NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
457775 | 2w9o | 16136 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 16.078 10.741 1.764 2 H2 ALA 1 HT3 ALA 1 17.410 11.805 1.587 3 H3 ALA 1 HT2 ALA 1 16.235 12.098 2.803 4 HA ALA 1 HA ALA 1 14.621 12.660 1.282 5 HB1 ALA 1 HB1 ALA 1 16.957 13.933 -0.043 6 HB2 ALA 1 HB2 ALA 1 16.729 14.196 1.686 7 HB3 ALA 1 HB3 ALA 1 15.460 14.652 0.549 No H/Q in entry = 7 In of MODEL 1 1 HA MET 2 HA MET 2 15.308 10.423 -2.495 2 HB2 MET 2 HB2 MET 2 14.429 8.146 -2.544 3 H MET 2 HN MET 2 14.106 10.648 0.179 4 HG2 MET 2 HG2 MET 2 12.998 9.012 -0.128 5 HE3 MET 2 HE1 MET 2 14.620 8.046 2.340 6 HB3 MET 2 HB1 MET 2 15.432 8.394 -1.121 7 HE2 MET 2 HE2 MET 2 13.270 6.977 2.719 8 HE1 MET 2 HE3 MET 2 12.977 8.507 1.893 9 HG3 MET 2 HG1 MET 2 12.564 7.807 -1.339 No H/Q in entry = 9 In of MODEL 1 1 HA ASP 3 HA ASP 3 10.238 11.544 -1.420 2 HB2 ASP 3 HB2 ASP 3 11.790 12.395 -3.870 3 H ASP 3 HN ASP 3 12.315 10.898 -0.759 4 HB3 ASP 3 HB1 ASP 3 10.086 12.766 -3.621 No H/Q in entry = 4 In of MODEL 1 1 HA CYS 4 HA CYS 4 8.884 8.075 -3.664 2 HB2 CYS 4 HB2 CYS 4 11.339 8.220 -4.740 3 H CYS 4 HN CYS 4 10.901 8.835 -1.750 4 HB3 CYS 4 HB1 CYS 4 11.428 6.596 -4.067 No H/Q in entry = 4 In of MODEL 1 1 HA THR 5 HA THR 5 8.835 5.546 0.041 2 HB THR 5 HB THR 5 6.031 5.311 -1.046 3 HG1 THR 5 HG1 THR 5 5.566 7.193 -0.227 4 HG21 THR 5 HG21 THR 5 7.244 4.065 1.103 5 HG23 THR 5 HG22 THR 5 5.512 4.221 0.808 6 HG22 THR 5 HG23 THR 5 6.344 5.401 1.820 7 H THR 5 HN THR 5 7.762 7.175 -1.967 No H/Q in entry = 7 In of MODEL 1 1 HA THR 6 HA THR 6 8.753 1.756 -2.188 2 HB THR 6 HB THR 6 10.441 0.256 -0.785 3 HG1 THR 6 HG1 THR 6 10.973 2.873 0.165 4 HG22 THR 6 HG21 THR 6 11.752 2.677 -1.862 5 HG21 THR 6 HG22 THR 6 10.767 1.718 -2.967 6 HG23 THR 6 HG23 THR 6 12.121 0.972 -2.119 7 H THR 6 HN THR 6 8.922 3.313 0.309 No H/Q in entry = 7 In of MODEL 1 1 HA3 GLY 7 HA2 GLY 7 7.617 -2.434 -0.438 2 H GLY 7 HN GLY 7 8.578 -0.686 -1.683 3 HA2 GLY 7 HA1 GLY 7 6.991 -1.251 0.700 No H/Q in entry = 3 In of MODEL 1 1 HA PRO 8 HA PRO 8 3.420 -2.977 -1.794 2 HB2 PRO 8 HB2 PRO 8 2.144 -2.104 0.756 3 HG2 PRO 8 HG2 PRO 8 3.288 -3.655 2.062 4 HD2 PRO 8 HD2 PRO 8 4.960 -2.103 1.719 5 HB3 PRO 8 HB1 PRO 8 1.877 -3.572 -0.192 6 HG3 PRO 8 HG1 PRO 8 3.765 -4.622 0.654 7 HD3 PRO 8 HD1 PRO 8 5.753 -3.496 0.956 No H/Q in entry = 7 In of MODEL 1 1 HA CYS 9 HA CYS 9 0.254 -0.063 -3.176 2 HB2 CYS 9 HB2 CYS 9 1.451 1.205 -0.709 3 H CYS 9 HN CYS 9 1.378 -1.863 -2.360 4 HB3 CYS 9 HB1 CYS 9 0.288 2.019 -1.749 No H/Q in entry = 4 In of MODEL 1 1 HA CYS 10 HA CYS 10 3.508 2.023 -5.262 2 HB2 CYS 10 HB2 CYS 10 5.142 0.836 -3.314 3 H CYS 10 HN CYS 10 2.936 -0.611 -4.123 4 HB3 CYS 10 HB1 CYS 10 5.975 0.571 -4.841 No H/Q in entry = 4 In of MODEL 1 1 HA ARG 11 HA ARG 11 5.390 -0.812 -8.373 2 HB2 ARG 11 HB2 ARG 11 3.028 -0.203 -8.840 3 HG2 ARG 11 HG2 ARG 11 3.388 -0.023 -11.473 4 HD2 ARG 11 HD2 ARG 11 3.846 -2.365 -9.652 5 HE ARG 11 HE ARG 11 4.660 -2.457 -12.244 6 HH11 ARG 11 HH11 ARG 11 2.066 -3.964 -10.460 7 HH12 ARG 11 HH12 ARG 11 2.043 -5.384 -11.450 8 HH21 ARG 11 HH21 ARG 11 4.631 -4.324 -13.547 9 HH22 ARG 11 HH22 ARG 11 3.499 -5.589 -13.202 10 H ARG 11 HN ARG 11 5.282 1.699 -7.055 11 HB3 ARG 11 HB1 ARG 11 3.588 1.262 -9.634 12 HG3 ARG 11 HG1 ARG 11 5.011 -0.538 -11.007 13 HD3 ARG 11 HD1 ARG 11 2.396 -1.950 -10.566 No H/Q in entry = 13 In of MODEL 1 1 HA GLN 12 HA GLN 12 9.504 0.491 -9.368 2 HB2 GLN 12 HB2 GLN 12 7.980 -0.002 -11.460 3 HG2 GLN 12 HG2 GLN 12 10.104 1.801 -12.339 4 HE21 GLN 12 HE21 GLN 12 11.300 -1.236 -12.113 5 HE22 GLN 12 HE22 GLN 12 10.777 -1.874 -13.632 6 H GLN 12 HN GLN 12 7.582 -0.307 -8.454 7 HB3 GLN 12 HB1 GLN 12 7.988 1.749 -11.617 8 HG3 GLN 12 HG1 GLN 12 10.630 0.559 -11.205 No H/Q in entry = 8 In of MODEL 1 1 HA CYS 13 HA CYS 13 9.220 4.063 -6.455 2 HB2 CYS 13 HB2 CYS 13 11.039 3.969 -8.465 3 H CYS 13 HN CYS 13 8.972 2.007 -7.394 4 HB3 CYS 13 HB1 CYS 13 10.101 5.376 -8.953 No H/Q in entry = 4 In of MODEL 1 1 HA LYS 14 HA LYS 14 5.608 6.059 -7.927 2 HB2 LYS 14 HB2 LYS 14 6.158 4.868 -10.254 3 HG2 LYS 14 HG2 LYS 14 4.724 7.047 -9.603 4 HD2 LYS 14 HD2 LYS 14 2.797 5.400 -11.212 5 HE2 LYS 14 HE2 LYS 14 1.232 7.177 -10.326 6 HZ2 LYS 14 HZ1 LYS 14 1.677 7.649 -12.475 7 HZ1 LYS 14 HZ2 LYS 14 3.356 7.596 -12.276 8 HZ3 LYS 14 HZ3 LYS 14 2.491 8.968 -11.795 9 H LYS 14 HN LYS 14 6.708 3.366 -7.739 10 HB3 LYS 14 HB1 LYS 14 4.596 4.122 -9.945 11 HG3 LYS 14 HG1 LYS 14 4.905 6.441 -11.251 12 HD3 LYS 14 HD1 LYS 14 2.676 5.524 -9.456 13 HE3 LYS 14 HE1 LYS 14 2.667 8.032 -9.763 No H/Q in entry = 13 In of MODEL 1 1 HA LEU 15 HA LEU 15 2.889 3.924 -5.226 2 HB2 LEU 15 HB2 LEU 15 1.197 5.535 -4.371 3 HG LEU 15 HG LEU 15 2.389 7.313 -6.439 4 HD13 LEU 15 HD11 LEU 15 0.242 7.763 -6.947 5 HD12 LEU 15 HD12 LEU 15 -0.269 7.778 -5.259 6 HD11 LEU 15 HD13 LEU 15 -0.058 6.244 -6.103 7 HD21 LEU 15 HD21 LEU 15 2.002 8.041 -3.601 8 HD23 LEU 15 HD22 LEU 15 1.378 9.172 -4.802 9 HD22 LEU 15 HD23 LEU 15 3.084 8.726 -4.813 10 H LEU 15 HN LEU 15 4.014 6.147 -6.503 11 HB3 LEU 15 HB1 LEU 15 2.857 6.050 -4.140 No H/Q in entry = 11 In of MODEL 1 1 HA LYS 16 HA LYS 16 -0.255 2.894 -8.031 2 HB2 LYS 16 HB2 LYS 16 -1.185 1.429 -5.556 3 HG2 LYS 16 HG2 LYS 16 1.275 1.096 -6.592 4 HD2 LYS 16 HD2 LYS 16 -0.613 -0.287 -8.379 5 HE2 LYS 16 HE2 LYS 16 1.488 -1.962 -8.629 6 HZ2 LYS 16 HZ1 LYS 16 -0.803 -2.663 -8.543 7 HZ1 LYS 16 HZ2 LYS 16 -0.874 -2.374 -6.878 8 HZ3 LYS 16 HZ3 LYS 16 0.115 -3.607 -7.480 9 H LYS 16 HN LYS 16 0.783 3.033 -5.327 10 HB3 LYS 16 HB1 LYS 16 -1.604 1.045 -7.220 11 HG3 LYS 16 HG1 LYS 16 0.333 -0.197 -5.846 12 HD3 LYS 16 HD1 LYS 16 1.045 0.245 -8.670 13 HE3 LYS 16 HE1 LYS 16 1.474 -1.728 -6.882 No H/Q in entry = 13 In of MODEL 1 1 HA PRO 17 HA PRO 17 -3.790 5.493 -7.808 2 HB2 PRO 17 HB2 PRO 17 -5.496 3.096 -8.290 3 HG2 PRO 17 HG2 PRO 17 -4.354 2.455 -10.215 4 HD2 PRO 17 HD2 PRO 17 -2.858 1.755 -8.605 5 HB3 PRO 17 HB1 PRO 17 -5.449 4.636 -9.156 6 HG3 PRO 17 HG1 PRO 17 -3.575 4.039 -10.386 7 HD3 PRO 17 HD1 PRO 17 -1.802 2.914 -9.437 No H/Q in entry = 7 In of MODEL 1 1 HA ALA 18 HA ALA 18 -5.214 5.128 -3.727 2 HB1 ALA 18 HB1 ALA 18 -5.691 7.521 -4.379 3 HB2 ALA 18 HB2 ALA 18 -6.731 6.842 -3.127 4 HB3 ALA 18 HB3 ALA 18 -7.326 6.994 -4.780 5 H ALA 18 HN ALA 18 -5.219 6.224 -6.301 No H/Q in entry = 5 In of MODEL 1 1 HA3 GLY 19 HA2 GLY 19 -8.411 2.427 -2.330 2 H GLY 19 HN GLY 19 -6.354 3.553 -2.801 3 HA2 GLY 19 HA1 GLY 19 -8.953 2.809 -3.957 No H/Q in entry = 3 In of MODEL 1 1 HA THR 20 HA THR 20 -6.440 -0.827 -4.869 2 HB THR 20 HB THR 20 -3.727 0.230 -4.051 3 HG1 THR 20 HG1 THR 20 -4.027 1.560 -5.627 4 HG23 THR 20 HG21 THR 20 -3.429 -2.048 -4.522 5 HG22 THR 20 HG22 THR 20 -2.972 -1.193 -5.995 6 HG21 THR 20 HG23 THR 20 -4.540 -1.993 -5.891 7 H THR 20 HN THR 20 -5.752 1.571 -3.344 No H/Q in entry = 7 In of MODEL 1 1 HA THR 21 HA THR 21 -5.939 -3.318 -1.359 2 HB THR 21 HB THR 21 -5.366 -5.785 -2.259 3 HG1 THR 21 HG1 THR 21 -5.163 -5.744 -4.335 4 HG23 THR 21 HG21 THR 21 -7.460 -5.505 -1.307 5 HG22 THR 21 HG22 THR 21 -7.819 -5.944 -2.977 6 HG21 THR 21 HG23 THR 21 -7.928 -4.260 -2.464 7 H THR 21 HN THR 21 -5.500 -2.907 -4.197 No H/Q in entry = 7 In of MODEL 1 1 HA CYS 22 HA CYS 22 -1.643 -3.851 -0.745 2 HB2 CYS 22 HB2 CYS 22 -2.520 -2.388 1.119 3 H CYS 22 HN CYS 22 -4.446 -4.067 0.102 4 HB3 CYS 22 HB1 CYS 22 -2.709 -3.849 2.082 No H/Q in entry = 4 In of MODEL 1 1 HA TRP 23 HA TRP 23 -1.375 -8.261 -1.649 2 HB2 TRP 23 HB2 TRP 23 0.509 -7.401 -0.184 3 HD1 TRP 23 HD1 TRP 23 -0.044 -9.967 -2.011 4 HE1 TRP 23 HE1 TRP 23 1.028 -12.216 -1.365 5 HE3 TRP 23 HE3 TRP 23 0.841 -9.052 2.941 6 HZ2 TRP 23 HZ2 TRP 23 2.107 -13.440 0.939 7 HZ3 TRP 23 HZ3 TRP 23 1.896 -10.815 4.296 8 HH2 TRP 23 HH2 TRP 23 2.515 -12.963 3.314 9 H TRP 23 HN TRP 23 -1.835 -6.034 -1.676 10 HB3 TRP 23 HB1 TRP 23 -0.468 -7.870 1.204 No H/Q in entry = 10 In of MODEL 1 1 HA ARG 24 HA ARG 24 -5.292 -9.029 0.524 2 HB2 ARG 24 HB2 ARG 24 -5.801 -8.881 -2.110 3 HG2 ARG 24 HG2 ARG 24 -7.414 -9.935 0.140 4 HD2 ARG 24 HD2 ARG 24 -9.355 -10.234 -1.327 5 HE ARG 24 HE ARG 24 -7.668 -12.180 -2.537 6 HH11 ARG 24 HH11 ARG 24 -8.963 -11.141 0.533 7 HH12 ARG 24 HH12 ARG 24 -8.856 -12.713 1.252 8 HH21 ARG 24 HH21 ARG 24 -7.528 -14.248 -1.594 9 HH22 ARG 24 HH22 ARG 24 -8.041 -14.477 0.045 10 H ARG 24 HN ARG 24 -3.680 -8.632 -1.748 11 HB3 ARG 24 HB1 ARG 24 -5.866 -10.627 -1.909 12 HG3 ARG 24 HG1 ARG 24 -7.683 -8.527 -0.889 13 HD3 ARG 24 HD1 ARG 24 -8.320 -10.006 -2.735 No H/Q in entry = 13 In of MODEL 1 1 HA THR 25 HA THR 25 -5.085 -13.390 1.281 2 HB THR 25 HB THR 25 -2.727 -12.773 1.154 3 HG1 THR 25 HG1 THR 25 -2.744 -14.738 1.955 4 HG23 THR 25 HG21 THR 25 -1.588 -11.533 2.623 5 HG22 THR 25 HG22 THR 25 -2.426 -12.221 4.014 6 HG21 THR 25 HG23 THR 25 -3.183 -10.932 3.077 7 H THR 25 HN THR 25 -5.511 -10.686 1.894 No H/Q in entry = 7 In of MODEL 1 1 HA SER 26 HA SER 26 -6.665 -13.556 5.348 2 HB2 SER 26 HB2 SER 26 -5.707 -16.325 4.715 3 HG SER 26 HG SER 26 -7.963 -16.665 4.655 4 H SER 26 HN SER 26 -4.680 -14.655 3.496 5 HB3 SER 26 HB1 SER 26 -6.457 -16.003 6.278 No H/Q in entry = 5 In of MODEL 1 1 HA VAL 27 HA VAL 27 -2.985 -13.546 7.940 2 HB VAL 27 HB VAL 27 -1.334 -12.091 5.875 3 H VAL 27 HN VAL 27 -3.906 -12.613 5.302 No H/Q in entry = 3 In of MODEL 1 1 HA SER 28 HA SER 28 -4.490 -9.161 8.188 2 HB2 SER 28 HB2 SER 28 -2.041 -9.097 8.568 3 HG SER 28 HG SER 28 -1.937 -6.897 8.806 4 H SER 28 HN SER 28 -3.777 -10.747 5.987 5 HB3 SER 28 HB1 SER 28 -1.826 -8.406 6.960 No H/Q in entry = 5 In of MODEL 1 1 HA SER 29 HA SER 29 -6.119 -7.715 4.292 2 HB2 SER 29 HB2 SER 29 -8.258 -7.856 6.379 3 HG SER 29 HG SER 29 -8.425 -8.639 3.683 4 H SER 29 HN SER 29 -6.261 -8.610 6.992 5 HB3 SER 29 HB1 SER 29 -8.532 -6.866 4.945 No H/Q in entry = 5 In of MODEL 1 1 HA HIS 30 HA HIS 30 -6.016 -3.416 5.192 2 HB2 HIS 30 HB2 HIS 30 -3.294 -4.268 4.211 3 HD1 HIS 30 HD1 HIS 30 -1.580 -4.435 6.136 4 HD2 HIS 30 HD2 HIS 30 -5.452 -3.581 7.377 5 HE1 HIS 30 HE1 HIS 30 -1.580 -4.786 8.626 6 HE2 HIS 30 HE2 HIS 30 -3.911 -4.178 9.366 7 H HIS 30 HN HIS 30 -5.449 -5.804 3.598 8 HB3 HIS 30 HB1 HIS 30 -3.667 -2.596 4.617 No H/Q in entry = 8 In of MODEL 1 1 HA TYR 31 HA TYR 31 -5.603 -1.864 0.944 2 HB2 TYR 31 HB2 TYR 31 -7.288 -0.182 2.773 3 HD1 TYR 31 HD1 TYR 31 -8.061 -1.176 -0.670 4 HD2 TYR 31 HD2 TYR 31 -8.530 -2.146 3.446 5 HE1 TYR 31 HE1 TYR 31 -9.834 -2.776 -1.255 6 HE2 TYR 31 HE2 TYR 31 -10.303 -3.749 2.872 7 HH TYR 31 HH TYR 31 -12.003 -3.959 0.821 8 H TYR 31 HN TYR 31 -5.066 -1.439 3.777 9 HB3 TYR 31 HB1 TYR 31 -7.121 0.250 1.075 No H/Q in entry = 9 In of MODEL 1 1 HA CYS 32 HA CYS 32 -2.840 1.488 0.710 2 HB2 CYS 32 HB2 CYS 32 -4.219 1.517 -1.974 3 H CYS 32 HN CYS 32 -5.330 0.311 -0.258 4 HB3 CYS 32 HB1 CYS 32 -2.801 2.500 -1.625 No H/Q in entry = 4 In of MODEL 1 1 HA THR 33 HA THR 33 -4.779 5.286 1.489 2 HB THR 33 HB THR 33 -3.055 7.173 1.612 3 HG1 THR 33 HG1 THR 33 -1.214 6.813 0.713 4 HG22 THR 33 HG21 THR 33 -1.630 5.391 3.226 5 HG21 THR 33 HG22 THR 33 -3.302 4.830 3.234 6 HG23 THR 33 HG23 THR 33 -2.926 6.487 3.706 7 H THR 33 HN THR 33 -2.508 3.841 0.403 No H/Q in entry = 7 In of MODEL 1 1 HA3 GLY 34 HA2 GLY 34 -3.784 6.437 -3.241 2 H GLY 34 HN GLY 34 -2.373 6.165 -0.996 3 HA2 GLY 34 HA1 GLY 34 -4.375 7.812 -2.321 No H/Q in entry = 3 In of MODEL 1 1 HA ARG 35 HA ARG 35 -0.134 9.086 -3.313 2 HB2 ARG 35 HB2 ARG 35 -0.659 10.783 -0.870 3 HG2 ARG 35 HG2 ARG 35 -1.734 11.297 -3.627 4 HD2 ARG 35 HD2 ARG 35 -2.150 12.530 -0.916 5 HE ARG 35 HE ARG 35 -3.683 13.651 -3.058 6 HH11 ARG 35 HH11 ARG 35 -3.691 11.247 -0.528 7 HH12 ARG 35 HH12 ARG 35 -5.417 11.206 -0.400 8 HH21 ARG 35 HH21 ARG 35 -5.954 13.599 -2.892 9 HH22 ARG 35 HH22 ARG 35 -6.702 12.541 -1.742 10 H ARG 35 HN ARG 35 -1.729 8.174 -1.023 11 HB3 ARG 35 HB1 ARG 35 0.236 11.246 -2.311 12 HG3 ARG 35 HG1 ARG 35 -2.680 10.519 -2.356 13 HD3 ARG 35 HD1 ARG 35 -1.530 13.300 -2.376 No H/Q in entry = 13 In of MODEL 1 1 HA SER 36 HA SER 36 2.960 7.251 -0.867 2 HB2 SER 36 HB2 SER 36 0.805 7.020 1.174 3 HG SER 36 HG SER 36 2.186 8.381 2.270 4 H SER 36 HN SER 36 0.243 6.796 -1.664 5 HB3 SER 36 HB1 SER 36 2.306 6.146 1.481 No H/Q in entry = 5 In of MODEL 1 1 HA CYS 37 HA CYS 37 2.561 2.826 -1.085 2 HB2 CYS 37 HB2 CYS 37 5.535 3.373 -1.004 3 H CYS 37 HN CYS 37 3.871 5.156 0.151 4 HB3 CYS 37 HB1 CYS 37 4.761 1.955 -1.704 No H/Q in entry = 4 In of MODEL 1 1 HA GLU 38 HA GLU 38 3.930 1.679 3.070 2 HB2 GLU 38 HB2 GLU 38 2.558 4.133 4.184 3 HG2 GLU 38 HG2 GLU 38 4.864 4.220 2.820 4 H GLU 38 HN GLU 38 2.429 3.776 1.658 5 HB3 GLU 38 HB1 GLU 38 3.492 2.968 5.113 6 HG3 GLU 38 HG1 GLU 38 4.494 5.267 4.189 No H/Q in entry = 6 In of MODEL 1 1 HA CYS 39 HA CYS 39 -0.036 0.118 4.131 2 HB2 CYS 39 HB2 CYS 39 1.553 -1.722 3.107 3 H CYS 39 HN CYS 39 2.896 0.219 4.406 4 HB3 CYS 39 HB1 CYS 39 1.577 -2.320 4.762 No H/Q in entry = 4 In of MODEL 1 1 HA PRO 40 HA PRO 40 0.699 1.040 8.606 2 HB2 PRO 40 HB2 PRO 40 -2.229 1.484 8.270 3 HG2 PRO 40 HG2 PRO 40 -1.967 3.227 6.749 4 HD2 PRO 40 HD2 PRO 40 -1.520 1.426 5.380 5 HB3 PRO 40 HB1 PRO 40 -1.032 2.467 9.121 6 HG3 PRO 40 HG1 PRO 40 -0.259 3.454 7.169 7 HD3 PRO 40 HD1 PRO 40 0.048 2.245 5.232 No H/Q in entry = 7 In of MODEL 1 1 HA SER 41 HA SER 41 -1.422 -2.540 10.008 2 HB2 SER 41 HB2 SER 41 0.433 -1.762 11.709 3 HG SER 41 HG SER 41 -1.465 -3.612 12.677 4 H SER 41 HN SER 41 -0.705 0.264 10.523 5 HB3 SER 41 HB1 SER 41 -0.948 -1.473 12.766 No H/Q in entry = 5 In of MODEL 1 1 HA TYR 42 HA TYR 42 -5.167 -0.508 11.712 2 HB2 TYR 42 HB2 TYR 42 -5.192 1.131 9.169 3 HD1 TYR 42 HD1 TYR 42 -5.315 1.549 12.887 4 HD2 TYR 42 HD2 TYR 42 -3.657 2.841 9.189 5 HE1 TYR 42 HE1 TYR 42 -4.015 3.264 14.077 6 HE2 TYR 42 HE2 TYR 42 -2.351 4.560 10.368 7 HH TYR 42 HH TYR 42 -1.439 4.796 12.853 8 H TYR 42 HN TYR 42 -3.228 -0.312 9.543 9 HB3 TYR 42 HB1 TYR 42 -6.425 1.199 10.424 No H/Q in entry = 9 In of MODEL 1 1 HA PRO 43 HA PRO 43 -7.655 -3.565 9.734 2 HB2 PRO 43 HB2 PRO 43 -10.123 -2.899 10.645 3 HG2 PRO 43 HG2 PRO 43 -9.672 -0.766 11.445 4 HD2 PRO 43 HD2 PRO 43 -7.518 -0.033 11.808 5 HB3 PRO 43 HB1 PRO 43 -8.893 -3.649 11.669 6 HG3 PRO 43 HG1 PRO 43 -9.330 -1.723 12.899 7 HD3 PRO 43 HD1 PRO 43 -7.048 -1.526 12.644 No H/Q in entry = 7 In of MODEL 1 1 HA3 GLY 44 HA2 GLY 44 -9.537 -0.823 6.669 2 H GLY 44 HN GLY 44 -8.474 -0.180 9.340 3 HA2 GLY 44 HA1 GLY 44 -10.435 0.249 7.733 No H/Q in entry = 3 In of MODEL 1 1 HA ASN 45 HA ASN 45 -8.041 3.243 5.626 2 HB2 ASN 45 HB2 ASN 45 -6.107 1.567 5.932 3 HD21 ASN 45 HD21 ASN 45 -5.574 3.619 6.788 4 HD22 ASN 45 HD22 ASN 45 -4.683 4.764 5.851 5 H ASN 45 HN ASN 45 -9.114 0.641 5.063 6 HB3 ASN 45 HB1 ASN 45 -6.177 1.369 4.184 No H/Q in entry = 6 In of MODEL 1 1 HA3 GLY 46 HA2 GLY 46 -8.913 5.350 1.839 2 H GLY 46 HN GLY 46 -8.266 4.605 3.912 3 HA2 GLY 46 HA1 GLY 46 -8.308 3.828 1.203 No H/Q in entry = 3 In of MODEL 2 1 H1 ALA 1 HT3 ALA 1 17.655 16.414 -6.406 2 H2 ALA 1 HT2 ALA 1 17.800 17.427 -5.028 3 H3 ALA 1 HT1 ALA 1 18.922 16.153 -5.282 4 HA ALA 1 HA ALA 1 17.482 15.432 -3.646 5 HB1 ALA 1 HB1 ALA 1 15.169 15.678 -3.657 6 HB3 ALA 1 HB2 ALA 1 15.107 15.944 -5.400 7 HB2 ALA 1 HB3 ALA 1 15.743 17.200 -4.338 No H/Q in entry = 7 In of MODEL 2 1 HA MET 2 HA MET 2 16.224 11.898 -6.151 2 HB2 MET 2 HB2 MET 2 18.476 11.729 -4.738 3 H MET 2 HN MET 2 16.189 13.383 -3.652 4 HG2 MET 2 HG2 MET 2 17.408 9.103 -5.647 5 HE1 MET 2 HE1 MET 2 19.635 11.724 -6.981 6 HB3 MET 2 HB1 MET 2 17.538 10.534 -3.853 7 HE3 MET 2 HE2 MET 2 20.456 10.529 -7.986 8 HE2 MET 2 HE3 MET 2 21.290 11.245 -6.608 9 HG3 MET 2 HG1 MET 2 17.665 10.389 -6.826 No H/Q in entry = 9 In of MODEL 2 1 HA ASP 3 HA ASP 3 12.924 10.504 -3.471 2 HB2 ASP 3 HB2 ASP 3 11.898 12.703 -4.028 3 H ASP 3 HN ASP 3 13.930 12.049 -5.735 4 HB3 ASP 3 HB1 ASP 3 11.381 12.036 -5.574 No H/Q in entry = 4 In of MODEL 2 1 HA CYS 4 HA CYS 4 10.670 7.740 -6.315 2 HB2 CYS 4 HB2 CYS 4 13.057 7.157 -6.339 3 H CYS 4 HN CYS 4 11.248 8.876 -3.822 4 HB3 CYS 4 HB1 CYS 4 12.872 6.320 -4.802 No H/Q in entry = 4 In of MODEL 2 1 HA THR 5 HA THR 5 9.991 6.056 -1.306 2 HB THR 5 HB THR 5 7.563 5.987 -3.025 3 HG1 THR 5 HG1 THR 5 8.822 8.372 -2.158 4 HG21 THR 5 HG21 THR 5 7.866 5.636 -0.401 5 HG23 THR 5 HG22 THR 5 6.408 6.320 -1.120 6 HG22 THR 5 HG23 THR 5 7.634 7.383 -0.430 7 H THR 5 HN THR 5 11.222 7.125 -2.891 No H/Q in entry = 7 In of MODEL 2 1 HA THR 6 HA THR 6 9.684 1.988 -2.946 2 HB THR 6 HB THR 6 11.610 0.655 -1.693 3 HG1 THR 6 HG1 THR 6 12.987 1.859 -0.667 4 HG22 THR 6 HG21 THR 6 12.956 2.497 -3.455 5 HG21 THR 6 HG22 THR 6 11.438 1.924 -4.145 6 HG23 THR 6 HG23 THR 6 12.667 0.767 -3.633 7 H THR 6 HN THR 6 10.588 4.011 -1.004 No H/Q in entry = 7 In of MODEL 2 1 HA3 GLY 7 HA2 GLY 7 9.036 -1.490 0.158 2 H GLY 7 HN GLY 7 9.542 -0.266 -1.873 3 HA2 GLY 7 HA1 GLY 7 8.328 -0.017 0.804 No H/Q in entry = 3 In of MODEL 2 1 HA PRO 8 HA PRO 8 4.815 -2.601 -0.706 2 HB2 PRO 8 HB2 PRO 8 3.116 -1.905 1.293 3 HG2 PRO 8 HG2 PRO 8 4.461 -0.392 2.430 4 HD2 PRO 8 HD2 PRO 8 6.734 -0.273 2.068 5 HB3 PRO 8 HB1 PRO 8 4.293 -3.214 1.446 6 HG3 PRO 8 HG1 PRO 8 4.917 -1.893 3.255 7 HD3 PRO 8 HD1 PRO 8 6.937 -2.034 2.153 No H/Q in entry = 7 In of MODEL 2 1 HA CYS 9 HA CYS 9 1.392 -0.578 -2.721 2 HB2 CYS 9 HB2 CYS 9 1.019 0.289 -0.392 3 H CYS 9 HN CYS 9 2.838 -1.961 -1.640 4 HB3 CYS 9 HB1 CYS 9 2.219 1.533 -0.721 No H/Q in entry = 4 In of MODEL 2 1 HA CYS 10 HA CYS 10 4.206 1.198 -5.537 2 HB2 CYS 10 HB2 CYS 10 6.081 2.587 -4.838 3 H CYS 10 HN CYS 10 4.163 -0.764 -3.536 4 HB3 CYS 10 HB1 CYS 10 4.773 2.707 -3.666 No H/Q in entry = 4 In of MODEL 2 1 HA ARG 11 HA ARG 11 7.603 -1.390 -6.579 2 HB2 ARG 11 HB2 ARG 11 5.496 -2.232 -8.567 3 HG2 ARG 11 HG2 ARG 11 5.777 -2.973 -5.681 4 HD2 ARG 11 HD2 ARG 11 3.976 -4.758 -6.615 5 HE ARG 11 HE ARG 11 6.721 -5.007 -5.805 6 HH11 ARG 11 HH11 ARG 11 3.905 -6.735 -6.929 7 HH12 ARG 11 HH12 ARG 11 4.405 -8.246 -6.247 8 HH21 ARG 11 HH21 ARG 11 7.381 -6.993 -4.907 9 HH22 ARG 11 HH22 ARG 11 6.378 -8.393 -5.098 10 H ARG 11 HN ARG 11 5.218 0.226 -7.155 11 HB3 ARG 11 HB1 ARG 11 6.877 -3.163 -8.004 12 HG3 ARG 11 HG1 ARG 11 4.324 -2.534 -6.581 13 HD3 ARG 11 HD1 ARG 11 5.115 -4.716 -7.960 No H/Q in entry = 13 In of MODEL 2 1 HA GLN 12 HA GLN 12 10.506 -0.334 -9.704 2 HB2 GLN 12 HB2 GLN 12 8.431 -1.526 -10.938 3 HG2 GLN 12 HG2 GLN 12 9.528 -0.600 -13.150 4 HE21 GLN 12 HE21 GLN 12 12.321 -1.427 -11.556 5 HE22 GLN 12 HE22 GLN 12 12.261 -3.140 -11.770 6 H GLN 12 HN GLN 12 9.243 -1.204 -8.025 7 HB3 GLN 12 HB1 GLN 12 8.181 0.126 -11.486 8 HG3 GLN 12 HG1 GLN 12 10.765 -0.050 -12.021 No H/Q in entry = 8 In of MODEL 2 1 HA CYS 13 HA CYS 13 9.470 3.685 -7.309 2 HB2 CYS 13 HB2 CYS 13 11.347 3.492 -9.188 3 H CYS 13 HN CYS 13 9.573 1.458 -7.755 4 HB3 CYS 13 HB1 CYS 13 10.170 4.420 -10.111 No H/Q in entry = 4 In of MODEL 2 1 HA LYS 14 HA LYS 14 5.637 4.663 -9.244 2 HB2 LYS 14 HB2 LYS 14 5.235 1.852 -10.282 3 HG2 LYS 14 HG2 LYS 14 7.274 3.275 -11.115 4 HD2 LYS 14 HD2 LYS 14 4.911 4.701 -12.164 5 HE2 LYS 14 HE2 LYS 14 7.261 4.807 -13.935 6 HZ2 LYS 14 HZ1 LYS 14 5.618 6.065 -14.800 7 HZ1 LYS 14 HZ2 LYS 14 4.375 5.156 -14.101 8 HZ3 LYS 14 HZ3 LYS 14 5.146 4.598 -15.499 9 H LYS 14 HN LYS 14 7.118 2.322 -8.277 10 HB3 LYS 14 HB1 LYS 14 4.318 3.275 -10.756 11 HG3 LYS 14 HG1 LYS 14 6.263 2.376 -12.249 12 HD3 LYS 14 HD1 LYS 14 6.545 5.289 -11.849 13 HE3 LYS 14 HE1 LYS 14 6.293 3.338 -14.041 No H/Q in entry = 13 In of MODEL 2 1 HA LEU 15 HA LEU 15 3.532 3.373 -5.570 2 HB2 LEU 15 HB2 LEU 15 3.534 6.048 -5.812 3 HG LEU 15 HG LEU 15 2.057 4.291 -3.919 4 HD13 LEU 15 HD11 LEU 15 4.159 4.530 -3.128 5 HD12 LEU 15 HD12 LEU 15 3.483 6.007 -2.440 6 HD11 LEU 15 HD13 LEU 15 4.408 6.076 -3.940 7 HD23 LEU 15 HD21 LEU 15 1.800 7.290 -3.831 8 HD22 LEU 15 HD22 LEU 15 1.064 6.112 -2.745 9 HD21 LEU 15 HD23 LEU 15 0.534 6.214 -4.424 10 H LEU 15 HN LEU 15 4.387 5.151 -7.557 11 HB3 LEU 15 HB1 LEU 15 1.841 5.737 -6.147 No H/Q in entry = 11 In of MODEL 2 1 HA LYS 16 HA LYS 16 0.016 1.669 -7.453 2 HB2 LYS 16 HB2 LYS 16 -0.378 1.088 -4.515 3 HG2 LYS 16 HG2 LYS 16 1.640 0.141 -5.854 4 HD2 LYS 16 HD2 LYS 16 -0.683 -1.460 -6.888 5 HE2 LYS 16 HE2 LYS 16 2.132 -2.323 -7.327 6 HZ2 LYS 16 HZ1 LYS 16 0.712 -3.595 -8.567 7 HZ1 LYS 16 HZ2 LYS 16 -0.543 -3.528 -7.435 8 HZ3 LYS 16 HZ3 LYS 16 0.793 -4.527 -7.158 9 H LYS 16 HN LYS 16 1.370 2.644 -5.076 10 HB3 LYS 16 HB1 LYS 16 -1.337 0.358 -5.795 11 HG3 LYS 16 HG1 LYS 16 0.691 -0.919 -4.811 12 HD3 LYS 16 HD1 LYS 16 0.605 -0.678 -7.807 13 HE3 LYS 16 HE1 LYS 16 1.335 -2.772 -5.819 No H/Q in entry = 13 In of MODEL 2 1 HA PRO 17 HA PRO 17 -3.281 4.581 -7.666 2 HB2 PRO 17 HB2 PRO 17 -5.083 2.213 -7.817 3 HG2 PRO 17 HG2 PRO 17 -3.953 1.240 -9.605 4 HD2 PRO 17 HD2 PRO 17 -2.507 0.730 -7.881 5 HB3 PRO 17 HB1 PRO 17 -4.957 3.602 -8.902 6 HG3 PRO 17 HG1 PRO 17 -3.102 2.746 -10.000 7 HD3 PRO 17 HD1 PRO 17 -1.391 1.696 -8.867 No H/Q in entry = 7 In of MODEL 2 1 HA ALA 18 HA ALA 18 -4.683 4.819 -3.556 2 HB1 ALA 18 HB1 ALA 18 -4.858 7.152 -4.278 3 HB2 ALA 18 HB2 ALA 18 -6.203 6.694 -3.233 4 HB3 ALA 18 HB3 ALA 18 -6.442 6.816 -4.977 5 H ALA 18 HN ALA 18 -4.566 5.616 -6.236 No H/Q in entry = 5 In of MODEL 2 1 HA3 GLY 19 HA2 GLY 19 -8.120 2.369 -2.690 2 H GLY 19 HN GLY 19 -5.530 2.732 -3.399 3 HA2 GLY 19 HA1 GLY 19 -8.159 2.131 -4.431 No H/Q in entry = 3 In of MODEL 2 1 HA THR 20 HA THR 20 -6.073 -1.713 -4.251 2 HB THR 20 HB THR 20 -3.235 -0.864 -3.879 3 HG1 THR 20 HG1 THR 20 -4.792 -0.361 -6.190 4 HG22 THR 20 HG21 THR 20 -2.963 -2.455 -5.829 5 HG21 THR 20 HG22 THR 20 -4.645 -2.907 -5.556 6 HG23 THR 20 HG23 THR 20 -3.448 -3.158 -4.286 7 H THR 20 HN THR 20 -5.407 1.000 -4.396 No H/Q in entry = 7 In of MODEL 2 1 HA THR 21 HA THR 21 -4.998 -2.423 -0.059 2 HB THR 21 HB THR 21 -6.676 -4.059 -0.365 3 HG1 THR 21 HG1 THR 21 -5.496 -4.529 1.465 4 HG21 THR 21 HG21 THR 21 -4.802 -5.256 -2.243 5 HG23 THR 21 HG22 THR 21 -6.562 -5.342 -2.177 6 HG22 THR 21 HG23 THR 21 -5.588 -6.425 -1.183 7 H THR 21 HN THR 21 -4.935 -3.341 -2.854 No H/Q in entry = 7 In of MODEL 2 1 HA CYS 22 HA CYS 22 -0.691 -3.182 -0.132 2 HB2 CYS 22 HB2 CYS 22 -1.144 -2.569 2.787 3 H CYS 22 HN CYS 22 -3.141 -2.341 1.003 4 HB3 CYS 22 HB1 CYS 22 0.340 -2.380 1.860 No H/Q in entry = 4 In of MODEL 2 1 HA TRP 23 HA TRP 23 -0.384 -7.585 -0.177 2 HB2 TRP 23 HB2 TRP 23 1.423 -6.752 1.296 3 HD1 TRP 23 HD1 TRP 23 1.400 -9.446 0.123 4 HE1 TRP 23 HE1 TRP 23 1.729 -11.625 1.452 5 HE3 TRP 23 HE3 TRP 23 0.133 -7.757 4.780 6 HZ2 TRP 23 HZ2 TRP 23 1.483 -12.512 4.121 7 HZ3 TRP 23 HZ3 TRP 23 0.206 -9.335 6.666 8 HH2 TRP 23 HH2 TRP 23 0.866 -11.663 6.342 9 H TRP 23 HN TRP 23 -0.689 -5.365 -0.564 10 HB3 TRP 23 HB1 TRP 23 0.282 -6.687 2.635 No H/Q in entry = 10 In of MODEL 2 1 HA ARG 24 HA ARG 24 -4.141 -8.578 1.887 2 HB2 ARG 24 HB2 ARG 24 -5.640 -9.771 0.192 3 HG2 ARG 24 HG2 ARG 24 -3.828 -8.646 -1.891 4 HD2 ARG 24 HD2 ARG 24 -6.355 -9.589 -1.993 5 HE ARG 24 HE ARG 24 -5.071 -11.939 -1.640 6 HH11 ARG 24 HH11 ARG 24 -6.713 -10.508 -4.366 7 HH12 ARG 24 HH12 ARG 24 -7.205 -12.031 -5.029 8 HH21 ARG 24 HH21 ARG 24 -5.717 -13.943 -2.510 9 HH22 ARG 24 HH22 ARG 24 -6.641 -13.981 -3.974 10 H ARG 24 HN ARG 24 -2.182 -8.756 -0.297 11 HB3 ARG 24 HB1 ARG 24 -5.228 -8.095 -0.141 12 HG3 ARG 24 HG1 ARG 24 -3.579 -10.293 -1.308 13 HD3 ARG 24 HD1 ARG 24 -5.227 -9.634 -3.347 No H/Q in entry = 13 In of MODEL 2 1 HA THR 25 HA THR 25 -3.560 -12.948 2.277 2 HB THR 25 HB THR 25 -3.047 -13.385 4.575 3 HG1 THR 25 HG1 THR 25 -4.455 -10.987 5.108 4 HG22 THR 25 HG21 THR 25 -2.100 -10.708 4.896 5 HG21 THR 25 HG22 THR 25 -1.875 -11.232 3.227 6 HG23 THR 25 HG23 THR 25 -1.198 -12.182 4.549 7 H THR 25 HN THR 25 -4.881 -10.406 2.934 No H/Q in entry = 7 In of MODEL 2 1 HA SER 26 HA SER 26 -8.383 -12.732 1.731 2 HB2 SER 26 HB2 SER 26 -6.882 -14.975 1.732 3 HG SER 26 HG SER 26 -8.981 -14.632 0.759 4 H SER 26 HN SER 26 -6.233 -11.992 1.698 5 HB3 SER 26 HB1 SER 26 -7.748 -15.198 3.252 No H/Q in entry = 5 In of MODEL 2 1 HA VAL 27 HA VAL 27 -9.675 -11.232 5.606 2 HB VAL 27 HB VAL 27 -8.545 -13.204 6.536 3 H VAL 27 HN VAL 27 -7.477 -11.085 3.883 No H/Q in entry = 3 In of MODEL 2 1 HA SER 28 HA SER 28 -6.674 -7.899 6.895 2 HB2 SER 28 HB2 SER 28 -4.353 -8.997 5.311 3 HG SER 28 HG SER 28 -4.966 -9.752 7.503 4 H SER 28 HN SER 28 -6.310 -10.254 5.254 5 HB3 SER 28 HB1 SER 28 -4.295 -7.406 6.071 No H/Q in entry = 5 In of MODEL 2 1 HA SER 29 HA SER 29 -7.053 -5.298 3.375 2 HB2 SER 29 HB2 SER 29 -9.444 -6.331 4.047 3 HG SER 29 HG SER 29 -8.667 -5.401 1.981 4 H SER 29 HN SER 29 -7.532 -6.081 6.163 5 HB3 SER 29 HB1 SER 29 -9.727 -4.649 4.494 No H/Q in entry = 5 In of MODEL 2 1 HA HIS 30 HA HIS 30 -6.529 -1.602 5.728 2 HB2 HIS 30 HB2 HIS 30 -3.890 -1.810 4.270 3 HD1 HIS 30 HD1 HIS 30 -1.954 -2.916 5.638 4 HD2 HIS 30 HD2 HIS 30 -5.762 -3.561 7.170 5 HE1 HIS 30 HE1 HIS 30 -1.702 -4.787 7.299 6 HE2 HIS 30 HE2 HIS 30 -4.003 -5.100 8.276 7 H HIS 30 HN HIS 30 -5.734 -3.602 3.731 8 HB3 HIS 30 HB1 HIS 30 -4.255 -0.809 5.671 No H/Q in entry = 8 In of MODEL 2 1 HA TYR 31 HA TYR 31 -6.317 -0.796 0.487 2 HB2 TYR 31 HB2 TYR 31 -8.133 0.648 2.427 3 HD1 TYR 31 HD1 TYR 31 -7.855 -1.836 -0.331 4 HD2 TYR 31 HD2 TYR 31 -10.239 -0.273 2.827 5 HE1 TYR 31 HE1 TYR 31 -9.466 -3.666 -0.650 6 HE2 TYR 31 HE2 TYR 31 -11.857 -2.099 2.517 7 HH TYR 31 HH TYR 31 -12.255 -3.799 0.015 8 H TYR 31 HN TYR 31 -5.911 -2.079 2.320 9 HB3 TYR 31 HB1 TYR 31 -8.112 0.931 0.689 No H/Q in entry = 9 In of MODEL 2 1 HA CYS 32 HA CYS 32 -3.130 2.151 1.413 2 HB2 CYS 32 HB2 CYS 32 -2.471 0.732 -0.742 3 H CYS 32 HN CYS 32 -4.496 0.223 -0.091 4 HB3 CYS 32 HB1 CYS 32 -2.926 2.223 -1.559 No H/Q in entry = 4 In of MODEL 2 1 HA THR 33 HA THR 33 -5.249 5.707 -0.043 2 HB THR 33 HB THR 33 -4.026 7.771 0.909 3 HG1 THR 33 HG1 THR 33 -1.964 7.135 1.095 4 HG22 THR 33 HG21 THR 33 -4.177 6.120 3.244 5 HG21 THR 33 HG22 THR 33 -5.536 5.791 2.169 6 HG23 THR 33 HG23 THR 33 -5.231 7.436 2.728 7 H THR 33 HN THR 33 -2.676 4.419 0.570 No H/Q in entry = 7 In of MODEL 2 1 HA3 GLY 34 HA2 GLY 34 -1.152 5.789 -3.201 2 H GLY 34 HN GLY 34 -1.892 5.448 -0.978 3 HA2 GLY 34 HA1 GLY 34 -2.538 6.832 -3.476 No H/Q in entry = 3 In of MODEL 2 1 HA ARG 35 HA ARG 35 0.463 9.719 -1.730 2 HB2 ARG 35 HB2 ARG 35 -0.526 8.924 0.962 3 HG2 ARG 35 HG2 ARG 35 -1.614 10.532 -0.818 4 HD2 ARG 35 HD2 ARG 35 0.176 12.366 0.771 5 HE ARG 35 HE ARG 35 -2.245 12.925 -0.639 6 HH11 ARG 35 HH11 ARG 35 0.900 14.199 0.175 7 HH12 ARG 35 HH12 ARG 35 0.411 15.852 0.012 8 HH21 ARG 35 HH21 ARG 35 -2.891 15.099 -0.854 9 HH22 ARG 35 HH22 ARG 35 -1.741 16.363 -0.571 10 H ARG 35 HN ARG 35 -0.549 7.178 -0.637 11 HB3 ARG 35 HB1 ARG 35 0.780 10.099 0.892 12 HG3 ARG 35 HG1 ARG 35 -1.734 10.849 0.914 13 HD3 ARG 35 HD1 ARG 35 0.312 12.040 -0.956 No H/Q in entry = 13 In of MODEL 2 1 HA SER 36 HA SER 36 4.055 7.075 -0.757 2 HB2 SER 36 HB2 SER 36 3.574 6.771 2.195 3 HG SER 36 HG SER 36 4.149 9.240 0.938 4 H SER 36 HN SER 36 1.293 6.790 0.005 5 HB3 SER 36 HB1 SER 36 5.049 7.251 1.356 No H/Q in entry = 5 In of MODEL 2 1 HA CYS 37 HA CYS 37 3.990 2.774 -0.505 2 HB2 CYS 37 HB2 CYS 37 6.705 3.125 0.783 3 H CYS 37 HN CYS 37 5.357 5.170 0.214 4 HB3 CYS 37 HB1 CYS 37 6.109 1.653 0.025 No H/Q in entry = 4 In of MODEL 2 1 HA GLU 38 HA GLU 38 4.482 2.195 4.270 2 HB2 GLU 38 HB2 GLU 38 5.291 4.621 4.704 3 HG2 GLU 38 HG2 GLU 38 3.467 3.644 6.858 4 H GLU 38 HN GLU 38 4.793 4.342 2.509 5 HB3 GLU 38 HB1 GLU 38 3.589 4.977 4.964 6 HG3 GLU 38 HG1 GLU 38 4.917 2.737 6.431 No H/Q in entry = 6 In of MODEL 2 1 HA CYS 39 HA CYS 39 0.082 2.214 4.522 2 HB2 CYS 39 HB2 CYS 39 1.076 -0.623 4.227 3 H CYS 39 HN CYS 39 2.766 1.170 5.131 4 HB3 CYS 39 HB1 CYS 39 -0.632 -0.198 4.249 No H/Q in entry = 4 In of MODEL 2 1 HA PRO 40 HA PRO 40 0.441 1.804 9.109 2 HB2 PRO 40 HB2 PRO 40 -2.093 3.331 8.735 3 HG2 PRO 40 HG2 PRO 40 -1.048 5.147 7.719 4 HD2 PRO 40 HD2 PRO 40 -1.042 3.649 5.966 5 HB3 PRO 40 HB1 PRO 40 -0.769 3.609 9.872 6 HG3 PRO 40 HG1 PRO 40 0.559 4.647 8.278 7 HD3 PRO 40 HD1 PRO 40 0.715 3.854 6.120 No H/Q in entry = 7 In of MODEL 2 1 HA SER 41 HA SER 41 -2.567 -1.324 9.378 2 HB2 SER 41 HB2 SER 41 -0.716 -1.562 11.323 3 HG SER 41 HG SER 41 -1.376 -3.503 10.906 4 H SER 41 HN SER 41 -0.815 0.634 10.597 5 HB3 SER 41 HB1 SER 41 -2.155 -1.328 12.317 No H/Q in entry = 5 In of MODEL 2 1 HA TYR 42 HA TYR 42 -5.800 1.116 11.289 2 HB2 TYR 42 HB2 TYR 42 -4.569 3.124 10.078 3 HD1 TYR 42 HD1 TYR 42 -8.262 2.551 10.307 4 HD2 TYR 42 HD2 TYR 42 -4.897 4.807 11.606 5 HE1 TYR 42 HE1 TYR 42 -9.724 3.875 11.775 6 HE2 TYR 42 HE2 TYR 42 -6.350 6.136 13.079 7 HH TYR 42 HH TYR 42 -9.153 5.319 14.124 8 H TYR 42 HN TYR 42 -3.938 0.840 9.029 9 HB3 TYR 42 HB1 TYR 42 -5.890 2.944 8.928 No H/Q in entry = 9 In of MODEL 2 1 HA PRO 43 HA PRO 43 -8.119 -1.420 8.181 2 HB2 PRO 43 HB2 PRO 43 -9.365 -2.984 10.016 3 HG2 PRO 43 HG2 PRO 43 -8.542 -2.020 11.961 4 HD2 PRO 43 HD2 PRO 43 -6.710 -0.621 11.947 5 HB3 PRO 43 HB1 PRO 43 -7.749 -3.338 9.393 6 HG3 PRO 43 HG1 PRO 43 -7.297 -3.250 11.673 7 HD3 PRO 43 HD1 PRO 43 -5.770 -1.705 10.902 No H/Q in entry = 7 In of MODEL 2 1 HA3 GLY 44 HA2 GLY 44 -12.187 -0.268 10.136 2 H GLY 44 HN GLY 44 -10.635 -2.177 8.698 3 HA2 GLY 44 HA1 GLY 44 -12.167 0.106 8.420 No H/Q in entry = 3 In of MODEL 2 1 HA ASN 45 HA ASN 45 -14.922 -3.162 7.667 2 HB2 ASN 45 HB2 ASN 45 -13.742 -3.295 5.498 3 HD21 ASN 45 HD21 ASN 45 -13.766 -5.516 4.090 4 HD22 ASN 45 HD22 ASN 45 -15.236 -6.398 4.303 5 H ASN 45 HN ASN 45 -12.129 -2.531 7.416 6 HB3 ASN 45 HB1 ASN 45 -12.748 -4.603 6.133 No H/Q in entry = 6 In of MODEL 2 1 HA3 GLY 46 HA2 GLY 46 -14.314 -7.127 9.630 2 H GLY 46 HN GLY 46 -15.859 -4.943 8.595 3 HA2 GLY 46 HA1 GLY 46 -14.849 -6.031 10.895 No H/Q in entry = 3 In of MODEL 3 1 H1 ALA 1 HT1 ALA 1 11.701 13.444 -8.837 2 H2 ALA 1 HT3 ALA 1 10.216 12.925 -9.516 3 H3 ALA 1 HT2 ALA 1 10.415 12.957 -7.812 4 HA ALA 1 HA ALA 1 10.633 10.771 -8.329 5 HB3 ALA 1 HB1 ALA 1 10.705 10.560 -10.600 6 HB2 ALA 1 HB2 ALA 1 12.392 10.215 -10.221 7 HB1 ALA 1 HB3 ALA 1 11.926 11.818 -10.791 No H/Q in entry = 7 In of MODEL 3 1 HA MET 2 HA MET 2 14.752 11.551 -6.570 2 HB2 MET 2 HB2 MET 2 13.468 14.023 -5.491 3 H MET 2 HN MET 2 12.033 12.647 -6.646 4 HG2 MET 2 HG2 MET 2 15.117 13.630 -7.590 5 HE1 MET 2 HE1 MET 2 16.901 11.731 -6.863 6 HB3 MET 2 HB1 MET 2 14.885 13.382 -4.670 7 HE3 MET 2 HE2 MET 2 16.582 11.918 -5.139 8 HE2 MET 2 HE3 MET 2 18.234 12.024 -5.746 9 HG3 MET 2 HG1 MET 2 14.973 15.146 -6.702 No H/Q in entry = 9 In of MODEL 3 1 HA ASP 3 HA ASP 3 12.761 10.669 -2.325 2 HB2 ASP 3 HB2 ASP 3 10.040 11.027 -3.521 3 H ASP 3 HN ASP 3 11.763 11.725 -4.760 4 HB3 ASP 3 HB1 ASP 3 10.221 10.028 -2.082 No H/Q in entry = 4 In of MODEL 3 1 HA CYS 4 HA CYS 4 11.089 7.044 -5.878 2 HB2 CYS 4 HB2 CYS 4 13.586 7.267 -5.605 3 H CYS 4 HN CYS 4 11.199 9.193 -5.143 4 HB3 CYS 4 HB1 CYS 4 13.416 6.510 -4.025 No H/Q in entry = 4 In of MODEL 3 1 HA THR 5 HA THR 5 8.729 5.876 -2.194 2 HB THR 5 HB THR 5 6.562 4.811 -3.339 3 HG1 THR 5 HG1 THR 5 7.219 5.114 -5.456 4 HG21 THR 5 HG21 THR 5 7.133 7.259 -2.133 5 HG23 THR 5 HG22 THR 5 5.547 6.542 -2.419 6 HG22 THR 5 HG23 THR 5 6.242 7.647 -3.605 7 H THR 5 HN THR 5 9.061 6.745 -4.841 No H/Q in entry = 7 In of MODEL 3 1 HA THR 6 HA THR 6 8.963 1.500 -2.771 2 HB THR 6 HB THR 6 11.360 2.302 -1.109 3 HG1 THR 6 HG1 THR 6 12.260 2.897 -2.906 4 HG22 THR 6 HG21 THR 6 12.351 0.271 -2.309 5 HG21 THR 6 HG22 THR 6 10.675 -0.215 -2.569 6 HG23 THR 6 HG23 THR 6 11.289 -0.008 -0.929 7 H THR 6 HN THR 6 8.957 3.957 -1.224 No H/Q in entry = 7 In of MODEL 3 1 HA3 GLY 7 HA2 GLY 7 8.454 -0.787 1.025 2 H GLY 7 HN GLY 7 8.169 -0.183 -1.635 3 HA2 GLY 7 HA1 GLY 7 7.091 0.321 0.972 No H/Q in entry = 3 In of MODEL 3 1 HA PRO 8 HA PRO 8 5.606 -4.140 0.552 2 HB2 PRO 8 HB2 PRO 8 3.390 -2.801 2.029 3 HG2 PRO 8 HG2 PRO 8 4.664 -2.401 3.935 4 HD2 PRO 8 HD2 PRO 8 5.486 -0.752 2.548 5 HB3 PRO 8 HB1 PRO 8 4.100 -4.401 2.273 6 HG3 PRO 8 HG1 PRO 8 5.913 -3.564 3.452 7 HD3 PRO 8 HD1 PRO 8 7.003 -1.639 2.806 No H/Q in entry = 7 In of MODEL 3 1 HA CYS 9 HA CYS 9 1.882 -2.299 -1.595 2 HB2 CYS 9 HB2 CYS 9 1.033 -0.762 0.181 3 H CYS 9 HN CYS 9 3.520 -1.240 0.508 4 HB3 CYS 9 HB1 CYS 9 1.991 0.531 -0.533 No H/Q in entry = 4 In of MODEL 3 1 HA CYS 10 HA CYS 10 4.036 1.251 -4.035 2 HB2 CYS 10 HB2 CYS 10 6.359 1.362 -2.102 3 H CYS 10 HN CYS 10 4.140 0.451 -1.380 4 HB3 CYS 10 HB1 CYS 10 6.295 2.229 -3.633 No H/Q in entry = 4 In of MODEL 3 1 HA ARG 11 HA ARG 11 6.762 -1.732 -5.779 2 HB2 ARG 11 HB2 ARG 11 5.136 -0.268 -7.624 3 HG2 ARG 11 HG2 ARG 11 4.832 -2.636 -7.106 4 HD2 ARG 11 HD2 ARG 11 7.149 -3.273 -8.886 5 HE ARG 11 HE ARG 11 6.470 -5.086 -6.795 6 HH11 ARG 11 HH11 ARG 11 5.512 -3.992 -9.968 7 HH12 ARG 11 HH12 ARG 11 4.736 -5.483 -10.385 8 HH21 ARG 11 HH21 ARG 11 5.450 -7.048 -7.342 9 HH22 ARG 11 HH22 ARG 11 4.701 -7.218 -8.894 10 H ARG 11 HN ARG 11 5.738 1.029 -5.697 11 HB3 ARG 11 HB1 ARG 11 6.672 -0.632 -8.397 12 HG3 ARG 11 HG1 ARG 11 5.017 -2.360 -8.839 13 HD3 ARG 11 HD1 ARG 11 7.396 -3.035 -7.157 No H/Q in entry = 13 In of MODEL 3 1 HA GLN 12 HA GLN 12 10.789 -0.567 -6.873 2 HB2 GLN 12 HB2 GLN 12 9.970 -1.356 -9.648 3 HG2 GLN 12 HG2 GLN 12 11.792 -3.027 -9.320 4 HE21 GLN 12 HE21 GLN 12 10.802 -3.555 -6.216 5 HE22 GLN 12 HE22 GLN 12 9.394 -4.508 -6.527 6 H GLN 12 HN GLN 12 8.409 -1.516 -7.982 7 HB3 GLN 12 HB1 GLN 12 11.566 -0.676 -9.362 8 HG3 GLN 12 HG1 GLN 12 11.925 -2.467 -7.653 No H/Q in entry = 8 In of MODEL 3 1 HA CYS 13 HA CYS 13 10.641 3.827 -6.303 2 HB2 CYS 13 HB2 CYS 13 12.399 2.925 -8.137 3 H CYS 13 HN CYS 13 10.502 1.562 -6.171 4 HB3 CYS 13 HB1 CYS 13 11.322 3.836 -9.189 No H/Q in entry = 4 In of MODEL 3 1 HA LYS 14 HA LYS 14 6.747 5.041 -7.719 2 HB2 LYS 14 HB2 LYS 14 7.251 2.724 -9.432 3 HG2 LYS 14 HG2 LYS 14 7.319 5.410 -9.779 4 HD2 LYS 14 HD2 LYS 14 4.615 4.471 -10.476 5 HE2 LYS 14 HE2 LYS 14 5.631 6.609 -12.237 6 HZ1 LYS 14 HZ1 LYS 14 3.823 4.294 -12.680 7 HZ3 LYS 14 HZ2 LYS 14 4.110 5.544 -13.782 8 HZ2 LYS 14 HZ3 LYS 14 3.335 5.873 -12.315 9 H LYS 14 HN LYS 14 8.120 2.924 -6.503 10 HB3 LYS 14 HB1 LYS 14 5.543 3.121 -9.300 11 HG3 LYS 14 HG1 LYS 14 7.236 4.227 -11.086 12 HD3 LYS 14 HD1 LYS 14 5.188 6.092 -10.080 13 HE3 LYS 14 HE1 LYS 14 6.147 4.970 -12.633 No H/Q in entry = 13 In of MODEL 3 1 HA LEU 15 HA LEU 15 4.273 3.137 -4.605 2 HB2 LEU 15 HB2 LEU 15 2.648 4.804 -3.763 3 HG LEU 15 HG LEU 15 3.624 6.405 -6.073 4 HD12 LEU 15 HD11 LEU 15 1.067 6.934 -4.705 5 HD11 LEU 15 HD12 LEU 15 1.239 5.340 -5.440 6 HD13 LEU 15 HD13 LEU 15 1.431 6.791 -6.425 7 HD22 LEU 15 HD21 LEU 15 4.427 7.968 -4.647 8 HD21 LEU 15 HD22 LEU 15 3.469 7.381 -3.287 9 HD23 LEU 15 HD23 LEU 15 2.720 8.391 -4.524 10 H LEU 15 HN LEU 15 5.250 5.262 -6.195 11 HB3 LEU 15 HB1 LEU 15 4.309 5.363 -3.715 No H/Q in entry = 11 In of MODEL 3 1 HA LYS 16 HA LYS 16 0.822 1.986 -6.967 2 HB2 LYS 16 HB2 LYS 16 -0.133 1.357 -4.170 3 HG2 LYS 16 HG2 LYS 16 2.006 0.264 -4.989 4 HD2 LYS 16 HD2 LYS 16 0.269 -1.572 -6.554 5 HE2 LYS 16 HE2 LYS 16 2.627 -1.287 -7.870 6 HZ1 LYS 16 HZ1 LYS 16 1.403 -3.281 -6.643 7 HZ3 LYS 16 HZ2 LYS 16 2.708 -3.086 -5.585 8 HZ2 LYS 16 HZ3 LYS 16 2.988 -3.402 -7.222 9 H LYS 16 HN LYS 16 1.845 2.758 -4.356 10 HB3 LYS 16 HB1 LYS 16 -0.886 0.744 -5.636 11 HG3 LYS 16 HG1 LYS 16 0.714 -0.806 -4.442 12 HD3 LYS 16 HD1 LYS 16 0.813 -0.081 -7.325 13 HE3 LYS 16 HE1 LYS 16 3.122 -0.970 -6.208 No H/Q in entry = 13 In of MODEL 3 1 HA PRO 17 HA PRO 17 -2.076 5.265 -7.517 2 HB2 PRO 17 HB2 PRO 17 -4.026 3.132 -8.228 3 HG2 PRO 17 HG2 PRO 17 -2.664 2.151 -9.839 4 HD2 PRO 17 HD2 PRO 17 -1.657 1.372 -7.912 5 HB3 PRO 17 HB1 PRO 17 -3.543 4.565 -9.141 6 HG3 PRO 17 HG1 PRO 17 -1.604 3.570 -9.934 7 HD3 PRO 17 HD1 PRO 17 -0.271 2.251 -8.591 No H/Q in entry = 7 In of MODEL 3 1 HA ALA 18 HA ALA 18 -4.316 5.442 -3.816 2 HB1 ALA 18 HB1 ALA 18 -4.531 7.781 -5.132 3 HB2 ALA 18 HB2 ALA 18 -5.316 7.452 -3.587 4 HB3 ALA 18 HB3 ALA 18 -6.225 7.293 -5.089 5 H ALA 18 HN ALA 18 -3.699 6.280 -6.410 No H/Q in entry = 5 In of MODEL 3 1 HA3 GLY 19 HA2 GLY 19 -7.919 3.081 -3.116 2 H GLY 19 HN GLY 19 -5.502 3.736 -3.268 3 HA2 GLY 19 HA1 GLY 19 -7.914 3.145 -4.872 No H/Q in entry = 3 In of MODEL 3 1 HA THR 20 HA THR 20 -5.887 -0.713 -5.300 2 HB THR 20 HB THR 20 -3.073 0.203 -4.739 3 HG1 THR 20 HG1 THR 20 -4.453 0.443 -7.202 4 HG21 THR 20 HG21 THR 20 -4.308 -2.041 -6.240 5 HG23 THR 20 HG22 THR 20 -2.890 -2.022 -5.191 6 HG22 THR 20 HG23 THR 20 -2.789 -1.360 -6.822 7 H THR 20 HN THR 20 -5.175 1.970 -4.952 No H/Q in entry = 7 In of MODEL 3 1 HA THR 21 HA THR 21 -5.386 -2.414 -1.362 2 HB THR 21 HB THR 21 -4.892 -4.823 -1.344 3 HG1 THR 21 HG1 THR 21 -4.266 -4.515 -4.090 4 HG23 THR 21 HG21 THR 21 -7.107 -4.429 -1.980 5 HG22 THR 21 HG22 THR 21 -6.477 -5.556 -3.182 6 HG21 THR 21 HG23 THR 21 -6.636 -3.844 -3.575 7 H THR 21 HN THR 21 -4.794 -2.576 -4.174 No H/Q in entry = 7 In of MODEL 3 1 HA CYS 22 HA CYS 22 -1.166 -2.261 -0.227 2 HB2 CYS 22 HB2 CYS 22 -2.677 -1.324 1.661 3 H CYS 22 HN CYS 22 -3.887 -3.236 0.294 4 HB3 CYS 22 HB1 CYS 22 -2.288 -2.819 2.505 No H/Q in entry = 4 In of MODEL 3 1 HA TRP 23 HA TRP 23 -0.762 -6.728 0.690 2 HB2 TRP 23 HB2 TRP 23 -0.261 -5.701 2.987 3 HD1 TRP 23 HD1 TRP 23 0.986 -7.944 1.080 4 HE1 TRP 23 HE1 TRP 23 2.125 -9.995 2.139 5 HE3 TRP 23 HE3 TRP 23 -1.203 -7.793 5.698 6 HZ2 TRP 23 HZ2 TRP 23 2.098 -11.367 4.606 7 HZ3 TRP 23 HZ3 TRP 23 -0.592 -9.512 7.349 8 HH2 TRP 23 HH2 TRP 23 1.024 -11.262 6.813 9 H TRP 23 HN TRP 23 -2.899 -4.895 1.418 10 HB3 TRP 23 HB1 TRP 23 -1.650 -6.614 3.568 No H/Q in entry = 10 In of MODEL 3 1 HA ARG 24 HA ARG 24 -4.159 -9.510 1.310 2 HB2 ARG 24 HB2 ARG 24 -3.069 -9.800 -1.493 3 HG2 ARG 24 HG2 ARG 24 -5.724 -8.627 -0.959 4 HD2 ARG 24 HD2 ARG 24 -4.614 -8.968 -3.219 5 HE ARG 24 HE ARG 24 -2.684 -7.153 -2.109 6 HH11 ARG 24 HH11 ARG 24 -4.207 -8.259 -5.048 7 HH12 ARG 24 HH12 ARG 24 -2.891 -7.770 -6.062 8 HH21 ARG 24 HH21 ARG 24 -0.953 -6.508 -3.441 9 HH22 ARG 24 HH22 ARG 24 -1.043 -6.777 -5.150 10 H ARG 24 HN ARG 24 -1.428 -8.841 0.494 11 HB3 ARG 24 HB1 ARG 24 -4.550 -10.562 -0.931 12 HG3 ARG 24 HG1 ARG 24 -4.323 -7.641 -0.536 13 HD3 ARG 24 HD1 ARG 24 -5.265 -7.364 -2.884 No H/Q in entry = 13 In of MODEL 3 1 HA THR 25 HA THR 25 -1.837 -13.202 1.911 2 HB THR 25 HB THR 25 -2.420 -13.881 4.424 3 HG1 THR 25 HG1 THR 25 -3.982 -12.116 4.516 4 HG23 THR 25 HG21 THR 25 -0.187 -13.295 3.743 5 HG22 THR 25 HG22 THR 25 -0.602 -12.444 5.231 6 HG21 THR 25 HG23 THR 25 -0.620 -11.586 3.690 7 H THR 25 HN THR 25 -3.820 -11.164 2.650 No H/Q in entry = 7 In of MODEL 3 1 HA SER 26 HA SER 26 -6.119 -14.927 1.341 2 HB2 SER 26 HB2 SER 26 -5.461 -15.408 4.199 3 HG SER 26 HG SER 26 -5.822 -17.171 2.007 4 H SER 26 HN SER 26 -5.201 -12.701 2.764 5 HB3 SER 26 HB1 SER 26 -6.983 -16.074 3.609 No H/Q in entry = 5 In of MODEL 3 1 HA VAL 27 HA VAL 27 -9.421 -12.385 3.120 2 HB VAL 27 HB VAL 27 -9.487 -13.742 5.171 3 H VAL 27 HN VAL 27 -6.677 -12.803 4.094 No H/Q in entry = 3 In of MODEL 3 1 HA SER 28 HA SER 28 -7.809 -8.395 5.007 2 HB2 SER 28 HB2 SER 28 -6.162 -9.494 6.702 3 HG SER 28 HG SER 28 -6.824 -7.204 6.558 4 H SER 28 HN SER 28 -6.745 -11.058 5.008 5 HB3 SER 28 HB1 SER 28 -4.921 -9.034 5.537 No H/Q in entry = 5 In of MODEL 3 1 HA SER 29 HA SER 29 -5.911 -7.714 1.071 2 HB2 SER 29 HB2 SER 29 -8.519 -7.824 0.667 3 HG SER 29 HG SER 29 -8.094 -6.868 -1.455 4 H SER 29 HN SER 29 -8.034 -7.465 3.054 5 HB3 SER 29 HB1 SER 29 -8.367 -6.068 0.613 No H/Q in entry = 5 In of MODEL 3 1 HA HIS 30 HA HIS 30 -6.742 -3.250 3.817 2 HB2 HIS 30 HB2 HIS 30 -4.194 -4.468 2.881 3 HD1 HIS 30 HD1 HIS 30 -2.850 -5.189 4.863 4 HD2 HIS 30 HD2 HIS 30 -5.948 -2.617 5.892 5 HE1 HIS 30 HE1 HIS 30 -2.898 -5.166 7.377 6 HE2 HIS 30 HE2 HIS 30 -4.836 -3.671 7.976 7 H HIS 30 HN HIS 30 -7.352 -5.356 3.212 8 HB3 HIS 30 HB1 HIS 30 -4.218 -2.722 3.104 No H/Q in entry = 8 In of MODEL 3 1 HA TYR 31 HA TYR 31 -5.884 -0.974 -0.069 2 HB2 TYR 31 HB2 TYR 31 -7.503 0.771 1.796 3 HD1 TYR 31 HD1 TYR 31 -8.384 -1.221 -1.210 4 HD2 TYR 31 HD2 TYR 31 -8.949 -0.659 2.969 5 HE1 TYR 31 HE1 TYR 31 -10.223 -2.853 -1.245 6 HE2 TYR 31 HE2 TYR 31 -10.789 -2.290 2.946 7 HH TYR 31 HH TYR 31 -12.484 -3.125 0.940 8 H TYR 31 HN TYR 31 -5.467 -1.193 2.782 9 HB3 TYR 31 HB1 TYR 31 -7.515 0.818 0.036 No H/Q in entry = 9 In of MODEL 3 1 HA CYS 32 HA CYS 32 -2.432 1.570 0.732 2 HB2 CYS 32 HB2 CYS 32 -2.600 0.857 -1.916 3 H CYS 32 HN CYS 32 -4.328 0.269 -0.867 4 HB3 CYS 32 HB1 CYS 32 -2.664 2.613 -2.003 No H/Q in entry = 4 In of MODEL 3 1 HA THR 33 HA THR 33 -4.198 5.489 1.230 2 HB THR 33 HB THR 33 -2.339 5.751 2.704 3 HG1 THR 33 HG1 THR 33 -2.906 7.761 2.705 4 HG23 THR 33 HG21 THR 33 -0.466 5.051 1.458 5 HG22 THR 33 HG22 THR 33 -0.185 6.741 1.878 6 HG21 THR 33 HG23 THR 33 -0.708 6.312 0.249 7 H THR 33 HN THR 33 -1.860 3.908 0.595 No H/Q in entry = 7 In of MODEL 3 1 HA3 GLY 34 HA2 GLY 34 -1.948 6.117 -3.461 2 H GLY 34 HN GLY 34 -1.679 5.405 -1.241 3 HA2 GLY 34 HA1 GLY 34 -3.389 6.999 -2.981 No H/Q in entry = 3 In of MODEL 3 1 HA ARG 35 HA ARG 35 0.667 9.520 -2.868 2 HB2 ARG 35 HB2 ARG 35 0.437 11.060 -0.860 3 HG2 ARG 35 HG2 ARG 35 -1.300 8.812 0.034 4 HD2 ARG 35 HD2 ARG 35 -1.905 11.720 0.230 5 HE ARG 35 HE ARG 35 -1.765 10.173 2.552 6 HH11 ARG 35 HH11 ARG 35 -4.053 12.191 0.857 7 HH12 ARG 35 HH12 ARG 35 -4.893 12.662 2.296 8 HH21 ARG 35 HH21 ARG 35 -2.869 10.792 4.446 9 HH22 ARG 35 HH22 ARG 35 -4.221 11.868 4.333 10 H ARG 35 HN ARG 35 -0.150 7.166 -1.565 11 HB3 ARG 35 HB1 ARG 35 -1.040 10.715 -1.750 12 HG3 ARG 35 HG1 ARG 35 -0.215 9.842 0.971 13 HD3 ARG 35 HD1 ARG 35 -3.001 10.351 0.046 No H/Q in entry = 13 In of MODEL 3 1 HA SER 36 HA SER 36 3.693 7.891 0.085 2 HB2 SER 36 HB2 SER 36 2.247 9.155 1.963 3 HG SER 36 HG SER 36 4.257 9.495 2.438 4 H SER 36 HN SER 36 0.761 7.659 0.122 5 HB3 SER 36 HB1 SER 36 2.369 7.570 2.725 No H/Q in entry = 5 In of MODEL 3 1 HA CYS 37 HA CYS 37 3.622 3.584 0.338 2 HB2 CYS 37 HB2 CYS 37 6.299 4.252 1.573 3 H CYS 37 HN CYS 37 4.841 6.091 0.943 4 HB3 CYS 37 HB1 CYS 37 5.805 2.632 1.092 No H/Q in entry = 4 In of MODEL 3 1 HA GLU 38 HA GLU 38 3.972 3.475 5.179 2 HB2 GLU 38 HB2 GLU 38 2.681 6.207 5.272 3 HG2 GLU 38 HG2 GLU 38 5.468 5.314 5.952 4 H GLU 38 HN GLU 38 4.012 5.449 3.215 5 HB3 GLU 38 HB1 GLU 38 3.060 5.204 6.666 6 HG3 GLU 38 HG1 GLU 38 4.980 6.535 4.778 No H/Q in entry = 6 In of MODEL 3 1 HA CYS 39 HA CYS 39 -0.276 2.409 4.851 2 HB2 CYS 39 HB2 CYS 39 1.314 0.426 3.942 3 H CYS 39 HN CYS 39 2.530 1.959 5.629 4 HB3 CYS 39 HB1 CYS 39 0.654 -0.354 5.376 No H/Q in entry = 4 In of MODEL 3 1 HA PRO 40 HA PRO 40 -0.381 2.611 9.462 2 HB2 PRO 40 HB2 PRO 40 -3.134 3.430 8.660 3 HG2 PRO 40 HG2 PRO 40 -2.417 5.317 7.500 4 HD2 PRO 40 HD2 PRO 40 -1.861 3.679 5.977 5 HB3 PRO 40 HB1 PRO 40 -2.052 4.145 9.861 6 HG3 PRO 40 HG1 PRO 40 -0.816 5.285 8.263 7 HD3 PRO 40 HD1 PRO 40 -0.228 4.315 6.258 No H/Q in entry = 7 In of MODEL 3 1 HA SER 41 HA SER 41 -2.548 -1.180 9.691 2 HB2 SER 41 HB2 SER 41 -0.485 -1.514 11.086 3 HG SER 41 HG SER 41 -1.347 -3.255 12.194 4 H SER 41 HN SER 41 -1.033 1.027 10.798 5 HB3 SER 41 HB1 SER 41 -1.391 -0.912 12.474 No H/Q in entry = 5 In of MODEL 3 1 HA TYR 42 HA TYR 42 -6.269 -0.113 11.609 2 HB2 TYR 42 HB2 TYR 42 -4.763 1.925 12.488 3 HD1 TYR 42 HD1 TYR 42 -5.236 1.453 14.700 4 HD2 TYR 42 HD2 TYR 42 -8.461 2.191 12.025 5 HE1 TYR 42 HE1 TYR 42 -6.817 1.320 16.578 6 HE2 TYR 42 HE2 TYR 42 -10.051 2.061 13.896 7 HH TYR 42 HH TYR 42 -10.090 2.285 16.299 8 H TYR 42 HN TYR 42 -4.325 0.698 9.656 9 HB3 TYR 42 HB1 TYR 42 -5.941 2.841 11.554 No H/Q in entry = 9 In of MODEL 3 1 HA PRO 43 HA PRO 43 -7.935 1.015 7.433 2 HB2 PRO 43 HB2 PRO 43 -9.520 -1.173 7.193 3 HG2 PRO 43 HG2 PRO 43 -9.099 -2.178 9.244 4 HD2 PRO 43 HD2 PRO 43 -7.301 -1.571 10.550 5 HB3 PRO 43 HB1 PRO 43 -7.813 -1.172 6.734 6 HG3 PRO 43 HG1 PRO 43 -7.824 -2.925 8.264 7 HD3 PRO 43 HD1 PRO 43 -6.172 -1.606 9.181 No H/Q in entry = 7 In of MODEL 3 1 HA3 GLY 44 HA2 GLY 44 -11.927 1.888 9.064 2 H GLY 44 HN GLY 44 -10.488 0.592 6.840 3 HA2 GLY 44 HA1 GLY 44 -12.308 2.098 7.362 No H/Q in entry = 3 In of MODEL 3 1 HA ASN 45 HA ASN 45 -14.672 -1.450 9.156 2 HB2 ASN 45 HB2 ASN 45 -12.955 -2.415 7.327 3 HD21 ASN 45 HD21 ASN 45 -15.500 -1.817 7.284 4 HD22 ASN 45 HD22 ASN 45 -16.493 -3.203 7.006 5 H ASN 45 HN ASN 45 -11.938 -0.644 9.616 6 HB3 ASN 45 HB1 ASN 45 -12.736 -3.628 8.585 No H/Q in entry = 6 In of MODEL 3 1 HA3 GLY 46 HA2 GLY 46 -11.022 -3.183 12.570 2 H GLY 46 HN GLY 46 -11.558 -2.768 10.309 3 HA2 GLY 46 HA1 GLY 46 -12.728 -3.065 12.973 No H/Q in entry = 3 In of MODEL 4 1 H1 ALA 1 HT3 ALA 1 17.325 15.189 -7.682 2 H2 ALA 1 HT2 ALA 1 16.723 15.049 -9.283 3 H3 ALA 1 HT1 ALA 1 15.648 15.368 -7.983 4 HA ALA 1 HA ALA 1 15.385 13.150 -8.510 5 HB1 ALA 1 HB1 ALA 1 17.267 12.697 -9.852 6 HB2 ALA 1 HB2 ALA 1 17.409 11.623 -8.461 7 HB3 ALA 1 HB3 ALA 1 18.390 13.087 -8.549 No H/Q in entry = 7 In of MODEL 4 1 HA MET 2 HA MET 2 15.710 12.138 -4.300 2 HB2 MET 2 HB2 MET 2 15.080 13.921 -2.673 3 H MET 2 HN MET 2 14.366 13.517 -6.480 4 HG2 MET 2 HG2 MET 2 14.657 15.610 -5.127 5 HE3 MET 2 HE1 MET 2 13.321 18.453 -3.969 6 HB3 MET 2 HB1 MET 2 16.320 14.412 -3.818 7 HE2 MET 2 HE2 MET 2 12.970 18.134 -2.271 8 HE1 MET 2 HE3 MET 2 12.440 16.996 -3.510 9 HG3 MET 2 HG1 MET 2 13.395 15.094 -4.009 No H/Q in entry = 9 In of MODEL 4 1 HA ASP 3 HA ASP 3 12.197 10.995 -1.616 2 HB2 ASP 3 HB2 ASP 3 11.241 13.101 -3.514 3 H ASP 3 HN ASP 3 14.144 11.862 -2.407 4 HB3 ASP 3 HB1 ASP 3 10.068 11.997 -2.802 No H/Q in entry = 4 In of MODEL 4 1 HA CYS 4 HA CYS 4 10.742 8.076 -4.531 2 HB2 CYS 4 HB2 CYS 4 13.297 7.887 -4.720 3 H CYS 4 HN CYS 4 12.092 8.882 -2.062 4 HB3 CYS 4 HB1 CYS 4 13.164 6.574 -3.555 No H/Q in entry = 4 In of MODEL 4 1 HA THR 5 HA THR 5 8.623 6.023 -1.233 2 HB THR 5 HB THR 5 6.709 6.805 -2.476 3 HG1 THR 5 HG1 THR 5 5.638 5.327 -1.478 4 HG21 THR 5 HG21 THR 5 7.445 4.706 -4.488 5 HG23 THR 5 HG22 THR 5 7.230 6.439 -4.739 6 HG22 THR 5 HG23 THR 5 5.835 5.420 -4.387 7 H THR 5 HN THR 5 8.941 7.177 -3.763 No H/Q in entry = 7 In of MODEL 4 1 HA THR 6 HA THR 6 9.166 1.731 -2.389 2 HB THR 6 HB THR 6 10.960 0.974 -0.704 3 HG1 THR 6 HG1 THR 6 10.938 3.738 -0.088 4 HG23 THR 6 HG21 THR 6 11.565 1.770 -2.921 5 HG22 THR 6 HG22 THR 6 12.718 2.317 -1.704 6 HG21 THR 6 HG23 THR 6 11.513 3.435 -2.343 7 H THR 6 HN THR 6 8.392 3.852 -0.577 No H/Q in entry = 7 In of MODEL 4 1 HA3 GLY 7 HA2 GLY 7 7.971 -1.567 0.453 2 H GLY 7 HN GLY 7 8.492 -0.285 -1.720 3 HA2 GLY 7 HA1 GLY 7 6.799 -0.279 0.689 No H/Q in entry = 3 In of MODEL 4 1 HA PRO 8 HA PRO 8 4.887 -3.721 -1.857 2 HB2 PRO 8 HB2 PRO 8 3.206 -4.777 -0.058 3 HG2 PRO 8 HG2 PRO 8 3.548 -3.352 1.740 4 HD2 PRO 8 HD2 PRO 8 5.319 -1.906 1.779 5 HB3 PRO 8 HB1 PRO 8 4.906 -5.257 -0.126 6 HG3 PRO 8 HG1 PRO 8 4.774 -4.583 2.094 7 HD3 PRO 8 HD1 PRO 8 6.499 -3.202 1.502 No H/Q in entry = 7 In of MODEL 4 1 HA CYS 9 HA CYS 9 1.581 -1.094 -2.846 2 HB2 CYS 9 HB2 CYS 9 1.856 -0.712 -0.101 3 H CYS 9 HN CYS 9 4.276 -1.083 -2.132 4 HB3 CYS 9 HB1 CYS 9 1.614 0.912 -0.737 No H/Q in entry = 4 In of MODEL 4 1 HA CYS 10 HA CYS 10 3.369 2.181 -5.070 2 HB2 CYS 10 HB2 CYS 10 5.342 3.487 -4.246 3 H CYS 10 HN CYS 10 4.081 -0.305 -3.925 4 HB3 CYS 10 HB1 CYS 10 4.126 3.168 -3.014 No H/Q in entry = 4 In of MODEL 4 1 HA ARG 11 HA ARG 11 5.889 0.464 -8.128 2 HB2 ARG 11 HB2 ARG 11 5.249 3.257 -8.815 3 HG2 ARG 11 HG2 ARG 11 5.320 0.710 -10.418 4 HD2 ARG 11 HD2 ARG 11 3.688 2.294 -11.798 5 HE ARG 11 HE ARG 11 6.400 2.829 -12.540 6 HH11 ARG 11 HH11 ARG 11 3.954 0.346 -12.358 7 HH12 ARG 11 HH12 ARG 11 4.658 -0.615 -13.614 8 HH21 ARG 11 HH21 ARG 11 7.327 1.566 -14.193 9 HH22 ARG 11 HH22 ARG 11 6.574 0.077 -14.656 10 H ARG 11 HN ARG 11 4.514 2.590 -6.928 11 HB3 ARG 11 HB1 ARG 11 6.676 2.613 -9.614 12 HG3 ARG 11 HG1 ARG 11 3.896 1.461 -9.695 13 HD3 ARG 11 HD1 ARG 11 4.748 3.533 -11.126 No H/Q in entry = 13 In of MODEL 4 1 HA GLN 12 HA GLN 12 10.129 0.916 -7.448 2 HB2 GLN 12 HB2 GLN 12 10.063 1.784 -10.295 3 HG2 GLN 12 HG2 GLN 12 10.236 -0.639 -9.323 4 HE21 GLN 12 HE21 GLN 12 11.369 -1.803 -7.964 5 HE22 GLN 12 HE22 GLN 12 13.061 -1.654 -7.648 6 H GLN 12 HN GLN 12 8.123 1.285 -9.340 7 HB3 GLN 12 HB1 GLN 12 11.557 2.029 -9.403 8 HG3 GLN 12 HG1 GLN 12 11.150 -0.165 -10.754 No H/Q in entry = 8 In of MODEL 4 1 HA CYS 13 HA CYS 13 9.793 5.349 -6.450 2 HB2 CYS 13 HB2 CYS 13 11.322 5.316 -8.682 3 H CYS 13 HN CYS 13 8.617 3.841 -8.595 4 HB3 CYS 13 HB1 CYS 13 10.271 6.679 -9.051 No H/Q in entry = 4 In of MODEL 4 1 HA LYS 14 HA LYS 14 5.965 7.245 -7.475 2 HB2 LYS 14 HB2 LYS 14 6.111 5.880 -9.767 3 HG2 LYS 14 HG2 LYS 14 3.973 7.666 -8.735 4 HD2 LYS 14 HD2 LYS 14 3.328 7.555 -11.347 5 HE2 LYS 14 HE2 LYS 14 1.361 6.246 -10.691 6 HZ3 LYS 14 HZ1 LYS 14 1.964 7.955 -8.372 7 HZ2 LYS 14 HZ2 LYS 14 0.513 7.783 -9.224 8 HZ1 LYS 14 HZ3 LYS 14 1.795 8.649 -9.906 9 H LYS 14 HN LYS 14 7.149 4.571 -7.367 10 HB3 LYS 14 HB1 LYS 14 4.651 5.145 -9.121 11 HG3 LYS 14 HG1 LYS 14 5.133 7.925 -10.039 12 HD3 LYS 14 HD1 LYS 14 3.731 5.862 -11.057 13 HE3 LYS 14 HE1 LYS 14 2.157 5.819 -9.178 No H/Q in entry = 13 In of MODEL 4 1 HA LEU 15 HA LEU 15 3.273 5.318 -4.667 2 HB2 LEU 15 HB2 LEU 15 3.085 8.017 -4.596 3 HG LEU 15 HG LEU 15 1.624 7.829 -2.595 4 HD12 LEU 15 HD11 LEU 15 1.669 4.872 -2.802 5 HD11 LEU 15 HD12 LEU 15 0.462 5.743 -3.748 6 HD13 LEU 15 HD13 LEU 15 0.518 5.936 -1.996 7 HD22 LEU 15 HD21 LEU 15 3.809 7.602 -1.969 8 HD21 LEU 15 HD22 LEU 15 4.073 6.192 -2.994 9 HD23 LEU 15 HD23 LEU 15 3.191 6.025 -1.476 10 H LEU 15 HN LEU 15 3.801 7.350 -6.678 11 HB3 LEU 15 HB1 LEU 15 1.423 7.600 -4.968 No H/Q in entry = 11 In of MODEL 4 1 HA LYS 16 HA LYS 16 0.176 3.499 -7.106 2 HB2 LYS 16 HB2 LYS 16 0.615 2.088 -4.617 3 HG2 LYS 16 HG2 LYS 16 -0.139 0.135 -6.135 4 HD2 LYS 16 HD2 LYS 16 2.274 1.839 -6.736 5 HE2 LYS 16 HE2 LYS 16 1.352 -0.729 -7.856 6 HZ1 LYS 16 HZ1 LYS 16 3.262 -1.293 -6.336 7 HZ3 LYS 16 HZ2 LYS 16 4.239 -0.340 -7.335 8 HZ2 LYS 16 HZ3 LYS 16 3.466 -1.707 -7.964 9 H LYS 16 HN LYS 16 1.540 3.970 -4.628 10 HB3 LYS 16 HB1 LYS 16 -1.068 1.970 -5.113 11 HG3 LYS 16 HG1 LYS 16 -0.072 1.338 -7.425 12 HD3 LYS 16 HD1 LYS 16 2.177 0.489 -5.603 13 HE3 LYS 16 HE1 LYS 16 2.421 0.491 -8.545 No H/Q in entry = 13 In of MODEL 4 1 HA PRO 17 HA PRO 17 -3.631 5.618 -6.472 2 HB2 PRO 17 HB2 PRO 17 -5.541 3.795 -7.111 3 HG2 PRO 17 HG2 PRO 17 -4.259 1.861 -7.047 4 HD2 PRO 17 HD2 PRO 17 -1.955 1.925 -7.065 5 HB3 PRO 17 HB1 PRO 17 -4.500 4.561 -8.317 6 HG3 PRO 17 HG1 PRO 17 -4.038 2.322 -8.745 7 HD3 PRO 17 HD1 PRO 17 -1.902 3.114 -8.382 No H/Q in entry = 7 In of MODEL 4 1 HA ALA 18 HA ALA 18 -4.946 4.638 -2.443 2 HB1 ALA 18 HB1 ALA 18 -5.167 7.111 -2.580 3 HB2 ALA 18 HB2 ALA 18 -6.366 6.348 -1.534 4 HB3 ALA 18 HB3 ALA 18 -6.822 6.890 -3.149 5 H ALA 18 HN ALA 18 -5.078 6.103 -4.889 No H/Q in entry = 5 In of MODEL 4 1 HA3 GLY 19 HA2 GLY 19 -8.160 1.790 -1.716 2 H GLY 19 HN GLY 19 -5.945 2.733 -2.252 3 HA2 GLY 19 HA1 GLY 19 -8.746 2.560 -3.182 No H/Q in entry = 3 In of MODEL 4 1 HA THR 20 HA THR 20 -6.750 -1.236 -4.659 2 HB THR 20 HB THR 20 -5.174 0.310 -5.796 3 HG1 THR 20 HG1 THR 20 -4.851 -1.465 -6.849 4 HG21 THR 20 HG21 THR 20 -3.736 0.783 -3.814 5 HG23 THR 20 HG22 THR 20 -2.858 0.369 -5.287 6 HG22 THR 20 HG23 THR 20 -3.047 -0.829 -4.007 7 H THR 20 HN THR 20 -5.685 0.852 -2.871 No H/Q in entry = 7 In of MODEL 4 1 HA THR 21 HA THR 21 -5.257 -4.295 -2.033 2 HB THR 21 HB THR 21 -3.710 -6.066 -3.298 3 HG1 THR 21 HG1 THR 21 -3.327 -5.237 -5.212 4 HG21 THR 21 HG21 THR 21 -6.633 -5.604 -3.460 5 HG23 THR 21 HG22 THR 21 -5.732 -6.947 -2.756 6 HG22 THR 21 HG23 THR 21 -5.916 -6.829 -4.506 7 H THR 21 HN THR 21 -5.208 -3.213 -4.643 No H/Q in entry = 7 In of MODEL 4 1 HA CYS 22 HA CYS 22 -0.862 -3.854 -1.340 2 HB2 CYS 22 HB2 CYS 22 -2.125 -2.399 0.221 3 H CYS 22 HN CYS 22 -3.428 -5.165 -0.837 4 HB3 CYS 22 HB1 CYS 22 -2.271 -3.753 1.336 No H/Q in entry = 4 In of MODEL 4 1 HA TRP 23 HA TRP 23 -0.666 -8.142 0.351 2 HB2 TRP 23 HB2 TRP 23 0.322 -6.731 2.172 3 HD1 TRP 23 HD1 TRP 23 1.692 -9.085 1.282 4 HE1 TRP 23 HE1 TRP 23 2.312 -11.130 2.716 5 HE3 TRP 23 HE3 TRP 23 -1.653 -8.448 5.096 6 HZ2 TRP 23 HZ2 TRP 23 1.492 -12.317 5.143 7 HZ3 TRP 23 HZ3 TRP 23 -1.670 -10.083 6.935 8 HH2 TRP 23 HH2 TRP 23 -0.130 -11.977 6.956 9 H TRP 23 HN TRP 23 -2.652 -6.103 0.749 10 HB3 TRP 23 HB1 TRP 23 -1.081 -7.114 3.165 No H/Q in entry = 10 In of MODEL 4 1 HA ARG 24 HA ARG 24 -4.771 -9.716 1.305 2 HB2 ARG 24 HB2 ARG 24 -5.700 -10.951 -0.666 3 HG2 ARG 24 HG2 ARG 24 -3.630 -9.656 -2.371 4 HD2 ARG 24 HD2 ARG 24 -4.334 -11.230 -3.987 5 HE ARG 24 HE ARG 24 -6.197 -9.532 -3.014 6 HH11 ARG 24 HH11 ARG 24 -6.364 -12.779 -4.282 7 HH12 ARG 24 HH12 ARG 24 -7.970 -12.589 -4.900 8 HH21 ARG 24 HH21 ARG 24 -8.309 -9.280 -3.827 9 HH22 ARG 24 HH22 ARG 24 -9.075 -10.602 -4.643 10 H ARG 24 HN ARG 24 -2.616 -9.082 -0.519 11 HB3 ARG 24 HB1 ARG 24 -5.398 -9.243 -0.957 12 HG3 ARG 24 HG1 ARG 24 -3.311 -11.248 -1.679 13 HD3 ARG 24 HD1 ARG 24 -5.170 -12.205 -2.780 No H/Q in entry = 13 In of MODEL 4 1 HA THR 25 HA THR 25 -3.678 -14.009 1.561 2 HB THR 25 HB THR 25 -2.590 -14.343 3.674 3 HG1 THR 25 HG1 THR 25 -2.959 -13.129 5.408 4 HG21 THR 25 HG21 THR 25 -1.383 -12.875 2.094 5 HG23 THR 25 HG22 THR 25 -0.992 -12.568 3.786 6 HG22 THR 25 HG23 THR 25 -2.075 -11.479 2.919 7 H THR 25 HN THR 25 -5.144 -11.626 2.297 No H/Q in entry = 7 In of MODEL 4 1 HA SER 26 HA SER 26 -7.066 -15.721 3.738 2 HB2 SER 26 HB2 SER 26 -6.713 -18.066 4.522 3 HG SER 26 HG SER 26 -4.010 -17.836 3.841 4 H SER 26 HN SER 26 -4.141 -15.592 3.718 5 HB3 SER 26 HB1 SER 26 -5.971 -17.735 2.957 No H/Q in entry = 5 In of MODEL 4 1 HA VAL 27 HA VAL 27 -6.404 -14.898 8.068 2 HB VAL 27 HB VAL 27 -4.170 -12.921 7.618 3 H VAL 27 HN VAL 27 -5.559 -13.870 5.438 No H/Q in entry = 3 In of MODEL 4 1 HA SER 28 HA SER 28 -8.449 -10.904 7.010 2 HB2 SER 28 HB2 SER 28 -7.634 -9.019 8.153 3 HG SER 28 HG SER 28 -4.992 -9.669 7.363 4 H SER 28 HN SER 28 -6.024 -12.051 6.019 5 HB3 SER 28 HB1 SER 28 -6.624 -10.334 8.752 No H/Q in entry = 5 In of MODEL 4 1 HA SER 29 HA SER 29 -7.167 -8.377 3.492 2 HB2 SER 29 HB2 SER 29 -9.983 -7.724 4.346 3 HG SER 29 HG SER 29 -9.274 -9.860 3.516 4 H SER 29 HN SER 29 -8.204 -8.313 6.237 5 HB3 SER 29 HB1 SER 29 -9.311 -7.115 2.834 No H/Q in entry = 5 In of MODEL 4 1 HA HIS 30 HA HIS 30 -6.979 -3.961 4.226 2 HB2 HIS 30 HB2 HIS 30 -4.246 -5.111 3.630 3 HD1 HIS 30 HD1 HIS 30 -3.562 -6.629 5.440 4 HD2 HIS 30 HD2 HIS 30 -6.203 -3.721 6.795 5 HE1 HIS 30 HE1 HIS 30 -3.866 -7.088 7.894 6 HE2 HIS 30 HE2 HIS 30 -5.535 -5.368 8.674 7 H HIS 30 HN HIS 30 -6.667 -6.336 2.601 8 HB3 HIS 30 HB1 HIS 30 -4.527 -3.478 4.224 No H/Q in entry = 8 In of MODEL 4 1 HA TYR 31 HA TYR 31 -5.727 -2.366 0.216 2 HB2 TYR 31 HB2 TYR 31 -7.680 -0.432 1.481 3 HD1 TYR 31 HD1 TYR 31 -9.727 -1.292 2.074 4 HD2 TYR 31 HD2 TYR 31 -7.496 -3.257 -0.970 5 HE1 TYR 31 HE1 TYR 31 -11.503 -2.980 1.870 6 HE2 TYR 31 HE2 TYR 31 -9.266 -4.950 -1.182 7 HH TYR 31 HH TYR 31 -11.995 -4.846 -0.580 8 H TYR 31 HN TYR 31 -5.991 -2.028 3.107 9 HB3 TYR 31 HB1 TYR 31 -7.339 -0.576 -0.240 No H/Q in entry = 9 In of MODEL 4 1 HA CYS 32 HA CYS 32 -2.838 0.804 0.711 2 HB2 CYS 32 HB2 CYS 32 -3.064 0.155 -1.925 3 H CYS 32 HN CYS 32 -4.928 -0.395 -0.857 4 HB3 CYS 32 HB1 CYS 32 -3.359 1.889 -1.982 No H/Q in entry = 4 In of MODEL 4 1 HA THR 33 HA THR 33 -4.999 4.522 1.369 2 HB THR 33 HB THR 33 -3.542 4.477 3.280 3 HG1 THR 33 HG1 THR 33 -3.295 7.027 2.070 4 HG23 THR 33 HG21 THR 33 -1.385 4.075 2.543 5 HG22 THR 33 HG22 THR 33 -1.322 5.747 3.103 6 HG21 THR 33 HG23 THR 33 -1.430 5.398 1.378 7 H THR 33 HN THR 33 -2.496 3.072 0.975 No H/Q in entry = 7 In of MODEL 4 1 HA3 GLY 34 HA2 GLY 34 -1.830 5.762 -2.555 2 H GLY 34 HN GLY 34 -1.987 4.718 -0.433 3 HA2 GLY 34 HA1 GLY 34 -3.216 6.758 -2.139 No H/Q in entry = 3 In of MODEL 4 1 HA ARG 35 HA ARG 35 -0.543 9.694 -0.322 2 HB2 ARG 35 HB2 ARG 35 -2.226 9.267 1.738 3 HG2 ARG 35 HG2 ARG 35 -0.128 11.291 1.275 4 HD2 ARG 35 HD2 ARG 35 -1.059 12.418 3.429 5 HE ARG 35 HE ARG 35 1.276 10.980 3.018 6 HH11 ARG 35 HH11 ARG 35 -0.747 11.910 5.706 7 HH12 ARG 35 HH12 ARG 35 0.560 11.939 6.841 8 HH21 ARG 35 HH21 ARG 35 2.997 11.018 4.510 9 HH22 ARG 35 HH22 ARG 35 2.686 11.433 6.163 10 H ARG 35 HN ARG 35 -2.044 7.391 0.519 11 HB3 ARG 35 HB1 ARG 35 -0.692 9.004 2.557 12 HG3 ARG 35 HG1 ARG 35 -1.870 11.483 1.484 13 HD3 ARG 35 HD1 ARG 35 -1.380 10.760 3.936 No H/Q in entry = 13 In of MODEL 4 1 HA SER 36 HA SER 36 2.988 7.034 0.703 2 HB2 SER 36 HB2 SER 36 1.916 6.321 3.444 3 HG SER 36 HG SER 36 1.856 8.562 2.971 4 H SER 36 HN SER 36 0.152 6.604 1.168 5 HB3 SER 36 HB1 SER 36 3.619 6.336 2.986 No H/Q in entry = 5 In of MODEL 4 1 HA CYS 37 HA CYS 37 2.883 2.825 -0.211 2 HB2 CYS 37 HB2 CYS 37 5.391 3.596 -0.401 3 H CYS 37 HN CYS 37 4.250 5.027 0.979 4 HB3 CYS 37 HB1 CYS 37 5.608 2.546 0.995 No H/Q in entry = 4 In of MODEL 4 1 HA GLU 38 HA GLU 38 3.748 1.202 4.282 2 HB2 GLU 38 HB2 GLU 38 4.167 3.689 5.160 3 HG2 GLU 38 HG2 GLU 38 3.496 2.666 7.545 4 H GLU 38 HN GLU 38 3.763 3.692 3.037 5 HB3 GLU 38 HB1 GLU 38 2.509 3.497 5.714 6 HG3 GLU 38 HG1 GLU 38 3.564 1.185 6.590 No H/Q in entry = 6 In of MODEL 4 1 HA CYS 39 HA CYS 39 -0.607 0.605 4.488 2 HB2 CYS 39 HB2 CYS 39 0.911 -1.920 4.017 3 H CYS 39 HN CYS 39 2.186 -0.124 5.088 4 HB3 CYS 39 HB1 CYS 39 -0.795 -2.043 4.431 No H/Q in entry = 4 In of MODEL 4 1 HA PRO 40 HA PRO 40 -0.352 0.268 9.091 2 HB2 PRO 40 HB2 PRO 40 -3.034 1.484 8.625 3 HG2 PRO 40 HG2 PRO 40 -2.180 3.406 7.625 4 HD2 PRO 40 HD2 PRO 40 -1.942 1.908 5.888 5 HB3 PRO 40 HB1 PRO 40 -1.788 1.922 9.799 6 HG3 PRO 40 HG1 PRO 40 -0.543 3.103 8.237 7 HD3 PRO 40 HD1 PRO 40 -0.229 2.325 6.091 No H/Q in entry = 7 In of MODEL 4 1 HA SER 41 HA SER 41 -2.949 -3.240 9.128 2 HB2 SER 41 HB2 SER 41 -2.416 -4.666 10.987 3 HG SER 41 HG SER 41 -0.809 -3.210 12.477 4 H SER 41 HN SER 41 -1.213 -1.287 10.378 5 HB3 SER 41 HB1 SER 41 -0.924 -3.866 10.494 No H/Q in entry = 5 In of MODEL 4 1 HA TYR 42 HA TYR 42 -6.295 -1.715 11.521 2 HB2 TYR 42 HB2 TYR 42 -5.162 0.427 11.911 3 HD1 TYR 42 HD1 TYR 42 -8.052 1.574 9.957 4 HD2 TYR 42 HD2 TYR 42 -6.668 0.350 13.789 5 HE1 TYR 42 HE1 TYR 42 -10.116 2.443 10.973 6 HE2 TYR 42 HE2 TYR 42 -8.728 1.215 14.816 7 HH TYR 42 HH TYR 42 -10.488 2.805 14.356 8 H TYR 42 HN TYR 42 -4.521 -1.190 9.238 9 HB3 TYR 42 HB1 TYR 42 -5.697 1.004 10.337 No H/Q in entry = 9 In of MODEL 4 1 HA PRO 43 HA PRO 43 -9.283 -2.363 8.308 2 HB2 PRO 43 HB2 PRO 43 -11.552 -2.209 9.780 3 HG2 PRO 43 HG2 PRO 43 -10.690 -1.267 11.720 4 HD2 PRO 43 HD2 PRO 43 -8.430 -1.245 12.159 5 HB3 PRO 43 HB1 PRO 43 -10.460 -3.597 9.853 6 HG3 PRO 43 HG1 PRO 43 -10.502 -2.989 12.098 7 HD3 PRO 43 HD1 PRO 43 -8.230 -2.953 11.723 No H/Q in entry = 7 In of MODEL 4 1 HA3 GLY 44 HA2 GLY 44 -11.887 0.932 6.937 2 H GLY 44 HN GLY 44 -10.036 -0.993 6.822 3 HA2 GLY 44 HA1 GLY 44 -10.475 1.792 7.534 No H/Q in entry = 3 In of MODEL 4 1 HA ASN 45 HA ASN 45 -10.427 1.981 3.002 2 HB2 ASN 45 HB2 ASN 45 -12.018 4.033 3.736 3 HD21 ASN 45 HD21 ASN 45 -13.294 3.292 2.158 4 HD22 ASN 45 HD22 ASN 45 -12.949 3.418 0.470 5 H ASN 45 HN ASN 45 -11.074 3.109 5.572 6 HB3 ASN 45 HB1 ASN 45 -10.557 4.925 3.319 No H/Q in entry = 6 In of MODEL 4 1 HA3 GLY 46 HA2 GLY 46 -6.406 3.918 4.974 2 H GLY 46 HN GLY 46 -9.019 4.618 4.958 3 HA2 GLY 46 HA1 GLY 46 -6.606 4.599 3.367 No H/Q in entry = 3 In of MODEL 5 1 H1 ALA 1 HT3 ALA 1 20.355 14.169 -7.405 2 H2 ALA 1 HT2 ALA 1 21.213 13.035 -6.444 3 H3 ALA 1 HT1 ALA 1 21.229 12.900 -8.155 4 HA ALA 1 HA ALA 1 19.118 12.157 -8.275 5 HB3 ALA 1 HB1 ALA 1 20.856 10.739 -6.868 6 HB1 ALA 1 HB2 ALA 1 19.193 10.203 -7.108 7 HB2 ALA 1 HB3 ALA 1 19.656 10.990 -5.599 No H/Q in entry = 7 In of MODEL 5 1 HA MET 2 HA MET 2 16.403 13.679 -5.069 2 HB2 MET 2 HB2 MET 2 14.122 13.679 -6.081 3 H MET 2 HN MET 2 17.109 11.478 -6.887 4 HG2 MET 2 HG2 MET 2 15.410 12.052 -8.261 5 HE3 MET 2 HE1 MET 2 13.716 15.285 -9.114 6 HB3 MET 2 HB1 MET 2 15.385 14.231 -7.174 7 HE2 MET 2 HE2 MET 2 13.987 14.354 -10.587 8 HE1 MET 2 HE3 MET 2 15.177 14.313 -9.286 9 HG3 MET 2 HG1 MET 2 14.164 11.480 -7.154 No H/Q in entry = 9 In of MODEL 5 1 HA ASP 3 HA ASP 3 14.452 10.524 -2.803 2 HB2 ASP 3 HB2 ASP 3 12.809 12.961 -2.302 3 H ASP 3 HN ASP 3 14.028 13.058 -4.171 4 HB3 ASP 3 HB1 ASP 3 12.255 11.439 -1.612 No H/Q in entry = 4 In of MODEL 5 1 HA CYS 4 HA CYS 4 10.530 9.035 -4.380 2 HB2 CYS 4 HB2 CYS 4 12.690 8.192 -5.652 3 H CYS 4 HN CYS 4 12.843 8.902 -2.641 4 HB3 CYS 4 HB1 CYS 4 12.311 6.679 -4.836 No H/Q in entry = 4 In of MODEL 5 1 HA THR 5 HA THR 5 9.189 6.804 -0.863 2 HB THR 5 HB THR 5 6.716 6.352 -2.448 3 HG1 THR 5 HG1 THR 5 6.922 8.384 -3.101 4 HG23 THR 5 HG21 THR 5 6.627 5.753 -0.148 5 HG22 THR 5 HG22 THR 5 5.662 7.213 -0.368 6 HG21 THR 5 HG23 THR 5 7.273 7.320 0.342 7 H THR 5 HN THR 5 8.903 8.167 -3.292 No H/Q in entry = 7 In of MODEL 5 1 HA THR 6 HA THR 6 8.761 2.669 -2.479 2 HB THR 6 HB THR 6 10.439 1.408 -0.829 3 HG1 THR 6 HG1 THR 6 11.919 2.928 0.010 4 HG21 THR 6 HG21 THR 6 10.873 1.946 -3.206 5 HG23 THR 6 HG22 THR 6 12.294 2.084 -2.171 6 HG22 THR 6 HG23 THR 6 11.444 3.535 -2.699 7 H THR 6 HN THR 6 8.700 4.623 -0.303 No H/Q in entry = 7 In of MODEL 5 1 HA3 GLY 7 HA2 GLY 7 7.679 -0.590 0.737 2 H GLY 7 HN GLY 7 8.519 0.377 -1.512 3 HA2 GLY 7 HA1 GLY 7 6.355 0.534 0.473 No H/Q in entry = 3 In of MODEL 5 1 HA PRO 8 HA PRO 8 5.372 -3.609 -1.507 2 HB2 PRO 8 HB2 PRO 8 3.002 -3.995 -0.241 3 HG2 PRO 8 HG2 PRO 8 2.954 -2.081 1.073 4 HD2 PRO 8 HD2 PRO 8 4.840 -0.808 1.438 5 HB3 PRO 8 HB1 PRO 8 4.547 -4.533 0.428 6 HG3 PRO 8 HG1 PRO 8 3.792 -3.193 2.172 7 HD3 PRO 8 HD1 PRO 8 5.849 -2.227 1.784 No H/Q in entry = 7 In of MODEL 5 1 HA CYS 9 HA CYS 9 1.787 -1.245 -3.181 2 HB2 CYS 9 HB2 CYS 9 0.740 -0.640 -0.943 3 H CYS 9 HN CYS 9 3.402 -0.769 -0.786 4 HB3 CYS 9 HB1 CYS 9 1.426 0.967 -1.159 No H/Q in entry = 4 In of MODEL 5 1 HA CYS 10 HA CYS 10 4.260 2.182 -4.640 2 HB2 CYS 10 HB2 CYS 10 6.102 1.358 -2.816 3 H CYS 10 HN CYS 10 4.508 -0.542 -3.543 4 HB3 CYS 10 HB1 CYS 10 6.972 1.061 -4.317 No H/Q in entry = 4 In of MODEL 5 1 HA ARG 11 HA ARG 11 5.111 0.108 -8.392 2 HB2 ARG 11 HB2 ARG 11 3.712 2.697 -8.833 3 HG2 ARG 11 HG2 ARG 11 2.408 0.678 -8.418 4 HD2 ARG 11 HD2 ARG 11 4.114 -0.364 -10.600 5 HE ARG 11 HE ARG 11 1.271 -0.668 -10.730 6 HH11 ARG 11 HH11 ARG 11 4.317 -2.273 -11.297 7 HH12 ARG 11 HH12 ARG 11 3.667 -3.356 -12.483 8 HH21 ARG 11 HH21 ARG 11 0.415 -2.091 -12.288 9 HH22 ARG 11 HH22 ARG 11 1.453 -3.253 -13.046 10 H ARG 11 HN ARG 11 4.607 2.491 -6.768 11 HB3 ARG 11 HB1 ARG 11 4.461 1.934 -10.229 12 HG3 ARG 11 HG1 ARG 11 2.118 1.320 -10.036 13 HD3 ARG 11 HD1 ARG 11 3.449 -1.187 -9.189 No H/Q in entry = 13 In of MODEL 5 1 HA GLN 12 HA GLN 12 9.536 0.362 -8.684 2 HB2 GLN 12 HB2 GLN 12 8.004 1.666 -10.853 3 HG2 GLN 12 HG2 GLN 12 10.440 -0.065 -11.085 4 HE21 GLN 12 HE21 GLN 12 11.021 -0.176 -13.119 5 HE22 GLN 12 HE22 GLN 12 9.996 0.046 -14.492 6 H GLN 12 HN GLN 12 7.374 0.015 -8.080 7 HB3 GLN 12 HB1 GLN 12 9.693 2.132 -10.716 8 HG3 GLN 12 HG1 GLN 12 8.832 -0.739 -10.822 No H/Q in entry = 8 In of MODEL 5 1 HA CYS 13 HA CYS 13 9.665 4.703 -7.182 2 HB2 CYS 13 HB2 CYS 13 11.043 4.674 -9.517 3 H CYS 13 HN CYS 13 8.385 3.585 -9.564 4 HB3 CYS 13 HB1 CYS 13 10.181 6.200 -9.678 No H/Q in entry = 4 In of MODEL 5 1 HA LYS 14 HA LYS 14 6.078 7.163 -7.809 2 HB2 LYS 14 HB2 LYS 14 5.937 6.214 -10.214 3 HG2 LYS 14 HG2 LYS 14 4.515 8.170 -9.017 4 HD2 LYS 14 HD2 LYS 14 2.666 5.953 -9.571 5 HE2 LYS 14 HE2 LYS 14 2.309 8.656 -10.762 6 HZ2 LYS 14 HZ1 LYS 14 0.106 8.801 -10.354 7 HZ1 LYS 14 HZ2 LYS 14 0.538 8.010 -8.923 8 HZ3 LYS 14 HZ3 LYS 14 -0.111 7.129 -10.212 9 H LYS 14 HN LYS 14 6.894 4.359 -7.998 10 HB3 LYS 14 HB1 LYS 14 4.570 5.288 -9.610 11 HG3 LYS 14 HG1 LYS 14 4.366 7.728 -10.719 12 HD3 LYS 14 HD1 LYS 14 2.491 7.334 -8.487 13 HE3 LYS 14 HE1 LYS 14 1.813 7.079 -11.376 No H/Q in entry = 13 In of MODEL 5 1 HA LEU 15 HA LEU 15 3.285 5.508 -4.954 2 HB2 LEU 15 HB2 LEU 15 2.369 8.235 -5.674 3 HG LEU 15 HG LEU 15 3.420 6.886 -3.242 4 HD12 LEU 15 HD11 LEU 15 3.815 9.745 -3.964 5 HD11 LEU 15 HD12 LEU 15 4.581 8.504 -4.957 6 HD13 LEU 15 HD13 LEU 15 4.936 8.597 -3.232 7 HD21 LEU 15 HD21 LEU 15 1.037 8.097 -2.942 8 HD23 LEU 15 HD22 LEU 15 2.111 9.485 -2.770 9 HD22 LEU 15 HD23 LEU 15 2.292 8.092 -1.704 10 H LEU 15 HN LEU 15 3.858 7.425 -7.032 11 HB3 LEU 15 HB1 LEU 15 1.250 7.244 -4.759 No H/Q in entry = 11 In of MODEL 5 1 HA LYS 16 HA LYS 16 0.158 3.530 -7.228 2 HB2 LYS 16 HB2 LYS 16 0.386 2.345 -4.510 3 HG2 LYS 16 HG2 LYS 16 0.555 1.268 -7.310 4 HD2 LYS 16 HD2 LYS 16 1.123 -0.346 -4.857 5 HE2 LYS 16 HE2 LYS 16 0.105 -1.292 -7.511 6 HZ1 LYS 16 HZ1 LYS 16 1.853 -2.536 -5.457 7 HZ3 LYS 16 HZ2 LYS 16 1.346 -3.270 -6.894 8 HZ2 LYS 16 HZ3 LYS 16 0.214 -2.882 -5.699 9 H LYS 16 HN LYS 16 1.444 4.258 -4.736 10 HB3 LYS 16 HB1 LYS 16 -1.030 1.914 -5.459 11 HG3 LYS 16 HG1 LYS 16 1.859 1.448 -6.135 12 HD3 LYS 16 HD1 LYS 16 -0.514 -0.267 -5.510 13 HE3 LYS 16 HE1 LYS 16 1.816 -0.936 -7.272 No H/Q in entry = 13 In of MODEL 5 1 HA PRO 17 HA PRO 17 -3.686 5.601 -6.676 2 HB2 PRO 17 HB2 PRO 17 -5.533 3.697 -7.301 3 HG2 PRO 17 HG2 PRO 17 -4.172 1.819 -7.241 4 HD2 PRO 17 HD2 PRO 17 -1.869 1.977 -7.268 5 HB3 PRO 17 HB1 PRO 17 -4.528 4.507 -8.508 6 HG3 PRO 17 HG1 PRO 17 -3.967 2.293 -8.938 7 HD3 PRO 17 HD1 PRO 17 -1.871 3.188 -8.566 No H/Q in entry = 7 In of MODEL 5 1 HA ALA 18 HA ALA 18 -4.839 4.814 -2.550 2 HB1 ALA 18 HB1 ALA 18 -5.693 7.243 -3.333 3 HB2 ALA 18 HB2 ALA 18 -6.036 6.550 -1.747 4 HB3 ALA 18 HB3 ALA 18 -7.241 6.454 -3.032 5 H ALA 18 HN ALA 18 -4.973 6.130 -5.009 No H/Q in entry = 5 In of MODEL 5 1 HA3 GLY 19 HA2 GLY 19 -7.627 1.610 -1.548 2 H GLY 19 HN GLY 19 -5.594 2.850 -2.108 3 HA2 GLY 19 HA1 GLY 19 -8.301 2.163 -3.073 No H/Q in entry = 3 In of MODEL 5 1 HA THR 20 HA THR 20 -5.592 -1.069 -4.696 2 HB THR 20 HB THR 20 -2.903 -0.138 -3.677 3 HG1 THR 20 HG1 THR 20 -3.594 1.572 -4.775 4 HG23 THR 20 HG21 THR 20 -2.423 -2.145 -4.668 5 HG22 THR 20 HG22 THR 20 -2.285 -1.042 -6.037 6 HG21 THR 20 HG23 THR 20 -3.743 -2.012 -5.830 7 H THR 20 HN THR 20 -4.991 1.103 -2.854 No H/Q in entry = 7 In of MODEL 5 1 HA THR 21 HA THR 21 -4.776 -4.006 -1.570 2 HB THR 21 HB THR 21 -4.666 -6.352 -2.847 3 HG1 THR 21 HG1 THR 21 -5.707 -6.142 -4.858 4 HG23 THR 21 HG21 THR 21 -7.022 -6.477 -2.851 5 HG22 THR 21 HG22 THR 21 -7.184 -4.726 -2.985 6 HG21 THR 21 HG23 THR 21 -6.571 -5.444 -1.495 7 H THR 21 HN THR 21 -4.517 -3.189 -4.375 No H/Q in entry = 7 In of MODEL 5 1 HA CYS 22 HA CYS 22 -0.401 -4.581 -2.070 2 HB2 CYS 22 HB2 CYS 22 0.825 -3.473 -0.217 3 H CYS 22 HN CYS 22 -2.779 -3.590 -0.711 4 HB3 CYS 22 HB1 CYS 22 -0.245 -2.374 -1.082 No H/Q in entry = 4 In of MODEL 5 1 HA TRP 23 HA TRP 23 -0.973 -7.822 1.033 2 HB2 TRP 23 HB2 TRP 23 -0.324 -5.929 2.734 3 HD1 TRP 23 HD1 TRP 23 0.588 -8.904 1.954 4 HE1 TRP 23 HE1 TRP 23 1.357 -10.498 3.823 5 HE3 TRP 23 HE3 TRP 23 -1.645 -6.615 5.942 6 HZ2 TRP 23 HZ2 TRP 23 1.056 -10.750 6.619 7 HZ3 TRP 23 HZ3 TRP 23 -1.356 -7.596 8.180 8 HH2 TRP 23 HH2 TRP 23 -0.033 -9.622 8.509 9 H TRP 23 HN TRP 23 -2.425 -5.306 0.683 10 HB3 TRP 23 HB1 TRP 23 -1.861 -6.346 3.484 No H/Q in entry = 10 In of MODEL 5 1 HA ARG 24 HA ARG 24 -4.892 -9.177 2.830 2 HB2 ARG 24 HB2 ARG 24 -4.840 -8.854 0.197 3 HG2 ARG 24 HG2 ARG 24 -6.884 -10.614 1.536 4 HD2 ARG 24 HD2 ARG 24 -7.079 -8.887 -0.929 5 HE ARG 24 HE ARG 24 -9.140 -9.764 0.718 6 HH11 ARG 24 HH11 ARG 24 -8.237 -9.959 -2.647 7 HH12 ARG 24 HH12 ARG 24 -9.871 -10.058 -3.210 8 HH21 ARG 24 HH21 ARG 24 -11.290 -9.893 -0.020 9 HH22 ARG 24 HH22 ARG 24 -11.605 -10.020 -1.718 10 H ARG 24 HN ARG 24 -2.214 -9.504 1.984 11 HB3 ARG 24 HB1 ARG 24 -4.825 -10.612 0.216 12 HG3 ARG 24 HG1 ARG 24 -6.900 -8.849 1.503 13 HD3 ARG 24 HD1 ARG 24 -7.026 -10.649 -0.915 No H/Q in entry = 13 In of MODEL 5 1 HA THR 25 HA THR 25 -3.766 -13.315 3.747 2 HB THR 25 HB THR 25 -4.447 -13.657 6.232 3 HG1 THR 25 HG1 THR 25 -4.655 -10.838 6.058 4 HG23 THR 25 HG21 THR 25 -2.346 -13.161 6.702 5 HG22 THR 25 HG22 THR 25 -2.621 -11.445 6.398 6 HG21 THR 25 HG23 THR 25 -2.196 -12.520 5.066 7 H THR 25 HN THR 25 -5.272 -10.823 4.151 No H/Q in entry = 7 In of MODEL 5 1 HA SER 26 HA SER 26 -8.528 -13.880 3.892 2 HB2 SER 26 HB2 SER 26 -7.095 -15.688 5.787 3 HG SER 26 HG SER 26 -8.306 -16.014 3.241 4 H SER 26 HN SER 26 -6.696 -12.644 5.610 5 HB3 SER 26 HB1 SER 26 -8.816 -15.957 5.516 No H/Q in entry = 5 In of MODEL 5 1 HA VAL 27 HA VAL 27 -10.373 -13.049 8.079 2 HB VAL 27 HB VAL 27 -8.739 -14.095 9.595 3 H VAL 27 HN VAL 27 -7.606 -13.311 7.242 No H/Q in entry = 3 In of MODEL 5 1 HA SER 28 HA SER 28 -9.390 -8.666 7.534 2 HB2 SER 28 HB2 SER 28 -6.485 -8.638 8.373 3 HG SER 28 HG SER 28 -7.183 -8.749 10.451 4 H SER 28 HN SER 28 -7.632 -11.009 7.316 5 HB3 SER 28 HB1 SER 28 -7.664 -7.339 8.552 No H/Q in entry = 5 In of MODEL 5 1 HA SER 29 HA SER 29 -6.977 -7.581 3.979 2 HB2 SER 29 HB2 SER 29 -9.819 -6.609 3.605 3 HG SER 29 HG SER 29 -10.216 -8.589 3.018 4 H SER 29 HN SER 29 -8.907 -6.949 6.105 5 HB3 SER 29 HB1 SER 29 -8.615 -6.687 2.319 No H/Q in entry = 5 In of MODEL 5 1 HA HIS 30 HA HIS 30 -6.235 -3.316 4.684 2 HB2 HIS 30 HB2 HIS 30 -3.616 -4.722 4.195 3 HD1 HIS 30 HD1 HIS 30 -2.167 -4.741 6.420 4 HD2 HIS 30 HD2 HIS 30 -6.150 -3.649 6.878 5 HE1 HIS 30 HE1 HIS 30 -2.638 -4.931 8.883 6 HE2 HIS 30 HE2 HIS 30 -5.077 -4.349 9.125 7 H HIS 30 HN HIS 30 -5.566 -5.996 3.691 8 HB3 HIS 30 HB1 HIS 30 -3.701 -2.980 4.433 No H/Q in entry = 8 In of MODEL 5 1 HA TYR 31 HA TYR 31 -5.331 -1.943 0.567 2 HB2 TYR 31 HB2 TYR 31 -7.369 -0.071 1.788 3 HD1 TYR 31 HD1 TYR 31 -7.429 -2.402 -1.103 4 HD2 TYR 31 HD2 TYR 31 -8.954 -1.497 2.764 5 HE1 TYR 31 HE1 TYR 31 -9.106 -4.182 -1.355 6 HE2 TYR 31 HE2 TYR 31 -10.635 -3.275 2.524 7 HH TYR 31 HH TYR 31 -10.929 -5.369 1.227 8 H TYR 31 HN TYR 31 -5.738 -1.457 3.438 9 HB3 TYR 31 HB1 TYR 31 -6.999 -0.180 0.071 No H/Q in entry = 9 In of MODEL 5 1 HA CYS 32 HA CYS 32 -2.379 1.179 0.645 2 HB2 CYS 32 HB2 CYS 32 -3.100 0.821 -1.935 3 H CYS 32 HN CYS 32 -4.541 -0.072 -0.621 4 HB3 CYS 32 HB1 CYS 32 -3.508 2.522 -1.741 No H/Q in entry = 4 In of MODEL 5 1 HA THR 33 HA THR 33 -4.347 4.624 2.392 2 HB THR 33 HB THR 33 -2.750 6.114 3.474 3 HG1 THR 33 HG1 THR 33 -0.792 4.775 1.921 4 HG23 THR 33 HG21 THR 33 -2.805 4.321 4.854 5 HG22 THR 33 HG22 THR 33 -1.109 4.251 4.378 6 HG21 THR 33 HG23 THR 33 -2.287 3.195 3.599 7 H THR 33 HN THR 33 -2.020 3.321 1.279 No H/Q in entry = 7 In of MODEL 5 1 HA3 GLY 34 HA2 GLY 34 -2.541 6.429 -2.131 2 H GLY 34 HN GLY 34 -2.017 5.191 -0.179 3 HA2 GLY 34 HA1 GLY 34 -3.779 7.285 -1.225 No H/Q in entry = 3 In of MODEL 5 1 HA ARG 35 HA ARG 35 -0.747 10.196 -0.027 2 HB2 ARG 35 HB2 ARG 35 -1.890 9.626 2.345 3 HG2 ARG 35 HG2 ARG 35 -0.007 11.739 1.506 4 HD2 ARG 35 HD2 ARG 35 -0.924 11.514 4.365 5 HE ARG 35 HE ARG 35 -0.352 13.715 4.293 6 HH11 ARG 35 HH11 ARG 35 1.845 11.953 2.232 7 HH12 ARG 35 HH12 ARG 35 2.826 13.336 1.884 8 HH21 ARG 35 HH21 ARG 35 0.937 15.536 3.836 9 HH22 ARG 35 HH22 ARG 35 2.312 15.371 2.795 10 H ARG 35 HN ARG 35 -1.900 7.764 1.026 11 HB3 ARG 35 HB1 ARG 35 -0.201 9.384 2.770 12 HG3 ARG 35 HG1 ARG 35 -1.658 11.861 2.117 13 HD3 ARG 35 HD1 ARG 35 0.708 11.122 3.828 No H/Q in entry = 13 In of MODEL 5 1 HA SER 36 HA SER 36 3.023 7.692 0.113 2 HB2 SER 36 HB2 SER 36 3.932 6.436 2.191 3 HG SER 36 HG SER 36 1.694 5.966 2.903 4 H SER 36 HN SER 36 0.352 7.077 1.125 5 HB3 SER 36 HB1 SER 36 3.450 8.122 2.378 No H/Q in entry = 5 In of MODEL 5 1 HA CYS 37 HA CYS 37 2.862 3.654 -1.379 2 HB2 CYS 37 HB2 CYS 37 5.786 4.060 -0.806 3 H CYS 37 HN CYS 37 4.369 5.710 -0.103 4 HB3 CYS 37 HB1 CYS 37 5.200 2.546 -1.486 No H/Q in entry = 4 In of MODEL 5 1 HA GLU 38 HA GLU 38 4.427 1.384 2.588 2 HB2 GLU 38 HB2 GLU 38 5.281 3.538 3.751 3 HG2 GLU 38 HG2 GLU 38 4.546 2.356 6.088 4 H GLU 38 HN GLU 38 4.287 4.058 1.772 5 HB3 GLU 38 HB1 GLU 38 3.676 3.606 4.466 6 HG3 GLU 38 HG1 GLU 38 4.396 1.021 4.947 No H/Q in entry = 6 In of MODEL 5 1 HA CYS 39 HA CYS 39 0.176 0.873 3.616 2 HB2 CYS 39 HB2 CYS 39 1.591 -1.650 2.968 3 H CYS 39 HN CYS 39 3.013 0.103 3.830 4 HB3 CYS 39 HB1 CYS 39 0.027 -1.815 3.759 No H/Q in entry = 4 In of MODEL 5 1 HA PRO 40 HA PRO 40 1.062 0.749 8.149 2 HB2 PRO 40 HB2 PRO 40 -1.653 1.973 7.998 3 HG2 PRO 40 HG2 PRO 40 -0.935 3.834 6.798 4 HD2 PRO 40 HD2 PRO 40 -0.946 2.254 5.119 5 HB3 PRO 40 HB1 PRO 40 -0.255 2.451 8.967 6 HG3 PRO 40 HG1 PRO 40 0.769 3.541 7.194 7 HD3 PRO 40 HD1 PRO 40 0.782 2.658 5.066 No H/Q in entry = 7 In of MODEL 5 1 HA SER 41 HA SER 41 -1.767 -2.476 8.970 2 HB2 SER 41 HB2 SER 41 -0.363 -1.846 11.559 3 HG SER 41 HG SER 41 -0.145 -4.265 10.206 4 H SER 41 HN SER 41 -0.277 -0.148 9.938 5 HB3 SER 41 HB1 SER 41 -1.508 -3.182 11.441 No H/Q in entry = 5 In of MODEL 5 1 HA TYR 42 HA TYR 42 -4.875 0.081 11.176 2 HB2 TYR 42 HB2 TYR 42 -4.185 1.976 8.994 3 HD1 TYR 42 HD1 TYR 42 -2.356 1.792 10.995 4 HD2 TYR 42 HD2 TYR 42 -6.203 3.586 11.284 5 HE1 TYR 42 HE1 TYR 42 -1.572 3.155 12.886 6 HE2 TYR 42 HE2 TYR 42 -5.430 4.954 13.175 7 HH TYR 42 HH TYR 42 -3.275 4.482 15.029 8 H TYR 42 HN TYR 42 -3.033 0.080 8.920 9 HB3 TYR 42 HB1 TYR 42 -5.829 2.044 9.619 No H/Q in entry = 9 In of MODEL 5 1 HA PRO 43 HA PRO 43 -8.055 -2.173 9.108 2 HB2 PRO 43 HB2 PRO 43 -10.268 -1.123 10.273 3 HG2 PRO 43 HG2 PRO 43 -9.332 0.771 11.238 4 HD2 PRO 43 HD2 PRO 43 -7.055 1.005 11.497 5 HB3 PRO 43 HB1 PRO 43 -9.167 -2.216 11.120 6 HG3 PRO 43 HG1 PRO 43 -9.117 -0.391 12.560 7 HD3 PRO 43 HD1 PRO 43 -6.863 -0.635 12.148 No H/Q in entry = 7 In of MODEL 5 1 HA3 GLY 44 HA2 GLY 44 -8.929 0.884 5.987 2 H GLY 44 HN GLY 44 -8.228 -1.692 6.979 3 HA2 GLY 44 HA1 GLY 44 -8.836 -0.598 5.048 No H/Q in entry = 3 In of MODEL 5 1 HA ASN 45 HA ASN 45 -13.193 -0.423 5.377 2 HB2 ASN 45 HB2 ASN 45 -12.272 -1.776 2.895 3 HD21 ASN 45 HD21 ASN 45 -15.320 -0.180 3.362 4 HD22 ASN 45 HD22 ASN 45 -14.894 1.300 2.579 5 H ASN 45 HN ASN 45 -10.679 -1.732 4.589 6 HB3 ASN 45 HB1 ASN 45 -13.967 -1.975 3.333 No H/Q in entry = 6 In of MODEL 5 1 HA3 GLY 46 HA2 GLY 46 -12.417 -5.714 5.543 2 H GLY 46 HN GLY 46 -12.094 -3.697 4.457 3 HA2 GLY 46 HA1 GLY 46 -13.128 -4.833 6.887 No H/Q in entry = 3 In of MODEL 6 1 H1 ALA 1 HT2 ALA 1 13.448 11.526 -9.334 2 H2 