58.100 0.047 0.000 1.292 44 Y CB -1.026 37.451 38.460 0.027 0.000 1.306 44 Y HN 0.470 8.860 8.280 0.183 0.000 0.547 45 G N 1.185 110.078 108.800 0.155 0.000 2.720 45 G HA2 -0.184 3.863 3.960 0.145 0.000 0.207 45 G HA3 -0.184 3.888 3.960 0.186 0.000 0.207 45 G C -0.726 174.218 174.900 0.073 0.000 1.068 45 G CA -0.126 45.060 45.100 0.144 0.000 1.077 45 G HN -0.458 7.877 8.290 0.074 0.000 0.597 46 M N -0.534 119.091 119.600 0.041 0.000 2.495 46 M HA 0.083 4.575 4.480 0.019 0.000 0.237 46 M C -0.167 176.146 176.300 0.022 0.000 1.131 46 M CA 0.470 55.782 55.300 0.020 0.000 1.032 46 M CB 0.752 33.351 32.600 -0.002 0.000 1.513 46 M HN 0.174 8.486 8.290 0.036 0.000 0.488 47 K N -0.285 120.135 120.400 0.034 0.000 3.109 47 K HA 0.128 4.461 4.320 0.023 0.000 0.214 47 K C -1.384 175.241 176.600 0.041 0.000 1.196 47 K CA -0.713 55.593 56.287 0.031 0.000 1.115 47 K CB -0.395 32.123 32.500 0.029 0.000 1.103 47 K HN -0.144 8.073 8.250 0.047 0.061 0.467 48 L N 0.356 121.604 121.223 0.042 0.000 2.448 48 L HA 0.260 4.631 4.340 0.050 0.000 0.257 48 L C -2.621 174.275 176.870 0.042 0.000 1.504 48 L CA -1.665 53.205 54.840 0.050 0.000 0.852 48 L CB 0.964 43.060 42.059 0.063 0.000 1.051 48 L HN -0.419 7.759 8.230 0.036 0.074 0.518 49 P HA 0.086 4.520 4.420 0.024 0.000 0.272 49 P C -1.398 175.927 177.300 0.042 0.000 1.230 49 P CA -0.692 62.426 63.100 0.030 0.000 0.788 49 P CB 0.652 32.365 31.700 0.021 0.000 0.949 50 I N -0.350 120.248 120.570 0.045 0.000 2.395 50 I HA -0.020 4.185 4.170 0.059 0.000 0.289 50 I C 1.612 177.761 176.117 0.054 0.000 1.023 50 I CA -0.383 60.954 61.300 0.060 0.000 1.350 50 I CB 0.860 38.914 38.000 0.090 0.000 1.409 50 I HN 0.148 8.381 8.210 0.038 0.000 0.507 51 L N 7.392 128.645 121.223 0.050 0.000 2.418 51 L HA -0.078 4.284 4.340 0.037 0.000 0.218 51 L C -0.055 176.843 176.870 0.046 0.000 1.125 51 L CA 1.817 56.682 54.840 0.041 0.000 0.835 51 L CB 0.027 42.106 42.059 0.034 0.000 0.953 51 L HN 0.441 8.701 8.230 0.050 0.000 0.454 52 R N -4.250 116.287 120.500 0.061 0.000 2.515 52 R HA 0.156 4.531 4.340 0.059 0.000 0.294 52 R C -0.890 175.477 176.300 0.113 0.000 1.021 52 R CA -0.947 55.197 56.100 0.073 0.000 1.081 52 R CB -1.386 28.952 30.300 0.063 0.000 1.263 52 R HN -0.016 8.295 8.270 0.067 0.000 0.557 53 S N -1.298 114.466 115.700 0.106 0.000 2.911 53 S HA 0.132 4.680 4.470 0.128 0.000 0.319 53 S C -1.667 172.949 174.600 0.027 0.000 1.154 53 S CA -1.226 57.037 58.200 0.105 0.000 0.857 53 S CB 2.123 65.426 63.200 0.172 0.000 1.279 53 S HN -0.519 7.768 8.310 0.081 0.072 0.593 54 N N 0.348 119.030 118.700 -0.030 0.000 2.476 54 N HA 0.337 5.060 4.740 -0.030 0.000 0.287 54 N C -1.312 174.161 175.510 -0.061 0.000 1.262 54 N CA -1.962 51.057 53.050 -0.052 0.000 0.980 54 N CB -0.117 38.318 38.487 -0.086 0.000 1.163 54 N HN 0.009 8.348 8.380 -0.068 0.000 0.592 55 P HA -0.053 4.340 4.420 -0.045 0.000 0.215 55 P C 0.423 177.676 177.300 -0.079 0.000 1.157 55 P CA 1.934 65.003 63.100 -0.052 0.000 0.856 55 P CB 0.519 32.197 31.700 -0.036 0.000 0.786 56 E N -1.889 118.270 120.200 -0.068 0.000 2.028 56 E HA -0.224 4.119 4.350 -0.013 0.000 0.191 56 E C 2.289 178.749 176.600 -0.233 0.000 0.988 56 E CA 3.054 59.434 56.400 -0.034 0.000 0.799 56 E CB -0.774 28.973 29.700 0.077 0.000 0.755 56 E HN 0.279 8.606 8.360 -0.056 0.000 0.447 57 D N -3.146 117.128 120.400 -0.210 0.000 2.363 57 D HA -0.161 4.204 4.640 -0.458 0.000 0.220 57 D C 1.307 177.331 176.300 -0.460 0.000 0.994 57 D CA 1.833 55.572 54.000 -0.435 0.000 0.890 57 D CB -0.382 40.128 40.800 -0.483 0.000 0.906 57 D HN 0.032 8.314 8.370 -0.148 0.000 0.530 58 Q N -1.398 118.262 119.800 -0.233 0.000 2.083 58 Q HA -0.178 4.150 4.340 -0.020 0.000 0.198 58 Q C 1.758 177.691 176.000 -0.112 0.000 0.969 58 Q CA 2.632 58.375 55.803 -0.099 0.000 0.838 58 Q CB 0.037 28.740 28.738 -0.059 0.000 0.900 58 Q HN -0.660 7.328 8.270 -0.200 0.162 0.436 59 V N -1.395 118.392 119.914 -0.212 0.000 2.343 59 V HA -0.345 3.704 4.120 -0.118 0.000 0.247 59 V C 1.780 177.737 176.094 -0.228 0.000 1.051 59 V CA 3.460 65.628 62.300 -0.220 0.000 1.036 59 V CB -0.182 31.466 31.823 -0.291 0.000 0.654 59 V HN -0.649 7.395 8.190 -0.243 0.000 0.451 60 L N -3.479 117.523 121.223 -0.369 0.000 2.554 60 L HA -0.082 4.397 4.340 -0.122 -0.212 0.226 60 L C -1.267 175.656 176.870 0.089 0.000 1.137 60 L CA 1.165 55.892 54.840 -0.188 0.000 0.863 60 L CB 0.199 42.131 42.059 -0.212 0.000 0.985 60 L HN -0.866 7.024 8.230 -0.567 0.000 0.451 61 Y N -7.405 112.826 120.300 -0.115 0.000 2.706 61 Y HA 0.163 4.664 4.550 -0.081 0.000 0.255 61 Y C -0.878 174.991 175.900 -0.052 0.000 1.163 61 Y CA -2.437 55.618 58.100 -0.074 0.000 1.174 61 Y CB -0.362 38.069 38.460 -0.048 0.000 1.200 61 Y HN -0.926 7.153 8.280 -0.025 0.186 0.544 62 Q N -2.718 117.124 119.800 0.070 0.000 2.353 62 Q HA 0.141 4.510 4.340 0.049 0.000 0.226 62 Q C -0.698 175.311 176.000 0.014 0.000 0.741 62 Q CA 0.313 56.138 55.803 0.037 0.000 0.934 62 Q CB 3.475 32.229 28.738 0.026 0.000 1.292 62 Q HN -0.624 7.668 8.270 0.037 0.000 0.481 63 T N 1.725 116.277 114.554 -0.003 0.000 2.870 63 T HA -0.144 4.213 4.350 0.011 0.000 0.300 63 T C -0.718 173.985 174.700 0.005 