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 3mf9_1_A DATA FIRST_RESID 0 DATA SEQUENCE GSDTTITQNQ TGYDNGYFYS FRTDAPGTVS MTLHSGGSYS TSWRNTGLFV DATA SEQUENCE AGKGWSTGGR RTVTYNASFN PSGNARLTLY GWTRNPLVSY HIVESWGTYR DATA SEQUENCE PTGTYKGTVT TDGGTYDIYE TWRYNAPSIE GTRTYQQFWS VRQQKRTSGT DATA SEQUENCE ITIGNHFDAW ARAGMNLGSH DYQIMATEGY QSSGSSTVSI SEG 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 0 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 0 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 0 G C 0.000 174.900 174.900 0.000 0.000 0.946 0 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 1 S N -0.838 114.861 115.700 -0.001 0.000 2.365 1 S HA 0.019 4.492 4.470 0.006 0.000 0.126 1 S C 0.064 174.662 174.600 -0.004 0.000 0.626 1 S CA -0.165 58.035 58.200 -0.000 0.000 1.493 1 S CB -0.457 62.746 63.200 0.005 0.000 0.946 1 S HN 0.303 8.613 8.310 -0.000 0.000 0.277 2 D N 2.577 122.983 120.400 0.009 0.000 2.443 2 D HA 0.338 4.981 4.640 0.006 0.000 0.234 2 D C -0.050 176.218 176.300 -0.055 0.000 1.172 2 D CA 1.178 55.174 54.000 -0.006 0.000 0.878 2 D CB 0.568 41.402 40.800 0.056 0.000 1.204 2 D HN 0.167 8.537 8.370 -0.000 0.000 0.453 3 T N 1.097 115.584 114.554 -0.113 0.000 2.841 3 T HA 0.451 4.805 4.350 0.006 0.000 0.283 3 T C -0.212 174.373 174.700 -0.191 0.000 1.000 3 T CA -0.659 61.358 62.100 -0.139 0.000 0.977 3 T CB 1.495 70.264 68.868 -0.165 0.000 0.979 3 T HN 0.103 8.343 8.240 -0.000 0.000 0.446 4 T N 3.972 118.426 114.554 -0.166 0.000 2.794 4 T HA 0.683 5.036 4.350 0.006 0.000 0.280 4 T C 0.111 174.670 174.700 -0.234 0.000 0.987 4 T CA -0.614 61.366 62.100 -0.200 0.000 0.993 4 T CB 0.266 69.050 68.868 -0.140 0.000 0.939 4 T HN 0.600 8.840 8.240 -0.000 0.000 0.449 5 I N 0.159 120.521 120.570 -0.347 0.000 2.846 5 I HA 0.769 4.942 4.170 0.006 0.000 0.307 5 I C 0.623 176.417 176.117 -0.537 0.000 1.053 5 I CA -1.006 60.057 61.300 -0.395 0.000 1.050 5 I CB 2.496 40.234 38.000 -0.436 0.000 1.239 5 I HN 0.653 8.863 8.210 -0.000 0.000 0.439 6 T N -0.777 113.560 114.554 -0.361 0.000 3.130 6 T HA 0.188 4.542 4.350 0.006 0.000 0.288 6 T C 0.188 174.950 174.700 0.102 0.000 0.936 6 T CA -0.183 61.799 62.100 -0.197 0.000 0.897 6 T CB -0.124 68.709 68.868 -0.058 0.000 1.178 6 T HN 0.839 9.079 8.240 -0.000 0.000 0.543 7 Q N 1.302 121.149 119.800 0.079 0.000 2.306 7 Q HA 0.596 4.939 4.340 0.006 0.000 0.265 7 Q C -1.185 175.018 176.000 0.338 0.000 1.022 7 Q CA -1.060 54.868 55.803 0.208 0.000 0.853 7 Q CB 0.928 29.720 28.738 0.090 0.000 1.327 7 Q HN -0.108 8.162 8.270 -0.000 0.000 0.449 8 N N 2.963 121.831 118.700 0.281 0.000 2.357 8 N HA -0.019 4.725 4.740 0.006 0.000 0.257 8 N C -0.822 174.773 175.510 0.142 0.000 1.250 8 N CA 0.669 53.842 53.050 0.204 0.000 0.862 8 N CB 0.362 38.883 38.487 0.056 0.000 1.066 8 N HN 0.756 9.136 8.380 -0.000 0.000 0.468 9 Q N -1.359 118.511 119.800 0.117 0.000 2.829 9 Q HA 0.506 4.850 4.340 0.006 0.000 0.296 9 Q C -1.516 174.375 176.000 -0.182 0.000 0.893 9 Q CA -1.059 54.740 55.803 -0.005 0.000 0.772 9 Q CB 0.862 29.624 28.738 0.040 0.000 1.489 9 Q HN 0.520 8.790 8.270 -0.000 0.000 0.420 10 T N -2.269 112.067 114.554 -0.364 0.000 2.887 10 T HA 0.970 5.324 4.350 0.006 0.000 0.292 10 T C 0.163 174.288 174.700 -0.959 0.000 1.087 10 T CA -0.076 61.521 62.100 -0.838 0.000 1.009 10 T CB 1.943 70.487 68.868 -0.541 0.000 1.203 10 T HN 1.363 9.603 8.240 -0.000 0.000 0.518 11 G N -0.315 107.566 108.800 -1.531 0.000 2.335 11 G HA2 0.472 4.436 3.960 0.006 0.000 0.291 11 G HA3 0.472 4.436 3.960 0.006 0.000 0.291 11 G C -2.464 171.835 174.900 -1.003 0.000 1.261 11 G CA -0.924 43.639 45.100 -0.895 0.000 0.871 11 G HN 0.746 9.036 8.290 -0.000 0.000 0.491 12 Y N 0.283 120.596 120.300 0.021 0.000 2.361 12 Y HA 0.622 5.173 4.550 0.002 0.000 0.337 12 Y C -0.695 175.353 175.900 0.245 0.000 0.965 12 Y CA -0.633 57.565 58.100 0.163 0.000 1.091 12 Y CB 2.642 41.177 38.460 0.124 0.000 1.182 12 Y HN 0.623 8.903 8.280 -0.000 0.000 0.450 13 D N 1.657 122.267 120.400 0.351 0.000 2.696 13 D HA 0.326 4.969 4.640 0.006 0.000 0.251 13 D C -0.693 175.709 176.300 0.171 0.000 1.188 13 D CA -0.395 53.700 54.000 0.157 0.000 0.876 13 D CB 0.600 41.326 40.800 -0.123 0.000 1.334 13 D HN 0.657 9.027 8.370 -0.000 0.000 0.540 14 N N 3.024 121.807 118.700 0.140 0.000 2.721 14 N HA -0.231 4.513 4.740 0.006 0.000 0.249 14 N C 0.845 176.500 175.510 0.242 0.000 1.072 14 N CA 0.842 53.985 53.050 0.156 0.000 0.710 14 N CB -0.705 37.859 38.487 0.129 0.000 0.993 14 N HN 0.830 9.210 8.380 -0.000 0.000 0.547 15 G N -2.621 106.306 108.800 0.211 0.000 2.176 15 G HA2 -0.347 3.616 3.960 0.006 0.000 0.253 15 G HA3 -0.347 3.616 3.960 0.006 0.000 0.253 15 G C -0.335 174.594 174.900 0.049 0.000 0.979 15 G CA 0.433 45.614 45.100 0.133 0.000 0.641 15 G HN 0.454 8.744 8.290 -0.000 0.000 0.530 16 Y N -0.746 119.639 120.300 0.142 0.000 2.446 16 Y HA 0.649 5.203 4.550 0.006 0.000 0.345 16 Y C 0.354 176.353 175.900 0.165 0.000 0.984 16 Y CA -1.562 56.588 58.100 0.082 0.000 1.058 16 Y CB 1.199 39.625 38.460 -0.055 0.000 1.220 16 Y HN 0.184 8.464 8.280 -0.000 0.000 0.455 17 F N 4.770 124.762 119.950 0.070 0.000 2.506 17 F HA 0.336 4.865 4.527 0.003 0.000 0.351 17 F C -0.745 174.984 175.800 -0.118 0.000 1.136 17 F CA -0.495 57.361 58.000 -0.240 0.000 1.298 17 F CB 0.144 39.003 39.000 -0.235 0.000 1.145 17 F HN 0.412 8.712 8.300 -0.000 0.000 0.593 18 Y N 1.875 121.375 120.300 -1.333 0.000 2.562 18 Y HA 0.648 5.201 4.550 0.005 0.000 0.345 18 Y C -1.329 173.775 175.900 -1.327 0.000 1.045 18 Y CA -1.292 56.203 58.100 -1.008 0.000 1.028 18 Y CB 1.236 39.368 38.460 -0.545 0.000 1.297 18 Y HN 0.612 8.892 8.280 -0.000 0.000 0.463 19 S N 2.745 118.003 115.700 -0.737 0.000 2.541 19 S HA 0.761 5.235 4.470 0.006 0.000 0.280 19 S C -2.222 172.313 174.600 -0.108 0.000 1.112 19 S CA -0.524 57.332 58.200 -0.573 0.000 0.925 19 S CB 1.075 63.901 63.200 -0.622 0.000 1.067 19 S HN 0.775 9.085 8.310 -0.000 0.000 0.479 20 F N 4.158 124.004 119.950 -0.173 0.000 2.585 20 F HA 0.724 5.253 4.527 0.004 0.000 0.319 20 F C -0.688 175.094 175.800 -0.030 0.000 1.165 20 F CA -0.458 57.504 58.000 -0.064 0.000 0.949 20 F CB 1.407 40.393 39.000 -0.023 0.000 1.218 20 F HN 0.713 9.013 8.300 -0.000 0.000 0.453 21 R N 4.008 124.152 120.500 -0.593 0.000 2.548 21 R HA 0.610 4.954 4.340 0.006 0.000 0.280 21 R C -1.764 174.270 176.300 -0.444 0.000 1.061 21 R CA -0.431 55.423 56.100 -0.410 0.000 0.915 21 R CB 2.134 32.357 30.300 -0.129 0.000 1.210 21 R HN 0.799 9.069 8.270 -0.000 0.000 0.442 22 T N 0.443 114.801 114.554 -0.327 0.000 2.883 22 T HA 0.185 4.538 4.350 0.006 0.000 0.301 22 T C -0.627 174.052 174.700 -0.035 0.000 1.158 22 T CA -0.633 61.380 62.100 -0.144 0.000 1.007 22 T CB 1.314 70.083 68.868 -0.165 0.000 1.186 22 T HN 0.711 8.951 8.240 -0.000 0.000 0.499 23 D N 1.326 121.742 120.400 0.027 0.000 2.363 23 D HA 