ALA 1 HT1 ALA 1 12.819 12.767 -10.339 3 H3 ALA 1 HT3 ALA 1 14.374 12.939 -9.639 4 HA ALA 1 HA ALA 1 12.851 14.274 -8.472 5 HB2 ALA 1 HB1 ALA 1 10.851 13.474 -7.513 6 HB1 ALA 1 HB2 ALA 1 11.287 11.792 -7.815 7 HB3 ALA 1 HB3 ALA 1 10.872 12.851 -9.163 No H/Q in entry = 7 In of MODEL 6 1 HA MET 2 HA MET 2 15.255 13.286 -5.035 2 HB2 MET 2 HB2 MET 2 13.165 15.140 -3.892 3 H MET 2 HN MET 2 13.034 14.578 -6.214 4 HG2 MET 2 HG2 MET 2 15.387 16.538 -3.702 5 HE1 MET 2 HE1 MET 2 14.128 18.334 -3.695 6 HB3 MET 2 HB1 MET 2 14.549 14.566 -2.972 7 HE3 MET 2 HE2 MET 2 12.489 17.878 -4.159 8 HE2 MET 2 HE3 MET 2 13.332 19.151 -5.040 9 HG3 MET 2 HG1 MET 2 15.874 15.511 -5.049 No H/Q in entry = 9 In of MODEL 6 1 HA ASP 3 HA ASP 3 12.125 11.211 -2.172 2 HB2 ASP 3 HB2 ASP 3 9.567 11.934 -3.609 3 H ASP 3 HN ASP 3 11.807 13.250 -4.119 4 HB3 ASP 3 HB1 ASP 3 9.733 11.206 -2.014 No H/Q in entry = 4 In of MODEL 6 1 HA CYS 4 HA CYS 4 10.173 8.139 -5.137 2 HB2 CYS 4 HB2 CYS 4 12.626 7.874 -4.517 3 H CYS 4 HN CYS 4 10.199 9.349 -2.607 4 HB3 CYS 4 HB1 CYS 4 12.092 6.773 -3.252 No H/Q in entry = 4 In of MODEL 6 1 HA THR 5 HA THR 5 8.804 6.435 -0.277 2 HB THR 5 HB THR 5 6.703 6.062 -2.331 3 HG1 THR 5 HG1 THR 5 7.659 8.607 -1.552 4 HG21 THR 5 HG21 THR 5 6.514 5.828 0.240 5 HG23 THR 5 HG22 THR 5 5.224 6.621 -0.664 6 HG22 THR 5 HG23 THR 5 6.410 7.589 0.211 7 H THR 5 HN THR 5 10.182 7.609 -1.654 No H/Q in entry = 7 In of MODEL 6 1 HA THR 6 HA THR 6 9.327 2.370 -1.887 2 HB THR 6 HB THR 6 11.082 1.181 -0.708 3 HG1 THR 6 HG1 THR 6 10.996 3.326 1.144 4 HG22 THR 6 HG21 THR 6 12.233 3.902 -0.640 5 HG21 THR 6 HG22 THR 6 11.583 3.329 -2.176 6 HG23 THR 6 HG23 THR 6 12.856 2.419 -1.363 7 H THR 6 HN THR 6 9.589 4.473 0.150 No H/Q in entry = 7 In of MODEL 6 1 HA3 GLY 7 HA2 GLY 7 7.772 -0.835 0.955 2 H GLY 7 HN GLY 7 8.532 0.307 -1.308 3 HA2 GLY 7 HA1 GLY 7 6.554 0.426 0.837 No H/Q in entry = 3 In of MODEL 6 1 HA PRO 8 HA PRO 8 5.482 -3.646 -1.526 2 HB2 PRO 8 HB2 PRO 8 3.235 -3.537 0.418 3 HG2 PRO 8 HG2 PRO 8 4.553 -3.982 2.282 4 HD2 PRO 8 HD2 PRO 8 5.080 -1.763 1.902 5 HB3 PRO 8 HB1 PRO 8 4.146 -4.930 -0.173 6 HG3 PRO 8 HG1 PRO 8 5.904 -4.571 1.296 7 HD3 PRO 8 HD1 PRO 8 6.709 -2.453 1.748 No H/Q in entry = 7 In of MODEL 6 1 HA CYS 9 HA CYS 9 1.851 -0.974 -2.534 2 HB2 CYS 9 HB2 CYS 9 2.262 0.900 -0.220 3 H CYS 9 HN CYS 9 3.927 -0.710 -0.492 4 HB3 CYS 9 HB1 CYS 9 1.111 1.277 -1.497 No H/Q in entry = 4 In of MODEL 6 1 HA CYS 10 HA CYS 10 4.302 1.317 -5.316 2 HB2 CYS 10 HB2 CYS 10 6.027 2.963 -4.535 3 H CYS 10 HN CYS 10 4.613 -0.620 -3.319 4 HB3 CYS 10 HB1 CYS 10 4.524 2.999 -3.619 No H/Q in entry = 4 In of MODEL 6 1 HA ARG 11 HA ARG 11 8.342 -0.266 -6.246 2 HB2 ARG 11 HB2 ARG 11 6.242 -1.312 -8.136 3 HG2 ARG 11 HG2 ARG 11 7.871 -2.676 -6.002 4 HD2 ARG 11 HD2 ARG 11 5.856 -4.355 -6.538 5 HE ARG 11 HE ARG 11 8.591 -4.325 -7.322 6 HH11 ARG 11 HH11 ARG 11 5.579 -6.022 -7.795 7 HH12 ARG 11 HH12 ARG 11 6.344 -7.520 -8.208 8 HH21 ARG 11 HH21 ARG 11 9.599 -6.293 -7.866 9 HH22 ARG 11 HH22 ARG 11 8.626 -7.674 -8.248 10 H ARG 11 HN ARG 11 5.853 1.116 -6.874 11 HB3 ARG 11 HB1 ARG 11 7.933 -1.776 -8.274 12 HG3 ARG 11 HG1 ARG 11 6.172 -2.217 -5.871 13 HD3 ARG 11 HD1 ARG 11 6.064 -3.639 -8.136 No H/Q in entry = 13 In of MODEL 6 1 HA GLN 12 HA GLN 12 11.088 0.975 -9.561 2 HB2 GLN 12 HB2 GLN 12 10.107 1.322 -11.722 3 HG2 GLN 12 HG2 GLN 12 7.887 2.263 -10.618 4 HE21 GLN 12 HE21 GLN 12 5.558 1.495 -11.499 5 HE22 GLN 12 HE22 GLN 12 5.055 -0.011 -10.820 6 H GLN 12 HN GLN 12 9.821 -0.311 -8.159 7 HB3 GLN 12 HB1 GLN 12 9.490 -0.191 -11.076 8 HG3 GLN 12 HG1 GLN 12 7.929 1.591 -12.246 No H/Q in entry = 8 In of MODEL 6 1 HA CYS 13 HA CYS 13 9.769 4.587 -6.612 2 HB2 CYS 13 HB2 CYS 13 11.751 4.674 -8.409 3 H CYS 13 HN CYS 13 9.890 2.444 -7.360 4 HB3 CYS 13 HB1 CYS 13 10.617 5.754 -9.212 No H/Q in entry = 4 In of MODEL 6 1 HA LYS 14 HA LYS 14 6.061 6.387 -7.820 2 HB2 LYS 14 HB2 LYS 14 4.699 5.310 -9.501 3 HG2 LYS 14 HG2 LYS 14 6.097 2.908 -10.021 4 HD2 LYS 14 HD2 LYS 14 3.322 3.750 -9.379 5 HE2 LYS 14 HE2 LYS 14 4.388 0.978 -9.096 6 HZ1 LYS 14 HZ1 LYS 14 2.752 0.983 -10.957 7 HZ3 LYS 14 HZ2 LYS 14 1.586 1.554 -9.873 8 HZ2 LYS 14 HZ3 LYS 14 2.296 0.039 -9.629 9 H LYS 14 HN LYS 14 7.437 4.231 -6.674 10 HB3 LYS 14 HB1 LYS 14 6.395 5.095 -9.910 11 HG3 LYS 14 HG1 LYS 14 5.599 2.881 -8.329 12 HD3 LYS 14 HD1 LYS 14 3.950 2.914 -10.801 13 HE3 LYS 14 HE1 LYS 14 3.165 1.813 -8.139 No H/Q in entry = 13 In of MODEL 6 1 HA LEU 15 HA LEU 15 3.457 4.783 -4.724 2 HB2 LEU 15 HB2 LEU 15 2.896 7.616 -5.305 3 HG LEU 15 HG LEU 15 3.641 5.995 -2.947 4 HD13 LEU 15 HD11 LEU 15 5.394 7.241 -3.776 5 HD12 LEU 15 HD12 LEU 15 4.779 8.289 -2.497 6 HD11 LEU 15 HD13 LEU 15 4.365 8.616 -4.180 7 HD23 LEU 15 HD21 LEU 15 2.362 8.630 -2.397 8 HD22 LEU 15 HD22 LEU 15 2.622 7.255 -1.323 9 HD21 LEU 15 HD23 LEU 15 1.346 7.195 -2.539 10 H LEU 15 HN LEU 15 4.160 6.691 -6.785 11 HB3 LEU 15 HB1 LEU 15 1.583 6.746 -4.533 No H/Q in entry = 11 In of MODEL 6 1 HA LYS 16 HA LYS 16 0.353 3.034 -7.247 2 HB2 LYS 16 HB2 LYS 16 0.567 1.543 -4.662 3 HG2 LYS 16 HG2 LYS 16 0.673 0.558 -7.503 4 HD2 LYS 16 HD2 LYS 16 1.669 -0.687 -4.945 5 HE2 LYS 16 HE2 LYS 16 1.398 -2.689 -6.734 6 HZ1 LYS 16 HZ1 LYS 16 3.418 -1.726 -5.368 7 HZ3 LYS 16 HZ2 LYS 16 3.908 -1.204 -6.900 8 HZ2 LYS 16 HZ3 LYS 16 3.642 -2.850 -6.613 9 H LYS 16 HN LYS 16 1.888 3.322 -4.854 10 HB3 LYS 16 HB1 LYS 16 -0.796 1.220 -5.726 11 HG3 LYS 16 HG1 LYS 16 2.089 1.043 -6.567 12 HD3 LYS 16 HD1 LYS 16 0.146 -1.108 -5.730 13 HE3 LYS 16 HE1 LYS 16 1.848 -1.364 -7.807 No H/Q in entry = 13 In of MODEL 6 1 HA PRO 17 HA PRO 17 -3.358 5.174 -6.230 2 HB2 PRO 17 HB2 PRO 17 -5.301 3.504 -7.139 3 HG2 PRO 17 HG2 PRO 17 -4.044 1.570 -7.406 4 HD2 PRO 17 HD2 PRO 17 -1.738 1.609 -7.444 5 HB3 PRO 17 HB1 PRO 17 -4.260 4.445 -8.213 6 HG3 PRO 17 HG1 PRO 17 -3.833 2.302 -9.008 7 HD3 PRO 17 HD1 PRO 17 -1.684 3.003 -8.543 No H/Q in entry = 7 In of MODEL 6 1 HA ALA 18 HA ALA 18 -4.560 3.799 -2.290 2 HB3 ALA 18 HB1 ALA 18 -6.965 5.513 -2.763 3 HB1 ALA 18 HB2 ALA 18 -5.376 6.249 -2.553 4 HB2 ALA 18 HB3 ALA 18 -6.058 5.242 -1.276 5 H ALA 18 HN ALA 18 -4.736 5.426 -4.546 No H/Q in entry = 5 In of MODEL 6 1 HA3 GLY 19 HA2 GLY 19 -7.464 0.597 -2.066 2 H GLY 19 HN GLY 19 -5.066 1.676 -2.476 3 HA2 GLY 19 HA1 GLY 19 -7.535 0.874 -3.800 No H/Q in entry = 3 In of MODEL 6 1 HA THR 20 HA THR 20 -4.697 -2.337 -4.732 2 HB THR 20 HB THR 20 -2.055 -1.219 -3.973 3 HG1 THR 20 HG1 THR 20 -3.556 -0.136 -6.119 4 HG23 THR 20 HG21 THR 20 -1.923 -3.165 -5.259 5 HG22 THR 20 HG22 THR 20 -1.594 -1.848 -6.386 6 HG21 THR 20 HG23 THR 20 -3.180 -2.620 -6.370 7 H THR 20 HN THR 20 -4.593 0.359 -4.014 No H/Q in entry = 7 In of MODEL 6 1 HA THR 21 HA THR 21 -3.809 -4.212 -0.913 2 HB THR 21 HB THR 21 -3.291 -6.774 -1.521 3 HG1 THR 21 HG1 THR 21 -3.483 -7.163 -3.557 4 HG22 THR 21 HG21 THR 21 -5.900 -6.843 -2.114 5 HG21 THR 21 HG22 THR 21 -5.798 -5.239 -1.388 6 HG23 THR 21 HG23 THR 21 -5.275 -6.656 -0.476 7 H THR 21 HN THR 21 -3.659 -4.184 -3.823 No H/Q in entry = 7 In of MODEL 6 1 HA CYS 22 HA CYS 22 0.538 -4.655 -0.755 2 HB2 CYS 22 HB2 CYS 22 1.271 -4.189 1.603 3 H CYS 22 HN CYS 22 -2.138 -4.860 0.437 4 HB3 CYS 22 HB1 CYS 22 0.177 -2.987 0.926 No H/Q in entry = 4 In of MODEL 6 1 HA TRP 23 HA TRP 23 0.665 -8.663 1.435 2 HB2 TRP 23 HB2 TRP 23 -0.469 -7.701 3.586 3 HD1 TRP 23 HD1 TRP 23 0.527 -11.003 2.035 4 HE1 TRP 23 HE1 TRP 23 1.587 -12.502 3.839 5 HE3 TRP 23 HE3 TRP 23 -0.598 -8.215 6.170 6 HZ2 TRP 23 HZ2 TRP 23 1.904 -12.502 6.644 7 HZ3 TRP 23 HZ3 TRP 23 0.120 -9.035 8.376 8 HH2 TRP 23 HH2 TRP 23 1.344 -11.135 8.607 9 H TRP 23 HN TRP 23 -1.452 -6.625 1.384 10 HB3 TRP 23 HB1 TRP 23 -1.786 -8.786 3.155 No H/Q in entry = 10 In of MODEL 6 1 HA ARG 24 HA ARG 24 -4.379 -9.494 -0.131 2 HB2 ARG 24 HB2 ARG 24 -2.366 -9.069 -1.870 3 HG2 ARG 24 HG2 ARG 24 -4.954 -9.430 -2.212 4 HD2 ARG 24 HD2 ARG 24 -4.249 -12.036 -2.140 5 HE ARG 24 HE ARG 24 -3.232 -11.412 -4.567 6 HH11 ARG 24 HH11 ARG 24 -5.968 -13.322 -3.544 7 HH12 ARG 24 HH12 ARG 24 -5.886 -14.394 -4.902 8 HH21 ARG 24 HH21 ARG 24 -3.123 -12.820 -6.354 9 HH22 ARG 24 HH22 ARG 24 -4.271 -14.109 -6.497 10 H ARG 24 HN ARG 24 -2.826 -8.273 0.999 11 HB3 ARG 24 HB1 ARG 24 -2.357 -10.827 -1.839 12 HG3 ARG 24 HG1 ARG 24 -3.821 -9.494 -3.563 13 HD3 ARG 24 HD1 ARG 24 -5.648 -11.413 -3.013 No H/Q in entry = 13 In of MODEL 6 1 HA THR 25 HA THR 25 -4.304 -13.724 0.910 2 HB THR 25 HB THR 25 -4.176 -14.038 3.416 3 HG1 THR 25 HG1 THR 25 -3.914 -12.242 4.676 4 HG22 THR 25 HG21 THR 25 -2.065 -12.110 2.542 5 HG21 THR 25 HG22 THR 25 -2.159 -13.738 1.872 6 HG23 THR 25 HG23 THR 25 -1.926 -13.510 3.605 7 H THR 25 HN THR 25 -5.236 -11.011 1.153 No H/Q in entry = 7 In of MODEL 6 1 HA SER 26 HA SER 26 -8.499 -14.354 1.790 2 HB2 SER 26 HB2 SER 26 -7.163 -17.021 2.107 3 HG SER 26 HG SER 26 -7.686 -17.116 0.085 4 H SER 26 HN SER 26 -5.758 -15.251 2.097 5 HB3 SER 26 HB1 SER 26 -8.894 -16.871 2.412 No H/Q in entry = 5 In of MODEL 6 1 HA VAL 27 HA VAL 27 -9.342 -13.642 5.953 2 HB VAL 27 HB VAL 27 -7.641 -15.345 6.438 3 H VAL 27 HN VAL 27 -7.683 -12.939 3.814 No H/Q in entry = 3 In of MODEL 6 1 HA SER 28 HA SER 28 -7.186 -9.671 6.694 2 HB2 SER 28 HB2 SER 28 -4.591 -10.372 5.319 3 HG SER 28 HG SER 28 -3.850 -10.415 7.466 4 H SER 28 HN SER 28 -6.438 -11.916 4.959 5 HB3 SER 28 HB1 SER 28 -4.868 -8.823 6.116 No H/Q in entry = 5 In of MODEL 6 1 HA SER 29 HA SER 29 -5.675 -8.522 1.705 2 HB2 SER 29 HB2 SER 29 -7.842 -9.833 1.691 3 HG SER 29 HG SER 29 -7.664 -7.288 0.472 4 H SER 29 HN SER 29 -5.428 -9.714 3.626 5 HB3 SER 29 HB1 SER 29 -8.621 -8.404 2.370 No H/Q in entry = 5 In of MODEL 6 1 HA HIS 30 HA HIS 30 -6.051 -4.592 3.880 2 HB2 HIS 30 HB2 HIS 30 -3.145 -5.233 3.620 3 HD1 HIS 30 HD1 HIS 30 -2.399 -6.105 5.801 4 HD2 HIS 30 HD2 HIS 30 -5.725 -3.644 6.182 5 HE1 HIS 30 HE1 HIS 30 -2.993 -6.153 8.244 6 HE2 HIS 30 HE2 HIS 30 -5.063 -4.729 8.435 7 H HIS 30 HN HIS 30 -4.510 -6.801 2.824 8 HB3 HIS 30 HB1 HIS 30 -3.620 -3.552 3.836 No H/Q in entry = 8 In of MODEL 6 1 HA TYR 31 HA TYR 31 -5.086 -2.293 0.152 2 HB2 TYR 31 HB2 TYR 31 -6.947 -0.454 1.652 3 HD1 TYR 31 HD1 TYR 31 -9.002 -1.157 2.429 4 HD2 TYR 31 HD2 TYR 31 -6.945 -3.576 -0.402 5 HE1 TYR 31 HE1 TYR 31 -10.762 -2.864 2.618 6 HE2 TYR 31 HE2 TYR 31 -8.699 -5.290 -0.222 7 HH TYR 31 HH TYR 31 -10.498 -5.872 1.841 8 H TYR 31 HN TYR 31 -5.272 -2.323 3.082 9 HB3 TYR 31 HB1 TYR 31 -6.858 -0.729 -0.085 No H/Q in entry = 9 In of MODEL 6 1 HA CYS 32 HA CYS 32 -2.260 0.872 1.028 2 HB2 CYS 32 HB2 CYS 32 -2.678 1.264 -1.942 3 H CYS 32 HN CYS 32 -4.133 -0.433 -0.741 4 HB3 CYS 32 HB1 CYS 32 -1.292 1.807 -1.002 No H/Q in entry = 4 In of MODEL 6 1 HA THR 33 HA THR 33 -4.711 4.379 1.715 2 HB THR 33 HB THR 33 -3.498 6.126 2.853 3 HG1 THR 33 HG1 THR 33 -1.397 6.413 2.656 4 HG23 THR 33 HG21 THR 33 -2.989 4.998 4.715 5 HG22 THR 33 HG22 THR 33 -1.876 3.914 3.881 6 HG21 THR 33 HG23 THR 33 -3.612 3.612 3.821 7 H THR 33 HN THR 33 -2.276 2.958 1.688 No H/Q in entry = 7 In of MODEL 6 1 HA3 GLY 34 HA2 GLY 34 -2.065 5.285 -2.629 2 H GLY 34 HN GLY 34 -1.938 4.475 -0.404 3 HA2 GLY 34 HA1 GLY 34 -3.408 6.312 -2.152 No H/Q in entry = 3 In of MODEL 6 1 HA ARG 35 HA ARG 35 -0.389 9.309 -1.083 2 HB2 ARG 35 HB2 ARG 35 -1.262 9.027 1.797 3 HG2 ARG 35 HG2 ARG 35 -2.486 11.244 0.915 4 HD2 ARG 35 HD2 ARG 35 -3.345 8.389 1.019 5 HE ARG 35 HE ARG 35 -4.712 10.083 -0.630 6 HH11 ARG 35 HH11 ARG 35 -5.422 8.473 2.384 7 HH12 ARG 35 HH12 ARG 35 -7.120 8.355 2.065 8 HH21 ARG 35 HH21 ARG 35 -6.944 9.929 -1.051 9 HH22 ARG 35 HH22 ARG 35 -7.985 9.181 0.115 10 H ARG 35 HN ARG 35 -1.900 7.212 0.265 11 HB3 ARG 35 HB1 ARG 35 -0.412 10.417 1.137 12 HG3 ARG 35 HG1 ARG 35 -2.490 10.286 -0.567 13 HD3 ARG 35 HD1 ARG 35 -3.808 9.738 2.055 No H/Q in entry = 13 In of MODEL 6 1 HA SER 36 HA SER 36 2.978 6.984 0.836 2 HB2 SER 36 HB2 SER 36 1.957 7.767 3.107 3 HG SER 36 HG SER 36 4.021 5.847 3.287 4 H SER 36 HN SER 36 0.081 6.603 1.072 5 HB3 SER 36 HB1 SER 36 1.826 6.040 3.444 No H/Q in entry = 5 In of MODEL 6 1 HA CYS 37 HA CYS 37 2.959 2.757 -0.018 2 HB2 CYS 37 HB2 CYS 37 5.712 3.026 1.208 3 H CYS 37 HN CYS 37 4.217 5.038 1.144 4 HB3 CYS 37 HB1 CYS 37 5.165 1.697 0.192 No H/Q in entry = 4 In of MODEL 6 1 HA GLU 38 HA GLU 38 3.706 1.369 4.588 2 HB2 GLU 38 HB2 GLU 38 3.824 3.930 5.356 3 HG2 GLU 38 HG2 GLU 38 3.259 3.067 7.750 4 H GLU 38 HN GLU 38 3.609 3.785 3.222 5 HB3 GLU 38 HB1 GLU 38 2.162 3.590 5.821 6 HG3 GLU 38 HG1 GLU 38 3.226 1.491 6.959 No H/Q in entry = 6 In of MODEL 6 1 HA CYS 39 HA CYS 39 -0.511 0.244 4.192 2 HB2 CYS 39 HB2 CYS 39 1.036 -1.649 3.224 3 H CYS 39 HN CYS 39 2.289 -0.203 4.956 4 HB3 CYS 39 HB1 CYS 39 0.625 -2.474 4.724 No H/Q in entry = 4 In of MODEL 6 1 HA PRO 40 HA PRO 40 -0.905 0.160 8.754 2 HB2 PRO 40 HB2 PRO 40 -3.308 1.440 8.791 3 HG2 PRO 40 HG2 PRO 40 -3.673 1.621 6.506 4 HD2 PRO 40 HD2 PRO 40 -1.981 1.305 4.970 5 HB3 PRO 40 HB1 PRO 40 -1.760 2.288 8.710 6 HG3 PRO 40 HG1 PRO 40 -2.781 3.126 6.797 7 HD3 PRO 40 HD1 PRO 40 -0.828 2.291 5.892 No H/Q in entry = 7 In of MODEL 6 1 HA SER 41 HA SER 41 -3.385 -3.368 9.025 2 HB2 SER 41 HB2 SER 41 -4.109 -2.342 11.758 3 HG SER 41 HG SER 41 -2.044 -2.167 12.121 4 H SER 41 HN SER 41 -2.220 -1.064 10.114 5 HB3 SER 41 HB1 SER 41 -3.869 -4.007 11.229 No H/Q in entry = 5 In of MODEL 6 1 HA TYR 42 HA TYR 42 -7.404 -1.243 9.074 2 HB2 TYR 42 HB2 TYR 42 -6.759 1.201 10.735 3 HD1 TYR 42 HD1 TYR 42 -5.164 -0.178 12.132 4 HD2 TYR 42 HD2 TYR 42 -9.295 -1.125 11.762 5 HE1 TYR 42 HE1 TYR 42 -5.023 -1.561 14.161 6 HE2 TYR 42 HE2 TYR 42 -9.166 -2.510 13.790 7 HH TYR 42 HH TYR 42 -6.726 -3.780 14.998 8 H TYR 42 HN TYR 42 -4.734 -0.256 9.837 9 HB3 TYR 42 HB1 TYR 42 -8.360 0.552 10.397 No H/Q in entry = 9 In of MODEL 6 1 HA PRO 43 HA PRO 43 -6.023 1.295 5.464 2 HB2 PRO 43 HB2 PRO 43 -8.442 -0.107 4.434 3 HG2 PRO 43 HG2 PRO 43 -7.537 -2.236 4.687 4 HD2 PRO 43 HD2 PRO 43 -8.064 -1.754 6.881 5 HB3 PRO 43 HB1 PRO 43 -6.867 0.129 3.669 6 HG3 PRO 43 HG1 PRO 43 -5.885 -1.611 4.847 7 HD3 PRO 43 HD1 PRO 43 -6.313 -1.963 7.084 No H/Q in entry = 7 In of MODEL 6 1 HA3 GLY 44 HA2 GLY 44 -9.754 3.693 6.351 2 H GLY 44 HN GLY 44 -9.130 0.897 7.040 3 HA2 GLY 44 HA1 GLY 44 -10.973 2.445 6.136 No H/Q in entry = 3 In of MODEL 6 1 HA ASN 45 HA ASN 45 -13.447 3.392 9.640 2 HB2 ASN 45 HB2 ASN 45 -12.487 1.145 10.062 3 HD21 ASN 45 HD21 ASN 45 -13.559 0.297 11.689 4 HD22 ASN 45 HD22 ASN 45 -13.902 1.072 13.194 5 H ASN 45 HN ASN 45 -12.456 3.097 7.615 6 HB3 ASN 45 HB1 ASN 45 -11.032 1.906 10.699 No H/Q in entry = 6 In of MODEL 6 1 HA3 GLY 46 HA2 GLY 46 -10.837 6.717 11.050 2 H GLY 46 HN GLY 46 -13.052 5.683 9.415 3 HA2 GLY 46 HA1 GLY 46 -11.746 7.639 9.862 No H/Q in entry = 3 In of MODEL 7 1 H1 ALA 1 HT3 ALA 1 11.993 6.765 -1.096 2 H2 ALA 1 HT2 ALA 1 11.004 5.602 -0.310 3 H3 ALA 1 HT1 ALA 1 10.720 7.278 -0.068 4 HA ALA 1 HA ALA 1 11.787 6.417 1.816 5 HB1 ALA 1 HB1 ALA 1 14.065 5.561 0.050 6 HB3 ALA 1 HB2 ALA 1 12.773 4.468 0.547 7 HB2 ALA 1 HB3 ALA 1 13.817 5.209 1.760 No H/Q in entry = 7 In of MODEL 7 1 HA MET 2 HA MET 2 14.707 9.794 0.877 2 HB2 MET 2 HB2 MET 2 16.587 10.050 -0.684 3 H MET 2 HN MET 2 13.809 7.609 -0.873 4 HG2 MET 2 HG2 MET 2 15.387 7.688 -2.110 5 HE1 MET 2 HE1 MET 2 16.821 6.110 -1.674 6 HB3 MET 2 HB1 MET 2 16.508 8.420 -0.030 7 HE3 MET 2 HE2 MET 2 18.582 6.097 -1.770 8 HE2 MET 2 HE3 MET 2 17.617 5.794 -3.215 9 HG3 MET 2 HG1 MET 2 15.614 9.311 -2.761 No H/Q in entry = 9 In of MODEL 7 1 HA ASP 3 HA ASP 3 12.356 11.787 -2.476 2 HB2 ASP 3 HB2 ASP 3 14.715 11.452 -3.706 3 H ASP 3 HN ASP 3 13.503 9.104 -2.383 4 HB3 ASP 3 HB1 ASP 3 13.655 10.873 -4.988 No H/Q in entry = 4 In of MODEL 7 1 HA CYS 4 HA CYS 4 10.132 9.188 -5.632 2 HB2 CYS 4 HB2 CYS 4 12.484 7.441 -6.140 3 H CYS 4 HN CYS 4 12.811 8.971 -4.624 4 HB3 CYS 4 HB1 CYS 4 10.900 6.793 -6.553 No H/Q in entry = 4 In of MODEL 7 1 HA THR 5 HA THR 5 8.177 6.885 -2.524 2 HB THR 5 HB THR 5 5.913 6.320 -3.100 3 HG1 THR 5 HG1 THR 5 5.342 5.815 -5.052 4 HG22 THR 5 HG21 THR 5 5.603 8.552 -4.753 5 HG21 THR 5 HG22 THR 5 6.960 8.916 -3.687 6 HG23 THR 5 HG23 THR 5 5.398 8.463 -3.004 7 H THR 5 HN THR 5 8.351 8.075 -5.052 No H/Q in entry = 7 In of MODEL 7 1 HA THR 6 HA THR 6 8.926 2.735 -3.740 2 HB THR 6 HB THR 6 11.145 1.998 -2.770 3 HG1 THR 6 HG1 THR 6 11.991 3.195 -1.294 4 HG22 THR 6 HG21 THR 6 11.534 4.603 -4.171 5 HG21 THR 6 HG22 THR 6 10.814 3.230 -5.012 6 HG23 THR 6 HG23 THR 6 12.436 3.096 -4.331 7 H THR 6 HN THR 6 9.112 5.047 -1.927 No H/Q in entry = 7 In of MODEL 7 1 HA3 GLY 7 HA2 GLY 7 8.473 0.049 -0.227 2 H GLY 7 HN GLY 7 8.143 0.913 -2.858 3 HA2 GLY 7 HA1 GLY 7 6.972 0.962 -0.285 No H/Q in entry = 3 In of MODEL 7 1 HA PRO 8 HA PRO 8 5.908 -3.406 -1.351 2 HB2 PRO 8 HB2 PRO 8 3.541 -3.418 -0.025 3 HG2 PRO 8 HG2 PRO 8 3.508 -1.219 0.720 4 HD2 PRO 8 HD2 PRO 8 5.403 0.093 0.724 5 HB3 PRO 8 HB1 PRO 8 5.084 -3.765 0.764 6 HG3 PRO 8 HG1 PRO 8 4.341 -1.997 2.080 7 HD3 PRO 8 HD1 PRO 8 6.403 -1.185 1.444 No H/Q in entry = 7 In of MODEL 7 1 HA CYS 9 HA CYS 9 2.200 -1.546 -3.464 2 HB2 CYS 9 HB2 CYS 9 2.214 0.838 -1.708 3 H CYS 9 HN CYS 9 3.941 -0.471 -1.404 4 HB3 CYS 9 HB1 CYS 9 1.479 1.055 -3.293 No H/Q in entry = 4 In of MODEL 7 1 HA CYS 10 HA CYS 10 4.344 2.056 -5.787 2 HB2 CYS 10 HB2 CYS 10 6.786 2.218 -4.019 3 H CYS 10 HN CYS 10 4.463 1.184 -3.133 4 HB3 CYS 10 HB1 CYS 10 6.334 3.305 -5.328 No H/Q in entry = 4 In of MODEL 7 1 HA ARG 11 HA ARG 11 7.290 -0.760 -7.473 2 HB2 ARG 11 HB2 ARG 11 4.900 -0.855 -8.633 3 HG2 ARG 11 HG2 ARG 11 6.145 -2.295 -10.520 4 HD2 ARG 11 HD2 ARG 11 6.155 -3.212 -7.660 5 HE ARG 11 HE ARG 11 6.554 -5.137 -8.823 6 HH11 ARG 11 HH11 ARG 11 4.153 -3.276 -10.540 7 HH12 ARG 11 HH12 ARG 11 3.825 -4.528 -11.691 8 HH21 ARG 11 HH21 ARG 11 6.125 -6.784 -10.336 9 HH22 ARG 11 HH22 ARG 11 4.944 -6.519 -11.575 10 H ARG 11 HN ARG 11 5.566 1.625 -7.602 11 HB3 ARG 11 HB1 ARG 11 5.789 -0.148 -9.975 12 HG3 ARG 11 HG1 ARG 11 7.444 -2.170 -9.332 13 HD3 ARG 11 HD1 ARG 11 4.660 -3.007 -8.573 No H/Q in entry = 13 In of MODEL 7 1 HA GLN 12 HA GLN 12 10.908 1.758 -8.120 2 HB2 GLN 12 HB2 GLN 12 10.845 0.016 -9.862 3 HG2 GLN 12 HG2 GLN 12 11.616 1.664 -11.839 4 HE21 GLN 12 HE21 GLN 12 13.896 1.781 -12.070 5 HE22 GLN 12 HE22 GLN 12 14.932 0.837 -11.060 6 H GLN 12 HN GLN 12 9.113 0.625 -7.305 7 HB3 GLN 12 HB1 GLN 12 9.742 1.007 -10.808 8 HG3 GLN 12 HG1 GLN 12 11.770 2.746 -10.456 No H/Q in entry = 8 In of MODEL 7 1 HA CYS 13 HA CYS 13 8.916 5.765 -7.269 2 HB2 CYS 13 HB2 CYS 13 11.074 5.913 -8.577 3 H CYS 13 HN CYS 13 9.579 3.592 -7.188 4 HB3 CYS 13 HB1 CYS 13 10.107 5.821 -10.045 No H/Q in entry = 4 In of MODEL 7 1 HA LYS 14 HA LYS 14 5.122 6.000 -9.283 2 HB2 LYS 14 HB2 LYS 14 5.939 3.228 -9.958 3 HG2 LYS 14 HG2 LYS 14 5.303 5.733 -11.404 4 HD2 LYS 14 HD2 LYS 14 4.766 2.973 -12.436 5 HE2 LYS 14 HE2 LYS 14 4.979 3.705 -14.687 6 HZ2 LYS 14 HZ1 LYS 14 7.257 3.886 -14.884 7 HZ1 LYS 14 HZ2 LYS 14 7.097 3.182 -13.355 8 HZ3 LYS 14 HZ3 LYS 14 7.423 4.836 -13.494 9 H LYS 14 HN LYS 14 6.754 4.607 -7.435 10 HB3 LYS 14 HB1 LYS 14 4.241 3.624 -10.179 11 HG3 LYS 14 HG1 LYS 14 6.623 4.587 -11.643 12 HD3 LYS 14 HD1 LYS 14 3.788 4.432 -12.602 13 HE3 LYS 14 HE1 LYS 14 5.296 5.364 -14.184 No H/Q in entry = 13 In of MODEL 7 1 HA LEU 15 HA LEU 15 2.851 4.804 -5.676 2 HB2 LEU 15 HB2 LEU 15 2.058 7.499 -6.655 3 HG LEU 15 HG LEU 15 3.812 7.083 -4.836 4 HD13 LEU 15 HD11 LEU 15 3.016 9.281 -5.175 5 HD12 LEU 15 HD12 LEU 15 2.895 8.976 -3.443 6 HD11 LEU 15 HD13 LEU 15 1.452 8.906 -4.453 7 HD22 LEU 15 HD21 LEU 15 2.907 5.471 -3.440 8 HD21 LEU 15 HD22 LEU 15 1.307 6.213 -3.451 9 HD23 LEU 15 HD23 LEU 15 2.619 6.961 -2.540 10 H LEU 15 HN LEU 15 3.644 6.533 -7.800 11 HB3 LEU 15 HB1 LEU 15 0.936 6.652 -5.608 No H/Q in entry = 11 In of MODEL 7 1 HA LYS 16 HA LYS 16 -0.206 2.738 -8.008 2 HB2 LYS 16 HB2 LYS 16 -0.242 1.441 -5.277 3 HG2 LYS 16 HG2 LYS 16 1.892 1.219 -6.573 4 HD2 LYS 16 HD2 LYS 16 0.415 -0.660 -8.365 5 HE2 LYS 16 HE2 LYS 16 2.730 0.918 -9.268 6 HZ3 LYS 16 HZ1 LYS 16 3.318 -1.634 -9.677 7 HZ2 LYS 16 HZ2 LYS 16 2.360 -0.729 -10.738 8 HZ1 LYS 16 HZ3 LYS 16 1.631 -1.752 -9.605 9 H LYS 16 HN LYS 16 1.297 3.315 -5.622 10 HB3 LYS 16 HB1 LYS 16 -1.087 0.828 -6.692 11 HG3 LYS 16 HG1 LYS 16 1.081 -0.299 -6.179 12 HD3 LYS 16 HD1 LYS 16 0.528 1.049 -8.790 13 HE3 LYS 16 HE1 LYS 16 3.051 -0.223 -7.962 No H/Q in entry = 13 In of MODEL 7 1 HA PRO 17 HA PRO 17 -4.029 4.798 -7.319 2 HB2 PRO 17 HB2 PRO 17 -5.347 2.138 -7.591 3 HG2 PRO 17 HG2 PRO 17 -4.362 1.663 -9.646 4 HD2 PRO 17 HD2 PRO 17 -2.581 1.257 -8.238 5 HB3 PRO 17 HB1 PRO 17 -5.671 3.648 -8.451 6 HG3 PRO 17 HG1 PRO 17 -3.892 3.352 -9.910 7 HD3 PRO 17 HD1 PRO 17 -1.849 2.560 -9.197 No H/Q in entry = 7 In of MODEL 7 1 HA ALA 18 HA ALA 18 -4.803 4.249 -3.081 2 HB1 ALA 18 HB1 ALA 18 -5.597 6.519 -3.369 3 HB2 ALA 18 HB2 ALA 18 -6.702 5.624 -2.326 4 HB3 ALA 18 HB3 ALA 18 -7.130 5.928 -4.009 5 H ALA 18 HN ALA 18 -5.301 5.328 -5.614 No H/Q in entry = 5 In of MODEL 7 1 HA3 GLY 19 HA2 GLY 19 -7.191 0.916 -1.596 2 H GLY 19 HN GLY 19 -5.304 2.250 -2.457 3 HA2 GLY 19 HA1 GLY 19 -7.999 1.234 -3.124 No H/Q in entry = 3 In of MODEL 7 1 HA THR 20 HA THR 20 -5.071 -1.967 -4.411 2 HB THR 20 HB THR 20 -2.436 -0.676 -3.689 3 HG1 THR 20 HG1 THR 20 -4.153 -0.275 -5.901 4 HG23 THR 20 HG21 THR 20 -1.840 -2.747 -4.481 5 HG22 THR 20 HG22 THR 20 -1.851 -1.783 -5.958 6 HG21 THR 20 HG23 THR 20 -3.213 -2.840 -5.584 7 H THR 20 HN THR 20 -4.597 0.412 -2.771 No H/Q in entry = 7 In of MODEL 7 1 HA THR 21 HA THR 21 -4.349 -4.615 -1.079 2 HB THR 21 HB THR 21 -3.731 -6.923 -1.828 3 HG1 THR 21 HG1 THR 21 -2.997 -7.245 -3.765 4 HG21 THR 21 HG21 THR 21 -6.051 -5.426 -2.736 5 HG23 THR 21 HG22 THR 21 -5.942 -7.028 -2.005 6 HG22 THR 21 HG23 THR 21 -5.685 -6.829 -3.739 7 H THR 21 HN THR 21 -4.219 -4.001 -3.856 No H/Q in entry = 7 In of MODEL 7 1 HA CYS 22 HA CYS 22 -0.042 -3.990 -0.501 2 HB2 CYS 22 HB2 CYS 22 -1.605 -3.472 1.954 3 H CYS 22 HN CYS 22 -2.784 -4.360 0.358 4 HB3 CYS 22 HB1 CYS 22 0.084 -3.896 2.209 No H/Q in entry = 4 In of MODEL 7 1 HA TRP 23 HA TRP 23 0.286 -8.242 1.010 2 HB2 TRP 23 HB2 TRP 23 -0.072 -7.241 3.360 3 HD1 TRP 23 HD1 TRP 23 1.656 -9.574 1.784 4 HE1 TRP 23 HE1 TRP 23 2.535 -11.535 3.200 5 HE3 TRP 23 HE3 TRP 23 -1.508 -9.175 5.780 6 HZ2 TRP 23 HZ2 TRP 23 1.963 -12.753 5.681 7 HZ3 TRP 23 HZ3 TRP 23 -1.276 -10.777 7.633 8 HH2 TRP 23 HH2 TRP 23 0.424 -12.529 7.583 9 H TRP 23 HN TRP 23 -1.981 -6.387 1.158 10 HB3 TRP 23 HB1 TRP 23 -1.531 -8.225 3.410 No H/Q in entry = 10 In of MODEL 7 1 HA ARG 24 HA ARG 24 -3.276 -10.394 -0.515 2 HB2 ARG 24 HB2 ARG 24 -1.096 -10.374 -2.518 3 HG2 ARG 24 HG2 ARG 24 -3.460 -9.068 -2.324 4 HD2 ARG 24 HD2 ARG 24 -3.948 -11.096 -4.472 5 HE ARG 24 HE ARG 24 -5.577 -9.512 -4.758 6 HH11 ARG 24 HH11 ARG 24 -5.295 -10.252 -1.359 7 HH12 ARG 24 HH12 ARG 24 -6.707 -9.352 -0.918 8 HH21 ARG 24 HH21 ARG 24 -7.435 -8.327 -4.179 9 HH22 ARG 24 HH22 ARG 24 -7.922 -8.260 -2.519 10 H ARG 24 HN ARG 24 -0.509 -9.503 -0.591 11 HB3 ARG 24 HB1 ARG 24 -2.225 -11.717 -2.622 12 HG3 ARG 24 HG1 ARG 24 -2.576 -9.330 -3.829 13 HD3 ARG 24 HD1 ARG 24 -4.529 -11.368 -2.829 No H/Q in entry = 13 In of MODEL 7 1 HA THR 25 HA THR 25 -1.602 -14.167 1.108 2 HB THR 25 HB THR 25 -1.904 -14.089 3.783 3 HG1 THR 25 HG1 THR 25 -1.457 -11.986 4.487 4 HG22 THR 25 HG21 THR 25 0.387 -12.601 2.559 5 HG21 THR 25 HG22 THR 25 0.219 -14.350 2.409 6 HG23 THR 25 HG23 THR 25 0.367 -13.612 4.003 7 H THR 25 HN THR 25 -2.882 -11.551 1.542 No H/Q in entry = 7 In of MODEL 7 1 HA SER 26 HA SER 26 -6.714 -13.413 1.547 2 HB2 SER 26 HB2 SER 26 -5.379 -15.487 0.428 3 HG SER 26 HG SER 26 -7.318 -15.963 -0.259 4 H SER 26 HN SER 26 -4.584 -12.598 1.551 5 HB3 SER 26 HB1 SER 26 -5.973 -16.260 1.898 No H/Q in entry = 5 In of MODEL 7 1 HA VAL 27 HA VAL 27 -6.525 -14.433 5.918 2 HB VAL 27 HB VAL 27 -4.818 -13.378 7.512 3 H VAL 27 HN VAL 27 -5.181 -12.743 3.913 No H/Q in entry = 3 In of MODEL 7 1 HA SER 28 HA SER 28 -8.320 -10.226 6.120 2 HB2 SER 28 HB2 SER 28 -7.404 -8.740 7.694 3 HG SER 28 HG SER 28 -4.816 -9.259 6.660 4 H SER 28 HN SER 28 -5.972 -11.169 4.793 5 HB3 SER 28 HB1 SER 28 -6.444 -10.204 7.900 No H/Q in entry = 5 In of MODEL 7 1 HA SER 29 HA SER 29 -7.032 -6.945 3.320 2 HB2 SER 29 HB2 SER 29 -9.694 -6.174 4.531 3 HG SER 29 HG SER 29 -9.695 -8.175 3.488 4 H SER 29 HN SER 29 -7.965 -7.533 6.045 5 HB3 SER 29 HB1 SER 29 -9.044 -5.447 3.061 No H/Q in entry = 5 In of MODEL 7 1 HA HIS 30 HA HIS 30 -5.764 -3.336 5.479 2 HB2 HIS 30 HB2 HIS 30 -3.542 -4.648 4.011 3 HD1 HIS 30 HD1 HIS 30 -1.556 -5.117 5.736 4 HD2 HIS 30 HD2 HIS 30 -5.128 -3.789 7.392 5 HE1 HIS 30 HE1 HIS 30 -1.400 -5.651 8.188 6 HE2 HIS 30 HE2 HIS 30 -3.535 -4.759 9.184 7 H HIS 30 HN HIS 30 -5.732 -5.235 3.225 8 HB3 HIS 30 HB1 HIS 30 -3.301 -2.966 4.470 No H/Q in entry = 8 In of MODEL 7 1 HA TYR 31 HA TYR 31 -5.663 -2.262 0.259 2 HB2 TYR 31 HB2 TYR 31 -7.180 -0.669 2.335 3 HD1 TYR 31 HD1 TYR 31 -9.364 -1.313 2.839 4 HD2 TYR 31 HD2 TYR 31 -7.392 -3.087 -0.487 5 HE1 TYR 31 HE1 TYR 31 -11.232 -2.891 2.580 6 HE2 TYR 31 HE2 TYR 31 -9.255 -4.669 -0.756 7 HH TYR 31 HH TYR 31 -11.055 -5.649 0.638 8 H TYR 31 HN TYR 31 -5.370 -3.704 1.992 9 HB3 TYR 31 HB1 TYR 31 -7.205 -0.348 0.604 No H/Q in entry = 9 In of MODEL 7 1 HA CYS 32 HA CYS 32 -2.713 0.881 0.950 2 HB2 CYS 32 HB2 CYS 32 -2.587 -0.230 -1.532 3 H CYS 32 HN CYS 32 -4.849 -0.314 -0.667 4 HB3 CYS 32 HB1 CYS 32 -2.806 1.468 -1.940 No H/Q in entry = 4 In of MODEL 7 1 HA THR 33 HA THR 33 -4.881 4.611 1.241 2 HB THR 33 HB THR 33 -3.357 6.513 1.783 3 HG1 THR 33 HG1 THR 33 -1.296 4.585 1.552 4 HG22 THR 33 HG21 THR 33 -2.249 4.358 3.449 5 HG21 THR 33 HG22 THR 33 -4.007 4.485 3.409 6 HG23 THR 33 HG23 THR 33 -3.035 5.868 3.909 7 H THR 33 HN THR 33 -2.551 3.053 1.281 No H/Q in entry = 7 In of MODEL 7 1 HA3 GLY 34 HA2 GLY 34 -2.206 5.048 -3.232 2 H GLY 34 HN GLY 34 -2.029 4.677 -0.882 3 HA2 GLY 34 HA1 GLY 34 -3.708 5.916 -2.950 No H/Q in entry = 3 In of MODEL 7 1 HA ARG 35 HA ARG 35 -1.554 9.647 -2.405 2 HB2 ARG 35 HB2 ARG 35 -3.163 9.672 -0.245 3 HG2 ARG 35 HG2 ARG 35 -2.310 12.071 0.168 4 HD2 ARG 35 HD2 ARG 35 -2.990 11.827 -2.686 5 HE ARG 35 HE ARG 35 -3.457 13.725 -0.813 6 HH11 ARG 35 HH11 ARG 35 -5.541 11.742 -2.789 7 HH12 ARG 35 HH12 ARG 35 -6.806 12.922 -2.859 8 HH21 ARG 35 HH21 ARG 35 -5.121 15.278 -0.903 9 HH22 ARG 35 HH22 ARG 35 -6.568 14.930 -1.789 10 H ARG 35 HN ARG 35 -2.749 7.580 -0.835 11 HB3 ARG 35 HB1 ARG 35 -1.612 9.911 0.547 12 HG3 ARG 35 HG1 ARG 35 -1.270 11.768 -1.226 13 HD3 ARG 35 HD1 ARG 35 -4.100 11.033 -1.571 No H/Q in entry = 13 In of MODEL 7 1 HA SER 36 HA SER 36 2.336 8.200 -0.605 2 HB2 SER 36 HB2 SER 36 1.032 7.961 2.077 3 HG SER 36 HG SER 36 2.953 9.672 0.889 4 H SER 36 HN SER 36 -0.411 7.346 -0.027 5 HB3 SER 36 HB1 SER 36 2.739 7.544 1.920 No H/Q in entry = 5 In of MODEL 7 1 HA CYS 37 HA CYS 37 3.182 3.991 -0.953 2 HB2 CYS 37 HB2 CYS 37 5.545 5.299 -0.753 3 H CYS 37 HN CYS 37 3.947 6.520 0.119 4 HB3 CYS 37 HB1 CYS 37 5.705 4.163 0.582 No H/Q in entry = 4 In of MODEL 7 1 HA GLU 38 HA GLU 38 3.663 2.887 3.703 2 HB2 GLU 38 HB2 GLU 38 2.397 5.465 4.638 3 HG2 GLU 38 HG2 GLU 38 5.298 4.670 4.630 4 H GLU 38 HN GLU 38 3.536 5.299 2.263 5 HB3 GLU 38 HB1 GLU 38 3.071 4.188 5.641 6 HG3 GLU 38 HG1 GLU 38 4.568 6.056 3.822 No H/Q in entry = 6 In of MODEL 7 1 HA CYS 39 HA CYS 39 -0.568 1.850 3.350 2 HB2 CYS 39 HB2 CYS 39 1.109 -0.317 3.191 3 H CYS 39 HN CYS 39 2.159 1.452 4.332 4 HB3 CYS 39 HB1 CYS 39 0.088 -0.747 4.558 No H/Q in entry = 4 In of MODEL 7 1 HA PRO 40 HA PRO 40 -2.379 2.713 7.276 2 HB2 PRO 40 HB2 PRO 40 -4.425 0.684 6.516 3 HG2 PRO 40 HG2 PRO 40 -4.941 1.702 4.487 4 HD2 PRO 40 HD2 PRO 40 -2.937 0.696 3.945 5 HB3 PRO 40 HB1 PRO 40 -4.641 2.355 7.049 6 HG3 PRO 40 HG1 PRO 40 -4.161 3.225 4.953 7 HD3 PRO 40 HD1 PRO 40 -2.464 2.380 3.641 No H/Q in entry = 7 In of MODEL 7 1 HA SER 41 HA SER 41 -2.328 -1.225 9.506 2 HB2 SER 41 HB2 SER 41 -0.510 0.277 10.258 3 HG SER 41 HG SER 41 -0.528 -1.583 11.399 4 H SER 41 HN SER 41 -3.393 1.470 9.193 5 HB3 SER 41 HB1 SER 41 -1.616 1.014 11.417 No H/Q in entry = 5 In of MODEL 7 1 HA TYR 42 HA TYR 42 -6.135 -1.357 11.631 2 HB2 TYR 42 HB2 TYR 42 -5.583 1.135 12.222 3 HD1 TYR 42 HD1 TYR 42 -5.850 -0.481 14.187 4 HD2 TYR 42 HD2 TYR 42 -9.150 1.307 12.183 5 HE1 TYR 42 HE1 TYR 42 -7.279 -0.955 16.130 6 HE2 TYR 42 HE2 TYR 42 -10.588 0.839 14.122 7 HH TYR 42 HH TYR 42 -9.653 0.297 17.019 8 H TYR 42 HN TYR 42 -4.991 -0.075 9.327 9 HB3 TYR 42 HB1 TYR 42 -7.009 1.485 11.251 No H/Q in entry = 9 In of MODEL 7 1 HA PRO 43 HA PRO 43 -8.488 -2.048 7.716 2 HB2 PRO 43 HB2 PRO 43 -9.519 -4.168 9.544 3 HG2 PRO 43 HG2 PRO 43 -7.452 -5.215 9.768 4 HD2 PRO 43 HD2 PRO 43 -7.130 -3.401 11.152 5 HB3 PRO 43 HB1 PRO 43 -9.039 -4.281 7.847 6 HG3 PRO 43 HG1 PRO 43 -6.777 -4.380 8.356 7 HD3 PRO 43 HD1 PRO 43 -5.838 -3.050 9.986 No H/Q in entry = 7 In of MODEL 7 1 HA3 GLY 44 HA2 GLY 44 -12.538 -0.628 8.320 2 H GLY 44 HN GLY 44 -9.917 -0.367 7.687 3 HA2 GLY 44 HA1 GLY 44 -11.846 0.012 9.803 No H/Q in entry = 3 In of MODEL 7 1 HA ASN 45 HA ASN 45 -10.916 3.778 7.519 2 HB2 ASN 45 HB2 ASN 45 -13.413 3.699 9.121 3 HD21 ASN 45 HD21 ASN 45 -11.839 4.991 6.216 4 HD22 ASN 45 HD22 ASN 45 -13.054 4.452 5.112 5 H ASN 45 HN ASN 45 -10.982 2.119 9.817 6 HB3 ASN 45 HB1 ASN 45 -12.821 5.293 8.664 No H/Q in entry = 6 In of MODEL 7 1 HA3 GLY 46 HA2 GLY 46 -9.417 6.481 10.696 2 H GLY 46 HN GLY 46 -9.809 5.647 7.912 3 HA2 GLY 46 HA1 GLY 46 -7.997 6.050 9.755 No H/Q in entry = 3 In of MODEL 8 1 H1 ALA 1 HT3 ALA 1 20.204 12.102 -2.286 2 H2 ALA 1 HT2 ALA 1 20.769 10.509 -1.988 3 H3 ALA 1 HT1 ALA 1 21.879 11.816 -2.063 4 HA ALA 1 HA ALA 1 21.488 12.132 -4.331 5 HB3 ALA 1 HB1 ALA 1 23.171 10.538 -3.947 6 HB1 ALA 1 HB2 ALA 1 22.131 9.825 -5.180 7 HB2 ALA 1 HB3 ALA 1 22.005 9.291 -3.504 No H/Q in entry = 7 In of MODEL 8 1 HA MET 2 HA MET 2 17.319 12.548 -5.807 2 HB2 MET 2 HB2 MET 2 18.133 9.758 -6.609 3 H MET 2 HN MET 2 19.357 12.747 -4.818 4 HG2 MET 2 HG2 MET 2 18.769 12.240 -8.173 5 HE3 MET 2 HE1 MET 2 21.082 11.029 -10.591 6 HB3 MET 2 HB1 MET 2 17.013 10.837 -7.430 7 HE2 MET 2 HE2 MET 2 21.825 9.975 -9.387 8 HE1 MET 2 HE3 MET 2 21.346 11.615 -8.949 9 HG3 MET 2 HG1 MET 2 19.939 11.440 -7.126 No H/Q in entry = 9 In of MODEL 8 1 HA ASP 3 HA ASP 3 15.027 9.218 -3.730 2 HB2 ASP 3 HB2 ASP 3 14.824 11.647 -2.774 3 H ASP 3 HN ASP 3 15.275 11.153 -5.860 4 HB3 ASP 3 HB1 ASP 3 13.223 11.604 -3.507 No H/Q in entry = 4 In of MODEL 8 1 HA CYS 4 HA CYS 4 10.999 8.796 -5.716 2 HB2 CYS 4 HB2 CYS 4 12.798 7.613 -7.005 3 H CYS 4 HN CYS 4 12.948 8.167 -3.702 4 HB3 CYS 4 HB1 CYS 4 12.515 6.196 -6.001 No H/Q in entry = 4 In of MODEL 8 1 HA THR 5 HA THR 5 8.541 6.728 -2.835 2 HB THR 5 HB THR 5 6.281 6.181 -3.725 3 HG1 THR 5 HG1 THR 5 5.886 6.711 -5.920 4 HG22 THR 5 HG21 THR 5 7.003 8.823 -4.900 5 HG21 THR 5 HG22 THR 5 7.076 8.577 -3.155 6 HG23 THR 5 HG23 THR 5 5.555 8.341 -4.016 7 H THR 5 HN THR 5 9.065 7.620 -5.480 No H/Q in entry = 7 In of MODEL 8 1 HA THR 6 HA THR 6 8.879 2.447 -3.718 2 HB THR 6 HB THR 6 11.030 1.584 -2.611 3 HG1 THR 6 HG1 THR 6 11.104 3.462 -1.160 4 HG21 THR 6 HG21 THR 6 10.768 3.391 -4.887 5 HG23 THR 6 HG22 THR 6 11.604 1.844 -4.748 6 HG22 THR 6 HG23 THR 6 12.390 3.323 -4.197 7 H THR 6 HN THR 6 9.280 4.855 -2.081 No H/Q in entry = 7 In of MODEL 8 1 HA3 GLY 7 HA2 GLY 7 8.207 -0.157 -0.158 2 H GLY 7 HN GLY 7 7.979 0.757 -2.679 3 HA2 GLY 7 HA1 GLY 7 7.085 1.180 0.045 No H/Q in entry = 3 In of MODEL 8 1 HA PRO 8 HA PRO 8 4.833 -2.909 -0.869 2 HB2 PRO 8 HB2 PRO 8 3.114 -1.617 1.196 3 HG2 PRO 8 HG2 PRO 8 4.693 -1.829 2.894 4 HD2 PRO 8 HD2 PRO 8 5.590 -0.052 1.728 5 HB3 PRO 8 HB1 PRO 8 3.556 -3.317 1.003 6 HG3 PRO 8 HG1 PRO 8 5.637 -3.025 1.986 7 HD3 PRO 8 HD1 PRO 8 6.947 -1.181 1.542 No H/Q in entry = 7 In of MODEL 8 1 HA CYS 9 HA CYS 9 1.551 -0.009 -2.278 2 HB2 CYS 9 HB2 CYS 9 1.115 1.045 0.006 3 H CYS 9 HN CYS 9 3.679 0.401 -0.307 4 HB3 CYS 9 HB1 CYS 9 1.985 2.454 -0.592 No H/Q in entry = 4 In of MODEL 8 1 HA CYS 10 HA CYS 10 4.041 2.296 -5.035 2 HB2 CYS 10 HB2 CYS 10 6.407 2.191 -3.152 3 H CYS 10 HN CYS 10 4.336 0.177 -3.075 4 HB3 CYS 10 HB1 CYS 10 6.305 3.210 -4.585 No H/Q in entry = 4 In of MODEL 8 1 HA ARG 11 HA ARG 11 6.842 -0.383 -7.132 2 HB2 ARG 11 HB2 ARG 11 4.321 -1.294 -7.188 3 HG2 ARG 11 HG2 ARG 11 6.672 -2.453 -7.666 4 HD2 ARG 11 HD2 ARG 11 5.271 -3.060 -10.222 5 HE ARG 11 HE ARG 11 7.841 -3.636 -9.121 6 HH11 ARG 11 HH11 ARG 11 6.114 -3.138 -12.113 7 HH12 ARG 11 HH12 ARG 11 7.217 -4.086 -13.053 8 HH21 ARG 11 HH21 ARG 11 9.293 -4.882 -10.356 9 HH22 ARG 11 HH22 ARG 11 9.022 -5.077 -12.055 10 H ARG 11 HN ARG 11 4.698 1.598 -6.961 11 HB3 ARG 11 HB1 ARG 11 4.493 -0.863 -8.884 12 HG3 ARG 11 HG1 ARG 11 5.128 -3.262 -7.940 13 HD3 ARG 11 HD1 ARG 11 6.296 -1.628 -10.138 No H/Q in entry = 13 In of MODEL 8 1 HA GLN 12 HA GLN 12 8.791 0.433 -11.049 2 HB2 GLN 12 HB2 GLN 12 5.886 1.047 -11.341 3 HG2 GLN 12 HG2 GLN 12 7.848 -0.769 -12.554 4 HE21 GLN 12 HE21 GLN 12 4.814 0.712 -13.660 5 HE22 GLN 12 HE22 GLN 12 5.222 0.698 -15.339 6 H GLN 12 HN GLN 12 7.889 -0.465 -9.164 7 HB3 GLN 12 HB1 GLN 12 7.013 1.803 -12.458 8 HG3 GLN 12 HG1 GLN 12 6.122 -0.983 -12.267 No H/Q in entry = 8 In of MODEL 8 1 HA CYS 13 HA CYS 13 9.749 3.903 -7.835 2 HB2 CYS 13 HB2 CYS 13 10.895 3.635 -10.264 3 H CYS 13 HN CYS 13 9.014 1.896 -8.609 4 HB3 CYS 13 HB1 CYS 13 9.979 5.114 -10.529 No H/Q in entry = 4 In of MODEL 8 1 HA LYS 14 HA LYS 14 6.116 6.306 -8.118 2 HB2 LYS 14 HB2 LYS 14 5.809 5.492 -10.479 3 HG2 LYS 14 HG2 LYS 14 3.123 5.985 -9.247 4 HD2 LYS 14 HD2 LYS 14 4.407 6.996 -11.782 5 HE2 LYS 14 HE2 LYS 14 1.483 6.943 -11.424 6 HZ1 LYS 14 HZ1 LYS 14 3.497 8.587 -12.756 7 HZ3 LYS 14 HZ2 LYS 14 2.051 9.342 -12.309 8 HZ2 LYS 14 HZ3 LYS 14 2.021 8.001 -13.340 9 H LYS 14 HN LYS 14 6.943 3.523 -8.151 10 HB3 LYS 14 HB1 LYS 14 4.653 4.320 -9.862 11 HG3 LYS 14 HG1 LYS 14 4.333 7.263 -9.378 12 HD3 LYS 14 HD1 LYS 14 3.299 5.626 -11.692 13 HE3 LYS 14 HE1 LYS 14 2.353 8.120 -10.441 No H/Q in entry = 13 In of MODEL 8 1 HA LEU 15 HA LEU 15 3.441 4.683 -5.125 2 HB2 LEU 15 HB2 LEU 15 3.205 7.348 -5.251 3 HG LEU 15 HG LEU 15 2.855 5.705 -3.224 4 HD11 LEU 15 HD11 LEU 15 1.695 8.483 -3.358 5 HD13 LEU 15 HD12 LEU 15 3.367 8.056 -2.995 6 HD12 LEU 15 HD13 LEU 15 2.080 7.612 -1.874 7 HD21 LEU 15 HD21 LEU 15 0.120 6.194 -4.254 8 HD23 LEU 15 HD22 LEU 15 0.354 6.255 -2.507 9 HD22 LEU 15 HD23 LEU 15 0.780 4.797 -3.402 10 H LEU 15 HN LEU 15 3.861 6.541 -7.308 11 HB3 LEU 15 HB1 LEU 15 1.548 6.912 -5.624 No H/Q in entry = 11 In of MODEL 8 1 HA LYS 16 HA LYS 16 0.224 2.579 -7.117 2 HB2 LYS 16 HB2 LYS 16 0.280 1.807 -4.244 3 HG2 LYS 16 HG2 LYS 16 0.175 0.018 -6.648 4 HD2 LYS 16 HD2 LYS 16 1.756 -0.532 -4.199 5 HE2 LYS 16 HE2 LYS 16 -0.096 -2.299 -5.780 6 HZ2 LYS 16 HZ1 LYS 16 0.901 -4.037 -4.718 7 HZ1 LYS 16 HZ2 LYS 16 0.956 -2.885 -3.481 8 HZ3 LYS 16 HZ3 LYS 16 2.336 -3.195 -4.409 9 H LYS 16 HN LYS 16 1.542 3.520 -4.740 10 HB3 LYS 16 HB1 LYS 16 -1.124 1.321 -5.185 11 HG3 LYS 16 HG1 LYS 16 1.681 0.747 -6.085 12 HD3 LYS 16 HD1 LYS 16 -0.001 -0.646 -4.076 13 HE3 LYS 16 HE1 LYS 16 1.592 -2.038 -6.217 No H/Q in entry = 13 In of MODEL 8 1 HA PRO 17 HA PRO 17 -3.395 5.092 -7.001 2 HB2 PRO 17 HB2 PRO 17 -5.290 3.376 -7.912 3 HG2 PRO 17 HG2 PRO 17 -4.143 1.373 -7.666 4 HD2 PRO 17 HD2 PRO 17 -1.860 1.307 -7.356 5 HB3 PRO 17 HB1 PRO 17 -4.046 4.073 -8.956 6 HG3 PRO 17 HG1 PRO 17 -3.659 1.808 -9.316 7 HD3 PRO 17 HD1 PRO 17 -1.553 2.475 -8.657 No H/Q in entry = 7 In of MODEL 8 1 HA ALA 18 HA ALA 18 -5.250 4.411 -3.138 2 HB3 ALA 18 HB1 ALA 18 -5.780 6.732 -3.371 3 HB2 ALA 18 HB2 ALA 18 -7.231 5.895 -2.821 4 HB1 ALA 18 HB3 ALA 18 -7.077 6.375 -4.511 5 H ALA 18 HN ALA 18 -5.029 5.650 -5.636 No H/Q in entry = 5 In of MODEL 8 1 HA3 GLY 19 HA2 GLY 19 -8.306 1.369 -3.030 2 H GLY 19 HN GLY 19 -5.752 2.237 -3.301 3 HA2 GLY 19 HA1 GLY 19 -8.074 1.353 -4.772 No H/Q in entry = 3 In of MODEL 8 1 HA THR 20 HA THR 20 -5.392 -2.100 -4.670 2 HB THR 20 HB THR 20 -2.789 -0.918 -3.854 3 HG1 THR 20 HG1 THR 20 -4.087 -0.265 -6.288 4 HG22 THR 20 HG21 THR 20 -2.091 -2.089 -5.989 5 HG21 THR 20 HG22 THR 20 -3.707 -2.797 -6.000 6 HG23 THR 20 HG23 THR 20 -2.616 -3.110 -4.650 7 H THR 20 HN THR 20 -5.198 0.687 -4.459 No H/Q in entry = 7 In of MODEL 8 1 HA THR 21 HA THR 21 -4.727 -3.108 -0.462 2 HB THR 21 HB THR 21 -4.614 -5.762 -0.426 3 HG1 THR 21 HG1 THR 21 -5.358 -6.653 -2.311 4 HG23 THR 21 HG21 THR 21 -6.599 -4.896 0.345 5 HG22 THR 21 HG22 THR 21 -7.112 -5.767 -1.100 6 HG21 THR 21 HG23 THR 21 -6.918 -4.015 -1.149 7 H THR 21 HN THR 21 -4.297 -3.714 -3.306 No H/Q in entry = 7 In of MODEL 8 1 HA CYS 22 HA CYS 22 -0.386 -3.474 -0.120 2 HB2 CYS 22 HB2 CYS 22 -1.603 -2.455 2.392 3 H CYS 22 HN CYS 22 -3.030 -2.996 0.847 4 HB3 CYS 22 HB1 CYS 22 0.027 -3.109 2.503 No H/Q in entry = 4 In of MODEL 8 1 HA TRP 23 HA TRP 23 -1.101 -7.633 1.612 2 HB2 TRP 23 HB2 TRP 23 -0.205 -6.322 3.665 3 HD1 TRP 23 HD1 TRP 23 0.458 -9.031 2.130 4 HE1 TRP 23 HE1 TRP 23 1.211 -11.092 3.476 5 HE3 TRP 23 HE3 TRP 23 -1.413 -7.739 6.709 6 HZ2 TRP 23 HZ2 TRP 23 1.035 -12.043 6.127 7 HZ3 TRP 23 HZ3 TRP 23 -1.078 -9.280 8.597 8 HH2 TRP 23 HH2 TRP 23 0.120 -11.387 8.311 9 H TRP 23 HN TRP 23 -2.652 -5.223 1.893 10 HB3 TRP 23 HB1 TRP 23 -1.707 -6.815 4.441 No H/Q in entry = 10 In of MODEL 8 1 HA ARG 24 HA ARG 24 -4.902 -9.515 2.722 2 HB2 ARG 24 HB2 ARG 24 -5.703 -7.736 1.230 3 HG2 ARG 24 HG2 ARG 24 -6.852 -10.451 1.065 4 HD2 ARG 24 HD2 ARG 24 -6.924 -9.157 -1.257 5 HE ARG 24 HE ARG 24 -8.425 -7.403 0.223 6 HH11 ARG 24 HH11 ARG 24 -8.992 -9.459 -2.539 7 HH12 ARG 24 HH12 ARG 24 -10.197 -8.419 -3.223 8 HH21 ARG 24 HH21 ARG 24 -10.009 -6.035 -0.674 9 HH22 ARG 24 HH22 ARG 24 -10.774 -6.475 -2.164 10 H ARG 24 HN ARG 24 -2.576 -9.088 1.077 11 HB3 ARG 24 HB1 ARG 24 -5.248 -8.698 -0.169 12 HG3 ARG 24 HG1 ARG 24 -7.572 -8.942 1.629 13 HD3 ARG 24 HD1 ARG 24 -8.286 -10.105 -0.659 No H/Q in entry = 13 In of MODEL 8 1 HA THR 25 HA THR 25 -5.206 -13.458 0.828 2 HB THR 25 HB THR 25 -2.830 -13.013 0.483 3 HG1 THR 25 HG1 THR 25 -3.275 -15.545 1.679 4 HG22 THR 25 HG21 THR 25 -1.862 -14.318 2.889 5 HG21 THR 25 HG22 THR 25 -2.621 -12.757 3.201 6 HG23 THR 25 HG23 THR 25 -1.278 -12.873 2.064 7 H THR 25 HN THR 25 -4.990 -11.640 2.953 No H/Q in entry = 7 In of MODEL 8 1 HA SER 26 HA SER 26 -8.014 -14.933 4.048 2 HB2 SER 26 HB2 SER 26 -5.549 -16.687 3.906 3 HG SER 26 HG SER 26 -7.976 -16.706 2.442 4 H SER 26 HN SER 26 -6.955 -13.727 2.437 5 HB3 SER 26 HB1 SER 26 -7.106 -17.140 4.597 No H/Q in entry = 5 In of MODEL 8 1 HA VAL 27 HA VAL 27 -5.833 -13.525 7.614 2 HB VAL 27 HB VAL 27 -3.627 -13.509 6.536 3 H VAL 27 HN VAL 27 -6.238 -12.745 4.814 No H/Q in entry = 3 In of MODEL 8 1 HA SER 28 HA SER 28 -8.036 -9.502 6.917 2 HB2 SER 28 HB2 SER 28 -5.764 -9.003 8.044 3 HG SER 28 HG SER 28 -6.608 -6.530 7.594 4 H SER 28 HN SER 28 -6.112 -10.852 5.315 5 HB3 SER 28 HB1 SER 28 -5.450 -7.984 6.640 No H/Q in entry = 5 In of MODEL 8 1 HA SER 29 HA SER 29 -7.584 -7.070 3.100 2 HB2 SER 29 HB2 SER 29 -10.207 -6.769 4.516 3 HG SER 29 HG SER 29 -10.085 -7.742 1.958 4 H SER 29 HN SER 29 -7.942 -6.974 5.996 5 HB3 SER 29 HB1 SER 29 -9.946 -5.916 2.995 No H/Q in entry = 5 In of MODEL 8 1 HA HIS 30 HA HIS 30 -6.476 -3.052 4.768 2 HB2 HIS 30 HB2 HIS 30 -4.026 -4.092 3.337 3 HD1 HIS 30 HD1 HIS 30 -2.073 -4.621 5.014 4 HD2 HIS 30 HD2 HIS 30 -5.773 -3.945 6.779 5 HE1 HIS 30 HE1 HIS 30 -1.857 -5.467 7.372 6 HE2 HIS 30 HE2 HIS 30 -4.135 -5.126 8.394 7 H HIS 30 HN HIS 30 -5.888 -5.583 3.512 8 HB3 HIS 30 HB1 HIS 30 -4.125 -2.493 4.065 No H/Q in entry = 8 In of MODEL 8 1 HA TYR 31 HA TYR 31 -6.075 -1.141 0.605 2 HB2 TYR 31 HB2 TYR 31 -7.871 0.166 2.614 3 HD1 TYR 31 HD1 TYR 31 -7.540 -1.422 -0.744 4 HD2 TYR 31 HD2 TYR 31 -10.001 -0.755 2.661 5 HE1 TYR 31 HE1 TYR 31 -9.216 -2.971 -1.659 6 HE2 TYR 31 HE2 TYR 31 -11.683 -2.303 1.757 7 HH TYR 31 HH TYR 31 -11.049 -4.345 -0.925 8 H TYR 31 HN TYR 31 -5.400 -1.101 3.399 9 HB3 TYR 31 HB1 TYR 31 -7.680 0.896 1.024 No H/Q in entry = 9 In of MODEL 8 1 HA CYS 32 HA CYS 32 -3.377 2.264 0.984 2 HB2 CYS 32 HB2 CYS 32 -3.699 1.453 -1.864 3 H CYS 32 HN CYS 32 -5.376 0.732 -0.511 4 HB3 CYS 32 HB1 CYS 32 -2.858 2.964 -1.537 No H/Q in entry = 4 In of MODEL 8 1 HA THR 33 HA THR 33 -5.772 5.830 0.177 2 HB THR 33 HB THR 33 -4.447 7.792 1.367 3 HG1 THR 33 HG1 THR 33 -2.822 7.145 2.611 4 HG23 THR 33 HG21 THR 33 -5.704 7.400 3.166 5 HG22 THR 33 HG22 THR 33 -5.070 5.768 3.378 6 HG21 THR 33 HG23 THR 33 -6.363 6.068 2.216 7 H THR 33 HN THR 33 -3.182 4.546 0.695 No H/Q in entry = 7 In of MODEL 8 1 HA3 GLY 34 HA2 GLY 34 -1.602 6.501 -2.858 2 H GLY 34 HN GLY 34 -2.405 5.812 -0.761 3 HA2 GLY 34 HA1 GLY 34 -3.083 7.415 -3.100 No H/Q in entry = 3 In of MODEL 8 1 HA ARG 35 HA ARG 35 -0.503 10.424 -0.939 2 HB2 ARG 35 HB2 ARG 35 -2.042 9.735 1.151 3 HG2 ARG 35 HG2 ARG 35 -1.199 11.803 2.344 4 HD2 ARG 35 HD2 ARG 35 -1.636 12.525 -0.498 5 HE ARG 35 HE ARG 35 -2.404 14.327 0.652 6 HH11 ARG 35 HH11 ARG 35 -3.241 11.463 2.461 7 HH12 ARG 35 HH12 ARG 35 -4.096 12.336 3.688 8 HH21 ARG 35 HH21 ARG 35 -3.528 15.477 2.265 9 HH22 ARG 35 HH22 ARG 35 -4.259 14.615 3.577 10 H ARG 35 HN ARG 35 -1.233 7.680 -0.157 11 HB3 ARG 35 HB1 ARG 35 -0.464 9.626 1.920 12 HG3 ARG 35 HG1 ARG 35 -0.037 11.966 1.026 13 HD3 ARG 35 HD1 ARG 35 -2.884 11.569 0.299 No H/Q in entry = 13 In of MODEL 8 1 HA SER 36 HA SER 36 3.366 8.096 -0.240 2 HB2 SER 36 HB2 SER 36 2.718 9.031 2.178 3 HG SER 36 HG SER 36 4.804 9.273 2.309 4 H SER 36 HN SER 36 0.659 7.422 0.437 5 HB3 SER 36 HB1 SER 36 3.094 7.370 2.635 No H/Q in entry = 5 In of MODEL 8 1 HA CYS 37 HA CYS 37 3.773 3.810 -0.406 2 HB2 CYS 37 HB2 CYS 37 6.460 4.404 0.851 3 H CYS 37 HN CYS 37 4.879 6.263 0.537 4 HB3 CYS 37 HB1 CYS 37 6.027 2.886 0.072 No H/Q in entry = 4 In of MODEL 8 1 HA GLU 38 HA GLU 38 4.316 2.754 4.227 2 HB2 GLU 38 HB2 GLU 38 3.633 5.527 5.207 3 HG2 GLU 38 HG2 GLU 38 5.995 5.000 4.040 4 H GLU 38 HN GLU 38 4.469 5.157 2.742 5 HB3 GLU 38 HB1 GLU 38 4.152 4.154 6.176 6 HG3 GLU 38 HG1 GLU 38 5.784 6.126 5.380 No H/Q in entry = 6 In of MODEL 8 1 HA CYS 39 HA CYS 39 -0.064 2.496 3.812 2 HB2 CYS 39 HB2 CYS 39 1.238 -0.016 3.544 3 H CYS 39 HN CYS 39 2.595 1.470 4.254 4 HB3 CYS 39 HB1 CYS 39 -0.100 -0.235 4.666 No H/Q in entry = 4 In of MODEL 8 1 HA PRO 40 HA PRO 40 -1.240 3.005 8.035 2 HB2 PRO 40 HB2 PRO 40 -3.906 2.530 7.884 3 HG2 PRO 40 HG2 PRO 40 -4.000 1.532 5.790 4 HD2 PRO 40 HD2 PRO 40 -2.258 1.685 4.290 5 HB3 PRO 40 HB1 PRO 40 -3.159 4.003 7.256 6 HG3 PRO 40 HG1 PRO 40 -4.220 3.233 5.335 7 HD3 PRO 40 HD1 PRO 40 -2.063 3.431 4.547 No H/Q in entry = 7 In of MODEL 8 1 HA SER 41 HA SER 41 -1.853 -1.060 9.559 2 HB2 SER 41 HB2 SER 41 -1.090 -1.013 12.026 3 HG SER 41 HG SER 41 0.252 1.138 12.074 4 H SER 41 HN SER 41 -1.736 1.856 9.905 5 HB3 SER 41 HB1 SER 41 0.082 -0.546 10.795 No H/Q in entry = 5 In of MODEL 8 1 HA TYR 42 HA TYR 42 -5.715 -0.537 11.620 2 HB2 TYR 42 HB2 TYR 42 -5.197 2.098 11.568 3 HD1 TYR 42 HD1 TYR 42 -5.561 2.533 13.794 4 HD2 TYR 42 HD2 TYR 42 -8.567 0.468 11.604 5 HE1 TYR 42 HE1 TYR 42 -6.974 2.468 15.806 6 HE2 TYR 42 HE2 TYR 42 -9.989 0.398 13.609 7 HH TYR 42 HH TYR 42 -9.289 2.224 16.424 8 H TYR 42 HN TYR 42 -4.200 0.597 9.374 9 HB3 TYR 42 HB1 TYR 42 -6.634 2.077 10.551 No H/Q in entry = 9 In of MODEL 8 1 HA PRO 43 HA PRO 43 -7.480 -2.082 7.636 2 HB2 PRO 43 HB2 PRO 43 -8.741 -3.839 9.687 3 HG2 PRO 43 HG2 PRO 43 -6.721 -4.745 10.406 4 HD2 PRO 43 HD2 PRO 43 -6.625 -2.680 11.429 5 HB3 PRO 43 HB1 PRO 43 -8.017 -4.265 8.132 6 HG3 PRO 43 HG1 PRO 43 -5.853 -4.178 8.966 7 HD3 PRO 43 HD1 PRO 43 -5.173 -2.524 10.419 No H/Q in entry = 7 In of MODEL 8 1 HA3 GLY 44 HA2 GLY 44 -11.110 0.257 8.542 2 H GLY 44 HN GLY 44 -9.119 -0.925 6.848 3 HA2 GLY 44 HA1 GLY 44 -11.041 0.356 6.789 No H/Q in entry = 3 In of MODEL 8 1 HA ASN 45 HA ASN 45 -15.198 -1.411 8.692 2 HB2 ASN 45 HB2 ASN 45 -14.044 -2.043 6.018 3 HD21 ASN 45 HD21 ASN 45 -14.426 0.146 5.627 4 HD22 ASN 45 HD22 ASN 45 -16.026 0.767 5.429 5 H ASN 45 HN ASN 45 -13.309 -0.146 8.626 6 HB3 ASN 45 HB1 ASN 45 -15.357 -3.060 6.603 No H/Q in entry = 6 In of MODEL 8 1 HA3 GLY 46 HA2 GLY 46 -13.903 -5.305 10.162 2 H GLY 46 HN GLY 46 -16.025 -3.596 9.065 3 HA2 GLY 46 HA1 GLY 46 -15.595 -5.340 10.634 No H/Q in entry = 3 In of MODEL 9 1 H1 ALA 1 HT1 ALA 1 17.314 6.518 3.267 2 H2 ALA 1 HT3 ALA 1 16.159 5.393 3.849 3 H3 ALA 1 HT2 ALA 1 16.814 5.210 2.273 4 HA ALA 1 HA ALA 1 14.624 6.072 2.162 5 HB3 ALA 1 HB1 ALA 1 15.728 8.240 3.939 6 HB1 ALA 1 HB2 ALA 1 14.430 7.104 4.310 7 HB2 ALA 1 HB3 ALA 1 14.189 8.348 3.083 No H/Q in entry = 7 In of MODEL 9 1 HA MET 2 HA MET 2 16.122 8.944 -0.826 2 HB2 MET 2 HB2 MET 2 16.781 6.423 -1.429 3 H MET 2 HN MET 2 14.356 6.838 0.170 4 HG2 MET 2 HG2 MET 2 16.878 8.202 -3.788 5 HE2 MET 2 HE1 MET 2 19.398 6.047 -5.359 6 HB3 MET 2 HB1 MET 2 15.588 6.692 -2.692 7 HE1 MET 2 HE2 MET 2 18.498 7.559 -5.477 8 HE3 MET 2 HE3 MET 2 17.646 6.049 -5.154 9 HG3 MET 2 HG1 MET 2 17.659 8.772 -2.314 No H/Q in entry = 9 In of MODEL 9 1 HA ASP 3 HA ASP 3 12.678 10.338 -3.016 2 HB2 ASP 3 HB2 ASP 3 14.423 10.234 -5.485 3 H ASP 3 HN ASP 3 15.353 9.389 -3.261 4 HB3 ASP 3 HB1 ASP 3 12.990 11.232 -5.260 No H/Q in entry = 4 In of MODEL 9 1 HA CYS 4 HA CYS 4 9.994 8.635 -6.463 2 HB2 CYS 4 HB2 CYS 4 12.551 7.113 -6.366 3 H CYS 4 HN CYS 4 11.388 10.020 -5.317 4 HB3 CYS 4 HB1 CYS 4 11.108 6.244 -6.876 No H/Q in entry = 4 In of MODEL 9 1 HA THR 5 HA THR 5 8.373 6.762 -2.756 2 HB THR 5 HB THR 5 5.764 6.707 -3.319 3 HG1 THR 5 HG1 THR 5 5.814 7.497 -5.366 4 HG23 THR 5 HG21 THR 5 5.495 8.497 -1.968 5 HG22 THR 5 HG22 THR 5 6.731 9.448 -2.791 6 HG21 THR 5 HG23 THR 5 7.202 8.186 -1.653 7 H THR 5 HN THR 5 8.307 8.314 -5.104 No H/Q in entry = 7 In of MODEL 9 1 HA THR 6 HA THR 6 7.756 2.989 -4.999 2 HB THR 6 HB THR 6 10.653 2.538 -4.312 3 HG1 THR 6 HG1 THR 6 11.252 3.690 -6.025 4 HG22 THR 6 HG21 THR 6 10.054 1.621 -6.874 5 HG21 THR 6 HG22 THR 6 8.703 1.117 -5.859 6 HG23 THR 6 HG23 THR 6 10.350 0.657 -5.427 7 H THR 6 HN THR 6 9.433 4.816 -3.415 No H/Q in entry = 7 In of MODEL 9 1 HA3 GLY 7 HA2 GLY 7 8.402 -0.453 -2.073 2 H GLY 7 HN GLY 7 7.483 0.818 -4.276 3 HA2 GLY 7 HA1 GLY 7 7.202 0.643 -1.405 No H/Q in entry = 3 In of MODEL 9 1 HA PRO 8 HA PRO 8 4.910 -3.206 -2.436 2 HB2 PRO 8 HB2 PRO 8 3.155 -3.013 -0.378 3 HG2 PRO 8 HG2 PRO 8 3.818 -0.969 0.503 4 HD2 PRO 8 HD2 PRO 8 5.836 -0.004 -0.048 5 HB3 PRO 8 HB1 PRO 8 4.764 -3.721 -0.199 6 HG3 PRO 8 HG1 PRO 8 4.866 -2.060 1.427 7 HD3 PRO 8 HD1 PRO 8 6.733 -1.517 0.191 No H/Q in entry = 7 In of MODEL 9 1 HA CYS 9 HA CYS 9 1.278 -0.487 -3.176 2 HB2 CYS 9 HB2 CYS 9 1.041 0.325 -0.779 3 H CYS 9 HN CYS 9 3.624 -0.044 -1.473 4 HB3 CYS 9 HB1 CYS 9 1.754 1.842 -1.316 No H/Q in entry = 4 In of MODEL 9 1 HA CYS 10 HA CYS 10 3.220 2.312 -5.932 2 HB2 CYS 10 HB2 CYS 10 5.986 2.095 -4.744 3 H CYS 10 HN CYS 10 3.928 0.021 -4.274 4 HB3 CYS 10 HB1 CYS 10 5.320 3.424 -5.686 No H/Q in entry = 4 In of MODEL 9 1 HA ARG 11 HA ARG 11 6.277 0.043 -8.464 2 HB2 ARG 11 HB2 ARG 11 3.758 1.000 -9.731 3 HG2 ARG 11 HG2 ARG 11 4.996 -1.719 -9.361 4 HD2 ARG 11 HD2 ARG 11 2.170 -1.287 -10.194 5 HE ARG 11 HE ARG 11 2.400 -3.549 -10.208 6 HH11 ARG 11 HH11 ARG 11 5.380 -2.154 -11.372 7 HH12 ARG 11 HH12 ARG 11 6.106 -3.686 -11.722 8 HH21 ARG 11 HH21 ARG 11 3.354 -5.565 -10.668 9 HH22 ARG 11 HH22 ARG 11 4.956 -5.623 -11.323 10 H ARG 11 HN ARG 11 5.038 2.533 -7.707 11 HB3 ARG 11 HB1 ARG 11 4.991 0.317 -10.782 12 HG3 ARG 11 HG1 ARG 11 3.646 -1.034 -8.454 13 HD3 ARG 11 HD1 ARG 11 3.436 -1.209 -11.419 No H/Q in entry = 13 In of MODEL 9 1 HA GLN 12 HA GLN 12 9.698 1.517 -10.754 2 HB2 GLN 12 HB2 GLN 12 7.292 2.932 -11.893 3 HG2 GLN 12 HG2 GLN 12 9.173 1.070 -13.299 4 HE21 GLN 12 HE21 GLN 12 6.721 -0.246 -14.276 5 HE22 GLN 12 HE22 GLN 12 6.087 0.806 -15.491 6 H GLN 12 HN GLN 12 8.069 0.427 -9.609 7 HB3 GLN 12 HB1 GLN 12 8.931 3.247 -12.445 8 HG3 GLN 12 HG1 GLN 12 7.741 0.493 -12.448 No H/Q in entry = 8 In of MODEL 9 1 HA CYS 13 HA CYS 13 9.083 5.425 -8.292 2 HB2 CYS 13 HB2 CYS 13 9.403 6.331 -11.104 3 H CYS 13 HN CYS 13 7.551 4.311 -10.476 4 HB3 CYS 13 HB1 CYS 13 9.300 7.582 -9.871 No H/Q in entry = 4 In of MODEL 9 1 HA LYS 14 HA LYS 14 5.077 7.159 -7.977 2 HB2 LYS 14 HB2 LYS 14 4.883 6.617 -10.578 3 HG2 LYS 14 HG2 LYS 14 2.271 7.354 -9.392 4 HD2 LYS 14 HD2 LYS 14 2.990 9.384 -10.975 5 HE2 LYS 14 HE2 LYS 14 2.111 7.747 -12.899 6 HZ2 LYS 14 HZ1 LYS 14 0.863 9.599 -12.004 7 HZ1 LYS 14 HZ2 LYS 14 0.463 8.708 -10.624 8 HZ3 LYS 14 HZ3 LYS 14 -0.134 8.238 -12.135 9 H LYS 14 HN LYS 14 6.324 4.660 -8.789 10 HB3 LYS 14 HB1 LYS 14 3.571 5.592 -10.013 11 HG3 LYS 14 HG1 LYS 14 3.653 8.395 -9.044 12 HD3 LYS 14 HD1 LYS 14 3.986 8.110 -11.683 13 HE3 LYS 14 HE1 LYS 14 1.670 6.787 -11.487 No H/Q in entry = 13 In of MODEL 9 1 HA LEU 15 HA LEU 15 2.898 4.263 -5.583 2 HB2 LEU 15 HB2 LEU 15 1.243 5.487 -4.096 3 HG LEU 15 HG LEU 15 1.190 7.480 -5.913 4 HD11 LEU 15 HD11 LEU 15 0.800 7.527 -2.941 5 HD13 LEU 15 HD12 LEU 15 -0.413 7.429 -4.217 6 HD12 LEU 15 HD13 LEU 15 0.458 8.938 -3.942 7 HD23 LEU 15 HD21 LEU 15 2.919 8.729 -3.847 8 HD22 LEU 15 HD22 LEU 15 2.655 9.183 -5.531 9 HD21 LEU 15 HD23 LEU 15 3.698 7.816 -5.139 10 H LEU 15 HN LEU 15 3.103 6.878 -6.845 11 HB3 LEU 15 HB1 LEU 15 2.917 6.005 -4.014 No H/Q in entry = 11 In of MODEL 9 1 HA LYS 16 HA LYS 16 -0.711 3.206 -7.715 2 HB2 LYS 16 HB2 LYS 16 -0.634 1.509 -5.246 3 HG2 LYS 16 HG2 LYS 16 -0.837 0.354 -7.949 4 HD2 LYS 16 HD2 LYS 16 1.142 -0.208 -5.757 5 HE2 LYS 16 HE2 LYS 16 1.441 -1.210 -8.038 6 HZ2 LYS 16 HZ1 LYS 16 -0.103 -2.526 -8.975 7 HZ1 LYS 16 HZ2 LYS 16 -1.184 -1.612 -8.050 8 HZ3 LYS 16 HZ3 LYS 16 -0.672 -3.127 -7.499 9 H LYS 16 HN LYS 16 0.874 3.171 -5.316 10 HB3 LYS 16 HB1 LYS 16 -2.012 1.406 -6.333 11 HG3 LYS 16 HG1 LYS 16 0.658 1.216 -7.577 12 HD3 LYS 16 HD1 LYS 16 -0.491 -0.880 -5.751 13 HE3 LYS 16 HE1 LYS 16 1.286 -2.371 -6.721 No H/Q in entry = 13 In of MODEL 9 1 HA PRO 17 HA PRO 17 -4.206 5.662 -6.686 2 HB2 PRO 17 HB2 PRO 17 -5.912 3.236 -6.987 3 HG2 PRO 17 HG2 PRO 17 -5.132 2.739 -9.123 4 HD2 PRO 17 HD2 PRO 17 -3.346 2.007 -7.861 5 HB3 PRO 17 HB1 PRO 17 -6.064 4.821 -7.754 6 HG3 PRO 17 HG1 PRO 17 -4.438 4.356 -9.342 7 HD3 PRO 17 HD1 PRO 17 -2.492 3.245 -8.805 No H/Q in entry = 7 In of MODEL 9 1 HA ALA 18 HA ALA 18 -4.835 5.038 -2.441 2 HB1 ALA 18 HB1 ALA 18 -5.553 7.440 -2.917 3 HB2 ALA 18 HB2 ALA 18 -6.213 6.670 -1.474 4 HB3 ALA 18 HB3 ALA 18 -7.203 6.818 -2.926 5 H ALA 18 HN ALA 18 -5.353 6.257 -4.902 No H/Q in entry = 5 In of MODEL 9 1 HA3 GLY 19 HA2 GLY 19 -7.549 2.018 -0.796 2 H GLY 19 HN GLY 19 -5.582 3.186 -1.658 3 HA2 GLY 19 HA1 GLY 19 -8.361 2.419 -2.302 No H/Q in entry = 3 In of MODEL 9 1 HA THR 20 HA THR 20 -5.796 -0.985 -3.808 2 HB THR 20 HB THR 20 -3.005 -0.062 -3.125 3 HG1 THR 20 HG1 THR 20 -4.740 0.779 -5.192 4 HG22 THR 20 HG21 THR 20 -2.721 -1.032 -5.539 5 HG21 THR 20 HG22 THR 20 -4.152 -1.963 -5.097 6 HG23 THR 20 HG23 THR 20 -2.686 -2.084 -4.125 7 H THR 20 HN THR 20 -5.041 1.352 -2.241 No H/Q in entry = 7 In of MODEL 9 1 HA THR 21 HA THR 21 -5.037 -3.808 -0.634 2 HB THR 21 HB THR 21 -3.971 -6.026 -1.677 3 HG1 THR 21 HG1 THR 21 -3.844 -6.007 -3.767 4 HG23 THR 21 HG21 THR 21 -6.097 -6.466 -1.121 5 HG22 THR 21 HG22 THR 21 -6.376 -6.265 -2.851 6 HG21 THR 21 HG23 THR 21 -6.693 -4.928 -1.746 7 H THR 21 HN THR 21 -4.632 -3.057 -3.374 No H/Q in entry = 7 In of MODEL 9 1 HA CYS 22 HA CYS 22 -0.688 -4.054 0.130 2 HB2 CYS 22 HB2 CYS 22 -2.339 -3.299 2.480 3 H CYS 22 HN CYS 22 -3.482 -4.728 0.772 4 HB3 CYS 22 HB1 CYS 22 -0.671 -3.764 2.801 No H/Q in entry = 4 In of MODEL 9 1 HA TRP 23 HA TRP 23 0.079 -8.468 -0.169 2 HB2 TRP 23 HB2 TRP 23 1.710 -7.280 1.367 3 HD1 TRP 23 HD1 TRP 23 2.403 -9.666 -0.140 4 HE1 TRP 23 HE1 TRP 23 3.249 -11.877 0.870 5 HE3 TRP 23 HE3 TRP 23 0.667 -9.097 4.636 6 HZ2 TRP 23 HZ2 TRP 23 3.189 -13.205 3.360 7 HZ3 TRP 23 HZ3 TRP 23 1.103 -10.884 6.270 8 HH2 TRP 23 HH2 TRP 23 2.338 -12.895 5.643 9 H TRP 23 HN TRP 23 -0.555 -6.310 -0.508 10 HB3 TRP 23 HB1 TRP 23 0.623 -7.676 2.694 No H/Q in entry = 10 In of MODEL 9 1 HA ARG 24 HA ARG 24 -3.243 -10.242 2.085 2 HB2 ARG 24 HB2 ARG 24 -4.086 -9.903 -0.768 3 HG2 ARG 24 HG2 ARG 24 -4.353 -8.248 1.326 4 HD2 ARG 24 HD2 ARG 24 -6.506 -10.255 1.536 5 HE ARG 24 HE ARG 24 -7.537 -7.796 2.445 6 HH11 ARG 24 HH11 ARG 24 -7.066 -9.610 -0.499 7 HH12 ARG 24 HH12 ARG 24 -8.412 -8.883 -1.310 8 HH21 ARG 24 HH21 ARG 24 -9.308 -6.839 1.380 9 HH22 ARG 24 HH22 ARG 24 -9.685 -7.309 -0.244 10 H ARG 24 HN ARG 24 -1.617 -9.795 -0.331 11 HB3 ARG 24 HB1 ARG 24 -5.038 -10.929 0.297 12 HG3 ARG 24 HG1 ARG 24 -5.490 -8.314 -0.022 13 HD3 ARG 24 HD1 ARG 24 -5.796 -9.219 2.773 No H/Q in entry = 13 In of MODEL 9 1 HA THR 25 HA THR 25 -2.867 -14.473 0.824 2 HB THR 25 HB THR 25 -1.852 -15.495 3.097 3 HG1 THR 25 HG1 THR 25 -1.784 -13.907 4.484 4 HG23 THR 25 HG21 THR 25 0.271 -15.200 2.248 5 HG22 THR 25 HG22 THR 25 -0.107 -13.615 1.574 6 HG21 THR 25 HG23 THR 25 -0.743 -15.072 0.810 7 H THR 25 HN THR 25 -3.666 -12.331 2.645 No H/Q in entry = 7 In of MODEL 9 1 HA SER 26 HA SER 26 -7.410 -14.273 2.586 2 HB2 SER 26 HB2 SER 26 -6.368 -17.071 2.673 3 HG SER 26 HG SER 26 -6.818 -15.637 0.266 4 H SER 26 HN SER 26 -5.425 -13.482 1.809 5 HB3 SER 26 HB1 SER 26 -7.915 -16.468 2.080 No H/Q in entry = 5 In of MODEL 9 1 HA VAL 27 HA VAL 27 -6.175 -15.185 6.781 2 HB VAL 27 HB VAL 27 -3.492 -13.821 6.575 3 H VAL 27 HN VAL 27 -5.240 -13.601 4.478 No H/Q in entry = 3 In of MODEL 9 1 HA SER 28 HA SER 28 -6.826 -10.784 7.693 2 HB2 SER 28 HB2 SER 28 -4.435 -10.818 8.492 3 HG SER 28 HG SER 28 -4.728 -8.910 9.379 4 H SER 28 HN SER 28 -5.148 -12.014 5.636 5 HB3 SER 28 HB1 SER 28 -4.028 -9.792 7.116 No H/Q in entry = 5 In of MODEL 9 1 HA SER 29 HA SER 29 -6.737 -7.786 4.308 2 HB2 SER 29 HB2 SER 29 -8.644 -6.092 5.134 3 HG SER 29 HG SER 29 -9.217 -8.265 6.793 4 H SER 29 HN SER 29 -6.425 -8.164 7.198 5 HB3 SER 29 HB1 SER 29 -8.989 -7.770 4.715 No H/Q in entry = 5 In of MODEL 9 1 HA HIS 30 HA HIS 30 -5.686 -3.509 5.346 2 HB2 HIS 30 HB2 HIS 30 -3.694 -5.261 5.327 3 HD1 HIS 30 HD1 HIS 30 -1.132 -3.946 5.549 4 HD2 HIS 30 HD2 HIS 30 -4.648 -1.800 6.093 5 HE1 HIS 30 HE1 HIS 30 -0.480 -1.913 6.877 6 HE2 HIS 30 HE2 HIS 30 -2.639 -0.675 7.269 7 H HIS 30 HN HIS 30 -6.410 -5.612 3.591 8 HB3 HIS 30 HB1 HIS 30 -3.293 -4.438 3.823 No H/Q in entry = 8 In of MODEL 9 1 HA TYR 31 HA TYR 31 -5.437 -1.625 1.343 2 HB2 TYR 31 HB2 TYR 31 -7.388 -0.010 3.000 3 HD1 TYR 31 HD1 TYR 31 -8.702 -1.631 4.094 4 HD2 TYR 31 HD2 TYR 31 -7.806 -2.091 -0.039 5 HE1 TYR 31 HE1 TYR 31 -10.325 -3.473 3.953 6 HE2 TYR 31 HE2 TYR 31 -9.427 -3.934 -0.192 7 HH TYR 31 HH TYR 31 -11.653 -4.638 2.321 8 H TYR 31 HN TYR 31 -5.459 -1.562 4.276 9 HB3 TYR 31 HB1 TYR 31 -7.254 0.014 1.245 No H/Q in entry = 9 In of MODEL 9 1 HA CYS 32 HA CYS 32 -2.525 1.527 1.808 2 HB2 CYS 32 HB2 CYS 32 -3.669 2.021 -0.946 3 H CYS 32 HN CYS 32 -4.499 0.146 0.353 4 HB3 CYS 32 HB1 CYS 32 -2.275 2.879 -0.300 No H/Q in entry = 4 In of MODEL 9 1 HA THR 33 HA THR 33 -4.745 5.110 2.872 2 HB THR 33 HB THR 33 -2.626 5.338 4.101 3 HG1 THR 33 HG1 THR 33 -3.542 7.087 4.763 4 HG23 THR 33 HG21 THR 33 -0.868 6.797 3.356 5 HG22 THR 33 HG22 THR 33 -1.721 7.105 1.843 6 HG21 THR 33 HG23 THR 33 -1.091 5.494 2.189 7 H THR 33 HN THR 33 -2.321 3.983 1.704 No H/Q in entry = 7 In of MODEL 9 1 HA3 GLY 34 HA2 GLY 34 -3.237 6.605 -1.841 2 H GLY 34 HN GLY 34 -2.407 5.808 0.295 3 HA2 GLY 34 HA1 GLY 34 -4.468 7.502 -0.966 No H/Q in entry = 3 In of MODEL 9 1 HA ARG 35 HA ARG 35 -0.459 9.904 -1.327 2 HB2 ARG 35 HB2 ARG 35 -1.664 10.118 1.042 3 HG2 ARG 35 HG2 ARG 35 -0.424 12.197 1.490 4 HD2 ARG 35 HD2 ARG 35 -1.073 13.353 -0.469 5 HE ARG 35 HE ARG 35 -3.008 11.295 -0.876 6 HH11 ARG 35 HH11 ARG 35 -1.863 13.657 1.424 7 HH12 ARG 35 HH12 ARG 35 -3.386 13.788 2.237 8 HH21 ARG 35 HH21 ARG 35 -5.013 11.466 0.192 9 HH22 ARG 35 HH22 ARG 35 -5.174 12.544 1.538 10 H ARG 35 HN ARG 35 -1.025 7.324 -0.200 11 HB3 ARG 35 HB1 ARG 35 -0.025 9.839 1.615 12 HG3 ARG 35 HG1 ARG 35 0.738 11.747 0.240 13 HD3 ARG 35 HD1 ARG 35 -0.892 11.909 -1.466 No H/Q in entry = 13 In of MODEL 9 1 HA SER 36 HA SER 36 3.259 7.573 -0.179 2 HB2 SER 36 HB2 SER 36 4.035 6.864 2.186 3 HG SER 36 HG SER 36 2.349 8.182 3.591 4 H SER 36 HN SER 36 0.558 7.426 0.979 5 HB3 SER 36 HB1 SER 36 3.596 8.552 1.929 No H/Q in entry = 5 In of MODEL 9 1 HA CYS 37 HA CYS 37 3.016 3.294 -0.605 2 HB2 CYS 37 HB2 CYS 37 5.713 4.068 -0.686 3 H CYS 37 HN CYS 37 4.538 5.560 0.220 4 HB3 CYS 37 HB1 CYS 37 5.678 2.610 0.298 No H/Q in entry = 4 In of MODEL 9 1 HA GLU 38 HA GLU 38 4.162 2.008 3.876 2 HB2 GLU 38 HB2 GLU 38 4.019 4.892 4.745 3 HG2 GLU 38 HG2 GLU 38 6.185 2.900 5.315 4 H GLU 38 HN GLU 38 4.288 4.428 2.436 5 HB3 GLU 38 HB1 GLU 38 4.002 3.556 5.888 6 HG3 GLU 38 HG1 GLU 38 6.189 3.903 3.865 No H/Q in entry = 6 In of MODEL 9 1 HA CYS 39 HA CYS 39 -0.275 1.848 3.653 2 HB2 CYS 39 HB2 CYS 39 0.880 -0.655 3.572 3 H CYS 39 HN CYS 39 2.331 0.838 3.818 4 HB3 CYS 39 HB1 CYS 39 -0.066 -0.715 5.055 No H/Q in entry = 4 In of MODEL 9 1 HA PRO 40 HA PRO 40 -1.335 3.402 7.637 2 HB2 PRO 40 HB2 PRO 40 -3.812 1.764 7.372 3 HG2 PRO 40 HG2 PRO 40 -4.407 2.679 5.315 4 HD2 PRO 40 HD2 PRO 40 -2.724 1.246 4.654 5 HB3 PRO 40 HB1 PRO 40 -3.634 3.486 7.730 6 HG3 PRO 40 HG1 PRO 40 -3.297 4.049 5.504 7 HD3 PRO 40 HD1 PRO 40 -1.989 2.767 4.106 No H/Q in entry = 7 In of MODEL 9 1 HA SER 41 HA SER 41 -0.926 -0.006 10.355 2 HB2 SER 41 HB2 SER 41 -1.238 2.411 12.148 3 HG SER 41 HG SER 41 1.076 1.011 11.292 4 H SER 41 HN SER 41 -2.008 2.672 9.831 5 HB3 SER 41 HB1 SER 41 -0.684 0.835 12.712 No H/Q in entry = 5 In of MODEL 9 1 HA TYR 42 HA TYR 42 -5.120 -0.241 12.100 2 HB2 TYR 42 HB2 TYR 42 -4.921 1.902 13.423 3 HD1 TYR 42 HD1 TYR 42 -5.838 0.447 15.084 4 HD2 TYR 42 HD2 TYR 42 -8.305 1.960 11.965 5 HE1 TYR 42 HE1 TYR 42 -7.834 -0.323 16.297 6 HE2 TYR 42 HE2 TYR 42 -10.307 1.194 13.170 7 HH TYR 42 HH TYR 42 -10.170 -0.938 15.796 8 H TYR 42 HN TYR 42 -3.741 2.016 10.800 9 HB3 TYR 42 HB1 TYR 42 -5.945 2.664 12.210 No H/Q in entry = 9 In of MODEL 9 1 HA PRO 43 HA PRO 43 -6.849 -0.150 7.813 2 HB2 PRO 43 HB2 PRO 43 -7.885 -2.712 8.932 3 HG2 PRO 43 HG2 PRO 43 -5.769 -3.637 9.233 4 HD2 PRO 43 HD2 PRO 43 -5.832 -2.185 11.023 5 HB3 PRO 43 HB1 PRO 43 -7.170 -2.382 7.350 6 HG3 PRO 43 HG1 PRO 43 -5.000 -2.444 8.169 7 HD3 PRO 43 HD1 PRO 43 -4.432 -1.484 10.186 No H/Q in entry = 7 In of MODEL 9 1 HA3 GLY 44 HA2 GLY 44 -11.149 0.163 8.727 2 H GLY 44 HN GLY 44 -8.686 0.903 7.421 3 HA2 GLY 44 HA1 GLY 44 -10.555 1.747 9.201 No H/Q in entry = 3 In of MODEL 9 1 HA ASN 45 HA ASN 45 -12.017 2.389 4.961 2 HB2 ASN 45 HB2 ASN 45 -9.305 1.658 3.844 3 HD21 ASN 45 HD21 ASN 45 -9.197 4.391 2.829 4 HD22 ASN 45 HD22 ASN 45 -8.859 5.392 4.196 5 H ASN 45 HN ASN 45 -10.036 0.468 5.996 6 HB3 ASN 45 HB1 ASN 45 -10.509 2.589 2.957 No H/Q in entry = 6 In of MODEL 9 1 HA3 GLY 46 HA2 GLY 46 -12.681 -1.111 2.220 2 H GLY 46 HN GLY 46 -12.265 1.798 2.419 3 HA2 GLY 46 HA1 GLY 46 -14.014 -0.014 1.891 No H/Q in entry = 3 In of MODEL 10 1 H1 ALA 1 HT1 ALA 1 15.242 11.528 -7.594 2 H2 ALA 1 HT3 ALA 1 13.810 11.080 -8.422 3 H3 ALA 1 HT2 ALA 1 15.293 11.194 -9.277 4 HA ALA 1 HA ALA 1 15.358 13.461 -9.137 5 HB2 ALA 1 HB1 ALA 1 13.114 14.156 -10.000 6 HB3 ALA 1 HB2 ALA 1 12.536 12.532 -9.630 7 HB1 ALA 1 HB3 ALA 1 13.820 12.762 -10.818 No H/Q in entry = 7 In of MODEL 10 1 HA MET 2 HA MET 2 12.814 14.923 -5.665 2 HB2 MET 2 HB2 MET 2 10.770 15.057 -7.227 3 H MET 2 HN MET 2 12.204 12.814 -7.621 4 HG2 MET 2 HG2 MET 2 9.223 15.766 -5.332 5 HE2 MET 2 HE1 MET 2 11.333 18.604 -3.596 6 HB3 MET 2 HB1 MET 2 10.077 13.799 -6.213 7 HE1 MET 2 HE2 MET 2 9.938 17.534 -3.461 8 HE3 MET 2 HE3 MET 2 9.829 19.008 -4.423 9 HG3 MET 2 HG1 MET 2 10.559 15.365 -4.254 No H/Q in entry = 9 In of MODEL 10 1 HA ASP 3 HA ASP 3 12.146 10.856 -3.473 2 HB2 ASP 3 HB2 ASP 3 9.437 12.122 -3.164 3 H ASP 3 HN ASP 3 10.790 11.984 -5.738 4 HB3 ASP 3 HB1 ASP 3 9.913 10.760 -2.155 No H/Q in entry = 4 In of MODEL 10 1 HA CYS 4 HA CYS 4 9.723 7.485 -4.963 2 HB2 CYS 4 HB2 CYS 4 12.264 7.617 -5.984 3 H CYS 4 HN CYS 4 11.945 8.691 -3.466 4 HB3 CYS 4 HB1 CYS 4 12.277 6.046 -5.189 No H/Q in entry = 4 In of MODEL 10 1 HA THR 5 HA THR 5 10.003 5.054 -1.307 2 HB THR 5 HB THR 5 7.792 4.706 -0.361 3 HG1 THR 5 HG1 THR 5 6.665 4.282 -2.292 4 HG23 THR 5 HG21 THR 5 8.384 6.826 0.259 5 HG22 THR 5 HG22 THR 5 6.869 7.131 -0.591 6 HG21 THR 5 HG23 THR 5 8.409 7.424 -1.399 7 H THR 5 HN THR 5 8.620 6.293 -3.565 No H/Q in entry = 7 In of MODEL 10 1 HA THR 6 HA THR 6 8.872 1.129 -2.994 2 HB THR 6 HB THR 6 10.848 -0.211 -3.063 3 HG1 THR 6 HG1 THR 6 11.523 -0.192 -0.960 4 HG22 THR 6 HG21 THR 6 12.127 2.471 -2.974 5 HG21 THR 6 HG22 THR 6 10.886 2.146 -4.184 6 HG23 THR 6 HG23 THR 6 12.342 1.152 -4.125 7 H THR 6 HN THR 6 10.002 2.865 -0.906 No H/Q in entry = 7 In of MODEL 10 1 HA3 GLY 7 HA2 GLY 7 8.282 -1.831 0.245 2 H GLY 7 HN GLY 7 7.706 -0.533 -2.242 3 HA2 GLY 7 HA1 GLY 7 6.876 -0.785 0.361 No H/Q in entry = 3 In of MODEL 10 1 HA PRO 8 HA PRO 8 5.299 -4.867 -1.057 2 HB2 PRO 8 HB2 PRO 8 3.074 -4.872 0.465 3 HG2 PRO 8 HG2 PRO 8 3.209 -2.742 1.379 4 HD2 PRO 8 HD2 PRO 8 5.149 -1.517 1.299 5 HB3 PRO 8 HB1 PRO 8 4.652 -5.351 1.103 6 HG3 PRO 8 HG1 PRO 8 4.098 -3.664 2.606 7 HD3 PRO 8 HD1 PRO 8 6.134 -2.860 1.912 No H/Q in entry = 7 In of MODEL 10 1 HA CYS 9 HA CYS 9 1.510 -2.566 -2.542 2 HB2 CYS 9 HB2 CYS 9 0.848 -1.252 -0.586 3 H CYS 9 HN CYS 9 3.470 -1.863 -0.544 4 HB3 CYS 9 HB1 CYS 9 1.962 0.029 -1.052 No H/Q in entry = 4 In of MODEL 10 1 HA CYS 10 HA CYS 10 3.285 1.120 -4.958 2 HB2 CYS 10 HB2 CYS 10 5.055 2.676 -4.531 3 H CYS 10 HN CYS 10 3.427 0.420 -2.286 4 HB3 CYS 10 HB1 CYS 10 4.080 2.573 -3.070 No H/Q in entry = 4 In of MODEL 10 1 HA ARG 11 HA ARG 11 5.895 -1.614 -7.035 2 HB2 ARG 11 HB2 ARG 11 5.003 0.287 -8.749 3 HG2 ARG 11 HG2 ARG 11 7.074 -1.414 -9.958 4 HD2 ARG 11 HD2 ARG 11 4.181 -1.707 -10.501 5 HE ARG 11 HE ARG 11 5.185 -2.551 -12.355 6 HH11 ARG 11 HH11 ARG 11 7.053 0.193 -11.280 7 HH12 ARG 11 HH12 ARG 11 8.175 0.104 -12.596 8 HH21 ARG 11 HH21 ARG 11 6.659 -2.671 -14.087 9 HH22 ARG 11 HH22 ARG 11 7.951 -1.522 -14.190 10 H ARG 11 HN ARG 11 4.705 0.932 -6.717 11 HB3 ARG 11 HB1 ARG 11 6.739 0.535 -8.880 12 HG3 ARG 11 HG1 ARG 11 5.827 -2.261 -9.040 13 HD3 ARG 11 HD1 ARG 11 4.910 -0.152 -10.900 No H/Q in entry = 13 In of MODEL 10 1 HA GLN 12 HA GLN 12 10.133 -1.157 -6.292 2 HB2 GLN 12 HB2 GLN 12 10.298 -2.187 -8.667 3 HG2 GLN 12 HG2 GLN 12 12.426 -1.097 -6.977 4 HE21 GLN 12 HE21 GLN 12 14.487 -0.684 -7.517 5 HE22 GLN 12 HE22 GLN 12 15.082 -0.617 -9.137 6 H GLN 12 HN GLN 12 8.255 -1.248 -8.360 7 HB3 GLN 12 HB1 GLN 12 10.868 -0.595 -9.150 8 HG3 GLN 12 HG1 GLN 12 12.225 -2.711 -7.658 No H/Q in entry = 8 In of MODEL 10 1 HA CYS 13 HA CYS 13 10.034 3.385 -6.715 2 HB2 CYS 13 HB2 CYS 13 11.732 2.585 -8.657 3 H CYS 13 HN CYS 13 8.909 1.346 -8.398 4 HB3 CYS 13 HB1 CYS 13 10.818 3.802 -9.541 No H/Q in entry = 4 In of MODEL 10 1 HA LYS 14 HA LYS 14 6.465 5.103 -8.586 2 HB2 LYS 14 HB2 LYS 14 6.638 3.108 -10.320 3 HG2 LYS 14 HG2 LYS 14 5.361 5.445 -10.421 4 HD2 LYS 14 HD2 LYS 14 3.133 3.500 -10.923 5 HE2 LYS 14 HE2 LYS 14 2.738 6.325 -10.128 6 HZ1 LYS 14 HZ1 LYS 14 1.494 4.590 -12.192 7 HZ3 LYS 14 HZ2 LYS 14 0.992 6.155 -11.795 8 HZ2 LYS 14 HZ3 LYS 14 0.861 4.912 -10.656 9 H LYS 14 HN LYS 14 7.410 2.566 -7.487 10 HB3 LYS 14 HB1 LYS 14 5.126 2.621 -9.566 11 HG3 LYS 14 HG1 LYS 14 5.228 4.220 -11.684 12 HD3 LYS 14 HD1 LYS 14 3.340 4.275 -9.351 13 HE3 LYS 14 HE1 LYS 14 3.393 6.027 -11.738 No H/Q in entry = 13 In of MODEL 10 1 HA LEU 15 HA LEU 15 4.031 4.415 -4.985 2 HB2 LEU 15 HB2 LEU 15 4.402 7.038 -5.438 3 HG LEU 15 HG LEU 15 2.226 6.075 -3.580 4 HD13 LEU 15 HD11 LEU 15 3.907 4.824 -2.744 5 HD12 LEU 15 HD12 LEU 15 4.384 6.354 -2.009 6 HD11 LEU 15 HD13 LEU 15 5.161 5.809 -3.495 7 HD21 LEU 15 HD21 LEU 15 2.485 8.560 -4.055 8 HD23 LEU 15 HD22 LEU 15 4.047 8.440 -3.246 9 HD22 LEU 15 HD23 LEU 15 2.567 8.058 -2.366 10 H LEU 15 HN LEU 15 5.169 5.894 -7.074 11 HB3 LEU 15 HB1 LEU 15 2.691 6.928 -5.802 No H/Q in entry = 11 In of MODEL 10 1 HA LYS 16 HA LYS 16 0.533 2.843 -7.029 2 HB2 LYS 16 HB2 LYS 16 0.586 1.932 -4.192 3 HG2 LYS 16 HG2 LYS 16 1.576 0.854 -6.466 4 HD2 LYS 16 HD2 LYS 16 -1.196 -0.217 -6.056 5 HE2 LYS 16 HE2 LYS 16 0.991 -1.631 -7.563 6 HZ1 LYS 16 HZ1 LYS 16 -1.554 -1.897 -7.998 7 HZ3 LYS 16 HZ2 LYS 16 -1.489 -2.878 -6.622 8 HZ2 LYS 16 HZ3 LYS 16 -0.541 -3.252 -7.972 9 H LYS 16 HN LYS 16 2.087 3.456 -4.685 10 HB3 LYS 16 HB1 LYS 16 -0.895 1.684 -5.107 11 HG3 LYS 16 HG1 LYS 16 1.152 -0.067 -5.022 12 HD3 LYS 16 HD1 LYS 16 -0.416 0.287 -7.557 13 HE3 LYS 16 HE1 LYS 16 0.512 -2.064 -5.922 No H/Q in entry = 13 In of MODEL 10 1 HA PRO 17 HA PRO 17 -2.758 5.739 -6.644 2 HB2 PRO 17 HB2 PRO 17 -4.989 4.214 -7.024 3 HG2 PRO 17 HG2 PRO 17 -4.043 2.107 -6.801 4 HD2 PRO 17 HD2 PRO 17 -1.760 1.774 -6.900 5 HB3 PRO 17 HB1 PRO 17 -3.891 4.676 -8.330 6 HG3 PRO 17 HG1 PRO 17 -3.817 2.363 -8.542 7 HD3 PRO 17 HD1 PRO 17 -1.568 2.838 -8.308 No H/Q in entry = 7 In of MODEL 10 1 HA ALA 18 HA ALA 18 -3.852 5.576 -2.422 2 HB3 ALA 18 HB1 ALA 18 -5.610 7.862 -3.239 3 HB1 ALA 18 HB2 ALA 18 -3.859 8.050 -3.131 4 HB2 ALA 18 HB3 ALA 18 -4.785 7.585 -1.704 5 H ALA 18 HN ALA 18 -3.746 6.704 -4.981 No H/Q in entry = 5 In of MODEL 10 1 HA3 GLY 19 HA2 GLY 19 -7.310 3.247 -1.137 2 H GLY 19 HN GLY 19 -5.086 3.905 -1.853 3 HA2 GLY 19 HA1 GLY 19 -7.939 3.988 -2.601 No H/Q in entry = 3 In of MODEL 10 1 HA THR 20 HA THR 20 -6.618 -0.171 -3.869 2 HB THR 20 HB THR 20 -5.056 1.141 -5.329 3 HG1 THR 20 HG1 THR 20 -4.251 -1.555 -5.021 4 HG23 THR 20 HG21 THR 20 -2.696 0.824 -5.197 5 HG22 THR 20 HG22 THR 20 -2.867 -0.240 -3.800 6 HG21 THR 20 HG23 THR 20 -3.257 1.474 -3.656 7 H THR 20 HN THR 20 -5.113 1.894 -2.405 No H/Q in entry = 7 In of MODEL 10 1 HA THR 21 HA THR 21 -5.211 -3.140 -1.105 2 HB THR 21 HB THR 21 -4.139 -5.224 -2.409 3 HG1 THR 21 HG1 THR 21 -5.092 -5.293 -4.495 4 HG23 THR 21 HG21 THR 21 -6.087 -5.813 -1.428 5 HG22 THR 21 HG22 THR 21 -6.643 -5.746 -3.100 6 HG21 THR 21 HG23 THR 21 -6.945 -4.389 -2.016 7 H THR 21 HN THR 21 -5.570 -2.341 -3.762 No H/Q in entry = 7 In of MODEL 10 1 HA CYS 22 HA CYS 22 -0.878 -2.594 -0.876 2 HB2 CYS 22 HB2 CYS 22 -2.147 -2.783 1.806 3 H CYS 22 HN CYS 22 -3.430 -3.652 0.116 4 HB3 CYS 22 HB1 CYS 22 -0.394 -2.933 1.737 No H/Q in entry = 4 In of MODEL 10 1 HA TRP 23 HA TRP 23 -0.598 -7.236 -0.557 2 HB2 TRP 23 HB2 TRP 23 1.044 -6.292 1.021 3 HD1 TRP 23 HD1 TRP 23 1.713 -8.623 -0.545 4 HE1 TRP 23 HE1 TRP 23 2.521 -10.885 0.379 5 HE3 TRP 23 HE3 TRP 23 -0.029 -8.212 4.244 6 HZ2 TRP 23 HZ2 TRP 23 2.433 -12.307 2.816 7 HZ3 TRP 23 HZ3 TRP 23 0.375 -10.068 5.809 8 HH2 TRP 23 HH2 TRP 23 1.580 -12.072 5.108 9 H TRP 23 HN TRP 23 -2.353 -5.408 0.652 10 HB3 TRP 23 HB1 TRP 23 -0.015 -6.703 2.365 No H/Q in entry = 10 In of MODEL 10 1 HA ARG 24 HA ARG 24 -4.551 -8.658 1.348 2 HB2 ARG 24 HB2 ARG 24 -5.891 -9.774 -0.457 3 HG2 ARG 24 HG2 ARG 24 -4.010 -8.419 -2.368 4 HD2 ARG 24 HD2 ARG 24 -6.384 -10.243 -2.670 5 HE ARG 24 HE ARG 24 -5.241 -10.986 -4.511 6 HH11 ARG 24 HH11 ARG 24 -4.819 -7.534 -4.228 7 HH12 ARG 24 HH12 ARG 24 -4.054 -7.374 -5.773 8 HH21 ARG 24 HH21 ARG 24 -4.234 -10.779 -6.543 9 HH22 ARG 24 HH22 ARG 24 -3.722 -9.216 -7.088 10 H ARG 24 HN ARG 24 -3.027 -7.642 -0.768 11 HB3 ARG 24 HB1 ARG 24 -5.646 -8.048 -0.686 12 HG3 ARG 24 HG1 ARG 24 -3.953 -10.147 -2.014 13 HD3 ARG 24 HD1 ARG 24 -6.210 -8.589 -3.255 No H/Q in entry = 13 In of MODEL 10 1 HA THR 25 HA THR 25 -2.784 -12.674 1.399 2 HB THR 25 HB THR 25 -2.947 -13.300 4.000 3 HG1 THR 25 HG1 THR 25 -3.032 -10.468 3.973 4 HG22 THR 25 HG21 THR 25 -1.045 -11.146 3.146 5 HG21 THR 25 HG22 THR 25 -0.879 -12.827 2.638 6 HG23 THR 25 HG23 THR 25 -0.803 -12.411 4.350 7 H THR 25 HN THR 25 -4.438 -10.485 2.467 No H/Q in entry = 7 In of MODEL 10 1 HA SER 26 HA SER 26 -7.243 -13.965 1.688 2 HB2 SER 26 HB2 SER 26 -6.105 -14.510 4.381 3 HG SER 26 HG SER 26 -5.484 -15.719 2.549 4 H SER 26 HN SER 26 -5.855 -11.842 2.859 5 HB3 SER 26 HB1 SER 26 -7.765 -15.029 4.092 No H/Q in entry = 5 In of MODEL 10 1 HA VAL 27 HA VAL 27 -9.706 -10.797 3.843 2 HB VAL 27 HB VAL 27 -10.139 -12.615 5.443 3 H VAL 27 HN VAL 27 -7.044 -11.781 4.440 No H/Q in entry = 3 In of MODEL 10 1 HA SER 28 HA SER 28 -7.346 -8.039 6.994 2 HB2 SER 28 HB2 SER 28 -5.713 -9.529 8.012 3 HG SER 28 HG SER 28 -3.777 -7.939 7.580 4 H SER 28 HN SER 28 -6.916 -10.621 6.010 5 HB3 SER 28 HB1 SER 28 -4.741 -9.514 6.541 No H/Q in entry = 5 In of MODEL 10 1 HA SER 29 HA SER 29 -5.617 -5.770 3.646 2 HB2 SER 29 HB2 SER 29 -8.329 -4.505 4.093 3 HG SER 29 HG SER 29 -7.972 -6.349 2.069 4 H SER 29 HN SER 29 -7.223 -6.096 6.089 5 HB3 SER 29 HB1 SER 29 -7.341 -4.409 2.636 No H/Q in entry = 5 In of MODEL 10 1 HA HIS 30 HA HIS 30 -4.600 -2.084 5.791 2 HB2 HIS 30 HB2 HIS 30 -2.315 -2.799 3.951 3 HD1 HIS 30 HD1 HIS 30 -0.160 -3.281 5.770 4 HD2 HIS 30 HD2 HIS 30 -4.057 -4.173 6.902 5 HE1 HIS 30 HE1 HIS 30 0.048 -4.946 7.643 6 HE2 HIS 30 HE2 HIS 30 -2.324 -5.536 8.253 7 H HIS 30 HN HIS 30 -4.482 -3.887 3.467 8 HB3 HIS 30 HB1 HIS 30 -2.241 -1.474 5.108 No H/Q in entry = 8 In of MODEL 10 1 HA TYR 31 HA TYR 31 -5.178 -0.767 0.692 2 HB2 TYR 31 HB2 TYR 31 -6.209 0.889 3.004 3 HD1 TYR 31 HD1 TYR 31 -8.273 0.362 3.964 4 HD2 TYR 31 HD2 TYR 31 -7.049 -1.653 0.422 5 HE1 TYR 31 HE1 TYR 31 -10.191 -1.162 4.174 6 HE2 TYR 31 HE2 TYR 31 -8.965 -3.181 0.622 7 HH TYR 31 HH TYR 31 -11.496 -2.790 1.993 8 H TYR 31 HN TYR 31 -4.620 -2.270 2.304 9 HB3 TYR 31 HB1 TYR 31 -6.590 1.142 1.304 No H/Q in entry = 9 In of MODEL 10 1 HA CYS 32 HA CYS 32 -1.708 1.845 0.752 2 HB2 CYS 32 HB2 CYS 32 -2.502 1.158 -1.831 3 H CYS 32 HN CYS 32 -4.080 0.752 -0.438 4 HB3 CYS 32 HB1 CYS 32 -2.349 2.911 -1.876 No H/Q in entry = 4 In of MODEL 10 1 HA THR 33 HA THR 33 -3.449 5.690 1.747 2 HB THR 33 HB THR 33 -1.839 7.152 2.778 3 HG1 THR 33 HG1 THR 33 0.159 5.547 1.565 4 HG22 THR 33 HG21 THR 33 -0.320 5.246 3.928 5 HG21 THR 33 HG22 THR 33 -1.659 4.275 3.316 6 HG23 THR 33 HG23 THR 33 -1.975 5.624 4.408 7 H THR 33 HN THR 33 -1.217 3.968 1.178 No H/Q in entry = 7 In of MODEL 10 1 HA3 GLY 34 HA2 GLY 34 -1.032 6.555 -2.750 2 H GLY 34 HN GLY 34 -0.728 5.695 -0.521 3 HA2 GLY 34 HA1 GLY 34 -2.180 7.715 -2.099 No H/Q in entry = 3 In of MODEL 10 1 HA ARG 35 HA ARG 35 1.290 10.243 -1.201 2 HB2 ARG 35 HB2 ARG 35 -0.265 10.519 0.974 3 HG2 ARG 35 HG2 ARG 35 2.115 12.001 0.048 4 HD2 ARG 35 HD2 ARG 35 0.754 12.969 2.518 5 HE ARG 35 HE ARG 35 2.308 14.578 2.126 6 HH11 ARG 35 HH11 ARG 35 3.684 11.508 1.196 7 HH12 ARG 35 HH12 ARG 35 5.225 12.182 0.785 8 HH21 ARG 35 HH21 ARG 35 4.334 15.465 1.585 9 HH22 ARG 35 HH22 ARG 35 5.595 14.428 1.006 10 H ARG 35 HN ARG 35 -0.352 8.281 0.195 11 HB3 ARG 35 HB1 ARG 35 1.257 10.131 1.764 12 HG3 ARG 35 HG1 ARG 35 0.452 12.545 0.276 13 HD3 ARG 35 HD1 ARG 35 2.081 11.817 2.664 No H/Q in entry = 13 In of MODEL 10 1 HA SER 36 HA SER 36 4.439 7.277 0.142 2 HB2 SER 36 HB2 SER 36 4.249 8.429 2.357 3 HG SER 36 HG SER 36 5.744 7.047 3.391 4 H SER 36 HN SER 36 1.598 7.374 0.759 5 HB3 SER 36 HB1 SER 36 3.468 6.982 2.993 No H/Q in entry = 5 In of MODEL 10 1 HA CYS 37 HA CYS 37 3.633 3.057 -0.195 2 HB2 CYS 37 HB2 CYS 37 6.239 3.409 -0.544 3 H CYS 37 HN CYS 37 5.389 5.149 0.625 4 HB3 CYS 37 HB1 CYS 37 6.330 2.455 0.932 No H/Q in entry = 4 In of MODEL 10 1 HA GLU 38 HA GLU 38 4.530 1.925 4.450 2 HB2 GLU 38 HB2 GLU 38 4.237 3.477 6.335 3 HG2 GLU 38 HG2 GLU 38 4.621 5.985 5.286 4 H GLU 38 HN GLU 38 4.824 4.188 2.867 5 HB3 GLU 38 HB1 GLU 38 5.552 3.974 5.279 6 HG3 GLU 38 HG1 GLU 38 3.373 5.302 4.245 No H/Q in entry = 6 In of MODEL 10 1 HA CYS 39 HA CYS 39 0.116 1.749 3.890 2 HB2 CYS 39 HB2 CYS 39 1.104 -1.094 4.182 3 H CYS 39 HN CYS 39 2.763 0.665 4.098 4 HB3 CYS 39 HB1 CYS 39 -0.579 -0.654 3.917 No H/Q in entry = 4 In of MODEL 10 1 HA PRO 40 HA PRO 40 -1.166 2.073 8.088 2 HB2 PRO 40 HB2 PRO 40 -3.551 0.483 7.269 3 HG2 PRO 40 HG2 PRO 40 -4.122 1.912 5.522 4 HD2 PRO 40 HD2 PRO 40 -2.351 0.786 4.564 5 HB3 PRO 40 HB1 PRO 40 -3.468 2.042 8.098 6 HG3 PRO 40 HG1 PRO 40 -3.086 3.216 6.133 7 HD3 PRO 40 HD1 PRO 40 -1.671 2.424 4.496 No H/Q in entry = 7 In of MODEL 10 1 HA SER 41 HA SER 41 -1.242 -2.140 9.622 2 HB2 SER 41 HB2 SER 41 0.373 -0.436 10.853 3 HG SER 41 HG SER 41 -0.213 -2.863 12.173 4 H SER 41 HN SER 41 -2.142 0.643 9.892 5 HB3 SER 41 HB1 SER 41 -0.729 -0.719 12.201 No H/Q in entry = 5 In of MODEL 10 1 HA TYR 42 HA TYR 42 -5.069 -2.614 11.671 2 HB2 TYR 42 HB2 TYR 42 -4.896 -0.346 12.638 3 HD1 TYR 42 HD1 TYR 42 -5.979 -1.642 14.385 4 HD2 TYR 42 HD2 TYR 42 -8.211 -0.100 11.108 5 HE1 TYR 42 HE1 TYR 42 -8.066 -2.081 15.608 6 HE2 TYR 42 HE2 TYR 42 -10.305 -0.533 12.323 7 HH TYR 42 HH TYR 42 -10.667 -0.845 15.314 8 H TYR 42 HN TYR 42 -3.893 -1.036 9.537 9 HB3 TYR 42 HB1 TYR 42 -5.819 0.292 11.281 No H/Q in entry = 9 In of MODEL 10 1 HA PRO 43 HA PRO 43 -7.752 -3.627 8.288 2 HB2 PRO 43 HB2 PRO 43 -9.749 -4.840 9.663 3 HG2 PRO 43 HG2 PRO 43 -9.198 -4.165 11.816 4 HD2 PRO 43 HD2 PRO 43 -7.123 -3.303 12.326 5 HB3 PRO 43 HB1 PRO 43 -8.175 -5.599 9.394 6 HG3 PRO 43 HG1 PRO 43 -8.276 -5.676 11.717 7 HD3 PRO 43 HD1 PRO 43 -6.267 -4.581 11.440 No H/Q in entry = 7 In of MODEL 10 1 HA3 GLY 44 HA2 GLY 44 -10.484 -0.247 8.120 2 H GLY 44 HN GLY 44 -9.402 -2.671 7.210 3 HA2 GLY 44 HA1 GLY 44 -11.061 -1.159 6.733 No H/Q in entry = 3 In of MODEL 10 1 HA ASN 45 HA ASN 45 -14.344 -2.119 9.464 2 HB2 ASN 45 HB2 ASN 45 -14.188 0.551 9.674 3 HD21 ASN 45 HD21 ASN 45 -17.429 -0.780 9.680 4 HD22 ASN 45 HD22 ASN 45 -17.552 -0.967 11.393 5 H ASN 45 HN ASN 45 -13.203 -0.500 7.287 6 HB3 ASN 45 HB1 ASN 45 -15.693 0.435 8.767 No H/Q in entry = 6 In of MODEL 10 1 HA3 GLY 46 HA2 GLY 46 -16.387 -1.523 4.873 2 H GLY 46 HN GLY 46 -15.562 -0.041 6.828 3 HA2 GLY 46 HA1 GLY 46 -17.427 -2.200 6.116 No H/Q in entry = 3 In of MODEL 11 1 H1 ALA 1 HT2 ALA 1 15.431 11.665 2.920 2 H2 ALA 1 HT1 ALA 1 15.940 10.151 2.293 3 H3 ALA 1 HT3 ALA 1 17.054 11.448 2.408 4 HA ALA 1 HA ALA 1 15.915 12.677 0.789 5 HB1 ALA 1 HB1 ALA 1 16.037 9.925 -0.371 6 HB3 