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 3llr_1_E DATA FIRST_RESID 9 DATA SEQUENCE EYEDGRGFGI GELVWGKLRG FSWWPGRIVS WWMTGRSRAA EGTRWVMWFG DATA SEQUENCE DGKFSVVCVE KLMPLSSFCS AFHQATYNKQ PMYRKAIYEV LQVASSRAGK DATA SEQUENCE LFPXXXXXXX XXXAKAVEVQ NKPMIEWALG GFQPSGPKGL EPP 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 9 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 9 E C 0.000 176.535 176.600 -0.108 0.000 1.382 9 E CA 0.000 56.318 56.400 -0.137 0.000 0.976 9 E CB 0.000 29.544 29.700 -0.260 0.000 0.812 10 Y N 1.124 121.489 120.300 0.107 0.000 3.057 10 Y HA -0.219 4.299 4.550 -0.053 0.000 0.192 10 Y C 0.361 176.306 175.900 0.076 0.000 1.448 10 Y CA 1.043 59.197 58.100 0.091 0.000 1.065 10 Y CB -1.252 37.270 38.460 0.103 0.000 1.369 10 Y HN 0.584 8.864 8.280 -0.000 0.000 0.460 11 E N -0.282 120.023 120.200 0.176 0.000 2.499 11 E HA 0.111 4.428 4.350 -0.055 0.000 0.207 11 E C 0.346 177.006 176.600 0.100 0.000 1.034 11 E CA 0.321 56.792 56.400 0.119 0.000 1.098 11 E CB 0.120 29.869 29.700 0.081 0.000 1.148 11 E HN 0.592 8.952 8.360 -0.000 0.000 0.447 12 D N 0.197 120.668 120.400 0.118 0.000 2.340 12 D HA 0.071 4.679 4.640 -0.055 0.000 0.220 12 D C 1.412 177.758 176.300 0.076 0.000 1.039 12 D CA 0.487 54.541 54.000 0.090 0.000 0.866 12 D CB 0.166 41.023 40.800 0.094 0.000 0.913 12 D HN 0.307 8.677 8.370 -0.000 0.000 0.523 13 G N 0.777 109.625 108.800 0.080 0.000 2.143 13 G HA2 -0.326 3.601 3.960 -0.055 0.000 0.248 13 G HA3 -0.326 3.601 3.960 -0.055 0.000 0.248 13 G C 1.016 175.952 174.900 0.061 0.000 0.991 13 G CA 0.150 45.287 45.100 0.061 0.000 0.689 13 G HN 0.312 8.602 8.290 -0.000 0.000 0.522 14 R N 0.216 120.766 120.500 0.084 0.000 2.334 14 R HA 0.406 4.713 4.340 -0.055 0.000 0.216 14 R C 1.730 178.098 176.300 0.113 0.000 0.905 14 R CA 1.077 57.242 56.100 0.107 0.000 1.064 14 R CB -0.233 30.148 30.300 0.134 0.000 1.046 14 R HN 1.593 9.863 8.270 -0.000 0.000 0.508 15 G N 1.260 110.094 108.800 0.057 0.000 2.498 15 G HA2 -0.313 3.614 3.960 -0.055 0.000 0.245 15 G HA3 -0.313 3.614 3.960 -0.055 0.000 0.245 15 G C -0.162 174.767 174.900 0.048 0.000 1.204 15 G CA -0.263 44.812 45.100 -0.042 0.000 0.933 15 G HN 0.251 8.541 8.290 -0.000 0.000 0.574 16 F N 0.080 120.019 119.950 -0.018 0.000 2.773 16 F HA -0.073 4.422 4.527 -0.054 0.000 0.251 16 F C 1.779 177.537 175.800 -0.070 0.000 1.020 16 F CA 1.168 59.138 58.000 -0.050 0.000 0.924 16 F CB -1.538 37.411 39.000 -0.085 0.000 0.919 16 F HN 1.370 9.670 8.300 -0.000 0.000 0.846 17 G N 0.637 109.496 108.800 0.098 0.000 2.634 17 G HA2 0.461 4.388 3.960 -0.055 0.000 0.255 17 G HA3 0.461 4.388 3.960 -0.055 0.000 0.255 17 G C 0.246 175.235 174.900 0.148 0.000 1.205 17 G CA -0.901 44.284 45.100 0.142 0.000 0.884 17 G HN 0.406 8.696 8.290 -0.000 0.000 0.549 18 I N 0.767 121.459 120.570 0.204 0.000 2.775 18 I HA 0.167 4.305 4.170 -0.055 0.000 0.290 18 I C 1.622 177.795 176.117 0.094 0.000 1.203 18 I CA 1.902 63.297 61.300 0.158 0.000 1.433 18 I CB 0.603 38.687 38.000 0.141 0.000 1.354 18 I HN 0.909 9.119 8.210 -0.000 0.000 0.579 19 G N 4.024 112.866 108.800 0.071 0.000 2.217 19 G HA2 -0.232 3.695 3.960 -0.055 0.000 0.246 19 G HA3 -0.232 3.695 3.960 -0.055 0.000 0.246 19 G C 0.144 175.084 174.900 0.066 0.000 0.990 19 G CA -0.381 44.755 45.100 0.060 0.000 0.627 19 G HN 0.649 8.939 8.290 -0.000 0.000 0.522 20 E N 0.566 120.811 120.200 0.074 0.000 2.360 20 E HA 0.455 4.773 4.350 -0.055 0.000 0.269 20 E C 0.592 177.249 176.600 0.094 0.000 1.022 20 E CA -0.312 56.135 56.400 0.078 0.000 0.887 20 E CB 0.737 30.494 29.700 0.095 0.000 0.990 20 E HN 0.380 8.740 8.360 -0.000 0.000 0.426 21 L N 4.046 125.318 121.223 0.082 0.000 2.319 21 L HA 0.280 4.588 4.340 -0.055 0.000 0.280 21 L C 0.016 176.936 176.870 0.084 0.000 1.099 21 L CA -0.536 54.359 54.840 0.091 0.000 0.828 21 L CB 0.314 42.402 42.059 0.050 0.000 1.150 21 L HN 0.321 8.551 8.230 -0.000 0.000 0.442 22 V N -0.691 119.270 119.914 0.078 0.000 3.102 22 V HA 0.572 4.659 4.120 -0.055 0.000 0.312 22 V C -1.325 174.809 176.094 0.067 0.000 1.135 22 V CA -1.050 61.330 62.300 0.133 0.000 1.022 22 V CB 1.868 33.781 31.823 0.149 0.000 1.056 22 V HN 0.664 8.854 8.190 -0.000 0.000 0.436 23 W N 0.530 121.991 121.300 0.268 0.000 2.469 23 W HA 0.801 5.428 4.660 -0.055 0.000 0.320 23 W C 0.517 177.388 176.519 0.587 0.000 1.086 23 W CA -0.156 57.429 57.345 0.400 0.000 1.211 23 W CB 2.108 31.694 29.460 0.210 0.000 1.298 23 W HN 1.040 9.220 8.180 -0.000 0.000 0.525 24 G N 2.348 111.765 108.800 1.028 0.000 2.566 24 G HA2 0.509 4.436 3.960 -0.055 0.000 0.311 24 G HA3 0.509 4.436 3.960 -0.055 