0.329 4.972 4.640 0.006 0.000 0.214 23 D C 0.455 176.788 176.300 0.056 0.000 1.093 23 D CA -0.201 53.826 54.000 0.045 0.000 0.837 23 D CB 0.185 41.025 40.800 0.066 0.000 0.948 23 D HN 0.509 8.879 8.370 -0.000 0.000 0.507 24 A N 1.473 124.328 122.820 0.059 0.000 3.248 24 A HA 0.428 4.752 4.320 0.006 0.000 0.315 24 A C -2.635 174.991 177.584 0.069 0.000 0.974 24 A CA -1.176 50.901 52.037 0.067 0.000 0.939 24 A CB 0.366 19.416 19.000 0.084 0.000 1.061 24 A HN -0.001 8.149 8.150 -0.000 0.000 0.481 25 P HA 0.242 4.662 4.420 -0.000 0.000 0.266 25 P C 1.030 178.375 177.300 0.076 0.000 1.195 25 P CA 1.881 65.032 63.100 0.085 0.000 0.768 25 P CB 0.945 32.690 31.700 0.075 0.000 0.838 26 G N 2.202 111.053 108.800 0.084 0.000 2.175 26 G HA2 -0.256 3.708 3.960 0.006 0.000 0.244 26 G HA3 -0.256 3.708 3.960 0.006 0.000 0.244 26 G C 0.628 175.565 174.900 0.062 0.000 0.982 26 G CA 0.500 45.636 45.100 0.061 0.000 0.641 26 G HN 0.755 9.045 8.290 -0.000 0.000 0.527 27 T N -2.762 111.840 114.554 0.080 0.000 3.044 27 T HA 0.602 4.956 4.350 0.006 0.000 0.260 27 T C 0.365 175.127 174.700 0.102 0.000 1.019 27 T CA 0.631 62.784 62.100 0.088 0.000 0.921 27 T CB 1.267 70.196 68.868 0.102 0.000 1.053 27 T HN 1.632 9.872 8.240 -0.000 0.000 0.533 28 V N 1.413 121.381 119.914 0.091 0.000 3.000 28 V HA 0.750 4.874 4.120 0.006 0.000 0.300 28 V C -1.600 174.577 176.094 0.138 0.000 1.251 28 V CA -0.049 62.281 62.300 0.050 0.000 0.972 28 V CB 2.195 33.872 31.823 -0.244 0.000 1.065 28 V HN 0.696 8.886 8.190 -0.000 0.000 0.431 29 S N 6.361 122.097 115.700 0.061 0.000 2.661 29 S HA 0.863 5.337 4.470 0.006 0.000 0.285 29 S C -0.889 173.646 174.600 -0.108 0.000 1.138 29 S CA -0.791 57.353 58.200 -0.092 0.000 0.855 29 S CB 2.134 65.272 63.200 -0.103 0.000 1.136 29 S HN 1.363 9.673 8.310 -0.000 0.000 0.484 30 M N 1.693 121.082 119.600 -0.351 0.000 2.326 30 M HA 0.499 4.983 4.480 0.006 0.000 0.292 30 M C -1.749 174.390 176.300 -0.267 0.000 1.081 30 M CA -0.095 55.071 55.300 -0.223 0.000 0.919 30 M CB 2.170 34.587 32.600 -0.305 0.000 1.634 30 M HN 0.824 9.114 8.290 -0.000 0.000 0.451 31 T N 5.651 120.090 114.554 -0.192 0.000 2.779 31 T HA 0.550 4.904 4.350 0.006 0.000 0.280 31 T C -0.607 173.809 174.700 -0.474 0.000 0.987 31 T CA -0.525 61.398 62.100 -0.296 0.000 0.966 31 T CB 0.928 69.665 68.868 -0.219 0.000 0.933 31 T HN 0.582 8.822 8.240 -0.000 0.000 0.442 32 L N 5.242 126.205 121.223 -0.432 0.000 2.257 32 L HA 0.457 4.801 4.340 0.006 0.000 0.290 32 L C 0.481 177.165 176.870 -0.309 0.000 1.044 32 L CA -0.938 53.666 54.840 -0.394 0.000 0.810 32 L CB 0.422 42.226 42.059 -0.425 0.000 1.193 32 L HN 0.587 8.817 8.230 -0.000 0.000 0.425 33 H N 0.992 120.039 119.070 -0.038 0.000 2.530 33 H HA 0.382 4.943 4.556 0.007 0.000 0.342 33 H C 0.076 175.386 175.328 -0.029 0.000 1.312 33 H CA -0.980 55.047 56.048 -0.034 0.000 1.376 33 H CB 1.059 30.802 29.762 -0.033 0.000 1.692 33 H HN 0.457 8.737 8.280 -0.000 0.000 0.622 34 S N -0.379 115.404 115.700 0.138 0.000 2.566 34 S HA 0.230 4.704 4.470 0.006 0.000 0.280 34 S C 1.235 175.868 174.600 0.055 0.000 1.343 34 S CA 0.396 58.643 58.200 0.078 0.000 1.036 34 S CB 0.185 63.419 63.200 0.057 0.000 0.866 34 S HN 0.950 9.260 8.310 -0.000 0.000 0.526 35 G N 2.110 110.961 108.800 0.085 0.000 2.611 35 G HA2 -0.245 3.719 3.960 0.006 0.000 0.301 35 G HA3 -0.245 3.719 3.960 0.006 0.000 0.301 35 G C 0.648 175.386 174.900 -0.270 0.000 1.233 35 G CA 0.037 45.185 45.100 0.080 0.000 0.993 35 G HN 1.463 9.753 8.290 -0.000 0.000 0.553 36 G N 0.057 108.412 108.800 -0.743 0.000 3.496 36 G HA2 0.485 4.449 3.960 0.006 0.000 0.273 36 G HA3 0.485 4.449 3.960 0.006 0.000 0.273 36 G C 0.304 174.986 174.900 -0.364 0.000 1.279 36 G CA 1.531 45.898 45.100 -1.221 0.000 1.041 36 G HN 1.147 9.437 8.290 -0.000 0.000 0.539 37 S N -0.139 115.484 115.700 -0.129 0.000 2.537 37 S HA 0.829 5.303 4.470 0.006 0.000 0.301 37 S C -0.831 173.861 174.600 0.153 0.000 1.092 37 S CA -0.764 57.453 58.200 0.027 0.000 1.048 37 S CB 0.985 64.224 63.200 0.066 0.000 1.053 37 S HN 0.528 8.838 8.310 -0.000 0.000 0.501 38 Y N -0.314 120.028 120.300 0.069 0.000 2.689 38 Y HA 0.793 5.347 4.550 0.008 0.000 0.333 38 Y C -0.812 175.111 175.900 0.039 0.000 1.208 38 Y CA -1.042 56.981 58.100 -0.130 0.000 1.055 38 Y CB 0.658 39.026 38.460 -0.153 0.000 1.304 38 Y HN 0.441 8.721 8.280 -0.000 0.000 0.455 39 S N 0.376 116.068 115.700 -0.013 0.000 2.599 39 S HA 0.829 5.303 4.470 0.006 0.000 0.294 39 S C -0.894 173.871 174.600 0.274 0.000 1.094 39 S CA -0.425 57.856 58.200 0.135 0.000 0.931 39 S CB 1.934 65.270 63.200 0.226 0.000 1.093 39 S HN 0.957 9.267 8.310 -0.000 0.000 0.488 40 T N -1.414 113.337 114.554 0.328 0.000 2.906 40 T HA 0.819 5.173 4.350 0.006 0.000 0.295 40 T C -0.760 174.139 174.700 0.332 0.000 1.075 40 T CA -0.808 61.505 62.100 0.354 0.000 1.005 40 T CB 1.741 70.903 68.868 0.491 0.000 1.136 40 T HN 0.437 8.677 8.240 -0.000 0.000 0.498 41 S N 0.940 116.801 115.700 0.268 0.000 2.548 41 S HA 0.764 5.238 4.470 0.006 0.000 0.276 41 S C -1.991 172.758 174.600 0.247 0.000 1.129 41 S CA -0.951 57.355 58.200 0.176 0.000 0.931 41 S CB 0.700 63.927 63.200 0.045 0.000 1.068 41 S HN 0.969 9.279 8.310 -0.000 0.000 0.480 42 W N 3.042 124.303 121.300 -0.065 0.000 3.127 42 W HA 0.846 5.510 4.660 0.006 0.000 0.330 42 W C -1.166 175.347 176.519 -0.011 0.000 1.187 42 W CA -1.000 56.294 57.345 -0.086 0.000 1.198 42 W CB 0.975 30.331 29.460 -0.174 0.000 1.408 42 W HN 0.693 8.873 8.180 -0.000 0.000 0.529 43 R N 2.673 123.264 120.500 0.153 0.000 2.510 43 R HA 0.334 4.678 4.340 0.006 0.000 0.294 43 R C -0.666 175.697 176.300 0.104 0.000 1.056 43 R CA -0.681 55.443 56.100 0.041 0.000 0.918 43 R CB 0.331 30.631 30.300 0.000 0.000 1.187 43 R HN 0.759 9.029 8.270 -0.000 0.000 0.437 44 N N 1.221 119.985 118.700 0.107 0.000 2.705 44 N HA -0.251 4.492 4.740 0.006 0.000 0.255 44 N C -0.666 174.919 175.510 0.125 0.000 1.008 44 N CA 1.315 54.424 53.050 0.099 0.000 0.742 44 N CB -0.470 38.048 38.487 0.051 0.000 0.906 44 N HN 0.645 9.025 8.380 -0.000 0.000 0.541 45 T N -1.797 112.884 114.554 0.213 0.000 2.810 45 T HA 0.616 4.970 4.350 0.006 0.000 0.277 45 T C 1.351 176.118 174.700 0.111 0.000 0.973 45 T CA -0.002 62.220 62.100 0.204 0.000 0.949 45 T CB 1.194 70.264 68.868 0.337 0.000 1.075 45 T HN 0.340 8.580 8.240 -0.000 0.000 0.537 46 G N 0.450 109.317 108.800 0.111 0.000 3.226 46 G HA2 0.437 4.400 3.960 0.006 0.000 0.190 46 G HA3 0.437 4.400 3.960 0.006 0.000 0.190 46 G C -0.637 174.355 174.900 0.154 0.000 1.988 46 G CA -0.181 44.963 45.100 0.073 0.000 0.859 46 G HN 0.624 8.914 8.290 -0.000 0.000 0.631 47 L N 0.617 121.967 121.223 0.212 0.000 2.334 47 L HA 0.778 5.122 4.340 0.006 0.000 0.276 47 L C -1.161 175.793 176.870 0.140 0.000 1.014 47 L CA -1.221 53.745 54.840 0.210 0.000 0.815 47 L CB 1.549 43.721 42.059 0.189 0.000 1.268 47 L HN 