ALA 1 HB2 ALA 1 17.504 10.705 0.222 7 HB2 ALA 1 HB3 ALA 1 16.563 11.458 -1.065 No H/Q in entry = 7 In of MODEL 11 1 HA MET 2 HA MET 2 11.869 11.105 -0.240 2 HB2 MET 2 HB2 MET 2 10.508 13.157 -0.705 3 H MET 2 HN MET 2 14.272 12.631 -0.962 4 HG2 MET 2 HG2 MET 2 13.187 14.323 -1.059 5 HE1 MET 2 HE1 MET 2 9.812 15.633 -0.525 6 HB3 MET 2 HB1 MET 2 11.498 13.255 0.744 7 HE3 MET 2 HE2 MET 2 10.280 17.325 -0.351 8 HE2 MET 2 HE3 MET 2 9.818 16.387 1.069 9 HG3 MET 2 HG1 MET 2 11.639 14.792 -1.758 No H/Q in entry = 9 In of MODEL 11 1 HA ASP 3 HA ASP 3 12.405 11.481 -4.762 2 HB2 ASP 3 HB2 ASP 3 15.020 11.356 -4.299 3 H ASP 3 HN ASP 3 13.765 10.623 -2.323 4 HB3 ASP 3 HB1 ASP 3 14.791 9.691 -4.827 No H/Q in entry = 4 In of MODEL 11 1 HA CYS 4 HA CYS 4 9.410 8.500 -5.870 2 HB2 CYS 4 HB2 CYS 4 11.692 7.970 -7.074 3 H CYS 4 HN CYS 4 10.716 10.285 -5.343 4 HB3 CYS 4 HB1 CYS 4 11.790 6.685 -5.875 No H/Q in entry = 4 In of MODEL 11 1 HA THR 5 HA THR 5 8.983 7.086 -1.695 2 HB THR 5 HB THR 5 6.551 6.188 -1.570 3 HG1 THR 5 HG1 THR 5 6.415 6.167 -3.945 4 HG23 THR 5 HG21 THR 5 5.600 8.394 -1.346 5 HG22 THR 5 HG22 THR 5 6.964 9.096 -2.215 6 HG21 THR 5 HG23 THR 5 7.213 8.352 -0.636 7 H THR 5 HN THR 5 8.133 7.944 -4.222 No H/Q in entry = 7 In of MODEL 11 1 HA THR 6 HA THR 6 8.575 2.684 -2.472 2 HB THR 6 HB THR 6 10.721 2.612 -0.427 3 HG1 THR 6 HG1 THR 6 11.382 4.497 -1.196 4 HG23 THR 6 HG21 THR 6 10.636 0.681 -1.712 5 HG22 THR 6 HG22 THR 6 11.943 1.617 -2.439 6 HG21 THR 6 HG23 THR 6 10.356 1.574 -3.207 7 H THR 6 HN THR 6 8.607 4.982 -0.682 No H/Q in entry = 7 In of MODEL 11 1 HA3 GLY 7 HA2 GLY 7 7.664 0.217 1.163 2 H GLY 7 HN GLY 7 7.763 0.843 -1.545 3 HA2 GLY 7 HA1 GLY 7 6.210 1.137 0.807 No H/Q in entry = 3 In of MODEL 11 1 HA PRO 8 HA PRO 8 5.319 -3.340 -0.062 2 HB2 PRO 8 HB2 PRO 8 2.876 -3.357 1.120 3 HG2 PRO 8 HG2 PRO 8 2.756 -1.134 1.780 4 HD2 PRO 8 HD2 PRO 8 4.621 0.219 1.850 5 HB3 PRO 8 HB1 PRO 8 4.375 -3.641 2.012 6 HG3 PRO 8 HG1 PRO 8 3.520 -1.844 3.215 7 HD3 PRO 8 HD1 PRO 8 5.601 -1.011 2.674 No H/Q in entry = 7 In of MODEL 11 1 HA CYS 9 HA CYS 9 1.839 -1.672 -2.578 2 HB2 CYS 9 HB2 CYS 9 0.612 -0.526 -0.655 3 H CYS 9 HN CYS 9 3.242 -0.482 -0.300 4 HB3 CYS 9 HB1 CYS 9 1.242 0.990 -1.290 No H/Q in entry = 4 In of MODEL 11 1 HA CYS 10 HA CYS 10 4.312 1.361 -4.743 2 HB2 CYS 10 HB2 CYS 10 6.023 1.169 -2.640 3 H CYS 10 HN CYS 10 4.560 -0.943 -2.923 4 HB3 CYS 10 HB1 CYS 10 7.023 0.515 -3.933 No H/Q in entry = 4 In of MODEL 11 1 HA ARG 11 HA ARG 11 5.531 -1.653 -7.678 2 HB2 ARG 11 HB2 ARG 11 3.311 -0.332 -8.438 3 HG2 ARG 11 HG2 ARG 11 4.958 -2.380 -9.785 4 HD2 ARG 11 HD2 ARG 11 2.815 -0.785 -11.152 5 HE ARG 11 HE ARG 11 2.035 -2.769 -11.953 6 HH11 ARG 11 HH11 ARG 11 5.498 -3.015 -11.606 7 HH12 ARG 11 HH12 ARG 11 5.586 -4.582 -12.337 8 HH21 ARG 11 HH21 ARG 11 2.148 -4.831 -12.914 9 HH22 ARG 11 HH22 ARG 11 3.684 -5.613 -13.080 10 H ARG 11 HN ARG 11 4.591 0.995 -6.845 11 HB3 ARG 11 HB1 ARG 11 4.425 0.243 -9.671 12 HG3 ARG 11 HG1 ARG 11 3.275 -2.439 -9.254 13 HD3 ARG 11 HD1 ARG 11 4.415 -1.220 -11.751 No H/Q in entry = 13 In of MODEL 11 1 HA GLN 12 HA GLN 12 9.818 -0.992 -8.423 2 HB2 GLN 12 HB2 GLN 12 8.053 -0.251 -10.680 3 HG2 GLN 12 HG2 GLN 12 10.212 -1.495 -11.738 4 HE21 GLN 12 HE21 GLN 12 8.205 -1.611 -12.975 5 HE22 GLN 12 HE22 GLN 12 7.171 -2.977 -12.755 6 H GLN 12 HN GLN 12 7.739 -1.473 -7.642 7 HB3 GLN 12 HB1 GLN 12 9.679 0.416 -10.722 8 HG3 GLN 12 HG1 GLN 12 10.184 -2.181 -10.115 No H/Q in entry = 8 In of MODEL 11 1 HA CYS 13 HA CYS 13 9.342 3.543 -7.620 2 HB2 CYS 13 HB2 CYS 13 10.935 3.178 -9.764 3 H CYS 13 HN CYS 13 8.249 1.887 -9.745 4 HB3 CYS 13 HB1 CYS 13 9.968 4.530 -10.344 No H/Q in entry = 4 In of MODEL 11 1 HA LYS 14 HA LYS 14 5.676 5.582 -8.851 2 HB2 LYS 14 HB2 LYS 14 5.750 3.923 -10.957 3 HG2 LYS 14 HG2 LYS 14 4.742 6.314 -10.692 4 HD2 LYS 14 HD2 LYS 14 2.228 4.680 -10.981 5 HE2 LYS 14 HE2 LYS 14 2.931 7.532 -11.175 6 HZ2 LYS 14 HZ1 LYS 14 1.078 8.376 -10.131 7 HZ1 LYS 14 HZ2 LYS 14 1.563 7.183 -9.035 8 HZ3 LYS 14 HZ3 LYS 14 0.273 6.888 -10.087 9 H LYS 14 HN LYS 14 6.681 2.894 -8.339 10 HB3 LYS 14 HB1 LYS 14 4.221 3.409 -10.258 11 HG3 LYS 14 HG1 LYS 14 4.275 5.289 -12.051 12 HD3 LYS 14 HD1 LYS 14 2.725 5.446 -9.471 13 HE3 LYS 14 HE1 LYS 14 1.614 6.633 -11.928 No H/Q in entry = 13 In of MODEL 11 1 HA LEU 15 HA LEU 15 3.128 4.334 -5.569 2 HB2 LEU 15 HB2 LEU 15 3.073 6.974 -5.821 3 HG LEU 15 HG LEU 15 2.563 5.719 -3.706 4 HD12 LEU 15 HD11 LEU 15 0.985 7.564 -2.847 5 HD11 LEU 15 HD12 LEU 15 1.134 8.237 -4.470 6 HD13 LEU 15 HD13 LEU 15 2.570 8.029 -3.467 7 HD22 LEU 15 HD21 LEU 15 0.754 4.354 -4.112 8 HD21 LEU 15 HD22 LEU 15 -0.110 5.589 -5.027 9 HD23 LEU 15 HD23 LEU 15 -0.011 5.702 -3.270 10 H LEU 15 HN LEU 15 3.905 6.075 -7.670 11 HB3 LEU 15 HB1 LEU 15 1.429 6.655 -6.340 No H/Q in entry = 11 In of MODEL 11 1 HA LYS 16 HA LYS 16 0.231 2.013 -7.879 2 HB2 LYS 16 HB2 LYS 16 0.320 1.134 -5.040 3 HG2 LYS 16 HG2 LYS 16 0.507 -0.270 -7.691 4 HD2 LYS 16 HD2 LYS 16 -0.016 -1.312 -4.991 5 HE2 LYS 16 HE2 LYS 16 2.270 -1.950 -5.035 6 HZ1 LYS 16 HZ1 LYS 16 1.800 -2.316 -7.878 7 HZ3 LYS 16 HZ2 LYS 16 2.820 -3.451 -7.150 8 HZ2 LYS 16 HZ3 LYS 16 3.194 -1.804 -7.066 9 H LYS 16 HN LYS 16 1.711 2.729 -5.614 10 HB3 LYS 16 HB1 LYS 16 -1.086 0.661 -5.984 11 HG3 LYS 16 HG1 LYS 16 1.797 0.004 -6.518 12 HD3 LYS 16 HD1 LYS 16 -0.317 -2.043 -6.570 13 HE3 LYS 16 HE1 LYS 16 1.330 -3.371 -5.485 No H/Q in entry = 13 In of MODEL 11 1 HA PRO 17 HA PRO 17 -3.403 4.499 -7.944 2 HB2 PRO 17 HB2 PRO 17 -4.900 1.937 -8.227 3 HG2 PRO 17 HG2 PRO 17 -3.667 1.213 -10.064 4 HD2 PRO 17 HD2 PRO 17 -2.160 0.790 -8.369 5 HB3 PRO 17 HB1 PRO 17 -4.953 3.389 -9.233 6 HG3 PRO 17 HG1 PRO 17 -3.011 2.831 -10.373 7 HD3 PRO 17 HD1 PRO 17 -1.177 1.942 -9.296 No H/Q in entry = 7 In of MODEL 11 1 HA ALA 18 HA ALA 18 -4.753 4.307 -3.806 2 HB2 ALA 18 HB1 ALA 18 -5.872 6.202 -3.255 3 HB3 ALA 18 HB2 ALA 18 -6.967 6.089 -4.632 4 HB1 ALA 18 HB3 ALA 18 -5.325 6.693 -4.858 5 H ALA 18 HN ALA 18 -4.704 5.321 -6.414 No H/Q in entry = 5 In of MODEL 11 1 HA3 GLY 19 HA2 GLY 19 -7.967 1.575 -2.794 2 H GLY 19 HN GLY 19 -5.578 2.331 -3.407 3 HA2 GLY 19 HA1 GLY 19 -8.217 1.668 -4.530 No H/Q in entry = 3 In of MODEL 11 1 HA THR 20 HA THR 20 -5.948 -1.993 -5.357 2 HB THR 20 HB THR 20 -3.148 -0.953 -5.039 3 HG1 THR 20 HG1 THR 20 -3.776 0.582 -6.355 4 HG22 THR 20 HG21 THR 20 -2.699 -2.356 -6.981 5 HG21 THR 20 HG22 THR 20 -4.389 -2.857 -7.009 6 HG23 THR 20 HG23 THR 20 -3.364 -3.289 -5.641 7 H THR 20 HN THR 20 -5.410 0.722 -4.991 No H/Q in entry = 7 In of MODEL 11 1 HA THR 21 HA THR 21 -5.353 -3.809 -1.495 2 HB THR 21 HB THR 21 -4.518 -6.194 -1.682 3 HG1 THR 21 HG1 THR 21 -3.809 -6.899 -3.528 4 HG21 THR 21 HG21 THR 21 -6.986 -5.144 -2.413 5 HG23 THR 21 HG22 THR 21 -6.612 -6.818 -2.005 6 HG22 THR 21 HG23 THR 21 -6.573 -6.291 -3.687 7 H THR 21 HN THR 21 -5.242 -3.857 -4.293 No H/Q in entry = 7 In of MODEL 11 1 HA CYS 22 HA CYS 22 -1.063 -3.415 -0.707 2 HB2 CYS 22 HB2 CYS 22 -2.642 -2.420 1.239 3 H CYS 22 HN CYS 22 -3.736 -4.368 0.066 4 HB3 CYS 22 HB1 CYS 22 -1.775 -3.643 2.162 No H/Q in entry = 4 In of MODEL 11 1 HA TRP 23 HA TRP 23 -0.808 -7.834 0.686 2 HB2 TRP 23 HB2 TRP 23 0.545 -6.549 2.325 3 HD1 TRP 23 HD1 TRP 23 1.323 -9.159 1.169 4 HE1 TRP 23 HE1 TRP 23 2.112 -11.179 2.556 5 HE3 TRP 23 HE3 TRP 23 -0.702 -7.885 5.688 6 HZ2 TRP 23 HZ2 TRP 23 1.904 -12.109 5.213 7 HZ3 TRP 23 HZ3 TRP 23 -0.361 -9.394 7.601 8 HH2 TRP 23 HH2 TRP 23 0.915 -11.462 7.366 9 H TRP 23 HN TRP 23 -2.660 -5.781 1.422 10 HB3 TRP 23 HB1 TRP 23 -0.704 -6.821 3.535 No H/Q in entry = 10 In of MODEL 11 1 HA ARG 24 HA ARG 24 -4.450 -9.639 2.460 2 HB2 ARG 24 HB2 ARG 24 -5.754 -8.185 0.975 3 HG2 ARG 24 HG2 ARG 24 -6.468 -11.022 1.311 4 HD2 ARG 24 HD2 ARG 24 -7.160 -10.777 -0.973 5 HE ARG 24 HE ARG 24 -7.910 -8.100 -0.253 6 HH11 ARG 24 HH11 ARG 24 -8.458 -10.712 -2.501 7 HH12 ARG 24 HH12 ARG 24 -9.033 -9.673 -3.761 8 HH21 ARG 24 HH21 ARG 24 -8.665 -6.732 -1.909 9 HH22 ARG 24 HH22 ARG 24 -9.150 -7.413 -3.426 10 H ARG 24 HN ARG 24 -2.954 -8.633 0.132 11 HB3 ARG 24 HB1 ARG 24 -5.383 -9.233 -0.387 12 HG3 ARG 24 HG1 ARG 24 -7.343 -9.562 1.779 13 HD3 ARG 24 HD1 ARG 24 -8.585 -10.699 0.063 No H/Q in entry = 13 In of MODEL 11 1 HA THR 25 HA THR 25 -3.219 -13.517 0.820 2 HB THR 25 HB THR 25 -3.162 -15.071 2.983 3 HG1 THR 25 HG1 THR 25 -3.344 -14.036 4.794 4 HG22 THR 25 HG21 THR 25 -0.909 -14.187 3.539 5 HG21 THR 25 HG22 THR 25 -1.198 -12.873 2.400 6 HG23 THR 25 HG23 THR 25 -1.149 -14.540 1.828 7 H THR 25 HN THR 25 -4.257 -11.727 2.892 No H/Q in entry = 7 In of MODEL 11 1 HA SER 26 HA SER 26 -7.763 -14.406 1.349 2 HB2 SER 26 HB2 SER 26 -6.375 -16.102 3.356 3 HG SER 26 HG SER 26 -7.682 -17.462 1.516 4 H SER 26 HN SER 26 -5.938 -13.075 2.997 5 HB3 SER 26 HB1 SER 26 -8.120 -16.312 3.207 No H/Q in entry = 5 In of MODEL 11 1 HA VAL 27 HA VAL 27 -9.678 -12.722 5.109 2 HB VAL 27 HB VAL 27 -9.054 -14.605 6.564 3 H VAL 27 HN VAL 27 -6.899 -13.599 4.667 No H/Q in entry = 3 In of MODEL 11 1 HA SER 28 HA SER 28 -6.556 -9.613 7.060 2 HB2 SER 28 HB2 SER 28 -4.271 -9.094 6.304 3 HG SER 28 HG SER 28 -3.507 -11.089 4.923 4 H SER 28 HN SER 28 -6.274 -11.996 5.620 5 HB3 SER 28 HB1 SER 28 -4.406 -10.777 6.816 No H/Q in entry = 5 In of MODEL 11 1 HA SER 29 HA SER 29 -6.518 -6.787 3.496 2 HB2 SER 29 HB2 SER 29 -8.658 -5.852 5.408 3 HG SER 29 HG SER 29 -9.684 -7.650 5.098 4 H SER 29 HN SER 29 -6.044 -7.410 6.245 5 HB3 SER 29 HB1 SER 29 -8.643 -5.730 3.649 No H/Q in entry = 5 In of MODEL 11 1 HA HIS 30 HA HIS 30 -5.018 -3.032 5.223 2 HB2 HIS 30 HB2 HIS 30 -2.987 -4.416 3.551 3 HD1 HIS 30 HD1 HIS 30 -1.081 -2.541 5.708 4 HD2 HIS 30 HD2 HIS 30 -3.820 -5.597 6.364 5 HE1 HIS 30 HE1 HIS 30 -0.507 -3.485 7.967 6 HE2 HIS 30 HE2 HIS 30 -2.227 -5.279 8.377 7 H HIS 30 HN HIS 30 -5.366 -5.025 3.082 8 HB3 HIS 30 HB1 HIS 30 -2.725 -2.705 3.875 No H/Q in entry = 8 In of MODEL 11 1 HA TYR 31 HA TYR 31 -5.367 -2.299 -0.064 2 HB2 TYR 31 HB2 TYR 31 -6.981 -0.820 2.022 3 HD1 TYR 31 HD1 TYR 31 -7.611 -2.607 -1.196 4 HD2 TYR 31 HD2 TYR 31 -8.473 -2.317 2.960 5 HE1 TYR 31 HE1 TYR 31 -9.312 -4.366 -1.433 6 HE2 TYR 31 HE2 TYR 31 -10.176 -4.077 2.735 7 HH TYR 31 HH TYR 31 -10.761 -5.897 1.269 8 H TYR 31 HN TYR 31 -4.865 -3.613 1.723 9 HB3 TYR 31 HB1 TYR 31 -7.073 -0.501 0.293 No H/Q in entry = 9 In of MODEL 11 1 HA CYS 32 HA CYS 32 -2.585 1.010 0.094 2 HB2 CYS 32 HB2 CYS 32 -3.268 0.440 -2.472 3 H CYS 32 HN CYS 32 -4.904 -0.243 -1.084 4 HB3 CYS 32 HB1 CYS 32 -3.711 2.142 -2.392 No H/Q in entry = 4 In of MODEL 11 1 HA THR 33 HA THR 33 -4.858 4.682 0.946 2 HB THR 33 HB THR 33 -2.938 4.640 2.484 3 HG1 THR 33 HG1 THR 33 -4.369 6.404 2.599 4 HG22 THR 33 HG21 THR 33 -1.461 6.689 0.965 5 HG21 THR 33 HG22 THR 33 -1.304 5.022 0.411 6 HG23 THR 33 HG23 THR 33 -0.877 5.444 2.069 7 H THR 33 HN THR 33 -2.423 3.487 -0.201 No H/Q in entry = 7 In of MODEL 11 1 HA3 GLY 34 HA2 GLY 34 -2.529 6.201 -3.452 2 H GLY 34 HN GLY 34 -2.228 5.136 -1.355 3 HA2 GLY 34 HA1 GLY 34 -3.906 7.065 -2.786 No H/Q in entry = 3 In of MODEL 11 1 HA ARG 35 HA ARG 35 -1.327 10.276 -1.355 2 HB2 ARG 35 HB2 ARG 35 -1.720 9.046 1.334 3 HG2 ARG 35 HG2 ARG 35 -2.218 11.903 0.667 4 HD2 ARG 35 HD2 ARG 35 -2.596 10.582 2.920 5 HE ARG 35 HE ARG 35 -4.283 9.072 2.732 6 HH11 ARG 35 HH11 ARG 35 -4.997 11.754 0.616 7 HH12 ARG 35 HH12 ARG 35 -6.536 11.125 0.132 8 HH21 ARG 35 HH21 ARG 35 -6.307 8.243 2.097 9 HH22 ARG 35 HH22 ARG 35 -7.281 9.132 0.973 10 H ARG 35 HN ARG 35 -2.418 7.835 -0.362 11 HB3 ARG 35 HB1 ARG 35 -0.582 10.380 1.191 12 HG3 ARG 35 HG1 ARG 35 -3.312 10.671 0.033 13 HD3 ARG 35 HD1 ARG 35 -3.726 11.821 2.376 No H/Q in entry = 13 In of MODEL 11 1 HA SER 36 HA SER 36 2.564 7.896 -1.417 2 HB2 SER 36 HB2 SER 36 2.933 8.910 0.732 3 HG SER 36 HG SER 36 4.779 7.943 0.963 4 H SER 36 HN SER 36 0.008 7.230 -0.280 5 HB3 SER 36 HB1 SER 36 2.285 7.499 1.568 No H/Q in entry = 5 In of MODEL 11 1 HA CYS 37 HA CYS 37 2.803 3.620 -1.878 2 HB2 CYS 37 HB2 CYS 37 5.661 4.404 -1.431 3 H CYS 37 HN CYS 37 4.136 6.016 -1.094 4 HB3 CYS 37 HB1 CYS 37 5.245 2.706 -1.631 No H/Q in entry = 4 In of MODEL 11 1 HA GLU 38 HA GLU 38 4.341 2.368 2.488 2 HB2 GLU 38 HB2 GLU 38 5.317 4.678 3.108 3 HG2 GLU 38 HG2 GLU 38 4.288 2.610 4.935 4 H GLU 38 HN GLU 38 4.166 4.820 1.102 5 HB3 GLU 38 HB1 GLU 38 3.741 4.996 3.821 6 HG3 GLU 38 HG1 GLU 38 5.920 3.245 4.737 No H/Q in entry = 6 In of MODEL 11 1 HA CYS 39 HA CYS 39 0.077 1.909 3.275 2 HB2 CYS 39 HB2 CYS 39 1.438 -0.494 3.145 3 H CYS 39 HN CYS 39 2.876 1.187 3.584 4 HB3 CYS 39 HB1 CYS 39 0.641 -0.574 4.713 No H/Q in entry = 4 In of MODEL 11 1 HA PRO 40 HA PRO 40 -0.686 3.502 7.309 2 HB2 PRO 40 HB2 PRO 40 -3.005 1.629 7.377 3 HG2 PRO 40 HG2 PRO 40 -3.912 2.401 5.377 4 HD2 PRO 40 HD2 PRO 40 -2.181 1.108 4.568 5 HB3 PRO 40 HB1 PRO 40 -2.957 3.373 7.662 6 HG3 PRO 40 HG1 PRO 40 -2.928 3.876 5.397 7 HD3 PRO 40 HD1 PRO 40 -1.664 2.668 3.896 No H/Q in entry = 7 In of MODEL 11 1 HA SER 41 HA SER 41 0.341 0.266 10.073 2 HB2 SER 41 HB2 SER 41 -0.308 2.353 12.150 3 HG SER 41 HG SER 41 1.639 3.340 11.635 4 H SER 41 HN SER 41 -1.140 2.752 9.590 5 HB3 SER 41 HB1 SER 41 0.978 1.146 12.173 No H/Q in entry = 5 In of MODEL 11 1 HA TYR 42 HA TYR 42 -3.630 -0.447 12.232 2 HB2 TYR 42 HB2 TYR 42 -3.908 1.800 13.256 3 HD1 TYR 42 HD1 TYR 42 -7.235 1.834 11.972 4 HD2 TYR 42 HD2 TYR 42 -4.662 -0.189 14.690 5 HE1 TYR 42 HE1 TYR 42 -9.197 0.943 13.156 6 HE2 TYR 42 HE2 TYR 42 -6.617 -1.086 15.882 7 HH TYR 42 HH TYR 42 -9.198 -0.201 16.113 8 H TYR 42 HN TYR 42 -2.708 1.862 10.665 9 HB3 TYR 42 HB1 TYR 42 -4.937 2.261 11.904 No H/Q in entry = 9 In of MODEL 11 1 HA PRO 43 HA PRO 43 -5.536 -1.242 8.122 2 HB2 PRO 43 HB2 PRO 43 -5.617 -3.940 8.427 3 HG2 PRO 43 HG2 PRO 43 -4.797 -4.101 10.594 4 HD2 PRO 43 HD2 PRO 43 -3.701 -2.348 11.616 5 HB3 PRO 43 HB1 PRO 43 -4.186 -3.080 7.846 6 HG3 PRO 43 HG1 PRO 43 -3.279 -4.188 9.679 7 HD3 PRO 43 HD1 PRO 43 -2.702 -2.013 10.188 No H/Q in entry = 7 In of MODEL 11 1 HA3 GLY 44 HA2 GLY 44 -9.590 -2.945 8.826 2 H GLY 44 HN GLY 44 -7.675 -1.351 7.741 3 HA2 GLY 44 HA1 GLY 44 -9.474 -1.622 9.976 No H/Q in entry = 3 In of MODEL 11 1 HA ASN 45 HA ASN 45 -9.878 1.801 6.492 2 HB2 ASN 45 HB2 ASN 45 -10.235 -0.579 5.276 3 HD21 ASN 45 HD21 ASN 45 -8.901 1.088 4.208 4 HD22 ASN 45 HD22 ASN 45 -9.644 2.057 2.987 5 H ASN 45 HN ASN 45 -8.803 0.302 7.822 6 HB3 ASN 45 HB1 ASN 45 -11.916 -0.146 5.572 No H/Q in entry = 6 In of MODEL 11 1 HA3 GLY 46 HA2 GLY 46 -12.868 4.411 8.333 2 H GLY 46 HN GLY 46 -10.982 3.314 7.549 3 HA2 GLY 46 HA1 GLY 46 -13.792 2.940 8.073 No H/Q in entry = 3 In of MODEL 12 1 H1 ALA 1 HT1 ALA 1 19.838 12.524 -5.896 2 H2 ALA 1 HT3 ALA 1 19.561 10.906 -6.391 3 H3 ALA 1 HT2 ALA 1 20.094 12.073 -7.532 4 HA ALA 1 HA ALA 1 18.098 13.214 -7.463 5 HB1 ALA 1 HB1 ALA 1 17.992 10.265 -7.792 6 HB3 ALA 1 HB2 ALA 1 17.742 11.548 -8.976 7 HB2 ALA 1 HB3 ALA 1 16.471 11.158 -7.817 No H/Q in entry = 7 In of MODEL 12 1 HA MET 2 HA MET 2 15.610 13.521 -3.973 2 HB2 MET 2 HB2 MET 2 13.522 13.141 -6.101 3 H MET 2 HN MET 2 15.745 13.094 -6.738 4 HG2 MET 2 HG2 MET 2 14.916 15.320 -5.630 5 HE3 MET 2 HE1 MET 2 15.047 14.951 -2.171 6 HB3 MET 2 HB1 MET 2 13.066 13.338 -4.414 7 HE2 MET 2 HE2 MET 2 15.405 16.660 -2.413 8 HE1 MET 2 HE3 MET 2 15.910 15.474 -3.617 9 HG3 MET 2 HG1 MET 2 13.205 15.387 -6.046 No H/Q in entry = 9 In of MODEL 12 1 HA ASP 3 HA ASP 3 14.899 9.623 -2.288 2 HB2 ASP 3 HB2 ASP 3 14.629 11.072 -0.292 3 H ASP 3 HN ASP 3 14.191 12.375 -2.430 4 HB3 ASP 3 HB1 ASP 3 12.898 11.152 -0.609 No H/Q in entry = 4 In of MODEL 12 1 HA CYS 4 HA CYS 4 11.366 8.711 -4.910 2 HB2 CYS 4 HB2 CYS 4 13.421 7.574 -6.010 3 H CYS 4 HN CYS 4 14.016 8.526 -4.024 4 HB3 CYS 4 HB1 CYS 4 12.944 6.159 -5.078 No H/Q in entry = 4 In of MODEL 12 1 HA THR 5 HA THR 5 9.321 6.231 -1.999 2 HB THR 5 HB THR 5 7.422 7.223 -3.040 3 HG1 THR 5 HG1 THR 5 6.938 4.433 -3.050 4 HG23 THR 5 HG21 THR 5 7.225 7.112 -5.247 5 HG22 THR 5 HG22 THR 5 6.469 5.540 -4.986 6 HG21 THR 5 HG23 THR 5 8.193 5.641 -5.346 7 H THR 5 HN THR 5 9.715 6.976 -4.780 No H/Q in entry = 7 In of MODEL 12 1 HA THR 6 HA THR 6 9.362 1.916 -3.061 2 HB THR 6 HB THR 6 11.256 1.806 -0.784 3 HG1 THR 6 HG1 THR 6 11.826 3.806 -1.469 4 HG21 THR 6 HG21 THR 6 11.160 0.806 -3.586 5 HG23 THR 6 HG22 THR 6 11.448 -0.071 -2.084 6 HG22 THR 6 HG23 THR 6 12.711 0.957 -2.761 7 H THR 6 HN THR 6 9.136 4.162 -1.224 No H/Q in entry = 7 In of MODEL 12 1 HA3 GLY 7 HA2 GLY 7 8.443 -1.072 0.323 2 H GLY 7 HN GLY 7 8.949 -0.152 -2.033 3 HA2 GLY 7 HA1 GLY 7 7.208 0.178 0.317 No H/Q in entry = 3 In of MODEL 12 1 HA PRO 8 HA PRO 8 5.375 -3.718 -1.452 2 HB2 PRO 8 HB2 PRO 8 3.290 -3.936 0.235 3 HG2 PRO 8 HG2 PRO 8 3.574 -2.002 1.486 4 HD2 PRO 8 HD2 PRO 8 5.539 -0.818 1.435 5 HB3 PRO 8 HB1 PRO 8 4.895 -4.553 0.645 6 HG3 PRO 8 HG1 PRO 8 4.528 -3.140 2.455 7 HD3 PRO 8 HD1 PRO 8 6.525 -2.260 1.747 No H/Q in entry = 7 In of MODEL 12 1 HA CYS 9 HA CYS 9 1.626 -1.066 -2.224 2 HB2 CYS 9 HB2 CYS 9 1.662 0.008 0.262 3 H CYS 9 HN CYS 9 3.742 -0.796 -0.263 4 HB3 CYS 9 HB1 CYS 9 1.882 1.460 -0.708 No H/Q in entry = 4 In of MODEL 12 1 HA CYS 10 HA CYS 10 3.422 1.229 -5.395 2 HB2 CYS 10 HB2 CYS 10 5.651 2.337 -5.075 3 H CYS 10 HN CYS 10 3.757 -0.980 -3.727 4 HB3 CYS 10 HB1 CYS 10 4.520 2.584 -3.749 No H/Q in entry = 4 In of MODEL 12 1 HA ARG 11 HA ARG 11 6.134 -1.460 -7.563 2 HB2 ARG 11 HB2 ARG 11 3.895 -0.440 -9.236 3 HG2 ARG 11 HG2 ARG 11 4.827 -3.272 -9.024 4 HD2 ARG 11 HD2 ARG 11 2.130 -3.277 -8.924 5 HE ARG 11 HE ARG 11 3.992 -3.636 -11.082 6 HH11 ARG 11 HH11 ARG 11 0.620 -3.635 -10.185 7 HH12 ARG 11 HH12 ARG 11 0.143 -4.670 -11.489 8 HH21 ARG 11 HH21 ARG 11 3.368 -4.997 -12.798 9 HH22 ARG 11 HH22 ARG 11 1.703 -5.444 -12.972 10 H ARG 11 HN ARG 11 4.421 0.928 -7.354 11 HB3 ARG 11 HB1 ARG 11 5.228 -1.234 -10.064 12 HG3 ARG 11 HG1 ARG 11 3.886 -2.533 -7.726 13 HD3 ARG 11 HD1 ARG 11 2.411 -1.814 -9.867 No H/Q in entry = 13 In of MODEL 12 1 HA GLN 12 HA GLN 12 9.770 -0.493 -9.878 2 HB2 GLN 12 HB2 GLN 12 7.670 1.424 -10.880 3 HG2 GLN 12 HG2 GLN 12 9.240 -0.547 -12.495 4 HE21 GLN 12 HE21 GLN 12 6.130 -1.070 -13.034 5 HE22 GLN 12 HE22 GLN 12 5.820 0.058 -14.305 6 H GLN 12 HN GLN 12 7.951 -1.393 -8.861 7 HB3 GLN 12 HB1 GLN 12 9.351 1.506 -11.387 8 HG3 GLN 12 HG1 GLN 12 7.753 -1.012 -11.669 No H/Q in entry = 8 In of MODEL 12 1 HA CYS 13 HA CYS 13 9.594 3.219 -6.962 2 HB2 CYS 13 HB2 CYS 13 11.108 3.509 -9.201 3 H CYS 13 HN CYS 13 8.130 2.589 -9.328 4 HB3 CYS 13 HB1 CYS 13 10.378 5.108 -9.092 No H/Q in entry = 4 In of MODEL 12 1 HA LYS 14 HA LYS 14 6.253 6.031 -7.166 2 HB2 LYS 14 HB2 LYS 14 6.146 5.454 -9.721 3 HG2 LYS 14 HG2 LYS 14 3.879 6.825 -8.294 4 HD2 LYS 14 HD2 LYS 14 4.400 6.335 -11.147 5 HE2 LYS 14 HE2 LYS 14 3.159 8.683 -11.435 6 HZ1 LYS 14 HZ1 LYS 14 5.959 7.902 -11.581 7 HZ3 LYS 14 HZ2 LYS 14 5.641 9.562 -11.637 8 HZ2 LYS 14 HZ3 LYS 14 4.945 8.530 -12.781 9 H LYS 14 HN LYS 14 6.874 3.243 -7.751 10 HB3 LYS 14 HB1 LYS 14 4.633 4.671 -9.286 11 HG3 LYS 14 HG1 LYS 14 5.346 7.572 -8.928 12 HD3 LYS 14 HD1 LYS 14 2.893 6.730 -10.319 13 HE3 LYS 14 HE1 LYS 14 4.156 9.066 -10.032 No H/Q in entry = 13 In of MODEL 12 1 HA LEU 15 HA LEU 15 3.507 4.179 -4.397 2 HB2 LEU 15 HB2 LEU 15 1.887 5.701 -3.491 3 HG LEU 15 HG LEU 15 2.216 7.194 -6.047 4 HD11 LEU 15 HD11 LEU 15 -0.016 6.454 -4.190 5 HD13 LEU 15 HD12 LEU 15 0.192 6.052 -5.895 6 HD12 LEU 15 HD13 LEU 15 -0.222 7.700 -5.422 7 HD23 LEU 15 HD21 LEU 15 1.417 8.592 -3.506 8 HD22 LEU 15 HD22 LEU 15 1.679 9.294 -5.103 9 HD21 LEU 15 HD23 LEU 15 3.046 8.676 -4.176 10 H LEU 15 HN LEU 15 4.398 6.315 -5.972 11 HB3 LEU 15 HB1 LEU 15 3.392 6.564 -3.746 No H/Q in entry = 11 In of MODEL 12 1 HA LYS 16 HA LYS 16 0.308 2.595 -6.855 2 HB2 LYS 16 HB2 LYS 16 0.048 1.505 -4.100 3 HG2 LYS 16 HG2 LYS 16 0.093 0.009 -6.699 4 HD2 LYS 16 HD2 LYS 16 1.399 -0.920 -4.206 5 HE2 LYS 16 HE2 LYS 16 -0.414 -2.382 -6.106 6 HZ3 LYS 16 HZ1 LYS 16 1.140 -4.228 -5.387 7 HZ2 LYS 16 HZ2 LYS 16 0.027 -3.685 -4.235 8 HZ1 LYS 16 HZ3 LYS 16 1.643 -3.196 -4.144 9 H LYS 16 HN LYS 16 1.343 3.285 -4.233 10 HB3 LYS 16 HB1 LYS 16 -1.281 1.208 -5.212 11 HG3 LYS 16 HG1 LYS 16 1.568 0.577 -5.914 12 HD3 LYS 16 HD1 LYS 16 -0.365 -0.926 -4.243 13 HE3 LYS 16 HE1 LYS 16 1.307 -2.157 -6.419 No H/Q in entry = 13 In of MODEL 12 1 HA PRO 17 HA PRO 17 -3.286 5.139 -6.814 2 HB2 PRO 17 HB2 PRO 17 -5.238 3.497 -7.741 3 HG2 PRO 17 HG2 PRO 17 -4.181 1.449 -7.458 4 HD2 PRO 17 HD2 PRO 17 -1.909 1.289 -7.110 5 HB3 PRO 17 HB1 PRO 17 -3.948 4.130 -8.770 6 HG3 PRO 17 HG1 PRO 17 -3.653 1.847 -9.104 7 HD3 PRO 17 HD1 PRO 17 -1.531 2.431 -8.416 No H/Q in entry = 7 In of MODEL 12 1 HA ALA 18 HA ALA 18 -5.251 4.609 -2.987 2 HB2 ALA 18 HB1 ALA 18 -6.898 6.240 -2.564 3 HB3 ALA 18 HB2 ALA 18 -7.315 6.377 -4.272 4 HB1 ALA 18 HB3 ALA 18 -5.768 6.992 -3.689 5 H ALA 18 HN ALA 18 -4.949 5.769 -5.510 No H/Q in entry = 5 In of MODEL 12 1 HA3 GLY 19 HA2 GLY 19 -8.442 1.693 -2.497 2 H GLY 19 HN GLY 19 -6.029 2.622 -2.655 3 HA2 GLY 19 HA1 GLY 19 -8.325 1.712 -4.250 No H/Q in entry = 3 In of MODEL 12 1 HA THR 20 HA THR 20 -5.679 -1.775 -4.403 2 HB THR 20 HB THR 20 -3.071 -0.488 -3.658 3 HG1 THR 20 HG1 THR 20 -4.472 -0.185 -6.102 4 HG21 THR 20 HG21 THR 20 -3.873 -2.645 -5.585 5 HG23 THR 20 HG22 THR 20 -2.831 -2.777 -4.167 6 HG22 THR 20 HG23 THR 20 -2.281 -1.887 -5.586 7 H THR 20 HN THR 20 -5.434 0.995 -4.106 No H/Q in entry = 7 In of MODEL 12 1 HA THR 21 HA THR 21 -4.975 -2.969 -0.259 2 HB THR 21 HB THR 21 -4.945 -5.640 -0.361 3 HG1 THR 21 HG1 THR 21 -6.085 -4.913 -2.849 4 HG22 THR 21 HG21 THR 21 -7.421 -5.618 -0.642 5 HG21 THR 21 HG22 THR 21 -7.305 -3.893 -0.993 6 HG23 THR 21 HG23 THR 21 -6.805 -4.509 0.582 7 H THR 21 HN THR 21 -4.713 -3.488 -3.137 No H/Q in entry = 7 In of MODEL 12 1 HA CYS 22 HA CYS 22 -0.680 -3.365 0.189 2 HB2 CYS 22 HB2 CYS 22 -1.826 -3.877 2.937 3 H CYS 22 HN CYS 22 -3.320 -3.275 1.120 4 HB3 CYS 22 HB1 CYS 22 -0.100 -3.773 2.610 No H/Q in entry = 4 In of MODEL 12 1 HA TRP 23 HA TRP 23 -0.677 -7.874 0.795 2 HB2 TRP 23 HB2 TRP 23 0.382 -7.382 3.026 3 HD1 TRP 23 HD1 TRP 23 0.383 -9.751 0.751 4 HE1 TRP 23 HE1 TRP 23 1.140 -12.099 1.486 5 HE3 TRP 23 HE3 TRP 23 -0.338 -9.296 5.793 6 HZ2 TRP 23 HZ2 TRP 23 1.397 -13.564 3.885 7 HZ3 TRP 23 HZ3 TRP 23 0.187 -11.217 7.237 8 HH2 TRP 23 HH2 TRP 23 1.036 -13.307 6.302 9 H TRP 23 HN TRP 23 -2.059 -5.807 2.377 10 HB3 TRP 23 HB1 TRP 23 -1.103 -7.944 3.787 No H/Q in entry = 10 In of MODEL 12 1 HA ARG 24 HA ARG 24 -4.712 -9.587 1.053 2 HB2 ARG 24 HB2 ARG 24 -3.847 -10.456 -1.701 3 HG2 ARG 24 HG2 ARG 24 -4.940 -7.788 -0.852 4 HD2 ARG 24 HD2 ARG 24 -5.292 -9.301 -3.350 5 HE ARG 24 HE ARG 24 -3.789 -6.956 -3.535 6 HH11 ARG 24 HH11 ARG 24 -6.712 -8.323 -4.864 7 HH12 ARG 24 HH12 ARG 24 -6.590 -7.453 -6.356 8 HH21 ARG 24 HH21 ARG 24 -3.626 -5.811 -5.497 9 HH22 ARG 24 HH22 ARG 24 -4.838 -6.027 -6.716 10 H ARG 24 HN ARG 24 -2.051 -9.226 -0.132 11 HB3 ARG 24 HB1 ARG 24 -5.485 -10.237 -1.100 12 HG3 ARG 24 HG1 ARG 24 -3.458 -8.118 -1.751 13 HD3 ARG 24 HD1 ARG 24 -6.250 -7.983 -2.676 No H/Q in entry = 13 In of MODEL 12 1 HA THR 25 HA THR 25 -3.724 -13.844 1.423 2 HB THR 25 HB THR 25 -3.531 -14.232 4.042 3 HG1 THR 25 HG1 THR 25 -4.210 -12.311 4.811 4 HG21 THR 25 HG21 THR 25 -1.664 -14.247 2.359 5 HG23 THR 25 HG22 THR 25 -1.231 -13.726 3.988 6 HG22 THR 25 HG23 THR 25 -1.449 -12.532 2.708 7 H THR 25 HN THR 25 -4.916 -11.310 2.311 No H/Q in entry = 7 In of MODEL 12 1 HA SER 26 HA SER 26 -8.570 -13.502 1.359 2 HB2 SER 26 HB2 SER 26 -7.153 -15.995 2.315 3 HG SER 26 HG SER 26 -8.646 -15.913 -0.015 4 H SER 26 HN SER 26 -6.416 -12.803 1.152 5 HB3 SER 26 HB1 SER 26 -8.901 -15.907 2.092 No H/Q in entry = 5 In of MODEL 12 1 HA VAL 27 HA VAL 27 -9.382 -12.133 5.420 2 HB VAL 27 HB VAL 27 -8.342 -14.243 6.123 3 H VAL 27 HN VAL 27 -7.328 -12.030 3.525 No H/Q in entry = 3 In of MODEL 12 1 HA SER 28 HA SER 28 -6.079 -9.093 6.621 2 HB2 SER 28 HB2 SER 28 -3.855 -10.077 4.816 3 HG SER 28 HG SER 28 -4.494 -11.475 6.605 4 H SER 28 HN SER 28 -5.991 -11.385 4.839 5 HB3 SER 28 HB1 SER 28 -3.711 -8.810 6.033 No H/Q in entry = 5 In of MODEL 12 1 HA SER 29 HA SER 29 -5.478 -6.093 3.300 2 HB2 SER 29 HB2 SER 29 -7.654 -5.536 2.603 3 HG SER 29 HG SER 29 -9.444 -5.933 4.170 4 H SER 29 HN SER 29 -5.767 -6.940 5.959 5 HB3 SER 29 HB1 SER 29 -7.836 -7.148 3.294 No H/Q in entry = 5 In of MODEL 12 1 HA HIS 30 HA HIS 30 -5.214 -2.610 5.981 2 HB2 HIS 30 HB2 HIS 30 -2.613 -3.075 4.592 3 HD1 HIS 30 HD1 HIS 30 -0.769 -2.467 6.802 4 HD2 HIS 30 HD2 HIS 30 -4.513 -4.131 7.497 5 HE1 HIS 30 HE1 HIS 30 -0.603 -3.580 9.051 6 HE2 HIS 30 HE2 HIS 30 -2.906 -4.505 9.489 7 H HIS 30 HN HIS 30 -4.346 -4.327 3.770 8 HB3 HIS 30 HB1 HIS 30 -2.895 -1.502 5.331 No H/Q in entry = 8 In of MODEL 12 1 HA TYR 31 HA TYR 31 -5.301 -1.199 0.868 2 HB2 TYR 31 HB2 TYR 31 -7.023 0.212 2.905 3 HD1 TYR 31 HD1 TYR 31 -7.779 -2.156 0.139 4 HD2 TYR 31 HD2 TYR 31 -8.067 -1.342 4.305 5 HE1 TYR 31 HE1 TYR 31 -9.248 -4.110 0.413 6 HE2 TYR 31 HE2 TYR 31 -9.535 -3.293 4.591 7 HH TYR 31 HH TYR 31 -11.073 -4.817 2.112 8 H TYR 31 HN TYR 31 -4.716 -2.646 2.522 9 HB3 TYR 31 HB1 TYR 31 -7.252 0.136 1.161 No H/Q in entry = 9 In of MODEL 12 1 HA CYS 32 HA CYS 32 -3.238 2.572 1.838 2 HB2 CYS 32 HB2 CYS 32 -2.872 1.686 -0.976 3 H CYS 32 HN CYS 32 -4.932 0.942 0.059 4 HB3 CYS 32 HB1 CYS 32 -2.342 3.316 -0.575 No H/Q in entry = 4 In of MODEL 12 1 HA THR 33 HA THR 33 -5.971 5.801 0.930 2 HB THR 33 HB THR 33 -4.896 6.667 2.924 3 HG1 THR 33 HG1 THR 33 -4.994 8.660 0.910 4 HG23 THR 33 HG21 THR 33 -2.802 7.380 3.088 5 HG22 THR 33 HG22 THR 33 -2.931 8.362 1.629 6 HG21 THR 33 HG23 THR 33 -2.547 6.645 1.505 7 H THR 33 HN THR 33 -3.369 4.828 1.661 No H/Q in entry = 7 In of MODEL 12 1 HA3 GLY 34 HA2 GLY 34 -2.454 6.143 -2.799 2 H GLY 34 HN GLY 34 -2.758 5.881 -0.439 3 HA2 GLY 34 HA1 GLY 34 -3.888 7.159 -2.834 No H/Q in entry = 3 In of MODEL 12 1 HA ARG 35 HA ARG 35 -0.696 10.118 -1.635 2 HB2 ARG 35 HB2 ARG 35 -1.867 9.849 0.766 3 HG2 ARG 35 HG2 ARG 35 0.114 11.847 -0.199 4 HD2 ARG 35 HD2 ARG 35 -1.271 12.467 2.328 5 HE ARG 35 HE ARG 35 0.995 13.448 0.932 6 HH11 ARG 35 HH11 ARG 35 -0.294 13.025 4.147 7 HH12 ARG 35 HH12 ARG 35 0.599 14.350 4.815 8 HH21 ARG 35 HH21 ARG 35 2.171 15.190 1.808 9 HH22 ARG 35 HH22 ARG 35 1.998 15.580 3.487 10 H ARG 35 HN ARG 35 -1.462 7.570 -0.372 11 HB3 ARG 35 HB1 ARG 35 -0.188 9.678 1.255 12 HG3 ARG 35 HG1 ARG 35 -1.609 12.034 0.136 13 HD3 ARG 35 HD1 ARG 35 0.080 11.341 2.449 No H/Q in entry = 13 In of MODEL 12 1 HA SER 36 HA SER 36 3.079 7.601 -1.254 2 HB2 SER 36 HB2 SER 36 4.340 7.440 0.817 3 HG SER 36 HG SER 36 2.500 7.931 2.645 4 H SER 36 HN SER 36 0.473 7.214 -0.066 5 HB3 SER 36 HB1 SER 36 3.249 8.822 0.908 No H/Q in entry = 5 In of MODEL 12 1 HA CYS 37 HA CYS 37 3.092 3.288 -1.199 2 HB2 CYS 37 HB2 CYS 37 5.315 3.691 -2.153 3 H CYS 37 HN CYS 37 4.548 5.684 -0.613 4 HB3 CYS 37 HB1 CYS 37 6.017 3.690 -0.539 No H/Q in entry = 4 In of MODEL 12 1 HA GLU 38 HA GLU 38 4.626 2.519 3.328 2 HB2 GLU 38 HB2 GLU 38 3.880 5.343 4.110 3 HG2 GLU 38 HG2 GLU 38 6.639 4.256 4.347 4 H GLU 38 HN GLU 38 4.458 4.748 1.656 5 HB3 GLU 38 HB1 GLU 38 4.507 4.100 5.184 6 HG3 GLU 38 HG1 GLU 38 6.098 4.899 2.797 No H/Q in entry = 6 In of MODEL 12 1 HA CYS 39 HA CYS 39 0.305 1.592 3.327 2 HB2 CYS 39 HB2 CYS 39 1.890 -0.599 4.621 3 H CYS 39 HN CYS 39 3.044 1.098 3.650 4 HB3 CYS 39 HB1 CYS 39 0.138 -0.573 4.791 No H/Q in entry = 4 In of MODEL 12 1 HA PRO 40 HA PRO 40 -0.889 3.542 7.101 2 HB2 PRO 40 HB2 PRO 40 -3.452 2.687 7.334 3 HG2 PRO 40 HG2 PRO 40 -3.416 0.943 5.801 4 HD2 PRO 40 HD2 PRO 40 -1.735 0.731 4.239 5 HB3 PRO 40 HB1 PRO 40 -2.947 3.881 6.133 6 HG3 PRO 40 HG1 PRO 40 -3.899 2.280 4.740 7 HD3 PRO 40 HD1 PRO 40 -1.808 2.445 3.785 No H/Q in entry = 7 In of MODEL 12 1 HA SER 41 HA SER 41 -1.361 0.265 10.084 2 HB2 SER 41 HB2 SER 41 -0.892 2.859 11.568 3 HG SER 41 HG SER 41 1.246 1.459 11.596 4 H SER 41 HN SER 41 -2.072 2.994 9.235 5 HB3 SER 41 HB1 SER 41 -0.736 1.264 12.304 No H/Q in entry = 5 In of MODEL 12 1 HA TYR 42 HA TYR 42 -5.493 0.301 11.442 2 HB2 TYR 42 HB2 TYR 42 -5.021 2.958 11.545 3 HD1 TYR 42 HD1 TYR 42 -5.149 1.945 13.832 4 HD2 TYR 42 HD2 TYR 42 -8.603 2.541 11.421 5 HE1 TYR 42 HE1 TYR 42 -6.572 1.722 15.825 6 HE2 TYR 42 HE2 TYR 42 -10.036 2.322 13.407 7 HH TYR 42 HH TYR 42 -8.770 2.321 16.596 8 H TYR 42 HN TYR 42 -3.925 1.176 9.217 9 HB3 TYR 42 HB1 TYR 42 -6.449 2.948 10.517 No H/Q in entry = 9 In of MODEL 12 1 HA PRO 43 HA PRO 43 -7.237 -0.764 7.320 2 HB2 PRO 43 HB2 PRO 43 -8.095 -3.231 8.062 3 HG2 PRO 43 HG2 PRO 43 -7.522 -3.172 10.311 4 HD2 PRO 43 HD2 PRO 43 -6.062 -1.601 11.156 5 HB3 PRO 43 HB1 PRO 43 -6.440 -2.908 7.532 6 HG3 PRO 43 HG1 PRO 43 -6.026 -3.833 9.626 7 HD3 PRO 43 HD1 PRO 43 -4.898 -1.832 9.836 No H/Q in entry = 7 In of MODEL 12 1 HA3 GLY 44 HA2 GLY 44 -10.657 -0.333 11.335 2 H GLY 44 HN GLY 44 -8.570 -0.920 10.558 3 HA2 GLY 44 HA1 GLY 44 -11.030 0.251 9.720 No H/Q in entry = 3 In of MODEL 12 1 HA ASN 45 HA ASN 45 -13.324 -3.534 9.908 2 HB2 ASN 45 HB2 ASN 45 -15.729 -3.199 10.302 3 HD21 ASN 45 HD21 ASN 45 -14.479 -0.079 11.305 4 HD22 ASN 45 HD22 ASN 45 -15.692 0.868 10.519 5 H ASN 45 HN ASN 45 -13.136 -0.603 9.856 6 HB3 ASN 45 HB1 ASN 45 -14.758 -2.370 11.515 No H/Q in entry = 6 In of MODEL 12 1 HA3 GLY 46 HA2 GLY 46 -15.223 -2.866 5.884 2 H GLY 46 HN GLY 46 -15.505 -4.121 8.533 3 HA2 GLY 46 HA1 GLY 46 -15.092 -4.612 6.041 No H/Q in entry = 3 In of MODEL 13 1 H1 ALA 1 HT1 ALA 1 19.924 8.827 -4.815 2 H2 ALA 1 HT3 ALA 1 20.487 8.298 -6.345 3 H3 ALA 1 HT2 ALA 1 21.462 9.333 -5.383 4 HA ALA 1 HA ALA 1 20.156 11.138 -5.735 5 HB3 ALA 1 HB1 ALA 1 19.650 10.979 -8.294 6 HB1 ALA 1 HB2 ALA 1 20.500 9.439 -8.162 7 HB2 ALA 1 HB3 ALA 1 21.314 10.936 -7.710 No H/Q in entry = 7 In of MODEL 13 1 HA MET 2 HA MET 2 15.942 9.652 -7.378 2 HB2 MET 2 HB2 MET 2 15.013 7.377 -7.631 3 H MET 2 HN MET 2 18.434 8.368 -7.180 4 HG2 MET 2 HG2 MET 2 17.063 5.654 -7.833 5 HE2 MET 2 HE1 MET 2 17.374 3.963 -5.167 6 HB3 MET 2 HB1 MET 2 16.426 7.640 -8.643 7 HE1 MET 2 HE2 MET 2 16.843 3.493 -6.782 8 HE3 MET 2 HE3 MET 2 15.867 3.071 -5.375 9 HG3 MET 2 HG1 MET 2 17.594 6.606 -6.448 No H/Q in entry = 9 In of MODEL 13 1 HA ASP 3 HA ASP 3 14.215 8.353 -3.480 2 HB2 ASP 3 HB2 ASP 3 13.765 10.498 -2.262 3 H ASP 3 HN ASP 3 14.141 9.667 -6.063 4 HB3 ASP 3 HB1 ASP 3 15.395 10.370 -2.915 No H/Q in entry = 4 In of MODEL 13 1 HA CYS 4 HA CYS 4 9.915 8.962 -4.035 2 HB2 CYS 4 HB2 CYS 4 8.952 6.962 -5.310 3 H CYS 4 HN CYS 4 12.317 7.332 -3.616 4 HB3 CYS 4 HB1 CYS 4 10.123 7.963 -6.161 No H/Q in entry = 4 In of MODEL 13 1 HA THR 5 HA THR 5 8.247 6.948 -0.627 2 HB THR 5 HB THR 5 5.733 6.277 -2.049 3 HG1 THR 5 HG1 THR 5 5.339 8.215 -2.736 4 HG22 THR 5 HG21 THR 5 4.758 7.563 -0.146 5 HG21 THR 5 HG22 THR 5 6.393 7.729 0.495 6 HG23 THR 5 HG23 THR 5 5.675 6.128 0.315 7 H THR 5 HN THR 5 7.937 7.910 -3.238 No H/Q in entry = 7 In of MODEL 13 1 HA THR 6 HA THR 6 8.444 2.686 -1.627 2 HB THR 6 HB THR 6 9.716 1.651 0.457 3 HG1 THR 6 HG1 THR 6 10.333 4.406 0.688 4 HG23 THR 6 HG21 THR 6 10.978 1.666 -1.452 5 HG22 THR 6 HG22 THR 6 11.870 2.801 -0.439 6 HG21 THR 6 HG23 THR 6 10.789 3.402 -1.696 7 H THR 6 HN THR 6 8.442 4.966 0.231 No H/Q in entry = 7 In of MODEL 13 1 HA3 GLY 7 HA2 GLY 7 6.535 -0.196 1.479 2 H GLY 7 HN GLY 7 7.786 0.574 -0.672 3 HA2 GLY 7 HA1 GLY 7 5.349 0.972 0.916 No H/Q in entry = 3 In of MODEL 13 1 HA PRO 8 HA PRO 8 4.883 -3.510 -0.886 2 HB2 PRO 8 HB2 PRO 8 2.290 -3.154 0.541 3 HG2 PRO 8 HG2 PRO 8 3.238 -3.295 2.662 4 HD2 PRO 8 HD2 PRO 8 3.853 -1.148 2.087 5 HB3 PRO 8 HB1 PRO 8 3.278 -4.606 0.347 6 HG3 PRO 8 HG1 PRO 8 4.743 -3.996 2.039 7 HD3 PRO 8 HD1 PRO 8 5.481 -1.827 2.288 No H/Q in entry = 7 In of MODEL 13 1 HA CYS 9 HA CYS 9 1.110 -1.300 -2.745 2 HB2 CYS 9 HB2 CYS 9 0.480 0.185 -0.803 3 H CYS 9 HN CYS 9 2.741 -0.723 -0.487 4 HB3 CYS 9 HB1 CYS 9 1.557 1.405 -1.475 No H/Q in entry = 4 In of MODEL 13 1 HA CYS 10 HA CYS 10 3.976 1.758 -4.890 2 HB2 CYS 10 HB2 CYS 10 5.723 1.942 -2.500 3 H CYS 10 HN CYS 10 3.981 0.685 -2.229 4 HB3 CYS 10 HB1 CYS 10 6.495 2.219 -4.057 No H/Q in entry = 4 In of MODEL 13 1 HA ARG 11 HA ARG 11 6.343 -1.590 -6.433 2 HB2 ARG 11 HB2 ARG 11 4.254 -1.624 -7.773 3 HG2 ARG 11 HG2 ARG 11 5.367 -2.364 -10.007 4 HD2 ARG 11 HD2 ARG 11 6.431 -4.350 -8.547 5 HE ARG 11 HE ARG 11 3.605 -4.505 -8.383 6 HH11 ARG 11 HH11 ARG 11 6.225 -4.308 -10.680 7 HH12 ARG 11 HH12 ARG 11 5.349 -5.114 -11.937 8 HH21 ARG 11 HH21 ARG 11 2.452 -5.565 -10.036 9 HH22 ARG 11 HH22 ARG 11 3.207 -5.828 -11.572 10 H ARG 11 HN ARG 11 4.845 0.924 -6.680 11 HB3 ARG 11 HB1 ARG 11 4.956 -0.431 -8.857 12 HG3 ARG 11 HG1 ARG 11 6.866 -2.201 -9.090 13 HD3 ARG 11 HD1 ARG 11 5.405 -3.600 -7.325 No H/Q in entry = 13 In of MODEL 13 1 HA GLN 12 HA GLN 12 10.551 -0.808 -7.267 2 HB2 GLN 12 HB2 GLN 12 8.869 -0.248 -9.636 3 HG2 GLN 12 HG2 GLN 12 10.827 -1.447 -10.740 4 HE21 GLN 12 HE21 GLN 12 8.893 -2.376 -11.459 5 HE22 GLN 12 HE22 GLN 12 8.203 -3.753 -10.677 6 H GLN 12 HN GLN 12 8.471 -1.423 -6.591 7 HB3 GLN 12 HB1 GLN 12 10.441 0.538 -9.605 8 HG3 GLN 12 HG1 GLN 12 11.387 -1.781 -9.102 No H/Q in entry = 8 In of MODEL 13 1 HA CYS 13 HA CYS 13 9.567 3.705 -6.593 2 HB2 CYS 13 HB2 CYS 13 11.667 3.514 -7.940 3 H CYS 13 HN CYS 13 8.855 1.919 -8.743 4 HB3 CYS 13 HB1 CYS 13 10.788 4.156 -9.323 No H/Q in entry = 4 In of MODEL 13 1 HA LYS 14 HA LYS 14 6.196 5.938 -8.063 2 HB2 LYS 14 HB2 LYS 14 5.905 3.413 -9.596 3 HG2 LYS 14 HG2 LYS 14 6.336 6.282 -10.170 4 HD2 LYS 14 HD2 LYS 14 4.534 4.543 -11.722 5 HE2 LYS 14 HE2 LYS 14 6.198 6.409 -13.322 6 HZ1 LYS 14 HZ1 LYS 14 4.146 4.875 -13.956 7 HZ3 LYS 14 HZ2 LYS 14 5.391 3.769 -14.248 8 HZ2 LYS 14 HZ3 LYS 14 5.372 5.253 -15.058 9 H LYS 14 HN LYS 14 7.139 3.543 -6.880 10 HB3 LYS 14 HB1 LYS 14 4.495 4.460 -9.523 11 HG3 LYS 14 HG1 LYS 14 7.085 4.853 -10.886 12 HD3 LYS 14 HD1 LYS 14 4.638 6.303 -11.658 13 HE3 LYS 14 HE1 LYS 14 6.876 4.828 -12.936 No H/Q in entry = 13 In of MODEL 13 1 HA LEU 15 HA LEU 15 3.089 4.855 -5.226 2 HB2 LEU 15 HB2 LEU 15 3.292 7.471 -5.464 3 HG LEU 15 HG LEU 15 2.204 6.085 -3.528 4 HD12 LEU 15 HD11 LEU 15 1.086 8.813 -3.587 5 HD11 LEU 15 HD12 LEU 15 2.825 8.676 -3.845 6 HD13 LEU 15 HD13 LEU 15 2.098 8.022 -2.378 7 HD21 LEU 15 HD21 LEU 15 -0.166 7.116 -5.057 8 HD23 LEU 15 HD22 LEU 15 -0.235 6.786 -3.325 9 HD22 LEU 15 HD23 LEU 15 0.133 5.484 -4.457 10 H LEU 15 HN LEU 15 4.038 6.411 -7.493 11 HB3 LEU 15 HB1 LEU 15 1.714 7.314 -6.212 No H/Q in entry = 11 In of MODEL 13 1 HA LYS 16 HA LYS 16 0.273 2.781 -7.869 2 HB2 LYS 16 HB2 LYS 16 0.731 1.383 -5.590 3 HG2 LYS 16 HG2 LYS 16 -1.628 0.433 -7.086 4 HD2 LYS 16 HD2 LYS 16 0.101 -0.778 -5.465 5 HE2 LYS 16 HE2 LYS 16 1.902 -0.172 -7.267 6 HZ2 LYS 16 HZ1 LYS 16 1.018 -1.087 -9.201 7 HZ1 LYS 16 HZ2 LYS 16 0.530 -2.514 -8.434 8 HZ3 LYS 16 HZ3 LYS 16 2.173 -2.225 -8.715 9 H LYS 16 HN LYS 16 1.620 3.318 -5.466 10 HB3 LYS 16 HB1 LYS 16 -0.971 1.774 -5.385 11 HG3 LYS 16 HG1 LYS 16 -0.156 0.709 -8.020 12 HD3 LYS 16 HD1 LYS 16 -0.672 -1.611 -6.816 13 HE3 LYS 16 HE1 LYS 16 1.924 -1.743 -6.466 No H/Q in entry = 13 In of MODEL 13 1 HA PRO 17 HA PRO 17 -3.228 5.442 -8.041 2 HB2 PRO 17 HB2 PRO 17 -4.828 2.971 -8.511 3 HG2 PRO 17 HG2 PRO 17 -3.527 2.260 -10.306 4 HD2 PRO 17 HD2 PRO 17 -2.142 1.696 -8.550 5 HB3 PRO 17 HB1 PRO 17 -4.756 4.462 -9.458 6 HG3 PRO 17 HG1 PRO 17 -2.779 3.855 -10.509 7 HD3 PRO 17 HD1 PRO 17 -1.054 2.836 -9.369 No H/Q in entry = 7 In of MODEL 13 1 HA ALA 18 HA ALA 18 -4.942 5.254 -4.061 2 HB3 ALA 18 HB1 ALA 18 -6.711 7.154 -5.584 3 HB1 ALA 18 HB2 ALA 18 -5.399 7.548 -4.473 4 HB2 ALA 18 HB3 ALA 18 -6.889 6.832 -3.860 5 H ALA 18 HN ALA 18 -4.784 6.210 -6.685 No H/Q in entry = 5 In of MODEL 13 1 HA3 GLY 19 HA2 GLY 19 -8.107 2.468 -2.820 2 H GLY 19 HN GLY 19 -5.997 3.581 -3.227 3 HA2 GLY 19 HA1 GLY 19 -8.508 2.721 -4.512 No H/Q in entry = 3 In of MODEL 13 1 HA THR 20 HA THR 20 -5.877 -0.930 -4.820 2 HB THR 20 HB THR 20 -3.180 0.293 -4.231 3 HG1 THR 20 HG1 THR 20 -3.268 1.302 -6.105 4 HG23 THR 20 HG21 THR 20 -2.243 -1.427 -5.276 5 HG22 THR 20 HG22 THR 20 -3.454 -1.422 -6.558 6 HG21 THR 20 HG23 THR 20 -3.782 -2.254 -5.038 7 H THR 20 HN THR 20 -5.338 1.654 -3.527 No H/Q in entry = 7 In of MODEL 13 1 HA THR 21 HA THR 21 -5.458 -2.894 -0.991 2 HB THR 21 HB THR 21 -4.809 -5.429 -1.539 3 HG1 THR 21 HG1 THR 21 -4.466 -5.520 -3.624 4 HG23 THR 21 HG21 THR 21 -7.107 -5.973 -1.810 5 HG22 THR 21 HG22 THR 21 -7.486 -4.343 -2.365 6 HG21 THR 21 HG23 THR 21 -7.001 -4.615 -0.691 7 H THR 21 HN THR 21 -5.352 -2.858 -3.832 No H/Q in entry = 7 In of MODEL 13 1 HA CYS 22 HA CYS 22 -1.219 -2.425 -0.172 2 HB2 CYS 22 HB2 CYS 22 -2.641 -2.332 2.114 3 H CYS 22 HN CYS 22 -3.878 -3.014 0.486 4 HB3 CYS 22 HB1 CYS 22 -1.724 -3.807 2.403 No H/Q in entry = 4 In of MODEL 13 1 HA TRP 23 HA TRP 23 -0.796 -6.998 -0.645 2 HB2 TRP 23 HB2 TRP 23 0.245 -6.377 1.717 3 HD1 TRP 23 HD1 TRP 23 1.703 -7.181 -0.735 4 HE1 TRP 23 HE1 TRP 23 3.217 -9.256 -0.899 5 HE3 TRP 23 HE3 TRP 23 -0.201 -9.886 3.163 6 HZ2 TRP 23 HZ2 TRP 23 3.559 -11.714 0.446 7 HZ3 TRP 23 HZ3 TRP 23 0.775 -12.090 3.658 8 HH2 TRP 23 HH2 TRP 23 2.616 -12.984 2.325 9 H TRP 23 HN TRP 23 -2.652 -5.485 0.961 10 HB3 TRP 23 HB1 TRP 23 -0.742 -7.735 2.247 No H/Q in entry = 10 In of MODEL 13 1 HA ARG 24 HA ARG 24 -4.902 -8.850 -0.045 2 HB2 ARG 24 HB2 ARG 24 -5.184 -7.809 -2.313 3 HG2 ARG 24 HG2 ARG 24 -6.217 -10.483 -1.604 4 HD2 ARG 24 HD2 ARG 24 -7.151 -9.397 -4.190 5 HE ARG 24 HE ARG 24 -6.725 -12.192 -4.007 6 HH11 ARG 24 HH11 ARG 24 -8.788 -9.641 -2.819 7 HH12 ARG 24 HH12 ARG 24 -10.142 -10.688 -2.555 8 HH21 ARG 24 HH21 ARG 24 -8.504 -13.571 -3.662 9 HH22 ARG 24 HH22 ARG 24 -9.981 -12.919 -3.033 10 H ARG 24 HN ARG 24 -2.889 -7.551 -1.536 11 HB3 ARG 24 HB1 ARG 24 -4.326 -9.186 -2.992 12 HG3 ARG 24 HG1 ARG 24 -7.080 -8.986 -1.960 13 HD3 ARG 24 HD1 ARG 24 -5.596 -10.227 -4.196 No H/Q in entry = 13 In of MODEL 13 1 HA THR 25 HA THR 25 -3.787 -13.082 -0.555 2 HB THR 25 HB THR 25 -2.460 -13.693 1.563 3 HG1 THR 25 HG1 THR 25 -2.191 -12.206 3.023 4 HG21 THR 25 HG21 THR 25 -1.595 -12.666 -0.723 5 HG23 THR 25 HG22 THR 25 -0.529 -12.953 0.653 6 HG22 THR 25 HG23 THR 25 -1.159 -11.334 0.348 7 H THR 25 HN THR 25 -4.990 -10.836 0.763 No H/Q in entry = 7 In of MODEL 13 1 HA SER 26 HA SER 26 -6.995 -13.544 2.987 2 HB2 SER 26 HB2 SER 26 -6.591 -15.811 3.900 3 HG SER 26 HG SER 26 -4.523 -16.711 3.650 4 H SER 26 HN SER 26 -4.380 -12.554 2.890 5 HB3 SER 26 HB1 SER 26 -6.036 -15.659 2.233 No H/Q in entry = 5 In of MODEL 13 1 HA VAL 27 HA VAL 27 -5.052 -13.278 7.249 2 HB VAL 27 HB VAL 27 -2.759 -12.811 8.030 3 H VAL 27 HN VAL 27 -3.880 -13.392 4.622 No H/Q in entry = 3 In of MODEL 13 1 HA SER 28 HA SER 28 -4.570 -8.786 6.687 2 HB2 SER 28 HB2 SER 28 -2.165 -9.047 5.707 3 HG SER 28 HG SER 28 -2.034 -6.752 5.541 4 H SER 28 HN SER 28 -3.887 -10.996 4.862 5 HB3 SER 28 HB1 SER 28 -2.888 -8.419 4.226 No H/Q in entry = 5 In of MODEL 13 1 HA SER 29 HA SER 29 -6.455 -7.043 2.840 2 HB2 SER 29 HB2 SER 29 -7.961 -8.256 4.664 3 HG SER 29 HG SER 29 -8.481 -7.858 2.418 4 H SER 29 HN SER 29 -5.145 -6.729 5.316 5 HB3 SER 29 HB1 SER 29 -8.505 -6.605 4.965 No H/Q in entry = 5 In of MODEL 13 1 HA HIS 30 HA HIS 30 -5.995 -2.841 4.891 2 HB2 HIS 30 HB2 HIS 30 -3.185 -3.352 3.906 3 HD1 HIS 30 HD1 HIS 30 -2.337 -1.614 6.553 4 HD2 HIS 30 HD2 HIS 30 -4.549 -5.127 6.367 5 HE1 HIS 30 HE1 HIS 30 -2.089 -2.685 8.814 6 HE2 HIS 30 HE2 HIS 30 -3.365 -4.851 8.650 7 H HIS 30 HN HIS 30 -4.665 -5.221 4.096 8 HB3 HIS 30 HB1 HIS 30 -3.743 -1.779 4.465 No H/Q in entry = 8 In of MODEL 13 1 HA TYR 31 HA TYR 31 -5.634 -1.132 0.698 2 HB2 TYR 31 HB2 TYR 31 -7.459 0.451 2.501 3 HD1 TYR 31 HD1 TYR 31 -9.079 -1.010 3.252 4 HD2 TYR 31 HD2 TYR 31 -7.630 -1.426 -0.727 5 HE1 TYR 31 HE1 TYR 31 -10.715 -2.801 2.850 6 HE2 TYR 31 HE2 TYR 31 -9.263 -3.217 -1.140 7 HH TYR 31 HH TYR 31 -10.717 -4.922 1.048 8 H TYR 31 HN TYR 31 -5.191 -0.744 3.553 9 HB3 TYR 31 HB1 TYR 31 -7.360 0.757 0.771 No H/Q in entry = 9 In of MODEL 13 1 HA CYS 32 HA CYS 32 -2.821 2.157 0.611 2 HB2 CYS 32 HB2 CYS 32 -3.091 1.055 -1.837 3 H CYS 32 HN CYS 32 -4.892 0.570 -0.592 4 HB3 CYS 32 HB1 CYS 32 -3.628 2.694 -2.189 No H/Q in entry = 4 In of MODEL 13 1 HA THR 33 HA THR 33 -5.203 5.836 0.484 2 HB THR 33 HB THR 33 -3.549 7.818 0.966 3 HG1 THR 33 HG1 THR 33 -1.851 5.589 1.377 4 HG23 THR 33 HG21 THR 33 -3.825 7.431 3.150 5 HG22 THR 33 HG22 THR 33 -3.151 5.804 3.054 6 HG21 THR 33 HG23 THR 33 -4.830 6.091 2.599 7 H THR 33 HN THR 33 -2.640 4.529 -0.126 No H/Q in entry = 7 In of MODEL 13 1 HA3 GLY 34 HA2 GLY 34 -2.736 6.974 -3.754 2 H GLY 34 HN GLY 34 -2.200 6.773 -1.206 3 HA2 GLY 34 HA1 GLY 34 -3.843 8.207 -3.169 No H/Q in entry = 3 In of MODEL 13 1 HA ARG 35 HA ARG 35 -0.329 10.772 -2.734 2 HB2 ARG 35 HB2 ARG 35 -1.618 11.139 -0.067 3 HG2 ARG 35 HG2 ARG 35 -1.798 13.504 -0.978 4 HD2 ARG 35 HD2 ARG 35 -3.193 11.095 -2.021 5 HE ARG 35 HE ARG 35 -3.795 12.245 -3.896 6 HH11 ARG 35 HH11 ARG 35 -3.649 14.487 -1.226 7 HH12 ARG 35 HH12 ARG 35 -4.289 15.811 -2.140 8 HH21 ARG 35 HH21 ARG 35 -4.637 13.985 -5.100 9 HH22 ARG 35 HH22 ARG 35 -4.851 15.526 -4.340 10 H ARG 35 HN ARG 35 -2.143 9.193 -1.080 11 HB3 ARG 35 HB1 ARG 35 -0.119 11.996 -0.397 12 HG3 ARG 35 HG1 ARG 35 -1.261 12.831 -2.518 13 HD3 ARG 35 HD1 ARG 35 -3.815 12.427 -1.048 No H/Q in entry = 13 In of MODEL 13 1 HA SER 36 HA SER 36 2.640 8.450 -0.232 2 HB2 SER 36 HB2 SER 36 0.886 8.204 2.220 3 HG SER 36 HG SER 36 1.471 10.333 1.537 4 H SER 36 HN SER 36 -0.302 8.461 -0.116 5 HB3 SER 36 HB1 SER 36 2.607 7.817 2.206 No H/Q in entry = 5 In of MODEL 13 1 HA CYS 37 HA CYS 37 1.798 4.097 -0.064 2 HB2 CYS 37 HB2 CYS 37 4.630 4.747 -0.684 3 H CYS 37 HN CYS 37 3.496 6.342 0.810 4 HB3 CYS 37 HB1 CYS 37 4.246 3.053 -0.401 No H/Q in entry = 4 In of MODEL 13 1 HA GLU 38 HA GLU 38 3.573 3.172 4.039 2 HB2 GLU 38 HB2 GLU 38 3.306 4.593 6.016 3 HG2 GLU 38 HG2 GLU 38 1.397 6.010 4.316 4 H GLU 38 HN GLU 38 2.120 5.272 2.606 5 HB3 GLU 38 HB1 GLU 38 4.046 5.482 4.692 6 HG3 GLU 38 HG1 GLU 38 1.512 5.922 6.073 No H/Q in entry = 6 In of MODEL 13 1 HA CYS 39 HA CYS 39 -0.446 1.297 4.340 2 HB2 CYS 39 HB2 CYS 39 1.485 -0.566 4.113 3 H CYS 39 HN CYS 39 2.339 1.396 4.226 4 HB3 CYS 39 HB1 CYS 39 1.042 -0.811 5.799 No H/Q in entry = 4 In of MODEL 13 1 HA PRO 40 HA PRO 40 -0.969 3.190 8.419 2 HB2 PRO 40 HB2 PRO 40 -3.713 2.142 7.916 3 HG2 PRO 40 HG2 PRO 40 -4.002 3.347 5.945 4 HD2 PRO 40 HD2 PRO 40 -2.622 1.656 5.196 5 HB3 PRO 40 HB1 PRO 40 -3.202 3.747 8.450 6 HG3 PRO 40 HG1 PRO 40 -2.643 4.428 6.303 7 HD3 PRO 40 HD1 PRO 40 -1.561 3.030 4.823 No H/Q in entry = 7 In of MODEL 13 1 HA SER 41 HA SER 41 -1.589 -0.493 10.756 2 HB2 SER 41 HB2 SER 41 -0.060 1.170 11.997 3 HG SER 41 HG SER 41 -0.295 -1.074 12.556 4 H SER 41 HN SER 41 -2.021 2.408 10.487 5 HB3 SER 41 HB1 SER 41 -1.454 1.474 13.034 No H/Q in entry = 5 In of MODEL 13 1 HA TYR 42 HA TYR 42 -5.812 -0.554 11.843 2 HB2 TYR 42 HB2 TYR 42 -5.613 2.411 11.747 3 HD1 TYR 42 HD1 TYR 42 -4.177 2.474 13.627 4 HD2 TYR 42 HD2 TYR 42 -7.789 0.233 13.801 5 HE1 TYR 42 HE1 TYR 42 -3.884 2.201 16.053 6 HE2 TYR 42 HE2 TYR 42 -7.506 -0.046 16.227 7 HH TYR 42 HH TYR 42 -6.362 1.026 18.084 8 H TYR 42 HN TYR 42 -4.086 0.760 9.958 9 HB3 TYR 42 HB1 TYR 42 -7.228 1.719 11.858 No H/Q in entry = 9 In of MODEL 13 1 HA PRO 43 HA PRO 43 -7.103 -0.978 7.423 2 HB2 PRO 43 HB2 PRO 43 -8.527 -3.217 8.774 3 HG2 PRO 43 HG2 PRO 43 -6.574 -4.289 9.449 4 HD2 PRO 43 HD2 PRO 43 -6.646 -2.571 10.988 5 HB3 PRO 43 HB1 PRO 43 -7.625 -3.212 7.254 6 HG3 PRO 43 HG1 PRO 43 -5.570 -3.362 8.319 7 HD3 PRO 43 HD1 PRO 43 -5.095 -2.160 10.228 No H/Q in entry = 7 In of MODEL 13 1 HA3 GLY 44 HA2 GLY 44 -11.025 0.232 10.092 2 H GLY 44 HN GLY 44 -9.339 -1.902 10.026 3 HA2 GLY 44 HA1 GLY 44 -11.558 -0.659 8.674 No H/Q in entry = 3 In of MODEL 13 1 HA ASN 45 HA ASN 45 -13.527 -2.764 12.075 2 HB2 ASN 45 HB2 ASN 45 -14.939 -0.486 11.851 3 HD21 ASN 45 HD21 ASN 45 -17.514 -2.306 12.562 4 HD22 ASN 45 HD22 ASN 45 -17.225 -2.616 14.236 5 H ASN 45 HN ASN 45 -13.587 -0.864 9.846 6 HB3 ASN 45 HB1 ASN 45 -16.100 -1.609 11.151 No H/Q in entry = 6 In of MODEL 13 1 HA3 GLY 46 HA2 GLY 46 -14.704 -5.873 9.257 2 H GLY 46 HN GLY 46 -12.972 -3.597 9.344 3 HA2 GLY 46 HA1 GLY 46 -15.052 -4.742 7.958 No H/Q in entry = 3 In of MODEL 14 1 H1 ALA 1 HT1 ALA 1 18.483 14.849 -4.536 2 H2 ALA 1 HT3 ALA 1 17.494 16.024 -3.775 3 H3 ALA 1 HT2 ALA 1 18.053 14.668 -2.884 4 HA ALA 1 HA ALA 1 15.907 14.147 -3.346 5 HB2 ALA 1 HB1 ALA 1 15.766 16.072 -5.035 6 HB3 ALA 1 HB2 ALA 1 14.742 14.661 -5.300 7 HB1 ALA 1 HB3 ALA 1 16.221 14.867 -6.239 No H/Q in entry = 7 In of MODEL 14 1 HA MET 2 HA MET 2 17.162 10.430 -5.268 2 HB2 MET 2 HB2 MET 2 18.834 9.128 -3.896 3 H MET 2 HN MET 2 16.660 12.092 -2.903 4 HG2 MET 2 HG2 MET 2 18.457 11.464 -2.074 5 HE3 MET 2 HE1 MET 2 21.526 12.704 -0.913 6 HB3 MET 2 HB1 MET 2 19.352 10.733 -4.393 7 HE2 MET 2 HE2 MET 2 20.777 11.588 0.228 8 HE1 MET 2 HE3 MET 2 19.769 12.581 -0.824 9 HG3 MET 2 HG1 MET 2 18.583 9.751 -1.682 No H/Q in entry = 9 In of MODEL 14 1 HA ASP 3 HA ASP 3 14.455 8.199 -2.475 2 HB2 ASP 3 HB2 ASP 3 13.132 10.826 -1.801 3 H ASP 3 HN ASP 3 14.786 10.878 -3.657 4 HB3 ASP 3 HB1 ASP 3 12.501 9.278 -1.246 No H/Q in entry = 4 In of MODEL 14 1 HA CYS 4 HA CYS 4 11.382 8.031 -5.627 2 HB2 CYS 4 HB2 CYS 4 13.572 6.680 -6.447 3 H CYS 4 HN CYS 4 13.545 6.931 -3.968 4 HB3 CYS 4 HB1 CYS 4 12.462 5.334 -6.213 No H/Q in entry = 4 In of MODEL 14 1 HA THR 5 HA THR 5 8.445 5.811 -3.366 2 HB THR 5 HB THR 5 6.369 5.386 -4.786 3 HG1 THR 5 HG1 THR 5 6.839 5.429 -6.839 4 HG21 THR 5 HG21 THR 5 7.521 8.119 -4.418 5 HG23 THR 5 HG22 THR 5 6.225 7.325 -3.525 6 HG22 THR 5 HG23 THR 5 5.947 7.880 -5.176 7 H THR 5 HN THR 5 9.370 7.110 -5.670 No H/Q in entry = 7 In of MODEL 14 1 HA THR 6 HA THR 6 8.528 1.604 -4.541 2 HB THR 6 HB THR 6 10.767 2.013 -5.236 3 HG1 THR 6 HG1 THR 6 10.944 0.038 -3.214 4 HG23 THR 6 HG21 THR 6 12.477 2.758 -4.001 5 HG22 THR 6 HG22 THR 6 12.051 1.757 -2.613 6 HG21 THR 6 HG23 THR 6 11.205 3.278 -2.897 7 H THR 6 HN THR 6 9.063 3.834 -2.775 No H/Q in entry = 7 In of MODEL 14 1 HA3 GLY 7 HA2 GLY 7 8.719 -1.330 -1.152 2 H GLY 7 HN GLY 7 7.988 -0.226 -3.445 3 HA2 GLY 7 HA1 GLY 7 7.789 0.031 -0.544 No H/Q in entry = 3 In of MODEL 14 1 HA PRO 8 HA PRO 8 4.819 -3.501 -0.669 2 HB2 PRO 8 HB2 PRO 8 3.370 -1.440 0.926 3 HG2 PRO 8 HG2 PRO 8 4.951 -1.400 2.635 4 HD2 PRO 8 HD2 PRO 8 6.063 -0.176 1.027 5 HB3 PRO 8 HB1 PRO 8 3.553 -3.173 1.226 6 HG3 PRO 8 HG1 PRO 8 5.683 -2.929 2.113 7 HD3 PRO 8 HD1 PRO 8 7.234 -1.501 1.183 No H/Q in entry = 7 In of MODEL 14 1 HA CYS 9 HA CYS 9 1.822 -0.797 -2.827 2 HB2 CYS 9 HB2 CYS 9 1.105 0.378 -0.619 3 H CYS 9 HN CYS 9 3.628 -0.133 -0.620 4 HB3 CYS 9 HB1 CYS 9 1.811 1.817 -1.347 No H/Q in entry = 4 In of MODEL 14 1 HA CYS 10 HA CYS 10 4.441 1.579 -5.385 2 HB2 CYS 10 HB2 CYS 10 6.533 1.584 -3.208 3 H CYS 10 HN CYS 10 4.609 -0.499 -3.366 4 HB3 CYS 10 HB1 CYS 10 6.722 2.460 -4.723 No H/Q in entry = 4 In of MODEL 14 1 HA ARG 11 HA ARG 11 6.997 -1.535 -7.121 2 HB2 ARG 11 HB2 ARG 11 4.820 -0.711 -8.978 3 HG2 ARG 11 HG2 ARG 11 5.721 -3.232 -7.667 4 HD2 ARG 11 HD2 ARG 11 3.791 -3.146 -9.977 5 HE ARG 11 HE ARG 11 4.002 -5.060 -8.078 6 HH11 ARG 11 HH11 ARG 11 4.763 -4.977 -11.483 7 HH12 ARG 11 HH12 ARG 11 4.448 -6.663 -11.721 8 HH21 ARG 11 HH21 ARG 11 3.588 -7.277 -8.390 9 HH22 ARG 11 HH22 ARG 11 3.781 -7.969 -9.966 10 H ARG 11 HN ARG 11 5.166 0.760 -7.228 11 HB3 ARG 11 HB1 ARG 11 6.179 -1.596 -9.657 12 HG3 ARG 11 HG1 ARG 11 4.119 -2.490 -7.703 13 HD3 ARG 11 HD1 ARG 11 5.466 -3.675 -10.123 No H/Q in entry = 13 In of MODEL 14 1 HA GLN 12 HA GLN 12 10.951 -0.111 -8.289 2 HB2 GLN 12 HB2 GLN 12 9.037 0.012 -10.544 3 HG2 GLN 12 HG2 GLN 12 11.828 -1.037 -10.184 4 HE21 GLN 12 HE21 GLN 12 12.957 -0.453 -11.931 5 HE22 GLN 12 HE22 GLN 12 12.457 -0.713 -13.564 6 H GLN 12 HN GLN 12 9.054 -1.003 -7.413 7 HB3 GLN 12 HB1 GLN 12 10.467 1.026 -10.685 8 HG3 GLN 12 HG1 GLN 12 10.339 -1.959 -10.389 No H/Q in entry = 8 In of MODEL 14 1 HA CYS 13 HA CYS 13 9.439 4.237 -7.832 2 HB2 CYS 13 HB2 CYS 13 10.363 4.222 -10.667 3 H CYS 13 HN CYS 13 8.735 2.199 -9.786 4 HB3 CYS 13 HB1 CYS 13 9.874 5.762 -9.968 No H/Q in entry = 4 In of MODEL 14 1 HA LYS 14 HA LYS 14 5.385 5.224 -9.212 2 HB2 LYS 14 HB2 LYS 14 5.098 2.417 -10.282 3 HG2 LYS 14 HG2 LYS 14 5.737 5.058 -11.479 4 HD2 LYS 14 HD2 LYS 14 4.427 2.853 -13.055 5 HE2 LYS 14 HE2 LYS 14 4.274 4.600 -14.782 6 HZ2 LYS 14 HZ1 LYS 14 6.613 4.672 -15.350 7 HZ1 LYS 14 HZ2 LYS 14 6.199 3.133 -14.786 8 HZ3 LYS 14 HZ3 LYS 14 7.042 4.202 -13.782 9 H LYS 14 HN LYS 14 6.995 2.903 -8.428 10 HB3 LYS 14 HB1 LYS 14 3.813 3.614 -10.384 11 HG3 LYS 14 HG1 LYS 14 6.388 3.460 -11.847 12 HD3 LYS 14 HD1 LYS 14 3.563 4.285 -12.491 13 HE3 LYS 14 HE1 LYS 14 5.152 5.702 -13.723 No H/Q in entry = 13 In of MODEL 14 1 HA LEU 15 HA LEU 15 3.199 3.707 -5.747 2 HB2 LEU 15 HB2 LEU 15 3.546 6.306 -5.598 3 HG LEU 15 HG LEU 15 2.707 4.598 -3.739 4 HD12 LEU 15 HD11 LEU 15 2.362 6.695 -2.265 5 HD11 LEU 15 HD12 LEU 15 2.791 7.588 -3.724 6 HD13 LEU 15 HD13 LEU 15 3.929 6.432 -3.031 7 HD23 LEU 15 HD21 LEU 15 0.536 5.720 -2.841 8 HD22 LEU 15 HD22 LEU 15 0.429 4.470 -4.080 9 HD21 LEU 15 HD23 LEU 15 0.293 6.170 -4.529 10 H LEU 15 HN LEU 15 3.611 5.555 -7.980 11 HB3 LEU 15 HB1 LEU 15 1.835 6.357 -5.977 No H/Q in entry = 11 In of MODEL 14 1 HA LYS 16 HA LYS 16 -0.341 2.176 -7.797 2 HB2 LYS 16 HB2 LYS 16 -0.013 0.920 -5.120 3 HG2 LYS 16 HG2 LYS 16 -0.833 -0.627 -7.490 4 HD2 LYS 16 HD2 LYS 16 1.188 -0.897 -5.280 5 HE2 LYS 16 HE2 LYS 16 1.839 -1.794 -7.668 6 HZ2 LYS 16 HZ1 LYS 16 -0.083 -3.047 -8.169 7 HZ1 LYS 16 HZ2 LYS 16 -0.080 -3.817 -6.663 8 HZ3 LYS 16 HZ3 LYS 16 1.125 -4.171 -7.795 9 H LYS 16 HN LYS 16 1.525 2.368 -5.711 10 HB3 LYS 16 HB1 LYS 16 -1.587 0.779 -5.891 11 HG3 LYS 16 HG1 LYS 16 0.757 0.134 -7.565 12 HD3 LYS 16 HD1 LYS 16 -0.263 -1.862 -5.559 13 HE3 LYS 16 HE1 LYS 16 2.129 -2.755 -6.218 No H/Q in entry = 13 In of MODEL 14 1 HA PRO 17 HA PRO 17 -3.517 5.121 -7.022 2 HB2 PRO 17 HB2 PRO 17 -5.421 2.842 -7.289 3 HG2 PRO 17 HG2 PRO 17 -4.609 2.179 -9.367 4 HD2 PRO 17 HD2 PRO 17 -2.944 1.354 -8.000 5 HB3 PRO 17 HB1 PRO 17 -5.402 4.397 -8.129 6 HG3 PRO 17 HG1 PRO 17 -3.765 3.718 -9.626 7 HD3 PRO 17 HD1 PRO 17 -1.948 2.466 -8.961 No H/Q in entry = 7 In of MODEL 14 1 HA ALA 18 HA ALA 18 -4.356 4.719 -2.783 2 HB1 ALA 18 HB1 ALA 18 -4.930 7.193 -3.576 3 HB2 ALA 18 HB2 ALA 18 -5.290 6.615 -1.950 4 HB3 ALA 18 HB3 ALA 18 -6.561 6.660 -3.171 5 H ALA 18 HN ALA 18 -4.652 5.901 -5.305 No H/Q in entry = 5 In of MODEL 14 1 HA3 GLY 19 HA2 GLY 19 -7.575 2.156 -1.373 2 H GLY 19 HN GLY 19 -5.255 2.830 -2.241 3 HA2 GLY 19 HA1 GLY 19 -8.039 2.316 -3.060 No H/Q in entry = 3 In of MODEL 14 1 HA THR 20 HA THR 20 -6.156 -1.448 -4.239 2 HB THR 20 HB THR 20 -3.423 -0.200 -4.590 3 HG1 THR 20 HG1 THR 20 -4.054 0.321 -6.580 4 HG23 THR 20 HG21 THR 20 -2.976 -2.453 -4.730 5 HG22 THR 20 HG22 THR 20 -3.327 -2.033 -6.407 6 HG21 THR 20 HG23 THR 20 -4.553 -2.831 -5.422 7 H THR 20 HN THR 20 -5.441 1.248 -3.984 No H/Q in entry = 7 In of MODEL 14 1 HA THR 21 HA THR 21 -4.661 -3.040 -0.492 2 HB THR 21 HB THR 21 -5.051 -5.385 -0.307 3 HG1 THR 21 HG1 THR 21 -4.922 -5.414 -3.135 4 HG23 THR 21 HG21 THR 21 -7.250 -5.729 -1.249 5 HG22 THR 21 HG22 THR 21 -7.022 -4.357 -2.333 6 HG21 THR 21 HG23 THR 21 -7.109 -4.099 -0.590 7 H THR 21 HN THR 21 -5.533 -3.298 -3.207 No H/Q in entry = 7 In of MODEL 14 1 HA CYS 22 HA CYS 22 -0.457 -3.405 -1.851 2 HB2 CYS 22 HB2 CYS 22 1.005 -2.338 -0.118 3 H CYS 22 HN CYS 22 -2.584 -2.509 -0.163 4 HB3 CYS 22 HB1 CYS 22 -0.230 -1.269 -0.775 No H/Q in entry = 4 In of MODEL 14 1 HA TRP 23 HA TRP 23 -0.102 -6.815 1.096 2 HB2 TRP 23 HB2 TRP 23 0.660 -5.191 2.847 3 HD1 TRP 23 HD1 TRP 23 1.994 -7.719 2.493 4 HE1 TRP 23 HE1 TRP 23 2.281 -9.547 4.282 5 HE3 TRP 23 HE3 TRP 23 -1.797 -6.372 5.648 6 HZ2 TRP 23 HZ2 TRP 23 1.063 -10.316 6.709 7 HZ3 TRP 23 HZ3 TRP 23 -2.170 -7.707 7.681 8 HH2 TRP 23 HH2 TRP 23 -0.769 -9.638 8.199 9 H TRP 23 HN TRP 23 -1.868 -4.469 1.163 10 HB3 TRP 23 HB1 TRP 23 -0.901 -5.385 3.639 No H/Q in entry = 10 In of MODEL 14 1 HA ARG 24 HA ARG 24 -3.716 -8.898 2.483 2 HB2 ARG 24 HB2 ARG 24 -4.995 -9.678 0.525 3 HG2 ARG 24 HG2 ARG 24 -3.135 -8.388 -1.372 4 HD2 ARG 24 HD2 ARG 24 -4.947 -10.796 -1.480 5 HE ARG 24 HE ARG 24 -3.777 -11.223 -3.387 6 HH11 ARG 24 HH11 ARG 24 -4.070 -7.764 -3.034 7 HH12 ARG 24 HH12 ARG 24 -3.350 -7.420 -4.571 8 HH21 ARG 24 HH21 ARG 24 -2.829 -10.774 -5.409 9 HH22 ARG 24 HH22 ARG 24 -2.645 -9.129 -5.920 10 H ARG 24 HN ARG 24 -1.253 -8.614 0.963 11 HB3 ARG 24 HB1 ARG 24 -4.521 -7.992 0.376 12 HG3 ARG 24 HG1 ARG 24 -2.707 -10.006 -0.809 13 HD3 ARG 24 HD1 ARG 24 -5.303 -9.187 -2.109 No H/Q in entry = 13 In of MODEL 14 1 HA THR 25 HA THR 25 -2.890 -13.246 1.268 2 HB THR 25 HB THR 25 -2.696 -14.133 3.787 3 HG1 THR 25 HG1 THR 25 -2.381 -11.331 4.051 4 HG21 THR 25 HG21 THR 25 -0.884 -13.385 1.963 5 HG23 THR 25 HG22 THR 25 -0.475 -13.856 3.613 6 HG22 THR 25 HG23 THR 25 -0.608 -12.149 3.191 7 H THR 25 HN THR 25 -4.605 -11.189 2.191 No H/Q in entry = 7 In of MODEL 14 1 HA SER 26 HA SER 26 -7.318 -14.103 2.401 2 HB2 SER 26 HB2 SER 26 -5.777 -15.117 4.740 3 HG SER 26 HG SER 26 -7.116 -16.935 3.299 4 H SER 26 HN SER 26 -5.422 -12.363 3.561 5 HB3 SER 26 HB1 SER 26 -7.511 -15.438 4.702 No H/Q in entry = 5 In of MODEL 14 1 HA VAL 27 HA VAL 27 -9.394 -12.018 5.883 2 HB VAL 27 HB VAL 27 -7.637 -12.722 8.235 3 H VAL 27 HN VAL 27 -6.840 -13.431 5.840 No H/Q in entry = 3 In of MODEL 14 1 HA SER 28 HA SER 28 -6.421 -8.721 7.235 2 HB2 SER 28 HB2 SER 28 -4.107 -8.626 7.702 3 HG SER 28 HG SER 28 -3.156 -9.352 5.861 4 H SER 28 HN SER 28 -5.973 -11.446 6.313 5 HB3 SER 28 HB1 SER 28 -4.576 -10.274 8.118 No H/Q in entry = 5 In of MODEL 14 1 HA SER 29 HA SER 29 -5.202 -7.133 3.326 2 HB2 SER 29 HB2 SER 29 -7.807 -7.841 3.297 3 HG SER 29 HG SER 29 -7.195 -6.169 1.207 4 H SER 29 HN SER 29 -6.695 -7.115 5.848 5 HB3 SER 29 HB1 SER 29 -7.972 -6.090 3.165 No H/Q in entry = 5 In of MODEL 14 1 HA HIS 30 HA HIS 30 -5.040 -2.945 4.653 2 HB2 HIS 30 HB2 HIS 30 -2.196 -3.762 4.030 3 HD1 HIS 30 HD1 HIS 30 -0.811 -3.622 6.457 4 HD2 HIS 30 HD2 HIS 30 -4.872 -4.496 6.537 5 HE1 HIS 30 HE1 HIS 30 -1.223 -4.698 8.692 6 HE2 HIS 30 HE2 HIS 30 -3.703 -5.139 8.753 7 H HIS 30 HN HIS 30 -3.988 -5.368 3.362 8 HB3 HIS 30 HB1 HIS 30 -2.656 -2.211 4.723 No H/Q in entry = 8 In of MODEL 14 1 HA TYR 31 HA TYR 31 -5.083 -1.389 0.555 2 HB2 TYR 31 HB2 TYR 31 -6.781 0.612 2.052 3 HD1 TYR 31 HD1 TYR 31 -8.232 -0.541 3.480 4 HD2 TYR 31 HD2 TYR 31 -7.560 -2.024 -0.451 5 HE1 TYR 31 HE1 TYR 31 -10.032 -2.186 3.800 6 HE2 TYR 31 HE2 TYR 31 -9.358 -3.673 -0.142 7 HH TYR 31 HH TYR 31 -11.513 -3.782 1.391 8 H TYR 31 HN TYR 31 -5.699 -1.347 3.390 9 HB3 TYR 31 HB1 TYR 31 -6.784 0.289 0.321 No H/Q in entry = 9 In of MODEL 14 1 HA CYS 32 HA CYS 32 -2.291 1.917 0.749 2 HB2 CYS 32 HB2 CYS 32 -2.916 1.413 -1.827 3 H CYS 32 HN CYS 32 -4.699 0.857 -0.469 4 HB3 CYS 32 HB1 CYS 32 -3.339 3.120 -1.748 No H/Q in entry = 4 In of MODEL 14 1 HA THR 33 HA THR 33 -4.302 5.667 1.765 2 HB THR 33 HB THR 33 -2.419 5.824 3.182 3 HG1 THR 33 HG1 THR 33 -2.059 8.032 3.249 4 HG21 THR 33 HG21 THR 33 -0.824 6.717 0.795 5 HG23 THR 33 HG22 THR 33 -0.629 5.222 1.709 6 HG22 THR 33 HG23 THR 33 -0.258 6.772 2.465 7 H THR 33 HN THR 33 -1.985 4.386 0.497 No H/Q in entry = 7 In of MODEL 14 1 HA3 GLY 34 HA2 GLY 34 -2.487 7.076 -2.893 2 H GLY 34 HN GLY 34 -1.891 6.115 -0.785 3 HA2 GLY 34 HA1 GLY 34 -3.742 7.998 -2.079 No H/Q in entry = 3 In of MODEL 14 1 HA ARG 35 HA ARG 35 0.357 10.254 -1.997 2 HB2 ARG 35 HB2 ARG 35 -0.549 9.962 0.819 3 HG2 ARG 35 HG2 ARG 35 -1.848 11.355 -0.672 4 HD2 ARG 35 HD2 ARG 35 0.808 12.432 -1.342 5 HE ARG 35 HE ARG 35 0.217 14.579 -0.873 6 HH11 ARG 35 HH11 ARG 35 -2.640 12.863 -1.909 7 HH12 ARG 35 HH12 ARG 35 -3.645 14.273 -1.893 8 HH21 ARG 35 HH21 ARG 35 -1.104 16.434 -0.850 9 HH22 ARG 35 HH22 ARG 35 -2.773 16.301 -1.292 10 H ARG 35 HN ARG 35 -0.448 7.711 -0.907 11 HB3 ARG 35 HB1 ARG 35 0.880 10.944 0.531 12 HG3 ARG 35 HG1 ARG 35 -1.086 12.336 0.581 13 HD3 ARG 35 HD1 ARG 35 -0.644 12.296 -2.332 No H/Q in entry = 13 In of MODEL 14 1 HA SER 36 HA SER 36 3.827 7.774 -0.452 2 HB2 SER 36 HB2 SER 36 2.772 7.629 2.376 3 HG SER 36 HG SER 36 3.634 9.545 2.551 4 H SER 36 HN SER 36 1.018 7.759 0.420 5 HB3 SER 36 HB1 SER 36 4.420 7.177 1.941 No H/Q in entry = 5 In of MODEL 14 1 HA CYS 37 HA CYS 37 3.477 3.493 -0.778 2 HB2 CYS 37 HB2 CYS 37 6.200 3.477 0.538 3 H CYS 37 HN CYS 37 4.969 5.712 0.214 4 HB3 CYS 37 HB1 CYS 37 5.525 2.223 -0.497 No H/Q in entry = 4 In of MODEL 14 1 HA GLU 38 HA GLU 38 3.889 2.261 3.836 2 HB2 GLU 38 HB2 GLU 38 5.053 4.481 4.565 3 HG2 GLU 38 HG2 GLU 38 3.239 3.312 6.641 4 H GLU 38 HN GLU 38 4.387 4.636 2.394 5 HB3 GLU 38 HB1 GLU 38 3.427 4.981 5.012 6 HG3 GLU 38 HG1 GLU 38 4.609 2.409 5.997 No H/Q in entry = 6 In of MODEL 14 1 HA CYS 39 HA CYS 39 -0.481 2.558 3.457 2 HB2 CYS 39 HB2 CYS 39 -0.049 -0.308 4.312 3 H CYS 39 HN CYS 39 2.025 1.219 3.984 4 HB3 CYS 39 HB1 CYS 39 -1.475 0.367 3.532 No H/Q in entry = 4 In of MODEL 14 1 HA PRO 40 HA PRO 40 -1.622 3.361 7.643 2 HB2 PRO 40 HB2 PRO 40 -4.325 3.186 7.482 3 HG2 PRO 40 HG2 PRO 40 -4.518 2.129 5.424 4 HD2 PRO 40 HD2 PRO 40 -2.760 2.029 3.937 5 HB3 PRO 40 HB1 PRO 40 -3.410 4.541 6.810 6 HG3 PRO 40 HG1 PRO 40 -4.539 3.826 4.906 7 HD3 PRO 40 HD1 PRO 40 -2.366 3.748 4.138 No H/Q in entry = 7 In of MODEL 14 1 HA SER 41 HA SER 41 -2.871 -0.482 9.366 2 HB2 SER 41 HB2 SER 41 -1.409 0.565 11.044 3 HG SER 41 HG SER 41 -2.500 -1.445 11.533 4 H SER 41 HN SER 41 -2.993 2.455 9.458 5 HB3 SER 41 HB1 SER 41 -2.805 1.368 11.763 No H/Q in entry = 5 In of MODEL 14 1 HA TYR 42 HA TYR 42 -7.202 0.412 10.300 2 HB2 TYR 42 HB2 TYR 42 -6.951 2.416 8.118 3 HD1 TYR 42 HD1 TYR 42 -9.895 2.935 9.874 4 HD2 TYR 42 HD2 TYR 42 -5.675 3.107 10.392 5 HE1 TYR 42 HE1 TYR 42 -10.194 4.508 11.740 6 HE2 TYR 42 HE2 TYR 42 -5.963 4.680 12.260 7 HH TYR 42 HH TYR 42 -8.873 6.263 12.900 8 H TYR 42 HN TYR 42 -5.104 1.032 8.336 9 HB3 TYR 42 HB1 TYR 42 -8.555 1.756 8.419 No H/Q in entry = 9 In of MODEL 14 1 HA PRO 43 HA PRO 43 -7.589 -3.029 7.264 2 HB2 PRO 43 HB2 PRO 43 -8.483 -4.844 9.073 3 HG2 PRO 43 HG2 PRO 43 -8.601 -3.484 10.951 4 HD2 PRO 43 HD2 PRO 43 -7.549 -1.436 11.040 5 HB3 PRO 43 HB1 PRO 43 -6.766 -4.508 8.819 6 HG3 PRO 43 HG1 PRO 43 -6.935 -4.072 11.098 7 HD3 PRO 43 HD1 PRO 43 -6.034 -2.078 10.374 No H/Q in entry = 7 In of MODEL 14 1 HA3 GLY 44 HA2 GLY 44 -11.951 -1.458 7.926 2 H GLY 44 HN GLY 44 -9.792 -1.718 9.654 3 HA2 GLY 44 HA1 GLY 44 -12.144 -3.007 8.731 No H/Q in entry = 3 In of MODEL 14 1 HA ASN 45 HA ASN 45 -13.718 -0.990 12.197 2 HB2 ASN 45 HB2 ASN 45 -14.703 0.790 10.003 3 HD21 ASN 45 HD21 ASN 45 -13.977 1.602 13.313 4 HD22 ASN 45 HD22 ASN 45 -12.466 2.379 12.997 5 H ASN 45 HN ASN 45 -14.129 -2.033 9.561 6 HB3 ASN 45 HB1 ASN 45 -15.363 0.986 11.624 No H/Q in entry = 6 In of MODEL 14 1 HA3 GLY 46 HA2 GLY 46 -18.110 -2.114 11.819 2 H GLY 46 HN GLY 46 -16.435 -0.622 9.928 3 HA2 GLY 46 HA1 GLY 46 -18.690 -1.062 10.538 No H/Q in entry = 3 In of MODEL 15 1 H1 ALA 1 HT3 ALA 1 19.567 9.354 0.847 2 H2 ALA 1 HT2 ALA 1 20.668 8.482 -0.140 3 H3 ALA 1 HT1 ALA 1 21.232 9.311 1.253 4 HA ALA 1 HA ALA 1 20.950 11.356 0.327 5 HB1 ALA 1 HB1 ALA 1 22.638 9.586 -0.788 6 HB3 ALA 1 HB2 ALA 1 22.543 11.280 -1.269 7 HB2 ALA 1 HB3 ALA 1 21.699 10.048 -2.207 No H/Q in entry = 7 In of MODEL 15 1 HA MET 2 HA MET 2 17.752 11.105 -2.920 2 HB2 MET 2 HB2 MET 2 19.362 9.638 -4.453 3 H MET 2 HN MET 2 19.605 9.015 -2.007 4 HG2 MET 2 HG2 MET 2 16.567 9.971 -5.453 5 HE1 MET 2 HE1 MET 2 16.051 9.844 -7.434 6 HB3 MET 2 HB1 MET 2 18.012 8.515 -4.366 7 HE3 MET 2 HE2 MET 2 17.052 8.952 -8.580 8 HE2 MET 2 HE3 MET 2 16.861 10.697 -8.747 9 HG3 MET 2 HG1 MET 2 17.579 11.375 -5.121 No H/Q in entry = 9 In of MODEL 15 1 HA ASP 3 HA ASP 3 14.603 8.132 -1.857 2 HB2 ASP 3 HB2 ASP 3 14.258 10.616 -0.975 3 H ASP 3 HN ASP 3 15.548 10.353 -3.531 4 HB3 ASP 3 HB1 ASP 3 12.889 10.562 -2.080 No H/Q in entry = 4 In of MODEL 15 1 HA CYS 4 HA CYS 4 11.600 7.891 -5.133 2 HB2 CYS 4 HB2 CYS 4 13.715 6.228 -5.328 3 H CYS 4 HN CYS 4 12.818 7.016 -2.633 4 HB3 CYS 4 HB1 CYS 4 12.429 5.046 -5.109 No H/Q in entry = 4 In of MODEL 15 1 HA THR 5 HA THR 5 8.118 6.398 -3.020 2 HB THR 5 HB THR 5 6.148 6.291 -4.563 3 HG1 THR 5 HG1 THR 5 6.443 6.315 -6.632 4 HG21 THR 5 HG21 THR 5 7.340 8.512 -3.600 5 HG23 THR 5 HG22 THR 5 5.826 8.503 -4.504 6 HG22 THR 5 HG23 THR 5 7.344 8.853 -5.330 7 H THR 5 HN THR 5 9.492 7.386 -5.251 No H/Q in entry = 7 In of MODEL 15 1 HA THR 6 HA THR 6 7.954 2.155 -4.001 2 HB THR 6 HB THR 6 10.213 2.171 -4.685 3 HG1 THR 6 HG1 THR 6 10.411 0.154 -4.214 4 HG21 THR 6 HG21 THR 6 10.771 3.078 -1.943 5 HG23 THR 6 HG22 THR 6 11.553 3.499 -3.467 6 HG22 THR 6 HG23 THR 6 11.953 1.983 -2.660 7 H THR 6 HN THR 6 8.919 4.399 -2.396 No H/Q in entry = 7 In of MODEL 15 1 HA3 GLY 7 HA2 GLY 7 7.713 -0.166 -0.225 2 H GLY 7 HN GLY 7 6.965 0.644 -2.805 3 HA2 GLY 7 HA1 GLY 7 6.458 1.053 -0.069 No H/Q in entry = 3 In of MODEL 15 1 HA PRO 8 HA PRO 8 4.212 -2.979 -0.099 2 HB2 PRO 8 HB2 PRO 8 2.120 -1.030 0.748 3 HG2 PRO 8 HG2 PRO 8 3.237 -0.415 2.696 4 HD2 PRO 8 HD2 PRO 8 4.477 0.747 1.138 5 HB3 PRO 8 HB1 PRO 8 2.505 -2.625 1.406 6 HG3 PRO 8 HG1 PRO 8 4.306 -1.829 2.634 7 HD3 PRO 8 HD1 PRO 8 5.779 -0.281 1.772 No H/Q in entry = 7 In of MODEL 15 1 HA CYS 9 HA CYS 9 1.173 -1.179 -3.128 2 HB2 CYS 9 HB2 CYS 9 1.390 1.637 -2.106 3 H CYS 9 HN CYS 9 2.682 0.111 -1.036 4 HB3 CYS 9 HB1 CYS 9 0.579 1.305 -3.633 No H/Q in entry = 4 In of MODEL 15 1 HA CYS 10 HA CYS 10 3.972 1.582 -5.838 2 HB2 CYS 10 HB2 CYS 10 5.985 2.186 -3.662 3 H CYS 10 HN CYS 10 3.610 1.427 -3.068 4 HB3 CYS 10 HB1 CYS 10 6.065 2.752 -5.327 No H/Q in entry = 4 In of MODEL 15 1 HA ARG 11 HA ARG 11 6.953 -1.647 -6.218 2 HB2 ARG 11 HB2 ARG 11 5.225 -1.437 -8.672 3 HG2 ARG 11 HG2 ARG 11 4.467 -2.422 -6.380 4 HD2 ARG 11 HD2 ARG 11 5.421 -4.998 -7.445 5 HE ARG 11 HE ARG 11 4.550 -3.994 -4.920 6 HH11 ARG 11 HH11 ARG 11 6.492 -6.463 -6.440 7 HH12 ARG 11 HH12 ARG 11 6.332 -7.576 -5.123 8 HH21 ARG 11 HH21 ARG 11 4.339 -5.456 -3.186 9 HH22 ARG 11 HH22 ARG 11 5.110 -7.005 -3.275 10 H ARG 11 HN ARG 11 5.435 0.658 -7.247 11 HB3 ARG 11 HB1 ARG 11 6.501 -2.641 -8.551 12 HG3 ARG 11 HG1 ARG 11 4.064 -3.247 -7.887 13 HD3 ARG 11 HD1 ARG 11 6.644 -3.989 -6.673 No H/Q in entry = 13 In of MODEL 15 1 HA GLN 12 HA GLN 12 9.594 -0.023 -9.574 2 HB2 GLN 12 HB2 GLN 12 7.364 0.273 -11.559 3 HG2 GLN 12 HG2 GLN 12 8.790 -1.896 -10.888 4 HE21 GLN 12 HE21 GLN 12 9.626 -0.195 -13.890 5 HE22 GLN 12 HE22 GLN 12 11.280 -0.694 -13.912 6 H GLN 12 HN GLN 12 6.687 -0.112 -9.414 7 HB3 GLN 12 HB1 GLN 12 8.978 0.846 -11.957 8 HG3 GLN 12 HG1 GLN 12 8.110 -1.626 -12.492 No H/Q in entry = 8 In of MODEL 15 1 HA CYS 13 HA CYS 13 9.261 3.856 -7.017 2 HB2 CYS 13 HB2 CYS 13 10.571 3.819 -9.684 3 H CYS 13 HN CYS 13 9.042 1.699 -7.702 4 HB3 CYS 13 HB1 CYS 13 10.213 5.398 -8.993 No H/Q in entry = 4 In of MODEL 15 1 HA LYS 14 HA LYS 14 5.688 5.606 -8.971 2 HB2 LYS 14 HB2 LYS 14 4.874 2.911 -10.070 3 HG2 LYS 14 HG2 LYS 14 6.931 4.061 -11.044 4 HD2 LYS 14 HD2 LYS 14 4.768 6.001 -11.758 5 HE2 LYS 14 HE2 LYS 14 5.799 5.067 -13.861 6 HZ3 LYS 14 HZ1 LYS 14 8.211 6.494 -12.881 7 HZ2 LYS 14 HZ2 LYS 14 8.026 5.745 -14.386 8 HZ1 LYS 14 HZ3 LYS 14 8.062 4.811 -12.976 9 H LYS 14 HN LYS 14 6.745 2.973 -8.186 10 HB3 LYS 14 HB1 LYS 14 4.024 4.416 -10.392 11 HG3 LYS 14 HG1 LYS 14 5.648 3.589 -12.161 12 HD3 LYS 14 HD1 LYS 14 6.410 6.317 -11.192 13 HE3 LYS 14 HE1 LYS 14 5.963 6.807 -13.630 No H/Q in entry = 13 In of MODEL 15 1 HA LEU 15 HA LEU 15 2.671 4.464 -6.007 2 HB2 LEU 15 HB2 LEU 15 3.051 7.121 -6.261 3 HG LEU 15 HG LEU 15 2.592 5.976 -4.109 4 HD11 LEU 15 HD11 LEU 15 1.431 8.599 -4.855 5 HD13 LEU 15 HD12 LEU 15 2.717 8.209 -3.712 6 HD12 LEU 15 HD13 LEU 15 1.031 7.948 -3.266 7 HD23 LEU 15 HD21 LEU 15 0.242 5.821 -3.358 8 HD22 LEU 15 HD22 LEU 15 0.608 4.739 -4.702 9 HD21 LEU 15 HD23 LEU 15 -0.279 6.235 -4.991 10 H LEU 15 HN LEU 15 3.422 5.942 -8.436 11 HB3 LEU 15 HB1 LEU 15 1.343 7.029 -6.648 No H/Q in entry = 11 In of MODEL 15 1 HA LYS 16 HA LYS 16 -0.484 2.795 -8.576 2 HB2 LYS 16 HB2 LYS 16 -0.433 1.536 -5.886 3 HG2 LYS 16 HG2 LYS 16 -0.991 0.019 -8.360 4 HD2 LYS 16 HD2 LYS 16 0.527 -0.321 -5.816 5 HE2 LYS 16 HE2 LYS 16 2.221 -0.984 -7.313 6 HZ1 LYS 16 HZ1 LYS 16 0.044 -2.200 -8.904 7 HZ3 LYS 16 HZ2 LYS 16 1.661 -2.652 -9.111 8 HZ2 LYS 16 HZ3 LYS 16 1.188 -1.053 -9.394 9 H LYS 16 HN LYS 16 1.126 3.011 -6.298 10 HB3 LYS 16 HB1 LYS 16 -1.923 1.385 -6.808 11 HG3 LYS 16 HG1 LYS 16 0.606 0.755 -8.212 12 HD3 LYS 16 HD1 LYS 16 -0.663 -1.386 -6.568 13 HE3 LYS 16 HE1 LYS 16 1.418 -2.470 -6.809 No H/Q in entry = 13 In of MODEL 15 1 HA PRO 17 HA PRO 17 -3.914 5.481 -7.943 2 HB2 PRO 17 HB2 PRO 17 -6.059 3.954 -8.625 3 HG2 PRO 17 HG2 PRO 17 -5.058 1.860 -8.591 4 HD2 PRO 17 HD2 PRO 17 -2.766 1.602 -8.604 5 HB3 PRO 17 HB1 PRO 17 -4.912 4.591 -9.809 6 HG3 PRO 17 HG1 PRO 17 -4.763 2.318 -10.279 7 HD3 PRO 17 HD1 PRO 17 -2.541 2.806 -9.890 No H/Q in entry = 7 In of MODEL 15 1 HA ALA 18 HA ALA 18 -5.337 4.912 -3.892 2 HB1 ALA 18 HB1 ALA 18 -5.818 7.284 -4.232 3 HB2 ALA 18 HB2 ALA 18 -7.082 6.503 -3.281 4 HB3 ALA 18 HB3 ALA 18 -7.357 6.867 -4.985 5 H ALA 18 HN ALA 18 -5.356 6.128 -6.402 No H/Q in entry = 5 In of MODEL 15 1 HA3 GLY 19 HA2 GLY 19 -8.509 2.050 -3.180 2 H GLY 19 HN GLY 19 -6.026 2.847 -3.689 3 HA2 GLY 19 HA1 GLY 19 -8.525 2.014 -4.937 No H/Q in entry = 3 In of MODEL 15 1 HA THR 20 HA THR 20 -5.996 -1.548 -5.174 2 HB THR 20 HB THR 20 -3.254 -0.513 -4.718 3 HG1 THR 20 HG1 THR 20 -4.886 0.336 -6.872 4 HG23 THR 20 HG21 THR 20 -3.255 -2.657 -5.594 5 HG22 THR 20 HG22 THR 20 -2.982 -1.636 -7.006 6 HG21 THR 20 HG23 THR 20 -4.583 -2.311 -6.701 7 H THR 20 HN THR 20 -5.662 1.228 -5.017 No H/Q in entry = 7 In of MODEL 15 1 HA THR 21 HA THR 21 -4.769 -2.613 -1.109 2 HB THR 21 HB THR 21 -4.198 -5.213 -1.169 3 HG1 THR 21 HG1 THR 21 -5.436 -4.790 -3.681 4 HG23 THR 21 HG21 THR 21 -6.245 -4.651 -0.239 5 HG22 THR 21 HG22 THR 21 -6.680 -5.655 -1.622 6 HG21 THR 21 HG23 THR 21 -6.825 -3.901 -1.726 7 H THR 21 HN THR 21 -4.427 -3.091 -3.987 No H/Q in entry = 7 In of MODEL 15 1 HA CYS 22 HA CYS 22 -0.415 -2.517 -0.924 2 HB2 CYS 22 HB2 CYS 22 0.300 -1.666 1.280 3 H CYS 22 HN CYS 22 -3.069 -2.540 0.246 4 HB3 CYS 22 HB1 CYS 22 -1.021 -0.719 0.605 No H/Q in entry = 4 In of MODEL 15 1 HA TRP 23 HA TRP 23 -0.278 -6.516 1.221 2 HB2 TRP 23 HB2 TRP 23 0.209 -5.128 3.281 3 HD1 TRP 23 HD1 TRP 23 1.257 -7.875 2.115 4 HE1 TRP 23 HE1 TRP 23 1.917 -9.775 3.721 5 HE3 TRP 23 HE3 TRP 23 -1.377 -6.403 6.243 6 HZ2 TRP 23 HZ2 TRP 23 1.390 -10.548 6.384 7 HZ3 TRP 23 HZ3 TRP 23 -1.245 -7.779 8.278 8 HH2 TRP 23 HH2 TRP 23 0.110 -9.809 8.346 9 H TRP 23 HN TRP 23 -2.248 -4.368 1.455 10 HB3 TRP 23 HB1 TRP 23 -1.352 -5.647 3.907 No H/Q in entry = 10 In of MODEL 15 1 HA ARG 24 HA ARG 24 -4.160 -8.572 1.419 2 HB2 ARG 24 HB2 ARG 24 -2.798 -9.120 -1.175 3 HG2 ARG 24 HG2 ARG 24 -5.601 -8.269 -0.476 4 HD2 ARG 24 HD2 ARG 24 -5.218 -7.563 -3.053 5 HE ARG 24 HE ARG 24 -6.637 -9.736 -1.825 6 HH11 ARG 24 HH11 ARG 24 -5.831 -8.204 -4.855 7 HH12 ARG 24 HH12 ARG 24 -7.219 -8.826 -5.683 8 HH21 ARG 24 HH21 ARG 24 -8.464 -10.555 -2.912 9 HH22 ARG 24 HH22 ARG 24 -8.714 -10.160 -4.580 10 H ARG 24 HN ARG 24 -1.410 -8.168 0.453 11 HB3 ARG 24 HB1 ARG 24 -4.095 -10.199 -0.681 12 HG3 ARG 24 HG1 ARG 24 -4.298 -7.215 -1.027 13 HD3 ARG 24 HD1 ARG 24 -4.292 -9.062 -2.993 No H/Q in entry = 13 In of MODEL 15 1 HA THR 25 HA THR 25 -2.941 -12.601 2.639 2 HB THR 25 HB THR 25 -2.557 -12.383 5.263 3 HG1 THR 25 HG1 THR 25 -2.267 -10.373 5.942 4 HG21 THR 25 HG21 THR 25 -0.828 -12.710 3.430 5 HG23 THR 25 HG22 THR 25 -0.296 -11.929 4.919 6 HG22 THR 25 HG23 THR 25 -0.618 -10.960 3.480 7 H THR 25 HN THR 25 -4.316 -10.047 2.966 No H/Q in entry = 7 In of MODEL 15 1 HA SER 26 HA SER 26 -6.574 -13.922 4.674 2 HB2 SER 26 HB2 SER 26 -5.313 -16.017 4.044 3 HG SER 26 HG SER 26 -6.719 -17.358 5.207 4 H SER 26 HN SER 26 -3.647 -13.984 4.755 5 HB3 SER 26 HB1 SER 26 -4.804 -16.136 5.729 No H/Q in entry = 5 In of MODEL 15 1 HA VAL 27 HA VAL 27 -6.066 -12.919 8.968 2 HB VAL 27 HB VAL 27 -4.195 -11.530 9.967 3 H VAL 27 HN VAL 27 -5.022 -12.094 6.342 No H/Q in entry = 3 In of MODEL 15 1 HA SER 28 HA SER 28 -7.470 -8.717 7.786 2 HB2 SER 28 HB2 SER 28 -4.708 -8.030 8.643 3 HG SER 28 HG SER 28 -7.270 -7.368 9.670 4 H SER 28 HN SER 28 -5.166 -10.208 6.890 5 HB3 SER 28 HB1 SER 28 -5.736 -6.693 8.126 No H/Q in entry = 5 In of MODEL 15 1 HA SER 29 HA SER 29 -5.908 -6.502 4.115 2 HB2 SER 29 HB2 SER 29 -8.843 -6.573 4.586 3 HG SER 29 HG SER 29 -7.470 -8.253 3.575 4 H SER 29 HN SER 29 -7.131 -6.318 6.744 5 HB3 SER 29 HB1 SER 29 -8.269 -5.555 3.266 No H/Q in entry = 5 In of MODEL 15 1 HA HIS 30 HA HIS 30 -6.451 -2.104 4.581 2 HB2 HIS 30 HB2 HIS 30 -3.667 -3.063 4.195 3 HD1 HIS 30 HD1 HIS 30 -4.361 0.055 6.060 4 HD2 HIS 30 HD2 HIS 30 -4.148 -4.022 6.833 5 HE1 HIS 30 HE1 HIS 30 -4.257 -0.150 8.564 6 HE2 HIS 30 HE2 HIS 30 -4.041 -2.621 9.005 7 H HIS 30 HN HIS 30 -5.644 -4.482 3.084 8 HB3 HIS 30 HB1 HIS 30 -3.947 -1.338 3.978 No H/Q in entry = 8 In of MODEL 15 1 HA TYR 31 HA TYR 31 -5.584 -0.489 0.426 2 HB2 TYR 31 HB2 TYR 31 -7.794 1.211 1.578 3 HD1 TYR 31 HD1 TYR 31 -9.144 -0.048 3.008 4 HD2 TYR 31 HD2 TYR 31 -7.767 -1.790 -0.622 5 HE1 TYR 31 HE1 TYR 31 -10.603 -1.990 3.393 6 HE2 TYR 31 HE2 TYR 31 -9.224 -3.735 -0.248 7 HH TYR 31 HH TYR 31 -10.806 -4.300 2.739 8 H TYR 31 HN TYR 31 -5.673 -0.077 3.297 9 HB3 TYR 31 HB1 TYR 31 -7.569 0.718 -0.097 No H/Q in entry = 9 In of MODEL 15 1 HA CYS 32 HA CYS 32 -3.010 2.970 1.059 2 HB2 CYS 32 HB2 CYS 32 -2.968 2.098 -1.778 3 H CYS 32 HN CYS 32 -4.281 0.968 -0.473 4 HB3 CYS 32 HB1 CYS 32 -2.401 3.731 -1.447 No H/Q in entry = 4 In of MODEL 15 1 HA THR 33 HA THR 33 -5.619 6.295 -0.095 2 HB THR 33 HB THR 33 -4.896 8.324 0.929 3 HG1 THR 33 HG1 THR 33 -2.697 8.697 1.381 4 HG22 THR 33 HG21 THR 33 -3.256 7.093 2.807 5 HG21 THR 33 HG22 THR 33 -4.346 5.828 2.238 6 HG23 THR 33 HG23 THR 33 -5.002 7.327 2.897 7 H THR 33 HN THR 33 -2.866 5.299 0.162 No H/Q in entry = 7 In of MODEL 15 1 HA3 GLY 34 HA2 GLY 34 -2.329 6.638 -3.958 2 H GLY 34 HN GLY 34 -2.439 6.363 -1.542 3 HA2 GLY 34 HA1 GLY 34 -3.592 7.851 -3.816 No H/Q in entry = 3 In of MODEL 15 1 HA ARG 35 HA ARG 35 -0.590 10.859 -2.810 2 HB2 ARG 35 HB2 ARG 35 -2.227 11.143 -0.697 3 HG2 ARG 35 HG2 ARG 35 -0.890 12.905 -2.060 4 HD2 ARG 35 HD2 ARG 35 0.591 13.387 0.443 5 HE ARG 35 HE ARG 35 0.699 14.499 -2.021 6 HH11 ARG 35 HH11 ARG 35 3.018 12.761 -0.077 7 HH12 ARG 35 HH12 ARG 35 4.385 13.593 -0.739 8 HH21 ARG 35 HH21 ARG 35 2.495 15.595 -2.893 9 HH22 ARG 35 HH22 ARG 35 4.088 15.203 -2.337 10 H ARG 35 HN ARG 35 -2.285 9.013 -1.408 11 HB3 ARG 35 HB1 ARG 35 -0.707 10.909 0.154 12 HG3 ARG 35 HG1 ARG 35 -1.485 13.302 -0.447 13 HD3 ARG 35 HD1 ARG 35 1.192 12.073 -0.567 No H/Q in entry = 13 In of MODEL 15 1 HA SER 36 HA SER 36 2.748 8.354 -1.071 2 HB2 SER 36 HB2 SER 36 1.717 7.463 1.603 3 HG SER 36 HG SER 36 2.342 9.799 2.118 4 H SER 36 HN SER 36 -0.147 8.154 -0.642 5 HB3 SER 36 HB1 SER 36 3.301 8.112 1.180 No H/Q in entry = 5 In of MODEL 15 1 HA CYS 37 HA CYS 37 2.578 4.106 -1.768 2 HB2 CYS 37 HB2 CYS 37 5.125 4.147 -0.135 3 H CYS 37 HN CYS 37 3.856 6.262 -0.407 4 HB3 CYS 37 HB1 CYS 37 4.610 2.828 -1.182 No H/Q in entry = 4 In of MODEL 15 1 HA GLU 38 HA GLU 38 2.389 2.499 2.741 2 HB2 GLU 38 HB2 GLU 38 1.964 5.260 3.898 3 HG2 GLU 38 HG2 GLU 38 4.297 3.561 4.600 4 H GLU 38 HN GLU 38 3.024 4.994 1.581 5 HB3 GLU 38 HB1 GLU 38 2.026 3.753 4.802 6 HG3 GLU 38 HG1 GLU 38 4.354 4.504 3.112 No H/Q in entry = 6 In of MODEL 15 1 HA CYS 39 HA CYS 39 -1.999 3.228 2.822 2 HB2 CYS 39 HB2 CYS 39 -3.035 0.963 2.943 3 H CYS 39 HN CYS 39 0.413 2.097 4.067 4 HB3 CYS 39 HB1 CYS 39 -1.682 1.055 1.820 No H/Q in entry = 4 In of MODEL 15 1 HA PRO 40 HA PRO 40 -2.053 3.149 7.557 2 HB2 PRO 40 HB2 PRO 40 -2.103 5.831 7.960 3 HG2 PRO 40 HG2 PRO 40 -1.978 6.552 5.756 4 HD2 PRO 40 HD2 PRO 40 -1.328 5.146 4.051 5 HB3 PRO 40 HB1 PRO 40 -0.600 4.908 7.845 6 HG3 PRO 40 HG1 PRO 40 -0.252 6.468 6.156 7 HD3 PRO 40 HD1 PRO 40 0.058 4.518 4.966 No H/Q in entry = 7 In of MODEL 15 1 HA SER 41 HA SER 41 -6.201 4.414 7.936 2 HB2 SER 41 HB2 SER 41 -5.913 3.513 5.407 3 HG SER 41 HG SER 41 -8.320 4.090 6.789 4 H SER 41 HN SER 41 -4.126 2.451 7.744 5 HB3 SER 41 HB1 SER 41 -6.997 2.276 6.043 No H/Q in entry = 5 In of MODEL 15 1 HA TYR 42 HA TYR 42 -5.430 0.896 11.206 2 HB2 TYR 42 HB2 TYR 42 -8.027 2.198 10.587 3 HD1 TYR 42 HD1 TYR 42 -8.268 1.010 13.777 4 HD2 TYR 42 HD2 TYR 42 -5.957 3.777 11.517 5 HE1 TYR 42 HE1 TYR 42 -7.750 2.250 15.836 6 HE2 TYR 42 HE2 TYR 42 -5.431 5.024 13.571 7 HH TYR 42 HH TYR 42 -7.045 4.439 16.541 8 H TYR 42 HN TYR 42 -4.900 2.413 9.596 9 HB3 TYR 42 HB1 TYR 42 -8.090 0.698 11.507 No H/Q in entry = 9 In of MODEL 15 1 HA PRO 43 HA PRO 43 -6.151 -2.967 9.217 2 HB2 PRO 43 HB2 PRO 43 -7.021 -4.524 11.262 3 HG2 PRO 43 HG2 PRO 43 -7.540 -2.870 12.808 4 HD2 PRO 43 HD2 PRO 43 -6.774 -0.709 12.581 5 HB3 PRO 43 HB1 PRO 43 -5.343 -3.991 11.110 6 HG3 PRO 43 HG1 PRO 43 -5.843 -3.168 13.227 7 HD3 PRO 43 HD1 PRO 43 -5.119 -1.232 12.206 No H/Q in entry = 7 In of MODEL 15 1 HA3 GLY 44 HA2 GLY 44 -10.542 -2.218 8.499 2 H GLY 44 HN GLY 44 -7.851 -2.554 7.799 3 HA2 GLY 44 HA1 GLY 44 -9.965 -2.769 6.933 No H/Q in entry = 3 In of MODEL 15 1 HA ASN 45 HA ASN 45 -12.976 -5.464 10.091 2 HB2 ASN 45 HB2 ASN 45 -12.921 -5.631 7.438 3 HD21 ASN 45 HD21 ASN 45 -14.813 -5.656 9.271 4 HD22 ASN 45 HD22 ASN 45 -15.717 -7.128 9.240 5 H ASN 45 HN ASN 45 -11.907 -3.566 9.440 6 HB3 ASN 45 HB1 ASN 45 -11.888 -7.015 7.787 No H/Q in entry = 6 In of MODEL 15 1 HA3 GLY 46 HA2 GLY 46 -9.947 -8.005 11.880 2 H GLY 46 HN GLY 46 -12.637 -7.766 10.773 3 HA2 GLY 46 HA1 GLY 46 -11.360 -8.927 12.371 No H/Q in entry = 3 In of MODEL 16 1 H1 ALA 1 HT1 ALA 1 13.416 14.554 -6.633 2 H2 ALA 1 HT3 ALA 1 12.726 15.756 -5.624 3 H3 ALA 1 HT2 ALA 1 13.466 16.203 -7.107 4 HA ALA 1 HA ALA 1 15.561 15.769 -6.354 5 HB1 ALA 1 HB1 ALA 1 15.148 17.799 -5.415 6 HB3 ALA 1 HB2 ALA 1 15.439 16.872 -3.943 7 HB2 ALA 1 HB3 ALA 1 13.787 17.208 -4.462 No H/Q in entry = 7 In of MODEL 16 1 HA MET 2 HA MET 2 16.340 11.514 -5.231 2 HB2 MET 2 HB2 MET 2 16.729 13.488 -3.001 3 H MET 2 HN MET 2 15.789 13.469 -6.255 4 HG2 MET 2 HG2 MET 2 18.691 11.660 -4.364 5 HE2 MET 2 HE1 MET 2 21.547 12.003 -2.117 6 HB3 MET 2 HB1 MET 2 16.946 11.766 -2.718 7 HE1 MET 2 HE2 MET 2 20.936 11.451 -3.676 8 HE3 MET 2 HE3 MET 2 20.145 10.936 -2.186 9 HG3 MET 2 HG1 MET 2 18.409 13.338 -4.825 No H/Q in entry = 9 In of MODEL 16 1 HA ASP 3 HA ASP 3 12.410 11.036 -3.031 2 HB2 ASP 3 HB2 ASP 3 11.540 13.239 -3.974 3 H ASP 3 HN ASP 3 13.571 12.206 -5.461 4 HB3 ASP 3 HB1 ASP 3 10.891 12.297 -5.313 No H/Q in entry = 4 In of MODEL 16 1 HA CYS 4 HA CYS 4 11.207 7.671 -5.570 2 HB2 CYS 4 HB2 CYS 4 13.712 7.357 -5.420 3 H CYS 4 HN CYS 4 12.368 8.881 -3.153 4 HB3 CYS 4 HB1 CYS 4 13.432 6.410 -3.963 No H/Q in entry = 4 In of MODEL 16 1 HA THR 5 HA THR 5 8.795 6.048 -2.250 2 HB THR 5 HB THR 5 6.474 5.740 -3.004 3 HG1 THR 5 HG1 THR 5 7.397 6.584 -5.546 4 HG22 THR 5 HG21 THR 5 6.068 8.085 -3.927 5 HG21 THR 5 HG22 THR 5 7.804 8.320 -3.725 6 HG23 THR 5 HG23 THR 5 6.797 7.939 -2.328 7 H THR 5 HN THR 5 9.280 6.940 -4.955 No H/Q in entry = 7 In of MODEL 16 1 HA THR 6 HA THR 6 8.869 1.834 -3.462 2 HB THR 6 HB THR 6 10.988 0.765 -2.555 3 HG1 THR 6 HG1 THR 6 11.608 3.443 -1.869 4 HG21 THR 6 HG21 THR 6 10.729 2.015 -4.815 5 HG23 THR 6 HG22 THR 6 12.332 1.577 -4.224 6 HG22 THR 6 HG23 THR 6 11.745 3.231 -4.041 7 H THR 6 HN THR 6 9.455 4.088 -1.665 No H/Q in entry = 7 In of MODEL 16 1 HA3 GLY 7 HA2 GLY 7 8.467 -1.084 0.004 2 H GLY 7 HN GLY 7 8.343 -0.131 -2.452 3 HA2 GLY 7 HA1 GLY 7 7.310 0.212 0.262 No H/Q in entry = 3 In of MODEL 16 1 HA PRO 8 HA PRO 8 4.791 -3.487 -0.782 2 HB2 PRO 8 HB2 PRO 8 2.682 -2.799 0.780 3 HG2 PRO 8 HG2 PRO 8 3.420 -0.729 1.530 4 HD2 PRO 8 HD2 PRO 8 5.623 -0.081 1.342 5 HB3 PRO 8 HB1 PRO 8 4.104 -3.641 1.407 6 HG3 PRO 8 HG1 PRO 8 4.090 -1.775 2.795 7 HD3 PRO 8 HD1 PRO 8 6.232 -1.631 1.956 No H/Q in entry = 7 In of MODEL 16 1 HA CYS 9 HA CYS 9 1.789 -0.535 -2.647 2 HB2 CYS 9 HB2 CYS 9 1.553 0.882 -0.401 3 H CYS 9 HN CYS 9 3.823 -0.088 -0.587 4 HB3 CYS 9 HB1 CYS 9 2.214 2.150 -1.428 No H/Q in entry = 4 In of MODEL 16 1 HA CYS 10 HA CYS 10 4.647 1.423 -5.345 2 HB2 CYS 10 HB2 CYS 10 7.056 0.887 -3.597 3 H CYS 10 HN CYS 10 4.635 -0.623 -3.255 4 HB3 CYS 10 HB1 CYS 10 6.943 2.058 -4.906 No H/Q in entry = 4 In of MODEL 16 1 HA ARG 11 HA ARG 11 6.277 -1.996 -7.478 2 HB2 ARG 11 HB2 ARG 11 5.930 0.270 -9.412 3 HG2 ARG 11 HG2 ARG 11 4.479 -2.243 -8.769 4 HD2 ARG 11 HD2 ARG 11 5.237 -1.940 -11.326 5 HE ARG 11 HE ARG 11 4.080 -0.229 -12.273 6 HH11 ARG 11 HH11 ARG 11 2.078 -1.632 -9.783 7 HH12 ARG 11 HH12 ARG 11 0.723 -0.610 -10.121 8 HH21 ARG 11 HH21 ARG 11 2.299 1.117 -12.720 9 HH22 ARG 11 HH22 ARG 11 0.847 0.951 -11.789 10 H ARG 11 HN ARG 11 5.839 0.870 -7.196 11 HB3 ARG 11 HB1 ARG 11 6.617 -1.256 -9.951 12 HG3 ARG 11 HG1 ARG 11 3.853 -0.622 -9.074 13 HD3 ARG 11 HD1 ARG 11 3.690 -2.637 -10.845 No H/Q in entry = 13 In of MODEL 16 1 HA GLN 12 HA GLN 12 10.529 -0.658 -8.278 2 HB2 GLN 12 HB2 GLN 12 9.648 0.496 -10.876 3 HG2 GLN 12 HG2 GLN 12 10.183 -2.008 -10.214 4 HE21 GLN 12 HE21 GLN 12 11.781 -3.587 -10.485 5 HE22 GLN 12 HE22 GLN 12 13.461 -3.206 -10.360 6 H GLN 12 HN GLN 12 8.009 0.573 -9.174 7 HB3 GLN 12 HB1 GLN 12 11.331 0.719 -10.419 8 HG3 GLN 12 HG1 GLN 12 10.521 -1.364 -11.820 No H/Q in entry = 8 In of MODEL 16 1 HA CYS 13 HA CYS 13 10.135 3.631 -6.563 2 HB2 CYS 13 HB2 CYS 13 11.906 3.679 -8.340 3 H CYS 13 HN CYS 13 8.705 2.283 -8.545 4 HB3 CYS 13 HB1 CYS 13 10.815 4.638 -9.333 No H/Q in entry = 4 In of MODEL 16 1 HA LYS 14 HA LYS 14 6.517 5.950 -7.384 2 HB2 LYS 14 HB2 LYS 14 4.662 5.213 -8.970 3 HG2 LYS 14 HG2 LYS 14 6.546 2.906 -9.302 4 HD2 LYS 14 HD2 LYS 14 4.371 3.275 -11.261 5 HE2 LYS 14 HE2 LYS 14 5.996 1.346 -11.149 6 HZ2 LYS 14 HZ1 LYS 14 8.092 2.132 -10.842 7 HZ1 LYS 14 HZ2 LYS 14 7.843 3.531 -11.759 8 HZ3 LYS 14 HZ3 LYS 14 8.094 2.048 -12.532 9 H LYS 14 HN LYS 14 7.444 3.183 -7.297 10 HB3 LYS 14 HB1 LYS 14 6.262 5.424 -9.667 11 HG3 LYS 14 HG1 LYS 14 4.797 2.881 -9.072 12 HD3 LYS 14 HD1 LYS 14 5.772 4.332 -11.451 13 HE3 LYS 14 HE1 LYS 14 5.845 2.143 -12.715 No H/Q in entry = 13 In of MODEL 16 1 HA LEU 15 HA LEU 15 3.495 4.094 -4.811 2 HB2 LEU 15 HB2 LEU 15 3.510 6.776 -4.695 3 HG LEU 15 HG LEU 15 1.914 6.701 -2.783 4 HD12 LEU 15 HD11 LEU 15 1.728 3.758 -2.982 5 HD11 LEU 15 HD12 LEU 15 0.685 4.698 -4.050 6 HD13 LEU 15 HD13 LEU 15 0.595 4.927 -2.304 7 HD21 LEU 15 HD21 LEU 15 4.303 5.010 -3.093 8 HD23 LEU 15 HD22 LEU 15 3.287 4.647 -1.698 9 HD22 LEU 15 HD23 LEU 15 3.946 6.269 -1.912 10 H LEU 15 HN LEU 15 4.045 5.978 -6.999 11 HB3 LEU 15 HB1 LEU 15 1.839 6.527 -5.163 No H/Q in entry = 11 In of MODEL 16 1 HA LYS 16 HA LYS 16 0.518 2.274 -7.424 2 HB2 LYS 16 HB2 LYS 16 0.435 1.087 -4.706 3 HG2 LYS 16 HG2 LYS 16 0.143 -0.961 -6.420 4 HD2 LYS 16 HD2 LYS 16 2.756 0.426 -5.827 5 HE2 LYS 16 HE2 LYS 16 2.872 -1.395 -7.510 6 HZ3 LYS 16 HZ1 LYS 16 2.595 -3.688 -6.552 7 HZ2 LYS 16 HZ2 LYS 16 1.160 -2.856 -6.885 8 HZ1 LYS 16 HZ3 LYS 16 1.715 -2.978 -5.292 9 H LYS 16 HN LYS 16 1.926 2.641 -5.031 10 HB3 LYS 16 HB1 LYS 16 -0.984 0.844 -5.715 11 HG3 LYS 16 HG1 LYS 16 0.967 0.201 -7.463 12 HD3 LYS 16 HD1 LYS 16 1.920 -0.684 -4.739 13 HE3 LYS 16 HE1 LYS 16 3.765 -1.738 -6.029 No H/Q in entry = 13 In of MODEL 16 1 HA PRO 17 HA PRO 17 -2.932 5.008 -7.375 2 HB2 PRO 17 HB2 PRO 17 -4.584 2.604 -7.990 3 HG2 PRO 17 HG2 PRO 17 -3.315 1.986 -9.841 4 HD2 PRO 17 HD2 PRO 17 -1.924 1.283 -8.140 5 HB3 PRO 17 HB1 PRO 17 -4.490 4.152 -8.837 6 HG3 PRO 17 HG1 PRO 17 -2.537 3.576 -9.949 7 HD3 PRO 17 HD1 PRO 17 -0.822 2.451 -8.897 No H/Q in entry = 7 In of MODEL 16 1 HA ALA 18 HA ALA 18 -4.599 4.577 -3.392 2 HB1 ALA 18 HB1 ALA 18 -5.022 6.970 -3.963 3 HB2 ALA 18 HB2 ALA 18 -6.222 6.257 -2.885 4 HB3 ALA 18 HB3 ALA 18 -6.597 6.486 -4.593 5 H ALA 18 HN ALA 18 -4.446 5.714 -5.943 No H/Q in entry = 5 In of MODEL 16 1 HA3 GLY 19 HA2 GLY 19 -8.202 2.212 -2.200 2 H GLY 19 HN GLY 19 -6.049 3.259 -2.385 3 HA2 GLY 19 HA1 GLY 19 -8.355 2.309 -3.948 No H/Q in entry = 3 In of MODEL 16 1 HA THR 20 HA THR 20 -6.066 -1.362 -4.649 2 HB THR 20 HB THR 20 -3.380 -0.005 -4.349 3 HG1 THR 20 HG1 THR 20 -5.060 -0.413 -6.589 4 HG23 THR 20 HG21 THR 20 -2.472 -1.771 -5.695 5 HG22 THR 20 HG22 THR 20 -4.056 -2.537 -5.823 6 HG21 THR 20 HG23 THR 20 -3.235 -2.462 -4.263 7 H THR 20 HN THR 20 -5.541 1.358 -4.275 No H/Q in entry = 7 In of MODEL 16 1 HA THR 21 HA THR 21 -5.757 -2.873 -0.587 2 HB THR 21 HB THR 21 -5.402 -5.464 -0.798 3 HG1 THR 21 HG1 THR 21 -6.055 -6.233 -2.827 4 HG23 THR 21 HG21 THR 21 -7.726 -5.847 -1.151 5 HG22 THR 21 HG22 THR 21 -7.916 -4.283 -1.945 6 HG21 THR 21 HG23 THR 21 -7.548 -4.359 -0.221 7 H THR 21 HN THR 21 -5.951 -3.101 -3.371 No H/Q in entry = 7 In of MODEL 16 1 HA CYS 22 HA CYS 22 -1.472 -3.351 -0.053 2 HB2 CYS 22 HB2 CYS 22 -2.714 -2.716 2.256 3 H CYS 22 HN CYS 22 -4.189 -3.908 0.845 4 HB3 CYS 22 HB1 CYS 22 -1.968 -4.238 2.731 No H/Q in entry = 4 In of MODEL 16 1 HA TRP 23 HA TRP 23 -1.317 -7.875 0.533 2 HB2 TRP 23 HB2 TRP 23 -0.254 -7.207 2.745 3 HD1 TRP 23 HD1 TRP 23 0.567 -9.262 0.618 4 HE1 TRP 23 HE1 TRP 23 1.387 -11.616 1.256 5 HE3 TRP 23 HE3 TRP 23 -1.494 -9.603 5.285 6 HZ2 TRP 23 HZ2 TRP 23 1.187 -13.384 3.448 7 HZ3 TRP 23 HZ3 TRP 23 -1.132 -11.659 6.586 8 HH2 TRP 23 HH2 TRP 23 0.180 -13.511 5.685 9 H TRP 23 HN TRP 23 -2.898 -5.887 2.013 10 HB3 TRP 23 HB1 TRP 23 -1.645 -7.946 3.533 No H/Q in entry = 10 In of MODEL 16 1 HA ARG 24 HA ARG 24 -4.958 -10.219 1.414 2 HB2 ARG 24 HB2 ARG 24 -4.113 -11.152 -1.328 3 HG2 ARG 24 HG2 ARG 24 -5.908 -9.243 -1.876 4 HD2 ARG 24 HD2 ARG 24 -3.991 -7.783 -2.466 5 HE ARG 24 HE ARG 24 -3.025 -10.340 -3.340 6 HH11 ARG 24 HH11 ARG 24 -5.580 -7.988 -3.686 7 HH12 ARG 24 HH12 ARG 24 -6.017 -8.512 -5.278 8 HH21 ARG 24 HH21 ARG 24 -3.598 -11.030 -5.434 9 HH22 ARG 24 HH22 ARG 24 -4.892 -10.239 -6.270 10 H ARG 24 HN ARG 24 -2.234 -9.911 0.341 11 HB3 ARG 24 HB1 ARG 24 -5.738 -11.122 -0.658 12 HG3 ARG 24 HG1 ARG 24 -5.120 -8.514 -0.475 13 HD3 ARG 24 HD1 ARG 24 -2.930 -8.879 -1.580 No H/Q in entry = 13 In of MODEL 16 1 HA THR 25 HA THR 25 -4.049 -14.524 1.755 2 HB THR 25 HB THR 25 -3.059 -14.647 4.233 3 HG1 THR 25 HG1 THR 25 -3.515 -12.552 4.827 4 HG23 THR 25 HG21 THR 25 -0.966 -14.579 3.355 5 HG22 THR 25 HG22 THR 25 -1.312 -13.176 2.344 6 HG21 THR 25 HG23 THR 25 -1.903 -14.770 1.874 7 H THR 25 HN THR 25 -5.263 -12.045 2.505 No H/Q in entry = 7 In of MODEL 16 1 HA SER 26 HA SER 26 -8.667 -14.019 3.214 2 HB2 SER 26 HB2 SER 26 -7.197 -16.505 4.119 3 HG SER 26 HG SER 26 -8.612 -16.111 1.696 4 H SER 26 HN SER 26 -6.692 -13.420 2.260 5 HB3 SER 26 HB1 SER 26 -8.938 -16.318 3.909 No H/Q in entry = 5 In of MODEL 16 1 HA VAL 27 HA VAL 27 -8.679 -12.704 7.305 2 HB VAL 27 HB VAL 27 -6.524 -13.859 7.527 3 H VAL 27 HN VAL 27 -7.852 -12.172 4.687 No H/Q in entry = 3 In of MODEL 16 1 HA SER 28 HA SER 28 -8.158 -8.342 5.955 2 HB2 SER 28 HB2 SER 28 -6.701 -8.284 7.860 3 HG SER 28 HG SER 28 -5.143 -6.502 6.896 4 H SER 28 HN SER 28 -6.666 -10.682 5.241 5 HB3 SER 28 HB1 SER 28 -5.286 -8.610 6.860 No H/Q in entry = 5 In of MODEL 16 1 HA SER 29 HA SER 29 -6.287 -7.431 2.099 2 HB2 SER 29 HB2 SER 29 -8.780 -5.833 1.704 3 HG SER 29 HG SER 29 -9.707 -7.550 2.678 4 H SER 29 HN SER 29 -8.186 -6.951 4.292 5 HB3 SER 29 HB1 SER 29 -7.944 -6.905 0.581 No H/Q in entry = 5 In of MODEL 16 1 HA HIS 30 HA HIS 30 -7.057 -2.830 4.639 2 HB2 HIS 30 HB2 HIS 30 -4.536 -4.099 3.720 3 HD1 HIS 30 HD1 HIS 30 -3.627 -5.062 5.792 4 HD2 HIS 30 HD2 HIS 30 -5.681 -1.524 6.520 5 HE1 HIS 30 HE1 HIS 30 -3.458 -4.685 8.272 6 HE2 HIS 30 HE2 HIS 30 -4.780 -2.583 8.700 7 H HIS 30 HN HIS 30 -7.656 -4.977 4.188 8 HB3 HIS 30 HB1 HIS 30 -4.558 -2.339 3.774 No H/Q in entry = 8 In of MODEL 16 1 HA TYR 31 HA TYR 31 -6.330 -0.783 0.593 2 HB2 TYR 31 HB2 TYR 31 -8.119 0.645 2.542 3 HD1 TYR 31 HD1 TYR 31 -10.303 -0.146 2.584 4 HD2 TYR 31 HD2 TYR 31 -7.803 -1.157 -0.706 5 HE1 TYR 31 HE1 TYR 31 -12.046 -1.657 1.732 6 HE2 TYR 31 HE2 TYR 31 -9.540 -2.670 -1.568 7 HH TYR 31 HH TYR 31 -12.294 -2.703 -1.214 8 H TYR 31 HN TYR 31 -5.826 -0.833 3.432 9 HB3 TYR 31 HB1 TYR 31 -7.868 1.279 0.919 No H/Q in entry = 9 In of MODEL 16 1 HA CYS 32 HA CYS 32 -2.905 1.862 1.267 2 HB2 CYS 32 HB2 CYS 32 -3.364 1.333 -1.610 3 H CYS 32 HN CYS 32 -4.710 0.340 -0.240 4 HB3 CYS 32 HB1 CYS 32 -2.453 2.790 -1.232 No H/Q in entry = 4 In of MODEL 16 1 HA THR 33 HA THR 33 -5.051 5.611 1.642 2 HB THR 33 HB THR 33 -3.402 5.852 3.416 3 HG1 THR 33 HG1 THR 33 -3.431 8.208 1.845 4 HG22 THR 33 HG21 THR 33 -1.475 7.361 1.799 5 HG21 THR 33 HG22 THR 33 -1.462 5.613 1.564 6 HG23 THR 33 HG23 THR 33 -1.219 6.288 3.175 7 H THR 33 HN THR 33 -2.731 3.993 1.729 No H/Q in entry = 7 In of MODEL 16 1 HA3 GLY 34 HA2 GLY 34 -2.140 5.991 -2.665 2 H GLY 34 HN GLY 34 -2.253 5.313 -0.429 3 HA2 GLY 34 HA1 GLY 34 -3.568 6.984 -2.413 No H/Q in entry = 3 In of MODEL 16 1 HA ARG 35 HA ARG 35 0.050 9.641 -1.520 2 HB2 ARG 35 HB2 ARG 35 -1.494 10.243 0.295 3 HG2 ARG 35 HG2 ARG 35 1.067 10.906 1.589 4 HD2 ARG 35 HD2 ARG 35 -1.491 12.181 0.874 5 HE ARG 35 HE ARG 35 0.805 13.543 0.107 6 HH11 ARG 35 HH11 ARG 35 -1.934 14.051 2.209 7 HH12 ARG 35 HH12 ARG 35 -1.912 15.773 2.028 8 HH21 ARG 35 HH21 ARG 35 0.836 15.807 -0.132 9 HH22 ARG 35 HH22 ARG 35 -0.340 16.770 0.698 10 H ARG 35 HN ARG 35 -0.841 7.151 -0.251 11 HB3 ARG 35 HB1 ARG 35 -0.523 9.313 1.429 12 HG3 ARG 35 HG1 ARG 35 0.900 11.398 -0.098 13 HD3 ARG 35 HD1 ARG 35 -0.491 12.371 2.314 No H/Q in entry = 13 In of MODEL 16 1 HA SER 36 HA SER 36 3.573 7.421 0.282 2 HB2 SER 36 HB2 SER 36 2.253 7.504 2.951 3 HG SER 36 HG SER 36 4.162 8.800 3.325 4 H SER 36 HN SER 36 0.717 7.204 0.957 5 HB3 SER 36 HB1 SER 36 3.780 6.631 2.826 No H/Q in entry = 5 In of MODEL 16 1 HA CYS 37 HA CYS 37 3.443 3.140 -0.200 2 HB2 CYS 37 HB2 CYS 37 6.030 3.995 -0.337 3 H CYS 37 HN CYS 37 4.820 5.471 0.697 4 HB3 CYS 37 HB1 CYS 37 6.142 2.772 0.924 No H/Q in entry = 4 In of MODEL 16 1 HA GLU 38 HA GLU 38 4.445 2.055 4.425 2 HB2 GLU 38 HB2 GLU 38 3.493 4.822 5.180 3 HG2 GLU 38 HG2 GLU 38 6.103 3.511 5.873 4 H GLU 38 HN GLU 38 4.362 4.386 2.903 5 HB3 GLU 38 HB1 GLU 38 3.783 3.529 6.336 6 HG3 GLU 38 HG1 GLU 38 5.897 4.549 4.463 No H/Q in entry = 6 In of MODEL 16 1 HA CYS 39 HA CYS 39 0.129 1.293 4.651 2 HB2 CYS 39 HB2 CYS 39 1.551 -0.819 3.753 3 H CYS 39 HN CYS 39 2.950 0.719 5.277 4 HB3 CYS 39 HB1 CYS 39 0.941 -1.490 5.262 No H/Q in entry = 4 In of MODEL 16 1 HA PRO 40 HA PRO 40 0.289 1.748 9.237 2 HB2 PRO 40 HB2 PRO 40 -2.493 2.570 8.535 3 HG2 PRO 40 HG2 PRO 40 -1.801 4.377 7.239 4 HD2 PRO 40 HD2 PRO 40 -1.351 2.654 5.778 5 HB3 PRO 40 HB1 PRO 40 -1.340 3.329 9.640 6 HG3 PRO 40 HG1 PRO 40 -0.165 4.353 7.922 7 HD3 PRO 40 HD1 PRO 40 0.309 3.260 5.953 No H/Q in entry = 7 In of MODEL 16 1 HA SER 41 HA SER 41 -2.503 -1.587 9.990 2 HB2 SER 41 HB2 SER 41 -1.145 -0.959 12.620 3 HG SER 41 HG SER 41 0.411 -1.590 11.271 4 H SER 41 HN SER 41 -1.254 0.916 10.917 5 HB3 SER 41 HB1 SER 41 -2.047 -2.442 12.305 No H/Q in entry = 5 In of MODEL 16 1 HA TYR 42 HA TYR 42 -6.329 -0.451 11.568 2 HB2 TYR 42 HB2 TYR 42 -4.689 1.775 12.140 3 HD1 TYR 42 HD1 TYR 42 -8.094 0.351 12.584 4 HD2 TYR 42 HD2 TYR 42 -4.755 2.230 14.434 5 HE1 TYR 42 HE1 TYR 42 -9.103 -0.044 14.791 6 HE2 TYR 42 HE2 TYR 42 -5.754 1.838 16.647 7 HH TYR 42 HH TYR 42 -8.703 1.334 17.272 8 H TYR 42 HN TYR 42 -4.361 -0.053 9.621 9 HB3 TYR 42 HB1 TYR 42 -6.219 2.423 11.559 No H/Q in entry = 9 In of MODEL 16 1 HA PRO 43 HA PRO 43 -8.151 2.489 8.191 2 HB2 PRO 43 HB2 PRO 43 -6.404 3.477 6.340 3 HG2 PRO 43 HG2 PRO 43 -4.420 2.681 7.242 4 HD2 PRO 43 HD2 PRO 43 -4.287 1.905 9.413 5 HB3 PRO 43 HB1 PRO 43 -6.846 4.336 7.819 6 HG3 PRO 43 HG1 PRO 43 -4.540 4.236 8.087 7 HD3 PRO 43 HD1 PRO 43 -5.243 3.255 10.057 No H/Q in entry = 7 In of MODEL 16 1 HA3 GLY 44 HA2 GLY 44 -7.585 -0.692 5.187 2 H GLY 44 HN GLY 44 -8.473 0.049 7.907 3 HA2 GLY 44 HA1 GLY 44 -7.674 -1.867 6.490 No H/Q in entry = 3 In of MODEL 16 1 HA ASN 45 HA ASN 45 -12.045 -1.689 5.684 2 HB2 ASN 45 HB2 ASN 45 -11.116 -3.709 4.600 3 HD21 ASN 45 HD21 ASN 45 -13.177 -2.706 3.805 4 HD22 ASN 45 HD22 ASN 45 -14.616 -3.649 3.963 5 H ASN 45 HN ASN 45 -9.730 -2.514 7.274 6 HB3 ASN 45 HB1 ASN 45 -11.269 -4.581 6.122 No H/Q in entry = 6 In of MODEL 16 1 HA3 GLY 46 HA2 GLY 46 -15.525 -2.841 8.409 2 H GLY 46 HN GLY 46 -14.109 -2.406 6.635 3 HA2 GLY 46 HA1 GLY 46 -14.137 -3.415 9.323 No H/Q in entry = 3 In of MODEL 17 1 H1 ALA 1 HT3 ALA 1 13.976 6.567 2.851 2 H2 ALA 1 HT2 ALA 1 13.478 5.336 1.764 3 H3 ALA 1 HT1 ALA 1 14.986 5.210 2.573 4 HA ALA 1 HA ALA 1 15.843 7.048 1.419 5 HB3 ALA 1 HB1 ALA 1 14.536 5.470 -0.744 6 HB1 ALA 1 HB2 ALA 1 15.603 4.647 0.394 7 HB2 ALA 1 HB3 ALA 1 16.215 5.984 -0.579 No H/Q in entry = 7 In of MODEL 17 1 HA MET 2 HA MET 2 12.756 9.253 -1.028 2 HB2 MET 2 HB2 MET 2 15.019 10.857 0.064 3 H MET 2 HN MET 2 15.503 8.318 -0.716 4 HG2 MET 2 HG2 MET 2 12.076 10.668 0.539 5 HE1 MET 2 HE1 MET 2 11.371 12.694 -0.537 6 HB3 MET 2 HB1 MET 2 13.890 11.658 -1.019 7 HE3 MET 2 HE2 MET 2 11.409 14.291 0.209 8 HE2 MET 2 HE3 MET 2 10.531 12.975 0.988 9 HG3 MET 2 HG1 MET 2 13.406 10.483 1.681 No H/Q in entry = 9 In of MODEL 17 1 HA ASP 3 HA ASP 3 13.275 11.779 -4.917 2 HB2 ASP 3 HB2 ASP 3 15.705 11.823 -3.903 3 H ASP 3 HN ASP 3 12.944 11.238 -2.733 4 HB3 ASP 3 HB1 ASP 3 15.933 10.401 -4.917 No H/Q in entry = 4 In of MODEL 17 1 HA CYS 4 HA CYS 4 11.837 8.181 -6.884 2 HB2 CYS 4 HB2 CYS 4 14.036 7.249 -5.568 3 H CYS 4 HN CYS 4 11.934 9.348 -4.341 4 HB3 CYS 4 HB1 CYS 4 12.832 6.051 -5.108 No H/Q in entry = 4 In of MODEL 17 1 HA THR 5 HA THR 5 9.559 6.969 -2.225 2 HB THR 5 HB THR 5 7.687 7.091 -4.522 3 HG1 THR 5 HG1 THR 5 8.888 9.439 -3.487 4 HG21 THR 5 HG21 THR 5 7.363 7.121 -1.823 5 HG23 THR 5 HG22 THR 5 6.179 7.692 -2.998 6 HG22 THR 5 HG23 THR 5 7.273 8.836 -2.222 7 H THR 5 HN THR 5 11.348 7.688 -3.432 No H/Q in entry = 7 In of MODEL 17 1 HA THR 6 HA THR 6 8.441 2.925 -3.507 2 HB THR 6 HB THR 6 11.056 2.542 -2.036 3 HG1 THR 6 HG1 THR 6 10.605 2.807 -4.821 4 HG22 THR 6 HG21 THR 6 9.778 0.779 -4.109 5 HG21 THR 6 HG22 THR 6 9.767 0.463 -2.373 6 HG23 THR 6 HG23 THR 6 11.294 0.497 -3.254 7 H THR 6 HN THR 6 9.435 4.918 -1.634 No H/Q in entry = 7 In of MODEL 17 1 HA3 GLY 7 HA2 GLY 7 7.832 0.334 0.196 2 H GLY 7 HN GLY 7 7.694 0.987 -2.479 3 HA2 GLY 7 HA1 GLY 7 6.508 1.482 0.070 No H/Q in entry = 3 In of MODEL 17 1 HA PRO 8 HA PRO 8 5.005 -2.978 -0.533 2 HB2 PRO 8 HB2 PRO 8 2.797 -1.701 1.009 3 HG2 PRO 8 HG2 PRO 8 4.069 -1.424 2.938 4 HD2 PRO 8 HD2 PRO 8 4.911 0.294 1.649 5 HB3 PRO 8 HB1 PRO 8 3.488 -3.320 1.164 6 HG3 PRO 8 HG1 PRO 8 5.308 -2.569 2.391 7 HD3 PRO 8 HD1 PRO 8 6.418 -0.621 1.858 No H/Q in entry = 7 In of MODEL 17 1 HA CYS 9 HA CYS 9 1.613 -0.906 -2.850 2 HB2 CYS 9 HB2 CYS 9 0.692 0.337 -0.711 3 H CYS 9 HN CYS 9 3.175 0.080 -0.580 4 HB3 CYS 9 HB1 CYS 9 1.157 1.777 -1.611 No H/Q in entry = 4 In of MODEL 17 1 HA CYS 10 HA CYS 10 4.033 1.742 -5.349 2 HB2 CYS 10 HB2 CYS 10 5.955 1.779 -3.067 3 H CYS 10 HN CYS 10 4.323 -0.362 -3.348 4 HB3 CYS 10 HB1 CYS 10 6.507 2.380 -4.627 No H/Q in entry = 4 In of MODEL 17 1 HA ARG 11 HA ARG 11 6.127 -1.540 -7.378 2 HB2 ARG 11 HB2 ARG 11 4.618 0.169 -9.282 3 HG2 ARG 11 HG2 ARG 11 4.046 -2.187 -8.110 4 HD2 ARG 11 HD2 ARG 11 5.847 -3.341 -9.341 5 HE ARG 11 HE ARG 11 5.085 -1.940 -11.554 6 HH11 ARG 11 HH11 ARG 11 5.390 -5.329 -10.778 7 HH12 ARG 11 HH12 ARG 11 5.768 -5.795 -12.402 8 HH21 ARG 11 HH21 ARG 11 5.582 -2.551 -13.691 9 HH22 ARG 11 HH22 ARG 11 5.878 -4.218 -14.056 10 H ARG 11 HN ARG 11 4.585 0.879 -7.228 11 HB3 ARG 11 HB1 ARG 11 5.900 -0.830 -9.953 12 HG3 ARG 11 HG1 ARG 11 3.365 -1.655 -9.649 13 HD3 ARG 11 HD1 ARG 11 4.243 -3.965 -9.724 No H/Q in entry = 13 In of MODEL 17 1 HA GLN 12 HA GLN 12 10.433 -0.782 -7.168 2 HB2 GLN 12 HB2 GLN 12 9.261 -0.115 -9.801 3 HG2 GLN 12 HG2 GLN 12 11.923 -1.313 -9.642 4 HE21 GLN 12 HE21 GLN 12 11.022 -3.855 -10.447 5 HE22 GLN 12 HE22 GLN 12 10.307 -3.699 -12.012 6 H GLN 12 HN GLN 12 8.242 -1.333 -6.923 7 HB3 GLN 12 HB1 GLN 12 10.817 0.622 -9.445 8 HG3 GLN 12 HG1 GLN 12 10.658 -2.237 -8.836 No H/Q in entry = 8 In of MODEL 17 1 HA CYS 13 HA CYS 13 9.739 3.724 -6.553 2 HB2 CYS 13 HB2 CYS 13 11.150 3.774 -9.169 3 H CYS 13 HN CYS 13 9.142 2.038 -8.865 4 HB3 CYS 13 HB1 CYS 13 10.752 5.329 -8.446 No H/Q in entry = 4 In of MODEL 17 1 HA LYS 14 HA LYS 14 6.227 5.494 -8.597 2 HB2 LYS 14 HB2 LYS 14 6.447 3.634 -10.440 3 HG2 LYS 14 HG2 LYS 14 4.943 5.865 -10.313 4 HD2 LYS 14 HD2 LYS 14 3.104 3.539 -10.246 5 HE2 LYS 14 HE2 LYS 14 2.062 5.951 -11.588 6 HZ3 LYS 14 HZ1 LYS 14 0.792 4.284 -12.786 7 HZ2 LYS 14 HZ2 LYS 14 0.661 4.042 -11.117 8 HZ1 LYS 14 HZ3 LYS 14 1.667 3.043 -12.039 9 H LYS 14 HN LYS 14 7.277 2.854 -7.827 10 HB3 LYS 14 HB1 LYS 14 4.998 2.989 -9.681 11 HG3 LYS 14 HG1 LYS 14 4.972 4.766 -11.693 12 HD3 LYS 14 HD1 LYS 14 2.882 5.176 -9.626 13 HE3 LYS 14 HE1 LYS 14 3.108 4.915 -12.557 No H/Q in entry = 13 In of MODEL 17 1 HA LEU 15 HA LEU 15 3.182 4.379 -5.677 2 HB2 LEU 15 HB2 LEU 15 3.400 7.031 -6.039 3 HG LEU 15 HG LEU 15 2.921 6.074 -3.851 4 HD11 LEU 15 HD11 LEU 15 2.252 8.544 -4.675 5 HD13 LEU 15 HD12 LEU 15 2.085 7.990 -3.009 6 HD12 LEU 15 HD13 LEU 15 0.688 7.982 -4.085 7 HD22 LEU 15 HD21 LEU 15 1.243 4.466 -4.341 8 HD21 LEU 15 HD22 LEU 15 0.153 5.700 -4.974 9 HD23 LEU 15 HD23 LEU 15 0.519 5.646 -3.249 10 H LEU 15 HN LEU 15 3.975 5.843 -8.091 11 HB3 LEU 15 HB1 LEU 15 1.728 6.820 -6.521 No H/Q in entry = 11 In of MODEL 17 1 HA LYS 16 HA LYS 16 0.143 2.343 -8.049 2 HB2 LYS 16 HB2 LYS 16 -0.073 1.640 -5.176 3 HG2 LYS 16 HG2 LYS 16 -0.489 -0.642 -6.531 4 HD2 LYS 16 HD2 LYS 16 2.109 0.737 -5.896 5 HE2 LYS 16 HE2 LYS 16 2.574 -0.931 -7.590 6 HZ3 LYS 16 HZ1 LYS 16 1.269 -2.913 -5.810 7 HZ2 LYS 16 HZ2 LYS 16 1.975 -3.206 -7.319 8 HZ1 LYS 16 HZ3 LYS 16 0.557 -2.290 -7.213 9 H LYS 16 HN LYS 16 1.517 3.023 -5.701 10 HB3 LYS 16 HB1 LYS 16 -1.491 1.329 -6.168 11 HG3 LYS 16 HG1 LYS 16 0.433 0.267 -7.731 12 HD3 LYS 16 HD1 LYS 16 1.246 -0.456 -4.923 13 HE3 LYS 16 HE1 LYS 16 3.152 -1.483 -6.018 No H/Q in entry = 13 In of MODEL 17 1 HA PRO 17 HA PRO 17 -3.196 5.206 -8.296 2 HB2 PRO 17 HB2 PRO 17 -5.223 3.650 -9.215 3 HG2 PRO 17 HG2 PRO 17 -4.319 1.554 -8.785 4 HD2 PRO 17 HD2 PRO 17 -2.077 1.262 -8.340 5 HB3 PRO 17 HB1 PRO 17 -3.855 4.140 -10.222 6 HG3 PRO 17 HG1 PRO 17 -3.705 1.828 -10.426 7 HD3 PRO 17 HD1 PRO 17 -1.575 2.307 -9.684 No H/Q in entry = 7 In of MODEL 17 1 HA ALA 18 HA ALA 18 -5.325 4.999 -4.523 2 HB3 ALA 18 HB1 ALA 18 -7.157 6.896 -5.969 3 HB1 ALA 18 HB2 ALA 18 -5.600 7.386 -5.303 4 HB2 ALA 18 HB3 ALA 18 -6.862 6.773 -4.235 5 H ALA 18 HN ALA 18 -4.839 6.024 -7.078 No H/Q in entry = 5 In of MODEL 17 1 HA3 GLY 19 HA2 GLY 19 -8.793 2.412 -4.000 2 H GLY 19 HN GLY 19 -6.331 3.145 -4.090 3 HA2 GLY 19 HA1 GLY 19 -8.638 2.371 -5.750 No H/Q in entry = 3 In of MODEL 17 1 HA THR 20 HA THR 20 -6.368 -1.363 -5.699 2 HB THR 20 HB THR 20 -3.587 -0.491 -5.146 3 HG1 THR 20 HG1 THR 20 -5.122 0.460 -7.317 4 HG23 THR 20 HG21 THR 20 -3.732 -2.672 -5.952 5 HG22 THR 20 HG22 THR 20 -3.253 -1.712 -7.351 6 HG21 THR 20 HG23 THR 20 -4.927 -2.238 -7.173 7 H THR 20 HN THR 20 -5.840 1.399 -5.556 No H/Q in entry = 7 In of MODEL 17 1 HA THR 21 HA THR 21 -5.628 -2.579 -1.605 2 HB THR 21 HB THR 21 -4.694 -4.991 -1.478 3 HG1 THR 21 HG1 THR 21 -3.682 -4.758 -3.609 4 HG23 THR 21 HG21 THR 21 -7.049 -4.671 -1.368 5 HG22 THR 21 HG22 THR 21 -6.725 -5.965 -2.523 6 HG21 THR 21 HG23 THR 21 -7.141 -4.351 -3.100 7 H THR 21 HN THR 21 -4.960 -2.970 -4.401 No H/Q in entry = 7 In of MODEL 17 1 HA CYS 22 HA CYS 22 -1.253 -2.600 -0.715 2 HB2 CYS 22 HB2 CYS 22 -2.370 -0.921 0.684 3 H CYS 22 HN CYS 22 -3.937 -3.582 -0.018 4 HB3 CYS 22 HB1 CYS 22 -2.695 -2.146 1.906 No H/Q in entry = 4 In of MODEL 17 1 HA TRP 23 HA TRP 23 -0.921 -6.475 1.629 2 HB2 TRP 23 HB2 TRP 23 -1.190 -5.013 3.731 3 HD1 TRP 23 HD1 TRP 23 0.960 -7.006 3.057 4 HE1 TRP 23 HE1 TRP 23 1.673 -8.897 4.650 5 HE3 TRP 23 HE3 TRP 23 -3.254 -7.272 5.940 6 HZ2 TRP 23 HZ2 TRP 23 0.593 -10.314 6.839 7 HZ3 TRP 23 HZ3 TRP 23 -3.333 -8.923 7.763 8 HH2 TRP 23 HH2 TRP 23 -1.449 -10.412 8.201 9 H TRP 23 HN TRP 23 -3.162 -4.574 1.534 10 HB3 TRP 23 HB1 TRP 23 -2.657 -5.940 4.031 No H/Q in entry = 10 In of MODEL 17 1 HA ARG 24 HA ARG 24 -4.595 -8.818 0.718 2 HB2 ARG 24 HB2 ARG 24 -2.687 -9.730 -1.439 3 HG2 ARG 24 HG2 ARG 24 -4.459 -7.349 -1.319 4 HD2 ARG 24 HD2 ARG 24 -4.907 -9.298 -3.245 5 HE ARG 24 HE ARG 24 -3.731 -7.227 -4.859 6 HH11 ARG 24 HH11 ARG 24 -3.215 -10.338 -3.362 7 HH12 ARG 24 HH12 ARG 24 -1.963 -10.801 -4.465 8 HH21 ARG 24 HH21 ARG 24 -2.084 -7.835 -6.310 9 HH22 ARG 24 HH22 ARG 24 -1.320 -9.380 -6.138 10 H ARG 24 HN ARG 24 -1.893 -7.877 0.190 11 HB3 ARG 24 HB1 ARG 24 -4.425 -9.990 -1.378 12 HG3 ARG 24 HG1 ARG 24 -2.892 -7.557 -2.103 13 HD3 ARG 24 HD1 ARG 24 -5.389 -7.604 -3.321 No H/Q in entry = 13 In of MODEL 17 1 HA THR 25 HA THR 25 -3.301 -12.769 2.076 2 HB THR 25 HB THR 25 -2.518 -12.748 4.336 3 HG1 THR 25 HG1 THR 25 -3.873 -10.273 4.616 4 HG22 THR 25 HG21 THR 25 -1.952 -10.009 3.230 5 HG21 THR 25 HG22 THR 25 -1.102 -11.485 2.772 6 HG23 THR 25 HG23 THR 25 -1.000 -10.887 4.428 7 H THR 25 HN THR 25 -4.856 -10.332 2.217 No H/Q in entry = 7 In of MODEL 17 1 HA SER 26 HA SER 26 -7.002 -14.063 4.092 2 HB2 SER 26 HB2 SER 26 -5.295 -16.292 5.199 3 HG SER 26 HG SER 26 -4.602 -15.940 3.086 4 H SER 26 HN SER 26 -4.073 -14.005 4.370 5 HB3 SER 26 HB1 SER 26 -6.954 -16.381 4.608 No H/Q in entry = 5 In of MODEL 17 1 HA VAL 27 HA VAL 27 -7.664 -12.934 8.184 2 HB VAL 27 HB VAL 27 -5.331 -13.589 8.583 3 H VAL 27 HN VAL 27 -6.759 -12.162 5.652 No H/Q in entry = 3 In of MODEL 17 1 HA SER 28 HA SER 28 -7.992 -8.516 7.093 2 HB2 SER 28 HB2 SER 28 -5.224 -7.486 7.371 3 HG SER 28 HG SER 28 -5.906 -8.325 9.765 4 H SER 28 HN SER 28 -5.988 -10.462 6.318 5 HB3 SER 28 HB1 SER 28 -6.680 -7.072 8.277 No H/Q in entry = 5 In of MODEL 17 1 HA SER 29 HA SER 29 -6.363 -6.828 3.326 2 HB2 SER 29 HB2 SER 29 -9.296 -6.221 3.066 3 HG SER 29 HG SER 29 -8.204 -8.793 2.657 4 H SER 29 HN SER 29 -8.081 -6.698 5.706 5 HB3 SER 29 HB1 SER 29 -8.160 -6.749 1.825 No H/Q in entry = 5 In of MODEL 17 1 HA HIS 30 HA HIS 30 -6.551 -2.536 4.247 2 HB2 HIS 30 HB2 HIS 30 -3.746 -3.293 3.477 3 HD1 HIS 30 HD1 HIS 30 -2.502 -1.580 5.727 4 HD2 HIS 30 HD2 HIS 30 -5.801 -4.059 6.206 5 HE1 HIS 30 HE1 HIS 30 -2.581 -2.127 8.181 6 HE2 HIS 30 HE2 HIS 30 -4.534 -3.698 8.432 7 H HIS 30 HN HIS 30 -5.339 -4.958 3.140 8 HB3 HIS 30 HB1 HIS 30 -4.194 -1.605 3.702 No H/Q in entry = 8 In of MODEL 17 1 HA TYR 31 HA TYR 31 -6.252 -0.948 0.066 2 HB2 TYR 31 HB2 TYR 31 -7.884 0.838 1.859 3 HD1 TYR 31 HD1 TYR 31 -9.695 -0.378 2.590 4 HD2 TYR 31 HD2 TYR 31 -8.205 -1.094 -1.330 5 HE1 TYR 31 HE1 TYR 31 -11.503 -2.000 2.205 6 HE2 TYR 31 HE2 TYR 31 -10.009 -2.717 -1.726 7 HH TYR 31 HH TYR 31 -12.704 -3.007 0.325 8 H TYR 31 HN TYR 31 -5.866 -0.478 2.939 9 HB3 TYR 31 HB1 TYR 31 -7.771 1.131 0.126 No H/Q in entry = 9 In of MODEL 17 1 HA CYS 32 HA CYS 32 -3.451 2.401 -0.071 2 HB2 CYS 32 HB2 CYS 32 -3.471 0.906 -2.329 3 H CYS 32 HN CYS 32 -5.685 0.925 -1.273 4 HB3 CYS 32 HB1 CYS 32 -3.845 2.489 -3.002 No H/Q in entry = 4 In of MODEL 17 1 HA THR 33 HA THR 33 -5.790 6.011 -0.785 2 HB THR 33 HB THR 33 -4.742 6.386 1.408 3 HG1 THR 33 HG1 THR 33 -5.880 8.101 0.218 4 HG21 THR 33 HG21 THR 33 -2.341 6.334 0.179 5 HG23 THR 33 HG22 THR 33 -2.632 7.027 1.775 6 HG22 THR 33 HG23 THR 33 -2.590 8.071 0.354 7 H THR 33 HN THR 33 -3.289 4.615 -0.202 No H/Q in entry = 7 In of MODEL 17 1 HA3 GLY 34 HA2 GLY 34 -1.608 6.459 -3.890 2 H GLY 34 HN GLY 34 -2.421 5.883 -1.770 3 HA2 GLY 34 HA1 GLY 34 -3.112 7.310 -4.212 No H/Q in entry = 3 In of MODEL 17 1 HA ARG 35 HA ARG 35 -0.652 10.550 -2.256 2 HB2 ARG 35 HB2 ARG 35 -2.233 10.247 -0.266 3 HG2 ARG 35 HG2 ARG 35 0.217 11.836 0.430 4 HD2 ARG 35 HD2 ARG 35 -1.867 11.571 1.954 5 HE ARG 35 HE ARG 35 -3.780 12.280 0.946 6 HH11 ARG 35 HH11 ARG 35 -1.172 14.354 -0.090 7 HH12 ARG 35 HH12 ARG 35 -2.207 15.419 -0.981 8 HH21 ARG 35 HH21 ARG 35 -5.143 13.679 -0.225 9 HH22 ARG 35 HH22 ARG 35 -4.461 15.037 -1.057 10 H ARG 35 HN ARG 35 -1.308 7.851 -1.279 11 HB3 ARG 35 HB1 ARG 35 -0.818 9.721 0.636 12 HG3 ARG 35 HG1 ARG 35 -0.953 12.367 -0.780 13 HD3 ARG 35 HD1 ARG 35 -1.186 13.174 1.680 No H/Q in entry = 13 In of MODEL 17 1 HA SER 36 HA SER 36 3.280 8.363 -1.411 2 HB2 SER 36 HB2 SER 36 2.731 9.616 0.824 3 HG SER 36 HG SER 36 4.997 8.302 1.391 4 H SER 36 HN SER 36 0.599 7.696 -0.657 5 HB3 SER 36 HB1 SER 36 2.933 8.021 1.549 No H/Q in entry = 5 In of MODEL 17 1 HA CYS 37 HA CYS 37 3.739 4.088 -1.144 2 HB2 CYS 37 HB2 CYS 37 6.495 4.889 -0.189 3 H CYS 37 HN CYS 37 4.843 6.658 -0.592 4 HB3 CYS 37 HB1 CYS 37 6.051 3.273 -0.729 No H/Q in entry = 4 In of MODEL 17 1 HA GLU 38 HA GLU 38 4.704 3.685 3.556 2 HB2 GLU 38 HB2 GLU 38 4.120 6.610 3.832 3 HG2 GLU 38 HG2 GLU 38 6.470 5.445 3.706 4 H GLU 38 HN GLU 38 4.567 5.837 1.754 5 HB3 GLU 38 HB1 GLU 38 3.911 5.547 5.216 6 HG3 GLU 38 HG1 GLU 38 6.170 6.801 4.792 No H/Q in entry = 6 In of MODEL 17 1 HA CYS 39 HA CYS 39 0.351 2.910 3.321 2 HB2 CYS 39 HB2 CYS 39 1.815 0.632 2.766 3 H CYS 39 HN CYS 39 3.133 2.188 3.587 4 HB3 CYS 39 HB1 CYS 39 0.906 0.176 4.202 No H/Q in entry = 4 In of MODEL 17 1 HA PRO 40 HA PRO 40 -0.784 3.519 7.533 2 HB2 PRO 40 HB2 PRO 40 -3.022 1.631 6.980 3 HG2 PRO 40 HG2 PRO 40 -3.804 2.820 5.137 4 HD2 PRO 40 HD2 PRO 40 -1.965 1.785 4.206 5 HB3 PRO 40 HB1 PRO 40 -3.068 3.263 7.655 6 HG3 PRO 40 HG1 PRO 40 -2.885 4.273 5.574 7 HD3 PRO 40 HD1 PRO 40 -1.462 3.468 3.949 No H/Q in entry = 7 In of MODEL 17 1 HA SER 41 HA SER 41 -0.309 -0.486 9.459 2 HB2 SER 41 HB2 SER 41 1.293 1.291 10.369 3 HG SER 41 HG SER 41 1.456 -0.967 10.874 4 H SER 41 HN SER 41 -1.445 2.225 9.525 5 HB3 SER 41 HB1 SER 41 0.193 1.424 11.741 No H/Q in entry = 5 In of MODEL 17 1 HA TYR 42 HA TYR 42 -3.967 -1.043 11.807 2 HB2 TYR 42 HB2 TYR 42 -4.457 1.828 11.302 3 HD1 TYR 42 HD1 TYR 42 -6.318 0.555 14.015 4 HD2 TYR 42 HD2 TYR 42 -2.349 1.516 12.822 5 HE1 TYR 42 HE1 TYR 42 -5.651 0.705 16.377 6 HE2 TYR 42 HE2 TYR 42 -1.670 1.668 15.181 7 HH TYR 42 HH TYR 42 -3.604 2.082 17.628 8 H TYR 42 HN TYR 42 -3.069 0.422 9.450 9 HB3 TYR 42 HB1 TYR 42 -5.874 0.890 11.765 No H/Q in entry = 9 In of MODEL 17 1 HA PRO 43 HA PRO 43 -6.751 -2.829 8.885 2 HB2 PRO 43 HB2 PRO 43 -8.753 -3.648 10.521 3 HG2 PRO 43 HG2 PRO 43 -8.214 -2.434 12.426 4 HD2 PRO 43 HD2 PRO 43 -6.145 -1.459 12.701 5 HB3 PRO 43 HB1 PRO 43 -7.176 -4.445 10.465 6 HG3 PRO 43 HG1 PRO 43 -7.287 -3.915 12.728 7 HD3 PRO 43 HD1 PRO 43 -5.280 -2.920 12.185 No H/Q in entry = 7 In of MODEL 17 1 HA3 GLY 44 HA2 GLY 44 -10.581 -0.313 9.245 2 H GLY 44 HN GLY 44 -9.425 -2.932 8.780 3 HA2 GLY 44 HA1 GLY 44 -10.316 -0.714 7.555 No H/Q in entry = 3 In of MODEL 17 1 HA ASN 45 HA ASN 45 -14.193 -2.391 10.727 2 HB2 ASN 45 HB2 ASN 45 -14.496 -2.276 7.722 3 HD21 ASN 45 HD21 ASN 45 -16.821 -0.574 9.222 4 HD22 ASN 45 HD22 ASN 45 -16.159 1.017 9.103 5 H ASN 45 HN ASN 45 -12.194 -1.358 10.402 6 HB3 ASN 45 HB1 ASN 45 -15.783 -2.392 8.918 No H/Q in entry = 6 In of MODEL 17 1 HA3 GLY 46 HA2 GLY 46 -11.628 -6.336 10.634 2 H GLY 46 HN GLY 46 -11.849 -4.011 10.415 3 HA2 GLY 46 HA1 GLY 46 -13.173 -6.538 9.823 No H/Q in entry = 3 In of MODEL 18 1 H1 ALA 1 HT1 ALA 1 10.580 10.675 -9.098 2 H2 ALA 1 HT3 ALA 1 9.608 12.075 -9.283 3 H3 ALA 1 HT2 ALA 1 9.452 10.770 -10.388 4 HA ALA 1 HA ALA 1 11.407 11.198 -11.409 5 HB1 ALA 1 HB1 ALA 1 11.408 13.852 -11.503 6 HB2 ALA 1 HB2 ALA 1 9.861 13.623 -10.688 7 HB3 ALA 1 HB3 ALA 1 10.145 12.884 -12.264 No H/Q in entry = 7 In of MODEL 18 1 HA MET 2 HA MET 2 14.216 12.635 -8.163 2 HB2 MET 2 HB2 MET 2 12.418 14.926 -7.412 3 H MET 2 HN MET 2 11.281 12.706 -8.240 4 HG2 MET 2 HG2 MET 2 14.852 14.627 -9.130 5 HE2 MET 2 HE1 MET 2 15.403 18.182 -10.242 6 HB3 MET 2 HB1 MET 2 14.021 14.756 -6.710 7 HE1 MET 2 HE2 MET 2 15.426 16.457 -10.609 8 HE3 MET 2 HE3 MET 2 16.659 17.152 -9.556 9 HG3 MET 2 HG1 MET 2 13.265 15.260 -9.562 No H/Q in entry = 9 In of MODEL 18 1 HA ASP 3 HA ASP 3 12.909 11.993 -3.818 2 HB2 ASP 3 HB2 ASP 3 11.334 13.109 -2.290 3 H ASP 3 HN ASP 3 11.715 13.676 -5.860 4 HB3 ASP 3 HB1 ASP 3 12.259 14.277 -3.229 No H/Q in entry = 4 In of MODEL 18 1 HA CYS 4 HA CYS 4 9.438 9.298 -3.830 2 HB2 CYS 4 HB2 CYS 4 10.251 7.070 -4.789 3 H CYS 4 HN CYS 4 12.259 9.989 -3.439 4 HB3 CYS 4 HB1 CYS 4 10.349 8.475 -5.844 No H/Q in entry = 4 In of MODEL 18 1 HA THR 5 HA THR 5 10.447 6.836 -0.339 2 HB THR 5 HB THR 5 8.157 5.609 0.269 3 HG1 THR 5 HG1 THR 5 7.345 6.074 -1.889 4 HG23 THR 5 HG21 THR 5 7.764 7.321 1.639 5 HG22 THR 5 HG22 THR 5 7.719 8.493 0.322 6 HG21 THR 5 HG23 THR 5 9.267 7.982 0.995 7 H THR 5 HN THR 5 8.918 7.140 -2.836 No H/Q in entry = 7 In of MODEL 18 1 HA THR 6 HA THR 6 10.369 2.531 -1.491 2 HB THR 6 HB THR 6 12.039 1.486 0.305 3 HG1 THR 6 HG1 THR 6 12.393 4.279 0.635 4 HG23 THR 6 HG21 THR 6 13.634 1.837 -1.204 5 HG22 THR 6 HG22 THR 6 13.454 3.590 -1.122 6 HG21 THR 6 HG23 THR 6 12.378 2.640 -2.147 7 H THR 6 HN THR 6 10.128 4.553 0.635 No H/Q in entry = 7 In of MODEL 18 1 HA3 GLY 7 HA2 GLY 7 8.808 -0.728 1.160 2 H GLY 7 HN GLY 7 9.393 0.596 -1.119 3 HA2 GLY 7 HA1 GLY 7 7.538 0.484 1.098 No H/Q in entry = 3 In of MODEL 18 1 HA PRO 8 HA PRO 8 6.540 -3.503 -1.381 2 HB2 PRO 8 HB2 PRO 8 4.255 -3.501 0.512 3 HG2 PRO 8 HG2 PRO 8 5.526 -3.902 2.415 4 HD2 PRO 8 HD2 PRO 8 5.986 -1.663 2.048 5 HB3 PRO 8 HB1 PRO 8 5.241 -4.850 -0.062 6 HG3 PRO 8 HG1 PRO 8 6.929 -4.442 1.473 7 HD3 PRO 8 HD1 PRO 8 7.642 -2.300 1.974 No H/Q in entry = 7 In of MODEL 18 1 HA CYS 9 HA CYS 9 2.851 -0.887 -2.353 2 HB2 CYS 9 HB2 CYS 9 2.848 0.217 0.188 3 H CYS 9 HN CYS 9 4.927 -0.612 -0.318 4 HB3 CYS 9 HB1 CYS 9 2.879 1.625 -0.867 No H/Q in entry = 4 In of MODEL 18 1 HA CYS 10 HA CYS 10 5.113 1.401 -5.259 2 HB2 CYS 10 HB2 CYS 10 6.924 2.946 -4.609 3 H CYS 10 HN CYS 10 5.430 -0.639 -3.382 4 HB3 CYS 10 HB1 CYS 10 5.611 2.944 -3.437 No H/Q in entry = 4 In of MODEL 18 1 HA ARG 11 HA ARG 11 8.464 -1.088 -6.601 2 HB2 ARG 11 HB2 ARG 11 6.652 -0.755 -8.999 3 HG2 ARG 11 HG2 ARG 11 6.854 -3.007 -7.011 4 HD2 ARG 11 HD2 ARG 11 4.768 -3.710 -8.425 5 HE ARG 11 HE ARG 11 7.132 -4.384 -9.909 6 HH11 ARG 11 HH11 ARG 11 5.377 -4.913 -6.939 7 HH12 ARG 11 HH12 ARG 11 6.096 -6.460 -6.643 8 HH21 ARG 11 HH21 ARG 11 8.078 -6.419 -9.522 9 HH22 ARG 11 HH22 ARG 11 7.630 -7.315 -8.109 10 H ARG 11 HN ARG 11 6.173 0.712 -6.991 11 HB3 ARG 11 HB1 ARG 11 7.991 -1.889 -8.887 12 HG3 ARG 11 HG1 ARG 11 5.493 -1.902 -7.206 13 HD3 ARG 11 HD1 ARG 11 5.547 -2.747 -9.680 No H/Q in entry = 13 In of MODEL 18 1 HA GLN 12 HA GLN 12 12.008 1.317 -7.476 2 HB2 GLN 12 HB2 GLN 12 11.125 0.013 -9.646 3 HG2 GLN 12 HG2 GLN 12 12.858 1.613 -10.933 4 HE21 GLN 12 HE21 GLN 12 12.776 -0.509 -8.116 5 HE22 GLN 12 HE22 GLN 12 13.931 -1.646 -8.715 6 H GLN 12 HN GLN 12 10.323 -0.003 -6.709 7 HB3 GLN 12 HB1 GLN 12 10.763 1.658 -10.151 8 HG3 GLN 12 HG1 GLN 12 13.286 1.972 -9.260 No H/Q in entry = 8 In of MODEL 18 1 HA CYS 13 HA CYS 13 9.852 4.889 -5.477 2 HB2 CYS 13 HB2 CYS 13 11.402 5.419 -8.008 3 H CYS 13 HN CYS 13 10.540 2.781 -5.978 4 HB3 CYS 13 HB1 CYS 13 10.654 6.714 -7.079 No H/Q in entry = 4 In of MODEL 18 1 HA LYS 14 HA LYS 14 6.348 5.208 -8.139 2 HB2 LYS 14 HB2 LYS 14 7.553 3.459 -9.725 3 HG2 LYS 14 HG2 LYS 14 4.664 3.599 -10.326 4 HD2 LYS 14 HD2 LYS 14 7.259 3.810 -11.714 5 HE2 LYS 14 HE2 LYS 14 5.003 4.976 -13.207 6 HZ2 LYS 14 HZ1 LYS 14 6.688 6.143 -14.285 7 HZ1 LYS 14 HZ2 LYS 14 7.383 4.633 -13.978 8 HZ3 LYS 14 HZ3 LYS 14 7.782 5.959 -13.007 9 H LYS 14 HN LYS 14 8.063 3.158 -6.918 10 HB3 LYS 14 HB1 LYS 14 6.236 2.420 -9.196 11 HG3 LYS 14 HG1 LYS 14 5.518 5.132 -10.138 12 HD3 LYS 14 HD1 LYS 14 5.745 3.074 -12.242 13 HE3 LYS 14 HE1 LYS 14 5.710 6.006 -11.964 No H/Q in entry = 13 In of MODEL 18 1 HA LEU 15 HA LEU 15 4.165 3.094 -4.789 2 HB2 LEU 15 HB2 LEU 15 2.712 4.766 -3.663 3 HG LEU 15 HG LEU 15 3.729 6.549 -5.803 4 HD13 LEU 15 HD11 LEU 15 1.490 6.417 -6.026 5 HD12 LEU 15 HD12 LEU 15 1.508 7.684 -4.800 6 HD11 LEU 15 HD13 LEU 15 1.235 6.007 -4.330 7 HD21 LEU 15 HD21 LEU 15 3.905 7.178 -2.920 8 HD23 LEU 15 HD22 LEU 15 3.200 8.415 -3.960 9 HD22 LEU 15 HD23 LEU 15 4.827 7.815 -4.282 10 H LEU 15 HN LEU 15 5.271 5.317 -6.115 11 HB3 LEU 15 HB1 LEU 15 4.421 5.156 -3.610 No H/Q in entry = 11 In of MODEL 18 1 HA LYS 16 HA LYS 16 0.960 2.050 -7.527 2 HB2 LYS 16 HB2 LYS 16 0.689 0.577 -4.970 3 HG2 LYS 16 HG2 LYS 16 0.091 -1.188 -6.903 4 HD2 LYS 16 HD2 LYS 16 2.970 -0.610 -6.752 5 HE2 LYS 16 HE2 LYS 16 1.713 -2.790 -7.374 6 HZ1 LYS 16 HZ1 LYS 16 1.429 -2.705 -4.451 7 HZ3 LYS 16 HZ2 LYS 16 1.701 -4.192 -5.209 8 HZ2 LYS 16 HZ3 LYS 16 0.343 -3.271 -5.619 9 H LYS 16 HN LYS 16 2.370 1.936 -5.113 10 HB3 LYS 16 HB1 LYS 16 -0.754 0.668 -5.970 11 HG3 LYS 16 HG1 LYS 16 1.069 -0.043 -7.824 12 HD3 LYS 16 HD1 LYS 16 2.158 -0.789 -5.195 13 HE3 LYS 16 HE1 LYS 16 3.157 -2.880 -6.366 No H/Q in entry = 13 In of MODEL 18 1 HA PRO 17 HA PRO 17 -2.270 4.988 -6.967 2 HB2 PRO 17 HB2 PRO 17 -4.484 3.706 -7.895 3 HG2 PRO 17 HG2 PRO 17 -3.670 1.533 -7.940 4 HD2 PRO 17 HD2 PRO 17 -1.413 1.071 -7.814 5 HB3 PRO 17 HB1 PRO 17 -3.203 4.311 -8.952 6 HG3 PRO 17 HG1 PRO 17 -3.210 2.068 -9.567 7 HD3 PRO 17 HD1 PRO 17 -0.991 2.333 -8.989 No H/Q in entry = 7 In of MODEL 18 1 HA ALA 18 HA ALA 18 -4.045 4.338 -3.073 2 HB2 ALA 18 HB1 ALA 18 -5.520 6.064 -2.418 3 HB3 ALA 18 HB2 ALA 18 -5.997 6.392 -4.084 4 HB1 ALA 18 HB3 ALA 18 -4.372 6.803 -3.535 5 H ALA 18 HN ALA 18 -3.777 5.672 -5.503 No H/Q in entry = 5 In of MODEL 18 1 HA3 GLY 19 HA2 GLY 19 -7.689 1.963 -2.169 2 H GLY 19 HN GLY 19 -5.431 2.866 -2.281 3 HA2 GLY 19 HA1 GLY 19 -7.798 2.185 -3.909 No H/Q in entry = 3 In of MODEL 18 1 HA THR 20 HA THR 20 -5.678 -1.541 -4.767 2 HB THR 20 HB THR 20 -2.947 -0.255 -4.577 3 HG1 THR 20 HG1 THR 20 -3.200 -0.076 -6.853 4 HG22 THR 20 HG21 THR 20 -3.739 -2.696 -6.139 5 HG21 THR 20 HG22 THR 20 -2.910 -2.740 -4.583 6 HG23 THR 20 HG23 THR 20 -2.129 -1.994 -5.978 7 H THR 20 HN THR 20 -5.037 1.154 -4.283 No H/Q in entry = 7 In of MODEL 18 1 HA THR 21 HA THR 21 -5.196 -3.059 -0.697 2 HB THR 21 HB THR 21 -6.778 -4.677 -1.517 3 HG1 THR 21 HG1 THR 21 -6.225 -6.038 -0.031 4 HG21 THR 21 HG21 THR 21 -4.914 -5.206 -3.524 5 HG23 THR 21 HG22 THR 21 -6.480 -5.978 -3.276 6 HG22 THR 21 HG23 THR 21 -5.026 -6.685 -2.570 7 H THR 21 HN THR 21 -5.755 -3.220 -3.438 No H/Q in entry = 7 In of MODEL 18 1 HA CYS 22 HA CYS 22 -0.827 -3.373 -0.964 2 HB2 CYS 22 HB2 CYS 22 -1.471 -3.412 1.992 3 H CYS 22 HN CYS 22 -3.298 -2.964 0.287 4 HB3 CYS 22 HB1 CYS 22 0.136 -3.228 1.299 No H/Q in entry = 4 In of MODEL 18 1 HA TRP 23 HA TRP 23 -1.597 -7.842 -0.234 2 HB2 TRP 23 HB2 TRP 23 -0.051 -7.131 1.643 3 HD1 TRP 23 HD1 TRP 23 0.145 -9.511 -0.215 4 HE1 TRP 23 HE1 TRP 23 0.639 -11.893 0.625 5 HE3 TRP 23 HE3 TRP 23 -1.324 -8.978 4.654 6 HZ2 TRP 23 HZ2 TRP 23 0.433 -13.353 3.032 7 HZ3 TRP 23 HZ3 TRP 23 -1.143 -10.916 6.159 8 HH2 TRP 23 HH2 TRP 23 -0.283 -13.058 5.363 9 H TRP 23 HN TRP 23 -2.918 -5.548 0.796 10 HB3 TRP 23 HB1 TRP 23 -1.363 -7.498 2.757 No H/Q in entry = 10 In of MODEL 18 1 HA ARG 24 HA ARG 24 -5.722 -8.807 1.065 2 HB2 ARG 24 HB2 ARG 24 -5.777 -8.257 -1.554 3 HG2 ARG 24 HG2 ARG 24 -8.004 -9.980 -0.570 4 HD2 ARG 24 HD2 ARG 24 -9.327 -8.096 -1.535 5 HE ARG 24 HE ARG 24 -7.951 -10.024 -3.010 6 HH11 ARG 24 HH11 ARG 24 -9.497 -6.936 -3.514 7 HH12 ARG 24 HH12 ARG 24 -9.914 -7.272 -5.160 8 HH21 ARG 24 HH21 ARG 24 -8.497 -10.467 -5.176 9 HH22 ARG 24 HH22 ARG 24 -9.346 -9.277 -6.105 10 H ARG 24 HN ARG 24 -3.534 -8.651 -0.854 11 HB3 ARG 24 HB1 ARG 24 -5.960 -10.003 -1.646 12 HG3 ARG 24 HG1 ARG 24 -7.702 -8.414 0.186 13 HD3 ARG 24 HD1 ARG 24 -7.811 -7.381 -2.083 No H/Q in entry = 13 In of MODEL 18 1 HA THR 25 HA THR 25 -5.561 -13.339 0.595 2 HB THR 25 HB THR 25 -5.729 -13.945 3.144 3 HG1 THR 25 HG1 THR 25 -5.345 -11.139 3.248 4 HG21 THR 25 HG21 THR 25 -3.622 -13.244 1.534 5 HG23 THR 25 HG22 THR 25 -3.511 -13.911 3.163 6 HG22 THR 25 HG23 THR 25 -3.450 -12.166 2.919 7 H THR 25 HN THR 25 -6.978 -10.907 1.109 No H/Q in entry = 7 In of MODEL 18 1 HA SER 26 HA SER 26 -10.171 -13.234 1.913 2 HB2 SER 26 HB2 SER 26 -8.745 -15.497 2.161 3 HG SER 26 HG SER 26 -10.687 -16.555 1.942 4 H SER 26 HN SER 26 -7.791 -12.562 3.227 5 HB3 SER 26 HB1 SER 26 -9.540 -15.493 3.736 No H/Q in entry = 5 In of MODEL 18 1 HA VAL 27 HA VAL 27 -10.824 -12.502 6.378 2 HB VAL 27 HB VAL 27 -9.717 -14.509 7.272 3 H VAL 27 HN VAL 27 -8.393 -13.337 4.951 No H/Q in entry = 3 In of MODEL 18 1 HA SER 28 HA SER 28 -7.881 -9.086 7.111 2 HB2 SER 28 HB2 SER 28 -5.397 -8.860 6.851 3 HG SER 28 HG SER 28 -5.463 -11.561 6.017 4 H SER 28 HN SER 28 -7.546 -11.583 5.591 5 HB3 SER 28 HB1 SER 28 -5.890 -10.279 7.775 No H/Q in entry = 5 In of MODEL 18 1 HA SER 29 HA SER 29 -6.714 -6.990 3.300 2 HB2 SER 29 HB2 SER 29 -9.063 -7.307 3.066 3 HG SER 29 HG SER 29 -8.765 -5.681 1.727 4 H SER 29 HN SER 29 -7.249 -7.092 6.123 5 HB3 SER 29 HB1 SER 29 -9.416 -6.183 4.378 No H/Q in entry = 5 In of MODEL 18 1 HA HIS 30 HA HIS 30 -5.891 -2.818 4.492 2 HB2 HIS 30 HB2 HIS 30 -3.255 -4.214 3.990 3 HD1 HIS 30 HD1 HIS 30 -2.458 -5.600 5.895 4 HD2 HIS 30 HD2 HIS 30 -5.690 -3.207 6.939 5 HE1 HIS 30 HE1 HIS 30 -3.082 -6.295 8.229 6 HE2 HIS 30 HE2 HIS 30 -5.094 -4.893 8.807 7 H HIS 30 HN HIS 30 -5.605 -5.192 2.815 8 HB3 HIS 30 HB1 HIS 30 -3.418 -2.611 4.699 No H/Q in entry = 8 In of MODEL 18 1 HA TYR 31 HA TYR 31 -4.949 -1.172 0.536 2 HB2 TYR 31 HB2 TYR 31 -6.957 0.736 1.753 3 HD1 TYR 31 HD1 TYR 31 -6.769 -1.841 -0.953 4 HD2 TYR 31 HD2 TYR 31 -8.931 -0.277 2.360 5 HE1 TYR 31 HE1 TYR 31 -8.542 -3.502 -1.334 6 HE2 TYR 31 HE2 TYR 31 -10.710 -1.934 1.989 7 HH TYR 31 HH TYR 31 -11.172 -3.557 -0.735 8 H TYR 31 HN TYR 31 -5.849 -0.993 3.334 9 HB3 TYR 31 HB1 TYR 31 -6.513 0.649 0.052 No H/Q in entry = 9 In of MODEL 18 1 HA CYS 32 HA CYS 32 -1.908 1.761 1.428 2 HB2 CYS 32 HB2 CYS 32 -1.873 1.101 -1.236 3 H CYS 32 HN CYS 32 -3.743 0.523 -0.359 4 HB3 CYS 32 HB1 CYS 32 -2.015 2.855 -1.296 No H/Q in entry = 4 In of MODEL 18 1 HA THR 33 HA THR 33 -3.887 5.651 1.574 2 HB THR 33 HB THR 33 -2.337 5.844 3.387 3 HG1 THR 33 HG1 THR 33 -2.091 8.215 1.859 4 HG21 THR 33 HG21 THR 33 -0.335 5.885 1.335 5 HG23 THR 33 HG22 THR 33 -0.161 5.635 3.072 6 HG22 THR 33 HG23 THR 33 -0.152 7.270 2.411 7 H THR 33 HN THR 33 -1.392 4.186 1.100 No H/Q in entry = 7 In of MODEL 18 1 HA3 GLY 34 HA2 GLY 34 -1.047 6.368 -2.709 2 H GLY 34 HN GLY 34 -1.077 5.544 -0.501 3 HA2 GLY 34 HA1 GLY 34 -2.397 7.420 -2.311 No H/Q in entry = 3 In of MODEL 18 1 HA ARG 35 HA ARG 35 1.421 9.753 -1.340 2 HB2 ARG 35 HB2 ARG 35 0.508 9.203 1.454 3 HG2 ARG 35 HG2 ARG 35 0.130 11.802 1.140 4 HD2 ARG 35 HD2 ARG 35 -1.580 9.594 0.016 5 HE ARG 35 HE ARG 35 -2.846 11.318 -0.783 6 HH11 ARG 35 HH11 ARG 35 -1.544 12.239 2.321 7 HH12 ARG 35 HH12 ARG 35 -2.461 13.705 2.411 8 HH21 ARG 35 HH21 ARG 35 -4.053 13.246 -0.667 9 HH22 ARG 35 HH22 ARG 35 -3.886 14.277 0.715 10 H ARG 35 HN ARG 35 0.409 7.223 -0.257 11 HB3 ARG 35 HB1 ARG 35 1.839 10.322 1.192 12 HG3 ARG 35 HG1 ARG 35 0.127 11.341 -0.564 13 HD3 ARG 35 HD1 ARG 35 -1.671 10.313 1.623 No H/Q in entry = 13 In of MODEL 18 1 HA SER 36 HA SER 36 4.808 7.067 0.056 2 HB2 SER 36 HB2 SER 36 4.119 6.532 2.930 3 HG SER 36 HG SER 36 3.700 8.560 3.207 4 H SER 36 HN SER 36 2.001 7.082 0.906 5 HB3 SER 36 HB1 SER 36 5.666 7.006 2.228 No H/Q in entry = 5 In of MODEL 18 1 HA CYS 37 HA CYS 37 4.331 2.792 -0.165 2 HB2 CYS 37 HB2 CYS 37 7.073 2.609 1.076 3 H CYS 37 HN CYS 37 5.914 4.998 0.705 4 HB3 CYS 37 HB1 CYS 37 6.332 1.513 -0.085 No H/Q in entry = 4 In of MODEL 18 1 HA GLU 38 HA GLU 38 5.026 1.775 4.531 2 HB2 GLU 38 HB2 GLU 38 4.650 4.709 5.044 3 HG2 GLU 38 HG2 GLU 38 6.475 3.953 6.807 4 H GLU 38 HN GLU 38 5.311 4.035 2.931 5 HB3 GLU 38 HB1 GLU 38 4.316 3.533 6.307 6 HG3 GLU 38 HG1 GLU 38 6.734 2.683 5.612 No H/Q in entry = 6 In of MODEL 18 1 HA CYS 39 HA CYS 39 0.617 1.647 4.270 2 HB2 CYS 39 HB2 CYS 39 1.060 0.455 2.174 3 H CYS 39 HN CYS 39 3.304 0.475 4.052 4 HB3 CYS 39 HB1 CYS 39 1.487 -0.995 3.078 No H/Q in entry = 4 In of MODEL 18 1 HA PRO 40 HA PRO 40 1.057 -0.560 8.282 2 HB2 PRO 40 HB2 PRO 40 -0.654 1.070 9.624 3 HG2 PRO 40 HG2 PRO 40 -1.326 2.439 7.873 4 HD2 PRO 40 HD2 PRO 40 -0.166 2.530 5.882 5 HB3 PRO 40 HB1 PRO 40 1.056 1.450 9.394 6 HG3 PRO 40 HG1 PRO 40 0.088 3.342 8.449 7 HD3 PRO 40 HD1 PRO 40 1.409 2.639 6.694 No H/Q in entry = 7 In of MODEL 18 1 HA SER 41 HA SER 41 -2.882 -2.435 8.108 2 HB2 SER 41 HB2 SER 41 -3.233 -3.768 10.387 3 HG SER 41 HG SER 41 -1.745 -2.858 11.686 4 H SER 41 HN SER 41 -0.780 -1.305 9.799 5 HB3 SER 41 HB1 SER 41 -1.975 -4.221 9.238 No H/Q in entry = 5 In of MODEL 18 1 HA TYR 42 HA TYR 42 -5.378 0.268 10.648 2 HB2 TYR 42 HB2 TYR 42 -3.661 2.084 9.742 3 HD1 TYR 42 HD1 TYR 42 -3.525 3.815 11.287 4 HD2 TYR 42 HD2 TYR 42 -7.321 2.087 10.448 5 HE1 TYR 42 HE1 TYR 42 -4.526 5.150 13.093 6 HE2 TYR 42 HE2 TYR 42 -8.333 3.418 12.251 7 HH TYR 42 HH TYR 42 -7.672 4.567 14.285 8 H TYR 42 HN TYR 42 -3.664 -0.035 8.277 9 HB3 TYR 42 HB1 TYR 42 -5.013 2.488 8.688 No H/Q in entry = 9 In of MODEL 18 1 HA PRO 43 HA PRO 43 -8.292 -0.923 7.245 2 HB2 PRO 43 HB2 PRO 43 -9.890 -2.459 8.812 3 HG2 PRO 43 HG2 PRO 43 -8.833 -2.149 10.856 4 HD2 PRO 43 HD2 PRO 43 -6.701 -1.287 11.006 5 HB3 PRO 43 HB1 PRO 43 -8.426 -3.077 8.039 6 HG3 PRO 43 HG1 PRO 43 -7.953 -3.569 10.262 7 HD3 PRO 43 HD1 PRO 43 -6.081 -2.339 9.717 No H/Q in entry = 7 In of MODEL 18 1 HA3 GLY 44 HA2 GLY 44 -11.472 1.709 8.611 2 H GLY 44 HN GLY 44 -10.818 -0.869 7.417 3 HA2 GLY 44 HA1 GLY 44 -12.450 0.819 7.454 No H/Q in entry = 3 In of MODEL 18 1 HA ASN 45 HA ASN 45 -14.395 -0.301 11.253 2 HB2 ASN 45 HB2 ASN 45 -16.532 1.360 9.901 3 HD21 ASN 45 HD21 ASN 45 -15.611 3.250 9.457 4 HD22 ASN 45 HD22 ASN 45 -14.692 4.196 10.572 5 H ASN 45 HN ASN 45 -14.361 0.898 8.569 6 HB3 ASN 45 HB1 ASN 45 -16.550 0.793 11.569 No H/Q in entry = 6 In of MODEL 18 1 HA3 GLY 46 HA2 GLY 46 -15.769 -4.011 9.322 2 H GLY 46 HN GLY 46 -14.189 -1.872 8.832 3 HA2 GLY 46 HA1 GLY 46 -16.806 -2.995 8.332 No H/Q in entry = 3 In of MODEL 19 1 H1 ALA 1 HT2 ALA 1 14.047 16.045 -0.748 2 H2 ALA 1 HT1 ALA 1 14.912 15.208 0.475 3 H3 ALA 1 HT3 ALA 1 14.833 16.919 0.503 4 HA ALA 1 HA ALA 1 16.254 17.172 -1.211 5 HB1 ALA 1 HB1 ALA 1 17.112 15.863 0.936 6 HB3 ALA 1 HB2 ALA 1 18.171 16.242 -0.423 7 HB2 ALA 1 HB3 ALA 1 17.464 14.632 -0.278 No H/Q in entry = 7 In of MODEL 19 1 HA MET 2 HA MET 2 15.065 13.749 -4.014 2 HB2 MET 2 HB2 MET 2 17.443 13.014 -3.157 3 H MET 2 HN MET 2 15.257 13.760 -1.117 4 HG2 MET 2 HG2 MET 2 15.819 11.560 -5.214 5 HE2 MET 2 HE1 MET 2 17.957 8.875 -6.617 6 HB3 MET 2 HB1 MET 2 16.620 11.503 -2.796 7 HE1 MET 2 HE2 MET 2 17.006 10.249 -7.181 8 HE3 MET 2 HE3 MET 2 16.373 9.199 -5.914 9 HG3 MET 2 HG1 MET 2 17.030 12.817 -5.457 No H/Q in entry = 9 In of MODEL 19 1 HA ASP 3 HA ASP 3 11.871 11.332 -1.897 2 HB2 ASP 3 HB2 ASP 3 9.632 12.030 -2.809 3 H ASP 3 HN ASP 3 12.821 13.571 -3.374 4 HB3 ASP 3 HB1 ASP 3 10.509 13.303 -1.965 No H/Q in entry = 4 In of MODEL 19 1 HA CYS 4 HA CYS 4 10.272 9.059 -5.539 2 HB2 CYS 4 HB2 CYS 4 12.689 8.634 -5.213 3 H CYS 4 HN CYS 4 10.350 9.711 -2.815 4 HB3 CYS 4 HB1 CYS 4 12.298 7.455 -3.966 No H/Q in entry = 4 In of MODEL 19 1 HA THR 5 HA THR 5 8.946 6.402 -1.117 2 HB THR 5 HB THR 5 6.844 6.471 -3.211 3 HG1 THR 5 HG1 THR 5 7.820 8.768 -1.888 4 HG22 THR 5 HG21 THR 5 5.907 7.526 -0.812 5 HG21 THR 5 HG22 THR 5 6.988 6.209 -0.358 6 HG23 THR 5 HG23 THR 5 5.638 5.905 -1.450 7 H THR 5 HN THR 5 10.325 7.816 -2.244 No H/Q in entry = 7 In of MODEL 19 1 HA THR 6 HA THR 6 9.031 2.631 -3.358 2 HB THR 6 HB THR 6 11.114 1.363 -2.747 3 HG1 THR 6 HG1 THR 6 12.234 1.968 -1.093 4 HG21 THR 6 HG21 THR 6 10.907 3.660 -4.276 5 HG23 THR 6 HG22 THR 6 12.232 2.496 -4.283 6 HG22 THR 6 HG23 THR 6 12.323 3.929 -3.259 7 H THR 6 HN THR 6 9.557 4.349 -1.029 No H/Q in entry = 7 In of MODEL 19 1 HA3 GLY 7 HA2 GLY 7 8.592 -0.930 -0.547 2 H GLY 7 HN GLY 7 8.571 0.430 -2.889 3 HA2 GLY 7 HA1 GLY 7 7.174 0.095 -0.384 No H/Q in entry = 3 In of MODEL 19 1 HA PRO 8 HA PRO 8 6.107 -3.871 -2.692 2 HB2 PRO 8 HB2 PRO 8 4.328 -4.862 -0.911 3 HG2 PRO 8 HG2 PRO 8 4.427 -3.198 0.706 4 HD2 PRO 8 HD2 PRO 8 6.139 -1.661 0.760 5 HB3 PRO 8 HB1 PRO 8 6.061 -5.197 -0.811 6 HG3 PRO 8 HG1 PRO 8 5.698 -4.284 1.298 7 HD3 PRO 8 HD1 PRO 8 7.391 -2.904 0.568 No H/Q in entry = 7 In of MODEL 19 1 HA CYS 9 HA CYS 9 1.922 -1.891 -2.691 2 HB2 CYS 9 HB2 CYS 9 2.159 -1.105 -0.083 3 H CYS 9 HN CYS 9 4.270 -1.397 -1.029 4 HB3 CYS 9 HB1 CYS 9 1.890 0.436 -0.890 No H/Q in entry = 4 In of MODEL 19 1 HA CYS 10 HA CYS 10 3.054 1.069 -5.633 2 HB2 CYS 10 HB2 CYS 10 4.964 2.669 -5.227 3 H CYS 10 HN CYS 10 4.059 -1.122 -4.206 4 HB3 CYS 10 HB1 CYS 10 3.829 2.506 -3.892 No H/Q in entry = 4 In of MODEL 19 1 HA ARG 11 HA ARG 11 6.163 -0.545 -8.238 2 HB2 ARG 11 HB2 ARG 11 5.875 0.249 -10.505 3 HG2 ARG 11 HG2 ARG 11 4.545 2.637 -9.256 4 HD2 ARG 11 HD2 ARG 11 4.404 3.092 -11.907 5 HE ARG 11 HE ARG 11 2.463 2.356 -9.958 6 HH11 ARG 11 HH11 ARG 11 2.921 2.877 -13.379 7 HH12 ARG 11 HH12 ARG 11 1.261 3.275 -13.667 8 HH21 ARG 11 HH21 ARG 11 0.279 2.880 -10.336 9 HH22 ARG 11 HH22 ARG 11 -0.239 3.278 -11.940 10 H ARG 11 HN ARG 11 4.551 1.758 -7.403 11 HB3 ARG 11 HB1 ARG 11 4.307 0.172 -9.715 12 HG3 ARG 11 HG1 ARG 11 5.944 2.614 -10.332 13 HD3 ARG 11 HD1 ARG 11 4.138 1.349 -11.878 No H/Q in entry = 13 In of MODEL 19 1 HA GLN 12 HA GLN 12 9.958 1.481 -8.690 2 HB2 GLN 12 HB2 GLN 12 9.657 0.554 -11.182 3 HG2 GLN 12 HG2 GLN 12 11.809 1.283 -9.705 4 HE21 GLN 12 HE21 GLN 12 12.235 2.013 -13.083 5 HE22 GLN 12 HE22 GLN 12 12.908 3.589 -12.863 6 H GLN 12 HN GLN 12 7.771 0.558 -10.141 7 HB3 GLN 12 HB1 GLN 12 9.753 2.271 -11.549 8 HG3 GLN 12 HG1 GLN 12 11.881 0.618 -11.336 No H/Q in entry = 8 In of MODEL 19 1 HA CYS 13 HA CYS 13 9.171 5.399 -6.788 2 HB2 CYS 13 HB2 CYS 13 10.961 5.404 -8.812 3 H CYS 13 HN CYS 13 9.358 3.211 -7.375 4 HB3 CYS 13 HB1 CYS 13 9.716 6.433 -9.510 No H/Q in entry = 4 In of MODEL 19 1 HA LYS 14 HA LYS 14 5.140 6.542 -7.769 2 HB2 LYS 14 HB2 LYS 14 5.666 4.534 -9.857 3 HG2 LYS 14 HG2 LYS 14 4.899 7.375 -9.685 4 HD2 LYS 14 HD2 LYS 14 4.431 7.006 -12.295 5 HE2 LYS 14 HE2 LYS 14 3.015 8.291 -10.791 6 HZ1 LYS 14 HZ1 LYS 14 2.847 6.562 -9.037 7 HZ3 LYS 14 HZ2 LYS 14 1.753 5.722 -10.015 8 HZ2 LYS 14 HZ3 LYS 14 1.364 7.267 -9.447 9 H LYS 14 HN LYS 14 6.809 4.408 -7.037 10 HB3 LYS 14 HB1 LYS 14 3.962 4.857 -9.568 11 HG3 LYS 14 HG1 LYS 14 6.040 6.566 -10.760 12 HD3 LYS 14 HD1 LYS 14 3.755 5.501 -11.668 13 HE3 LYS 14 HE1 LYS 14 2.046 7.233 -11.815 No H/Q in entry = 13 In of MODEL 19 1 HA LEU 15 HA LEU 15 2.965 3.847 -5.075 2 HB2 LEU 15 HB2 LEU 15 1.332 5.275 -3.752 3 HG LEU 15 HG LEU 15 1.667 7.205 -5.641 4 HD12 LEU 15 HD11 LEU 15 0.970 8.727 -3.552 5 HD11 LEU 15 HD12 LEU 15 0.716 7.131 -2.847 6 HD13 LEU 15 HD13 LEU 15 -0.130 7.586 -4.326 7 HD22 LEU 15 HD21 LEU 15 3.700 8.112 -5.333 8 HD21 LEU 15 HD22 LEU 15 3.861 7.456 -3.704 9 HD23 LEU 15 HD23 LEU 15 2.930 8.929 -3.973 10 H LEU 15 HN LEU 15 3.587 6.381 -6.305 11 HB3 LEU 15 HB1 LEU 15 3.037 5.631 -3.560 No H/Q in entry = 11 In of MODEL 19 1 HA LYS 16 HA LYS 16 -0.419 3.029 -7.662 2 HB2 LYS 16 HB2 LYS 16 -0.488 1.026 -5.416 3 HG2 LYS 16 HG2 LYS 16 0.010 0.682 -8.366 4 HD2 LYS 16 HD2 LYS 16 0.809 -1.353 -6.384 5 HE2 LYS 16 HE2 LYS 16 0.779 -1.233 -9.082 6 HZ3 LYS 16 HZ1 LYS 16 -1.542 -2.952 -8.468 7 HZ2 LYS 16 HZ2 LYS 16 -0.990 -2.419 -9.975 8 HZ1 LYS 16 HZ3 LYS 16 -1.747 -1.334 -8.922 9 H LYS 16 HN LYS 16 1.149 2.646 -5.305 10 HB3 LYS 16 HB1 LYS 16 -1.706 1.029 -6.684 11 HG3 LYS 16 HG1 LYS 16 1.259 0.740 -7.120 12 HD3 LYS 16 HD1 LYS 16 -0.924 -1.197 -6.680 13 HE3 LYS 16 HE1 LYS 16 0.741 -2.734 -8.157 No H/Q in entry = 13 In of MODEL 19 1 HA PRO 17 HA PRO 17 -3.997 5.250 -6.408 2 HB2 PRO 17 HB2 PRO 17 -5.643 2.835 -6.996 3 HG2 PRO 17 HG2 PRO 17 -4.836 2.597 -9.166 4 HD2 PRO 17 HD2 PRO 17 -3.044 1.768 -7.974 5 HB3 PRO 17 HB1 PRO 17 -5.827 4.492 -7.583 6 HG3 PRO 17 HG1 PRO 17 -4.177 4.244 -9.196 7 HD3 PRO 17 HD1 PRO 17 -2.211 3.121 -8.766 No H/Q in entry = 7 In of MODEL 19 1 HA ALA 18 HA ALA 18 -4.667 4.131 -2.274 2 HB1 ALA 18 HB1 ALA 18 -5.403 6.553 -2.454 3 HB2 ALA 18 HB2 ALA 18 -6.117 5.607 -1.148 4 HB3 ALA 18 HB3 ALA 18 -7.047 5.936 -2.610 5 H ALA 18 HN ALA 18 -5.199 5.608 -4.594 No H/Q in entry = 5 In of MODEL 19 1 HA3 GLY 19 HA2 GLY 19 -7.336 0.918 -0.869 2 H GLY 19 HN GLY 19 -5.518 2.321 -1.477 3 HA2 GLY 19 HA1 GLY 19 -8.261 1.583 -2.206 No H/Q in entry = 3 In of MODEL 19 1 HA THR 20 HA THR 20 -5.884 -1.592 -4.375 2 HB THR 20 HB THR 20 -3.096 -0.532 -3.870 3 HG1 THR 20 HG1 THR 20 -5.045 0.085 -5.824 4 HG22 THR 20 HG21 THR 20 -3.018 -1.489 -6.372 5 HG21 THR 20 HG22 THR 20 -4.119 -2.651 -5.632 6 HG23 THR 20 HG23 THR 20 -2.509 -2.407 -4.954 7 H THR 20 HN THR 20 -4.956 0.424 -2.463 No H/Q in entry = 7 In of MODEL 19 1 HA THR 21 HA THR 21 -5.259 -4.521 -1.157 2 HB THR 21 HB THR 21 -5.672 -6.838 -2.398 3 HG1 THR 21 HG1 THR 21 -5.811 -6.117 -4.472 4 HG23 THR 21 HG21 THR 21 -7.205 -6.254 -0.747 5 HG22 THR 21 HG22 THR 21 -8.177 -6.411 -2.210 6 HG21 THR 21 HG23 THR 21 -7.730 -4.811 -1.615 7 H THR 21 HN THR 21 -6.136 -3.590 -3.648 No H/Q in entry = 7 In of MODEL 19 1 HA CYS 22 HA CYS 22 -1.333 -5.976 -2.490 2 HB2 CYS 22 HB2 CYS 22 0.452 -4.813 -1.307 3 H CYS 22 HN CYS 22 -3.237 -4.861 -0.535 4 HB3 CYS 22 HB1 CYS 22 -0.780 -3.665 -1.821 No H/Q in entry = 4 In of MODEL 19 1 HA TRP 23 HA TRP 23 -0.966 -8.522 1.259 2 HB2 TRP 23 HB2 TRP 23 -0.372 -6.378 2.680 3 HD1 TRP 23 HD1 TRP 23 1.131 -8.987 2.202 4 HE1 TRP 23 HE1 TRP 23 2.036 -10.422 4.137 5 HE3 TRP 23 HE3 TRP 23 -1.901 -7.294 5.955 6 HZ2 TRP 23 HZ2 TRP 23 1.531 -10.788 6.891 7 HZ3 TRP 23 HZ3 TRP 23 -1.625 -8.238 8.210 8 HH2 TRP 23 HH2 TRP 23 0.056 -9.949 8.666 9 H TRP 23 HN TRP 23 -2.359 -5.951 0.891 10 HB3 TRP 23 HB1 TRP 23 -1.807 -6.845 3.588 No H/Q in entry = 10 In of MODEL 19 1 HA ARG 24 HA ARG 24 -4.510 -10.308 3.202 2 HB2 ARG 24 HB2 ARG 24 -5.500 -9.071 1.326 3 HG2 ARG 24 HG2 ARG 24 -6.432 -11.788 1.993 4 HD2 ARG 24 HD2 ARG 24 -8.351 -11.549 0.431 5 HE ARG 24 HE ARG 24 -5.782 -12.420 -0.324 6 HH11 ARG 24 HH11 ARG 24 -8.858 -11.551 -1.725 7 HH12 ARG 24 HH12 ARG 24 -8.660 -12.576 -3.106 8 HH21 ARG 24 HH21 ARG 24 -5.520 -13.769 -2.140 9 HH22 ARG 24 HH22 ARG 24 -6.765 -13.836 -3.342 10 H ARG 24 HN ARG 24 -2.182 -10.255 1.641 11 HB3 ARG 24 HB1 ARG 24 -5.013 -10.349 0.221 12 HG3 ARG 24 HG1 ARG 24 -7.263 -10.236 2.115 13 HD3 ARG 24 HD1 ARG 24 -7.490 -10.229 -0.359 No H/Q in entry = 13 In of MODEL 19 1 HA THR 25 HA THR 25 -3.209 -14.429 2.371 2 HB THR 25 HB THR 25 -3.125 -15.585 4.718 3 HG1 THR 25 HG1 THR 25 -4.311 -13.774 5.676 4 HG22 THR 25 HG21 THR 25 -1.072 -13.770 5.134 5 HG21 THR 25 HG22 THR 25 -1.279 -13.824 3.383 6 HG23 THR 25 HG23 THR 25 -0.975 -15.311 4.281 7 H THR 25 HN THR 25 -4.197 -12.252 4.056 No H/Q in entry = 7 In of MODEL 19 1 HA SER 26 HA SER 26 -7.779 -15.094 3.000 2 HB2 SER 26 HB2 SER 26 -6.329 -16.818 4.393 3 HG SER 26 HG SER 26 -9.020 -17.306 4.770 4 H SER 26 HN SER 26 -5.932 -13.526 4.396 5 HB3 SER 26 HB1 SER 26 -7.398 -16.314 5.701 No H/Q in entry = 5 In of MODEL 19 1 HA VAL 27 HA VAL 27 -9.688 -12.726 6.379 2 HB VAL 27 HB VAL 27 -9.058 -14.260 8.191 3 H VAL 27 HN VAL 27 -6.921 -13.705 6.120 No H/Q in entry = 3 In of MODEL 19 1 HA SER 28 HA SER 28 -6.589 -9.262 7.551 2 HB2 SER 28 HB2 SER 28 -4.450 -10.693 7.453 3 HG SER 28 HG SER 28 -3.851 -8.777 8.088 4 H SER 28 HN SER 28 -6.280 -11.912 6.647 5 HB3 SER 28 HB1 SER 28 -4.331 -10.171 5.773 No H/Q in entry = 5 In of MODEL 19 1 HA SER 29 HA SER 29 -7.823 -7.909 3.501 2 HB2 SER 29 HB2 SER 29 -10.163 -7.673 5.333 3 HG SER 29 HG SER 29 -9.661 -8.707 2.749 4 H SER 29 HN SER 29 -8.238 -8.271 6.375 5 HB3 SER 29 HB1 SER 29 -10.143 -6.654 3.894 No H/Q in entry = 5 In of MODEL 19 1 HA HIS 30 HA HIS 30 -6.556 -3.877 4.973 2 HB2 HIS 30 HB2 HIS 30 -4.116 -5.460 4.499 3 HD1 HIS 30 HD1 HIS 30 -3.425 -2.319 6.124 4 HD2 HIS 30 HD2 HIS 30 -5.145 -5.932 7.243 5 HE1 HIS 30 HE1 HIS 30 -3.357 -2.346 8.638 6 HE2 HIS 30 HE2 HIS 30 -4.327 -4.578 9.289 7 H HIS 30 HN HIS 30 -5.961 -6.516 3.870 8 HB3 HIS 30 HB1 HIS 30 -3.954 -3.740 4.165 No H/Q in entry = 8 In of MODEL 19 1 HA TYR 31 HA TYR 31 -5.595 -2.399 0.785 2 HB2 TYR 31 HB2 TYR 31 -6.981 -0.167 2.284 3 HD1 TYR 31 HD1 TYR 31 -7.881 -2.920 -0.084 4 HD2 TYR 31 HD2 TYR 31 -8.798 -0.854 3.520 5 HE1 TYR 31 HE1 TYR 31 -9.882 -4.320 0.202 6 HE2 TYR 31 HE2 TYR 31 -10.801 -2.249 3.817 7 HH TYR 31 HH TYR 31 -12.032 -4.248 1.347 8 H TYR 31 HN TYR 31 -5.246 -2.083 3.657 9 HB3 TYR 31 HB1 TYR 31 -7.027 -0.459 0.548 No H/Q in entry = 9 In of MODEL 19 1 HA CYS 32 HA CYS 32 -2.056 0.046 0.620 2 HB2 CYS 32 HB2 CYS 32 -2.979 -0.279 -1.890 3 H CYS 32 HN CYS 32 -4.486 -0.835 -0.455 4 HB3 CYS 32 HB1 CYS 32 -3.099 1.473 -1.762 No H/Q in entry = 4 In of MODEL 19 1 HA THR 33 HA THR 33 -3.028 3.739 2.622 2 HB THR 33 HB THR 33 -1.095 5.318 2.719 3 HG1 THR 33 HG1 THR 33 0.224 3.385 1.124 4 HG22 THR 33 HG21 THR 33 0.608 3.451 3.508 5 HG21 THR 33 HG22 THR 33 -0.848 2.459 3.430 6 HG23 THR 33 HG23 THR 33 -0.813 3.895 4.453 7 H THR 33 HN THR 33 -1.285 2.077 1.193 No H/Q in entry = 7 In of MODEL 19 1 HA3 GLY 34 HA2 GLY 34 -2.869 5.052 -2.421 2 H GLY 34 HN GLY 34 -1.703 4.010 -0.640 3 HA2 GLY 34 HA1 GLY 34 -3.777 5.989 -1.244 No H/Q in entry = 3 In of MODEL 19 1 HA ARG 35 HA ARG 35 -0.280 8.702 -1.671 2 HB2 ARG 35 HB2 ARG 35 -1.663 9.338 0.479 3 HG2 ARG 35 HG2 ARG 35 0.877 10.877 0.227 4 HD2 ARG 35 HD2 ARG 35 -1.008 12.690 0.047 5 HE ARG 35 HE ARG 35 -0.933 11.770 2.756 6 HH11 ARG 35 HH11 ARG 35 0.961 13.213 0.205 7 HH12 ARG 35 HH12 ARG 35 2.076 13.972 1.291 8 HH21 ARG 35 HH21 ARG 35 0.532 12.767 4.186 9 HH22 ARG 35 HH22 ARG 35 1.833 13.719 3.551 10 H ARG 35 HN ARG 35 -1.293 6.688 0.225 11 HB3 ARG 35 HB1 ARG 35 -0.123 9.090 1.289 12 HG3 ARG 35 HG1 ARG 35 -0.270 10.855 -1.114 13 HD3 ARG 35 HD1 ARG 35 -2.004 11.426 0.767 No H/Q in entry = 13 In of MODEL 19 1 HA SER 36 HA SER 36 3.411 6.872 0.277 2 HB2 SER 36 HB2 SER 36 1.946 6.050 2.748 3 HG SER 36 HG SER 36 4.279 7.609 2.328 4 H SER 36 HN SER 36 0.560 6.413 0.852 5 HB3 SER 36 HB1 SER 36 3.587 5.453 2.507 No H/Q in entry = 5 In of MODEL 19 1 HA CYS 37 HA CYS 37 3.713 2.781 -1.098 2 HB2 CYS 37 HB2 CYS 37 6.365 3.402 0.121 3 H CYS 37 HN CYS 37 4.747 4.800 0.695 4 HB3 CYS 37 HB1 CYS 37 6.074 1.761 -0.445 No H/Q in entry = 4 In of MODEL 19 1 HA GLU 38 HA GLU 38 4.266 0.588 3.206 2 HB2 GLU 38 HB2 GLU 38 2.931 2.996 4.444 3 HG2 GLU 38 HG2 GLU 38 5.328 1.824 5.658 4 H GLU 38 HN GLU 38 4.114 3.216 2.311 5 HB3 GLU 38 HB1 GLU 38 3.145 1.466 5.284 6 HG3 GLU 38 HG1 GLU 38 5.581 2.584 4.087 No H/Q in entry = 6 In of MODEL 19 1 HA CYS 39 HA CYS 39 0.365 -0.906 1.989 2 HB2 CYS 39 HB2 CYS 39 2.000 -3.020 3.251 3 H CYS 39 HN CYS 39 2.876 -1.064 3.333 4 HB3 CYS 39 HB1 CYS 39 0.265 -3.317 3.223 No H/Q in entry = 4 In of MODEL 19 1 HA PRO 40 HA PRO 40 -1.574 -1.605 6.336 2 HB2 PRO 40 HB2 PRO 40 0.037 -1.512 8.512 3 HG2 PRO 40 HG2 PRO 40 2.076 -1.132 7.468 4 HD2 PRO 40 HD2 PRO 40 2.364 -1.467 5.209 5 HB3 PRO 40 HB1 PRO 40 -0.259 -3.001 7.606 6 HG3 PRO 40 HG1 PRO 40 2.062 -2.905 7.487 7 HD3 PRO 40 HD1 PRO 40 1.564 -3.051 5.243 No H/Q in entry = 7 In of MODEL 19 1 HA SER 41 HA SER 41 -1.445 2.273 8.525 2 HB2 SER 41 HB2 SER 41 -1.975 4.031 6.888 3 HG SER 41 HG SER 41 -2.534 1.878 5.123 4 H SER 41 HN SER 41 -2.626 0.037 7.317 5 HB3 SER 41 HB1 SER 41 -0.804 2.887 6.231 No H/Q in entry = 5 In of MODEL 19 1 HA TYR 42 HA TYR 42 -5.095 1.607 11.031 2 HB2 TYR 42 HB2 TYR 42 -5.663 3.800 9.026 3 HD1 TYR 42 HD1 TYR 42 -3.387 4.713 9.060 4 HD2 TYR 42 HD2 TYR 42 -5.612 4.192 12.648 5 HE1 TYR 42 HE1 TYR 42 -1.814 6.189 10.242 6 HE2 TYR 42 HE2 TYR 42 -4.047 5.667 13.840 7 HH TYR 42 HH TYR 42 -2.329 7.726 12.835 8 H TYR 42 HN TYR 42 -3.084 1.472 9.977 9 HB3 TYR 42 HB1 TYR 42 -6.536 3.517 10.528 No H/Q in entry = 9 In of MODEL 19 1 HA PRO 43 HA PRO 43 -6.926 -1.316 7.965 2 HB2 PRO 43 HB2 PRO 43 -8.127 -2.175 10.556 3 HG2 PRO 43 HG2 PRO 43 -6.080 -2.733 11.513 4 HD2 PRO 43 HD2 PRO 43 -5.982 -0.436 11.681 5 HB3 PRO 43 HB1 PRO 43 -7.430 -3.153 9.259 6 HG3 PRO 43 HG1 PRO 43 -5.251 -2.750 9.945 7 HD3 PRO 43 HD1 PRO 43 -4.561 -0.666 10.642 No H/Q in entry = 7 In of MODEL 19 1 HA3 GLY 44 HA2 GLY 44 -11.020 0.433 9.293 2 H GLY 44 HN GLY 44 -8.355 0.704 10.447 3 HA2 GLY 44 HA1 GLY 44 -10.600 1.335 10.741 No H/Q in entry = 3 In of MODEL 19 1 HA ASN 45 HA ASN 45 -11.085 4.126 7.089 2 HB2 ASN 45 HB2 ASN 45 -8.208 3.377 6.902 3 HD21 ASN 45 HD21 ASN 45 -6.893 4.927 7.900 4 HD22 ASN 45 HD22 ASN 45 -7.546 6.093 8.995 5 H ASN 45 HN ASN 45 -10.359 1.375 7.210 6 HB3 ASN 45 HB1 ASN 45 -8.807 4.601 5.787 No H/Q in entry = 6 In of MODEL 19 1 HA3 GLY 46 HA2 GLY 46 -11.935 2.365 3.175 2 H GLY 46 HN GLY 46 -12.153 4.414 5.241 3 HA2 GLY 46 HA1 GLY 46 -13.190 3.588 3.299 No H/Q in entry = 3 In of MODEL 20 1 H1 ALA 1 HT3 ALA 1 15.510 14.072 1.023 2 H2 ALA 1 HT2 ALA 1 14.892 15.508 1.732 3 H3 ALA 1 HT1 ALA 1 14.969 14.059 2.650 4 HA ALA 1 HA ALA 1 12.787 14.220 2.080 5 HB3 ALA 1 HB1 ALA 1 12.074 14.704 -0.265 6 HB1 ALA 1 HB2 ALA 1 13.758 15.071 -0.641 7 HB2 ALA 1 HB3 ALA 1 12.887 16.043 0.544 No H/Q in entry = 7 In of MODEL 20 1 HA MET 2 HA MET 2 12.600 10.088 0.915 2 HB2 MET 2 HB2 MET 2 9.992 10.894 -0.382 3 H MET 2 HN MET 2 11.426 12.630 0.974 4 HG2 MET 2 HG2 MET 2 10.526 11.342 2.229 5 HE2 MET 2 HE1 MET 2 8.071 7.546 2.701 6 HB3 MET 2 HB1 MET 2 10.456 9.280 0.139 7 HE1 MET 2 HE2 MET 2 7.910 8.755 1.427 8 HE3 MET 2 HE3 MET 2 7.504 9.169 3.092 9 HG3 MET 2 HG1 MET 2 8.930 10.974 1.579 No H/Q in entry = 9 In of MODEL 20 1 HA ASP 3 HA ASP 3 14.183 10.198 -3.147 2 HB2 ASP 3 HB2 ASP 3 15.061 7.743 -1.710 3 H ASP 3 HN ASP 3 13.616 8.966 -0.619 4 HB3 ASP 3 HB1 ASP 3 15.242 7.765 -3.462 No H/Q in entry = 4 In of MODEL 20 1 HA CYS 4 HA CYS 4 10.291 9.655 -5.312 2 HB2 CYS 4 HB2 CYS 4 12.605 8.184 -6.138 3 H CYS 4 HN CYS 4 11.984 10.323 -3.950 4 HB3 CYS 4 HB1 CYS 4 11.191 7.147 -6.297 No H/Q in entry = 4 In of MODEL 20 1 HA THR 5 HA THR 5 7.716 6.925 -3.219 2 HB THR 5 HB THR 5 6.292 5.446 -4.943 3 HG1 THR 5 HG1 THR 5 6.170 6.490 -6.921 4 HG22 THR 5 HG21 THR 5 4.728 7.283 -5.211 5 HG21 THR 5 HG22 THR 5 5.961 8.424 -4.673 6 HG23 THR 5 HG23 THR 5 5.340 7.206 -3.558 7 H THR 5 HN THR 5 8.644 7.921 -5.672 No H/Q in entry = 7 In of MODEL 20 1 HA THR 6 HA THR 6 9.952 3.126 -3.605 2 HB THR 6 HB THR 6 11.795 2.981 -1.884 3 HG1 THR 6 HG1 THR 6 11.164 5.708 -1.450 4 HG21 THR 6 HG21 THR 6 11.800 5.311 -3.779 5 HG23 THR 6 HG22 THR 6 12.446 3.692 -4.051 6 HG22 THR 6 HG23 THR 6 13.219 4.766 -2.884 7 H THR 6 HN THR 6 9.319 5.664 -2.259 No H/Q in entry = 7 In of MODEL 20 1 HA3 GLY 7 HA2 GLY 7 8.816 0.404 -0.310 2 H GLY 7 HN GLY 7 9.093 1.300 -2.858 3 HA2 GLY 7 HA1 GLY 7 7.369 1.372 -0.547 No H/Q in entry = 3 In of MODEL 20 1 HA PRO 8 HA PRO 8 6.667 -2.994 -2.126 2 HB2 PRO 8 HB2 PRO 8 4.556 -3.595 -0.542 3 HG2 PRO 8 HG2 PRO 8 4.385 -1.606 0.645 4 HD2 PRO 8 HD2 PRO 8 6.093 -0.064 0.683 5 HB3 PRO 8 HB1 PRO 8 6.230 -3.863 -0.040 6 HG3 PRO 8 HG1 PRO 8 5.491 -2.506 1.700 7 HD3 PRO 8 HD1 PRO 8 7.327 -1.295 1.017 No H/Q in entry = 7 In of MODEL 20 1 HA CYS 9 HA CYS 9 2.639 -1.170 -3.430 2 HB2 CYS 9 HB2 CYS 9 2.011 -0.302 -1.038 3 H CYS 9 HN CYS 9 4.532 -0.304 -1.370 4 HB3 CYS 9 HB1 CYS 9 2.260 1.286 -1.755 No H/Q in entry = 4 In of MODEL 20 1 HA CYS 10 HA CYS 10 4.577 1.569 -6.215 2 HB2 CYS 10 HB2 CYS 10 5.834 3.581 -5.502 3 H CYS 10 HN CYS 10 5.288 -0.168 -4.111 4 HB3 CYS 10 HB1 CYS 10 4.429 3.270 -4.488 No H/Q in entry = 4 In of MODEL 20 1 HA ARG 11 HA ARG 11 8.636 0.080 -7.020 2 HB2 ARG 11 HB2 ARG 11 8.576 -1.561 -8.880 3 HG2 ARG 11 HG2 ARG 11 6.368 -0.319 -9.798 4 HD2 ARG 11 HD2 ARG 11 5.301 -1.650 -7.695 5 HE ARG 11 HE ARG 11 5.228 -3.856 -8.307 6 HH11 ARG 11 HH11 ARG 11 4.367 -1.885 -11.056 7 HH12 ARG 11 HH12 ARG 11 3.875 -3.232 -12.026 8 HH21 ARG 11 HH21 ARG 11 4.582 -5.629 -9.582 9 HH22 ARG 11 HH22 ARG 11 3.996 -5.358 -11.189 10 H ARG 11 HN ARG 11 5.823 0.630 -7.695 11 HB3 ARG 11 HB1 ARG 11 7.444 -1.943 -7.589 12 HG3 ARG 11 HG1 ARG 11 6.811 -1.980 -10.198 13 HD3 ARG 11 HD1 ARG 11 4.418 -1.235 -9.164 No H/Q in entry = 13 In of MODEL 20 1 HA GLN 12 HA GLN 12 11.292 2.383 -9.643 2 HB2 GLN 12 HB2 GLN 12 9.917 0.672 -11.203 3 HG2 GLN 12 HG2 GLN 12 12.134 2.034 -11.601 4 HE21 GLN 12 HE21 GLN 12 10.437 2.423 -14.541 5 HE22 GLN 12 HE22 GLN 12 10.563 4.142 -14.652 6 H GLN 12 HN GLN 12 10.235 0.983 -8.195 7 HB3 GLN 12 HB1 GLN 12 9.168 2.182 -11.702 8 HG3 GLN 12 HG1 GLN 12 11.288 1.231 -12.922 No H/Q in entry = 8 In of MODEL 20 1 HA CYS 13 HA CYS 13 8.720 5.600 -7.225 2 HB2 CYS 13 HB2 CYS 13 10.702 6.345 -8.652 3 H CYS 13 HN CYS 13 9.634 3.588 -7.757 4 HB3 CYS 13 HB1 CYS 13 9.546 6.559 -9.962 No H/Q in entry = 4 In of MODEL 20 1 HA LYS 14 HA LYS 14 4.967 5.360 -9.515 2 HB2 LYS 14 HB2 LYS 14 6.290 3.708 -11.161 3 HG2 LYS 14 HG2 LYS 14 3.343 4.291 -11.198 4 HD2 LYS 14 HD2 LYS 14 3.777 2.282 -12.535 5 HE2 LYS 14 HE2 LYS 14 5.641 4.000 -14.159 6 HZ3 LYS 14 HZ1 LYS 14 5.451 1.064 -14.247 7 HZ2 LYS 14 HZ2 LYS 14 6.006 2.134 -15.433 8 HZ1 LYS 14 HZ3 LYS 14 4.349 2.004 -15.122 9 H LYS 14 HN LYS 14 7.056 3.612 -8.420 10 HB3 LYS 14 HB1 LYS 14 5.087 2.580 -10.551 11 HG3 LYS 14 HG1 LYS 14 4.632 5.137 -12.056 12 HD3 LYS 14 HD1 LYS 14 3.358 3.665 -13.548 13 HE3 LYS 14 HE1 LYS 14 6.190 2.818 -12.971 No H/Q in entry = 13 In of MODEL 20 1 HA LEU 15 HA LEU 15 3.198 3.190 -6.054 2 HB2 LEU 15 HB2 LEU 15 2.735 5.845 -5.874 3 HG LEU 15 HG LEU 15 2.567 3.865 -4.073 4 HD11 LEU 15 HD11 LEU 15 2.784 6.522 -3.961 5 HD13 LEU 15 HD12 LEU 15 2.541 5.521 -2.530 6 HD12 LEU 15 HD13 LEU 15 1.171 6.345 -3.272 7 HD22 LEU 15 HD21 LEU 15 0.489 3.300 -3.395 8 HD21 LEU 15 HD22 LEU 15 0.076 3.692 -5.065 9 HD23 LEU 15 HD23 LEU 15 -0.188 4.880 -3.788 10 H LEU 15 HN LEU 15 3.659 5.399 -7.765 11 HB3 LEU 15 HB1 LEU 15 1.116 5.281 -6.240 No H/Q in entry = 11 In of MODEL 20 1 HA LYS 16 HA LYS 16 0.345 0.984 -8.453 2 HB2 LYS 16 HB2 LYS 16 0.388 -0.088 -5.685 3 HG2 LYS 16 HG2 LYS 16 0.486 -2.253 -7.126 4 HD2 LYS 16 HD2 LYS 16 2.994 -1.450 -7.710 5 HE2 LYS 16 HE2 LYS 16 3.567 -2.045 -5.348 6 HZ1 LYS 16 HZ1 LYS 16 3.131 -3.734 -7.119 7 HZ3 LYS 16 HZ2 LYS 16 1.564 -3.897 -6.504 8 HZ2 LYS 16 HZ3 LYS 16 2.896 -4.287 -5.537 9 H LYS 16 HN LYS 16 1.624 1.660 -6.024 10 HB3 LYS 16 HB1 LYS 16 -0.978 -0.551 -6.692 11 HG3 LYS 16 HG1 LYS 16 0.879 -1.135 -8.434 12 HD3 LYS 16 HD1 LYS 16 2.545 -0.235 -6.511 13 HE3 LYS 16 HE1 LYS 16 1.839 -2.104 -5.006 No H/Q in entry = 13 In of MODEL 20 1 HA PRO 17 HA PRO 17 -3.354 3.399 -8.458 2 HB2 PRO 17 HB2 PRO 17 -4.693 0.877 -9.304 3 HG2 PRO 17 HG2 PRO 17 -3.262 0.498 -11.099 4 HD2 PRO 17 HD2 PRO 17 -1.905 -0.149 -9.347 5 HB3 PRO 17 HB1 PRO 17 -4.715 2.472 -10.063 6 HG3 PRO 17 HG1 PRO 17 -2.654 2.164 -11.080 7 HD3 PRO 17 HD1 PRO 17 -0.890 1.160 -9.985 No H/Q in entry = 7 In of MODEL 20 1 HA ALA 18 HA ALA 18 -5.219 2.617 -4.629 2 HB3 ALA 18 HB1 ALA 18 -7.670 3.916 -5.672 3 HB1 ALA 18 HB2 ALA 18 -6.195 4.881 -5.625 4 HB2 ALA 18 HB3 ALA 18 -6.820 4.155 -4.145 5 H ALA 18 HN ALA 18 -5.082 3.809 -7.142 No H/Q in entry = 5 In of MODEL 20 1 HA3 GLY 19 HA2 GLY 19 -8.154 -0.583 -4.188 2 H GLY 19 HN GLY 19 -5.787 0.593 -4.181 3 HA2 GLY 19 HA1 GLY 19 -7.722 -0.786 -5.880 No H/Q in entry = 3 In of MODEL 20 1 HA THR 20 HA THR 20 -4.697 -3.851 -5.069 2 HB THR 20 HB THR 20 -2.366 -2.369 -4.017 3 HG1 THR 20 HG1 THR 20 -2.728 -0.789 -5.377 4 HG22 THR 20 HG21 THR 20 -1.475 -3.495 -6.240 5 HG21 THR 20 HG22 THR 20 -2.894 -4.511 -5.986 6 HG23 THR 20 HG23 THR 20 -1.658 -4.394 -4.733 7 H THR 20 HN THR 20 -4.847 -1.065 -5.180 No H/Q in entry = 7 In of MODEL 20 1 HA THR 21 HA THR 21 -4.495 -4.385 -0.726 2 HB THR 21 HB THR 21 -3.440 -6.854 -0.396 3 HG1 THR 21 HG1 THR 21 -3.586 -8.003 -2.260 4 HG21 THR 21 HG21 THR 21 -6.094 -5.918 -1.289 5 HG23 THR 21 HG22 THR 21 -5.633 -6.851 0.135 6 HG22 THR 21 HG23 THR 21 -5.752 -7.642 -1.437 7 H THR 21 HN THR 21 -3.275 -4.979 -3.333 No H/Q in entry = 7 In of MODEL 20 1 HA CYS 22 HA CYS 22 -0.770 -4.140 1.515 2 HB2 CYS 22 HB2 CYS 22 -0.290 -3.299 -0.998 3 H CYS 22 HN CYS 22 -3.189 -3.179 0.504 4 HB3 CYS 22 HB1 CYS 22 -0.071 -1.779 -0.138 No H/Q in entry = 4 In of MODEL 20 1 HA TRP 23 HA TRP 23 -2.007 -1.143 4.393 2 HB2 TRP 23 HB2 TRP 23 -2.092 0.375 2.425 3 HD1 TRP 23 HD1 TRP 23 -1.149 1.766 4.566 4 HE1 TRP 23 HE1 TRP 23 -2.287 3.551 6.030 5 HE3 TRP 23 HE3 TRP 23 -6.025 0.840 3.335 6 HZ2 TRP 23 HZ2 TRP 23 -4.905 4.448 6.589 7 HZ3 TRP 23 HZ3 TRP 23 -7.784 2.206 4.379 8 HH2 TRP 23 HH2 TRP 23 -7.234 3.972 5.973 9 H TRP 23 HN TRP 23 -3.080 -2.985 2.572 10 HB3 TRP 23 HB1 TRP 23 -3.833 0.131 2.348 No H/Q in entry = 10 In of MODEL 20 1 HA ARG 24 HA ARG 24 -6.026 -1.990 5.953 2 HB2 ARG 24 HB2 ARG 24 -4.874 -4.093 6.422 3 HG2 ARG 24 HG2 ARG 24 -7.013 -3.243 7.810 4 HD2 ARG 24 HD2 ARG 24 -5.037 -4.128 9.903 5 HE ARG 24 HE ARG 24 -7.846 -3.937 9.973 6 HH11 ARG 24 HH11 ARG 24 -5.031 -3.102 11.859 7 HH12 ARG 24 HH12 ARG 24 -5.868 -3.182 13.373 8 HH21 ARG 24 HH21 ARG 24 -8.948 -4.043 11.963 9 HH22 ARG 24 HH22 ARG 24 -8.091 -3.717 13.433 10 H ARG 24 HN ARG 24 -3.133 -1.483 6.178 11 HB3 ARG 24 HB1 ARG 24 -4.067 -3.364 7.803 12 HG3 ARG 24 HG1 ARG 24 -6.292 -4.843 7.992 13 HD3 ARG 24 HD1 ARG 24 -5.523 -2.452 9.656 No H/Q in entry = 13 In of MODEL 20 1 HA THR 25 HA THR 25 -6.048 0.345 9.753 2 HB THR 25 HB THR 25 -8.068 2.046 9.007 3 HG1 THR 25 HG1 THR 25 -8.163 0.721 7.017 4 HG21 THR 25 HG21 THR 25 -5.723 2.640 9.597 5 HG23 THR 25 HG22 THR 25 -6.403 3.560 8.255 6 HG22 THR 25 HG23 THR 25 -5.268 2.248 7.939 7 H THR 25 HN THR 25 -7.320 -1.243 7.669 No H/Q in entry = 7 In of MODEL 20 1 HA SER 26 HA SER 26 -10.362 -1.481 10.483 2 HB2 SER 26 HB2 SER 26 -9.794 0.797 11.722 3 HG SER 26 HG SER 26 -11.427 0.278 13.183 4 H SER 26 HN SER 26 -9.372 0.345 8.549 5 HB3 SER 26 HB1 SER 26 -11.358 1.272 11.061 No H/Q in entry = 5 In of MODEL 20 1 HA VAL 27 HA VAL 27 -13.824 0.600 8.012 2 HB VAL 27 HB VAL 27 -13.656 2.227 6.084 3 H VAL 27 HN VAL 27 -11.096 1.304 8.444 No H/Q in entry = 3 In of MODEL 20 1 HA SER 28 HA SER 28 -12.278 -1.880 4.550 2 HB2 SER 28 HB2 SER 28 -10.775 0.268 3.803 3 HG SER 28 HG SER 28 -11.275 -2.179 2.481 4 H SER 28 HN SER 28 -10.801 -0.180 6.450 5 HB3 SER 28 HB1 SER 28 -9.575 -1.023 3.732 No H/Q in entry = 5 In of MODEL 20 1 HA SER 29 HA SER 29 -10.084 -5.261 6.046 2 HB2 SER 29 HB2 SER 29 -10.516 -5.777 3.151 3 HG SER 29 HG SER 29 -10.926 -7.652 5.167 4 H SER 29 HN SER 29 -11.206 -3.841 3.913 5 HB3 SER 29 HB1 SER 29 -9.357 -6.813 3.984 No H/Q in entry = 5 In of MODEL 20 1 HA HIS 30 HA HIS 30 -6.067 -3.735 4.187 2 HB2 HIS 30 HB2 HIS 30 -5.686 -6.020 4.880 3 HD1 HIS 30 HD1 HIS 30 -3.400 -4.845 5.325 4 HD2 HIS 30 HD2 HIS 30 -3.822 -6.442 1.514 5 HE1 HIS 30 HE1 HIS 30 -1.083 -4.875 4.350 6 HE2 HIS 30 HE2 HIS 30 -1.347 -5.955 2.089 7 H HIS 30 HN HIS 30 -8.378 -4.935 2.966 8 HB3 HIS 30 HB1 HIS 30 -5.981 -6.609 3.249 No H/Q in entry = 8 In of MODEL 20 1 HA TYR 31 HA TYR 31 -5.798 -3.032 -0.157 2 HB2 TYR 31 HB2 TYR 31 -8.202 -1.278 0.386 3 HD1 TYR 31 HD1 TYR 31 -9.720 -2.789 1.387 4 HD2 TYR 31 HD2 TYR 31 -7.588 -3.944 -2.108 5 HE1 TYR 31 HE1 TYR 31 -11.154 -4.775 1.176 6 HE2 TYR 31 HE2 TYR 31 -9.017 -5.933 -2.330 7 HH TYR 31 HH TYR 31 -10.448 -7.377 -0.565 8 H TYR 31 HN TYR 31 -6.915 -2.280 2.464 9 HB3 TYR 31 HB1 TYR 31 -7.513 -1.599 -1.202 No H/Q in entry = 9 In of MODEL 20 1 HA CYS 32 HA CYS 32 -3.105 0.313 0.523 2 HB2 CYS 32 HB2 CYS 32 -2.375 -1.085 -1.674 3 H CYS 32 HN CYS 32 -4.285 -1.728 -0.968 4 HB3 CYS 32 HB1 CYS 32 -2.781 0.460 -2.415 No H/Q in entry = 4 In of MODEL 20 1 HA THR 33 HA THR 33 -5.908 3.570 -0.162 2 HB THR 33 HB THR 33 -5.219 5.559 0.941 3 HG1 THR 33 HG1 THR 33 -2.565 4.567 0.921 4 HG21 THR 33 HG21 THR 33 -5.473 3.486 2.402 5 HG23 THR 33 HG22 THR 33 -4.641 4.881 3.090 6 HG22 THR 33 HG23 THR 33 -3.712 3.500 2.505 7 H THR 33 HN THR 33 -3.521 2.414 0.776 No H/Q in entry = 7 In of MODEL 20 1 HA3 GLY 34 HA2 GLY 34 -1.983 4.030 -3.598 2 H GLY 34 HN GLY 34 -2.663 3.527 -1.438 3 HA2 GLY 34 HA1 GLY 34 -3.607 4.605 -3.943 No H/Q in entry = 3 In of MODEL 20 1 HA ARG 35 HA ARG 35 -1.383 8.330 -2.619 2 HB2 ARG 35 HB2 ARG 35 -3.278 8.123 -0.771 3 HG2 ARG 35 HG2 ARG 35 -2.110 10.240 -1.944 4 HD2 ARG 35 HD2 ARG 35 -1.348 10.285 0.947 5 HE ARG 35 HE ARG 35 -2.548 12.493 -0.321 6 HH11 ARG 35 HH11 ARG 35 0.266 11.672 1.574 7 HH12 ARG 35 HH12 ARG 35 0.425 13.257 2.253 8 HH21 ARG 35 HH21 ARG 35 -2.340 14.578 0.571 9 HH22 ARG 35 HH22 ARG 35 -1.054 14.907 1.684 10 H ARG 35 HN ARG 35 -1.857 5.801 -1.187 11 HB3 ARG 35 HB1 ARG 35 -1.912 8.352 0.313 12 HG3 ARG 35 HG1 ARG 35 -3.355 10.366 -0.700 13 HD3 ARG 35 HD1 ARG 35 -0.396 10.740 -0.465 No H/Q in entry = 13 In of MODEL 20 1 HA SER 36 HA SER 36 2.305 7.453 -0.125 2 HB2 SER 36 HB2 SER 36 2.405 6.414 2.323 3 HG SER 36 HG SER 36 0.236 5.610 2.187 4 H SER 36 HN SER 36 -0.369 6.224 0.023 5 HB3 SER 36 HB1 SER 36 1.734 8.018 2.030 No H/Q in entry = 5 In of MODEL 20 1 HA CYS 37 HA CYS 37 3.758 3.502 -1.079 2 HB2 CYS 37 HB2 CYS 37 6.108 5.046 -0.034 3 H CYS 37 HN CYS 37 4.107 6.064 0.134 4 HB3 CYS 37 HB1 CYS 37 6.292 3.348 -0.460 No H/Q in entry = 4 In of MODEL 20 1 HA GLU 38 HA GLU 38 4.864 2.453 3.554 2 HB2 GLU 38 HB2 GLU 38 2.762 4.489 4.244 3 HG2 GLU 38 HG2 GLU 38 5.452 4.724 4.237 4 H GLU 38 HN GLU 38 3.860 4.635 2.171 5 HB3 GLU 38 HB1 GLU 38 3.201 3.216 5.375 6 HG3 GLU 38 HG1 GLU 38 4.369 5.641 5.283 No H/Q in entry = 6 In of MODEL 20 1 HA CYS 39 HA CYS 39 1.344 -0.199 3.440 2 HB2 CYS 39 HB2 CYS 39 2.727 -1.007 1.598 3 H CYS 39 HN CYS 39 4.138 0.471 4.067 4 HB3 CYS 39 HB1 CYS 39 3.781 -1.846 2.731 No H/Q in entry = 4 In of MODEL 20 1 HA PRO 40 HA PRO 40 2.034 -1.234 7.876 2 HB2 PRO 40 HB2 PRO 40 -0.874 -1.762 7.441 3 HG2 PRO 40 HG2 PRO 40 -1.348 0.456 6.915 4 HD2 PRO 40 HD2 PRO 40 -0.361 -0.181 4.938 5 HB3 PRO 40 HB1 PRO 40 -0.069 -0.942 8.784 6 HG3 PRO 40 HG1 PRO 40 0.181 1.037 7.601 7 HD3 PRO 40 HD1 PRO 40 0.828 1.054 5.396 No H/Q in entry = 7 In of MODEL 20 1 HA SER 41 HA SER 41 2.511 -5.490 7.006 2 HB2 SER 41 HB2 SER 41 2.694 -5.880 9.938 3 HG SER 41 HG SER 41 4.737 -4.479 8.573 4 H SER 41 HN SER 41 2.626 -3.187 8.579 5 HB3 SER 41 HB1 SER 41 3.747 -6.469 8.652 No H/Q in entry = 5 In of MODEL 20 1 HA TYR 42 HA TYR 42 -1.177 -6.529 9.997 2 HB2 TYR 42 HB2 TYR 42 -1.322 -4.005 10.833 3 HD1 TYR 42 HD1 TYR 42 -2.380 -3.936 12.907 4 HD2 TYR 42 HD2 TYR 42 -3.790 -6.649 9.949 5 HE1 TYR 42 HE1 TYR 42 -3.893 -4.945 14.562 6 HE2 TYR 42 HE2 TYR 42 -5.308 -7.665 11.595 7 HH TYR 42 HH TYR 42 -6.192 -6.285 14.379 8 H TYR 42 HN TYR 42 0.303 -4.253 9.418 9 HB3 TYR 42 HB1 TYR 42 -2.633 -3.951 9.659 No H/Q in entry = 9 In of MODEL 20 1 HA PRO 43 HA PRO 43 -2.842 -7.119 5.831 2 HB2 PRO 43 HB2 PRO 43 -3.657 -9.658 6.175 3 HG2 PRO 43 HG2 PRO 43 -3.435 -9.852 8.478 4 HD2 PRO 43 HD2 PRO 43 -2.235 -8.324 9.697 5 HB3 PRO 43 HB1 PRO 43 -1.952 -9.248 5.948 6 HG3 PRO 43 HG1 PRO 43 -1.828 -10.399 7.965 7 HD3 PRO 43 HD1 PRO 43 -0.817 -8.454 8.640 No H/Q in entry = 7 In of MODEL 20 1 HA3 GLY 44 HA2 GLY 44 -7.142 -7.620 7.143 2 H GLY 44 HN GLY 44 -5.047 -8.548 5.300 3 HA2 GLY 44 HA1 GLY 44 -7.226 -7.161 5.449 No H/Q in entry = 3 In of MODEL 20 1 HA ASN 45 HA ASN 45 -9.437 -10.255 3.293 2 HB2 ASN 45 HB2 ASN 45 -7.021 -11.262 3.909 3 HD21 ASN 45 HD21 ASN 45 -6.559 -13.307 2.896 4 HD22 ASN 45 HD22 ASN 45 -7.666 -13.954 1.738 5 H ASN 45 HN ASN 45 -8.255 -8.481 4.084 6 HB3 ASN 45 HB1 ASN 45 -8.013 -12.219 5.005 No H/Q in entry = 6 In of MODEL 20 1 HA3 GLY 46 HA2 GLY 46 -12.381 -11.973 6.013 2 H GLY 46 HN GLY 46 -11.491 -10.287 3.940 3 HA2 GLY 46 HA1 GLY 46 -12.375 -10.316 6.598 No H/Q in entry = 3 In of MODEL 21 1 H1 ALA 1 HT2 ALA 1 9.491 14.805 -1.097 2 H2 ALA 1 HT1 ALA 1 9.161 15.111 -2.753 3 H3 ALA 1 HT3 ALA 1 8.187 