0.000 0.311 24 G C -1.750 173.489 174.900 0.565 0.000 1.322 24 G CA -0.999 44.608 45.100 0.845 0.000 0.969 24 G HN 0.262 8.552 8.290 -0.000 0.000 0.490 25 K N 2.138 122.544 120.400 0.010 0.000 2.414 25 K HA 0.450 4.737 4.320 -0.055 0.000 0.251 25 K C -0.860 175.656 176.600 -0.141 0.000 1.037 25 K CA -0.647 55.367 56.287 -0.454 0.000 0.980 25 K CB 0.824 32.519 32.500 -1.342 0.000 1.280 25 K HN 0.290 8.540 8.250 -0.000 0.000 0.451 26 L N 5.802 127.014 121.223 -0.018 0.000 2.270 26 L HA 0.392 4.699 4.340 -0.055 0.000 0.286 26 L C 0.250 177.166 176.870 0.076 0.000 1.059 26 L CA 0.597 55.479 54.840 0.071 0.000 0.839 26 L CB -0.201 41.917 42.059 0.100 0.000 1.221 26 L HN 0.794 9.024 8.230 -0.000 0.000 0.431 27 R N 2.596 123.091 120.500 -0.008 0.000 3.793 27 R HA -0.290 4.017 4.340 -0.055 0.000 0.464 27 R C 1.034 177.261 176.300 -0.123 0.000 0.241 27 R CA 1.421 57.486 56.100 -0.057 0.000 1.464 27 R CB -1.800 28.475 30.300 -0.041 0.000 0.954 27 R HN 0.753 9.023 8.270 -0.000 0.000 0.583 28 G N 0.764 109.430 108.800 -0.223 0.000 2.920 28 G HA2 0.199 4.126 3.960 -0.055 0.000 0.208 28 G HA3 0.199 4.126 3.960 -0.055 0.000 0.208 28 G C 0.165 174.859 174.900 -0.344 0.000 1.159 28 G CA -0.068 44.851 45.100 -0.302 0.000 0.784 28 G HN 0.136 8.426 8.290 -0.000 0.000 0.535 29 F N 0.803 120.664 119.950 -0.148 0.000 2.403 29 F HA 0.447 4.936 4.527 -0.063 0.000 0.320 29 F C 1.244 176.977 175.800 -0.112 0.000 1.176 29 F CA -0.493 57.422 58.000 -0.141 0.000 1.206 29 F CB 0.791 39.658 39.000 -0.222 0.000 1.235 29 F HN -0.185 8.115 8.300 -0.000 0.000 0.565 30 S N -0.458 115.384 115.700 0.237 0.000 2.608 30 S HA 0.070 4.508 4.470 -0.055 0.000 0.261 30 S C -0.949 173.822 174.600 0.286 0.000 1.314 30 S CA -0.631 57.709 58.200 0.235 0.000 0.992 30 S CB 0.236 63.636 63.200 0.333 0.000 0.935 30 S HN 0.402 8.712 8.310 -0.000 0.000 0.564 31 W N 1.768 123.270 121.300 0.336 0.000 2.322 31 W HA 0.165 4.785 4.660 -0.068 0.000 0.328 31 W C 0.168 177.095 176.519 0.680 0.000 1.395 31 W CA 0.205 57.791 57.345 0.402 0.000 1.267 31 W CB 0.287 29.829 29.460 0.136 0.000 1.259 31 W HN 0.436 8.616 8.180 -0.000 0.000 0.560 32 W N 6.265 127.996 121.300 0.720 0.000 2.819 32 W HA 0.298 4.920 4.660 -0.064 0.000 0.337 32 W C -2.555 174.291 176.519 0.545 0.000 1.077 32 W CA -2.793 54.869 57.345 0.527 0.000 1.226 32 W CB 2.094 31.550 29.460 -0.006 0.000 1.419 32 W HN 0.123 8.303 8.180 -0.000 0.000 0.502 33 P HA 0.381 4.801 4.420 -0.000 0.000 0.275 33 P C -0.257 177.350 177.300 0.511 0.000 1.227 33 P CA 0.429 63.476 63.100 -0.089 0.000 0.781 33 P CB 1.300 32.746 31.700 -0.423 0.000 0.906 34 G N 1.672 110.678 108.800 0.342 0.000 2.600 34 G HA2 0.688 4.616 3.960 -0.055 0.000 0.293 34 G HA3 0.688 4.616 3.960 -0.055 0.000 0.293 34 G C -1.743 173.166 174.900 0.016 0.000 1.408 34 G CA -0.957 44.199 45.100 0.094 0.000 0.782 34 G HN 0.613 8.903 8.290 -0.000 0.000 0.482 35 R N -0.551 119.816 120.500 -0.223 0.000 2.686 35 R HA 0.634 4.941 4.340 -0.055 0.000 0.283 35 R C -0.926 175.307 176.300 -0.112 0.000 0.978 35 R CA -0.954 55.095 56.100 -0.086 0.000 0.897 35 R CB 1.770 32.053 30.300 -0.029 0.000 1.192 35 R HN 0.308 8.578 8.270 -0.000 0.000 0.457 36 I N 4.166 124.718 120.570 -0.029 0.000 2.517 36 I HA 0.073 4.210 4.170 -0.055 0.000 0.285 36 I C 0.774 176.915 176.117 0.040 0.000 1.106 36 I CA -0.153 61.144 61.300 -0.006 0.000 1.402 36 I CB 0.641 38.653 38.000 0.020 0.000 1.399 36 I HN 0.595 8.805 8.210 -0.000 0.000 0.535 37 V N 3.410 123.365 119.914 0.069 0.000 3.103 37 V HA 0.647 4.734 4.120 -0.055 0.000 0.318 37 V C 0.193 176.292 176.094 0.008 0.000 1.114 37 V CA -0.859 61.438 62.300 -0.005 0.000 1.020 37 V CB 1.760 33.553 31.823 -0.050 0.000 1.085 37 V HN 0.702 8.892 8.190 -0.000 0.000 0.446 38 S N 1.788 117.277 115.700 -0.351 0.000 2.603 38 S HA 0.204 4.642 4.470 -0.055 0.000 0.268 38 S C 0.904 175.060 174.600 -0.740 0.000 1.317 38 S CA 0.041 57.868 58.200 -0.622 0.000 1.012 38 S CB 0.579 62.972 63.200 -1.345 0.000 0.926 38 S HN 1.105 9.415 8.310 -0.000 0.000 0.539 39 W N 4.418 125.345 121.300 -0.621 0.000 2.402 39 W HA -0.058 4.569 4.660 -0.056 0.000 0.286 39 W C 1.479 177.593 176.519 -0.675 0.000 1.221 39 W CA 0.775 57.711 57.345 -0.682 0.000 1.257 39 W CB -1.076 28.257 29.460 -0.211 0.000 1.120 39 W HN 0.907 9.087 8.180 -0.000 0.000 0.551 40 W N 2.114 122.599 121.300 -1.359 0.000 2.937 40 W HA 0.078 4.707 4.660 -0.053 0.000 0.245 40 W C 1.936 178.005 176.519 -0.750 0.000 1.306 40 W CA 0.948 57.498 57.345 -1.325 0.000 1.470 40 W CB -1.472 27.131 29.460 -1.429 0.000 1.132 40 W HN 0.060 8.240 8.180 -0.000 0.000 0.675 41 M N 