0.489 8.719 8.230 -0.000 0.000 0.428 48 F N 3.256 123.143 119.950 -0.105 0.000 2.645 48 F HA 0.880 5.410 4.527 0.005 0.000 0.310 48 F C -1.770 173.887 175.800 -0.239 0.000 1.102 48 F CA -1.093 56.772 58.000 -0.225 0.000 0.952 48 F CB 1.490 40.310 39.000 -0.300 0.000 1.326 48 F HN 0.190 8.490 8.300 -0.000 0.000 0.456 49 V N 1.810 121.618 119.914 -0.177 0.000 2.668 49 V HA 0.901 5.025 4.120 0.006 0.000 0.304 49 V C -0.776 175.280 176.094 -0.063 0.000 1.071 49 V CA -0.389 61.751 62.300 -0.267 0.000 0.894 49 V CB 1.267 32.861 31.823 -0.382 0.000 1.008 49 V HN 1.325 9.515 8.190 -0.000 0.000 0.425 50 A N 2.933 125.772 122.820 0.031 0.000 2.486 50 A HA 1.067 5.391 4.320 0.006 0.000 0.300 50 A C -0.202 177.267 177.584 -0.193 0.000 1.048 50 A CA -0.005 52.045 52.037 0.021 0.000 0.696 50 A CB 2.216 21.379 19.000 0.272 0.000 1.278 50 A HN 1.712 9.862 8.150 -0.000 0.000 0.405 51 G N 0.444 108.999 108.800 -0.410 0.000 2.451 51 G HA2 0.543 4.506 3.960 0.006 0.000 0.292 51 G HA3 0.543 4.506 3.960 0.006 0.000 0.292 51 G C -1.713 172.914 174.900 -0.455 0.000 1.427 51 G CA -0.730 43.994 45.100 -0.627 0.000 0.792 51 G HN 0.676 8.966 8.290 -0.000 0.000 0.498 52 K N -0.829 119.436 120.400 -0.226 0.000 2.281 52 K HA 0.812 5.136 4.320 0.006 0.000 0.242 52 K C 0.283 176.891 176.600 0.014 0.000 0.971 52 K CA -0.008 56.246 56.287 -0.055 0.000 0.834 52 K CB 2.292 34.788 32.500 -0.006 0.000 1.181 52 K HN 1.127 9.377 8.250 -0.000 0.000 0.435 53 G N 0.775 109.560 108.800 -0.024 0.000 2.600 53 G HA2 0.130 4.094 3.960 0.006 0.000 0.072 53 G HA3 0.130 4.094 3.960 0.006 0.000 0.072 53 G C -1.766 172.828 174.900 -0.510 0.000 1.051 53 G CA -0.654 44.194 45.100 -0.421 0.000 1.230 53 G HN 0.481 8.771 8.290 -0.000 0.000 0.547 54 W N 1.144 122.673 121.300 0.382 0.000 2.915 54 W HA 0.474 5.138 4.660 0.006 0.000 0.337 54 W C 1.051 177.505 176.519 -0.108 0.000 1.102 54 W CA 0.104 57.568 57.345 0.199 0.000 1.224 54 W CB 1.980 31.517 29.460 0.129 0.000 1.416 54 W HN 0.675 8.855 8.180 -0.000 0.000 0.503 55 S N -0.032 115.595 115.700 -0.122 0.000 2.489 55 S HA 0.000 4.474 4.470 0.006 0.000 0.228 55 S C 0.566 175.074 174.600 -0.155 0.000 0.995 55 S CA 0.678 58.499 58.200 -0.633 0.000 0.934 55 S CB -0.084 62.868 63.200 -0.414 0.000 0.771 55 S HN 0.329 8.639 8.310 -0.000 0.000 0.522 56 T N 2.098 116.691 114.554 0.065 0.000 2.864 56 T HA 0.641 4.994 4.350 0.006 0.000 0.299 56 T C 0.354 175.126 174.700 0.121 0.000 1.011 56 T CA -0.537 61.617 62.100 0.091 0.000 0.975 56 T CB 1.353 70.264 68.868 0.072 0.000 0.962 56 T HN 0.369 8.609 8.240 -0.000 0.000 0.448 57 G N 1.449 110.330 108.800 0.135 0.000 2.599 57 G HA2 0.684 4.648 3.960 0.006 0.000 0.264 57 G HA3 0.684 4.648 3.960 0.006 0.000 0.264 57 G C 0.193 174.928 174.900 -0.275 0.000 1.200 57 G CA 0.026 45.140 45.100 0.024 0.000 0.896 57 G HN 0.972 9.262 8.290 -0.000 0.000 0.536 58 G N -1.258 107.329 108.800 -0.355 0.000 2.578 58 G HA2 0.346 4.309 3.960 0.006 0.000 0.302 58 G HA3 0.346 4.309 3.960 0.006 0.000 0.302 58 G C 0.245 174.991 174.900 -0.256 0.000 1.243 58 G CA -0.718 44.172 45.100 -0.350 0.000 0.843 58 G HN 0.469 8.759 8.290 -0.000 0.000 0.486 59 R N 0.313 120.683 120.500 -0.216 0.000 2.313 59 R HA 0.109 4.453 4.340 0.006 0.000 0.199 59 R C 0.868 176.960 176.300 -0.347 0.000 0.958 59 R CA -0.157 55.741 56.100 -0.337 0.000 1.047 59 R CB -0.073 30.118 30.300 -0.183 0.000 0.955 59 R HN 0.537 8.807 8.270 -0.000 0.000 0.481 60 R N 1.072 121.376 120.500 -0.327 0.000 2.538 60 R HA -0.033 4.311 4.340 0.006 0.000 0.273 60 R C -0.603 175.537 176.300 -0.266 0.000 0.967 60 R CA 0.428 56.342 56.100 -0.309 0.000 1.101 60 R CB -0.230 29.798 30.300 -0.452 0.000 0.908 60 R HN -0.257 8.013 8.270 -0.000 0.000 0.411 61 T N 3.155 117.600 114.554 -0.181 0.000 2.851 61 T HA 0.347 4.701 4.350 0.006 0.000 0.298 61 T C 0.262 174.927 174.700 -0.058 0.000 0.977 61 T CA -0.441 61.593 62.100 -0.110 0.000 1.126 61 T CB 0.967 69.792 68.868 -0.071 0.000 0.916 61 T HN 0.539 8.779 8.240 -0.000 0.000 0.529 62 V N 1.051 120.974 119.914 0.015 0.000 3.040 62 V HA 0.911 5.034 4.120 0.006 0.000 0.312 62 V C -0.386 175.825 176.094 0.194 0.000 1.115 62 V CA -0.823 61.557 62.300 0.134 0.000 0.998 62 V CB 2.356 34.314 31.823 0.225 0.000 1.042 62 V HN 0.762 8.952 8.190 -0.000 0.000 0.433 63 T N 3.069 117.764 114.554 0.235 0.000 2.861 63 T HA 0.777 5.131 4.350 0.006 0.000 0.287 63 T C -1.181 173.670 174.700 0.252 0.000 1.003 63 T CA -0.253 61.962 62.100 0.191 0.000 0.977 63 T CB 1.321 70.246 68.868 0.094 0.000 0.996 63 T HN 1.112 9.352 8.240 -0.000 0.000 0.448 64 Y N 0.922 121.287 120.300 0.109 0.000 2.609 64 Y HA 0.874 5.427 4.550 0.006 0.000 0.342 64 Y C -0.974 174.963 175.900 0.063 0.000 1.058 64 Y CA -1.288 56.869 58.100 0.095 0.000 1.055 64 Y CB 1.616 40.144 38.460 0.112 0.000 1.292 64 Y HN 0.517 8.797 8.280 -0.000 0.000 0.476 65 N N 0.914 119.642 118.700 0.046 0.000 2.287 65 N HA 0.768 5.511 4.740 0.006 0.000 0.289 65 N C -2.021 173.569 175.510 0.133 0.000 1.066 65 N CA -0.234 52.796 53.050 -0.033 0.000 0.841 65 N CB 2.365 40.824 38.487 -0.046 0.000 1.599 65 N HN 1.169 9.549 8.380 -0.000 0.000 0.476 66 A N 1.277 124.189 122.820 0.152 0.000 2.515 66 A HA 0.723 5.047 4.320 0.006 0.000 0.298 66 A C -1.129 176.542 177.584 0.146 0.000 1.059 66 A CA -0.640 51.498 52.037 0.169 0.000 0.698 66 A CB 1.288 20.438 19.000 0.250 0.000 1.289 66 A HN 0.488 8.638 8.150 -0.000 0.000 0.404 67 S N 0.888 116.670 115.700 0.136 0.000 2.429 67 S HA 0.607 5.080 4.470 0.006 0.000 0.302 67 S C -1.190 173.569 174.600 0.266 0.000 1.115 67 S CA -0.106 58.184 58.200 0.151 0.000 1.095 67 S CB 0.254 63.504 63.200 0.084 0.000 0.987 67 S HN 0.670 8.980 8.310 -0.000 0.000 0.474 68 F N 3.907 123.907 119.950 0.085 0.000 2.500 68 F HA 0.485 5.016 4.527 0.006 0.000 0.349 68 F C -0.628 175.236 175.800 0.108 0.000 1.127 68 F CA -1.018 57.062 58.000 0.133 0.000 0.998 68 F CB 0.632 39.717 39.000 0.141 0.000 1.237 68 F HN 0.497 8.797 8.300 -0.000 0.000 0.439 69 N N 7.037 125.602 118.700 -0.226 0.000 2.757 69 N HA 0.268 5.012 4.740 0.006 0.000 0.296 69 N C -2.834 172.458 175.510 -0.364 0.000 1.874 69 N CA -1.270 51.620 53.050 -0.267 0.000 0.885 69 N CB 0.897 39.296 38.487 -0.146 0.000 1.242 69 N HN 0.275 8.655 8.380 -0.000 0.000 0.488 70 P HA 0.059 4.479 4.420 -0.000 0.000 0.275 70 P C -0.448 176.754 177.300 -0.164 0.000 1.227 70 P CA -0.148 62.824 63.100 -0.214 0.000 0.781 70 P CB 1.595 33.213 31.700 -0.137 0.000 0.906 71 S N 1.927 117.548 115.700 -0.132 0.000 2.665 71 S HA 0.612 5.086 4.470 0.006 0.000 0.230 71 S C 0.213 174.833 174.600 0.035 0.000 1.326 71 S CA 0.305 58.459 58.200 -0.075 0.000 1.055 71 S CB -1.416 61.712 63.200 -0.119 0.000 1.178 71 S HN 0.907 9.217 8.310 -0.000 0.000 0.489 72 G N 3.508 112.354 108.800 0.077 0.000 2.265 72 G HA2 -0.085 3.878 3.960 0.006 0.000 0.246 72 G HA3 -0.085 3.878 3.960 0.006 0.000 