14.006 -1.876 4 HA ALA 1 HA ALA 1 9.799 12.427 -1.784 5 HB2 ALA 1 HB1 ALA 1 10.154 13.770 -4.460 6 HB1 ALA 1 HB2 ALA 1 8.811 12.714 -4.021 7 HB3 ALA 1 HB3 ALA 1 10.453 12.072 -4.086 No H/Q in entry = 7 In of MODEL 21 1 HA MET 2 HA MET 2 13.738 14.291 -1.106 2 HB2 MET 2 HB2 MET 2 12.873 13.848 1.229 3 H MET 2 HN MET 2 11.586 12.388 -0.579 4 HG2 MET 2 HG2 MET 2 15.740 13.046 1.178 5 HE3 MET 2 HE1 MET 2 16.148 16.272 3.828 6 HB3 MET 2 HB1 MET 2 13.585 12.245 1.109 7 HE2 MET 2 HE2 MET 2 15.687 16.536 2.146 8 HE1 MET 2 HE3 MET 2 17.036 15.468 2.534 9 HG3 MET 2 HG1 MET 2 15.276 14.645 0.598 No H/Q in entry = 9 In of MODEL 21 1 HA ASP 3 HA ASP 3 15.204 10.425 -3.067 2 HB2 ASP 3 HB2 ASP 3 16.353 8.732 -1.707 3 H ASP 3 HN ASP 3 13.001 10.882 -1.302 4 HB3 ASP 3 HB1 ASP 3 16.405 10.312 -0.932 No H/Q in entry = 4 In of MODEL 21 1 HA CYS 4 HA CYS 4 10.803 8.716 -3.987 2 HB2 CYS 4 HB2 CYS 4 12.964 8.007 -5.320 3 H CYS 4 HN CYS 4 12.384 10.150 -3.202 4 HB3 CYS 4 HB1 CYS 4 12.836 6.549 -4.341 No H/Q in entry = 4 In of MODEL 21 1 HA THR 5 HA THR 5 10.114 5.968 -0.666 2 HB THR 5 HB THR 5 7.432 5.593 -1.925 3 HG1 THR 5 HG1 THR 5 8.389 8.057 -0.900 4 HG23 THR 5 HG21 THR 5 6.742 5.255 0.149 5 HG22 THR 5 HG22 THR 5 7.510 6.736 0.719 6 HG21 THR 5 HG23 THR 5 8.438 5.239 0.630 7 H THR 5 HN THR 5 9.493 6.941 -3.363 No H/Q in entry = 7 In of MODEL 21 1 HA THR 6 HA THR 6 9.341 1.870 -2.319 2 HB THR 6 HB THR 6 11.451 1.199 -0.346 3 HG1 THR 6 HG1 THR 6 12.696 2.792 -0.841 4 HG23 THR 6 HG21 THR 6 11.224 -0.422 -1.984 5 HG22 THR 6 HG22 THR 6 12.598 0.534 -2.540 6 HG21 THR 6 HG23 THR 6 11.009 0.766 -3.270 7 H THR 6 HN THR 6 9.555 3.754 -0.109 No H/Q in entry = 7 In of MODEL 21 1 HA3 GLY 7 HA2 GLY 7 8.095 -1.216 0.660 2 H GLY 7 HN GLY 7 8.228 0.060 -1.793 3 HA2 GLY 7 HA1 GLY 7 6.825 -0.002 0.683 No H/Q in entry = 3 In of MODEL 21 1 HA PRO 8 HA PRO 8 5.064 -3.855 -1.215 2 HB2 PRO 8 HB2 PRO 8 2.704 -3.753 0.121 3 HG2 PRO 8 HG2 PRO 8 3.030 -1.793 1.323 4 HD2 PRO 8 HD2 PRO 8 5.118 -0.852 1.574 5 HB3 PRO 8 HB1 PRO 8 4.151 -4.517 0.788 6 HG3 PRO 8 HG1 PRO 8 3.693 -2.974 2.468 7 HD3 PRO 8 HD1 PRO 8 5.874 -2.404 1.986 No H/Q in entry = 7 In of MODEL 21 1 HA CYS 9 HA CYS 9 1.919 -0.956 -2.939 2 HB2 CYS 9 HB2 CYS 9 1.461 0.191 -0.541 3 H CYS 9 HN CYS 9 3.732 -0.646 -0.661 4 HB3 CYS 9 HB1 CYS 9 2.007 1.601 -1.442 No H/Q in entry = 4 In of MODEL 21 1 HA CYS 10 HA CYS 10 5.000 1.768 -4.736 2 HB2 CYS 10 HB2 CYS 10 6.736 0.654 -2.983 3 H CYS 10 HN CYS 10 4.720 -0.861 -3.438 4 HB3 CYS 10 HB1 CYS 10 7.381 0.027 -4.496 No H/Q in entry = 4 In of MODEL 21 1 HA ARG 11 HA ARG 11 6.466 -0.630 -8.330 2 HB2 ARG 11 HB2 ARG 11 4.641 -0.038 -10.005 3 HG2 ARG 11 HG2 ARG 11 3.198 1.230 -7.729 4 HD2 ARG 11 HD2 ARG 11 1.777 2.069 -9.421 5 HE ARG 11 HE ARG 11 2.021 -0.614 -9.222 6 HH11 ARG 11 HH11 ARG 11 1.349 1.524 -11.897 7 HH12 ARG 11 HH12 ARG 11 0.387 0.362 -12.747 8 HH21 ARG 11 HH21 ARG 11 0.756 -2.144 -10.338 9 HH22 ARG 11 HH22 ARG 11 0.050 -1.721 -11.862 10 H ARG 11 HN ARG 11 6.192 1.749 -6.815 11 HB3 ARG 11 HB1 ARG 11 4.114 -0.742 -8.483 12 HG3 ARG 11 HG1 ARG 11 4.213 2.224 -8.776 13 HD3 ARG 11 HD1 ARG 11 2.938 1.681 -10.689 No H/Q in entry = 13 In of MODEL 21 1 HA GLN 12 HA GLN 12 9.783 1.148 -10.561 2 HB2 GLN 12 HB2 GLN 12 7.638 0.998 -12.065 3 HG2 GLN 12 HG2 GLN 12 10.157 1.671 -12.648 4 HE21 GLN 12 HE21 GLN 12 11.260 3.212 -13.911 5 HE22 GLN 12 HE22 GLN 12 10.800 4.877 -13.894 6 H GLN 12 HN GLN 12 8.309 0.002 -9.264 7 HB3 GLN 12 HB1 GLN 12 7.543 2.728 -11.767 8 HG3 GLN 12 HG1 GLN 12 8.851 1.669 -13.833 No H/Q in entry = 8 In of MODEL 21 1 HA CYS 13 HA CYS 13 10.030 3.949 -6.759 2 HB2 CYS 13 HB2 CYS 13 11.478 4.274 -9.065 3 H CYS 13 HN CYS 13 9.532 2.141 -8.045 4 HB3 CYS 13 HB1 CYS 13 10.597 5.796 -8.974 No H/Q in entry = 4 In of MODEL 21 1 HA LYS 14 HA LYS 14 6.359 6.303 -7.327 2 HB2 LYS 14 HB2 LYS 14 5.806 4.558 -9.673 3 HG2 LYS 14 HG2 LYS 14 6.991 6.963 -9.460 4 HD2 LYS 14 HD2 LYS 14 5.020 8.335 -10.703 5 HE2 LYS 14 HE2 LYS 14 4.611 9.172 -8.173 6 HZ1 LYS 14 HZ1 LYS 14 7.020 9.621 -9.846 7 HZ3 LYS 14 HZ2 LYS 14 6.630 10.545 -8.484 8 HZ2 LYS 14 HZ3 LYS 14 5.603 10.546 -9.828 9 H LYS 14 HN LYS 14 7.326 3.571 -7.757 10 HB3 LYS 14 HB1 LYS 14 4.467 5.502 -9.032 11 HG3 LYS 14 HG1 LYS 14 6.156 6.399 -10.909 12 HD3 LYS 14 HD1 LYS 14 4.085 7.433 -9.508 13 HE3 LYS 14 HE1 LYS 14 6.125 8.292 -7.970 No H/Q in entry = 13 In of MODEL 21 1 HA LEU 15 HA LEU 15 3.436 4.137 -4.945 2 HB2 LEU 15 HB2 LEU 15 1.601 5.616 -4.155 3 HG LEU 15 HG LEU 15 1.644 6.920 -6.507 4 HD13 LEU 15 HD11 LEU 15 0.120 8.372 -5.571 5 HD12 LEU 15 HD12 LEU 15 1.015 8.505 -4.057 6 HD11 LEU 15 HD13 LEU 15 0.101 7.040 -4.415 7 HD21 LEU 15 HD21 LEU 15 3.993 7.787 -5.529 8 HD23 LEU 15 HD22 LEU 15 2.914 9.013 -4.864 9 HD22 LEU 15 HD23 LEU 15 2.973 8.742 -6.605 10 H LEU 15 HN LEU 15 3.949 6.287 -6.851 11 HB3 LEU 15 HB1 LEU 15 3.195 6.339 -4.050 No H/Q in entry = 11 In of MODEL 21 1 HA LYS 16 HA LYS 16 0.583 2.224 -7.576 2 HB2 LYS 16 HB2 LYS 16 0.413 1.097 -4.860 3 HG2 LYS 16 HG2 LYS 16 0.009 -0.603 -7.223 4 HD2 LYS 16 HD2 LYS 16 2.043 -0.682 -4.999 5 HE2 LYS 16 HE2 LYS 16 2.699 -2.093 -6.811 6 HZ3 LYS 16 HZ1 LYS 16 1.160 -3.860 -7.592 7 HZ2 LYS 16 HZ2 LYS 16 0.700 -2.299 -8.052 8 HZ1 LYS 16 HZ3 LYS 16 -0.100 -3.075 -6.779 9 H LYS 16 HN LYS 16 1.701 2.775 -5.033 10 HB3 LYS 16 HB1 LYS 16 -1.022 0.850 -5.847 11 HG3 LYS 16 HG1 LYS 16 1.546 0.261 -7.160 12 HD3 LYS 16 HD1 LYS 16 0.448 -1.434 -4.920 13 HE3 LYS 16 HE1 LYS 16 2.039 -3.114 -5.534 No H/Q in entry = 13 In of MODEL 21 1 HA PRO 17 HA PRO 17 -3.141 4.563 -7.728 2 HB2 PRO 17 HB2 PRO 17 -5.058 2.733 -8.384 3 HG2 PRO 17 HG2 PRO 17 -3.861 0.784 -7.997 4 HD2 PRO 17 HD2 PRO 17 -1.563 0.784 -7.767 5 HB3 PRO 17 HB1 PRO 17 -3.866 3.353 -9.533 6 HG3 PRO 17 HG1 PRO 17 -3.428 1.076 -9.692 7 HD3 PRO 17 HD1 PRO 17 -1.328 1.873 -9.150 No H/Q in entry = 7 In of MODEL 21 1 HA ALA 18 HA ALA 18 -4.980 4.324 -3.809 2 HB2 ALA 18 HB1 ALA 18 -7.078 5.848 -3.805 3 HB1 ALA 18 HB2 ALA 18 -6.537 6.303 -5.421 4 HB3 ALA 18 HB3 ALA 18 -5.485 6.571 -4.031 5 H ALA 18 HN ALA 18 -4.786 5.278 -6.446 No H/Q in entry = 5 In of MODEL 21 1 HA3 GLY 19 HA2 GLY 19 -8.014 1.355 -2.778 2 H GLY 19 HN GLY 19 -5.877 2.473 -3.191 3 HA2 GLY 19 HA1 GLY 19 -8.428 1.681 -4.454 No H/Q in entry = 3 In of MODEL 21 1 HA THR 20 HA THR 20 -5.680 -1.831 -5.114 2 HB THR 20 HB THR 20 -3.043 -0.734 -4.135 3 HG1 THR 20 HG1 THR 20 -2.866 0.129 -6.254 4 HG22 THR 20 HG21 THR 20 -2.241 -1.958 -6.213 5 HG21 THR 20 HG22 THR 20 -3.795 -2.790 -6.177 6 HG23 THR 20 HG23 THR 20 -2.685 -2.935 -4.814 7 H THR 20 HN THR 20 -5.214 0.649 -3.646 No H/Q in entry = 7 In of MODEL 21 1 HA THR 21 HA THR 21 -5.088 -4.123 -1.459 2 HB THR 21 HB THR 21 -4.576 -6.640 -2.298 3 HG1 THR 21 HG1 THR 21 -5.762 -5.386 -4.542 4 HG21 THR 21 HG21 THR 21 -6.663 -5.820 -1.223 5 HG23 THR 21 HG22 THR 21 -6.915 -7.023 -2.488 6 HG22 THR 21 HG23 THR 21 -7.224 -5.319 -2.818 7 H THR 21 HN THR 21 -4.561 -3.816 -4.320 No H/Q in entry = 7 In of MODEL 21 1 HA CYS 22 HA CYS 22 -0.680 -3.878 -1.080 2 HB2 CYS 22 HB2 CYS 22 -1.905 -2.636 0.983 3 H CYS 22 HN CYS 22 -3.363 -3.654 -0.245 4 HB3 CYS 22 HB1 CYS 22 -1.238 -4.030 1.825 No H/Q in entry = 4 In of MODEL 21 1 HA TRP 23 HA TRP 23 -0.502 -8.004 0.824 2 HB2 TRP 23 HB2 TRP 23 -0.578 -6.770 3.210 3 HD1 TRP 23 HD1 TRP 23 1.236 -8.820 1.387 4 HE1 TRP 23 HE1 TRP 23 2.567 -10.640 2.628 5 HE3 TRP 23 HE3 TRP 23 -1.397 -8.908 5.769 6 HZ2 TRP 23 HZ2 TRP 23 2.509 -11.941 5.133 7 HZ3 TRP 23 HZ3 TRP 23 -0.694 -10.469 7.536 8 HH2 TRP 23 HH2 TRP 23 1.219 -11.954 7.223 9 H TRP 23 HN TRP 23 -2.239 -5.735 1.536 10 HB3 TRP 23 HB1 TRP 23 -1.863 -7.947 3.462 No H/Q in entry = 10 In of MODEL 21 1 HA ARG 24 HA ARG 24 -4.442 -10.223 1.295 2 HB2 ARG 24 HB2 ARG 24 -3.030 -10.592 -0.880 3 HG2 ARG 24 HG2 ARG 24 -5.550 -11.276 -0.268 4 HD2 ARG 24 HD2 ARG 24 -4.772 -13.524 0.514 5 HE ARG 24 HE ARG 24 -3.277 -13.677 -1.730 6 HH11 ARG 24 HH11 ARG 24 -5.971 -15.546 -0.534 7 HH12 ARG 24 HH12 ARG 24 -5.457 -17.011 -1.302 8 HH21 ARG 24 HH21 ARG 24 -2.600 -15.602 -2.741 9 HH22 ARG 24 HH22 ARG 24 -3.543 -17.043 -2.555 10 H ARG 24 HN ARG 24 -1.579 -10.136 1.800 11 HB3 ARG 24 HB1 ARG 24 -2.745 -12.188 -0.199 12 HG3 ARG 24 HG1 ARG 24 -4.791 -11.623 -1.823 13 HD3 ARG 24 HD1 ARG 24 -5.983 -13.560 -0.767 No H/Q in entry = 13 In of MODEL 21 1 HA THR 25 HA THR 25 -3.850 -13.684 3.921 2 HB THR 25 HB THR 25 -3.996 -13.101 6.247 3 HG1 THR 25 HG1 THR 25 -5.222 -10.705 5.359 4 HG22 THR 25 HG21 THR 25 -2.919 -10.531 5.744 5 HG21 THR 25 HG22 THR 25 -2.374 -11.622 4.470 6 HG23 THR 25 HG23 THR 25 -2.076 -12.023 6.161 7 H THR 25 HN THR 25 -5.116 -11.155 3.115 No H/Q in entry = 7 In of MODEL 21 1 HA SER 26 HA SER 26 -8.022 -14.819 4.597 2 HB2 SER 26 HB2 SER 26 -8.308 -16.699 6.242 3 HG SER 26 HG SER 26 -6.151 -17.306 7.172 4 H SER 26 HN SER 26 -5.454 -14.438 5.955 5 HB3 SER 26 HB1 SER 26 -6.921 -16.883 5.170 No H/Q in entry = 5 In of MODEL 21 1 HA VAL 27 HA VAL 27 -9.794 -11.980 7.400 2 HB VAL 27 HB VAL 27 -8.736 -13.387 9.133 3 H VAL 27 HN VAL 27 -7.379 -12.365 6.034 No H/Q in entry = 3 In of MODEL 21 1 HA SER 28 HA SER 28 -8.458 -7.998 6.283 2 HB2 SER 28 HB2 SER 28 -5.794 -9.266 6.624 3 HG SER 28 HG SER 28 -5.795 -8.031 8.374 4 H SER 28 HN SER 28 -8.250 -10.661 5.436 5 HB3 SER 28 HB1 SER 28 -5.818 -7.654 5.909 No H/Q in entry = 5 In of MODEL 21 1 HA SER 29 HA SER 29 -7.723 -7.783 1.965 2 HB2 SER 29 HB2 SER 29 -9.228 -6.133 1.011 3 HG SER 29 HG SER 29 -9.621 -5.150 3.640 4 H SER 29 HN SER 29 -8.210 -6.537 4.588 5 HB3 SER 29 HB1 SER 29 -10.036 -6.944 2.353 No H/Q in entry = 5 In of MODEL 21 1 HA HIS 30 HA HIS 30 -5.418 -3.421 3.937 2 HB2 HIS 30 HB2 HIS 30 -4.218 -5.668 2.396 3 HD1 HIS 30 HD1 HIS 30 -1.479 -4.175 3.805 4 HD2 HIS 30 HD2 HIS 30 -4.822 -5.969 5.500 5 HE1 HIS 30 HE1 HIS 30 -0.786 -4.825 6.133 6 HE2 HIS 30 HE2 HIS 30 -2.797 -5.986 7.109 7 H HIS 30 HN HIS 30 -7.014 -5.038 4.023 8 HB3 HIS 30 HB1 HIS 30 -3.429 -4.097 2.291 No H/Q in entry = 8 In of MODEL 21 1 HA TYR 31 HA TYR 31 -6.476 -1.527 0.087 2 HB2 TYR 31 HB2 TYR 31 -8.286 -0.297 2.161 3 HD1 TYR 31 HD1 TYR 31 -10.384 -1.284 2.368 4 HD2 TYR 31 HD2 TYR 31 -7.992 -2.201 -1.029 5 HE1 TYR 31 HE1 TYR 31 -12.012 -2.998 1.692 6 HE2 TYR 31 HE2 TYR 31 -9.614 -3.917 -1.715 7 HH TYR 31 HH TYR 31 -11.857 -5.211 0.232 8 H TYR 31 HN TYR 31 -6.561 -1.760 3.017 9 HB3 TYR 31 HB1 TYR 31 -8.218 0.298 0.505 No H/Q in entry = 9 In of MODEL 21 1 HA CYS 32 HA CYS 32 -3.263 1.373 0.984 2 HB2 CYS 32 HB2 CYS 32 -2.872 0.161 -1.406 3 H CYS 32 HN CYS 32 -4.753 -0.417 -0.570 4 HB3 CYS 32 HB1 CYS 32 -3.228 1.799 -1.943 No H/Q in entry = 4 In of MODEL 21 1 HA THR 33 HA THR 33 -5.511 5.033 0.276 2 HB THR 33 HB THR 33 -4.048 7.030 1.117 3 HG1 THR 33 HG1 THR 33 -2.277 6.292 2.360 4 HG23 THR 33 HG21 THR 33 -4.565 6.585 3.326 5 HG22 THR 33 HG22 THR 33 -4.357 4.844 3.129 6 HG21 THR 33 HG23 THR 33 -5.764 5.649 2.434 7 H THR 33 HN THR 33 -2.929 3.693 0.568 No H/Q in entry = 7 In of MODEL 21 1 HA3 GLY 34 HA2 GLY 34 -1.780 5.547 -3.318 2 H GLY 34 HN GLY 34 -2.215 5.119 -1.013 3 HA2 GLY 34 HA1 GLY 34 -3.274 6.469 -3.396 No H/Q in entry = 3 In of MODEL 21 1 HA ARG 35 HA ARG 35 -0.376 9.567 -1.851 2 HB2 ARG 35 HB2 ARG 35 0.133 10.108 0.579 3 HG2 ARG 35 HG2 ARG 35 -1.417 7.573 1.066 4 HD2 ARG 35 HD2 ARG 35 -0.307 9.610 2.992 5 HE ARG 35 HE ARG 35 -0.828 6.998 3.544 6 HH11 ARG 35 HH11 ARG 35 -2.264 10.025 4.521 7 HH12 ARG 35 HH12 ARG 35 -2.768 9.430 6.067 8 HH21 ARG 35 HH21 ARG 35 -1.491 6.214 5.577 9 HH22 ARG 35 HH22 ARG 35 -2.330 7.267 6.667 10 H ARG 35 HN ARG 35 -1.008 6.896 -0.783 11 HB3 ARG 35 HB1 ARG 35 -1.558 9.838 0.179 12 HG3 ARG 35 HG1 ARG 35 0.287 7.825 1.448 13 HD3 ARG 35 HD1 ARG 35 -2.010 9.418 2.580 No H/Q in entry = 13 In of MODEL 21 1 HA SER 36 HA SER 36 3.582 7.389 -1.430 2 HB2 SER 36 HB2 SER 36 3.260 8.083 1.062 3 HG SER 36 HG SER 36 5.460 6.873 1.402 4 H SER 36 HN SER 36 0.947 6.645 -0.448 5 HB3 SER 36 HB1 SER 36 3.402 6.355 1.385 No H/Q in entry = 5 In of MODEL 21 1 HA CYS 37 HA CYS 37 3.959 3.166 -2.198 2 HB2 CYS 37 HB2 CYS 37 6.739 3.839 -1.263 3 H CYS 37 HN CYS 37 5.151 5.486 -1.041 4 HB3 CYS 37 HB1 CYS 37 6.328 2.219 -1.817 No H/Q in entry = 4 In of MODEL 21 1 HA GLU 38 HA GLU 38 4.809 1.465 2.134 2 HB2 GLU 38 HB2 GLU 38 6.065 3.556 3.022 3 HG2 GLU 38 HG2 GLU 38 4.650 1.511 4.644 4 H GLU 38 HN GLU 38 4.938 4.098 1.022 5 HB3 GLU 38 HB1 GLU 38 4.518 3.986 3.738 6 HG3 GLU 38 HG1 GLU 38 6.378 1.777 4.415 No H/Q in entry = 6 In of MODEL 21 1 HA CYS 39 HA CYS 39 0.524 1.672 2.949 2 HB2 CYS 39 HB2 CYS 39 1.605 -1.074 3.261 3 H CYS 39 HN CYS 39 3.194 0.542 3.382 4 HB3 CYS 39 HB1 CYS 39 0.003 -0.779 3.927 No H/Q in entry = 4 In of MODEL 21 1 HA PRO 40 HA PRO 40 -0.014 2.680 7.207 2 HB2 PRO 40 HB2 PRO 40 -2.676 2.271 7.530 3 HG2 PRO 40 HG2 PRO 40 -3.108 1.028 5.617 4 HD2 PRO 40 HD2 PRO 40 -1.621 0.944 3.859 5 HB3 PRO 40 HB1 PRO 40 -2.020 3.633 6.614 6 HG3 PRO 40 HG1 PRO 40 -3.378 2.665 4.992 7 HD3 PRO 40 HD1 PRO 40 -1.371 2.702 3.861 No H/Q in entry = 7 In of MODEL 21 1 HA SER 41 HA SER 41 -0.863 -1.132 9.323 2 HB2 SER 41 HB2 SER 41 0.059 -0.931 11.591 3 HG SER 41 HG SER 41 -0.486 0.878 12.538 4 H SER 41 HN SER 41 -1.130 1.803 9.265 5 HB3 SER 41 HB1 SER 41 1.044 -0.037 10.433 No H/Q in entry = 5 In of MODEL 21 1 HA TYR 42 HA TYR 42 -4.779 -0.582 11.250 2 HB2 TYR 42 HB2 TYR 42 -4.370 2.030 10.998 3 HD1 TYR 42 HD1 TYR 42 -7.402 -0.128 11.182 4 HD2 TYR 42 HD2 TYR 42 -5.222 3.110 12.873 5 HE1 TYR 42 HE1 TYR 42 -8.976 -0.063 13.070 6 HE2 TYR 42 HE2 TYR 42 -6.788 3.183 14.767 7 HH TYR 42 HH TYR 42 -9.358 2.421 15.061 8 H TYR 42 HN TYR 42 -3.288 0.332 8.895 9 HB3 TYR 42 HB1 TYR 42 -5.722 1.894 9.878 No H/Q in entry = 9 In of MODEL 21 1 HA PRO 43 HA PRO 43 -6.422 -2.586 7.412 2 HB2 PRO 43 HB2 PRO 43 -7.589 -4.224 9.613 3 HG2 PRO 43 HG2 PRO 43 -5.522 -4.945 10.408 4 HD2 PRO 43 HD2 PRO 43 -5.549 -2.795 11.243 5 HB3 PRO 43 HB1 PRO 43 -6.835 -4.744 8.102 6 HG3 PRO 43 HG1 PRO 43 -4.683 -4.460 8.922 7 HD3 PRO 43 HD1 PRO 43 -4.104 -2.647 10.222 No H/Q in entry = 7 In of MODEL 21 1 HA3 GLY 44 HA2 GLY 44 -10.871 -2.370 6.690 2 H GLY 44 HN GLY 44 -8.517 -2.613 6.573 3 HA2 GLY 44 HA1 GLY 44 -10.694 -1.665 8.289 No H/Q in entry = 3 In of MODEL 21 1 HA ASN 45 HA ASN 45 -11.059 1.850 5.563 2 HB2 ASN 45 HB2 ASN 45 -13.259 2.959 5.700 3 HD21 ASN 45 HD21 ASN 45 -13.812 3.680 7.784 4 HD22 ASN 45 HD22 ASN 45 -14.859 2.756 8.802 5 H ASN 45 HN ASN 45 -12.151 -0.003 7.542 6 HB3 ASN 45 HB1 ASN 45 -13.411 1.247 5.318 No H/Q in entry = 6 In of MODEL 21 1 HA3 GLY 46 HA2 GLY 46 -10.064 3.134 10.169 2 H GLY 46 HN GLY 46 -11.826 1.620 8.979 3 HA2 GLY 46 HA1 GLY 46 -10.994 4.404 9.389 No H/Q in entry = 3 In of MODEL 22 1 H1 ALA 1 HT1 ALA 1 11.559 18.179 -1.979 2 H2 ALA 1 HT3 ALA 1 11.645 19.224 -3.334 3 H3 ALA 1 HT2 ALA 1 10.227 18.299 -3.055 4 HA ALA 1 HA ALA 1 11.411 17.296 -4.778 5 HB2 ALA 1 HB1 ALA 1 13.802 16.771 -3.108 6 HB1 ALA 1 HB2 ALA 1 13.613 18.395 -3.770 7 HB3 ALA 1 HB3 ALA 1 13.662 17.002 -4.851 No H/Q in entry = 7 In of MODEL 22 1 HA MET 2 HA MET 2 9.937 13.989 -2.166 2 HB2 MET 2 HB2 MET 2 8.404 14.042 -4.746 3 H MET 2 HN MET 2 9.897 15.718 -4.442 4 HG2 MET 2 HG2 MET 2 7.890 15.264 -2.404 5 HE2 MET 2 HE1 MET 2 6.301 14.980 0.042 6 HB3 MET 2 HB1 MET 2 8.306 12.645 -3.682 7 HE1 MET 2 HE2 MET 2 8.025 14.787 -0.276 8 HE3 MET 2 HE3 MET 2 7.166 13.585 0.686 9 HG3 MET 2 HG1 MET 2 6.653 14.757 -3.553 No H/Q in entry = 9 In of MODEL 22 1 HA ASP 3 HA ASP 3 12.480 10.989 -4.074 2 HB2 ASP 3 HB2 ASP 3 13.207 9.357 -2.291 3 H ASP 3 HN ASP 3 10.491 11.800 -2.071 4 HB3 ASP 3 HB1 ASP 3 13.422 11.055 -1.878 No H/Q in entry = 4 In of MODEL 22 1 HA CYS 4 HA CYS 4 10.050 7.492 -4.966 2 HB2 CYS 4 HB2 CYS 4 12.864 6.484 -5.307 3 H CYS 4 HN CYS 4 12.654 8.409 -4.027 4 HB3 CYS 4 HB1 CYS 4 11.480 5.480 -5.725 No H/Q in entry = 4 In of MODEL 22 1 HA THR 5 HA THR 5 9.725 5.591 -0.961 2 HB THR 5 HB THR 5 7.041 4.824 -1.980 3 HG1 THR 5 HG1 THR 5 7.806 7.499 -1.443 4 HG21 THR 5 HG21 THR 5 8.228 5.688 0.598 5 HG23 THR 5 HG22 THR 5 7.139 4.347 0.243 6 HG22 THR 5 HG23 THR 5 6.517 5.996 0.308 7 H THR 5 HN THR 5 8.811 6.776 -3.330 No H/Q in entry = 7 In of MODEL 22 1 HA THR 6 HA THR 6 9.481 1.370 -2.343 2 HB THR 6 HB THR 6 11.424 0.281 -0.935 3 HG1 THR 6 HG1 THR 6 11.888 3.044 -0.507 4 HG21 THR 6 HG21 THR 6 11.373 1.731 -3.311 5 HG23 THR 6 HG22 THR 6 12.644 0.650 -2.739 6 HG22 THR 6 HG23 THR 6 12.733 2.377 -2.394 7 H THR 6 HN THR 6 9.561 3.405 -0.231 No H/Q in entry = 7 In of MODEL 22 1 HA3 GLY 7 HA2 GLY 7 8.293 -1.802 0.571 2 H GLY 7 HN GLY 7 8.469 -0.484 -1.785 3 HA2 GLY 7 HA1 GLY 7 7.090 -0.535 0.754 No H/Q in entry = 3 In of MODEL 22 1 HA PRO 8 HA PRO 8 5.249 -4.171 -1.573 2 HB2 PRO 8 HB2 PRO 8 3.614 -5.163 0.308 3 HG2 PRO 8 HG2 PRO 8 3.956 -3.634 2.018 4 HD2 PRO 8 HD2 PRO 8 5.705 -2.161 1.958 5 HB3 PRO 8 HB1 PRO 8 5.323 -5.611 0.236 6 HG3 PRO 8 HG1 PRO 8 5.210 -4.821 2.418 7 HD3 PRO 8 HD1 PRO 8 6.901 -3.449 1.713 No H/Q in entry = 7 In of MODEL 22 1 HA CYS 9 HA CYS 9 1.780 -1.765 -2.542 2 HB2 CYS 9 HB2 CYS 9 2.219 -0.989 0.016 3 H CYS 9 HN CYS 9 4.560 -1.614 -2.053 4 HB3 CYS 9 HB1 CYS 9 2.240 0.574 -0.792 No H/Q in entry = 4 In of MODEL 22 1 HA CYS 10 HA CYS 10 3.398 0.860 -5.620 2 HB2 CYS 10 HB2 CYS 10 5.117 2.552 -5.162 3 H CYS 10 HN CYS 10 4.242 -1.226 -3.948 4 HB3 CYS 10 HB1 CYS 10 4.069 2.316 -3.767 No H/Q in entry = 4 In of MODEL 22 1 HA ARG 11 HA ARG 11 6.902 -0.811 -7.694 2 HB2 ARG 11 HB2 ARG 11 5.414 0.828 -9.259 3 HG2 ARG 11 HG2 ARG 11 7.119 -0.009 -11.150 4 HD2 ARG 11 HD2 ARG 11 4.902 -1.276 -9.668 5 HE ARG 11 HE ARG 11 6.882 -2.949 -10.767 6 HH11 ARG 11 HH11 ARG 11 3.422 -2.490 -10.780 7 HH12 ARG 11 HH12 ARG 11 3.077 -4.159 -11.086 8 HH21 ARG 11 HH21 ARG 11 6.429 -5.145 -11.169 9 HH22 ARG 11 HH22 ARG 11 4.783 -5.667 -11.306 10 H ARG 11 HN ARG 11 5.557 1.685 -6.908 11 HB3 ARG 11 HB1 ARG 11 7.011 1.519 -9.510 12 HG3 ARG 11 HG1 ARG 11 7.576 -1.092 -9.833 13 HD3 ARG 11 HD1 ARG 11 5.069 -0.939 -11.391 No H/Q in entry = 13 In of MODEL 22 1 HA GLN 12 HA GLN 12 10.933 0.709 -7.278 2 HB2 GLN 12 HB2 GLN 12 10.802 0.799 -10.249 3 HG2 GLN 12 HG2 GLN 12 13.020 -0.502 -9.805 4 HE21 GLN 12 HE21 GLN 12 12.851 -2.584 -10.457 5 HE22 GLN 12 HE22 GLN 12 11.350 -3.414 -10.662 6 H GLN 12 HN GLN 12 8.964 0.200 -9.193 7 HB3 GLN 12 HB1 GLN 12 12.171 1.586 -9.475 8 HG3 GLN 12 HG1 GLN 12 12.353 -0.683 -8.183 No H/Q in entry = 8 In of MODEL 22 1 HA CYS 13 HA CYS 13 9.636 5.078 -7.427 2 HB2 CYS 13 HB2 CYS 13 10.643 4.901 -10.229 3 H CYS 13 HN CYS 13 8.915 2.876 -9.125 4 HB3 CYS 13 HB1 CYS 13 10.097 6.470 -9.647 No H/Q in entry = 4 In of MODEL 22 1 HA LYS 14 HA LYS 14 5.540 5.922 -8.608 2 HB2 LYS 14 HB2 LYS 14 6.015 4.827 -10.797 3 HG2 LYS 14 HG2 LYS 14 3.632 5.763 -9.982 4 HD2 LYS 14 HD2 LYS 14 3.348 2.851 -10.288 5 HE2 LYS 14 HE2 LYS 14 1.821 4.759 -11.944 6 HZ3 LYS 14 HZ1 LYS 14 -0.082 3.051 -11.791 7 HZ2 LYS 14 HZ2 LYS 14 0.008 4.278 -10.630 8 HZ1 LYS 14 HZ3 LYS 14 0.540 2.717 -10.253 9 H LYS 14 HN LYS 14 7.237 3.713 -7.878 10 HB3 LYS 14 HB1 LYS 14 5.309 3.344 -10.169 11 HG3 LYS 14 HG1 LYS 14 3.944 5.143 -11.605 12 HD3 LYS 14 HD1 LYS 14 2.336 4.006 -9.418 13 HE3 LYS 14 HE1 LYS 14 2.168 3.051 -12.209 No H/Q in entry = 13 In of MODEL 22 1 HA LEU 15 HA LEU 15 3.483 3.672 -5.459 2 HB2 LEU 15 HB2 LEU 15 3.414 6.351 -5.020 3 HG LEU 15 HG LEU 15 3.213 4.272 -3.367 4 HD11 LEU 15 HD11 LEU 15 3.594 6.932 -3.091 5 HD13 LEU 15 HD12 LEU 15 3.541 5.794 -1.745 6 HD12 LEU 15 HD13 LEU 15 2.103 6.719 -2.174 7 HD21 LEU 15 HD21 LEU 15 0.704 4.194 -4.079 8 HD23 LEU 15 HD22 LEU 15 0.535 5.512 -2.920 9 HD22 LEU 15 HD23 LEU 15 1.153 3.947 -2.391 10 H LEU 15 HN LEU 15 4.017 5.968 -7.106 11 HB3 LEU 15 HB1 LEU 15 1.708 6.017 -5.249 No H/Q in entry = 11 In of MODEL 22 1 HA LYS 16 HA LYS 16 0.172 2.162 -7.811 2 HB2 LYS 16 HB2 LYS 16 0.133 0.807 -5.139 3 HG2 LYS 16 HG2 LYS 16 0.102 -0.638 -7.725 4 HD2 LYS 16 HD2 LYS 16 1.819 -1.055 -5.293 5 HE2 LYS 16 HE2 LYS 16 0.792 -2.916 -7.432 6 HZ2 LYS 16 HZ1 LYS 16 1.042 -4.144 -5.443 7 HZ1 LYS 16 HZ2 LYS 16 2.509 -3.392 -5.063 8 HZ3 LYS 16 HZ3 LYS 16 2.421 -4.460 -6.372 9 H LYS 16 HN LYS 16 1.723 2.369 -5.453 10 HB3 LYS 16 HB1 LYS 16 -1.189 0.544 -6.268 11 HG3 LYS 16 HG1 LYS 16 1.582 0.210 -7.274 12 HD3 LYS 16 HD1 LYS 16 0.173 -1.680 -5.406 13 HE3 LYS 16 HE1 LYS 16 2.439 -2.302 -7.298 No H/Q in entry = 13 In of MODEL 22 1 HA PRO 17 HA PRO 17 -3.215 4.920 -7.246 2 HB2 PRO 17 HB2 PRO 17 -4.951 2.603 -7.952 3 HG2 PRO 17 HG2 PRO 17 -3.834 2.139 -9.940 4 HD2 PRO 17 HD2 PRO 17 -2.335 1.268 -8.417 5 HB3 PRO 17 HB1 PRO 17 -4.889 4.220 -8.661 6 HG3 PRO 17 HG1 PRO 17 -3.036 3.723 -9.964 7 HD3 PRO 17 HD1 PRO 17 -1.270 2.483 -9.151 No H/Q in entry = 7 In of MODEL 22 1 HA ALA 18 HA ALA 18 -4.576 4.133 -3.200 2 HB2 ALA 18 HB1 ALA 18 -6.249 5.749 -2.465 3 HB3 ALA 18 HB2 ALA 18 -6.527 6.233 -4.138 4 HB1 ALA 18 HB3 ALA 18 -4.965 6.540 -3.379 5 H ALA 18 HN ALA 18 -4.589 5.506 -5.635 No H/Q in entry = 5 In of MODEL 22 1 HA3 GLY 19 HA2 GLY 19 -7.860 1.363 -2.645 2 H GLY 19 HN GLY 19 -5.344 2.087 -3.126 3 HA2 GLY 19 HA1 GLY 19 -7.882 1.432 -4.400 No H/Q in entry = 3 In of MODEL 22 1 HA THR 20 HA THR 20 -5.476 -2.198 -4.865 2 HB THR 20 HB THR 20 -2.712 -1.271 -4.274 3 HG1 THR 20 HG1 THR 20 -4.312 -0.275 -6.381 4 HG21 THR 20 HG21 THR 20 -3.944 -2.833 -6.528 5 HG23 THR 20 HG22 THR 20 -2.958 -3.461 -5.208 6 HG22 THR 20 HG23 THR 20 -2.238 -2.399 -6.418 7 H THR 20 HN THR 20 -5.036 0.540 -4.509 No H/Q in entry = 7 In of MODEL 22 1 HA THR 21 HA THR 21 -4.386 -3.540 -0.831 2 HB THR 21 HB THR 21 -4.727 -6.192 -0.977 3 HG1 THR 21 HG1 THR 21 -5.432 -6.839 -2.832 4 HG23 THR 21 HG21 THR 21 -6.754 -5.819 -0.140 5 HG22 THR 21 HG22 THR 21 -7.268 -4.887 -1.546 6 HG21 THR 21 HG23 THR 21 -6.336 -4.110 -0.266 7 H THR 21 HN THR 21 -4.446 -3.998 -3.739 No H/Q in entry = 7 In of MODEL 22 1 HA CYS 22 HA CYS 22 -0.329 -5.135 -1.163 2 HB2 CYS 22 HB2 CYS 22 0.982 -4.332 0.819 3 H CYS 22 HN CYS 22 -2.629 -4.094 0.323 4 HB3 CYS 22 HB1 CYS 22 0.122 -3.060 -0.043 No H/Q in entry = 4 In of MODEL 22 1 HA TRP 23 HA TRP 23 -1.144 -8.436 1.837 2 HB2 TRP 23 HB2 TRP 23 -0.194 -6.793 3.615 3 HD1 TRP 23 HD1 TRP 23 0.975 -9.385 3.057 4 HE1 TRP 23 HE1 TRP 23 1.167 -11.336 4.724 5 HE3 TRP 23 HE3 TRP 23 -2.683 -8.003 6.351 6 HZ2 TRP 23 HZ2 TRP 23 -0.069 -12.179 7.118 7 HZ3 TRP 23 HZ3 TRP 23 -3.116 -9.437 8.303 8 HH2 TRP 23 HH2 TRP 23 -1.835 -11.482 8.677 9 H TRP 23 HN TRP 23 -2.226 -5.705 1.762 10 HB3 TRP 23 HB1 TRP 23 -1.771 -6.964 4.380 No H/Q in entry = 10 In of MODEL 22 1 HA ARG 24 HA ARG 24 -5.225 -9.524 3.003 2 HB2 ARG 24 HB2 ARG 24 -5.697 -8.194 0.997 3 HG2 ARG 24 HG2 ARG 24 -7.404 -9.932 1.992 4 HD2 ARG 24 HD2 ARG 24 -6.495 -11.135 -0.550 5 HE ARG 24 HE ARG 24 -9.229 -10.483 -0.260 6 HH11 ARG 24 HH11 ARG 24 -7.133 -13.129 -1.145 7 HH12 ARG 24 HH12 ARG 24 -8.305 -13.875 -2.179 8 HH21 ARG 24 HH21 ARG 24 -10.772 -11.463 -1.619 9 HH22 ARG 24 HH22 ARG 24 -10.371 -12.930 -2.448 10 H ARG 24 HN ARG 24 -2.771 -9.781 1.478 11 HB3 ARG 24 HB1 ARG 24 -5.247 -9.554 -0.021 12 HG3 ARG 24 HG1 ARG 24 -7.758 -9.029 0.518 13 HD3 ARG 24 HD1 ARG 24 -7.154 -11.901 0.895 No H/Q in entry = 13 In of MODEL 22 1 HA THR 25 HA THR 25 -4.084 -13.803 2.573 2 HB THR 25 HB THR 25 -4.915 -14.907 4.790 3 HG1 THR 25 HG1 THR 25 -5.896 -13.562 6.044 4 HG22 THR 25 HG21 THR 25 -2.708 -12.874 4.968 5 HG21 THR 25 HG22 THR 25 -2.542 -14.477 4.251 6 HG23 THR 25 HG23 THR 25 -2.920 -14.313 5.965 7 H THR 25 HN THR 25 -4.946 -11.465 3.981 No H/Q in entry = 7 In of MODEL 22 1 HA SER 26 HA SER 26 -8.633 -13.850 1.613 2 HB2 SER 26 HB2 SER 26 -8.013 -15.595 3.575 3 HG SER 26 HG SER 26 -9.360 -16.806 2.497 4 H SER 26 HN SER 26 -7.168 -12.449 3.541 5 HB3 SER 26 HB1 SER 26 -9.503 -14.922 4.237 No H/Q in entry = 5 In of MODEL 22 1 HA VAL 27 HA VAL 27 -11.141 -10.927 4.008 2 HB VAL 27 HB VAL 27 -11.639 -12.534 5.797 3 H VAL 27 HN VAL 27 -8.701 -12.371 4.808 No H/Q in entry = 3 In of MODEL 22 1 HA SER 28 HA SER 28 -8.300 -8.139 6.701 2 HB2 SER 28 HB2 SER 28 -6.009 -10.044 6.284 3 HG SER 28 HG SER 28 -7.285 -8.854 8.511 4 H SER 28 HN SER 28 -8.157 -10.818 5.890 5 HB3 SER 28 HB1 SER 28 -5.721 -8.371 6.761 No H/Q in entry = 5 In of MODEL 22 1 HA SER 29 HA SER 29 -5.830 -6.203 3.408 2 HB2 SER 29 HB2 SER 29 -7.663 -4.848 2.235 3 HG SER 29 HG SER 29 -9.799 -5.707 2.982 4 H SER 29 HN SER 29 -7.081 -6.304 5.917 5 HB3 SER 29 HB1 SER 29 -7.903 -6.592 2.334 No H/Q in entry = 5 In of MODEL 22 1 HA HIS 30 HA HIS 30 -5.043 -2.593 5.870 2 HB2 HIS 30 HB2 HIS 30 -2.536 -3.114 4.258 3 HD1 HIS 30 HD1 HIS 30 -1.028 -4.827 5.225 4 HD2 HIS 30 HD2 HIS 30 -3.956 -3.630 7.919 5 HE1 HIS 30 HE1 HIS 30 -0.743 -6.315 7.232 6 HE2 HIS 30 HE2 HIS 30 -2.581 -5.629 8.813 7 H HIS 30 HN HIS 30 -4.377 -4.780 4.175 8 HB3 HIS 30 HB1 HIS 30 -2.698 -1.895 5.519 No H/Q in entry = 8 In of MODEL 22 1 HA TYR 31 HA TYR 31 -4.852 -1.556 0.645 2 HB2 TYR 31 HB2 TYR 31 -6.774 -0.503 2.693 3 HD1 TYR 31 HD1 TYR 31 -8.367 -2.168 2.852 4 HD2 TYR 31 HD2 TYR 31 -6.754 -1.232 -0.972 5 HE1 TYR 31 HE1 TYR 31 -9.936 -3.749 1.810 6 HE2 TYR 31 HE2 TYR 31 -8.320 -2.810 -2.024 7 HH TYR 31 HH TYR 31 -9.834 -5.158 -0.551 8 H TYR 31 HN TYR 31 -4.457 -2.936 2.410 9 HB3 TYR 31 HB1 TYR 31 -6.586 0.333 1.155 No H/Q in entry = 9 In of MODEL 22 1 HA CYS 32 HA CYS 32 -2.642 2.151 1.534 2 HB2 CYS 32 HB2 CYS 32 -2.242 1.113 -1.208 3 H CYS 32 HN CYS 32 -4.376 0.557 -0.239 4 HB3 CYS 32 HB1 CYS 32 -1.707 2.767 -0.930 No H/Q in entry = 4 In of MODEL 22 1 HA THR 33 HA THR 33 -5.522 5.312 0.686 2 HB THR 33 HB THR 33 -4.924 7.353 1.845 3 HG1 THR 33 HG1 THR 33 -2.877 7.591 2.766 4 HG22 THR 33 HG21 THR 33 -4.121 6.342 4.105 5 HG21 THR 33 HG22 THR 33 -4.406 4.805 3.290 6 HG23 THR 33 HG23 THR 33 -5.724 5.962 3.476 7 H THR 33 HN THR 33 -3.183 4.212 1.812 No H/Q in entry = 7 In of MODEL 22 1 HA3 GLY 34 HA2 GLY 34 -1.617 5.840 -2.566 2 H GLY 34 HN GLY 34 -2.165 5.428 -0.254 3 HA2 GLY 34 HA1 GLY 34 -2.961 6.970 -2.635 No H/Q in entry = 3 In of MODEL 22 1 HA ARG 35 HA ARG 35 0.323 9.514 -0.864 2 HB2 ARG 35 HB2 ARG 35 -0.260 8.598 1.956 3 HG2 ARG 35 HG2 ARG 35 -2.176 9.505 0.577 4 HD2 ARG 35 HD2 ARG 35 -0.499 11.340 -0.345 5 HE ARG 35 HE ARG 35 -0.682 12.324 2.166 6 HH11 ARG 35 HH11 ARG 35 -1.822 13.462 -0.930 7 HH12 ARG 35 HH12 ARG 35 -1.708 15.135 -0.498 8 HH21 ARG 35 HH21 ARG 35 -0.531 14.524 2.736 9 HH22 ARG 35 HH22 ARG 35 -0.975 15.738 1.583 10 H ARG 35 HN ARG 35 -0.809 6.969 0.094 11 HB3 ARG 35 HB1 ARG 35 0.606 10.076 1.556 12 HG3 ARG 35 HG1 ARG 35 -1.840 10.326 2.103 13 HD3 ARG 35 HD1 ARG 35 -2.225 11.654 -0.163 No H/Q in entry = 13 In of MODEL 22 1 HA SER 36 HA SER 36 3.798 6.722 0.007 2 HB2 SER 36 HB2 SER 36 3.901 7.611 2.224 3 HG SER 36 HG SER 36 4.913 5.760 3.367 4 H SER 36 HN SER 36 0.994 6.467 0.746 5 HB3 SER 36 HB1 SER 36 2.849 6.342 2.851 No H/Q in entry = 5 In of MODEL 22 1 HA CYS 37 HA CYS 37 3.428 2.489 -0.702 2 HB2 CYS 37 HB2 CYS 37 5.979 3.128 -1.038 3 H CYS 37 HN CYS 37 4.982 4.659 0.297 4 HB3 CYS 37 HB1 CYS 37 6.190 2.058 0.344 No H/Q in entry = 4 In of MODEL 22 1 HA GLU 38 HA GLU 38 4.432 0.957 3.758 2 HB2 GLU 38 HB2 GLU 38 4.343 3.815 4.618 3 HG2 GLU 38 HG2 GLU 38 6.068 2.511 6.260 4 H GLU 38 HN GLU 38 4.589 3.429 2.440 5 HB3 GLU 38 HB1 GLU 38 3.895 2.575 5.781 6 HG3 GLU 38 HG1 GLU 38 6.217 1.572 4.776 No H/Q in entry = 6 In of MODEL 22 1 HA CYS 39 HA CYS 39 0.067 0.743 3.942 2 HB2 CYS 39 HB2 CYS 39 1.347 -1.922 4.060 3 H CYS 39 HN CYS 39 2.770 -0.257 4.391 4 HB3 CYS 39 HB1 CYS 39 -0.297 -1.835 4.683 No H/Q in entry = 4 In of MODEL 22 1 HA PRO 40 HA PRO 40 -0.806 1.344 8.226 2 HB2 PRO 40 HB2 PRO 40 -3.479 0.886 8.272 3 HG2 PRO 40 HG2 PRO 40 -3.725 -0.157 6.212 4 HD2 PRO 40 HD2 PRO 40 -2.091 -0.050 4.591 5 HB3 PRO 40 HB1 PRO 40 -2.769 2.340 7.559 6 HG3 PRO 40 HG1 PRO 40 -3.967 1.534 5.736 7 HD3 PRO 40 HD1 PRO 40 -1.871 1.700 4.792 No H/Q in entry = 7 In of MODEL 22 1 HA SER 41 HA SER 41 -0.575 -2.746 9.772 2 HB2 SER 41 HB2 SER 41 -0.479 -1.216 12.365 3 HG SER 41 HG SER 41 1.877 -1.762 10.988 4 H SER 41 HN SER 41 -0.480 0.081 9.940 5 HB3 SER 41 HB1 SER 41 0.268 -2.764 11.973 No H/Q in entry = 5 In of MODEL 22 1 HA TYR 42 HA TYR 42 -4.548 -2.328 12.128 2 HB2 TYR 42 HB2 TYR 42 -4.035 0.345 12.709 3 HD1 TYR 42 HD1 TYR 42 -7.364 0.320 13.493 4 HD2 TYR 42 HD2 TYR 42 -3.800 -1.816 14.403 5 HE1 TYR 42 HE1 TYR 42 -8.351 -0.405 15.625 6 HE2 TYR 42 HE2 TYR 42 -4.777 -2.549 16.538 7 HH TYR 42 HH TYR 42 -7.725 -2.700 17.256 8 H TYR 42 HN TYR 42 -2.796 -0.321 10.953 9 HB3 TYR 42 HB1 TYR 42 -5.636 0.369 11.978 No H/Q in entry = 9 In of MODEL 22 1 HA PRO 43 HA PRO 43 -7.095 -2.751 8.545 2 HB2 PRO 43 HB2 PRO 43 -9.456 -3.433 9.690 3 HG2 PRO 43 HG2 PRO 43 -9.007 -2.829 11.887 4 HD2 PRO 43 HD2 PRO 43 -6.860 -2.438 12.625 5 HB3 PRO 43 HB1 PRO 43 -8.078 -4.537 9.610 6 HG3 PRO 43 HG1 PRO 43 -8.448 -4.512 11.906 7 HD3 PRO 43 HD1 PRO 43 -6.225 -3.906 11.856 No H/Q in entry = 7 In of MODEL 22 1 HA3 GLY 44 HA2 GLY 44 -10.640 -0.290 7.037 2 H GLY 44 HN GLY 44 -9.217 -1.995 7.619 3 HA2 GLY 44 HA1 GLY 44 -10.670 0.138 8.741 No H/Q in entry = 3 In of MODEL 22 1 HA ASN 45 HA ASN 45 -8.337 3.376 6.651 2 HB2 ASN 45 HB2 ASN 45 -6.514 1.427 6.437 3 HD21 ASN 45 HD21 ASN 45 -5.363 2.515 7.882 4 HD22 ASN 45 HD22 ASN 45 -4.620 4.052 7.617 5 H ASN 45 HN ASN 45 -9.332 0.835 5.632 6 HB3 ASN 45 HB1 ASN 45 -6.509 1.981 4.766 No H/Q in entry = 6 In of MODEL 22 1 HA3 GLY 46 HA2 GLY 46 -9.276 3.730 2.197 2 H GLY 46 HN GLY 46 -8.697 1.312 3.775 3 HA2 GLY 46 HA1 GLY 46 -8.771 2.183 1.533 No H/Q in entry = 3 In of MODEL 23 1 H1 ALA 1 HT3 ALA 1 20.314 7.887 -0.108 2 H2 ALA 1 HT2 ALA 1 21.627 7.270 -1.026 3 H3 ALA 1 HT1 ALA 1 21.116 8.895 -1.239 4 HA ALA 1 HA ALA 1 20.365 7.584 -3.033 5 HB3 ALA 1 HB1 ALA 1 20.403 5.432 -1.815 6 HB1 ALA 1 HB2 ALA 1 18.912 5.688 -2.721 7 HB2 ALA 1 HB3 ALA 1 18.931 5.915 -0.973 No H/Q in entry = 7 In of MODEL 23 1 HA MET 2 HA MET 2 16.125 8.752 0.035 2 HB2 MET 2 HB2 MET 2 17.585 10.725 -0.078 3 H MET 2 HN MET 2 18.074 7.629 -0.298 4 HG2 MET 2 HG2 MET 2 14.860 10.951 -1.277 5 HE3 MET 2 HE1 MET 2 13.865 13.971 -2.081 6 HB3 MET 2 HB1 MET 2 17.387 10.776 -1.824 7 HE2 MET 2 HE2 MET 2 14.369 14.683 -0.548 8 HE1 MET 2 HE3 MET 2 13.677 13.061 -0.582 9 HG3 MET 2 HG1 MET 2 15.421 11.436 0.321 No H/Q in entry = 9 In of MODEL 23 1 HA ASP 3 HA ASP 3 14.425 7.218 -3.858 2 HB2 ASP 3 HB2 ASP 3 13.466 5.580 -1.565 3 H ASP 3 HN ASP 3 14.972 7.079 -1.065 4 HB3 ASP 3 HB1 ASP 3 12.446 5.643 -2.999 No H/Q in entry = 4 In of MODEL 23 1 HA CYS 4 HA CYS 4 10.720 9.550 -3.364 2 HB2 CYS 4 HB2 CYS 4 9.460 9.572 -5.571 3 H CYS 4 HN CYS 4 11.914 7.081 -4.437 4 HB3 CYS 4 HB1 CYS 4 11.190 9.881 -5.665 No H/Q in entry = 4 In of MODEL 23 1 HA THR 5 HA THR 5 8.035 5.923 -2.353 2 HB THR 5 HB THR 5 6.401 5.270 -4.403 3 HG1 THR 5 HG1 THR 5 6.554 6.883 -5.970 4 HG22 THR 5 HG21 THR 5 6.101 8.089 -3.986 5 HG21 THR 5 HG22 THR 5 6.448 7.272 -2.462 6 HG23 THR 5 HG23 THR 5 5.079 6.757 -3.447 7 H THR 5 HN THR 5 10.131 6.204 -4.221 No H/Q in entry = 7 In of MODEL 23 1 HA THR 6 HA THR 6 8.979 1.837 -3.633 2 HB THR 6 HB THR 6 10.896 0.919 -2.197 3 HG1 THR 6 HG1 THR 6 12.043 2.445 -1.032 4 HG22 THR 6 HG21 THR 6 12.330 3.076 -3.240 5 HG21 THR 6 HG22 THR 6 10.962 2.833 -4.326 6 HG23 THR 6 HG23 THR 6 12.061 1.498 -3.980 7 H THR 6 HN THR 6 8.919 4.042 -1.684 No H/Q in entry = 7 In of MODEL 23 1 HA3 GLY 7 HA2 GLY 7 7.462 -1.170 -0.801 2 H GLY 7 HN GLY 7 7.631 0.257 -3.099 3 HA2 GLY 7 HA1 GLY 7 6.406 0.198 -0.485 No H/Q in entry = 3 In of MODEL 23 1 HA PRO 8 HA PRO 8 4.011 -3.168 -2.695 2 HB2 PRO 8 HB2 PRO 8 2.056 -3.454 -0.847 3 HG2 PRO 8 HG2 PRO 8 2.748 -1.867 0.701 4 HD2 PRO 8 HD2 PRO 8 4.874 -0.986 0.666 5 HB3 PRO 8 HB1 PRO 8 3.582 -4.342 -0.762 6 HG3 PRO 8 HG1 PRO 8 3.603 -3.295 1.315 7 HD3 PRO 8 HD1 PRO 8 5.636 -2.581 0.505 No H/Q in entry = 7 In of MODEL 23 1 HA CYS 9 HA CYS 9 0.753 0.094 -2.762 2 HB2 CYS 9 HB2 CYS 9 0.613 0.531 -0.292 3 H CYS 9 HN CYS 9 3.126 -0.189 -1.071 4 HB3 CYS 9 HB1 CYS 9 1.681 1.909 -0.530 No H/Q in entry = 4 In of MODEL 23 1 HA CYS 10 HA CYS 10 3.079 2.546 -5.514 2 HB2 CYS 10 HB2 CYS 10 4.925 3.956 -4.796 3 H CYS 10 HN CYS 10 3.409 0.280 -3.898 4 HB3 CYS 10 HB1 CYS 10 3.784 3.752 -3.472 No H/Q in entry = 4 In of MODEL 23 1 HA ARG 11 HA ARG 11 6.708 0.754 -7.334 2 HB2 ARG 11 HB2 ARG 11 4.134 -0.067 -8.581 3 HG2 ARG 11 HG2 ARG 11 5.647 -1.193 -6.661 4 HD2 ARG 11 HD2 ARG 11 6.685 -2.125 -9.287 5 HE ARG 11 HE ARG 11 5.779 -3.976 -7.337 6 HH11 ARG 11 HH11 ARG 11 8.442 -3.321 -9.494 7 HH12 ARG 11 HH12 ARG 11 8.900 -4.985 -9.635 8 HH21 ARG 11 HH21 ARG 11 6.380 -6.165 -7.521 9 HH22 ARG 11 HH22 ARG 11 7.730 -6.600 -8.516 10 H ARG 11 HN ARG 11 4.299 2.380 -7.332 11 HB3 ARG 11 HB1 ARG 11 5.607 -0.373 -9.491 12 HG3 ARG 11 HG1 ARG 11 4.561 -2.094 -7.720 13 HD3 ARG 11 HD1 ARG 11 7.531 -1.896 -7.757 No H/Q in entry = 13 In of MODEL 23 1 HA GLN 12 HA GLN 12 9.118 2.573 -10.538 2 HB2 GLN 12 HB2 GLN 12 7.242 1.447 -11.866 3 HG2 GLN 12 HG2 GLN 12 8.367 4.077 -12.789 4 HE21 GLN 12 HE21 GLN 12 6.724 4.869 -14.018 5 HE22 GLN 12 HE22 GLN 12 6.089 4.058 -15.405 6 H GLN 12 HN GLN 12 8.134 1.307 -8.926 7 HB3 GLN 12 HB1 GLN 12 6.379 2.973 -11.729 8 HG3 GLN 12 HG1 GLN 12 9.001 2.462 -13.105 No H/Q in entry = 8 In of MODEL 23 1 HA CYS 13 HA CYS 13 8.377 5.968 -7.274 2 HB2 CYS 13 HB2 CYS 13 9.963 6.340 -9.288 3 H CYS 13 HN CYS 13 8.484 3.885 -8.179 4 HB3 CYS 13 HB1 CYS 13 8.584 7.138 -10.035 No H/Q in entry = 4 In of MODEL 23 1 HA LYS 14 HA LYS 14 4.204 7.007 -8.032 2 HB2 LYS 14 HB2 LYS 14 4.290 4.882 -10.115 3 HG2 LYS 14 HG2 LYS 14 4.800 7.476 -10.295 4 HD2 LYS 14 HD2 LYS 14 2.041 7.557 -11.354 5 HE2 LYS 14 HE2 LYS 14 4.119 9.418 -10.362 6 HZ2 LYS 14 HZ1 LYS 14 2.276 9.997 -8.940 7 HZ1 LYS 14 HZ2 LYS 14 1.222 10.058 -10.261 8 HZ3 LYS 14 HZ3 LYS 14 2.473 11.188 -10.126 9 H LYS 14 HN LYS 14 5.944 4.677 -7.935 10 HB3 LYS 14 HB1 LYS 14 2.710 5.479 -9.627 11 HG3 LYS 14 HG1 LYS 14 4.065 6.564 -11.615 12 HD3 LYS 14 HD1 LYS 14 2.219 7.704 -9.604 13 HE3 LYS 14 HE1 LYS 14 3.063 9.545 -11.768 No H/Q in entry = 13 In of MODEL 23 1 HA LEU 15 HA LEU 15 2.507 4.520 -4.868 2 HB2 LEU 15 HB2 LEU 15 0.875 5.746 -3.604 3 HG LEU 15 HG LEU 15 -0.173 6.794 -5.822 4 HD12 LEU 15 HD11 LEU 15 -0.361 8.623 -3.521 5 HD11 LEU 15 HD12 LEU 15 -0.717 6.928 -3.191 6 HD13 LEU 15 HD13 LEU 15 -1.629 7.796 -4.425 7 HD22 LEU 15 HD21 LEU 15 1.351 8.304 -6.593 8 HD21 LEU 15 HD22 LEU 15 1.983 8.658 -4.985 9 HD23 LEU 15 HD23 LEU 15 0.442 9.346 -5.498 10 H LEU 15 HN LEU 15 2.747 6.848 -6.466 11 HB3 LEU 15 HB1 LEU 15 2.194 6.823 -4.022 No H/Q in entry = 11 In of MODEL 23 1 HA LYS 16 HA LYS 16 -0.590 2.382 -6.982 2 HB2 LYS 16 HB2 LYS 16 -0.662 1.429 -4.141 3 HG2 LYS 16 HG2 LYS 16 1.098 0.635 -5.729 4 HD2 LYS 16 HD2 LYS 16 -1.268 -0.686 -7.054 5 HE2 LYS 16 HE2 LYS 16 0.265 -1.823 -8.453 6 HZ2 LYS 16 HZ1 LYS 16 1.372 -3.241 -6.967 7 HZ1 LYS 16 HZ2 LYS 16 0.003 -2.711 -6.128 8 HZ3 LYS 16 HZ3 LYS 16 1.517 -2.044 -5.780 9 H LYS 16 HN LYS 16 0.757 3.115 -4.591 10 HB3 LYS 16 HB1 LYS 16 -1.868 0.856 -5.285 11 HG3 LYS 16 HG1 LYS 16 0.106 -0.637 -5.013 12 HD3 LYS 16 HD1 LYS 16 -0.231 0.552 -7.767 13 HE3 LYS 16 HE1 LYS 16 1.631 -0.906 -7.820 No H/Q in entry = 13 In of MODEL 23 1 HA PRO 17 HA PRO 17 -4.369 4.629 -6.735 2 HB2 PRO 17 HB2 PRO 17 -6.212 2.808 -7.547 3 HG2 PRO 17 HG2 PRO 17 -4.954 0.869 -7.331 4 HD2 PRO 17 HD2 PRO 17 -2.659 0.923 -7.120 5 HB3 PRO 17 HB1 PRO 17 -5.050 3.555 -8.649 6 HG3 PRO 17 HG1 PRO 17 -4.563 1.309 -9.004 7 HD3 PRO 17 HD1 PRO 17 -2.468 2.093 -8.441 No H/Q in entry = 7 In of MODEL 23 1 HA ALA 18 HA ALA 18 -6.047 3.932 -2.799 2 HB1 ALA 18 HB1 ALA 18 -6.758 6.233 -3.221 3 HB2 ALA 18 HB2 ALA 18 -8.003 5.323 -2.365 4 HB3 ALA 18 HB3 ALA 18 -8.172 5.638 -4.092 5 H ALA 18 HN ALA 18 -5.998 5.113 -5.331 No H/Q in entry = 5 In of MODEL 23 1 HA3 GLY 19 HA2 GLY 19 -8.846 0.670 -2.332 2 H GLY 19 HN GLY 19 -6.465 1.770 -2.719 3 HA2 GLY 19 HA1 GLY 19 -8.812 0.706 -4.088 No H/Q in entry = 3 In of MODEL 23 1 HA THR 20 HA THR 20 -5.905 -2.549 -4.341 2 HB THR 20 HB THR 20 -3.329 -1.102 -3.912 3 HG1 THR 20 HG1 THR 20 -5.093 -0.691 -6.085 4 HG22 THR 20 HG21 THR 20 -2.925 -2.342 -6.165 5 HG21 THR 20 HG22 THR 20 -4.309 -3.307 -5.651 6 HG23 THR 20 HG23 THR 20 -2.868 -3.222 -4.637 7 H THR 20 HN THR 20 -5.875 0.254 -4.109 No H/Q in entry = 7 In of MODEL 23 1 HA THR 21 HA THR 21 -4.550 -3.558 -0.312 2 HB THR 21 HB THR 21 -3.637 -6.015 -0.355 3 HG1 THR 21 HG1 THR 21 -3.156 -5.787 -2.674 4 HG22 THR 21 HG21 THR 21 -6.079 -6.624 -1.394 5 HG21 THR 21 HG22 THR 21 -6.313 -4.967 -0.836 6 HG23 THR 21 HG23 THR 21 -5.758 -6.207 0.289 7 H THR 21 HN THR 21 -4.153 -3.916 -3.195 No H/Q in entry = 7 In of MODEL 23 1 HA CYS 22 HA CYS 22 -0.266 -2.918 0.051 2 HB2 CYS 22 HB2 CYS 22 -1.194 -1.634 1.921 3 H CYS 22 HN CYS 22 -2.836 -3.726 1.153 4 HB3 CYS 22 HB1 CYS 22 -1.220 -3.084 2.918 No H/Q in entry = 4 In of MODEL 23 1 HA TRP 23 HA TRP 23 1.195 -6.739 2.098 2 HB2 TRP 23 HB2 TRP 23 0.528 -5.888 4.477 3 HD1 TRP 23 HD1 TRP 23 3.050 -7.238 3.177 4 HE1 TRP 23 HE1 TRP 23 4.317 -9.093 4.434 5 HE3 TRP 23 HE3 TRP 23 -0.658 -8.742 6.359 6 HZ2 TRP 23 HZ2 TRP 23 3.811 -10.948 6.500 7 HZ3 TRP 23 HZ3 TRP 23 -0.185 -10.563 7.944 8 HH2 TRP 23 HH2 TRP 23 2.003 -11.643 8.012 9 H TRP 23 HN TRP 23 -1.106 -5.072 2.763 10 HB3 TRP 23 HB1 TRP 23 -0.614 -7.227 4.441 No H/Q in entry = 10 In of MODEL 23 1 HA ARG 24 HA ARG 24 -1.988 -9.332 0.338 2 HB2 ARG 24 HB2 ARG 24 -1.016 -8.333 -1.740 3 HG2 ARG 24 HG2 ARG 24 -1.060 -10.678 -3.037 4 HD2 ARG 24 HD2 ARG 24 -3.500 -10.428 -3.172 5 HE ARG 24 HE ARG 24 -2.804 -7.667 -3.278 6 HH11 ARG 24 HH11 ARG 24 -2.166 -10.769 -4.746 7 HH12 ARG 24 HH12 ARG 24 -1.696 -10.092 -6.268 8 HH21 ARG 24 HH21 ARG 24 -2.186 -6.775 -5.280 9 HH22 ARG 24 HH22 ARG 24 -1.706 -7.824 -6.572 10 H ARG 24 HN ARG 24 0.505 -7.878 0.298 11 HB3 ARG 24 HB1 ARG 24 0.277 -9.521 -1.654 12 HG3 ARG 24 HG1 ARG 24 -1.861 -11.149 -1.537 13 HD3 ARG 24 HD1 ARG 24 -3.448 -9.297 -1.820 No H/Q in entry = 13 In of MODEL 23 1 HA THR 25 HA THR 25 0.389 -12.773 1.852 2 HB THR 25 HB THR 25 -0.335 -13.051 4.443 3 HG1 THR 25 HG1 THR 25 -0.401 -10.262 3.939 4 HG21 THR 25 HG21 THR 25 1.976 -12.661 3.377 5 HG23 THR 25 HG22 THR 25 1.719 -12.200 5.060 6 HG22 THR 25 HG23 THR 25 1.704 -10.970 3.796 7 H THR 25 HN THR 25 -1.494 -10.561 2.290 No H/Q in entry = 7 In of MODEL 23 1 HA SER 26 HA SER 26 -4.770 -13.304 1.540 2 HB2 SER 26 HB2 SER 26 -3.014 -14.767 0.285 3 HG SER 26 HG SER 26 -5.131 -15.113 -0.178 4 H SER 26 HN SER 26 -2.933 -12.015 1.952 5 HB3 SER 26 HB1 SER 26 -3.141 -15.825 1.690 No H/Q in entry = 5 In of MODEL 23 1 HA VAL 27 HA VAL 27 -4.888 -14.808 5.769 2 HB VAL 27 HB VAL 27 -3.734 -13.594 7.701 3 H VAL 27 HN VAL 27 -3.790 -12.595 4.163 No H/Q in entry = 3 In of MODEL 23 1 HA SER 28 HA SER 28 -7.626 -11.259 6.432 2 HB2 SER 28 HB2 SER 28 -5.547 -10.369 7.848 3 HG SER 28 HG SER 28 -7.005 -9.110 8.942 4 H SER 28 HN SER 28 -5.032 -11.374 5.094 5 HB3 SER 28 HB1 SER 28 -5.825 -8.925 6.874 No H/Q in entry = 5 In of MODEL 23 1 HA SER 29 HA SER 29 -7.973 -8.201 3.221 2 HB2 SER 29 HB2 SER 29 -10.335 -7.873 5.058 3 HG SER 29 HG SER 29 -11.273 -8.887 3.079 4 H SER 29 HN SER 29 -8.219 -8.626 6.128 5 HB3 SER 29 HB1 SER 29 -10.246 -6.999 3.529 No H/Q in entry = 5 In of MODEL 23 1 HA HIS 30 HA HIS 30 -6.867 -4.188 4.630 2 HB2 HIS 30 HB2 HIS 30 -4.358 -5.639 3.872 3 HD1 HIS 30 HD1 HIS 30 -2.605 -5.002 6.051 4 HD2 HIS 30 HD2 HIS 30 -6.714 -5.110 6.658 5 HE1 HIS 30 HE1 HIS 30 -2.910 -5.322 8.526 6 HE2 HIS 30 HE2 HIS 30 -5.404 -5.298 8.881 7 H HIS 30 HN HIS 30 -6.454 -6.650 3.062 8 HB3 HIS 30 HB1 HIS 30 -4.315 -3.893 4.090 No H/Q in entry = 8 In of MODEL 23 1 HA TYR 31 HA TYR 31 -5.743 -2.270 0.682 2 HB2 TYR 31 HB2 TYR 31 -8.155 -0.951 1.946 3 HD1 TYR 31 HD1 TYR 31 -7.398 -3.057 -1.046 4 HD2 TYR 31 HD2 TYR 31 -9.731 -2.554 2.476 5 HE1 TYR 31 HE1 TYR 31 -8.705 -5.056 -1.633 6 HE2 TYR 31 HE2 TYR 31 -11.044 -4.552 1.899 7 HH TYR 31 HH TYR 31 -10.592 -6.701 0.463 8 H TYR 31 HN TYR 31 -6.013 -2.209 3.552 9 HB3 TYR 31 HB1 TYR 31 -7.674 -0.774 0.262 No H/Q in entry = 9 In of MODEL 23 1 HA CYS 32 HA CYS 32 -3.874 1.516 1.752 2 HB2 CYS 32 HB2 CYS 32 -3.058 0.554 -0.674 3 H CYS 32 HN CYS 32 -5.272 -0.136 -0.217 4 HB3 CYS 32 HB1 CYS 32 -3.572 2.183 -1.100 No H/Q in entry = 4 In of MODEL 23 1 HA THR 33 HA THR 33 -6.747 4.715 1.312 2 HB THR 33 HB THR 33 -5.821 6.906 2.156 3 HG1 THR 33 HG1 THR 33 -3.712 6.873 2.952 4 HG22 THR 33 HG21 THR 33 -4.970 5.778 4.408 5 HG21 THR 33 HG22 THR 33 -5.750 4.376 3.675 6 HG23 THR 33 HG23 THR 33 -6.674 5.851 3.958 7 H THR 33 HN THR 33 -4.061 3.805 1.748 No H/Q in entry = 7 In of MODEL 23 1 HA3 GLY 34 HA2 GLY 34 -3.424 5.868 -2.467 2 H GLY 34 HN GLY 34 -3.567 5.544 -0.050 3 HA2 GLY 34 HA1 GLY 34 -4.989 6.663 -2.385 No H/Q in entry = 3 In of MODEL 23 1 HA ARG 35 HA ARG 35 -2.198 9.971 -1.101 2 HB2 ARG 35 HB2 ARG 35 -2.599 9.019 1.693 3 HG2 ARG 35 HG2 ARG 35 -3.578 11.252 -0.006 4 HD2 ARG 35 HD2 ARG 35 -2.544 12.034 2.292 5 HE ARG 35 HE ARG 35 -3.660 10.995 4.000 6 HH11 ARG 35 HH11 ARG 35 -5.970 12.027 1.597 7 HH12 ARG 35 HH12 ARG 35 -7.346 11.654 2.579 8 HH21 ARG 35 HH21 ARG 35 -5.470 10.503 5.293 9 HH22 ARG 35 HH22 ARG 35 -7.063 10.790 4.677 10 H ARG 35 HN ARG 35 -2.599 7.291 0.054 11 HB3 ARG 35 HB1 ARG 35 -1.544 10.403 1.442 12 HG3 ARG 35 HG1 ARG 35 -4.474 10.148 1.039 13 HD3 ARG 35 HD1 ARG 35 -4.079 12.674 1.706 No H/Q in entry = 13 In of MODEL 23 1 HA SER 36 HA SER 36 1.881 7.973 -0.725 2 HB2 SER 36 HB2 SER 36 2.148 9.198 1.297 3 HG SER 36 HG SER 36 3.888 8.201 2.127 4 H SER 36 HN SER 36 -0.656 7.222 0.436 5 HB3 SER 36 HB1 SER 36 1.463 7.893 2.264 No H/Q in entry = 5 In of MODEL 23 1 HA CYS 37 HA CYS 37 2.516 3.712 -0.751 2 HB2 CYS 37 HB2 CYS 37 4.834 4.704 -1.341 3 H CYS 37 HN CYS 37 3.593 6.266 -0.083 4 HB3 CYS 37 HB1 CYS 37 5.314 4.150 0.260 No H/Q in entry = 4 In of MODEL 23 1 HA GLU 38 HA GLU 38 3.738 2.942 3.811 2 HB2 GLU 38 HB2 GLU 38 3.392 5.865 4.370 3 HG2 GLU 38 HG2 GLU 38 5.553 3.893 4.541 4 H GLU 38 HN GLU 38 3.535 5.263 2.207 5 HB3 GLU 38 HB1 GLU 38 3.229 4.704 5.681 6 HG3 GLU 38 HG1 GLU 38 5.617 5.633 4.267 No H/Q in entry = 6 In of MODEL 23 1 HA CYS 39 HA CYS 39 -0.761 2.541 3.450 2 HB2 CYS 39 HB2 CYS 39 -1.343 0.174 3.503 3 H CYS 39 HN CYS 39 1.898 1.692 3.237 4 HB3 CYS 39 HB1 CYS 39 -0.069 0.457 2.321 No H/Q in entry = 4 In of MODEL 23 1 HA PRO 40 HA PRO 40 -1.473 2.806 7.796 2 HB2 PRO 40 HB2 PRO 40 -4.112 2.191 7.923 3 HG2 PRO 40 HG2 PRO 40 -4.394 1.276 5.807 4 HD2 PRO 40 HD2 PRO 40 -2.845 1.586 4.131 5 HB3 PRO 40 HB1 PRO 40 -3.517 3.728 7.284 6 HG3 PRO 40 HG1 PRO 40 -4.750 2.978 5.460 7 HD3 PRO 40 HD1 PRO 40 -2.710 3.328 4.446 No H/Q in entry = 7 In of MODEL 23 1 HA SER 41 HA SER 41 -2.058 -1.347 9.209 2 HB2 SER 41 HB2 SER 41 -1.200 0.495 11.390 3 HG SER 41 HG SER 41 0.013 -1.920 10.627 4 H SER 41 HN SER 41 -2.517 1.532 9.641 5 HB3 SER 41 HB1 SER 41 -1.622 -1.159 11.835 No H/Q in entry = 5 In of MODEL 23 1 HA TYR 42 HA TYR 42 -6.090 -1.145 11.135 2 HB2 TYR 42 HB2 TYR 42 -6.397 1.444 9.709 3 HD1 TYR 42 HD1 TYR 42 -4.612 0.988 11.923 4 HD2 TYR 42 HD2 TYR 42 -8.812 1.665 11.972 5 HE1 TYR 42 HE1 TYR 42 -4.436 1.876 14.209 6 HE2 TYR 42 HE2 TYR 42 -8.648 2.556 14.258 7 HH TYR 42 HH TYR 42 -7.173 2.445 16.176 8 H TYR 42 HN TYR 42 -4.574 0.073 8.920 9 HB3 TYR 42 HB1 TYR 42 -7.876 0.597 10.147 No H/Q in entry = 9 In of MODEL 23 1 HA PRO 43 HA PRO 43 -8.050 -3.765 8.177 2 HB2 PRO 43 HB2 PRO 43 -10.456 -4.175 9.362 3 HG2 PRO 43 HG2 PRO 43 -10.407 -2.464 10.931 4 HD2 PRO 43 HD2 PRO 43 -8.453 -1.376 11.484 5 HB3 PRO 43 HB1 PRO 43 -8.958 -4.898 9.960 6 HG3 PRO 43 HG1 PRO 43 -9.659 -3.770 11.870 7 HD3 PRO 43 HD1 PRO 43 -7.541 -2.890 11.643 No H/Q in entry = 7 In of MODEL 23 1 HA3 GLY 44 HA2 GLY 44 -9.167 -0.280 5.346 2 H GLY 44 HN GLY 44 -8.046 -1.465 6.969 3 HA2 GLY 44 HA1 GLY 44 -10.537 -1.350 5.597 No H/Q in entry = 3 In of MODEL 23 1 HA ASN 45 HA ASN 45 -11.423 2.869 7.221 2 HB2 ASN 45 HB2 ASN 45 -9.977 1.635 9.508 3 HD21 ASN 45 HD21 ASN 45 -12.945 3.505 9.022 4 HD22 ASN 45 HD22 ASN 45 -14.025 2.219 9.426 5 H ASN 45 HN ASN 45 -8.941 1.574 6.728 6 HB3 ASN 45 HB1 ASN 45 -10.629 3.253 9.751 No H/Q in entry = 6 In of MODEL 23 1 HA3 GLY 46 HA2 GLY 46 -8.080 5.738 6.596 2 H GLY 46 HN GLY 46 -10.665 4.558 6.021 3 HA2 GLY 46 HA1 GLY 46 -9.217 6.262 5.362 No H/Q in entry = 3 In of MODEL 24 1 H1 ALA 1 HT3 ALA 1 10.674 15.317 -0.014 2 H2 ALA 1 HT2 ALA 1 10.513 13.921 0.971 3 H3 ALA 1 HT1 ALA 1 11.106 15.384 1.643 4 HA ALA 1 HA ALA 1 13.084 15.253 0.521 5 HB3 ALA 1 HB1 ALA 1 13.424 13.841 2.272 6 HB2 ALA 1 HB2 ALA 1 13.674 12.703 0.948 7 HB1 ALA 1 HB3 ALA 1 12.125 12.749 1.791 No H/Q in entry = 7 In of MODEL 24 1 HA MET 2 HA MET 2 10.573 11.870 -2.756 2 HB2 MET 2 HB2 MET 2 10.689 14.308 -3.446 3 H MET 2 HN MET 2 10.796 12.859 -0.721 4 HG2 MET 2 HG2 MET 2 11.809 12.401 -5.485 5 HE1 MET 2 HE1 MET 2 8.601 14.636 -5.514 6 HB3 MET 2 HB1 MET 2 12.387 14.036 -3.816 7 HE3 MET 2 HE2 MET 2 9.201 16.135 -6.225 8 HE2 MET 2 HE3 MET 2 9.735 15.646 -4.617 9 HG3 MET 2 HG1 MET 2 10.104 12.519 -5.056 No H/Q in entry = 9 In of MODEL 24 1 HA ASP 3 HA ASP 3 14.235 9.758 -3.869 2 HB2 ASP 3 HB2 ASP 3 13.439 8.939 -1.111 3 H ASP 3 HN ASP 3 11.517 9.941 -2.879 4 HB3 ASP 3 HB1 ASP 3 14.592 7.931 -1.980 No H/Q in entry = 4 In of MODEL 24 1 HA CYS 4 HA CYS 4 10.630 7.506 -6.159 2 HB2 CYS 4 HB2 CYS 4 13.419 6.536 -5.902 3 H CYS 4 HN CYS 4 11.671 9.135 -4.963 4 HB3 CYS 4 HB1 CYS 4 12.223 5.342 -6.391 No H/Q in entry = 4 In of MODEL 24 1 HA THR 5 HA THR 5 9.386 5.474 -2.297 2 HB THR 5 HB THR 5 7.019 5.646 -2.013 3 HG1 THR 5 HG1 THR 5 5.658 6.283 -3.646 4 HG23 THR 5 HG21 THR 5 7.117 7.782 -1.476 5 HG22 THR 5 HG22 THR 5 6.991 8.241 -3.175 6 HG21 THR 5 HG23 THR 5 8.574 7.948 -2.456 7 H THR 5 HN THR 5 9.098 7.243 -4.450 No H/Q in entry = 7 In of MODEL 24 1 HA THR 6 HA THR 6 8.270 1.755 -4.347 2 HB THR 6 HB THR 6 10.468 1.780 -5.196 3 HG1 THR 6 HG1 THR 6 10.427 -0.514 -3.538 4 HG23 THR 6 HG21 THR 6 11.939 2.658 -3.706 5 HG22 THR 6 HG22 THR 6 12.355 0.951 -3.563 6 HG21 THR 6 HG23 THR 6 11.315 1.709 -2.357 7 H THR 6 HN THR 6 9.682 3.355 -2.326 No H/Q in entry = 7 In of MODEL 24 1 HA3 GLY 7 HA2 GLY 7 8.372 -1.721 -1.431 2 H GLY 7 HN GLY 7 7.685 -0.352 -3.706 3 HA2 GLY 7 HA1 GLY 7 7.126 -0.600 -0.906 No H/Q in entry = 3 In of MODEL 24 1 HA PRO 8 HA PRO 8 4.862 -4.363 -2.237 2 HB2 PRO 8 HB2 PRO 8 2.816 -4.054 -0.482 3 HG2 PRO 8 HG2 PRO 8 3.421 -2.021 0.461 4 HD2 PRO 8 HD2 PRO 8 5.537 -1.147 0.212 5 HB3 PRO 8 HB1 PRO 8 4.347 -4.822 -0.046 6 HG3 PRO 8 HG1 PRO 8 4.271 -3.133 1.550 7 HD3 PRO 8 HD1 PRO 8 6.325 -2.689 0.604 No H/Q in entry = 7 In of MODEL 24 1 HA CYS 9 HA CYS 9 1.291 -1.640 -3.395 2 HB2 CYS 9 HB2 CYS 9 0.808 -0.633 -1.146 3 H CYS 9 HN CYS 9 3.336 -1.254 -1.375 4 HB3 CYS 9 HB1 CYS 9 1.749 0.772 -1.635 No H/Q in entry = 4 In of MODEL 24 1 HA CYS 10 HA CYS 10 3.839 1.126 -5.826 2 HB2 CYS 10 HB2 CYS 10 6.412 1.074 -4.258 3 H CYS 10 HN CYS 10 4.385 -0.809 -3.675 4 HB3 CYS 10 HB1 CYS 10 5.815 2.335 -5.330 No H/Q in entry = 4 In of MODEL 24 1 HA ARG 11 HA ARG 11 6.210 -1.588 -8.237 2 HB2 ARG 11 HB2 ARG 11 6.171 1.036 -9.665 3 HG2 ARG 11 HG2 ARG 11 4.915 -1.637 -10.009 4 HD2 ARG 11 HD2 ARG 11 5.317 0.365 -12.228 5 HE ARG 11 HE ARG 11 3.382 -0.588 -12.971 6 HH11 ARG 11 HH11 ARG 11 5.323 -3.063 -11.458 7 HH12 ARG 11 HH12 ARG 11 4.263 -4.352 -11.921 8 HH21 ARG 11 HH21 ARG 11 1.988 -2.282 -13.581 9 HH22 ARG 11 HH22 ARG 11 2.370 -3.909 -13.127 10 H ARG 11 HN ARG 11 5.592 1.154 -7.505 11 HB3 ARG 11 HB1 ARG 11 7.143 -0.270 -10.328 12 HG3 ARG 11 HG1 ARG 11 4.192 -0.029 -10.090 13 HD3 ARG 11 HD1 ARG 11 6.036 -1.243 -12.146 No H/Q in entry = 13 In of MODEL 24 1 HA GLN 12 HA GLN 12 10.346 0.262 -7.177 2 HB2 GLN 12 HB2 GLN 12 10.390 0.215 -10.161 3 HG2 GLN 12 HG2 GLN 12 10.233 -1.884 -8.875 4 HE21 GLN 12 HE21 GLN 12 13.607 -2.044 -8.964 5 HE22 GLN 12 HE22 GLN 12 13.892 -2.167 -7.265 6 H GLN 12 HN GLN 12 8.190 1.297 -8.810 7 HB3 GLN 12 HB1 GLN 12 11.877 0.599 -9.307 8 HG3 GLN 12 HG1 GLN 12 11.675 -1.784 -9.883 No H/Q in entry = 8 In of MODEL 24 1 HA CYS 13 HA CYS 13 10.403 4.650 -6.728 2 HB2 CYS 13 HB2 CYS 13 11.269 4.587 -9.019 3 H CYS 13 HN CYS 13 8.589 2.709 -7.547 4 HB3 CYS 13 HB1 CYS 13 9.656 4.895 -9.651 No H/Q in entry = 4 In of MODEL 24 1 HA LYS 14 HA LYS 14 6.134 6.182 -6.906 2 HB2 LYS 14 HB2 LYS 14 5.227 5.136 -9.592 3 HG2 LYS 14 HG2 LYS 14 6.299 7.882 -9.281 4 HD2 LYS 14 HD2 LYS 14 5.236 6.501 -11.354 5 HE2 LYS 14 HE2 LYS 14 8.135 6.490 -12.037 6 HZ1 LYS 14 HZ1 LYS 14 5.740 5.013 -12.966 7 HZ3 LYS 14 HZ2 LYS 14 7.310 4.623 -13.457 8 HZ2 LYS 14 HZ3 LYS 14 6.661 6.140 -13.829 9 H LYS 14 HN LYS 14 7.397 4.009 -8.448 10 HB3 LYS 14 HB1 LYS 14 4.568 6.511 -8.716 11 HG3 LYS 14 HG1 LYS 14 7.453 6.554 -9.419 12 HD3 LYS 14 HD1 LYS 14 6.357 7.853 -11.530 13 HE3 LYS 14 HE1 LYS 14 7.463 5.111 -11.168 No H/Q in entry = 13 In of MODEL 24 1 HA LEU 15 HA LEU 15 3.526 3.049 -5.433 2 HB2 LEU 15 HB2 LEU 15 3.352 5.066 -3.857 3 HG LEU 15 HG LEU 15 2.183 2.652 -3.608 4 HD11 LEU 15 HD11 LEU 15 3.164 4.140 -1.852 5 HD13 LEU 15 HD12 LEU 15 1.746 3.226 -1.340 6 HD12 LEU 15 HD13 LEU 15 1.595 4.937 -1.740 7 HD21 LEU 15 HD21 LEU 15 0.023 4.597 -4.129 8 HD23 LEU 15 HD22 LEU 15 -0.215 3.501 -2.768 9 HD22 LEU 15 HD23 LEU 15 0.069 2.853 -4.383 10 H LEU 15 HN LEU 15 4.020 5.819 -6.118 11 HB3 LEU 15 HB1 LEU 15 1.825 5.400 -4.651 No H/Q in entry = 11 In of MODEL 24 1 HA LYS 16 HA LYS 16 0.381 2.382 -8.306 2 HB2 LYS 16 HB2 LYS 16 0.023 0.491 -6.066 3 HG2 LYS 16 HG2 LYS 16 -0.384 -0.337 -8.863 4 HD2 LYS 16 HD2 LYS 16 1.168 -1.315 -6.481 5 HE2 LYS 16 HE2 LYS 16 1.169 -2.389 -9.296 6 HZ3 LYS 16 HZ1 LYS 16 2.824 -3.970 -7.962 7 HZ2 LYS 16 HZ2 LYS 16 1.197 -4.352 -8.223 8 HZ1 LYS 16 HZ3 LYS 16 1.681 -3.685 -6.746 9 H LYS 16 HN LYS 16 1.450 2.031 -5.684 10 HB3 LYS 16 HB1 LYS 16 -1.375 0.688 -7.114 11 HG3 LYS 16 HG1 LYS 16 1.218 0.286 -8.462 12 HD3 LYS 16 HD1 LYS 16 -0.228 -2.062 -7.261 13 HE3 LYS 16 HE1 LYS 16 2.556 -1.790 -8.387 No H/Q in entry = 13 In of MODEL 24 1 HA PRO 17 HA PRO 17 -3.085 5.053 -7.892 2 HB2 PRO 17 HB2 PRO 17 -4.875 2.771 -8.582 3 HG2 PRO 17 HG2 PRO 17 -3.744 2.253 -10.550 4 HD2 PRO 17 HD2 PRO 17 -2.284 1.364 -9.002 5 HB3 PRO 17 HB1 PRO 17 -4.766 4.376 -9.313 6 HG3 PRO 17 HG1 PRO 17 -2.907 3.816 -10.584 7 HD3 PRO 17 HD1 PRO 17 -1.182 2.551 -9.728 No H/Q in entry = 7 In of MODEL 24 1 HA ALA 18 HA ALA 18 -4.522 4.468 -3.841 2 HB1 ALA 18 HB1 ALA 18 -4.989 6.813 -4.050 3 HB2 ALA 18 HB2 ALA 18 -6.377 6.028 -3.296 4 HB3 ALA 18 HB3 ALA 18 -6.439 6.485 -4.999 5 H ALA 18 HN ALA 18 -4.482 5.710 -6.324 No H/Q in entry = 5 In of MODEL 24 1 HA3 GLY 19 HA2 GLY 19 -7.914 1.870 -2.687 2 H GLY 19 HN GLY 19 -5.653 2.846 -2.979 3 HA2 GLY 19 HA1 GLY 19 -8.049 1.912 -4.438 No H/Q in entry = 3 In of MODEL 24 1 HA THR 20 HA THR 20 -5.560 -1.661 -5.013 2 HB THR 20 HB THR 20 -2.831 -0.553 -4.456 3 HG1 THR 20 HG1 THR 20 -4.337 -0.067 -6.809 4 HG23 THR 20 HG21 THR 20 -2.708 -2.778 -5.141 5 HG22 THR 20 HG22 THR 20 -2.366 -1.842 -6.596 6 HG21 THR 20 HG23 THR 20 -3.959 -2.564 -6.366 7 H THR 20 HN THR 20 -5.164 1.078 -4.651 No H/Q in entry = 7 In of MODEL 24 1 HA THR 21 HA THR 21 -4.779 -3.148 -1.010 2 HB THR 21 HB THR 21 -4.459 -5.764 -1.229 3 HG1 THR 21 HG1 THR 21 -5.173 -6.538 -3.189 4 HG21 THR 21 HG21 THR 21 -6.936 -4.214 -1.874 5 HG23 THR 21 HG22 THR 21 -6.503 -5.045 -0.380 6 HG22 THR 21 HG23 THR 21 -6.930 -5.977 -1.815 7 H THR 21 HN THR 21 -4.641 -3.473 -3.897 No H/Q in entry = 7 In of MODEL 24 1 HA CYS 22 HA CYS 22 -0.422 -2.948 -0.753 2 HB2 CYS 22 HB2 CYS 22 -1.676 -2.874 1.941 3 H CYS 22 HN CYS 22 -3.044 -2.968 0.233 4 HB3 CYS 22 HB1 CYS 22 0.034 -3.284 1.865 No H/Q in entry = 4 In of MODEL 24 1 HA TRP 23 HA TRP 23 -0.568 -7.502 -0.141 2 HB2 TRP 23 HB2 TRP 23 0.816 -6.807 1.777 3 HD1 TRP 23 HD1 TRP 23 1.105 -9.314 0.110 4 HE1 TRP 23 HE1 TRP 23 1.575 -11.624 1.143 5 HE3 TRP 23 HE3 TRP 23 -0.577 -8.439 4.859 6 HZ2 TRP 23 HZ2 TRP 23 1.274 -12.906 3.640 7 HZ3 TRP 23 HZ3 TRP 23 -0.451 -10.260 6.509 8 HH2 TRP 23 HH2 TRP 23 0.455 -12.447 5.911 9 H TRP 23 HN TRP 23 -2.215 -5.443 1.011 10 HB3 TRP 23 HB1 TRP 23 -0.541 -7.103 2.859 No H/Q in entry = 10 In of MODEL 24 1 HA ARG 24 HA ARG 24 -4.922 -8.570 0.642 2 HB2 ARG 24 HB2 ARG 24 -5.808 -9.734 -1.326 3 HG2 ARG 24 HG2 ARG 24 -3.108 -9.281 -2.580 4 HD2 ARG 24 HD2 ARG 24 -4.262 -10.802 -4.336 5 HE ARG 24 HE ARG 24 -3.950 -8.114 -4.314 6 HH11 ARG 24 HH11 ARG 24 -6.477 -10.221 -5.479 7 HH12 ARG 24 HH12 ARG 24 -6.956 -9.149 -6.752 8 HH21 ARG 24 HH21 ARG 24 -4.580 -6.703 -5.988 9 HH22 ARG 24 HH22 ARG 24 -5.879 -7.152 -7.041 10 H ARG 24 HN ARG 24 -2.709 -7.958 -0.964 11 HB3 ARG 24 HB1 ARG 24 -5.109 -8.181 -1.764 12 HG3 ARG 24 HG1 ARG 24 -3.748 -10.848 -2.082 13 HD3 ARG 24 HD1 ARG 24 -5.757 -10.227 -3.599 No H/Q in entry = 13 In of MODEL 24 1 HA THR 25 HA THR 25 -4.309 -12.921 1.264 2 HB THR 25 HB THR 25 -3.503 -13.199 3.546 3 HG1 THR 25 HG1 THR 25 -4.941 -11.772 4.584 4 HG23 THR 25 HG21 THR 25 -1.595 -11.801 3.544 5 HG22 THR 25 HG22 THR 25 -2.399 -10.596 2.538 6 HG21 THR 25 HG23 THR 25 -1.972 -12.168 1.861 7 H THR 25 HN THR 25 -5.578 -10.365 1.697 No H/Q in entry = 7 In of MODEL 24 1 HA SER 26 HA SER 26 -8.031 -13.989 3.355 2 HB2 SER 26 HB2 SER 26 -6.485 -16.541 3.864 3 HG SER 26 HG SER 26 -7.960 -16.410 1.584 4 H SER 26 HN SER 26 -5.113 -14.360 3.356 5 HB3 SER 26 HB1 SER 26 -8.230 -16.384 3.663 No H/Q in entry = 5 In of MODEL 24 1 HA VAL 27 HA VAL 27 -8.218 -13.430 7.611 2 HB VAL 27 HB VAL 27 -5.976 -14.428 7.689 3 H VAL 27 HN VAL 27 -7.399 -12.398 5.141 No H/Q in entry = 3 In of MODEL 24 1 HA SER 28 HA SER 28 -8.061 -8.869 6.968 2 HB2 SER 28 HB2 SER 28 -6.406 -9.390 8.884 3 HG SER 28 HG SER 28 -6.025 -7.005 9.097 4 H SER 28 HN SER 28 -6.360 -10.929 5.969 5 HB3 SER 28 HB1 SER 28 -5.198 -8.610 7.862 No H/Q in entry = 5 In of MODEL 24 1 HA SER 29 HA SER 29 -5.509 -6.831 3.911 2 HB2 SER 29 HB2 SER 29 -8.182 -6.837 3.540 3 HG SER 29 HG SER 29 -6.430 -6.856 1.945 4 H SER 29 HN SER 29 -7.280 -6.673 6.244 5 HB3 SER 29 HB1 SER 29 -7.898 -5.098 3.616 No H/Q in entry = 5 In of MODEL 24 1 HA HIS 30 HA HIS 30 -4.482 -2.886 5.505 2 HB2 HIS 30 HB2 HIS 30 -2.382 -3.944 3.675 3 HD1 HIS 30 HD1 HIS 30 0.004 -3.404 5.310 4 HD2 HIS 30 HD2 HIS 30 -3.666 -4.273 7.053 5 HE1 HIS 30 HE1 HIS 30 0.539 -4.240 7.620 6 HE2 HIS 30 HE2 HIS 30 -1.702 -4.677 8.686 7 H HIS 30 HN HIS 30 -4.488 -4.875 3.340 8 HB3 HIS 30 HB1 HIS 30 -2.247 -2.266 4.192 No H/Q in entry = 8 In of MODEL 24 1 HA TYR 31 HA TYR 31 -5.546 -1.946 0.392 2 HB2 TYR 31 HB2 TYR 31 -6.668 -0.519 2.798 3 HD1 TYR 31 HD1 TYR 31 -7.641 -2.064 -0.471 4 HD2 TYR 31 HD2 TYR 31 -8.444 -1.671 3.689 5 HE1 TYR 31 HE1 TYR 31 -9.545 -3.603 -0.699 6 HE2 TYR 31 HE2 TYR 31 -10.349 -3.210 3.472 7 HH TYR 31 HH TYR 31 -10.817 -5.214 0.939 8 H TYR 31 HN TYR 31 -4.821 -3.321 2.052 9 HB3 TYR 31 HB1 TYR 31 -6.942 0.060 1.158 No H/Q in entry = 9 In of MODEL 24 1 HA CYS 32 HA CYS 32 -2.951 1.659 0.577 2 HB2 CYS 32 HB2 CYS 32 -3.813 1.216 -2.284 3 H CYS 32 HN CYS 32 -5.431 0.418 -0.418 4 HB3 CYS 32 HB1 CYS 32 -2.508 2.304 -1.825 No H/Q in entry = 4 In of MODEL 24 1 HA THR 33 HA THR 33 -5.363 5.284 -0.096 2 HB THR 33 HB THR 33 -4.476 5.668 2.070 3 HG1 THR 33 HG1 THR 33 -4.055 7.918 2.009 4 HG22 THR 33 HG21 THR 33 -1.882 6.560 0.840 5 HG21 THR 33 HG22 THR 33 -2.145 4.999 1.618 6 HG23 THR 33 HG23 THR 33 -2.279 6.486 2.557 7 H THR 33 HN THR 33 -2.732 3.961 0.018 No H/Q in entry = 7 In of MODEL 24 1 HA3 GLY 34 HA2 GLY 34 -1.357 6.124 -3.287 2 H GLY 34 HN GLY 34 -1.977 5.444 -1.084 3 HA2 GLY 34 HA1 GLY 34 -2.807 7.114 -3.355 No H/Q in entry = 3 In of MODEL 24 1 HA ARG 35 HA ARG 35 0.281 9.772 -1.351 2 HB2 ARG 35 HB2 ARG 35 -0.848 8.733 1.200 3 HG2 ARG 35 HG2 ARG 35 -0.875 11.600 0.502 4 HD2 ARG 35 HD2 ARG 35 -2.913 9.610 1.484 5 HE ARG 35 HE ARG 35 -3.597 12.372 1.719 6 HH11 ARG 35 HH11 ARG 35 -3.709 9.619 -0.423 7 HH12 ARG 35 HH12 ARG 35 -5.082 10.202 -1.303 8 HH21 ARG 35 HH21 ARG 35 -5.403 13.141 0.563 9 HH22 ARG 35 HH22 ARG 35 -6.043 12.201 -0.745 10 H ARG 35 HN ARG 35 -0.617 7.065 -0.618 11 HB3 ARG 35 HB1 ARG 35 0.432 9.935 1.302 12 HG3 ARG 35 HG1 ARG 35 -1.799 10.522 -0.546 13 HD3 ARG 35 HD1 ARG 35 -2.076 10.832 2.440 No H/Q in entry = 13 In of MODEL 24 1 HA SER 36 HA SER 36 3.829 7.130 -0.205 2 HB2 SER 36 HB2 SER 36 3.122 8.219 2.155 3 HG SER 36 HG SER 36 5.199 8.427 2.090 4 H SER 36 HN SER 36 1.023 6.840 0.471 5 HB3 SER 36 HB1 SER 36 3.371 6.552 2.671 No H/Q in entry = 5 In of MODEL 24 1 HA CYS 37 HA CYS 37 3.561 2.832 -0.349 2 HB2 CYS 37 HB2 CYS 37 6.187 3.623 -0.714 3 H CYS 37 HN CYS 37 5.065 5.185 0.206 4 HB3 CYS 37 HB1 CYS 37 6.314 2.374 0.520 No H/Q in entry = 4 In of MODEL 24 1 HA GLU 38 HA GLU 38 4.942 2.061 4.218 2 HB2 GLU 38 HB2 GLU 38 4.353 4.965 4.782 3 HG2 GLU 38 HG2 GLU 38 6.615 4.679 5.981 4 H GLU 38 HN GLU 38 4.802 4.295 2.535 5 HB3 GLU 38 HB1 GLU 38 4.507 3.764 6.058 6 HG3 GLU 38 HG1 GLU 38 6.792 3.246 4.969 No H/Q in entry = 6 In of MODEL 24 1 HA CYS 39 HA CYS 39 0.479 1.477 3.775 2 HB2 CYS 39 HB2 CYS 39 1.653 -1.211 4.517 3 H CYS 39 HN CYS 39 3.166 0.721 3.722 4 HB3 CYS 39 HB1 CYS 39 -0.017 -0.904 4.053 No H/Q in entry = 4 In of MODEL 24 1 HA PRO 40 HA PRO 40 -0.379 2.120 8.059 2 HB2 PRO 40 HB2 PRO 40 -3.025 1.551 8.130 3 HG2 PRO 40 HG2 PRO 40 -3.239 0.448 6.097 4 HD2 PRO 40 HD2 PRO 40 -1.619 0.583 4.466 5 HB3 PRO 40 HB1 PRO 40 -2.385 3.017 7.377 6 HG3 PRO 40 HG1 PRO 40 -3.560 2.114 5.583 7 HD3 PRO 40 HD1 PRO 40 -1.484 2.347 4.612 No H/Q in entry = 7 In of MODEL 24 1 HA SER 41 HA SER 41 -1.393 -1.921 9.722 2 HB2 SER 41 HB2 SER 41 -0.449 -1.691 12.186 3 HG SER 41 HG SER 41 0.135 0.257 12.659 4 H SER 41 HN SER 41 -1.590 1.001 9.934 5 HB3 SER 41 HB1 SER 41 0.625 -1.594 10.791 No H/Q in entry = 5 In of MODEL 24 1 HA TYR 42 HA TYR 42 -5.033 -1.226 12.103 2 HB2 TYR 42 HB2 TYR 42 -4.355 1.270 12.315 3 HD1 TYR 42 HD1 TYR 42 -4.913 1.600 14.519 4 HD2 TYR 42 HD2 TYR 42 -7.906 0.180 11.851 5 HE1 TYR 42 HE1 TYR 42 -6.544 1.600 16.359 6 HE2 TYR 42 HE2 TYR 42 -9.546 0.176 13.683 7 HH TYR 42 HH TYR 42 -9.357 1.784 16.325 8 H TYR 42 HN TYR 42 -3.678 -0.127 9.745 9 HB3 TYR 42 HB1 TYR 42 -5.650 1.561 11.159 No H/Q in entry = 9 In of MODEL 24 1 HA PRO 43 HA PRO 43 -7.433 -2.201 8.302 2 HB2 PRO 43 HB2 PRO 43 -8.371 -4.577 9.222 3 HG2 PRO 43 HG2 PRO 43 -7.478 -4.534 11.365 4 HD2 PRO 43 HD2 PRO 43 -5.790 -3.078 11.953 5 HB3 PRO 43 HB1 PRO 43 -6.789 -4.401 8.455 6 HG3 PRO 43 HG1 PRO 43 -6.153 -5.327 10.492 7 HD3 PRO 43 HD1 PRO 43 -4.850 -3.425 10.488 No H/Q in entry = 7 In of MODEL 24 1 HA3 GLY 44 HA2 GLY 44 -11.686 -1.559 9.017 2 H GLY 44 HN GLY 44 -9.224 -0.980 8.251 3 HA2 GLY 44 HA1 GLY 44 -11.041 -0.963 10.539 No H/Q in entry = 3 In of MODEL 24 1 HA ASN 45 HA ASN 45 -11.063 2.863 8.002 2 HB2 ASN 45 HB2 ASN 45 -10.323 1.554 5.394 3 HD21 ASN 45 HD21 ASN 45 -8.467 3.341 4.636 4 HD22 ASN 45 HD22 ASN 45 -7.187 3.418 5.794 5 H ASN 45 HN ASN 45 -10.682 0.115 7.163 6 HB3 ASN 45 HB1 ASN 45 -10.721 3.267 5.480 No H/Q in entry = 6 In of MODEL 24 1 HA3 GLY 46 HA2 GLY 46 -14.689 4.331 5.774 2 H GLY 46 HN GLY 46 -12.768 4.178 7.480 3 HA2 GLY 46 HA1 GLY 46 -15.157 2.785 6.466 No H/Q in entry = 3 In of MODEL 25 1 H1 ALA 1 HT3 ALA 1 13.328 5.699 -1.170 2 H2 ALA 1 HT2 ALA 1 14.321 4.398 -0.654 3 H3 ALA 1 HT1 ALA 1 13.638 5.469 0.500 4 HA ALA 1 HA ALA 1 15.784 6.153 0.350 5 HB3 ALA 1 HB1 ALA 1 16.796 5.050 -1.367 6 HB2 ALA 1 HB2 ALA 1 16.647 6.645 -2.105 7 HB1 ALA 1 HB3 ALA 1 15.485 5.378 -2.500 No H/Q in entry = 7 In of MODEL 25 1 HA MET 2 HA MET 2 12.261 9.507 0.297 2 HB2 MET 2 HB2 MET 2 14.540 10.027 1.285 3 H MET 2 HN MET 2 13.160 7.419 0.338 4 HG2 MET 2 HG2 MET 2 13.012 12.090 -0.254 5 HE3 MET 2 HE1 MET 2 16.702 12.922 2.362 6 HB3 MET 2 HB1 MET 2 15.035 10.516 -0.330 7 HE2 MET 2 HE2 MET 2 16.610 11.484 1.346 8 HE1 MET 2 HE3 MET 2 15.468 11.701 2.673 9 HG3 MET 2 HG1 MET 2 13.021 11.786 1.483 No H/Q in entry = 9 In of MODEL 25 1 HA ASP 3 HA ASP 3 10.902 12.018 -3.141 2 HB2 ASP 3 HB2 ASP 3 13.616 11.889 -3.306 3 H ASP 3 HN ASP 3 11.498 11.126 -1.135 4 HB3 ASP 3 HB1 ASP 3 13.153 10.899 -4.687 No H/Q in entry = 4 In of MODEL 25 1 HA CYS 4 HA CYS 4 10.683 8.316 -6.055 2 HB2 CYS 4 HB2 CYS 4 13.173 7.315 -5.110 3 H CYS 4 HN CYS 4 12.614 9.060 -4.160 4 HB3 CYS 4 HB1 CYS 4 12.021 5.984 -5.086 No H/Q in entry = 4 In of MODEL 25 1 HA THR 5 HA THR 5 7.601 7.014 -3.207 2 HB THR 5 HB THR 5 5.727 6.006 -4.807 3 HG1 THR 5 HG1 THR 5 5.911 6.582 -6.848 4 HG23 THR 5 HG21 THR 5 5.049 7.886 -3.694 5 HG22 THR 5 HG22 THR 5 5.078 8.464 -5.360 6 HG21 THR 5 HG23 THR 5 6.409 8.851 -4.269 7 H THR 5 HN THR 5 8.663 7.698 -5.712 No H/Q in entry = 7 In of MODEL 25 1 HA THR 6 HA THR 6 8.455 2.709 -3.524 2 HB THR 6 HB THR 6 10.655 2.086 -2.367 3 HG1 THR 6 HG1 THR 6 11.175 3.768 -1.131 4 HG22 THR 6 HG21 THR 6 12.078 3.075 -4.162 5 HG21 THR 6 HG22 THR 6 10.653 3.951 -4.721 6 HG23 THR 6 HG23 THR 6 10.667 2.187 -4.735 7 H THR 6 HN THR 6 8.949 5.372 -2.360 No H/Q in entry = 7 In of MODEL 25 1 HA3 GLY 7 HA2 GLY 7 7.961 1.022 0.567 2 H GLY 7 HN GLY 7 7.624 1.182 -2.207 3 HA2 GLY 7 HA1 GLY 7 6.482 1.920 0.262 No H/Q in entry = 3 In of MODEL 25 1 HA PRO 8 HA PRO 8 5.537 -2.676 0.537 2 HB2 PRO 8 HB2 PRO 8 3.127 -1.489 1.803 3 HG2 PRO 8 HG2 PRO 8 4.261 -0.544 3.599 4 HD2 PRO 8 HD2 PRO 8 4.809 0.936 1.907 5 HB3 PRO 8 HB1 PRO 8 4.101 -2.872 2.312 6 HG3 PRO 8 HG1 PRO 8 5.704 -1.539 3.327 7 HD3 PRO 8 HD1 PRO 8 6.447 0.430 2.369 No H/Q in entry = 7 In of MODEL 25 1 HA CYS 9 HA CYS 9 1.968 -1.459 -2.140 2 HB2 CYS 9 HB2 CYS 9 1.528 0.836 -0.766 3 H CYS 9 HN CYS 9 3.786 0.167 -0.532 4 HB3 CYS 9 HB1 CYS 9 1.869 1.487 -2.365 No H/Q in entry = 4 In of MODEL 25 1 HA CYS 10 HA CYS 10 4.236 1.129 -5.413 2 HB2 CYS 10 HB2 CYS 10 6.591 2.037 -3.761 3 H CYS 10 HN CYS 10 4.319 1.165 -2.585 4 HB3 CYS 10 HB1 CYS 10 6.084 2.621 -5.342 No H/Q in entry = 4 In of MODEL 25 1 HA ARG 11 HA ARG 11 6.957 -2.178 -6.084 2 HB2 ARG 11 HB2 ARG 11 5.726 -1.995 -8.204 3 HG2 ARG 11 HG2 ARG 11 7.854 -3.512 -7.892 4 HD2 ARG 11 HD2 ARG 11 8.761 -1.303 -9.609 5 HE ARG 11 HE ARG 11 10.047 -3.664 -10.490 6 HH11 ARG 11 HH11 ARG 11 7.156 -1.772 -10.982 7 HH12 ARG 11 HH12 ARG 11 6.938 -2.301 -12.616 8 HH21 ARG 11 HH21 ARG 11 9.761 -4.360 -12.640 9 HH22 ARG 11 HH22 ARG 11 8.416 -3.770 -13.558 10 H ARG 11 HN ARG 11 5.869 0.392 -6.885 11 HB3 ARG 11 HB1 ARG 11 6.911 -0.840 -8.795 12 HG3 ARG 11 HG1 ARG 11 7.031 -3.378 -9.447 13 HD3 ARG 11 HD1 ARG 11 9.690 -2.426 -8.617 No H/Q in entry = 13 In of MODEL 25 1 HA GLN 12 HA GLN 12 10.926 -0.105 -6.779 2 HB2 GLN 12 HB2 GLN 12 11.058 -1.052 -9.036 3 HG2 GLN 12 HG2 GLN 12 12.558 1.554 -8.934 4 HE21 GLN 12 HE21 GLN 12 13.645 -1.724 -9.481 5 HE22 GLN 12 HE22 GLN 12 14.169 -1.484 -11.109 6 H GLN 12 HN GLN 12 8.422 0.161 -8.305 7 HB3 GLN 12 HB1 GLN 12 10.536 0.480 -9.720 8 HG3 GLN 12 HG1 GLN 12 13.073 0.057 -8.157 No H/Q in entry = 8 In of MODEL 25 1 HA CYS 13 HA CYS 13 9.321 4.247 -6.590 2 HB2 CYS 13 HB2 CYS 13 11.380 4.246 -8.024 3 H CYS 13 HN CYS 13 8.633 2.079 -8.201 4 HB3 CYS 13 HB1 CYS 13 10.353 4.574 -9.414 No H/Q in entry = 4 In of MODEL 25 1 HA LYS 14 HA LYS 14 5.604 5.210 -8.729 2 HB2 LYS 14 HB2 LYS 14 6.181 3.137 -10.296 3 HG2 LYS 14 HG2 LYS 14 4.783 5.172 -10.862 4 HD2 LYS 14 HD2 LYS 14 2.676 3.313 -9.833 5 HE2 LYS 14 HE2 LYS 14 1.020 4.774 -11.022 6 HZ3 LYS 14 HZ1 LYS 14 2.616 3.432 -13.083 7 HZ2 LYS 14 HZ2 LYS 14 0.944 3.408 -12.832 8 HZ1 LYS 14 HZ3 LYS 14 1.961 2.498 -11.833 9 H LYS 14 HN LYS 14 6.996 2.929 -7.521 10 HB3 LYS 14 HB1 LYS 14 4.738 2.477 -9.538 11 HG3 LYS 14 HG1 LYS 14 4.408 3.681 -11.729 12 HD3 LYS 14 HD1 LYS 14 2.870 5.044 -9.551 13 HE3 LYS 14 HE1 LYS 14 2.361 5.402 -11.979 No H/Q in entry = 13 In of MODEL 25 1 HA LEU 15 HA LEU 15 2.949 4.186 -5.431 2 HB2 LEU 15 HB2 LEU 15 2.882 6.859 -6.096 3 HG LEU 15 HG LEU 15 2.933 6.048 -3.782 4 HD12 LEU 15 HD11 LEU 15 0.521 7.714 -3.682 5 HD11 LEU 15 HD12 LEU 15 1.824 8.354 -4.684 6 HD13 LEU 15 HD13 LEU 15 2.120 7.981 -2.986 7 HD22 LEU 15 HD21 LEU 15 1.305 4.843 -2.808 8 HD21 LEU 15 HD22 LEU 15 0.840 4.469 -4.467 9 HD23 LEU 15 HD23 LEU 15 0.016 5.758 -3.589 10 H LEU 15 HN LEU 15 3.740 5.715 -7.749 11 HB3 LEU 15 HB1 LEU 15 1.199 6.388 -6.231 No H/Q in entry = 11 In of MODEL 25 1 HA LYS 16 HA LYS 16 0.124 1.788 -7.780 2 HB2 LYS 16 HB2 LYS 16 -0.327 1.087 -4.875 3 HG2 LYS 16 HG2 LYS 16 1.865 0.390 -5.751 4 HD2 LYS 16 HD2 LYS 16 1.408 -1.711 -7.398 5 HE2 LYS 16 HE2 LYS 16 1.725 0.968 -8.661 6 HZ1 LYS 16 HZ1 LYS 16 2.065 -1.203 -9.841 7 HZ3 LYS 16 HZ2 LYS 16 3.422 -1.451 -8.863 8 HZ2 LYS 16 HZ3 LYS 16 3.370 -0.128 -9.915 9 H LYS 16 HN LYS 16 1.570 2.554 -5.518 10 HB3 LYS 16 HB1 LYS 16 -1.106 0.273 -6.225 11 HG3 LYS 16 HG1 LYS 16 0.817 -0.973 -5.354 12 HD3 LYS 16 HD1 LYS 16 0.177 -0.576 -7.957 13 HE3 LYS 16 HE1 LYS 16 2.951 0.415 -7.521 No H/Q in entry = 13 In of MODEL 25 1 HA PRO 17 HA PRO 17 -3.528 4.252 -7.775 2 HB2 PRO 17 HB2 PRO 17 -5.408 2.477 -8.620 3 HG2 PRO 17 HG2 PRO 17 -4.224 0.502 -8.324 4 HD2 PRO 17 HD2 PRO 17 -1.936 0.484 -8.029 5 HB3 PRO 17 HB1 PRO 17 -4.181 3.166 -9.690 6 HG3 PRO 17 HG1 PRO 17 -3.752 0.900 -9.987 7 HD3 PRO 17 HD1 PRO 17 -1.659 1.636 -9.351 No H/Q in entry = 7 In of MODEL 25 1 HA ALA 18 HA ALA 18 -5.412 3.752 -3.906 2 HB3 ALA 18 HB1 ALA 18 -7.348 5.498 -5.420 3 HB1 ALA 18 HB2 ALA 18 -6.062 6.023 -4.333 4 HB2 ALA 18 HB3 ALA 18 -7.455 5.151 -3.694 5 H ALA 18 HN ALA 18 -5.213 4.830 -6.472 No H/Q in entry = 5 In of MODEL 25 1 HA3 GLY 19 HA2 GLY 19 -8.803 1.035 -2.831 2 H GLY 19 HN GLY 19 -6.789 2.330 -2.925 3 HA2 GLY 19 HA1 GLY 19 -8.853 1.052 -4.588 No H/Q in entry = 3 In of MODEL 25 1 HA THR 20 HA THR 20 -6.169 -2.381 -4.931 2 HB THR 20 HB THR 20 -3.624 -0.756 -4.784 3 HG1 THR 20 HG1 THR 20 -4.724 0.143 -6.422 4 HG22 THR 20 HG21 THR 20 -4.151 -3.313 -6.272 5 HG21 THR 20 HG22 THR 20 -3.346 -3.222 -4.705 6 HG23 THR 20 HG23 THR 20 -2.619 -2.454 -6.116 7 H THR 20 HN THR 20 -5.955 0.421 -4.746 No H/Q in entry = 7 In of MODEL 25 1 HA THR 21 HA THR 21 -5.125 -3.527 -0.890 2 HB THR 21 HB THR 21 -4.509 -6.028 -0.846 3 HG1 THR 21 HG1 THR 21 -4.897 -7.113 -2.784 4 HG22 THR 21 HG21 THR 21 -6.917 -6.432 -2.102 5 HG21 THR 21 HG22 THR 21 -7.031 -4.770 -1.522 6 HG23 THR 21 HG23 THR 21 -6.679 -6.076 -0.391 7 H THR 21 HN THR 21 -5.145 -4.028 -3.727 No H/Q in entry = 7 In of MODEL 25 1 HA CYS 22 HA CYS 22 -0.820 -2.572 -1.048 2 HB2 CYS 22 HB2 CYS 22 -1.806 -1.072 0.759 3 H CYS 22 HN CYS 22 -3.399 -2.652 0.040 4 HB3 CYS 22 HB1 CYS 22 -1.441 -2.364 1.898 No H/Q in entry = 4 In of MODEL 25 1 HA TRP 23 HA TRP 23 -0.415 -6.878 0.494 2 HB2 TRP 23 HB2 TRP 23 0.595 -5.346 2.343 3 HD1 TRP 23 HD1 TRP 23 2.242 -7.184 0.897 4 HE1 TRP 23 HE1 TRP 23 3.434 -9.257 1.850 5 HE3 TRP 23 HE3 TRP 23 -0.581 -7.885 5.102 6 HZ2 TRP 23 HZ2 TRP 23 3.208 -10.962 4.088 7 HZ3 TRP 23 HZ3 TRP 23 -0.028 -9.760 6.596 8 HH2 TRP 23 HH2 TRP 23 1.828 -11.266 6.097 9 H TRP 23 HN TRP 23 -2.383 -4.898 1.039 10 HB3 TRP 23 HB1 TRP 23 -0.546 -6.161 3.407 No H/Q in entry = 10 In of MODEL 25 1 HA ARG 24 HA ARG 24 -4.128 -8.763 2.016 2 HB2 ARG 24 HB2 ARG 24 -5.257 -7.588 0.178 3 HG2 ARG 24 HG2 ARG 24 -5.851 -10.496 0.525 4 HD2 ARG 24 HD2 ARG 24 -6.440 -9.610 -1.827 5 HE ARG 24 HE ARG 24 -7.900 -7.728 -0.330 6 HH11 ARG 24 HH11 ARG 24 -8.259 -9.849 -3.078 7 HH12 ARG 24 HH12 ARG 24 -9.442 -8.851 -3.853 8 HH21 ARG 24 HH21 ARG 24 -9.456 -6.412 -1.348 9 HH22 ARG 24 HH22 ARG 24 -10.121 -6.899 -2.871 10 H ARG 24 HN ARG 24 -2.372 -7.890 -0.176 11 HB3 ARG 24 HB1 ARG 24 -4.627 -8.765 -0.966 12 HG3 ARG 24 HG1 ARG 24 -6.750 -9.093 1.107 13 HD3 ARG 24 HD1 ARG 24 -7.683 -10.441 -0.892 No H/Q in entry = 13 In of MODEL 25 1 HA THR 25 HA THR 25 -2.362 -12.674 1.045 2 HB THR 25 HB THR 25 -2.122 -13.891 3.344 3 HG1 THR 25 HG1 THR 25 -3.405 -12.567 4.584 4 HG21 THR 25 HG21 THR 25 -0.235 -12.903 2.105 5 HG23 THR 25 HG22 THR 25 -0.071 -12.758 3.855 6 HG22 THR 25 HG23 THR 25 -0.560 -11.361 2.896 7 H THR 25 HN THR 25 -3.605 -10.689 2.802 No H/Q in entry = 7 In of MODEL 25 1 HA SER 26 HA SER 26 -6.820 -13.894 1.645 2 HB2 SER 26 HB2 SER 26 -5.337 -15.125 3.904 3 HG SER 26 HG SER 26 -6.688 -16.585 1.968 4 H SER 26 HN SER 26 -5.170 -12.161 3.090 5 HB3 SER 26 HB1 SER 26 -7.051 -15.516 3.774 No H/Q in entry = 5 In of MODEL 25 1 HA VAL 27 HA VAL 27 -8.974 -11.781 5.033 2 HB VAL 27 HB VAL 27 -7.116 -12.255 7.362 3 H VAL 27 HN VAL 27 -6.127 -12.505 4.805 No H/Q in entry = 3 In of MODEL 25 1 HA SER 28 HA SER 28 -6.351 -8.213 6.643 2 HB2 SER 28 HB2 SER 28 -4.299 -9.328 7.422 3 HG SER 28 HG SER 28 -3.463 -7.140 5.857 4 H SER 28 HN SER 28 -5.650 -10.842 5.754 5 HB3 SER 28 HB1 SER 28 -3.668 -9.318 5.776 No H/Q in entry = 5 In of MODEL 25 1 HA SER 29 HA SER 29 -6.293 -7.084 2.299 2 HB2 SER 29 HB2 SER 29 -8.758 -6.221 1.756 3 HG SER 29 HG SER 29 -9.347 -6.709 4.027 4 H SER 29 HN SER 29 -7.713 -7.673 4.777 5 HB3 SER 29 HB1 SER 29 -8.338 -7.933 1.684 No H/Q in entry = 5 In of MODEL 25 1 HA HIS 30 HA HIS 30 -6.072 -2.984 4.001 2 HB2 HIS 30 HB2 HIS 30 -3.414 -3.610 2.719 3 HD1 HIS 30 HD1 HIS 30 -2.410 -1.922 5.446 4 HD2 HIS 30 HD2 HIS 30 -4.471 -5.515 5.120 5 HE1 HIS 30 HE1 HIS 30 -1.989 -3.137 7.607 6 HE2 HIS 30 HE2 HIS 30 -3.175 -5.345 7.351 7 H HIS 30 HN HIS 30 -5.026 -5.318 2.647 8 HB3 HIS 30 HB1 HIS 30 -3.796 -2.025 3.382 No H/Q in entry = 8 In of MODEL 25 1 HA TYR 31 HA TYR 31 -6.063 -0.930 -0.036 2 HB2 TYR 31 HB2 TYR 31 -7.494 0.629 2.107 3 HD1 TYR 31 HD1 TYR 31 -7.808 -1.389 -1.018 4 HD2 TYR 31 HD2 TYR 31 -9.574 -0.215 2.670 5 HE1 TYR 31 HE1 TYR 31 -9.654 -2.967 -1.406 6 HE2 TYR 31 HE2 TYR 31 -11.424 -1.790 2.293 7 HH TYR 31 HH TYR 31 -12.216 -3.054 -0.534 8 H TYR 31 HN TYR 31 -5.275 -0.822 2.774 9 HB3 TYR 31 HB1 TYR 31 -7.555 1.114 0.416 No H/Q in entry = 9 In of MODEL 25 1 HA CYS 32 HA CYS 32 -2.703 1.853 -0.065 2 HB2 CYS 32 HB2 CYS 32 -2.967 0.627 -2.447 3 H CYS 32 HN CYS 32 -4.764 0.293 -1.234 4 HB3 CYS 32 HB1 CYS 32 -3.369 2.273 -2.926 No H/Q in entry = 4 In of MODEL 25 1 HA THR 33 HA THR 33 -4.706 5.677 0.151 2 HB THR 33 HB THR 33 -2.847 7.550 0.215 3 HG1 THR 33 HG1 THR 33 -1.018 6.646 -0.344 4 HG21 THR 33 HG21 THR 33 -4.085 6.144 2.156 5 HG23 THR 33 HG22 THR 33 -2.897 7.415 2.446 6 HG22 THR 33 HG23 THR 33 -2.400 5.723 2.461 7 H THR 33 HN THR 33 -2.340 4.098 -0.200 No H/Q in entry = 7 In of MODEL 25 1 HA3 GLY 34 HA2 GLY 34 -2.419 6.216 -4.466 2 H GLY 34 HN GLY 34 -1.918 6.066 -2.050 3 HA2 GLY 34 HA1 GLY 34 -3.798 7.210 -4.024 No H/Q in entry = 3 In of MODEL 25 1 HA ARG 35 HA ARG 35 -0.834 10.459 -3.769 2 HB2 ARG 35 HB2 ARG 35 -2.721 11.005 -1.931 3 HG2 ARG 35 HG2 ARG 35 -0.601 13.061 -2.043 4 HD2 ARG 35 HD2 ARG 35 -3.539 12.863 -2.112 5 HE ARG 35 HE ARG 35 -2.775 15.357 -3.226 6 HH11 ARG 35 HH11 ARG 35 -3.448 12.041 -4.083 7 HH12 ARG 35 HH12 ARG 35 -3.935 12.427 -5.699 8 HH21 ARG 35 HH21 ARG 35 -3.416 15.866 -5.351 9 HH22 ARG 35 HH22 ARG 35 -3.917 14.598 -6.420 10 H ARG 35 HN ARG 35 -2.186 8.605 -1.942 11 HB3 ARG 35 HB1 ARG 35 -1.287 11.204 -0.934 12 HG3 ARG 35 HG1 ARG 35 -1.299 12.539 -3.577 13 HD3 ARG 35 HD1 ARG 35 -2.501 14.076 -1.365 No H/Q in entry = 13 In of MODEL 25 1 HA SER 36 HA SER 36 2.544 9.081 -1.092 2 HB2 SER 36 HB2 SER 36 2.520 8.482 1.423 3 HG SER 36 HG SER 36 0.628 8.529 2.435 4 H SER 36 HN SER 36 -0.328 8.440 -0.964 5 HB3 SER 36 HB1 SER 36 1.900 10.062 0.945 No H/Q in entry = 5 In of MODEL 25 1 HA CYS 37 HA CYS 37 2.841 4.711 -0.888 2 HB2 CYS 37 HB2 CYS 37 5.053 5.776 -1.734 3 H CYS 37 HN CYS 37 3.843 7.297 0.087 4 HB3 CYS 37 HB1 CYS 37 5.709 5.257 -0.186 No H/Q in entry = 4 In of MODEL 25 1 HA GLU 38 HA GLU 38 3.752 4.307 3.645 2 HB2 GLU 38 HB2 GLU 38 2.079 6.765 3.908 3 HG2 GLU 38 HG2 GLU 38 4.750 5.848 4.846 4 H GLU 38 HN GLU 38 2.436 6.124 1.803 5 HB3 GLU 38 HB1 GLU 38 2.169 5.664 5.276 6 HG3 GLU 38 HG1 GLU 38 4.287 7.356 4.057 No H/Q in entry = 6 In of MODEL 25 1 HA CYS 39 HA CYS 39 -0.031 2.129 4.229 2 HB2 CYS 39 HB2 CYS 39 2.212 0.405 3.325 3 H CYS 39 HN CYS 39 2.868 2.540 4.523 4 HB3 CYS 39 HB1 CYS 39 0.832 -0.409 4.055 No H/Q in entry = 4 In of MODEL 25 1 HA PRO 40 HA PRO 40 1.076 1.575 8.659 2 HB2 PRO 40 HB2 PRO 40 -1.319 2.445 9.602 3 HG2 PRO 40 HG2 PRO 40 -2.419 2.786 7.585 4 HD2 PRO 40 HD2 PRO 40 -1.284 2.904 5.582 5 HB3 PRO 40 HB1 PRO 40 0.002 3.539 9.178 6 HG3 PRO 40 HG1 PRO 40 -1.680 4.383 7.811 7 HD3 PRO 40 HD1 PRO 40 -0.039 3.985 6.240 No H/Q in entry = 7 In of MODEL 25 1 HA SER 41 HA SER 41 -1.388 -1.974 9.242 2 HB2 SER 41 HB2 SER 41 -1.021 -1.617 12.192 3 HG SER 41 HG SER 41 1.037 -1.335 11.982 4 H SER 41 HN SER 41 -0.310 0.468 10.424 5 HB3 SER 41 HB1 SER 41 -0.827 -3.067 11.207 No H/Q in entry = 5 In of MODEL 25 1 HA TYR 42 HA TYR 42 -5.227 -0.426 10.858 2 HB2 TYR 42 HB2 TYR 42 -4.301 2.128 9.650 3 HD1 TYR 42 HD1 TYR 42 -3.205 3.228 11.344 4 HD2 TYR 42 HD2 TYR 42 -6.609 0.868 12.315 5 HE1 TYR 42 HE1 TYR 42 -2.972 3.875 13.705 6 HE2 TYR 42 HE2 TYR 42 -6.386 1.508 14.679 7 HH TYR 42 HH TYR 42 -5.385 3.397 15.989 8 H TYR 42 HN TYR 42 -3.088 0.141 8.910 9 HB3 TYR 42 HB1 TYR 42 -6.036 1.930 9.870 No H/Q in entry = 9 In of MODEL 25 1 HA PRO 43 HA PRO 43 -6.659 -1.916 6.717 2 HB2 PRO 43 HB2 PRO 43 -7.966 -4.091 7.680 3 HG2 PRO 43 HG2 PRO 43 -7.606 -3.778 9.952 4 HD2 PRO 43 HD2 PRO 43 -5.999 -2.326 10.742 5 HB3 PRO 43 HB1 PRO 43 -6.239 -4.097 7.308 6 HG3 PRO 43 HG1 PRO 43 -6.178 -4.746 9.541 7 HD3 PRO 43 HD1 PRO 43 -4.767 -2.924 9.613 No H/Q in entry = 7 In of MODEL 25 1 HA3 GLY 44 HA2 GLY 44 -10.044 1.065 6.743 2 H GLY 44 HN GLY 44 -8.003 0.017 6.776 3 HA2 GLY 44 HA1 GLY 44 -10.746 -0.546 6.767 No H/Q in entry = 3 In of MODEL 25 1 HA ASN 45 HA ASN 45 -9.043 1.120 11.511 2 HB2 ASN 45 HB2 ASN 45 -11.483 2.140 10.183 3 HD21 ASN 45 HD21 ASN 45 -8.949 3.003 9.882 4 HD22 ASN 45 HD22 ASN 45 -8.712 4.490 10.730 5 H ASN 45 HN ASN 45 -8.677 0.663 9.315 6 HB3 ASN 45 HB1 ASN 45 -11.616 1.860 11.917 No H/Q in entry = 6 In of MODEL 25 1 HA3 GLY 46 HA2 GLY 46 -13.132 -2.218 11.156 2 H GLY 46 HN GLY 46 -12.332 0.001 10.777 3 HA2 GLY 46 HA1 GLY 46 -11.769 -2.491 12.230 No H/Q in entry = 3 In of MODEL 26 1 H1 ALA 1 HT1 ALA 1 6.044 14.467 -3.678 2 H2 ALA 1 HT3 ALA 1 5.151 13.075 -4.127 3 H3 ALA 1 HT2 ALA 1 4.626 