1.366 120.529 119.600 -0.728 0.000 2.509 41 M HA 0.104 4.551 4.480 -0.055 0.000 0.250 41 M C 1.793 177.591 176.300 -0.837 0.000 1.132 41 M CA 1.833 56.808 55.300 -0.542 0.000 1.080 41 M CB -0.632 31.666 32.600 -0.504 0.000 1.408 41 M HN -0.137 8.153 8.290 -0.000 0.000 0.484 42 T N -3.040 110.807 114.554 -1.179 0.000 3.043 42 T HA 0.345 4.662 4.350 -0.055 0.000 0.263 42 T C 1.780 175.985 174.700 -0.824 0.000 1.094 42 T CA 0.920 62.027 62.100 -1.655 0.000 1.127 42 T CB -0.362 67.395 68.868 -1.851 0.000 0.905 42 T HN 0.791 9.031 8.240 -0.000 0.000 0.490 43 G N 1.705 110.194 108.800 -0.519 0.000 2.176 43 G HA2 -0.241 3.686 3.960 -0.055 0.000 0.253 43 G HA3 -0.241 3.686 3.960 -0.055 0.000 0.253 43 G C 0.557 175.375 174.900 -0.136 0.000 0.979 43 G CA 0.285 45.240 45.100 -0.241 0.000 0.641 43 G HN 0.684 8.973 8.290 -0.000 0.000 0.530 44 R N 0.442 120.812 120.500 -0.215 0.000 2.745 44 R HA 0.777 5.084 4.340 -0.055 0.000 0.214 44 R C 0.908 177.320 176.300 0.188 0.000 1.456 44 R CA 0.276 56.367 56.100 -0.015 0.000 0.974 44 R CB -0.442 29.860 30.300 0.003 0.000 2.210 44 R HN 0.670 8.940 8.270 -0.000 0.000 0.520 45 S N -0.320 115.549 115.700 0.282 0.000 2.739 45 S HA 0.493 4.931 4.470 -0.055 0.000 0.306 45 S C 0.062 174.812 174.600 0.250 0.000 1.115 45 S CA -0.897 57.423 58.200 0.199 0.000 0.985 45 S CB 1.608 64.849 63.200 0.068 0.000 1.133 45 S HN 0.358 8.668 8.310 -0.000 0.000 0.541 46 R N 0.294 120.605 120.500 -0.316 0.000 2.640 46 R HA 0.372 4.680 4.340 -0.055 0.000 0.270 46 R C 0.312 176.687 176.300 0.126 0.000 1.024 46 R CA 0.434 56.355 56.100 -0.298 0.000 1.085 46 R CB 0.066 29.955 30.300 -0.684 0.000 0.963 46 R HN 0.827 9.097 8.270 -0.000 0.000 0.426 47 A N 2.684 125.654 122.820 0.250 0.000 2.409 47 A HA 0.464 4.752 4.320 -0.055 0.000 0.262 47 A C 0.125 177.726 177.584 0.027 0.000 1.113 47 A CA -0.209 51.858 52.037 0.049 0.000 0.790 47 A CB 0.626 19.676 19.000 0.082 0.000 1.046 47 A HN 0.835 8.985 8.150 -0.000 0.000 0.496 48 A N 1.858 124.659 122.820 -0.032 0.000 2.386 48 A HA 0.415 4.702 4.320 -0.055 0.000 0.246 48 A C 0.788 178.381 177.584 0.014 0.000 1.089 48 A CA -0.287 51.740 52.037 -0.018 0.000 0.790 48 A CB 0.037 19.016 19.000 -0.036 0.000 1.042 48 A HN 0.917 9.067 8.150 -0.000 0.000 0.497 49 E N 0.233 120.445 120.200 0.019 0.000 2.608 49 E HA 0.130 4.447 4.350 -0.055 0.000 0.259 49 E C 1.081 177.695 176.600 0.025 0.000 0.951 49 E CA 1.500 57.922 56.400 0.037 0.000 0.945 49 E CB -0.071 29.645 29.700 0.026 0.000 0.916 49 E HN 1.724 10.084 8.360 -0.000 0.000 0.477 50 G N 3.330 112.154 108.800 0.040 0.000 2.143 50 G HA2 -0.258 3.669 3.960 -0.055 0.000 0.248 50 G HA3 -0.258 3.669 3.960 -0.055 0.000 0.248 50 G C 0.243 175.131 174.900 -0.020 0.000 0.991 50 G CA 0.814 45.927 45.100 0.021 0.000 0.689 50 G HN 0.956 9.246 8.290 -0.000 0.000 0.522 51 T N -2.740 111.793 114.554 -0.036 0.000 2.906 51 T HA 0.829 5.146 4.350 -0.055 0.000 0.295 51 T C -0.621 173.984 174.700 -0.159 0.000 1.075 51 T CA -0.995 61.037 62.100 -0.113 0.000 1.005 51 T CB 2.777 71.560 68.868 -0.142 0.000 1.136 51 T HN 0.348 8.588 8.240 -0.000 0.000 0.498 52 R N 0.631 120.973 120.500 -0.264 0.000 2.744 52 R HA 0.307 4.614 4.340 -0.055 0.000 0.279 52 R C -1.460 174.703 176.300 -0.228 0.000 0.977 52 R CA -0.590 55.300 56.100 -0.351 0.000 0.906 52 R CB 1.741 31.757 30.300 -0.473 0.000 1.197 52 R HN 0.794 9.064 8.270 -0.000 0.000 0.463 53 W N 2.070 123.380 121.300 0.017 0.000 2.345 53 W HA 0.296 4.922 4.660 -0.055 0.000 0.308 53 W C 0.522 176.974 176.519 -0.110 0.000 1.273 53 W CA -0.303 57.049 57.345 0.011 0.000 1.243 53 W CB 1.072 30.586 29.460 0.090 0.000 1.260 53 W HN 0.155 8.335 8.180 -0.000 0.000 0.509 54 V N 6.943 126.861 119.914 0.007 0.000 2.540 54 V HA 0.540 4.627 4.120 -0.055 0.000 0.302 54 V C -0.579 175.264 176.094 -0.417 0.000 1.035 54 V CA -1.315 60.797 62.300 -0.313 0.000 0.873 54 V CB 1.631 33.055 31.823 -0.664 0.000 0.992 54 V HN 0.559 8.749 8.190 -0.000 0.000 0.428 55 M N 7.456 126.842 119.600 -0.357 0.000 2.084 55 M HA 0.450 4.897 4.480 -0.055 0.000 0.351 55 M C -1.239 174.688 176.300 -0.621 0.000 1.240 55 M CA -0.389 54.597 55.300 -0.523 0.000 1.083 55 M CB 0.579 32.935 32.600 -0.406 0.000 1.593 55 M HN 0.826 9.116 8.290 -0.000 0.000 0.463 56 W N 4.675 125.808 121.300 -0.278 0.000 2.218 56 W HA 0.335 4.968 4.660 -0.046 0.000 0.326 56 W C -0.556 175.866 176.519 -0.162 0.000 1.276 56 W CA -0.454 56.817 57.345 -0.123 0.000 1.210 56 W CB 0.189 29.585 29.460 -0.105 0.000 1.143 56 W HN 0.473 8.653 8.180 -0.000 0.000 0.563 57 F N 1.375 121.567 119.950 0.404 0.000 2.403 57 F HA 0.473 4.966 4.527 -0.057 0.000 0.320 57 F C 1.542 177.592 175.800 0.418 0.000 1.176 57 F CA 1.404 59.565 58.000 0.268 0.000 1.206 57 F CB 0.752 39.829 39.000 0.128 0.000 1.235 57 F HN 0.685 8.985 8.300 -0.000 0.000 0.565 58 G N 1.436 110.525 108.800 0.482 0.000 4.391 58 G HA2 -0.336 3.591 3.960 -0.055 0.000 0.210 58 G HA3 -0.336 3.591 3.960 -0.055 0.000 0.210 58 G C 0.514 175.556 174.900 0.237 0.000 1.547 58 G CA 0.350 45.685 45.100 0.391 0.000 1.103 58 G HN 0.752 9.042 8.290 -0.000 0.000 0.637 59 D N 0.493 120.996 120.400 0.173 0.000 2.500 59 D HA 0.433 5.041 4.640 -0.055 0.000 0.217 59 D C 1.738 178.028 176.300 -0.016 0.000 1.159 59 D CA 1.290 55.322 54.000 0.053 0.000 0.828 59 D CB -0.133 40.663 40.800 -0.007 0.000 1.039 59 D HN 1.957 10.327 8.370 -0.000 0.000 0.512 60 G N 0.798 109.576 108.800 -0.036 0.000 2.155 60 G HA2 -0.344 3.584 3.960 -0.055 0.000 0.257 60 G HA3 -0.344 3.584 3.960 -0.055 0.000 0.257 60 G C 0.168 174.805 174.900 -0.439 0.000 0.983 60 G CA 0.326 45.291 45.100 -0.225 0.000 0.676 60 G HN 0.446 8.736 8.290 -0.000 0.000 0.528 61 K N -0.722 119.547 120.400 -0.218 0.000 2.319 61 K HA 0.466 4.754 4.320 -0.055 0.000 0.265 61 K C -0.083 176.354 176.600 -0.272 0.000 1.000 61 K CA 0.110 56.294 56.287 -0.171 0.000 0.943 61 K CB 0.368 32.888 32.500 0.034 0.000 0.950 61 K HN 0.143 8.393 8.250 -0.000 0.000 0.485 62 F N 0.208 120.241 119.950 0.138 0.000 2.443 62 F HA 0.298 4.793 4.527 -0.052 0.000 0.335 62 F C 0.305 176.325 175.800 0.368 0.000 1.104 62 F CA -0.511 57.583 58.000 0.157 0.000 1.013 62 F CB 1.943 40.992 39.000 0.081 0.000 1.136 62 F HN 0.294 8.594 8.300 -0.000 0.000 0.470 63 S N 1.141 117.140 115.700 0.498 0.000 2.536 63 S HA 0.485 4.922 4.470 -0.055 0.000 0.271 63 S C -1.062 173.490 174.600 -0.080 0.000 1.134 63 S CA -0.829 57.566 58.200 0.325 0.000 0.897 63 S CB 2.046 65.546 63.200 0.500 0.000 1.094 63 S HN 0.273 8.583 8.310 -0.000 0.000 0.473 64 V N 2.864 122.488 119.914 -0.483 0.000 2.488 64 V HA 0.426 4.514 4.120 -0.055 0.000 0.277 64 V C -0.382 175.551 176.094 -0.268 0.000 1.046 64 V CA -0.115 61.783 62.300 -0.670 0.000 0.986 64 V CB 0.949 32.296 31.823 -0.792 0.000 0.989 64 V HN 0.672 8.862 8.190 -0.000 0.000 0.475 65 V N 4.464 124.239 119.914 -0.231 0.000 2.638 65 V HA 0.341 4.428 4.120 -0.055 0.000 0.306 65 V C 0.142 176.149 176.094 -0.144 0.000 1.052 65 V CA -0.874 61.358 62.300 -0.112 0.000 0.885 65 V CB 1.940 33.743 31.823 -0.034 0.000 0.999 65 V HN 1.123 9.313 8.190 -0.000 0.000 0.424 66 C N 3.963 123.205 119.300 -0.097 0.000 2.652 66 C HA 0.430 4.858 4.460 -0.055 0.000 0.412 66 C C 2.102 177.032 174.990 -0.100 0.000 1.294 66 C CA 0.206 59.172 59.018 -0.086 0.000 2.127 66 C CB 0.247 27.959 27.740 -0.048 0.000 2.691 66 C HN 1.038 9.268 8.230 -0.000 0.000 0.615 67 V N -0.044 119.814 119.914 -0.093 0.000 2.594 67 V HA -0.113 3.974 4.120 -0.055 0.000 0.253 67 V C 2.144 178.224 176.094 -0.023 0.000 1.069 67 V CA 2.136 64.364 62.300 -0.121 0.000 1.082 67 V CB -1.209 30.639 31.823 0.042 0.000 0.680 67 V HN 0.947 9.137 8.190 -0.000 0.000 0.469 68 E N 0.632 120.850 120.200 0.031 0.000 2.204 68 E HA -0.069 4.248 4.350 -0.055 0.000 0.195 68 E C 1.653 178.325 176.600 0.121 0.000 0.990 68 E CA 0.897 57.347 56.400 0.083 0.000 0.821 68 E CB -0.150 29.587 29.700 0.061 0.000 0.750 68 E HN 0.510 8.870 8.360 -0.000 0.000 0.477 69 K N 0.078 120.519 120.400 0.068 0.000 2.493 69 K HA 0.253 4.540 4.320 -0.055 0.000 0.207 69 K C -0.377 176.357 176.600 0.224 0.000 1.033 69 K CA 0.023 56.367 56.287 0.095 0.000 1.161 69 K CB 0.456 32.936 32.500 -0.035 0.000 0.873 69 K HN 0.116 8.366 8.250 -0.000 0.000 0.491 70 L N 0.780 122.077 121.223 0.123 0.000 2.365 70 L HA 0.542 4.850 4.340 -0.055 0.000 0.273 70 L C -0.313 176.626 176.870 0.115 0.000 1.000 70 L CA -0.570 54.250 54.840 -0.033 0.000 0.819 70 L CB 1.836 43.386 42.059 -0.847 0.000 1.284 70 L HN -0.134 8.096 8.230 -0.000 0.000 0.418 71 M N 3.644 123.418 119.600 0.290 0.000 2.572 71 M HA 0.493 4.940 4.480 -0.055 0.000 0.299 71 M C -2.579 174.028 176.300 0.511 0.000 1.205 71 M CA -1.802 53.716 55.300 0.363 0.000 0.876 71 M CB 2.900 35.515 32.600 0.026 0.000 1.728 71 M HN 0.217 8.507 8.290 -0.000 0.000 0.458 72 P HA 0.004 4.424 4.420 -0.000 0.000 0.270 72 P C 0.478 177.980 177.300 0.337 0.000 1.223 72 P CA -0.298 62.993 63.100 0.320 0.000 0.785 72 P CB 0.761 32.535 31.700 0.123 0.000 0.923 73 L N 2.945 124.292 121.223 0.206 0.000 2.081 73 L HA -0.226 4.081 4.340 -0.055 0.000 0.212 73 L C 2.408 179.499 176.870 0.369 0.000 1.080 73 L CA 2.625 57.597 54.840 0.219 0.000 0.754 73 L CB -1.518 40.530 42.059 -0.017 0.000 0.893 73 L HN 0.478 