0.000 0.989 63 T CA 0.451 62.553 62.100 0.003 0.000 1.139 63 T CB 0.662 69.534 68.868 0.007 0.000 0.920 63 T HN -0.725 7.506 8.240 -0.016 0.000 0.537 64 E N 3.779 123.994 120.200 0.025 0.000 2.266 64 E HA 0.769 5.456 4.350 0.031 -0.318 0.268 64 E C -0.283 176.353 176.600 0.061 0.000 0.879 64 E CA -2.713 53.708 56.400 0.035 0.000 0.762 64 E CB 3.736 33.450 29.700 0.024 0.000 1.199 64 E HN -0.010 8.368 8.360 0.030 0.000 0.422 65 R N 1.681 122.233 120.500 0.087 0.000 1.921 65 R HA 0.133 4.711 4.340 0.134 -0.158 0.190 65 R C -0.532 175.821 176.300 0.089 0.000 1.595 65 R CA 0.118 56.296 56.100 0.131 0.000 1.236 65 R CB 1.266 31.673 30.300 0.178 0.000 1.010 65 R HN -0.242 8.083 8.270 0.092 0.000 0.482 66 Y N -3.015 117.348 120.300 0.105 0.000 2.670 66 Y HA 0.116 4.720 4.550 0.090 0.000 0.334 66 Y C -2.091 173.830 175.900 0.035 0.000 1.185 66 Y CA -0.696 57.444 58.100 0.067 0.000 1.053 66 Y CB 3.829 42.309 38.460 0.032 0.000 1.298 66 Y HN -0.232 8.178 8.280 0.216 0.000 0.459 67 N N -0.403 118.493 118.700 0.327 0.000 2.321 67 N HA 0.272 5.185 4.740 0.087 -0.121 0.290 67 N C -1.747 173.799 175.510 0.059 0.000 1.212 67 N CA -1.106 52.068 53.050 0.206 0.000 0.767 67 N CB 2.457 41.147 38.487 0.338 0.000 1.494 67 N HN 0.099 8.815 8.380 0.560 0.000 0.479 68 E N 0.815 121.000 120.200 -0.025 0.000 4.003 68 E HA 0.071 4.428 4.350 0.011 0.000 0.198 68 E C -1.971 174.795 176.600 0.277 0.000 1.192 68 E CA -0.445 55.954 56.400 -0.001 0.000 0.769 68 E CB 1.688 31.244 29.700 -0.240 0.000 2.961 68 E HN 0.293 8.688 8.360 0.059 0.000 0.546 69 D N -1.546 119.078 120.400 0.373 0.000 2.861 69 D HA 0.244 5.077 4.640 0.321 0.000 0.216 69 D C -1.765 174.751 176.300 0.360 0.000 1.323 69 D CA -0.023 54.173 54.000 0.326 0.000 0.917 69 D CB 1.881 42.759 40.800 0.130 0.000 1.582 69 D HN -0.169 8.355 8.370 0.257 0.000 0.576 70 S N 2.166 117.991 115.700 0.208 0.000 3.454 70 S HA -0.393 4.194 4.470 -0.080 -0.165 0.508 70 S C -1.309 173.374 174.600 0.138 0.000 0.738 70 S CA 1.487 59.720 58.200 0.056 0.000 1.383 70 S CB -0.673 62.552 63.200 0.042 0.000 0.945 70 S HN 0.217 8.596 8.310 0.114 0.000 0.768 71 F N 0.247 120.133 119.950 -0.107 0.000 2.686 71 F HA 0.409 4.822 4.527 -0.189 0.000 0.311 71 F C -2.404 173.066 175.800 -0.550 0.000 1.128 71 F CA -1.883 55.991 58.000 -0.209 0.000 0.946 71 F CB 1.602 40.546 39.000 -0.093 0.000 1.336 71 F HN -0.490 7.474 8.300 -0.560 0.000 0.457 72 G N -2.381 106.230 108.800 -0.316 0.000 2.428 72 G HA2 0.196 3.680 3.960 -0.792 0.000 0.304 72 G HA3 0.196 3.995 3.960 -0.628 -0.216 0.304 72 G C -2.670 172.036 174.900 -0.324 0.000 1.303 72 G CA 0.423 45.188 45.100 -0.559 0.000 0.825 72 G HN -0.396 7.827 8.290 -0.112 0.000 0.484 73 Y N -2.683 117.609 120.300 -0.013 0.000 2.596 73 Y HA 0.269 4.901 4.550 0.136 0.000 0.326 73 Y C -1.335 174.520 175.900 -0.074 0.000 1.167 73 Y CA -0.825 57.323 58.100 0.080 0.000 1.246 73 Y CB 2.302 40.938 38.460 0.294 0.000 1.347 73 Y HN -0.461 7.872 8.280 0.089 0.000 0.515 74 D N -0.171 120.287 120.400 0.096 0.000 2.593 74 D HA 0.507 5.209 4.640 -0.126 -0.138 0.251 74 D C -1.553 174.530 176.300 -0.362 0.000 1.140 74 D CA -0.207 53.734 54.000 -0.099 0.000 0.855 74 D CB 2.271 43.064 40.800 -0.012 0.000 1.267 74 D HN 0.190 8.736 8.370 0.292 0.000 0.532 75 I N 2.928 123.204 120.570 -0.490 0.000 2.390 75 I HA 0.348 3.977 4.170 -0.902 0.000 0.283 75 I C -2.205 173.766 176.117 -0.244 0.000 1.016 75 I CA -3.734 57.175 61.300 -0.652 0.000 1.151 75 I CB 2.103 39.638 38.000 -0.775 0.000 1.293 75 I HN 0.411 8.417 8.210 -0.339 0.000 0.458 76 P HA 0.349 4.902 4.420 0.007 -0.129 0.287 76 P C -1.288 176.034 177.300 0.037 0.000 1.307 76 P CA -0.742 62.351 63.100 -0.012 0.000 0.777 76 P CB 0.125 31.828 31.700 0.005 0.000 0.883 77 I N 5.092 125.742 120.570 0.132 0.000 2.846 77 I HA 0.341 4.526 4.170 0.026 0.000 0.307 77 I C -1.288 174.942 176.117 0.189 0.000 1.053 77 I CA -1.455 59.881 61.300 0.060 0.000 1.050 77 I CB 3.109 40.941 38.000 -0.279 0.000 1.239 77 I HN -0.458 7.917 8.210 0.275 0.000 0.439 78 K N -0.292 120.156 120.400 0.079 0.000 2.684 78 K HA 0.132 4.579 4.320 0.213 0.000 0.189 78 K C -1.294 175.339 176.600 0.055 0.000 1.154 78 K CA 0.130 56.485 56.287 0.114 0.000 1.109 78 K CB 1.203 33.759 32.500 0.094 0.000 0.826 78 K HN 0.371 8.634 8.250 0.022 0.000 0.501 79 E N -0.117 120.084 120.200 0.002 0.000 2.369 79 E HA 0.231 4.611 4.350 0.050 0.000 0.270 79 E C -1.449 175.181 176.600 0.051 0.000 0.909 79 E CA -1.093 55.341 56.400 0.056 0.000 0.775 79 E CB 3.134 32.914 29.700 0.133 0.000 1.270 79 E HN -0.415 7.896 8.360 -0.082 0.000 0.445 80 E N 0.698 120.950 120.200 0.087 0.000 2.227 80 E HA 0.641 5.048 4.350 0.095 0.000 0.268 80 E C -0.817 175.848 176.600 0.109 0.000 0.907 80 E CA -0.990 55.466 56.400 0.093 0.000 0.786 80 E CB 1.614 31.330 29.700 0.026 0.000 1.191 80 E HN 0.355 8.756 8.360 0.069 0.000 0.411 81 G N 1.657 110.526 108.800 0.114 0.000 2.534 81 G HA2 -0.048 3.902 3.960 -0.018 0.000 0.142 81 G HA3 -0.048 3.853 3.960 -0.100 0.000 0.142 81 G C -2.018 172.871 174.900 -0.018 0.000 1.178 81 G CA 0.348 45.440 45.100 -0.013 0.000 1.037 81 G HN -0.179 8.202 8.290 0.151 0.000 0.474 82 E N 2.476 