NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
496843 | 2xks | 17165 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ILE 2 HA ILE 2 -21.711 -8.973 -4.585 2 HB ILE 2 HB ILE 2 -21.839 -6.911 -6.116 3 HG12 ILE 2 HG12 ILE 2 -24.266 -6.090 -6.317 4 HG13 ILE 2 HG13 ILE 2 -24.496 -6.718 -4.693 5 HG21 ILE 2 HG21 ILE 2 -24.011 -8.994 -6.128 6 HG22 ILE 2 HG22 ILE 2 -23.570 -7.982 -7.501 7 HG23 ILE 2 HG23 ILE 2 -22.406 -9.132 -6.846 8 HD11 ILE 2 HD11 ILE 2 -22.767 -5.205 -3.867 9 HD12 ILE 2 HD12 ILE 2 -22.540 -4.577 -5.501 10 HD13 ILE 2 HD13 ILE 2 -24.073 -4.331 -4.667 11 H GLN 3 H GLN 3 -20.243 -6.878 -5.388 12 HA GLN 3 HA GLN 3 -19.492 -4.999 -3.480 13 HB2 GLN 3 HB2 GLN 3 -19.035 -7.347 -2.312 14 HB3 GLN 3 HB3 GLN 3 -17.576 -7.290 -3.281 15 HG2 GLN 3 HG2 GLN 3 -16.975 -6.407 -1.180 16 HG3 GLN 3 HG3 GLN 3 -17.140 -5.014 -2.254 17 HE21 GLN 3 HE21 GLN 3 -18.977 -3.667 -2.029 18 HE22 GLN 3 HE22 GLN 3 -19.883 -3.642 -0.559 19 H ARG 4 H ARG 4 -16.956 -4.525 -3.820 20 HA ARG 4 HA ARG 4 -16.354 -4.914 -6.675 21 HB2 ARG 4 HB2 ARG 4 -17.158 -2.720 -6.661 22 HB3 ARG 4 HB3 ARG 4 -16.433 -2.361 -5.109 23 HG2 ARG 4 HG2 ARG 4 -14.347 -1.930 -6.007 24 HG3 ARG 4 HG3 ARG 4 -14.639 -2.944 -7.426 25 HD2 ARG 4 HD2 ARG 4 -14.604 -0.414 -7.784 26 HD3 ARG 4 HD3 ARG 4 -15.965 -1.308 -8.464 27 HE ARG 4 HE ARG 4 -17.215 -0.558 -6.411 28 HH11 ARG 4 HH11 ARG 4 -14.531 1.279 -7.711 29 HH12 ARG 4 HH12 ARG 4 -15.117 2.797 -7.105 30 HH21 ARG 4 HH21 ARG 4 -18.003 1.446 -5.629 31 HH22 ARG 4 HH22 ARG 4 -17.090 2.902 -5.930 32 H THR 5 H THR 5 -14.221 -5.198 -7.228 33 HA THR 5 HA THR 5 -12.594 -6.202 -5.089 34 HB THR 5 HB THR 5 -11.081 -7.021 -6.792 35 HG1 THR 5 HG1 THR 5 -11.967 -4.923 -8.178 36 HG21 THR 5 HG21 THR 5 -14.005 -7.361 -7.332 37 HG22 THR 5 HG22 THR 5 -12.810 -8.120 -8.385 38 HG23 THR 5 HG23 THR 5 -12.846 -8.509 -6.669 No H/Q in entry = 38 In of MODEL 1 1 HA PRO 6 HA PRO 6 -10.429 -2.288 -4.669 2 HB2 PRO 6 HB2 PRO 6 -8.818 -3.584 -2.631 3 HB3 PRO 6 HB3 PRO 6 -9.999 -2.284 -2.454 4 HG2 PRO 6 HG2 PRO 6 -10.371 -4.837 -1.516 5 HG3 PRO 6 HG3 PRO 6 -11.693 -3.714 -1.925 6 HD2 PRO 6 HD2 PRO 6 -10.607 -6.033 -3.479 7 HD3 PRO 6 HD3 PRO 6 -12.272 -5.410 -3.365 8 H LYS 7 H LYS 7 -8.642 -1.596 -5.662 9 HA LYS 7 HA LYS 7 -6.874 -3.683 -6.732 10 HB2 LYS 7 HB2 LYS 7 -8.193 -2.309 -8.355 11 HB3 LYS 7 HB3 LYS 7 -7.375 -0.872 -7.764 12 HG2 LYS 7 HG2 LYS 7 -5.240 -1.765 -8.542 13 HG3 LYS 7 HG3 LYS 7 -6.061 -3.213 -9.129 14 HD2 LYS 7 HD2 LYS 7 -5.702 -1.722 -10.979 15 HD3 LYS 7 HD3 LYS 7 -7.428 -1.768 -10.620 16 HE2 LYS 7 HE2 LYS 7 -6.739 0.508 -11.050 17 HE3 LYS 7 HE3 LYS 7 -7.190 0.334 -9.352 18 HZ1 LYS 7 HZ1 LYS 7 -4.397 0.226 -10.361 19 HZ2 LYS 7 HZ2 LYS 7 -5.122 1.619 -9.717 20 HZ3 LYS 7 HZ3 LYS 7 -4.893 0.252 -8.743 21 H ILE 8 H ILE 8 -4.603 -3.147 -6.968 22 HA ILE 8 HA ILE 8 -3.729 -1.738 -4.532 23 HB ILE 8 HB ILE 8 -1.854 -3.489 -6.023 24 HG12 ILE 8 HG12 ILE 8 -3.945 -4.809 -6.033 25 HG13 ILE 8 HG13 ILE 8 -2.702 -5.535 -5.030 26 HG21 ILE 8 HG21 ILE 8 -1.140 -2.317 -4.030 27 HG22 ILE 8 HG22 ILE 8 -2.435 -3.067 -3.097 28 HG23 ILE 8 HG23 ILE 8 -1.131 -4.058 -3.751 29 HD11 ILE 8 HD11 ILE 8 -3.806 -4.585 -3.049 30 HD12 ILE 8 HD12 ILE 8 -5.099 -3.994 -4.093 31 HD13 ILE 8 HD13 ILE 8 -4.805 -5.729 -3.942 32 H GLN 9 H GLN 9 -2.634 0.132 -4.782 33 HA GLN 9 HA GLN 9 -0.723 0.210 -7.019 34 HB2 GLN 9 HB2 GLN 9 -1.837 2.130 -7.553 35 HB3 GLN 9 HB3 GLN 9 -2.392 2.401 -5.909 36 HG2 GLN 9 HG2 GLN 9 0.466 2.660 -6.175 37 HG3 GLN 9 HG3 GLN 9 -0.391 3.710 -7.305 38 HE21 GLN 9 HE21 GLN 9 0.355 3.068 -3.992 39 HE22 GLN 9 HE22 GLN 9 -0.351 4.517 -3.342 40 H VAL 10 H VAL 10 1.333 0.425 -6.501 41 HA VAL 10 HA VAL 10 2.068 1.194 -3.780 42 HB VAL 10 HB VAL 10 3.521 -1.048 -5.158 43 HG11 VAL 10 HG11 VAL 10 4.619 0.090 -3.297 44 HG12 VAL 10 HG12 VAL 10 3.250 -0.296 -2.256 45 HG13 VAL 10 HG13 VAL 10 4.252 -1.592 -2.908 46 HG21 VAL 10 HG21 VAL 10 1.196 -1.779 -4.993 47 HG22 VAL 10 HG22 VAL 10 2.266 -2.701 -3.942 48 HG23 VAL 10 HG23 VAL 10 1.225 -1.449 -3.260 49 H TYR 11 H TYR 11 3.486 2.824 -3.940 50 HA TYR 11 HA TYR 11 5.668 2.688 -5.743 51 HB2 TYR 11 HB2 TYR 11 5.220 4.591 -7.161 52 HB3 TYR 11 HB3 TYR 11 3.874 3.475 -7.305 53 HD1 TYR 11 HD1 TYR 11 4.946 6.662 -5.756 54 HD2 TYR 11 HD2 TYR 11 1.647 4.188 -6.858 55 HE1 TYR 11 HE1 TYR 11 3.410 8.518 -5.296 56 HE2 TYR 11 HE2 TYR 11 0.109 6.038 -6.392 57 HH TYR 11 HH TYR 11 0.049 8.115 -5.063 58 H SER 12 H SER 12 6.984 4.736 -5.595 59 HA SER 12 HA SER 12 7.127 5.404 -2.768 60 HB2 SER 12 HB2 SER 12 9.175 4.716 -3.977 61 HB3 SER 12 HB3 SER 12 8.981 6.085 -5.057 62 HG SER 12 HG SER 12 9.911 7.293 -3.637 63 H ARG 13 H ARG 13 6.652 7.327 -1.917 64 HA ARG 13 HA ARG 13 4.832 8.968 -3.327 65 HB2 ARG 13 HB2 ARG 13 4.903 8.705 -0.814 66 HB3 ARG 13 HB3 ARG 13 6.371 9.665 -0.787 67 HG2 ARG 13 HG2 ARG 13 3.844 10.831 -1.915 68 HG3 ARG 13 HG3 ARG 13 4.128 10.767 -0.180 69 HD2 ARG 13 HD2 ARG 13 6.069 11.978 -2.134 70 HD3 ARG 13 HD3 ARG 13 4.818 12.898 -1.310 71 HE ARG 13 HE ARG 13 7.283 11.915 -0.190 72 HH11 ARG 13 HH11 ARG 13 4.036 13.024 0.502 73 HH12 ARG 13 HH12 ARG 13 4.397 13.455 2.149 74 HH21 ARG 13 HH21 ARG 13 7.778 12.508 1.950 75 HH22 ARG 13 HH22 ARG 13 6.533 13.170 2.976 76 H HIS 14 H HIS 14 8.252 9.280 -2.731 77 HA HIS 14 HA HIS 14 8.332 11.426 -4.728 78 HB2 HIS 14 HB2 HIS 14 9.674 11.288 -2.058 79 HB3 HIS 14 HB3 HIS 14 10.530 12.094 -3.368 80 HD2 HIS 14 HD2 HIS 14 7.284 13.209 -4.337 81 HE1 HIS 14 HE1 HIS 14 8.091 15.636 -0.967 82 HE2 HIS 14 HE2 HIS 14 6.534 15.249 -2.931 No H/Q in entry = 82 In of MODEL 1 1 HA PRO 15 HA PRO 15 11.445 9.210 -7.034 2 HB2 PRO 15 HB2 PRO 15 13.922 10.405 -6.431 3 HB3 PRO 15 HB3 PRO 15 12.851 10.816 -7.784 4 HG2 PRO 15 HG2 PRO 15 13.165 12.190 -5.125 5 HG3 PRO 15 HG3 PRO 15 12.775 12.881 -6.735 6 HD2 PRO 15 HD2 PRO 15 10.884 12.563 -4.830 7 HD3 PRO 15 HD3 PRO 15 10.519 12.327 -6.566 8 H ALA 16 H ALA 16 12.398 7.293 -6.677 9 HA ALA 16 HA ALA 16 12.975 6.568 -3.931 10 HB1 ALA 16 HB1 ALA 16 11.538 5.110 -5.248 11 HB2 ALA 16 HB2 ALA 16 12.823 4.889 -6.435 12 HB3 ALA 16 HB3 ALA 16 13.022 4.271 -4.795 13 H GLU 17 H GLU 17 14.985 6.283 -3.144 14 HA GLU 17 HA GLU 17 17.209 6.064 -5.041 15 HB2 GLU 17 HB2 GLU 17 17.038 8.372 -4.202 16 HB3 GLU 17 HB3 GLU 17 17.130 7.775 -2.548 17 HG2 GLU 17 HG2 GLU 17 19.260 8.687 -3.316 18 HG3 GLU 17 HG3 GLU 17 19.380 6.970 -2.934 19 H ASN 18 H ASN 18 18.460 4.385 -4.658 20 HA ASN 18 HA ASN 18 18.009 2.725 -2.356 21 HB2 ASN 18 HB2 ASN 18 18.353 1.368 -4.161 22 HB3 ASN 18 HB3 ASN 18 19.491 2.474 -4.928 23 HD21 ASN 18 HD21 ASN 18 20.929 0.864 -5.420 24 HD22 ASN 18 HD22 ASN 18 21.892 0.064 -4.232 25 H GLY 19 H GLY 19 19.073 2.670 -0.553 26 HA2 GLY 19 HA2 GLY 19 21.767 3.764 -0.292 27 HA3 GLY 19 HA3 GLY 19 20.824 2.960 0.973 28 H LYS 20 H LYS 20 18.490 4.665 0.235 29 HA LYS 20 HA LYS 20 19.249 7.118 1.655 30 HB2 LYS 20 HB2 LYS 20 19.220 7.184 -0.983 31 HB3 LYS 20 HB3 LYS 20 17.481 7.231 -0.757 32 HG2 LYS 20 HG2 LYS 20 18.314 9.445 -1.047 33 HG3 LYS 20 HG3 LYS 20 17.730 9.259 0.607 34 HD2 LYS 20 HD2 LYS 20 19.936 9.132 1.466 35 HD3 LYS 20 HD3 LYS 20 20.621 8.916 -0.145 36 HE2 LYS 20 HE2 LYS 20 19.222 11.415 0.809 37 HE3 LYS 20 HE3 LYS 20 20.972 11.193 0.768 38 HZ1 LYS 20 HZ1 LYS 20 20.798 10.823 -1.641 39 HZ2 LYS 20 HZ2 LYS 20 19.138 11.149 -1.576 40 HZ3 LYS 20 HZ3 LYS 20 20.256 12.367 -1.191 41 H SER 21 H SER 21 17.455 8.158 2.630 42 HA SER 21 HA SER 21 15.350 6.334 3.375 43 HB2 SER 21 HB2 SER 21 15.929 9.181 4.175 44 HB3 SER 21 HB3 SER 21 14.684 8.167 4.904 45 HG SER 21 HG SER 21 16.727 8.226 6.060 46 H ASN 22 H ASN 22 13.274 6.425 2.815 47 HA ASN 22 HA ASN 22 12.323 8.591 1.092 48 HB2 ASN 22 HB2 ASN 22 12.971 5.886 0.129 49 HB3 ASN 22 HB3 ASN 22 11.303 6.338 -0.218 50 HD21 ASN 22 HD21 ASN 22 10.910 8.098 -1.575 51 HD22 ASN 22 HD22 ASN 22 12.126 8.733 -2.630 52 H PHE 23 H PHE 23 9.885 7.953 0.439 53 HA PHE 23 HA PHE 23 8.592 6.904 2.859 54 HB2 PHE 23 HB2 PHE 23 7.865 9.343 1.226 55 HB3 PHE 23 HB3 PHE 23 6.739 8.563 2.327 56 HD1 PHE 23 HD1 PHE 23 10.182 10.016 2.314 57 HD2 PHE 23 HD2 PHE 23 6.578 9.331 4.460 58 HE1 PHE 23 HE1 PHE 23 11.037 11.380 4.179 59 HE2 PHE 23 HE2 PHE 23 7.419 10.689 6.328 60 HZ PHE 23 HZ PHE 23 9.657 11.703 6.194 61 H LEU 24 H LEU 24 7.262 5.269 2.446 62 HA LEU 24 HA LEU 24 6.703 4.515 -0.305 63 HB2 LEU 24 HB2 LEU 24 7.086 3.176 2.097 64 HB3 LEU 24 HB3 LEU 24 5.385 2.949 1.756 65 HG LEU 24 HG LEU 24 7.722 2.111 0.014 66 HD11 LEU 24 HD11 LEU 24 5.650 0.536 1.546 67 HD12 LEU 24 HD12 LEU 24 6.863 -0.154 0.468 68 HD13 LEU 24 HD13 LEU 24 7.363 0.677 1.943 69 HD21 LEU 24 HD21 LEU 24 4.760 1.978 -0.524 70 HD22 LEU 24 HD22 LEU 24 6.016 2.726 -1.518 71 HD23 LEU 24 HD23 LEU 24 5.946 0.969 -1.352 72 H ASN 25 H ASN 25 4.558 4.078 -1.052 73 HA ASN 25 HA ASN 25 2.374 5.065 0.604 74 HB2 ASN 25 HB2 ASN 25 2.882 7.024 -0.698 75 HB3 ASN 25 HB3 ASN 25 2.913 6.089 -2.195 76 HD21 ASN 25 HD21 ASN 25 0.967 7.611 0.210 77 HD22 ASN 25 HD22 ASN 25 -0.545 7.460 -0.612 78 H CYS 26 H CYS 26 0.748 3.717 0.588 79 HA CYS 26 HA CYS 26 0.404 1.898 -1.700 80 HB2 CYS 26 HB2 CYS 26 1.289 0.972 0.570 81 HB3 CYS 26 HB3 CYS 26 -0.389 1.163 1.098 82 H TYR 27 H TYR 27 -1.513 2.169 -2.685 83 HA TYR 27 HA TYR 27 -3.609 3.620 -1.185 84 HB2 TYR 27 HB2 TYR 27 -2.242 4.485 -3.474 85 HB3 TYR 27 HB3 TYR 27 -3.785 3.896 -4.077 86 HD1 TYR 27 HD1 TYR 27 -5.679 5.309 -4.013 87 HD2 TYR 27 HD2 TYR 27 -2.323 6.184 -1.545 88 HE1 TYR 27 HE1 TYR 27 -6.668 7.483 -3.448 89 HE2 TYR 27 HE2 TYR 27 -3.311 8.362 -0.967 90 HH TYR 27 HH TYR 27 -4.952 9.974 -2.028 91 H VAL 28 H VAL 28 -4.950 1.986 -0.671 92 HA VAL 28 HA VAL 28 -5.830 0.272 -2.891 93 HB VAL 28 HB VAL 28 -6.619 -0.311 -0.073 94 HG11 VAL 28 HG11 VAL 28 -5.992 -1.987 -2.491 95 HG12 VAL 28 HG12 VAL 28 -6.475 -2.628 -0.920 96 HG13 VAL 28 HG13 VAL 28 -7.592 -1.622 -1.842 97 HG21 VAL 28 HG21 VAL 28 -3.911 -0.950 -1.239 98 HG22 VAL 28 HG22 VAL 28 -4.247 0.046 0.180 99 HG23 VAL 28 HG23 VAL 28 -4.579 -1.687 0.220 100 H SER 29 H SER 29 -7.595 1.020 -3.854 101 HA SER 29 HA SER 29 -9.858 1.821 -2.236 102 HB2 SER 29 HB2 SER 29 -8.605 3.673 -4.272 103 HB3 SER 29 HB3 SER 29 -10.199 3.907 -3.554 104 HG SER 29 HG SER 29 -8.393 3.457 -1.623 105 H GLY 30 H GLY 30 -11.829 2.130 -3.596 106 HA2 GLY 30 HA2 GLY 30 -11.793 0.448 -5.998 107 HA3 GLY 30 HA3 GLY 30 -13.163 1.402 -5.414 108 H PHE 31 H PHE 31 -14.628 0.327 -3.920 109 HA PHE 31 HA PHE 31 -14.607 -2.124 -3.150 110 HB2 PHE 31 HB2 PHE 31 -13.381 -2.545 -1.140 111 HB3 PHE 31 HB3 PHE 31 -12.264 -1.998 -2.386 112 HD1 PHE 31 HD1 PHE 31 -14.076 -0.881 0.682 113 HD2 PHE 31 HD2 PHE 31 -10.825 -0.241 -1.993 114 HE1 PHE 31 HE1 PHE 31 -13.043 0.640 2.307 115 HE2 PHE 31 HE2 PHE 31 -9.807 1.295 -0.376 116 HZ PHE 31 HZ PHE 31 -10.895 1.716 1.784 117 H HIS 32 H HIS 32 -15.436 -2.551 -0.791 118 HA HIS 32 HA HIS 32 -16.531 -0.336 0.602 119 HB2 HIS 32 HB2 HIS 32 -18.266 -0.475 -1.230 120 HB3 HIS 32 HB3 HIS 32 -18.582 -2.149 -0.767 121 HD2 HIS 32 HD2 HIS 32 -19.134 1.472 0.607 122 HE1 HIS 32 HE1 HIS 32 -21.712 -1.227 2.597 123 HE2 HIS 32 HE2 HIS 32 -20.940 1.186 2.452 No H/Q in entry = 123 In of MODEL 1 1 HA PRO 33 HA PRO 33 -18.232 -0.349 2.531 2 HB2 PRO 33 HB2 PRO 33 -17.953 -0.362 5.168 3 HB3 PRO 33 HB3 PRO 33 -19.062 -1.478 4.361 4 HG2 PRO 33 HG2 PRO 33 -16.307 -1.981 5.418 5 HG3 PRO 33 HG3 PRO 33 -17.763 -2.979 5.578 6 HD2 PRO 33 HD2 PRO 33 -15.790 -3.414 3.721 7 HD3 PRO 33 HD3 PRO 33 -17.476 -3.931 3.517 8 H SER 34 H SER 34 -17.407 1.177 4.687 9 HA SER 34 HA SER 34 -15.318 2.768 3.823 10 HB2 SER 34 HB2 SER 34 -15.215 3.674 6.142 11 HB3 SER 34 HB3 SER 34 -16.879 3.484 5.573 12 HG SER 34 HG SER 34 -15.491 1.614 7.217 13 H ASP 35 H ASP 35 -14.853 -0.370 4.921 14 HA ASP 35 HA ASP 35 -12.183 0.289 5.984 15 HB2 ASP 35 HB2 ASP 35 -14.148 -1.795 6.938 16 HB3 ASP 35 HB3 ASP 35 -12.443 -1.827 7.376 17 H ILE 36 H ILE 36 -10.527 -0.622 5.080 18 HA ILE 36 HA ILE 36 -10.709 -3.379 4.144 19 HB ILE 36 HB ILE 36 -10.678 -1.797 2.099 20 HG12 ILE 36 HG12 ILE 36 -8.772 -4.008 2.698 21 HG13 ILE 36 HG13 ILE 36 -10.159 -4.014 1.625 22 HG21 ILE 36 HG21 ILE 36 -7.864 -1.378 3.104 23 HG22 ILE 36 HG22 ILE 36 -8.440 -0.923 1.498 24 HG23 ILE 36 HG23 ILE 36 -9.109 -0.140 2.928 25 HD11 ILE 36 HD11 ILE 36 -7.516 -2.678 1.079 26 HD12 ILE 36 HD12 ILE 36 -8.051 -4.224 0.417 27 HD13 ILE 36 HD13 ILE 36 -8.896 -2.741 -0.016 28 H GLU 37 H GLU 37 -8.560 -4.449 4.362 29 HA GLU 37 HA GLU 37 -6.860 -2.948 6.223 30 HB2 GLU 37 HB2 GLU 37 -8.223 -4.939 7.132 31 HB3 GLU 37 HB3 GLU 37 -7.130 -5.938 6.185 32 HG2 GLU 37 HG2 GLU 37 -6.463 -5.751 8.555 33 HG3 GLU 37 HG3 GLU 37 -5.229 -5.148 7.445 34 H VAL 38 H VAL 38 -4.890 -2.622 5.523 35 HA VAL 38 HA VAL 38 -3.733 -4.491 3.610 36 HB VAL 38 HB VAL 38 -4.002 -3.091 1.902 37 HG11 VAL 38 HG11 VAL 38 -4.604 -0.893 3.857 38 HG12 VAL 38 HG12 VAL 38 -4.819 -0.797 2.108 39 HG13 VAL 38 HG13 VAL 38 -5.765 -1.947 3.054 40 HG21 VAL 38 HG21 VAL 38 -2.066 -1.288 3.369 41 HG22 VAL 38 HG22 VAL 38 -1.644 -2.600 2.268 42 HG23 VAL 38 HG23 VAL 38 -2.472 -1.167 1.653 43 H ASP 39 H ASP 39 -1.658 -4.787 3.758 44 HA ASP 39 HA ASP 39 -0.162 -3.352 5.858 45 HB2 ASP 39 HB2 ASP 39 -0.675 -5.326 6.992 46 HB3 ASP 39 HB3 ASP 39 -0.508 -6.323 5.558 47 H LEU 40 H LEU 40 2.128 -3.355 5.634 48 HA LEU 40 HA LEU 40 2.933 -3.621 2.825 49 HB2 LEU 40 HB2 LEU 40 4.366 -2.060 4.961 50 HB3 LEU 40 HB3 LEU 40 4.617 -1.989 3.226 51 HG LEU 40 HG LEU 40 2.214 -0.965 4.732 52 HD11 LEU 40 HD11 LEU 40 4.451 0.433 3.277 53 HD12 LEU 40 HD12 LEU 40 3.015 1.224 3.927 54 HD13 LEU 40 HD13 LEU 40 4.156 0.434 5.018 55 HD21 LEU 40 HD21 LEU 40 2.804 -0.978 1.781 56 HD22 LEU 40 HD22 LEU 40 1.462 -1.776 2.604 57 HD23 LEU 40 HD23 LEU 40 1.540 -0.012 2.549 58 H LEU 41 H LEU 41 4.669 -4.816 2.289 59 HA LEU 41 HA LEU 41 5.708 -6.576 4.395 60 HB2 LEU 41 HB2 LEU 41 5.663 -7.277 1.499 61 HB3 LEU 41 HB3 LEU 41 5.794 -8.336 2.873 62 HG LEU 41 HG LEU 41 3.288 -6.851 2.088 63 HD11 LEU 41 HD11 LEU 41 4.069 -8.613 0.494 64 HD12 LEU 41 HD12 LEU 41 3.935 -9.782 1.806 65 HD13 LEU 41 HD13 LEU 41 2.495 -8.947 1.215 66 HD21 LEU 41 HD21 LEU 41 3.792 -8.999 4.153 67 HD22 LEU 41 HD22 LEU 41 3.426 -7.305 4.486 68 HD23 LEU 41 HD23 LEU 41 2.215 -8.336 3.721 69 H LYS 42 H LYS 42 7.592 -7.811 3.414 70 HA LYS 42 HA LYS 42 9.551 -6.226 2.023 71 HB2 LYS 42 HB2 LYS 42 10.215 -7.300 4.758 72 HB3 LYS 42 HB3 LYS 42 11.280 -6.393 3.698 73 HG2 LYS 42 HG2 LYS 42 9.723 -4.425 3.877 74 HG3 LYS 42 HG3 LYS 42 8.769 -5.359 5.006 75 HD2 LYS 42 HD2 LYS 42 11.721 -4.853 5.536 76 HD3 LYS 42 HD3 LYS 42 10.444 -3.736 6.060 77 HE2 LYS 42 HE2 LYS 42 9.371 -5.620 7.270 78 HE3 LYS 42 HE3 LYS 42 10.738 -6.639 6.824 79 HZ1 LYS 42 HZ1 LYS 42 12.193 -5.074 8.017 80 HZ2 LYS 42 HZ2 LYS 42 10.833 -4.193 8.504 81 HZ3 LYS 42 HZ3 LYS 42 11.043 -5.788 9.038 82 H ASN 43 H ASN 43 9.745 -7.689 0.504 83 HA ASN 43 HA ASN 43 10.300 -9.581 -0.615 84 HB2 ASN 43 HB2 ASN 43 11.590 -10.401 1.999 85 HB3 ASN 43 HB3 ASN 43 11.853 -11.211 0.457 86 HD21 ASN 43 HD21 ASN 43 12.494 -8.405 2.373 87 HD22 ASN 43 HD22 ASN 43 13.725 -7.726 1.374 88 H GLY 44 H GLY 44 8.435 -9.753 2.206 89 HA2 GLY 44 HA2 GLY 44 7.580 -12.494 1.865 90 HA3 GLY 44 HA3 GLY 44 6.413 -11.290 1.329 91 H GLU 45 H GLU 45 8.207 -10.030 3.811 92 HA GLU 45 HA GLU 45 6.521 -11.202 5.896 93 HB2 GLU 45 HB2 GLU 45 9.240 -9.942 6.054 94 HB3 GLU 45 HB3 GLU 45 8.407 -10.790 7.359 95 HG2 GLU 45 HG2 GLU 45 9.220 -11.982 4.727 96 HG3 GLU 45 HG3 GLU 45 10.090 -12.160 6.229 97 H ARG 46 H ARG 46 5.754 -9.874 7.587 98 HA ARG 46 HA ARG 46 4.663 -7.460 6.598 99 HB2 ARG 46 HB2 ARG 46 3.541 -9.071 8.182 100 HB3 ARG 46 HB3 ARG 46 4.612 -8.470 9.447 101 HG2 ARG 46 HG2 ARG 46 3.638 -6.271 9.282 102 HG3 ARG 46 HG3 ARG 46 2.704 -6.751 7.879 103 HD2 ARG 46 HD2 ARG 46 1.267 -8.120 9.164 104 HD3 ARG 46 HD3 ARG 46 2.354 -8.063 10.564 105 HE ARG 46 HE ARG 46 1.436 -5.476 9.754 106 HH11 ARG 46 HH11 ARG 46 0.475 -8.337 11.532 107 HH12 ARG 46 HH12 ARG 46 -0.535 -7.458 12.645 108 HH21 ARG 46 HH21 ARG 46 0.112 -4.330 11.169 109 HH22 ARG 46 HH22 ARG 46 -0.732 -5.160 12.442 110 H ILE 47 H ILE 47 5.025 -5.346 7.083 111 HA ILE 47 HA ILE 47 7.432 -4.638 8.598 112 HB ILE 47 HB ILE 47 5.581 -2.876 6.972 113 HG12 ILE 47 HG12 ILE 47 8.343 -3.850 6.271 114 HG13 ILE 47 HG13 ILE 47 6.862 -4.530 5.598 115 HG21 ILE 47 HG21 ILE 47 6.741 -1.673 8.757 116 HG22 ILE 47 HG22 ILE 47 8.287 -2.285 8.172 117 HG23 ILE 47 HG23 ILE 47 7.336 -1.185 7.170 118 HD11 ILE 47 HD11 ILE 47 7.782 -1.676 5.296 119 HD12 ILE 47 HD12 ILE 47 7.892 -2.930 4.061 120 HD13 ILE 47 HD13 ILE 47 6.318 -2.371 4.610 121 H GLU 48 H GLU 48 7.318 -3.490 10.531 122 HA GLU 48 HA GLU 48 4.643 -3.329 11.660 123 HB2 GLU 48 HB2 GLU 48 5.968 -2.982 13.827 124 HB3 GLU 48 HB3 GLU 48 5.981 -4.575 13.089 125 HG2 GLU 48 HG2 GLU 48 8.158 -2.562 12.720 126 HG3 GLU 48 HG3 GLU 48 8.161 -3.753 14.006 127 H LYS 49 H LYS 49 7.462 -1.203 11.099 128 HA LYS 49 HA LYS 49 6.466 1.069 12.329 129 HB2 LYS 49 HB2 LYS 49 8.302 0.746 9.972 130 HB3 LYS 49 HB3 LYS 49 8.042 2.264 10.827 131 HG2 LYS 49 HG2 LYS 49 8.722 0.000 12.537 132 HG3 LYS 49 HG3 LYS 49 9.981 0.484 11.399 133 HD2 LYS 49 HD2 LYS 49 9.972 2.711 12.267 134 HD3 LYS 49 HD3 LYS 49 8.509 2.397 13.196 135 HE2 LYS 49 HE2 LYS 49 9.806 0.747 14.551 136 HE3 LYS 49 HE3 LYS 49 11.264 1.261 13.700 137 HZ1 LYS 49 HZ1 LYS 49 10.870 3.522 14.518 138 HZ2 LYS 49 HZ2 LYS 49 9.526 2.979 15.390 139 HZ3 LYS 49 HZ3 LYS 49 11.071 2.415 15.787 140 