0.246 72 G C -1.084 173.956 174.900 0.234 0.000 1.299 72 G CA -0.993 44.197 45.100 0.151 0.000 1.117 72 G HN 0.566 8.856 8.290 -0.000 0.000 0.485 73 N N 1.498 120.393 118.700 0.325 0.000 2.411 73 N HA 0.675 5.419 4.740 0.006 0.000 0.259 73 N C 0.046 175.776 175.510 0.366 0.000 1.103 73 N CA 0.955 54.245 53.050 0.401 0.000 0.954 73 N CB 0.757 39.537 38.487 0.489 0.000 1.085 73 N HN 1.589 9.969 8.380 -0.000 0.000 0.485 74 A N 3.454 126.504 122.820 0.383 0.000 2.601 74 A HA 0.753 5.077 4.320 0.006 0.000 0.291 74 A C -1.024 176.885 177.584 0.542 0.000 1.075 74 A CA -0.793 51.467 52.037 0.372 0.000 0.671 74 A CB 1.354 20.641 19.000 0.477 0.000 1.277 74 A HN 0.648 8.798 8.150 -0.000 0.000 0.417 75 R N -0.634 120.130 120.500 0.440 0.000 2.771 75 R HA 0.652 4.996 4.340 0.006 0.000 0.274 75 R C -1.894 174.419 176.300 0.022 0.000 0.987 75 R CA -0.853 55.448 56.100 0.336 0.000 0.908 75 R CB 2.253 32.713 30.300 0.266 0.000 1.213 75 R HN 0.599 8.869 8.270 -0.000 0.000 0.468 76 L N 1.467 122.486 121.223 -0.340 0.000 2.319 76 L HA 0.552 4.896 4.340 0.006 0.000 0.281 76 L C -1.004 175.773 176.870 -0.154 0.000 1.005 76 L CA 0.221 54.785 54.840 -0.461 0.000 0.828 76 L CB 1.716 43.197 42.059 -0.964 0.000 1.227 76 L HN 0.823 9.053 8.230 -0.000 0.000 0.415 77 T N 2.979 117.500 114.554 -0.056 0.000 2.956 77 T HA 0.384 4.738 4.350 0.006 0.000 0.312 77 T C -1.096 173.644 174.700 0.067 0.000 1.151 77 T CA -0.768 61.371 62.100 0.064 0.000 1.024 77 T CB 1.283 70.259 68.868 0.180 0.000 1.140 77 T HN 0.540 8.780 8.240 -0.000 0.000 0.473 78 L N 4.348 125.624 121.223 0.088 0.000 2.295 78 L HA 0.499 4.843 4.340 0.006 0.000 0.288 78 L C -1.351 175.644 176.870 0.209 0.000 1.079 78 L CA -0.475 54.459 54.840 0.157 0.000 0.830 78 L CB -0.330 41.801 42.059 0.121 0.000 1.200 78 L HN 0.950 9.180 8.230 -0.000 0.000 0.438 79 Y N 4.716 124.994 120.300 -0.036 0.000 2.446 79 Y HA 0.745 5.298 4.550 0.005 0.000 0.345 79 Y C -0.062 175.527 175.900 -0.519 0.000 0.984 79 Y CA -0.082 57.786 58.100 -0.387 0.000 1.058 79 Y CB 2.022 40.313 38.460 -0.281 0.000 1.220 79 Y HN 0.679 8.959 8.280 -0.000 0.000 0.455 80 G N 2.662 110.354 108.800 -1.845 0.000 2.548 80 G HA2 0.416 4.380 3.960 0.006 0.000 0.301 80 G HA3 0.416 4.380 3.960 0.006 0.000 0.301 80 G C -2.580 171.230 174.900 -1.816 0.000 1.349 80 G CA -0.968 43.200 45.100 -1.553 0.000 0.792 80 G HN 0.631 8.921 8.290 -0.000 0.000 0.481 81 W N -0.242 120.498 121.300 -0.933 0.000 3.033 81 W HA 0.670 5.336 4.660 0.010 0.000 0.336 81 W C 0.258 176.564 176.519 -0.355 0.000 1.173 81 W CA -0.321 56.607 57.345 -0.695 0.000 1.185 81 W CB 2.543 31.537 29.460 -0.776 0.000 1.425 81 W HN 0.767 8.947 8.180 -0.000 0.000 0.536 82 T N -0.882 113.616 114.554 -0.094 0.000 2.907 82 T HA 0.827 5.180 4.350 0.006 0.000 0.290 82 T C -0.586 174.027 174.700 -0.144 0.000 1.066 82 T CA -1.170 60.818 62.100 -0.187 0.000 1.012 82 T CB 2.069 70.713 68.868 -0.374 0.000 1.184 82 T HN 0.456 8.696 8.240 -0.000 0.000 0.522 83 R N 0.563 120.969 120.500 -0.157 0.000 2.854 83 R HA 0.549 4.893 4.340 0.006 0.000 0.271 83 R C -0.557 175.670 176.300 -0.122 0.000 0.996 83 R CA -1.083 54.935 56.100 -0.137 0.000 0.961 83 R CB 0.906 31.129 30.300 -0.128 0.000 1.182 83 R HN 0.809 9.079 8.270 -0.000 0.000 0.479 84 N N 0.942 119.583 118.700 -0.098 0.000 2.696 84 N HA -0.107 4.636 4.740 0.006 0.000 0.256 84 N C -2.485 172.980 175.510 -0.076 0.000 1.031 84 N CA 0.612 53.618 53.050 -0.072 0.000 0.730 84 N CB -1.122 37.328 38.487 -0.062 0.000 0.894 84 N HN 0.496 8.876 8.380 -0.000 0.000 0.544 85 P HA 0.278 4.698 4.420 -0.000 0.000 0.285 85 P C 0.032 177.256 177.300 -0.128 0.000 1.269 85 P CA -0.868 62.183 63.100 -0.081 0.000 0.844 85 P CB 1.096 32.758 31.700 -0.064 0.000 1.094 86 L N 2.552 123.707 121.223 -0.114 0.000 2.361 86 L HA 0.305 4.649 4.340 0.006 0.000 0.278 86 L C -0.775 175.990 176.870 -0.175 0.000 1.113 86 L CA 0.205 54.961 54.840 -0.140 0.000 0.849 86 L CB -0.014 41.952 42.059 -0.155 0.000 1.155 86 L HN 0.090 8.320 8.230 -0.000 0.000 0.452 87 V N 3.794 123.561 119.914 -0.245 0.000 2.932 87 V HA 0.583 4.707 4.120 0.006 0.000 0.307 87 V C -0.531 175.188 176.094 -0.625 0.000 1.147 87 V CA -0.447 61.565 62.300 -0.481 0.000 0.951 87 V CB 2.395 33.760 31.823 -0.764 0.000 1.031 87 V HN 0.878 9.068 8.190 -0.000 0.000 0.426 88 S N 3.298 118.443 115.700 -0.925 0.000 2.549 88 S HA 0.905 5.379 4.470 0.006 0.000 0.297 88 S C -1.022 172.908 174.600 -1.117 0.000 1.115 88 S CA -0.613 56.668 58.200 -1.533 0.000 1.059 88 S CB 1.698 63.644 63.200 -2.089 0.000 1.046 88 S HN 1.036 9.346 8.310 -0.000 0.000 0.506 89 Y N -1.105 118.527 120.300 -1.114 0.000 2.576 89 Y HA 0.823 5.377 4.550 0.006 0.000 0.346 89 Y C -1.233 174.206 175.900 -0.768 0.000 1.018 89 Y CA -1.328 56.300 58.100 -0.787 0.000 1.050 89 Y CB 0.979 39.214 38.460 -0.376 0.000 1.280 89 Y HN 0.794 9.073 8.280 -0.000 0.000 0.474 90 H N 2.148 121.067 119.070 -0.251 0.000 2.934 90 H HA 0.529 5.089 4.556 0.007 0.000 0.340 90 H C -1.414 174.073 175.328 0.265 0.000 1.008 90 H CA -0.795 55.209 56.048 -0.074 0.000 1.317 90 H CB 1.714 31.242 29.762 -0.390 0.000 1.670 90 H HN 0.759 9.039 8.280 -0.000 0.000 0.516 91 I N 3.762 124.566 120.570 0.390 0.000 2.337 91 I HA 0.207 4.380 4.170 0.006 0.000 0.285 91 I C -0.419 175.878 176.117 0.300 0.000 1.041 91 I CA -0.712 60.745 61.300 0.261 0.000 1.199 91 I CB 0.898 38.821 38.000 -0.128 0.000 1.370 91 I HN 0.283 8.493 8.210 -0.000 0.000 0.470 92 V N 7.180 127.368 119.914 0.456 0.000 2.364 92 V HA 0.182 4.306 4.120 0.006 0.000 0.272 92 V C 0.983 177.361 176.094 0.473 0.000 1.036 92 V CA -0.306 62.259 62.300 0.443 0.000 0.880 92 V CB 1.102 33.233 31.823 0.514 0.000 0.991 92 V HN 0.676 8.866 8.190 -0.000 0.000 0.460 93 E N 2.041 122.419 120.200 0.296 0.000 2.166 93 E HA 0.120 4.474 4.350 0.006 0.000 0.192 93 E C 0.771 177.470 176.600 0.164 0.000 0.967 93 E CA 0.462 57.013 56.400 0.251 0.000 0.840 93 E CB 0.830 30.597 29.700 0.112 0.000 0.795 93 E HN 0.584 8.944 8.360 -0.000 0.000 0.470 94 S N -0.994 114.753 115.700 0.077 0.000 2.638 94 S HA 0.574 5.048 4.470 0.006 0.000 0.274 94 S C -2.008 172.719 174.600 0.211 0.000 1.157 94 S CA -0.867 57.275 58.200 -0.097 0.000 0.826 94 S CB 0.852 63.938 63.200 -0.190 0.000 1.139 94 S HN 0.221 8.531 8.310 -0.000 0.000 0.474 95 W N 0.082 121.584 121.300 0.337 0.000 2.988 95 W HA 0.804 5.467 4.660 0.006 0.000 0.355 95 W C 0.032 176.815 176.519 0.440 0.000 1.233 95 W CA -0.493 57.098 57.345 0.411 0.000 1.176 95 W CB 0.105 29.707 29.460 0.236 0.000 1.477 95 W HN 0.822 9.002 8.180 -0.000 0.000 0.582 96 G N 0.177 109.307 108.800 0.551 0.000 3.329 96 G HA2 0.299 4.263 3.960 0.006 0.000 0.180 96 G HA3 0.299 4.263 3.960 0.006 0.000 0.180 96 G C 0.533 175.588 174.900 0.258 0.000 1.640 96 G CA 0.361 45.623 45.100 0.270 0.000 1.018 96 G HN 0.581 8.871 8.290 -0.000 0.000 0.581 97 T N -0.088 114.525 