122.582 120.200 -0.156 0.000 2.149 82 E HA 0.764 5.294 4.350 -0.012 -0.188 0.255 82 E C -1.228 175.242 176.600 -0.216 0.000 0.888 82 E CA -2.137 54.197 56.400 -0.110 0.000 0.742 82 E CB 0.536 30.176 29.700 -0.100 0.000 1.164 82 E HN -0.044 8.171 8.360 -0.242 0.000 0.422 83 Y N 4.113 124.353 120.300 -0.100 0.000 2.326 83 Y HA 0.074 4.678 4.550 -0.103 -0.116 0.337 83 Y C -0.728 175.107 175.900 -0.109 0.000 1.023 83 Y CA -0.440 57.595 58.100 -0.108 0.000 1.143 83 Y CB 1.620 40.007 38.460 -0.123 0.000 1.183 83 Y HN 0.274 8.682 8.280 0.213 0.000 0.485 84 V N 2.346 122.244 119.914 -0.028 0.000 2.384 84 V HA 0.202 4.293 4.120 -0.048 0.000 0.287 84 V C -1.819 174.201 176.094 -0.124 0.000 1.020 84 V CA -1.490 60.759 62.300 -0.085 0.000 0.850 84 V CB 0.947 32.688 31.823 -0.136 0.000 0.987 84 V HN 0.519 8.667 8.190 -0.071 0.000 0.436 85 L N 9.109 130.287 121.223 -0.074 0.000 2.277 85 L HA 0.449 4.874 4.340 -0.094 -0.142 0.284 85 L C -1.750 175.083 176.870 -0.062 0.000 1.028 85 L CA -1.089 53.715 54.840 -0.059 0.000 0.835 85 L CB 1.496 43.559 42.059 0.006 0.000 1.215 85 L HN -0.251 7.952 8.230 -0.046 0.000 0.425 86 V N 7.159 127.013 119.914 -0.101 0.000 2.384 86 V HA 0.859 5.215 4.120 -0.043 -0.262 0.287 86 V C -1.336 174.768 176.094 0.016 0.000 1.020 86 V CA -1.848 60.427 62.300 -0.041 0.000 0.850 86 V CB 1.189 33.009 31.823 -0.006 0.000 0.987 86 V HN 0.224 8.300 8.190 -0.191 0.000 0.436 87 L N 1.434 122.616 121.223 -0.068 0.000 2.408 87 L HA 0.740 5.206 4.340 -0.097 -0.184 0.268 87 L C -1.803 174.875 176.870 -0.320 0.000 0.986 87 L CA -2.113 52.621 54.840 -0.177 0.000 0.820 87 L CB 3.893 45.809 42.059 -0.238 0.000 1.303 87 L HN -0.142 8.039 8.230 -0.080 0.000 0.411 88 K N 2.750 122.919 120.400 -0.385 0.000 2.234 88 K HA 0.595 4.926 4.320 -0.331 -0.209 0.277 88 K C -1.017 175.363 176.600 -0.367 0.000 1.038 88 K CA -1.351 54.693 56.287 -0.405 0.000 0.888 88 K CB 1.399 33.519 32.500 -0.634 0.000 1.091 88 K HN -0.298 7.655 8.250 -0.323 0.103 0.467 89 F N 6.587 126.476 119.950 -0.102 0.000 2.436 89 F HA 0.535 5.235 4.527 -0.072 -0.216 0.340 89 F C -1.073 174.740 175.800 0.021 0.000 1.113 89 F CA -1.508 56.472 58.000 -0.032 0.000 1.022 89 F CB 3.070 42.092 39.000 0.037 0.000 1.128 89 F HN 0.156 8.464 8.300 0.014 0.000 0.466 90 A N 2.730 125.676 122.820 0.211 0.000 2.515 90 A HA 0.557 4.961 4.320 0.141 0.000 0.296 90 A C -2.794 174.856 177.584 0.110 0.000 1.094 90 A CA -1.581 50.535 52.037 0.131 0.000 0.718 90 A CB 3.643 22.689 19.000 0.078 0.000 1.307 90 A HN -0.048 8.237 8.150 0.226 0.000 0.408 91 E N -0.561 119.700 120.200 0.101 0.000 2.355 91 E HA 0.321 4.717 4.350 0.077 0.000 0.261 91 E C -1.299 175.337 176.600 0.060 0.000 0.943 91 E CA -1.204 55.257 56.400 0.101 0.000 0.806 91 E CB 2.703 32.505 29.700 0.169 0.000 1.286 91 E HN 0.303 8.726 8.360 0.104 0.000 0.424 92 V N -5.458 114.460 119.914 0.006 0.000 3.444 92 V HA 0.205 4.300 4.120 -0.042 0.000 0.210 92 V C -0.370 175.661 176.094 -0.106 0.000 1.217 92 V CA 0.026 62.230 62.300 -0.161 0.000 1.302 92 V CB 1.024 32.545 31.823 -0.503 0.000 1.341 92 V HN 0.005 8.247 8.190 0.088 0.000 0.522 93 Y N -1.904 118.437 120.300 0.069 0.000 2.511 93 Y HA 0.328 4.848 4.550 -0.049 0.000 0.356 93 Y C -1.476 174.170 175.900 -0.423 0.000 1.002 93 Y CA -1.497 56.516 58.100 -0.144 0.000 1.127 93 Y CB -0.631 37.696 38.460 -0.222 0.000 1.137 93 Y HN -0.400 7.448 8.280 -0.721 0.000 0.652 94 F N 2.268 122.248 119.950 0.050 0.000 2.828 94 F HA 0.096 4.606 4.527 -0.028 0.000 0.355 94 F C -0.839 174.825 175.800 -0.227 0.000 1.200 94 F CA 0.062 58.039 58.000 -0.037 0.000 1.062 94 F CB 2.468 41.468 39.000 0.001 0.000 1.351 94 F HN -0.583 7.832 8.300 0.192 0.000 0.504 95 A N 4.656 127.319 122.820 -0.263 0.000 2.322 95 A HA 0.263 3.609 4.320 -1.622 0.000 0.327 95 A C -1.084 176.062 177.584 -0.731 0.000 1.394 95 A CA -0.462 51.068 52.037 -0.846 0.000 0.921 95 A CB 0.087 18.774 19.000 -0.522 0.000 1.153 95 A HN 0.210 8.256 8.150 -0.173 0.000 0.523 96 Q N 2.935 122.215 119.800 -0.866 0.000 2.468 96 Q HA 0.089 4.260 4.340 -0.282 0.000 0.263 96 Q C -2.040 173.906 176.000 -0.091 0.000 0.979 96 Q CA 0.161 55.758 55.803 -0.344 0.000 0.932 96 Q CB 4.152 32.772 28.738 -0.197 0.000 1.462 96 Q HN 0.144 7.647 8.270 -1.277 0.000 0.403 97 S N 3.218 118.943 115.700 0.041 0.000 2.659 97 S HA 0.202 4.753 4.470 0.134 0.000 0.312 97 S C -0.712 173.896 174.600 0.014 0.000 1.114 97 S CA -0.318 57.951 58.200 0.114 0.000 1.063 97 S CB 0.715 64.035 63.200 0.201 0.000 0.996 97 S HN 0.400 8.708 8.310 -0.003 0.000 0.478 98 Q N 1.167 120.954 119.800 -0.023 0.000 2.464 98 Q HA -0.373 4.054 4.340 -0.064 -0.125 0.286 98 Q C -1.120 174.831 176.000 -0.082 0.000 1.343 98 Q CA 1.438 57.210 55.803 -0.051 0.000 0.772 98 Q CB -2.624 26.096 28.738 -0.029 0.000 1.160 98 Q HN 0.578 8.836 8.270 -0.019 0.000 0.422 99 Q N -2.571 117.153 119.800 -0.126 0.000 2.399 99 Q HA 0.040 4.293 4.340 -0.146 0.000 0.205 99 Q C -0.730 175.129 176.000 -0.235 0.000 0.733 99 Q CA 0.327 56.028 55.803 -0.171 0.000 0.916 99 Q CB 1.680 30.305 28.738 -0.188 0.000 1.299 99 Q HN 0.044 8.233 8.270 -0.134 0.000 0.455 100 K N 2.514 122.756 120.400 -0.264 0.000 