H VAL 50 H VAL 50 4.976 -0.450 9.811 141 HA VAL 50 HA VAL 50 4.196 1.652 8.129 142 HB VAL 50 HB VAL 50 2.544 -0.756 8.906 143 HG11 VAL 50 HG11 VAL 50 1.279 1.069 7.828 144 HG12 VAL 50 HG12 VAL 50 2.394 1.003 6.458 145 HG13 VAL 50 HG13 VAL 50 1.365 -0.382 6.823 146 HG21 VAL 50 HG21 VAL 50 4.728 -1.405 8.045 147 HG22 VAL 50 HG22 VAL 50 3.454 -1.793 6.893 148 HG23 VAL 50 HG23 VAL 50 4.480 -0.385 6.626 149 H GLU 51 H GLU 51 2.755 3.258 8.327 150 HA GLU 51 HA GLU 51 0.907 3.184 10.593 151 HB2 GLU 51 HB2 GLU 51 2.486 5.629 9.763 152 HB3 GLU 51 HB3 GLU 51 1.276 5.552 11.043 153 HG2 GLU 51 HG2 GLU 51 2.694 3.978 12.269 154 HG3 GLU 51 HG3 GLU 51 3.919 4.118 11.009 155 H HIS 52 H HIS 52 -1.036 4.027 10.214 156 HA HIS 52 HA HIS 52 -1.609 4.919 7.473 157 HB2 HIS 52 HB2 HIS 52 -4.011 4.318 8.040 158 HB3 HIS 52 HB3 HIS 52 -2.894 2.978 7.857 159 HD2 HIS 52 HD2 HIS 52 -1.996 1.941 10.476 160 HE1 HIS 52 HE1 HIS 52 -5.604 3.193 12.287 161 HE2 HIS 52 HE2 HIS 52 -3.647 1.586 12.436 162 H SER 53 H SER 53 -2.306 6.903 7.136 163 HA SER 53 HA SER 53 -2.500 8.717 9.372 164 HB2 SER 53 HB2 SER 53 -2.909 10.404 7.443 165 HB3 SER 53 HB3 SER 53 -1.345 9.580 7.450 166 HG SER 53 HG SER 53 -3.256 9.562 5.568 167 H ASP 54 H ASP 54 -4.327 10.493 9.001 168 HA ASP 54 HA ASP 54 -6.719 9.417 9.865 169 HB2 ASP 54 HB2 ASP 54 -6.096 11.775 10.130 170 HB3 ASP 54 HB3 ASP 54 -6.277 12.024 8.398 171 H LEU 55 H LEU 55 -8.317 8.415 8.957 172 HA LEU 55 HA LEU 55 -8.257 6.946 6.775 173 HB2 LEU 55 HB2 LEU 55 -10.122 7.197 8.551 174 HB3 LEU 55 HB3 LEU 55 -10.884 8.259 7.391 175 HG LEU 55 HG LEU 55 -11.643 5.808 7.491 176 HD11 LEU 55 HD11 LEU 55 -12.276 7.366 5.696 177 HD12 LEU 55 HD12 LEU 55 -10.832 6.889 4.802 178 HD13 LEU 55 HD13 LEU 55 -12.098 5.705 5.133 179 HD21 LEU 55 HD21 LEU 55 -9.411 4.818 7.528 180 HD22 LEU 55 HD22 LEU 55 -10.366 4.235 6.163 181 HD23 LEU 55 HD23 LEU 55 -9.110 5.445 5.907 182 H SER 56 H SER 56 -10.777 9.287 6.169 183 HA SER 56 HA SER 56 -9.665 10.950 4.282 184 HB2 SER 56 HB2 SER 56 -9.100 8.836 3.052 185 HB3 SER 56 HB3 SER 56 -10.821 8.476 2.958 186 HG SER 56 HG SER 56 -9.594 10.815 1.894 187 H PHE 57 H PHE 57 -11.388 11.739 2.694 188 HA PHE 57 HA PHE 57 -14.112 10.960 3.349 189 HB2 PHE 57 HB2 PHE 57 -13.754 12.900 4.811 190 HB3 PHE 57 HB3 PHE 57 -13.222 13.860 3.434 191 HD1 PHE 57 HD1 PHE 57 -14.757 15.083 2.190 192 HD2 PHE 57 HD2 PHE 57 -16.146 11.970 4.740 193 HE1 PHE 57 HE1 PHE 57 -17.078 15.764 1.749 194 HE2 PHE 57 HE2 PHE 57 -18.472 12.648 4.304 195 HZ PHE 57 HZ PHE 57 -18.939 14.545 2.805 196 H SER 58 H SER 58 -14.832 10.316 1.445 197 HA SER 58 HA SER 58 -14.079 11.859 -0.936 198 HB2 SER 58 HB2 SER 58 -14.817 9.800 -2.181 199 HB3 SER 58 HB3 SER 58 -13.432 9.544 -1.123 200 HG SER 58 HG SER 58 -15.642 8.183 -1.142 201 H LYS 59 H LYS 59 -15.575 12.996 -1.971 202 HA LYS 59 HA LYS 59 -18.159 13.314 -0.862 203 HB2 LYS 59 HB2 LYS 59 -18.543 14.962 -2.511 204 HB3 LYS 59 HB3 LYS 59 -16.827 15.060 -2.146 205 HG2 LYS 59 HG2 LYS 59 -16.322 13.785 -4.165 206 HG3 LYS 59 HG3 LYS 59 -18.047 13.680 -4.530 207 HD2 LYS 59 HD2 LYS 59 -18.050 16.229 -4.489 208 HD3 LYS 59 HD3 LYS 59 -16.290 16.127 -4.507 209 HE2 LYS 59 HE2 LYS 59 -17.008 16.428 -6.759 210 HE3 LYS 59 HE3 LYS 59 -16.477 14.755 -6.606 211 HZ1 LYS 59 HZ1 LYS 59 -19.021 14.393 -6.103 212 HZ2 LYS 59 HZ2 LYS 59 -19.180 15.832 -6.980 213 HZ3 LYS 59 HZ3 LYS 59 -18.453 14.478 -7.699 214 H ASP 60 H ASP 60 -16.992 11.549 -3.722 215 HA ASP 60 HA ASP 60 -19.651 10.319 -3.932 216 HB2 ASP 60 HB2 ASP 60 -19.400 12.126 -5.624 217 HB3 ASP 60 HB3 ASP 60 -17.997 11.284 -6.271 218 H TRP 61 H TRP 61 -16.241 10.186 -4.864 219 HA TRP 61 HA TRP 61 -16.458 7.573 -5.996 220 HB2 TRP 61 HB2 TRP 61 -13.911 9.002 -5.214 221 HB3 TRP 61 HB3 TRP 61 -14.100 7.719 -6.405 222 HD1 TRP 61 HD1 TRP 61 -13.603 11.277 -6.294 223 HE1 TRP 61 HE1 TRP 61 -14.391 12.443 -8.450 224 HE3 TRP 61 HE3 TRP 61 -16.428 7.500 -8.257 225 HZ2 TRP 61 HZ2 TRP 61 -15.997 11.844 -10.672 226 HZ3 TRP 61 HZ3 TRP 61 -17.566 7.865 -10.402 227 HH2 TRP 61 HH2 TRP 61 -17.350 10.024 -11.600 228 H SER 62 H SER 62 -14.514 6.027 -5.234 229 HA SER 62 HA SER 62 -15.359 4.811 -2.887 230 HB2 SER 62 HB2 SER 62 -12.669 4.651 -4.283 231 HB3 SER 62 HB3 SER 62 -13.218 3.513 -3.044 232 HG SER 62 HG SER 62 -14.584 4.035 -5.487 233 H PHE 63 H PHE 63 -14.721 4.869 -0.796 234 HA PHE 63 HA PHE 63 -13.379 7.179 0.205 235 HB2 PHE 63 HB2 PHE 63 -13.749 4.693 1.848 236 HB3 PHE 63 HB3 PHE 63 -13.928 6.376 2.328 237 HD1 PHE 63 HD1 PHE 63 -16.035 7.523 2.082 238 HD2 PHE 63 HD2 PHE 63 -15.537 3.537 0.642 239 HE1 PHE 63 HE1 PHE 63 -18.484 7.297 1.850 240 HE2 PHE 63 HE2 PHE 63 -17.978 3.314 0.404 241 HZ PHE 63 HZ PHE 63 -19.448 5.196 1.008 242 H TYR 64 H TYR 64 -11.247 7.423 0.663 243 HA TYR 64 HA TYR 64 -9.556 5.233 -0.250 244 HB2 TYR 64 HB2 TYR 64 -8.509 7.972 0.403 245 HB3 TYR 64 HB3 TYR 64 -7.924 6.811 -0.790 246 HD1 TYR 64 HD1 TYR 64 -8.934 6.679 -3.005 247 HD2 TYR 64 HD2 TYR 64 -10.377 9.448 -0.114 248 HE1 TYR 64 HE1 TYR 64 -10.166 7.881 -4.771 249 HE2 TYR 64 HE2 TYR 64 -11.608 10.650 -1.867 250 HH TYR 64 HH TYR 64 -12.053 9.363 -5.010 251 H LEU 65 H LEU 65 -7.932 4.356 0.961 252 HA LEU 65 HA LEU 65 -7.479 5.422 3.651 253 HB2 LEU 65 HB2 LEU 65 -8.924 3.683 4.177 254 HB3 LEU 65 HB3 LEU 65 -8.304 2.630 2.929 255 HG LEU 65 HG LEU 65 -6.439 3.284 5.147 256 HD11 LEU 65 HD11 LEU 65 -8.733 2.949 6.160 257 HD12 LEU 65 HD12 LEU 65 -8.666 1.307 5.528 258 HD13 LEU 65 HD13 LEU 65 -7.472 1.848 6.705 259 HD21 LEU 65 HD21 LEU 65 -5.854 1.783 3.285 260 HD22 LEU 65 HD22 LEU 65 -5.850 0.951 4.841 261 HD23 LEU 65 HD23 LEU 65 -7.200 0.734 3.728 262 H LEU 66 H LEU 66 -5.382 5.508 4.278 263 HA LEU 66 HA LEU 66 -3.481 4.775 2.155 264 HB2 LEU 66 HB2 LEU 66 -4.055 7.251 3.033 265 HB3 LEU 66 HB3 LEU 66 -2.807 6.832 4.180 266 HG LEU 66 HG LEU 66 -2.467 6.875 1.187 267 HD11 LEU 66 HD11 LEU 66 -1.602 8.821 3.326 268 HD12 LEU 66 HD12 LEU 66 -1.007 8.850 1.671 269 HD13 LEU 66 HD13 LEU 66 -2.717 9.124 1.999 270 HD21 LEU 66 HD21 LEU 66 -0.437 6.420 3.362 271 HD22 LEU 66 HD22 LEU 66 -0.990 5.242 2.175 272 HD23 LEU 66 HD23 LEU 66 -0.063 6.652 1.651 273 H TYR 67 H TYR 67 -1.849 3.458 2.626 274 HA TYR 67 HA TYR 67 -0.984 3.220 5.435 275 HB2 TYR 67 HB2 TYR 67 -1.670 1.064 3.515 276 HB3 TYR 67 HB3 TYR 67 -0.277 0.806 4.557 277 HD1 TYR 67 HD1 TYR 67 -3.897 0.894 4.372 278 HD2 TYR 67 HD2 TYR 67 -0.568 0.792 7.032 279 HE1 TYR 67 HE1 TYR 67 -5.346 0.089 6.156 280 HE2 TYR 67 HE2 TYR 67 -2.041 0.010 8.844 281 HH TYR 67 HH TYR 67 -5.047 -1.245 8.350 282 H TYR 68 H TYR 68 1.011 3.941 5.685 283 HA TYR 68 HA TYR 68 2.922 3.523 3.491 284 HB2 TYR 68 HB2 TYR 68 3.737 5.829 3.653 285 HB3 TYR 68 HB3 TYR 68 2.025 5.804 3.237 286 HD1 TYR 68 HD1 TYR 68 4.496 6.699 5.782 287 HD2 TYR 68 HD2 TYR 68 0.351 6.593 4.831 288 HE1 TYR 68 HE1 TYR 68 4.038 8.256 7.627 289 HE2 TYR 68 HE2 TYR 68 -0.121 8.157 6.673 290 HH TYR 68 HH TYR 68 2.358 9.846 8.322 291 H THR 69 H THR 69 5.185 3.958 4.124 292 HA THR 69 HA THR 69 5.774 3.981 6.967 293 HB THR 69 HB THR 69 5.424 1.563 6.472 294 HG1 THR 69 HG1 THR 69 8.172 2.138 6.961 295 HG21 THR 69 HG21 THR 69 7.718 1.977 4.556 296 HG22 THR 69 HG22 THR 69 7.177 0.397 5.120 297 HG23 THR 69 HG23 THR 69 6.090 1.414 4.171 298 H GLU 70 H GLU 70 7.881 4.582 7.422 299 HA GLU 70 HA GLU 70 9.371 5.807 5.243 300 HB2 GLU 70 HB2 GLU 70 9.016 6.933 7.474 301 HB3 GLU 70 HB3 GLU 70 10.006 5.682 8.210 302 HG2 GLU 70 HG2 GLU 70 11.875 6.417 6.718 303 HG3 GLU 70 HG3 GLU 70 10.859 7.770 6.232 304 H PHE 71 H PHE 71 11.208 4.927 4.368 305 HA PHE 71 HA PHE 71 12.394 2.601 5.620 306 HB2 PHE 71 HB2 PHE 71 12.071 1.090 3.750 307 HB3 PHE 71 HB3 PHE 71 10.509 1.634 4.343 308 HD1 PHE 71 HD1 PHE 71 10.817 4.411 2.875 309 HD2 PHE 71 HD2 PHE 71 11.147 0.352 1.678 310 HE1 PHE 71 HE1 PHE 71 10.179 5.041 0.585 311 HE2 PHE 71 HE2 PHE 71 10.495 0.956 -0.612 312 HZ PHE 71 HZ PHE 71 10.027 3.315 -1.178 313 H THR 72 H THR 72 14.382 1.911 4.537 314 HA THR 72 HA THR 72 15.519 3.980 2.781 315 HB THR 72 HB THR 72 17.018 2.134 4.649 316 HG1 THR 72 HG1 THR 72 15.801 4.601 5.029 317 HG21 THR 72 HG21 THR 72 17.936 4.559 3.086 318 HG22 THR 72 HG22 THR 72 18.918 3.631 4.220 319 HG23 THR 72 HG23 THR 72 18.352 2.880 2.729 No H/Q in entry = 319 In of MODEL 1 1 HA PRO 73 HA PRO 73 14.891 0.250 0.083 2 HB2 PRO 73 HB2 PRO 73 15.557 1.858 -2.149 3 HB3 PRO 73 HB3 PRO 73 13.925 1.440 -1.603 4 HG2 PRO 73 HG2 PRO 73 15.531 3.896 -1.101 5 HG3 PRO 73 HG3 PRO 73 13.780 3.736 -1.345 6 HD2 PRO 73 HD2 PRO 73 14.785 4.158 1.087 7 HD3 PRO 73 HD3 PRO 73 13.421 3.036 0.855 8 H THR 74 H THR 74 16.288 -1.065 -0.863 9 HA THR 74 HA THR 74 19.018 -0.181 -1.366 10 HB THR 74 HB THR 74 19.948 -2.202 -0.338 11 HG1 THR 74 HG1 THR 74 18.121 -3.122 1.241 12 HG21 THR 74 HG21 THR 74 19.786 -0.185 1.051 13 HG22 THR 74 HG22 THR 74 18.184 -0.690 1.585 14 HG23 THR 74 HG23 THR 74 19.598 -1.649 2.021 15 H GLU 75 H GLU 75 20.192 -1.852 -2.671 16 HA GLU 75 HA GLU 75 18.641 -2.678 -4.891 17 HB2 GLU 75 HB2 GLU 75 21.257 -2.217 -4.497 18 HB3 GLU 75 HB3 GLU 75 21.275 -3.961 -4.380 19 HG2 GLU 75 HG2 GLU 75 21.748 -3.480 -6.598 20 HG3 GLU 75 HG3 GLU 75 20.056 -3.928 -6.573 21 H LYS 76 H LYS 76 19.919 -4.307 -2.095 22 HA LYS 76 HA LYS 76 19.368 -6.937 -3.027 23 HB2 LYS 76 HB2 LYS 76 20.269 -5.858 -0.363 24 HB3 LYS 76 HB3 LYS 76 20.164 -7.567 -0.752 25 HG2 LYS 76 HG2 LYS 76 22.083 -7.543 -1.918 26 HG3 LYS 76 HG3 LYS 76 21.718 -5.987 -2.670 27 HD2 LYS 76 HD2 LYS 76 22.398 -4.814 -0.688 28 HD3 LYS 76 HD3 LYS 76 22.628 -6.332 0.184 29 HE2 LYS 76 HE2 LYS 76 24.396 -6.934 -1.460 30 HE3 LYS 76 HE3 LYS 76 24.213 -5.337 -2.187 31 HZ1 LYS 76 HZ1 LYS 76 24.816 -4.355 -0.041 32 HZ2 LYS 76 HZ2 LYS 76 25.032 -5.900 0.617 33 HZ3 LYS 76 HZ3 LYS 76 26.047 -5.361 -0.627 34 H ASP 77 H ASP 77 17.654 -4.669 -0.897 35 HA ASP 77 HA ASP 77 15.939 -6.897 -0.005 36 HB2 ASP 77 HB2 ASP 77 16.894 -4.903 1.510 37 HB3 ASP 77 HB3 ASP 77 15.384 -4.153 0.988 38 H GLU 78 H GLU 78 13.490 -5.916 0.385 39 HA GLU 78 HA GLU 78 12.505 -4.569 -1.941 40 HB2 GLU 78 HB2 GLU 78 12.997 -6.693 -3.017 41 HB3 GLU 78 HB3 GLU 78 12.258 -7.585 -1.708 42 HG2 GLU 78 HG2 GLU 78 10.454 -5.769 -3.237 43 HG3 GLU 78 HG3 GLU 78 11.084 -7.187 -4.064 44 H TYR 79 H TYR 79 10.334 -3.997 -1.637 45 HA TYR 79 HA TYR 79 9.082 -4.997 0.800 46 HB2 TYR 79 HB2 TYR 79 8.681 -2.120 -0.025 47 HB3 TYR 79 HB3 TYR 79 8.383 -2.885 1.539 48 HD1 TYR 79 HD1 TYR 79 9.819 -2.400 3.257 49 HD2 TYR 79 HD2 TYR 79 11.285 -2.167 -0.732 50 HE1 TYR 79 HE1 TYR 79 11.979 -1.569 4.102 51 HE2 TYR 79 HE2 TYR 79 13.447 -1.354 0.106 52 HH TYR 79 HH TYR 79 14.463 -1.659 3.162 53 H ALA 80 H ALA 80 6.783 -4.900 0.832 54 HA ALA 80 HA ALA 80 5.575 -4.833 -1.862 55 HB1 ALA 80 HB1 ALA 80 6.422 -7.157 -1.176 56 HB2 ALA 80 HB2 ALA 80 4.773 -7.012 -1.794 57 HB3 ALA 80 HB3 ALA 80 5.052 -7.160 -0.065 58 H CYS 81 H CYS 81 3.144 -5.003 -1.813 59 HA CYS 81 HA CYS 81 2.025 -3.994 0.725 60 HB2 CYS 81 HB2 CYS 81 1.548 -3.326 -2.134 61 HB3 CYS 81 HB3 CYS 81 0.154 -3.308 -1.066 62 H ARG 82 H ARG 82 0.440 -5.219 1.623 63 HA ARG 82 HA ARG 82 -0.819 -7.341 -0.029 64 HB2 ARG 82 HB2 ARG 82 0.676 -7.895 2.062 65 HB3 ARG 82 HB3 ARG 82 -0.754 -7.380 2.950 66 HG2 ARG 82 HG2 ARG 82 -2.093 -9.066 1.752 67 HG3 ARG 82 HG3 ARG 82 -0.601 -9.636 0.978 68 HD2 ARG 82 HD2 ARG 82 -1.059 -9.533 3.958 69 HD3 ARG 82 HD3 ARG 82 -1.214 -10.977 2.973 70 HE ARG 82 HE ARG 82 1.339 -9.752 2.669 71 HH11 ARG 82 HH11 ARG 82 -0.561 -11.817 4.765 72 HH12 ARG 82 HH12 ARG 82 0.830 -12.624 5.429 73 HH21 ARG 82 HH21 ARG 82 3.168 -10.813 3.549 74 HH22 ARG 82 HH22 ARG 82 2.954 -12.040 4.758 75 H VAL 83 H VAL 83 -3.046 -7.196 -0.208 76 HA VAL 83 HA VAL 83 -4.418 -5.669 1.905 77 HB VAL 83 HB VAL 83 -5.822 -4.514 0.513 78 HG11 VAL 83 HG11 VAL 83 -3.584 -3.685 0.298 79 HG12 VAL 83 HG12 VAL 83 -3.298 -4.759 -1.073 80 HG13 VAL 83 HG13 VAL 83 -4.482 -3.456 -1.206 81 HG21 VAL 83 HG21 VAL 83 -5.161 -6.399 -1.740 82 HG22 VAL 83 HG22 VAL 83 -6.663 -6.358 -0.810 83 HG23 VAL 83 HG23 VAL 83 -6.230 -5.000 -1.849 84 H ASN 84 H ASN 84 -6.210 -6.481 2.679 85 HA ASN 84 HA ASN 84 -7.087 -9.075 1.642 86 HB2 ASN 84 HB2 ASN 84 -7.357 -8.043 4.485 87 HB3 ASN 84 HB3 ASN 84 -7.770 -9.652 3.916 88 HD21 ASN 84 HD21 ASN 84 -5.101 -7.446 4.501 89 HD22 ASN 84 HD22 ASN 84 -3.893 -8.670 4.684 90 H HIS 85 H HIS 85 -9.087 -9.080 0.759 91 HA HIS 85 HA HIS 85 -11.207 -7.641 2.111 92 HB2 HIS 85 HB2 HIS 85 -10.170 -6.182 0.237 93 HB3 HIS 85 HB3 HIS 85 -10.885 -7.345 -0.874 94 HD2 HIS 85 HD2 HIS 85 -12.098 -4.708 1.801 95 HE1 HIS 85 HE1 HIS 85 -15.222 -5.596 -0.919 96 HE2 HIS 85 HE2 HIS 85 -14.582 -4.294 1.155 97 H VAL 86 H VAL 86 -13.324 -8.438 1.381 98 HA VAL 86 HA VAL 86 -13.308 -11.250 1.230 99 HB VAL 86 HB VAL 86 -15.742 -11.114 1.065 100 HG11 VAL 86 HG11 VAL 86 -14.693 -10.865 3.248 101 HG12 VAL 86 HG12 VAL 86 -14.603 -9.119 3.014 102 HG13 VAL 86 HG13 VAL 86 -16.172 -9.909 3.140 103 HG21 VAL 86 HG21 VAL 86 -15.875 -9.209 -0.489 104 HG22 VAL 86 HG22 VAL 86 -16.906 -8.990 0.926 105 HG23 VAL 86 HG23 VAL 86 -15.373 -8.129 0.810 106 H THR 87 H THR 87 -13.272 -8.837 -1.217 107 HA THR 87 HA THR 87 -14.538 -10.367 -3.252 108 HB THR 87 HB THR 87 -13.596 -8.655 -4.768 109 HG1 THR 87 HG1 THR 87 -12.681 -7.133 -2.627 110 HG21 THR 87 HG21 THR 87 -15.009 -7.777 -2.280 111 HG22 THR 87 HG22 THR 87 -14.677 -6.663 -3.612 112 HG23 THR 87 HG23 THR 87 -15.680 -8.091 -3.882 113 H LEU 88 H LEU 88 -11.206 -9.803 -2.275 114 HA LEU 88 HA LEU 88 -10.119 -11.170 -4.549 115 HB2 LEU 88 HB2 LEU 88 -8.845 -10.237 -1.962 116 HB3 LEU 88 HB3 LEU 88 -7.957 -10.929 -3.306 117 HG LEU 88 HG LEU 88 -9.483 -8.325 -3.312 118 HD11 LEU 88 HD11 LEU 88 -7.316 -8.235 -2.159 119 HD12 LEU 88 HD12 LEU 88 -6.532 -8.907 -3.593 120 HD13 LEU 88 HD13 LEU 88 -7.294 -7.312 -3.672 121 HD21 LEU 88 HD21 LEU 88 -8.007 -9.718 -5.541 122 HD22 LEU 88 HD22 LEU 88 -9.745 -9.423 -5.449 123 HD23 LEU 88 HD23 LEU 88 -8.627 -8.067 -5.606 124 H SER 89 H SER 89 -10.142 -13.326 -4.709 125 HA SER 89 HA SER 89 -10.996 -15.050 -2.686 126 HB2 SER 89 HB2 SER 89 -9.997 -16.860 -4.195 127 HB3 SER 89 HB3 SER 89 -11.219 -15.813 -4.919 128 HG SER 89 HG SER 89 -8.622 -16.170 -5.615 129 H GLN 90 H GLN 90 -7.819 -13.861 -3.529 130 HA GLN 90 HA GLN 90 -6.795 -14.987 -1.042 131 HB2 GLN 90 HB2 GLN 90 -5.132 -14.715 -3.556 132 HB3 GLN 90 HB3 GLN 90 -4.699 -15.544 -2.067 133 HG2 GLN 90 HG2 GLN 90 -6.876 -16.430 -3.944 134 HG3 GLN 90 HG3 GLN 90 -5.223 -17.048 -3.970 135 HE21 GLN 90 HE21 GLN 90 -7.754 -18.444 -3.498 136 HE22 GLN 90 HE22 GLN 90 -7.601 -19.182 -1.938 No H/Q in entry = 136 In of MODEL 1 1 HA PRO 91 HA PRO 91 -5.922 -10.561 -0.337 2 HB2 PRO 91 HB2 PRO 91 -3.534 -11.938 0.860 3 HB3 PRO 91 HB3 PRO 91 -4.414 -10.513 1.452 4 HG2 PRO 91 HG2 PRO 91 -4.944 -12.833 2.548 5 HG3 PRO 91 HG3 PRO 91 -6.302 -11.790 2.034 6 HD2 PRO 91 HD2 PRO 91 -5.180 -14.265 0.711 7 HD3 PRO 91 HD3 PRO 91 -6.887 -13.736 0.844 8 H LYS 92 H LYS 92 -4.747 -9.089 -1.400 9 HA LYS 92 HA LYS 92 -3.232 -10.171 -3.617 10 HB2 LYS 92 HB2 LYS 92 -5.147 -8.635 -3.999 11 HB3 LYS 92 HB3 LYS 92 -4.181 -7.352 -3.267 12 HG2 LYS 92 HG2 LYS 92 -3.986 -7.244 -5.664 13 HG3 LYS 92 HG3 LYS 92 -2.439 -7.740 -4.954 14 HD2 LYS 92 HD2 LYS 92 -2.800 -9.138 -6.815 15 HD3 LYS 92 HD3 LYS 92 -3.130 -10.096 -5.375 16 HE2 LYS 92 HE2 LYS 92 -4.792 -10.537 -7.088 17 HE3 LYS 92 HE3 LYS 92 -5.529 -9.752 -5.693 18 HZ1 LYS 92 HZ1 LYS 92 -4.679 -8.299 -8.138 19 HZ2 LYS 92 HZ2 LYS 92 -6.252 -8.876 -7.888 20 HZ3 LYS 92 HZ3 LYS 92 -5.608 -7.695 -6.856 21 H ILE 93 H ILE 93 -1.122 -10.088 -3.677 22 HA ILE 93 HA ILE 93 0.269 -8.059 -2.067 23 HB ILE 93 HB ILE 93 1.302 -10.680 -3.122 24 HG12 ILE 93 HG12 ILE 93 0.449 -9.707 -0.428 25 HG13 ILE 93 HG13 ILE 93 0.171 -11.235 -1.232 26 HG21 ILE 93 HG21 ILE 93 3.043 -9.015 -3.247 27 HG22 ILE 93 HG22 ILE 93 2.735 -8.573 -1.565 28 HG23 ILE 93 HG23 ILE 93 3.349 -10.172 -1.946 29 HD11 ILE 93 HD11 ILE 93 2.758 -10.391 -0.104 30 HD12 ILE 93 HD12 ILE 93 1.585 -11.443 0.687 31 HD13 ILE 93 HD13 ILE 93 2.368 -11.960 -0.811 32 H VAL 94 H VAL 94 1.264 -6.514 -3.084 33 HA VAL 94 HA VAL 94 2.230 -6.978 -5.815 34 HB VAL 94 HB VAL 94 0.992 -4.407 -4.794 35 HG11 VAL 94 HG11 VAL 94 2.908 -3.956 -6.249 36 HG12 VAL 94 HG12 VAL 94 2.233 -5.026 -7.480 37 HG13 VAL 94 HG13 VAL 94 1.393 -3.536 -7.051 38 HG21 VAL 94 HG21 VAL 94 -0.650 -6.120 -5.393 39 HG22 VAL 94 HG22 VAL 94 -0.678 -4.771 -6.531 40 HG23 VAL 94 HG23 VAL 94 0.103 -6.287 -6.979 41 H LYS 95 H LYS 95 4.282 -6.595 -6.030 42 HA LYS 95 HA LYS 95 5.781 -5.791 -3.676 43 HB2 LYS 95 HB2 LYS 95 7.501 -6.968 -4.530 44 HB3 LYS 95 HB3 LYS 95 6.309 -7.610 -5.646 45 HG2 LYS 95 HG2 LYS 95 6.989 -6.122 -7.361 46 HG3 LYS 95 HG3 LYS 95 7.970 -5.178 -6.237 47 HD2 LYS 95 HD2 LYS 95 8.966 -7.706 -5.915 48 HD3 LYS 95 HD3 LYS 95 8.585 -7.669 -7.633 49 HE2 LYS 95 HE2 LYS 95 10.904 -6.954 -7.075 50 HE3 LYS 95 HE3 LYS 95 9.975 -5.758 -7.976 51 HZ1 LYS 95 HZ1 LYS 95 10.355 -5.729 -5.039 52 HZ2 LYS 95 HZ2 LYS 95 11.284 -4.825 -6.129 53 HZ3 LYS 95 HZ3 LYS 95 9.624 -4.522 -5.972 54 H TRP 96 H TRP 96 7.120 -3.973 -3.541 55 HA TRP 96 HA TRP 96 6.168 -1.740 -5.094 56 HB2 TRP 96 HB2 TRP 96 6.650 -1.351 -2.722 57 HB3 TRP 96 HB3 TRP 96 8.312 -1.932 -2.922 58 HD1 TRP 96 HD1 TRP 96 6.070 1.045 -3.972 59 HE1 TRP 96 HE1 TRP 96 7.576 3.028 -4.558 60 HE3 TRP 96 HE3 TRP 96 10.627 -1.230 -3.492 61 HZ2 TRP 96 HZ2 TRP 96 10.333 3.575 -4.787 62 HZ3 TRP 96 HZ3 TRP 96 12.652 0.093 -3.909 63 HH2 TRP 96 HH2 TRP 96 12.501 2.466 -4.548 64 H ASP 97 H ASP 97 7.264 -0.709 -6.703 65 HA ASP 97 HA ASP 97 10.100 -1.036 -6.948 66 HB2 ASP 97 HB2 ASP 97 8.873 -3.002 -8.240 67 HB3 ASP 97 HB3 ASP 97 8.762 -1.757 -9.483 68 H ARG 98 H ARG 98 10.867 0.032 -8.976 69 HA ARG 98 HA ARG 98 9.499 2.642 -9.141 70 HB2 ARG 98 HB2 ARG 98 11.947 3.428 -9.616 71 HB3 ARG 98 HB3 ARG 98 11.476 3.075 -7.971 72 HG2 ARG 98 HG2 ARG 98 13.126 1.607 -7.773 73 HG3 ARG 98 HG3 ARG 98 12.437 0.656 -9.081 74 HD2 ARG 98 HD2 ARG 98 13.696 2.180 -10.665 75 HD3 ARG 98 HD3 ARG 98 14.578 2.790 -9.259 76 HE ARG 98 HE ARG 98 14.943 0.192 -8.958 77 HH11 ARG 98 HH11 ARG 98 15.064 2.066 -11.906 78 HH12 ARG 98 HH12 ARG 98 16.404 1.176 -12.565 79 HH21 ARG 98 HH21 ARG 98 16.669 -1.018 -9.824 80 HH22 ARG 98 HH22 ARG 98 17.303 -0.601 -11.390 81 H ASP 99 H ASP 99 10.928 -0.008 -10.865 82 HA ASP 99 HA ASP 99 10.529 1.423 -13.409 83 HB2 ASP 99 HB2 ASP 99 12.972 0.137 -12.367 84 HB3 ASP 99 HB3 ASP 99 12.600 -0.147 -14.064 85 H MET 100 H MET 100 9.769 -1.123 -11.517 86 HA MET 100 HA MET 100 9.315 -2.931 -13.803 87 HB2 MET 100 HB2 MET 100 9.354 -3.763 -10.904 88 HB3 MET 100 HB3 MET 100 9.501 -4.780 -12.336 89 HG2 MET 100 HG2 MET 100 11.504 -2.699 -11.525 90 HG3 MET 100 HG3 MET 100 11.626 -4.413 -11.088 91 HE1 MET 100 HE1 MET 100 10.461 -5.786 -13.714 92 HE2 MET 100 HE2 MET 100 11.925 -6.081 -14.651 93 HE3 MET 100 HE3 MET 100 11.914 -6.381 -12.913 No H/Q in entry = 93 In of MODEL 2 1 HA ILE 2 HA ILE 2 -21.762 -8.886 -5.117 2 HB ILE 2 HB ILE 2 -19.871 -9.815 -6.636 3 HG12 ILE 2 HG12 ILE 2 -20.449 -9.444 -9.091 4 HG13 ILE 2 HG13 ILE 2 -21.380 -8.046 -8.573 5 HG21 ILE 2 HG21 ILE 2 -22.780 -10.015 -7.382 6 HG22 ILE 2 HG22 ILE 2 -21.522 -11.144 -7.881 7 HG23 ILE 2 HG23 ILE 2 -21.930 -10.978 -6.174 8 HD11 ILE 2 HD11 ILE 2 -18.423 -8.439 -8.178 9 HD12 ILE 2 HD12 ILE 2 -19.186 -7.406 -9.387 10 HD13 ILE 2 HD13 ILE 2 -19.356 -7.030 -7.672 No H/Q in entry = 10 In of MODEL 2 1 H GLN 3 H GLN 3 -21.116 -6.171 -4.534 2 HA GLN 3 HA GLN 3 -19.553 -4.886 -3.553 3 HB2 GLN 3 HB2 GLN 3 -19.224 -7.079 -2.294 4 HB3 GLN 3 HB3 GLN 3 -17.872 -7.398 -3.364 5 HG2 GLN 3 HG2 GLN 3 -17.255 -6.467 -1.118 6 HG3 GLN 3 HG3 GLN 3 -16.641 -5.560 -2.506 7 HE21 GLN 3 HE21 GLN 3 -18.980 -5.571 0.087 8 HE22 GLN 3 HE22 GLN 3 -19.336 -3.881 0.022 No H/Q in entry = 8 In of MODEL 2 1 H ARG 4 H ARG 4 -16.986 -4.438 -3.669 2 HA ARG 4 HA ARG 4 -16.289 -4.392 -6.534 3 HB2 ARG 4 HB2 ARG 4 -17.087 -2.215 -6.101 4 HB3 ARG 4 HB3 ARG 4 -16.350 -2.169 -4.513 5 HG2 ARG 4 HG2 ARG 4 -14.210 -1.696 -5.361 6 HG3 ARG 4 HG3 ARG 4 -14.644 -2.240 -6.996 7 HD2 ARG 4 HD2 ARG 4 -14.469 0.265 -6.674 8 HD3 ARG 4 HD3 ARG 4 -15.997 -0.301 -7.356 9 HE ARG 4 HE ARG 4 -16.526 -0.199 -4.707 10 HH11 ARG 4 HH11 ARG 4 -15.146 2.129 -6.928 11 HH12 ARG 4 HH12 ARG 4 -15.787 3.506 -6.086 12 HH21 ARG 4 HH21 ARG 4 -17.365 1.617 -3.585 13 HH22 ARG 4 HH22 ARG 4 -17.057 3.216 -4.187 No H/Q in entry = 13 In of MODEL 2 1 H THR 5 H THR 5 -14.194 -4.874 -7.022 2 HA THR 5 HA THR 5 -12.653 -6.057 -4.891 3 HB THR 5 HB THR 5 -11.161 -6.901 -6.595 4 HG1 THR 5 HG1 THR 5 -11.556 -4.759 -7.878 5 HG21 THR 5 HG21 THR 5 -14.082 -7.060 -7.258 6 HG22 THR 5 HG22 THR 5 -12.880 -7.895 -8.235 7 HG23 THR 5 HG23 THR 5 -13.035 -8.277 -6.527 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 6 HA PRO 6 -10.380 -2.216 -4.373 2 HB2 PRO 6 HB2 PRO 6 -8.796 -3.625 -2.378 3 HB3 PRO 6 HB3 PRO 6 -9.914 -2.274 -2.162 4 HG2 PRO 6 HG2 PRO 6 -10.402 -4.816 -1.275 5 HG3 PRO 6 HG3 PRO 6 -11.676 -3.638 -1.664 6 HD2 PRO 6 HD2 PRO 6 -10.684 -5.978 -3.253 7 HD3 PRO 6 HD3 PRO 6 -12.322 -5.288 -3.134 No H/Q in entry = 7 In of MODEL 2 1 H LYS 7 H LYS 7 -8.639 -1.587 -5.476 2 HA LYS 7 HA LYS 7 -6.960 -3.738 -6.553 3 HB2 LYS 7 HB2 LYS 7 -8.342 -2.201 -8.072 4 HB3 LYS 7 HB3 LYS 7 -7.213 -0.928 -7.635 5 HG2 LYS 7 HG2 LYS 7 -5.386 -2.120 -8.634 6 HG3 LYS 7 HG3 LYS 7 -6.410 -3.528 -8.921 7 HD2 LYS 7 HD2 LYS 7 -6.731 -0.799 -10.174 8 HD3 LYS 7 HD3 LYS 7 -6.131 -2.252 -10.973 9 HE2 LYS 7 HE2 LYS 7 -8.301 -3.341 -10.596 10 HE3 LYS 7 HE3 LYS 7 -8.896 -1.872 -9.824 11 HZ1 LYS 7 HZ1 LYS 7 -8.480 -0.698 -11.944 12 HZ2 LYS 7 HZ2 LYS 7 -8.067 -2.179 -12.660 13 HZ3 LYS 7 HZ3 LYS 7 -9.642 -1.927 -12.080 No H/Q in entry = 13 In of MODEL 2 1 H ILE 8 H ILE 8 -4.733 -3.499 -6.639 2 HA ILE 8 HA ILE 8 -3.727 -1.959 -4.365 3 HB ILE 8 HB ILE 8 -2.486 -4.258 -5.891 4 HG12 ILE 8 HG12 ILE 8 -2.599 -5.498 -3.847 5 HG13 ILE 8 HG13 ILE 8 -3.047 -4.068 -2.939 6 HG21 ILE 8 HG21 ILE 8 -1.278 -2.490 -3.786 7 HG22 ILE 8 HG22 ILE 8 -0.638 -4.075 -4.210 8 HG23 ILE 8 HG23 ILE 8 -0.687 -2.793 -5.420 9 HD11 ILE 8 HD11 ILE 8 -4.781 -5.346 -5.020 10 HD12 ILE 8 HD12 ILE 8 -4.875 -5.681 -3.289 11 HD13 ILE 8 HD13 ILE 8 -5.224 -4.061 -3.893 No H/Q in entry = 11 In of MODEL 2 1 H GLN 9 H GLN 9 -2.746 -0.129 -4.675 2 HA GLN 9 HA GLN 9 -0.992 0.140 -7.016 3 HB2 GLN 9 HB2 GLN 9 -2.027 2.749 -6.167 4 HB3 GLN 9 HB3 GLN 9 -2.077 2.080 -7.805 5 HG2 GLN 9 HG2 GLN 9 -4.108 1.026 -7.467 6 HG3 GLN 9 HG3 GLN 9 -4.025 1.172 -5.717 7 HE21 GLN 9 HE21 GLN 9 -3.175 3.786 -7.858 8 HE22 GLN 9 HE22 GLN 9 -4.531 4.803 -7.487 No H/Q in entry = 8 In of MODEL 2 1 H VAL 10 H VAL 10 1.002 0.424 -6.327 2 HA VAL 10 HA VAL 10 1.542 1.810 -3.806 3 HB VAL 10 HB VAL 10 1.614 -0.404 -3.008 4 HG11 VAL 10 HG11 VAL 10 1.493 -1.505 -5.215 5 HG12 VAL 10 HG12 VAL 10 3.227 -1.245 -5.410 6 HG13 VAL 10 HG13 VAL 10 2.629 -2.280 -4.111 7 HG21 VAL 10 HG21 VAL 10 4.439 0.306 -3.801 8 HG22 VAL 10 HG22 VAL 10 3.599 0.813 -2.334 9 HG23 VAL 10 HG23 VAL 10 3.997 -0.890 -2.582 No H/Q in entry = 9 In of MODEL 2 1 H TYR 11 H TYR 11 3.221 3.155 -3.885 2 HA TYR 11 HA TYR 11 5.335 2.864 -5.818 3 HB2 TYR 11 HB2 TYR 11 4.916 5.043 -6.929 4 HB3 TYR 11 HB3 TYR 11 3.640 3.877 -7.250 5 HD1 TYR 11 HD1 TYR 11 4.488 6.983 -5.454 6 HD2 TYR 11 HD2 TYR 11 1.406 4.240 -6.475 7 HE1 TYR 11 HE1 TYR 11 2.801 8.600 -4.683 8 HE2 TYR 11 HE2 TYR 11 -0.288 5.842 -5.705 9 HH TYR 11 HH TYR 11 -0.383 7.762 -4.083 No H/Q in entry = 9 In of MODEL 2 1 H SER 12 H SER 12 6.886 4.721 -5.643 2 HA SER 12 HA SER 12 7.145 5.543 -2.860 3 HB2 SER 12 HB2 SER 12 9.081 4.557 -4.074 4 HB3 SER 12 HB3 SER 12 9.009 5.881 -5.232 5 HG SER 12 HG SER 12 10.066 7.074 -3.894 No H/Q in entry = 5 In of MODEL 2 1 H ARG 13 H ARG 13 6.901 7.625 -2.169 2 HA ARG 13 HA ARG 13 5.256 9.335 -3.680 3 HB2 ARG 13 HB2 ARG 13 5.544 9.329 -1.151 4 HB3 ARG 13 HB3 ARG 13 7.067 10.165 -1.373 5 HG2 ARG 13 HG2 ARG 13 4.477 11.354 -2.349 6 HG3 ARG 13 HG3 ARG 13 5.039 11.542 -0.697 7 HD2 ARG 13 HD2 ARG 13 7.015 12.159 -2.790 8 HD3 ARG 13 HD3 ARG 13 5.632 13.240 -2.699 9 HE ARG 13 HE ARG 13 6.275 13.861 -0.521 10 HH11 ARG 13 HH11 ARG 13 8.534 11.619 -1.976 11 HH12 ARG 13 HH12 ARG 13 9.847 12.059 -0.926 12 HH21 ARG 13 HH21 ARG 13 7.977 14.426 0.871 13 HH22 ARG 13 HH22 ARG 13 9.519 13.637 0.713 No H/Q in entry = 13 In of MODEL 2 1 H HIS 14 H HIS 14 8.723 9.186 -3.519 2 HA HIS 14 HA HIS 14 8.823 10.881 -5.858 3 HB2 HIS 14 HB2 HIS 14 10.038 11.636 -3.260 4 HB3 HIS 14 HB3 HIS 14 11.059 11.853 -4.680 5 HD2 HIS 14 HD2 HIS 14 8.923 14.070 -2.734 6 HE1 HIS 14 HE1 HIS 14 8.109 15.148 -6.746 7 HE2 HIS 14 HE2 HIS 14 7.756 15.761 -4.310 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 15 HA PRO 15 11.828 8.260 -7.687 2 HB2 PRO 15 HB2 PRO 15 14.356 9.494 -7.326 3 HB3 PRO 15 HB3 PRO 15 13.301 9.597 -8.746 4 HG2 PRO 15 HG2 PRO 15 13.638 11.545 -6.486 5 HG3 PRO 15 HG3 PRO 15 13.214 11.840 -8.205 6 HD2 PRO 15 HD2 PRO 15 11.362 11.992 -6.248 7 HD3 PRO 15 HD3 PRO 15 10.962 11.341 -7.866 No H/Q in entry = 7 In of MODEL 2 1 H ALA 16 H ALA 16 12.749 6.431 -7.093 2 HA ALA 16 HA ALA 16 13.368 5.894 -4.370 3 HB1 ALA 16 HB1 ALA 16 12.424 4.209 -5.894 4 HB2 ALA 16 HB2 ALA 16 13.926 4.219 -6.816 5 HB3 ALA 16 HB3 ALA 16 13.920 3.658 -5.146 No H/Q in entry = 5 In of MODEL 2 1 H GLU 17 H GLU 17 15.177 6.708 -3.465 2 HA GLU 17 HA GLU 17 17.668 6.463 -4.989 3 HB2 GLU 17 HB2 GLU 17 17.020 8.752 -4.180 4 HB3 GLU 17 HB3 GLU 17 17.200 8.156 -2.530 5 HG2 GLU 17 HG2 GLU 17 19.189 9.365 -3.283 6 HG3 GLU 17 HG3 GLU 17 19.539 7.671 -2.937 No H/Q in entry = 6 In of MODEL 2 1 H ASN 18 H ASN 18 18.883 4.845 -4.484 2 HA ASN 18 HA ASN 18 18.350 3.239 -2.160 3 HB2 ASN 18 HB2 ASN 18 18.766 1.872 -3.939 4 HB3 ASN 18 HB3 ASN 18 19.968 2.948 -4.649 5 HD21 ASN 18 HD21 ASN 18 21.382 1.287 -5.031 6 HD22 ASN 18 HD22 ASN 18 22.262 0.490 -3.771 No H/Q in entry = 6 In of MODEL 2 1 H GLY 19 H GLY 19 19.284 3.308 -0.304 2 HA2 GLY 19 HA2 GLY 19 21.992 4.339 0.055 3 HA3 GLY 19 HA3 GLY 19 20.965 3.600 1.298 No H/Q in entry = 3 In of MODEL 2 1 H LYS 20 H LYS 20 18.733 5.333 0.285 2 HA LYS 20 HA LYS 20 19.437 7.786 1.727 3 HB2 LYS 20 HB2 LYS 20 19.672 8.032 -0.762 4 HB3 LYS 20 HB3 LYS 20 17.966 7.649 -0.908 5 HG2 LYS 20 HG2 LYS 20 18.078 9.979 -1.036 6 HG3 LYS 20 HG3 LYS 20 17.510 9.629 0.599 7 HD2 LYS 20 HD2 LYS 20 19.922 9.852 1.347 8 HD3 LYS 20 HD3 LYS 20 20.279 10.469 -0.263 9 HE2 LYS 20 HE2 LYS 20 18.669 12.318 0.107 10 HE3 LYS 20 HE3 LYS 20 18.364 11.708 1.737 11 HZ1 LYS 20 HZ1 LYS 20 20.840 11.965 2.084 12 HZ2 LYS 20 HZ2 LYS 20 20.853 12.880 0.654 13 HZ3 LYS 20 HZ3 LYS 20 19.931 13.393 1.986 No H/Q in entry = 13 In of MODEL 2 1 H SER 21 H SER 21 17.727 8.695 2.833 2 HA SER 21 HA SER 21 15.521 6.976 3.415 3 HB2 SER 21 HB2 SER 21 16.154 9.808 4.230 4 HB3 SER 21 HB3 SER 21 14.817 8.863 4.886 5 HG SER 21 HG SER 21 16.899 7.322 5.116 No H/Q in entry = 5 In of MODEL 2 1 H ASN 22 H ASN 22 13.395 7.198 2.863 2 HA ASN 22 HA ASN 22 12.530 9.332 1.104 3 HB2 ASN 22 HB2 ASN 22 13.750 7.212 -0.132 4 HB3 ASN 22 HB3 ASN 22 12.068 6.665 -0.095 5 HD21 ASN 22 HD21 ASN 22 11.487 6.908 -2.178 6 HD22 ASN 22 HD22 ASN 22 11.561 8.396 -3.053 No H/Q in entry = 6 In of MODEL 2 1 H PHE 23 H PHE 23 10.227 8.090 0.075 2 HA PHE 23 HA PHE 23 8.853 7.219 2.535 3 HB2 PHE 23 HB2 PHE 23 8.776 9.775 1.892 4 HB3 PHE 23 HB3 PHE 23 7.473 9.256 0.869 5 HD1 PHE 23 HD1 PHE 23 8.257 10.729 3.807 6 HD2 PHE 23 HD2 PHE 23 5.828 7.591 2.305 7 HE1 PHE 23 HE1 PHE 23 6.788 10.957 5.760 8 HE2 PHE 23 HE2 PHE 23 4.352 7.791 4.267 9 HZ PHE 23 HZ PHE 23 4.850 9.470 6.001 No H/Q in entry = 9 In of MODEL 2 1 H LEU 24 H LEU 24 7.074 6.014 2.256 2 HA LEU 24 HA LEU 24 6.775 4.824 -0.434 3 HB2 LEU 24 HB2 LEU 24 7.445 3.627 1.944 4 HB3 LEU 24 HB3 LEU 24 5.720 3.329 1.870 5 HG LEU 24 HG LEU 24 7.862 2.370 -0.050 6 HD11 LEU 24 HD11 LEU 24 5.837 0.920 1.670 7 HD12 LEU 24 HD12 LEU 24 6.987 0.156 0.564 8 HD13 LEU 24 HD13 LEU 24 7.571 1.046 1.973 9 HD21 LEU 24 HD21 LEU 24 4.869 2.123 -0.399 10 HD22 LEU 24 HD22 LEU 24 5.956 3.081 -1.406 11 HD23 LEU 24 HD23 LEU 24 6.097 1.324 -1.381 No H/Q in entry = 11 In of MODEL 2 1 H ASN 25 H ASN 25 4.651 4.157 -1.045 2 HA ASN 25 HA ASN 25 2.446 5.209 0.543 3 HB2 ASN 25 HB2 ASN 25 2.939 7.038 -0.939 4 HB3 ASN 25 HB3 ASN 25 2.986 5.963 -2.336 5 HD21 ASN 25 HD21 ASN 25 1.019 7.635 -0.051 6 HD22 ASN 25 HD22 ASN 25 -0.491 7.392 -0.866 No H/Q in entry = 6 In of MODEL 2 1 H CYS 26 H CYS 26 0.821 3.821 0.637 2 HA CYS 26 HA CYS 26 0.392 1.944 -1.587 3 HB2 CYS 26 HB2 CYS 26 1.366 1.005 0.660 4 HB3 CYS 26 HB3 CYS 26 -0.298 1.184 1.223 No H/Q in entry = 4 In of MODEL 2 1 H TYR 27 H TYR 27 -1.526 2.197 -2.461 2 HA TYR 27 HA TYR 27 -3.611 3.645 -0.959 3 HB2 TYR 27 HB2 TYR 27 -2.356 4.251 -3.545 4 HB3 TYR 27 HB3 TYR 27 -4.106 4.179 -3.634 5 HD1 TYR 27 HD1 TYR 27 -1.369 6.280 -3.111 6 HD2 TYR 27 HD2 TYR 27 -5.330 5.631 -1.699 7 HE1 TYR 27 HE1 TYR 27 -1.499 8.623 -2.404 8 HE2 TYR 27 HE2 TYR 27 -5.467 7.982 -1.007 9 HH TYR 27 HH TYR 27 -3.135 10.314 -1.914 No H/Q in entry = 9 In of MODEL 2 1 H VAL 28 H VAL 28 -4.983 1.989 -0.509 2 HA VAL 28 HA VAL 28 -5.744 0.248 -2.752 3 HB VAL 28 HB VAL 28 -6.604 -0.280 0.069 4 HG11 VAL 28 HG11 VAL 28 -6.005 -1.997 -2.327 5 HG12 VAL 28 HG12 VAL 28 -6.527 -2.605 -0.755 6 HG13 VAL 28 HG13 VAL 28 -7.602 -1.577 -1.701 7 HG21 VAL 28 HG21 VAL 28 -3.922 -0.989 -1.114 8 HG22 VAL 28 HG22 VAL 28 -4.225 0.001 0.315 9 HG23 VAL 28 HG23 VAL 28 -4.597 -1.726 0.344 No H/Q in entry = 9 In of MODEL 2 1 H SER 29 H SER 29 -7.528 0.898 -3.773 2 HA SER 29 HA SER 29 -9.650 2.162 -2.194 3 HB2 SER 29 HB2 SER 29 -9.994 3.775 -4.068 4 HB3 SER 29 HB3 SER 29 -8.442 3.966 -3.249 5 HG SER 29 HG SER 29 -7.413 3.321 -4.995 No H/Q in entry = 5 In of MODEL 2 1 H GLY 30 H GLY 30 -11.713 2.333 -3.525 2 HA2 GLY 30 HA2 GLY 30 -12.104 0.358 -5.570 3 HA3 GLY 30 HA3 GLY 30 -13.353 1.336 -4.803 No H/Q in entry = 3 In of MODEL 2 1 H PHE 31 H PHE 31 -14.646 0.285 -3.278 2 HA PHE 31 HA PHE 31 -14.582 -2.175 -2.508 3 HB2 PHE 31 HB2 PHE 31 -13.329 -2.559 -0.499 4 HB3 PHE 31 HB3 PHE 31 -12.245 -2.027 -1.780 5 HD1 PHE 31 HD1 PHE 31 -13.901 -0.996 1.364 6 HD2 PHE 31 HD2 PHE 31 -10.906 -0.133 -1.533 7 HE1 PHE 31 HE1 PHE 31 -12.850 0.581 2.924 8 HE2 PHE 31 HE2 PHE 31 -9.862 1.461 0.020 9 HZ PHE 31 HZ PHE 31 -10.825 1.794 2.256 No H/Q in entry = 9 In of MODEL 2 1 H HIS 32 H HIS 32 -15.559 -2.677 -0.261 2 HA HIS 32 HA HIS 32 -16.682 -0.524 1.208 3 HB2 HIS 32 HB2 HIS 32 -18.228 -0.450 -0.803 4 HB3 HIS 32 HB3 HIS 32 -18.700 -2.113 -0.448 5 HD2 HIS 32 HD2 HIS 32 -19.087 1.475 1.079 6 HE1 HIS 32 HE1 HIS 32 -22.085 -1.076 2.634 7 HE2 HIS 32 HE2 HIS 32 -21.248 1.319 2.506 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 33 HA PRO 33 -18.674 -0.597 2.969 2 HB2 PRO 33 HB2 PRO 33 -17.858 -1.270 5.714 3 HB3 PRO 33 HB3 PRO 33 -19.465 -0.935 5.064 4 HG2 PRO 33 HG2 PRO 33 -18.766 -3.402 5.794 5 HG3 PRO 33 HG3 PRO 33 -19.781 -3.122 4.365 6 HD2 PRO 33 HD2 PRO 33 -16.833 -3.668 4.512 7 HD3 PRO 33 HD3 PRO 33 -18.053 -4.383 3.434 No H/Q in entry = 7 In of MODEL 2 1 H SER 34 H SER 34 -17.903 0.893 5.034 2 HA SER 34 HA SER 34 -15.721 2.390 4.121 3 HB2 SER 34 HB2 SER 34 -15.971 3.632 6.289 4 HB3 SER 34 HB3 SER 34 -17.491 3.391 5.415 5 HG SER 34 HG SER 34 -17.014 1.300 7.065 No H/Q in entry = 5 In of MODEL 2 1 H ASP 35 H ASP 35 -14.533 -0.143 4.421 2 HA ASP 35 HA ASP 35 -12.200 0.601 5.874 3 HB2 ASP 35 HB2 ASP 35 -12.206 -0.882 7.715 4 HB3 ASP 35 HB3 ASP 35 -13.820 -0.174 7.735 No H/Q in entry = 4 In of MODEL 2 1 H ILE 36 H ILE 36 -10.456 -0.518 5.251 2 HA ILE 36 HA ILE 36 -10.710 -3.274 4.331 3 HB ILE 36 HB ILE 36 -10.606 -1.694 2.274 4 HG12 ILE 36 HG12 ILE 36 -8.830 -4.013 2.871 5 HG13 ILE 36 HG13 ILE 36 -10.229 -3.949 1.816 6 HG21 ILE 36 HG21 ILE 36 -7.757 -1.484 3.242 7 HG22 ILE 36 HG22 ILE 36 -8.342 -0.942 1.667 8 HG23 ILE 36 HG23 ILE 36 -8.917 -0.157 3.137 9 HD11 ILE 36 HD11 ILE 36 -7.542 -2.728 1.218 10 HD12 ILE 36 HD12 ILE 36 -8.116 -4.278 0.606 11 HD13 ILE 36 HD13 ILE 36 -8.932 -2.788 0.135 No H/Q in entry = 11 In of MODEL 2 1 H GLU 37 H GLU 37 -8.639 -4.451 4.606 2 HA GLU 37 HA GLU 37 -6.813 -2.986 6.371 3 HB2 GLU 37 HB2 GLU 37 -8.166 -4.963 7.308 4 HB3 GLU 37 HB3 GLU 37 -7.155 -5.969 6.282 5 HG2 GLU 37 HG2 GLU 37 -6.335 -5.888 8.590 6 HG3 GLU 37 HG3 GLU 37 -5.164 -5.224 7.451 No H/Q in entry = 6 In of MODEL 2 1 H VAL 38 H VAL 38 -4.863 -2.691 5.601 2 HA VAL 38 HA VAL 38 -3.785 -4.569 3.645 3 HB VAL 38 HB VAL 38 -4.017 -3.120 1.977 4 HG11 VAL 38 HG11 VAL 38 -4.600 -0.982 4.001 5 HG12 VAL 38 HG12 VAL 38 -4.792 -0.812 2.255 6 HG13 VAL 38 HG13 VAL 38 -5.765 -1.988 3.141 7 HG21 VAL 38 HG21 VAL 38 -2.032 -1.418 3.487 8 HG22 VAL 38 HG22 VAL 38 -1.664 -2.669 2.303 9 HG23 VAL 38 HG23 VAL 38 -2.473 -1.183 1.790 No H/Q in entry = 9 In of MODEL 2 1 H ASP 39 H ASP 39 -1.673 -4.925 3.756 2 HA ASP 39 HA ASP 39 -0.149 -3.597 5.895 3 HB2 ASP 39 HB2 ASP 39 -0.551 -5.521 7.069 4 HB3 ASP 39 HB3 ASP 39 -0.772 -6.499 5.631 No H/Q in entry = 4 In of MODEL 2 1 H LEU 40 H LEU 40 2.055 -3.442 5.578 2 HA LEU 40 HA LEU 40 2.859 -3.700 2.774 3 HB2 LEU 40 HB2 LEU 40 4.215 -2.167 4.984 4 HB3 LEU 40 HB3 LEU 40 4.573 -2.070 3.272 5 HG LEU 40 HG LEU 40 2.137 -1.030 4.699 6 HD11 LEU 40 HD11 LEU 40 4.413 0.323 3.241 7 HD12 LEU 40 HD12 LEU 40 2.979 1.143 3.870 8 HD13 LEU 40 HD13 LEU 40 4.098 0.349 4.978 9 HD21 LEU 40 HD21 LEU 40 2.726 -1.022 1.750 10 HD22 LEU 40 HD22 LEU 40 1.416 -1.885 2.562 11 HD23 LEU 40 HD23 LEU 40 1.432 -0.117 2.545 No H/Q in entry = 11 In of MODEL 2 1 H LEU 41 H LEU 41 4.697 -4.839 2.210 2 HA LEU 41 HA LEU 41 5.840 -6.521 4.342 3 HB2 LEU 41 HB2 LEU 41 5.835 -7.353 1.509 4 HB3 LEU 41 HB3 LEU 41 5.967 -8.324 2.936 5 HG LEU 41 HG LEU 41 3.462 -6.921 2.139 6 HD11 LEU 41 HD11 LEU 41 4.103 -8.587 0.456 7 HD12 LEU 41 HD12 LEU 41 4.225 -9.805 1.727 8 HD13 LEU 41 HD13 LEU 41 2.663 -9.083 1.345 9 HD21 LEU 41 HD21 LEU 41 3.714 -7.444 4.533 10 HD22 LEU 41 HD22 LEU 41 2.398 -8.342 3.771 11 HD23 LEU 41 HD23 LEU 41 3.934 -9.143 4.106 No H/Q in entry = 11 In of MODEL 2 1 H LYS 42 H LYS 42 7.970 -7.272 4.019 2 HA LYS 42 HA LYS 42 9.530 -5.967 1.926 3 HB2 LYS 42 HB2 LYS 42 10.454 -6.660 4.703 4 HB3 LYS 42 HB3 LYS 42 11.448 -5.947 3.447 5 HG2 LYS 42 HG2 LYS 42 9.793 -3.989 3.457 6 HG3 LYS 42 HG3 LYS 42 9.170 -4.688 4.922 7 HD2 LYS 42 HD2 LYS 42 10.834 -2.956 5.416 8 HD3 LYS 42 HD3 LYS 42 11.374 -4.542 5.976 9 HE2 LYS 42 HE2 LYS 42 12.759 -4.792 3.989 10 HE3 LYS 42 HE3 LYS 42 12.194 -3.238 3.381 11 HZ1 LYS 42 HZ1 LYS 42 13.173 -2.229 5.424 12 HZ2 LYS 42 HZ2 LYS 42 13.877 -3.735 5.773 13 HZ3 LYS 42 HZ3 LYS 42 14.306 -2.901 4.357 No H/Q in entry = 13 In of MODEL 2 1 H ASN 43 H ASN 43 10.103 -7.443 0.605 2 HA ASN 43 HA ASN 43 10.831 -9.384 -0.359 3 HB2 ASN 43 HB2 ASN 43 11.650 -10.044 2.486 4 HB3 ASN 43 HB3 ASN 43 12.042 -11.063 1.106 5 HD21 ASN 43 HD21 ASN 43 13.751 -9.575 