8.708 8.230 -0.000 0.000 0.433 74 S N -2.386 113.362 115.700 0.081 0.000 2.440 74 S HA -0.139 4.298 4.470 -0.055 0.000 0.238 74 S C 1.621 176.384 174.600 0.273 0.000 1.010 74 S CA 1.181 59.431 58.200 0.085 0.000 0.972 74 S CB -0.892 62.259 63.200 -0.080 0.000 0.774 74 S HN 0.465 8.775 8.310 -0.000 0.000 0.501 75 S N 1.390 117.232 115.700 0.237 0.000 2.871 75 S HA 0.312 4.749 4.470 -0.055 0.000 0.254 75 S C 0.516 175.119 174.600 0.006 0.000 1.088 75 S CA -0.486 57.765 58.200 0.084 0.000 1.166 75 S CB -0.901 62.278 63.200 -0.035 0.000 0.826 75 S HN 0.554 8.864 8.310 -0.000 0.000 0.471 76 F N 1.366 121.391 119.950 0.124 0.000 2.065 76 F HA -0.282 4.216 4.527 -0.049 0.000 0.298 76 F C 2.338 178.031 175.800 -0.178 0.000 1.112 76 F CA 1.568 59.634 58.000 0.111 0.000 1.212 76 F CB -0.410 38.722 39.000 0.219 0.000 0.975 76 F HN 0.328 8.628 8.300 -0.000 0.000 0.476 77 C N -0.447 118.902 119.300 0.081 0.000 2.419 77 C HA -0.129 4.298 4.460 -0.055 0.000 0.281 77 C C 2.849 177.734 174.990 -0.175 0.000 1.336 77 C CA 1.405 60.416 59.018 -0.011 0.000 1.770 77 C CB -1.484 26.269 27.740 0.021 0.000 1.929 77 C HN 0.499 8.729 8.230 -0.000 0.000 0.509 78 S N 0.417 115.946 115.700 -0.284 0.000 2.461 78 S HA 0.111 4.548 4.470 -0.055 0.000 0.228 78 S C 1.859 176.082 174.600 -0.629 0.000 1.005 78 S CA 1.023 59.010 58.200 -0.355 0.000 0.942 78 S CB -0.067 62.935 63.200 -0.330 0.000 0.776 78 S HN 0.753 9.063 8.310 -0.000 0.000 0.514 79 A N 0.370 122.591 122.820 -0.998 0.000 2.070 79 A HA 0.431 4.719 4.320 -0.055 0.000 0.202 79 A C 0.422 177.156 177.584 -1.417 0.000 1.277 79 A CA -0.387 50.779 52.037 -1.452 0.000 0.872 79 A CB -0.226 17.427 19.000 -2.245 0.000 0.933 79 A HN 0.384 8.534 8.150 -0.000 0.000 0.475 80 F N 2.344 121.471 119.950 -1.373 0.000 2.543 80 F HA 0.342 4.859 4.527 -0.017 0.000 0.375 80 F C -0.009 175.449 175.800 -0.570 0.000 1.075 80 F CA 0.267 57.732 58.000 -0.891 0.000 1.225 80 F CB 0.106 38.578 39.000 -0.880 0.000 1.099 80 F HN 0.298 8.598 8.300 -0.000 0.000 0.561 81 H N 4.854 123.487 119.070 -0.728 0.000 2.646 81 H HA 0.161 4.690 4.556 -0.044 0.000 0.328 81 H C 0.567 175.461 175.328 -0.724 0.000 0.998 81 H CA -0.676 55.044 56.048 -0.547 0.000 1.225 81 H CB 1.732 31.295 29.762 -0.331 0.000 1.457 81 H HN 0.628 8.908 8.280 -0.000 0.000 0.505 82 Q N 3.198 122.803 119.800 -0.326 0.000 2.124 82 Q HA -0.113 4.194 4.340 -0.055 0.000 0.202 82 Q C 1.983 177.965 176.000 -0.030 0.000 0.977 82 Q CA 1.845 57.566 55.803 -0.136 0.000 0.850 82 Q CB -0.031 28.743 28.738 0.060 0.000 0.901 82 Q HN 0.830 9.100 8.270 -0.000 0.000 0.429 83 A N -0.673 122.108 122.820 -0.065 0.000 1.858 83 A HA -0.207 4.081 4.320 -0.055 0.000 0.216 83 A C 2.292 179.818 177.584 -0.096 0.000 1.190 83 A CA 2.124 54.126 52.037 -0.057 0.000 0.617 83 A CB -1.229 17.724 19.000 -0.079 0.000 0.827 83 A HN 0.506 8.656 8.150 -0.000 0.000 0.443 84 T N -1.443 112.984 114.554 -0.210 0.000 2.720 84 T HA -0.232 4.085 4.350 -0.055 0.000 0.268 84 T C 1.776 176.276 174.700 -0.334 0.000 1.037 84 T CA 1.772 63.658 62.100 -0.357 0.000 1.144 84 T CB -0.532 67.932 68.868 -0.674 0.000 0.864 84 T HN 0.538 8.778 8.240 -0.000 0.000 0.444 85 Y N 2.767 122.844 120.300 -0.371 0.000 2.128 85 Y HA -0.216 4.288 4.550 -0.077 0.000 0.284 85 Y C 2.262 178.197 175.900 0.058 0.000 1.154 85 Y CA 1.508 59.623 58.100 0.025 0.000 1.149 85 Y CB -0.390 38.136 38.460 0.111 0.000 0.976 85 Y HN 0.122 8.402 8.280 -0.000 0.000 0.505 86 N N 0.195 119.000 118.700 0.174 0.000 2.381 86 N HA -0.122 4.585 4.740 -0.055 0.000 0.182 86 N C 1.396 176.913 175.510 0.010 0.000 1.025 86 N CA 1.448 54.563 53.050 0.109 0.000 0.888 86 N CB -0.153 38.407 38.487 0.121 0.000 0.965 86 N HN 0.500 8.880 8.380 -0.000 0.000 0.438 87 K N 0.107 120.496 120.400 -0.017 0.000 2.276 87 K HA 0.153 4.440 4.320 -0.055 0.000 0.198 87 K C 0.203 176.796 176.600 -0.011 0.000 1.052 87 K CA 0.328 56.605 56.287 -0.017 0.000 0.984 87 K CB 0.412 32.900 32.500 -0.021 0.000 0.836 87 K HN 0.161 8.411 8.250 -0.000 0.000 0.490 88 Q N 0.844 120.637 119.800 -0.011 0.000 2.372 88 Q HA 0.154 4.462 4.340 -0.055 0.000 0.259 88 Q C -2.261 173.766 176.000 0.046 0.000 0.993 88 Q CA -1.997 53.841 55.803 0.057 0.000 0.854 88 Q CB 1.716 30.544 28.738 0.149 0.000 1.231 88 Q HN -0.087 8.183 8.270 -0.000 0.000 0.462 89 P HA -0.168 4.252 4.420 -0.000 0.000 0.218 89 P C 1.095 178.433 177.300 0.063 0.000 1.149 89 P CA 0.970 64.074 63.100 0.007 0.000 0.817 89 P CB 0.260 31.966 31.700 0.011 0.000 0.785 90 M N -1.956 117.743 119.600 0.165 0.000 2.175 90 M HA -0.153 4.294 4.480 -0.055 0.000 0.264 90 M C 2.028 178.520 176.300 