2.319 100 K HA 0.226 4.294 4.320 -0.421 0.000 0.237 100 K C -1.963 174.251 176.600 -0.644 0.000 1.113 100 K CA -0.772 55.261 56.287 -0.424 0.000 1.072 100 K CB -0.927 31.386 32.500 -0.311 0.000 1.734 100 K HN -0.012 8.113 8.250 -0.207 0.000 0.429 101 V N -1.469 118.084 119.914 -0.602 0.000 2.435 101 V HA 0.210 4.196 4.120 -0.450 -0.135 0.290 101 V C -1.244 174.509 176.094 -0.569 0.000 1.030 101 V CA -1.655 60.354 62.300 -0.484 0.000 0.881 101 V CB 0.995 32.695 31.823 -0.206 0.000 0.983 101 V HN -0.561 7.356 8.190 -0.455 0.000 0.445 102 F N 4.735 124.638 119.950 -0.078 0.000 2.613 102 F HA 0.369 4.865 4.527 -0.051 0.000 0.342 102 F C -0.306 175.462 175.800 -0.053 0.000 1.066 102 F CA -1.875 56.076 58.000 -0.082 0.000 1.002 102 F CB 3.552 42.453 39.000 -0.166 0.000 1.319 102 F HN -0.293 7.866 8.300 -0.168 0.040 0.495 103 D N -0.705 119.819 120.400 0.207 0.000 2.498 103 D HA 0.457 5.292 4.640 0.107 -0.131 0.247 103 D C -1.129 175.267 176.300 0.160 0.000 1.070 103 D CA -0.566 53.514 54.000 0.133 0.000 0.842 103 D CB 3.568 44.427 40.800 0.099 0.000 1.361 103 D HN -0.080 8.448 8.370 0.263 0.000 0.484 104 V N 1.618 121.624 119.914 0.154 0.000 2.577 104 V HA 0.197 4.498 4.120 0.301 0.000 0.303 104 V C -2.050 174.143 176.094 0.164 0.000 1.042 104 V CA -1.123 61.309 62.300 0.220 0.000 0.872 104 V CB 3.179 35.149 31.823 0.244 0.000 0.998 104 V HN -0.018 8.245 8.190 0.122 0.000 0.423 105 R N 5.995 126.588 120.500 0.155 0.000 2.807 105 R HA 0.847 5.360 4.340 0.114 -0.104 0.276 105 R C -1.795 174.568 176.300 0.105 0.000 0.979 105 R CA -1.975 54.190 56.100 0.108 0.000 0.928 105 R CB 4.006 34.340 30.300 0.057 0.000 1.191 105 R HN -0.041 8.339 8.270 0.184 0.000 0.471 106 V N -2.055 117.927 119.914 0.114 0.000 2.447 106 V HA 0.905 5.343 4.120 0.076 -0.273 0.292 106 V C -0.171 176.012 176.094 0.149 0.000 1.021 106 V CA -3.209 59.153 62.300 0.102 0.000 0.850 106 V CB 1.188 33.058 31.823 0.078 0.000 1.005 106 V HN 0.362 8.635 8.190 0.138 0.000 0.426 107 N N 7.064 125.819 118.700 0.091 0.000 2.776 107 N HA -0.402 4.421 4.740 0.029 -0.066 0.250 107 N C -0.376 175.137 175.510 0.006 0.000 1.112 107 N CA 1.688 54.789 53.050 0.085 0.000 0.733 107 N CB -0.531 38.067 38.487 0.185 0.000 1.097 107 N HN 1.195 9.528 8.380 0.047 0.075 0.558 108 G N -5.377 103.405 108.800 -0.031 0.000 2.232 108 G HA2 -0.386 3.522 3.960 -0.087 0.000 0.226 108 G HA3 -0.386 3.461 3.960 -0.189 0.000 0.226 108 G C -0.608 174.203 174.900 -0.149 0.000 0.996 108 G CA -0.056 44.971 45.100 -0.122 0.000 0.626 108 G HN 0.167 8.424 8.290 0.007 0.038 0.509 109 H N 2.154 121.227 119.070 0.004 0.000 2.582 109 H HA 0.284 4.846 4.556 0.009 0.000 0.345 109 H C -0.766 174.574 175.328 0.020 0.000 1.104 109 H CA 0.050 56.106 56.048 0.012 0.000 1.390 109 H CB 1.291 31.062 29.762 0.016 0.000 1.461 109 H HN -0.566 7.617 8.280 0.124 0.172 0.551 110 T N 1.621 116.261 114.554 0.144 0.000 2.767 110 T HA 0.128 4.535 4.350 0.095 0.000 0.288 110 T C 0.154 174.909 174.700 0.093 0.000 0.963 110 T CA -0.524 61.634 62.100 0.097 0.000 1.019 110 T CB 0.717 69.624 68.868 0.066 0.000 0.923 110 T HN 0.122 8.450 8.240 0.147 0.000 0.468 111 V N 3.827 123.793 119.914 0.086 0.000 2.950 111 V HA 0.321 4.476 4.120 0.058 0.000 0.231 111 V C -0.961 175.173 176.094 0.066 0.000 1.205 111 V CA 0.206 62.548 62.300 0.069 0.000 1.239 111 V CB 1.279 33.142 31.823 0.066 0.000 1.050 111 V HN 0.177 8.424 8.190 0.095 0.000 0.498 112 V N 0.605 120.568 119.914 0.081 0.000 2.250 112 V HA 0.248 4.404 4.120 0.061 0.000 0.268 112 V C -1.516 174.621 176.094 0.072 0.000 1.043 112 V CA -1.318 61.027 62.300 0.074 0.000 0.814 112 V CB -1.061 30.814 31.823 0.087 0.000 1.072 112 V HN -0.649 7.599 8.190 0.097 0.000 0.451 113 K N 5.352 125.785 120.400 0.056 0.000 2.457 113 K HA 0.270 4.736 4.320 0.062 -0.108 0.226 113 K C -0.890 175.727 176.600 0.028 0.000 1.114 113 K CA -1.212 55.105 56.287 0.049 0.000 1.089 113 K CB -1.009 31.519 32.500 0.046 0.000 1.739 113 K HN 0.337 8.617 8.250 0.050 0.000 0.473 114 D N -3.788 116.626 120.400 0.022 0.000 3.607 114 D HA -0.107 4.514 4.640 -0.032 0.000 0.141 114 D C -2.473 173.821 176.300 -0.010 0.000 1.013 114 D CA 0.102 54.096 54.000 -0.009 0.000 1.860 114 D CB -1.524 39.270 40.800 -0.011 0.000 0.711 114 D HN 0.052 8.444 8.370 0.037 0.000 0.879 115 L N 1.683 122.903 121.223 -0.005 0.000 2.272 115 L HA 0.292 4.638 4.340 0.011 0.000 0.284 115 L C -1.611 175.245 176.870 -0.024 0.000 1.045 115 L CA -0.825 54.014 54.840 -0.002 0.000 0.842 115 L CB 0.979 43.015 42.059 -0.037 0.000 1.224 115 L HN -0.259 7.931 8.230 0.011 0.047 0.430 116 D N 5.062 125.430 120.400 -0.053 0.000 2.441 116 D HA 0.318 5.027 4.640 -0.066 -0.109 0.231 116 D C 0.226 176.481 176.300 -0.074 0.000 1.073 116 D CA -1.782 52.179 54.000 -0.064 0.000 0.850 116 D CB 0.602 41.360 40.800 -0.069 0.000 1.062 116 D HN -0.292 8.053 8.370 -0.041 0.000 0.524 117 I N 1.328 121.876 120.570 -0.037 0.000 2.546 117 I HA -0.274 3.703 4.170 -0.323 0.000 0.255 117 I C 0.659 176.751 176.117 -0.042 0.000 1.163 117 I CA 2.461 63.703 61.300 -0.097 0.000 1.457 117 I CB -0.122 37.895 38.000 0.029 0.000 1.092 117 I HN 0.259 8.484 8.210 0.026 0.000 0.434 