114.554 0.097 0.000 2.759 97 T HA -0.029 4.325 4.350 0.006 0.000 0.269 97 T C 0.026 174.528 174.700 -0.330 0.000 1.042 97 T CA 1.362 63.344 62.100 -0.196 0.000 1.140 97 T CB -0.290 68.297 68.868 -0.467 0.000 0.864 97 T HN 0.211 8.451 8.240 -0.000 0.000 0.455 98 Y N 0.420 120.865 120.300 0.242 0.000 2.364 98 Y HA 0.523 5.077 4.550 0.006 0.000 0.340 98 Y C 0.285 176.171 175.900 -0.024 0.000 0.975 98 Y CA -1.670 56.490 58.100 0.100 0.000 1.089 98 Y CB 1.087 39.569 38.460 0.037 0.000 1.192 98 Y HN -0.158 8.122 8.280 -0.000 0.000 0.454 99 R N 5.371 125.757 120.500 -0.190 0.000 2.221 99 R HA 0.409 4.752 4.340 0.006 0.000 0.327 99 R C -2.605 173.378 176.300 -0.528 0.000 1.033 99 R CA -1.746 53.852 56.100 -0.838 0.000 0.887 99 R CB 0.562 30.232 30.300 -1.051 0.000 1.057 99 R HN 0.405 8.675 8.270 -0.000 0.000 0.455 100 P HA 0.067 4.487 4.420 -0.000 0.000 0.268 100 P C -0.870 175.933 177.300 -0.829 0.000 1.205 100 P CA -0.015 62.715 63.100 -0.617 0.000 0.771 100 P CB 1.319 32.648 31.700 -0.620 0.000 0.858 101 T N -1.131 112.812 114.554 -1.018 0.000 2.754 101 T HA 0.831 5.184 4.350 0.006 0.000 0.296 101 T C -0.168 173.793 174.700 -1.232 0.000 1.205 101 T CA -0.282 60.944 62.100 -1.457 0.000 1.009 101 T CB 1.786 70.117 68.868 -0.896 0.000 1.368 101 T HN 0.636 8.876 8.240 -0.000 0.000 0.509 102 G N -0.286 107.899 108.800 -1.025 0.000 2.450 102 G HA2 0.498 4.462 3.960 0.006 0.000 0.273 102 G HA3 0.498 4.462 3.960 0.006 0.000 0.273 102 G C -1.106 173.804 174.900 0.018 0.000 1.221 102 G CA -0.488 44.381 45.100 -0.385 0.000 0.900 102 G HN 0.866 9.156 8.290 -0.000 0.000 0.483 103 T N 1.200 115.849 114.554 0.158 0.000 2.752 103 T HA 0.315 4.669 4.350 0.006 0.000 0.295 103 T C -0.500 174.409 174.700 0.348 0.000 0.923 103 T CA 0.307 62.543 62.100 0.226 0.000 1.112 103 T CB 0.296 69.271 68.868 0.180 0.000 0.884 103 T HN 0.427 8.667 8.240 -0.000 0.000 0.525 104 Y N 3.598 124.036 120.300 0.230 0.000 2.402 104 Y HA 0.200 4.753 4.550 0.006 0.000 0.333 104 Y C 1.012 176.919 175.900 0.012 0.000 1.076 104 Y CA 0.054 58.217 58.100 0.105 0.000 1.299 104 Y CB 0.419 38.936 38.460 0.095 0.000 1.197 104 Y HN 0.529 8.809 8.280 -0.000 0.000 0.517 105 K N 5.200 125.235 120.400 -0.608 0.000 2.506 105 K HA 0.397 4.721 4.320 0.006 0.000 0.204 105 K C 0.150 176.392 176.600 -0.596 0.000 1.045 105 K CA 0.363 56.379 56.287 -0.451 0.000 1.074 105 K CB 0.600 32.966 32.500 -0.224 0.000 0.842 105 K HN 1.011 9.261 8.250 -0.000 0.000 0.514 106 G N 1.216 109.298 108.800 -1.198 0.000 2.318 106 G HA2 -0.159 3.805 3.960 0.006 0.000 0.367 106 G HA3 -0.159 3.805 3.960 0.006 0.000 0.367 106 G C -0.770 173.869 174.900 -0.435 0.000 1.260 106 G CA -0.530 44.200 45.100 -0.617 0.000 1.055 106 G HN 0.093 8.383 8.290 -0.000 0.000 0.484 107 T N -3.194 111.291 114.554 -0.114 0.000 2.906 107 T HA 0.838 5.192 4.350 0.006 0.000 0.295 107 T C -0.949 173.761 174.700 0.018 0.000 1.075 107 T CA -0.100 62.005 62.100 0.008 0.000 1.005 107 T CB 1.962 70.888 68.868 0.096 0.000 1.136 107 T HN 2.148 10.388 8.240 -0.000 0.000 0.498 108 V N 0.717 120.671 119.914 0.067 0.000 2.789 108 V HA 0.723 4.847 4.120 0.006 0.000 0.311 108 V C -0.942 175.195 176.094 0.073 0.000 1.073 108 V CA -0.325 61.969 62.300 -0.011 0.000 0.921 108 V CB 2.308 34.027 31.823 -0.173 0.000 1.009 108 V HN 1.193 9.383 8.190 -0.000 0.000 0.426 109 T N 4.761 119.330 114.554 0.024 0.000 2.772 109 T HA 0.633 4.987 4.350 0.006 0.000 0.288 109 T C -0.471 174.243 174.700 0.023 0.000 0.994 109 T CA -0.116 62.029 62.100 0.075 0.000 0.951 109 T CB 0.946 69.845 68.868 0.051 0.000 0.933 109 T HN 0.955 9.195 8.240 -0.000 0.000 0.447 110 T N 2.243 116.850 114.554 0.089 0.000 2.942 110 T HA 0.344 4.698 4.350 0.006 0.000 0.327 110 T C -1.238 173.549 174.700 0.144 0.000 1.360 110 T CA -0.579 61.530 62.100 0.015 0.000 1.055 110 T CB 0.949 69.694 68.868 -0.206 0.000 1.261 110 T HN 0.655 8.895 8.240 -0.000 0.000 0.485 111 D N 2.261 122.713 120.400 0.087 0.000 2.708 111 D HA -0.201 4.443 4.640 0.006 0.000 0.236 111 D C 1.008 177.390 176.300 0.138 0.000 1.146 111 D CA 1.891 55.963 54.000 0.120 0.000 0.662 111 D CB -1.471 39.435 40.800 0.177 0.000 1.059 111 D HN 1.608 9.978 8.370 -0.000 0.000 0.428 112 G N -1.388 107.473 108.800 0.102 0.000 2.184 112 G HA2 -0.138 3.825 3.960 0.006 0.000 0.264 112 G HA3 -0.138 3.825 3.960 0.006 0.000 0.264 112 G C 0.522 175.473 174.900 0.086 0.000 0.975 112 G CA 0.607 45.754 45.100 0.079 0.000 0.642 112 G HN 1.028 9.318 8.290 -0.000 0.000 0.536 113 G N -1.769 107.110 108.800 0.132 0.000 2.605 113 G HA2 0.715 4.678 3.960 0.006 0.000 0.296 113 G HA3 0.715 4.678 3.960 0.006 0.000 0.296 113 G C -0.821 174.143 174.900 0.105 0.000 1.304 113 G CA 0.307 45.447 45.100 0.068 0.000 0.941 113 G HN 0.586 8.876 8.290 -0.000 0.000 0.475 114 T N 0.541 115.107 114.554 0.020 0.000 2.823 114 T HA 0.550 4.904 4.350 0.006 0.000 0.279 114 T C -1.332 173.393 174.700 0.043 0.000 0.998 114 T CA 0.056 62.221 62.100 0.108 0.000 0.994 114 T CB 0.846 69.766 68.868 0.087 0.000 0.960 114 T HN 0.318 8.558 8.240 -0.000 0.000 0.448 115 Y N 1.082 121.470 120.300 0.145 0.000 2.429 115 Y HA 0.353 4.907 4.550 0.006 0.000 0.342 115 Y C 0.486 176.469 175.900 0.138 0.000 1.004 115 Y CA -1.219 57.003 58.100 0.204 0.000 1.075 115 Y CB 1.316 39.958 38.460 0.303 0.000 1.214 115 Y HN 0.526 8.806 8.280 -0.000 0.000 0.455 116 D N 3.373 123.926 120.400 0.255 0.000 2.302 116 D HA 0.315 4.959 4.640 0.006 0.000 0.248 116 D C -0.393 175.821 176.300 -0.144 0.000 1.094 116 D CA 0.155 54.167 54.000 0.020 0.000 0.897 116 D CB 1.648 42.436 40.800 -0.021 0.000 1.200 116 D HN 0.393 8.763 8.370 -0.000 0.000 0.429 117 I N 2.232 122.580 120.570 -0.371 0.000 2.359 117 I HA 0.255 4.429 4.170 0.006 0.000 0.294 117 I C -0.699 175.093 176.117 -0.541 0.000 0.987 117 I CA -0.628 60.537 61.300 -0.224 0.000 1.225 117 I CB 0.695 38.646 38.000 -0.080 0.000 1.366 117 I HN 0.201 8.411 8.210 -0.000 0.000 0.466 118 Y N 3.536 123.895 120.300 0.098 0.000 2.545 118 Y HA 0.498 5.052 4.550 0.006 0.000 0.348 118 Y C -0.241 175.736 175.900 0.128 0.000 1.002 118 Y CA -0.943 57.196 58.100 0.064 0.000 1.039 118 Y CB 1.697 40.144 38.460 -0.021 0.000 1.271 118 Y HN 0.437 8.717 8.280 -0.000 0.000 0.467 119 E N 1.087 121.452 120.200 0.274 0.000 2.238 119 E HA 0.661 5.015 4.350 0.006 0.000 0.267 119 E C -1.321 175.421 176.600 0.238 0.000 0.887 119 E CA -0.650 55.899 56.400 0.249 0.000 0.769 119 E CB 1.867 31.622 29.700 0.092 0.000 1.187 119 E HN 0.788 9.148 8.360 -0.000 0.000 0.416 120 T N -0.296 114.394 114.554 0.226 0.000 2.887 120 T HA 0.607 4.960 4.350 0.006 0.000 0.292 120 T C -1.057 173.595 174.700 -0.080 0.000 1.087 120 T CA -0.801 61.387 62.100 0.147 0.000 1.009 120 T CB 0.843 69.808 68.868 0.162 0.000 1.203 120 T HN 0.454 8.694 8.240 -0.000 0.000 0.518 121 W N 0.146 121.356 121.300 -0.149 0.000 2.781 121 W HA 0.706 5.369 