0.321 0.000 1.063 90 M CA 1.661 57.127 55.300 0.277 0.000 1.119 90 M CB -1.255 31.559 32.600 0.357 0.000 1.377 90 M HN -0.142 8.148 8.290 -0.000 0.000 0.415 91 Y N 0.315 120.676 120.300 0.100 0.000 2.200 91 Y HA -0.155 4.389 4.550 -0.010 0.000 0.290 91 Y C 2.182 177.977 175.900 -0.176 0.000 1.137 91 Y CA 1.879 59.804 58.100 -0.291 0.000 1.163 91 Y CB -0.140 38.170 38.460 -0.250 0.000 0.988 91 Y HN 0.180 8.460 8.280 -0.000 0.000 0.518 92 R N 0.216 120.676 120.500 -0.066 0.000 2.091 92 R HA -0.196 4.111 4.340 -0.055 0.000 0.238 92 R C 2.332 178.627 176.300 -0.008 0.000 1.136 92 R CA 1.770 57.772 56.100 -0.163 0.000 0.959 92 R CB -0.355 29.703 30.300 -0.403 0.000 0.856 92 R HN 0.289 8.559 8.270 -0.000 0.000 0.437 93 K N 0.811 121.210 120.400 -0.001 0.000 2.026 93 K HA -0.123 4.165 4.320 -0.055 0.000 0.208 93 K C 2.139 178.799 176.600 0.100 0.000 1.048 93 K CA 1.408 57.730 56.287 0.060 0.000 0.929 93 K CB -0.122 32.425 32.500 0.077 0.000 0.713 93 K HN 0.158 8.408 8.250 -0.000 0.000 0.439 94 A N 1.428 124.264 122.820 0.025 0.000 1.908 94 A HA -0.162 4.125 4.320 -0.055 0.000 0.218 94 A C 2.029 179.506 177.584 -0.178 0.000 1.181 94 A CA 1.383 53.403 52.037 -0.029 0.000 0.627 94 A CB -0.517 18.326 19.000 -0.262 0.000 0.818 94 A HN 0.294 8.444 8.150 -0.000 0.000 0.445 95 I N -1.783 118.669 120.570 -0.196 0.000 2.202 95 I HA -0.212 3.926 4.170 -0.055 0.000 0.242 95 I C 2.372 178.501 176.117 0.019 0.000 1.091 95 I CA 1.524 62.791 61.300 -0.055 0.000 1.368 95 I CB -1.527 36.588 38.000 0.192 0.000 1.058 95 I HN 0.540 8.750 8.210 -0.000 0.000 0.410 96 Y N 2.253 122.527 120.300 -0.043 0.000 2.053 96 Y HA -0.310 4.206 4.550 -0.057 0.000 0.277 96 Y C 2.631 178.451 175.900 -0.133 0.000 1.159 96 Y CA 2.247 60.313 58.100 -0.057 0.000 1.125 96 Y CB -0.328 38.118 38.460 -0.024 0.000 0.969 96 Y HN 0.251 8.531 8.280 -0.000 0.000 0.492 97 E N -0.964 119.195 120.200 -0.069 0.000 2.051 97 E HA -0.231 4.086 4.350 -0.055 0.000 0.192 97 E C 2.296 178.491 176.600 -0.675 0.000 0.991 97 E CA 1.592 57.819 56.400 -0.288 0.000 0.799 97 E CB -0.542 29.093 29.700 -0.109 0.000 0.748 97 E HN 0.390 8.750 8.360 -0.000 0.000 0.449 98 V N 1.121 120.524 119.914 -0.852 0.000 2.515 98 V HA -0.182 3.905 4.120 -0.055 0.000 0.250 98 V C 1.915 177.804 176.094 -0.342 0.000 1.058 98 V CA 1.369 63.148 62.300 -0.869 0.000 1.064 98 V CB -0.130 31.298 31.823 -0.657 0.000 0.675 98 V HN 0.246 8.436 8.190 -0.000 0.000 0.461 99 L N -0.882 120.217 121.223 -0.205 0.000 2.240 99 L HA -0.061 4.246 4.340 -0.055 0.000 0.211 99 L C 2.706 179.534 176.870 -0.069 0.000 1.106 99 L CA 0.749 55.580 54.840 -0.014 0.000 0.793 99 L CB -0.559 41.504 42.059 0.007 0.000 0.927 99 L HN 0.301 8.531 8.230 -0.000 0.000 0.446 100 Q N -0.043 119.600 119.800 -0.261 0.000 2.050 100 Q HA -0.154 4.153 4.340 -0.055 0.000 0.202 100 Q C 2.425 178.347 176.000 -0.129 0.000 0.980 100 Q CA 1.438 57.086 55.803 -0.258 0.000 0.840 100 Q CB -0.450 28.054 28.738 -0.391 0.000 0.898 100 Q HN 0.363 8.633 8.270 -0.000 0.000 0.424 101 V N 1.217 121.046 119.914 -0.143 0.000 2.343 101 V HA -0.245 3.842 4.120 -0.055 0.000 0.247 101 V C 2.415 178.514 176.094 0.009 0.000 1.051 101 V CA 1.752 64.016 62.300 -0.060 0.000 1.036 101 V CB -1.112 30.674 31.823 -0.061 0.000 0.654 101 V HN 0.324 8.514 8.190 -0.000 0.000 0.451 102 A N 0.905 123.753 122.820 0.047 0.000 1.877 102 A HA -0.202 4.085 4.320 -0.055 0.000 0.216 102 A C 2.533 180.298 177.584 0.302 0.000 1.186 102 A CA 2.309 54.453 52.037 0.179 0.000 0.620 102 A CB -0.787 18.365 19.000 0.253 0.000 0.822 102 A HN 0.679 8.829 8.150 -0.000 0.000 0.443 103 S N -0.741 115.094 115.700 0.224 0.000 2.423 103 S HA -0.115 4.322 4.470 -0.055 0.000 0.231 103 S C 2.072 176.629 174.600 -0.071 0.000 1.014 103 S CA 1.458 59.615 58.200 -0.072 0.000 0.965 103 S CB -0.610 62.501 63.200 -0.148 0.000 0.785 103 S HN 0.559 8.869 8.310 -0.000 0.000 0.495 104 S N 2.012 117.700 115.700 -0.018 0.000 2.368 104 S HA -0.052 4.385 4.470 -0.055 0.000 0.224 104 S C 2.116 176.714 174.600 -0.004 0.000 1.029 104 S CA 0.826 59.010 58.200 -0.025 0.000 0.988 104 S CB -0.342 62.847 63.200 -0.017 0.000 0.838 104 S HN 0.614 8.924 8.310 -0.000 0.000 0.462 105 R N 0.645 121.162 120.500 0.028 0.000 2.075 105 R HA 0.068 4.375 4.340 -0.055 0.000 0.232 105 R C 2.516 178.840 176.300 0.041 0.000 1.126 105 R CA 1.322 57.442 56.100 0.035 0.000 0.963 105 R CB -0.503 29.823 30.300 0.043 0.000 0.858 105 R HN 0.480 8.750 8.270 -0.000 0.000 0.435 106 A N 0.250 123.119 122.820 0.081 0.000 2.167 106 A HA 0.133 4.421 4.320 -0.055 0.000 0.214 106 A C 1.464 179.054 177.584 0.010 0.000 1.151 106 