14.042 -2.810 4 HA ALA 1 HA ALA 1 6.320 13.378 -1.461 5 HB1 ALA 1 HB1 ALA 1 4.929 11.588 -1.328 6 HB3 ALA 1 HB2 ALA 1 6.352 10.771 -1.975 7 HB2 ALA 1 HB3 ALA 1 5.035 11.234 -3.053 No H/Q in entry = 7 In of MODEL 26 1 HA MET 2 HA MET 2 10.116 13.263 -3.669 2 HB2 MET 2 HB2 MET 2 10.290 14.869 -1.516 3 H MET 2 HN MET 2 8.443 13.632 -1.374 4 HG2 MET 2 HG2 MET 2 12.949 14.077 -2.490 5 HE2 MET 2 HE1 MET 2 10.716 17.408 -3.676 6 HB3 MET 2 HB1 MET 2 11.349 13.568 -0.991 7 HE1 MET 2 HE2 MET 2 11.880 16.490 -4.632 8 HE3 MET 2 HE3 MET 2 12.324 18.067 -3.979 9 HG3 MET 2 HG1 MET 2 11.789 14.557 -3.728 No H/Q in entry = 9 In of MODEL 26 1 HA ASP 3 HA ASP 3 13.527 10.211 -2.671 2 HB2 ASP 3 HB2 ASP 3 12.306 10.578 -0.324 3 H ASP 3 HN ASP 3 12.417 12.180 -2.917 4 HB3 ASP 3 HB1 ASP 3 11.476 9.106 -0.818 No H/Q in entry = 4 In of MODEL 26 1 HA CYS 4 HA CYS 4 11.774 7.279 -5.283 2 HB2 CYS 4 HB2 CYS 4 13.947 6.204 -4.920 3 H CYS 4 HN CYS 4 13.378 7.838 -3.028 4 HB3 CYS 4 HB1 CYS 4 13.314 5.382 -3.498 No H/Q in entry = 4 In of MODEL 26 1 HA THR 5 HA THR 5 9.631 5.882 -0.638 2 HB THR 5 HB THR 5 7.729 5.992 -2.915 3 HG1 THR 5 HG1 THR 5 8.627 7.815 -3.519 4 HG21 THR 5 HG21 THR 5 7.419 5.937 -0.217 5 HG23 THR 5 HG22 THR 5 6.214 6.517 -1.368 6 HG22 THR 5 HG23 THR 5 7.287 7.662 -0.562 7 H THR 5 HN THR 5 11.372 6.676 -1.866 No H/Q in entry = 7 In of MODEL 26 1 HA THR 6 HA THR 6 9.680 1.818 -2.552 2 HB THR 6 HB THR 6 11.633 1.055 -0.448 3 HG1 THR 6 HG1 THR 6 12.709 2.831 -0.975 4 HG23 THR 6 HG21 THR 6 12.017 -0.639 -1.808 5 HG22 THR 6 HG22 THR 6 12.418 0.459 -3.129 6 HG21 THR 6 HG23 THR 6 10.745 -0.034 -2.869 7 H THR 6 HN THR 6 10.803 3.817 -0.756 No H/Q in entry = 7 In of MODEL 26 1 HA3 GLY 7 HA2 GLY 7 8.178 -0.887 0.757 2 H GLY 7 HN GLY 7 8.652 -0.081 -1.846 3 HA2 GLY 7 HA1 GLY 7 6.913 0.274 0.382 No H/Q in entry = 3 In of MODEL 26 1 HA PRO 8 HA PRO 8 6.123 -4.273 -1.146 2 HB2 PRO 8 HB2 PRO 8 3.975 -4.004 0.898 3 HG2 PRO 8 HG2 PRO 8 5.431 -4.057 2.712 4 HD2 PRO 8 HD2 PRO 8 5.769 -1.897 1.969 5 HB3 PRO 8 HB1 PRO 8 4.954 -5.413 0.472 6 HG3 PRO 8 HG1 PRO 8 6.764 -4.703 1.737 7 HD3 PRO 8 HD1 PRO 8 7.431 -2.495 1.786 No H/Q in entry = 7 In of MODEL 26 1 HA CYS 9 HA CYS 9 1.989 -2.082 -1.977 2 HB2 CYS 9 HB2 CYS 9 1.947 -0.428 -0.111 3 H CYS 9 HN CYS 9 4.260 -1.405 -0.391 4 HB3 CYS 9 HB1 CYS 9 2.915 0.660 -1.099 No H/Q in entry = 4 In of MODEL 26 1 HA CYS 10 HA CYS 10 3.886 0.964 -5.121 2 HB2 CYS 10 HB2 CYS 10 6.682 1.050 -3.986 3 H CYS 10 HN CYS 10 4.557 0.344 -2.480 4 HB3 CYS 10 HB1 CYS 10 6.012 2.051 -5.270 No H/Q in entry = 4 In of MODEL 26 1 HA ARG 11 HA ARG 11 5.743 -2.421 -7.145 2 HB2 ARG 11 HB2 ARG 11 3.834 -1.815 -8.563 3 HG2 ARG 11 HG2 ARG 11 5.939 -2.193 -10.608 4 HD2 ARG 11 HD2 ARG 11 3.234 -3.244 -9.954 5 HE ARG 11 HE ARG 11 3.970 -5.340 -10.510 6 HH11 ARG 11 HH11 ARG 11 5.452 -3.011 -12.645 7 HH12 ARG 11 HH12 ARG 11 6.128 -4.213 -13.691 8 HH21 ARG 11 HH21 ARG 11 4.859 -6.923 -11.886 9 HH22 ARG 11 HH22 ARG 11 5.791 -6.434 -13.261 10 H ARG 11 HN ARG 11 4.884 0.378 -7.110 11 HB3 ARG 11 HB1 ARG 11 4.824 -0.625 -9.398 12 HG3 ARG 11 HG1 ARG 11 5.794 -3.425 -9.353 13 HD3 ARG 11 HD1 ARG 11 3.868 -2.638 -11.483 No H/Q in entry = 13 In of MODEL 26 1 HA GLN 12 HA GLN 12 9.371 -0.340 -8.935 2 HB2 GLN 12 HB2 GLN 12 7.774 0.424 -11.357 3 HG2 GLN 12 HG2 GLN 12 8.338 -1.978 -10.796 4 HE21 GLN 12 HE21 GLN 12 10.224 -3.263 -12.355 5 HE22 GLN 12 HE22 GLN 12 11.777 -3.097 -11.615 6 H GLN 12 HN GLN 12 6.527 0.391 -9.190 7 HB3 GLN 12 HB1 GLN 12 9.502 0.742 -11.303 8 HG3 GLN 12 HG1 GLN 12 8.779 -1.408 -12.406 No H/Q in entry = 8 In of MODEL 26 1 HA CYS 13 HA CYS 13 9.604 3.269 -6.193 2 HB2 CYS 13 HB2 CYS 13 11.473 3.062 -7.944 3 H CYS 13 HN CYS 13 9.153 1.238 -7.111 4 HB3 CYS 13 HB1 CYS 13 10.523 4.183 -8.912 No H/Q in entry = 4 In of MODEL 26 1 HA LYS 14 HA LYS 14 6.173 5.574 -7.745 2 HB2 LYS 14 HB2 LYS 14 6.186 3.879 -9.835 3 HG2 LYS 14 HG2 LYS 14 3.733 5.510 -9.753 4 HD2 LYS 14 HD2 LYS 14 5.285 6.463 -11.747 5 HE2 LYS 14 HE2 LYS 14 3.778 3.874 -12.014 6 HZ1 LYS 14 HZ1 LYS 14 4.995 5.151 -13.929 7 HZ3 LYS 14 HZ2 LYS 14 3.606 6.115 -13.890 8 HZ2 LYS 14 HZ3 LYS 14 3.473 4.454 -14.180 9 H LYS 14 HN LYS 14 6.991 2.776 -7.376 10 HB3 LYS 14 HB1 LYS 14 4.600 3.505 -9.175 11 HG3 LYS 14 HG1 LYS 14 5.254 6.367 -9.494 12 HD3 LYS 14 HD1 LYS 14 5.914 4.821 -11.609 13 HE3 LYS 14 HE1 LYS 14 2.976 5.433 -11.822 No H/Q in entry = 13 In of MODEL 26 1 HA LEU 15 HA LEU 15 3.530 4.413 -4.485 2 HB2 LEU 15 HB2 LEU 15 3.120 7.279 -5.194 3 HG LEU 15 HG LEU 15 4.872 6.403 -3.508 4 HD11 LEU 15 HD11 LEU 15 2.954 8.656 -3.132 5 HD13 LEU 15 HD12 LEU 15 4.662 8.693 -3.569 6 HD12 LEU 15 HD13 LEU 15 4.184 8.343 -1.908 7 HD21 LEU 15 HD21 LEU 15 2.328 6.118 -1.923 8 HD23 LEU 15 HD22 LEU 15 3.930 6.234 -1.195 9 HD22 LEU 15 HD23 LEU 15 3.538 4.879 -2.253 10 H LEU 15 HN LEU 15 4.567 6.192 -6.444 11 HB3 LEU 15 HB1 LEU 15 1.941 6.505 -4.153 No H/Q in entry = 11 In of MODEL 26 1 HA LYS 16 HA LYS 16 0.174 2.967 -6.855 2 HB2 LYS 16 HB2 LYS 16 -0.162 1.776 -4.098 3 HG2 LYS 16 HG2 LYS 16 1.788 1.120 -5.739 4 HD2 LYS 16 HD2 LYS 16 -0.051 -0.989 -6.641 5 HE2 LYS 16 HE2 LYS 16 1.882 0.593 -8.293 6 HZ1 LYS 16 HZ1 LYS 16 0.371 -1.288 -9.137 7 HZ3 LYS 16 HZ2 LYS 16 1.449 -2.321 -8.343 8 HZ2 LYS 16 HZ3 LYS 16 2.006 -1.306 -9.575 9 H LYS 16 HN LYS 16 1.728 3.224 -4.475 10 HB3 LYS 16 HB1 LYS 16 -1.165 1.352 -5.479 11 HG3 LYS 16 HG1 LYS 16 0.914 -0.097 -4.808 12 HD3 LYS 16 HD1 LYS 16 -0.275 0.582 -7.412 13 HE3 LYS 16 HE1 LYS 16 2.453 -0.628 -7.156 No H/Q in entry = 13 In of MODEL 26 1 HA PRO 17 HA PRO 17 -3.079 5.888 -6.351 2 HB2 PRO 17 HB2 PRO 17 -4.935 3.614 -6.873 3 HG2 PRO 17 HG2 PRO 17 -3.902 2.997 -8.866 4 HD2 PRO 17 HD2 PRO 17 -2.393 2.143 -7.344 5 HB3 PRO 17 HB1 PRO 17 -4.829 5.187 -7.672 6 HG3 PRO 17 HG1 PRO 17 -3.040 4.541 -9.000 7 HD3 PRO 17 HD1 PRO 17 -1.302 3.273 -8.172 No H/Q in entry = 7 In of MODEL 26 1 HA ALA 18 HA ALA 18 -4.272 5.319 -2.203 2 HB3 ALA 18 HB1 ALA 18 -6.098 7.581 -2.987 3 HB1 ALA 18 HB2 ALA 18 -4.397 7.800 -2.577 4 HB2 ALA 18 HB3 ALA 18 -5.519 7.165 -1.374 5 H ALA 18 HN ALA 18 -4.223 6.650 -4.665 No H/Q in entry = 5 In of MODEL 26 1 HA3 GLY 19 HA2 GLY 19 -7.679 2.744 -1.614 2 H GLY 19 HN GLY 19 -5.221 3.285 -2.424 3 HA2 GLY 19 HA1 GLY 19 -8.006 3.141 -3.294 No H/Q in entry = 3 In of MODEL 26 1 HA THR 20 HA THR 20 -6.271 -0.578 -4.811 2 HB THR 20 HB THR 20 -3.400 0.360 -4.731 3 HG1 THR 20 HG1 THR 20 -5.392 0.767 -6.705 4 HG22 THR 20 HG21 THR 20 -3.223 -1.058 -6.780 5 HG21 THR 20 HG22 THR 20 -4.815 -1.708 -6.386 6 HG23 THR 20 HG23 THR 20 -3.467 -1.944 -5.274 7 H THR 20 HN THR 20 -5.398 1.997 -4.143 No H/Q in entry = 7 In of MODEL 26 1 HA THR 21 HA THR 21 -4.693 -2.765 -1.378 2 HB THR 21 HB THR 21 -4.970 -5.297 -1.871 3 HG1 THR 21 HG1 THR 21 -4.880 -5.300 -4.077 4 HG21 THR 21 HG21 THR 21 -7.330 -3.472 -2.259 5 HG23 THR 21 HG22 THR 21 -6.684 -4.017 -0.711 6 HG22 THR 21 HG23 THR 21 -7.394 -5.181 -1.829 7 H THR 21 HN THR 21 -5.140 -2.628 -4.273 No H/Q in entry = 7 In of MODEL 26 1 HA CYS 22 HA CYS 22 -0.652 -4.130 -2.391 2 HB2 CYS 22 HB2 CYS 22 0.890 -3.336 -0.678 3 H CYS 22 HN CYS 22 -2.829 -3.519 -0.507 4 HB3 CYS 22 HB1 CYS 22 -0.317 -2.103 -1.023 No H/Q in entry = 4 In of MODEL 26 1 HA TRP 23 HA TRP 23 -0.485 -7.501 0.738 2 HB2 TRP 23 HB2 TRP 23 -1.132 -5.883 2.761 3 HD1 TRP 23 HD1 TRP 23 1.041 -8.141 1.996 4 HE1 TRP 23 HE1 TRP 23 1.790 -9.793 3.822 5 HE3 TRP 23 HE3 TRP 23 -2.931 -7.687 5.183 6 HZ2 TRP 23 HZ2 TRP 23 0.826 -10.774 6.287 7 HZ3 TRP 23 HZ3 TRP 23 -2.941 -9.018 7.253 8 HH2 TRP 23 HH2 TRP 23 -1.101 -10.529 7.791 9 H TRP 23 HN TRP 23 -2.139 -5.088 0.667 10 HB3 TRP 23 HB1 TRP 23 -2.528 -6.954 2.835 No H/Q in entry = 10 In of MODEL 26 1 HA ARG 24 HA ARG 24 -4.128 -9.862 -0.004 2 HB2 ARG 24 HB2 ARG 24 -3.104 -9.262 -2.261 3 HG2 ARG 24 HG2 ARG 24 -4.134 -12.018 -2.549 4 HD2 ARG 24 HD2 ARG 24 -4.716 -9.320 -3.740 5 HE ARG 24 HE ARG 24 -6.118 -11.457 -4.972 6 HH11 ARG 24 HH11 ARG 24 -6.281 -9.232 -2.288 7 HH12 ARG 24 HH12 ARG 24 -8.010 -9.264 -2.205 8 HH21 ARG 24 HH21 ARG 24 -8.393 -11.500 -4.864 9 HH22 ARG 24 HH22 ARG 24 -9.209 -10.551 -3.667 10 H ARG 24 HN ARG 24 -1.228 -9.431 0.137 11 HB3 ARG 24 HB1 ARG 24 -2.257 -10.800 -2.173 12 HG3 ARG 24 HG1 ARG 24 -5.189 -10.842 -1.762 13 HD3 ARG 24 HD1 ARG 24 -4.008 -10.731 -4.526 No H/Q in entry = 13 In of MODEL 26 1 HA THR 25 HA THR 25 -3.341 -14.066 0.939 2 HB THR 25 HB THR 25 -2.762 -14.026 3.540 3 HG1 THR 25 HG1 THR 25 -3.371 -11.741 3.606 4 HG22 THR 25 HG21 THR 25 -0.696 -12.706 1.874 5 HG21 THR 25 HG22 THR 25 -1.242 -14.319 1.414 6 HG23 THR 25 HG23 THR 25 -0.553 -14.043 3.014 7 H THR 25 HN THR 25 -4.603 -11.537 1.240 No H/Q in entry = 7 In of MODEL 26 1 HA SER 26 HA SER 26 -6.965 -15.069 3.162 2 HB2 SER 26 HB2 SER 26 -6.280 -17.229 2.264 3 HG SER 26 HG SER 26 -7.239 -18.580 3.975 4 H SER 26 HN SER 26 -4.074 -15.501 2.982 5 HB3 SER 26 HB1 SER 26 -5.297 -17.539 3.695 No H/Q in entry = 5 In of MODEL 26 1 HA VAL 27 HA VAL 27 -5.757 -14.636 7.478 2 HB VAL 27 HB VAL 27 -3.344 -14.371 7.076 3 H VAL 27 HN VAL 27 -5.091 -13.576 4.812 No H/Q in entry = 3 In of MODEL 26 1 HA SER 28 HA SER 28 -8.189 -10.777 6.622 2 HB2 SER 28 HB2 SER 28 -6.588 -10.212 8.423 3 HG SER 28 HG SER 28 -7.532 -8.343 8.696 4 H SER 28 HN SER 28 -5.916 -11.843 5.370 5 HB3 SER 28 HB1 SER 28 -5.632 -9.288 7.266 No H/Q in entry = 5 In of MODEL 26 1 HA SER 29 HA SER 29 -7.125 -7.943 3.262 2 HB2 SER 29 HB2 SER 29 -9.548 -8.619 3.295 3 HG SER 29 HG SER 29 -8.530 -7.218 1.635 4 H SER 29 HN SER 29 -8.070 -8.132 6.032 5 HB3 SER 29 HB1 SER 29 -9.903 -7.094 4.106 No H/Q in entry = 5 In of MODEL 26 1 HA HIS 30 HA HIS 30 -6.701 -3.762 4.565 2 HB2 HIS 30 HB2 HIS 30 -4.043 -5.034 4.023 3 HD1 HIS 30 HD1 HIS 30 -2.618 -5.064 6.269 4 HD2 HIS 30 HD2 HIS 30 -6.617 -4.019 6.686 5 HE1 HIS 30 HE1 HIS 30 -3.120 -5.294 8.722 6 HE2 HIS 30 HE2 HIS 30 -5.568 -4.738 8.938 7 H HIS 30 HN HIS 30 -6.088 -6.098 2.886 8 HB3 HIS 30 HB1 HIS 30 -4.134 -3.295 4.284 No H/Q in entry = 8 In of MODEL 26 1 HA TYR 31 HA TYR 31 -5.431 -1.823 0.679 2 HB2 TYR 31 HB2 TYR 31 -7.314 0.027 2.160 3 HD1 TYR 31 HD1 TYR 31 -8.928 -1.380 3.126 4 HD2 TYR 31 HD2 TYR 31 -7.684 -2.063 -0.885 5 HE1 TYR 31 HE1 TYR 31 -10.738 -3.021 2.850 6 HE2 TYR 31 HE2 TYR 31 -9.491 -3.706 -1.172 7 HH TYR 31 HH TYR 31 -10.860 -5.244 0.470 8 H TYR 31 HN TYR 31 -5.548 -1.750 3.589 9 HB3 TYR 31 HB1 TYR 31 -7.029 0.014 0.422 No H/Q in entry = 9 In of MODEL 26 1 HA CYS 32 HA CYS 32 -2.236 0.969 1.552 2 HB2 CYS 32 HB2 CYS 32 -2.105 0.152 -1.012 3 H CYS 32 HN CYS 32 -4.070 -0.326 -0.179 4 HB3 CYS 32 HB1 CYS 32 -2.406 1.868 -1.269 No H/Q in entry = 4 In of MODEL 26 1 HA THR 33 HA THR 33 -4.497 4.595 2.346 2 HB THR 33 HB THR 33 -3.176 6.214 3.556 3 HG1 THR 33 HG1 THR 33 -1.048 6.318 3.434 4 HG23 THR 33 HG21 THR 33 -3.186 4.909 5.332 5 HG22 THR 33 HG22 THR 33 -1.683 4.162 4.791 6 HG21 THR 33 HG23 THR 33 -3.233 3.480 4.300 7 H THR 33 HN THR 33 -2.217 2.968 2.374 No H/Q in entry = 7 In of MODEL 26 1 HA3 GLY 34 HA2 GLY 34 -1.484 5.537 -1.789 2 H GLY 34 HN GLY 34 -1.546 4.688 0.424 3 HA2 GLY 34 HA1 GLY 34 -2.886 6.529 -1.420 No H/Q in entry = 3 In of MODEL 26 1 HA ARG 35 HA ARG 35 -0.335 9.738 0.081 2 HB2 ARG 35 HB2 ARG 35 -1.812 9.649 2.146 3 HG2 ARG 35 HG2 ARG 35 0.715 10.833 3.096 4 HD2 ARG 35 HD2 ARG 35 -2.167 11.462 2.991 5 HE ARG 35 HE ARG 35 -0.315 13.479 2.263 6 HH11 ARG 35 HH11 ARG 35 -3.097 12.902 4.290 7 HH12 ARG 35 HH12 ARG 35 -3.610 14.556 4.271 8 HH21 ARG 35 HH21 ARG 35 -0.988 15.655 2.237 9 HH22 ARG 35 HH22 ARG 35 -2.413 16.119 3.105 10 H ARG 35 HN ARG 35 -1.668 7.443 1.127 11 HB3 ARG 35 HB1 ARG 35 -0.453 8.903 2.977 12 HG3 ARG 35 HG1 ARG 35 0.101 11.429 1.552 13 HD3 ARG 35 HD1 ARG 35 -0.994 11.727 4.280 No H/Q in entry = 13 In of MODEL 26 1 HA SER 36 HA SER 36 3.473 7.472 0.976 2 HB2 SER 36 HB2 SER 36 2.828 7.701 3.471 3 HG SER 36 HG SER 36 4.839 6.536 4.043 4 H SER 36 HN SER 36 0.692 6.740 1.553 5 HB3 SER 36 HB1 SER 36 2.787 5.938 3.474 No H/Q in entry = 5 In of MODEL 26 1 HA CYS 37 HA CYS 37 3.783 3.496 -0.652 2 HB2 CYS 37 HB2 CYS 37 6.198 4.412 -0.655 3 H CYS 37 HN CYS 37 4.920 5.520 1.002 4 HB3 CYS 37 HB1 CYS 37 6.476 3.295 0.676 No H/Q in entry = 4 In of MODEL 26 1 HA GLU 38 HA GLU 38 4.530 1.054 3.443 2 HB2 GLU 38 HB2 GLU 38 5.048 3.257 4.821 3 HG2 GLU 38 HG2 GLU 38 3.786 1.222 6.548 4 H GLU 38 HN GLU 38 4.533 3.768 2.744 5 HB3 GLU 38 HB1 GLU 38 3.370 3.071 5.312 6 HG3 GLU 38 HG1 GLU 38 5.091 0.676 5.496 No H/Q in entry = 6 In of MODEL 26 1 HA CYS 39 HA CYS 39 0.124 0.640 3.829 2 HB2 CYS 39 HB2 CYS 39 1.623 -1.891 3.456 3 H CYS 39 HN CYS 39 2.841 -0.074 4.708 4 HB3 CYS 39 HB1 CYS 39 -0.062 -2.049 3.938 No H/Q in entry = 4 In of MODEL 26 1 HA PRO 40 HA PRO 40 0.079 0.213 8.408 2 HB2 PRO 40 HB2 PRO 40 -1.916 2.020 8.784 3 HG2 PRO 40 HG2 PRO 40 -2.397 2.519 6.568 4 HD2 PRO 40 HD2 PRO 40 -0.955 1.973 4.854 5 HB3 PRO 40 HB1 PRO 40 -0.218 2.481 8.620 6 HG3 PRO 40 HG1 PRO 40 -1.148 3.735 6.896 7 HD3 PRO 40 HD1 PRO 40 0.468 2.573 5.730 No H/Q in entry = 7 In of MODEL 26 1 HA SER 41 HA SER 41 -3.587 -2.146 8.460 2 HB2 SER 41 HB2 SER 41 -3.778 -3.396 10.492 3 HG SER 41 HG SER 41 -2.298 -1.311 11.725 4 H SER 41 HN SER 41 -1.648 -0.469 9.860 5 HB3 SER 41 HB1 SER 41 -2.060 -3.075 10.254 No H/Q in entry = 5 In of MODEL 26 1 HA TYR 42 HA TYR 42 -6.448 0.792 10.230 2 HB2 TYR 42 HB2 TYR 42 -4.471 2.577 9.846 3 HD1 TYR 42 HD1 TYR 42 -4.816 3.085 12.119 4 HD2 TYR 42 HD2 TYR 42 -7.951 3.744 9.318 5 HE1 TYR 42 HE1 TYR 42 -6.092 4.293 13.839 6 HE2 TYR 42 HE2 TYR 42 -9.235 4.955 11.031 7 HH TYR 42 HH TYR 42 -8.920 4.744 14.057 8 H TYR 42 HN TYR 42 -4.252 0.494 8.288 9 HB3 TYR 42 HB1 TYR 42 -5.598 3.131 8.613 No H/Q in entry = 9 In of MODEL 26 1 HA PRO 43 HA PRO 43 -8.551 -0.381 6.284 2 HB2 PRO 43 HB2 PRO 43 -10.724 -0.573 8.317 3 HG2 PRO 43 HG2 PRO 43 -9.674 -2.256 9.535 4 HD2 PRO 43 HD2 PRO 43 -8.437 -0.433 10.216 5 HB3 PRO 43 HB1 PRO 43 -10.301 -1.688 7.012 6 HG3 PRO 43 HG1 PRO 43 -8.558 -2.639 8.211 7 HD3 PRO 43 HD1 PRO 43 -7.118 -1.368 9.484 No H/Q in entry = 7 In of MODEL 26 1 HA3 GLY 44 HA2 GLY 44 -12.451 2.089 5.343 2 H GLY 44 HN GLY 44 -10.936 0.363 5.657 3 HA2 GLY 44 HA1 GLY 44 -11.686 2.957 6.665 No H/Q in entry = 3 In of MODEL 26 1 HA ASN 45 HA ASN 45 -8.631 2.775 2.344 2 HB2 ASN 45 HB2 ASN 45 -11.099 3.548 1.841 3 HD21 ASN 45 HD21 ASN 45 -11.425 4.693 -0.194 4 HD22 ASN 45 HD22 ASN 45 -10.111 4.790 -1.311 5 H ASN 45 HN ASN 45 -9.849 1.740 3.961 6 HB3 ASN 45 HB1 ASN 45 -10.491 5.119 2.353 No H/Q in entry = 6 In of MODEL 26 1 HA3 GLY 46 HA2 GLY 46 -5.232 4.810 4.193 2 H GLY 46 HN GLY 46 -6.919 3.124 3.862 3 HA2 GLY 46 HA1 GLY 46 -6.516 5.988 4.420 No H/Q in entry = 3 In of MODEL 27 1 H1 ALA 1 HT2 ALA 1 21.028 7.564 -2.223 2 H2 ALA 1 HT1 ALA 1 20.338 6.755 -3.570 3 H3 ALA 1 HT3 ALA 1 21.852 7.542 -3.729 4 HA ALA 1 HA ALA 1 20.922 9.630 -3.534 5 HB3 ALA 1 HB1 ALA 1 18.801 8.420 -5.198 6 HB1 ALA 1 HB2 ALA 1 20.466 8.044 -5.641 7 HB2 ALA 1 HB3 ALA 1 19.931 9.723 -5.566 No H/Q in entry = 7 In of MODEL 27 1 HA MET 2 HA MET 2 16.578 7.133 -1.672 2 HB2 MET 2 HB2 MET 2 18.331 8.082 -0.015 3 H MET 2 HN MET 2 18.478 7.135 -2.921 4 HG2 MET 2 HG2 MET 2 15.755 7.378 0.364 5 HE3 MET 2 HE1 MET 2 14.484 10.130 3.306 6 HB3 MET 2 HB1 MET 2 17.535 9.624 -0.291 7 HE2 MET 2 HE2 MET 2 16.244 10.033 3.241 8 HE1 MET 2 HE3 MET 2 15.280 8.557 3.274 9 HG3 MET 2 HG1 MET 2 16.851 7.888 1.647 No H/Q in entry = 9 In of MODEL 27 1 HA ASP 3 HA ASP 3 13.899 10.184 -3.201 2 HB2 ASP 3 HB2 ASP 3 15.595 9.483 -5.546 3 H ASP 3 HN ASP 3 15.280 7.648 -3.482 4 HB3 ASP 3 HB1 ASP 3 14.056 10.277 -5.866 No H/Q in entry = 4 In of MODEL 27 1 HA CYS 4 HA CYS 4 10.072 9.362 -5.605 2 HB2 CYS 4 HB2 CYS 4 11.689 8.147 -7.128 3 H CYS 4 HN CYS 4 12.037 10.255 -4.891 4 HB3 CYS 4 HB1 CYS 4 11.601 6.789 -6.011 No H/Q in entry = 4 In of MODEL 27 1 HA THR 5 HA THR 5 8.551 7.065 -2.249 2 HB THR 5 HB THR 5 6.145 6.895 -2.292 3 HG1 THR 5 HG1 THR 5 6.297 7.368 -5.082 4 HG22 THR 5 HG21 THR 5 5.785 9.190 -3.772 5 HG21 THR 5 HG22 THR 5 7.459 9.296 -3.225 6 HG23 THR 5 HG23 THR 5 6.158 9.097 -2.051 7 H THR 5 HN THR 5 8.349 7.860 -5.042 No H/Q in entry = 7 In of MODEL 27 1 HA THR 6 HA THR 6 8.068 2.850 -3.435 2 HB THR 6 HB THR 6 10.051 1.644 -2.270 3 HG1 THR 6 HG1 THR 6 10.812 4.344 -1.867 4 HG23 THR 6 HG21 THR 6 11.379 2.065 -4.041 5 HG22 THR 6 HG22 THR 6 11.153 3.811 -3.940 6 HG21 THR 6 HG23 THR 6 9.902 2.800 -4.664 7 H THR 6 HN THR 6 8.664 5.024 -1.548 No H/Q in entry = 7 In of MODEL 27 1 HA3 GLY 7 HA2 GLY 7 7.433 0.237 0.283 2 H GLY 7 HN GLY 7 7.638 0.776 -2.397 3 HA2 GLY 7 HA1 GLY 7 5.957 1.111 -0.099 No H/Q in entry = 3 In of MODEL 27 1 HA PRO 8 HA PRO 8 5.454 -3.481 -1.019 2 HB2 PRO 8 HB2 PRO 8 3.365 -3.924 0.656 3 HG2 PRO 8 HG2 PRO 8 3.153 -1.802 1.573 4 HD2 PRO 8 HD2 PRO 8 4.821 -0.223 1.388 5 HB3 PRO 8 HB1 PRO 8 5.051 -4.081 1.164 6 HG3 PRO 8 HG1 PRO 8 4.298 -2.523 2.719 7 HD3 PRO 8 HD1 PRO 8 6.094 -1.375 1.839 No H/Q in entry = 7 In of MODEL 27 1 HA CYS 9 HA CYS 9 1.119 -1.968 -2.178 2 HB2 CYS 9 HB2 CYS 9 0.700 -0.224 -0.477 3 H CYS 9 HN CYS 9 3.220 -0.796 -0.630 4 HB3 CYS 9 HB1 CYS 9 1.591 0.933 -1.460 No H/Q in entry = 4 In of MODEL 27 1 HA CYS 10 HA CYS 10 2.645 0.777 -5.627 2 HB2 CYS 10 HB2 CYS 10 4.270 2.588 -5.806 3 H CYS 10 HN CYS 10 3.286 0.794 -2.830 4 HB3 CYS 10 HB1 CYS 10 3.201 2.863 -4.435 No H/Q in entry = 4 In of MODEL 27 1 HA ARG 11 HA ARG 11 6.504 -1.246 -6.595 2 HB2 ARG 11 HB2 ARG 11 4.314 -1.982 -7.975 3 HG2 ARG 11 HG2 ARG 11 6.585 -3.239 -7.360 4 HD2 ARG 11 HD2 ARG 11 7.352 -2.165 -9.716 5 HE ARG 11 HE ARG 11 6.285 -3.353 -11.355 6 HH11 ARG 11 HH11 ARG 11 7.296 -5.551 -8.841 7 HH12 ARG 11 HH12 ARG 11 6.886 -6.971 -9.744 8 HH21 ARG 11 HH21 ARG 11 5.745 -5.218 -12.545 9 HH22 ARG 11 HH22 ARG 11 6.006 -6.782 -11.847 10 H ARG 11 HN ARG 11 4.446 0.738 -7.277 11 HB3 ARG 11 HB1 ARG 11 5.311 -1.411 -9.305 12 HG3 ARG 11 HG1 ARG 11 5.365 -3.922 -8.437 13 HD3 ARG 11 HD1 ARG 11 7.985 -3.676 -9.064 No H/Q in entry = 13 In of MODEL 27 1 HA GLN 12 HA GLN 12 10.185 0.511 -8.147 2 HB2 GLN 12 HB2 GLN 12 8.203 0.220 -10.325 3 HG2 GLN 12 HG2 GLN 12 11.179 -0.185 -10.372 4 HE21 GLN 12 HE21 GLN 12 8.903 -2.558 -11.325 5 HE22 GLN 12 HE22 GLN 12 9.101 -2.387 -13.032 6 H GLN 12 HN GLN 12 8.471 -0.600 -7.152 7 HB3 GLN 12 HB1 GLN 12 9.449 1.436 -10.574 8 HG3 GLN 12 HG1 GLN 12 10.038 -1.419 -9.840 No H/Q in entry = 8 In of MODEL 27 1 HA CYS 13 HA CYS 13 7.840 4.560 -7.803 2 HB2 CYS 13 HB2 CYS 13 9.276 4.606 -10.409 3 H CYS 13 HN CYS 13 7.600 2.385 -9.662 4 HB3 CYS 13 HB1 CYS 13 8.458 6.083 -9.912 No H/Q in entry = 4 In of MODEL 27 1 HA LYS 14 HA LYS 14 3.978 5.648 -9.360 2 HB2 LYS 14 HB2 LYS 14 4.241 2.830 -10.260 3 HG2 LYS 14 HG2 LYS 14 3.912 5.498 -11.496 4 HD2 LYS 14 HD2 LYS 14 1.961 4.194 -12.322 5 HE2 LYS 14 HE2 LYS 14 4.112 2.357 -13.366 6 HZ2 LYS 14 HZ1 LYS 14 2.659 2.189 -15.062 7 HZ1 LYS 14 HZ2 LYS 14 1.352 2.793 -14.173 8 HZ3 LYS 14 HZ3 LYS 14 1.825 1.179 -13.990 9 H LYS 14 HN LYS 14 5.564 3.887 -7.806 10 HB3 LYS 14 HB1 LYS 14 2.622 3.516 -10.261 11 HG3 LYS 14 HG1 LYS 14 4.955 4.151 -11.957 12 HD3 LYS 14 HD1 LYS 14 3.125 4.609 -13.582 13 HE3 LYS 14 HE1 LYS 14 2.878 1.953 -12.173 No H/Q in entry = 13 In of MODEL 27 1 HA LEU 15 HA LEU 15 2.130 4.625 -5.434 2 HB2 LEU 15 HB2 LEU 15 2.312 7.276 -5.725 3 HG LEU 15 HG LEU 15 2.066 6.173 -3.532 4 HD11 LEU 15 HD11 LEU 15 1.666 8.716 -4.064 5 HD13 LEU 15 HD12 LEU 15 1.389 8.068 -2.447 6 HD12 LEU 15 HD13 LEU 15 0.026 8.339 -3.534 7 HD22 LEU 15 HD21 LEU 15 0.187 4.754 -3.898 8 HD21 LEU 15 HD22 LEU 15 -0.849 6.127 -4.287 9 HD23 LEU 15 HD23 LEU 15 -0.258 5.907 -2.640 10 H LEU 15 HN LEU 15 2.960 6.292 -7.533 11 HB3 LEU 15 HB1 LEU 15 0.589 7.100 -5.997 No H/Q in entry = 11 In of MODEL 27 1 HA LYS 16 HA LYS 16 -1.259 2.764 -7.493 2 HB2 LYS 16 HB2 LYS 16 -1.417 1.623 -4.700 3 HG2 LYS 16 HG2 LYS 16 0.759 1.293 -6.236 4 HD2 LYS 16 HD2 LYS 16 -0.886 -1.128 -6.892 5 HE2 LYS 16 HE2 LYS 16 1.782 -0.725 -6.978 6 HZ3 LYS 16 HZ1 LYS 16 0.973 -0.335 -9.789 7 HZ2 LYS 16 HZ2 LYS 16 2.506 -0.167 -9.095 8 HZ1 LYS 16 HZ3 LYS 16 1.310 0.990 -8.792 9 H LYS 16 HN LYS 16 0.576 3.155 -5.374 10 HB3 LYS 16 HB1 LYS 16 -2.173 0.974 -6.149 11 HG3 LYS 16 HG1 LYS 16 0.129 0.055 -5.147 12 HD3 LYS 16 HD1 LYS 16 -0.805 0.250 -7.992 13 HE3 LYS 16 HE1 LYS 16 0.915 -1.837 -8.036 No H/Q in entry = 13 In of MODEL 27 1 HA PRO 17 HA PRO 17 -4.701 5.372 -6.656 2 HB2 PRO 17 HB2 PRO 17 -6.377 2.911 -6.815 3 HG2 PRO 17 HG2 PRO 17 -5.573 2.288 -8.910 4 HD2 PRO 17 HD2 PRO 17 -3.790 1.660 -7.588 5 HB3 PRO 17 HB1 PRO 17 -6.540 4.442 -7.683 6 HG3 PRO 17 HG1 PRO 17 -4.895 3.897 -9.225 7 HD3 PRO 17 HD1 PRO 17 -2.941 2.844 -8.602 No H/Q in entry = 7 In of MODEL 27 1 HA ALA 18 HA ALA 18 -5.340 4.983 -2.380 2 HB3 ALA 18 HB1 ALA 18 -7.647 6.806 -3.003 3 HB1 ALA 18 HB2 ALA 18 -5.977 7.371 -2.955 4 HB2 ALA 18 HB3 ALA 18 -6.718 6.684 -1.509 5 H ALA 18 HN ALA 18 -5.829 6.079 -4.909 No H/Q in entry = 5 In of MODEL 27 1 HA3 GLY 19 HA2 GLY 19 -8.034 2.030 -0.584 2 H GLY 19 HN GLY 19 -6.144 3.208 -1.485 3 HA2 GLY 19 HA1 GLY 19 -8.966 2.535 -1.986 No H/Q in entry = 3 In of MODEL 27 1 HA THR 20 HA THR 20 -6.813 -1.080 -3.618 2 HB THR 20 HB THR 20 -4.052 0.088 -3.983 3 HG1 THR 20 HG1 THR 20 -6.406 0.538 -5.496 4 HG21 THR 20 HG21 THR 20 -4.817 -2.346 -4.723 5 HG23 THR 20 HG22 THR 20 -3.719 -1.355 -5.685 6 HG22 THR 20 HG23 THR 20 -5.431 -1.435 -6.103 7 H THR 20 HN THR 20 -5.716 1.308 -2.294 No H/Q in entry = 7 In of MODEL 27 1 HA THR 21 HA THR 21 -5.027 -3.481 -0.493 2 HB THR 21 HB THR 21 -4.924 -5.912 -1.208 3 HG1 THR 21 HG1 THR 21 -5.537 -6.451 -3.200 4 HG22 THR 21 HG21 THR 21 -7.608 -5.377 -2.024 5 HG21 THR 21 HG22 THR 21 -7.167 -4.324 -0.680 6 HG23 THR 21 HG23 THR 21 -7.013 -6.074 -0.517 7 H THR 21 HN THR 21 -6.053 -3.106 -3.117 No H/Q in entry = 7 In of MODEL 27 1 HA CYS 22 HA CYS 22 -0.860 -3.698 -1.853 2 HB2 CYS 22 HB2 CYS 22 0.579 -2.621 -0.092 3 H CYS 22 HN CYS 22 -2.987 -3.427 0.155 4 HB3 CYS 22 HB1 CYS 22 -0.727 -1.607 -0.696 No H/Q in entry = 4 In of MODEL 27 1 HA TRP 23 HA TRP 23 0.211 -6.902 1.224 2 HB2 TRP 23 HB2 TRP 23 0.242 -5.382 3.217 3 HD1 TRP 23 HD1 TRP 23 1.619 -8.153 2.429 4 HE1 TRP 23 HE1 TRP 23 2.210 -9.832 4.288 5 HE3 TRP 23 HE3 TRP 23 -1.572 -6.498 6.065 6 HZ2 TRP 23 HZ2 TRP 23 1.428 -10.382 6.944 7 HZ3 TRP 23 HZ3 TRP 23 -1.588 -7.656 8.236 8 HH2 TRP 23 HH2 TRP 23 -0.119 -9.558 8.665 9 H TRP 23 HN TRP 23 -1.821 -4.783 1.379 10 HB3 TRP 23 HB1 TRP 23 -1.347 -6.002 3.654 No H/Q in entry = 10 In of MODEL 27 1 HA ARG 24 HA ARG 24 -2.930 -9.937 1.749 2 HB2 ARG 24 HB2 ARG 24 -3.612 -10.671 -0.610 3 HG2 ARG 24 HG2 ARG 24 -2.371 -8.198 -1.639 4 HD2 ARG 24 HD2 ARG 24 -3.047 -10.912 -2.752 5 HE ARG 24 HE ARG 24 -1.334 -8.936 -3.910 6 HH11 ARG 24 HH11 ARG 24 -3.746 -11.353 -4.627 7 HH12 ARG 24 HH12 ARG 24 -3.196 -11.601 -6.250 8 HH21 ARG 24 HH21 ARG 24 -0.608 -9.261 -6.045 9 HH22 ARG 24 HH22 ARG 24 -1.414 -10.414 -7.055 10 H ARG 24 HN ARG 24 -0.439 -8.885 0.740 11 HB3 ARG 24 HB1 ARG 24 -3.899 -8.993 -0.170 12 HG3 ARG 24 HG1 ARG 24 -1.321 -9.608 -1.480 13 HD3 ARG 24 HD1 ARG 24 -3.878 -9.388 -3.058 No H/Q in entry = 13 In of MODEL 27 1 HA THR 25 HA THR 25 0.154 -13.123 1.235 2 HB THR 25 HB THR 25 0.869 -12.483 3.459 3 HG1 THR 25 HG1 THR 25 0.138 -15.221 3.429 4 HG23 THR 25 HG21 THR 25 -1.196 -12.147 4.613 5 HG22 THR 25 HG22 THR 25 -0.268 -13.383 5.462 6 HG21 THR 25 HG23 THR 25 -1.624 -13.849 4.436 7 H THR 25 HN THR 25 -1.629 -11.449 2.791 No H/Q in entry = 7 In of MODEL 27 1 HA SER 26 HA SER 26 -3.909 -15.391 1.145 2 HB2 SER 26 HB2 SER 26 -3.814 -17.343 2.449 3 HG SER 26 HG SER 26 -2.690 -16.070 4.674 4 H SER 26 HN SER 26 -2.975 -13.345 2.816 5 HB3 SER 26 HB1 SER 26 -2.211 -16.635 2.648 No H/Q in entry = 5 In of MODEL 27 1 HA VAL 27 HA VAL 27 -7.042 -13.938 4.093 2 HB VAL 27 HB VAL 27 -6.296 -15.362 5.949 3 H VAL 27 HN VAL 27 -4.106 -13.939 4.349 No H/Q in entry = 3 In of MODEL 27 1 HA SER 28 HA SER 28 -5.518 -9.815 6.017 2 HB2 SER 28 HB2 SER 28 -2.725 -10.432 5.113 3 HG SER 28 HG SER 28 -3.579 -9.197 7.500 4 H SER 28 HN SER 28 -4.203 -12.146 5.158 5 HB3 SER 28 HB1 SER 28 -3.205 -8.756 5.382 No H/Q in entry = 5 In of MODEL 27 1 HA SER 29 HA SER 29 -5.157 -7.405 2.186 2 HB2 SER 29 HB2 SER 29 -7.942 -8.062 3.116 3 HG SER 29 HG SER 29 -7.184 -8.772 0.610 4 H SER 29 HN SER 29 -5.577 -7.721 4.969 5 HB3 SER 29 HB1 SER 29 -7.679 -7.050 1.695 No H/Q in entry = 5 In of MODEL 27 1 HA HIS 30 HA HIS 30 -5.836 -3.556 4.381 2 HB2 HIS 30 HB2 HIS 30 -2.854 -3.926 4.253 3 HD1 HIS 30 HD1 HIS 30 -1.844 -4.226 6.602 4 HD2 HIS 30 HD2 HIS 30 -5.981 -3.831 6.580 5 HE1 HIS 30 HE1 HIS 30 -2.596 -4.893 8.908 6 HE2 HIS 30 HE2 HIS 30 -5.093 -4.563 8.896 7 H HIS 30 HN HIS 30 -4.093 -5.618 3.280 8 HB3 HIS 30 HB1 HIS 30 -3.554 -2.365 4.667 No H/Q in entry = 8 In of MODEL 27 1 HA TYR 31 HA TYR 31 -5.840 -1.447 0.584 2 HB2 TYR 31 HB2 TYR 31 -7.040 0.677 2.359 3 HD1 TYR 31 HD1 TYR 31 -7.887 -2.417 0.452 4 HD2 TYR 31 HD2 TYR 31 -9.089 0.399 3.406 5 HE1 TYR 31 HE1 TYR 31 -9.859 -3.796 0.956 6 HE2 TYR 31 HE2 TYR 31 -11.064 -0.973 3.919 7 HH TYR 31 HH TYR 31 -12.130 -3.475 1.936 8 H TYR 31 HN TYR 31 -6.265 -1.627 3.423 9 HB3 TYR 31 HB1 TYR 31 -7.308 0.429 0.636 No H/Q in entry = 9 In of MODEL 27 1 HA CYS 32 HA CYS 32 -2.618 1.469 0.855 2 HB2 CYS 32 HB2 CYS 32 -3.245 0.959 -1.700 3 H CYS 32 HN CYS 32 -5.217 0.804 -0.305 4 HB3 CYS 32 HB1 CYS 32 -3.517 2.698 -1.699 No H/Q in entry = 4 In of MODEL 27 1 HA THR 33 HA THR 33 -3.999 5.178 2.578 2 HB THR 33 HB THR 33 -1.998 6.879 2.584 3 HG1 THR 33 HG1 THR 33 -0.113 6.106 1.982 4 HG21 THR 33 HG21 THR 33 -2.805 5.002 4.370 5 HG23 THR 33 HG22 THR 33 -1.508 6.167 4.639 6 HG22 THR 33 HG23 THR 33 -1.127 4.534 4.092 7 H THR 33 HN THR 33 -2.027 3.522 1.476 No H/Q in entry = 7 In of MODEL 27 1 HA3 GLY 34 HA2 GLY 34 -3.135 6.338 -2.436 2 H GLY 34 HN GLY 34 -2.204 5.408 -0.462 3 HA2 GLY 34 HA1 GLY 34 -4.248 7.267 -1.442 No H/Q in entry = 3 In of MODEL 27 1 HA ARG 35 HA ARG 35 -1.106 10.326 -1.321 2 HB2 ARG 35 HB2 ARG 35 -2.232 10.414 1.111 3 HG2 ARG 35 HG2 ARG 35 0.033 12.297 0.561 4 HD2 ARG 35 HD2 ARG 35 -2.454 12.293 2.133 5 HE ARG 35 HE ARG 35 -3.273 14.176 1.157 6 HH11 ARG 35 HH11 ARG 35 0.210 14.286 0.963 7 HH12 ARG 35 HH12 ARG 35 0.245 15.865 0.254 8 HH21 ARG 35 HH21 ARG 35 -3.228 16.253 0.224 9 HH22 ARG 35 HH22 ARG 35 -1.706 16.982 -0.166 10 H ARG 35 HN ARG 35 -2.064 8.136 0.358 11 HB3 ARG 35 HB1 ARG 35 -0.547 10.277 1.596 12 HG3 ARG 35 HG1 ARG 35 -1.460 12.340 -0.380 13 HD3 ARG 35 HD1 ARG 35 -0.942 13.159 2.402 No H/Q in entry = 13 In of MODEL 27 1 HA SER 36 HA SER 36 2.757 8.134 -0.466 2 HB2 SER 36 HB2 SER 36 2.442 8.795 2.013 3 HG SER 36 HG SER 36 4.487 7.809 2.527 4 H SER 36 HN SER 36 0.063 7.642 0.598 5 HB3 SER 36 HB1 SER 36 2.357 7.060 2.319 No H/Q in entry = 5 In of MODEL 27 1 HA CYS 37 HA CYS 37 2.811 3.930 -1.404 2 HB2 CYS 37 HB2 CYS 37 5.630 4.491 -0.566 3 H CYS 37 HN CYS 37 4.163 6.133 -0.199 4 HB3 CYS 37 HB1 CYS 37 5.165 2.842 -0.970 No H/Q in entry = 4 In of MODEL 27 1 HA GLU 38 HA GLU 38 3.769 2.099 2.927 2 HB2 GLU 38 HB2 GLU 38 3.673 4.869 4.067 3 HG2 GLU 38 HG2 GLU 38 5.633 2.699 3.878 4 H GLU 38 HN GLU 38 3.899 4.692 1.828 5 HB3 GLU 38 HB1 GLU 38 3.341 3.488 5.104 6 HG3 GLU 38 HG1 GLU 38 5.869 4.443 3.984 No H/Q in entry = 6 In of MODEL 27 1 HA CYS 39 HA CYS 39 -0.568 2.001 3.509 2 HB2 CYS 39 HB2 CYS 39 0.674 -0.695 3.687 3 H CYS 39 HN CYS 39 2.154 1.046 4.079 4 HB3 CYS 39 HB1 CYS 39 -0.994 -0.542 4.227 No H/Q in entry = 4 In of MODEL 27 1 HA PRO 40 HA PRO 40 -1.342 2.627 7.808 2 HB2 PRO 40 HB2 PRO 40 -4.013 2.167 7.922 3 HG2 PRO 40 HG2 PRO 40 -4.308 1.110 5.875 4 HD2 PRO 40 HD2 PRO 40 -2.714 1.207 4.215 5 HB3 PRO 40 HB1 PRO 40 -3.322 3.616 7.183 6 HG3 PRO 40 HG1 PRO 40 -4.563 2.798 5.394 7 HD3 PRO 40 HD1 PRO 40 -2.490 2.958 4.399 No H/Q in entry = 7 In of MODEL 27 1 HA SER 41 HA SER 41 -1.494 -1.388 9.505 2 HB2 SER 41 HB2 SER 41 0.209 -0.127 10.862 3 HG SER 41 HG SER 41 0.341 -1.943 11.883 4 H SER 41 HN SER 41 -1.506 1.509 9.718 5 HB3 SER 41 HB1 SER 41 -1.085 0.305 11.979 No H/Q in entry = 5 In of MODEL 27 1 HA TYR 42 HA TYR 42 -5.430 -0.846 11.718 2 HB2 TYR 42 HB2 TYR 42 -6.371 1.112 13.070 3 HD1 TYR 42 HD1 TYR 42 -6.572 3.372 12.396 4 HD2 TYR 42 HD2 TYR 42 -2.716 1.688 13.025 5 HE1 TYR 42 HE1 TYR 42 -5.575 5.615 12.254 6 HE2 TYR 42 HE2 TYR 42 -1.709 3.926 12.886 7 HH TYR 42 HH TYR 42 -2.877 6.391 11.562 8 H TYR 42 HN TYR 42 -3.506 1.174 10.768 9 HB3 TYR 42 HB1 TYR 42 -4.826 0.452 13.594 No H/Q in entry = 9 In of MODEL 27 1 HA PRO 43 HA PRO 43 -7.319 0.812 7.837 2 HB2 PRO 43 HB2 PRO 43 -9.023 -1.546 8.492 3 HG2 PRO 43 HG2 PRO 43 -7.283 -3.079 8.288 4 HD2 PRO 43 HD2 PRO 43 -6.779 -2.170 10.347 5 HB3 PRO 43 HB1 PRO 43 -8.343 -1.045 6.940 6 HG3 PRO 43 HG1 PRO 43 -6.252 -1.926 7.420 7 HD3 PRO 43 HD1 PRO 43 -5.287 -1.711 9.502 No H/Q in entry = 7 In of MODEL 27 1 HA3 GLY 44 HA2 GLY 44 -10.356 2.993 10.092 2 H GLY 44 HN GLY 44 -8.928 2.264 7.775 3 HA2 GLY 44 HA1 GLY 44 -10.683 3.572 8.465 No H/Q in entry = 3 In of MODEL 27 1 HA ASN 45 HA ASN 45 -14.172 1.001 10.039 2 HB2 ASN 45 HB2 ASN 45 -14.901 3.573 10.379 3 HD21 ASN 45 HD21 ASN 45 -17.103 3.845 11.232 4 HD22 ASN 45 HD22 ASN 45 -17.911 2.455 11.862 5 H ASN 45 HN ASN 45 -12.905 3.456 9.570 6 HB3 ASN 45 HB1 ASN 45 -15.816 3.202 8.921 No H/Q in entry = 6 In of MODEL 27 1 HA3 GLY 46 HA2 GLY 46 -15.970 0.371 5.959 2 H GLY 46 HN GLY 46 -15.672 -0.183 8.763 3 HA2 GLY 46 HA1 GLY 46 -14.864 -0.957 6.273 No H/Q in entry = 3 In of MODEL 28 1 H1 ALA 1 HT1 ALA 1 14.690 7.244 2.242 2 H2 ALA 1 HT3 ALA 1 14.164 5.814 1.456 3 H3 ALA 1 HT2 ALA 1 15.839 6.176 1.546 4 HA ALA 1 HA ALA 1 15.614 8.004 0.138 5 HB3 ALA 1 HB1 ALA 1 15.328 6.865 -1.833 6 HB2 ALA 1 HB2 ALA 1 13.931 5.968 -1.240 7 HB1 ALA 1 HB3 ALA 1 15.553 5.525 -0.709 No H/Q in entry = 7 In of MODEL 28 1 HA MET 2 HA MET 2 11.526 9.578 -0.345 2 HB2 MET 2 HB2 MET 2 13.405 11.696 0.672 3 H MET 2 HN MET 2 14.457 9.699 -0.583 4 HG2 MET 2 HG2 MET 2 11.769 11.624 2.603 5 HE1 MET 2 HE1 MET 2 11.710 8.082 2.495 6 HB3 MET 2 HB1 MET 2 11.723 12.064 0.314 7 HE3 MET 2 HE2 MET 2 11.856 8.569 4.184 8 HE2 MET 2 HE3 MET 2 13.094 7.548 3.450 9 HG3 MET 2 HG1 MET 2 11.133 10.151 1.875 No H/Q in entry = 9 In of MODEL 28 1 HA ASP 3 HA ASP 3 12.041 11.358 -4.314 2 HB2 ASP 3 HB2 ASP 3 14.150 11.520 -5.610 3 H ASP 3 HN ASP 3 13.121 9.188 -2.685 4 HB3 ASP 3 HB1 ASP 3 14.343 12.036 -3.937 No H/Q in entry = 4 In of MODEL 28 1 HA CYS 4 HA CYS 4 10.735 7.896 -6.590 2 HB2 CYS 4 HB2 CYS 4 13.227 7.121 -5.772 3 H CYS 4 HN CYS 4 11.122 8.709 -3.941 4 HB3 CYS 4 HB1 CYS 4 12.267 5.702 -5.367 No H/Q in entry = 4 In of MODEL 28 1 HA THR 5 HA THR 5 9.428 5.793 -1.881 2 HB THR 5 HB THR 5 7.231 5.789 -3.866 3 HG1 THR 5 HG1 THR 5 7.018 7.960 -3.918 4 HG23 THR 5 HG21 THR 5 5.916 5.988 -2.086 5 HG22 THR 5 HG22 THR 5 6.896 7.279 -1.391 6 HG21 THR 5 HG23 THR 5 7.354 5.594 -1.145 7 H THR 5 HN THR 5 10.905 6.884 -3.223 No H/Q in entry = 7 In of MODEL 28 1 HA THR 6 HA THR 6 9.073 1.786 -3.625 2 HB THR 6 HB THR 6 11.139 0.467 -3.182 3 HG1 THR 6 HG1 THR 6 12.092 1.101 -1.406 4 HG23 THR 6 HG21 THR 6 12.696 1.810 -4.457 5 HG22 THR 6 HG22 THR 6 11.709 3.245 -4.182 6 HG21 THR 6 HG23 THR 6 11.076 1.912 -5.147 7 H THR 6 HN THR 6 9.973 3.732 -1.612 No H/Q in entry = 7 In of MODEL 28 1 HA3 GLY 7 HA2 GLY 7 8.379 -1.064 -0.308 2 H GLY 7 HN GLY 7 7.899 0.167 -2.805 3 HA2 GLY 7 HA1 GLY 7 7.079 0.105 -0.136 No H/Q in entry = 3 In of MODEL 28 1 HA PRO 8 HA PRO 8 5.167 -4.006 -1.204 2 HB2 PRO 8 HB2 PRO 8 2.958 -2.636 0.239 3 HG2 PRO 8 HG2 PRO 8 4.104 -2.459 2.256 4 HD2 PRO 8 HD2 PRO 8 5.115 -0.774 1.035 5 HB3 PRO 8 HB1 PRO 8 3.554 -4.291 0.403 6 HG3 PRO 8 HG1 PRO 8 5.315 -3.663 1.775 7 HD3 PRO 8 HD1 PRO 8 6.555 -1.754 1.382 No H/Q in entry = 7 In of MODEL 28 1 HA CYS 9 HA CYS 9 1.580 -1.733 -3.256 2 HB2 CYS 9 HB2 CYS 9 1.913 0.635 -1.506 3 H CYS 9 HN CYS 9 3.128 -1.080 -0.997 4 HB3 CYS 9 HB1 CYS 9 1.235 0.938 -3.102 No H/Q in entry = 4 In of MODEL 28 1 HA CYS 10 HA CYS 10 3.780 1.591 -5.829 2 HB2 CYS 10 HB2 CYS 10 5.486 3.184 -5.353 3 H CYS 10 HN CYS 10 3.497 1.242 -3.115 4 HB3 CYS 10 HB1 CYS 10 4.358 3.238 -4.005 No H/Q in entry = 4 In of MODEL 28 1 HA ARG 11 HA ARG 11 6.908 -1.369 -6.637 2 HB2 ARG 11 HB2 ARG 11 4.971 -1.124 -8.879 3 HG2 ARG 11 HG2 ARG 11 5.222 -2.852 -6.774 4 HD2 ARG 11 HD2 ARG 11 5.571 -4.877 -8.715 5 HE ARG 11 HE ARG 11 6.303 -5.572 -6.657 6 HH11 ARG 11 HH11 ARG 11 8.060 -2.702 -7.586 7 HH12 ARG 11 HH12 ARG 11 9.194 -2.823 -6.283 8 HH21 ARG 11 HH21 ARG 11 7.794 -5.731 -4.942 9 HH22 ARG 11 HH22 ARG 11 9.043 -4.542 -4.782 10 H ARG 11 HN ARG 11 4.891 0.626 -7.397 11 HB3 ARG 11 HB1 ARG 11 6.504 -1.912 -9.225 12 HG3 ARG 11 HG1 ARG 11 4.277 -3.138 -8.237 13 HD3 ARG 11 HD1 ARG 11 6.963 -3.801 -8.827 No H/Q in entry = 13 In of MODEL 28 1 HA GLN 12 HA GLN 12 9.306 0.958 -9.754 2 HB2 GLN 12 HB2 GLN 12 7.667 0.232 -11.696 3 HG2 GLN 12 HG2 GLN 12 9.443 2.335 -12.710 4 HE21 GLN 12 HE21 GLN 12 10.484 1.654 -14.564 5 HE22 GLN 12 HE22 GLN 12 10.090 0.173 -15.361 6 H GLN 12 HN GLN 12 6.432 0.502 -9.623 7 HB3 GLN 12 HB1 GLN 12 7.410 1.966 -11.831 8 HG3 GLN 12 HG1 GLN 12 10.220 1.118 -11.698 No H/Q in entry = 8 In of MODEL 28 1 HA CYS 13 HA CYS 13 8.297 4.414 -6.726 2 HB2 CYS 13 HB2 CYS 13 9.503 5.298 -9.356 3 H CYS 13 HN CYS 13 8.373 2.349 -7.673 4 HB3 CYS 13 HB1 CYS 13 9.494 6.229 -7.862 No H/Q in entry = 4 In of MODEL 28 1 HA LYS 14 HA LYS 14 4.757 6.050 -8.837 2 HB2 LYS 14 HB2 LYS 14 4.615 3.474 -10.365 3 HG2 LYS 14 HG2 LYS 14 4.782 6.352 -11.234 4 HD2 LYS 14 HD2 LYS 14 5.422 5.074 -13.428 5 HE2 LYS 14 HE2 LYS 14 2.761 5.792 -12.333 6 HZ2 LYS 14 HZ1 LYS 14 1.553 4.969 -14.085 7 HZ1 LYS 14 HZ2 LYS 14 2.614 3.683 -13.801 8 HZ3 LYS 14 HZ3 LYS 14 2.905 4.751 -15.079 9 H LYS 14 HN LYS 14 6.006 3.452 -8.240 10 HB3 LYS 14 HB1 LYS 14 3.265 4.600 -10.415 11 HG3 LYS 14 HG1 LYS 14 6.104 5.183 -11.233 12 HD3 LYS 14 HD1 LYS 14 4.457 3.781 -12.712 13 HE3 LYS 14 HE1 LYS 14 3.627 6.445 -13.724 No H/Q in entry = 13 In of MODEL 28 1 HA LEU 15 HA LEU 15 2.363 4.478 -5.456 2 HB2 LEU 15 HB2 LEU 15 2.615 7.173 -5.355 3 HG LEU 15 HG LEU 15 0.699 5.514 -3.715 4 HD11 LEU 15 HD11 LEU 15 3.592 6.074 -3.638 5 HD13 LEU 15 HD12 LEU 15 2.687 4.672 -3.066 6 HD12 LEU 15 HD13 LEU 15 2.747 6.141 -2.092 7 HD23 LEU 15 HD21 LEU 15 1.758 8.267 -3.097 8 HD22 LEU 15 HD22 LEU 15 0.638 7.310 -2.128 9 HD21 LEU 15 HD23 LEU 15 0.133 7.936 -3.697 10 H LEU 15 HN LEU 15 3.493 6.419 -7.124 11 HB3 LEU 15 HB1 LEU 15 0.903 7.031 -5.708 No H/Q in entry = 11 In of MODEL 28 1 HA LYS 16 HA LYS 16 -0.793 3.129 -8.186 2 HB2 LYS 16 HB2 LYS 16 -0.675 1.442 -5.730 3 HG2 LYS 16 HG2 LYS 16 -0.840 -0.333 -7.625 4 HD2 LYS 16 HD2 LYS 16 1.423 1.303 -6.687 5 HE2 LYS 16 HE2 LYS 16 1.915 1.226 -9.078 6 HZ1 LYS 16 HZ1 LYS 16 0.637 -1.084 -9.196 7 HZ3 LYS 16 HZ2 LYS 16 2.220 -1.669 -9.072 8 HZ2 LYS 16 HZ3 LYS 16 1.801 -0.626 -10.336 9 H LYS 16 HN LYS 16 0.807 3.066 -5.858 10 HB3 LYS 16 HB1 LYS 16 -2.116 1.343 -6.733 11 HG3 LYS 16 HG1 LYS 16 -0.393 1.018 -8.668 12 HD3 LYS 16 HD1 LYS 16 1.203 -0.448 -6.671 13 HE3 LYS 16 HE1 LYS 16 3.029 0.215 -8.158 No H/Q in entry = 13 In of MODEL 28 1 HA PRO 17 HA PRO 17 -4.224 5.725 -7.262 2 HB2 PRO 17 HB2 PRO 17 -5.931 3.439 -8.129 3 HG2 PRO 17 HG2 PRO 17 -4.874 3.204 -10.189 4 HD2 PRO 17 HD2 PRO 17 -3.299 2.229 -8.814 5 HB3 PRO 17 HB1 PRO 17 -5.935 5.119 -8.678 6 HG3 PRO 17 HG1 PRO 17 -4.116 4.804 -10.083 7 HD3 PRO 17 HD1 PRO 17 -2.292 3.545 -9.451 No H/Q in entry = 7 In of MODEL 28 1 HA ALA 18 HA ALA 18 -5.457 4.588 -3.265 2 HB3 ALA 18 HB1 ALA 18 -7.673 6.513 -3.940 3 HB1 ALA 18 HB2 ALA 18 -6.064 7.009 -3.415 4 HB2 ALA 18 HB3 ALA 18 -7.090 6.061 -2.338 5 H ALA 18 HN ALA 18 -5.608 6.117 -5.592 No H/Q in entry = 5 In of MODEL 28 1 HA3 GLY 19 HA2 GLY 19 -8.539 1.574 -2.932 2 H GLY 19 HN GLY 19 -6.037 2.468 -3.420 3 HA2 GLY 19 HA1 GLY 19 -8.517 1.683 -4.686 No H/Q in entry = 3 In of MODEL 28 1 HA THR 20 HA THR 20 -5.847 -1.754 -5.158 2 HB THR 20 HB THR 20 -3.178 -0.596 -4.512 3 HG1 THR 20 HG1 THR 20 -4.751 0.168 -6.741 4 HG23 THR 20 HG21 THR 20 -2.943 -2.695 -5.431 5 HG22 THR 20 HG22 THR 20 -2.751 -1.640 -6.832 6 HG21 THR 20 HG23 THR 20 -4.284 -2.467 -6.554 7 H THR 20 HN THR 20 -5.619 1.004 -4.748 No H/Q in entry = 7 In of MODEL 28 1 HA THR 21 HA THR 21 -5.190 -3.333 -1.186 2 HB THR 21 HB THR 21 -4.229 -5.809 -1.481 3 HG1 THR 21 HG1 THR 21 -4.028 -6.373 -3.474 4 HG23 THR 21 HG21 THR 21 -6.413 -5.635 -0.712 5 HG22 THR 21 HG22 THR 21 -6.565 -6.520 -2.230 6 HG21 THR 21 HG23 THR 21 -6.960 -4.802 -2.167 7 H THR 21 HN THR 21 -4.795 -3.507 -4.036 No H/Q in entry = 7 In of MODEL 28 1 HA CYS 22 HA CYS 22 -0.882 -3.177 -0.417 2 HB2 CYS 22 HB2 CYS 22 -2.392 -1.986 1.477 3 H CYS 22 HN CYS 22 -3.610 -3.911 0.401 4 HB3 CYS 22 HB1 CYS 22 -1.594 -3.208 2.460 No H/Q in entry = 4 In of MODEL 28 1 HA TRP 23 HA TRP 23 -0.428 -7.232 1.609 2 HB2 TRP 23 HB2 TRP 23 0.210 -5.895 3.644 3 HD1 TRP 23 HD1 TRP 23 0.969 -8.753 2.311 4 HE1 TRP 23 HE1 TRP 23 1.864 -10.612 3.850 5 HE3 TRP 23 HE3 TRP 23 -0.811 -7.032 6.784 6 HZ2 TRP 23 HZ2 TRP 23 1.822 -11.262 6.596 7 HZ3 TRP 23 HZ3 TRP 23 -0.339 -8.331 8.819 8 HH2 TRP 23 HH2 TRP 23 0.949 -10.403 8.726 9 H TRP 23 HN TRP 23 -2.350 -5.087 2.216 10 HB3 TRP 23 HB1 TRP 23 -1.287 -6.437 4.396 No H/Q in entry = 10 In of MODEL 28 1 HA ARG 24 HA ARG 24 -4.371 -9.235 2.084 2 HB2 ARG 24 HB2 ARG 24 -5.117 -7.922 0.148 3 HG2 ARG 24 HG2 ARG 24 -6.183 -10.020 -1.158 4 HD2 ARG 24 HD2 ARG 24 -7.748 -10.016 1.050 5 HE ARG 24 HE ARG 24 -7.701 -8.376 -1.309 6 HH11 ARG 24 HH11 ARG 24 -9.360 -9.023 1.692 7 HH12 ARG 24 HH12 ARG 24 -10.865 -8.360 1.148 8 HH21 ARG 24 HH21 ARG 24 -9.678 -7.504 -2.026 9 HH22 ARG 24 HH22 ARG 24 -11.046 -7.498 -0.963 10 H ARG 24 HN ARG 24 -2.234 -8.127 0.398 11 HB3 ARG 24 HB1 ARG 24 -4.213 -8.982 -0.925 12 HG3 ARG 24 HG1 ARG 24 -5.748 -10.787 0.370 13 HD3 ARG 24 HD1 ARG 24 -6.878 -8.497 1.261 No H/Q in entry = 13 In of MODEL 28 1 HA THR 25 HA THR 25 -1.732 -12.794 1.196 2 HB THR 25 HB THR 25 -0.800 -12.290 3.416 3 HG1 THR 25 HG1 THR 25 -0.247 -14.283 2.700 4 HG23 THR 25 HG21 THR 25 -1.806 -13.061 5.442 5 HG22 THR 25 HG22 THR 25 -3.181 -13.725 4.560 6 HG21 THR 25 HG23 THR 25 -2.935 -11.980 4.626 7 H THR 25 HN THR 25 -2.928 -10.861 2.934 No H/Q in entry = 7 In of MODEL 28 1 HA SER 26 HA SER 26 -6.110 -14.371 1.400 2 HB2 SER 26 HB2 SER 26 -6.403 -16.096 3.406 3 HG SER 26 HG SER 26 -4.771 -16.168 4.745 4 H SER 26 HN SER 26 -4.721 -12.565 3.020 5 HB3 SER 26 HB1 SER 26 -5.113 -16.276 2.217 No H/Q in entry = 5 In of MODEL 28 1 HA VAL 27 HA VAL 27 -8.676 -12.483 4.626 2 HB VAL 27 HB VAL 27 -8.156 -14.220 6.281 3 H VAL 27 HN VAL 27 -5.783 -13.031 4.639 No H/Q in entry = 3 In of MODEL 28 1 HA SER 28 HA SER 28 -6.259 -8.997 6.890 2 HB2 SER 28 HB2 SER 28 -3.714 -10.155 5.861 3 HG SER 28 HG SER 28 -4.252 -10.452 8.019 4 H SER 28 HN SER 28 -5.500 -11.446 5.765 5 HB3 SER 28 HB1 SER 28 -3.772 -8.411 6.112 No H/Q in entry = 5 In of MODEL 28 1 HA SER 29 HA SER 29 -5.369 -6.343 3.251 2 HB2 SER 29 HB2 SER 29 -7.571 -5.655 2.606 3 HG SER 29 HG SER 29 -9.267 -5.582 4.021 4 H SER 29 HN SER 29 -5.617 -6.825 6.004 5 HB3 SER 29 HB1 SER 29 -7.724 -7.266 3.307 No H/Q in entry = 5 In of MODEL 28 1 HA HIS 30 HA HIS 30 -4.714 -2.713 5.748 2 HB2 HIS 30 HB2 HIS 30 -2.193 -3.538 4.407 3 HD1 HIS 30 HD1 HIS 30 -0.202 -3.304 6.278 4 HD2 HIS 30 HD2 HIS 30 -4.125 -3.272 7.648 5 HE1 HIS 30 HE1 HIS 30 -0.062 -3.840 8.732 6 HE2 HIS 30 HE2 HIS 30 -2.440 -3.728 9.556 7 H HIS 30 HN HIS 30 -3.917 -4.794 3.901 8 HB3 HIS 30 HB1 HIS 30 -2.342 -1.840 4.849 No H/Q in entry = 8 In of MODEL 28 1 HA TYR 31 HA TYR 31 -4.874 -1.846 0.516 2 HB2 TYR 31 HB2 TYR 31 -6.510 -0.325 2.558 3 HD1 TYR 31 HD1 TYR 31 -8.114 -1.593 3.606 4 HD2 TYR 31 HD2 TYR 31 -6.944 -2.647 -0.347 5 HE1 TYR 31 HE1 TYR 31 -9.740 -3.438 3.622 6 HE2 TYR 31 HE2 TYR 31 -8.568 -4.494 -0.341 7 HH TYR 31 HH TYR 31 -10.651 -5.112 0.821 8 H TYR 31 HN TYR 31 -4.334 -3.147 2.301 9 HB3 TYR 31 HB1 TYR 31 -6.672 -0.190 0.810 No H/Q in entry = 9 In of MODEL 28 1 HA CYS 32 HA CYS 32 -2.813 2.055 1.170 2 HB2 CYS 32 HB2 CYS 32 -2.729 1.021 -1.611 3 H CYS 32 HN CYS 32 -4.840 0.511 -0.300 4 HB3 CYS 32 HB1 CYS 32 -2.143 2.663 -1.364 No H/Q in entry = 4 In of MODEL 28 1 HA THR 33 HA THR 33 -5.802 5.157 0.499 2 HB THR 33 HB THR 33 -5.029 5.839 2.670 3 HG1 THR 33 HG1 THR 33 -4.753 8.052 0.923 4 HG21 THR 33 HG21 THR 33 -2.491 6.011 1.487 5 HG23 THR 33 HG22 THR 33 -2.931 6.297 3.171 6 HG22 THR 33 HG23 THR 33 -2.914 7.637 2.024 7 H THR 33 HN THR 33 -3.329 4.123 1.463 No H/Q in entry = 7 In of MODEL 28 1 HA3 GLY 34 HA2 GLY 34 -1.889 5.982 -2.746 2 H GLY 34 HN GLY 34 -2.469 5.431 -0.503 3 HA2 GLY 34 HA1 GLY 34 -3.370 6.919 -2.869 No H/Q in entry = 3 In of MODEL 28 1 HA ARG 35 HA ARG 35 -0.545 9.904 -0.999 2 HB2 ARG 35 HB2 ARG 35 -1.996 9.813 1.007 3 HG2 ARG 35 HG2 ARG 35 -0.560 11.107 2.576 4 HD2 ARG 35 HD2 ARG 35 0.191 12.756 0.601 5 HE ARG 35 HE ARG 35 -2.282 12.415 1.986 6 HH11 ARG 35 HH11 ARG 35 -0.719 14.201 -0.572 7 HH12 ARG 35 HH12 ARG 35 -1.783 15.560 -0.444 8 HH21 ARG 35 HH21 ARG 35 -3.683 14.202 2.157 9 HH22 ARG 35 HH22 ARG 35 -3.466 15.562 1.106 10 H ARG 35 HN ARG 35 -1.279 7.199 -0.096 11 HB3 ARG 35 HB1 ARG 35 -0.766 8.865 1.832 12 HG3 ARG 35 HG1 ARG 35 0.808 10.780 1.509 13 HD3 ARG 35 HD1 ARG 35 -0.937 11.732 -0.288 No H/Q in entry = 13 In of MODEL 28 1 HA SER 36 HA SER 36 3.299 7.487 -0.468 2 HB2 SER 36 HB2 SER 36 3.342 8.704 1.648 3 HG SER 36 HG SER 36 5.241 7.606 1.199 4 H SER 36 HN SER 36 0.627 6.923 0.420 5 HB3 SER 36 HB1 SER 36 2.746 7.282 2.503 No H/Q in entry = 5 In of MODEL 28 1 HA CYS 37 HA CYS 37 3.437 3.182 -0.573 2 HB2 CYS 37 HB2 CYS 37 5.873 4.116 -1.221 3 H CYS 37 HN CYS 37 4.772 5.648 -0.058 4 HB3 CYS 37 HB1 CYS 37 6.305 3.154 0.188 No H/Q in entry = 4 In of MODEL 28 1 HA GLU 38 HA GLU 38 5.133 2.519 3.925 2 HB2 GLU 38 HB2 GLU 38 5.593 5.045 4.318 3 HG2 GLU 38 HG2 GLU 38 4.897 4.570 6.906 4 H GLU 38 HN GLU 38 4.719 4.717 2.264 5 HB3 GLU 38 HB1 GLU 38 3.956 5.080 4.957 6 HG3 GLU 38 HG1 GLU 38 5.029 2.935 6.259 No H/Q in entry = 6 In of MODEL 28 1 HA CYS 39 HA CYS 39 0.893 1.572 4.592 2 HB2 CYS 39 HB2 CYS 39 2.092 -0.365 3.127 3 H CYS 39 HN CYS 39 3.761 0.951 4.418 4 HB3 CYS 39 HB1 CYS 39 1.769 -1.254 4.612 No H/Q in entry = 4 In of MODEL 28 1 HA PRO 40 HA PRO 40 2.051 1.011 9.010 2 HB2 PRO 40 HB2 PRO 40 0.135 2.680 9.966 3 HG2 PRO 40 HG2 PRO 40 -0.933 3.215 7.975 4 HD2 PRO 40 HD2 PRO 40 0.038 2.808 5.924 5 HB3 PRO 40 HB1 PRO 40 1.705 3.251 9.390 6 HG3 PRO 40 HG1 PRO 40 0.293 4.496 8.024 7 HD3 PRO 40 HD1 PRO 40 1.604 3.476 6.425 No H/Q in entry = 7 In of MODEL 28 1 HA SER 41 HA SER 41 -1.245 -1.655 9.940 2 HB2 SER 41 HB2 SER 41 0.638 -2.050 11.689 3 HG SER 41 HG SER 41 -0.512 -3.777 11.926 4 H SER 41 HN SER 41 0.722 0.267 10.853 5 HB3 SER 41 HB1 SER 41 -0.461 -1.255 12.816 No H/Q in entry = 5 In of MODEL 28 1 HA TYR 42 HA TYR 42 -4.569 0.734 11.391 2 HB2 TYR 42 HB2 TYR 42 -2.681 2.605 11.633 3 HD1 TYR 42 HD1 TYR 42 -6.302 3.184 10.878 4 HD2 TYR 42 HD2 TYR 42 -3.178 3.309 13.763 5 HE1 TYR 42 HE1 TYR 42 -7.888 4.044 12.549 6 HE2 TYR 42 HE2 TYR 42 -4.755 4.168 15.442 7 HH TYR 42 HH TYR 42 -7.732 3.903 15.476 8 H TYR 42 HN TYR 42 -2.446 0.575 9.410 9 HB3 TYR 42 HB1 TYR 42 -3.624 3.360 10.353 No H/Q in entry = 9 In of MODEL 28 1 HA PRO 43 HA PRO 43 -5.955 0.750 6.934 2 HB2 PRO 43 HB2 PRO 43 -7.735 -1.279 7.186 3 HG2 PRO 43 HG2 PRO 43 -7.475 -1.741 9.447 4 HD2 PRO 43 HD2 PRO 43 -5.667 -0.967 10.646 5 HB3 PRO 43 HB1 PRO 43 -6.024 -1.547 6.835 6 HG3 PRO 43 HG1 PRO 43 -6.251 -2.827 8.764 7 HD3 PRO 43 HD1 PRO 43 -4.505 -1.464 9.399 No H/Q in entry = 7 In of MODEL 28 1 HA3 GLY 44 HA2 GLY 44 -9.847 2.432 8.061 2 H GLY 44 HN GLY 44 -8.435 0.589 6.248 3 HA2 GLY 44 HA1 GLY 44 -10.106 2.320 6.326 No H/Q in entry = 3 In of MODEL 28 1 HA ASN 45 HA ASN 45 -12.949 -0.613 8.350 2 HB2 ASN 45 HB2 ASN 45 -13.658 1.654 10.206 3 HD21 ASN 45 HD21 ASN 45 -13.724 -1.789 10.751 4 HD22 ASN 45 HD22 ASN 45 -12.360 -1.845 11.810 5 H ASN 45 HN ASN 45 -12.012 2.152 8.577 6 HB3 ASN 45 HB1 ASN 45 -14.635 0.192 10.107 No H/Q in entry = 6 In of MODEL 28 1 HA3 GLY 46 HA2 GLY 46 -16.561 0.978 6.346 2 H GLY 46 HN GLY 46 -14.844 -1.171 7.379 3 HA2 GLY 46 HA1 GLY 46 -15.899 -0.193 5.215 No H/Q in entry = 3 In of MODEL 29 1 H1 ALA 1 HT2 ALA 1 15.696 13.623 -1.146 2 H2 ALA 1 HT1 ALA 1 16.759 14.968 -1.239 3 H3 ALA 1 HT3 ALA 1 15.063 15.215 -1.255 4 HA ALA 1 HA ALA 1 14.837 14.229 -3.334 5 HB1 ALA 1 HB1 ALA 1 17.274 15.832 -3.838 6 HB3 ALA 1 HB2 ALA 1 15.968 16.612 -2.946 7 HB2 ALA 1 HB3 ALA 1 15.666 15.952 -4.553 No H/Q in entry = 7 In of MODEL 29 1 HA MET 2 HA MET 2 17.739 11.406 -4.877 2 HB2 MET 2 HB2 MET 2 18.105 11.300 -2.246 3 H MET 2 HN MET 2 15.315 12.043 -3.470 4 HG2 MET 2 HG2 MET 2 19.117 9.452 -4.350 5 HE1 MET 2 HE1 MET 2 19.560 10.613 -0.885 6 HB3 MET 2 HB1 MET 2 17.346 9.727 -2.446 7 HE3 MET 2 HE2 MET 2 21.070 9.783 -0.504 8 HE2 MET 2 HE3 MET 2 19.536 9.137 0.081 9 HG3 MET 2 HG1 MET 2 19.965 10.712 -3.455 No H/Q in entry = 9 In of MODEL 29 1 HA ASP 3 HA ASP 3 14.909 7.781 -5.058 2 HB2 ASP 3 HB2 ASP 3 13.483 7.885 -2.396 3 H ASP 3 HN ASP 3 15.278 9.716 -2.918 4 HB3 ASP 3 HB1 ASP 3 13.627 6.506 -3.482 No H/Q in entry = 4 In of MODEL 29 1 HA CYS 4 HA CYS 4 10.608 9.385 -5.158 2 HB2 CYS 4 HB2 CYS 4 9.951 8.720 -7.544 3 H CYS 4 HN CYS 4 12.333 7.074 -4.961 4 HB3 CYS 4 HB1 CYS 4 11.471 9.584 -7.341 No H/Q in entry = 4 In of MODEL 29 1 HA THR 5 HA THR 5 7.951 6.819 -2.639 2 HB THR 5 HB THR 5 7.011 5.961 -5.317 3 HG1 THR 5 HG1 THR 5 7.335 7.932 -6.028 4 HG23 THR 5 HG21 THR 5 5.292 5.537 -3.957 5 HG22 THR 5 HG22 THR 5 4.956 7.260 -4.126 6 HG21 THR 5 HG23 THR 5 5.853 6.669 -2.727 7 H THR 5 HN THR 5 9.568 8.185 -3.470 No H/Q in entry = 7 In of MODEL 29 1 HA THR 6 HA THR 6 9.025 2.628 -3.249 2 HB THR 6 HB THR 6 11.345 3.146 -1.472 3 HG1 THR 6 HG1 THR 6 12.409 4.258 -3.177 4 HG23 THR 6 HG21 THR 6 12.570 1.908 -3.098 5 HG22 THR 6 HG22 THR 6 11.225 1.977 -4.237 6 HG21 THR 6 HG23 THR 6 11.076 1.039 -2.751 7 H THR 6 HN THR 6 8.782 5.068 -1.695 No H/Q in entry = 7 In of MODEL 29 1 HA3 GLY 7 HA2 GLY 7 9.169 0.143 0.566 2 H GLY 7 HN GLY 7 8.935 0.731 -1.988 3 HA2 GLY 7 HA1 GLY 7 7.750 1.177 0.650 No H/Q in entry = 3 In of MODEL 29 1 HA PRO 8 HA PRO 8 6.121 -3.078 0.063 2 HB2 PRO 8 HB2 PRO 8 3.884 -2.705 1.543 3 HG2 PRO 8 HG2 PRO 8 4.112 -0.446 2.028 4 HD2 PRO 8 HD2 PRO 8 6.109 0.662 1.741 5 HB3 PRO 8 HB1 PRO 8 5.446 -3.116 2.262 6 HG3 PRO 8 HG1 PRO 8 4.973 -1.149 3.410 7 HD3 PRO 8 HD1 PRO 8 7.042 -0.610 2.555 No H/Q in entry = 7 In of MODEL 29 1 HA CYS 9 HA CYS 9 2.571 -1.172 -2.131 2 HB2 CYS 9 HB2 CYS 9 1.752 0.080 0.125 3 H CYS 9 HN CYS 9 4.185 -0.085 0.064 4 HB3 CYS 9 HB1 CYS 9 1.872 1.457 -0.965 No H/Q in entry = 4 In of MODEL 29 1 HA CYS 10 HA CYS 10 4.700 1.918 -4.468 2 HB2 CYS 10 HB2 CYS 10 7.219 1.283 -2.925 3 H CYS 10 HN CYS 10 5.205 -0.404 -2.730 4 HB3 CYS 10 HB1 CYS 10 7.131 2.491 -4.202 No H/Q in entry = 4 In of MODEL 29 1 HA ARG 11 HA ARG 11 7.426 -0.652 -7.052 2 HB2 ARG 11 HB2 ARG 11 5.065 0.283 -8.000 3 HG2 ARG 11 HG2 ARG 11 7.085 -1.563 -9.101 4 HD2 ARG 11 HD2 ARG 11 4.669 -0.767 -10.713 5 HE ARG 11 HE ARG 11 6.491 -2.949 -10.951 6 HH11 ARG 11 HH11 ARG 11 4.563 -0.691 -12.785 7 HH12 ARG 11 HH12 ARG 11 4.423 -1.735 -14.159 8 HH21 ARG 11 HH21 ARG 11 6.307 -4.323 -12.758 9 HH22 ARG 11 HH22 ARG 11 5.412 -3.797 -14.144 10 H ARG 11 HN ARG 11 6.646 1.995 -6.152 11 HB3 ARG 11 HB1 ARG 11 6.171 0.959 -9.188 12 HG3 ARG 11 HG1 ARG 11 5.389 -1.838 -8.699 13 HD3 ARG 11 HD1 ARG 11 6.309 -0.227 -11.073 No H/Q in entry = 13 In of MODEL 29 1 HA GLN 12 HA GLN 12 10.731 1.247 -9.104 2 HB2 GLN 12 HB2 GLN 12 11.050 1.128 -11.555 3 HG2 GLN 12 HG2 GLN 12 8.138 0.520 -11.517 4 HE21 GLN 12 HE21 GLN 12 7.159 -0.681 -13.114 5 HE22 GLN 12 HE22 GLN 12 8.009 -1.848 -14.062 6 H GLN 12 HN GLN 12 8.280 -0.036 -9.591 7 HB3 GLN 12 HB1 GLN 12 10.508 -0.398 -10.868 8 HG3 GLN 12 HG1 GLN 12 9.070 1.504 -12.644 No H/Q in entry = 8 In of MODEL 29 1 HA CYS 13 HA CYS 13 9.848 5.524 -8.188 2 HB2 CYS 13 HB2 CYS 13 11.430 5.070 -10.273 3 H CYS 13 HN CYS 13 10.164 3.272 -8.170 4 HB3 CYS 13 HB1 CYS 13 10.022 5.636 -11.165 No H/Q in entry = 4 In of MODEL 29 1 HA LYS 14 HA LYS 14 5.613 5.815 -9.136 2 HB2 LYS 14 HB2 LYS 14 6.272 4.346 -11.204 3 HG2 LYS 14 HG2 LYS 14 4.081 5.828 -10.688 4 HD2 LYS 14 HD2 LYS 14 3.038 3.098 -11.426 5 HE2 LYS 14 HE2 LYS 14 1.284 5.274 -10.479 6 HZ1 LYS 14 HZ1 LYS 14 0.812 2.879 -11.482 7 HZ3 LYS 14 HZ2 LYS 14 0.792 3.767 -12.921 8 HZ2 LYS 14 HZ3 LYS 14 -0.267 4.170 -11.666 9 H LYS 14 HN LYS 14 7.548 3.859 -8.317 10 HB3 LYS 14 HB1 LYS 14 5.252 3.139 -10.432 11 HG3 LYS 14 HG1 LYS 14 4.356 4.954 -12.197 12 HD3 LYS 14 HD1 LYS 14 2.887 3.817 -9.821 13 HE3 LYS 14 HE1 LYS 14 1.981 5.480 -12.085 No H/Q in entry = 13 In of MODEL 29 1 HA LEU 15 HA LEU 15 4.018 3.679 -5.644 2 HB2 LEU 15 HB2 LEU 15 3.684 6.211 -5.259 3 HG LEU 15 HG LEU 15 3.040 4.222 -3.633 4 HD12 LEU 15 HD11 LEU 15 1.853 6.184 -2.240 5 HD11 LEU 15 HD12 LEU 15 2.634 7.140 -3.499 6 HD13 LEU 15 HD13 LEU 15 3.597 6.076 -2.475 7 HD21 LEU 15 HD21 LEU 15 0.474 5.115 -4.795 8 HD23 LEU 15 HD22 LEU 15 0.517 4.890 -3.047 9 HD22 LEU 15 HD23 LEU 15 0.933 3.553 -4.118 10 H LEU 15 HN LEU 15 4.252 5.833 -7.485 11 HB3 LEU 15 HB1 LEU 15 2.059 5.944 -5.861 No H/Q in entry = 11 In of MODEL 29 1 HA LYS 16 HA LYS 16 0.883 1.366 -7.497 2 HB2 LYS 16 HB2 LYS 16 0.464 0.824 -4.554 3 HG2 LYS 16 HG2 LYS 16 2.631 0.061 -5.429 4 HD2 LYS 16 HD2 LYS 16 0.864 -1.263 -7.449 5 HE2 LYS 16 HE2 LYS 16 2.770 -2.714 -8.051 6 HZ2 LYS 16 HZ1 LYS 16 2.314 -4.367 -6.503 7 HZ1 LYS 16 HZ2 LYS 16 0.914 -3.418 -6.476 8 HZ3 LYS 16 HZ3 LYS 16 2.058 -3.271 -5.239 9 H LYS 16 HN LYS 16 2.235 2.349 -5.209 10 HB3 LYS 16 HB1 LYS 16 -0.350 -0.055 -5.841 11 HG3 LYS 16 HG1 LYS 16 1.579 -1.273 -4.952 12 HD3 LYS 16 HD1 LYS 16 2.363 -0.364 -7.695 13 HE3 LYS 16 HE1 LYS 16 3.600 -2.190 -6.586 No H/Q in entry = 13 In of MODEL 29 1 HA PRO 17 HA PRO 17 -2.788 3.800 -7.610 2 HB2 PRO 17 HB2 PRO 17 -4.650 1.983 -8.390 3 HG2 PRO 17 HG2 PRO 17 -3.467 0.026 -7.984 4 HD2 PRO 17 HD2 PRO 17 -1.186 0.027 -7.658 5 HB3 PRO 17 HB1 PRO 17 -3.412 2.619 -9.480 6 HG3 PRO 17 HG1 PRO 17 -2.980 0.341 -9.660 7 HD3 PRO 17 HD1 PRO 17 -0.891 1.099 -9.043 No H/Q in entry = 7 In of MODEL 29 1 HA ALA 18 HA ALA 18 -4.680 3.435 -3.727 2 HB2 ALA 18 HB1 ALA 18 -6.420 4.994 -3.399 3 HB3 ALA 18 HB2 ALA 18 -6.848 4.992 -5.110 4 HB1 ALA 18 HB3 ALA 18 -5.336 5.729 -4.580 5 H ALA 18 HN ALA 18 -4.468 4.429 -6.329 No H/Q in entry = 5 In of MODEL 29 1 HA3 GLY 19 HA2 GLY 19 -8.018 0.706 -2.620 2 H GLY 19 HN GLY 19 -5.936 1.938 -2.760 3 HA2 GLY 19 HA1 GLY 19 -8.051 0.666 -4.376 No H/Q in entry = 3 In of MODEL 29 1 HA THR 20 HA THR 20 -5.368 -2.778 -4.609 2 HB THR 20 HB THR 20 -2.865 -1.085 -4.464 3 HG1 THR 20 HG1 THR 20 -4.445 -1.943 -6.652 4 HG23 THR 20 HG21 THR 20 -1.714 -2.852 -5.561 5 HG22 THR 20 HG22 THR 20 -3.194 -3.799 -5.711 6 HG21 THR 20 HG23 THR 20 -2.483 -3.519 -4.121 7 H THR 20 HN THR 20 -5.155 0.020 -4.489 No H/Q in entry = 7 In of MODEL 29 1 HA THR 21 HA THR 21 -4.916 -3.700 -0.371 2 HB THR 21 HB THR 21 -4.493 -6.310 -0.301 3 HG1 THR 21 HG1 THR 21 -4.125 -6.310 -2.636 4 HG23 THR 21 HG21 THR 21 -6.556 -5.988 0.485 5 HG22 THR 21 HG22 THR 21 -7.065 -6.461 -1.136 6 HG21 THR 21 HG23 THR 21 -6.933 -4.753 -0.716 7 H THR 21 HN THR 21 -5.199 -4.300 -3.103 No H/Q in entry = 7 In of MODEL 29 1 HA CYS 22 HA CYS 22 -0.598 -3.447 -0.044 2 HB2 CYS 22 HB2 CYS 22 -1.362 -3.958 2.835 3 H CYS 22 HN CYS 22 -3.214 -3.685 0.989 4 HB3 CYS 22 HB1 CYS 22 0.113 -3.200 2.245 No H/Q in entry = 4 In of MODEL 29 1 HA TRP 23 HA TRP 23 0.159 -7.757 1.284 2 HB2 TRP 23 HB2 TRP 23 -0.668 -7.268 3.735 3 HD1 TRP 23 HD1 TRP 23 0.500 -10.057 1.489 4 HE1 TRP 23 HE1 TRP 23 2.017 -11.653 2.822 5 HE3 TRP 23 HE3 TRP 23 -0.363 -8.256 6.196 6 HZ2 TRP 23 HZ2 TRP 23 2.750 -12.091 5.512 7 HZ3 TRP 23 HZ3 TRP 23 0.786 -9.320 8.094 8 HH2 TRP 23 HH2 TRP 23 2.309 -11.198 7.758 9 H TRP 23 HN TRP 23 -2.060 -5.975 2.002 10 HB3 TRP 23 HB1 TRP 23 -1.899 -8.463 3.340 No H/Q in entry = 10 In of MODEL 29 1 HA ARG 24 HA ARG 24 -4.965 -8.611 0.120 2 HB2 ARG 24 HB2 ARG 24 -3.388 -7.981 -1.781 3 HG2 ARG 24 HG2 ARG 24 -5.405 -10.137 -1.868 4 HD2 ARG 24 HD2 ARG 24 -3.184 -10.356 -3.526 5 HE ARG 24 HE ARG 24 -5.205 -9.640 -5.441 6 HH11 ARG 24 HH11 ARG 24 -2.432 -8.514 -3.646 7 HH12 ARG 24 HH12 ARG 24 -2.051 -7.261 -4.779 8 HH21 ARG 24 HH21 ARG 24 -4.705 -7.992 -6.932 9 HH22 ARG 24 HH22 ARG 24 -3.342 -6.964 -6.644 10 H ARG 24 HN ARG 24 -3.342 -7.471 1.232 11 HB3 ARG 24 HB1 ARG 24 -2.782 -9.629 -1.693 12 HG3 ARG 24 HG1 ARG 24 -5.343 -8.600 -2.732 13 HD3 ARG 24 HD1 ARG 24 -4.755 -11.122 -3.752 No H/Q in entry = 13 In of MODEL 29 1 HA THR 25 HA THR 25 -4.170 -12.726 1.549 2 HB THR 25 HB THR 25 -4.802 -11.967 4.340 3 HG1 THR 25 HG1 THR 25 -2.712 -11.053 4.598 4 HG22 THR 25 HG21 THR 25 -2.286 -13.147 4.172 5 HG21 THR 25 HG22 THR 25 -3.276 -13.974 2.969 6 HG23 THR 25 HG23 THR 25 -3.801 -13.911 4.651 7 H THR 25 HN THR 25 -4.977 -9.950 2.124 No H/Q in entry = 7 In of MODEL 29 1 HA SER 26 HA SER 26 -8.167 -14.247 2.127 2 HB2 SER 26 HB2 SER 26 -7.006 -16.207 3.121 3 HG SER 26 HG SER 26 -8.860 -17.121 3.652 4 H SER 26 HN SER 26 -5.604 -14.146 3.292 5 HB3 SER 26 HB1 SER 26 -7.258 -15.513 4.723 No H/Q in entry = 5 In of MODEL 29 1 HA VAL 27 HA VAL 27 -9.335 -11.129 5.244 2 HB VAL 27 HB VAL 27 -10.015 -13.145 6.473 3 H VAL 27 HN VAL 27 -6.938 -12.696 5.005 No H/Q in entry = 3 In of MODEL 29 1 HA SER 28 HA SER 28 -6.229 -8.626 6.994 2 HB2 SER 28 HB2 SER 28 -4.339 -10.506 5.625 3 HG SER 28 HG SER 28 -3.631 -10.691 7.826 4 H SER 28 HN SER 28 -6.891 -10.221 4.648 5 HB3 SER 28 HB1 SER 28 -3.720 -9.002 6.305 No H/Q in entry = 5 In of MODEL 29 1 HA SER 29 HA SER 29 -5.873 -6.712 2.729 2 HB2 SER 29 HB2 SER 29 -8.845 -6.411 3.215 3 HG SER 29 HG SER 29 -7.291 -7.945 1.419 4 H SER 29 HN SER 29 -7.605 -8.011 4.578 5 HB3 SER 29 HB1 SER 29 -7.977 -5.686 1.861 No H/Q in entry = 5 In of MODEL 29 1 HA HIS 30 HA HIS 30 -5.663 -3.057 5.152 2 HB2 HIS 30 HB2 HIS 30 -3.063 -3.742 3.914 3 HD1 HIS 30 HD1 HIS 30 -1.916 -1.850 6.433 4 HD2 HIS 30 HD2 HIS 30 -4.396 -5.183 6.503 5 HE1 HIS 30 HE1 HIS 30 -1.683 -2.813 8.745 6 HE2 HIS 30 HE2 HIS 30 -3.260 -4.778 8.791 7 H HIS 30 HN HIS 30 -4.788 -4.895 3.048 8 HB3 HIS 30 HB1 HIS 30 -3.279 -2.053 4.359 No H/Q in entry = 8 In of MODEL 29 1 HA TYR 31 HA TYR 31 -5.700 -1.888 -0.017 2 HB2 TYR 31 HB2 TYR 31 -7.339 -0.359 2.011 3 HD1 TYR 31 HD1 TYR 31 -7.982 -2.768 -0.772 4 HD2 TYR 31 HD2 TYR 31 -8.707 -1.714 3.285 5 HE1 TYR 31 HE1 TYR 31 -9.565 -4.639 -0.575 6 HE2 TYR 31 HE2 TYR 31 -10.291 -3.583 3.494 7 HH TYR 31 HH TYR 31 -11.773 -4.996 1.265 8 H TYR 31 HN TYR 31 -5.138 -3.261 1.706 9 HB3 TYR 31 HB1 TYR 31 -7.552 -0.365 0.264 No H/Q in entry = 9 In of MODEL 29 1 HA CYS 32 HA CYS 32 -2.538 1.081 0.524 2 HB2 CYS 32 HB2 CYS 32 -2.688 0.256 -2.048 3 H CYS 32 HN CYS 32 -4.340 -0.502 -0.918 4 HB3 CYS 32 HB1 CYS 32 -3.163 1.941 -2.238 No H/Q in entry = 4 In of MODEL 29 1 HA THR 33 HA THR 33 -4.807 4.705 1.171 2 HB THR 33 HB THR 33 -2.838 5.109 2.552 3 HG1 THR 33 HG1 THR 33 -3.538 7.444 1.106 4 HG21 THR 33 HG21 THR 33 -1.632 6.381 0.109 5 HG23 THR 33 HG22 THR 33 -1.063 4.925 0.925 6 HG22 THR 33 HG23 THR 33 -0.983 6.484 1.745 7 H THR 33 HN THR 33 -2.311 3.419 0.510 No H/Q in entry = 7 In of MODEL 29 1 HA3 GLY 34 HA2 GLY 34 -2.837 5.627 -3.564 2 H GLY 34 HN GLY 34 -2.318 5.014 -1.325 3 HA2 GLY 34 HA1 GLY 34 -4.267 6.461 -2.975 No H/Q in entry = 3 In of MODEL 29 1 HA ARG 35 HA ARG 35 -0.340 9.143 -3.129 2 HB2 ARG 35 HB2 ARG 35 -0.517 10.726 -1.290 3 HG2 ARG 35 HG2 ARG 35 -1.553 8.373 0.243 4 HD2 ARG 35 HD2 ARG 35 -3.238 10.176 0.370 5 HE ARG 35 HE ARG 35 -2.339 12.280 0.374 6 HH11 ARG 35 HH11 ARG 35 -0.669 10.334 2.741 7 HH12 ARG 35 HH12 ARG 35 0.212 11.670 3.402 8 HH21 ARG 35 HH21 ARG 35 -1.180 14.038 1.242 9 HH22 ARG 35 HH22 ARG 35 -0.078 13.773 2.551 10 H ARG 35 HN ARG 35 -0.946 6.732 -1.783 11 HB3 ARG 35 HB1 ARG 35 -2.093 10.033 -1.648 12 HG3 ARG 35 HG1 ARG 35 -0.309 9.538 0.701 13 HD3 ARG 35 HD1 ARG 35 -2.445 9.859 1.912 No H/Q in entry = 13 In of MODEL 29 1 HA SER 36 HA SER 36 3.045 7.482 -0.611 2 HB2 SER 36 HB2 SER 36 2.471 8.984 1.223 3 HG SER 36 HG SER 36 4.388 7.882 1.546 4 H SER 36 HN SER 36 0.147 7.229 -0.207 5 HB3 SER 36 HB1 SER 36 1.607 7.686 2.046 No H/Q in entry = 5 In of MODEL 29 1 HA CYS 37 HA CYS 37 3.152 3.216 -0.023 2 HB2 CYS 37 HB2 CYS 37 5.732 4.272 0.455 3 H CYS 37 HN CYS 37 4.272 5.768 0.581 4 HB3 CYS 37 HB1 CYS 37 5.483 2.999 1.645 No H/Q in entry = 4 In of MODEL 29 1 HA GLU 38 HA GLU 38 3.158 3.148 4.811 2 HB2 GLU 38 HB2 GLU 38 2.198 6.015 4.892 3 HG2 GLU 38 HG2 GLU 38 4.692 5.586 4.469 4 H GLU 38 HN GLU 38 3.487 5.133 2.869 5 HB3 GLU 38 HB1 GLU 38 2.396 4.960 6.285 6 HG3 GLU 38 HG1 GLU 38 4.229 6.672 5.779 No H/Q in entry = 6 In of MODEL 29 1 HA CYS 39 HA CYS 39 -0.962 2.159 3.361 2 HB2 CYS 39 HB2 CYS 39 0.266 -0.139 4.850 3 H CYS 39 HN CYS 39 1.608 1.640 4.339 4 HB3 CYS 39 HB1 CYS 39 -1.461 -0.128 4.512 No H/Q in entry = 4 In of MODEL 29 1 HA PRO 40 HA PRO 40 -3.348 3.885 6.629 2 HB2 PRO 40 HB2 PRO 40 -5.318 1.716 6.081 3 HG2 PRO 40 HG2 PRO 40 -5.493 2.208 3.812 4 HD2 PRO 40 HD2 PRO 40 -3.460 1.117 3.836 5 HB3 PRO 40 HB1 PRO 40 -5.562 3.465 6.156 6 HG3 PRO 40 HG1 PRO 40 -4.746 3.805 4.011 7 HD3 PRO 40 HD1 PRO 40 -2.895 2.683 3.219 No H/Q in entry = 7 In of MODEL 29 1 HA SER 41 HA SER 41 -3.216 0.935 9.894 2 HB2 SER 41 HB2 SER 41 -4.297 3.527 10.956 3 HG SER 41 HG SER 41 -2.064 3.277 10.354 4 H SER 41 HN SER 41 -4.662 3.159 8.619 5 HB3 SER 41 HB1 SER 41 -4.055 2.159 12.041 No H/Q in entry = 5 In of MODEL 29 1 HA TYR 42 HA TYR 42 -7.653 0.079 10.653 2 HB2 TYR 42 HB2 TYR 42 -8.824 2.593 9.445 3 HD1 TYR 42 HD1 TYR 42 -6.768 3.594 10.771 4 HD2 TYR 42 HD2 TYR 42 -10.118 1.695 12.580 5 HE1 TYR 42 HE1 TYR 42 -6.279 4.755 12.883 6 HE2 TYR 42 HE2 TYR 42 -9.639 2.852 14.696 7 HH TYR 42 HH TYR 42 -7.486 5.451 14.925 8 H TYR 42 HN TYR 42 -6.354 2.247 9.158 9 HB3 TYR 42 HB1 TYR 42 -9.739 1.372 10.323 No H/Q in entry = 9 In of MODEL 29 1 HA PRO 43 HA PRO 43 -7.834 -1.556 6.365 2 HB2 PRO 43 HB2 PRO 43 -7.988 -4.162 7.124 3 HG2 PRO 43 HG2 PRO 43 -8.066 -3.879 9.428 4 HD2 PRO 43 HD2 PRO 43 -7.473 -1.890 10.434 5 HB3 PRO 43 HB1 PRO 43 -6.457 -3.291 6.972 6 HG3 PRO 43 HG1 PRO 43 -6.313 -3.988 9.187 7 HD3 PRO 43 HD1 PRO 43 -6.009 -1.715 9.445 No H/Q in entry = 7 In of MODEL 29 1 HA3 GLY 44 HA2 GLY 44 -12.241 -1.887 7.670 2 H GLY 44 HN GLY 44 -9.842 -2.138 9.179 3 HA2 GLY 44 HA1 GLY 44 -11.943 -3.569 8.081 No H/Q in entry = 3 In of MODEL 29 1 HA ASN 45 HA ASN 45 -13.481 0.345 11.327 2 HB2 ASN 45 HB2 ASN 45 -15.028 -1.714 10.563 3 HD21 ASN 45 HD21 ASN 45 -16.444 -0.024 10.566 4 HD22 ASN 45 HD22 ASN 45 -17.178 0.596 12.002 5 H ASN 45 HN ASN 45 -12.568 -0.365 9.370 6 HB3 ASN 45 HB1 ASN 45 -14.433 -2.364 12.088 No H/Q in entry = 6 In of MODEL 29 1 HA3 GLY 46 HA2 GLY 46 -10.161 -2.276 13.526 2 H GLY 46 HN GLY 46 -10.756 -0.699 11.287 3 HA2 GLY 46 HA1 GLY 46 -9.058 -1.138 12.767 No H/Q in entry = 3 In of MODEL 30 1 H1 ALA 1 HT3 ALA 1 15.623 9.656 -7.014 2 H2 ALA 1 HT2 ALA 1 16.650 10.573 -8.038 3 H3 ALA 1 HT1 ALA 1 16.981 8.914 -7.750 4 HA ALA 1 HA ALA 1 17.708 9.260 -5.659 5 HB3 ALA 1 HB1 ALA 1 19.059 11.521 -5.872 6 HB1 ALA 1 HB2 ALA 1 18.514 11.409 -7.545 7 HB2 ALA 1 HB3 ALA 1 19.468 10.104 -6.839 No H/Q in entry = 7 In of MODEL 30 1 HA MET 2 HA MET 2 16.134 13.445 -4.044 2 HB2 MET 2 HB2 MET 2 16.166 14.774 -6.200 3 H MET 2 HN MET 2 16.484 12.467 -6.644 4 HG2 MET 2 HG2 MET 2 14.222 15.243 -4.008 5 HE3 MET 2 HE1 MET 2 13.672 18.144 -3.814 6 HB3 MET 2 HB1 MET 2 14.501 14.265 -6.445 7 HE2 MET 2 HE2 MET 2 13.383 19.080 -5.281 8 HE1 MET 2 HE3 MET 2 15.018 18.554 -4.877 9 HG3 MET 2 HG1 MET 2 15.635 16.181 -4.488 No H/Q in entry = 9 In of MODEL 30 1 HA ASP 3 HA ASP 3 12.393 10.854 -3.827 2 HB2 ASP 3 HB2 ASP 3 11.393 12.517 -6.116 3 H ASP 3 HN ASP 3 14.072 11.493 -6.081 4 HB3 ASP 3 HB1 ASP 3 10.302 11.408 -5.289 No H/Q in entry = 4 In of MODEL 30 1 HA CYS 4 HA CYS 4 10.755 7.788 -6.788 2 HB2 CYS 4 HB2 CYS 4 13.126 7.320 -6.372 3 H CYS 4 HN CYS 4 10.849 9.125 -4.330 4 HB3 CYS 4 HB1 CYS 4 12.719 6.603 -4.817 No H/Q in entry = 4 In of MODEL 30 1 HA THR 5 HA THR 5 9.279 6.431 -1.852 2 HB THR 5 HB THR 5 7.216 6.159 -3.995 3 HG1 THR 5 HG1 THR 5 7.966 8.646 -2.861 4 HG21 THR 5 HG21 THR 5 7.151 6.049 -1.233 5 HG23 THR 5 HG22 THR 5 5.770 6.191 -2.321 6 HG22 THR 5 HG23 THR 5 6.498 7.639 -1.626 7 H THR 5 HN THR 5 10.726 7.446 -3.284 No H/Q in entry = 7 In of MODEL 30 1 HA THR 6 HA THR 6 9.256 2.230 -3.122 2 HB THR 6 HB THR 6 11.664 2.104 -1.336 3 HG1 THR 6 HG1 THR 6 11.659 3.077 -3.998 4 HG21 THR 6 HG21 THR 6 10.894 0.735 -3.897 5 HG23 THR 6 HG22 THR 6 11.082 0.013 -2.299 6 HG22 THR 6 HG23 THR 6 12.493 0.626 -3.162 7 H THR 6 HN THR 6 9.993 4.456 -1.339 No H/Q in entry = 7 In of MODEL 30 1 HA3 GLY 7 HA2 GLY 7 8.704 -0.609 0.382 2 H GLY 7 HN GLY 7 8.630 0.285 -2.134 3 HA2 GLY 7 HA1 GLY 7 7.490 0.654 0.517 No H/Q in entry = 3 In of MODEL 30 1 HA PRO 8 HA PRO 8 5.258 -3.241 -0.594 2 HB2 PRO 8 HB2 PRO 8 3.115 -2.768 1.004 3 HG2 PRO 8 HG2 PRO 8 3.716 -0.688 1.843 4 HD2 PRO 8 HD2 PRO 8 5.870 0.115 1.679 5 HB3 PRO 8 HB1 PRO 8 4.595 -3.539 1.587 6 HG3 PRO 8 HG1 PRO 8 4.464 -1.742 3.058 7 HD3 PRO 8 HD1 PRO 8 6.586 -1.418 2.217 No H/Q in entry = 7 In of MODEL 30 1 HA CYS 9 HA CYS 9 2.072 -0.403 -2.328 2 HB2 CYS 9 HB2 CYS 9 2.541 1.682 -0.262 3 H CYS 9 HN CYS 9 4.158 0.097 -0.334 4 HB3 CYS 9 HB1 CYS 9 1.712 2.184 -1.731 No H/Q in entry = 4 In of MODEL 30 1 HA CYS 10 HA CYS 10 4.817 1.709 -5.050 2 HB2 CYS 10 HB2 CYS 10 7.249 0.995 -3.398 3 H CYS 10 HN CYS 10 4.899 -0.412 -3.025 4 HB3 CYS 10 HB1 CYS 10 7.230 2.122 -4.750 No H/Q in entry = 4 In of MODEL 30 1 HA ARG 11 HA ARG 11 6.075 -1.870 -7.269 2 HB2 ARG 11 HB2 ARG 11 3.994 -0.355 -8.802 3 HG2 ARG 11 HG2 ARG 11 3.976 -3.288 -8.279 4 HD2 ARG 11 HD2 ARG 11 1.806 -1.195 -8.298 5 HE ARG 11 HE ARG 11 1.608 -3.726 -7.331 6 HH11 ARG 11 HH11 ARG 11 0.244 -2.067 -10.081 7 HH12 ARG 11 HH12 ARG 11 -1.204 -3.016 -10.094 8 HH21 ARG 11 HH21 ARG 11 -0.296 -4.976 -7.346 9 HH22 ARG 11 HH22 ARG 11 -1.511 -4.667 -8.541 10 H ARG 11 HN ARG 11 4.820 0.757 -6.967 11 HB3 ARG 11 HB1 ARG 11 4.894 -1.638 -9.598 12 HG3 ARG 11 HG1 ARG 11 3.581 -2.169 -6.973 13 HD3 ARG 11 HD1 ARG 11 2.241 -2.208 -9.674 No H/Q in entry = 13 In of MODEL 30 1 HA GLN 12 HA GLN 12 10.186 -0.437 -8.263 2 HB2 GLN 12 HB2 GLN 12 8.983 -1.890 -10.108 3 HG2 GLN 12 HG2 GLN 12 11.212 -0.108 -11.034 4 HE21 GLN 12 HE21 GLN 12 12.864 -1.566 -12.124 5 HE22 GLN 12 HE22 GLN 12 12.233 -2.755 -13.206 6 H GLN 12 HN GLN 12 8.244 -1.069 -7.266 7 HB3 GLN 12 HB1 GLN 12 8.866 -0.348 -10.943 8 HG3 GLN 12 HG1 GLN 12 11.462 -1.427 -9.892 No H/Q in entry = 8 In of MODEL 30 1 HA CYS 13 HA CYS 13 9.639 3.911 -7.070 2 HB2 CYS 13 HB2 CYS 13 11.398 3.273 -8.990 3 H CYS 13 HN CYS 13 9.631 1.638 -7.131 4 HB3 CYS 13 HB1 CYS 13 10.237 4.161 -9.971 No H/Q in entry = 4 In of MODEL 30 1 HA LYS 14 HA LYS 14 5.737 4.826 -8.817 2 HB2 LYS 14 HB2 LYS 14 5.325 1.983 -9.761 3 HG2 LYS 14 HG2 LYS 14 6.286 4.345 -11.358 4 HD2 LYS 14 HD2 LYS 14 6.350 1.441 -12.116 5 HE2 LYS 14 HE2 LYS 14 6.101 3.781 -13.957 6 HZ3 LYS 14 HZ1 LYS 14 7.821 1.507 -14.509 7 HZ2 LYS 14 HZ2 LYS 14 6.749 2.327 -15.528 8 HZ1 LYS 14 HZ3 LYS 14 6.163 1.173 -14.440 9 H LYS 14 HN LYS 14 7.173 2.585 -7.636 10 HB3 LYS 14 HB1 LYS 14 4.381 3.381 -10.259 11 HG3 LYS 14 HG1 LYS 14 7.336 3.068 -10.741 12 HD3 LYS 14 HD1 LYS 14 4.946 2.456 -12.453 13 HE3 LYS 14 HE1 LYS 14 7.671 3.366 -13.271 No H/Q in entry = 13 In of MODEL 30 1 HA LEU 15 HA LEU 15 3.680 3.561 -5.079 2 HB2 LEU 15 HB2 LEU 15 3.989 6.225 -5.147 3 HG LEU 15 HG LEU 15 3.383 4.621 -3.140 4 HD13 LEU 15 HD11 LEU 15 3.716 6.412 -1.802 5 HD12 LEU 15 HD12 LEU 15 2.507 7.395 -2.628 6 HD11 LEU 15 HD13 LEU 15 4.109 7.188 -3.335 7 HD23 LEU 15 HD21 LEU 15 1.084 5.695 -2.311 8 HD22 LEU 15 HD22 LEU 15 1.160 4.185 -3.218 9 HD21 LEU 15 HD23 LEU 15 0.779 5.694 -4.048 10 H LEU 15 HN LEU 15 4.652 5.364 -7.005 11 HB3 LEU 15 HB1 LEU 15 2.265 6.140 -5.455 No H/Q in entry = 11 In of MODEL 30 1 HA LYS 16 HA LYS 16 0.062 2.219 -7.055 2 HB2 LYS 16 HB2 LYS 16 0.159 1.166 -4.276 3 HG2 LYS 16 HG2 LYS 16 -0.476 -0.931 -5.791 4 HD2 LYS 16 HD2 LYS 16 2.181 -0.865 -6.297 5 HE2 LYS 16 HE2 LYS 16 2.481 -1.793 -4.006 6 HZ1 LYS 16 HZ1 LYS 16 0.433 -2.713 -5.865 7 HZ3 LYS 16 HZ2 LYS 16 0.449 -3.436 -4.336 8 HZ2 LYS 16 HZ3 LYS 16 1.828 -3.498 -5.314 9 H LYS 16 HN LYS 16 1.662 2.688 -4.710 10 HB3 LYS 16 HB1 LYS 16 -1.369 1.029 -5.135 11 HG3 LYS 16 HG1 LYS 16 0.272 0.086 -7.024 12 HD3 LYS 16 HD1 LYS 16 2.063 0.339 -5.012 13 HE3 LYS 16 HE1 LYS 16 0.817 -1.331 -3.650 No H/Q in entry = 13 In of MODEL 30 1 HA PRO 17 HA PRO 17 -3.061 5.300 -6.745 2 HB2 PRO 17 HB2 PRO 17 -5.028 3.063 -6.875 3 HG2 PRO 17 HG2 PRO 17 -4.142 2.167 -8.833 4 HD2 PRO 17 HD2 PRO 17 -2.573 1.437 -7.308 5 HB3 PRO 17 HB1 PRO 17 -4.917 4.522 -7.866 6 HG3 PRO 17 HG1 PRO 17 -3.235 3.646 -9.203 7 HD3 PRO 17 HD1 PRO 17 -1.495 2.417 -8.323 No H/Q in entry = 7 In of MODEL 30 1 HA ALA 18 HA ALA 18 -4.114 5.386 -2.538 2 HB3 ALA 18 HB1 ALA 18 -5.997 7.437 -3.698 3 HB1 ALA 18 HB2 ALA 18 -4.349 7.745 -3.149 4 HB2 ALA 18 HB3 ALA 18 -5.586 7.249 -1.994 5 H ALA 18 HN ALA 18 -4.259 6.285 -5.183 No H/Q in entry = 5 In of MODEL 30 1 HA3 GLY 19 HA2 GLY 19 -7.316 3.024 -0.647 2 H GLY 19 HN GLY 19 -5.294 3.986 -1.407 3 HA2 GLY 19 HA1 GLY 19 -8.087 3.518 -2.147 No H/Q in entry = 3 In of MODEL 30 1 HA THR 20 HA THR 20 -6.284 -0.424 -3.393 2 HB THR 20 HB THR 20 -3.387 0.441 -3.501 3 HG1 THR 20 HG1 THR 20 -5.504 0.776 -5.354 4 HG23 THR 20 HG21 THR 20 -3.044 -1.616 -4.269 5 HG22 THR 20 HG22 THR 20 -3.883 -1.071 -5.721 6 HG21 THR 20 HG23 THR 20 -4.768 -1.932 -4.462 7 H THR 20 HN THR 20 -5.001 1.894 -2.121 No H/Q in entry = 7 In of MODEL 30 1 HA THR 21 HA THR 21 -5.377 -2.919 0.008 2 HB THR 21 HB THR 21 -4.947 -5.375 -0.895 3 HG1 THR 21 HG1 THR 21 -5.844 -5.662 -2.929 4 HG21 THR 21 HG21 THR 21 -7.525 -3.866 -0.882 5 HG23 THR 21 HG22 THR 21 -6.933 -5.080 0.252 6 HG22 THR 21 HG23 THR 21 -7.465 -5.563 -1.358 7 H THR 21 HN THR 21 -5.843 -2.507 -2.723 No H/Q in entry = 7 In of MODEL 30 1 HA CYS 22 HA CYS 22 -1.008 -2.624 -0.110 2 HB2 CYS 22 HB2 CYS 22 -1.534 -3.229 2.801 3 H CYS 22 HN CYS 22 -3.555 -2.857 1.129 4 HB3 CYS 22 HB1 CYS 22 -0.120 -2.444 2.106 No H/Q in entry = 4 In of MODEL 30 1 HA TRP 23 HA TRP 23 -0.646 -7.097 0.621 2 HB2 TRP 23 HB2 TRP 23 -0.118 -6.382 3.094 3 HD1 TRP 23 HD1 TRP 23 1.376 -7.988 0.868 4 HE1 TRP 23 HE1 TRP 23 2.586 -10.188 1.432 5 HE3 TRP 23 HE3 TRP 23 -1.110 -9.204 5.167 6 HZ2 TRP 23 HZ2 TRP 23 2.498 -12.177 3.434 7 HZ3 TRP 23 HZ3 TRP 23 -0.486 -11.272 6.345 8 HH2 TRP 23 HH2 TRP 23 1.281 -12.727 5.495 9 H TRP 23 HN TRP 23 -2.460 -5.175 1.911 10 HB3 TRP 23 HB1 TRP 23 -1.443 -7.475 3.483 No H/Q in entry = 10 In of MODEL 30 1 HA ARG 24 HA ARG 24 -4.723 -8.827 0.307 2 HB2 ARG 24 HB2 ARG 24 -4.010 -7.914 -2.110 3 HG2 ARG 24 HG2 ARG 24 -6.130 -10.028 -1.805 4 HD2 ARG 24 HD2 ARG 24 -6.352 -7.610 -3.526 5 HE ARG 24 HE ARG 24 -7.717 -10.127 -3.338 6 HH11 ARG 24 HH11 ARG 24 -6.950 -7.452 -5.444 7 HH12 ARG 24 HH12 ARG 24 -8.324 -7.701 -6.467 8 HH21 ARG 24 HH21 ARG 24 -9.525 -10.457 -4.683 9 HH22 ARG 24 HH22 ARG 24 -9.786 -9.406 -6.036 10 H ARG 24 HN ARG 24 -2.129 -8.017 -0.718 11 HB3 ARG 24 HB1 ARG 24 -3.831 -9.638 -2.408 12 HG3 ARG 24 HG1 ARG 24 -6.330 -8.335 -1.350 13 HD3 ARG 24 HD1 ARG 24 -5.391 -8.971 -4.102 No H/Q in entry = 13 In of MODEL 30 1 HA THR 25 HA THR 25 -3.697 -13.117 0.099 2 HB THR 25 HB THR 25 -3.449 -13.874 2.508 3 HG1 THR 25 HG1 THR 25 -3.930 -11.123 2.998 4 HG23 THR 25 HG21 THR 25 -1.348 -13.105 2.617 5 HG22 THR 25 HG22 THR 25 -1.833 -11.427 2.376 6 HG21 THR 25 HG23 THR 25 -1.695 -12.512 0.993 7 H THR 25 HN THR 25 -5.249 -10.819 0.955 No H/Q in entry = 7 In of MODEL 30 1 HA SER 26 HA SER 26 -8.195 -13.536 1.717 2 HB2 SER 26 HB2 SER 26 -7.000 -15.668 1.430 3 HG SER 26 HG SER 26 -8.795 -16.072 3.560 4 H SER 26 HN SER 26 -5.813 -12.659 2.895 5 HB3 SER 26 HB1 SER 26 -6.677 -15.720 3.163 No H/Q in entry = 5 In of MODEL 30 1 HA VAL 27 HA VAL 27 -8.527 -13.342 6.352 2 HB VAL 27 HB VAL 27 -6.598 -14.670 7.090 3 H VAL 27 HN VAL 27 -6.206 -13.551 4.622 No H/Q in entry = 3 In of MODEL 30 1 HA SER 28 HA SER 28 -7.448 -8.957 6.095 2 HB2 SER 28 HB2 SER 28 -4.538 -9.614 6.389 3 HG SER 28 HG SER 28 -4.920 -8.975 8.452 4 H SER 28 HN SER 28 -6.044 -11.287 4.999 5 HB3 SER 28 HB1 SER 28 -5.041 -7.928 6.278 No H/Q in entry = 5 In of MODEL 30 1 HA SER 29 HA SER 29 -5.423 -7.237 2.353 2 HB2 SER 29 HB2 SER 29 -8.030 -5.833 2.284 3 HG SER 29 HG SER 29 -9.237 -7.624 2.377 4 H SER 29 HN SER 29 -6.415 -6.890 5.015 5 HB3 SER 29 HB1 SER 29 -7.281 -6.883 1.081 No H/Q in entry = 5 In of MODEL 30 1 HA HIS 30 HA HIS 30 -6.701 -2.908 5.203 2 HB2 HIS 30 HB2 HIS 30 -4.011 -3.869 4.365 3 HD1 HIS 30 HD1 HIS 30 -2.431 -2.624 6.573 4 HD2 HIS 30 HD2 HIS 30 -6.295 -4.046 7.131 5 HE1 HIS 30 HE1 HIS 30 -2.632 -3.074 9.039 6 HE2 HIS 30 HE2 HIS 30 -4.950 -4.015 9.339 7 H HIS 30 HN HIS 30 -7.074 -5.071 4.604 8 HB3 HIS 30 HB1 HIS 30 -4.221 -2.135 4.584 No H/Q in entry = 8 In of MODEL 30 1 HA TYR 31 HA TYR 31 -6.080 -0.619 1.324 2 HB2 TYR 31 HB2 TYR 31 -7.699 0.935 3.346 3 HD1 TYR 31 HD1 TYR 31 -7.857 -1.041 0.174 4 HD2 TYR 31 HD2 TYR 31 -9.760 0.025 3.827 5 HE1 TYR 31 HE1 TYR 31 -9.694 -2.595 -0.336 6 HE2 TYR 31 HE2 TYR 31 -11.601 -1.526 3.327 7 HH TYR 31 HH TYR 31 -11.427 -3.863 0.888 8 H TYR 31 HN TYR 31 -5.621 -0.740 4.198 9 HB3 TYR 31 HB1 TYR 31 -7.602 1.376 1.644 No H/Q in entry = 9 In of MODEL 30 1 HA CYS 32 HA CYS 32 -2.620 1.976 2.017 2 HB2 CYS 32 HB2 CYS 32 -2.418 0.811 -0.355 3 H CYS 32 HN CYS 32 -4.466 0.497 0.471 4 HB3 CYS 32 HB1 CYS 32 -2.833 2.423 -0.928 No H/Q in entry = 4 In of MODEL 30 1 HA THR 33 HA THR 33 -4.420 5.919 1.507 2 HB THR 33 HB THR 33 -2.926 6.287 3.352 3 HG1 THR 33 HG1 THR 33 -2.573 8.412 1.511 4 HG21 THR 33 HG21 THR 33 -0.794 6.704 1.280 5 HG23 THR 33 HG22 THR 33 -0.825 5.521 2.588 6 HG22 THR 33 HG23 THR 33 -0.643 7.237 2.954 7 H THR 33 HN THR 33 -1.994 4.278 1.393 No H/Q in entry = 7 In of MODEL 30 1 HA3 GLY 34 HA2 GLY 34 -1.264 5.932 -2.621 2 H GLY 34 HN GLY 34 -1.430 5.488 -0.298 3 HA2 GLY 34 HA1 GLY 34 -2.594 7.070 -2.472 No H/Q in entry = 3 In of MODEL 30 1 HA ARG 35 HA ARG 35 0.174 10.294 -1.480 2 HB2 ARG 35 HB2 ARG 35 -0.567 9.909 1.414 3 HG2 ARG 35 HG2 ARG 35 -2.247 10.790 -0.281 4 HD2 ARG 35 HD2 ARG 35 -0.432 12.281 -1.343 5 HE ARG 35 HE ARG 35 0.359 13.852 0.108 6 HH11 ARG 35 HH11 ARG 35 -3.086 13.550 0.580 7 HH12 ARG 35 HH12 ARG 35 -3.175 14.874 1.693 8 HH21 ARG 35 HH21 ARG 35 0.243 15.593 1.571 9 HH22 ARG 35 HH22 ARG 35 -1.286 16.034 2.255 10 H ARG 35 HN ARG 35 -1.369 8.334 -0.090 11 HB3 ARG 35 HB1 ARG 35 0.483 11.218 0.890 12 HG3 ARG 35 HG1 ARG 35 -1.976 11.756 1.171 13 HD3 ARG 35 HD1 ARG 35 -2.050 12.943 -1.121 No H/Q in entry = 13 In of MODEL 30 1 HA SER 36 HA SER 36 3.724 7.861 -0.062 2 HB2 SER 36 HB2 SER 36 4.400 7.458 2.294 3 HG SER 36 HG SER 36 2.959 7.191 3.812 4 H SER 36 HN SER 36 0.898 7.582 0.611 5 HB3 SER 36 HB1 SER 36 3.555 8.992 2.089 No H/Q in entry = 5 In of MODEL 30 1 HA CYS 37 HA CYS 37 3.599 3.562 -0.302 2 HB2 CYS 37 HB2 CYS 37 6.214 4.333 -0.253 3 H CYS 37 HN CYS 37 4.971 5.883 0.627 4 HB3 CYS 37 HB1 CYS 37 6.183 3.162 1.061 No H/Q in entry = 4 In of MODEL 30 1 HA GLU 38 HA GLU 38 4.174 2.515 4.376 2 HB2 GLU 38 HB2 GLU 38 3.553 5.377 5.128 3 HG2 GLU 38 HG2 GLU 38 5.992 4.037 6.095 4 H GLU 38 HN GLU 38 4.438 4.838 2.835 5 HB3 GLU 38 HB1 GLU 38 3.742 4.051 6.267 6 HG3 GLU 38 HG1 GLU 38 5.976 4.495 4.393 No H/Q in entry = 6 In of MODEL 30 1 HA CYS 39 HA CYS 39 -0.179 2.165 3.935 2 HB2 CYS 39 HB2 CYS 39 0.552 -0.038 3.156 3 H CYS 39 HN CYS 39 2.478 1.233 4.615 4 HB3 CYS 39 HB1 CYS 39 0.799 -0.558 4.819 No H/Q in entry = 4 In of MODEL 30 1 HA PRO 40 HA PRO 40 -1.467 3.304 8.020 2 HB2 PRO 40 HB2 PRO 40 -4.044 2.053 7.189 3 HG2 PRO 40 HG2 PRO 40 -4.264 3.368 5.280 4 HD2 PRO 40 HD2 PRO 40 -2.667 1.868 4.560 5 HB3 PRO 40 HB1 PRO 40 -3.738 3.655 7.872 6 HG3 PRO 40 HG1 PRO 40 -3.052 4.537 5.838 7 HD3 PRO 40 HD1 PRO 40 -1.709 3.352 4.388 No H/Q in entry = 7 In of MODEL 30 1 HA SER 41 HA SER 41 -1.538 -0.598 10.012 2 HB2 SER 41 HB2 SER 41 0.271 1.064 11.094 3 HG SER 41 HG SER 41 0.830 -0.965 11.352 4 H SER 41 HN SER 41 -1.530 2.333 9.981 5 HB3 SER 41 HB1 SER 41 -0.842 0.943 12.458 No H/Q in entry = 5 In of MODEL 30 1 HA TYR 42 HA TYR 42 -5.284 0.019 12.293 2 HB2 TYR 42 HB2 TYR 42 -5.193 2.599 11.248 3 HD1 TYR 42 HD1 TYR 42 -4.527 2.003 13.785 4 HD2 TYR 42 HD2 TYR 42 -8.495 2.417 12.306 5 HE1 TYR 42 HE1 TYR 42 -5.320 2.483 16.063 6 HE2 TYR 42 HE2 TYR 42 -9.298 2.898 14.580 7 HH TYR 42 HH TYR 42 -8.631 2.526 16.886 8 H TYR 42 HN TYR 42 -4.014 0.790 9.751 9 HB3 TYR 42 HB1 TYR 42 -6.794 2.015 10.807 No H/Q in entry = 9 In of MODEL 30 1 HA PRO 43 HA PRO 43 -7.805 -2.637 9.825 2 HB2 PRO 43 HB2 PRO 43 -10.008 -2.833 11.394 3 HG2 PRO 43 HG2 PRO 43 -9.615 -1.054 12.833 4 HD2 PRO 43 HD2 PRO 43 -7.541 -0.066 13.007 5 HB3 PRO 43 HB1 PRO 43 -8.477 -3.620 11.792 6 HG3 PRO 43 HG1 PRO 43 -8.799 -2.357 13.718 7 HD3 PRO 43 HD1 PRO 43 -6.700 -1.626 13.112 No H/Q in entry = 7 In of MODEL 30 1 HA3 GLY 44 HA2 GLY 44 -11.362 -0.194 8.558 2 H GLY 44 HN GLY 44 -10.022 -2.786 8.845 3 HA2 GLY 44 HA1 GLY 44 -10.725 -0.957 7.109 No H/Q in entry = 3 In of MODEL 30 1 HA ASN 45 HA ASN 45 -15.011 -2.450 8.412 2 HB2 ASN 45 HB2 ASN 45 -15.658 -0.440 6.243 3 HD21 ASN 45 HD21 ASN 45 -17.283 -1.003 9.266 4 HD22 ASN 45 HD22 ASN 45 -16.903 0.522 9.983 5 H ASN 45 HN ASN 45 -13.440 -0.315 7.498 6 HB3 ASN 45 HB1 ASN 45 -16.827 -1.442 7.099 No H/Q in entry = 6 In of MODEL 30 1 HA3 GLY 46 HA2 GLY 46 -16.161 -5.751 5.686 2 H GLY 46 HN GLY 46 -15.572 -4.361 7.558 3 HA2 GLY 46 HA1 GLY 46 -15.033 -4.832 4.701 No H/Q in entry = 3 In of MODEL 31 1 H1 ALA 1 HT2 ALA 1 14.983 14.059 -8.433 2 H2 ALA 1 HT1 ALA 1 16.372 14.559 -7.557 3 H3 ALA 1 HT3 ALA 1 15.764 15.535 -8.829 4 HA ALA 1 HA ALA 1 16.430 14.088 -10.446 5 HB2 ALA 1 HB1 ALA 1 18.862 13.563 -9.728 6 HB3 ALA 1 HB2 ALA 1 18.437 14.434 -8.255 7 HB1 ALA 1 HB3 ALA 1 18.336 15.243 -9.819 No H/Q in entry = 7 In of MODEL 31 1 HA MET 2 HA MET 2 16.253 9.987 -8.421 2 HB2 MET 2 HB2 MET 2 19.065 10.571 -7.642 3 H MET 2 HN MET 2 17.256 12.515 -7.349 4 HG2 MET 2 HG2 MET 2 18.153 8.327 -9.379 5 HE2 MET 2 HE1 MET 2 20.314 8.641 -11.956 6 HB3 MET 2 HB1 MET 2 18.407 9.005 -7.188 7 HE1 MET 2 HE2 MET 2 19.469 7.434 -10.986 8 HE3 MET 2 HE3 MET 2 21.232 7.457 -11.025 9 HG3 MET 2 HG1 MET 2 18.143 9.978 -9.997 No H/Q in entry = 9 In of MODEL 31 1 HA ASP 3 HA ASP 3 14.772 9.133 -4.475 2 HB2 ASP 3 HB2 ASP 3 16.040 11.152 -3.815 3 H ASP 3 HN ASP 3 14.529 10.486 -6.922 4 HB3 ASP 3 HB1 ASP 3 14.638 12.145 -4.203 No H/Q in entry = 4 In of MODEL 31 1 HA CYS 4 HA CYS 4 10.454 9.973 -4.178 2 HB2 CYS 4 HB2 CYS 4 9.335 8.443 -5.901 3 H CYS 4 HN CYS 4 12.812 8.365 -4.059 4 HB3 CYS 4 HB1 CYS 4 10.465 9.646 -6.512 No H/Q in entry = 4 In of MODEL 31 1 HA THR 5 HA THR 5 8.825 7.032 -1.502 2 HB THR 5 HB THR 5 6.422 6.223 -2.075 3 HG1 THR 5 HG1 THR 5 5.425 7.589 -3.629 4 HG23 THR 5 HG21 THR 5 5.945 7.829 -0.639 5 HG22 THR 5 HG22 THR 5 5.880 8.960 -1.991 6 HG21 THR 5 HG23 THR 5 7.386 8.736 -1.100 7 H THR 5 HN THR 5 8.453 8.554 -3.820 No H/Q in entry = 7 In of MODEL 31 1 HA THR 6 HA THR 6 9.181 3.081 -3.392 2 HB THR 6 HB THR 6 11.650 3.037 -1.691 3 HG1 THR 6 HG1 THR 6 11.391 4.457 -4.129 4 HG23 THR 6 HG21 THR 6 12.226 1.351 -2.988 5 HG22 THR 6 HG22 THR 6 12.083 2.377 -4.416 6 HG21 THR 6 HG23 THR 6 10.683 1.477 -3.832 7 H THR 6 HN THR 6 9.584 5.048 -1.239 No H/Q in entry = 7 In of MODEL 31 1 HA3 GLY 7 HA2 GLY 7 9.212 -0.485 -0.568 2 H GLY 7 HN GLY 7 8.917 0.920 -2.747 3 HA2 GLY 7 HA1 GLY 7 8.012 0.651 0.032 No H/Q in entry = 3 In of MODEL 31 1 HA PRO 8 HA PRO 8 5.898 -3.220 -1.629 2 HB2 PRO 8 HB2 PRO 8 4.120 -2.375 0.606 3 HG2 PRO 8 HG2 PRO 8 5.706 -2.773 2.263 4 HD2 PRO 8 HD2 PRO 8 6.499 -0.784 1.400 5 HB3 PRO 8 HB1 PRO 8 4.655 -3.995 0.145 6 HG3 PRO 8 HG1 PRO 8 6.716 -3.754 1.184 7 HD3 PRO 8 HD1 PRO 8 7.921 -1.791 1.064 No H/Q in entry = 7 In of MODEL 31 1 HA CYS 9 HA CYS 9 2.497 -0.252 -2.545 2 HB2 CYS 9 HB2 CYS 9 3.007 1.336 -0.102 3 H CYS 9 HN CYS 9 4.695 -0.050 -0.623 4 HB3 CYS 9 HB1 CYS 9 2.136 2.168 -1.386 No H/Q in entry = 4 In of MODEL 31 1 HA CYS 10 HA CYS 10 4.906 2.384 -5.086 2 HB2 CYS 10 HB2 CYS 10 7.472 2.060 -3.523 3 H CYS 10 HN CYS 10 5.305 0.074 -3.360 4 HB3 CYS 10 HB1 CYS 10 7.046 3.378 -4.610 No H/Q in entry = 4 In of MODEL 31 1 HA ARG 11 HA ARG 11 7.178 -0.428 -7.568 2 HB2 ARG 11 HB2 ARG 11 5.024 0.904 -9.188 3 HG2 ARG 11 HG2 ARG 11 4.828 -1.173 -7.498 4 HD2 ARG 11 HD2 ARG 11 5.755 -2.248 -10.124 5 HE ARG 11 HE ARG 11 3.506 -3.314 -8.693 6 HH11 ARG 11 HH11 ARG 11 6.264 -4.114 -10.676 7 HH12 ARG 11 HH12 ARG 11 5.583 -5.602 -11.242 8 HH21 ARG 11 HH21 ARG 11 2.609 -5.271 -9.436 9 HH22 ARG 11 HH22 ARG 11 3.508 -6.259 -10.538 10 H ARG 11 HN ARG 11 5.554 1.983 -7.108 11 HB3 ARG 11 HB1 ARG 11 6.169 -0.199 -9.939 12 HG3 ARG 11 HG1 ARG 11 3.816 -0.972 -8.930 13 HD3 ARG 11 HD1 ARG 11 6.153 -2.782 -8.492 No H/Q in entry = 13 In of MODEL 31 1 HA GLN 12 HA GLN 12 11.107 0.976 -8.842 2 HB2 GLN 12 HB2 GLN 12 9.023 1.560 -10.855 3 HG2 GLN 12 HG2 GLN 12 10.738 0.670 -12.397 4 HE21 GLN 12 HE21 GLN 12 11.764 -1.409 -9.993 5 HE22 GLN 12 HE22 GLN 12 10.515 -2.596 -10.120 6 H GLN 12 HN GLN 12 9.236 0.049 -7.947 7 HB3 GLN 12 HB1 GLN 12 10.476 2.546 -10.954 8 HG3 GLN 12 HG1 GLN 12 11.820 0.463 -11.020 No H/Q in entry = 8 In of MODEL 31 1 HA CYS 13 HA CYS 13 9.938 5.248 -7.519 2 HB2 CYS 13 HB2 CYS 13 11.512 5.550 -9.446 3 H CYS 13 HN CYS 13 8.919 3.615 -9.703 4 HB3 CYS 13 HB1 CYS 13 10.164 6.177 -10.387 No H/Q in entry = 4 In of MODEL 31 1 HA LYS 14 HA LYS 14 5.830 6.627 -8.140 2 HB2 LYS 14 HB2 LYS 14 5.439 4.258 -9.944 3 HG2 LYS 14 HG2 LYS 14 5.649 7.211 -10.309 4 HD2 LYS 14 HD2 LYS 14 4.790 5.634 -12.641 5 HE2 LYS 14 HE2 LYS 14 5.268 8.163 -12.427 6 HZ1 LYS 14 HZ1 LYS 14 3.765 8.464 -10.495 7 HZ3 LYS 14 HZ2 LYS 14 2.449 8.142 -11.506 8 HZ2 LYS 14 HZ3 LYS 14 3.421 9.496 -11.792 9 H LYS 14 HN LYS 14 7.371 4.149 -8.034 10 HB3 LYS 14 HB1 LYS 14 4.080 5.286 -9.512 11 HG3 LYS 14 HG1 LYS 14 6.478 5.911 -11.167 12 HD3 LYS 14 HD1 LYS 14 3.544 5.928 -11.425 13 HE3 LYS 14 HE1 LYS 14 3.858 7.635 -13.343 No H/Q in entry = 13 In of MODEL 31 1 HA LEU 15 HA LEU 15 3.864 4.456 -4.923 2 HB2 LEU 15 HB2 LEU 15 3.739 7.134 -4.601 3 HG LEU 15 HG LEU 15 3.788 5.261 -2.805 4 HD13 LEU 15 HD11 LEU 15 3.822 6.898 -1.260 5 HD12 LEU 15 HD12 LEU 15 2.257 7.545 -1.752 6 HD11 LEU 15 HD13 LEU 15 3.707 7.948 -2.673 7 HD22 LEU 15 HD21 LEU 15 1.863 4.469 -1.942 8 HD21 LEU 15 HD22 LEU 15 1.220 4.879 -3.532 9 HD23 LEU 15 HD23 LEU 15 1.005 5.991 -2.180 10 H LEU 15 HN LEU 15 4.051 6.644 -6.824 11 HB3 LEU 15 HB1 LEU 15 2.029 6.765 -4.713 No H/Q in entry = 11 In of MODEL 31 1 HA LYS 16 HA LYS 16 0.477 2.572 -6.844 2 HB2 LYS 16 HB2 LYS 16 0.410 1.721 -3.959 3 HG2 LYS 16 HG2 LYS 16 2.070 0.803 -5.737 4 HD2 LYS 16 HD2 LYS 16 -0.552 -0.328 -6.580 5 HE2 LYS 16 HE2 LYS 16 1.917 -1.836 -7.260 6 HZ2 LYS 16 HZ1 LYS 16 0.014 -2.549 -8.382 7 HZ1 LYS 16 HZ2 LYS 16 -0.964 -2.449 -7.006 8 HZ3 LYS 16 HZ3 LYS 16 0.198 -3.672 -7.129 9 H LYS 16 HN LYS 16 2.150 3.109 -4.664 10 HB3 LYS 16 HB1 LYS 16 -0.821 1.193 -5.098 11 HG3 LYS 16 HG1 LYS 16 1.239 -0.307 -4.644 12 HD3 LYS 16 HD1 LYS 16 0.835 0.157 -7.558 13 HE3 LYS 16 HE1 LYS 16 1.167 -2.132 -5.692 No H/Q in entry = 13 In of MODEL 31 1 HA PRO 17 HA PRO 17 -2.928 5.332 -6.392 2 HB2 PRO 17 HB2 PRO 17 -5.014 3.793 -7.200 3 HG2 PRO 17 HG2 PRO 17 -4.007 1.703 -7.101 4 HD2 PRO 17 HD2 PRO 17 -1.718 1.459 -6.971 5 HB3 PRO 17 HB1 PRO 17 -3.802 4.431 -8.317 6 HG3 PRO 17 HG1 PRO 17 -3.615 2.158 -8.770 7 HD3 PRO 17 HD1 PRO 17 -1.422 2.648 -8.255 No H/Q in entry = 7 In of MODEL 31 1 HA ALA 18 HA ALA 18 -4.556 4.707 -2.424 2 HB3 ALA 18 HB1 ALA 18 -5.070 6.919 -2.240 3 HB2 ALA 18 HB2 ALA 18 -6.702 6.251 -2.246 4 HB1 ALA 18 HB3 ALA 18 -6.024 6.936 -3.723 5 H ALA 18 HN ALA 18 -4.437 5.964 -4.915 No H/Q in entry = 5 In of MODEL 31 1 HA3 GLY 19 HA2 GLY 19 -8.095 2.227 -1.307 2 H GLY 19 HN GLY 19 -5.938 3.290 -1.480 3 HA2 GLY 19 HA1 GLY 19 -8.264 2.390 -3.049 No H/Q in entry = 3 In of MODEL 31 1 HA THR 20 HA THR 20 -5.959 -1.229 -3.905 2 HB THR 20 HB THR 20 -3.290 0.175 -3.685 3 HG1 THR 20 HG1 THR 20 -4.983 -0.278 -5.912 4 HG23 THR 20 HG21 THR 20 -2.331 -1.542 -4.958 5 HG22 THR 20 HG22 THR 20 -3.899 -2.263 -5.318 6 HG21 THR 20 HG23 THR 20 -3.242 -2.352 -3.684 7 H THR 20 HN THR 20 -5.463 1.491 -3.473 No H/Q in entry = 7 In of MODEL 31 1 HA THR 21 HA THR 21 -5.138 -2.726 0.100 2 HB THR 21 HB THR 21 -5.621 -5.138 0.216 3 HG1 THR 21 HG1 THR 21 -5.935 -5.001 -2.596 4 HG22 THR 21 HG21 THR 21 -7.791 -4.578 -1.567 5 HG21 THR 21 HG22 THR 21 -7.441 -3.171 -0.562 6 HG23 THR 21 HG23 THR 21 -7.790 -4.728 0.190 7 H THR 21 HN THR 21 -5.683 -3.019 -2.708 No H/Q in entry = 7 In of MODEL 31 1 HA CYS 22 HA CYS 22 -0.878 -3.507 -0.209 2 HB2 CYS 22 HB2 CYS 22 -1.516 -2.635 2.260 3 H CYS 22 HN CYS 22 -3.319 -3.205 1.184 4 HB3 CYS 22 HB1 CYS 22 -0.964 -4.259 2.658 No H/Q in entry = 4 In of MODEL 31 1 HA TRP 23 HA TRP 23 -1.923 -7.978 -0.081 2 HB2 TRP 23 HB2 TRP 23 -0.442 -7.460 2.065 3 HD1 TRP 23 HD1 TRP 23 -0.168 -9.145 -0.594 4 HE1 TRP 23 HE1 TRP 23 0.824 -11.518 -0.508 5 HE3 TRP 23 HE3 TRP 23 -0.983 -10.189 4.344 6 HZ2 TRP 23 HZ2 TRP 23 1.211 -13.562 1.400 7 HZ3 TRP 23 HZ3 TRP 23 -0.272 -12.375 5.220 8 HH2 TRP 23 HH2 TRP 23 0.801 -14.026 3.777 9 H TRP 23 HN TRP 23 -3.072 -5.773 1.293 10 HB3 TRP 23 HB1 TRP 23 -1.717 -8.371 2.868 No H/Q in entry = 10 In of MODEL 31 1 HA ARG 24 HA ARG 24 -5.687 -9.635 1.492 2 HB2 ARG 24 HB2 ARG 24 -6.409 -8.104 -0.306 3 HG2 ARG 24 HG2 ARG 24 -7.907 -10.578 -0.952 4 HD2 ARG 24 HD2 ARG 24 -8.935 -7.984 0.143 5 HE ARG 24 HE ARG 24 -10.845 -9.152 -0.273 6 HH11 ARG 24 HH11 ARG 24 -8.569 -9.829 -2.830 7 HH12 ARG 24 HH12 ARG 24 -9.697 -10.759 -3.758 8 HH21 ARG 24 HH21 ARG 24 -12.330 -10.375 -1.492 9 HH22 ARG 24 HH22 ARG 24 -11.832 -11.069 -2.999 10 H ARG 24 HN ARG 24 -3.505 -9.387 -0.459 11 HB3 ARG 24 HB1 ARG 24 -6.064 -9.353 -1.495 12 HG3 ARG 24 HG1 ARG 24 -7.928 -10.013 0.719 13 HD3 ARG 24 HD1 ARG 24 -8.510 -8.153 -1.559 No H/Q in entry = 13 In of MODEL 31 1 HA THR 25 HA THR 25 -4.909 -13.767 0.163 2 HB THR 25 HB THR 25 -4.234 -15.044 2.409 3 HG1 THR 25 HG1 THR 25 -4.604 -13.245 3.747 4 HG21 THR 25 HG21 THR 25 -2.689 -13.498 0.470 5 HG23 THR 25 HG22 THR 25 -2.462 -15.145 1.059 6 HG22 THR 25 HG23 THR 25 -1.870 -13.780 2.006 7 H THR 25 HN THR 25 -5.241 -11.659 2.187 No H/Q in entry = 7 In of MODEL 31 1 HA SER 26 HA SER 26 -9.068 -14.180 2.171 2 HB2 SER 26 HB2 SER 26 -7.239 -15.541 4.095 3 HG SER 26 HG SER 26 -9.105 -16.383 2.132 4 H SER 26 HN SER 26 -6.785 -12.743 2.936 5 HB3 SER 26 HB1 SER 26 -8.977 -15.664 4.371 No H/Q in entry = 5 In of MODEL 31 1 HA VAL 27 HA VAL 27 -10.034 -12.038 6.064 2 HB VAL 27 HB VAL 27 -8.155 -13.360 8.023 3 H VAL 27 HN VAL 27 -7.801 -13.836 5.454 No H/Q in entry = 3 In of MODEL 31 1 HA SER 28 HA SER 28 -6.204 -9.659 7.344 2 HB2 SER 28 HB2 SER 28 -4.584 -11.786 7.195 3 HG SER 28 HG SER 28 -3.253 -10.510 8.232 4 H SER 28 HN SER 28 -6.538 -12.208 6.029 5 HB3 SER 28 HB1 SER 28 -3.964 -10.882 5.814 No H/Q in entry = 5 In of MODEL 31 1 HA SER 29 HA SER 29 -6.285 -7.884 3.268 2 HB2 SER 29 HB2 SER 29 -9.051 -7.180 4.281 3 HG SER 29 HG SER 29 -8.069 -9.171 2.529 4 H SER 29 HN SER 29 -7.531 -8.408 5.877 5 HB3 SER 29 HB1 SER 29 -8.431 -6.802 2.674 No H/Q in entry = 5 In of MODEL 31 1 HA HIS 30 HA HIS 30 -5.285 -4.033 5.140 2 HB2 HIS 30 HB2 HIS 30 -2.992 -5.049 3.509 3 HD1 HIS 30 HD1 HIS 30 -0.838 -5.233 5.096 4 HD2 HIS 30 HD2 HIS 30 -4.477 -4.631 7.009 5 HE1 HIS 30 HE1 HIS 30 -0.442 -5.847 7.502 6 HE2 HIS 30 HE2 HIS 30 -2.634 -5.391 8.657 7 H HIS 30 HN HIS 30 -4.937 -6.220 3.229 8 HB3 HIS 30 HB1 HIS 30 -2.984 -3.371 4.039 No H/Q in entry = 8 In of MODEL 31 1 HA TYR 31 HA TYR 31 -5.647 -1.409 1.522 2 HB2 TYR 31 HB2 TYR 31 -6.732 -0.060 3.996 3 HD1 TYR 31 HD1 TYR 31 -8.410 -1.359 4.888 4 HD2 TYR 31 HD2 TYR 31 -7.902 -1.297 0.665 5 HE1 TYR 31 HE1 TYR 31 -10.371 -2.821 4.637 6 HE2 TYR 31 HE2 TYR 31 -9.863 -2.758 0.401 7 HH TYR 31 HH TYR 31 -12.091 -3.171 2.091 8 H TYR 31 HN TYR 31 -4.682 -1.806 4.262 9 HB3 TYR 31 HB1 TYR 31 -6.986 0.569 2.372 No H/Q in entry = 9 In of MODEL 31 1 HA CYS 32 HA CYS 32 -1.933 0.953 1.741 2 HB2 CYS 32 HB2 CYS 32 -1.966 -0.056 -0.588 3 H CYS 32 HN CYS 32 -4.036 -0.422 0.507 4 HB3 CYS 32 HB1 CYS 32 -2.842 1.380 -1.106 No H/Q in entry = 4 In of MODEL 31 1 HA THR 33 HA THR 33 -3.825 4.736 2.723 2 HB THR 33 HB THR 33 -1.831 6.459 3.017 3 HG1 THR 33 HG1 THR 33 0.107 5.552 3.207 4 HG22 THR 33 HG21 THR 33 -1.953 4.157 4.933 5 HG21 THR 33 HG22 THR 33 -3.222 5.377 4.828 6 HG23 THR 33 HG23 THR 33 -1.580 5.848 5.266 7 H THR 33 HN THR 33 -1.653 3.004 2.378 No H/Q in entry = 7 In of MODEL 31 1 HA3 GLY 34 HA2 GLY 34 -1.652 5.343 -1.985 2 H GLY 34 HN GLY 34 -1.293 4.654 0.254 3 HA2 GLY 34 HA1 GLY 34 -2.984 6.348 -1.435 No H/Q in entry = 3 In of MODEL 31 1 HA ARG 35 HA ARG 35 -0.004 9.501 -0.806 2 HB2 ARG 35 HB2 ARG 35 -0.703 9.340 2.128 3 HG2 ARG 35 HG2 ARG 35 -1.746 11.198 0.002 4 HD2 ARG 35 HD2 ARG 35 -2.887 10.688 2.729 5 HE ARG 35 HE ARG 35 -3.255 13.254 1.555 6 HH11 ARG 35 HH11 ARG 35 -4.394 9.957 1.453 7 HH12 ARG 35 HH12 ARG 35 -5.965 10.385 0.865 8 HH21 ARG 35 HH21 ARG 35 -5.321 13.820 0.782 9 HH22 ARG 35 HH22 ARG 35 -6.492 12.578 0.483 10 H ARG 35 HN ARG 35 -1.325 7.442 0.778 11 HB3 ARG 35 HB1 ARG 35 0.152 10.693 1.400 12 HG3 ARG 35 HG1 ARG 35 -2.598 9.770 0.594 13 HD3 ARG 35 HD1 ARG 35 -1.650 11.917 2.463 No H/Q in entry = 13 In of MODEL 31 1 HA SER 36 HA SER 36 3.595 7.460 1.018 2 HB2 SER 36 HB2 SER 36 2.428 6.665 3.695 3 HG SER 36 HG SER 36 1.973 8.841 3.259 4 H SER 36 HN SER 36 0.736 6.968 1.488 5 HB3 SER 36 HB1 SER 36 4.123 6.991 3.337 No H/Q in entry = 5 In of MODEL 31 1 HA CYS 37 HA CYS 37 3.757 3.231 0.197 2 HB2 CYS 37 HB2 CYS 37 6.319 4.280 0.309 3 H CYS 37 HN CYS 37 4.950 5.573 1.303 4 HB3 CYS 37 HB1 CYS 37 6.421 2.849 1.329 No H/Q in entry = 4 In of MODEL 31 1 HA GLU 38 HA GLU 38 4.716 1.870 4.758 2 HB2 GLU 38 HB2 GLU 38 3.452 4.432 5.751 3 HG2 GLU 38 HG2 GLU 38 6.273 3.534 6.227 4 H GLU 38 HN GLU 38 4.504 4.297 3.409 5 HB3 GLU 38 HB1 GLU 38 4.020 3.108 6.760 6 HG3 GLU 38 HG1 GLU 38 5.835 4.600 4.893 No H/Q in entry = 6 In of MODEL 31 1 HA CYS 39 HA CYS 39 0.469 0.771 4.726 2 HB2 CYS 39 HB2 CYS 39 2.275 -1.555 4.336 3 H CYS 39 HN CYS 39 3.320 0.317 5.306 4 HB3 CYS 39 HB1 CYS 39 0.618 -1.908 4.813 No H/Q in entry = 4 In of MODEL 31 1 HA PRO 40 HA PRO 40 0.575 0.346 9.301 2 HB2 PRO 40 HB2 PRO 40 -1.663 1.832 9.717 3 HG2 PRO 40 HG2 PRO 40 -2.256 2.249 7.511 4 HD2 PRO 40 HD2 PRO 40 -0.781 1.922 5.769 5 HB3 PRO 40 HB1 PRO 40 -0.057 2.543 9.521 6 HG3 PRO 40 HG1 PRO 40 -1.197 3.639 7.816 7 HD3 PRO 40 HD1 PRO 40 0.553 2.728 6.619 No H/Q in entry = 7 In of MODEL 31 1 HA SER 41 HA SER 41 -2.518 -2.724 9.267 2 HB2 SER 41 HB2 SER 41 -1.778 -3.035 12.154 3 HG SER 41 HG SER 41 0.246 -3.033 11.568 4 H SER 41 HN SER 41 -0.590 -1.020 10.599 5 HB3 SER 41 HB1 SER 41 -2.125 -4.276 10.950 No H/Q in entry = 5 In of MODEL 31 1 HA TYR 42 HA TYR 42 -5.697 -0.680 11.523 2 HB2 TYR 42 HB2 TYR 42 -4.061 1.427 11.308 3 HD1 TYR 42 HD1 TYR 42 -7.729 2.007 11.112 4 HD2 TYR 42 HD2 TYR 42 -4.307 1.678 13.620 5 HE1 TYR 42 HE1 TYR 42 -9.068 2.767 13.029 6 HE2 TYR 42 HE2 TYR 42 -5.637 2.437 15.544 7 HH TYR 42 HH TYR 42 -8.776 3.772 15.197 8 H TYR 42 HN TYR 42 -3.790 -0.474 9.289 9 HB3 TYR 42 HB1 TYR 42 -5.329 1.965 10.212 No H/Q in entry = 9 In of MODEL 31 1 HA PRO 43 HA PRO 43 -7.912 -1.236 7.489 2 HB2 PRO 43 HB2 PRO 43 -9.547 -3.214 8.371 3 HG2 PRO 43 HG2 PRO 43 -8.856 -3.323 10.585 4 HD2 PRO 43 HD2 PRO 43 -6.882 -2.367 11.293 5 HB3 PRO 43 HB1 PRO 43 -7.922 -3.521 7.747 6 HG3 PRO 43 HG1 PRO 43 -7.742 -4.493 9.853 7 HD3 PRO 43 HD1 PRO 43 -5.958 -3.035 9.932 No H/Q in entry = 7 In of MODEL 31 1 HA3 GLY 44 HA2 GLY 44 -12.199 -0.586 9.228 2 H GLY 44 HN GLY 44 -10.445 -1.460 7.262 3 HA2 GLY 44 HA1 GLY 44 -11.558 0.860 8.463 No H/Q in entry = 3 In of MODEL 31 1 HA ASN 45 HA ASN 45 -14.711 -0.560 5.635 2 HB2 ASN 45 HB2 ASN 45 -15.840 -2.756 5.402 3 HD21 ASN 45 HD21 ASN 45 -16.678 -4.520 6.279 4 HD22 ASN 45 HD22 ASN 45 -16.403 -5.063 7.896 5 H ASN 45 HN ASN 45 -14.063 -1.250 8.420 6 HB3 ASN 45 HB1 ASN 45 -14.104 -2.911 5.654 No H/Q in entry = 6 In of MODEL 31 1 HA3 GLY 46 HA2 GLY 46 -19.381 -0.876 6.048 2 H GLY 46 HN GLY 46 -17.160 -0.995 5.250 3 HA2 GLY 46 HA1 GLY 46 -18.763 -0.425 7.630 No H/Q in entry = 3 In of MODEL 32 1 H1 ALA 1 HT1 ALA 1 10.969 17.131 -2.127 2 H2 ALA 1 HT3 ALA 1 9.387 16.513 -1.897 3 H3 ALA 1 HT2 ALA 1 10.080 17.554 -0.721 4 HA ALA 1 HA ALA 1 11.491 15.995 0.057 5 HB1 ALA 1 HB1 ALA 1 10.063 14.452 0.889 6 HB2 ALA 1 HB2 ALA 1 9.431 14.019 -0.699 7 HB3 ALA 1 HB3 ALA 1 8.862 15.480 0.108 No H/Q in entry = 7 In of MODEL 32 1 HA MET 2 HA MET 2 10.971 13.435 -4.620 2 HB2 MET 2 HB2 MET 2 13.361 14.839 -3.532 3 H MET 2 HN MET 2 10.104 14.743 -2.974 4 HG2 MET 2 HG2 MET 2 12.303 14.557 -6.335 5 HE2 MET 2 HE1 MET 2 13.757 17.274 -8.030 6 HB3 MET 2 HB1 MET 2 13.635 13.483 -4.616 7 HE1 MET 2 HE2 MET 2 12.883 15.742 -8.050 8 HE3 MET 2 HE3 MET 2 14.611 15.777 -8.404 9 HG3 MET 2 HG1 MET 2 11.954 15.898 -5.246 No H/Q in entry = 9 In of MODEL 32 1 HA ASP 3 HA ASP 3 12.383 9.733 -2.808 2 HB2 ASP 3 HB2 ASP 3 9.585 9.705 -1.669 3 H ASP 3 HN ASP 3 10.295 11.440 -3.922 4 HB3 ASP 3 HB1 ASP 3 10.982 8.797 -1.100 No H/Q in entry = 4 In of MODEL 32 1 HA CYS 4 HA CYS 4 10.613 7.245 -5.916 2 HB2 CYS 4 HB2 CYS 4 13.251 6.724 -5.587 3 H CYS 4 HN CYS 4 12.470 7.810 -3.795 4 HB3 CYS 4 HB1 CYS 4 12.567 5.168 -5.130 No H/Q in entry = 4 In of MODEL 32 1 HA THR 5 HA THR 5 10.150 4.579 -1.343 2 HB THR 5 HB THR 5 7.712 4.571 -3.032 3 HG1 THR 5 HG1 THR 5 7.267 6.737 -2.427 4 HG22 THR 5 HG21 THR 5 8.125 5.313 -0.148 5 HG21 THR 5 HG22 THR 5 7.700 3.703 -0.730 6 HG23 THR 5 HG23 THR 5 6.586 5.050 -0.967 7 H THR 5 HN THR 5 11.266 6.025 -2.697 No H/Q in entry = 7 In of MODEL 32 1 HA THR 6 HA THR 6 8.927 0.772 -3.531 2 HB THR 6 HB THR 6 10.957 -0.704 -2.598 3 HG1 THR 6 HG1 THR 6 12.513 0.453 -1.707 4 HG21 THR 6 HG21 THR 6 10.549 0.744 -4.876 5 HG23 THR 6 HG22 THR 6 11.933 -0.300 -4.555 6 HG22 THR 6 HG23 THR 6 12.045 1.432 -4.246 7 H THR 6 HN THR 6 9.148 2.409 -1.226 No H/Q in entry = 7 In of MODEL 32 1 HA3 GLY 7 HA2 GLY 7 8.076 -2.716 -0.799 2 H GLY 7 HN GLY 7 8.024 -1.217 -3.063 3 HA2 GLY 7 HA1 GLY 7 6.898 -1.468 -0.421 No H/Q in entry = 3 In of MODEL 32 1 HA PRO 8 HA PRO 8 4.794 -5.007 -2.658 2 HB2 PRO 8 HB2 PRO 8 2.948 -5.557 -0.760 3 HG2 PRO 8 HG2 PRO 8 3.518 -3.949 0.816 4 HD2 PRO 8 HD2 PRO 8 5.533 -2.841 0.743 5 HB3 PRO 8 HB1 PRO 8 4.562 -6.276 -0.752 6 HG3 PRO 8 HG1 PRO 8 4.541 -5.293 1.357 7 HD3 PRO 8 HD1 PRO 8 6.457 -4.339 0.511 No H/Q in entry = 7 In of MODEL 32 1 HA CYS 9 HA CYS 9 1.211 -2.087 -2.476 2 HB2 CYS 9 HB2 CYS 9 1.547 -1.436 0.026 3 H CYS 9 HN CYS 9 3.749 -2.110 -1.028 4 HB3 CYS 9 HB1 CYS 9 2.121 0.094 -0.627 No H/Q in entry = 4 In of MODEL 32 1 HA CYS 10 HA CYS 10 2.880 0.361 -5.645 2 HB2 CYS 10 HB2 CYS 10 4.854 1.757 -5.340 3 H CYS 10 HN CYS 10 3.503 -1.875 -4.077 4 HB3 CYS 10 HB1 CYS 10 3.977 1.612 -3.821 No H/Q in entry = 4 In of MODEL 32 1 HA ARG 11 HA ARG 11 6.457 -1.413 -7.838 2 HB2 ARG 11 HB2 ARG 11 5.421 -2.318 -9.849 3 HG2 ARG 11 HG2 ARG 11 3.997 -0.109 -10.149 4 HD2 ARG 11 HD2 ARG 11 2.186 -1.997 -8.658 5 HE ARG 11 HE ARG 11 0.589 -1.202 -10.078 6 HH11 ARG 11 HH11 ARG 11 2.823 1.384 -9.371 7 HH12 ARG 11 HH12 ARG 11 1.891 2.585 -10.199 8 HH21 ARG 11 HH21 ARG 11 -0.639 0.376 -11.169 9 HH22 ARG 11 HH22 ARG 11 -0.075 2.013 -11.220 10 H ARG 11 HN ARG 11 4.572 0.712 -7.401 11 HB3 ARG 11 HB1 ARG 11 4.357 -2.529 -8.466 12 HG3 ARG 11 HG1 ARG 11 3.464 -1.665 -10.789 13 HD3 ARG 11 HD1 ARG 11 2.587 -0.333 -8.233 No H/Q in entry = 13 In of MODEL 32 1 HA GLN 12 HA GLN 12 8.837 0.130 -11.336 2 HB2 GLN 12 HB2 GLN 12 6.189 1.571 -11.497 3 HG2 GLN 12 HG2 GLN 12 7.433 -0.664 -12.985 4 HE21 GLN 12 HE21 GLN 12 6.906 -1.147 -15.115 5 HE22 GLN 12 HE22 GLN 12 6.443 0.075 -16.246 6 H GLN 12 HN GLN 12 7.647 -1.141 -9.873 7 HB3 GLN 12 HB1 GLN 12 7.560 1.954 -12.529 8 HG3 GLN 12 HG1 GLN 12 5.745 -0.379 -12.565 No H/Q in entry = 8 In of MODEL 32 1 HA CYS 13 HA CYS 13 9.764 2.305 -7.070 2 HB2 CYS 13 HB2 CYS 13 11.281 2.431 -9.303 3 H CYS 13 HN CYS 13 8.874 0.765 -8.486 4 HB3 CYS 13 HB1 CYS 13 10.698 4.091 -9.241 No H/Q in entry = 4 In of MODEL 32 1 HA LYS 14 HA LYS 14 6.728 5.453 -7.216 2 HB2 LYS 14 HB2 LYS 14 5.599 4.138 -9.675 3 HG2 LYS 14 HG2 LYS 14 6.564 6.950 -9.511 4 HD2 LYS 14 HD2 LYS 14 6.943 4.937 -11.704 5 HE2 LYS 14 HE2 LYS 14 7.943 7.412 -11.453 6 HZ1 LYS 14 HZ1 LYS 14 5.409 8.104 -11.566 7 HZ3 LYS 14 HZ2 LYS 14 5.708 8.010 -13.228 8 HZ2 LYS 14 HZ3 LYS 14 6.630 9.047 -12.261 9 H LYS 14 HN LYS 14 7.042 2.632 -7.883 10 HB3 LYS 14 HB1 LYS 14 4.829 5.544 -8.955 11 HG3 LYS 14 HG1 LYS 14 7.736 5.635 -9.610 12 HD3 LYS 14 HD1 LYS 14 5.439 5.844 -11.532 13 HE3 LYS 14 HE1 LYS 14 7.518 6.690 -13.005 No H/Q in entry = 13 In of MODEL 32 1 HA LEU 15 HA LEU 15 3.951 3.495 -4.478 2 HB2 LEU 15 HB2 LEU 15 2.649 5.347 -3.271 3 HG LEU 15 HG LEU 15 3.573 7.033 -5.214 4 HD12 LEU 15 HD11 LEU 15 3.155 8.785 -3.247 5 HD11 LEU 15 HD12 LEU 15 2.481 7.345 -2.484 6 HD13 LEU 15 HD13 LEU 15 1.848 7.901 -4.033 7 HD23 LEU 15 HD21 LEU 15 5.190 7.952 -2.926 8 HD22 LEU 15 HD22 LEU 15 5.473 8.118 -4.659 9 HD21 LEU 15 HD23 LEU 15 5.846 6.598 -3.845 10 H LEU 15 HN LEU 15 5.323 5.654 -5.608 11 HB3 LEU 15 HB1 LEU 15 4.381 5.251 -3.018 No H/Q in entry = 11 In of MODEL 32 1 HA LYS 16 HA LYS 16 0.568 3.123 -7.182 2 HB2 LYS 16 HB2 LYS 16 0.152 1.439 -4.762 3 HG2 LYS 16 HG2 LYS 16 -0.354 0.588 -7.571 4 HD2 LYS 16 HD2 LYS 16 1.187 -0.992 -5.599 5 HE2 LYS 16 HE2 LYS 16 -1.193 -2.040 -6.988 6 HZ2 LYS 16 HZ1 LYS 16 0.177 -3.587 -5.892 7 HZ1 LYS 16 HZ2 LYS 16 1.593 -2.948 -6.561 8 HZ3 LYS 16 HZ3 LYS 16 0.501 -3.788 -7.541 9 H LYS 16 HN LYS 16 2.037 2.580 -4.863 10 HB3 LYS 16 HB1 LYS 16 -1.241 1.747 -5.790 11 HG3 LYS 16 HG1 LYS 16 1.307 0.788 -7.009 12 HD3 LYS 16 HD1 LYS 16 -0.527 -0.744 -5.259 13 HE3 LYS 16 HE1 LYS 16 0.141 -1.529 -8.022 No H/Q in entry = 13 In of MODEL 32 1 HA PRO 17 HA PRO 17 -2.263 6.326 -6.128 2 HB2 PRO 17 HB2 PRO 17 -4.606 5.478 -7.208 3 HG2 PRO 17 HG2 PRO 17 -4.076 3.246 -7.563 4 HD2 PRO 17 HD2 PRO 17 -1.899 2.489 -7.524 5 HB3 PRO 17 HB1 PRO 17 -3.251 6.056 -8.185 6 HG3 PRO 17 HG1 PRO 17 -3.545 3.941 -9.106 7 HD3 PRO 17 HD1 PRO 17 -1.314 3.828 -8.532 No H/Q in entry = 7 In of MODEL 32 1 HA ALA 18 HA ALA 18 -4.125 5.311 -2.354 2 HB1 ALA 18 HB1 ALA 18 -4.117 7.695 -2.107 3 HB2 ALA 18 HB2 ALA 18 -5.692 7.089 -1.593 4 HB3 ALA 18 HB3 ALA 18 -5.515 7.857 -3.170 5 H ALA 18 HN ALA 18 -3.687 6.957 -4.561 No H/Q in entry = 5 In of MODEL 32 1 HA3 GLY 19 HA2 GLY 19 -7.790 3.057 -2.620 2 H GLY 19 HN GLY 19 -5.103 3.374 -2.927 3 HA2 GLY 19 HA1 GLY 19 -7.606 3.320 -4.348 No H/Q in entry = 3 In of MODEL 32 1 HA THR 20 HA THR 20 -5.816 -0.610 -5.006 2 HB THR 20 HB THR 20 -2.959 -0.208 -4.321 3 HG1 THR 20 HG1 THR 20 -4.311 1.296 -6.298 4 HG21 THR 20 HG21 THR 20 -4.519 -1.473 -6.511 5 HG23 THR 20 HG22 THR 20 -3.195 -2.121 -5.543 6 HG22 THR 20 HG23 THR 20 -2.863 -0.953 -6.822 7 H THR 20 HN THR 20 -4.961 1.992 -4.365 No H/Q in entry = 7 In of MODEL 32 1 HA THR 21 HA THR 21 -4.633 -2.390 -1.098 2 HB THR 21 HB THR 21 -6.737 -3.408 -1.870 3 HG1 THR 21 HG1 THR 21 -6.569 -5.276 -0.604 4 HG23 THR 21 HG21 THR 21 -6.867 -5.441 -3.037 5 HG22 THR 21 HG22 THR 21 -5.126 -5.702 -2.934 6 HG21 THR 21 HG23 THR 21 -5.766 -4.422 -3.964 7 H THR 21 HN THR 21 -4.634 -2.588 -4.035 No H/Q in entry = 7 In of MODEL 32 1 HA CYS 22 HA CYS 22 -0.631 -4.045 -1.859 2 HB2 CYS 22 HB2 CYS 22 0.502 -4.314 0.395 3 H CYS 22 HN CYS 22 -2.673 -2.849 -0.373 4 HB3 CYS 22 HB1 CYS 22 -0.013 -2.682 -0.016 No H/Q in entry = 4 In of MODEL 32 1 HA TRP 23 HA TRP 23 -3.889 -7.620 0.176 2 HB2 TRP 23 HB2 TRP 23 -2.770 -7.666 -2.247 3 HD1 TRP 23 HD1 TRP 23 -2.249 -11.098 -2.132 4 HE1 TRP 23 HE1 TRP 23 -4.413 -12.489 -2.200 5 HE3 TRP 23 HE3 TRP 23 -5.595 -7.460 -0.823 6 HZ2 TRP 23 HZ2 TRP 23 -7.173 -12.097 -1.757 7 HZ3 TRP 23 HZ3 TRP 23 -7.978 -8.051 -0.668 8 HH2 TRP 23 HH2 TRP 23 -8.750 -10.322 -1.126 9 H TRP 23 HN TRP 23 -3.225 -5.462 -0.097 10 HB3 TRP 23 HB1 TRP 23 -1.625 -8.717 -1.420 No H/Q in entry = 10 In of MODEL 32 1 HA ARG 24 HA ARG 24 -0.763 -8.319 3.298 2 HB2 ARG 24 HB2 ARG 24 -3.427 -7.847 4.526 3 HG2 ARG 24 HG2 ARG 24 -1.868 -6.001 4.381 4 HD2 ARG 24 HD2 ARG 24 -0.032 -7.937 5.729 5 HE ARG 24 HE ARG 24 0.986 -5.303 5.829 6 HH11 ARG 24 HH11 ARG 24 -1.181 -7.457 7.514 7 HH12 ARG 24 HH12 ARG 24 -0.957 -6.685 9.048 8 HH21 ARG 24 HH21 ARG 24 1.282 -4.285 7.845 9 HH22 ARG 24 HH22 ARG 24 0.440 -4.884 9.236 10 H ARG 24 HN ARG 24 -3.401 -7.701 2.356 11 HB3 ARG 24 HB1 ARG 24 -2.269 -8.782 5.462 12 HG3 ARG 24 HG1 ARG 24 -2.139 -6.451 6.066 13 HD3 ARG 24 HD1 ARG 24 0.276 -6.878 4.353 No H/Q in entry = 13 In of MODEL 32 1 HA THR 25 HA THR 25 -4.095 -12.353 2.431 2 HB THR 25 HB THR 25 -2.388 -13.806 1.689 3 HG1 THR 25 HG1 THR 25 -0.418 -12.020 2.653 4 HG22 THR 25 HG21 THR 25 -0.902 -12.363 0.199 5 HG21 THR 25 HG22 THR 25 -1.829 -10.998 0.823 6 HG23 THR 25 HG23 THR 25 -2.646 -12.292 -0.054 7 H THR 25 HN THR 25 -3.622 -10.129 2.476 No H/Q in entry = 7 In of MODEL 32 1 HA SER 26 HA SER 26 -3.154 -13.445 6.629 2 HB2 SER 26 HB2 SER 26 -1.376 -11.592 6.775 3 HG SER 26 HG SER 26 -1.862 -11.723 9.311 4 H SER 26 HN SER 26 -3.688 -11.031 5.035 5 HB3 SER 26 HB1 SER 26 -2.596 -10.666 7.649 No H/Q in entry = 5 In of MODEL 32 1 HA VAL 27 HA VAL 27 -7.024 -11.495 8.000 2 HB VAL 27 HB VAL 27 -7.252 -9.228 9.226 3 H VAL 27 HN VAL 27 -4.733 -10.275 6.630 No H/Q in entry = 3 In of MODEL 32 1 HA SER 28 HA SER 28 -7.156 -9.075 3.556 2 HB2 SER 28 HB2 SER 28 -9.329 -10.242 5.159 3 HG SER 28 HG SER 28 -8.794 -10.008 2.381 4 H SER 28 HN SER 28 -6.128 -10.190 5.249 5 HB3 SER 28 HB1 SER 28 -9.824 -8.880 4.152 No H/Q in entry = 5 In of MODEL 32 1 HA SER 29 HA SER 29 -9.145 -4.927 3.318 2 HB2 SER 29 HB2 SER 29 -9.154 -5.518 6.287 3 HG SER 29 HG SER 29 -10.679 -6.780 5.161 4 H SER 29 HN SER 29 -8.774 -7.162 3.119 5 HB3 SER 29 HB1 SER 29 -9.837 -4.091 5.508 No H/Q in entry = 5 In of MODEL 32 1 HA HIS 30 HA HIS 30 -5.539 -2.768 4.346 2 HB2 HIS 30 HB2 HIS 30 -4.528 -5.314 3.142 3 HD1 HIS 30 HD1 HIS 30 -3.036 -3.177 5.869 4 HD2 HIS 30 HD2 HIS 30 -5.138 -6.733 5.417 5 HE1 HIS 30 HE1 HIS 30 -3.003 -4.269 8.134 6 HE2 HIS 30 HE2 HIS 30 -4.356 -6.376 7.857 7 H HIS 30 HN HIS 30 -7.155 -4.256 2.502 8 HB3 HIS 30 HB1 HIS 30 -3.411 -3.972 3.366 No H/Q in entry = 8 In of MODEL 32 1 HA TYR 31 HA TYR 31 -4.795 -0.949 0.419 2 HB2 TYR 31 HB2 TYR 31 -6.780 1.028 1.537 3 HD1 TYR 31 HD1 TYR 31 -9.069 0.585 1.659 4 HD2 TYR 31 HD2 TYR 31 -6.506 -2.228 -0.243 5 HE1 TYR 31 HE1 TYR 31 -10.939 -1.004 1.501 6 HE2 TYR 31 HE2 TYR 31 -8.368 -3.825 -0.407 7 HH TYR 31 HH TYR 31 -10.530 -4.260 0.776 8 H TYR 31 HN TYR 31 -5.698 -0.918 3.224 9 HB3 TYR 31 HB1 TYR 31 -6.380 0.731 -0.151 No H/Q in entry = 9 In of MODEL 32 1 HA CYS 32 HA CYS 32 -2.515 2.546 1.870 2 HB2 CYS 32 HB2 CYS 32 -1.909 2.053 -1.031 3 H CYS 32 HN CYS 32 -4.146 1.361 -0.281 4 HB3 CYS 32 HB1 CYS 32 -1.061 3.313 -0.141 No H/Q in entry = 4 In of MODEL 32 1 HA THR 33 HA THR 33 -4.377 6.257 0.487 2 HB THR 33 HB THR 33 -4.217 7.906 2.197 3 HG1 THR 33 HG1 THR 33 -2.529 7.860 3.727 4 HG22 THR 33 HG21 THR 33 -4.166 6.530 4.346 5 HG21 THR 33 HG22 THR 33 -3.959 5.133 3.289 6 HG23 THR 33 HG23 THR 33 -5.398 6.143 3.144 7 H THR 33 HN THR 33 -2.156 4.831 1.783 No H/Q in entry = 7 In of MODEL 32 1 HA3 GLY 34 HA2 GLY 34 -0.334 6.442 -2.272 2 H GLY 34 HN GLY 34 -1.866 5.511 -0.840 3 HA2 GLY 34 HA1 GLY 34 -1.379 7.855 -2.274 No H/Q in entry = 3 In of MODEL 32 1 HA ARG 35 HA ARG 35 1.625 9.170 0.824 2 HB2 ARG 35 HB2 ARG 35 -0.007 8.083 2.656 3 HG2 ARG 35 HG2 ARG 35 1.000 10.270 2.927 4 HD2 ARG 35 HD2 ARG 35 3.281 10.126 4.262 5 HE ARG 35 HE ARG 35 3.914 9.955 1.502 6 HH11 ARG 35 HH11 ARG 35 2.143 11.881 3.812 7 HH12 ARG 35 HH12 ARG 35 2.273 13.338 2.885 8 HH21 ARG 35 HH21 ARG 35 4.086 11.870 0.282 9 HH22 ARG 35 HH22 ARG 35 3.375 13.332 0.880 10 H ARG 35 HN ARG 35 0.080 6.689 0.668 11 HB3 ARG 35 HB1 ARG 35 1.498 7.308 3.133 12 HG3 ARG 35 HG1 ARG 35 1.153 9.326 4.410 13 HD3 ARG 35 HD1 ARG 35 3.463 8.651 3.312 No H/Q in entry = 13 In of MODEL 32 1 HA SER 36 HA SER 36 4.646 5.771 -0.092 2 HB2 SER 36 HB2 SER 36 4.257 5.590 2.859 3 HG SER 36 HG SER 36 5.482 7.265 2.571 4 H SER 36 HN SER 36 1.989 5.688 0.804 5 HB3 SER 36 HB1 SER 36 5.506 4.580 2.130 No H/Q in entry = 5 In of MODEL 32 1 HA CYS 37 HA CYS 37 3.837 1.609 -0.853 2 HB2 CYS 37 HB2 CYS 37 6.733 1.256 -0.051 3 H CYS 37 HN CYS 37 5.705 3.515 0.145 4 HB3 CYS 37 HB1 CYS 37 5.780 0.091 -0.963 No H/Q in entry = 4 In of MODEL 32 1 HA GLU 38 HA GLU 38 4.762 -0.280 3.448 2 HB2 GLU 38 HB2 GLU 38 5.193 2.474 4.596 3 HG2 GLU 38 HG2 GLU 38 7.015 0.720 3.583 4 H GLU 38 HN GLU 38 5.295 2.226 2.252 5 HB3 GLU 38 HB1 GLU 38 4.933 1.060 5.607 6 HG3 GLU 38 HG1 GLU 38 7.354 1.974 4.775 No H/Q in entry = 6 In of MODEL 32 1 HA CYS 39 HA CYS 39 0.371 0.425 3.376 2 HB2 CYS 39 HB2 CYS 39 1.091 -2.305 3.173 3 H CYS 39 HN CYS 39 2.738 -1.070 3.331 4 HB3 CYS 39 HB1 CYS 39 -0.084 -2.189 4.479 No H/Q in entry = 4 In of MODEL 32 1 HA PRO 40 HA PRO 40 -0.143 1.453 7.640 2 HB2 PRO 40 HB2 PRO 40 -2.843 1.637 7.788 3 HG2 PRO 40 HG2 PRO 40 -3.411 0.567 5.807 4 HD2 PRO 40 HD2 PRO 40 -1.867 0.196 4.140 5 HB3 PRO 40 HB1 PRO 40 -1.847 2.843 6.964 6 HG3 PRO 40 HG1 PRO 40 -3.275 2.238 5.230 7 HD3 PRO 40 HD1 PRO 40 -1.242 1.856 4.216 No H/Q in entry = 7 In of MODEL 32 1 HA SER 41 HA SER 41 -1.557 -2.166 9.648 2 HB2 SER 41 HB2 SER 41 -0.878 -0.101 11.698 3 HG SER 41 HG SER 41 0.127 -2.716 11.267 4 H SER 41 HN SER 41 -1.380 0.760 9.627 5 HB3 SER 41 HB1 SER 41 -1.576 -1.626 12.243 No H/Q in entry = 5 In of MODEL 32 1 HA TYR 42 HA TYR 42 -5.834 -1.529 10.351 2 HB2 TYR 42 HB2 TYR 42 -5.116 1.144 10.512 3 HD1 TYR 42 HD1 TYR 42 -5.807 -0.976 12.389 4 HD2 TYR 42 HD2 TYR 42 -8.294 1.975 10.598 5 HE1 TYR 42 HE1 TYR 42 -7.350 -1.126 14.298 6 HE2 TYR 42 HE2 TYR 42 -9.843 1.834 12.502 7 HH TYR 42 HH TYR 42 -10.461 0.318 14.266 8 H TYR 42 HN TYR 42 -3.712 -0.496 8.640 9 HB3 TYR 42 HB1 TYR 42 -6.482 1.156 9.402 No H/Q in entry = 9 In of MODEL 32 1 HA PRO 43 HA PRO 43 -7.593 -2.540 6.427 2 HB2 PRO 43 HB2 PRO 43 -10.201 -2.814 7.112 3 HG2 PRO 43 HG2 PRO 43 -10.163 -1.782 9.192 4 HD2 PRO 43 HD2 PRO 43 -8.192 -1.375 10.311 5 HB3 PRO 43 HB1 PRO 43 -8.965 -3.993 7.567 6 HG3 PRO 43 HG1 PRO 43 -9.807 -3.454 9.667 7 HD3 PRO 43 HD1 PRO 43 -7.573 -3.012 10.015 No H/Q in entry = 7 In of MODEL 32 1 HA3 GLY 44 HA2 GLY 44 -9.154 2.291 7.242 2 H GLY 44 HN GLY 44 -8.873 0.144 8.282 3 HA2 GLY 44 HA1 GLY 44 -9.573 1.469 5.748 No H/Q in entry = 3 In of MODEL 32 1 HA ASN 45 HA ASN 45 -13.535 2.444 7.477 2 HB2 ASN 45 HB2 ASN 45 -13.096 4.041 5.345 3 HD21 ASN 45 HD21 ASN 45 -13.862 5.811 6.213 4 HD22 ASN 45 HD22 ASN 45 -15.395 5.993 6.987 5 H ASN 45 HN ASN 45 -11.556 2.311 5.359 6 HB3 ASN 45 HB1 ASN 45 -14.332 2.981 4.674 No H/Q in entry = 6 In of MODEL 32 1 HA3 GLY 46 HA2 GLY 46 -15.401 -1.323 6.481 2 H GLY 46 HN GLY 46 -15.565 1.383 7.408 3 HA2 GLY 46 HA1 GLY 46 -16.767 -0.585 7.304 No H/Q in entry = 3 In of MODEL 33 1 H1 ALA 1 HT3 ALA 1 18.186 10.513 -9.202 2 H2 ALA 1 HT2 ALA 1 16.873 10.661 -10.298 3 H3 ALA 1 HT1 ALA 1 17.324 11.991 -9.312 4 HA ALA 1 HA ALA 1 15.453 11.124 -8.337 5 HB3 ALA 1 HB1 ALA 1 16.710 8.494 -8.994 6 HB1 ALA 1 HB2 ALA 1 15.082 9.077 -9.339 7 HB2 ALA 1 HB3 ALA 1 15.521 8.608 -7.697 No H/Q in entry = 7 In of MODEL 33 1 HA MET 2 HA MET 2 17.997 11.603 -4.786 2 HB2 MET 2 HB2 MET 2 16.349 13.622 -4.906 3 H MET 2 HN MET 2 15.607 11.906 -6.351 4 HG2 MET 2 HG2 MET 2 17.797 12.603 -2.529 5 HE3 MET 2 HE1 MET 2 15.712 13.349 0.249 6 HB3 MET 2 HB1 MET 2 15.429 12.719 -3.710 7 HE2 MET 2 HE2 MET 2 17.432 13.740 0.254 8 HE1 MET 2 HE3 MET 2 16.850 12.339 -0.644 9 HG3 MET 2 HG1 MET 2 18.051 14.073 -3.468 No H/Q in entry = 9 In of MODEL 33 1 HA ASP 3 HA ASP 3 15.155 8.262 -3.093 2 HB2 ASP 3 HB2 ASP 3 15.115 10.491 -1.122 3 H ASP 3 HN ASP 3 14.586 10.899 -4.001 4 HB3 ASP 3 HB1 ASP 3 14.289 9.002 -0.671 No H/Q in entry = 4 In of MODEL 33 1 HA CYS 4 HA CYS 4 10.884 9.033 -4.330 2 HB2 CYS 4 HB2 CYS 4 11.388 6.165 -5.123 3 H CYS 4 HN CYS 4 13.408 7.819 -4.468 4 HB3 CYS 4 HB1 CYS 4 10.088 7.219 -5.668 No H/Q in entry = 4 In of MODEL 33 1 HA THR 5 HA THR 5 9.144 6.602 -1.112 2 HB THR 5 HB THR 5 6.578 6.309 -2.583 3 HG1 THR 5 HG1 THR 5 6.489 8.298 -3.208 4 HG23 THR 5 HG21 THR 5 5.641 7.385 -0.642 5 HG22 THR 5 HG22 THR 5 7.255 7.702 -0.005 6 HG21 THR 5 HG23 THR 5 6.673 6.043 -0.148 7 H THR 5 HN THR 5 8.991 7.111 -4.000 No H/Q in entry = 7 In of MODEL 33 1 HA THR 6 HA THR 6 9.279 2.431 -2.660 2 HB THR 6 HB THR 6 10.980 1.336 -0.804 3 HG1 THR 6 HG1 THR 6 11.984 3.924 -1.347 4 HG22 THR 6 HG21 THR 6 12.716 2.349 -2.696 5 HG21 THR 6 HG22 THR 6 11.177 2.216 -3.547 6 HG23 THR 6 HG23 THR 6 11.873 0.801 -2.756 7 H THR 6 HN THR 6 10.171 4.639 -1.013 No H/Q in entry = 7 In of MODEL 33 1 HA3 GLY 7 HA2 GLY 7 7.624 -0.250 0.544 2 H GLY 7 HN GLY 7 8.147 0.647 -1.991 3 HA2 GLY 7 HA1 GLY 7 6.424 1.003 0.272 No H/Q in entry = 3 In of MODEL 33 1 HA PRO 8 HA PRO 8 4.851 -3.058 -1.435 2 HB2 PRO 8 HB2 PRO 8 2.556 -3.164 -0.014 3 HG2 PRO 8 HG2 PRO 8 2.732 -1.171 1.166 4 HD2 PRO 8 HD2 PRO 8 4.723 -0.033 1.327 5 HB3 PRO 8 HB1 PRO 8 4.088 -3.783 0.613 6 HG3 PRO 8 HG1 PRO 8 3.535 -2.277 2.297 7 HD3 PRO 8 HD1 PRO 8 5.632 -1.491 1.771 No H/Q in entry = 7 In of MODEL 33 1 HA CYS 9 HA CYS 9 1.447 -0.331 -2.975 2 HB2 CYS 9 HB2 CYS 9 1.893 1.619 -0.819 3 H CYS 9 HN CYS 9 3.525 0.130 -0.975 4 HB3 CYS 9 HB1 CYS 9 1.232 2.310 -2.297 No H/Q in entry = 4 In of MODEL 33 1 HA CYS 10 HA CYS 10 4.176 1.664 -5.790 2 HB2 CYS 10 HB2 CYS 10 6.628 1.821 -4.044 3 H CYS 10 HN CYS 10 4.426 -0.149 -3.523 4 HB3 CYS 10 HB1 CYS 10 6.145 2.905 -5.343 No H/Q in entry = 4 In of MODEL 33 1 HA ARG 11 HA ARG 11 6.846 -1.380 -7.419 2 HB2 ARG 11 HB2 ARG 11 5.821 -0.416 -9.396 3 HG2 ARG 11 HG2 ARG 11 7.438 -0.896 -11.115 4 HD2 ARG 11 HD2 ARG 11 8.159 -2.748 -8.874 5 HE ARG 11 HE ARG 11 8.526 -2.977 -11.563 6 HH11 ARG 11 HH11 ARG 11 6.682 -4.748 -9.189 7 HH12 ARG 11 HH12 ARG 11 6.805 -6.255 -10.033 8 HH21 ARG 11 HH21 ARG 11 8.690 -4.958 -12.676 9 HH22 ARG 11 HH22 ARG 11 7.946 -6.374 -12.013 10 H ARG 11 HN ARG 11 6.210 1.474 -7.211 11 HB3 ARG 11 HB1 ARG 11 7.036 0.853 -9.450 12 HG3 ARG 11 HG1 ARG 11 8.759 -0.770 -9.951 13 HD3 ARG 11 HD1 ARG 11 6.525 -2.724 -9.538 No H/Q in entry = 13 In of MODEL 33 1 HA GLN 12 HA GLN 12 10.909 0.668 -6.859 2 HB2 GLN 12 HB2 GLN 12 10.903 -0.173 -9.400 3 HG2 GLN 12 HG2 GLN 12 13.509 0.337 -9.311 4 HE21 GLN 12 HE21 GLN 12 12.774 -1.753 -10.178 5 HE22 GLN 12 HE22 GLN 12 12.801 -3.128 -9.131 6 H GLN 12 HN GLN 12 8.662 1.446 -8.571 7 HB3 GLN 12 HB1 GLN 12 11.572 1.434 -9.650 8 HG3 GLN 12 HG1 GLN 12 13.117 0.659 -7.623 No H/Q in entry = 8 In of MODEL 33 1 HA CYS 13 HA CYS 13 10.305 5.091 -6.406 2 HB2 CYS 13 HB2 CYS 13 11.759 5.097 -8.355 3 H CYS 13 HN CYS 13 8.870 3.044 -7.594 4 HB3 CYS 13 HB1 CYS 13 10.372 5.232 -9.428 No H/Q in entry = 4 In of MODEL 33 1 HA LYS 14 HA LYS 14 6.226 6.510 -7.898 2 HB2 LYS 14 HB2 LYS 14 5.771 4.662 -10.246 3 HG2 LYS 14 HG2 LYS 14 6.342 6.989 -11.412 4 HD2 LYS 14 HD2 LYS 14 8.775 6.074 -11.526 5 HE2 LYS 14 HE2 LYS 14 6.617 4.167 -12.379 6 HZ2 LYS 14 HZ1 LYS 14 8.548 3.353 -13.223 7 HZ1 LYS 14 HZ2 LYS 14 9.309 4.863 -13.291 8 HZ3 LYS 14 HZ3 LYS 14 8.165 4.439 -14.463 9 H LYS 14 HN LYS 14 7.830 4.190 -8.722 10 HB3 LYS 14 HB1 LYS 14 4.902 6.150 -9.897 11 HG3 LYS 14 HG1 LYS 14 7.392 7.121 -9.999 12 HD3 LYS 14 HD1 LYS 14 8.107 4.702 -10.640 13 HE3 LYS 14 HE1 LYS 14 6.845 5.730 -13.163 No H/Q in entry = 13 In of MODEL 33 1 HA LEU 15 HA LEU 15 3.836 3.605 -5.716 2 HB2 LEU 15 HB2 LEU 15 2.325 4.700 -4.206 3 HG LEU 15 HG LEU 15 2.491 7.002 -6.089 4 HD12 LEU 15 HD11 LEU 15 0.116 7.223 -5.057 5 HD11 LEU 15 HD12 LEU 15 0.405 5.576 -4.498 6 HD13 LEU 15 HD13 LEU 15 0.448 5.942 -6.223 7 HD22 LEU 15 HD21 LEU 15 2.104 8.634 -4.441 8 HD21 LEU 15 HD22 LEU 15 3.486 7.706 -3.860 9 HD23 LEU 15 HD23 LEU 15 1.885 7.424 -3.177 10 H LEU 15 HN LEU 15 4.458 6.236 -6.691 11 HB3 LEU 15 HB1 LEU 15 3.824 5.607 -4.260 No H/Q in entry = 11 In of MODEL 33 1 HA LYS 16 HA LYS 16 0.498 2.819 -8.343 2 HB2 LYS 16 HB2 LYS 16 0.074 1.145 -5.898 3 HG2 LYS 16 HG2 LYS 16 0.119 -0.006 -8.610 4 HD2 LYS 16 HD2 LYS 16 1.679 -0.711 -6.132 5 HE2 LYS 16 HE2 LYS 16 0.917 -2.206 -8.631 6 HZ2 LYS 16 HZ1 LYS 16 1.943 -4.130 -7.631 7 HZ1 LYS 16 HZ2 LYS 16 0.631 -3.634 -6.686 8 HZ3 LYS 16 HZ3 LYS 16 2.209 -3.289 -6.186 9 H LYS 16 HN LYS 16 1.694 2.672 -5.736 10 HB3 LYS 16 HB1 LYS 16 -1.155 1.160 -7.155 11 HG3 LYS 16 HG1 LYS 16 1.625 0.718 -8.042 12 HD3 LYS 16 HD1 LYS 16 0.044 -1.295 -6.453 13 HE3 LYS 16 HE1 LYS 16 2.539 -1.817 -8.058 No H/Q in entry = 13 In of MODEL 33 1 HA PRO 17 HA PRO 17 -2.768 5.717 -7.822 2 HB2 PRO 17 HB2 PRO 17 -4.600 3.561 -8.766 3 HG2 PRO 17 HG2 PRO 17 -3.397 3.158 -10.718 4 HD2 PRO 17 HD2 PRO 17 -2.039 2.098 -9.184 5 HB3 PRO 17 HB1 PRO 17 -4.405 5.214 -9.362 6 HG3 PRO 17 HG1 PRO 17 -2.508 4.688 -10.591 7 HD3 PRO 17 HD1 PRO 17 -0.867 3.299 -9.762 No H/Q in entry = 7 In of MODEL 33 1 HA ALA 18 HA ALA 18 -4.455 4.857 -3.925 2 HB2 ALA 18 HB1 ALA 18 -5.867 6.548 -3.148 3 HB3 ALA 18 HB2 ALA 18 -6.507 6.880 -4.757 4 HB1 ALA 18 HB3 ALA 18 -4.857 7.351 -4.350 5 H ALA 18 HN ALA 18 -4.264 6.298 -6.308 No H/Q in entry = 5 In of MODEL 33 1 HA3 GLY 19 HA2 GLY 19 -7.932 2.257 -3.389 2 H GLY 19 HN GLY 19 -5.478 3.007 -3.557 3 HA2 GLY 19 HA1 GLY 19 -7.881 2.384 -5.141 No H/Q in entry = 3 In of MODEL 33 1 HA THR 20 HA THR 20 -5.563 -1.297 -5.633 2 HB THR 20 HB THR 20 -2.803 -0.410 -4.925 3 HG1 THR 20 HG1 THR 20 -3.056 1.284 -6.136 4 HG21 THR 20 HG21 THR 20 -4.027 -2.132 -7.043 5 HG23 THR 20 HG22 THR 20 -2.813 -2.548 -5.834 6 HG22 THR 20 HG23 THR 20 -2.384 -1.507 -7.192 7 H THR 20 HN THR 20 -5.063 1.417 -5.176 No H/Q in entry = 7 In of MODEL 33 1 HA THR 21 HA THR 21 -5.331 -3.034 -1.688 2 HB THR 21 HB THR 21 -4.545 -5.542 -1.935 3 HG1 THR 21 HG1 THR 21 -3.723 -5.214 -4.064 4 HG23 THR 21 HG21 THR 21 -6.782 -5.330 -1.477 5 HG22 THR 21 HG22 THR 21 -6.813 -6.049 -3.087 6 HG21 THR 21 HG23 THR 21 -7.087 -4.318 -2.888 7 H THR 21 HN THR 21 -4.919 -3.170 -4.502 No H/Q in entry = 7 In of MODEL 33 1 HA CYS 22 HA CYS 22 -1.096 -2.777 -0.678 2 HB2 CYS 22 HB2 CYS 22 -2.648 -1.454 1.073 3 H CYS 22 HN CYS 22 -3.913 -3.163 -0.020 4 HB3 CYS 22 HB1 CYS 22 -2.015 -2.700 2.144 No H/Q in entry = 4 In of MODEL 33 1 HA TRP 23 HA TRP 23 -1.181 -7.075 0.828 2 HB2 TRP 23 HB2 TRP 23 -0.969 -5.718 3.048 3 HD1 TRP 23 HD1 TRP 23 0.718 -7.933 1.646 4 HE1 TRP 23 HE1 TRP 23 1.674 -9.907 2.994 5 HE3 TRP 23 HE3 TRP 23 -2.456 -7.796 5.653 6 HZ2 TRP 23 HZ2 TRP 23 1.153 -11.230 5.432 7 HZ3 TRP 23 HZ3 TRP 23 -2.159 -9.451 7.449 8 HH2 TRP 23 HH2 TRP 23 -0.392 -11.132 7.339 9 H TRP 23 HN TRP 23 -3.229 -5.050 0.900 10 HB3 TRP 23 HB1 TRP 23 -2.409 -6.612 3.527 No H/Q in entry = 10 In of MODEL 33 1 HA ARG 24 HA ARG 24 -5.065 -9.111 0.544 2 HB2 ARG 24 HB2 ARG 24 -3.231 -10.161 -1.600 3 HG2 ARG 24 HG2 ARG 24 -4.720 -7.923 -1.612 4 HD2 ARG 24 HD2 ARG 24 -6.535 -10.171 -2.166 5 HE ARG 24 HE ARG 24 -7.365 -8.004 -3.772 6 HH11 ARG 24 HH11 ARG 24 -5.169 -10.717 -3.791 7 HH12 ARG 24 HH12 ARG 24 -5.190 -10.882 -5.515 8 HH21 ARG 24 HH21 ARG 24 -7.394 -8.220 -6.039 9 HH22 ARG 24 HH22 ARG 24 -6.453 -9.465 -6.791 10 H ARG 24 HN ARG 24 -2.211 -8.754 -0.009 11 HB3 ARG 24 HB1 ARG 24 -4.824 -10.855 -1.331 12 HG3 ARG 24 HG1 ARG 24 -4.343 -8.864 -3.056 13 HD3 ARG 24 HD1 ARG 24 -6.890 -8.535 -1.614 No H/Q in entry = 13 In of MODEL 33 1 HA THR 25 HA THR 25 -4.629 -13.281 2.002 2 HB THR 25 HB THR 25 -2.921 -12.260 3.307 3 HG1 THR 25 HG1 THR 25 -4.818 -13.238 5.168 4 HG22 THR 25 HG21 THR 25 -3.962 -11.124 5.544 5 HG21 THR 25 HG22 THR 25 -5.072 -10.556 4.298 6 HG23 THR 25 HG23 THR 25 -3.343 -10.241 4.149 7 H THR 25 HN THR 25 -5.840 -10.766 1.708 No H/Q in entry = 7 In of MODEL 33 1 HA SER 26 HA SER 26 -8.529 -13.870 3.802 2 HB2 SER 26 HB2 SER 26 -7.531 -16.195 3.089 3 HG SER 26 HG SER 26 -9.811 -15.590 3.513 4 H SER 26 HN SER 26 -5.732 -14.634 3.626 5 HB3 SER 26 HB1 SER 26 -7.470 -16.479 4.829 No H/Q in entry = 5 In of MODEL 33 1 HA VAL 27 HA VAL 27 -8.228 -13.039 8.050 2 HB VAL 27 HB VAL 27 -5.429 -11.957 7.737 3 H VAL 27 HN VAL 27 -7.331 -12.199 5.425 No H/Q in entry = 3 In of MODEL 33 1 HA SER 28 HA SER 28 -8.601 -8.570 7.109 2 HB2 SER 28 HB2 SER 28 -5.647 -8.265 7.686 3 HG SER 28 HG SER 28 -6.222 -8.539 9.699 4 H SER 28 HN SER 28 -6.654 -10.494 6.162 5 HB3 SER 28 HB1 SER 28 -6.807 -6.941 7.789 No H/Q in entry = 5 In of MODEL 33 1 HA SER 29 HA SER 29 -6.615 -6.535 3.558 2 HB2 SER 29 HB2 SER 29 -8.785 -5.368 2.561 3 HG SER 29 HG SER 29 -10.608 -6.602 3.483 4 H SER 29 HN SER 29 -7.959 -6.307 6.120 5 HB3 SER 29 HB1 SER 29 -8.634 -7.124 2.620 No H/Q in entry = 5 In of MODEL 33 1 HA HIS 30 HA HIS 30 -6.245 -2.326 4.776 2 HB2 HIS 30 HB2 HIS 30 -3.408 -3.232 4.239 3 HD1 HIS 30 HD1 HIS 30 -3.081 -2.044 7.358 4 HD2 HIS 30 HD2 HIS 30 -5.193 -5.337 5.956 5 HE1 HIS 30 HE1 HIS 30 -3.329 -3.577 9.337 6 HE2 HIS 30 HE2 HIS 30 -4.685 -5.522 8.485 7 H HIS 30 HN HIS 30 -5.293 -4.847 3.597 8 HB3 HIS 30 HB1 HIS 30 -3.878 -1.726 5.020 No H/Q in entry = 8 In of MODEL 33 1 HA TYR 31 HA TYR 31 -6.235 -1.139 0.513 2 HB2 TYR 31 HB2 TYR 31 -8.136 0.608 2.062 3 HD1 TYR 31 HD1 TYR 31 -9.983 -0.706 2.493 4 HD2 TYR 31 HD2 TYR 31 -7.987 -1.140 -1.240 5 HE1 TYR 31 HE1 TYR 31 -11.702 -2.307 1.767 6 HE2 TYR 31 HE2 TYR 31 -9.702 -2.741 -1.977 7 HH TYR 31 HH TYR 31 -11.581 -4.381 -0.181 8 H TYR 31 HN TYR 31 -7.090 -1.066 3.240 9 HB3 TYR 31 HB1 TYR 31 -7.739 0.953 0.382 No H/Q in entry = 9 In of MODEL 33 1 HA CYS 32 HA CYS 32 -3.154 1.887 0.768 2 HB2 CYS 32 HB2 CYS 32 -3.128 0.831 -1.639 3 H CYS 32 HN CYS 32 -5.260 0.563 -0.680 4 HB3 CYS 32 HB1 CYS 32 -3.722 2.415 -2.124 No H/Q in entry = 4 In of MODEL 33 1 HA THR 33 HA THR 33 -5.132 5.784 0.587 2 HB THR 33 HB THR 33 -3.615 5.991 2.463 3 HG1 THR 33 HG1 THR 33 -3.485 8.315 0.845 4 HG23 THR 33 HG21 THR 33 -1.400 6.956 2.261 5 HG22 THR 33 HG22 THR 33 -1.550 6.962 0.504 6 HG21 THR 33 HG23 THR 33 -1.507 5.432 1.381 7 H THR 33 HN THR 33 -2.662 4.224 0.287 No H/Q in entry = 7 In of MODEL 33 1 HA3 GLY 34 HA2 GLY 34 -1.872 6.374 -3.409 2 H GLY 34 HN GLY 34 -1.997 5.793 -1.076 3 HA2 GLY 34 HA1 GLY 34 -3.228 7.465 -3.166 No H/Q in entry = 3 In of MODEL 33 1 HA ARG 35 HA ARG 35 -0.554 10.641 -1.824 2 HB2 ARG 35 HB2 ARG 35 -0.414 11.530 0.439 3 HG2 ARG 35 HG2 ARG 35 -1.661 8.950 1.364 4 HD2 ARG 35 HD2 ARG 35 -0.573 10.925 3.258 5 HE ARG 35 HE ARG 35 -2.166 8.763 3.548 6 HH11 ARG 35 HH11 ARG 35 -2.633 12.164 4.177 7 HH12 ARG 35 HH12 ARG 35 -3.740 11.899 5.481 8 HH21 ARG 35 HH21 ARG 35 -3.622 8.412 5.264 9 HH22 ARG 35 HH22 ARG 35 -4.301 9.769 6.099 10 H ARG 35 HN ARG 35 -2.049 8.512 -0.656 11 HB3 ARG 35 HB1 ARG 35 -2.050 10.983 0.099 12 HG3 ARG 35 HG1 ARG 35 0.008 9.438 1.662 13 HD3 ARG 35 HD1 ARG 35 -2.048 11.404 2.421 No H/Q in entry = 13 In of MODEL 33 1 HA SER 36 HA SER 36 3.016 7.979 -0.862 2 HB2 SER 36 HB2 SER 36 2.609 7.580 2.078 3 HG SER 36 HG SER 36 2.908 10.124 0.860 4 H SER 36 HN SER 36 0.254 7.717 -0.091 5 HB3 SER 36 HB1 SER 36 4.021 8.192 1.218 No H/Q in entry = 5 In of MODEL 33 1 HA CYS 37 HA CYS 37 2.865 3.676 -0.698 2 HB2 CYS 37 HB2 CYS 37 5.544 4.442 -0.617 3 H CYS 37 HN CYS 37 4.300 6.038 0.006 4 HB3 CYS 37 HB1 CYS 37 5.417 3.181 0.605 No H/Q in entry = 4 In of MODEL 33 1 HA GLU 38 HA GLU 38 3.547 2.999 4.037 2 HB2 GLU 38 HB2 GLU 38 3.039 5.937 4.533 3 HG2 GLU 38 HG2 GLU 38 5.467 4.229 4.655 4 H GLU 38 HN GLU 38 3.822 5.179 2.305 5 HB3 GLU 38 HB1 GLU 38 3.144 4.719 5.797 6 HG3 GLU 38 HG1 GLU 38 5.282 5.895 4.108 No H/Q in entry = 6 In of MODEL 33 1 HA CYS 39 HA CYS 39 -0.839 2.801 3.781 2 HB2 CYS 39 HB2 CYS 39 0.381 0.095 3.948 3 H CYS 39 HN CYS 39 1.828 1.749 4.304 4 HB3 CYS 39 HB1 CYS 39 -1.319 0.236 4.382 No H/Q in entry = 4 In of MODEL 33 1 HA PRO 40 HA PRO 40 -2.420 3.223 7.860 2 HB2 PRO 40 HB2 PRO 40 -4.231 0.900 7.402 3 HG2 PRO 40 HG2 PRO 40 -5.156 1.782 5.456 4 HD2 PRO 40 HD2 PRO 40 -3.119 1.065 4.646 5 HB3 PRO 40 HB1 PRO 40 -4.616 2.535 7.951 6 HG3 PRO 40 HG1 PRO 40 -4.551 3.413 5.804 7 HD3 PRO 40 HD1 PRO 40 -2.936 2.792 4.282 No H/Q in entry = 7 In of MODEL 33 1 HA SER 41 HA SER 41 -0.512 0.059 10.166 2 HB2 SER 41 HB2 SER 41 0.041 2.119 11.416 3 HG SER 41 HG SER 41 0.674 0.115 12.312 4 H SER 41 HN SER 41 -2.222 2.396 9.945 5 HB3 SER 41 HB1 SER 41 -1.473 1.973 12.308 No H/Q in entry = 5 In of MODEL 33 1 HA TYR 42 HA TYR 42 -4.273 -1.455 12.385 2 HB2 TYR 42 HB2 TYR 42 -6.534 -0.443 12.799 3 HD1 TYR 42 HD1 TYR 42 -7.813 0.389 10.895 4 HD2 TYR 42 HD2 TYR 42 -4.617 2.657 12.552 5 HE1 TYR 42 HE1 TYR 42 -8.610 2.379 9.691 6 HE2 TYR 42 HE2 TYR 42 -5.406 4.654 11.353 7 HH TYR 42 HH TYR 42 -7.709 5.446 10.409 8 H TYR 42 HN TYR 42 -3.772 1.049 10.968 9 HB3 TYR 42 HB1 TYR 42 -5.190 0.485 13.456 No H/Q in entry = 9 In of MODEL 33 1 HA PRO 43 HA PRO 43 -6.114 -3.453 8.909 2 HB2 PRO 43 HB2 PRO 43 -7.906 -5.076 10.139 3 HG2 PRO 43 HG2 PRO 43 -7.927 -4.098 12.245 4 HD2 PRO 43 HD2 PRO 43 -6.283 -2.632 12.922 5 HB3 PRO 43 HB1 PRO 43 -6.163 -5.366 10.184 6 HG3 PRO 43 HG1 PRO 43 -6.622 -5.280 12.463 7 HD3 PRO 43 HD1 PRO 43 -4.974 -3.673 12.325 No H/Q in entry = 7 In of MODEL 33 1 HA3 GLY 44 HA2 GLY 44 -10.442 -2.081 8.969 2 H GLY 44 HN GLY 44 -8.604 -4.302 8.427 3 HA2 GLY 44 HA1 GLY 44 -10.065 -2.455 7.294 No H/Q in entry = 3 In of MODEL 33 1 HA ASN 45 HA ASN 45 -12.262 -6.353 8.880 2 HB2 ASN 45 HB2 ASN 45 -12.329 -5.314 11.685 3 HD21 ASN 45 HD21 ASN 45 -12.946 -8.508 11.639 4 HD22 ASN 45 HD22 ASN 45 -11.334 -9.128 11.683 5 H ASN 45 HN ASN 45 -10.981 -4.259 10.234 6 HB3 ASN 45 HB1 ASN 45 -13.515 -6.520 11.195 No H/Q in entry = 6 In of MODEL 33 1 HA3 GLY 46 HA2 GLY 46 -16.449 -4.384 9.639 2 H GLY 46 HN GLY 46 -13.947 -3.933 10.884 3 HA2 GLY 46 HA1 GLY 46 -16.052 -3.033 10.690 No H/Q in entry = 3 In of MODEL 34 1 H1 ALA 1 HT3 ALA 1 14.124 9.620 3.512 2 H2 ALA 1 HT2 ALA 1 14.783 11.155 3.116 3 H3 ALA 1 HT1 ALA 1 13.543 11.030 4.296 4 HA ALA 1 HA ALA 1 11.974 10.392 2.712 5 HB2 ALA 1 HB1 ALA 1 11.681 12.430 1.692 6 HB1 ALA 1 HB2 ALA 1 13.395 12.613 1.320 7 HB3 ALA 1 HB3 ALA 1 12.821 12.852 2.970 No H/Q in entry = 7 In of MODEL 34 1 HA MET 2 HA MET 2 13.976 7.904 -0.360 2 HB2 MET 2 HB2 MET 2 11.108 7.107 -0.010 3 H MET 2 HN MET 2 11.929 8.666 1.414 4 HG2 MET 2 HG2 MET 2 13.341 6.222 1.217 5 HE3 MET 2 HE1 MET 2 12.696 2.776 0.769 6 HB3 MET 2 HB1 MET 2 12.017 6.513 -1.392 7 HE2 MET 2 HE2 MET 2 12.991 2.325 -0.910 8 HE1 MET 2 HE3 MET 2 11.602 3.331 -0.499 9 HG3 MET 2 HG1 MET 2 11.881 5.262 0.985 No H/Q in entry = 9 In of MODEL 34 1 HA ASP 3 HA ASP 3 13.136 10.537 -3.698 2 HB2 ASP 3 HB2 ASP 3 14.952 8.399 -4.826 3 H ASP 3 HN ASP 3 14.270 8.190 -2.532 4 HB3 ASP 3 HB1 ASP 3 14.481 9.848 -5.709 No H/Q in entry = 4 In of MODEL 34 1 HA CYS 4 HA CYS 4 10.916 7.827 -6.705 2 HB2 CYS 4 HB2 CYS 4 12.800 6.549 -7.657 3 H CYS 4 HN CYS 4 13.307 7.315 -5.194 4 HB3 CYS 4 HB1 CYS 4 12.547 5.290 -6.452 No H/Q in entry = 4 In of MODEL 34 1 HA THR 5 HA THR 5 8.103 5.949 -4.023 2 HB THR 5 HB THR 5 6.114 4.955 -5.509 3 HG1 THR 5 HG1 THR 5 7.481 5.242 -7.426 4 HG23 THR 5 HG21 THR 5 5.826 6.901 -4.126 5 HG22 THR 5 HG22 THR 5 5.175 7.214 -5.736 6 HG21 THR 5 HG23 THR 5 6.737 7.888 -5.269 7 H THR 5 HN THR 5 9.026 6.462 -6.686 No H/Q in entry = 7 In of MODEL 34 1 HA THR 6 HA THR 6 8.659 1.619 -4.294 2 HB THR 6 HB THR 6 11.004 1.058 -3.189 3 HG1 THR 6 HG1 THR 6 12.298 2.710 -2.957 4 HG22 THR 6 HG21 THR 6 12.133 1.447 -5.319 5 HG21 THR 6 HG22 THR 6 10.763 2.415 -5.862 6 HG23 THR 6 HG23 THR 6 10.554 0.694 -5.537 7 H THR 6 HN THR 6 9.194 4.254 -3.113 No H/Q in entry = 7 In of MODEL 34 1 HA3 GLY 7 HA2 GLY 7 8.864 -0.408 -0.229 2 H GLY 7 HN GLY 7 8.401 -0.082 -2.814 3 HA2 GLY 7 HA1 GLY 7 7.609 0.820 -0.151 No H/Q in entry = 3 In of MODEL 34 1 HA PRO 8 HA PRO 8 5.417 -3.226 -0.053 2 HB2 PRO 8 HB2 PRO 8 3.473 -2.432 1.655 3 HG2 PRO 8 HG2 PRO 8 4.036 -0.189 1.869 4 HD2 PRO 8 HD2 PRO 8 6.092 0.613 1.217 5 HB3 PRO 8 HB1 PRO 8 5.059 -2.983 2.207 6 HG3 PRO 8 HG1 PRO 8 4.989 -0.879 3.196 7 HD3 PRO 8 HD1 PRO 8 6.970 -0.695 2.036 No H/Q in entry = 7 In of MODEL 34 1 HA CYS 9 HA CYS 9 1.885 -0.967 -1.961 2 HB2 CYS 9 HB2 CYS 9 1.753 0.843 -0.067 3 H CYS 9 HN CYS 9 4.142 0.052 -0.398 4 HB3 CYS 9 HB1 CYS 9 2.290 1.935 -1.338 No H/Q in entry = 4 In of MODEL 34 1 HA CYS 10 HA CYS 10 4.164 0.619 -5.389 2 HB2 CYS 10 HB2 CYS 10 6.813 0.318 -3.959 3 H CYS 10 HN CYS 10 4.619 -1.004 -2.985 4 HB3 CYS 10 HB1 CYS 10 6.578 1.123 -5.506 No H/Q in entry = 4 In of MODEL 34 1 HA ARG 11 HA ARG 11 5.141 -3.284 -7.090 2 HB2 ARG 11 HB2 ARG 11 3.088 -2.673 -8.286 3 HG2 ARG 11 HG2 ARG 11 4.776 -3.424 -10.580 4 HD2 ARG 11 HD2 ARG 11 2.183 -4.117 -9.373 5 HE ARG 11 HE ARG 11 2.515 -6.360 -9.526 6 HH11 ARG 11 HH11 ARG 11 4.440 -4.816 -11.994 7 HH12 ARG 11 HH12 ARG 11 5.000 -6.310 -12.667 8 HH21 ARG 11 HH21 ARG 11 3.251 -8.325 -10.410 9 HH22 ARG 11 HH22 ARG 11 4.325 -8.302 -11.769 10 H ARG 11 HN ARG 11 4.342 -0.498 -7.227 11 HB3 ARG 11 HB1 ARG 11 4.020 -1.665 -9.384 12 HG3 ARG 11 HG1 ARG 11 4.851 -4.489 -9.175 13 HD3 ARG 11 HD1 ARG 11 2.649 -3.995 -11.069 No H/Q in entry = 13 In of MODEL 34 1 HA GLN 12 HA GLN 12 8.595 -1.713 -9.599 2 HB2 GLN 12 HB2 GLN 12 7.001 -2.258 -11.603 3 HG2 GLN 12 HG2 GLN 12 9.604 -0.912 -12.266 4 HE21 GLN 12 HE21 GLN 12 10.098 -3.802 -13.225 5 HE22 GLN 12 HE22 GLN 12 9.374 -3.820 -14.794 6 H GLN 12 HN GLN 12 5.801 -0.779 -9.537 7 HB3 GLN 12 HB1 GLN 12 7.261 -0.571 -12.027 8 HG3 GLN 12 HG1 GLN 12 9.492 -2.537 -11.592 No H/Q in entry = 8 In of MODEL 34 1 HA CYS 13 HA CYS 13 9.463 2.142 -7.365 2 HB2 CYS 13 HB2 CYS 13 10.813 1.531 -9.653 3 H CYS 13 HN CYS 13 8.746 0.068 -7.961 4 HB3 CYS 13 HB1 CYS 13 10.044 3.047 -10.110 No H/Q in entry = 4 In of MODEL 34 1 HA LYS 14 HA LYS 14 6.002 4.561 -8.593 2 HB2 LYS 14 HB2 LYS 14 4.013 3.750 -9.904 3 HG2 LYS 14 HG2 LYS 14 4.750 1.438 -11.043 4 HD2 LYS 14 HD2 LYS 14 3.181 0.459 -9.074 5 HE2 LYS 14 HE2 LYS 14 2.563 0.512 -11.409 6 HZ3 LYS 14 HZ1 LYS 14 1.853 3.369 -11.059 7 HZ2 LYS 14 HZ2 LYS 14 1.783 2.457 -12.481 8 HZ1 LYS 14 HZ3 LYS 14 3.281 2.851 -11.804 9 H LYS 14 HN LYS 14 6.685 1.767 -8.025 10 HB3 LYS 14 HB1 LYS 14 5.569 3.496 -10.683 11 HG3 LYS 14 HG1 LYS 14 5.304 1.151 -9.392 12 HD3 LYS 14 HD1 LYS 14 2.853 2.186 -8.917 13 HE3 LYS 14 HE1 LYS 14 1.256 1.176 -10.429 No H/Q in entry = 13 In of MODEL 34 1 HA LEU 15 HA LEU 15 3.088 3.693 -5.458 2 HB2 LEU 15 HB2 LEU 15 3.194 6.288 -6.048 3 HG LEU 15 HG LEU 15 2.772 5.378 -3.763 4 HD12 LEU 15 HD11 LEU 15 1.123 7.379 -3.195 5 HD11 LEU 15 HD12 LEU 15 1.528 7.839 -4.848 6 HD13 LEU 15 HD13 LEU 15 2.806 7.645 -3.648 7 HD22 LEU 15 HD21 LEU 15 0.873 3.993 -4.108 8 HD21 LEU 15 HD22 LEU 15 -0.066 5.333 -4.767 9 HD23 LEU 15 HD23 LEU 15 0.361 5.312 -3.056 10 H LEU 15 HN LEU 15 3.585 4.924 -8.072 11 HB3 LEU 15 HB1 LEU 15 1.504 6.016 -6.427 No H/Q in entry = 11 In of MODEL 34 1 HA LYS 16 HA LYS 16 -0.121 1.395 -7.309 2 HB2 LYS 16 HB2 LYS 16 0.013 0.888 -4.383 3 HG2 LYS 16 HG2 LYS 16 -0.415 -1.187 -6.476 4 HD2 LYS 16 HD2 LYS 16 1.146 -1.024 -3.903 5 HE2 LYS 16 HE2 LYS 16 0.753 -3.618 -5.240 6 HZ3 LYS 16 HZ1 LYS 16 3.260 -3.587 -4.535 7 HZ2 LYS 16 HZ2 LYS 16 2.039 -3.832 -3.390 8 HZ1 LYS 16 HZ3 LYS 16 2.753 -2.308 -3.550 9 H LYS 16 HN LYS 16 1.466 2.312 -5.168 10 HB3 LYS 16 HB1 LYS 16 -1.466 0.421 -5.210 11 HG3 LYS 16 HG1 LYS 16 1.167 -0.420 -6.327 12 HD3 LYS 16 HD1 LYS 16 -0.335 -1.937 -4.197 13 HE3 LYS 16 HE1 LYS 16 1.909 -2.532 -6.009 No H/Q in entry = 13 In of MODEL 34 1 HA PRO 17 HA PRO 17 -3.640 4.041 -7.306 2 HB2 PRO 17 HB2 PRO 17 -5.700 2.320 -7.708 3 HG2 PRO 17 HG2 PRO 17 -4.633 0.322 -7.203 4 HD2 PRO 17 HD2 PRO 17 -2.336 0.161 -7.096 5 HB3 PRO 17 HB1 PRO 17 -4.536 2.735 -8.971 6 HG3 PRO 17 HG1 PRO 17 -4.298 0.422 -8.942 7 HD3 PRO 17 HD1 PRO 17 -2.106 1.056 -8.611 No H/Q in entry = 7 In of MODEL 34 1 HA ALA 18 HA ALA 18 -5.141 4.211 -3.242 2 HB2 ALA 18 HB1 ALA 18 -6.677 5.958 -2.905 3 HB3 ALA 18 HB2 ALA 18 -7.313 5.827 -4.544 4 HB1 ALA 18 HB3 ALA 18 -5.692 6.468 -4.276 5 H ALA 18 HN ALA 18 -5.120 4.936 -5.941 No H/Q in entry = 5 In of MODEL 34 1 HA3 GLY 19 HA2 GLY 19 -8.260 1.489 -1.923 2 H GLY 19 HN GLY 19 -5.888 2.301 -2.548 3 HA2 GLY 19 HA1 GLY 19 -8.415 1.285 -3.661 No H/Q in entry = 3 In of MODEL 34 1 HA THR 20 HA THR 20 -5.987 -2.339 -3.538 2 HB THR 20 HB THR 20 -3.476 -0.837 -4.306 3 HG1 THR 20 HG1 THR 20 -5.495 -2.030 -5.898 4 HG21 THR 20 HG21 THR 20 -3.294 -3.299 -3.556 5 HG23 THR 20 HG22 THR 20 -2.537 -2.796 -5.068 6 HG22 THR 20 HG23 THR 20 -4.081 -3.649 -5.095 7 H THR 20 HN THR 20 -5.579 0.462 -3.905 No H/Q in entry = 7 In of MODEL 34 1 HA THR 21 HA THR 21 -4.487 -2.864 0.473 2 HB THR 21 HB THR 21 -3.724 -5.134 0.935 3 HG1 THR 21 HG1 THR 21 -3.635 -5.374 -1.886 4 HG21 THR 21 HG21 THR 21 -6.064 -4.906 -0.915 5 HG23 THR 21 HG22 THR 21 -6.047 -5.123 0.835 6 HG22 THR 21 HG23 THR 21 -5.574 -6.453 -0.223 7 H THR 21 HN THR 21 -4.975 -3.753 -2.132 No H/Q in entry = 7 In of MODEL 34 1 HA CYS 22 HA CYS 22 -0.283 -1.841 0.270 2 HB2 CYS 22 HB2 CYS 22 -0.976 -0.811 2.377 3 H CYS 22 HN CYS 22 -2.514 -2.978 1.728 4 HB3 CYS 22 HB1 CYS 22 -0.673 -2.319 3.231 No H/Q in entry = 4 In of MODEL 34 1 HA TRP 23 HA TRP 23 1.218 -6.090 0.673 2 HB2 TRP 23 HB2 TRP 23 2.209 -6.852 2.642 3 HD1 TRP 23 HD1 TRP 23 1.617 -8.572 4.423 4 HE1 TRP 23 HE1 TRP 23 -0.106 -8.752 6.325 5 HE3 TRP 23 HE3 TRP 23 -0.935 -4.215 3.624 6 HZ2 TRP 23 HZ2 TRP 23 -2.262 -7.247 7.352 7 HZ3 TRP 23 HZ3 TRP 23 -2.814 -3.660 5.110 8 HH2 TRP 23 HH2 TRP 23 -3.463 -5.146 6.935 9 H TRP 23 HN TRP 23 -1.150 -4.854 1.768 10 HB3 TRP 23 HB1 TRP 23 1.747 -5.206 3.055 No H/Q in entry = 10 In of MODEL 34 1 HA ARG 24 HA ARG 24 -1.991 -9.004 0.126 2 HB2 ARG 24 HB2 ARG 24 0.435 -9.747 -1.428 3 HG2 ARG 24 HG2 ARG 24 -1.651 -10.186 -3.057 4 HD2 ARG 24 HD2 ARG 24 -1.406 -7.571 -3.486 5 HE ARG 24 HE ARG 24 1.059 -8.741 -4.191 6 HH11 ARG 24 HH11 ARG 24 -2.372 -9.157 -4.676 7 HH12 ARG 24 HH12 ARG 24 -2.188 -9.923 -6.218 8 HH21 ARG 24 HH21 ARG 24 1.303 -9.748 -6.219 9 HH22 ARG 24 HH22 ARG 24 -0.102 -10.259 -7.094 10 H ARG 24 HN ARG 24 0.604 -7.927 -0.234 11 HB3 ARG 24 HB1 ARG 24 -0.770 -10.999 -1.162 12 HG3 ARG 24 HG1 ARG 24 -2.355 -8.979 -1.979 13 HD3 ARG 24 HD1 ARG 24 -0.015 -7.796 -2.426 No H/Q in entry = 13 In of MODEL 34 1 HA THR 25 HA THR 25 -0.828 -12.602 2.517 2 HB THR 25 HB THR 25 -2.025 -12.197 4.731 3 HG1 THR 25 HG1 THR 25 -2.932 -10.098 4.923 4 HG22 THR 25 HG21 THR 25 -0.478 -9.802 3.804 5 HG21 THR 25 HG22 THR 25 0.282 -11.347 4.183 6 HG23 THR 25 HG23 THR 25 -0.598 -10.467 5.432 7 H THR 25 HN THR 25 -2.664 -10.919 1.088 No H/Q in entry = 7 In of MODEL 34 1 HA SER 26 HA SER 26 -5.068 -14.110 1.210 2 HB2 SER 26 HB2 SER 26 -6.143 -15.100 3.050 3 HG SER 26 HG SER 26 -5.915 -13.706 5.139 4 H SER 26 HN SER 26 -4.197 -11.610 2.126 5 HB3 SER 26 HB1 SER 26 -4.596 -14.570 3.710 No H/Q in entry = 5 In of MODEL 34 1 HA VAL 27 HA VAL 27 -8.021 -10.635 1.022 2 HB VAL 27 HB VAL 27 -9.220 -11.973 2.695 3 H VAL 27 HN VAL 27 -5.937 -11.178 2.955 No H/Q in entry = 3 In of MODEL 34 1 HA SER 28 HA SER 28 -5.773 -7.627 4.821 2 HB2 SER 28 HB2 SER 28 -4.480 -7.588 2.734 3 HG SER 28 HG SER 28 -3.957 -5.603 3.150 4 H SER 28 HN SER 28 -6.486 -9.646 4.051 5 HB3 SER 28 HB1 SER 28 -5.855 -6.879 1.887 No H/Q in entry = 5 In of MODEL 34 1 HA SER 29 HA SER 29 -8.937 -4.451 4.040 2 HB2 SER 29 HB2 SER 29 -8.678 -5.584 6.789 3 HG SER 29 HG SER 29 -11.144 -5.543 5.878 4 H SER 29 HN SER 29 -6.381 -5.288 5.026 5 HB3 SER 29 HB1 SER 29 -9.717 -4.177 6.567 No H/Q in entry = 5 In of MODEL 34 1 HA HIS 30 HA HIS 30 -6.566 -1.029 5.703 2 HB2 HIS 30 HB2 HIS 30 -4.134 -2.315 4.458 3 HD1 HIS 30 HD1 HIS 30 -2.272 -2.154 6.719 4 HD2 HIS 30 HD2 HIS 30 -6.309 -2.946 7.302 5 HE1 HIS 30 HE1 HIS 30 -2.418 -3.290 8.958 6 HE2 HIS 30 HE2 HIS 30 -4.860 -3.837 9.250 7 H HIS 30 HN HIS 30 -6.324 -3.390 3.957 8 HB3 HIS 30 HB1 HIS 30 -4.101 -0.725 5.212 No H/Q in entry = 8 In of MODEL 34 1 HA TYR 31 HA TYR 31 -5.366 -0.901 0.477 2 HB2 TYR 31 HB2 TYR 31 -7.600 0.810 1.565 3 HD1 TYR 31 HD1 TYR 31 -7.121 -2.389 -0.321 4 HD2 TYR 31 HD2 TYR 31 -9.450 -0.195 2.482 5 HE1 TYR 31 HE1 TYR 31 -8.635 -4.312 -0.083 6 HE2 TYR 31 HE2 TYR 31 -10.971 -2.112 2.728 7 HH TYR 31 HH TYR 31 -10.235 -5.188 1.687 8 H TYR 31 HN TYR 31 -5.312 -1.953 2.492 9 HB3 TYR 31 HB1 TYR 31 -7.296 0.361 -0.110 No H/Q in entry = 9 In of MODEL 34 1 HA CYS 32 HA CYS 32 -3.195 2.793 1.222 2 HB2 CYS 32 HB2 CYS 32 -2.796 1.877 -1.580 3 H CYS 32 HN CYS 32 -4.526 0.917 -0.564 4 HB3 CYS 32 HB1 CYS 32 -2.257 3.504 -1.179 No H/Q in entry = 4 In of MODEL 34 1 HA THR 33 HA THR 33 -5.688 6.048 -0.303 2 HB THR 33 HB THR 33 -5.004 8.186 0.653 3 HG1 THR 33 HG1 THR 33 -2.963 8.507 1.420 4 HG23 THR 33 HG21 THR 33 -4.728 7.606 2.944 5 HG22 THR 33 HG22 THR 33 -4.111 6.009 2.521 6 HG21 THR 33 HG23 THR 33 -5.798 6.415 2.204 7 H THR 33 HN THR 33 -2.983 5.103 0.342 No H/Q in entry = 7 In of MODEL 34 1 HA3 GLY 34 HA2 GLY 34 -1.820 6.382 -3.673 2 H GLY 34 HN GLY 34 -2.356 6.127 -1.354 3 HA2 GLY 34 HA1 GLY 34 -3.250 7.388 -3.856 No H/Q in entry = 3 In of MODEL 34 1 HA ARG 35 HA ARG 35 -0.217 10.378 -2.359 2 HB2 ARG 35 HB2 ARG 35 -1.592 10.115 -0.085 3 HG2 ARG 35 HG2 ARG 35 -0.462 12.212 -1.227 4 HD2 ARG 35 HD2 ARG 35 1.102 11.918 1.331 5 HE ARG 35 HE ARG 35 1.840 13.943 -0.569 6 HH11 ARG 35 HH11 ARG 35 -0.160 13.206 2.195 7 HH12 ARG 35 HH12 ARG 35 -0.299 14.859 2.692 8 HH21 ARG 35 HH21 ARG 35 1.658 16.118 0.084 9 HH22 ARG 35 HH22 ARG 35 0.733 16.512 1.494 10 H ARG 35 HN ARG 35 -1.068 7.819 -1.175 11 HB3 ARG 35 HB1 ARG 35 0.026 9.896 0.567 12 HG3 ARG 35 HG1 ARG 35 -1.097 12.271 0.418 13 HD3 ARG 35 HD1 ARG 35 1.773 11.671 -0.280 No H/Q in entry = 13 In of MODEL 34 1 HA SER 36 HA SER 36 3.485 7.730 -1.770 2 HB2 SER 36 HB2 SER 36 3.248 9.199 0.451 3 HG SER 36 HG SER 36 5.517 8.603 0.843 4 H SER 36 HN SER 36 0.844 7.469 -0.726 5 HB3 SER 36 HB1 SER 36 3.551 7.634 1.205 No H/Q in entry = 5 In of MODEL 34 1 HA CYS 37 HA CYS 37 3.523 3.481 -1.058 2 HB2 CYS 37 HB2 CYS 37 6.102 4.240 -1.487 3 H CYS 37 HN CYS 37 4.936 5.943 -0.792 4 HB3 CYS 37 HB1 CYS 37 6.260 3.382 0.041 No H/Q in entry = 4 In of MODEL 34 1 HA GLU 38 HA GLU 38 4.562 3.336 3.604 2 HB2 GLU 38 HB2 GLU 38 4.791 6.303 3.599 3 HG2 GLU 38 HG2 GLU 38 6.265 4.149 5.098 4 H GLU 38 HN GLU 38 4.717 5.362 1.631 5 HB3 GLU 38 HB1 GLU 38 4.249 5.535 5.086 6 HG3 GLU 38 HG1 GLU 38 6.810 4.940 3.620 No H/Q in entry = 6 In of MODEL 34 1 HA CYS 39 HA CYS 39 0.122 3.608 3.590 2 HB2 CYS 39 HB2 CYS 39 -0.813 1.321 3.973 3 H CYS 39 HN CYS 39 2.658 2.242 3.664 4 HB3 CYS 39 HB1 CYS 39 0.246 1.430 2.572 No H/Q in entry = 4 In of MODEL 34 1 HA PRO 40 HA PRO 40 -0.383 4.273 7.922 2 HB2 PRO 40 HB2 PRO 40 -3.082 4.137 8.152 3 HG2 PRO 40 HG2 PRO 40 -3.591 3.149 6.113 4 HD2 PRO 40 HD2 PRO 40 -2.071 3.074 4.384 5 HB3 PRO 40 HB1 PRO 40 -2.254 5.502 7.393 6 HG3 PRO 40 HG1 PRO 40 -3.661 4.861 5.655 7 HD3 PRO 40 HD1 PRO 40 -1.628 4.783 4.572 No H/Q in entry = 7 In of MODEL 34 1 HA SER 41 HA SER 41 -1.415 0.402 9.708 2 HB2 SER 41 HB2 SER 41 -1.651 1.718 12.353 3 HG SER 41 HG SER 41 -0.235 3.176 11.582 4 H SER 41 HN SER 41 -1.645 3.326 9.859 5 HB3 SER 41 HB1 SER 41 -0.598 0.400 11.837 No H/Q in entry = 5 In of MODEL 34 1 HA TYR 42 HA TYR 42 -5.555 1.597 11.907 2 HB2 TYR 42 HB2 TYR 42 -5.230 4.185 11.309 3 HD1 TYR 42 HD1 TYR 42 -5.927 4.624 13.499 4 HD2 TYR 42 HD2 TYR 42 -8.589 2.669 10.817 5 HE1 TYR 42 HE1 TYR 42 -7.741 4.850 15.144 6 HE2 TYR 42 HE2 TYR 42 -10.411 2.890 12.455 7 HH TYR 42 HH TYR 42 -10.138 3.303 15.465 8 H TYR 42 HN TYR 42 -3.574 3.018 10.548 9 HB3 TYR 42 HB1 TYR 42 -6.404 3.770 10.064 No H/Q in entry = 9 In of MODEL 34 1 HA PRO 43 HA PRO 43 -6.803 -0.952 8.383 2 HB2 PRO 43 HB2 PRO 43 -8.477 -2.561 9.789 3 HG2 PRO 43 HG2 PRO 43 -8.465 -1.436 11.821 4 HD2 PRO 43 HD2 PRO 43 -6.859 0.137 12.334 5 HB3 PRO 43 HB1 PRO 43 -6.722 -2.771 9.785 6 HG3 PRO 43 HG1 PRO 43 -7.102 -2.544 12.069 7 HD3 PRO 43 HD1 PRO 43 -5.532 -0.886 11.747 No H/Q in entry = 7 In of MODEL 34 1 HA3 GLY 44 HA2 GLY 44 -10.926 0.497 7.938 2 H GLY 44 HN GLY 44 -9.215 -1.902 7.941 3 HA2 GLY 44 HA1 GLY 44 -10.990 -0.791 6.745 No H/Q in entry = 3 In of MODEL 34 1 HA ASN 45 HA ASN 45 -12.291 -2.107 11.744 2 HB2 ASN 45 HB2 ASN 45 -13.828 -0.332 10.810 3 HD21 ASN 45 HD21 ASN 45 -16.374 -2.221 10.452 4 HD22 ASN 45 HD22 ASN 45 -16.797 -2.526 12.099 5 H ASN 45 HN ASN 45 -10.831 -1.232 10.235 6 HB3 ASN 45 HB1 ASN 45 -14.488 -1.566 9.742 No H/Q in entry = 6 In of MODEL 34 1 HA3 GLY 46 HA2 GLY 46 -13.989 -5.117 7.649 2 H GLY 46 HN GLY 46 -13.764 -3.041 8.627 3 HA2 GLY 46 HA1 GLY 46 -12.829 -5.737 8.814 No H/Q in entry = 3 In of MODEL 35 1 H1 ALA 1 HT1 ALA 1 17.608 8.916 2.542 2 H2 ALA 1 HT3 ALA 1 17.120 10.554 2.666 3 H3 ALA 1 HT2 ALA 1 16.328 9.351 3.599 4 HA ALA 1 HA ALA 1 15.236 8.485 1.839 5 HB1 ALA 1 HB1 ALA 1 14.039 10.395 2.132 6 HB2 ALA 1 HB2 ALA 1 14.571 10.661 0.472 7 HB3 ALA 1 HB3 ALA 1 15.419 11.444 1.805 No H/Q in entry = 7 In of MODEL 35 1 HA MET 2 HA MET 2 17.121 8.734 -2.166 2 HB2 MET 2 HB2 MET 2 17.302 6.063 -0.861 3 H MET 2 HN MET 2 15.230 7.688 -0.207 4 HG2 MET 2 HG2 MET 2 18.987 7.914 -0.552 5 HE1 MET 2 HE1 MET 2 21.874 7.698 -1.576 6 HB3 MET 2 HB1 MET 2 17.648 6.154 -2.583 7 HE3 MET 2 HE2 MET 2 21.139 9.274 -1.285 8 HE2 MET 2 HE3 MET 2 21.989 8.964 -2.799 9 HG3 MET 2 HG1 MET 2 19.622 6.343 -1.037 No H/Q in entry = 9 In of MODEL 35 1 HA ASP 3 HA ASP 3 14.262 5.729 -4.447 2 HB2 ASP 3 HB2 ASP 3 13.020 4.550 -1.954 3 H ASP 3 HN ASP 3 15.144 5.788 -1.789 4 HB3 ASP 3 HB1 ASP 3 12.497 4.174 -3.593 No H/Q in entry = 4 In of MODEL 35 1 HA CYS 4 HA CYS 4 11.094 8.703 -4.177 2 HB2 CYS 4 HB2 CYS 4 10.162 9.121 -6.453 3 H CYS 4 HN CYS 4 12.449 6.478 -5.473 4 HB3 CYS 4 HB1 CYS 4 11.922 9.113 -6.406 No H/Q in entry = 4 In of MODEL 35 1 HA THR 5 HA THR 5 7.959 6.378 -1.977 2 HB THR 5 HB THR 5 6.586 6.726 -4.589 3 HG1 THR 5 HG1 THR 5 7.607 8.619 -4.694 4 HG23 THR 5 HG21 THR 5 4.911 6.409 -3.156 5 HG22 THR 5 HG22 THR 5 5.172 8.096 -2.713 6 HG21 THR 5 HG23 THR 5 5.904 6.809 -1.755 7 H THR 5 HN THR 5 9.868 7.386 -2.692 No H/Q in entry = 7 In of MODEL 35 1 HA THR 6 HA THR 6 7.934 2.465 -3.914 2 HB THR 6 HB THR 6 10.092 1.246 -3.988 3 HG1 THR 6 HG1 THR 6 10.972 3.472 -2.480 4 HG23 THR 6 HG21 THR 6 10.102 2.449 -5.888 5 HG22 THR 6 HG22 THR 6 11.419 3.293 -5.073 6 HG21 THR 6 HG23 THR 6 9.793 3.974 -5.057 7 H THR 6 HN THR 6 9.067 4.344 -1.966 No H/Q in entry = 7 In of MODEL 35 1 HA3 GLY 7 HA2 GLY 7 8.287 -0.658 -0.710 2 H GLY 7 HN GLY 7 7.379 0.474 -3.103 3 HA2 GLY 7 HA1 GLY 7 6.851 0.284 -0.340 No H/Q in entry = 3 In of MODEL 35 1 HA PRO 8 HA PRO 8 5.373 -3.930 -1.499 2 HB2 PRO 8 HB2 PRO 8 3.331 -3.977 0.288 3 HG2 PRO 8 HG2 PRO 8 3.555 -1.845 1.181 4 HD2 PRO 8 HD2 PRO 8 5.469 -0.596 0.886 5 HB3 PRO 8 HB1 PRO 8 4.985 -4.433 0.711 6 HG3 PRO 8 HG1 PRO 8 4.612 -2.755 2.277 7 HD3 PRO 8 HD1 PRO 8 6.535 -1.958 1.287 No H/Q in entry = 7 In of MODEL 35 1 HA CYS 9 HA CYS 9 1.436 -1.727 -2.666 2 HB2 CYS 9 HB2 CYS 9 1.551 -0.020 -0.612 3 H CYS 9 HN CYS 9 3.705 -0.873 -1.066 4 HB3 CYS 9 HB1 CYS 9 1.812 1.130 -1.920 No H/Q in entry = 4 In of MODEL 35 1 HA CYS 10 HA CYS 10 3.239 1.695 -5.465 2 HB2 CYS 10 HB2 CYS 10 5.977 1.851 -4.200 3 H CYS 10 HN CYS 10 3.854 0.892 -2.856 4 HB3 CYS 10 HB1 CYS 10 5.302 2.910 -5.433 No H/Q in entry = 4 In of MODEL 35 1 HA ARG 11 HA ARG 11 5.481 -1.388 -7.613 2 HB2 ARG 11 HB2 ARG 11 3.643 0.108 -9.435 3 HG2 ARG 11 HG2 ARG 11 3.087 -1.907 -7.834 4 HD2 ARG 11 HD2 ARG 11 3.044 -3.902 -9.620 5 HE ARG 11 HE ARG 11 4.805 -3.343 -7.420 6 HH11 ARG 11 HH11 ARG 11 4.009 -5.627 -9.936 7 HH12 ARG 11 HH12 ARG 11 4.703 -6.977 -9.103 8 HH21 ARG 11 HH21 ARG 11 5.719 -5.118 -6.324 9 HH22 ARG 11 HH22 ARG 11 5.674 -6.688 -7.052 10 H ARG 11 HN ARG 11 4.178 1.243 -7.465 11 HB3 ARG 11 HB1 ARG 11 4.769 -1.049 -10.131 12 HG3 ARG 11 HG1 ARG 11 2.344 -1.759 -9.428 13 HD3 ARG 11 HD1 ARG 11 4.548 -3.119 -10.101 No H/Q in entry = 13 In of MODEL 35 1 HA GLN 12 HA GLN 12 8.375 1.315 -9.849 2 HB2 GLN 12 HB2 GLN 12 6.431 1.697 -12.118 3 HG2 GLN 12 HG2 GLN 12 8.855 0.107 -12.497 4 HE21 GLN 12 HE21 GLN 12 6.006 -1.626 -11.990 5 HE22 GLN 12 HE22 GLN 12 5.487 -1.738 -13.634 6 H GLN 12 HN GLN 12 5.428 1.392 -9.831 7 HB3 GLN 12 HB1 GLN 12 8.111 2.201 -12.241 8 HG3 GLN 12 HG1 GLN 12 7.735 -0.546 -11.302 No H/Q in entry = 8 In of MODEL 35 1 HA CYS 13 HA CYS 13 8.109 5.035 -7.267 2 HB2 CYS 13 HB2 CYS 13 9.810 5.207 -9.112 3 H CYS 13 HN CYS 13 8.002 2.907 -8.061 4 HB3 CYS 13 HB1 CYS 13 8.539 5.853 -10.145 No H/Q in entry = 4 In of MODEL 35 1 HA LYS 14 HA LYS 14 4.093 6.454 -8.409 2 HB2 LYS 14 HB2 LYS 14 3.999 4.093 -10.163 3 HG2 LYS 14 HG2 LYS 14 3.081 5.671 -11.771 4 HD2 LYS 14 HD2 LYS 14 5.187 7.351 -10.591 5 HE2 LYS 14 HE2 LYS 14 5.464 5.797 -13.108 6 HZ1 LYS 14 HZ1 LYS 14 6.056 8.588 -12.295 7 HZ3 LYS 14 HZ2 LYS 14 6.283 7.994 -13.862 8 HZ2 LYS 14 HZ3 LYS 14 7.173 7.348 -12.576 9 H LYS 14 HN LYS 14 5.552 3.925 -8.102 10 HB3 LYS 14 HB1 LYS 14 2.423 4.686 -9.657 11 HG3 LYS 14 HG1 LYS 14 2.977 6.905 -10.513 12 HD3 LYS 14 HD1 LYS 14 5.623 5.658 -10.831 13 HE3 LYS 14 HE1 LYS 14 4.256 7.081 -13.054 No H/Q in entry = 13 In of MODEL 35 1 HA LEU 15 HA LEU 15 1.965 4.760 -5.022 2 HB2 LEU 15 HB2 LEU 15 1.707 7.430 -5.122 3 HG LEU 15 HG LEU 15 0.127 5.652 -3.262 4 HD12 LEU 15 HD11 LEU 15 2.539 7.067 -2.355 5 HD11 LEU 15 HD12 LEU 15 2.812 5.772 -3.520 6 HD13 LEU 15 HD13 LEU 15 1.977 5.433 -2.004 7 HD21 LEU 15 HD21 LEU 15 -0.473 8.200 -3.558 8 HD23 LEU 15 HD22 LEU 15 0.960 8.418 -2.553 9 HD22 LEU 15 HD23 LEU 15 -0.395 7.458 -1.960 10 H LEU 15 HN LEU 15 2.297 6.665 -7.156 11 HB3 LEU 15 HB1 LEU 15 0.031 6.980 -5.370 No H/Q in entry = 11 In of MODEL 35 1 HA LYS 16 HA LYS 16 -1.129 2.454 -7.018 2 HB2 LYS 16 HB2 LYS 16 -1.115 1.659 -4.115 3 HG2 LYS 16 HG2 LYS 16 0.650 0.899 -5.864 4 HD2 LYS 16 HD2 LYS 16 -1.681 -0.907 -6.502 5 HE2 LYS 16 HE2 LYS 16 1.253 -1.123 -6.982 6 HZ2 LYS 16 HZ1 LYS 16 0.451 -1.106 -9.199 7 HZ1 LYS 16 HZ2 LYS 16 -0.860 -2.104 -8.816 8 HZ3 LYS 16 HZ3 LYS 16 0.712 -2.727 -8.787 9 H LYS 16 HN LYS 16 0.438 3.241 -4.815 10 HB3 LYS 16 HB1 LYS 16 -2.271 0.973 -5.249 11 HG3 LYS 16 HG1 LYS 16 -0.060 -0.277 -4.755 12 HD3 LYS 16 HD1 LYS 16 -0.905 0.228 -7.608 13 HE3 LYS 16 HE1 LYS 16 0.092 -2.375 -6.543 No H/Q in entry = 13 In of MODEL 35 1 HA PRO 17 HA PRO 17 -4.801 4.878 -6.911 2 HB2 PRO 17 HB2 PRO 17 -6.274 2.289 -7.027 3 HG2 PRO 17 HG2 PRO 17 -5.152 1.534 -8.923 4 HD2 PRO 17 HD2 PRO 17 -3.530 1.177 -7.322 5 HB3 PRO 17 HB1 PRO 17 -6.417 3.713 -8.065 6 HG3 PRO 17 HG1 PRO 17 -4.544 3.153 -9.316 7 HD3 PRO 17 HD1 PRO 17 -2.630 2.321 -8.339 No H/Q in entry = 7 In of MODEL 35 1 HA ALA 18 HA ALA 18 -6.013 4.879 -2.748 2 HB2 ALA 18 HB1 ALA 18 -8.061 6.307 -2.421 3 HB3 ALA 18 HB2 ALA 18 -8.103 6.511 -4.172 4 HB1 ALA 18 HB3 ALA 18 -6.715 7.089 -3.251 5 H ALA 18 HN ALA 18 -6.243 5.635 -5.428 No H/Q in entry = 5 In of MODEL 35 1 HA3 GLY 19 HA2 GLY 19 -8.559 1.611 -1.559 2 H GLY 19 HN GLY 19 -6.357 2.637 -2.589 3 HA2 GLY 19 HA1 GLY 19 -9.015 1.617 -3.255 No H/Q in entry = 3 In of MODEL 35 1 HA THR 20 HA THR 20 -6.374 -1.718 -4.276 2 HB THR 20 HB THR 20 -3.711 -0.389 -4.463 3 HG1 THR 20 HG1 THR 20 -4.745 1.190 -5.466 4 HG21 THR 20 HG21 THR 20 -5.115 -2.609 -5.760 5 HG23 THR 20 HG22 THR 20 -3.395 -2.370 -5.449 6 HG22 THR 20 HG23 THR 20 -4.157 -1.591 -6.836 7 H THR 20 HN THR 20 -6.212 1.070 -4.080 No H/Q in entry = 7 In of MODEL 35 1 HA THR 21 HA THR 21 -4.150 -2.833 -0.686 2 HB THR 21 HB THR 21 -3.596 -5.244 -0.682 3 HG1 THR 21 HG1 THR 21 -4.210 -5.142 -3.447 4 HG21 THR 21 HG21 THR 21 -6.166 -4.347 -1.896 5 HG23 THR 21 HG22 THR 21 -5.850 -5.019 -0.296 6 HG22 THR 21 HG23 THR 21 -5.824 -6.067 -1.714 7 H THR 21 HN THR 21 -4.453 -3.161 -3.584 No H/Q in entry = 7 In of MODEL 35 1 HA CYS 22 HA CYS 22 0.220 -3.107 -1.535 2 HB2 CYS 22 HB2 CYS 22 1.349 -2.480 0.664 3 H CYS 22 HN CYS 22 -2.043 -3.976 0.135 4 HB3 CYS 22 HB1 CYS 22 0.067 -1.411 0.106 No H/Q in entry = 4 In of MODEL 35 1 HA TRP 23 HA TRP 23 1.150 -7.131 0.356 2 HB2 TRP 23 HB2 TRP 23 1.736 -5.649 2.486 3 HD1 TRP 23 HD1 TRP 23 3.540 -7.260 0.692 4 HE1 TRP 23 HE1 TRP 23 5.091 -9.119 1.567 5 HE3 TRP 23 HE3 TRP 23 1.147 -8.315 5.085 6 HZ2 TRP 23 HZ2 TRP 23 5.276 -10.808 3.821 7 HZ3 TRP 23 HZ3 TRP 23 2.075 -10.066 6.543 8 HH2 TRP 23 HH2 TRP 23 4.097 -11.286 5.923 9 H TRP 23 HN TRP 23 -0.798 -5.109 1.212 10 HB3 TRP 23 HB1 TRP 23 0.668 -6.801 3.280 No H/Q in entry = 10 In of MODEL 35 1 HA ARG 24 HA ARG 24 -2.691 -9.210 1.258 2 HB2 ARG 24 HB2 ARG 24 -3.255 -7.956 -0.995 3 HG2 ARG 24 HG2 ARG 24 -4.630 -10.518 -0.212 4 HD2 ARG 24 HD2 ARG 24 -6.602 -9.521 -1.285 5 HE ARG 24 HE ARG 24 -5.662 -10.893 -2.889 6 HH11 ARG 24 HH11 ARG 24 -4.010 -7.814 -2.836 7 HH12 ARG 24 HH12 ARG 24 -3.177 -8.098 -4.326 8 HH21 ARG 24 HH21 ARG 24 -4.565 -11.262 -4.847 9 HH22 ARG 24 HH22 ARG 24 -3.491 -10.052 -5.468 10 H ARG 24 HN ARG 24 -0.760 -8.069 -0.629 11 HB3 ARG 24 HB1 ARG 24 -2.933 -9.533 -1.703 12 HG3 ARG 24 HG1 ARG 24 -4.984 -8.905 0.410 13 HD3 ARG 24 HD1 ARG 24 -5.605 -8.184 -1.854 No H/Q in entry = 13 In of MODEL 35 1 HA THR 25 HA THR 25 -1.124 -13.163 0.187 2 HB THR 25 HB THR 25 0.077 -13.981 2.425 3 HG1 THR 25 HG1 THR 25 -0.675 -12.203 3.648 4 HG21 THR 25 HG21 THR 25 1.070 -13.205 0.154 5 HG23 THR 25 HG22 THR 25 2.088 -13.264 1.593 6 HG22 THR 25 HG23 THR 25 1.433 -11.723 1.039 7 H THR 25 HN THR 25 -2.183 -11.141 2.038 No H/Q in entry = 7 In of MODEL 35 1 HA SER 26 HA SER 26 -5.633 -13.788 1.917 2 HB2 SER 26 HB2 SER 26 -3.701 -16.086 1.579 3 HG SER 26 HG SER 26 -4.614 -16.281 -0.346 4 H SER 26 HN SER 26 -3.822 -12.647 1.151 5 HB3 SER 26 HB1 SER 26 -5.390 -16.312 2.031 No H/Q in entry = 5 In of MODEL 35 1 HA VAL 27 HA VAL 27 -5.451 -13.931 6.208 2 HB VAL 27 HB VAL 27 -3.173 -14.805 5.934 3 H VAL 27 HN VAL 27 -4.903 -12.450 3.900 No H/Q in entry = 3 In of MODEL 35 1 HA SER 28 HA SER 28 -5.271 -9.448 6.857 2 HB2 SER 28 HB2 SER 28 -2.353 -9.510 6.273 3 HG SER 28 HG SER 28 -2.920 -10.137 8.293 4 H SER 28 HN SER 28 -3.843 -11.092 4.883 5 HB3 SER 28 HB1 SER 28 -3.089 -7.931 6.546 No H/Q in entry = 5 In of MODEL 35 1 HA SER 29 HA SER 29 -4.982 -6.531 3.367 2 HB2 SER 29 HB2 SER 29 -7.784 -6.533 4.512 3 HG SER 29 HG SER 29 -6.800 -8.220 2.471 4 H SER 29 HN SER 29 -5.273 -7.085 6.168 5 HB3 SER 29 HB1 SER 29 -7.317 -6.109 2.865 No H/Q in entry = 5 In of MODEL 35 1 HA HIS 30 HA HIS 30 -4.706 -2.938 6.086 2 HB2 HIS 30 HB2 HIS 30 -2.154 -3.081 4.479 3 HD1 HIS 30 HD1 HIS 30 -0.059 -3.230 6.201 4 HD2 HIS 30 HD2 HIS 30 -3.789 -4.305 7.685 5 HE1 HIS 30 HE1 HIS 30 0.404 -4.553 8.288 6 HE2 HIS 30 HE2 HIS 30 -1.864 -5.266 9.121 7 H HIS 30 HN HIS 30 -3.629 -4.924 4.337 8 HB3 HIS 30 HB1 HIS 30 -2.552 -1.721 5.523 No H/Q in entry = 8 In of MODEL 35 1 HA TYR 31 HA TYR 31 -5.120 -2.046 0.875 2 HB2 TYR 31 HB2 TYR 31 -6.929 -1.170 3.096 3 HD1 TYR 31 HD1 TYR 31 -8.788 -2.528 3.290 4 HD2 TYR 31 HD2 TYR 31 -6.697 -2.431 -0.413 5 HE1 TYR 31 HE1 TYR 31 -10.255 -4.300 2.422 6 HE2 TYR 31 HE2 TYR 31 -8.158 -4.203 -1.292 7 HH TYR 31 HH TYR 31 -9.961 -6.163 0.512 8 H TYR 31 HN TYR 31 -4.358 -3.278 2.627 9 HB3 TYR 31 HB1 TYR 31 -7.005 -0.341 1.545 No H/Q in entry = 9 In of MODEL 35 1 HA CYS 32 HA CYS 32 -3.238 1.896 1.345 2 HB2 CYS 32 HB2 CYS 32 -3.189 0.901 -1.457 3 H CYS 32 HN CYS 32 -4.971 0.037 -0.146 4 HB3 CYS 32 HB1 CYS 32 -2.725 2.578 -1.194 No H/Q in entry = 4 In of MODEL 35 1 HA THR 33 HA THR 33 -6.580 4.656 0.815 2 HB THR 33 HB THR 33 -6.284 6.611 2.147 3 HG1 THR 33 HG1 THR 33 -3.517 6.027 2.016 4 HG23 THR 33 HG21 THR 33 -6.417 5.414 3.995 5 HG22 THR 33 HG22 THR 33 -4.656 5.322 4.034 6 HG21 THR 33 HG23 THR 33 -5.587 4.064 3.221 7 H THR 33 HN THR 33 -3.996 3.869 1.722 No H/Q in entry = 7 In of MODEL 35 1 HA3 GLY 34 HA2 GLY 34 -2.830 5.987 -2.447 2 H GLY 34 HN GLY 34 -3.306 5.326 -0.203 3 HA2 GLY 34 HA1 GLY 34 -4.395 6.783 -2.511 No H/Q in entry = 3 In of MODEL 35 1 HA ARG 35 HA ARG 35 -1.825 9.960 -0.590 2 HB2 ARG 35 HB2 ARG 35 -2.321 8.704 2.086 3 HG2 ARG 35 HG2 ARG 35 -3.495 10.925 0.499 4 HD2 ARG 35 HD2 ARG 35 -3.035 10.944 3.417 5 HE ARG 35 HE ARG 35 -5.651 10.766 2.690 6 HH11 ARG 35 HH11 ARG 35 -3.663 13.298 4.036 7 HH12 ARG 35 HH12 ARG 35 -4.971 14.041 4.893 8 HH21 ARG 35 HH21 ARG 35 -7.373 11.742 3.816 9 HH22 ARG 35 HH22 ARG 35 -7.077 13.158 4.769 10 H ARG 35 HN ARG 35 -2.295 7.173 0.239 11 HB3 ARG 35 HB1 ARG 35 -1.430 10.216 1.981 12 HG3 ARG 35 HG1 ARG 35 -4.291 9.653 1.428 13 HD3 ARG 35 HD1 ARG 35 -3.261 12.285 2.296 No H/Q in entry = 13 In of MODEL 35 1 HA SER 36 HA SER 36 2.244 7.972 -0.107 2 HB2 SER 36 HB2 SER 36 1.626 8.628 2.432 3 HG SER 36 HG SER 36 3.876 8.623 2.796 4 H SER 36 HN SER 36 -0.368 7.058 0.727 5 HB3 SER 36 HB1 SER 36 2.236 6.994 2.694 No H/Q in entry = 5 In of MODEL 35 1 HA CYS 37 HA CYS 37 2.931 3.755 -0.658 2 HB2 CYS 37 HB2 CYS 37 5.339 4.968 -0.762 3 H CYS 37 HN CYS 37 3.925 6.217 0.382 4 HB3 CYS 37 HB1 CYS 37 5.644 3.817 0.535 No H/Q in entry = 4 In of MODEL 35 1 HA GLU 38 HA GLU 38 3.952 2.427 3.827 2 HB2 GLU 38 HB2 GLU 38 4.815 4.568 4.755 3 HG2 GLU 38 HG2 GLU 38 2.974 2.869 6.367 4 H GLU 38 HN GLU 38 3.785 4.928 2.520 5 HB3 GLU 38 HB1 GLU 38 3.156 5.094 5.006 6 HG3 GLU 38 HG1 GLU 38 4.729 3.022 6.451 No H/Q in entry = 6 In of MODEL 35 1 HA CYS 39 HA CYS 39 -0.373 1.699 3.778 2 HB2 CYS 39 HB2 CYS 39 1.185 -0.677 3.648 3 H CYS 39 HN CYS 39 2.396 0.997 4.163 4 HB3 CYS 39 HB1 CYS 39 -0.086 -0.942 4.836 No H/Q in entry = 4 In of MODEL 35 1 HA PRO 40 HA PRO 40 -1.443 2.417 7.998 2 HB2 PRO 40 HB2 PRO 40 -4.042 1.636 8.009 3 HG2 PRO 40 HG2 PRO 40 -4.098 0.467 6.003 4 HD2 PRO 40 HD2 PRO 40 -2.443 0.691 4.417 5 HB3 PRO 40 HB1 PRO 40 -3.492 3.127 7.235 6 HG3 PRO 40 HG1 PRO 40 -4.528 2.089 5.430 7 HD3 PRO 40 HD1 PRO 40 -2.439 2.462 4.531 No H/Q in entry = 7 In of MODEL 35 1 HA SER 41 HA SER 41 -2.031 -1.607 9.818 2 HB2 SER 41 HB2 SER 41 -1.350 0.438 11.923 3 HG SER 41 HG SER 41 0.323 -1.659 11.225 4 H SER 41 HN SER 41 -2.630 1.277 9.880 5 HB3 SER 41 HB1 SER 41 -1.464 -1.278 12.311 No H/Q in entry = 5 In of MODEL 35 1 HA TYR 42 HA TYR 42 -6.154 -1.843 11.188 2 HB2 TYR 42 HB2 TYR 42 -5.917 1.109 11.442 3 HD1 TYR 42 HD1 TYR 42 -7.892 -1.425 13.310 4 HD2 TYR 42 HD2 TYR 42 -4.442 1.064 13.259 5 HE1 TYR 42 HE1 TYR 42 -7.445 -2.008 15.657 6 HE2 TYR 42 HE2 TYR 42 -3.985 0.488 15.606 7 HH TYR 42 HH TYR 42 -5.626 -2.049 17.230 8 H TYR 42 HN TYR 42 -4.561 -0.369 9.324 9 HB3 TYR 42 HB1 TYR 42 -7.533 0.424 11.582 No H/Q in entry = 9 In of MODEL 35 1 HA PRO 43 HA PRO 43 -7.779 -1.720 6.856 2 HB2 PRO 43 HB2 PRO 43 -9.126 -4.100 8.043 3 HG2 PRO 43 HG2 PRO 43 -7.139 -5.253 8.420 4 HD2 PRO 43 HD2 PRO 43 -7.063 -3.737 10.157 5 HB3 PRO 43 HB1 PRO 43 -8.351 -3.915 6.465 6 HG3 PRO 43 HG1 PRO 43 -6.218 -4.198 7.332 7 HD3 PRO 43 HD1 PRO 43 -5.575 -3.238 9.327 No H/Q in entry = 7 In of MODEL 35 1 HA3 GLY 44 HA2 GLY 44 -11.742 0.027 6.878 2 H GLY 44 HN GLY 44 -9.137 0.036 6.992 3 HA2 GLY 44 HA1 GLY 44 -11.572 -0.215 8.610 No H/Q in entry = 3 In of MODEL 35 1 HA ASN 45 HA ASN 45 -9.929 4.066 8.212 2 HB2 ASN 45 HB2 ASN 45 -8.811 4.043 5.402 3 HD21 ASN 45 HD21 ASN 45 -7.832 2.030 5.538 4 HD22 ASN 45 HD22 ASN 45 -6.487 1.731 6.580 5 H ASN 45 HN ASN 45 -9.738 1.855 6.380 6 HB3 ASN 45 HB1 ASN 45 -8.505 5.247 6.650 No H/Q in entry = 6 In of MODEL 35 1 HA3 GLY 46 HA2 GLY 46 -12.616 6.014 5.019 2 H GLY 46 HN GLY 46 -10.746 3.806 4.743 3 HA2 GLY 46 HA1 GLY 46 -12.166 5.207 3.525 No H/Q in entry = 3 In of MODEL 36 1 H1 ALA 1 HT2 ALA 1 14.702 13.748 0.224 2 H2 ALA 1 HT1 ALA 1 16.418 13.776 0.251 3 H3 ALA 1 HT3 ALA 1 15.530 15.064 0.952 