4.660 0.006 0.000 0.345 121 W C 0.074 176.196 176.519 -0.662 0.000 1.085 121 W CA -0.930 56.146 57.345 -0.447 0.000 1.198 121 W CB 1.965 31.078 29.460 -0.579 0.000 1.423 121 W HN 0.539 8.719 8.180 -0.000 0.000 0.532 122 R N 1.991 122.125 120.500 -0.609 0.000 2.599 122 R HA 0.464 4.808 4.340 0.006 0.000 0.295 122 R C -1.721 174.242 176.300 -0.561 0.000 0.963 122 R CA -1.179 54.572 56.100 -0.582 0.000 0.883 122 R CB 1.882 31.803 30.300 -0.632 0.000 1.171 122 R HN 0.433 8.703 8.270 -0.000 0.000 0.450 123 Y N 0.888 121.187 120.300 -0.002 0.000 2.335 123 Y HA 0.199 4.752 4.550 0.006 0.000 0.338 123 Y C 0.230 176.159 175.900 0.049 0.000 0.977 123 Y CA -1.069 57.054 58.100 0.038 0.000 1.114 123 Y CB 1.383 39.849 38.460 0.010 0.000 1.182 123 Y HN 0.710 8.990 8.280 -0.000 0.000 0.463 124 N N 0.714 119.528 118.700 0.190 0.000 2.705 124 N HA -0.163 4.580 4.740 0.006 0.000 0.255 124 N C -0.864 174.732 175.510 0.142 0.000 1.008 124 N CA 0.605 53.745 53.050 0.151 0.000 0.742 124 N CB -0.524 38.035 38.487 0.120 0.000 0.906 124 N HN 0.676 9.056 8.380 -0.000 0.000 0.541 125 A N -0.237 122.689 122.820 0.176 0.000 2.386 125 A HA 0.838 5.162 4.320 0.006 0.000 0.308 125 A C -2.484 175.247 177.584 0.245 0.000 1.128 125 A CA -1.682 50.464 52.037 0.183 0.000 0.789 125 A CB 1.252 20.331 19.000 0.132 0.000 1.325 125 A HN -0.022 8.128 8.150 -0.000 0.000 0.437 126 P HA 0.286 4.706 4.420 -0.000 0.000 0.269 126 P C -0.179 177.246 177.300 0.209 0.000 1.209 126 P CA 0.317 63.511 63.100 0.156 0.000 0.776 126 P CB 0.913 32.687 31.700 0.124 0.000 0.876 127 S N 0.828 116.514 115.700 -0.023 0.000 2.661 127 S HA 0.311 4.785 4.470 0.006 0.000 0.268 127 S C 0.896 175.136 174.600 -0.599 0.000 1.162 127 S CA -0.736 57.257 58.200 -0.344 0.000 0.817 127 S CB 0.050 62.907 63.200 -0.572 0.000 1.141 127 S HN 0.372 8.682 8.310 -0.000 0.000 0.477 128 I N -1.821 118.034 120.570 -1.193 0.000 2.916 128 I HA 0.195 4.369 4.170 0.006 0.000 0.267 128 I C 1.142 176.957 176.117 -0.502 0.000 1.263 128 I CA 1.123 61.910 61.300 -0.855 0.000 1.471 128 I CB -0.485 36.846 38.000 -1.115 0.000 1.089 128 I HN 0.663 8.873 8.210 -0.000 0.000 0.468 129 E N 1.564 121.493 120.200 -0.451 0.000 2.501 129 E HA 0.377 4.731 4.350 0.006 0.000 0.200 129 E C 0.806 177.298 176.600 -0.180 0.000 1.016 129 E CA 0.208 56.446 56.400 -0.269 0.000 0.921 129 E CB 0.572 30.129 29.700 -0.239 0.000 1.034 129 E HN 0.680 9.040 8.360 -0.000 0.000 0.468 130 G N 0.814 109.511 108.800 -0.171 0.000 2.582 130 G HA2 -0.226 3.737 3.960 0.006 0.000 0.222 130 G HA3 -0.226 3.737 3.960 0.006 0.000 0.222 130 G C -0.122 174.754 174.900 -0.040 0.000 1.311 130 G CA -0.707 44.342 45.100 -0.084 0.000 0.915 130 G HN 0.070 8.360 8.290 -0.000 0.000 0.528 131 T N 2.665 117.224 114.554 0.008 0.000 2.817 131 T HA 0.544 4.898 4.350 0.006 0.000 0.295 131 T C 0.516 175.266 174.700 0.083 0.000 0.958 131 T CA 0.353 62.490 62.100 0.061 0.000 1.157 131 T CB 0.321 69.224 68.868 0.058 0.000 0.898 131 T HN 0.659 8.899 8.240 -0.000 0.000 0.536 132 R N 1.717 122.316 120.500 0.166 0.000 2.734 132 R HA 0.461 4.805 4.340 0.006 0.000 0.271 132 R C -0.923 175.579 176.300 0.335 0.000 1.021 132 R CA -0.785 55.441 56.100 0.208 0.000 0.893 132 R CB 1.774 32.158 30.300 0.141 0.000 1.244 132 R HN 0.455 8.725 8.270 -0.000 0.000 0.464 133 T N 2.455 117.182 114.554 0.288 0.000 2.794 133 T HA 0.662 5.016 4.350 0.006 0.000 0.280 133 T C -1.036 173.872 174.700 0.347 0.000 0.987 133 T CA -0.391 61.855 62.100 0.244 0.000 0.993 133 T CB 0.429 69.427 68.868 0.218 0.000 0.939 133 T HN 0.510 8.750 8.240 -0.000 0.000 0.449 134 Y N 0.291 120.642 120.300 0.086 0.000 2.713 134 Y HA 0.629 5.184 4.550 0.008 0.000 0.335 134 Y C -0.974 174.646 175.900 -0.466 0.000 1.222 134 Y CA -1.576 56.449 58.100 -0.124 0.000 1.061 134 Y CB 0.932 39.330 38.460 -0.104 0.000 1.314 134 Y HN 0.386 8.666 8.280 -0.000 0.000 0.453 135 Q N 1.282 120.657 119.800 -0.708 0.000 2.221 135 Q HA 0.519 4.862 4.340 0.006 0.000 0.242 135 Q C -1.206 174.357 176.000 -0.728 0.000 0.940 135 Q CA -1.042 54.139 55.803 -1.037 0.000 0.896 135 Q CB 1.747 29.854 28.738 -1.051 0.000 1.226 135 Q HN 0.589 8.859 8.270 -0.000 0.000 0.463 136 Q N 1.135 120.573 119.800 -0.602 0.000 2.356 136 Q HA 0.471 4.815 4.340 0.006 0.000 0.270 136 Q C -1.328 174.448 176.000 -0.374 0.000 1.058 136 Q CA -0.578 54.883 55.803 -0.570 0.000 0.802 136 Q CB 1.614 30.159 28.738 -0.321 0.000 1.303 136 Q HN 0.409 8.679 8.270 -0.000 0.000 0.444 137 F N 0.772 120.288 119.950 -0.724 0.000 2.492 137 F HA 0.551 5.083 4.527 0.007 0.000 0.327 137 F C -0.737 174.498 175.800 -0.941 0.000 1.079 137 F CA -1.493 55.996 58.000 -0.852 0.000 0.967 137 F CB 1.050 39.247 39.000 -1.338 0.000 1.169 137 F HN 0.459 8.759 8.300 -0.000 0.000 0.472 138 W N 0.299 121.457 121.300 -0.237 0.000 2.998 138 W HA 0.622 5.286 4.660 0.007 0.000 0.335 138 W C -0.804 175.895 176.519 0.300 0.000 1.110 138 W CA -0.639 56.773 57.345 0.113 0.000 1.230 138 W CB 2.040 31.635 29.460 0.225 0.000 1.405 138 W HN 0.198 8.378 8.180 -0.000 0.000 0.493 139 S N 1.788 117.956 115.700 0.779 0.000 2.498 139 S HA 0.703 5.176 4.470 0.006 0.000 0.317 139 S C -0.966 174.081 174.600 0.746 0.000 1.090 139 S CA -0.692 57.960 58.200 0.754 0.000 1.089 139 S CB 1.205 64.811 63.200 0.678 0.000 0.997 139 S HN 0.214 8.524 8.310 -0.000 0.000 0.470 140 V N 4.132 124.460 119.914 0.690 0.000 2.444 140 V HA 0.436 4.559 4.120 0.006 0.000 0.294 140 V C 0.393 176.750 176.094 0.439 0.000 1.022 140 V CA -0.926 61.714 62.300 0.566 0.000 0.850 140 V CB 1.449 33.513 31.823 0.400 0.000 0.992 140 V HN 0.778 8.968 8.190 -0.000 0.000 0.426 141 R N 2.432 123.128 120.500 0.327 0.000 2.698 141 R HA 0.075 4.419 4.340 0.006 0.000 0.266 141 R C 1.115 177.511 176.300 0.160 0.000 1.026 141 R CA 0.266 56.262 56.100 -0.173 0.000 1.102 141 R CB 0.509 30.680 30.300 -0.215 0.000 0.978 141 R HN 0.741 9.011 8.270 -0.000 0.000 0.436 142 Q N 1.327 121.154 119.800 0.046 0.000 2.378 142 Q HA -0.099 4.245 4.340 0.006 0.000 0.205 142 Q C -0.229 175.917 176.000 0.244 0.000 0.954 142 Q CA 0.980 56.880 55.803 0.161 0.000 0.901 142 Q CB 0.467 29.261 28.738 0.093 0.000 0.981 142 Q HN 0.462 8.732 8.270 -0.000 0.000 0.483 143 Q N -0.189 119.719 119.800 0.179 0.000 2.372 143 Q HA 0.307 4.651 4.340 0.006 0.000 0.273 143 Q C -1.265 174.756 176.000 0.035 0.000 1.078 143 Q CA -0.508 55.378 55.803 0.138 0.000 0.806 143 Q CB 1.927 30.697 28.738 0.054 0.000 1.332 143 Q HN -0.111 8.159 8.270 -0.000 0.000 0.435 144 K N 1.467 121.754 120.400 -0.189 0.000 2.436 144 K HA 0.324 4.648 4.320 0.006 0.000 0.275 144 K C -0.253 176.281 176.600 -0.111 0.000 0.999 144 K CA 0.068 56.140 56.287 -0.358 0.000 0.980 144 K CB 0.676 32.844 32.500 -0.552 0.000 0.919 144 K HN 0.460 8.710 8.250 -0.000 0.000 0.484 145 R N 0.294 120.779 120.500 -0.025 0.000 2.698 145 R HA 0.172 4.516 4.340 0.006 0.000 0.275 145 R C -0.399 175.985 176.300 0.140 0.000 1.001 145 R CA -0.428 55.712 56.100 0.066 0.000 0.896 145 R CB 1.481 31.859 30.300 0.130 0.000 1.218 145 R HN 0.747 9.017 8.270 -0.000 0.000 0.462 146 T N -1.508 113.131 114.554 0.142 0.000 3.231 146 T HA 0.273 4.626 4.350 0.006 0.000 0.292 146 T C -0.501 174.268 174.700 0.115 0.000 1.001 146 T CA 0.167 62.407 62.100 0.234 0.000 0.920 146 T CB -0.057 68.919 68.868 0.180 0.000 1.140 146 T HN 0.537 8.777 8.240 -0.000 0.000 0.525 147 S N -1.085 114.515 115.700 -0.166 0.000 2.552 147 S HA 0.856 5.330 4.470 0.006 0.000 0.272 147 S C -0.258 173.986 174.600 -0.593 0.000 1.150 147 S CA -0.255 57.549 58.200 -0.661 0.000 0.849 147 S CB 1.532 64.552 63.200 -0.300 0.000 1.113 147 S HN 1.445 9.755 8.310 -0.000 0.000 0.458 148 G N 0.529 108.875 108.800 -0.757 0.000 2.350 148 G HA2 0.398 4.362 3.960 0.006 0.000 0.282 148 G HA3 0.398 4.362 3.960 0.006 0.000 0.282 148 G C -1.191 173.635 174.900 -0.123 0.000 1.314 148 G CA -0.261 44.680 45.100 -0.266 0.000 0.915 148 G HN 1.046 9.336 8.290 -0.000 0.000 0.499 149 T N 0.554 115.142 114.554 0.056 0.000 2.859 149 T HA 0.668 5.022 4.350 0.006 0.000 0.281 149 T C 0.001 174.819 174.700 0.196 0.000 1.005 149 T CA -0.110 62.063 62.100 0.122 0.000 1.025 149 T CB 1.107 70.016 68.868 0.069 0.000 0.977 149 T HN 0.501 8.741 8.240 -0.000 0.000 0.458 150 I N 2.686 123.373 120.570 0.195 0.000 2.382 150 I HA 0.224 4.398 4.170 0.006 0.000 0.285 150 I C 0.203 176.340 176.117 0.033 0.000 1.007 150 I CA -0.627 60.764 61.300 0.151 0.000 1.142 150 I CB 1.606 39.687 38.000 0.135 0.000 1.289 150 I HN 0.520 8.730 8.210 -0.000 0.000 0.453 151 T N 7.008 121.559 114.554 -0.004 0.000 3.176 151 T HA 0.306 4.660 4.350 0.006 0.000 0.301 151 T C 1.628 176.214 174.700 -0.189 0.000 1.115 151 T CA -0.117 61.922 62.100 -0.103 0.000 1.027 151 T CB 0.046 68.848 68.868 -0.109 0.000 1.063 151 T HN 0.406 8.646 8.240 -0.000 0.000 0.669 152 I N 1.633 122.029 120.570 -0.291 0.000 2.264 152 I HA -0.122 4.051 4.170 0.006 0.000 0.248 152 I C 2.736 178.347 176.117 -0.844 0.000 1.111 152 I CA 1.142 62.103 61.300 -0.566 0.000 1.382 152 I CB -0.352 37.234 38.000 -0.690 0.000 1.060 152 I HN 0.666 8.876 8.210 -0.000 0.000 0.418 153 G N 0.816 109.237 108.800 -0.632 0.000 2.462 153 G HA2 -0.251 3.713 3.960 0.006 0.000 0.220 153 G HA3 -0.251 3.713 3.960 0.006 0.000 0.220 153 G C 1.407 176.064 174.900 -0.405 0.000 1.121 153 G CA 0.693 45.489 45.100 -0.508 0.000 0.758 153 G HN 0.321 8.611 8.290 -0.000 0.000 0.559 154 N N 0.247 118.706 118.700 -0.402 0.000 2.244 154 N HA -0.048 4.696 4.740 0.006 0.000 0.183 154 N C 1.837 177.000 175.510 -0.579 0.000 1.016 154 N CA 0.711 53.514 53.050 -0.412 0.000 0.866 154 N CB -0.408 37.836 38.487 -0.405 0.000 0.980 154 N HN 0.428 8.808 8.380 -0.000 0.000 0.430 155 H N -0.294 118.382 119.070 -0.657 0.000 2.326 155 H HA -0.012 4.548 4.556 0.007 0.000 0.301 155 H C 1.586 176.186 175.328 -1.213 0.000 1.081 155 H CA 0.889 56.340 56.048 -0.996 0.000 1.334 155 H CB -0.282 28.808 29.762 -1.121 0.000 1.385 155 H HN 0.156 8.436 8.280 -0.000 0.000 0.504 156 F N 1.816 121.211 119.950 -0.925 0.000 2.161 156 F HA -0.153 4.377 4.527 0.006 0.000 0.300 156 F C 2.179 177.778 175.800 -0.334 0.000 1.089 156 F CA 0.682 58.311 58.000 -0.619 0.000 1.282 156 F CB -0.821 37.982 39.000 -0.327 0.000 1.010 156 F HN 0.116 8.416 8.300 -0.000 0.000 0.485 157 D N 0.071 120.404 120.400 -0.113 0.000 2.117 157 D HA -0.120 4.524 4.640 0.006 0.000 0.197 157 D C 2.395 178.633 176.300 -0.104 0.000 0.987 157 D CA 1.479 55.424 54.000 -0.092 0.000 0.829 157 D CB -0.591 40.140 40.800 -0.115 0.000 0.961 157 D HN 0.204 8.574 8.370 -0.000 0.000 0.460 158 A N 0.835 123.538 122.820 -0.195 0.000 1.902 158 A HA -0.165 4.158 4.320 0.006 0.000 0.217 158 A C 2.013 179.613 177.584 0.027 0.000 1.181 158 A CA 1.015 52.977 52.037 -0.125 0.000 0.623 158 A CB -0.960 17.926 19.000 -0.191 0.000 0.818 158 A HN 0.220 8.370 8.150 -0.000 0.000 0.443 159 W N -0.310 120.928 121.300 -0.104 0.000 2.355 159 W HA -0.071 4.592 4.660 0.005 0.000 0.309 159 W C 2.825 179.200 176.519 -0.240 0.000 1.206 159 W CA 0.746 57.958 57.345 -0.221 0.000 1.284 159 W CB -1.448 27.855 29.460 -0.261 0.000 1.145 159 W HN 0.433 8.613 8.180 -0.000 0.000 0.502 160 A N 0.636 123.505 122.820 0.081 0.000 1.940 160 A HA -0.204 4.120 4.320 0.006 0.000 0.219 160 A C 2.122 179.694 177.584 -0.020 0.000 1.176 160 A CA 1.766 53.805 52.037 0.004 0.000 0.631 160 A CB -0.830 18.176 19.000 0.010 0.000 0.814 160 A HN 0.293 8.443 8.150 -0.000 0.000 0.446 161 R N -0.674 119.815 120.500 -0.019 0.000 2.152 161 R HA -0.057 4.287 4.340 0.006 0.000 0.232 161 R C 1.785 178.063 176.300 -0.036 0.000 1.117 161 R CA 1.009 57.092 56.100 -0.028 0.000 0.981 161 R CB -0.323 29.958 30.300 -0.033 0.000 0.870 161 R HN 0.483 8.753 8.270 -0.000 0.000 0.451 162 A N -0.097 122.693 122.820 -0.049 0.000 2.337 162 A HA 0.300 4.624 4.320 0.006 0.000 0.227 162 A C 1.220 178.748 177.584 -0.094 0.000 1.259 162 A CA 0.534 52.525 52.037 -0.076 0.000 0.870 162 A CB 0.082 19.021 19.000 -0.102 0.000 0.927 162 A HN 0.405 8.555 8.150 -0.000 0.000 0.497 163 G N -1.198 107.553 108.800 -0.081 0.000 2.159 163 G HA2 -0.262 3.701 3.960 0.006 0.000 0.256 163 G HA3 -0.262 3.701 3.960 0.006 0.000 0.256 163 G C 0.142 174.959 174.900 -0.137 0.000 0.977 163 G CA 0.437 45.494 45.100 -0.071 0.000 0.652 163 G HN 0.430 8.720 8.290 -0.000 0.000 0.531 164 M N 1.485 120.907 119.600 -0.297 0.000 2.206 164 M HA 0.327 4.811 4.480 0.006 0.000 0.353 164 M C -0.067 176.015 176.300 -0.364 0.000 1.242 164 M CA -0.139 54.718 55.300 -0.738 0.000 1.179 164 M CB 0.402 32.051 32.600 -1.586 0.000 1.374 164 M HN 0.255 8.545 8.290 -0.000 0.000 0.427 165 N N 3.048 121.764 118.700 0.027 0.000 2.421 165 N HA 0.572 5.315 4.740 0.006 0.000 0.285 165 N C -1.121 174.525 175.510 0.227 0.000 1.027 165 N CA -0.567 52.554 53.050 0.117 0.000 0.918 165 N CB 1.569 40.089 38.487 0.055 0.000 1.152 165 N HN 0.484 8.864 8.380 -0.000 0.000 0.485 166 L N 0.875 122.151 121.223 0.088 0.000 2.399 166 L HA 0.560 4.904 4.340 0.006 0.000 0.265 166 L C 1.354 178.119 176.870 -0.176 0.000 1.089 166 L CA -0.515 54.267 54.840 -0.097 0.000 0.802 166 L CB 1.018 42.886 42.059 -0.319 0.000 1.180 166 L HN 0.611 8.841 8.230 -0.000 0.000 0.454 167 G N 0.130 108.778 108.800 -0.254 0.000 2.695 167 G HA2 0.299 4.263 3.960 0.006 0.000 0.213 167 G HA3 0.299 4.263 3.960 0.006 0.000 0.213 167 G C -0.650 174.071 174.900 -0.299 0.000 1.406 167 G CA -0.437 44.533 45.100 -0.217 0.000 1.049 167 G HN 0.509 8.799 8.290 -0.000 0.000 0.573 168 S N 0.457 116.031 115.700 -0.209 0.000 2.523 168 S HA 0.253 4.727 4.470 0.006 0.000 0.275 168 S C -0.231 174.253 174.600 -0.194 0.000 1.281 168 S CA -0.397 57.709 58.200 -0.156 0.000 1.050 168 S CB 0.257 63.411 63.200 -0.076 0.000 0.937 168 S HN 0.373 8.683 8.310 -0.000 0.000 0.492 169 H N 2.847 