118 F N 0.859 120.762 119.950 -0.079 0.000 2.187 118 F HA -0.240 4.489 4.527 -0.029 -0.219 0.295 118 F C 0.750 176.510 175.800 -0.066 0.000 1.091 118 F CA 3.165 61.140 58.000 -0.043 0.000 1.308 118 F CB 0.519 39.520 39.000 0.002 0.000 1.030 118 F HN -0.198 8.223 8.300 0.201 0.000 0.487 119 D N -3.263 117.159 120.400 0.037 0.000 2.224 119 D HA -0.204 4.406 4.640 -0.050 0.000 0.205 119 D C 1.550 177.778 176.300 -0.120 0.000 0.965 119 D CA 1.972 55.948 54.000 -0.040 0.000 0.852 119 D CB -0.026 40.777 40.800 0.005 0.000 0.947 119 D HN -0.095 8.340 8.370 0.108 0.000 0.494 120 R N -1.513 118.875 120.500 -0.187 0.000 2.052 120 R HA -0.098 4.157 4.340 -0.141 0.000 0.226 120 R C 1.946 178.109 176.300 -0.229 0.000 1.145 120 R CA 1.802 57.757 56.100 -0.243 0.000 0.952 120 R CB 0.290 30.279 30.300 -0.519 0.000 0.847 120 R HN -0.425 7.729 8.270 -0.193 0.000 0.431 121 V N -6.961 112.785 119.914 -0.281 0.000 2.949 121 V HA 0.109 4.142 4.120 -0.146 0.000 0.245 121 V C 0.359 176.287 176.094 -0.277 0.000 1.086 121 V CA -0.271 61.908 62.300 -0.203 0.000 1.097 121 V CB 0.837 32.585 31.823 -0.125 0.000 0.762 121 V HN -0.631 7.351 8.190 -0.347 0.000 0.470 122 G N -0.431 108.140 108.800 -0.383 0.000 2.433 122 G HA2 -0.171 3.489 3.960 -0.591 0.000 0.211 122 G HA3 -0.171 3.469 3.960 -0.534 0.000 0.211 122 G C -2.354 172.115 174.900 -0.718 0.000 1.214 122 G CA -0.351 44.412 45.100 -0.562 0.000 1.271 122 G HN -0.578 7.495 8.290 -0.362 0.000 0.503 123 H N 3.216 122.075 119.070 -0.353 0.000 2.638 123 H HA 0.239 4.714 4.556 -0.134 0.000 0.303 123 H C -0.993 174.326 175.328 -0.014 0.000 1.034 123 H CA -1.744 54.213 56.048 -0.151 0.000 1.225 123 H CB -0.044 29.692 29.762 -0.044 0.000 1.394 123 H HN 0.111 7.775 8.280 -1.027 0.000 0.477 124 S N 5.184 120.955 115.700 0.118 0.000 4.074 124 S HA -0.332 4.214 4.470 0.126 0.000 0.626 124 S C -0.427 174.191 174.600 0.030 0.000 1.989 124 S CA 1.090 59.349 58.200 0.098 0.000 4.158 124 S CB -0.331 62.941 63.200 0.120 0.000 0.211 124 S HN 0.644 9.063 8.310 0.182 0.000 0.599 125 T N -2.666 111.905 114.554 0.029 0.000 0.541 125 T HA -0.274 4.096 4.350 0.033 0.000 0.774 125 T C -2.015 172.712 174.700 0.044 0.000 0.992 125 T CA 1.202 63.313 62.100 0.019 0.000 4.077 125 T CB 0.048 68.898 68.868 -0.030 0.000 2.303 125 T HN -0.080 8.189 8.240 0.049 0.000 0.398 126 A N 1.122 123.969 122.820 0.046 0.000 2.288 126 A HA 0.131 4.481 4.320 0.050 0.000 0.320 126 A C -1.456 176.178 177.584 0.083 0.000 1.217 126 A CA -0.727 51.337 52.037 0.045 0.000 0.840 126 A CB 1.705 20.717 19.000 0.019 0.000 1.179 126 A HN -0.049 8.123 8.150 0.037 0.000 0.504 127 H N 3.513 122.572 119.070 -0.017 0.000 2.457 127 H HA 0.228 4.784 4.556 -0.000 0.000 0.335 127 H C -1.593 173.731 175.328 -0.007 0.000 1.115 127 H CA -1.022 55.034 56.048 0.013 0.000 1.219 127 H CB 2.610 32.418 29.762 0.076 0.000 1.471 127 H HN -0.098 8.269 8.280 0.146 0.000 0.491 128 D N 4.245 124.447 120.400 -0.331 0.000 2.649 128 D HA 0.266 4.886 4.640 -0.273 -0.144 0.249 128 D C -1.491 174.620 176.300 -0.316 0.000 1.112 128 D CA -1.340 52.489 54.000 -0.285 0.000 0.850 128 D CB 2.911 43.624 40.800 -0.146 0.000 1.399 128 D HN 0.114 8.328 8.370 -0.260 0.000 0.503 129 E N 2.426 122.506 120.200 -0.202 0.000 2.155 129 E HA 0.431 4.717 4.350 -0.107 0.000 0.264 129 E C -1.548 175.020 176.600 -0.054 0.000 0.886 129 E CA -1.009 55.331 56.400 -0.101 0.000 0.752 129 E CB 2.735 32.430 29.700 -0.007 0.000 1.133 129 E HN -0.120 8.130 8.360 -0.184 0.000 0.414 130 I N 3.285 123.833 120.570 -0.038 0.000 2.354 130 I HA 0.195 4.342 4.170 -0.037 0.000 0.286 130 I C -0.157 175.950 176.117 -0.017 0.000 1.007 130 I CA -0.738 60.544 61.300 -0.030 0.000 1.167 130 I CB 0.470 38.453 38.000 -0.028 0.000 1.320 130 I HN 0.433 8.621 8.210 -0.036 0.000 0.458 131 I N 6.440 127.000 120.570 -0.017 0.000 2.537 131 I HA 0.428 4.593 4.170 -0.007 0.000 0.276 131 I C -2.338 173.768 176.117 -0.019 0.000 1.063 131 I CA -2.967 58.328 61.300 -0.009 0.000 1.144 131 I CB 0.965 38.972 38.000 0.011 0.000 1.252 131 I HN 0.122 8.317 8.210 -0.025 0.000 0.480 132 P HA 0.159 4.561 4.420 -0.029 0.000 0.276 132 P C -1.206 176.082 177.300 -0.020 0.000 1.230 132 P CA -0.497 62.588 63.100 -0.026 0.000 0.776 132 P CB 0.309 31.991 31.700 -0.030 0.000 0.888 133 I N 1.875 122.442 120.570 -0.005 0.000 2.646 133 I HA 0.469 4.744 4.170 -0.027 -0.121 0.299 133 I C -0.819 175.306 176.117 0.014 0.000 1.036 133 I CA -1.598 59.699 61.300 -0.005 0.000 1.074 133 I CB 3.722 41.718 38.000 -0.007 0.000 1.258 133 I HN 0.461 8.675 8.210 0.006 0.000 0.430 134 S N 3.027 118.723 115.700 -0.007 0.000 2.756 134 S HA 0.671 5.352 4.470 0.026 -0.196 0.303 134 S C -0.494 174.099 174.600 -0.013 0.000 1.135 134 S CA -1.072 57.128 58.200 0.000 0.000 1.066 134 S CB 1.836 65.029 63.200 -0.011 0.000 1.008 134 S HN 0.031 8.324 8.310 -0.028 0.000 0.482 135 I N 5.814 126.380 120.570 -0.007 0.000 2.362 135 I HA 0.696 5.087 4.170 -0.040 -0.245 0.289 135 I C -1.101 175.008 176.117 -0.012 0.000 0.994 135 I CA -0.814 60.458 61.300 -0.048 0.000 1.158 135 I CB 1.908 39.790 38.000 -0.196 0.000 1.315 135 I HN -0.088 8.147 8.210 0.041 0.000 0.451 136 K N 6.028 126.426 