3.012 6 HD22 ASN 43 HD22 ASN 43 14.771 -8.581 2.020 No H/Q in entry = 6 In of MODEL 2 1 H GLY 44 H GLY 44 8.720 -9.500 2.346 2 HA2 GLY 44 HA2 GLY 44 7.789 -12.199 1.823 3 HA3 GLY 44 HA3 GLY 44 6.640 -10.889 1.484 No H/Q in entry = 3 In of MODEL 2 1 H GLU 45 H GLU 45 8.585 -9.797 3.958 2 HA GLU 45 HA GLU 45 7.009 -11.088 6.062 3 HB2 GLU 45 HB2 GLU 45 9.566 -9.504 6.242 4 HB3 GLU 45 HB3 GLU 45 8.827 -10.431 7.541 5 HG2 GLU 45 HG2 GLU 45 9.218 -12.482 6.269 6 HG3 GLU 45 HG3 GLU 45 9.953 -11.531 4.982 No H/Q in entry = 6 In of MODEL 2 1 H ARG 46 H ARG 46 5.955 -9.849 7.625 2 HA ARG 46 HA ARG 46 4.828 -7.419 6.724 3 HB2 ARG 46 HB2 ARG 46 3.733 -9.127 8.224 4 HB3 ARG 46 HB3 ARG 46 4.762 -8.555 9.530 5 HG2 ARG 46 HG2 ARG 46 3.733 -6.363 9.418 6 HG3 ARG 46 HG3 ARG 46 2.779 -6.862 8.029 7 HD2 ARG 46 HD2 ARG 46 1.233 -7.888 9.314 8 HD3 ARG 46 HD3 ARG 46 2.445 -8.623 10.366 9 HE ARG 46 HE ARG 46 2.604 -6.214 11.294 10 HH11 ARG 46 HH11 ARG 46 -0.315 -7.862 10.257 11 HH12 ARG 46 HH12 ARG 46 -1.345 -6.985 11.349 12 HH21 ARG 46 HH21 ARG 46 1.246 -5.048 12.711 13 HH22 ARG 46 HH22 ARG 46 -0.471 -5.362 12.711 No H/Q in entry = 13 In of MODEL 2 1 H ILE 47 H ILE 47 5.363 -5.385 7.018 2 HA ILE 47 HA ILE 47 7.941 -4.681 7.850 3 HB ILE 47 HB ILE 47 5.563 -3.187 6.897 4 HG12 ILE 47 HG12 ILE 47 8.377 -3.565 5.891 5 HG13 ILE 47 HG13 ILE 47 6.947 -4.401 5.303 6 HG21 ILE 47 HG21 ILE 47 8.095 -1.902 7.862 7 HG22 ILE 47 HG22 ILE 47 6.838 -1.102 6.911 8 HG23 ILE 47 HG23 ILE 47 6.468 -1.710 8.529 9 HD11 ILE 47 HD11 ILE 47 7.458 -1.443 5.090 10 HD12 ILE 47 HD12 ILE 47 7.653 -2.618 3.789 11 HD13 ILE 47 HD13 ILE 47 6.061 -2.306 4.465 No H/Q in entry = 11 In of MODEL 2 1 H GLU 48 H GLU 48 5.045 -4.390 9.771 2 HA GLU 48 HA GLU 48 4.426 -3.505 11.750 3 HB2 GLU 48 HB2 GLU 48 7.105 -3.708 12.920 4 HB3 GLU 48 HB3 GLU 48 5.583 -4.403 13.435 5 HG2 GLU 48 HG2 GLU 48 6.950 -5.416 11.009 6 HG3 GLU 48 HG3 GLU 48 7.454 -5.937 12.612 No H/Q in entry = 6 In of MODEL 2 1 H LYS 49 H LYS 49 6.384 -1.695 9.912 2 HA LYS 49 HA LYS 49 6.573 0.471 11.896 3 HB2 LYS 49 HB2 LYS 49 8.119 0.557 9.344 4 HB3 LYS 49 HB3 LYS 49 8.567 1.135 10.947 5 HG2 LYS 49 HG2 LYS 49 8.204 -1.691 10.967 6 HG3 LYS 49 HG3 LYS 49 9.351 -1.266 9.738 7 HD2 LYS 49 HD2 LYS 49 10.655 -0.029 11.381 8 HD3 LYS 49 HD3 LYS 49 9.454 -0.417 12.614 9 HE2 LYS 49 HE2 LYS 49 11.359 -1.905 12.808 10 HE3 LYS 49 HE3 LYS 49 9.927 -2.805 12.309 11 HZ1 LYS 49 HZ1 LYS 49 10.741 -2.678 10.008 12 HZ2 LYS 49 HZ2 LYS 49 12.148 -1.908 10.554 13 HZ3 LYS 49 HZ3 LYS 49 11.819 -3.503 11.028 No H/Q in entry = 13 In of MODEL 2 1 H VAL 50 H VAL 50 4.564 -0.583 9.821 2 HA VAL 50 HA VAL 50 4.070 1.611 8.052 3 HB VAL 50 HB VAL 50 2.333 -0.740 8.798 4 HG11 VAL 50 HG11 VAL 50 1.090 1.084 7.741 5 HG12 VAL 50 HG12 VAL 50 2.228 1.069 6.388 6 HG13 VAL 50 HG13 VAL 50 1.194 -0.332 6.685 7 HG21 VAL 50 HG21 VAL 50 4.330 -0.412 6.573 8 HG22 VAL 50 HG22 VAL 50 4.448 -1.503 7.955 9 HG23 VAL 50 HG23 VAL 50 3.203 -1.754 6.736 No H/Q in entry = 9 In of MODEL 2 1 H GLU 51 H GLU 51 2.608 3.241 8.278 2 HA GLU 51 HA GLU 51 0.700 3.100 10.499 3 HB2 GLU 51 HB2 GLU 51 2.201 5.615 9.740 4 HB3 GLU 51 HB3 GLU 51 0.995 5.449 11.013 5 HG2 GLU 51 HG2 GLU 51 2.498 3.886 12.180 6 HG3 GLU 51 HG3 GLU 51 3.726 4.193 10.951 No H/Q in entry = 6 In of MODEL 2 1 H HIS 52 H HIS 52 -1.257 4.010 10.103 2 HA HIS 52 HA HIS 52 -1.741 4.945 7.357 3 HB2 HIS 52 HB2 HIS 52 -4.118 4.315 7.708 4 HB3 HIS 52 HB3 HIS 52 -3.016 2.951 7.782 5 HD2 HIS 52 HD2 HIS 52 -2.489 2.114 10.562 6 HE1 HIS 52 HE1 HIS 52 -6.250 3.595 11.805 7 HE2 HIS 52 HE2 HIS 52 -4.233 2.224 12.479 No H/Q in entry = 7 In of MODEL 2 1 H SER 53 H SER 53 -2.473 6.922 7.015 2 HA SER 53 HA SER 53 -2.767 8.691 9.277 3 HB2 SER 53 HB2 SER 53 -2.583 9.077 6.304 4 HB3 SER 53 HB3 SER 53 -3.109 10.411 7.333 5 HG SER 53 HG SER 53 -1.126 9.912 8.586 No H/Q in entry = 5 In of MODEL 2 1 H ASP 54 H ASP 54 -4.517 10.580 8.524 2 HA ASP 54 HA ASP 54 -6.918 9.553 9.522 3 HB2 ASP 54 HB2 ASP 54 -6.101 11.934 9.652 4 HB3 ASP 54 HB3 ASP 54 -6.600 12.128 7.975 No H/Q in entry = 4 In of MODEL 2 1 H LEU 55 H LEU 55 -8.738 8.821 8.637 2 HA LEU 55 HA LEU 55 -8.747 7.942 5.940 3 HB2 LEU 55 HB2 LEU 55 -9.887 6.643 7.599 4 HB3 LEU 55 HB3 LEU 55 -10.900 7.997 8.053 5 HG LEU 55 HG LEU 55 -11.118 7.107 5.230 6 HD11 LEU 55 HD11 LEU 55 -10.871 4.966 6.362 7 HD12 LEU 55 HD12 LEU 55 -12.138 5.411 7.506 8 HD13 LEU 55 HD13 LEU 55 -12.528 5.193 5.799 9 HD21 LEU 55 HD21 LEU 55 -12.571 8.869 6.248 10 HD22 LEU 55 HD22 LEU 55 -13.465 7.509 5.572 11 HD23 LEU 55 HD23 LEU 55 -13.248 7.636 7.314 No H/Q in entry = 11 In of MODEL 2 1 H SER 56 H SER 56 -9.113 9.333 4.184 2 HA SER 56 HA SER 56 -10.669 11.754 4.689 3 HB2 SER 56 HB2 SER 56 -8.959 11.017 2.303 4 HB3 SER 56 HB3 SER 56 -9.658 12.601 2.646 5 HG SER 56 HG SER 56 -8.050 11.434 4.613 No H/Q in entry = 5 In of MODEL 2 1 H PHE 57 H PHE 57 -12.385 12.378 3.257 2 HA PHE 57 HA PHE 57 -13.484 10.206 1.629 3 HB2 PHE 57 HB2 PHE 57 -14.522 9.981 3.867 4 HB3 PHE 57 HB3 PHE 57 -15.066 11.651 3.781 5 HD1 PHE 57 HD1 PHE 57 -15.306 8.475 1.833 6 HD2 PHE 57 HD2 PHE 57 -17.213 12.065 3.096 7 HE1 PHE 57 HE1 PHE 57 -17.395 7.737 0.762 8 HE2 PHE 57 HE2 PHE 57 -19.306 11.332 2.026 9 HZ PHE 57 HZ PHE 57 -19.397 9.168 0.856 No H/Q in entry = 9 In of MODEL 2 1 H SER 58 H SER 58 -14.390 10.912 -0.213 2 HA SER 58 HA SER 58 -14.709 13.818 -0.507 3 HB2 SER 58 HB2 SER 58 -14.075 11.748 -2.625 4 HB3 SER 58 HB3 SER 58 -14.270 13.477 -2.909 5 HG SER 58 HG SER 58 -12.510 13.761 -1.366 No H/Q in entry = 5 In of MODEL 2 1 H LYS 59 H LYS 59 -16.537 14.643 -1.414 2 HA LYS 59 HA LYS 59 -18.903 13.579 -0.578 3 HB2 LYS 59 HB2 LYS 59 -18.387 15.936 -1.345 4 HB3 LYS 59 HB3 LYS 59 -18.694 15.375 -2.982 5 HG2 LYS 59 HG2 LYS 59 -20.975 14.711 -2.274 6 HG3 LYS 59 HG3 LYS 59 -20.647 15.426 -0.694 7 HD2 LYS 59 HD2 LYS 59 -20.685 16.849 -3.354 8 HD3 LYS 59 HD3 LYS 59 -21.869 17.003 -2.057 9 HE2 LYS 59 HE2 LYS 59 -18.966 17.816 -1.924 10 HE3 LYS 59 HE3 LYS 59 -20.341 18.905 -2.087 11 HZ1 LYS 59 HZ1 LYS 59 -21.138 17.955 0.090 12 HZ2 LYS 59 HZ2 LYS 59 -19.605 17.237 0.253 13 HZ3 LYS 59 HZ3 LYS 59 -19.748 18.925 0.168 No H/Q in entry = 13 In of MODEL 2 1 H ASP 60 H ASP 60 -17.467 13.144 -3.760 2 HA ASP 60 HA ASP 60 -19.655 11.309 -4.453 3 HB2 ASP 60 HB2 ASP 60 -18.604 13.573 -6.139 4 HB3 ASP 60 HB3 ASP 60 -19.442 12.197 -6.847 No H/Q in entry = 4 In of MODEL 2 1 H TRP 61 H TRP 61 -16.922 10.904 -3.513 2 HA TRP 61 HA TRP 61 -15.998 9.256 -5.761 3 HB2 TRP 61 HB2 TRP 61 -14.204 10.825 -3.890 4 HB3 TRP 61 HB3 TRP 61 -13.662 9.725 -5.153 5 HD1 TRP 61 HD1 TRP 61 -14.846 13.264 -4.591 6 HE1 TRP 61 HE1 TRP 61 -14.690 14.580 -6.794 7 HE3 TRP 61 HE3 TRP 61 -13.875 9.383 -7.769 8 HZ2 TRP 61 HZ2 TRP 61 -14.213 14.039 -9.525 9 HZ3 TRP 61 HZ3 TRP 61 -13.581 9.850 -10.160 10 HH2 TRP 61 HH2 TRP 61 -13.750 12.162 -11.030 No H/Q in entry = 10 In of MODEL 2 1 H SER 62 H SER 62 -14.267 7.660 -4.854 2 HA SER 62 HA SER 62 -15.559 6.136 -2.805 3 HB2 SER 62 HB2 SER 62 -12.857 5.743 -4.144 4 HB3 SER 62 HB3 SER 62 -13.720 4.517 -3.204 5 HG SER 62 HG SER 62 -15.434 5.313 -5.005 No H/Q in entry = 5 In of MODEL 2 1 H PHE 63 H PHE 63 -15.027 6.004 -0.686 2 HA PHE 63 HA PHE 63 -13.357 7.871 0.564 3 HB2 PHE 63 HB2 PHE 63 -13.498 6.140 2.513 4 HB3 PHE 63 HB3 PHE 63 -14.953 6.981 1.992 5 HD1 PHE 63 HD1 PHE 63 -13.226 3.772 2.151 6 HD2 PHE 63 HD2 PHE 63 -16.699 5.808 0.758 7 HE1 PHE 63 HE1 PHE 63 -14.360 1.616 1.819 8 HE2 PHE 63 HE2 PHE 63 -17.833 3.653 0.426 9 HZ PHE 63 HZ PHE 63 -16.664 1.554 0.956 No H/Q in entry = 9 In of MODEL 2 1 H TYR 64 H TYR 64 -11.248 7.851 1.167 2 HA TYR 64 HA TYR 64 -9.647 5.714 -0.072 3 HB2 TYR 64 HB2 TYR 64 -8.756 8.512 0.684 4 HB3 TYR 64 HB3 TYR 64 -7.856 7.356 -0.282 5 HD1 TYR 64 HD1 TYR 64 -8.503 6.929 -2.630 6 HD2 TYR 64 HD2 TYR 64 -10.486 9.874 -0.279 7 HE1 TYR 64 HE1 TYR 64 -9.414 7.956 -4.682 8 HE2 TYR 64 HE2 TYR 64 -11.404 10.894 -2.323 9 HH TYR 64 HH TYR 64 -10.887 11.013 -4.709 No H/Q in entry = 9 In of MODEL 2 1 H LEU 65 H LEU 65 -7.986 4.719 1.075 2 HA LEU 65 HA LEU 65 -7.372 5.721 3.744 3 HB2 LEU 65 HB2 LEU 65 -8.924 4.043 4.290 4 HB3 LEU 65 HB3 LEU 65 -8.334 2.961 3.044 5 HG LEU 65 HG LEU 65 -6.323 3.522 5.092 6 HD11 LEU 65 HD11 LEU 65 -8.353 3.714 6.470 7 HD12 LEU 65 HD12 LEU 65 -8.871 2.129 5.899 8 HD13 LEU 65 HD13 LEU 65 -7.407 2.282 6.868 9 HD21 LEU 65 HD21 LEU 65 -6.191 1.755 3.382 10 HD22 LEU 65 HD22 LEU 65 -6.121 1.107 5.021 11 HD23 LEU 65 HD23 LEU 65 -7.612 0.988 4.090 No H/Q in entry = 11 In of MODEL 2 1 H LEU 66 H LEU 66 -5.271 5.735 4.169 2 HA LEU 66 HA LEU 66 -3.500 4.728 2.039 3 HB2 LEU 66 HB2 LEU 66 -3.904 7.294 2.782 4 HB3 LEU 66 HB3 LEU 66 -2.599 6.876 3.844 5 HG LEU 66 HG LEU 66 -2.451 6.591 0.860 6 HD11 LEU 66 HD11 LEU 66 -1.523 8.814 2.671 7 HD12 LEU 66 HD12 LEU 66 -0.999 8.621 0.999 8 HD13 LEU 66 HD13 LEU 66 -2.696 8.921 1.363 9 HD21 LEU 66 HD21 LEU 66 -0.308 6.497 2.977 10 HD22 LEU 66 HD22 LEU 66 -0.909 5.127 2.044 11 HD23 LEU 66 HD23 LEU 66 -0.033 6.430 1.236 No H/Q in entry = 11 In of MODEL 2 1 H TYR 67 H TYR 67 -1.916 3.355 2.565 2 HA TYR 67 HA TYR 67 -1.061 3.202 5.376 3 HB2 TYR 67 HB2 TYR 67 -1.763 1.007 3.502 4 HB3 TYR 67 HB3 TYR 67 -0.396 0.755 4.580 5 HD1 TYR 67 HD1 TYR 67 -0.729 0.719 7.020 6 HD2 TYR 67 HD2 TYR 67 -4.033 0.969 4.348 7 HE1 TYR 67 HE1 TYR 67 -2.226 -0.020 8.820 8 HE2 TYR 67 HE2 TYR 67 -5.529 0.229 6.139 9 HH TYR 67 HH TYR 67 -5.149 -1.240 8.374 No H/Q in entry = 9 In of MODEL 2 1 H TYR 68 H TYR 68 0.938 3.870 5.619 2 HA TYR 68 HA TYR 68 2.870 3.371 3.444 3 HB2 TYR 68 HB2 TYR 68 3.722 5.670 3.628 4 HB3 TYR 68 HB3 TYR 68 2.025 5.659 3.142 5 HD1 TYR 68 HD1 TYR 68 0.387 6.747 4.457 6 HD2 TYR 68 HD2 TYR 68 4.326 6.267 5.976 7 HE1 TYR 68 HE1 TYR 68 -0.126 8.324 6.271 8 HE2 TYR 68 HE2 TYR 68 3.832 7.839 7.789 9 HH TYR 68 HH TYR 68 0.596 9.027 8.354 No H/Q in entry = 9 In of MODEL 2 1 H THR 69 H THR 69 5.140 3.852 4.098 2 HA THR 69 HA THR 69 5.668 3.942 6.945 3 HB THR 69 HB THR 69 5.504 1.495 6.486 4 HG1 THR 69 HG1 THR 69 6.925 2.100 8.102 5 HG21 THR 69 HG21 THR 69 7.710 2.097 4.509 6 HG22 THR 69 HG22 THR 69 7.409 0.480 5.154 7 HG23 THR 69 HG23 THR 69 6.159 1.291 4.205 No H/Q in entry = 7 In of MODEL 2 1 H GLU 70 H GLU 70 7.597 4.906 7.369 2 HA GLU 70 HA GLU 70 8.996 6.139 5.141 3 HB2 GLU 70 HB2 GLU 70 8.357 7.271 7.345 4 HB3 GLU 70 HB3 GLU 70 9.646 6.342 8.092 5 HG2 GLU 70 HG2 GLU 70 11.176 7.427 6.368 6 HG3 GLU 70 HG3 GLU 70 9.823 8.523 6.052 No H/Q in entry = 6 In of MODEL 2 1 H PHE 71 H PHE 71 11.097 5.543 4.484 2 HA PHE 71 HA PHE 71 12.365 3.338 5.824 3 HB2 PHE 71 HB2 PHE 71 12.261 1.769 3.959 4 HB3 PHE 71 HB3 PHE 71 10.641 2.172 4.504 5 HD1 PHE 71 HD1 PHE 71 11.151 0.876 1.941 6 HD2 PHE 71 HD2 PHE 71 11.048 5.000 2.931 7 HE1 PHE 71 HE1 PHE 71 10.515 1.391 -0.373 8 HE2 PHE 71 HE2 PHE 71 10.424 5.546 0.602 9 HZ PHE 71 HZ PHE 71 10.167 3.744 -1.060 No H/Q in entry = 9 In of MODEL 2 1 H THR 72 H THR 72 14.377 2.646 4.644 2 HA THR 72 HA THR 72 15.467 4.768 2.927 3 HB THR 72 HB THR 72 16.993 3.080 4.925 4 HG1 THR 72 HG1 THR 72 16.981 4.836 6.215 5 HG21 THR 72 HG21 THR 72 17.923 5.352 3.150 6 HG22 THR 72 HG22 THR 72 18.894 4.551 4.385 7 HG23 THR 72 HG23 THR 72 18.356 3.651 2.966 No H/Q in entry = 7 In of MODEL 2 1 HA PRO 73 HA PRO 73 15.034 0.919 0.379 2 HB2 PRO 73 HB2 PRO 73 15.659 2.448 -1.914 3 HB3 PRO 73 HB3 PRO 73 14.042 1.984 -1.368 4 HG2 PRO 73 HG2 PRO 73 15.522 4.538 -0.990 5 HG3 PRO 73 HG3 PRO 73 13.782 4.273 -1.208 6 HD2 PRO 73 HD2 PRO 73 14.801 4.864 1.198 7 HD3 PRO 73 HD3 PRO 73 13.464 3.696 1.026 No H/Q in entry = 7 In of MODEL 2 1 H THR 74 H THR 74 16.471 -0.326 -0.664 2 HA THR 74 HA THR 74 19.177 0.643 -1.116 3 HB THR 74 HB THR 74 20.242 -1.259 -0.065 4 HG1 THR 74 HG1 THR 74 17.568 -2.098 0.475 5 HG21 THR 74 HG21 THR 74 18.240 -0.007 1.820 6 HG22 THR 74 HG22 THR 74 19.683 -0.898 2.314 7 HG23 THR 74 HG23 THR 74 19.842 0.617 1.424 No H/Q in entry = 7 In of MODEL 2 1 H GLU 75 H GLU 75 20.404 -1.205 -2.354 2 HA GLU 75 HA GLU 75 18.887 -1.900 -4.617 3 HB2 GLU 75 HB2 GLU 75 21.509 -1.751 -4.141 4 HB3 GLU 75 HB3 GLU 75 21.322 -3.485 -3.994 5 HG2 GLU 75 HG2 GLU 75 21.871 -3.180 -6.197 6 HG3 GLU 75 HG3 GLU 75 20.126 -3.291 -6.229 No H/Q in entry = 6 In of MODEL 2 1 H LYS 76 H LYS 76 19.709 -3.666 -1.704 2 HA LYS 76 HA LYS 76 18.946 -6.193 -2.835 3 HB2 LYS 76 HB2 LYS 76 20.177 -5.407 -0.202 4 HB3 LYS 76 HB3 LYS 76 19.761 -7.061 -0.620 5 HG2 LYS 76 HG2 LYS 76 21.510 -7.294 -2.024 6 HG3 LYS 76 HG3 LYS 76 21.413 -5.628 -2.588 7 HD2 LYS 76 HD2 LYS 76 22.385 -4.881 -0.460 8 HD3 LYS 76 HD3 LYS 76 22.569 -6.574 0.020 9 HE2 LYS 76 HE2 LYS 76 23.865 -5.219 -2.351 10 HE3 LYS 76 HE3 LYS 76 24.675 -5.721 -0.867 11 HZ1 LYS 76 HZ1 LYS 76 24.010 -8.038 -1.441 12 HZ2 LYS 76 HZ2 LYS 76 23.467 -7.469 -2.944 13 HZ3 LYS 76 HZ3 LYS 76 25.108 -7.337 -2.528 No H/Q in entry = 13 In of MODEL 2 1 H ASP 77 H ASP 77 17.590 -3.881 -0.504 2 HA ASP 77 HA ASP 77 15.888 -6.020 0.490 3 HB2 ASP 77 HB2 ASP 77 15.301 -4.670 2.322 4 HB3 ASP 77 HB3 ASP 77 16.992 -4.293 2.041 No H/Q in entry = 4 In of MODEL 2 1 H GLU 78 H GLU 78 13.607 -5.890 0.506 2 HA GLU 78 HA GLU 78 12.583 -4.473 -1.872 3 HB2 GLU 78 HB2 GLU 78 13.302 -6.796 -2.412 4 HB3 GLU 78 HB3 GLU 78 12.157 -7.407 -1.235 5 HG2 GLU 78 HG2 GLU 78 11.009 -7.675 -3.196 6 HG3 GLU 78 HG3 GLU 78 10.415 -6.094 -2.687 No H/Q in entry = 6 In of MODEL 2 1 H TYR 79 H TYR 79 10.383 -3.974 -1.792 2 HA TYR 79 HA TYR 79 8.997 -4.824 0.633 3 HB2 TYR 79 HB2 TYR 79 8.375 -2.101 -0.411 4 HB3 TYR 79 HB3 TYR 79 8.325 -2.710 1.245 5 HD1 TYR 79 HD1 TYR 79 10.056 -2.274 2.733 6 HD2 TYR 79 HD2 TYR 79 10.693 -1.621 -1.422 7 HE1 TYR 79 HE1 TYR 79 12.197 -1.173 3.231 8 HE2 TYR 79 HE2 TYR 79 12.834 -0.536 -0.929 9 HH TYR 79 HH TYR 79 14.473 -0.851 1.756 No H/Q in entry = 9 In of MODEL 2 1 H ALA 80 H ALA 80 6.735 -4.869 0.605 2 HA ALA 80 HA ALA 80 5.524 -4.875 -2.069 3 HB1 ALA 80 HB1 ALA 80 6.283 -7.139 -1.781 4 HB2 ALA 80 HB2 ALA 80 4.523 -7.090 -1.652 5 HB3 ALA 80 HB3 ALA 80 5.505 -7.230 -0.189 No H/Q in entry = 5 In of MODEL 2 1 H CYS 81 H CYS 81 3.137 -5.028 -1.985 2 HA CYS 81 HA CYS 81 2.057 -3.949 0.545 3 HB2 CYS 81 HB2 CYS 81 1.703 -3.170 -2.292 4 HB3 CYS 81 HB3 CYS 81 0.235 -3.195 -1.323 No H/Q in entry = 4 In of MODEL 2 1 H ARG 82 H ARG 82 0.443 -5.098 1.467 2 HA ARG 82 HA ARG 82 -0.867 -7.237 -0.124 3 HB2 ARG 82 HB2 ARG 82 0.667 -7.874 1.873 4 HB3 ARG 82 HB3 ARG 82 -0.599 -7.188 2.868 5 HG2 ARG 82 HG2 ARG 82 -2.127 -8.828 1.533 6 HG3 ARG 82 HG3 ARG 82 -0.604 -9.674 1.260 7 HD2 ARG 82 HD2 ARG 82 -1.980 -9.067 3.848 8 HD3 ARG 82 HD3 ARG 82 -1.460 -10.634 3.232 9 HE ARG 82 HE ARG 82 0.437 -8.553 4.123 10 HH11 ARG 82 HH11 ARG 82 -0.609 -11.911 4.075 11 HH12 ARG 82 HH12 ARG 82 0.597 -12.417 5.220 12 HH21 ARG 82 HH21 ARG 82 1.957 -9.211 5.660 13 HH22 ARG 82 HH22 ARG 82 2.054 -10.893 6.109 No H/Q in entry = 13 In of MODEL 2 1 H VAL 83 H VAL 83 -3.100 -7.269 -0.113 2 HA VAL 83 HA VAL 83 -4.431 -5.725 2.012 3 HB VAL 83 HB VAL 83 -5.906 -4.580 0.677 4 HG11 VAL 83 HG11 VAL 83 -3.398 -4.718 -0.942 5 HG12 VAL 83 HG12 VAL 83 -4.628 -3.459 -1.052 6 HG13 VAL 83 HG13 VAL 83 -3.714 -3.670 0.441 7 HG21 VAL 83 HG21 VAL 83 -5.231 -6.394 -1.628 8 HG22 VAL 83 HG22 VAL 83 -6.712 -6.427 -0.668 9 HG23 VAL 83 HG23 VAL 83 -6.349 -5.030 -1.684 No H/Q in entry = 9 In of MODEL 2 1 H ASN 84 H ASN 84 -6.261 -6.548 2.769 2 HA ASN 84 HA ASN 84 -7.155 -9.120 1.686 3 HB2 ASN 84 HB2 ASN 84 -7.432 -8.142 4.547 4 HB3 ASN 84 HB3 ASN 84 -7.828 -9.744 3.945 5 HD21 ASN 84 HD21 ASN 84 -5.177 -7.519 4.535 6 HD22 ASN 84 HD22 ASN 84 -3.964 -8.738 4.719 No H/Q in entry = 6 In of MODEL 2 1 H HIS 85 H HIS 85 -9.198 -9.144 0.871 2 HA HIS 85 HA HIS 85 -11.256 -7.686 2.300 3 HB2 HIS 85 HB2 HIS 85 -10.248 -6.272 0.341 4 HB3 HIS 85 HB3 HIS 85 -11.147 -7.383 -0.688 5 HD2 HIS 85 HD2 HIS 85 -11.938 -4.845 2.229 6 HE1 HIS 85 HE1 HIS 85 -15.312 -5.290 -0.292 7 HE2 HIS 85 HE2 HIS 85 -14.439 -4.266 1.855 No H/Q in entry = 7 In of MODEL 2 1 H VAL 86 H VAL 86 -13.460 -8.379 1.440 2 HA VAL 86 HA VAL 86 -13.492 -11.210 1.342 3 HB VAL 86 HB VAL 86 -15.917 -11.028 1.171 4 HG11 VAL 86 HG11 VAL 86 -14.886 -10.772 3.365 5 HG12 VAL 86 HG12 VAL 86 -14.751 -9.032 3.109 6 HG13 VAL 86 HG13 VAL 86 -16.342 -9.784 3.235 7 HG21 VAL 86 HG21 VAL 86 -16.005 -9.133 -0.400 8 HG22 VAL 86 HG22 VAL 86 -17.046 -8.885 1.004 9 HG23 VAL 86 HG23 VAL 86 -15.497 -8.051 0.895 No H/Q in entry = 9 In of MODEL 2 1 H THR 87 H THR 87 -13.372 -8.773 -1.089 2 HA THR 87 HA THR 87 -14.657 -10.249 -3.146 3 HB THR 87 HB THR 87 -13.771 -8.519 -4.631 4 HG1 THR 87 HG1 THR 87 -12.630 -6.966 -2.707 5 HG21 THR 87 HG21 THR 87 -14.776 -7.420 -2.013 6 HG22 THR 87 HG22 THR 87 -14.755 -6.545 -3.543 7 HG23 THR 87 HG23 THR 87 -15.766 -7.981 -3.359 No H/Q in entry = 7 In of MODEL 2 1 H LEU 88 H LEU 88 -11.317 -9.730 -2.164 2 HA LEU 88 HA LEU 88 -10.245 -11.103 -4.436 3 HB2 LEU 88 HB2 LEU 88 -8.946 -10.210 -1.849 4 HB3 LEU 88 HB3 LEU 88 -8.075 -10.904 -3.203 5 HG LEU 88 HG LEU 88 -9.533 -8.261 -3.140 6 HD11 LEU 88 HD11 LEU 88 -7.268 -8.361 -2.093 7 HD12 LEU 88 HD12 LEU 88 -6.627 -8.882 -3.662 8 HD13 LEU 88 HD13 LEU 88 -7.368 -7.286 -3.501 9 HD21 LEU 88 HD21 LEU 88 -8.230 -9.683 -5.457 10 HD22 LEU 88 HD22 LEU 88 -9.942 -9.291 -5.281 11 HD23 LEU 88 HD23 LEU 88 -8.757 -7.998 -5.470 No H/Q in entry = 11 In of MODEL 2 1 H SER 89 H SER 89 -10.218 -13.249 -4.625 2 HA SER 89 HA SER 89 -11.172 -14.951 -2.583 3 HB2 SER 89 HB2 SER 89 -10.590 -16.774 -4.192 4 HB3 SER 89 HB3 SER 89 -11.526 -15.480 -4.921 5 HG SER 89 HG SER 89 -9.266 -16.405 -5.797 No H/Q in entry = 5 In of MODEL 2 1 H GLN 90 H GLN 90 -8.048 -13.757 -3.365 2 HA GLN 90 HA GLN 90 -6.935 -15.110 -1.033 3 HB2 GLN 90 HB2 GLN 90 -5.273 -14.698 -3.517 4 HB3 GLN 90 HB3 GLN 90 -4.929 -15.729 -2.140 5 HG2 GLN 90 HG2 GLN 90 -6.336 -17.420 -2.890 6 HG3 GLN 90 HG3 GLN 90 -7.230 -16.328 -3.961 7 HE21 GLN 90 HE21 GLN 90 -6.947 -17.596 -5.760 8 HE22 GLN 90 HE22 GLN 90 -5.410 -17.818 -6.531 No H/Q in entry = 8 In of MODEL 2 1 HA PRO 91 HA PRO 91 -6.013 -10.665 -0.233 2 HB2 PRO 91 HB2 PRO 91 -3.755 -12.162 1.090 3 HB3 PRO 91 HB3 PRO 91 -4.583 -10.677 1.620 4 HG2 PRO 91 HG2 PRO 91 -5.312 -12.940 2.710 5 HG3 PRO 91 HG3 PRO 91 -6.576 -11.831 2.102 6 HD2 PRO 91 HD2 PRO 91 -5.502 -14.375 0.891 7 HD3 PRO 91 HD3 PRO 91 -7.190 -13.776 0.909 No H/Q in entry = 7 In of MODEL 2 1 H LYS 92 H LYS 92 -4.737 -9.247 -1.214 2 HA LYS 92 HA LYS 92 -3.151 -10.371 -3.375 3 HB2 LYS 92 HB2 LYS 92 -5.109 -8.782 -3.700 4 HB3 LYS 92 HB3 LYS 92 -4.032 -7.522 -3.109 5 HG2 LYS 92 HG2 LYS 92 -4.042 -7.696 -5.564 6 HG3 LYS 92 HG3 LYS 92 -2.448 -8.018 -4.849 7 HD2 LYS 92 HD2 LYS 92 -2.427 -10.047 -5.741 8 HD3 LYS 92 HD3 LYS 92 -3.913 -10.440 -4.890 9 HE2 LYS 92 HE2 LYS 92 -5.191 -9.356 -6.726 10 HE3 LYS 92 HE3 LYS 92 -3.674 -9.208 -7.624 11 HZ1 LYS 92 HZ1 LYS 92 -3.439 -11.660 -7.393 12 HZ2 LYS 92 HZ2 LYS 92 -5.006 -11.714 -6.748 13 HZ3 LYS 92 HZ3 LYS 92 -4.758 -11.188 -8.343 No H/Q in entry = 13 In of MODEL 2 1 H ILE 93 H ILE 93 -1.080 -10.198 -3.494 2 HA ILE 93 HA ILE 93 0.279 -8.040 -2.017 3 HB ILE 93 HB ILE 93 1.412 -10.707 -2.865 4 HG12 ILE 93 HG12 ILE 93 1.928 -10.797 -0.332 5 HG13 ILE 93 HG13 ILE 93 0.724 -9.528 -0.186 6 HG21 ILE 93 HG21 ILE 93 3.032 -8.898 -3.197 7 HG22 ILE 93 HG22 ILE 93 2.821 -8.416 -1.509 8 HG23 ILE 93 HG23 ILE 93 3.520 -9.988 -1.894 9 HD11 ILE 93 HD11 ILE 93 0.259 -12.263 -1.341 10 HD12 ILE 93 HD12 ILE 93 -0.207 -11.725 0.272 11 HD13 ILE 93 HD13 ILE 93 -0.952 -10.996 -1.149 No H/Q in entry = 11 In of MODEL 2 1 H VAL 94 H VAL 94 1.289 -6.590 -3.188 2 HA VAL 94 HA VAL 94 2.272 -7.333 -5.851 3 HB VAL 94 HB VAL 94 1.035 -4.654 -5.167 4 HG11 VAL 94 HG11 VAL 94 2.210 -5.664 -7.753 5 HG12 VAL 94 HG12 VAL 94 1.371 -4.127 -7.539 6 HG13 VAL 94 HG13 VAL 94 2.898 -4.422 -6.708 7 HG21 VAL 94 HG21 VAL 94 -0.661 -6.387 -5.461 8 HG22 VAL 94 HG22 VAL 94 -0.692 -5.241 -6.800 9 HG23 VAL 94 HG23 VAL 94 0.049 -6.828 -7.014 No H/Q in entry = 9 In of MODEL 2 1 H LYS 95 H LYS 95 4.294 -6.672 -6.228 2 HA LYS 95 HA LYS 95 5.796 -5.814 -3.904 3 HB2 LYS 95 HB2 LYS 95 6.638 -6.568 -6.681 4 HB3 LYS 95 HB3 LYS 95 7.751 -5.901 -5.498 5 HG2 LYS 95 HG2 LYS 95 7.154 -7.815 -3.995 6 HG3 LYS 95 HG3 LYS 95 6.315 -8.530 -5.379 7 HD2 LYS 95 HD2 LYS 95 8.316 -8.601 -6.658 8 HD3 LYS 95 HD3 LYS 95 9.187 -7.636 -5.470 9 HE2 LYS 95 HE2 LYS 95 9.860 -9.920 -5.243 10 HE3 LYS 95 HE3 LYS 95 8.888 -9.478 -3.840 11 HZ1 LYS 95 HZ1 LYS 95 7.853 -10.928 -6.219 12 HZ2 LYS 95 HZ2 LYS 95 8.329 -11.672 -4.773 13 HZ3 LYS 95 HZ3 LYS 95 7.009 -10.611 -4.783 No H/Q in entry = 13 In of MODEL 2 1 H TRP 96 H TRP 96 6.979 -3.947 -3.750 2 HA TRP 96 HA TRP 96 6.033 -1.667 -5.195 3 HB2 TRP 96 HB2 TRP 96 6.794 -1.386 -2.883 4 HB3 TRP 96 HB3 TRP 96 8.401 -1.989 -3.299 5 HD1 TRP 96 HD1 TRP 96 6.104 1.016 -4.197 6 HE1 TRP 96 HE1 TRP 96 7.608 3.037 -4.660 7 HE3 TRP 96 HE3 TRP 96 10.661 -1.237 -3.694 8 HZ2 TRP 96 HZ2 TRP 96 10.367 3.618 -4.793 9 HZ3 TRP 96 HZ3 TRP 96 12.689 0.115 -4.001 10 HH2 TRP 96 HH2 TRP 96 12.539 2.510 -4.545 No H/Q in entry = 10 In of MODEL 2 1 H ASP 97 H ASP 97 6.575 -1.342 -7.235 2 HA ASP 97 HA ASP 97 9.083 -2.552 -8.177 3 HB2 ASP 97 HB2 ASP 97 6.686 -1.749 -9.849 4 HB3 ASP 97 HB3 ASP 97 8.191 -2.431 -10.465 No H/Q in entry = 4 In of MODEL 2 1 H ARG 98 H ARG 98 10.667 -1.296 -8.458 2 HA ARG 98 HA ARG 98 10.184 1.561 -8.786 3 HB2 ARG 98 HB2 ARG 98 12.546 1.843 -8.169 4 HB3 ARG 98 HB3 ARG 98 11.648 0.995 -6.942 5 HG2 ARG 98 HG2 ARG 98 12.959 -0.758 -7.003 6 HG3 ARG 98 HG3 ARG 98 12.832 -0.907 -8.753 7 HD2 ARG 98 HD2 ARG 98 14.620 1.198 -8.357 8 HD3 ARG 98 HD3 ARG 98 15.018 0.057 -7.066 9 HE ARG 98 HE ARG 98 14.873 -0.835 -9.860 10 HH11 ARG 98 HH11 ARG 98 16.582 -0.531 -6.823 11 HH12 ARG 98 HH12 ARG 98 18.054 -1.245 -7.421 12 HH21 ARG 98 HH21 ARG 98 16.798 -1.840 -10.647 13 HH22 ARG 98 HH22 ARG 98 18.168 -1.999 -9.590 No H/Q in entry = 13 In of MODEL 2 1 H ASP 99 H ASP 99 11.912 -1.132 -10.202 2 HA ASP 99 HA ASP 99 12.017 0.378 -12.727 3 HB2 ASP 99 HB2 ASP 99 14.260 0.189 -11.700 4 HB3 ASP 99 HB3 ASP 99 14.091 -1.562 -11.673 No H/Q in entry = 4 In of MODEL 2 1 H MET 100 H MET 100 10.898 -2.284 -11.073 2 HA MET 100 HA MET 100 11.127 -4.244 -13.153 3 HB2 MET 100 HB2 MET 100 9.344 -4.367 -10.719 4 HB3 MET 100 HB3 MET 100 9.956 -5.714 -11.669 5 HG2 MET 100 HG2 MET 100 11.558 -3.875 -9.910 6 HG3 MET 100 HG3 MET 100 11.159 -5.563 -9.594 7 HE1 MET 100 HE1 MET 100 13.678 -6.150 -9.120 8 HE2 MET 100 HE2 MET 100 15.005 -5.737 -10.205 9 HE3 MET 100 HE3 MET 100 14.111 -4.458 -9.382 No H/Q in entry = 9 In of MODEL 3 1 HA ILE 2 HA ILE 2 -20.790 -9.201 -3.587 2 HB ILE 2 HB ILE 2 -19.892 -9.558 -1.261 3 HG12 ILE 2 HG12 ILE 2 -18.056 -11.513 -2.678 4 HG13 ILE 2 HG13 ILE 2 -17.554 -10.082 -1.783 5 HG21 ILE 2 HG21 ILE 2 -21.734 -10.876 -2.141 6 HG22 ILE 2 HG22 ILE 2 -20.598 -12.035 -2.832 7 HG23 ILE 2 HG23 ILE 2 -20.720 -11.855 -1.081 8 HD11 ILE 2 HD11 ILE 2 -18.413 -11.082 0.277 9 HD12 ILE 2 HD12 ILE 2 -18.881 -12.521 -0.627 10 HD13 ILE 2 HD13 ILE 2 -17.179 -12.084 -0.486 No H/Q in entry = 10 In of MODEL 3 1 H GLN 3 H GLN 3 -20.518 -7.172 -2.721 2 HA GLN 3 HA GLN 3 -19.658 -5.069 -2.535 3 HB2 GLN 3 HB2 GLN 3 -16.945 -6.373 -2.202 4 HB3 GLN 3 HB3 GLN 3 -17.388 -4.768 -1.683 5 HG2 GLN 3 HG2 GLN 3 -18.306 -7.374 -0.518 6 HG3 GLN 3 HG3 GLN 3 -17.176 -6.234 0.199 7 HE21 GLN 3 HE21 GLN 3 -20.505 -6.944 -0.430 8 HE22 GLN 3 HE22 GLN 3 -21.171 -5.667 0.534 No H/Q in entry = 8 In of MODEL 3 1 H ARG 4 H ARG 4 -17.226 -4.004 -3.307 2 HA ARG 4 HA ARG 4 -16.856 -4.813 -6.109 3 HB2 ARG 4 HB2 ARG 4 -17.711 -2.572 -6.122 4 HB3 ARG 4 HB3 ARG 4 -16.637 -2.089 -4.816 5 HG2 ARG 4 HG2 ARG 4 -14.762 -1.968 -6.186 6 HG3 ARG 4 HG3 ARG 4 -15.473 -3.023 -7.422 7 HD2 ARG 4 HD2 ARG 4 -15.355 -0.713 -8.205 8 HD3 ARG 4 HD3 ARG 4 -17.039 -1.213 -8.050 9 HE ARG 4 HE ARG 4 -16.029 0.117 -5.712 10 HH11 ARG 4 HH11 ARG 4 -17.450 0.585 -8.878 11 HH12 ARG 4 HH12 ARG 4 -17.980 2.205 -8.536 12 HH21 ARG 4 HH21 ARG 4 -16.735 2.270 -5.266 13 HH22 ARG 4 HH22 ARG 4 -17.569 3.158 -6.508 No H/Q in entry = 13 In of MODEL 3 1 H THR 5 H THR 5 -14.732 -5.171 -6.793 2 HA THR 5 HA THR 5 -13.018 -6.089 -4.718 3 HB THR 5 HB THR 5 -11.512 -6.819 -6.466 4 HG1 THR 5 HG1 THR 5 -12.297 -4.724 -7.760 5 HG21 THR 5 HG21 THR 5 -14.433 -7.243 -7.031 6 HG22 THR 5 HG22 THR 5 -13.171 -8.061 -7.949 7 HG23 THR 5 HG23 THR 5 -13.301 -8.317 -6.211 No H/Q in entry = 7 In of MODEL 3 1 HA PRO 6 HA PRO 6 -10.627 -2.279 -4.314 2 HB2 PRO 6 HB2 PRO 6 -8.957 -3.734 -2.440 3 HB3 PRO 6 HB3 PRO 6 -10.054 -2.389 -2.125 4 HG2 PRO 6 HG2 PRO 6 -10.482 -4.968 -1.264 5 HG3 PRO 6 HG3 PRO 6 -11.772 -3.764 -1.514 6 HD2 PRO 6 HD2 PRO 6 -10.931 -6.057 -3.252 7 HD3 PRO 6 HD3 PRO 6 -12.548 -5.359 -2.982 No H/Q in entry = 7 In of MODEL 3 1 H LYS 7 H LYS 7 -9.010 -1.735 -5.635 2 HA LYS 7 HA LYS 7 -7.260 -3.864 -6.641 3 HB2 LYS 7 HB2 LYS 7 -8.537 -2.555 -8.308 4 HB3 LYS 7 HB3 LYS 7 -7.794 -1.075 -7.723 5 HG2 LYS 7 HG2 LYS 7 -5.586 -1.977 -8.407 6 HG3 LYS 7 HG3 LYS 7 -6.418 -3.366 -9.109 7 HD2 LYS 7 HD2 LYS 7 -7.663 -1.858 -10.590 8 HD3 LYS 7 HD3 LYS 7 -6.811 -0.478 -9.897 9 HE2 LYS 7 HE2 LYS 7 -4.675 -1.460 -10.662 10 HE3 LYS 7 HE3 LYS 7 -5.577 -2.771 -11.419 11 HZ1 LYS 7 HZ1 LYS 7 -6.719 -1.082 -12.786 12 HZ2 LYS 7 HZ2 LYS 7 -5.718 0.114 -12.118 13 HZ3 LYS 7 HZ3 LYS 7 -5.043 -1.128 -13.058 No H/Q in entry = 13 In of MODEL 3 1 H ILE 8 H ILE 8 -4.975 -3.462 -6.851 2 HA ILE 8 HA ILE 8 -4.031 -1.944 -4.527 3 HB ILE 8 HB ILE 8 -2.260 -3.779 -6.086 4 HG12 ILE 8 HG12 ILE 8 -4.245 -5.128 -5.796 5 HG13 ILE 8 HG13 ILE 8 -3.016 -5.671 -4.666 6 HG21 ILE 8 HG21 ILE 8 -2.498 -3.093 -3.158 7 HG22 ILE 8 HG22 ILE 8 -1.297 -4.176 -3.858 8 HG23 ILE 8 HG23 ILE 8 -1.298 -2.466 -4.288 9 HD11 ILE 8 HD11 ILE 8 -4.125 -4.435 -2.881 10 HD12 ILE 8 HD12 ILE 8 -5.370 -3.925 -4.020 11 HD13 ILE 8 HD13 ILE 8 -5.184 -5.635 -3.624 No H/Q in entry = 11 In of MODEL 3 1 H GLN 9 H GLN 9 -3.039 -0.056 -4.826 2 HA GLN 9 HA GLN 9 -1.213 0.130 -7.115 3 HB2 GLN 9 HB2 GLN 9 -3.014 2.295 -6.035 4 HB3 GLN 9 HB3 GLN 9 -1.632 2.629 -7.086 5 HG2 GLN 9 HG2 GLN 9 -2.689 1.082 -8.763 6 HG3 GLN 9 HG3 GLN 9 -4.122 1.070 -7.736 7 HE21 GLN 9 HE21 GLN 9 -5.341 2.951 -7.527 8 HE22 GLN 9 HE22 GLN 9 -5.193 4.276 -8.638 No H/Q in entry = 8 In of MODEL 3 1 H VAL 10 H VAL 10 0.796 0.251 -6.432 2 HA VAL 10 HA VAL 10 1.383 1.673 -3.939 3 HB VAL 10 HB VAL 10 1.455 -0.535 -3.122 4 HG11 VAL 10 HG11 VAL 10 1.269 -1.649 -5.311 5 HG12 VAL 10 HG12 VAL 10 2.997 -1.395 -5.561 6 HG13 VAL 10 HG13 VAL 10 2.437 -2.422 -4.238 7 HG21 VAL 10 HG21 VAL 10 4.272 0.121 -3.989 8 HG22 VAL 10 HG22 VAL 10 3.473 0.680 -2.520 9 HG23 VAL 10 HG23 VAL 10 3.832 -1.034 -2.732 No H/Q in entry = 9 In of MODEL 3 1 H TYR 11 H TYR 11 3.028 3.000 -4.052 2 HA TYR 11 HA TYR 11 5.243 2.670 -5.804 3 HB2 TYR 11 HB2 TYR 11 4.846 4.696 -7.192 4 HB3 TYR 11 HB3 TYR 11 3.673 3.430 -7.506 5 HD1 TYR 11 HD1 TYR 11 4.184 6.782 -6.103 6 HD2 TYR 11 HD2 TYR 11 1.337 3.732 -6.948 7 HE1 TYR 11 HE1 TYR 11 2.360 8.400 -5.778 8 HE2 TYR 11 HE2 TYR 11 -0.492 5.341 -6.619 9 HH TYR 11 HH TYR 11 -0.010 8.672 -6.509 No H/Q in entry = 9 In of MODEL 3 1 H SER 12 H SER 12 6.624 4.781 -5.694 2 HA SER 12 HA SER 12 6.754 5.367 -2.851 3 HB2 SER 12 HB2 SER 12 8.792 4.769 -4.180 4 HB3 SER 12 HB3 SER 12 8.605 6.282 -5.057 5 HG SER 12 HG SER 12 9.868 5.918 -2.791 No H/Q in entry = 5 In of MODEL 3 1 H ARG 13 H ARG 13 6.387 7.290 -1.898 2 HA ARG 13 HA ARG 13 4.615 9.059 -3.265 3 HB2 ARG 13 HB2 ARG 13 4.657 8.534 -0.752 4 HB3 ARG 13 HB3 ARG 13 6.040 9.604 -0.634 5 HG2 ARG 13 HG2 ARG 13 3.347 10.537 -1.634 6 HG3 ARG 13 HG3 ARG 13 3.827 10.562 0.055 7 HD2 ARG 13 HD2 ARG 13 5.344 11.934 -2.153 8 HD3 ARG 13 HD3 ARG 13 4.157 12.720 -1.120 9 HE ARG 13 HE ARG 13 6.706 11.584 -0.182 10 HH11 ARG 13 HH11 ARG 13 4.064 13.864 0.113 11 HH12 ARG 13 HH12 ARG 13 4.777 14.709 1.463 12 HH21 ARG 13 HH21 ARG 13 7.632 12.677 1.603 13 HH22 ARG 13 HH22 ARG 13 6.781 13.998 2.341 No H/Q in entry = 13 In of MODEL 3 1 H HIS 14 H HIS 14 7.981 9.389 -2.223 2 HA HIS 14 HA HIS 14 8.253 11.655 -4.066 3 HB2 HIS 14 HB2 HIS 14 9.447 11.036 -1.415 4 HB3 HIS 14 HB3 HIS 14 10.514 11.815 -2.581 5 HD2 HIS 14 HD2 HIS 14 7.435 13.487 -3.491 6 HE1 HIS 14 HE1 HIS 14 8.681 15.522 0.004 7 HE2 HIS 14 HE2 HIS 14 7.046 15.523 -1.926 No H/Q in entry = 7 In of MODEL 3 1 HA PRO 15 HA PRO 15 11.403 9.544 -6.551 2 HB2 PRO 15 HB2 PRO 15 13.894 10.490 -5.669 3 HB3 PRO 15 HB3 PRO 15 12.919 11.173 -6.984 4 HG2 PRO 15 HG2 PRO 15 13.165 12.088 -4.125 5 HG3 PRO 15 HG3 PRO 15 12.921 13.050 -5.619 6 HD2 PRO 15 HD2 PRO 15 10.903 12.574 -3.893 7 HD3 PRO 15 HD3 PRO 15 10.632 12.642 -5.660 No H/Q in entry = 7 In of MODEL 3 1 H ALA 16 H ALA 16 12.368 7.586 -6.460 2 HA ALA 16 HA ALA 16 12.785 6.396 -3.838 3 HB1 ALA 16 HB1 ALA 16 11.476 5.170 -5.504 4 HB2 ALA 16 HB2 ALA 16 12.870 5.136 -6.587 5 HB3 ALA 16 HB3 ALA 16 12.927 4.277 -5.046 No H/Q in entry = 5 In of MODEL 3 1 H GLU 17 H GLU 17 14.767 6.619 -2.937 2 HA GLU 17 HA GLU 17 17.082 6.386 -4.715 3 HB2 GLU 17 HB2 GLU 17 16.660 8.682 -3.766 4 HB3 GLU 17 HB3 GLU 17 16.901 8.009 -2.159 5 HG2 GLU 17 HG2 GLU 17 19.201 7.499 -2.661 6 HG3 GLU 17 HG3 GLU 17 18.962 7.973 -4.338 No H/Q in entry = 6 In of MODEL 3 1 H ASN 18 H ASN 18 18.440 4.774 -4.243 2 HA ASN 18 HA ASN 18 17.991 3.128 -1.913 3 HB2 ASN 18 HB2 ASN 18 18.476 1.815 -3.759 4 HB3 ASN 18 HB3 ASN 18 19.736 2.904 -4.346 5 HD21 ASN 18 HD21 ASN 18 21.322 1.379 -4.560 6 HD22 ASN 18 HD22 ASN 18 22.023 0.538 -3.217 No H/Q in entry = 6 In of MODEL 3 1 H GLY 19 H GLY 19 19.069 3.073 -0.105 2 HA2 GLY 19 HA2 GLY 19 21.700 4.298 0.187 3 HA3 GLY 19 HA3 GLY 19 20.806 3.411 1.433 No H/Q in entry = 3 In of MODEL 3 1 H LYS 20 H LYS 20 18.411 5.031 0.639 2 HA LYS 20 HA LYS 20 19.002 7.473 2.130 3 HB2 LYS 20 HB2 LYS 20 19.314 7.837 -0.328 4 HB3 LYS 20 HB3 LYS 20 17.636 7.389 -0.556 5 HG2 LYS 20 HG2 LYS 20 17.840 9.767 -0.586 6 HG3 LYS 20 HG3 LYS 20 16.942 9.288 0.836 7 HD2 LYS 20 HD2 LYS 20 18.775 9.726 2.211 8 HD3 LYS 20 HD3 LYS 20 19.888 9.854 0.869 9 HE2 LYS 20 HE2 LYS 20 17.642 11.764 1.538 10 HE3 LYS 20 HE3 LYS 20 19.370 12.068 1.740 11 HZ1 LYS 20 HZ1 LYS 20 17.992 11.593 -0.853 12 HZ2 LYS 20 HZ2 LYS 20 18.510 13.098 -0.270 13 HZ3 LYS 20 HZ3 LYS 20 19.648 11.899 -0.654 No H/Q in entry = 13 In of MODEL 3 1 H SER 21 H SER 21 17.192 8.411 3.066 2 HA SER 21 HA SER 21 15.100 6.611 3.716 3 HB2 SER 21 HB2 SER 21 15.365 9.568 4.229 4 HB3 SER 21 HB3 SER 21 14.252 8.464 5.043 5 HG SER 21 HG SER 21 15.920 7.528 6.091 No H/Q in entry = 5 In of MODEL 3 1 H ASN 22 H ASN 22 13.096 6.478 2.942 2 HA ASN 22 HA ASN 22 12.213 8.340 0.842 3 HB2 ASN 22 HB2 ASN 22 13.466 6.229 -0.081 4 HB3 ASN 22 HB3 ASN 22 12.092 5.325 0.521 5 HD21 ASN 22 HD21 ASN 22 11.614 8.525 -0.844 6 HD22 ASN 22 HD22 ASN 22 10.877 7.953 -2.306 No H/Q in entry = 6 In of MODEL 3 1 H PHE 23 H PHE 23 9.820 7.834 0.304 2 HA PHE 23 HA PHE 23 8.474 6.887 2.744 3 HB2 PHE 23 HB2 PHE 23 7.829 9.295 1.038 4 HB3 PHE 23 HB3 PHE 23 6.678 8.591 2.165 5 HD1 PHE 23 HD1 PHE 23 6.547 9.452 4.275 6 HD2 PHE 23 HD2 PHE 23 10.179 9.909 2.101 7 HE1 PHE 23 HE1 PHE 23 7.452 10.845 6.089 8 HE2 PHE 23 HE2 PHE 23 11.093 11.295 3.919 9 HZ PHE 23 HZ PHE 23 9.729 11.754 5.918 No H/Q in entry = 9 In of MODEL 3 1 H LEU 24 H LEU 24 7.346 5.112 2.297 2 HA LEU 24 HA LEU 24 6.682 4.382 -0.408 3 HB2 LEU 24 HB2 LEU 24 6.972 3.056 2.037 4 HB3 LEU 24 HB3 LEU 24 5.286 2.854 1.613 5 HG LEU 24 HG LEU 24 7.684 1.992 -0.036 6 HD11 LEU 24 HD11 LEU 24 7.197 0.575 1.905 7 HD12 LEU 24 HD12 LEU 24 5.531 0.401 1.354 8 HD13 LEU 24 HD13 LEU 24 6.850 -0.259 0.389 9 HD21 LEU 24 HD21 LEU 24 4.740 1.784 -0.668 10 HD22 LEU 24 HD22 LEU 24 5.949 2.716 -1.553 11 HD23 LEU 24 HD23 LEU 24 6.028 0.954 -1.541 No H/Q in entry = 11 In of MODEL 3 1 H ASN 25 H ASN 25 4.533 3.927 -1.121 2 HA ASN 25 HA ASN 25 2.386 5.121 0.435 3 HB2 ASN 25 HB2 ASN 25 2.973 6.985 -0.938 4 HB3 ASN 25 HB3 ASN 25 3.166 5.971 -2.363 5 HD21 ASN 25 HD21 ASN 25 1.374 5.353 -3.516 6 HD22 ASN 25 HD22 ASN 25 -0.183 6.057 -3.266 No H/Q in entry = 6 In of MODEL 3 1 H CYS 26 H CYS 26 0.688 3.807 0.463 2 HA CYS 26 HA CYS 26 0.320 1.912 -1.756 3 HB2 CYS 26 HB2 CYS 26 1.310 0.997 0.483 4 HB3 CYS 26 HB3 CYS 26 -0.351 1.151 1.067 No H/Q in entry = 4 In of MODEL 3 1 H TYR 27 H TYR 27 -1.603 2.113 -2.657 2 HA TYR 27 HA TYR 27 -3.717 3.523 -1.160 3 HB2 TYR 27 HB2 TYR 27 -2.546 4.029 -3.808 4 HB3 TYR 27 HB3 TYR 27 -4.301 3.963 -3.812 5 HD1 TYR 27 HD1 TYR 27 -1.387 5.912 -2.955 6 HD2 TYR 27 HD2 TYR 27 -5.582 5.578 -2.372 7 HE1 TYR 27 HE1 TYR 27 -1.474 8.268 -2.268 8 HE2 TYR 27 HE2 TYR 27 -5.683 7.932 -1.682 9 HH TYR 27 HH TYR 27 -4.148 9.636 -0.730 No H/Q in entry = 9 In of MODEL 3 1 H VAL 28 H VAL 28 -5.141 1.985 -0.638 2 HA VAL 28 HA VAL 28 -6.026 0.197 -2.805 3 HB VAL 28 HB VAL 28 -6.609 -0.391 0.079 4 HG11 VAL 28 HG11 VAL 28 -6.281 -2.074 -2.396 5 HG12 VAL 28 HG12 VAL 28 -6.607 -2.711 -0.784 6 HG13 VAL 28 HG13 VAL 28 -7.792 -1.675 -1.577 7 HG21 VAL 28 HG21 VAL 28 -4.041 -1.031 -1.362 8 HG22 VAL 28 HG22 VAL 28 -4.238 -0.138 0.149 9 HG23 VAL 28 HG23 VAL 28 -4.585 -1.867 0.095 No H/Q in entry = 9 In of MODEL 3 1 H SER 29 H SER 29 -7.825 0.998 -3.659 2 HA SER 29 HA SER 29 -10.004 1.788 -1.915 3 HB2 SER 29 HB2 SER 29 -8.601 3.843 -2.285 4 HB3 SER 29 HB3 SER 29 -8.989 3.728 -3.999 5 HG SER 29 HG SER 29 -10.724 4.238 -1.820 No H/Q in entry = 5 In of MODEL 3 1 H GLY 30 H GLY 30 -11.823 2.744 -3.525 2 HA2 GLY 30 HA2 GLY 30 -12.012 1.107 -5.925 3 HA3 GLY 30 HA3 GLY 30 -13.163 2.333 -5.397 No H/Q in entry = 3 In of MODEL 3 1 H PHE 31 H PHE 31 -12.962 1.044 -2.645 2 HA PHE 31 HA PHE 31 -14.615 -1.321 -3.201 3 HB2 PHE 31 HB2 PHE 31 -13.614 -2.426 -1.291 4 HB3 PHE 31 HB3 PHE 31 -12.327 -1.862 -2.375 5 HD1 PHE 31 HD1 PHE 31 -10.880 -0.036 -1.756 6 HD2 PHE 31 HD2 PHE 31 -13.936 -1.373 0.879 7 HE1 PHE 31 HE1 PHE 31 -9.849 1.232 0.079 8 HE2 PHE 31 HE2 PHE 31 -12.904 -0.117 2.721 9 HZ PHE 31 HZ PHE 31 -10.863 1.192 2.320 No H/Q in entry = 9 In of MODEL 3 1 H HIS 32 H HIS 32 -15.530 -2.024 -0.897 2 HA HIS 32 HA HIS 32 -16.514 0.152 0.734 3 HB2 HIS 32 HB2 HIS 32 -18.527 -1.652 -0.709 4 HB3 HIS 32 HB3 HIS 32 -18.900 -0.508 0.566 5 HD2 HIS 32 HD2 HIS 32 -18.379 -0.610 -3.239 6 HE1 HIS 32 HE1 HIS 32 -19.087 3.397 -2.083 7 HE2 HIS 32 HE2 HIS 32 -19.156 1.748 -4.002 No H/Q in entry = 7 In of MODEL 3 1 HA PRO 33 HA PRO 33 -18.919 -0.443 2.319 2 HB2 PRO 33 HB2 PRO 33 -17.913 -0.574 5.107 3 HB3 PRO 33 HB3 PRO 33 -19.571 -0.638 4.500 4 HG2 PRO 33 HG2 PRO 33 -18.362 -2.841 5.387 5 HG3 PRO 33 HG3 PRO 33 -19.429 -2.894 3.972 6 HD2 PRO 33 HD2 PRO 33 -16.438 -2.900 4.092 7 HD3 PRO 33 HD3 PRO 33 -17.526 -3.826 3.029 No H/Q in entry = 7 In of MODEL 3 1 H SER 34 H SER 34 -16.054 0.074 4.576 2 HA SER 34 HA SER 34 -15.314 2.407 3.062 3 HB2 SER 34 HB2 SER 34 -16.409 2.633 5.883 4 HB3 SER 34 HB3 SER 34 -15.575 3.925 5.021 5 HG SER 34 HG SER 34 -17.550 2.993 3.481 No H/Q in entry = 5 In of MODEL 3 1 H ASP 35 H ASP 35 -14.350 -0.218 4.181 2 HA ASP 35 HA ASP 35 -11.874 0.723 5.357 3 HB2 ASP 35 HB2 ASP 35 -12.899 0.632 7.419 4 HB3 ASP 35 HB3 ASP 35 -13.909 -0.745 6.982 No H/Q in entry = 4 In of MODEL 3 1 H ILE 36 H ILE 36 -10.199 -0.542 4.995 2 HA ILE 36 HA ILE 36 -10.514 -3.385 4.409 3 HB ILE 36 HB ILE 36 -10.435 -2.074 2.175 4 HG12 ILE 36 HG12 ILE 36 -8.646 -4.332 2.994 5 HG13 ILE 36 HG13 ILE 36 -10.049 -4.355 1.931 6 HG21 ILE 36 HG21 ILE 36 -7.589 -1.721 3.111 7 HG22 ILE 36 HG22 ILE 36 -8.130 -1.461 1.452 8 HG23 ILE 36 HG23 ILE 36 -8.740 -0.436 2.748 9 HD11 ILE 36 HD11 ILE 36 -7.387 -3.143 1.218 10 HD12 ILE 36 HD12 ILE 36 -7.902 -4.767 0.770 11 HD13 ILE 36 HD13 ILE 36 -8.771 -3.364 0.146 No H/Q in entry = 11 In of MODEL 3 1 H GLU 37 H GLU 37 -8.490 -4.546 4.811 2 HA GLU 37 HA GLU 37 -6.575 -2.929 6.321 3 HB2 GLU 37 HB2 GLU 37 -7.760 -4.908 7.441 4 HB3 GLU 37 HB3 GLU 37 -6.802 -5.928 6.373 5 HG2 GLU 37 HG2 GLU 37 -5.720 -5.790 8.519 6 HG3 GLU 37 HG3 GLU 37 -4.744 -4.933 7.326 No H/Q in entry = 6 In of MODEL 3 1 H VAL 38 H VAL 38 -4.682 -2.608 5.456 2 HA VAL 38 HA VAL 38 -3.645 -4.520 3.513 3 HB VAL 38 HB VAL 38 -3.935 -3.109 1.822 4 HG11 VAL 38 HG11 VAL 38 -4.527 -0.959 3.831 5 HG12 VAL 38 HG12 VAL 38 -4.744 -0.804 2.086 6 HG13 VAL 38 HG13 VAL 38 -5.683 -1.991 2.992 7 HG21 VAL 38 HG21 VAL 38 -1.985 -1.299 3.248 8 HG22 VAL 38 HG22 VAL 38 -1.576 -2.615 2.149 9 HG23 VAL 38 HG23 VAL 38 -2.425 -1.190 1.539 No H/Q in entry = 9 In of MODEL 3 1 H ASP 39 H ASP 39 -1.565 -4.947 3.676 2 HA ASP 39 HA ASP 39 -0.049 -3.559 5.786 3 HB2 ASP 39 HB2 ASP 39 -0.033 -5.453 6.994 4 HB3 ASP 39 HB3 ASP 39 -0.972 -6.266 5.754 No H/Q in entry = 4 In of MODEL 3 1 H LEU 40 H LEU 40 2.174 -3.408 5.477 2 HA LEU 40 HA LEU 40 2.968 -3.718 2.676 3 HB2 LEU 40 HB2 LEU 40 4.446 -2.144 4.771 4 HB3 LEU 40 HB3 LEU 40 4.618 -2.047 3.030 5 HG LEU 40 HG LEU 40 2.260 -1.085 4.647 6 HD11 LEU 40 HD11 LEU 40 4.387 0.394 3.111 7 HD12 LEU 40 HD12 LEU 40 2.979 1.132 3.873 8 HD13 LEU 40 HD13 LEU 40 4.205 0.342 4.866 9 HD21 LEU 40 HD21 LEU 40 2.734 -0.987 1.676 10 HD22 LEU 40 HD22 LEU 40 1.477 -1.899 2.513 11 HD23 LEU 40 HD23 LEU 40 1.450 -0.131 2.536 No H/Q in entry = 11 In of MODEL 3 1 H LEU 41 H LEU 41 4.772 -4.854 2.106 2 HA LEU 41 HA LEU 41 5.799 -6.634 4.205 3 HB2 LEU 41 HB2 LEU 41 5.739 -7.226 1.275 4 HB3 LEU 41 HB3 LEU 41 6.050 -8.333 2.580 5 HG LEU 41 HG LEU 41 3.397 -7.011 2.075 6 HD11 LEU 41 HD11 LEU 41 3.993 -8.550 0.286 7 HD12 LEU 41 HD12 LEU 41 4.334 -9.812 1.471 8 HD13 LEU 41 HD13 LEU 41 2.689 -9.208 1.272 9 HD21 LEU 41 HD21 LEU 41 4.219 -9.215 3.963 10 HD22 LEU 41 HD22 LEU 41 3.761 -7.572 4.414 11 HD23 LEU 41 HD23 LEU 41 2.569 -8.653 3.693 No H/Q in entry = 11 In of MODEL 3 1 H LYS 42 H LYS 42 7.733 -7.804 3.309 2 HA LYS 42 HA LYS 42 9.738 -6.194 2.018 3 HB2 LYS 42 HB2 LYS 42 9.889 -6.789 4.945 4 HB3 LYS 42 HB3 LYS 42 11.362 -6.684 3.989 5 HG2 LYS 42 HG2 LYS 42 10.972 -4.430 3.443 6 HG3 LYS 42 HG3 LYS 42 9.303 -4.489 4.019 7 HD2 LYS 42 HD2 LYS 42 10.124 -4.800 6.320 8 HD3 LYS 42 HD3 LYS 42 11.790 -4.797 5.725 9 HE2 LYS 42 HE2 LYS 42 11.562 -2.505 5.001 10 HE3 LYS 42 HE3 LYS 42 9.857 -2.501 5.446 11 HZ1 LYS 42 HZ1 LYS 42 12.126 -2.839 7.338 12 HZ2 LYS 42 HZ2 LYS 42 11.237 -1.410 7.111 13 HZ3 LYS 42 HZ3 LYS 42 10.484 -2.785 7.749 No H/Q in entry = 13 In of MODEL 3 1 H ASN 43 H ASN 43 10.185 -7.692 0.546 2 HA ASN 43 HA ASN 43 10.962 -9.587 -0.426 3 HB2 ASN 43 HB2 ASN 43 11.849 -10.237 2.397 4 HB3 ASN 43 HB3 ASN 43 12.288 -11.202 0.988 5 HD21 ASN 43 HD21 ASN 43 13.781 -9.407 2.955 6 HD22 ASN 43 HD22 ASN 43 14.730 -8.369 1.945 No H/Q in entry = 6 In of MODEL 3 1 H GLY 44 H GLY 44 8.739 -9.699 2.131 2 HA2 GLY 44 HA2 GLY 44 7.799 -12.379 1.460 3 HA3 GLY 44 HA3 GLY 44 6.712 -11.021 1.124 No H/Q in entry = 3 In of MODEL 3 1 H GLU 45 H GLU 45 8.274 -9.901 3.708 2 HA GLU 45 HA GLU 45 6.577 -11.324 5.625 3 HB2 GLU 45 HB2 GLU 45 9.251 -10.020 6.052 4 HB3 GLU 45 HB3 GLU 45 8.326 -10.888 7.279 5 HG2 GLU 45 HG2 GLU 45 8.437 -12.879 5.693 6 HG3 GLU 45 HG3 GLU 45 9.666 -11.967 4.822 No H/Q in entry = 6 In of MODEL 3 1 H ARG 46 H ARG 46 5.611 -10.145 7.285 2 HA ARG 46 HA ARG 46 4.466 -7.721 6.424 3 HB2 ARG 46 HB2 ARG 46 3.289 -9.398 7.772 4 HB3 ARG 46 HB3 ARG 46 4.383 -9.102 9.108 5 HG2 ARG 46 HG2 ARG 46 3.448 -7.036 9.555 6 HG3 ARG 46 HG3 ARG 46 2.662 -6.952 7.962 7 HD2 ARG 46 HD2 ARG 46 1.832 -8.524 10.372 8 HD3 ARG 46 HD3 ARG 46 0.848 -7.629 9.216 9 HE ARG 46 HE ARG 46 2.125 -10.016 8.201 10 HH11 ARG 46 HH11 ARG 46 -0.764 -8.534 9.500 11 HH12 ARG 46 HH12 ARG 46 -1.827 -9.781 8.918 12 HH21 ARG 46 HH21 ARG 46 0.732 -11.673 7.431 13 HH22 ARG 46 HH22 ARG 46 -0.977 -11.555 7.736 No H/Q in entry = 13 In of MODEL 3 1 H ILE 47 H ILE 47 4.830 -5.643 6.920 2 HA ILE 47 HA ILE 47 7.022 -4.946 8.735 3 HB ILE 47 HB ILE 47 5.399 -3.174 6.890 4 HG12 ILE 47 HG12 ILE 47 8.232 -4.155 6.568 5 HG13 ILE 47 HG13 ILE 47 6.846 -4.851 5.731 6 HG21 ILE 47 HG21 ILE 47 7.904 -2.594 8.469 7 HG22 ILE 47 HG22 ILE 47 7.158 -1.505 7.300 8 HG23 ILE 47 HG23 ILE 47 6.297 -1.937 8.778 9 HD11 ILE 47 HD11 ILE 47 6.435 -2.698 4.649 10 HD12 ILE 47 HD12 ILE 47 7.835 -2.019 5.478 11 HD13 ILE 47 HD13 ILE 47 8.050 -3.313 4.297 No H/Q in entry = 11 In of MODEL 3 1 H GLU 48 H GLU 48 6.689 -3.756 10.571 2 HA GLU 48 HA GLU 48 3.917 -3.757 11.496 3 HB2 GLU 48 HB2 GLU 48 5.243 -3.392 13.774 4 HB3 GLU 48 HB3 GLU 48 4.966 -4.971 13.099 5 HG2 GLU 48 HG2 GLU 48 7.128 -5.191 13.480 6 HG3 GLU 48 HG3 GLU 48 7.299 -4.316 11.975 No H/Q in entry = 6 In of MODEL 3 1 H LYS 49 H LYS 49 6.731 -1.626 11.342 2 HA LYS 49 HA LYS 49 5.570 0.570 12.584 3 HB2 LYS 49 HB2 LYS 49 7.771 0.509 10.538 4 HB3 LYS 49 HB3 LYS 49 7.474 1.782 11.730 5 HG2 LYS 49 HG2 LYS 49 7.854 0.204 13.528 6 HG3 LYS 49 HG3 LYS 49 8.084 -1.080 12.372 7 HD2 LYS 49 HD2 LYS 49 9.843 1.358 12.424 8 HD3 LYS 49 HD3 LYS 49 10.181 -0.094 13.368 9 HE2 LYS 49 HE2 LYS 49 10.156 -1.432 11.305 10 HE3 LYS 49 HE3 LYS 49 9.883 0.044 10.371 11 HZ1 LYS 49 HZ1 LYS 49 11.999 0.910 11.256 12 HZ2 LYS 49 HZ2 LYS 49 12.275 -0.578 12.027 13 HZ3 LYS 49 HZ3 LYS 49 12.210 -0.500 10.335 No H/Q in entry = 13 In of MODEL 3 1 H VAL 50 H VAL 50 4.503 -0.723 9.762 2 HA VAL 50 HA VAL 50 4.010 1.494 8.128 3 HB VAL 50 HB VAL 50 2.346 -0.992 8.526 4 HG11 VAL 50 HG11 VAL 50 1.059 0.926 7.553 5 HG12 VAL 50 HG12 VAL 50 2.244 0.982 6.242 6 HG13 VAL 50 HG13 VAL 50 1.238 -0.450 6.453 7 HG21 VAL 50 HG21 VAL 50 4.431 -0.199 6.526 8 HG22 VAL 50 HG22 VAL 50 4.577 -1.439 7.769 9 HG23 VAL 50 HG23 VAL 50 3.457 -1.659 6.427 No H/Q in entry = 9 In of MODEL 3 1 H GLU 51 H GLU 51 2.393 2.955 8.012 2 HA GLU 51 HA GLU 51 0.443 2.973 10.198 3 HB2 GLU 51 HB2 GLU 51 1.133 5.010 10.996 4 HB3 GLU 51 HB3 GLU 51 2.650 4.456 10.316 5 HG2 GLU 51 HG2 GLU 51 2.464 5.727 8.435 6 HG3 GLU 51 HG3 GLU 51 0.798 6.171 8.796 No H/Q in entry = 6 In of MODEL 3 1 H HIS 52 H HIS 52 -1.426 4.004 9.791 2 HA HIS 52 HA HIS 52 -1.709 5.038 7.080 3 HB2 HIS 52 HB2 HIS 52 -4.165 4.603 7.272 4 HB3 HIS 52 HB3 HIS 52 -3.188 3.141 7.345 5 HD2 HIS 52 HD2 HIS 52 -2.801 2.297 10.182 6 HE1 HIS 52 HE1 HIS 52 -6.625 3.829 11.141 7 HE2 HIS 52 HE2 HIS 52 -4.858 2.117 11.749 No H/Q in entry = 7 In of MODEL 3 1 H SER 53 H SER 53 -2.384 7.059 6.756 2 HA SER 53 HA SER 53 -2.579 8.882 8.962 3 HB2 SER 53 HB2 SER 53 -3.235 10.474 6.981 4 HB3 SER 53 HB3 SER 53 -1.602 9.795 6.988 5 HG SER 53 HG SER 53 -3.849 8.851 5.524 No H/Q in entry = 5 In of MODEL 3 1 H ASP 54 H ASP 54 -4.588 10.631 8.392 2 HA ASP 54 HA ASP 54 -6.889 9.455 9.431 3 HB2 ASP 54 HB2 ASP 54 -6.511 11.895 9.431 4 HB3 ASP 54 HB3 ASP 54 -6.736 11.926 7.682 No H/Q in entry = 4 In of MODEL 3 1 H LEU 55 H LEU 55 -8.636 8.505 8.590 2 HA LEU 55 HA LEU 55 -8.485 6.833 6.481 3 HB2 LEU 55 HB2 LEU 55 -10.324 7.120 8.297 4 HB3 LEU 55 HB3 LEU 55 -11.130 8.108 7.102 5 HG LEU 55 HG LEU 55 -11.954 5.765 7.218 6 HD11 LEU 55 HD11 LEU 55 -12.238 7.080 5.179 7 HD12 LEU 55 HD12 LEU 55 -10.689 6.484 4.584 8 HD13 LEU 55 HD13 LEU 55 -12.028 5.363 4.834 9 HD21 LEU 55 HD21 LEU 55 -9.209 5.109 6.171 10 HD22 LEU 55 HD22 LEU 55 -9.887 4.635 7.729 11 HD23 LEU 55 HD23 LEU 55 -10.570 3.988 6.237 No H/Q in entry = 11 In of MODEL 3 1 H SER 56 H SER 56 -10.775 9.511 6.095 2 HA SER 56 HA SER 56 -9.674 10.784 3.907 3 HB2 SER 56 HB2 SER 56 -9.832 8.545 2.799 4 HB3 SER 56 HB3 SER 56 -11.580 8.599 3.022 5 HG SER 56 HG SER 56 -11.687 10.348 1.638 No H/Q in entry = 5 In of MODEL 3 1 H PHE 57 H PHE 57 -11.184 12.141 2.780 2 HA PHE 57 HA PHE 57 -13.857 12.304 3.996 3 HB2 PHE 57 HB2 PHE 57 -13.840 14.688 3.187 4 HB3 PHE 57 HB3 PHE 57 -12.650 14.350 4.438 5 HD1 PHE 57 HD1 PHE 57 -10.261 14.191 3.857 6 HD2 PHE 57 HD2 PHE 57 -13.189 15.365 1.002 7 HE1 PHE 57 HE1 PHE 57 -8.487 15.114 2.427 8 HE2 PHE 57 HE2 PHE 57 -11.418 16.284 -0.438 9 HZ PHE 57 HZ PHE 57 -9.064 16.159 0.274 No H/Q in entry = 9 In of MODEL 3 1 H SER 58 H SER 58 -15.614 12.582 2.549 2 HA SER 58 HA SER 58 -15.485 11.098 0.193 3 HB2 SER 58 HB2 SER 58 -17.523 13.205 0.951 4 HB3 SER 58 HB3 SER 58 -17.748 11.926 -0.245 5 HG SER 58 HG SER 58 -17.093 11.375 2.465 No H/Q in entry = 5 In of MODEL 3 1 H LYS 59 H LYS 59 -15.234 11.619 -1.959 2 HA LYS 59 HA LYS 59 -14.368 14.366 -2.536 3 HB2 LYS 59 HB2 LYS 59 -12.385 12.956 -2.038 4 HB3 LYS 59 HB3 LYS 59 -12.863 11.859 -3.323 5 HG2 LYS 59 HG2 LYS 59 -11.420 13.052 -4.547 6 HG3 LYS 59 HG3 LYS 59 -12.755 14.199 -4.678 7 HD2 LYS 59 HD2 LYS 59 -10.733 14.323 -2.454 8 HD3 LYS 59 HD3 LYS 59 -10.482 15.132 -3.998 9 HE2 LYS 59 HE2 LYS 59 -12.912 15.581 -2.279 10 HE3 LYS 59 HE3 LYS 59 -11.445 16.549 -2.147 11 HZ1 LYS 59 HZ1 LYS 59 -11.702 17.187 -4.466 12 HZ2 LYS 59 HZ2 LYS 59 -13.123 16.268 -4.585 13 HZ3 LYS 59 HZ3 LYS 59 -13.072 17.618 -3.563 No H/Q in entry = 13 In of MODEL 3 1 H ASP 60 H ASP 60 -14.122 11.462 -4.519 2 HA ASP 60 HA ASP 60 -16.076 12.650 -6.382 3 HB2 ASP 60 HB2 ASP 60 -13.980 10.535 -6.945 4 HB3 ASP 60 HB3 ASP 60 -15.051 11.272 -8.129 No H/Q in entry = 4 In of MODEL 3 1 H TRP 61 H TRP 61 -14.890 9.411 -5.623 2 HA TRP 61 HA TRP 61 -17.572 8.504 -4.990 3 HB2 TRP 61 HB2 TRP 61 -16.030 7.676 -7.393 4 HB3 TRP 61 HB3 TRP 61 -16.862 6.405 -6.504 5 HD1 TRP 61 HD1 TRP 61 -19.587 6.673 -6.307 6 HE1 TRP 61 HE1 TRP 61 -21.261 7.723 -7.953 7 HE3 TRP 61 HE3 TRP 61 -16.335 9.464 -9.091 8 HZ2 TRP 61 HZ2 TRP 61 -21.213 9.500 -10.139 9 HZ3 TRP 61 HZ3 TRP 61 -17.215 10.811 -10.946 10 HH2 TRP 61 HH2 TRP 61 -19.636 10.827 -11.465 No H/Q in entry = 10 In of MODEL 3 1 H SER 62 H SER 62 -17.601 6.754 -3.639 2 HA SER 62 HA SER 62 -16.903 5.229 -2.126 3 HB2 SER 62 HB2 SER 62 -14.367 5.174 -3.797 4 HB3 SER 62 HB3 SER 62 -14.826 3.967 -2.590 5 HG SER 62 HG SER 62 -15.547 4.164 -5.180 No H/Q in entry = 5 In of MODEL 3 1 H PHE 63 H PHE 63 -14.679 4.719 -0.771 2 HA PHE 63 HA PHE 63 -13.700 7.319 0.199 3 HB2 PHE 63 HB2 PHE 63 -14.098 4.831 1.888 4 HB3 PHE 63 HB3 PHE 63 -13.668 6.437 2.454 5 HD1 PHE 63 HD1 PHE 63 -15.354 8.081 2.908 6 HD2 PHE 63 HD2 PHE 63 -16.405 4.381 1.062 7 HE1 PHE 63 HE1 PHE 63 -17.746 8.550 3.328 8 HE2 PHE 63 HE2 PHE 63 -18.790 4.852 1.476 9 HZ PHE 63 HZ PHE 63 -19.452 6.935 2.603 No H/Q in entry = 9 In of MODEL 3 1 H TYR 64 H TYR 64 -11.535 7.343 0.981 2 HA TYR 64 HA TYR 64 -9.899 5.345 -0.432 3 HB2 TYR 64 HB2 TYR 64 -9.146 8.216 0.203 4 HB3 TYR 64 HB3 TYR 64 -8.334 7.121 -0.917 5 HD1 TYR 64 HD1 TYR 64 -9.467 6.513 -3.078 6 HD2 TYR 64 HD2 TYR 64 -11.017 9.505 -0.477 7 HE1 TYR 64 HE1 TYR 64 -10.880 7.367 -4.906 8 HE2 TYR 64 HE2 TYR 64 -12.429 10.365 -2.296 9 HH TYR 64 HH TYR 64 -13.044 8.642 -5.093 No H/Q in entry = 9 In of MODEL 3 1 H LEU 65 H LEU 65 -7.992 4.572 0.589 2 HA LEU 65 HA LEU 65 -7.434 5.514 3.289 3 HB2 LEU 65 HB2 LEU 65 -8.918 3.768 3.776 4 HB3 LEU 65 HB3 LEU 65 -8.256 2.731 2.529 5 HG LEU 65 HG LEU 65 -6.423 3.405 4.763 6 HD11 LEU 65 HD11 LEU 65 -8.777 3.057 5.720 7 HD12 LEU 65 HD12 LEU 65 -8.605 1.388 5.178 8 HD13 LEU 65 HD13 LEU 65 -7.479 2.054 6.358 9 HD21 LEU 65 HD21 LEU 65 -5.812 1.887 2.936 10 HD22 LEU 65 HD22 LEU 65 -5.860 1.052 4.489 11 HD23 LEU 65 HD23 LEU 65 -7.185 0.857 3.341 No H/Q in entry = 11 In of MODEL 3 1 H LEU 66 H LEU 66 -5.343 5.580 3.767 2 HA LEU 66 HA LEU 66 -3.473 4.612 1.703 3 HB2 LEU 66 HB2 LEU 66 -4.021 7.173 2.214 4 HB3 LEU 66 HB3 LEU 66 -2.823 6.928 3.450 5 HG LEU 66 HG LEU 66 -2.368 6.520 0.507 6 HD11 LEU 66 HD11 LEU 66 -1.630 8.780 2.356 7 HD12 LEU 66 HD12 LEU 66 -0.940 8.563 0.750 8 HD13 LEU 66 HD13 LEU 66 -2.670 8.851 0.938 9 HD21 LEU 66 HD21 LEU 66 -0.448 6.406 2.821 10 HD22 LEU 66 HD22 LEU 66 -0.920 5.074 1.772 11 HD23 LEU 66 HD23 LEU 66 0.022 6.417 1.122 No H/Q in entry = 11 In of MODEL 3 1 H TYR 67 H TYR 67 -1.835 3.357 2.351 2 HA TYR 67 HA TYR 67 -1.069 3.323 5.197 3 HB2 TYR 67 HB2 TYR 67 -1.720 1.065 3.389 4 HB3 TYR 67 HB3 TYR 67 -0.351 0.858 4.469 5 HD1 TYR 67 HD1 TYR 67 -0.708 1.004 6.946 6 HD2 TYR 67 HD2 TYR 67 -3.955 0.893 4.191 7 HE1 TYR 67 HE1 TYR 67 -2.214 0.279 8.753 8 HE2 TYR 67 HE2 TYR 67 -5.444 0.149 5.980 9 HH TYR 67 HH TYR 67 -5.232 -1.048 8.216 No H/Q in entry = 9 In of MODEL 3 1 H TYR 68 H TYR 68 0.955 3.907 5.531 2 HA TYR 68 HA TYR 68 2.890 3.343 3.384 3 HB2 TYR 68 HB2 TYR 68 3.803 5.633 3.477 4 HB3 TYR 68 HB3 TYR 68 2.116 5.630 2.947 5 HD1 TYR 68 HD1 TYR 68 4.278 6.183 5.918 6 HD2 TYR 68 HD2 TYR 68 0.544 6.945 4.045 7 HE1 TYR 68 HE1 TYR 68 3.733 7.802 7.683 8 HE2 TYR 68 HE2 TYR 68 -0.008 8.592 5.784 9 HH TYR 68 HH TYR 68 2.346 9.679 8.085 No H/Q in entry = 9 In of MODEL 3 1 H THR 69 H THR 69 5.157 3.850 4.077 2 HA THR 69 HA THR 69 5.615 4.004 6.934 3 HB THR 69 HB THR 69 5.290 1.573 6.592 4 HG1 THR 69 HG1 THR 69 7.129 2.677 7.944 5 HG21 THR 69 HG21 THR 69 7.632 1.833 4.706 6 HG22 THR 69 HG22 THR 69 7.022 0.302 5.334 7 HG23 THR 69 HG23 THR 69 5.996 1.303 4.305 No H/Q in entry = 7 In of MODEL 3 1 H GLU 70 H GLU 70 7.639 4.778 7.410 2 HA GLU 70 HA GLU 70 9.198 5.826 5.222 3 HB2 GLU 70 HB2 GLU 70 8.885 7.077 7.369 4 HB3 GLU 70 HB3 GLU 70 9.777 5.817 8.204 5 HG2 GLU 70 HG2 GLU 70 11.014 7.361 5.949 6 HG3 GLU 70 HG3 GLU 70 10.991 7.989 7.595 No H/Q in entry = 6 In of MODEL 3 1 H PHE 71 H PHE 71 10.974 4.926 4.365 2 HA PHE 71 HA PHE 71 12.141 2.600 5.601 3 HB2 PHE 71 HB2 PHE 71 11.734 1.079 3.756 4 HB3 PHE 71 HB3 PHE 71 10.191 1.679 4.347 5 HD1 PHE 71 HD1 PHE 71 11.019 0.409 1.620 6 HD2 PHE 71 HD2 PHE 71 10.365 4.391 2.941 7 HE1 PHE 71 HE1 PHE 71 10.428 1.058 -0.681 8 HE2 PHE 71 HE2 PHE 71 9.773 5.058 0.637 9 HZ PHE 71 HZ PHE 71 9.818 3.391 -1.184 No H/Q in entry = 9 In of MODEL 3 1 H THR 72 H THR 72 14.114 1.955 4.545 2 HA THR 72 HA THR 72 15.233 4.073 2.838 3 HB THR 72 HB THR 72 16.753 2.171 4.639 4 HG1 THR 72 HG1 THR 72 15.220 4.158 5.354 5 HG21 THR 72 HG21 THR 72 18.071 3.107 2.780 6 HG22 THR 72 HG22 THR 72 17.602 4.737 3.272 7 HG23 THR 72 HG23 THR 72 18.603 3.747 4.335 No H/Q in entry = 7 In of MODEL 3 1 HA PRO 73 HA PRO 73 14.770 0.382 0.023 2 HB2 PRO 73 HB2 PRO 73 15.475 2.074 -2.136 3 HB3 PRO 73 HB3 PRO 73 13.845 1.552 -1.695 4 HG2 PRO 73 HG2 PRO 73 15.247 4.102 -1.103 5 HG3 PRO 73 HG3 PRO 73 13.517 3.809 -1.355 6 HD2 PRO 73 HD2 PRO 73 14.527 4.265 1.103 7 HD3 PRO 73 HD3 PRO 73 13.183 3.126 0.844 No H/Q in entry = 7 In of MODEL 3 1 H THR 74 H THR 74 16.292 -0.890 -0.742 2 HA THR 74 HA THR 74 19.040 0.074 -0.914 3 HB THR 74 HB THR 74 19.855 -1.887 0.302 4 HG1 THR 74 HG1 THR 74 17.529 -2.679 1.444 5 HG21 THR 74 HG21 THR 74 17.749 -0.396 1.865 6 HG22 THR 74 HG22 THR 74 19.051 -1.355 2.566 7 HG23 THR 74 HG23 THR 74 19.427 0.099 1.641 No H/Q in entry = 7 In of MODEL 3 1 H GLU 75 H GLU 75 20.436 -1.566 -2.010 2 HA GLU 75 HA GLU 75 19.318 -2.613 -4.362 3 HB2 GLU 75 HB2 GLU 75 21.811 -2.082 -3.571 4 HB3 GLU 75 HB3 GLU 75 21.805 -3.802 -3.218 5 HG2 GLU 75 HG2 GLU 75 21.233 -2.554 -5.890 6 HG3 GLU 75 HG3 GLU 75 22.746 -3.305 -5.406 No H/Q in entry = 6 In of MODEL 3 1 H LYS 76 H LYS 76 20.210 -4.155 -1.303 2 HA LYS 76 HA LYS 76 19.842 -6.792 -2.244 3 HB2 LYS 76 HB2 LYS 76 20.223 -5.667 0.519 4 HB3 LYS 76 HB3 LYS 76 20.191 -7.385 0.158 5 HG2 LYS 76 HG2 LYS 76 22.336 -7.357 -0.420 6 HG3 LYS 76 HG3 LYS 76 22.068 -6.037 -1.558 7 HD2 LYS 76 HD2 LYS 76 23.706 -5.410 0.126 8 HD3 LYS 76 HD3 LYS 76 22.250 -4.423 0.265 9 HE2 LYS 76 HE2 LYS 76 22.965 -5.067 2.480 10 HE3 LYS 76 HE3 LYS 76 21.469 -5.916 2.094 11 HZ1 LYS 76 HZ1 LYS 76 24.200 -7.077 1.918 12 HZ2 LYS 76 HZ2 LYS 76 23.084 -7.368 3.158 13 HZ3 LYS 76 HZ3 LYS 76 22.756 -7.896 1.582 No H/Q in entry = 13 In of MODEL 3 1 H ASP 77 H ASP 77 17.734 -4.597 -0.371 2 HA ASP 77 HA ASP 77 16.064 -6.937 0.277 3 HB2 ASP 77 HB2 ASP 77 16.861 -4.805 1.855 4 HB3 ASP 77 HB3 ASP 77 15.191 -4.417 1.440 No H/Q in entry = 4 In of MODEL 3 1 H GLU 78 H GLU 78 13.565 -5.905 0.609 2 HA GLU 78 HA GLU 78 12.730 -4.472 -1.746 3 HB2 GLU 78 HB2 GLU 78 13.271 -6.766 -2.624 4 HB3 GLU 78 HB3 GLU 78 12.010 -7.411 -1.586 5 HG2 GLU 78 HG2 GLU 78 11.014 -7.209 -3.695 6 HG3 GLU 78 HG3 GLU 78 10.435 -5.791 -2.815 No H/Q in entry = 6 In of MODEL 3 1 H TYR 79 H TYR 79 10.466 -4.024 -1.713 2 HA TYR 79 HA TYR 79 9.092 -4.777 0.753 3 HB2 TYR 79 HB2 TYR 79 8.825 -2.049 -0.517 4 HB3 TYR 79 HB3 TYR 79 8.311 -2.560 1.091 5 HD1 TYR 79 HD1 TYR 79 11.360 -1.924 -0.967 6 HD2 TYR 79 HD2 TYR 79 9.701 -2.300 2.930 7 HE1 TYR 79 HE1 TYR 79 13.474 -1.128 0.002 8 HE2 TYR 79 HE2 TYR 79 11.808 -1.504 3.908 9 HH TYR 79 HH TYR 79 14.283 -0.077 2.071 No H/Q