A CA 0.812 52.912 52.037 0.106 0.000 0.735 106 A CB -0.332 18.862 19.000 0.323 0.000 0.802 106 A HN 0.468 8.618 8.150 -0.000 0.000 0.467 107 G N -0.503 108.267 108.800 -0.049 0.000 2.249 107 G HA2 -0.295 3.632 3.960 -0.055 0.000 0.273 107 G HA3 -0.295 3.632 3.960 -0.055 0.000 0.273 107 G C 0.139 174.919 174.900 -0.199 0.000 1.036 107 G CA 0.696 45.736 45.100 -0.100 0.000 0.824 107 G HN 0.721 9.011 8.290 -0.000 0.000 0.504 108 K N 0.440 120.642 120.400 -0.329 0.000 2.284 108 K HA 0.608 4.895 4.320 -0.055 0.000 0.287 108 K C 0.498 176.644 176.600 -0.756 0.000 1.081 108 K CA -0.597 55.297 56.287 -0.654 0.000 0.910 108 K CB 0.166 31.961 32.500 -1.174 0.000 1.088 108 K HN 0.250 8.500 8.250 -0.000 0.000 0.478 109 L N 5.614 126.444 121.223 -0.655 0.000 2.292 109 L HA 0.452 4.760 4.340 -0.055 0.000 0.284 109 L C -0.532 175.931 176.870 -0.679 0.000 1.065 109 L CA -0.685 53.860 54.840 -0.492 0.000 0.806 109 L CB 0.595 42.490 42.059 -0.272 0.000 1.175 109 L HN 0.538 8.768 8.230 -0.000 0.000 0.431 110 F N 2.558 122.389 119.950 -0.197 0.000 2.458 110 F HA 0.500 4.996 4.527 -0.052 0.000 0.336 110 F C -1.057 174.683 175.800 -0.101 0.000 1.114 110 F CA -1.663 56.241 58.000 -0.161 0.000 0.987 110 F CB 0.838 39.736 39.000 -0.171 0.000 1.130 110 F HN 0.418 8.718 8.300 -0.000 0.000 0.458 123 K N 0.982 121.355 120.400 -0.044 0.000 2.057 123 K HA 0.167 4.454 4.320 -0.055 0.000 0.206 123 K C 2.146 178.731 176.600 -0.025 0.000 1.050 123 K CA 1.364 57.638 56.287 -0.021 0.000 0.935 123 K CB -0.205 32.289 32.500 -0.010 0.000 0.715 123 K HN 0.497 8.747 8.250 -0.000 0.000 0.439 124 A N 0.843 123.633 122.820 -0.050 0.000 1.933 124 A HA -0.117 4.171 4.320 -0.055 0.000 0.218 124 A C 2.330 179.860 177.584 -0.091 0.000 1.175 124 A CA 1.335 53.341 52.037 -0.053 0.000 0.628 124 A CB -0.654 18.310 19.000 -0.060 0.000 0.814 124 A HN 0.066 8.216 8.150 -0.000 0.000 0.444 125 V N 0.100 119.893 119.914 -0.203 0.000 2.295 125 V HA -0.284 3.804 4.120 -0.055 0.000 0.246 125 V C 2.423 178.513 176.094 -0.007 0.000 1.049 125 V CA 2.337 64.457 62.300 -0.300 0.000 1.024 125 V CB -0.822 30.774 31.823 -0.379 0.000 0.648 125 V HN 0.638 8.828 8.190 -0.000 0.000 0.447 126 E N -0.345 119.871 120.200 0.025 0.000 2.077 126 E HA -0.176 4.142 4.350 -0.055 0.000 0.193 126 E C 2.244 178.918 176.600 0.123 0.000 0.989 126 E CA 1.482 57.961 56.400 0.131 0.000 0.800 126 E CB -0.166 29.594 29.700 0.101 0.000 0.746 126 E HN 0.454 8.814 8.360 -0.000 0.000 0.452 127 V N 1.107 121.062 119.914 0.068 0.000 2.270 127 V HA -0.264 3.823 4.120 -0.055 0.000 0.245 127 V C 2.162 178.285 176.094 0.048 0.000 1.043 127 V CA 1.830 64.162 62.300 0.053 0.000 1.014 127 V CB -0.413 31.431 31.823 0.035 0.000 0.645 127 V HN 0.231 8.421 8.190 -0.000 0.000 0.447 128 Q N -0.257 119.584 119.800 0.068 0.000 2.224 128 Q HA -0.162 4.146 4.340 -0.055 0.000 0.203 128 Q C 2.056 178.055 176.000 -0.003 0.000 0.970 128 Q CA 1.471 57.308 55.803 0.056 0.000 0.865 128 Q CB -0.282 28.565 28.738 0.181 0.000 0.922 128 Q HN 0.710 8.980 8.270 -0.000 0.000 0.445 129 N N 0.388 119.147 118.700 0.097 0.000 2.120 129 N HA -0.151 4.557 4.740 -0.055 0.000 0.188 129 N C 1.435 176.912 175.510 -0.056 0.000 1.024 129 N CA 0.774 53.867 53.050 0.072 0.000 0.852 129 N CB 0.117 38.759 38.487 0.258 0.000 1.003 129 N HN 0.144 8.524 8.380 -0.000 0.000 0.424 130 K N 0.425 120.809 120.400 -0.028 0.000 2.020 130 K HA -0.148 4.140 4.320 -0.055 0.000 0.212 130 K C -0.893 175.646 176.600 -0.101 0.000 1.050 130 K CA 1.490 57.742 56.287 -0.058 0.000 0.929 130 K CB -0.915 31.578 32.500 -0.011 0.000 0.714 130 K HN 0.229 8.479 8.250 -0.000 0.000 0.443 131 P HA -0.112 4.308 4.420 -0.000 0.000 0.217 131 P C 1.314 178.486 177.300 -0.214 0.000 1.150 131 P CA 1.408 64.447 63.100 -0.101 0.000 0.832 131 P CB 0.026 31.679 31.700 -0.079 0.000 0.787 132 M N -1.736 117.543 119.600 -0.535 0.000 2.200 132 M HA -0.080 4.367 4.480 -0.055 0.000 0.265 132 M C 2.091 178.280 176.300 -0.184 0.000 1.066 132 M CA 1.614 56.620 55.300 -0.490 0.000 1.127 132 M CB -0.729 31.536 32.600 -0.559 0.000 1.379 132 M HN -0.096 8.194 8.290 -0.000 0.000 0.420 133 I N 0.198 120.612 120.570 -0.260 0.000 2.226 133 I HA -0.271 3.867 4.170 -0.055 0.000 0.245 133 I C 2.229 178.099 176.117 -0.411 0.000 1.100 133 I CA 1.411 62.470 61.300 -0.402 0.000 1.374 133 I CB -0.391 37.397 38.000 -0.354 0.000 1.057 133 I HN 0.327 8.537 8.210 -0.000 0.000 0.413 134 E N -0.180 119.892 120.200 -0.214 0.000 2.110 134 E HA -0.282 4.035 4.350 -0.055 0.000 0.193 134 E C 1.878 178.396 176.600 -0.136 0.000 0.988 134 E CA 1.485 57.797 56.400 -0.146 0.000 0.804 134 E