120.400 -0.003 0.000 2.513 136 K HA 0.336 4.661 4.320 0.008 0.000 0.251 136 K C -0.244 176.366 176.600 0.016 0.000 0.939 136 K CA -0.296 55.995 56.287 0.007 0.000 0.793 136 K CB 2.740 35.243 32.500 0.005 0.000 1.241 136 K HN 0.116 8.365 8.250 -0.000 0.000 0.431 137 K N 0.389 120.800 120.400 0.019 0.000 3.341 137 K HA -0.309 4.025 4.320 0.024 0.000 0.305 137 K C -0.554 176.070 176.600 0.040 0.000 1.270 137 K CA 1.118 57.421 56.287 0.026 0.000 0.897 137 K CB -1.505 31.008 32.500 0.021 0.000 1.264 137 K HN 0.602 8.961 8.250 0.017 -0.099 0.468 138 G N -6.251 102.580 108.800 0.052 0.000 2.134 138 G HA2 -0.310 3.725 3.960 0.125 0.000 0.209 138 G HA3 -0.310 3.702 3.960 0.086 0.000 0.209 138 G C -1.382 173.591 174.900 0.122 0.000 0.993 138 G CA -0.276 44.881 45.100 0.096 0.000 0.669 138 G HN 0.144 8.472 8.290 0.038 -0.015 0.519 139 K N -1.282 119.169 120.400 0.084 0.000 2.395 139 K HA 0.324 4.811 4.320 0.137 -0.085 0.247 139 K C -2.418 174.221 176.600 0.065 0.000 0.973 139 K CA -1.537 54.805 56.287 0.092 0.000 0.828 139 K CB 3.491 36.026 32.500 0.059 0.000 1.272 139 K HN -0.706 7.575 8.250 0.052 0.000 0.439 140 L N 0.503 121.776 121.223 0.084 0.000 2.334 140 L HA 0.283 4.618 4.340 -0.009 0.000 0.275 140 L C -1.723 175.143 176.870 -0.006 0.000 1.036 140 L CA -0.965 53.897 54.840 0.036 0.000 0.807 140 L CB 3.537 45.654 42.059 0.096 0.000 1.231 140 L HN 0.256 8.553 8.230 0.113 0.000 0.438 141 S N 3.211 118.884 115.700 -0.044 0.000 2.756 141 S HA 0.360 4.918 4.470 -0.073 -0.132 0.303 141 S C -2.181 172.360 174.600 -0.100 0.000 1.135 141 S CA -0.333 57.828 58.200 -0.065 0.000 1.066 141 S CB 1.799 64.977 63.200 -0.037 0.000 1.008 141 S HN -0.046 8.237 8.310 -0.046 0.000 0.482 142 V N 7.548 127.361 119.914 -0.169 0.000 2.257 142 V HA 0.338 4.390 4.120 -0.113 0.000 0.269 142 V C -0.541 175.486 176.094 -0.110 0.000 1.040 142 V CA -2.013 60.185 62.300 -0.170 0.000 0.813 142 V CB 0.271 31.911 31.823 -0.305 0.000 1.065 142 V HN 0.011 8.078 8.190 -0.206 0.000 0.457 143 Q N 7.191 126.953 119.800 -0.064 0.000 1.914 143 Q HA -0.367 3.954 4.340 -0.031 0.000 0.217 143 Q C 0.112 176.092 176.000 -0.033 0.000 2.819 143 Q CA 2.495 58.275 55.803 -0.039 0.000 0.438 143 Q CB -1.403 27.318 28.738 -0.028 0.000 0.787 143 Q HN 0.648 8.883 8.270 -0.059 0.000 0.466 144 G N -0.926 107.856 108.800 -0.031 0.000 4.100 144 G HA2 0.217 4.167 3.960 -0.017 0.000 0.294 144 G HA3 0.217 4.171 3.960 -0.010 0.000 0.294 144 G C -1.373 173.517 174.900 -0.017 0.000 1.040 144 G CA -0.291 44.798 45.100 -0.019 0.000 0.829 144 G HN 0.018 8.287 8.290 -0.034 0.000 0.505 145 E N 1.121 121.296 120.200 -0.041 0.000 2.265 145 E HA 0.315 4.667 4.350 0.003 0.000 0.262 145 E C -1.954 174.615 176.600 -0.053 0.000 0.889 145 E CA -0.523 55.859 56.400 -0.029 0.000 0.789 145 E CB 2.856 32.545 29.700 -0.019 0.000 1.221 145 E HN -0.601 7.720 8.360 -0.066 0.000 0.414 146 V N 6.003 125.918 119.914 0.000 0.000 2.435 146 V HA 0.576 4.815 4.120 -0.017 -0.130 0.290 146 V C -0.908 175.223 176.094 0.062 0.000 1.030 146 V CA -1.355 60.952 62.300 0.011 0.000 0.881 146 V CB 1.186 33.015 31.823 0.009 0.000 0.983 146 V HN 0.361 8.561 8.190 0.017 0.000 0.445 147 S N 7.891 123.640 115.700 0.081 0.000 2.752 147 S HA 0.396 4.919 4.470 0.088 0.000 0.284 147 S C -2.266 172.395 174.600 0.102 0.000 1.189 147 S CA -0.699 57.572 58.200 0.119 0.000 0.835 147 S CB 2.844 66.183 63.200 0.232 0.000 1.192 147 S HN 0.483 8.825 8.310 0.054 0.000 0.506 148 T N 1.835 116.444 114.554 0.091 0.000 2.829 148 T HA 0.125 4.536 4.350 0.103 0.000 0.282 148 T C -1.569 173.198 174.700 0.110 0.000 0.990 148 T CA -1.042 61.110 62.100 0.087 0.000 1.028 148 T CB 0.808 69.704 68.868 0.046 0.000 0.951 148 T HN 0.020 8.305 8.240 0.076 0.000 0.460 149 F N 9.002 128.949 119.950 -0.005 0.000 2.445 149 F HA 0.099 4.615 4.527 -0.019 0.000 0.359 149 F C -0.514 175.267 175.800 -0.031 0.000 1.101 149 F CA -0.107 57.878 58.000 -0.025 0.000 1.177 149 F CB 0.973 39.944 39.000 -0.048 0.000 1.110 149 F HN -0.325 8.119 8.300 0.240 0.000 0.522 150 T N 6.481 120.606 114.554 -0.714 0.000 3.064 150 T HA 0.357 4.427 4.350 -0.466 0.000 0.367 150 T C 0.015 174.273 174.700 -0.737 0.000 1.202 150 T CA -1.093 60.660 62.100 -0.579 0.000 1.133 150 T CB 0.335 69.039 68.868 -0.275 0.000 1.074 150 T HN 0.123 7.972 8.240 -0.652 0.000 0.519 151 G N 6.222 114.504 108.800 -0.864 0.000 4.148 151 G HA2 -0.546 3.246 3.960 -0.280 0.000 0.221 151 G HA3 -0.546 3.224 3.960 -0.318 0.000 0.221 151 G C -1.628 173.028 174.900 -0.407 0.000 1.373 151 G CA 1.083 45.889 45.100 -0.491 0.000 0.940 151 G HN 0.596 8.352 8.290 -0.890 0.000 0.610 152 K N 1.980 122.139 120.400 -0.400 0.000 2.444 152 K HA 0.541 4.995 4.320 0.040 -0.110 0.252 152 K C -2.447 174.130 176.600 -0.037 0.000 0.993 152 K CA -1.465 54.751 56.287 -0.119 0.000 0.847 152 K CB 3.661 36.096 32.500 -0.108 0.000 1.340 152 K HN -0.456 7.455 8.250 -0.468 0.059 0.446 153 L N 0.946 122.190 121.223 0.035 0.000 2.325 153 L HA 0.358 4.957 4.340 0.073 -0.215 0.278 153 L C -1.924 174.900 176.870 -0.077 0.000 1.023 153 L CA -0.981 53.870 54.840 0.019 0.000 0.811 153 L CB 3.142 45.194 42.059 -0.012 0.000 1.249 153 L HN 0.617 