in entry = 9 In of MODEL 3 1 H ALA 80 H ALA 80 6.781 -4.772 0.657 2 HA ALA 80 HA ALA 80 5.623 -4.789 -2.044 3 HB1 ALA 80 HB1 ALA 80 4.833 -6.969 -2.005 4 HB2 ALA 80 HB2 ALA 80 6.475 -7.116 -1.382 5 HB3 ALA 80 HB3 ALA 80 5.103 -7.144 -0.273 No H/Q in entry = 5 In of MODEL 3 1 H CYS 81 H CYS 81 3.216 -4.973 -2.022 2 HA CYS 81 HA CYS 81 2.075 -3.944 0.493 3 HB2 CYS 81 HB2 CYS 81 1.630 -3.235 -2.362 4 HB3 CYS 81 HB3 CYS 81 0.212 -3.265 -1.317 No H/Q in entry = 4 In of MODEL 3 1 H ARG 82 H ARG 82 0.497 -5.116 1.415 2 HA ARG 82 HA ARG 82 -0.767 -7.311 -0.120 3 HB2 ARG 82 HB2 ARG 82 0.754 -7.959 1.826 4 HB3 ARG 82 HB3 ARG 82 -0.408 -7.146 2.869 5 HG2 ARG 82 HG2 ARG 82 -2.156 -8.712 1.927 6 HG3 ARG 82 HG3 ARG 82 -0.812 -9.630 1.242 7 HD2 ARG 82 HD2 ARG 82 -1.245 -9.005 4.165 8 HD3 ARG 82 HD3 ARG 82 -1.472 -10.570 3.393 9 HE ARG 82 HE ARG 82 1.103 -9.225 3.831 10 HH11 ARG 82 HH11 ARG 82 -0.819 -12.096 3.256 11 HH12 ARG 82 HH12 ARG 82 0.541 -13.185 3.292 12 HH21 ARG 82 HH21 ARG 82 2.899 -10.654 3.905 13 HH22 ARG 82 HH22 ARG 82 2.665 -12.361 3.660 No H/Q in entry = 13 In of MODEL 3 1 H VAL 83 H VAL 83 -3.021 -7.354 -0.090 2 HA VAL 83 HA VAL 83 -4.338 -5.733 1.975 3 HB VAL 83 HB VAL 83 -5.846 -4.673 0.606 4 HG11 VAL 83 HG11 VAL 83 -3.323 -4.843 -0.984 5 HG12 VAL 83 HG12 VAL 83 -4.590 -3.639 -1.221 6 HG13 VAL 83 HG13 VAL 83 -3.705 -3.705 0.306 7 HG21 VAL 83 HG21 VAL 83 -5.170 -6.609 -1.597 8 HG22 VAL 83 HG22 VAL 83 -6.655 -6.568 -0.646 9 HG23 VAL 83 HG23 VAL 83 -6.275 -5.243 -1.746 No H/Q in entry = 9 In of MODEL 3 1 H ASN 84 H ASN 84 -6.162 -6.528 2.785 2 HA ASN 84 HA ASN 84 -7.010 -9.170 1.824 3 HB2 ASN 84 HB2 ASN 84 -7.190 -8.116 4.665 4 HB3 ASN 84 HB3 ASN 84 -7.531 -9.753 4.134 5 HD21 ASN 84 HD21 ASN 84 -4.967 -7.379 4.517 6 HD22 ASN 84 HD22 ASN 84 -3.683 -8.522 4.705 No H/Q in entry = 6 In of MODEL 3 1 H HIS 85 H HIS 85 -9.015 -9.063 0.864 2 HA HIS 85 HA HIS 85 -11.120 -7.825 2.444 3 HB2 HIS 85 HB2 HIS 85 -10.259 -6.347 0.431 4 HB3 HIS 85 HB3 HIS 85 -11.185 -7.491 -0.536 5 HD2 HIS 85 HD2 HIS 85 -11.882 -4.966 2.425 6 HE1 HIS 85 HE1 HIS 85 -15.375 -5.536 0.097 7 HE2 HIS 85 HE2 HIS 85 -14.273 -4.106 1.870 No H/Q in entry = 7 In of MODEL 3 1 H VAL 86 H VAL 86 -13.249 -8.680 1.777 2 HA VAL 86 HA VAL 86 -13.098 -11.498 1.576 3 HB VAL 86 HB VAL 86 -15.539 -11.489 1.557 4 HG11 VAL 86 HG11 VAL 86 -14.357 -9.480 3.468 5 HG12 VAL 86 HG12 VAL 86 -15.914 -10.285 3.668 6 HG13 VAL 86 HG13 VAL 86 -14.424 -11.229 3.689 7 HG21 VAL 86 HG21 VAL 86 -15.883 -9.581 0.053 8 HG22 VAL 86 HG22 VAL 86 -16.817 -9.419 1.540 9 HG23 VAL 86 HG23 VAL 86 -15.338 -8.486 1.323 No H/Q in entry = 9 In of MODEL 3 1 H THR 87 H THR 87 -13.378 -9.001 -0.783 2 HA THR 87 HA THR 87 -14.722 -10.436 -2.800 3 HB THR 87 HB THR 87 -13.945 -8.609 -4.257 4 HG1 THR 87 HG1 THR 87 -12.747 -7.109 -2.355 5 HG21 THR 87 HG21 THR 87 -14.811 -7.676 -1.537 6 HG22 THR 87 HG22 THR 87 -14.895 -6.732 -3.026 7 HG23 THR 87 HG23 THR 87 -15.867 -8.202 -2.851 No H/Q in entry = 7 In of MODEL 3 1 H LEU 88 H LEU 88 -11.330 -9.752 -2.180 2 HA LEU 88 HA LEU 88 -10.341 -10.953 -4.530 3 HB2 LEU 88 HB2 LEU 88 -8.977 -10.389 -1.897 4 HB3 LEU 88 HB3 LEU 88 -8.136 -10.967 -3.322 5 HG LEU 88 HG LEU 88 -9.544 -8.323 -2.985 6 HD11 LEU 88 HD11 LEU 88 -6.656 -9.044 -3.504 7 HD12 LEU 88 HD12 LEU 88 -7.312 -7.401 -3.443 8 HD13 LEU 88 HD13 LEU 88 -7.325 -8.417 -1.988 9 HD21 LEU 88 HD21 LEU 88 -8.326 -9.546 -5.456 10 HD22 LEU 88 HD22 LEU 88 -10.025 -9.141 -5.204 11 HD23 LEU 88 HD23 LEU 88 -8.815 -7.859 -5.303 No H/Q in entry = 11 In of MODEL 3 1 H SER 89 H SER 89 -11.307 -12.195 -1.481 2 HA SER 89 HA SER 89 -11.590 -14.238 -0.599 3 HB2 SER 89 HB2 SER 89 -12.033 -16.110 -2.012 4 HB3 SER 89 HB3 SER 89 -12.606 -14.686 -2.867 5 HG SER 89 HG SER 89 -10.316 -14.805 -3.818 No H/Q in entry = 5 In of MODEL 3 1 H GLN 90 H GLN 90 -8.721 -13.453 -2.198 2 HA GLN 90 HA GLN 90 -7.139 -14.989 -0.320 3 HB2 GLN 90 HB2 GLN 90 -6.328 -14.915 -3.225 4 HB3 GLN 90 HB3 GLN 90 -5.727 -15.966 -1.954 5 HG2 GLN 90 HG2 GLN 90 -7.657 -17.314 -2.015 6 HG3 GLN 90 HG3 GLN 90 -8.533 -16.139 -3.004 7 HE21 GLN 90 HE21 GLN 90 -8.994 -17.624 -4.583 8 HE22 GLN 90 HE22 GLN 90 -7.797 -18.259 -5.658 No H/Q in entry = 8 In of MODEL 3 1 HA PRO 91 HA PRO 91 -5.912 -10.652 -0.099 2 HB2 PRO 91 HB2 PRO 91 -3.459 -11.969 1.018 3 HB3 PRO 91 HB3 PRO 91 -4.350 -10.542 1.592 4 HG2 PRO 91 HG2 PRO 91 -4.714 -12.839 2.817 5 HG3 PRO 91 HG3 PRO 91 -6.119 -11.812 2.420 6 HD2 PRO 91 HD2 PRO 91 -5.132 -14.317 1.056 7 HD3 PRO 91 HD3 PRO 91 -6.816 -13.802 1.386 No H/Q in entry = 7 In of MODEL 3 1 H LYS 92 H LYS 92 -4.397 -9.244 -1.011 2 HA LYS 92 HA LYS 92 -3.200 -10.441 -3.412 3 HB2 LYS 92 HB2 LYS 92 -5.161 -8.955 -3.799 4 HB3 LYS 92 HB3 LYS 92 -4.255 -7.635 -3.071 5 HG2 LYS 92 HG2 LYS 92 -4.077 -7.457 -5.445 6 HG3 LYS 92 HG3 LYS 92 -2.509 -7.960 -4.793 7 HD2 LYS 92 HD2 LYS 92 -2.892 -9.324 -6.679 8 HD3 LYS 92 HD3 LYS 92 -3.212 -10.323 -5.255 9 HE2 LYS 92 HE2 LYS 92 -5.594 -10.006 -5.526 10 HE3 LYS 92 HE3 LYS 92 -5.326 -8.902 -6.873 11 HZ1 LYS 92 HZ1 LYS 92 -4.318 -10.746 -8.104 12 HZ2 LYS 92 HZ2 LYS 92 -4.669 -11.800 -6.820 13 HZ3 LYS 92 HZ3 LYS 92 -5.929 -11.066 -7.686 No H/Q in entry = 13 In of MODEL 3 1 H ILE 93 H ILE 93 -1.065 -10.209 -3.652 2 HA ILE 93 HA ILE 93 0.254 -8.045 -2.150 3 HB ILE 93 HB ILE 93 1.422 -10.669 -3.059 4 HG12 ILE 93 HG12 ILE 93 1.955 -10.817 -0.539 5 HG13 ILE 93 HG13 ILE 93 0.773 -9.536 -0.342 6 HG21 ILE 93 HG21 ILE 93 3.021 -8.846 -3.378 7 HG22 ILE 93 HG22 ILE 93 2.820 -8.387 -1.685 8 HG23 ILE 93 HG23 ILE 93 3.531 -9.950 -2.095 9 HD11 ILE 93 HD11 ILE 93 0.253 -12.251 -1.522 10 HD12 ILE 93 HD12 ILE 93 -0.180 -11.719 0.103 11 HD13 ILE 93 HD13 ILE 93 -0.940 -10.972 -1.302 No H/Q in entry = 11 In of MODEL 3 1 H VAL 94 H VAL 94 1.170 -6.514 -3.257 2 HA VAL 94 HA VAL 94 2.113 -7.055 -5.987 3 HB VAL 94 HB VAL 94 0.831 -4.489 -5.007 4 HG11 VAL 94 HG11 VAL 94 2.001 -5.170 -7.704 5 HG12 VAL 94 HG12 VAL 94 1.113 -3.696 -7.314 6 HG13 VAL 94 HG13 VAL 94 2.663 -4.023 -6.539 7 HG21 VAL 94 HG21 VAL 94 -0.094 -6.497 -7.060 8 HG22 VAL 94 HG22 VAL 94 -0.809 -6.225 -5.471 9 HG23 VAL 94 HG23 VAL 94 -0.882 -4.961 -6.698 No H/Q in entry = 9 In of MODEL 3 1 H LYS 95 H LYS 95 4.188 -6.538 -6.291 2 HA LYS 95 HA LYS 95 5.702 -5.756 -3.955 3 HB2 LYS 95 HB2 LYS 95 7.444 -6.787 -4.955 4 HB3 LYS 95 HB3 LYS 95 6.253 -7.390 -6.094 5 HG2 LYS 95 HG2 LYS 95 6.767 -5.671 -7.670 6 HG3 LYS 95 HG3 LYS 95 7.778 -4.828 -6.499 7 HD2 LYS 95 HD2 LYS 95 8.780 -7.446 -6.664 8 HD3 LYS 95 HD3 LYS 95 8.476 -6.932 -8.324 9 HE2 LYS 95 HE2 LYS 95 10.236 -5.604 -6.265 10 HE3 LYS 95 HE3 LYS 95 10.715 -6.326 -7.795 11 HZ1 LYS 95 HZ1 LYS 95 9.011 -3.910 -7.531 12 HZ2 LYS 95 HZ2 LYS 95 10.669 -3.893 -7.854 13 HZ3 LYS 95 HZ3 LYS 95 9.597 -4.570 -8.980 No H/Q in entry = 13 In of MODEL 3 1 H TRP 96 H TRP 96 7.041 -3.896 -3.815 2 HA TRP 96 HA TRP 96 5.953 -1.610 -5.156 3 HB2 TRP 96 HB2 TRP 96 6.714 -1.316 -2.877 4 HB3 TRP 96 HB3 TRP 96 8.345 -1.866 -3.288 5 HD1 TRP 96 HD1 TRP 96 5.933 1.007 -4.274 6 HE1 TRP 96 HE1 TRP 96 7.341 3.087 -4.790 7 HE3 TRP 96 HE3 TRP 96 10.585 -0.990 -3.603 8 HZ2 TRP 96 HZ2 TRP 96 10.066 3.798 -4.892 9 HZ3 TRP 96 HZ3 TRP 96 12.548 0.452 -3.923 10 HH2 TRP 96 HH2 TRP 96 12.290 2.817 -4.557 No H/Q in entry = 10 In of MODEL 3 1 H ASP 97 H ASP 97 6.484 -0.946 -7.071 2 HA ASP 97 HA ASP 97 9.095 -1.693 -8.191 3 HB2 ASP 97 HB2 ASP 97 8.061 -1.646 -10.360 4 HB3 ASP 97 HB3 ASP 97 6.949 -2.484 -9.295 No H/Q in entry = 4 In of MODEL 3 1 H ARG 98 H ARG 98 9.569 0.016 -10.010 2 HA ARG 98 HA ARG 98 9.234 2.722 -9.262 3 HB2 ARG 98 HB2 ARG 98 11.541 3.206 -8.876 4 HB3 ARG 98 HB3 ARG 98 11.096 1.909 -7.794 5 HG2 ARG 98 HG2 ARG 98 12.861 0.816 -8.514 6 HG3 ARG 98 HG3 ARG 98 12.038 0.630 -10.063 7 HD2 ARG 98 HD2 ARG 98 14.294 1.583 -10.338 8 HD3 ARG 98 HD3 ARG 98 13.035 2.703 -10.865 9 HE ARG 98 HE ARG 98 14.243 2.931 -8.184 10 HH11 ARG 98 HH11 ARG 98 13.490 4.327 -11.328 11 HH12 ARG 98 HH12 ARG 98 13.978 5.928 -10.864 12 HH21 ARG 98 HH21 ARG 98 14.877 5.058 -7.599 13 HH22 ARG 98 HH22 ARG 98 14.779 6.339 -8.769 No H/Q in entry = 13 In of MODEL 3 1 H ASP 99 H ASP 99 10.735 0.202 -11.179 2 HA ASP 99 HA ASP 99 9.768 1.370 -13.615 3 HB2 ASP 99 HB2 ASP 99 12.016 2.363 -13.506 4 HB3 ASP 99 HB3 ASP 99 12.716 0.771 -13.233 No H/Q in entry = 4 In of MODEL 3 1 H MET 100 H MET 100 10.476 -1.147 -11.564 2 HA MET 100 HA MET 100 10.469 -3.180 -13.678 3 HB2 MET 100 HB2 MET 100 12.035 -3.743 -11.204 4 HB3 MET 100 HB3 MET 100 12.348 -4.228 -12.869 5 HG2 MET 100 HG2 MET 100 13.175 -2.031 -13.399 6 HG3 MET 100 HG3 MET 100 12.760 -1.460 -11.778 7 HE1 MET 100 HE1 MET 100 13.932 -2.549 -9.549 8 HE2 MET 100 HE2 MET 100 13.651 -4.184 -10.149 9 HE3 MET 100 HE3 MET 100 15.266 -3.702 -9.628 No H/Q in entry = 9 In of MODEL 4 1 HA ILE 2 HA ILE 2 -21.511 -9.170 -4.099 2 HB ILE 2 HB ILE 2 -23.078 -8.319 -2.279 3 HG12 ILE 2 HG12 ILE 2 -22.204 -10.889 -0.926 4 HG13 ILE 2 HG13 ILE 2 -21.932 -9.258 -0.316 5 HG21 ILE 2 HG21 ILE 2 -23.806 -9.723 -4.122 6 HG22 ILE 2 HG22 ILE 2 -23.369 -11.169 -3.210 7 HG23 ILE 2 HG23 ILE 2 -24.675 -10.128 -2.642 8 HD11 ILE 2 HD11 ILE 2 -24.347 -8.946 -0.101 9 HD12 ILE 2 HD12 ILE 2 -24.604 -10.591 -0.686 10 HD13 ILE 2 HD13 ILE 2 -23.766 -10.320 0.843 No H/Q in entry = 10 In of MODEL 4 1 H GLN 3 H GLN 3 -19.753 -7.890 -4.346 2 HA GLN 3 HA GLN 3 -19.482 -5.586 -2.819 3 HB2 GLN 3 HB2 GLN 3 -18.330 -7.508 -1.320 4 HB3 GLN 3 HB3 GLN 3 -16.994 -7.210 -2.407 5 HG2 GLN 3 HG2 GLN 3 -16.751 -5.925 -0.371 6 HG3 GLN 3 HG3 GLN 3 -16.967 -4.863 -1.766 7 HE21 GLN 3 HE21 GLN 3 -18.343 -6.020 1.197 8 HE22 GLN 3 HE22 GLN 3 -19.659 -4.898 1.265 No H/Q in entry = 8 In of MODEL 4 1 H ARG 4 H ARG 4 -17.030 -4.731 -3.329 2 HA ARG 4 HA ARG 4 -16.490 -5.416 -6.145 3 HB2 ARG 4 HB2 ARG 4 -17.455 -3.211 -6.145 4 HB3 ARG 4 HB3 ARG 4 -16.403 -2.716 -4.815 5 HG2 ARG 4 HG2 ARG 4 -14.647 -2.281 -6.185 6 HG3 ARG 4 HG3 ARG 4 -14.959 -3.714 -7.148 7 HD2 ARG 4 HD2 ARG 4 -16.401 -1.055 -7.509 8 HD3 ARG 4 HD3 ARG 4 -15.216 -1.779 -8.591 9 HE ARG 4 HE ARG 4 -17.048 -3.692 -8.542 10 HH11 ARG 4 HH11 ARG 4 -17.382 -0.220 -8.936 11 HH12 ARG 4 HH12 ARG 4 -18.882 -0.339 -9.809 12 HH21 ARG 4 HH21 ARG 4 -19.031 -3.855 -9.648 13 HH22 ARG 4 HH22 ARG 4 -19.841 -2.411 -10.190 No H/Q in entry = 13 In of MODEL 4 1 H THR 5 H THR 5 -14.372 -5.701 -6.712 2 HA THR 5 HA THR 5 -12.688 -6.421 -4.541 3 HB THR 5 HB THR 5 -11.184 -7.344 -6.167 4 HG1 THR 5 HG1 THR 5 -11.756 -5.313 -7.612 5 HG21 THR 5 HG21 THR 5 -14.082 -7.691 -6.875 6 HG22 THR 5 HG22 THR 5 -12.808 -8.582 -7.708 7 HG23 THR 5 HG23 THR 5 -13.027 -8.774 -5.973 No H/Q in entry = 7 In of MODEL 4 1 HA PRO 6 HA PRO 6 -10.531 -2.460 -4.420 2 HB2 PRO 6 HB2 PRO 6 -8.836 -3.753 -2.416 3 HB3 PRO 6 HB3 PRO 6 -9.901 -2.357 -2.238 4 HG2 PRO 6 HG2 PRO 6 -10.429 -4.776 -1.106 5 HG3 PRO 6 HG3 PRO 6 -11.702 -3.636 -1.607 6 HD2 PRO 6 HD2 PRO 6 -10.706 -6.118 -2.976 7 HD3 PRO 6 HD3 PRO 6 -12.357 -5.464 -2.859 No H/Q in entry = 7 In of MODEL 4 1 H LYS 7 H LYS 7 -8.881 -1.910 -5.709 2 HA LYS 7 HA LYS 7 -7.110 -4.059 -6.627 3 HB2 LYS 7 HB2 LYS 7 -8.377 -2.884 -8.373 4 HB3 LYS 7 HB3 LYS 7 -7.734 -1.343 -7.834 5 HG2 LYS 7 HG2 LYS 7 -5.483 -2.066 -8.485 6 HG3 LYS 7 HG3 LYS 7 -6.150 -3.599 -9.049 7 HD2 LYS 7 HD2 LYS 7 -7.023 -0.913 -10.098 8 HD3 LYS 7 HD3 LYS 7 -5.752 -1.884 -10.841 9 HE2 LYS 7 HE2 LYS 7 -8.565 -2.857 -10.377 10 HE3 LYS 7 HE3 LYS 7 -8.011 -2.136 -11.888 11 HZ1 LYS 7 HZ1 LYS 7 -6.352 -3.906 -12.060 12 HZ2 LYS 7 HZ2 LYS 7 -6.943 -4.618 -10.640 13 HZ3 LYS 7 HZ3 LYS 7 -7.926 -4.529 -12.018 No H/Q in entry = 13 In of MODEL 4 1 H ILE 8 H ILE 8 -4.834 -3.570 -6.920 2 HA ILE 8 HA ILE 8 -3.903 -2.030 -4.607 3 HB ILE 8 HB ILE 8 -2.106 -3.833 -6.171 4 HG12 ILE 8 HG12 ILE 8 -4.100 -5.200 -5.865 5 HG13 ILE 8 HG13 ILE 8 -2.823 -5.757 -4.794 6 HG21 ILE 8 HG21 ILE 8 -2.356 -3.140 -3.247 7 HG22 ILE 8 HG22 ILE 8 -1.137 -4.211 -3.939 8 HG23 ILE 8 HG23 ILE 8 -1.164 -2.504 -4.382 9 HD11 ILE 8 HD11 ILE 8 -3.885 -4.534 -2.947 10 HD12 ILE 8 HD12 ILE 8 -5.194 -4.080 -4.037 11 HD13 ILE 8 HD13 ILE 8 -4.921 -5.781 -3.646 No H/Q in entry = 11 In of MODEL 4 1 H GLN 9 H GLN 9 -2.842 -0.200 -4.874 2 HA GLN 9 HA GLN 9 -1.141 0.106 -7.238 3 HB2 GLN 9 HB2 GLN 9 -2.226 2.706 -6.432 4 HB3 GLN 9 HB3 GLN 9 -2.256 2.021 -8.058 5 HG2 GLN 9 HG2 GLN 9 -4.252 0.839 -7.631 6 HG3 GLN 9 HG3 GLN 9 -4.227 1.242 -5.921 7 HE21 GLN 9 HE21 GLN 9 -3.379 3.536 -8.410 8 HE22 GLN 9 HE22 GLN 9 -4.776 4.547 -8.226 No H/Q in entry = 8 In of MODEL 4 1 H VAL 10 H VAL 10 0.861 0.488 -6.559 2 HA VAL 10 HA VAL 10 1.323 1.838 -4.001 3 HB VAL 10 HB VAL 10 1.503 -0.343 -3.180 4 HG11 VAL 10 HG11 VAL 10 1.220 -1.494 -5.313 5 HG12 VAL 10 HG12 VAL 10 2.915 -1.194 -5.700 6 HG13 VAL 10 HG13 VAL 10 2.488 -2.224 -4.330 7 HG21 VAL 10 HG21 VAL 10 4.271 0.394 -4.130 8 HG22 VAL 10 HG22 VAL 10 3.526 0.790 -2.579 9 HG23 VAL 10 HG23 VAL 10 3.931 -0.885 -2.962 No H/Q in entry = 9 In of MODEL 4 1 H TYR 11 H TYR 11 2.977 3.191 -3.994 2 HA TYR 11 HA TYR 11 5.174 3.004 -5.817 3 HB2 TYR 11 HB2 TYR 11 4.765 5.120 -7.004 4 HB3 TYR 11 HB3 TYR 11 3.492 3.956 -7.335 5 HD1 TYR 11 HD1 TYR 11 1.213 4.431 -6.786 6 HD2 TYR 11 HD2 TYR 11 4.310 7.051 -5.483 7 HE1 TYR 11 HE1 TYR 11 -0.467 6.120 -6.181 8 HE2 TYR 11 HE2 TYR 11 2.632 8.737 -4.871 9 HH TYR 11 HH TYR 11 -0.816 8.055 -5.031 No H/Q in entry = 9 In of MODEL 4 1 H SER 12 H SER 12 6.615 5.017 -5.539 2 HA SER 12 HA SER 12 6.723 5.575 -2.685 3 HB2 SER 12 HB2 SER 12 8.763 4.831 -3.916 4 HB3 SER 12 HB3 SER 12 8.693 6.319 -4.859 5 HG SER 12 HG SER 12 9.944 6.035 -2.643 No H/Q in entry = 5 In of MODEL 4 1 H ARG 13 H ARG 13 6.549 7.580 -1.785 2 HA ARG 13 HA ARG 13 4.925 9.458 -3.172 3 HB2 ARG 13 HB2 ARG 13 5.138 9.030 -0.630 4 HB3 ARG 13 HB3 ARG 13 6.552 10.055 -0.685 5 HG2 ARG 13 HG2 ARG 13 3.764 10.943 -1.420 6 HG3 ARG 13 HG3 ARG 13 4.515 11.189 0.140 7 HD2 ARG 13 HD2 ARG 13 5.003 13.198 -0.778 8 HD3 ARG 13 HD3 ARG 13 6.361 12.304 -1.435 9 HE ARG 13 HE ARG 13 4.973 12.026 -3.485 10 HH11 ARG 13 HH11 ARG 13 4.327 14.645 -1.260 11 HH12 ARG 13 HH12 ARG 13 3.801 15.745 -2.501 12 HH21 ARG 13 HH21 ARG 13 4.228 13.446 -5.124 13 HH22 ARG 13 HH22 ARG 13 3.731 15.060 -4.700 No H/Q in entry = 13 In of MODEL 4 1 H HIS 14 H HIS 14 8.340 9.582 -2.202 2 HA HIS 14 HA HIS 14 8.724 11.722 -4.171 3 HB2 HIS 14 HB2 HIS 14 9.813 11.366 -1.409 4 HB3 HIS 14 HB3 HIS 14 10.831 12.175 -2.595 5 HD2 HIS 14 HD2 HIS 14 7.728 13.524 -3.754 6 HE1 HIS 14 HE1 HIS 14 8.465 15.769 -0.245 7 HE2 HIS 14 HE2 HIS 14 7.332 15.764 -2.512 No H/Q in entry = 7 In of MODEL 4 1 HA PRO 15 HA PRO 15 11.925 9.577 -6.395 2 HB2 PRO 15 HB2 PRO 15 14.393 10.555 -5.439 3 HB3 PRO 15 HB3 PRO 15 13.487 11.147 -6.845 4 HG2 PRO 15 HG2 PRO 15 13.603 12.258 -4.054 5 HG3 PRO 15 HG3 PRO 15 13.391 13.107 -5.622 6 HD2 PRO 15 HD2 PRO 15 11.324 12.721 -3.926 7 HD3 PRO 15 HD3 PRO 15 11.107 12.655 -5.700 No H/Q in entry = 7 In of MODEL 4 1 H ALA 16 H ALA 16 12.630 7.582 -6.179 2 HA ALA 16 HA ALA 16 13.095 6.533 -3.508 3 HB1 ALA 16 HB1 ALA 16 11.519 5.380 -4.973 4 HB2 ALA 16 HB2 ALA 16 12.808 5.106 -6.147 5 HB3 ALA 16 HB3 ALA 16 12.886 4.343 -4.557 No H/Q in entry = 5 In of MODEL 4 1 H GLU 17 H GLU 17 15.093 6.252 -2.760 2 HA GLU 17 HA GLU 17 17.272 5.847 -4.662 3 HB2 GLU 17 HB2 GLU 17 17.221 8.187 -3.918 4 HB3 GLU 17 HB3 GLU 17 17.269 7.663 -2.239 5 HG2 GLU 17 HG2 GLU 17 19.484 6.912 -2.436 6 HG3 GLU 17 HG3 GLU 17 19.435 6.989 -4.173 No H/Q in entry = 6 In of MODEL 4 1 H ASN 18 H ASN 18 18.609 4.227 -4.164 2 HA ASN 18 HA ASN 18 18.059 2.573 -1.874 3 HB2 ASN 18 HB2 ASN 18 18.554 1.240 -3.678 4 HB3 ASN 18 HB3 ASN 18 19.743 2.360 -4.333 5 HD21 ASN 18 HD21 ASN 18 21.213 0.740 -4.703 6 HD22 ASN 18 HD22 ASN 18 22.083 -0.053 -3.428 No H/Q in entry = 6 In of MODEL 4 1 H GLY 19 H GLY 19 19.110 2.466 -0.027 2 HA2 GLY 19 HA2 GLY 19 21.756 3.616 0.328 3 HA3 GLY 19 HA3 GLY 19 20.761 2.854 1.580 No H/Q in entry = 3 In of MODEL 4 1 H LYS 20 H LYS 20 18.494 4.552 0.611 2 HA LYS 20 HA LYS 20 19.186 7.039 1.995 3 HB2 LYS 20 HB2 LYS 20 19.331 7.083 -0.629 4 HB3 LYS 20 HB3 LYS 20 17.579 7.089 -0.538 5 HG2 LYS 20 HG2 LYS 20 18.163 9.333 -0.724 6 HG3 LYS 20 HG3 LYS 20 17.813 9.106 0.992 7 HD2 LYS 20 HD2 LYS 20 20.292 8.759 1.318 8 HD3 LYS 20 HD3 LYS 20 20.506 9.301 -0.342 9 HE2 LYS 20 HE2 LYS 20 20.810 11.091 1.411 10 HE3 LYS 20 HE3 LYS 20 19.621 11.467 0.160 11 HZ1 LYS 20 HZ1 LYS 20 18.909 10.325 2.807 12 HZ2 LYS 20 HZ2 LYS 20 18.910 11.989 2.476 13 HZ3 LYS 20 HZ3 LYS 20 17.856 10.959 1.637 No H/Q in entry = 13 In of MODEL 4 1 H SER 21 H SER 21 17.474 7.947 3.084 2 HA SER 21 HA SER 21 15.267 6.252 3.654 3 HB2 SER 21 HB2 SER 21 15.838 9.124 4.368 4 HB3 SER 21 HB3 SER 21 14.478 8.196 5.000 5 HG SER 21 HG SER 21 16.692 6.755 5.323 No H/Q in entry = 5 In of MODEL 4 1 H ASN 22 H ASN 22 13.163 6.413 3.047 2 HA ASN 22 HA ASN 22 12.394 8.350 0.988 3 HB2 ASN 22 HB2 ASN 22 13.538 6.227 -0.026 4 HB3 ASN 22 HB3 ASN 22 12.139 5.356 0.562 5 HD21 ASN 22 HD21 ASN 22 11.698 8.607 -0.680 6 HD22 ASN 22 HD22 ASN 22 10.948 8.103 -2.161 No H/Q in entry = 6 In of MODEL 4 1 H PHE 23 H PHE 23 9.973 7.934 0.436 2 HA PHE 23 HA PHE 23 8.587 6.958 2.847 3 HB2 PHE 23 HB2 PHE 23 8.009 9.406 1.181 4 HB3 PHE 23 HB3 PHE 23 6.828 8.708 2.279 5 HD1 PHE 23 HD1 PHE 23 10.359 9.935 2.288 6 HD2 PHE 23 HD2 PHE 23 6.683 9.543 4.393 7 HE1 PHE 23 HE1 PHE 23 11.275 11.284 4.134 8 HE2 PHE 23 HE2 PHE 23 7.589 10.888 6.240 9 HZ PHE 23 HZ PHE 23 9.890 