121.896 119.070 -0.035 0.000 2.886 169 H HA 0.088 4.647 4.556 0.006 0.000 0.329 169 H C 0.592 175.908 175.328 -0.021 0.000 1.044 169 H CA 0.473 56.515 56.048 -0.010 0.000 1.456 169 H CB 0.567 30.351 29.762 0.037 0.000 1.464 169 H HN 0.681 8.961 8.280 -0.000 0.000 0.573 170 D N 1.853 122.293 120.400 0.066 0.000 2.466 170 D HA 0.002 4.646 4.640 0.006 0.000 0.271 170 D C 0.026 176.346 176.300 0.033 0.000 1.193 170 D CA -0.446 53.550 54.000 -0.007 0.000 1.103 170 D CB 0.796 41.523 40.800 -0.120 0.000 1.184 170 D HN 0.464 8.834 8.370 -0.000 0.000 0.593 171 Y N 0.364 120.639 120.300 -0.041 0.000 2.296 171 Y HA 0.361 4.914 4.550 0.006 0.000 0.343 171 Y C -0.157 175.807 175.900 0.106 0.000 1.292 171 Y CA -0.576 57.462 58.100 -0.103 0.000 1.490 171 Y CB 0.244 38.488 38.460 -0.361 0.000 1.359 171 Y HN 0.164 8.444 8.280 -0.000 0.000 0.599 172 Q N 3.137 123.237 119.800 0.500 0.000 2.275 172 Q HA 0.604 4.948 4.340 0.006 0.000 0.258 172 Q C -1.841 174.526 176.000 0.612 0.000 0.960 172 Q CA -0.666 55.425 55.803 0.480 0.000 0.801 172 Q CB 1.583 30.605 28.738 0.474 0.000 1.302 172 Q HN 0.900 9.170 8.270 -0.000 0.000 0.433 173 I N -0.072 120.813 120.570 0.525 0.000 2.865 173 I HA 0.586 4.760 4.170 0.006 0.000 0.302 173 I C -1.121 175.205 176.117 0.347 0.000 1.140 173 I CA -1.428 60.129 61.300 0.429 0.000 1.021 173 I CB 2.162 40.380 38.000 0.363 0.000 1.233 173 I HN 0.638 8.848 8.210 -0.000 0.000 0.427 174 M N 4.332 124.104 119.600 0.287 0.000 2.151 174 M HA 0.663 5.147 4.480 0.006 0.000 0.349 174 M C -0.425 176.028 176.300 0.254 0.000 1.284 174 M CA 0.000 55.436 55.300 0.227 0.000 1.173 174 M CB 0.248 32.979 32.600 0.217 0.000 1.469 174 M HN 0.806 9.096 8.290 -0.000 0.000 0.439 175 A N 3.383 126.306 122.820 0.173 0.000 2.320 175 A HA 0.832 5.156 4.320 0.006 0.000 0.334 175 A C -0.392 177.275 177.584 0.138 0.000 1.147 175 A CA -0.646 51.467 52.037 0.126 0.000 0.820 175 A CB 0.836 19.801 19.000 -0.058 0.000 1.218 175 A HN 0.676 8.826 8.150 -0.000 0.000 0.482 176 T N 2.168 116.849 114.554 0.212 0.000 2.771 176 T HA 0.466 4.820 4.350 0.006 0.000 0.281 176 T C -0.556 174.063 174.700 -0.135 0.000 0.982 176 T CA -0.204 62.012 62.100 0.193 0.000 0.978 176 T CB 0.665 69.815 68.868 0.469 0.000 0.930 176 T HN 0.654 8.894 8.240 -0.000 0.000 0.447 177 E N 1.282 121.308 120.200 -0.289 0.000 2.199 177 E HA 0.636 4.990 4.350 0.006 0.000 0.269 177 E C -0.236 175.878 176.600 -0.810 0.000 0.899 177 E CA -1.092 54.939 56.400 -0.615 0.000 0.772 177 E CB 2.200 31.733 29.700 -0.279 0.000 1.155 177 E HN 0.703 9.063 8.360 -0.000 0.000 0.408 178 G N 1.601 109.559 108.800 -1.403 0.000 2.620 178 G HA2 0.466 4.430 3.960 0.006 0.000 0.301 178 G HA3 0.466 4.430 3.960 0.006 0.000 0.301 178 G C -2.075 172.658 174.900 -0.278 0.000 1.347 178 G CA -0.460 44.112 45.100 -0.878 0.000 0.971 178 G HN 0.378 8.668 8.290 -0.000 0.000 0.488 179 Y N 0.878 121.123 120.300 -0.092 0.000 2.332 179 Y HA 0.358 4.912 4.550 0.006 0.000 0.325 179 Y C 0.534 176.515 175.900 0.135 0.000 1.054 179 Y CA -0.725 57.385 58.100 0.016 0.000 1.119 179 Y CB 1.402 39.869 38.460 0.011 0.000 1.168 179 Y HN 0.793 9.073 8.280 -0.000 0.000 0.439 180 Q N 3.024 122.624 119.800 -0.332 0.000 2.439 180 Q HA -0.199 4.144 4.340 0.006 0.000 0.325 180 Q C -0.478 175.534 176.000 0.019 0.000 1.372 180 Q CA 1.359 56.996 55.803 -0.277 0.000 0.909 180 Q CB -1.373 26.984 28.738 -0.634 0.000 1.167 180 Q HN 0.717 8.987 8.270 -0.000 0.000 0.418 181 S N -2.374 113.476 115.700 0.251 0.000 2.840 181 S HA 0.838 5.312 4.470 0.006 0.000 0.307 181 S C -0.403 174.447 174.600 0.417 0.000 1.180 181 S CA -0.712 57.700 58.200 0.354 0.000 0.846 181 S CB 2.585 66.082 63.200 0.495 0.000 1.233 181 S HN 0.105 8.415 8.310 -0.000 0.000 0.548 182 S N -1.382 114.400 115.700 0.136 0.000 2.667 182 S HA 1.027 5.501 4.470 0.006 0.000 0.292 182 S C 0.032 174.022 174.600 -1.016 0.000 1.126 182 S CA -0.141 57.826 58.200 -0.388 0.000 0.881 182 S CB 1.410 64.471 63.200 -0.233 0.000 1.132 182 S HN 1.689 9.999 8.310 -0.000 0.000 0.492 183 G N 0.678 108.494 108.800 -1.640 0.000 2.350 183 G HA2 0.469 4.432 3.960 0.006 0.000 0.276 183 G HA3 0.469 4.432 3.960 0.006 0.000 0.276 183 G C -1.363 172.623 174.900 -1.522 0.000 1.313 183 G CA 0.000 44.226 45.100 -1.458 0.000 0.903 183 G HN 1.486 9.776 8.290 -0.000 0.000 0.490 184 S N -1.630 113.505 115.700 -0.941 0.000 2.588 184 S HA 0.937 5.410 4.470 0.006 0.000 0.269 184 S C -0.561 174.140 174.600 0.168 0.000 1.157 184 S CA 0.419 58.482 58.200 -0.228 0.000 0.824 184 S CB 1.520 64.646 63.200 -0.122 0.000 1.126 184 S HN 2.494 10.804 8.310 -0.000 0.000 0.464 185 S N -0.047 115.873 115.700 0.366 0.000 2.570 185 S HA 0.842 5.316 4.470 0.006 0.000 0.270 185 S C -1.238 173.476 174.600 0.190 0.000 1.149 185 S CA -0.725 57.688 58.200 0.354 0.000 0.837 185 S CB 1.627 65.167 63.200 0.568 0.000 1.124 185 S HN 0.915 9.225 8.310 -0.000 0.000 0.465 186 T N 1.463 116.077 114.554 0.100 0.000 2.881 186 T HA 0.711 5.064 4.350 0.006 0.000 0.290 186 T C -1.236 173.396 174.700 -0.113 0.000 1.000 186 T CA -0.520 61.567 62.100 -0.023 0.000 0.978 186 T CB 1.467 70.349 68.868 0.023 0.000 0.997 186 T HN 0.747 8.987 8.240 -0.000 0.000 0.443 187 V N 2.080 121.761 119.914 -0.388 0.000 2.760 187 V HA 0.771 4.895 4.120 0.006 0.000 0.309 187 V C -0.477 175.480 176.094 -0.227 0.000 1.077 187 V CA -0.772 61.351 62.300 -0.294 0.000 0.910 187 V CB 2.221 33.802 31.823 -0.404 0.000 1.008 187 V HN 0.861 9.051 8.190 -0.000 0.000 0.424 188 S N 4.028 119.718 115.700 -0.017 0.000 2.532 188 S HA 0.861 5.334 4.470 0.006 0.000 0.299 188 S C -1.203 173.454 174.600 0.095 0.000 1.105 188 S CA -0.400 57.802 58.200 0.003 0.000 1.018 188 S CB 1.294 64.494 63.200 0.000 0.000 1.021 188 S HN 0.705 9.015 8.310 -0.000 0.000 0.483 189 I N 3.384 123.984 120.570 0.049 0.000 2.730 189 I HA 0.815 4.988 4.170 0.006 0.000 0.298 189 I C -0.732 175.481 176.117 0.161 0.000 1.089 189 I CA 0.192 61.599 61.300 0.178 0.000 1.041 189 I CB 2.250 40.386 38.000 0.227 0.000 1.235 189 I HN 0.634 8.844 8.210 -0.000 0.000 0.423 190 S N 3.937 119.853 115.700 0.359 0.000 2.570 190 S HA 0.513 4.987 4.470 0.006 0.000 0.270 190 S C -1.311 173.600 174.600 0.519 0.000 1.149 190 S CA -0.710 57.776 58.200 0.478 0.000 0.837 190 S CB 1.233 64.614 63.200 0.302 0.000 1.124 190 S HN 0.694 9.004 8.310 -0.000 0.000 0.465 191 E N 0.632 121.142 120.200 0.516 0.000 2.390 191 E HA 0.540 4.894 4.350 0.006 0.000 0.261 191 E C 0.449 177.144 176.600 0.158 0.000 1.076 191 E CA 0.657 57.201 56.400 0.240 0.000 0.905 191 E CB 0.881 30.669 29.700 0.146 0.000 0.984 191 E HN 1.061 9.421 8.360 -0.000 0.000 0.427 192 G N 0.000 108.847 108.800 0.078 0.000 5.446 192 G HA2 0.000 3.964 3.960 0.006 0.000 0.244 192 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 192 G CA 0.000 45.132 45.100 0.053 0.000 0.502 192 G HN 0.000 8.290 8.290 -0.000 0.000 0.925