8.726 8.230 -0.015 0.111 0.431 154 S N 1.988 117.662 115.700 -0.043 0.000 2.513 154 S HA 0.498 5.079 4.470 -0.082 -0.160 0.299 154 S C -1.113 173.473 174.600 -0.023 0.000 1.087 154 S CA -1.681 56.486 58.200 -0.056 0.000 1.012 154 S CB 1.998 65.162 63.200 -0.059 0.000 1.044 154 S HN 0.237 8.626 8.310 -0.004 -0.082 0.485 155 V N 4.535 124.442 119.914 -0.012 0.000 2.275 155 V HA 0.644 5.070 4.120 0.060 -0.270 0.272 155 V C -1.503 174.472 176.094 -0.199 0.000 1.028 155 V CA -1.749 60.574 62.300 0.038 0.000 0.810 155 V CB 0.501 32.473 31.823 0.248 0.000 1.043 155 V HN -0.036 8.147 8.190 -0.011 0.000 0.453 156 E N 7.280 127.360 120.200 -0.200 0.000 2.129 156 E HA 0.350 4.306 4.350 -0.656 0.000 0.268 156 E C -1.247 175.196 176.600 -0.261 0.000 0.900 156 E CA -1.652 54.526 56.400 -0.370 0.000 0.755 156 E CB 2.799 32.385 29.700 -0.189 0.000 1.117 156 E HN -0.381 7.941 8.360 -0.062 0.000 0.410 157 F N 3.449 123.348 119.950 -0.086 0.000 2.458 157 F HA 0.637 5.283 4.527 -0.046 -0.147 0.336 157 F C -1.369 174.311 175.800 -0.199 0.000 1.114 157 F CA -2.508 55.420 58.000 -0.121 0.000 0.987 157 F CB 1.495 40.417 39.000 -0.131 0.000 1.130 157 F HN 0.014 7.508 8.300 -1.343 0.000 0.458 158 V N 1.447 121.404 119.914 0.072 0.000 2.612 158 V HA 0.201 4.313 4.120 -0.014 0.000 0.301 158 V C -0.841 175.320 176.094 0.112 0.000 1.046 158 V CA -2.031 60.293 62.300 0.041 0.000 0.946 158 V CB 1.756 33.605 31.823 0.043 0.000 1.003 158 V HN 0.005 8.270 8.190 0.125 0.000 0.459 159 K N 4.152 124.615 120.400 0.106 0.000 2.440 159 K HA -0.278 4.263 4.320 0.237 -0.079 0.270 159 K C -0.387 176.370 176.600 0.262 0.000 0.980 159 K CA 1.140 57.547 56.287 0.200 0.000 0.953 159 K CB -0.213 32.365 32.500 0.129 0.000 0.925 159 K HN 0.141 8.428 8.250 0.062 0.000 0.497 160 G N 0.507 109.529 108.800 0.369 0.000 2.808 160 G HA2 0.016 4.036 3.960 0.021 0.000 0.210 160 G HA3 0.016 3.847 3.960 -0.314 -0.060 0.210 160 G C -0.982 174.001 174.900 0.138 0.000 1.177 160 G CA 0.639 45.776 45.100 0.062 0.000 0.853 160 G HN 0.158 8.800 8.290 0.586 0.000 0.625 161 Y N -2.225 118.110 120.300 0.059 0.000 3.260 161 Y HA 0.158 4.745 4.550 0.062 0.000 0.202 161 Y C -0.462 175.548 175.900 0.185 0.000 0.962 161 Y CA 0.720 58.874 58.100 0.089 0.000 1.582 161 Y CB 1.522 40.017 38.460 0.058 0.000 1.478 161 Y HN -0.324 8.149 8.280 0.322 0.000 0.384 162 Y N -1.336 119.127 120.300 0.272 0.000 2.673 162 Y HA 0.142 4.772 4.550 0.134 0.000 0.278 162 Y C -0.924 175.092 175.900 0.194 0.000 1.127 162 Y CA 0.437 58.664 58.100 0.212 0.000 1.261 162 Y CB 1.703 40.342 38.460 0.299 0.000 1.412 162 Y HN -0.422 8.167 8.280 0.514 0.000 0.496 163 D N -3.051 117.563 120.400 0.357 0.000 2.487 163 D HA 0.211 4.975 4.640 0.207 0.000 0.262 163 D C -0.653 175.722 176.300 0.126 0.000 1.130 163 D CA -1.097 53.023 54.000 0.199 0.000 1.038 163 D CB 2.403 43.223 40.800 0.034 0.000 1.142 163 D HN -0.460 8.145 8.370 0.391 0.000 0.575 164 N N -1.638 116.989 118.700 -0.122 0.000 2.994 164 N HA 0.161 4.720 4.740 -0.302 0.000 0.216 164 N C -1.204 173.716 175.510 -0.983 0.000 1.166 164 N CA 1.310 54.124 53.050 -0.393 0.000 1.155 164 N CB -0.285 38.066 38.487 -0.226 0.000 1.489 164 N HN 0.088 8.447 8.380 -0.035 0.000 0.556 165 P HA 0.099 4.030 4.420 -0.815 0.000 0.220 165 P C -0.490 176.597 177.300 -0.356 0.000 1.154 165 P CA 0.977 63.702 63.100 -0.625 0.000 0.837 165 P CB 1.041 32.347 31.700 -0.657 0.000 0.815 166 K N -4.888 115.393 120.400 -0.198 0.000 9.931 166 K HA -0.431 3.868 4.320 -0.035 0.000 0.456 166 K C -1.363 175.237 176.600 0.000 0.000 0.649 166 K CA 1.908 58.146 56.287 -0.082 0.000 1.643 166 K CB -1.032 31.387 32.500 -0.135 0.000 0.770 166 K HN -0.613 7.552 8.250 -0.143 0.000 1.122 167 V N 1.596 121.531 119.914 0.034 0.000 2.435 167 V HA 0.131 4.259 4.120 0.014 0.000 0.290 167 V C -1.209 174.885 176.094 -0.001 0.000 1.030 167 V CA -1.232 61.086 62.300 0.028 0.000 0.881 167 V CB 0.764 32.605 31.823 0.031 0.000 0.983 167 V HN -0.407 7.814 8.190 0.052 0.000 0.445 168 C N 6.926 126.171 119.300 -0.092 0.000 2.431 168 C HA 0.370 4.638 4.460 -0.499 -0.107 0.321 168 C C -2.001 172.862 174.990 -0.212 0.000 1.202 168 C CA -1.365 57.499 59.018 -0.257 0.000 1.398 168 C CB 3.138 30.771 27.740 -0.179 0.000 2.047 168 C HN 0.457 8.656 8.230 -0.052 0.000 0.465 169 A N 7.691 130.346 122.820 -0.275 0.000 2.985 169 A HA 0.316 4.546 4.320 -0.150 0.000 0.303 169 A C -0.926 176.596 177.584 -0.103 0.000 1.048 169 A CA -1.707 50.238 52.037 -0.155 0.000 1.016 169 A CB 0.507 19.478 19.000 -0.047 0.000 1.118 169 A HN 0.434 8.325 8.150 -0.433 0.000 0.529 170 L N 0.594 121.746 121.223 -0.118 0.000 2.678 170 L HA -0.206 4.149 4.340 0.024 0.000 0.285 170 L C -1.731 175.218 176.870 0.132 0.000 1.233 170 L CA 1.140 55.977 54.840 -0.005 0.000 0.920 170 L CB -0.744 41.278 42.059 -0.061 0.000 1.176 170 L HN -0.206 7.929 8.230 -0.159 0.000 0.495 171 F N 8.123 128.090 119.950 0.029 0.000 2.941 171 F HA 0.247 4.804 4.527 0.049 0.000 0.359 171 F C -3.167 172.707 175.800 0.122 0.000 1.231 171 F CA -1.538 56.501 58.000 0.066 0.000 1.089 171 F CB 2.211 41.248 39.000 0.061 0.000 1.407 171 F HN -0.156 8.269 8.300 0.209 0.000 0.538 172 I N 