4 HA ALA 1 HA ALA 1 14.771 15.801 -1.092 5 HB1 ALA 1 HB1 ALA 1 17.061 16.444 -0.458 6 HB2 ALA 1 HB2 ALA 1 16.843 16.374 -2.207 7 HB3 ALA 1 HB3 ALA 1 17.683 15.068 -1.370 No H/Q in entry = 7 In of MODEL 36 1 HA MET 2 HA MET 2 12.777 13.604 -4.302 2 HB2 MET 2 HB2 MET 2 15.733 13.709 -4.762 3 H MET 2 HN MET 2 13.494 14.874 -2.557 4 HG2 MET 2 HG2 MET 2 13.316 14.915 -5.961 5 HE1 MET 2 HE1 MET 2 14.163 16.776 -7.648 6 HB3 MET 2 HB1 MET 2 14.741 12.668 -5.773 7 HE3 MET 2 HE2 MET 2 13.600 16.009 -9.133 8 HE2 MET 2 HE3 MET 2 15.291 16.482 -8.971 9 HG3 MET 2 HG1 MET 2 14.906 15.613 -5.664 No H/Q in entry = 9 In of MODEL 36 1 HA ASP 3 HA ASP 3 13.569 9.610 -2.519 2 HB2 ASP 3 HB2 ASP 3 11.434 10.856 -0.856 3 H ASP 3 HN ASP 3 11.966 12.060 -2.758 4 HB3 ASP 3 HB1 ASP 3 11.535 9.098 -0.874 No H/Q in entry = 4 In of MODEL 36 1 HA CYS 4 HA CYS 4 10.441 7.686 -4.897 2 HB2 CYS 4 HB2 CYS 4 12.678 5.826 -4.294 3 H CYS 4 HN CYS 4 12.462 7.544 -2.769 4 HB3 CYS 4 HB1 CYS 4 11.228 5.124 -5.006 No H/Q in entry = 4 In of MODEL 36 1 HA THR 5 HA THR 5 9.829 5.337 -0.182 2 HB THR 5 HB THR 5 7.339 6.015 -1.686 3 HG1 THR 5 HG1 THR 5 8.336 7.905 -2.000 4 HG21 THR 5 HG21 THR 5 8.134 6.315 1.199 5 HG23 THR 5 HG22 THR 5 7.094 5.062 0.520 6 HG22 THR 5 HG23 THR 5 6.567 6.745 0.515 7 H THR 5 HN THR 5 11.130 6.365 -1.739 No H/Q in entry = 7 In of MODEL 36 1 HA THR 6 HA THR 6 9.044 1.723 -2.695 2 HB THR 6 HB THR 6 10.604 -0.139 -1.894 3 HG1 THR 6 HG1 THR 6 11.398 0.468 -0.002 4 HG22 THR 6 HG21 THR 6 12.073 2.287 -2.871 5 HG21 THR 6 HG22 THR 6 11.028 1.312 -3.905 6 HG23 THR 6 HG23 THR 6 12.451 0.589 -3.156 7 H THR 6 HN THR 6 10.538 3.255 -0.737 No H/Q in entry = 7 In of MODEL 36 1 HA3 GLY 7 HA2 GLY 7 7.556 -1.551 0.182 2 H GLY 7 HN GLY 7 8.075 -0.360 -2.154 3 HA2 GLY 7 HA1 GLY 7 6.515 -0.140 0.291 No H/Q in entry = 3 In of MODEL 36 1 HA PRO 8 HA PRO 8 4.238 -3.590 -1.900 2 HB2 PRO 8 HB2 PRO 8 2.088 -3.661 -0.262 3 HG2 PRO 8 HG2 PRO 8 2.667 -1.965 1.215 4 HD2 PRO 8 HD2 PRO 8 4.815 -1.149 1.342 5 HB3 PRO 8 HB1 PRO 8 3.562 -4.580 0.064 6 HG3 PRO 8 HG1 PRO 8 3.397 -3.358 2.037 7 HD3 PRO 8 HD1 PRO 8 5.531 -2.772 1.404 No H/Q in entry = 7 In of MODEL 36 1 HA CYS 9 HA CYS 9 1.201 -0.178 -2.595 2 HB2 CYS 9 HB2 CYS 9 2.262 1.298 -0.322 3 H CYS 9 HN CYS 9 3.612 -0.346 -0.949 4 HB3 CYS 9 HB1 CYS 9 1.747 2.371 -1.619 No H/Q in entry = 4 In of MODEL 36 1 HA CYS 10 HA CYS 10 3.663 1.171 -5.939 2 HB2 CYS 10 HB2 CYS 10 5.750 2.437 -5.644 3 H CYS 10 HN CYS 10 3.837 -0.617 -3.779 4 HB3 CYS 10 HB1 CYS 10 4.592 2.802 -4.370 No H/Q in entry = 4 In of MODEL 36 1 HA ARG 11 HA ARG 11 6.901 -1.675 -7.056 2 HB2 ARG 11 HB2 ARG 11 5.715 -0.473 -9.559 3 HG2 ARG 11 HG2 ARG 11 5.101 -2.970 -8.003 4 HD2 ARG 11 HD2 ARG 11 5.188 -3.445 -10.427 5 HE ARG 11 HE ARG 11 3.698 -1.022 -10.681 6 HH11 ARG 11 HH11 ARG 11 4.207 -4.172 -12.094 7 HH12 ARG 11 HH12 ARG 11 3.701 -3.682 -13.676 8 HH21 ARG 11 HH21 ARG 11 3.032 -0.375 -12.760 9 HH22 ARG 11 HH22 ARG 11 3.035 -1.526 -14.055 10 H ARG 11 HN ARG 11 5.682 0.985 -7.383 11 HB3 ARG 11 HB1 ARG 11 6.756 -1.890 -9.564 12 HG3 ARG 11 HG1 ARG 11 4.029 -1.608 -8.335 13 HD3 ARG 11 HD1 ARG 11 3.565 -3.583 -9.752 No H/Q in entry = 13 In of MODEL 36 1 HA GLN 12 HA GLN 12 10.069 1.037 -8.861 2 HB2 GLN 12 HB2 GLN 12 8.729 1.354 -11.553 3 HG2 GLN 12 HG2 GLN 12 9.447 -0.990 -10.360 4 HE21 GLN 12 HE21 GLN 12 11.741 0.502 -9.828 5 HE22 GLN 12 HE22 GLN 12 13.093 -0.287 -10.558 6 H GLN 12 HN GLN 12 7.202 0.865 -9.524 7 HB3 GLN 12 HB1 GLN 12 10.440 1.615 -11.244 8 HG3 GLN 12 HG1 GLN 12 9.334 -0.717 -12.098 No H/Q in entry = 8 In of MODEL 36 1 HA CYS 13 HA CYS 13 9.100 4.877 -6.677 2 HB2 CYS 13 HB2 CYS 13 11.058 4.919 -8.450 3 H CYS 13 HN CYS 13 9.299 2.706 -7.321 4 HB3 CYS 13 HB1 CYS 13 9.890 5.835 -9.396 No H/Q in entry = 4 In of MODEL 36 1 HA LYS 14 HA LYS 14 5.229 5.896 -8.448 2 HB2 LYS 14 HB2 LYS 14 5.739 3.722 -10.433 3 HG2 LYS 14 HG2 LYS 14 5.638 6.673 -10.429 4 HD2 LYS 14 HD2 LYS 14 5.485 6.195 -13.087 5 HE2 LYS 14 HE2 LYS 14 4.313 7.979 -11.969 6 HZ2 LYS 14 HZ1 LYS 14 2.358 7.641 -10.705 7 HZ1 LYS 14 HZ2 LYS 14 3.528 6.603 -10.061 8 HZ3 LYS 14 HZ3 LYS 14 2.312 5.988 -11.064 9 H LYS 14 HN LYS 14 6.834 3.530 -7.915 10 HB3 LYS 14 HB1 LYS 14 4.140 4.452 -10.376 11 HG3 LYS 14 HG1 LYS 14 6.707 5.571 -11.299 12 HD3 LYS 14 HD1 LYS 14 4.333 5.007 -12.474 13 HE3 LYS 14 HE1 LYS 14 3.182 7.070 -12.970 No H/Q in entry = 13 In of MODEL 36 1 HA LEU 15 HA LEU 15 3.085 3.182 -5.630 2 HB2 LEU 15 HB2 LEU 15 1.409 4.560 -4.412 3 HG LEU 15 HG LEU 15 2.327 6.673 -6.295 4 HD12 LEU 15 HD11 LEU 15 -0.228 6.816 -4.836 5 HD11 LEU 15 HD12 LEU 15 -0.029 5.434 -5.913 6 HD13 LEU 15 HD13 LEU 15 0.124 7.073 -6.545 7 HD22 LEU 15 HD21 LEU 15 3.108 7.883 -4.550 8 HD21 LEU 15 HD22 LEU 15 2.176 6.975 -3.360 9 HD23 LEU 15 HD23 LEU 15 1.392 8.225 -4.325 10 H LEU 15 HN LEU 15 3.988 5.622 -6.663 11 HB3 LEU 15 HB1 LEU 15 3.059 5.130 -4.249 No H/Q in entry = 11 In of MODEL 36 1 HA LYS 16 HA LYS 16 -0.145 2.185 -8.325 2 HB2 LYS 16 HB2 LYS 16 -0.671 0.614 -5.809 3 HG2 LYS 16 HG2 LYS 16 -0.153 -0.714 -8.381 4 HD2 LYS 16 HD2 LYS 16 1.277 -1.152 -5.791 5 HE2 LYS 16 HE2 LYS 16 0.223 -3.072 -7.860 6 HZ2 LYS 16 HZ1 LYS 16 0.627 -4.415 -6.103 7 HZ1 LYS 16 HZ2 LYS 16 1.732 -3.358 -5.381 8 HZ3 LYS 16 HZ3 LYS 16 2.214 -4.324 -6.683 9 H LYS 16 HN LYS 16 1.095 2.121 -5.748 10 HB3 LYS 16 HB1 LYS 16 -1.693 0.462 -7.231 11 HG3 LYS 16 HG1 LYS 16 1.204 0.178 -7.691 12 HD3 LYS 16 HD1 LYS 16 -0.391 -1.695 -5.987 13 HE3 LYS 16 HE1 LYS 16 1.866 -2.432 -7.844 No H/Q in entry = 13 In of MODEL 36 1 HA PRO 17 HA PRO 17 -3.582 4.891 -7.906 2 HB2 PRO 17 HB2 PRO 17 -5.358 2.566 -8.485 3 HG2 PRO 17 HG2 PRO 17 -4.261 2.000 -10.459 4 HD2 PRO 17 HD2 PRO 17 -2.760 1.178 -8.914 5 HB3 PRO 17 HB1 PRO 17 -5.283 4.149 -9.269 6 HG3 PRO 17 HG1 PRO 17 -3.444 3.571 -10.559 7 HD3 PRO 17 HD1 PRO 17 -1.687 2.354 -9.699 No H/Q in entry = 7 In of MODEL 36 1 HA ALA 18 HA ALA 18 -4.966 4.378 -3.830 2 HB3 ALA 18 HB1 ALA 18 -7.096 6.277 -4.782 3 HB1 ALA 18 HB2 ALA 18 -5.456 6.793 -4.390 4 HB2 ALA 18 HB3 ALA 18 -6.473 6.067 -3.146 5 H ALA 18 HN ALA 18 -4.993 5.573 -6.355 No H/Q in entry = 5 In of MODEL 36 1 HA3 GLY 19 HA2 GLY 19 -8.183 1.587 -3.024 2 H GLY 19 HN GLY 19 -5.713 2.350 -3.560 3 HA2 GLY 19 HA1 GLY 19 -8.252 1.570 -4.780 No H/Q in entry = 3 In of MODEL 36 1 HA THR 20 HA THR 20 -5.791 -2.035 -5.134 2 HB THR 20 HB THR 20 -3.046 -0.944 -4.677 3 HG1 THR 20 HG1 THR 20 -4.694 -0.360 -6.905 4 HG21 THR 20 HG21 THR 20 -4.232 -2.872 -6.652 5 HG23 THR 20 HG22 THR 20 -3.119 -3.226 -5.331 6 HG22 THR 20 HG23 THR 20 -2.570 -2.286 -6.719 7 H THR 20 HN THR 20 -5.395 0.725 -4.924 No H/Q in entry = 7 In of MODEL 36 1 HA THR 21 HA THR 21 -5.574 -3.254 -0.968 2 HB THR 21 HB THR 21 -5.035 -5.861 -1.062 3 HG1 THR 21 HG1 THR 21 -4.558 -5.949 -3.248 4 HG22 THR 21 HG21 THR 21 -7.404 -6.343 -1.442 5 HG21 THR 21 HG22 THR 21 -7.644 -4.681 -1.981 6 HG23 THR 21 HG23 THR 21 -7.164 -5.008 -0.316 7 H THR 21 HN THR 21 -5.653 -3.677 -3.735 No H/Q in entry = 7 In of MODEL 36 1 HA CYS 22 HA CYS 22 -1.265 -3.746 -0.365 2 HB2 CYS 22 HB2 CYS 22 -2.372 -2.343 1.541 3 H CYS 22 HN CYS 22 -4.018 -4.172 0.577 4 HB3 CYS 22 HB1 CYS 22 -2.047 -3.761 2.531 No H/Q in entry = 4 In of MODEL 36 1 HA TRP 23 HA TRP 23 -0.998 -7.787 1.743 2 HB2 TRP 23 HB2 TRP 23 -2.035 -6.688 4.016 3 HD1 TRP 23 HD1 TRP 23 0.642 -8.184 2.816 4 HE1 TRP 23 HE1 TRP 23 1.895 -9.792 4.387 5 HE3 TRP 23 HE3 TRP 23 -3.104 -9.137 6.163 6 HZ2 TRP 23 HZ2 TRP 23 1.367 -11.269 6.734 7 HZ3 TRP 23 HZ3 TRP 23 -2.648 -10.658 8.042 8 HH2 TRP 23 HH2 TRP 23 -0.459 -11.702 8.320 9 H TRP 23 HN TRP 23 -3.053 -5.707 2.020 10 HB3 TRP 23 HB1 TRP 23 -3.049 -8.115 3.834 No H/Q in entry = 10 In of MODEL 36 1 HA ARG 24 HA ARG 24 -6.192 -8.421 0.743 2 HB2 ARG 24 HB2 ARG 24 -5.866 -9.441 -1.423 3 HG2 ARG 24 HG2 ARG 24 -2.909 -9.025 -1.235 4 HD2 ARG 24 HD2 ARG 24 -3.131 -10.923 -2.991 5 HE ARG 24 HE ARG 24 -4.134 -8.599 -4.282 6 HH11 ARG 24 HH11 ARG 24 -1.392 -9.818 -2.501 7 HH12 ARG 24 HH12 ARG 24 -0.272 -8.715 -3.227 8 HH21 ARG 24 HH21 ARG 24 -2.662 -7.148 -5.239 9 HH22 ARG 24 HH22 ARG 24 -0.992 -7.199 -4.781 10 H ARG 24 HN ARG 24 -4.429 -7.150 1.452 11 HB3 ARG 24 HB1 ARG 24 -4.966 -7.932 -1.350 12 HG3 ARG 24 HG1 ARG 24 -3.648 -10.558 -0.768 13 HD3 ARG 24 HD1 ARG 24 -4.815 -10.408 -3.080 No H/Q in entry = 13 In of MODEL 36 1 HA THR 25 HA THR 25 -4.811 -12.442 2.388 2 HB THR 25 HB THR 25 -4.014 -12.683 4.683 3 HG1 THR 25 HG1 THR 25 -4.432 -9.884 4.870 4 HG23 THR 25 HG21 THR 25 -1.940 -11.547 4.568 5 HG22 THR 25 HG22 THR 25 -2.599 -10.321 3.484 6 HG21 THR 25 HG23 THR 25 -2.392 -11.979 2.919 7 H THR 25 HN THR 25 -4.949 -9.581 2.965 No H/Q in entry = 7 In of MODEL 36 1 HA SER 26 HA SER 26 -8.694 -13.171 4.158 2 HB2 SER 26 HB2 SER 26 -7.148 -15.696 4.687 3 HG SER 26 HG SER 26 -9.158 -16.174 3.171 4 H SER 26 HN SER 26 -5.888 -13.888 4.075 5 HB3 SER 26 HB1 SER 26 -8.840 -15.560 5.165 No H/Q in entry = 5 In of MODEL 36 1 HA VAL 27 HA VAL 27 -8.878 -11.864 8.255 2 HB VAL 27 HB VAL 27 -6.956 -13.337 8.660 3 H VAL 27 HN VAL 27 -7.693 -11.408 5.762 No H/Q in entry = 3 In of MODEL 36 1 HA SER 28 HA SER 28 -7.392 -7.624 7.657 2 HB2 SER 28 HB2 SER 28 -4.554 -8.564 7.439 3 HG SER 28 HG SER 28 -4.662 -8.270 9.510 4 H SER 28 HN SER 28 -6.373 -10.125 6.494 5 HB3 SER 28 HB1 SER 28 -4.906 -6.839 7.337 No H/Q in entry = 5 In of MODEL 36 1 HA SER 29 HA SER 29 -7.313 -6.847 3.318 2 HB2 SER 29 HB2 SER 29 -9.805 -7.194 3.943 3 HG SER 29 HG SER 29 -9.001 -5.442 1.862 4 H SER 29 HN SER 29 -8.396 -6.641 6.026 5 HB3 SER 29 HB1 SER 29 -9.868 -5.435 4.047 No H/Q in entry = 5 In of MODEL 36 1 HA HIS 30 HA HIS 30 -5.927 -2.718 4.492 2 HB2 HIS 30 HB2 HIS 30 -3.510 -4.346 3.763 3 HD1 HIS 30 HD1 HIS 30 -1.645 -3.798 5.782 4 HD2 HIS 30 HD2 HIS 30 -5.686 -3.317 6.622 5 HE1 HIS 30 HE1 HIS 30 -1.822 -3.856 8.290 6 HE2 HIS 30 HE2 HIS 30 -4.287 -3.650 8.771 7 H HIS 30 HN HIS 30 -5.478 -5.477 3.802 8 HB3 HIS 30 HB1 HIS 30 -3.414 -2.589 3.835 No H/Q in entry = 8 In of MODEL 36 1 HA TYR 31 HA TYR 31 -5.518 -1.443 0.275 2 HB2 TYR 31 HB2 TYR 31 -7.484 0.397 1.654 3 HD1 TYR 31 HD1 TYR 31 -8.899 -1.089 2.804 4 HD2 TYR 31 HD2 TYR 31 -7.781 -1.940 -1.212 5 HE1 TYR 31 HE1 TYR 31 -10.549 -2.911 2.737 6 HE2 TYR 31 HE2 TYR 31 -9.428 -3.763 -1.290 7 HH TYR 31 HH TYR 31 -10.558 -5.305 0.556 8 H TYR 31 HN TYR 31 -5.672 -0.922 3.165 9 HB3 TYR 31 HB1 TYR 31 -7.268 0.274 -0.089 No H/Q in entry = 9 In of MODEL 36 1 HA CYS 32 HA CYS 32 -2.666 1.799 0.322 2 HB2 CYS 32 HB2 CYS 32 -2.825 0.792 -2.145 3 H CYS 32 HN CYS 32 -4.674 0.256 -0.993 4 HB3 CYS 32 HB1 CYS 32 -3.431 2.408 -2.490 No H/Q in entry = 4 In of MODEL 36 1 HA THR 33 HA THR 33 -4.983 5.532 0.227 2 HB THR 33 HB THR 33 -3.720 7.307 1.272 3 HG1 THR 33 HG1 THR 33 -1.610 7.508 1.079 4 HG22 THR 33 HG21 THR 33 -2.139 5.238 2.523 5 HG21 THR 33 HG22 THR 33 -3.822 4.753 2.311 6 HG23 THR 33 HG23 THR 33 -3.434 6.234 3.187 7 H THR 33 HN THR 33 -2.422 4.197 -0.340 No H/Q in entry = 7 In of MODEL 36 1 HA3 GLY 34 HA2 GLY 34 -2.007 6.611 -3.859 2 H GLY 34 HN GLY 34 -1.887 6.096 -1.457 3 HA2 GLY 34 HA1 GLY 34 -3.413 7.599 -3.495 No H/Q in entry = 3 In of MODEL 36 1 HA ARG 35 HA ARG 35 0.790 9.802 -3.143 2 HB2 ARG 35 HB2 ARG 35 -0.821 9.913 -0.709 3 HG2 ARG 35 HG2 ARG 35 0.317 12.375 -1.837 4 HD2 ARG 35 HD2 ARG 35 -1.611 12.112 -0.182 5 HE ARG 35 HE ARG 35 -2.782 10.657 -2.256 6 HH11 ARG 35 HH11 ARG 35 -3.584 13.279 -0.098 7 HH12 ARG 35 HH12 ARG 35 -5.279 12.927 -0.099 8 HH21 ARG 35 HH21 ARG 35 -5.011 10.193 -2.260 9 HH22 ARG 35 HH22 ARG 35 -6.090 11.175 -1.326 10 H ARG 35 HN ARG 35 -0.106 7.329 -2.183 11 HB3 ARG 35 HB1 ARG 35 0.774 10.623 -0.502 12 HG3 ARG 35 HG1 ARG 35 -0.665 11.414 -2.945 13 HD3 ARG 35 HD1 ARG 35 -1.849 13.202 -1.547 No H/Q in entry = 13 In of MODEL 36 1 HA SER 36 HA SER 36 3.871 7.630 -0.620 2 HB2 SER 36 HB2 SER 36 3.804 6.861 1.801 3 HG SER 36 HG SER 36 1.170 7.871 1.785 4 H SER 36 HN SER 36 0.931 7.479 -0.501 5 HB3 SER 36 HB1 SER 36 3.254 8.511 1.509 No H/Q in entry = 5 In of MODEL 36 1 HA CYS 37 HA CYS 37 3.338 3.221 -0.611 2 HB2 CYS 37 HB2 CYS 37 5.220 3.920 -2.128 3 H CYS 37 HN CYS 37 4.862 5.551 0.356 4 HB3 CYS 37 HB1 CYS 37 6.334 3.559 -0.814 No H/Q in entry = 4 In of MODEL 36 1 HA GLU 38 HA GLU 38 5.035 2.118 3.410 2 HB2 GLU 38 HB2 GLU 38 4.227 4.823 4.494 3 HG2 GLU 38 HG2 GLU 38 7.028 3.807 4.288 4 H GLU 38 HN GLU 38 3.565 4.306 2.097 5 HB3 GLU 38 HB1 GLU 38 5.024 3.565 5.428 6 HG3 GLU 38 HG1 GLU 38 6.263 4.605 2.915 No H/Q in entry = 6 In of MODEL 36 1 HA CYS 39 HA CYS 39 0.728 0.944 3.952 2 HB2 CYS 39 HB2 CYS 39 2.075 -1.133 3.012 3 H CYS 39 HN CYS 39 3.425 0.565 3.347 4 HB3 CYS 39 HB1 CYS 39 2.053 -1.624 4.702 No H/Q in entry = 4 In of MODEL 36 1 HA PRO 40 HA PRO 40 1.224 2.074 8.307 2 HB2 PRO 40 HB2 PRO 40 -1.721 1.637 8.158 3 HG2 PRO 40 HG2 PRO 40 -2.050 3.232 6.494 4 HD2 PRO 40 HD2 PRO 40 -1.174 1.504 5.241 5 HB3 PRO 40 HB1 PRO 40 -0.818 2.995 8.840 6 HG3 PRO 40 HG1 PRO 40 -0.460 3.970 6.765 7 HD3 PRO 40 HD1 PRO 40 0.077 2.718 4.905 No H/Q in entry = 7 In of MODEL 36 1 HA SER 41 HA SER 41 0.460 -1.794 10.179 2 HB2 SER 41 HB2 SER 41 0.472 -0.038 12.646 3 HG SER 41 HG SER 41 2.826 -1.068 12.254 4 H SER 41 HN SER 41 0.223 1.114 10.377 5 HB3 SER 41 HB1 SER 41 0.870 -1.755 12.581 No H/Q in entry = 5 In of MODEL 36 1 HA TYR 42 HA TYR 42 -3.685 -1.083 12.292 2 HB2 TYR 42 HB2 TYR 42 -5.190 0.947 12.220 3 HD1 TYR 42 HD1 TYR 42 -5.447 1.987 9.984 4 HD2 TYR 42 HD2 TYR 42 -2.042 2.736 12.422 5 HE1 TYR 42 HE1 TYR 42 -4.912 3.961 8.619 6 HE2 TYR 42 HE2 TYR 42 -1.498 4.713 11.065 7 HH TYR 42 HH TYR 42 -3.485 6.270 9.203 8 H TYR 42 HN TYR 42 -1.787 0.718 11.099 9 HB3 TYR 42 HB1 TYR 42 -3.690 1.154 13.118 No H/Q in entry = 9 In of MODEL 36 1 HA PRO 43 HA PRO 43 -5.818 -2.366 8.652 2 HB2 PRO 43 HB2 PRO 43 -8.333 -2.711 9.612 3 HG2 PRO 43 HG2 PRO 43 -8.132 -1.573 11.626 4 HD2 PRO 43 HD2 PRO 43 -6.078 -1.030 12.518 5 HB3 PRO 43 HB1 PRO 43 -7.003 -3.812 9.990 6 HG3 PRO 43 HG1 PRO 43 -7.651 -3.201 12.139 7 HD3 PRO 43 HD1 PRO 43 -5.414 -2.650 12.223 No H/Q in entry = 7 In of MODEL 36 1 HA3 GLY 44 HA2 GLY 44 -9.347 0.641 7.980 2 H GLY 44 HN GLY 44 -8.263 -1.938 7.715 3 HA2 GLY 44 HA1 GLY 44 -8.179 0.665 6.668 No H/Q in entry = 3 In of MODEL 36 1 HA ASN 45 HA ASN 45 -13.096 0.064 5.811 2 HB2 ASN 45 HB2 ASN 45 -10.982 -0.759 3.808 3 HD21 ASN 45 HD21 ASN 45 -11.592 0.865 1.825 4 HD22 ASN 45 HD22 ASN 45 -11.416 2.523 2.277 5 H ASN 45 HN ASN 45 -11.291 0.682 7.048 6 HB3 ASN 45 HB1 ASN 45 -12.700 -0.592 3.460 No H/Q in entry = 6 In of MODEL 36 1 HA3 GLY 46 HA2 GLY 46 -14.513 -4.052 5.809 2 H GLY 46 HN GLY 46 -14.206 -1.568 6.675 3 HA2 GLY 46 HA1 GLY 46 -13.044 -4.245 6.753 No H/Q in entry = 3 In of MODEL 37 1 H1 ALA 1 HT3 ALA 1 20.116 13.117 0.396 2 H2 ALA 1 HT2 ALA 1 21.308 13.408 -0.804 3 H3 ALA 1 HT1 ALA 1 19.862 14.332 -0.786 4 HA ALA 1 HA ALA 1 19.770 12.729 -2.499 5 HB1 ALA 1 HB1 ALA 1 19.692 10.289 -1.770 6 HB2 ALA 1 HB2 ALA 1 20.446 10.833 -0.271 7 HB3 ALA 1 HB3 ALA 1 21.274 11.066 -1.811 No H/Q in entry = 7 In of MODEL 37 1 HA MET 2 HA MET 2 15.727 11.748 -0.909 2 HB2 MET 2 HB2 MET 2 15.857 13.300 -3.099 3 H MET 2 HN MET 2 17.846 11.336 -2.905 4 HG2 MET 2 HG2 MET 2 14.044 13.058 -1.187 5 HE2 MET 2 HE1 MET 2 11.046 13.265 -1.267 6 HB3 MET 2 HB1 MET 2 14.971 11.939 -3.772 7 HE1 MET 2 HE2 MET 2 12.077 12.206 -0.304 8 HE3 MET 2 HE3 MET 2 10.683 11.542 -1.158 9 HG3 MET 2 HG1 MET 2 13.753 13.994 -2.652 No H/Q in entry = 9 In of MODEL 37 1 HA ASP 3 HA ASP 3 14.719 7.718 -2.286 2 HB2 ASP 3 HB2 ASP 3 14.382 7.821 0.207 3 H ASP 3 HN ASP 3 13.936 10.278 -1.072 4 HB3 ASP 3 HB1 ASP 3 12.682 8.165 -0.099 No H/Q in entry = 4 In of MODEL 37 1 HA CYS 4 HA CYS 4 11.512 8.555 -5.161 2 HB2 CYS 4 HB2 CYS 4 13.297 6.725 -6.119 3 H CYS 4 HN CYS 4 13.701 7.178 -4.089 4 HB3 CYS 4 HB1 CYS 4 11.826 5.761 -6.047 No H/Q in entry = 4 In of MODEL 37 1 HA THR 5 HA THR 5 8.240 6.114 -3.576 2 HB THR 5 HB THR 5 6.378 5.750 -5.483 3 HG1 THR 5 HG1 THR 5 8.041 7.780 -6.545 4 HG21 THR 5 HG21 THR 5 6.466 7.440 -3.549 5 HG23 THR 5 HG22 THR 5 5.475 7.812 -4.959 6 HG22 THR 5 HG23 THR 5 7.056 8.569 -4.768 7 H THR 5 HN THR 5 9.674 6.751 -6.050 No H/Q in entry = 7 In of MODEL 37 1 HA THR 6 HA THR 6 8.307 1.908 -4.750 2 HB THR 6 HB THR 6 10.410 0.749 -4.394 3 HG1 THR 6 HG1 THR 6 10.990 1.573 -2.387 4 HG21 THR 6 HG21 THR 6 10.795 3.554 -5.398 5 HG23 THR 6 HG22 THR 6 10.476 2.099 -6.343 6 HG22 THR 6 HG23 THR 6 12.019 2.290 -5.512 7 H THR 6 HN THR 6 9.116 4.134 -3.022 No H/Q in entry = 7 In of MODEL 37 1 HA3 GLY 7 HA2 GLY 7 8.440 -1.007 -1.173 2 H GLY 7 HN GLY 7 8.150 -0.153 -3.606 3 HA2 GLY 7 HA1 GLY 7 7.308 0.291 -0.826 No H/Q in entry = 3 In of MODEL 37 1 HA PRO 8 HA PRO 8 4.761 -3.487 -1.542 2 HB2 PRO 8 HB2 PRO 8 2.887 -2.881 0.325 3 HG2 PRO 8 HG2 PRO 8 3.687 -0.813 1.014 4 HD2 PRO 8 HD2 PRO 8 5.828 -0.113 0.527 5 HB3 PRO 8 HB1 PRO 8 4.400 -3.706 0.718 6 HG3 PRO 8 HG1 PRO 8 4.552 -1.873 2.142 7 HD3 PRO 8 HD1 PRO 8 6.547 -1.663 1.006 No H/Q in entry = 7 In of MODEL 37 1 HA CYS 9 HA CYS 9 1.571 -0.568 -3.028 2 HB2 CYS 9 HB2 CYS 9 1.010 0.375 -0.770 3 H CYS 9 HN CYS 9 3.786 -0.111 -1.145 4 HB3 CYS 9 HB1 CYS 9 1.962 1.796 -1.185 No H/Q in entry = 4 In of MODEL 37 1 HA CYS 10 HA CYS 10 3.944 1.831 -5.787 2 HB2 CYS 10 HB2 CYS 10 5.923 1.981 -3.570 3 H CYS 10 HN CYS 10 4.293 -0.316 -3.890 4 HB3 CYS 10 HB1 CYS 10 6.448 2.519 -5.162 No H/Q in entry = 4 In of MODEL 37 1 HA ARG 11 HA ARG 11 7.596 -0.258 -7.608 2 HB2 ARG 11 HB2 ARG 11 6.481 -1.524 -9.471 3 HG2 ARG 11 HG2 ARG 11 3.823 -0.722 -8.475 4 HD2 ARG 11 HD2 ARG 11 4.873 -1.338 -11.233 5 HE ARG 11 HE ARG 11 2.252 -0.642 -10.326 6 HH11 ARG 11 HH11 ARG 11 4.021 -2.575 -12.632 7 HH12 ARG 11 HH12 ARG 11 2.722 -2.624 -13.775 8 HH21 ARG 11 HH21 ARG 11 0.542 -0.707 -11.829 9 HH22 ARG 11 HH22 ARG 11 0.747 -1.564 -13.320 10 H ARG 11 HN ARG 11 5.741 1.848 -7.414 11 HB3 ARG 11 HB1 ARG 11 5.751 -1.748 -7.887 12 HG3 ARG 11 HG1 ARG 11 4.627 0.402 -9.573 13 HD3 ARG 11 HD1 ARG 11 4.201 -2.532 -10.124 No H/Q in entry = 13 In of MODEL 37 1 HA GLN 12 HA GLN 12 10.206 1.587 -10.585 2 HB2 GLN 12 HB2 GLN 12 7.540 1.064 -11.830 3 HG2 GLN 12 HG2 GLN 12 10.272 0.044 -12.082 4 HE21 GLN 12 HE21 GLN 12 11.368 -0.421 -13.885 5 HE22 GLN 12 HE22 GLN 12 10.866 -0.001 -15.484 6 H GLN 12 HN GLN 12 9.120 0.423 -8.962 7 HB3 GLN 12 HB1 GLN 12 8.652 2.157 -12.642 8 HG3 GLN 12 HG1 GLN 12 8.726 -0.752 -12.374 No H/Q in entry = 8 In of MODEL 37 1 HA CYS 13 HA CYS 13 8.983 5.217 -7.740 2 HB2 CYS 13 HB2 CYS 13 9.834 5.691 -10.593 3 H CYS 13 HN CYS 13 9.282 3.072 -8.432 4 HB3 CYS 13 HB1 CYS 13 9.496 7.017 -9.486 No H/Q in entry = 4 In of MODEL 37 1 HA LYS 14 HA LYS 14 4.925 5.985 -9.245 2 HB2 LYS 14 HB2 LYS 14 5.182 3.385 -10.675 3 HG2 LYS 14 HG2 LYS 14 5.617 5.923 -11.464 4 HD2 LYS 14 HD2 LYS 14 2.891 5.261 -12.553 5 HE2 LYS 14 HE2 LYS 14 3.117 7.840 -12.966 6 HZ3 LYS 14 HZ1 LYS 14 4.547 7.156 -15.052 7 HZ2 LYS 14 HZ2 LYS 14 2.926 6.699 -14.899 8 HZ1 LYS 14 HZ3 LYS 14 4.154 5.598 -14.524 9 H LYS 14 HN LYS 14 6.694 3.745 -8.570 10 HB3 LYS 14 HB1 LYS 14 3.567 4.052 -10.476 11 HG3 LYS 14 HG1 LYS 14 5.172 4.608 -12.554 12 HD3 LYS 14 HD1 LYS 14 3.139 6.371 -11.204 13 HE3 LYS 14 HE1 LYS 14 4.842 7.497 -12.846 No H/Q in entry = 13 In of MODEL 37 1 HA LEU 15 HA LEU 15 2.752 4.118 -5.962 2 HB2 LEU 15 HB2 LEU 15 2.472 6.811 -6.026 3 HG LEU 15 HG LEU 15 2.359 5.076 -4.018 4 HD13 LEU 15 HD11 LEU 15 2.469 6.891 -2.692 5 HD12 LEU 15 HD12 LEU 15 0.995 7.598 -3.354 6 HD11 LEU 15 HD13 LEU 15 2.519 7.756 -4.228 7 HD21 LEU 15 HD21 LEU 15 -0.184 4.810 -4.851 8 HD23 LEU 15 HD22 LEU 15 -0.378 6.120 -3.686 9 HD22 LEU 15 HD23 LEU 15 0.324 4.585 -3.177 10 H LEU 15 HN LEU 15 3.021 6.032 -8.142 11 HB3 LEU 15 HB1 LEU 15 0.802 6.319 -6.232 No H/Q in entry = 11 In of MODEL 37 1 HA LYS 16 HA LYS 16 -0.447 2.053 -8.050 2 HB2 LYS 16 HB2 LYS 16 -0.582 0.909 -5.254 3 HG2 LYS 16 HG2 LYS 16 1.610 0.693 -6.663 4 HD2 LYS 16 HD2 LYS 16 -0.360 -0.878 -8.180 5 HE2 LYS 16 HE2 LYS 16 2.347 -2.050 -8.194 6 HZ3 LYS 16 HZ1 LYS 16 0.900 -4.098 -8.342 7 HZ2 LYS 16 HZ2 LYS 16 0.801 -3.016 -9.638 8 HZ1 LYS 16 HZ3 LYS 16 -0.423 -3.051 -8.471 9 H LYS 16 HN LYS 16 1.108 2.693 -5.732 10 HB3 LYS 16 HB1 LYS 16 -1.332 0.215 -6.684 11 HG3 LYS 16 HG1 LYS 16 0.943 -0.700 -5.809 12 HD3 LYS 16 HD1 LYS 16 1.177 -0.180 -8.695 13 HE3 LYS 16 HE1 LYS 16 1.347 -2.427 -6.792 No H/Q in entry = 13 In of MODEL 37 1 HA PRO 17 HA PRO 17 -4.194 4.284 -7.477 2 HB2 PRO 17 HB2 PRO 17 -5.592 1.660 -7.700 3 HG2 PRO 17 HG2 PRO 17 -4.593 1.102 -9.728 4 HD2 PRO 17 HD2 PRO 17 -2.845 0.677 -8.285 5 HB3 PRO 17 HB1 PRO 17 -5.856 3.157 -8.603 6 HG3 PRO 17 HG1 PRO 17 -4.067 2.769 -10.028 7 HD3 PRO 17 HD1 PRO 17 -2.059 1.933 -9.264 No H/Q in entry = 7 In of MODEL 37 1 HA ALA 18 HA ALA 18 -5.081 3.887 -3.249 2 HB2 ALA 18 HB1 ALA 18 -7.230 5.213 -2.728 3 HB3 ALA 18 HB2 ALA 18 -7.162 5.692 -4.424 4 HB1 ALA 18 HB3 ALA 18 -5.826 6.087 -3.342 5 H ALA 18 HN ALA 18 -5.526 4.876 -5.829 No H/Q in entry = 5 In of MODEL 37 1 HA3 GLY 19 HA2 GLY 19 -8.066 1.168 -1.314 2 H GLY 19 HN GLY 19 -6.186 2.501 -1.923 3 HA2 GLY 19 HA1 GLY 19 -8.581 1.180 -2.993 No H/Q in entry = 3 In of MODEL 37 1 HA THR 20 HA THR 20 -6.067 -2.228 -4.083 2 HB THR 20 HB THR 20 -3.603 -0.527 -4.514 3 HG1 THR 20 HG1 THR 20 -4.385 -0.089 -6.431 4 HG23 THR 20 HG21 THR 20 -2.752 -2.234 -5.908 5 HG22 THR 20 HG22 THR 20 -4.241 -3.171 -5.784 6 HG21 THR 20 HG23 THR 20 -3.191 -2.993 -4.378 7 H THR 20 HN THR 20 -5.831 0.559 -3.920 No H/Q in entry = 7 In of MODEL 37 1 HA THR 21 HA THR 21 -4.571 -3.390 -0.166 2 HB THR 21 HB THR 21 -4.067 -5.913 -0.243 3 HG1 THR 21 HG1 THR 21 -3.844 -6.485 -2.278 4 HG21 THR 21 HG21 THR 21 -6.509 -4.539 -0.110 5 HG23 THR 21 HG22 THR 21 -6.132 -6.153 0.493 6 HG22 THR 21 HG23 THR 21 -6.774 -5.947 -1.137 7 H THR 21 HN THR 21 -5.455 -3.836 -2.785 No H/Q in entry = 7 In of MODEL 37 1 HA CYS 22 HA CYS 22 -0.250 -4.058 -0.929 2 HB2 CYS 22 HB2 CYS 22 0.905 -2.574 0.804 3 H CYS 22 HN CYS 22 -2.583 -3.974 0.858 4 HB3 CYS 22 HB1 CYS 22 -0.269 -1.797 -0.253 No H/Q in entry = 4 In of MODEL 37 1 HA TRP 23 HA TRP 23 0.726 -7.359 1.729 2 HB2 TRP 23 HB2 TRP 23 -0.797 -5.888 3.438 3 HD1 TRP 23 HD1 TRP 23 2.225 -7.043 3.085 4 HE1 TRP 23 HE1 TRP 23 3.425 -7.941 5.178 5 HE3 TRP 23 HE3 TRP 23 -1.852 -7.946 6.036 6 HZ2 TRP 23 HZ2 TRP 23 2.735 -8.904 7.740 7 HZ3 TRP 23 HZ3 TRP 23 -1.495 -8.856 8.294 8 HH2 TRP 23 HH2 TRP 23 0.752 -9.325 9.127 9 H TRP 23 HN TRP 23 -1.545 -6.214 0.437 10 HB3 TRP 23 HB1 TRP 23 -1.562 -7.467 3.585 No H/Q in entry = 10 In of MODEL 37 1 HA ARG 24 HA ARG 24 -4.130 -9.597 1.566 2 HB2 ARG 24 HB2 ARG 24 -2.114 -9.640 -0.626 3 HG2 ARG 24 HG2 ARG 24 -5.004 -9.096 -0.334 4 HD2 ARG 24 HD2 ARG 24 -5.024 -9.333 -2.945 5 HE ARG 24 HE ARG 24 -5.840 -11.170 -0.925 6 HH11 ARG 24 HH11 ARG 24 -5.533 -10.767 -4.378 7 HH12 ARG 24 HH12 ARG 24 -6.789 -11.900 -4.748 8 HH21 ARG 24 HH21 ARG 24 -7.493 -12.660 -1.409 9 HH22 ARG 24 HH22 ARG 24 -7.903 -12.974 -3.062 10 H ARG 24 HN ARG 24 -2.774 -7.838 2.058 11 HB3 ARG 24 HB1 ARG 24 -3.168 -11.038 -0.459 12 HG3 ARG 24 HG1 ARG 24 -3.787 -8.286 -1.322 13 HD3 ARG 24 HD1 ARG 24 -3.793 -10.556 -2.634 No H/Q in entry = 13 In of MODEL 37 1 HA THR 25 HA THR 25 -1.790 -12.800 3.541 2 HB THR 25 HB THR 25 -2.899 -12.836 6.041 3 HG1 THR 25 HG1 THR 25 -2.856 -10.131 5.192 4 HG21 THR 25 HG21 THR 25 -0.464 -12.626 5.350 5 HG23 THR 25 HG22 THR 25 -0.955 -11.827 6.843 6 HG22 THR 25 HG23 THR 25 -0.730 -10.883 5.371 7 H THR 25 HN THR 25 -3.822 -10.684 3.516 No H/Q in entry = 7 In of MODEL 37 1 HA SER 26 HA SER 26 -5.934 -14.790 3.037 2 HB2 SER 26 HB2 SER 26 -6.642 -14.431 5.943 3 HG SER 26 HG SER 26 -4.874 -16.285 5.858 4 H SER 26 HN SER 26 -5.232 -12.237 4.097 5 HB3 SER 26 HB1 SER 26 -6.744 -15.892 4.962 No H/Q in entry = 5 In of MODEL 37 1 HA VAL 27 HA VAL 27 -9.203 -11.589 3.283 2 HB VAL 27 HB VAL 27 -10.151 -13.224 4.849 3 H VAL 27 HN VAL 27 -6.956 -12.063 5.032 No H/Q in entry = 3 In of MODEL 37 1 HA SER 28 HA SER 28 -8.606 -8.143 6.574 2 HB2 SER 28 HB2 SER 28 -5.906 -9.174 7.479 3 HG SER 28 HG SER 28 -7.604 -10.442 8.300 4 H SER 28 HN SER 28 -7.604 -10.746 6.321 5 HB3 SER 28 HB1 SER 28 -6.738 -7.746 8.097 No H/Q in entry = 5 In of MODEL 37 1 HA SER 29 HA SER 29 -6.131 -6.651 3.198 2 HB2 SER 29 HB2 SER 29 -8.890 -5.453 2.894 3 HG SER 29 HG SER 29 -8.390 -7.727 2.312 4 H SER 29 HN SER 29 -8.571 -6.922 4.740 5 HB3 SER 29 HB1 SER 29 -7.546 -5.073 1.818 No H/Q in entry = 5 In of MODEL 37 1 HA HIS 30 HA HIS 30 -4.954 -3.358 5.905 2 HB2 HIS 30 HB2 HIS 30 -2.722 -4.253 4.156 3 HD1 HIS 30 HD1 HIS 30 -0.947 -2.920 6.688 4 HD2 HIS 30 HD2 HIS 30 -3.827 -5.916 6.702 5 HE1 HIS 30 HE1 HIS 30 -0.512 -4.261 8.770 6 HE2 HIS 30 HE2 HIS 30 -2.321 -6.014 8.803 7 H HIS 30 HN HIS 30 -4.585 -5.396 4.018 8 HB3 HIS 30 HB1 HIS 30 -2.599 -2.640 4.851 No H/Q in entry = 8 In of MODEL 37 1 HA TYR 31 HA TYR 31 -5.592 -1.728 0.900 2 HB2 TYR 31 HB2 TYR 31 -6.757 -0.397 3.353 3 HD1 TYR 31 HD1 TYR 31 -7.394 -2.464 0.326 4 HD2 TYR 31 HD2 TYR 31 -8.863 -1.098 4.078 5 HE1 TYR 31 HE1 TYR 31 -9.290 -4.019 0.143 6 HE2 TYR 31 HE2 TYR 31 -10.762 -2.650 3.906 7 HH TYR 31 HH TYR 31 -11.800 -3.998 1.225 8 H TYR 31 HN TYR 31 -5.022 -3.327 2.413 9 HB3 TYR 31 HB1 TYR 31 -7.038 0.140 1.700 No H/Q in entry = 9 In of MODEL 37 1 HA CYS 32 HA CYS 32 -2.648 1.468 1.485 2 HB2 CYS 32 HB2 CYS 32 -2.239 0.406 -0.750 3 H CYS 32 HN CYS 32 -4.972 0.346 0.069 4 HB3 CYS 32 HB1 CYS 32 -3.264 1.644 -1.469 No H/Q in entry = 4 In of MODEL 37 1 HA THR 33 HA THR 33 -4.658 5.247 1.959 2 HB THR 33 HB THR 33 -3.103 7.192 2.053 3 HG1 THR 33 HG1 THR 33 -1.098 5.297 1.414 4 HG23 THR 33 HG21 THR 33 -2.525 6.632 4.111 5 HG22 THR 33 HG22 THR 33 -1.443 5.367 3.530 6 HG21 THR 33 HG23 THR 33 -3.154 5.018 3.778 7 H THR 33 HN THR 33 -2.335 3.730 1.504 No H/Q in entry = 7 In of MODEL 37 1 HA3 GLY 34 HA2 GLY 34 -3.374 5.660 -2.928 2 H GLY 34 HN GLY 34 -2.232 5.648 -0.635 3 HA2 GLY 34 HA1 GLY 34 -4.322 6.970 -2.240 No H/Q in entry = 3 In of MODEL 37 1 HA ARG 35 HA ARG 35 -0.433 9.087 -3.001 2 HB2 ARG 35 HB2 ARG 35 -1.750 10.449 -0.690 3 HG2 ARG 35 HG2 ARG 35 -1.753 12.269 -2.605 4 HD2 ARG 35 HD2 ARG 35 -3.594 9.905 -2.838 5 HE ARG 35 HE ARG 35 -3.734 12.348 -4.048 6 HH11 ARG 35 HH11 ARG 35 -5.711 10.625 -1.746 7 HH12 ARG 35 HH12 ARG 35 -7.186 11.364 -2.270 8 HH21 ARG 35 HH21 ARG 35 -5.673 13.322 -4.739 9 HH22 ARG 35 HH22 ARG 35 -7.165 12.895 -3.970 10 H ARG 35 HN ARG 35 -1.942 7.957 -0.737 11 HB3 ARG 35 HB1 ARG 35 -0.264 11.131 -1.337 12 HG3 ARG 35 HG1 ARG 35 -1.573 10.840 -3.625 13 HD3 ARG 35 HD1 ARG 35 -3.693 11.054 -1.505 No H/Q in entry = 13 In of MODEL 37 1 HA SER 36 HA SER 36 2.882 7.659 -0.547 2 HB2 SER 36 HB2 SER 36 1.142 7.999 1.459 3 HG SER 36 HG SER 36 3.525 6.729 2.179 4 H SER 36 HN SER 36 0.222 6.828 -1.273 5 HB3 SER 36 HB1 SER 36 1.480 6.283 1.690 No H/Q in entry = 5 In of MODEL 37 1 HA CYS 37 HA CYS 37 3.511 3.557 -1.772 2 HB2 CYS 37 HB2 CYS 37 6.142 4.327 -0.496 3 H CYS 37 HN CYS 37 4.328 5.959 -0.465 4 HB3 CYS 37 HB1 CYS 37 5.888 2.876 -1.460 No H/Q in entry = 4 In of MODEL 37 1 HA GLU 38 HA GLU 38 3.725 1.756 2.443 2 HB2 GLU 38 HB2 GLU 38 5.118 3.856 3.397 3 HG2 GLU 38 HG2 GLU 38 4.893 2.630 5.722 4 H GLU 38 HN GLU 38 3.706 4.535 1.502 5 HB3 GLU 38 HB1 GLU 38 3.672 3.989 4.390 6 HG3 GLU 38 HG1 GLU 38 4.112 1.403 4.727 No H/Q in entry = 6 In of MODEL 37 1 HA CYS 39 HA CYS 39 -0.396 2.528 3.800 2 HB2 CYS 39 HB2 CYS 39 0.155 -0.387 4.397 3 H CYS 39 HN CYS 39 2.200 1.186 4.185 4 HB3 CYS 39 HB1 CYS 39 -1.444 0.339 4.276 No H/Q in entry = 4 In of MODEL 37 1 HA PRO 40 HA PRO 40 -0.514 3.323 8.136 2 HB2 PRO 40 HB2 PRO 40 -3.183 3.285 8.611 3 HG2 PRO 40 HG2 PRO 40 -3.905 2.241 6.667 4 HD2 PRO 40 HD2 PRO 40 -2.551 2.053 4.813 5 HB3 PRO 40 HB1 PRO 40 -2.388 4.594 7.729 6 HG3 PRO 40 HG1 PRO 40 -3.966 3.937 6.152 7 HD3 PRO 40 HD1 PRO 40 -2.048 3.754 4.889 No H/Q in entry = 7 In of MODEL 37 1 HA SER 41 HA SER 41 -1.364 -0.464 10.145 2 HB2 SER 41 HB2 SER 41 -0.769 1.569 12.280 3 HG SER 41 HG SER 41 0.658 -0.715 11.392 4 H SER 41 HN SER 41 -1.428 2.463 10.225 5 HB3 SER 41 HB1 SER 41 -1.082 -0.114 12.703 No H/Q in entry = 5 In of MODEL 37 1 HA TYR 42 HA TYR 42 -5.568 -0.150 11.410 2 HB2 TYR 42 HB2 TYR 42 -5.951 2.605 10.221 3 HD1 TYR 42 HD1 TYR 42 -5.603 0.914 13.543 4 HD2 TYR 42 HD2 TYR 42 -4.662 4.281 11.119 5 HE1 TYR 42 HE1 TYR 42 -4.348 1.902 15.413 6 HE2 TYR 42 HE2 TYR 42 -3.403 5.278 12.981 7 HH TYR 42 HH TYR 42 -2.287 4.600 15.022 8 H TYR 42 HN TYR 42 -3.755 1.027 9.430 9 HB3 TYR 42 HB1 TYR 42 -7.020 1.802 11.366 No H/Q in entry = 9 In of MODEL 37 1 HA PRO 43 HA PRO 43 -6.557 -1.756 7.191 2 HB2 PRO 43 HB2 PRO 43 -8.083 -3.564 9.006 3 HG2 PRO 43 HG2 PRO 43 -6.180 -4.388 10.065 4 HD2 PRO 43 HD2 PRO 43 -6.341 -2.323 11.078 5 HB3 PRO 43 HB1 PRO 43 -7.087 -3.960 7.600 6 HG3 PRO 43 HG1 PRO 43 -5.103 -3.786 8.791 7 HD3 PRO 43 HD1 PRO 43 -4.747 -2.106 10.326 No H/Q in entry = 7 In of MODEL 37 1 HA3 GLY 44 HA2 GLY 44 -10.392 0.667 9.600 2 H GLY 44 HN GLY 44 -8.562 -0.865 9.923 3 HA2 GLY 44 HA1 GLY 44 -10.666 -0.062 8.025 No H/Q in entry = 3 In of MODEL 37 1 HA ASN 45 HA ASN 45 -13.255 -2.376 10.886 2 HB2 ASN 45 HB2 ASN 45 -14.741 0.159 11.588 3 HD21 ASN 45 HD21 ASN 45 -12.504 -2.189 13.036 4 HD22 ASN 45 HD22 ASN 45 -11.575 -1.020 13.906 5 H ASN 45 HN ASN 45 -12.711 0.332 9.878 6 HB3 ASN 45 HB1 ASN 45 -14.833 -1.398 12.405 No H/Q in entry = 6 In of MODEL 37 1 HA3 GLY 46 HA2 GLY 46 -15.647 -0.449 6.785 2 H GLY 46 HN GLY 46 -14.407 0.147 8.759 3 HA2 GLY 46 HA1 GLY 46 -16.385 -1.758 7.696 No H/Q in entry = 3 In of MODEL 38 1 H1 ALA 1 HT3 ALA 1 19.259 8.549 -1.980 2 H2 ALA 1 HT2 ALA 1 20.594 9.258 -1.167 3 H3 ALA 1 HT1 ALA 1 19.617 8.097 -0.366 4 HA ALA 1 HA ALA 1 18.917 10.060 0.499 5 HB2 ALA 1 HB1 ALA 1 18.976 12.081 -0.527 6 HB3 ALA 1 HB2 ALA 1 18.476 11.428 -2.088 7 HB1 ALA 1 HB3 ALA 1 20.145 11.245 -1.550 No H/Q in entry = 7 In of MODEL 38 1 HA MET 2 HA MET 2 15.014 8.234 -0.367 2 HB2 MET 2 HB2 MET 2 15.277 8.563 2.232 3 H MET 2 HN MET 2 16.940 9.582 1.164 4 HG2 MET 2 HG2 MET 2 13.598 7.097 1.149 5 HE2 MET 2 HE1 MET 2 10.174 7.843 2.137 6 HB3 MET 2 HB1 MET 2 14.204 9.929 1.961 7 HE1 MET 2 HE2 MET 2 11.064 6.553 1.328 8 HE3 MET 2 HE3 MET 2 9.866 7.491 0.436 9 HG3 MET 2 HG1 MET 2 13.041 7.856 2.639 No H/Q in entry = 9 In of MODEL 38 1 HA ASP 3 HA ASP 3 12.958 11.718 -2.030 2 HB2 ASP 3 HB2 ASP 3 15.371 11.276 -3.710 3 H ASP 3 HN ASP 3 14.571 9.276 -2.287 4 HB3 ASP 3 HB1 ASP 3 14.040 12.167 -4.441 No H/Q in entry = 4 In of MODEL 38 1 HA CYS 4 HA CYS 4 10.391 9.206 -4.512 2 HB2 CYS 4 HB2 CYS 4 12.736 7.910 -5.047 3 H CYS 4 HN CYS 4 12.199 8.925 -2.274 4 HB3 CYS 4 HB1 CYS 4 11.705 6.570 -4.559 No H/Q in entry = 4 In of MODEL 38 1 HA THR 5 HA THR 5 8.604 6.036 -1.876 2 HB THR 5 HB THR 5 6.258 5.727 -2.634 3 HG1 THR 5 HG1 THR 5 7.143 7.015 -4.999 4 HG21 THR 5 HG21 THR 5 7.444 8.095 -1.965 5 HG23 THR 5 HG22 THR 5 5.709 7.820 -2.126 6 HG22 THR 5 HG23 THR 5 6.625 8.487 -3.477 7 H THR 5 HN THR 5 9.339 6.703 -4.645 No H/Q in entry = 7 In of MODEL 38 1 HA THR 6 HA THR 6 8.682 2.005 -3.617 2 HB THR 6 HB THR 6 10.936 1.696 -1.666 3 HG1 THR 6 HG1 THR 6 11.905 3.328 -2.525 4 HG22 THR 6 HG21 THR 6 11.976 0.586 -3.673 5 HG21 THR 6 HG22 THR 6 10.391 0.692 -4.439 6 HG23 THR 6 HG23 THR 6 10.593 -0.239 -2.955 7 H THR 6 HN THR 6 9.111 3.993 -1.490 No H/Q in entry = 7 In of MODEL 38 1 HA3 GLY 7 HA2 GLY 7 7.711 -1.206 -0.660 2 H GLY 7 HN GLY 7 7.697 0.147 -3.009 3 HA2 GLY 7 HA1 GLY 7 6.536 0.068 -0.367 No H/Q in entry = 3 In of MODEL 38 1 HA PRO 8 HA PRO 8 4.372 -3.565 -2.343 2 HB2 PRO 8 HB2 PRO 8 2.394 -3.782 -0.508 3 HG2 PRO 8 HG2 PRO 8 2.969 -2.021 0.893 4 HD2 PRO 8 HD2 PRO 8 5.047 -1.034 0.811 5 HB3 PRO 8 HB1 PRO 8 3.962 -4.575 -0.316 6 HG3 PRO 8 HG1 PRO 8 3.884 -3.337 1.653 7 HD3 PRO 8 HD1 PRO 8 5.894 -2.594 0.809 No H/Q in entry = 7 In of MODEL 38 1 HA CYS 9 HA CYS 9 0.949 -0.504 -2.778 2 HB2 CYS 9 HB2 CYS 9 1.668 0.778 -0.277 3 H CYS 9 HN CYS 9 3.328 -0.477 -1.073 4 HB3 CYS 9 HB1 CYS 9 1.051 1.948 -1.437 No H/Q in entry = 4 In of MODEL 38 1 HA CYS 10 HA CYS 10 3.225 1.665 -5.811 2 HB2 CYS 10 HB2 CYS 10 4.936 3.307 -5.257 3 H CYS 10 HN CYS 10 3.665 -0.308 -3.871 4 HB3 CYS 10 HB1 CYS 10 3.748 3.217 -3.962 No H/Q in entry = 4 In of MODEL 38 1 HA ARG 11 HA ARG 11 6.693 -0.655 -7.179 2 HB2 ARG 11 HB2 ARG 11 4.389 -1.686 -8.107 3 HG2 ARG 11 HG2 ARG 11 6.990 -2.452 -9.399 4 HD2 ARG 11 HD2 ARG 11 4.878 -4.306 -8.391 5 HE ARG 11 HE ARG 11 6.294 -4.867 -10.827 6 HH11 ARG 11 HH11 ARG 11 6.400 -5.070 -7.345 7 HH12 ARG 11 HH12 ARG 11 7.526 -6.386 -7.330 8 HH21 ARG 11 HH21 ARG 11 7.775 -6.598 -10.810 9 HH22 ARG 11 HH22 ARG 11 8.307 -7.253 -9.298 10 H ARG 11 HN ARG 11 4.192 0.862 -7.542 11 HB3 ARG 11 HB1 ARG 11 5.061 -1.088 -9.618 12 HG3 ARG 11 HG1 ARG 11 6.575 -2.880 -7.738 13 HD3 ARG 11 HD1 ARG 11 4.670 -3.510 -9.950 No H/Q in entry = 13 In of MODEL 38 1 HA GLN 12 HA GLN 12 9.817 1.139 -9.676 2 HB2 GLN 12 HB2 GLN 12 7.316 0.974 -11.314 3 HG2 GLN 12 HG2 GLN 12 9.164 -0.846 -11.098 4 HE21 GLN 12 HE21 GLN 12 10.709 -1.680 -12.916 5 HE22 GLN 12 HE22 GLN 12 12.024 -0.620 -13.277 6 H GLN 12 HN GLN 12 8.444 -0.078 -8.333 7 HB3 GLN 12 HB1 GLN 12 8.642 1.989 -11.863 8 HG3 GLN 12 HG1 GLN 12 8.457 -0.471 -12.669 No H/Q in entry = 8 In of MODEL 38 1 HA CYS 13 HA CYS 13 8.370 4.581 -6.680 2 HB2 CYS 13 HB2 CYS 13 9.926 5.018 -9.169 3 H CYS 13 HN CYS 13 8.626 2.487 -7.530 4 HB3 CYS 13 HB1 CYS 13 9.176 6.439 -8.450 No H/Q in entry = 4 In of MODEL 38 1 HA LYS 14 HA LYS 14 4.748 5.775 -8.970 2 HB2 LYS 14 HB2 LYS 14 5.327 3.995 -10.777 3 HG2 LYS 14 HG2 LYS 14 2.404 4.628 -10.596 4 HD2 LYS 14 HD2 LYS 14 3.191 5.237 -13.091 5 HE2 LYS 14 HE2 LYS 14 1.362 3.786 -12.725 6 HZ3 LYS 14 HZ1 LYS 14 1.809 1.418 -12.048 7 HZ2 LYS 14 HZ2 LYS 14 1.959 2.574 -10.822 8 HZ1 LYS 14 HZ3 LYS 14 3.343 1.928 -11.549 9 H LYS 14 HN LYS 14 6.197 3.344 -8.150 10 HB3 LYS 14 HB1 LYS 14 4.045 3.055 -10.026 11 HG3 LYS 14 HG1 LYS 14 3.604 5.870 -10.959 12 HD3 LYS 14 HD1 LYS 14 4.363 3.975 -12.708 13 HE3 LYS 14 HE1 LYS 14 2.515 2.890 -13.712 No H/Q in entry = 13 In of MODEL 38 1 HA LEU 15 HA LEU 15 2.384 4.594 -5.458 2 HB2 LEU 15 HB2 LEU 15 1.579 7.227 -6.542 3 HG LEU 15 HG LEU 15 3.115 6.614 -4.444 4 HD12 LEU 15 HD11 LEU 15 2.549 8.858 -3.537 5 HD11 LEU 15 HD12 LEU 15 1.191 8.921 -4.661 6 HD13 LEU 15 HD13 LEU 15 2.842 8.842 -5.276 7 HD22 LEU 15 HD21 LEU 15 1.830 5.600 -2.891 8 HD21 LEU 15 HD22 LEU 15 0.333 6.277 -3.531 9 HD23 LEU 15 HD23 LEU 15 1.372 7.256 -2.496 10 H LEU 15 HN LEU 15 3.251 6.273 -7.523 11 HB3 LEU 15 HB1 LEU 15 0.377 6.391 -5.577 No H/Q in entry = 11 In of MODEL 38 1 HA LYS 16 HA LYS 16 -0.722 2.401 -7.567 2 HB2 LYS 16 HB2 LYS 16 -0.696 1.480 -4.704 3 HG2 LYS 16 HG2 LYS 16 0.500 0.568 -7.227 4 HD2 LYS 16 HD2 LYS 16 -1.168 -1.196 -5.568 5 HE2 LYS 16 HE2 LYS 16 1.717 -1.656 -5.900 6 HZ2 LYS 16 HZ1 LYS 16 1.141 -3.254 -7.472 7 HZ1 LYS 16 HZ2 LYS 16 -0.287 -3.684 -6.674 8 HZ3 LYS 16 HZ3 LYS 16 1.210 -4.131 -6.026 9 H LYS 16 HN LYS 16 0.577 3.348 -5.153 10 HB3 LYS 16 HB1 LYS 16 -1.830 0.810 -5.867 11 HG3 LYS 16 HG1 LYS 16 1.051 0.362 -5.563 12 HD3 LYS 16 HD1 LYS 16 -0.622 -1.386 -7.236 13 HE3 LYS 16 HE1 LYS 16 0.589 -2.326 -4.723 No H/Q in entry = 13 In of MODEL 38 1 HA PRO 17 HA PRO 17 -4.532 4.569 -7.174 2 HB2 PRO 17 HB2 PRO 17 -6.372 2.639 -7.764 3 HG2 PRO 17 HG2 PRO 17 -5.003 0.770 -7.651 4 HD2 PRO 17 HD2 PRO 17 -2.700 0.938 -7.658 5 HB3 PRO 17 HB1 PRO 17 -5.361 3.428 -8.979 6 HG3 PRO 17 HG1 PRO 17 -4.778 1.211 -9.354 7 HD3 PRO 17 HD1 PRO 17 -2.694 2.134 -8.970 No H/Q in entry = 7 In of MODEL 38 1 HA ALA 18 HA ALA 18 -5.888 3.976 -3.098 2 HB1 ALA 18 HB1 ALA 18 -6.673 6.274 -3.644 3 HB2 ALA 18 HB2 ALA 18 -7.717 5.412 -2.513 4 HB3 ALA 18 HB3 ALA 18 -8.192 5.574 -4.204 5 H ALA 18 HN ALA 18 -6.043 5.082 -5.661 No H/Q in entry = 5 In of MODEL 38 1 HA3 GLY 19 HA2 GLY 19 -8.419 0.611 -1.955 2 H GLY 19 HN GLY 19 -6.480 1.983 -2.544 3 HA2 GLY 19 HA1 GLY 19 -9.080 0.992 -3.538 No H/Q in entry = 3 In of MODEL 38 1 HA THR 20 HA THR 20 -6.084 -2.126 -4.814 2 HB THR 20 HB THR 20 -3.492 -0.799 -4.005 3 HG1 THR 20 HG1 THR 20 -3.797 0.580 -5.550 4 HG21 THR 20 HG21 THR 20 -4.186 -2.975 -5.899 5 HG23 THR 20 HG22 THR 20 -2.785 -2.794 -4.843 6 HG22 THR 20 HG23 THR 20 -2.896 -1.852 -6.330 7 H THR 20 HN THR 20 -5.699 0.274 -3.201 No H/Q in entry = 7 In of MODEL 38 1 HA THR 21 HA THR 21 -5.189 -4.864 -1.606 2 HB THR 21 HB THR 21 -3.789 -6.918 -2.535 3 HG1 THR 21 HG1 THR 21 -3.519 -6.937 -4.631 4 HG21 THR 21 HG21 THR 21 -6.574 -6.201 -3.396 5 HG23 THR 21 HG22 THR 21 -6.082 -7.215 -2.039 6 HG22 THR 21 HG23 THR 21 -5.833 -7.774 -3.693 7 H THR 21 HN THR 21 -4.743 -4.055 -4.312 No H/Q in entry = 7 In of MODEL 38 1 HA CYS 22 HA CYS 22 -1.283 -3.155 -0.383 2 HB2 CYS 22 HB2 CYS 22 -2.869 -2.574 1.500 3 H CYS 22 HN CYS 22 -3.921 -4.032 -0.063 4 HB3 CYS 22 HB1 CYS 22 -2.489 -4.142 2.203 No H/Q in entry = 4 In of MODEL 38 1 HA TRP 23 HA TRP 23 -0.131 -7.559 0.354 2 HB2 TRP 23 HB2 TRP 23 0.427 -6.237 2.642 3 HD1 TRP 23 HD1 TRP 23 2.091 -7.367 0.250 4 HE1 TRP 23 HE1 TRP 23 4.156 -8.844 0.676 5 HE3 TRP 23 HE3 TRP 23 0.980 -8.975 4.975 6 HZ2 TRP 23 HZ2 TRP 23 5.178 -10.474 2.741 7 HZ3 TRP 23 HZ3 TRP 23 2.554 -10.491 6.105 8 HH2 TRP 23 HH2 TRP 23 4.609 -11.225 5.010 9 H TRP 23 HN TRP 23 -2.309 -6.007 1.501 10 HB3 TRP 23 HB1 TRP 23 -0.270 -7.710 3.309 No H/Q in entry = 10 In of MODEL 38 1 HA ARG 24 HA ARG 24 -3.248 -10.487 1.389 2 HB2 ARG 24 HB2 ARG 24 -3.244 -10.271 -1.621 3 HG2 ARG 24 HG2 ARG 24 -4.366 -8.568 0.150 4 HD2 ARG 24 HD2 ARG 24 -6.143 -10.900 -0.091 5 HE ARG 24 HE ARG 24 -7.684 -8.485 0.047 6 HH11 ARG 24 HH11 ARG 24 -6.378 -10.909 -2.097 7 HH12 ARG 24 HH12 ARG 24 -7.566 -10.639 -3.328 8 HH21 ARG 24 HH21 ARG 24 -9.247 -8.129 -1.571 9 HH22 ARG 24 HH22 ARG 24 -9.195 -9.061 -3.030 10 H ARG 24 HN ARG 24 -1.337 -9.179 -0.433 11 HB3 ARG 24 HB1 ARG 24 -4.294 -11.371 -0.739 12 HG3 ARG 24 HG1 ARG 24 -4.990 -8.877 -1.471 13 HD3 ARG 24 HD1 ARG 24 -6.063 -9.657 1.157 No H/Q in entry = 13 In of MODEL 38 1 HA THR 25 HA THR 25 -0.409 -13.783 0.582 2 HB THR 25 HB THR 25 0.616 -14.593 2.705 3 HG1 THR 25 HG1 THR 25 -0.811 -12.462 3.907 4 HG23 THR 25 HG21 THR 25 2.109 -13.061 2.092 5 HG22 THR 25 HG22 THR 25 1.391 -12.064 3.357 6 HG21 THR 25 HG23 THR 25 0.869 -11.876 1.683 7 H THR 25 HN THR 25 -1.954 -12.008 2.330 No H/Q in entry = 7 In of MODEL 38 1 HA SER 26 HA SER 26 -4.307 -15.987 1.901 2 HB2 SER 26 HB2 SER 26 -2.488 -17.356 2.710 3 HG SER 26 HG SER 26 -3.679 -18.768 3.837 4 H SER 26 HN SER 26 -2.982 -13.776 2.978 5 HB3 SER 26 HB1 SER 26 -2.586 -16.618 4.308 No H/Q in entry = 5 In of MODEL 38 1 HA VAL 27 HA VAL 27 -6.441 -14.264 5.529 2 HB VAL 27 HB VAL 27 -4.172 -13.720 7.442 3 H VAL 27 HN VAL 27 -3.577 -14.186 4.838 No H/Q in entry = 3 In of MODEL 38 1 HA SER 28 HA SER 28 -4.675 -9.838 6.168 2 HB2 SER 28 HB2 SER 28 -2.261 -10.155 5.847 3 HG SER 28 HG SER 28 -2.175 -8.084 5.594 4 H SER 28 HN SER 28 -3.576 -12.249 5.237 5 HB3 SER 28 HB1 SER 28 -2.500 -10.261 4.103 No H/Q in entry = 5 In of MODEL 38 1 HA SER 29 HA SER 29 -5.959 -7.977 2.237 2 HB2 SER 29 HB2 SER 29 -8.569 -8.062 2.664 3 HG SER 29 HG SER 29 -9.159 -9.093 4.405 4 H SER 29 HN SER 29 -5.393 -7.988 4.984 5 HB3 SER 29 HB1 SER 29 -7.653 -9.540 2.369 No H/Q in entry = 5 In of MODEL 38 1 HA HIS 30 HA HIS 30 -6.866 -4.039 4.077 2 HB2 HIS 30 HB2 HIS 30 -3.899 -4.186 3.900 3 HD1 HIS 30 HD1 HIS 30 -3.572 -2.152 6.263 4 HD2 HIS 30 HD2 HIS 30 -6.296 -5.288 6.144 5 HE1 HIS 30 HE1 HIS 30 -4.109 -2.667 8.665 6 HE2 HIS 30 HE2 HIS 30 -5.825 -4.509 8.565 7 H HIS 30 HN HIS 30 -4.999 -5.916 2.797 8 HB3 HIS 30 HB1 HIS 30 -4.629 -2.584 3.918 No H/Q in entry = 8 In of MODEL 38 1 HA TYR 31 HA TYR 31 -6.233 -1.806 0.214 2 HB2 TYR 31 HB2 TYR 31 -8.307 -0.477 1.950 3 HD1 TYR 31 HD1 TYR 31 -7.691 -2.447 -1.167 4 HD2 TYR 31 HD2 TYR 31 -10.283 -1.656 2.113 5 HE1 TYR 31 HE1 TYR 31 -9.179 -4.256 -1.914 6 HE2 TYR 31 HE2 TYR 31 -11.778 -3.463 1.375 7 HH TYR 31 HH TYR 31 -11.179 -5.792 -0.267 8 H TYR 31 HN TYR 31 -6.231 -1.665 3.143 9 HB3 TYR 31 HB1 TYR 31 -8.049 0.000 0.275 No H/Q in entry = 9 In of MODEL 38 1 HA CYS 32 HA CYS 32 -3.784 1.737 0.828 2 HB2 CYS 32 HB2 CYS 32 -3.332 0.529 -1.575 3 H CYS 32 HN CYS 32 -5.496 0.067 -0.842 4 HB3 CYS 32 HB1 CYS 32 -3.760 2.156 -2.090 No H/Q in entry = 4 In of MODEL 38 1 HA THR 33 HA THR 33 -6.599 5.032 0.518 2 HB THR 33 HB THR 33 -5.445 5.533 2.622 3 HG1 THR 33 HG1 THR 33 -6.447 7.353 2.540 4 HG23 THR 33 HG21 THR 33 -3.443 6.597 2.846 5 HG22 THR 33 HG22 THR 33 -3.536 7.348 1.253 6 HG21 THR 33 HG23 THR 33 -3.132 5.638 1.399 7 H THR 33 HN THR 33 -4.057 3.878 1.140 No H/Q in entry = 7 In of MODEL 38 1 HA3 GLY 34 HA2 GLY 34 -2.898 6.060 -2.937 2 H GLY 34 HN GLY 34 -3.282 5.522 -0.615 3 HA2 GLY 34 HA1 GLY 34 -4.395 6.979 -2.923 No H/Q in entry = 3 In of MODEL 38 1 HA ARG 35 HA ARG 35 -1.472 9.946 -1.181 2 HB2 ARG 35 HB2 ARG 35 -1.768 8.828 1.608 3 HG2 ARG 35 HG2 ARG 35 -3.384 10.660 -0.070 4 HD2 ARG 35 HD2 ARG 35 -2.365 11.596 2.333 5 HE ARG 35 HE ARG 35 -5.125 11.221 3.053 6 HH11 ARG 35 HH11 ARG 35 -1.879 9.984 3.387 7 HH12 ARG 35 HH12 ARG 35 -2.211 9.166 4.877 8 HH21 ARG 35 HH21 ARG 35 -5.562 10.146 5.012 9 HH22 ARG 35 HH22 ARG 35 -4.301 9.257 5.799 10 H ARG 35 HN ARG 35 -2.155 7.228 -0.277 11 HB3 ARG 35 HB1 ARG 35 -1.100 10.417 1.264 12 HG3 ARG 35 HG1 ARG 35 -3.896 9.457 1.114 13 HD3 ARG 35 HD1 ARG 35 -3.780 12.207 1.478 No H/Q in entry = 13 In of MODEL 38 1 HA SER 36 HA SER 36 2.391 7.525 -0.801 2 HB2 SER 36 HB2 SER 36 2.331 8.737 1.408 3 HG SER 36 HG SER 36 4.221 7.275 2.208 4 H SER 36 HN SER 36 -0.243 6.965 0.194 5 HB3 SER 36 HB1 SER 36 2.094 7.173 2.189 No H/Q in entry = 5 In of MODEL 38 1 HA CYS 37 HA CYS 37 2.655 3.225 -0.804 2 HB2 CYS 37 HB2 CYS 37 5.144 4.146 -1.189 3 H CYS 37 HN CYS 37 3.929 5.687 -0.139 4 HB3 CYS 37 HB1 CYS 37 5.424 3.208 0.274 No H/Q in entry = 4 In of MODEL 38 1 HA GLU 38 HA GLU 38 3.820 2.439 3.805 2 HB2 GLU 38 HB2 GLU 38 3.482 5.372 4.283 3 HG2 GLU 38 HG2 GLU 38 5.714 4.010 4.039 4 H GLU 38 HN GLU 38 3.755 4.710 2.158 5 HB3 GLU 38 HB1 GLU 38 3.202 4.254 5.611 6 HG3 GLU 38 HG1 GLU 38 5.558 5.322 5.207 No H/Q in entry = 6 In of MODEL 38 1 HA CYS 39 HA CYS 39 -0.537 1.667 3.465 2 HB2 CYS 39 HB2 CYS 39 0.924 -0.646 3.746 3 H CYS 39 HN CYS 39 2.161 1.046 3.855 4 HB3 CYS 39 HB1 CYS 39 -0.059 -0.646 5.206 No H/Q in entry = 4 In of MODEL 38 1 HA PRO 40 HA PRO 40 -1.995 3.571 7.163 2 HB2 PRO 40 HB2 PRO 40 -4.253 1.634 6.997 3 HG2 PRO 40 HG2 PRO 40 -4.820 2.209 4.814 4 HD2 PRO 40 HD2 PRO 40 -2.951 0.915 4.424 5 HB3 PRO 40 HB1 PRO 40 -4.289 3.395 7.136 6 HG3 PRO 40 HG1 PRO 40 -3.884 3.714 4.874 7 HD3 PRO 40 HD1 PRO 40 -2.359 2.431 3.715 No H/Q in entry = 7 In of MODEL 38 1 HA SER 41 HA SER 41 -1.532 0.513 10.296 2 HB2 SER 41 HB2 SER 41 -1.136 3.039 11.157 3 HG SER 41 HG SER 41 -0.926 1.514 13.316 4 H SER 41 HN SER 41 -2.957 2.916 9.368 5 HB3 SER 41 HB1 SER 41 -2.411 2.545 12.270 No H/Q in entry = 5 In of MODEL 38 1 HA TYR 42 HA TYR 42 -5.818 0.366 12.156 2 HB2 TYR 42 HB2 TYR 42 -6.609 2.869 10.779 3 HD1 TYR 42 HD1 TYR 42 -4.830 2.701 13.036 4 HD2 TYR 42 HD2 TYR 42 -9.081 2.547 12.968 5 HE1 TYR 42 HE1 TYR 42 -4.891 3.535 15.348 6 HE2 TYR 42 HE2 TYR 42 -9.154 3.382 15.279 7 HH TYR 42 HH TYR 42 -6.523 3.414 17.307 8 H TYR 42 HN TYR 42 -4.580 2.220 10.312 9 HB3 TYR 42 HB1 TYR 42 -7.908 1.740 11.147 No H/Q in entry = 9 In of MODEL 38 1 HA PRO 43 HA PRO 43 -7.285 -2.549 9.193 2 HB2 PRO 43 HB2 PRO 43 -9.643 -3.317 10.290 3 HG2 PRO 43 HG2 PRO 43 -9.933 -1.595 11.821 4 HD2 PRO 43 HD2 PRO 43 -8.201 -0.201 12.426 5 HB3 PRO 43 HB1 PRO 43 -8.078 -3.783 10.965 6 HG3 PRO 43 HG1 PRO 43 -9.030 -2.751 12.819 7 HD3 PRO 43 HD1 PRO 43 -7.070 -1.550 12.661 No H/Q in entry = 7 In of MODEL 38 1 HA3 GLY 44 HA2 GLY 44 -8.820 0.776 6.324 2 H GLY 44 HN GLY 44 -7.591 -0.290 7.943 3 HA2 GLY 44 HA1 GLY 44 -9.924 -0.590 6.391 No H/Q in entry = 3 In of MODEL 38 1 HA ASN 45 HA ASN 45 -11.808 3.339 8.035 2 HB2 ASN 45 HB2 ASN 45 -11.699 1.542 9.868 3 HD21 ASN 45 HD21 ASN 45 -13.854 2.172 9.314 4 HD22 ASN 45 HD22 ASN 45 -14.699 3.317 10.294 5 H ASN 45 HN ASN 45 -9.132 2.511 7.875 6 HB3 ASN 45 HB1 ASN 45 -10.702 2.686 10.761 No H/Q in entry = 6 In of MODEL 38 1 HA3 GLY 46 HA2 GLY 46 -11.116 7.384 10.051 2 H GLY 46 HN GLY 46 -12.043 5.458 8.954 3 HA2 GLY 46 HA1 GLY 46 -9.511 6.788 9.654 No H/Q in entry = 3 In of MODEL 39 1 H1 ALA 1 HT1 ALA 1 16.257 13.086 -8.538 2 H2 ALA 1 HT3 ALA 1 17.012 14.097 -7.378 3 H3 ALA 1 HT2 ALA 1 17.891 12.808 -8.093 4 HA ALA 1 HA ALA 1 16.593 11.209 -7.038 5 HB2 ALA 1 HB1 ALA 1 18.309 11.811 -5.609 6 HB3 ALA 1 HB2 ALA 1 16.884 12.018 -4.590 7 HB1 ALA 1 HB3 ALA 1 17.651 13.423 -5.330 No H/Q in entry = 7 In of MODEL 39 1 HA MET 2 HA MET 2 12.687 12.584 -5.528 2 HB2 MET 2 HB2 MET 2 12.299 10.172 -7.303 3 H MET 2 HN MET 2 14.675 10.536 -6.246 4 HG2 MET 2 HG2 MET 2 11.283 12.859 -8.000 5 HE1 MET 2 HE1 MET 2 10.815 13.431 -10.034 6 HB3 MET 2 HB1 MET 2 10.967 11.091 -6.616 7 HE3 MET 2 HE2 MET 2 10.339 12.286 -11.288 8 HE2 MET 2 HE3 MET 2 11.934 13.036 -11.339 9 HG3 MET 2 HG1 MET 2 13.023 12.599 -8.117 No H/Q in entry = 9 In of MODEL 39 1 HA ASP 3 HA ASP 3 11.773 10.316 -1.996 2 HB2 ASP 3 HB2 ASP 3 9.284 10.126 -1.459 3 H ASP 3 HN ASP 3 10.865 11.715 -4.244 4 HB3 ASP 3 HB1 ASP 3 9.917 11.753 -1.691 No H/Q in entry = 4 In of MODEL 39 1 HA CYS 4 HA CYS 4 9.170 7.171 -5.460 2 HB2 CYS 4 HB2 CYS 4 11.860 6.795 -4.259 3 H CYS 4 HN CYS 4 9.641 9.233 -4.634 4 HB3 CYS 4 HB1 CYS 4 10.952 5.340 -4.657 No H/Q in entry = 4 In of MODEL 39 1 HA THR 5 HA THR 5 9.785 5.083 -0.577 2 HB THR 5 HB THR 5 6.949 5.569 -1.297 3 HG1 THR 5 HG1 THR 5 8.830 7.637 -0.886 4 HG22 THR 5 HG21 THR 5 8.379 6.430 1.187 5 HG21 THR 5 HG22 THR 5 7.832 4.769 0.958 6 HG23 THR 5 HG23 THR 5 6.664 6.090 0.952 7 H THR 5 HN THR 5 10.636 6.130 -2.412 No H/Q in entry = 7 In of MODEL 39 1 HA THR 6 HA THR 6 8.014 1.423 -2.253 2 HB THR 6 HB THR 6 9.640 -0.422 -1.876 3 HG1 THR 6 HG1 THR 6 10.457 0.140 0.126 4 HG23 THR 6 HG21 THR 6 10.260 0.622 -3.800 5 HG22 THR 6 HG22 THR 6 11.701 0.898 -2.820 6 HG21 THR 6 HG23 THR 6 10.504 2.180 -3.011 7 H THR 6 HN THR 6 9.491 2.969 -0.227 No H/Q in entry = 7 In of MODEL 39 1 HA3 GLY 7 HA2 GLY 7 6.860 -1.386 1.077 2 H GLY 7 HN GLY 7 6.822 -0.347 -1.530 3 HA2 GLY 7 HA1 GLY 7 5.651 -0.113 1.014 No H/Q in entry = 3 In of MODEL 39 1 HA PRO 8 HA PRO 8 3.860 -4.212 -0.480 2 HB2 PRO 8 HB2 PRO 8 1.924 -4.444 1.406 3 HG2 PRO 8 HG2 PRO 8 2.377 -2.541 2.656 4 HD2 PRO 8 HD2 PRO 8 4.371 -1.402 2.460 5 HB3 PRO 8 HB1 PRO 8 3.554 -5.092 1.622 6 HG3 PRO 8 HG1 PRO 8 3.411 -3.715 3.491 7 HD3 PRO 8 HD1 PRO 8 5.338 -2.889 2.534 No H/Q in entry = 7 In of MODEL 39 1 HA CYS 9 HA CYS 9 0.634 -2.126 -2.464 2 HB2 CYS 9 HB2 CYS 9 0.632 -0.515 -0.607 3 H CYS 9 HN CYS 9 3.432 -2.098 -1.921 4 HB3 CYS 9 HB1 CYS 9 1.821 0.468 -1.455 No H/Q in entry = 4 In of MODEL 39 1 HA CYS 10 HA CYS 10 2.681 0.613 -5.667 2 HB2 CYS 10 HB2 CYS 10 4.871 1.845 -5.690 3 H CYS 10 HN CYS 10 3.273 0.234 -2.913 4 HB3 CYS 10 HB1 CYS 10 3.733 2.404 -4.469 No H/Q in entry = 4 In of MODEL 39 1 HA ARG 11 HA ARG 11 6.000 -2.153 -6.923 2 HB2 ARG 11 HB2 ARG 11 4.053 -1.381 -9.031 3 HG2 ARG 11 HG2 ARG 11 3.821 -3.234 -7.223 4 HD2 ARG 11 HD2 ARG 11 5.475 -4.600 -9.340 5 HE ARG 11 HE ARG 11 4.146 -6.374 -8.766 6 HH11 ARG 11 HH11 ARG 11 4.941 -4.574 -5.883 7 HH12 ARG 11 HH12 ARG 11 4.269 -5.755 -4.810 8 HH21 ARG 11 HH21 ARG 11 3.261 -7.928 -7.356 9 HH22 ARG 11 HH22 ARG 11 3.315 -7.659 -5.645 10 H ARG 11 HN ARG 11 4.679 0.443 -7.253 11 HB3 ARG 11 HB1 ARG 11 5.458 -2.307 -9.542 12 HG3 ARG 11 HG1 ARG 11 3.281 -3.537 -8.875 13 HD3 ARG 11 HD1 ARG 11 5.895 -4.393 -7.640 No H/Q in entry = 13 In of MODEL 39 1 HA GLN 12 HA GLN 12 10.016 -0.396 -7.323 2 HB2 GLN 12 HB2 GLN 12 9.728 -1.876 -9.271 3 HG2 GLN 12 HG2 GLN 12 11.107 0.725 -9.555 4 HE21 GLN 12 HE21 GLN 12 11.047 -2.211 -11.535 5 HE22 GLN 12 HE22 GLN 12 11.048 -1.393 -13.057 6 H GLN 12 HN GLN 12 8.018 -1.288 -6.707 7 HB3 GLN 12 HB1 GLN 12 8.862 -0.596 -10.111 8 HG3 GLN 12 HG1 GLN 12 11.754 -0.915 -9.594 No H/Q in entry = 8 In of MODEL 39 1 HA CYS 13 HA CYS 13 8.697 3.771 -6.023 2 HB2 CYS 13 HB2 CYS 13 10.923 3.851 -7.031 3 H CYS 13 HN CYS 13 8.999 1.524 -6.199 4 HB3 CYS 13 HB1 CYS 13 10.215 3.774 -8.640 No H/Q in entry = 4 In of MODEL 39 1 HA LYS 14 HA LYS 14 5.255 4.812 -8.427 2 HB2 LYS 14 HB2 LYS 14 5.799 2.391 -9.459 3 HG2 LYS 14 HG2 LYS 14 4.503 4.492 -10.419 4 HD2 LYS 14 HD2 LYS 14 2.324 2.489 -10.664 5 HE2 LYS 14 HE2 LYS 14 1.082 4.798 -10.463 6 HZ3 LYS 14 HZ1 LYS 14 2.565 4.640 -12.959 7 HZ2 LYS 14 HZ2 LYS 14 0.897 4.739 -12.694 8 HZ1 LYS 14 HZ3 LYS 14 1.693 3.256 -12.524 9 H LYS 14 HN LYS 14 6.391 2.964 -6.518 10 HB3 LYS 14 HB1 LYS 14 4.223 2.049 -8.758 11 HG3 LYS 14 HG1 LYS 14 4.495 2.926 -11.232 12 HD3 LYS 14 HD1 LYS 14 2.407 3.441 -9.181 13 HE3 LYS 14 HE1 LYS 14 2.673 5.440 -10.867 No H/Q in entry = 13 In of MODEL 39 1 HA LEU 15 HA LEU 15 2.945 4.259 -4.541 2 HB2 LEU 15 HB2 LEU 15 3.305 7.123 -5.261 3 HG LEU 15 HG LEU 15 4.692 5.818 -3.507 4 HD11 LEU 15 HD11 LEU 15 3.451 8.517 -3.194 5 HD13 LEU 15 HD12 LEU 15 5.110 8.085 -3.611 6 HD12 LEU 15 HD13 LEU 15 4.538 7.892 -1.954 7 HD23 LEU 15 HD21 LEU 15 3.413 6.276 -1.218 8 HD22 LEU 15 HD22 LEU 15 3.287 4.744 -2.082 9 HD21 LEU 15 HD23 LEU 15 2.016 5.955 -2.245 10 H LEU 15 HN LEU 15 4.514 5.652 -6.378 11 HB3 LEU 15 HB1 LEU 15 1.926 6.704 -4.263 No H/Q in entry = 11 In of MODEL 39 1 HA LYS 16 HA LYS 16 -0.509 3.644 -7.213 2 HB2 LYS 16 HB2 LYS 16 -1.245 2.086 -4.734 3 HG2 LYS 16 HG2 LYS 16 0.992 1.540 -6.171 4 HD2 LYS 16 HD2 LYS 16 -0.814 -0.558 -7.191 5 HE2 LYS 16 HE2 LYS 16 1.682 -0.480 -7.475 6 HZ1 LYS 16 HZ1 LYS 16 1.003 1.718 -9.353 7 HZ3 LYS 16 HZ2 LYS 16 2.504 0.944 -9.260 8 HZ2 LYS 16 HZ3 LYS 16 1.943 1.859 -7.953 9 H LYS 16 HN LYS 16 1.154 3.160 -4.973 10 HB3 LYS 16 HB1 LYS 16 -1.913 1.899 -6.350 11 HG3 LYS 16 HG1 LYS 16 0.034 0.344 -5.295 12 HD3 LYS 16 HD1 LYS 16 -0.885 0.996 -8.024 13 HE3 LYS 16 HE1 LYS 16 0.755 -0.670 -8.962 No H/Q in entry = 13 In of MODEL 39 1 HA PRO 17 HA PRO 17 -3.255 6.862 -5.996 2 HB2 PRO 17 HB2 PRO 17 -5.448 5.032 -6.852 3 HG2 PRO 17 HG2 PRO 17 -4.564 4.685 -8.978 4 HD2 PRO 17 HD2 PRO 17 -3.169 3.333 -7.734 5 HB3 PRO 17 HB1 PRO 17 -5.122 6.701 -7.334 6 HG3 PRO 17 HG1 PRO 17 -3.480 6.083 -8.851 7 HD3 PRO 17 HD1 PRO 17 -1.937 4.439 -8.374 No H/Q in entry = 7 In of MODEL 39 1 HA ALA 18 HA ALA 18 -4.499 5.778 -1.982 2 HB3 ALA 18 HB1 ALA 18 -5.964 8.342 -2.573 3 HB1 ALA 18 HB2 ALA 18 -4.460 8.140 -1.674 4 HB2 ALA 18 HB3 ALA 18 -5.978 7.546 -0.999 5 H ALA 18 HN ALA 18 -4.407 7.451 -4.215 No H/Q in entry = 5 In of MODEL 39 1 HA3 GLY 19 HA2 GLY 19 -8.146 3.494 -1.574 2 H GLY 19 HN GLY 19 -5.580 3.871 -2.215 3 HA2 GLY 19 HA1 GLY 19 -8.282 3.844 -3.290 No H/Q in entry = 3 In of MODEL 39 1 HA THR 20 HA THR 20 -6.593 -0.006 -4.505 2 HB THR 20 HB THR 20 -3.728 0.912 -4.187 3 HG1 THR 20 HG1 THR 20 -3.964 1.888 -6.027 4 HG22 THR 20 HG21 THR 20 -4.734 -1.206 -6.053 5 HG21 THR 20 HG22 THR 20 -4.110 -1.575 -4.446 6 HG23 THR 20 HG23 THR 20 -3.068 -0.802 -5.640 7 H THR 20 HN THR 20 -5.664 2.547 -3.830 No H/Q in entry = 7 In of MODEL 39 1 HA THR 21 HA THR 21 -6.080 -2.030 -0.696 2 HB THR 21 HB THR 21 -6.716 -4.412 -0.893 3 HG1 THR 21 HG1 THR 21 -6.941 -3.902 -3.669 4 HG23 THR 21 HG21 THR 21 -8.713 -3.425 -0.686 5 HG22 THR 21 HG22 THR 21 -8.895 -3.873 -2.382 6 HG21 THR 21 HG23 THR 21 -8.380 -2.242 -1.951 7 H THR 21 HN THR 21 -6.521 -1.957 -3.525 No H/Q in entry = 7 In of MODEL 39 1 HA CYS 22 HA CYS 22 -1.825 -2.952 -0.942 2 HB2 CYS 22 HB2 CYS 22 -2.786 -3.049 1.868 3 H CYS 22 HN CYS 22 -4.272 -2.525 0.352 4 HB3 CYS 22 HB1 CYS 22 -1.254 -3.845 1.522 No H/Q in entry = 4 In of MODEL 39 1 HA TRP 23 HA TRP 23 -4.304 -7.473 0.420 2 HB2 TRP 23 HB2 TRP 23 -4.349 -7.091 -1.991 3 HD1 TRP 23 HD1 TRP 23 -1.926 -9.264 -3.255 4 HE1 TRP 23 HE1 TRP 23 -2.571 -11.749 -3.082 5 HE3 TRP 23 HE3 TRP 23 -5.649 -8.898 0.233 6 HZ2 TRP 23 HZ2 TRP 23 -4.413 -13.344 -1.657 7 HZ3 TRP 23 HZ3 TRP 23 -6.801 -10.951 0.946 8 HH2 TRP 23 HH2 TRP 23 -6.196 -13.127 0.019 9 H TRP 23 HN TRP 23 -4.099 -5.212 0.537 10 HB3 TRP 23 HB1 TRP 23 -2.590 -7.110 -2.046 No H/Q in entry = 10 In of MODEL 39 1 HA ARG 24 HA ARG 24 -0.509 -8.199 2.650 2 HB2 ARG 24 HB2 ARG 24 -2.655 -8.654 4.225 3 HG2 ARG 24 HG2 ARG 24 0.209 -9.404 4.663 4 HD2 ARG 24 HD2 ARG 24 -1.092 -10.924 6.049 5 HE ARG 24 HE ARG 24 -2.814 -8.718 6.487 6 HH11 ARG 24 HH11 ARG 24 -1.476 -11.519 8.080 7 HH12 ARG 24 HH12 ARG 24 -2.807 -11.688 9.174 8 HH21 ARG 24 HH21 ARG 24 -4.566 -8.938 7.926 9 HH22 ARG 24 HH22 ARG 24 -4.562 -10.223 9.087 10 H ARG 24 HN ARG 24 -3.288 -8.191 2.225 11 HB3 ARG 24 HB1 ARG 24 -2.106 -10.307 3.981 12 HG3 ARG 24 HG1 ARG 24 -0.691 -8.028 5.304 13 HD3 ARG 24 HD1 ARG 24 -0.296 -9.698 7.035 No H/Q in entry = 13 In of MODEL 39 1 HA THR 25 HA THR 25 -2.213 -12.248 -0.280 2 HB THR 25 HB THR 25 0.727 -12.103 -0.146 3 HG1 THR 25 HG1 THR 25 -0.836 -9.898 -0.964 4 HG22 THR 25 HG21 THR 25 -0.265 -11.575 -2.728 5 HG21 THR 25 HG22 THR 25 -1.267 -12.847 -2.028 6 HG23 THR 25 HG23 THR 25 0.483 -13.052 -2.121 7 H THR 25 HN THR 25 -2.616 -10.410 0.993 No H/Q in entry = 7 In of MODEL 39 1 HA SER 26 HA SER 26 -1.130 -15.121 2.826 2 HB2 SER 26 HB2 SER 26 -0.254 -14.656 4.953 3 HG SER 26 HG SER 26 -1.942 -13.636 5.955 4 H SER 26 HN SER 26 -2.530 -12.588 2.481 5 HB3 SER 26 HB1 SER 26 0.089 -13.187 4.040 No H/Q in entry = 5 In of MODEL 39 1 HA VAL 27 HA VAL 27 -5.631 -14.660 4.139 2 HB VAL 27 HB VAL 27 -4.370 -15.902 5.857 3 H VAL 27 HN VAL 27 -3.477 -12.879 4.241 No H/Q in entry = 3 In of MODEL 39 1 HA SER 28 HA SER 28 -7.409 -10.733 4.705 2 HB2 SER 28 HB2 SER 28 -5.516 -10.743 6.633 3 HG SER 28 HG SER 28 -6.986 -8.384 6.423 4 H SER 28 HN SER 28 -5.113 -11.922 3.629 5 HB3 SER 28 HB1 SER 28 -5.112 -9.230 5.824 No H/Q in entry = 5 In of MODEL 39 1 HA SER 29 HA SER 29 -5.512 -7.502 2.155 2 HB2 SER 29 HB2 SER 29 -7.526 -8.437 1.092 3 HG SER 29 HG SER 29 -8.061 -6.571 -0.138 4 H SER 29 HN SER 29 -7.249 -8.198 4.390 5 HB3 SER 29 HB1 SER 29 -8.529 -7.297 1.989 No H/Q in entry = 5 In of MODEL 39 1 HA HIS 30 HA HIS 30 -6.091 -3.735 4.320 2 HB2 HIS 30 HB2 HIS 30 -3.257 -4.156 3.519 3 HD1 HIS 30 HD1 HIS 30 -2.840 -2.229 6.269 4 HD2 HIS 30 HD2 HIS 30 -4.728 -5.899 5.789 5 HE1 HIS 30 HE1 HIS 30 -2.852 -3.283 8.552 6 HE2 HIS 30 HE2 HIS 30 -3.923 -5.539 8.220 7 H HIS 30 HN HIS 30 -4.746 -5.509 2.404 8 HB3 HIS 30 HB1 HIS 30 -3.731 -2.523 3.973 No H/Q in entry = 8 In of MODEL 39 1 HA TYR 31 HA TYR 31 -5.969 -0.841 0.903 2 HB2 TYR 31 HB2 TYR 31 -7.261 0.329 3.343 3 HD1 TYR 31 HD1 TYR 31 -8.745 -1.532 3.575 4 HD2 TYR 31 HD2 TYR 31 -8.371 0.454 -0.169 5 HE1 TYR 31 HE1 TYR 31 -10.742 -2.711 2.757 6 HE2 TYR 31 HE2 TYR 31 -10.368 -0.718 -0.997 7 HH TYR 31 HH TYR 31 -11.564 -3.349 0.150 8 H TYR 31 HN TYR 31 -5.315 -1.299 3.735 9 HB3 TYR 31 HB1 TYR 31 -7.197 1.265 1.854 No H/Q in entry = 9 In of MODEL 39 1 HA CYS 32 HA CYS 32 -2.386 1.611 1.202 2 HB2 CYS 32 HB2 CYS 32 -2.957 1.010 -1.375 3 H CYS 32 HN CYS 32 -4.669 0.555 -0.111 4 HB3 CYS 32 HB1 CYS 32 -3.143 2.760 -1.418 No H/Q in entry = 4 In of MODEL 39 1 HA THR 33 HA THR 33 -4.046 5.478 2.264 2 HB THR 33 HB THR 33 -1.963 6.956 3.018 3 HG1 THR 33 HG1 THR 33 -0.152 5.858 3.259 4 HG21 THR 33 HG21 THR 33 -3.202 4.610 4.359 5 HG23 THR 33 HG22 THR 33 -3.282 6.323 4.771 6 HG22 THR 33 HG23 THR 33 -1.817 5.402 5.110 7 H THR 33 HN THR 33 -1.802 3.772 1.575 No H/Q in entry = 7 In of MODEL 39 1 HA3 GLY 34 HA2 GLY 34 -1.362 6.908 -1.796 2 H GLY 34 HN GLY 34 -0.942 6.050 0.589 3 HA2 GLY 34 HA1 GLY 34 -2.292 8.152 -0.974 No H/Q in entry = 3 In of MODEL 39 1 HA ARG 35 HA ARG 35 1.474 10.096 0.095 2 HB2 ARG 35 HB2 ARG 35 0.220 10.390 2.317 3 HG2 ARG 35 HG2 ARG 35 3.193 10.838 2.204 4 HD2 ARG 35 HD2 ARG 35 1.422 12.473 3.927 5 HE ARG 35 HE ARG 35 4.122 12.359 3.610 6 HH11 ARG 35 HH11 ARG 35 1.962 11.850 6.304 7 HH12 ARG 35 HH12 ARG 35 3.111 12.376 7.487 8 HH21 ARG 35 HH21 ARG 35 5.635 13.051 5.165 9 HH22 ARG 35 HH22 ARG 35 5.197 13.059 6.841 10 H ARG 35 HN ARG 35 -0.368 8.209 1.284 11 HB3 ARG 35 HB1 ARG 35 1.405 9.281 2.992 12 HG3 ARG 35 HG1 ARG 35 1.919 11.977 1.762 13 HD3 ARG 35 HD1 ARG 35 1.853 10.865 4.508 No H/Q in entry = 13 In of MODEL 39 1 HA SER 36 HA SER 36 4.287 6.572 0.552 2 HB2 SER 36 HB2 SER 36 3.632 5.655 3.344 3 HG SER 36 HG SER 36 3.952 7.588 4.084 4 H SER 36 HN SER 36 1.563 6.907 1.540 5 HB3 SER 36 HB1 SER 36 5.215 5.850 2.591 No H/Q in entry = 5 In of MODEL 39 1 HA CYS 37 HA CYS 37 2.823 2.654 -0.489 2 HB2 CYS 37 HB2 CYS 37 5.738 2.003 -0.003 3 H CYS 37 HN CYS 37 4.947 4.314 0.439 4 HB3 CYS 37 HB1 CYS 37 4.600 0.982 -0.876 No H/Q in entry = 4 In of MODEL 39 1 HA GLU 38 HA GLU 38 3.936 0.441 3.604 2 HB2 GLU 38 HB2 GLU 38 5.570 2.362 4.395 3 HG2 GLU 38 HG2 GLU 38 5.071 0.007 5.434 4 H GLU 38 HN GLU 38 4.520 2.990 2.518 5 HB3 GLU 38 HB1 GLU 38 4.182 2.845 5.359 6 HG3 GLU 38 HG1 GLU 38 5.996 1.222 6.315 No H/Q in entry = 6 In of MODEL 39 1 HA CYS 39 HA CYS 39 -0.357 1.324 4.089 2 HB2 CYS 39 HB2 CYS 39 0.217 -1.465 3.769 3 H CYS 39 HN CYS 39 1.948 -0.321 3.878 4 HB3 CYS 39 HB1 CYS 39 -0.956 -1.274 5.067 No H/Q in entry = 4 In of MODEL 39 1 HA PRO 40 HA PRO 40 -0.569 2.104 8.422 2 HB2 PRO 40 HB2 PRO 40 -3.250 2.102 8.848 3 HG2 PRO 40 HG2 PRO 40 -3.950 1.096 6.876 4 HD2 PRO 40 HD2 PRO 40 -2.563 0.911 5.045 5 HB3 PRO 40 HB1 PRO 40 -2.414 3.407 7.999 6 HG3 PRO 40 HG1 PRO 40 -3.968 2.799 6.380 7 HD3 PRO 40 HD1 PRO 40 -2.019 2.596 5.165 No H/Q in entry = 7 In of MODEL 39 1 HA SER 41 HA SER 41 -1.231 -1.567 10.613 2 HB2 SER 41 HB2 SER 41 -0.566 0.092 12.410 3 HG SER 41 HG SER 41 -2.157 -2.164 13.032 4 H SER 41 HN SER 41 -1.660 1.270 10.483 5 HB3 SER 41 HB1 SER 41 -2.278 0.217 12.817 No H/Q in entry = 5 In of MODEL 39 1 HA TYR 42 HA TYR 42 -5.834 -1.568 11.235 2 HB2 TYR 42 HB2 TYR 42 -7.566 0.249 10.975 3 HD1 TYR 42 HD1 TYR 42 -7.467 1.552 8.881 4 HD2 TYR 42 HD2 TYR 42 -4.844 2.361 12.131 5 HE1 TYR 42 HE1 TYR 42 -6.932 3.740 7.895 6 HE2 TYR 42 HE2 TYR 42 -4.302 4.552 11.155 7 HH TYR 42 HH TYR 42 -4.383 5.491 8.579 8 H TYR 42 HN TYR 42 -3.986 0.591 10.615 9 HB3 TYR 42 HB1 TYR 42 -6.380 0.524 12.246 No H/Q in entry = 9 In of MODEL 39 1 HA PRO 43 HA PRO 43 -6.757 -2.592 7.045 2 HB2 PRO 43 HB2 PRO 43 -9.334 -3.408 7.266 3 HG2 PRO 43 HG2 PRO 43 -9.830 -2.547 9.364 4 HD2 PRO 43 HD2 PRO 43 -8.181 -1.860 10.819 5 HB3 PRO 43 HB1 PRO 43 -7.973 -4.360 7.871 6 HG3 PRO 43 HG1 PRO 43 -9.225 -4.151 9.820 7 HD3 PRO 43 HD1 PRO 43 -7.205 -3.319 10.554 No H/Q in entry = 7 In of MODEL 39 1 HA3 GLY 44 HA2 GLY 44 -9.565 1.718 7.907 2 H GLY 44 HN GLY 44 -8.835 -0.348 8.756 3 HA2 GLY 44 HA1 GLY 44 -9.206 1.152 6.283 No H/Q in entry = 3 In of MODEL 39 1 HA ASN 45 HA ASN 45 -13.561 0.465 6.502 2 HB2 ASN 45 HB2 ASN 45 -15.151 1.136 8.319 3 HD21 ASN 45 HD21 ASN 45 -14.999 1.530 10.769 4 HD22 ASN 45 HD22 ASN 45 -14.184 2.980 11.235 5 H ASN 45 HN ASN 45 -11.632 2.410 7.557 6 HB3 ASN 45 HB1 ASN 45 -13.747 0.239 8.890 No H/Q in entry = 6 In of MODEL 39 1 HA3 GLY 46 HA2 GLY 46 -14.841 4.325 4.814 2 H GLY 46 HN GLY 46 -12.386 2.752 5.239 3 HA2 GLY 46 HA1 GLY 46 -13.302 5.143 5.040 No H/Q in entry = 3 In of MODEL 40 1 H1 ALA 1 HT2 ALA 1 20.360 11.860 -3.317 2 H2 ALA 1 HT1 ALA 1 21.585 11.539 -4.475 3 H3 ALA 1 HT3 ALA 1 21.942 12.487 -3.093 4 HA ALA 1 HA ALA 1 20.782 14.272 -3.831 5 HB3 ALA 1 HB1 ALA 1 21.939 14.856 -5.703 6 HB2 ALA 1 HB2 ALA 1 21.621 13.323 -6.515 7 HB1 ALA 1 HB3 ALA 1 22.846 13.413 -5.249 No H/Q in entry = 7 In of MODEL 40 1 HA MET 2 HA MET 2 17.226 12.627 -6.085 2 HB2 MET 2 HB2 MET 2 18.761 12.241 -8.091 3 H MET 2 HN MET 2 19.771 11.323 -5.405 4 HG2 MET 2 HG2 MET 2 16.167 10.739 -8.273 5 HE3 MET 2 HE1 MET 2 15.683 12.704 -11.859 6 HB3 MET 2 HB1 MET 2 18.489 10.523 -7.833 7 HE2 MET 2 HE2 MET 2 16.429 13.838 -10.732 8 HE1 MET 2 HE3 MET 2 15.066 12.845 -10.213 9 HG3 MET 2 HG1 MET 2 16.265 12.499 -8.251 No H/Q in entry = 9 In of MODEL 40 1 HA ASP 3 HA ASP 3 15.715 8.820 -4.533 2 HB2 ASP 3 HB2 ASP 3 15.791 10.712 -2.185 3 H ASP 3 HN ASP 3 15.902 11.752 -4.606 4 HB3 ASP 3 HB1 ASP 3 15.121 9.088 -2.061 No H/Q in entry = 4 In of MODEL 40 1 HA CYS 4 HA CYS 4 11.409 9.979 -3.570 2 HB2 CYS 4 HB2 CYS 4 10.189 8.928 -5.398 3 H CYS 4 HN CYS 4 13.598 8.128 -3.466 4 HB3 CYS 4 HB1 CYS 4 11.740 9.529 -5.975 No H/Q in entry = 4 In of MODEL 40 1 HA THR 5 HA THR 5 9.409 6.911 -1.270 2 HB THR 5 HB THR 5 7.414 8.212 -1.876 3 HG1 THR 5 HG1 THR 5 7.261 6.277 -0.556 4 HG23 THR 5 HG21 THR 5 6.410 8.098 -3.836 5 HG22 THR 5 HG22 THR 5 6.148 6.365 -3.641 6 HG21 THR 5 HG23 THR 5 7.641 6.954 -4.371 7 H THR 5 HN THR 5 9.264 8.399 -3.712 No H/Q in entry = 7 In of MODEL 40 1 HA THR 6 HA THR 6 8.433 2.898 -3.253 2 HB THR 6 HB THR 6 10.736 3.141 -3.651 3 HG1 THR 6 HG1 THR 6 10.404 0.991 -3.570 4 HG22 THR 6 HG21 THR 6 11.291 2.858 -0.709 5 HG21 THR 6 HG22 THR 6 11.312 4.378 -1.603 6 HG23 THR 6 HG23 THR 6 12.472 3.109 -1.995 7 H THR 6 HN THR 6 8.543 4.676 -1.090 No H/Q in entry = 7 In of MODEL 40 1 HA3 GLY 7 HA2 GLY 7 8.418 -0.530 -0.225 2 H GLY 7 HN GLY 7 8.123 0.699 -2.596 3 HA2 GLY 7 HA1 GLY 7 7.046 0.522 0.091 No H/Q in entry = 3 In of MODEL 40 1 HA PRO 8 HA PRO 8 5.312 -3.395 -1.611 2 HB2 PRO 8 HB2 PRO 8 3.291 -3.639 0.150 3 HG2 PRO 8 HG2 PRO 8 3.515 -1.639 1.307 4 HD2 PRO 8 HD2 PRO 8 5.415 -0.365 1.143 5 HB3 PRO 8 HB1 PRO 8 4.936 -4.158 0.535 6 HG3 PRO 8 HG1 PRO 8 4.552 -2.685 2.294 7 HD3 PRO 8 HD1 PRO 8 6.481 -1.742 1.486 No H/Q in entry = 7 In of MODEL 40 1 HA CYS 9 HA CYS 9 1.410 -0.944 -2.354 2 HB2 CYS 9 HB2 CYS 9 1.005 0.067 -0.142 3 H CYS 9 HN CYS 9 3.606 -0.479 -0.526 4 HB3 CYS 9 HB1 CYS 9 2.009 1.442 -0.591 No H/Q in entry = 4 In of MODEL 40 1 HA CYS 10 HA CYS 10 2.950 1.078 -5.828 2 HB2 CYS 10 HB2 CYS 10 5.286 2.196 -5.655 3 H CYS 10 HN CYS 10 3.418 -0.943 -3.993 4 HB3 CYS 10 HB1 CYS 10 4.005 2.738 -4.578 No H/Q in entry = 4 In of MODEL 40 1 HA ARG 11 HA ARG 11 5.994 -1.495 -7.764 2 HB2 ARG 11 HB2 ARG 11 3.894 -1.094 -9.211 3 HG2 ARG 11 HG2 ARG 11 5.996 -2.717 -9.628 4 HD2 ARG 11 HD2 ARG 11 5.792 -0.940 -12.054 5 HE ARG 11 HE ARG 11 6.343 -3.645 -12.081 6 HH11 ARG 11 HH11 ARG 11 7.979 -0.702 -12.996 7 HH12 ARG 11 HH12 ARG 11 8.893 -1.455 -14.260 8 HH21 ARG 11 HH21 ARG 11 7.543 -4.637 -13.743 9 HH22 ARG 11 HH22 ARG 11 8.645 -3.689 -14.684 10 H ARG 11 HN ARG 11 4.673 1.134 -7.589 11 HB3 ARG 11 HB1 ARG 11 4.920 -0.024 -10.158 12 HG3 ARG 11 HG1 ARG 11 4.592 -2.628 -10.694 13 HD3 ARG 11 HD1 ARG 11 7.208 -1.164 -11.028 No H/Q in entry = 13 In of MODEL 40 1 HA GLN 12 HA GLN 12 10.013 0.363 -7.295 2 HB2 GLN 12 HB2 GLN 12 9.985 -0.939 -9.392 3 HG2 GLN 12 HG2 GLN 12 11.202 1.729 -10.017 4 HE21 GLN 12 HE21 GLN 12 11.987 1.573 -11.981 5 HE22 GLN 12 HE22 GLN 12 12.705 0.169 -12.688 6 H GLN 12 HN GLN 12 7.953 -0.565 -7.034 7 HB3 GLN 12 HB1 GLN 12 9.253 0.427 -10.221 8 HG3 GLN 12 HG1 GLN 12 11.906 0.626 -8.835 No H/Q in entry = 8 In of MODEL 40 1 HA CYS 13 HA CYS 13 8.695 4.426 -5.794 2 HB2 CYS 13 HB2 CYS 13 10.946 4.548 -6.786 3 H CYS 13 HN CYS 13 8.948 2.193 -6.138 4 HB3 CYS 13 HB1 CYS 13 10.231 4.666 -8.390 No H/Q in entry = 4 In of MODEL 40 1 HA LYS 14 HA LYS 14 5.164 5.790 -7.827 2 HB2 LYS 14 HB2 LYS 14 6.130 3.940 -9.528 3 HG2 LYS 14 HG2 LYS 14 3.388 5.003 -10.074 4 HD2 LYS 14 HD2 LYS 14 5.839 4.999 -11.815 5 HE2 LYS 14 HE2 LYS 14 2.879 5.193 -12.339 6 HZ3 LYS 14 HZ1 LYS 14 3.515 5.392 -14.676 7 HZ2 LYS 14 HZ2 LYS 14 3.889 3.862 -14.060 8 HZ1 LYS 14 HZ3 LYS 14 5.115 5.005 -14.284 9 H LYS 14 HN LYS 14 6.394 3.793 -6.296 10 HB3 LYS 14 HB1 LYS 14 4.570 3.213 -9.168 11 HG3 LYS 14 HG1 LYS 14 4.784 6.081 -10.000 12 HD3 LYS 14 HD1 LYS 14 4.733 3.626 -11.737 13 HE3 LYS 14 HE1 LYS 14 4.097 6.441 -12.602 No H/Q in entry = 13 In of MODEL 40 1 HA LEU 15 HA LEU 15 2.531 4.040 -4.672 2 HB2 LEU 15 HB2 LEU 15 0.791 5.873 -4.209 3 HG LEU 15 HG LEU 15 1.809 7.156 -6.394 4 HD12 LEU 15 HD11 LEU 15 0.825 9.245 -5.082 5 HD11 LEU 15 HD12 LEU 15 0.248 7.968 -4.011 6 HD13 LEU 15 HD13 LEU 15 -0.202 7.960 -5.716 7 HD21 LEU 15 HD21 LEU 15 3.871 7.465 -4.744 8 HD23 LEU 15 HD22 LEU 15 2.892 8.829 -4.201 9 HD22 LEU 15 HD23 LEU 15 3.384 8.714 -5.891 10 H LEU 15 HN LEU 15 3.773 6.051 -6.152 11 HB3 LEU 15 HB1 LEU 15 2.447 6.147 -3.704 No H/Q in entry = 11 In of MODEL 40 1 HA LYS 16 HA LYS 16 -0.384 2.601 -7.556 2 HB2 LYS 16 HB2 LYS 16 -1.373 1.267 -5.037 3 HG2 LYS 16 HG2 LYS 16 1.045 0.852 -5.279 4 HD2 LYS 16 HD2 LYS 16 0.212 0.294 -8.046 5 HE2 LYS 16 HE2 LYS 16 1.853 -1.418 -8.434 6 HZ2 LYS 16 HZ1 LYS 16 0.668 -3.172 -7.653 7 HZ1 LYS 16 HZ2 LYS 16 -0.465 -1.952 -7.354 8 HZ3 LYS 16 HZ3 LYS 16 0.502 -2.535 -6.094 9 H LYS 16 HN LYS 16 0.767 2.804 -4.950 10 HB3 LYS 16 HB1 LYS 16 -1.609 0.734 -6.695 11 HG3 LYS 16 HG1 LYS 16 0.066 -0.600 -5.494 12 HD3 LYS 16 HD1 LYS 16 1.767 0.842 -7.416 13 HE3 LYS 16 HE1 LYS 16 2.342 -1.391 -6.741 No H/Q in entry = 13 In of MODEL 40 1 HA PRO 17 HA PRO 17 -3.905 5.232 -7.455 2 HB2 PRO 17 HB2 PRO 17 -5.544 2.829 -8.107 3 HG2 PRO 17 HG2 PRO 17 -4.279 2.254 -9.974 4 HD2 PRO 17 HD2 PRO 17 -2.875 1.528 -8.294 5 HB3 PRO 17 HB1 PRO 17 -5.465 4.393 -8.926 6 HG3 PRO 17 HG1 PRO 17 -3.512 3.852 -10.055 7 HD3 PRO 17 HD1 PRO 17 -1.785 2.720 -9.031 No H/Q in entry = 7 In of MODEL 40 1 HA ALA 18 HA ALA 18 -5.567 4.749 -3.479 2 HB1 ALA 18 HB1 ALA 18 -6.101 7.139 -4.162 3 HB2 ALA 18 HB2 ALA 18 -7.137 6.414 -2.933 4 HB3 ALA 18 HB3 ALA 18 -7.702 6.543 -4.598 5 H ALA 18 HN ALA 18 -5.442 5.896 -6.023 No H/Q in entry = 5 In of MODEL 40 1 HA3 GLY 19 HA2 GLY 19 -8.820 1.959 -2.638 2 H GLY 19 HN GLY 19 -6.442 2.864 -2.938 3 HA2 GLY 19 HA1 GLY 19 -8.837 1.953 -4.395 No H/Q in entry = 3 In of MODEL 40 1 HA THR 20 HA THR 20 -6.299 -1.600 -4.698 2 HB THR 20 HB THR 20 -3.615 -0.337 -4.219 3 HG1 THR 20 HG1 THR 20 -5.087 -0.208 -6.637 4 HG23 THR 20 HG21 THR 20 -3.482 -2.666 -4.645 5 HG22 THR 20 HG22 THR 20 -2.976 -1.827 -6.111 6 HG21 THR 20 HG23 THR 20 -4.586 -2.540 -6.014 7 H THR 20 HN THR 20 -5.966 1.169 -4.475 No H/Q in entry = 7 In of MODEL 40 1 HA THR 21 HA THR 21 -5.174 -2.742 -0.626 2 HB THR 21 HB THR 21 -5.026 -5.379 -0.649 3 HG1 THR 21 HG1 THR 21 -5.280 -6.251 -2.526 4 HG22 THR 21 HG21 THR 21 -7.653 -5.065 -1.522 5 HG21 THR 21 HG22 THR 21 -7.230 -3.546 -0.733 6 HG23 THR 21 HG23 THR 21 -7.065 -5.069 0.140 7 H THR 21 HN THR 21 -5.019 -3.264 -3.514 No H/Q in entry = 7 In of MODEL 40 1 HA CYS 22 HA CYS 22 -0.892 -3.464 -0.469 2 HB2 CYS 22 HB2 CYS 22 -1.922 -3.144 2.327 3 H CYS 22 HN CYS 22 -3.527 -3.518 0.766 4 HB3 CYS 22 HB1 CYS 22 -0.226 -3.538 2.064 No H/Q in entry = 4 In of MODEL 40 1 HA TRP 23 HA TRP 23 -0.593 -7.653 1.275 2 HB2 TRP 23 HB2 TRP 23 -0.098 -6.758 3.590 3 HD1 TRP 23 HD1 TRP 23 0.663 -9.346 1.818 4 HE1 TRP 23 HE1 TRP 23 1.223 -11.544 3.034 5 HE3 TRP 23 HE3 TRP 23 -1.623 -8.404 6.293 6 HZ2 TRP 23 HZ2 TRP 23 0.757 -12.723 5.556 7 HZ3 TRP 23 HZ3 TRP 23 -1.519 -10.119 8.055 8 HH2 TRP 23 HH2 TRP 23 -0.354 -12.233 7.692 9 H TRP 23 HN TRP 23 -2.068 -5.338 2.314 10 HB3 TRP 23 HB1 TRP 23 -1.707 -7.296 4.060 No H/Q in entry = 10 In of MODEL 40 1 HA ARG 24 HA ARG 24 -4.362 -10.019 1.805 2 HB2 ARG 24 HB2 ARG 24 -4.351 -9.010 -0.455 3 HG2 ARG 24 HG2 ARG 24 -5.360 -11.764 -0.027 4 HD2 ARG 24 HD2 ARG 24 -5.889 -10.440 -2.645 5 HE ARG 24 HE ARG 24 -7.104 -12.363 -2.736 6 HH11 ARG 24 HH11 ARG 24 -4.059 -13.069 -1.183 7 HH12 ARG 24 HH12 ARG 24 -4.359 -14.772 -1.090 8 HH21 ARG 24 HH21 ARG 24 -7.500 -14.602 -2.615 9 HH22 ARG 24 HH22 ARG 24 -6.311 -15.643 -1.904 10 H ARG 24 HN ARG 24 -1.543 -9.724 1.240 11 HB3 ARG 24 HB1 ARG 24 -3.353 -10.339 -1.027 12 HG3 ARG 24 HG1 ARG 24 -6.238 -10.274 -0.375 13 HD3 ARG 24 HD1 ARG 24 -4.436 -11.420 -2.456 No H/Q in entry = 13 In of MODEL 40 1 HA THR 25 HA THR 25 -2.264 -13.939 2.061 2 HB THR 25 HB THR 25 -1.136 -13.153 4.019 3 HG1 THR 25 HG1 THR 25 -2.728 -15.356 4.820 4 HG21 THR 25 HG21 THR 25 -3.825 -13.198 5.350 5 HG23 THR 25 HG22 THR 25 -2.726 -11.832 5.152 6 HG22 THR 25 HG23 THR 25 -2.303 -13.154 6.241 7 H THR 25 HN THR 25 -3.527 -11.586 3.258 No H/Q in entry = 7 In of MODEL 40 1 HA SER 26 HA SER 26 -6.796 -14.880 2.709 2 HB2 SER 26 HB2 SER 26 -5.700 -16.595 3.931 3 HG SER 26 HG SER 26 -7.650 -16.167 5.840 4 H SER 26 HN SER 26 -5.129 -12.951 3.847 5 HB3 SER 26 HB1 SER 26 -5.652 -15.620 5.400 No H/Q in entry = 5 In of MODEL 40 1 HA VAL 27 HA VAL 27 -8.957 -12.127 5.596 2 HB VAL 27 HB VAL 27 -8.402 -13.459 7.589 3 H VAL 27 HN VAL 27 -6.128 -12.949 5.576 No H/Q in entry = 3 In of MODEL 40 1 HA SER 28 HA SER 28 -6.297 -8.365 6.480 2 HB2 SER 28 HB2 SER 28 -3.586 -9.631 6.019 3 HG SER 28 HG SER 28 -4.020 -10.401 7.943 4 H SER 28 HN SER 28 -5.618 -11.143 6.159 5 HB3 SER 28 HB1 SER 28 -3.889 -7.992 6.594 No H/Q in entry = 5 In of MODEL 40 1 HA SER 29 HA SER 29 -5.956 -7.909 2.095 2 HB2 SER 29 HB2 SER 29 -7.986 -6.743 1.210 3 HG SER 29 HG SER 29 -9.211 -5.732 2.566 4 H SER 29 HN SER 29 -7.214 -7.483 4.702 5 HB3 SER 29 HB1 SER 29 -8.354 -8.212 2.113 No H/Q in entry = 5 In of MODEL 40 1 HA HIS 30 HA HIS 30 -5.896 -3.271 4.692 2 HB2 HIS 30 HB2 HIS 30 -3.738 -4.565 3.087 3 HD1 HIS 30 HD1 HIS 30 -1.836 -2.520 4.918 4 HD2 HIS 30 HD2 HIS 30 -4.559 -5.416 6.129 5 HE1 HIS 30 HE1 HIS 30 -1.147 -3.157 7.252 6 HE2 HIS 30 HE2 HIS 30 -2.862 -4.846 7.996 7 H HIS 30 HN HIS 30 -6.637 -5.408 4.455 8 HB3 HIS 30 HB1 HIS 30 -3.697 -2.815 3.281 No H/Q in entry = 8 In of MODEL 40 1 HA TYR 31 HA TYR 31 -6.377 -1.104 0.771 2 HB2 TYR 31 HB2 TYR 31 -8.094 0.103 2.949 3 HD1 TYR 31 HD1 TYR 31 -9.683 -1.330 3.785 4 HD2 TYR 31 HD2 TYR 31 -8.282 -1.937 -0.186 5 HE1 TYR 31 HE1 TYR 31 -11.167 -3.278 3.566 6 HE2 TYR 31 HE2 TYR 31 -9.763 -3.886 -0.416 7 HH TYR 31 HH TYR 31 -12.298 -4.513 1.537 8 H TYR 31 HN TYR 31 -5.601 -1.184 3.567 9 HB3 TYR 31 HB1 TYR 31 -8.279 0.444 1.232 No H/Q in entry = 9 In of MODEL 40 1 HA CYS 32 HA CYS 32 -3.372 2.070 1.583 2 HB2 CYS 32 HB2 CYS 32 -2.986 0.788 -0.873 3 H CYS 32 HN CYS 32 -4.664 0.062 0.112 4 HB3 CYS 32 HB1 CYS 32 -3.158 2.492 -1.279 No H/Q in entry = 4 In of MODEL 40 1 HA THR 33 HA THR 33 -5.854 5.455 0.287 2 HB THR 33 HB THR 33 -4.828 6.193 2.354 3 HG1 THR 33 HG1 THR 33 -4.692 8.305 0.471 4 HG21 THR 33 HG21 THR 33 -2.429 6.227 0.908 5 HG23 THR 33 HG22 THR 33 -2.683 6.643 2.603 6 HG22 THR 33 HG23 THR 33 -2.762 7.898 1.366 7 H THR 33 HN THR 33 -3.139 4.377 0.648 No H/Q in entry = 7 In of MODEL 40 1 HA3 GLY 34 HA2 GLY 34 -2.114 5.824 -3.250 2 H GLY 34 HN GLY 34 -2.584 5.459 -0.947 3 HA2 GLY 34 HA1 GLY 34 -3.564 6.810 -3.361 No H/Q in entry = 3 In of MODEL 40 1 HA ARG 35 HA ARG 35 -0.515 9.804 -1.903 2 HB2 ARG 35 HB2 ARG 35 -1.893 9.573 0.345 3 HG2 ARG 35 HG2 ARG 35 -0.981 11.695 -0.621 4 HD2 ARG 35 HD2 ARG 35 1.382 10.807 0.984 5 HE ARG 35 HE ARG 35 0.389 13.411 1.159 6 HH11 ARG 35 HH11 ARG 35 3.356 11.770 0.330 7 HH12 ARG 35 HH12 ARG 35 4.368 13.082 0.832 8 HH21 ARG 35 HH21 ARG 35 1.720 15.138 1.820 9 HH22 ARG 35 HH22 ARG 35 3.440 14.993 1.679 10 H ARG 35 HN ARG 35 -1.322 7.225 -0.732 11 HB3 ARG 35 HB1 ARG 35 -0.301 9.273 1.027 12 HG3 ARG 35 HG1 ARG 35 -1.068 11.643 1.141 13 HD3 ARG 35 HD1 ARG 35 1.331 11.484 -0.643 No H/Q in entry = 13 In of MODEL 40 1 HA SER 36 HA SER 36 3.249 7.305 -1.257 2 HB2 SER 36 HB2 SER 36 2.895 8.509 1.103 3 HG SER 36 HG SER 36 4.974 8.648 0.919 4 H SER 36 HN SER 36 0.580 6.918 -0.242 5 HB3 SER 36 HB1 SER 36 3.202 6.875 1.690 No H/Q in entry = 5 In of MODEL 40 1 HA CYS 37 HA CYS 37 3.351 3.004 -1.026 2 HB2 CYS 37 HB2 CYS 37 6.181 3.568 -0.126 3 H CYS 37 HN CYS 37 4.702 5.445 -0.435 4 HB3 CYS 37 HB1 CYS 37 5.598 1.972 -0.587 No H/Q in entry = 4 In of MODEL 40 1 HA GLU 38 HA GLU 38 4.354 2.448 3.672 2 HB2 GLU 38 HB2 GLU 38 4.015 5.395 3.929 3 HG2 GLU 38 HG2 GLU 38 5.721 3.619 5.622 4 H GLU 38 HN GLU 38 4.370 4.607 1.897 5 HB3 GLU 38 HB1 GLU 38 3.553 4.399 5.302 6 HG3 GLU 38 HG1 GLU 38 6.228 4.085 3.999 No H/Q in entry = 6 In of MODEL 40 1 HA CYS 39 HA CYS 39 0.020 1.607 3.114 2 HB2 CYS 39 HB2 CYS 39 1.242 -0.695 4.649 3 H CYS 39 HN CYS 39 2.707 1.025 3.628 4 HB3 CYS 39 HB1 CYS 39 -0.438 -0.629 4.127 No H/Q in entry = 4 In of MODEL 40 1 HA PRO 40 HA PRO 40 -1.668 3.502 6.711 2 HB2 PRO 40 HB2 PRO 40 -3.815 1.441 6.540 3 HG2 PRO 40 HG2 PRO 40 -4.345 1.920 4.325 4 HD2 PRO 40 HD2 PRO 40 -2.398 0.720 4.027 5 HB3 PRO 40 HB1 PRO 40 -3.948 3.202 6.623 6 HG3 PRO 40 HG1 PRO 40 -3.493 3.475 4.365 7 HD3 PRO 40 HD1 PRO 40 -1.866 2.245 3.291 No H/Q in entry = 7 In of MODEL 40 1 HA SER 41 HA SER 41 -1.361 0.409 9.900 2 HB2 SER 41 HB2 SER 41 -1.119 1.755 12.088 3 HG SER 41 HG SER 41 -1.749 3.743 12.007 4 H SER 41 HN SER 41 -2.678 2.849 8.903 5 HB3 SER 41 HB1 SER 41 -0.017 2.140 10.765 No H/Q in entry = 5 In of MODEL 40 1 HA TYR 42 HA TYR 42 -5.432 -0.475 11.184 2 HB2 TYR 42 HB2 TYR 42 -5.790 2.453 10.847 3 HD1 TYR 42 HD1 TYR 42 -4.822 3.376 12.716 4 HD2 TYR 42 HD2 TYR 42 -6.870 -0.333 13.103 5 HE1 TYR 42 HE1 TYR 42 -4.338 3.368 15.127 6 HE2 TYR 42 HE2 TYR 42 -6.393 -0.351 15.516 7 HH TYR 42 HH TYR 42 -4.779 0.623 17.081 8 H TYR 42 HN TYR 42 -4.107 0.785 9.022 9 HB3 TYR 42 HB1 TYR 42 -7.248 1.507 11.131 No H/Q in entry = 9 In of MODEL 40 1 HA PRO 43 HA PRO 43 -6.961 -1.578 6.964 2 HB2 PRO 43 HB2 PRO 43 -7.874 -3.855 8.659 3 HG2 PRO 43 HG2 PRO 43 -5.718 -4.513 9.239 4 HD2 PRO 43 HD2 PRO 43 -5.959 -2.672 10.607 5 HB3 PRO 43 HB1 PRO 43 -7.112 -3.874 7.064 6 HG3 PRO 43 HG1 PRO 43 -4.983 -3.565 7.933 7 HD3 PRO 43 HD1 PRO 43 -4.573 -2.095 9.659 No H/Q in entry = 7 In of MODEL 40 1 HA3 GLY 44 HA2 GLY 44 -10.649 -0.810 10.705 2 H GLY 44 HN GLY 44 -8.527 -1.440 10.097 3 HA2 GLY 44 HA1 GLY 44 -10.811 -0.123 9.096 No H/Q in entry = 3 In of MODEL 40 1 HA ASN 45 HA ASN 45 -13.126 -4.022 9.067 2 HB2 ASN 45 HB2 ASN 45 -13.516 -3.725 12.020 3 HD21 ASN 45 HD21 ASN 45 -13.311 -6.244 9.529 4 HD22 ASN 45 HD22 ASN 45 -11.937 -7.041 10.209 5 H ASN 45 HN ASN 45 -12.532 -1.864 10.974 6 HB3 ASN 45 HB1 ASN 45 -14.585 -4.794 11.117 No H/Q in entry = 6 In of MODEL 40 1 HA3 GLY 46 HA2 GLY 46 -16.833 -1.373 9.118 2 H GLY 46 HN GLY 46 -14.822 -1.741 11.228 3 HA2 GLY 46 HA1 GLY 46 -17.370 -1.846 10.723 No H/Q in entry = 3
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