CB -0.222 29.452 29.700 -0.044 0.000 0.745 134 E HN 0.564 8.924 8.360 -0.000 0.000 0.458 135 W N 1.598 122.746 121.300 -0.252 0.000 2.355 135 W HA -0.179 4.448 4.660 -0.056 0.000 0.309 135 W C 2.299 178.428 176.519 -0.650 0.000 1.206 135 W CA 1.998 59.192 57.345 -0.251 0.000 1.284 135 W CB -0.574 28.918 29.460 0.053 0.000 1.145 135 W HN 0.003 8.183 8.180 -0.000 0.000 0.502 136 A N 0.578 122.704 122.820 -1.156 0.000 1.865 136 A HA -0.200 4.087 4.320 -0.055 0.000 0.217 136 A C 2.171 178.896 177.584 -1.431 0.000 1.191 136 A CA 2.126 52.851 52.037 -2.187 0.000 0.623 136 A CB -1.231 16.335 19.000 -2.390 0.000 0.826 136 A HN 0.386 8.536 8.150 -0.000 0.000 0.444 137 L N -0.605 120.104 121.223 -0.857 0.000 2.131 137 L HA -0.114 4.194 4.340 -0.055 0.000 0.210 137 L C 2.534 179.211 176.870 -0.322 0.000 1.092 137 L CA 0.915 55.510 54.840 -0.410 0.000 0.759 137 L CB -0.585 41.327 42.059 -0.246 0.000 0.903 137 L HN 0.499 8.729 8.230 -0.000 0.000 0.435 138 G N -1.102 107.482 108.800 -0.360 0.000 2.848 138 G HA2 0.226 4.153 3.960 -0.055 0.000 0.208 138 G HA3 0.226 4.153 3.960 -0.055 0.000 0.208 138 G C 1.163 175.921 174.900 -0.236 0.000 1.152 138 G CA 0.461 45.424 45.100 -0.228 0.000 0.789 138 G HN 0.525 8.815 8.290 -0.000 0.000 0.531 139 G N -0.655 107.923 108.800 -0.369 0.000 2.140 139 G HA2 -0.162 3.765 3.960 -0.055 0.000 0.211 139 G HA3 -0.162 3.765 3.960 -0.055 0.000 0.211 139 G C 0.459 175.267 174.900 -0.154 0.000 1.013 139 G CA -0.196 44.784 45.100 -0.199 0.000 0.705 139 G HN 0.857 9.147 8.290 -0.000 0.000 0.508 140 F N -1.259 118.329 119.950 -0.605 0.000 3.091 140 F HA -0.215 4.279 4.527 -0.055 0.000 0.288 140 F C 1.166 176.837 175.800 -0.214 0.000 0.907 140 F CA 1.124 58.552 58.000 -0.954 0.000 1.028 140 F CB -1.724 36.771 39.000 -0.841 0.000 1.022 140 F HN 0.436 8.736 8.300 -0.000 0.000 0.665 141 Q N 1.591 121.425 119.800 0.056 0.000 2.364 141 Q HA 0.127 4.435 4.340 -0.055 0.000 0.267 141 Q C -1.178 175.017 176.000 0.324 0.000 0.999 141 Q CA -1.042 54.865 55.803 0.174 0.000 0.886 141 Q CB 0.481 29.270 28.738 0.085 0.000 1.243 141 Q HN 0.108 8.378 8.270 -0.000 0.000 0.415 142 P HA -0.019 4.401 4.420 -0.000 0.000 0.252 142 P C 0.920 178.283 177.300 0.105 0.000 1.218 142 P CA 0.499 63.662 63.100 0.105 0.000 0.807 142 P CB 0.416 32.147 31.700 0.051 0.000 1.072 143 S N -0.814 114.981 115.700 0.157 0.000 2.402 143 S HA 0.183 4.620 4.470 -0.055 0.000 0.229 143 S C 1.393 176.043 174.600 0.084 0.000 1.021 143 S CA 0.743 59.013 58.200 0.117 0.000 0.974 143 S CB -1.568 61.721 63.200 0.149 0.000 0.800 143 S HN 0.422 8.732 8.310 -0.000 0.000 0.484 144 G N 1.803 110.665 108.800 0.103 0.000 2.698 144 G HA2 -0.186 3.742 3.960 -0.055 0.000 0.233 144 G HA3 -0.186 3.742 3.960 -0.055 0.000 0.233 144 G C -1.821 173.064 174.900 -0.024 0.000 1.352 144 G CA -0.266 44.866 45.100 0.053 0.000 0.879 144 G HN 0.299 8.589 8.290 -0.000 0.000 0.567 145 P HA -0.073 4.347 4.420 -0.000 0.000 0.218 145 P C 1.771 178.982 177.300 -0.148 0.000 1.148 145 P CA 2.080 65.061 63.100 -0.199 0.000 0.822 145 P CB -0.029 31.599 31.700 -0.121 0.000 0.784 146 K N 0.267 120.624 120.400 -0.073 0.000 2.152 146 K HA -0.092 4.195 4.320 -0.055 0.000 0.206 146 K C 2.006 178.586 176.600 -0.034 0.000 1.048 146 K CA 1.917 58.176 56.287 -0.046 0.000 0.933 146 K CB -1.358 31.129 32.500 -0.022 0.000 0.721 146 K HN 0.088 8.338 8.250 -0.000 0.000 0.447 147 G N 0.143 108.934 108.800 -0.016 0.000 2.559 147 G HA2 -0.077 3.851 3.960 -0.055 0.000 0.216 147 G HA3 -0.077 3.851 3.960 -0.055 0.000 0.216 147 G C 1.139 176.047 174.900 0.014 0.000 1.126 147 G CA 0.562 45.679 45.100 0.028 0.000 0.778 147 G HN 0.313 8.603 8.290 -0.000 0.000 0.543 148 L N -0.143 121.036 121.223 -0.073 0.000 2.567 148 L HA 0.246 4.553 4.340 -0.055 0.000 0.225 148 L C 0.838 177.675 176.870 -0.056 0.000 1.119 148 L CA -0.131 54.650 54.840 -0.098 0.000 0.871 148 L CB -0.070 41.812 42.059 -0.294 0.000 1.036 148 L HN 0.179 8.409 8.230 -0.000 0.000 0.459 149 E N 1.370 121.544 120.200 -0.043 0.000 2.404 149 E HA 0.106 4.423 4.350 -0.055 0.000 0.261 149 E C -2.134 174.467 176.600 0.002 0.000 1.074 149 E CA -1.922 54.465 56.400 -0.022 0.000 0.917 149 E CB 0.079 29.765 29.700 -0.023 0.000 0.965 149 E HN -0.064 8.296 8.360 -0.000 0.000 0.433 150 P HA 0.014 4.434 4.420 -0.000 0.000 0.265 150 P C -2.135 175.177 177.300 0.020 0.000 1.193 150 P CA -0.647 62.468 63.100 0.025 0.000 0.765 150 P CB -0.142 31.577 31.700 0.033 0.000 0.823 151 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 151 P CA 0.000 63.111 63.100 0.018 0.000 0.800 151 P CB 0.000 31.711 31.700 0.018 0.000 0.726