9.793 130.462 120.570 0.165 0.000 2.339 172 I HA 0.729 4.962 4.170 -0.194 -0.180 0.290 172 I C -2.569 173.538 176.117 -0.016 0.000 0.994 172 I CA -2.093 59.217 61.300 0.015 0.000 1.191 172 I CB 2.787 40.884 38.000 0.163 0.000 1.343 172 I HN 0.505 8.942 8.210 0.378 0.000 0.458 173 M N 7.386 126.851 119.600 -0.225 0.000 2.761 173 M HA 0.581 5.077 4.480 0.027 0.000 0.305 173 M C -2.453 173.776 176.300 -0.118 0.000 1.235 173 M CA -2.385 52.841 55.300 -0.124 0.000 0.850 173 M CB 3.466 35.938 32.600 -0.213 0.000 1.744 173 M HN 0.239 8.319 8.290 -0.349 0.000 0.480 174 K N -0.437 119.872 120.400 -0.153 0.000 2.340 174 K HA 0.352 4.358 4.320 -0.523 0.000 0.244 174 K C 0.080 176.486 176.600 -0.322 0.000 0.973 174 K CA -1.083 54.966 56.287 -0.397 0.000 0.828 174 K CB 2.670 34.843 32.500 -0.545 0.000 1.226 174 K HN -0.336 7.864 8.250 -0.082 0.000 0.437 175 G N 0.106 108.644 108.800 -0.436 0.000 2.399 175 G HA2 -0.299 3.479 3.960 -0.302 0.000 0.216 175 G HA3 -0.299 3.539 3.960 -0.203 0.000 0.216 175 G C -1.820 172.965 174.900 -0.191 0.000 1.096 175 G CA 0.595 45.528 45.100 -0.278 0.000 0.650 175 G HN 0.316 8.194 8.290 -0.686 0.000 0.512 176 T N -3.295 111.165 114.554 -0.157 0.000 2.927 176 T HA 0.087 4.375 4.350 -0.103 0.000 0.350 176 T C -0.628 174.017 174.700 -0.091 0.000 1.746 176 T CA -0.721 61.316 62.100 -0.106 0.000 1.081 176 T CB 1.925 70.746 68.868 -0.077 0.000 1.551 176 T HN -1.090 7.050 8.240 -0.168 0.000 0.489 177 A N 1.299 124.077 122.820 -0.071 0.000 2.167 177 A HA -0.023 4.255 4.320 -0.071 0.000 0.214 177 A C 0.693 178.250 177.584 -0.045 0.000 1.151 177 A CA 1.529 53.530 52.037 -0.059 0.000 0.735 177 A CB -0.382 18.589 19.000 -0.048 0.000 0.802 177 A HN 0.611 8.722 8.150 -0.065 0.000 0.467 178 D N -2.752 117.623 120.400 -0.042 0.000 2.340 178 D HA -0.049 4.575 4.640 -0.026 0.000 0.220 178 D C -0.200 176.081 176.300 -0.031 0.000 1.039 178 D CA 1.006 54.987 54.000 -0.032 0.000 0.866 178 D CB -0.021 40.762 40.800 -0.028 0.000 0.913 178 D HN 0.047 8.343 8.370 -0.047 0.046 0.523 179 D N -2.538 117.839 120.400 -0.038 0.000 2.407 179 D HA 0.156 4.780 4.640 -0.027 0.000 0.208 179 D C -0.914 175.369 176.300 -0.028 0.000 1.083 179 D CA 0.428 54.409 54.000 -0.033 0.000 0.844 179 D CB 1.813 42.590 40.800 -0.039 0.000 0.967 179 D HN -0.504 7.762 8.370 -0.047 0.076 0.506 180 V N 0.144 120.042 119.914 -0.028 0.000 2.352 180 V HA 0.236 4.359 4.120 0.006 0.000 0.253 180 V C -1.854 174.224 176.094 -0.027 0.000 1.083 180 V CA -3.600 58.695 62.300 -0.009 0.000 0.993 180 V CB -0.851 30.975 31.823 0.006 0.000 1.111 180 V HN -0.703 7.466 8.190 -0.035 0.000 0.490 181 P HA 0.271 4.671 4.420 -0.033 0.000 0.296 181 P C -1.779 175.441 177.300 -0.132 0.000 1.301 181 P CA -0.713 62.336 63.100 -0.086 0.000 0.862 181 P CB 1.043 32.697 31.700 -0.077 0.000 1.046 182 M N -0.294 119.306 119.600 -0.001 0.000 2.149 182 M HA 0.348 4.908 4.480 0.133 0.000 0.273 182 M C -1.738 174.629 176.300 0.112 0.000 0.972 182 M CA 0.059 55.411 55.300 0.087 0.000 0.984 182 M CB 0.348 33.013 32.600 0.108 0.000 1.699 182 M HN -0.058 8.242 8.290 0.015 0.000 0.462 183 L N 3.920 125.235 121.223 0.154 0.000 2.359 183 L HA 0.446 4.842 4.340 0.094 0.000 0.256 183 L C -0.877 176.056 176.870 0.105 0.000 1.026 183 L CA -0.800 54.108 54.840 0.114 0.000 0.828 183 L CB 2.986 45.104 42.059 0.097 0.000 1.406 183 L HN 0.068 8.436 8.230 0.231 0.000 0.413 184 Q N -0.050 119.803 119.800 0.087 0.000 2.226 184 Q HA 0.356 4.729 4.340 0.056 0.000 0.256 184 Q C -1.883 174.161 176.000 0.073 0.000 0.962 184 Q CA -2.641 53.204 55.803 0.071 0.000 0.887 184 Q CB 0.069 28.849 28.738 0.070 0.000 1.282 184 Q HN -0.108 8.215 8.270 0.088 0.000 0.449 185 P HA -0.042 4.408 4.420 0.049 0.000 0.271 185 P C -1.497 175.838 177.300 0.060 0.000 1.233 185 P CA 0.480 63.604 63.100 0.040 0.000 0.764 185 P CB 0.426 32.126 31.700 0.001 0.000 0.825 186 H N 4.823 123.895 119.070 0.004 0.000 2.771 186 H HA 0.197 4.756 4.556 0.004 0.000 0.361 186 H C -1.251 174.079 175.328 0.003 0.000 1.108 186 H CA -1.540 54.511 56.048 0.005 0.000 1.201 186 H CB 1.897 31.664 29.762 0.009 0.000 1.681 186 H HN 0.106 8.472 8.280 0.144 0.000 0.534 187 P HA 0.065 4.533 4.420 0.080 0.000 0.224 187 P C -0.371 177.033 177.300 0.174 0.000 1.157 187 P CA 0.171 63.348 63.100 0.128 0.000 0.799 187 P CB 1.027 32.752 31.700 0.041 0.000 0.809 188 G N -0.189 108.805 108.800 0.323 0.000 2.478 188 G HA2 0.275 4.283 3.960 0.079 0.000 0.317 188 G HA3 0.275 4.319 3.960 0.141 0.000 0.317 188 G C -1.697 173.179 174.900 -0.039 0.000 1.259 188 G CA -0.319 44.860 45.100 0.132 0.000 0.933 188 G HN -0.537 8.198 8.290 0.741 0.000 0.478 189 L N 2.835 124.033 121.223 -0.042 0.000 2.324 189 L HA 0.299 4.541 4.340 -0.163 0.000 0.274 189 L C -0.501 176.333 176.870 -0.060 0.000 1.012 189 L CA -0.241 54.548 54.840 -0.085 0.000 0.859 189 L CB 0.634 42.666 42.059 -0.045 0.000 1.224 189 L HN 0.299 8.526 8.230 -0.005 0.000 0.429 190 E N 0.000 120.154 120.200 -0.077 0.000 2.725 190 E HA 0.000 4.329 4.350 -0.035 0.000 0.291 190 E CA 0.000 56.372 56.400 -0.047 0.000 0.976 190 E CB 0.000 29.682 29.700 -0.030 0.000 0.812 190 E HN 0.000 8.288 8.360 -0.121 0.000 0.440