11.749 6.118 No H/Q in entry = 9 In of MODEL 4 1 H LEU 24 H LEU 24 7.202 5.362 2.445 2 HA LEU 24 HA LEU 24 6.603 4.647 -0.320 3 HB2 LEU 24 HB2 LEU 24 7.068 3.222 2.004 4 HB3 LEU 24 HB3 LEU 24 5.351 3.034 1.755 5 HG LEU 24 HG LEU 24 7.569 2.200 -0.136 6 HD11 LEU 24 HD11 LEU 24 7.214 0.733 1.800 7 HD12 LEU 24 HD12 LEU 24 5.506 0.603 1.385 8 HD13 LEU 24 HD13 LEU 24 6.729 -0.051 0.295 9 HD21 LEU 24 HD21 LEU 24 4.580 2.065 -0.521 10 HD22 LEU 24 HD22 LEU 24 5.736 2.988 -1.484 11 HD23 LEU 24 HD23 LEU 24 5.771 1.224 -1.515 No H/Q in entry = 11 In of MODEL 4 1 H ASN 25 H ASN 25 4.523 4.388 -1.083 2 HA ASN 25 HA ASN 25 2.340 5.347 0.615 3 HB2 ASN 25 HB2 ASN 25 3.061 6.360 -2.131 4 HB3 ASN 25 HB3 ASN 25 1.384 6.365 -1.611 5 HD21 ASN 25 HD21 ASN 25 1.147 8.540 -1.577 6 HD22 ASN 25 HD22 ASN 25 1.948 9.571 -0.447 No H/Q in entry = 6 In of MODEL 4 1 H CYS 26 H CYS 26 0.713 3.903 0.650 2 HA CYS 26 HA CYS 26 0.422 2.090 -1.647 3 HB2 CYS 26 HB2 CYS 26 1.438 1.079 0.494 4 HB3 CYS 26 HB3 CYS 26 -0.179 1.257 1.179 No H/Q in entry = 4 In of MODEL 4 1 H TYR 27 H TYR 27 -1.517 2.226 -2.547 2 HA TYR 27 HA TYR 27 -3.639 3.598 -1.024 3 HB2 TYR 27 HB2 TYR 27 -2.742 3.993 -3.877 4 HB3 TYR 27 HB3 TYR 27 -4.344 4.464 -3.343 5 HD1 TYR 27 HD1 TYR 27 -0.718 5.188 -2.950 6 HD2 TYR 27 HD2 TYR 27 -4.694 6.486 -2.129 7 HE1 TYR 27 HE1 TYR 27 0.129 7.412 -2.390 8 HE2 TYR 27 HE2 TYR 27 -3.842 8.716 -1.553 9 HH TYR 27 HH TYR 27 -0.806 9.784 -2.349 No H/Q in entry = 9 In of MODEL 4 1 H VAL 28 H VAL 28 -5.129 2.080 -0.631 2 HA VAL 28 HA VAL 28 -5.900 0.335 -2.883 3 HB VAL 28 HB VAL 28 -6.614 -0.322 -0.042 4 HG11 VAL 28 HG11 VAL 28 -6.130 -1.968 -2.512 5 HG12 VAL 28 HG12 VAL 28 -6.602 -2.607 -0.935 6 HG13 VAL 28 HG13 VAL 28 -7.698 -1.548 -1.823 7 HG21 VAL 28 HG21 VAL 28 -3.983 -0.935 -1.375 8 HG22 VAL 28 HG22 VAL 28 -4.246 -0.069 0.144 9 HG23 VAL 28 HG23 VAL 28 -4.597 -1.798 0.040 No H/Q in entry = 9 In of MODEL 4 1 H SER 29 H SER 29 -7.758 0.993 -3.782 2 HA SER 29 HA SER 29 -9.924 1.938 -2.071 3 HB2 SER 29 HB2 SER 29 -8.850 3.644 -4.328 4 HB3 SER 29 HB3 SER 29 -10.205 4.034 -3.267 5 HG SER 29 HG SER 29 -8.084 3.437 -1.764 No H/Q in entry = 5 In of MODEL 4 1 H GLY 30 H GLY 30 -11.861 2.632 -3.543 2 HA2 GLY 30 HA2 GLY 30 -12.049 1.022 -5.976 3 HA3 GLY 30 HA3 GLY 30 -13.191 2.253 -5.454 No H/Q in entry = 3 In of MODEL 4 1 H PHE 31 H PHE 31 -13.064 0.994 -2.693 2 HA PHE 31 HA PHE 31 -14.662 -1.409 -3.253 3 HB2 PHE 31 HB2 PHE 31 -13.666 -2.450 -1.283 4 HB3 PHE 31 HB3 PHE 31 -12.398 -1.925 -2.408 5 HD1 PHE 31 HD1 PHE 31 -10.905 -0.129 -1.861 6 HD2 PHE 31 HD2 PHE 31 -14.014 -1.251 0.818 7 HE1 PHE 31 HE1 PHE 31 -9.866 1.218 -0.090 8 HE2 PHE 31 HE2 PHE 31 -12.966 0.079 2.595 9 HZ PHE 31 HZ PHE 31 -10.896 1.321 2.137 No H/Q in entry = 9 In of MODEL 4 1 H HIS 32 H HIS 32 -15.633 -2.146 -0.997 2 HA HIS 32 HA HIS 32 -16.650 0.064 0.613 3 HB2 HIS 32 HB2 HIS 32 -18.587 -1.953 -0.641 4 HB3 HIS 32 HB3 HIS 32 -18.983 -0.768 0.587 5 HD2 HIS 32 HD2 HIS 32 -18.056 -0.851 -3.217 6 HE1 HIS 32 HE1 HIS 32 -19.936 2.817 -2.258 7 HE2 HIS 32 HE2 HIS 32 -18.831 1.464 -4.092 No H/Q in entry = 7 In of MODEL 4 1 HA PRO 33 HA PRO 33 -18.895 -0.535 2.306 2 HB2 PRO 33 HB2 PRO 33 -17.892 -0.410 5.081 3 HB3 PRO 33 HB3 PRO 33 -19.526 -0.716 4.485 4 HG2 PRO 33 HG2 PRO 33 -18.058 -2.680 5.540 5 HG3 PRO 33 HG3 PRO 33 -19.127 -2.973 4.155 6 HD2 PRO 33 HD2 PRO 33 -16.155 -2.586 4.206 7 HD3 PRO 33 HD3 PRO 33 -17.123 -3.759 3.283 No H/Q in entry = 7 In of MODEL 4 1 H SER 34 H SER 34 -16.214 0.230 4.602 2 HA SER 34 HA SER 34 -15.359 2.417 2.922 3 HB2 SER 34 HB2 SER 34 -15.628 4.073 4.719 4 HB3 SER 34 HB3 SER 34 -17.198 3.376 4.312 5 HG SER 34 HG SER 34 -15.700 3.169 6.636 No H/Q in entry = 5 In of MODEL 4 1 H ASP 35 H ASP 35 -14.441 -0.193 4.003 2 HA ASP 35 HA ASP 35 -12.050 0.664 5.426 3 HB2 ASP 35 HB2 ASP 35 -13.235 0.309 7.372 4 HB3 ASP 35 HB3 ASP 35 -14.210 -0.987 6.677 No H/Q in entry = 4 In of MODEL 4 1 H ILE 36 H ILE 36 -10.342 -0.496 4.969 2 HA ILE 36 HA ILE 36 -10.549 -3.316 4.279 3 HB ILE 36 HB ILE 36 -10.476 -1.963 2.081 4 HG12 ILE 36 HG12 ILE 36 -8.582 -4.154 2.861 5 HG13 ILE 36 HG13 ILE 36 -9.998 -4.230 1.823 6 HG21 ILE 36 HG21 ILE 36 -7.670 -1.499 3.078 7 HG22 ILE 36 HG22 ILE 36 -8.183 -1.250 1.408 8 HG23 ILE 36 HG23 ILE 36 -8.872 -0.267 2.696 9 HD11 ILE 36 HD11 ILE 36 -7.379 -2.934 1.100 10 HD12 ILE 36 HD12 ILE 36 -7.907 -4.534 0.583 11 HD13 ILE 36 HD13 ILE 36 -8.782 -3.100 0.047 No H/Q in entry = 11 In of MODEL 4 1 H GLU 37 H GLU 37 -8.491 -4.434 4.639 2 HA GLU 37 HA GLU 37 -6.672 -2.849 6.297 3 HB2 GLU 37 HB2 GLU 37 -7.988 -4.890 7.248 4 HB3 GLU 37 HB3 GLU 37 -6.839 -5.839 6.313 5 HG2 GLU 37 HG2 GLU 37 -6.017 -5.700 8.544 6 HG3 GLU 37 HG3 GLU 37 -4.993 -4.679 7.530 No H/Q in entry = 6 In of MODEL 4 1 H VAL 38 H VAL 38 -4.787 -2.466 5.384 2 HA VAL 38 HA VAL 38 -3.686 -4.435 3.528 3 HB VAL 38 HB VAL 38 -3.967 -3.051 1.817 4 HG11 VAL 38 HG11 VAL 38 -4.523 -0.873 3.800 5 HG12 VAL 38 HG12 VAL 38 -4.697 -0.708 2.051 6 HG13 VAL 38 HG13 VAL 38 -5.691 -1.869 2.934 7 HG21 VAL 38 HG21 VAL 38 -1.943 -1.316 3.231 8 HG22 VAL 38 HG22 VAL 38 -1.609 -2.602 2.077 9 HG23 VAL 38 HG23 VAL 38 -2.421 -1.126 1.539 No H/Q in entry = 9 In of MODEL 4 1 H ASP 39 H ASP 39 -1.568 -4.784 3.641 2 HA ASP 39 HA ASP 39 -0.074 -3.404 5.767 3 HB2 ASP 39 HB2 ASP 39 -0.444 -5.273 6.999 4 HB3 ASP 39 HB3 ASP 39 -0.854 -6.245 5.600 No H/Q in entry = 4 In of MODEL 4 1 H LEU 40 H LEU 40 2.117 -3.202 5.430 2 HA LEU 40 HA LEU 40 2.919 -3.573 2.648 3 HB2 LEU 40 HB2 LEU 40 4.440 -2.051 4.756 4 HB3 LEU 40 HB3 LEU 40 4.611 -1.948 3.014 5 HG LEU 40 HG LEU 40 2.241 -0.972 4.608 6 HD11 LEU 40 HD11 LEU 40 4.435 0.527 3.184 7 HD12 LEU 40 HD12 LEU 40 3.013 1.256 3.930 8 HD13 LEU 40 HD13 LEU 40 4.202 0.418 4.932 9 HD21 LEU 40 HD21 LEU 40 2.816 -0.925 1.657 10 HD22 LEU 40 HD22 LEU 40 1.446 -1.675 2.483 11 HD23 LEU 40 HD23 LEU 40 1.597 0.086 2.438 No H/Q in entry = 11 In of MODEL 4 1 H LEU 41 H LEU 41 4.700 -4.726 2.058 2 HA LEU 41 HA LEU 41 5.700 -6.553 4.136 3 HB2 LEU 41 HB2 LEU 41 5.669 -7.217 1.231 4 HB3 LEU 41 HB3 LEU 41 5.789 -8.283 2.596 5 HG LEU 41 HG LEU 41 3.300 -6.794 1.809 6 HD11 LEU 41 HD11 LEU 41 3.946 -8.504 0.198 7 HD12 LEU 41 HD12 LEU 41 4.079 -9.688 1.499 8 HD13 LEU 41 HD13 LEU 41 2.513 -8.994 1.097 9 HD21 LEU 41 HD21 LEU 41 3.802 -8.917 3.892 10 HD22 LEU 41 HD22 LEU 41 3.452 -7.218 4.210 11 HD23 LEU 41 HD23 LEU 41 2.227 -8.245 3.463 No H/Q in entry = 11 In of MODEL 4 1 H LYS 42 H LYS 42 7.581 -7.794 3.151 2 HA LYS 42 HA LYS 42 9.502 -6.217 1.715 3 HB2 LYS 42 HB2 LYS 42 9.836 -6.765 4.623 4 HB3 LYS 42 HB3 LYS 42 11.264 -6.833 3.591 5 HG2 LYS 42 HG2 LYS 42 10.676 -4.566 2.744 6 HG3 LYS 42 HG3 LYS 42 9.389 -4.494 3.941 7 HD2 LYS 42 HD2 LYS 42 12.269 -4.975 4.708 8 HD3 LYS 42 HD3 LYS 42 11.638 -3.352 4.467 9 HE2 LYS 42 HE2 LYS 42 11.458 -3.690 6.758 10 HE3 LYS 42 HE3 LYS 42 9.833 -4.012 6.159 11 HZ1 LYS 42 HZ1 LYS 42 11.823 -6.154 6.615 12 HZ2 LYS 42 HZ2 LYS 42 10.740 -5.634 7.811 13 HZ3 LYS 42 HZ3 LYS 42 10.146 -6.311 6.377 No H/Q in entry = 13 In of MODEL 4 1 H ASN 43 H ASN 43 9.704 -7.643 0.173 2 HA ASN 43 HA ASN 43 10.094 -9.523 -0.989 3 HB2 ASN 43 HB2 ASN 43 11.661 -10.224 1.476 4 HB3 ASN 43 HB3 ASN 43 11.565 -11.318 0.104 5 HD21 ASN 43 HD21 ASN 43 12.872 -8.375 1.339 6 HD22 ASN 43 HD22 ASN 43 13.936 -8.051 0.018 No H/Q in entry = 6 In of MODEL 4 1 H GLY 44 H GLY 44 8.334 -9.634 1.858 2 HA2 GLY 44 HA2 GLY 44 7.390 -12.362 1.453 3 HA3 GLY 44 HA3 GLY 44 6.248 -11.060 1.112 No H/Q in entry = 3 In of MODEL 4 1 H GLU 45 H GLU 45 8.169 -9.977 3.582 2 HA GLU 45 HA GLU 45 6.575 -11.296 5.641 3 HB2 GLU 45 HB2 GLU 45 8.366 -10.744 7.147 4 HB3 GLU 45 HB3 GLU 45 9.007 -11.456 5.679 5 HG2 GLU 45 HG2 GLU 45 10.477 -9.810 6.012 6 HG3 GLU 45 HG3 GLU 45 9.353 -9.050 4.910 No H/Q in entry = 6 In of MODEL 4 1 H ARG 46 H ARG 46 5.603 -10.118 7.298 2 HA ARG 46 HA ARG 46 4.405 -7.693 6.465 3 HB2 ARG 46 HB2 ARG 46 3.249 -9.438 7.798 4 HB3 ARG 46 HB3 ARG 46 4.305 -9.079 9.150 5 HG2 ARG 46 HG2 ARG 46 3.315 -6.996 9.484 6 HG3 ARG 46 HG3 ARG 46 2.507 -7.046 7.903 7 HD2 ARG 46 HD2 ARG 46 1.740 -8.423 10.426 8 HD3 ARG 46 HD3 ARG 46 0.727 -7.755 9.146 9 HE ARG 46 HE ARG 46 2.205 -10.219 8.629 10 HH11 ARG 46 HH11 ARG 46 -0.855 -8.596 9.193 11 HH12 ARG 46 HH12 ARG 46 -1.804 -9.939 8.636 12 HH21 ARG 46 HH21 ARG 46 0.938 -11.979 7.887 13 HH22 ARG 46 HH22 ARG 46 -0.794 -11.846 7.867 No H/Q in entry = 13 In of MODEL 4 1 H ILE 47 H ILE 47 4.786 -5.622 6.985 2 HA ILE 47 HA ILE 47 7.033 -4.991 8.764 3 HB ILE 47 HB ILE 47 5.468 -3.181 6.908 4 HG12 ILE 47 HG12 ILE 47 8.262 -4.263 6.577 5 HG13 ILE 47 HG13 ILE 47 6.849 -4.948 5.776 6 HG21 ILE 47 HG21 ILE 47 6.466 -2.011 8.829 7 HG22 ILE 47 HG22 ILE 47 8.043 -2.674 8.397 8 HG23 ILE 47 HG23 ILE 47 7.232 -1.552 7.305 9 HD11 ILE 47 HD11 ILE 47 7.860 -2.134 5.443 10 HD12 ILE 47 HD12 ILE 47 8.104 -3.462 4.307 11 HD13 ILE 47 HD13 ILE 47 6.479 -2.849 4.615 No H/Q in entry = 11 In of MODEL 4 1 H GLU 48 H GLU 48 6.756 -3.806 10.627 2 HA GLU 48 HA GLU 48 4.003 -3.725 11.552 3 HB2 GLU 48 HB2 GLU 48 5.278 -3.346 13.827 4 HB3 GLU 48 HB3 GLU 48 5.100 -4.944 13.129 5 HG2 GLU 48 HG2 GLU 48 7.534 -3.255 12.720 6 HG3 GLU 48 HG3 GLU 48 7.360 -4.353 14.072 No H/Q in entry = 6 In of MODEL 4 1 H LYS 49 H LYS 49 6.842 -1.502 11.443 2 HA LYS 49 HA LYS 49 5.547 0.624 12.685 3 HB2 LYS 49 HB2 LYS 49 7.836 0.626 10.747 4 HB3 LYS 49 HB3 LYS 49 7.362 1.988 11.768 5 HG2 LYS 49 HG2 LYS 49 7.643 0.515 13.730 6 HG3 LYS 49 HG3 LYS 49 8.294 -0.700 12.666 7 HD2 LYS 49 HD2 LYS 49 9.444 2.049 12.842 8 HD3 LYS 49 HD3 LYS 49 9.970 0.723 13.877 9 HE2 LYS 49 HE2 LYS 49 10.617 -0.578 11.945 10 HE3 LYS 49 HE3 LYS 49 10.011 0.682 10.866 11 HZ1 LYS 49 HZ1 LYS 49 12.192 1.102 12.838 12 HZ2 LYS 49 HZ2 LYS 49 12.450 0.745 11.197 13 HZ3 LYS 49 HZ3 LYS 49 11.672 2.180 11.643 No H/Q in entry = 13 In of MODEL 4 1 H VAL 50 H VAL 50 4.611 -0.640 9.809 2 HA VAL 50 HA VAL 50 4.063 1.559 8.191 3 HB VAL 50 HB VAL 50 2.386 -0.910 8.646 4 HG11 VAL 50 HG11 VAL 50 1.150 0.984 7.596 5 HG12 VAL 50 HG12 VAL 50 2.349 0.986 6.297 6 HG13 VAL 50 HG13 VAL 50 1.320 -0.424 6.541 7 HG21 VAL 50 HG21 VAL 50 4.666 -1.384 7.926 8 HG22 VAL 50 HG22 VAL 50 3.507 -1.757 6.656 9 HG23 VAL 50 HG23 VAL 50 4.469 -0.287 6.559 No H/Q in entry = 9 In of MODEL 4 1 H GLU 51 H GLU 51 2.571 3.162 8.232 2 HA GLU 51 HA GLU 51 0.545 3.078 10.357 3 HB2 GLU 51 HB2 GLU 51 2.100 5.551 9.579 4 HB3 GLU 51 HB3 GLU 51 0.877 5.415 10.840 5 HG2 GLU 51 HG2 GLU 51 2.300 3.947 12.113 6 HG3 GLU 51 HG3 GLU 51 3.526 3.998 10.845 No H/Q in entry = 6 In of MODEL 4 1 H HIS 52 H HIS 52 -1.382 3.917 9.879 2 HA HIS 52 HA HIS 52 -1.802 4.928 7.145 3 HB2 HIS 52 HB2 HIS 52 -4.194 4.326 7.444 4 HB3 HIS 52 HB3 HIS 52 -3.116 2.941 7.530 5 HD2 HIS 52 HD2 HIS 52 -2.611 2.166 10.354 6 HE1 HIS 52 HE1 HIS 52 -6.437 3.586 11.462 7 HE2 HIS 52 HE2 HIS 52 -4.358 2.374 12.255 No H/Q in entry = 7 In of MODEL 4 1 H SER 53 H SER 53 -2.454 6.965 6.861 2 HA SER 53 HA SER 53 -2.869 8.627 9.198 3 HB2 SER 53 HB2 SER 53 -1.468 9.320 7.189 4 HB3 SER 53 HB3 SER 53 -2.980 9.497 6.304 5 HG SER 53 HG SER 53 -1.818 11.240 7.941 No H/Q in entry = 5 In of MODEL 4 1 H ASP 54 H ASP 54 -4.633 10.539 8.073 2 HA ASP 54 HA ASP 54 -7.074 9.478 8.969 3 HB2 ASP 54 HB2 ASP 54 -6.487 11.896 8.996 4 HB3 ASP 54 HB3 ASP 54 -6.690 11.931 7.246 No H/Q in entry = 4 In of MODEL 4 1 H LEU 55 H LEU 55 -8.755 8.595 8.001 2 HA LEU 55 HA LEU 55 -8.561 7.061 5.761 3 HB2 LEU 55 HB2 LEU 55 -10.390 7.160 7.593 4 HB3 LEU 55 HB3 LEU 55 -11.201 8.280 6.523 5 HG LEU 55 HG LEU 55 -11.980 5.877 6.440 6 HD11 LEU 55 HD11 LEU 55 -12.469 7.494 4.651 7 HD12 LEU 55 HD12 LEU 55 -10.989 7.004 3.831 8 HD13 LEU 55 HD13 LEU 55 -12.296 5.844 4.052 9 HD21 LEU 55 HD21 LEU 55 -9.783 4.828 6.584 10 HD22 LEU 55 HD22 LEU 55 -10.660 4.303 5.145 11 HD23 LEU 55 HD23 LEU 55 -9.363 5.489 5.003 No H/Q in entry = 11 In of MODEL 4 1 H SER 56 H SER 56 -10.867 9.729 5.612 2 HA SER 56 HA SER 56 -9.861 11.072 3.371 3 HB2 SER 56 HB2 SER 56 -11.700 8.761 2.778 4 HB3 SER 56 HB3 SER 56 -11.741 10.204 1.770 5 HG SER 56 HG SER 56 -9.358 8.768 2.330 No H/Q in entry = 5 In of MODEL 4 1 H PHE 57 H PHE 57 -11.930 12.069 2.135 2 HA PHE 57 HA PHE 57 -14.065 12.589 4.086 3 HB2 PHE 57 HB2 PHE 57 -12.535 14.555 4.106 4 HB3 PHE 57 HB3 PHE 57 -12.768 14.738 2.371 5 HD1 PHE 57 HD1 PHE 57 -14.593 15.930 1.517 6 HD2 PHE 57 HD2 PHE 57 -14.521 14.829 5.626 7 HE1 PHE 57 HE1 PHE 57 -16.548 17.364 1.931 8 HE2 PHE 57 HE2 PHE 57 -16.476 16.262 6.047 9 HZ PHE 57 HZ PHE 57 -17.493 17.530 4.200 No H/Q in entry = 9 In of MODEL 4 1 H SER 58 H SER 58 -15.829 11.796 3.203 2 HA SER 58 HA SER 58 -16.092 10.969 0.560 3 HB2 SER 58 HB2 SER 58 -18.359 11.691 2.429 4 HB3 SER 58 HB3 SER 58 -18.395 10.526 1.103 5 HG SER 58 HG SER 58 -18.112 9.388 3.002 No H/Q in entry = 5 In of MODEL 4 1 H LYS 59 H LYS 59 -17.321 11.812 -1.222 2 HA LYS 59 HA LYS 59 -18.098 14.566 -1.185 3 HB2 LYS 59 HB2 LYS 59 -15.657 13.706 -2.758 4 HB3 LYS 59 HB3 LYS 59 -16.535 15.199 -3.051 5 HG2 LYS 59 HG2 LYS 59 -15.983 15.971 -0.805 6 HG3 LYS 59 HG3 LYS 59 -15.122 14.462 -0.495 7 HD2 LYS 59 HD2 LYS 59 -14.432 16.508 -2.605 8 HD3 LYS 59 HD3 LYS 59 -13.563 16.239 -1.092 9 HE2 LYS 59 HE2 LYS 59 -13.889 14.245 -3.332 10 HE3 LYS 59 HE3 LYS 59 -12.431 15.168 -2.976 11 HZ1 LYS 59 HZ1 LYS 59 -12.336 14.067 -0.808 12 HZ2 LYS 59 HZ2 LYS 59 -13.697 13.143 -1.208 13 HZ3 LYS 59 HZ3 LYS 59 -12.262 12.954 -2.080 No H/Q in entry = 13 In of MODEL 4 1 H ASP 60 H ASP 60 -16.811 13.197 -4.133 2 HA ASP 60 HA ASP 60 -19.507 12.279 -4.877 3 HB2 ASP 60 HB2 ASP 60 -17.356 13.279 -6.755 4 HB3 ASP 60 HB3 ASP 60 -19.025 12.896 -7.160 No H/Q in entry = 4 In of MODEL 4 1 H TRP 61 H TRP 61 -16.031 11.844 -5.431 2 HA TRP 61 HA TRP 61 -16.462 9.281 -6.679 3 HB2 TRP 61 HB2 TRP 61 -14.715 10.907 -7.455 4 HB3 TRP 61 HB3 TRP 61 -13.838 10.604 -5.962 5 HD1 TRP 61 HD1 TRP 61 -11.985 8.863 -6.192 6 HE1 TRP 61 HE1 TRP 61 -11.483 6.870 -7.750 7 HE3 TRP 61 HE3 TRP 61 -16.233 8.985 -9.042 8 HZ2 TRP 61 HZ2 TRP 61 -12.733 5.536 -9.895 9 HZ3 TRP 61 HZ3 TRP 61 -16.514 7.323 -10.822 10 HH2 TRP 61 HH2 TRP 61 -14.776 5.612 -11.246 No H/Q in entry = 10 In of MODEL 4 1 H SER 62 H SER 62 -14.925 7.457 -5.962 2 HA SER 62 HA SER 62 -15.754 6.498 -3.491 3 HB2 SER 62 HB2 SER 62 -13.432 5.693 -5.262 4 HB3 SER 62 HB3 SER 62 -13.980 4.738 -3.877 5 HG SER 62 HG SER 62 -15.775 4.196 -4.930 No H/Q in entry = 5 In of MODEL 4 1 H PHE 63 H PHE 63 -14.491 5.906 -1.642 2 HA PHE 63 HA PHE 63 -12.872 8.087 -0.674 3 HB2 PHE 63 HB2 PHE 63 -13.103 5.613 0.938 4 HB3 PHE 63 HB3 PHE 63 -13.338 7.289 1.416 5 HD1 PHE 63 HD1 PHE 63 -15.518 8.321 1.296 6 HD2 PHE 63 HD2 PHE 63 -14.916 4.314 -0.014 7 HE1 PHE 63 HE1 PHE 63 -17.957 7.958 1.283 8 HE2 PHE 63 HE2 PHE 63 -17.350 3.947 -0.026 9 HZ PHE 63 HZ PHE 63 -18.871 5.770 0.620 No H/Q in entry = 9 In of MODEL 4 1 H TYR 64 H TYR 64 -10.818 7.592 0.513 2 HA TYR 64 HA TYR 64 -9.274 5.479 -0.840 3 HB2 TYR 64 HB2 TYR 64 -8.119 8.156 -0.043 4 HB3 TYR 64 HB3 TYR 64 -7.410 6.948 -1.104 5 HD1 TYR 64 HD1 TYR 64 -9.427 9.889 -0.906 6 HD2 TYR 64 HD2 TYR 64 -8.512 6.547 -3.368 7 HE1 TYR 64 HE1 TYR 64 -10.363 11.070 -2.844 8 HE2 TYR 64 HE2 TYR 64 -9.448 7.721 -5.318 9 HH TYR 64 HH TYR 64 -11.055 9.518 -5.780 No H/Q in entry = 9 In of MODEL 4 1 H LEU 65 H LEU 65 -7.734 4.431 0.455 2 HA LEU 65 HA LEU 65 -7.339 5.488 3.153 3 HB2 LEU 65 HB2 LEU 65 -8.862 3.785 3.602 4 HB3 LEU 65 HB3 LEU 65 -8.181 2.713 2.395 5 HG LEU 65 HG LEU 65 -6.503 3.374 4.775 6 HD11 LEU 65 HD11 LEU 65 -8.874 2.915 5.534 7 HD12 LEU 65 HD12 LEU 65 -8.665 1.295 4.875 8 HD13 LEU 65 HD13 LEU 65 -7.625 1.860 6.183 9 HD21 LEU 65 HD21 LEU 65 -7.013 0.878 3.163 10 HD22 LEU 65 HD22 LEU 65 -5.638 1.967 2.976 11 HD23 LEU 65 HD23 LEU 65 -5.834 1.043 4.465 No H/Q in entry = 11 In of MODEL 4 1 H LEU 66 H LEU 66 -5.289 5.493 3.843 2 HA LEU 66 HA LEU 66 -3.341 4.674 1.800 3 HB2 LEU 66 HB2 LEU 66 -3.969 7.184 2.361 4 HB3 LEU 66 HB3 LEU 66 -2.855 6.931 3.674 5 HG LEU 66 HG LEU 66 -2.169 6.625 0.766 6 HD11 LEU 66 HD11 LEU 66 -1.501 8.819 2.722 7 HD12 LEU 66 HD12 LEU 66 -0.863 8.679 1.084 8 HD13 LEU 66 HD13 LEU 66 -2.587 8.949 1.340 9 HD21 LEU 66 HD21 LEU 66 -0.514 6.400 3.251 10 HD22 LEU 66 HD22 LEU 66 -0.767 5.185 2.004 11 HD23 LEU 66 HD23 LEU 66 0.175 6.632 1.649 No H/Q in entry = 11 In of MODEL 4 1 H TYR 67 H TYR 67 -1.815 3.325 2.432 2 HA TYR 67 HA TYR 67 -1.046 3.242 5.276 3 HB2 TYR 67 HB2 TYR 67 -1.655 1.046 3.387 4 HB3 TYR 67 HB3 TYR 67 -0.281 0.810 4.460 5 HD1 TYR 67 HD1 TYR 67 -0.610 0.793 6.905 6 HD2 TYR 67 HD2 TYR 67 -3.908 0.927 4.218 7 HE1 TYR 67 HE1 TYR 67 -2.100 0.031 8.709 8 HE2 TYR 67 HE2 TYR 67 -5.390 0.151 6.004 9 HH TYR 67 HH TYR 67 -5.140 -1.169 8.216 No H/Q in entry = 9 In of MODEL 4 1 H TYR 68 H TYR 68 0.907 4.009 5.590 2 HA TYR 68 HA TYR 68 2.919 3.606 3.476 3 HB2 TYR 68 HB2 TYR 68 3.688 5.930 3.706 4 HB3 TYR 68 HB3 TYR 68 2.002 5.875 3.191 5 HD1 TYR 68 HD1 TYR 68 4.291 6.741 5.926 6 HD2 TYR 68 HD2 TYR 68 0.240 6.693 4.637 7 HE1 TYR 68 HE1 TYR 68 3.703 8.280 7.749 8 HE2 TYR 68 HE2 TYR 68 -0.368 8.237 6.456 9 HH TYR 68 HH TYR 68 2.034 9.815 8.408 No H/Q in entry = 9 In of MODEL 4 1 H THR 69 H THR 69 5.142 4.090 4.195 2 HA THR 69 HA THR 69 5.638 4.105 7.040 3 HB THR 69 HB THR 69 5.226 1.679 6.600 4 HG1 THR 69 HG1 THR 69 7.008 2.689 8.057 5 HG21 THR 69 HG21 THR 69 7.620 1.965 4.780 6 HG22 THR 69 HG22 THR 69 6.977 0.425 5.348 7 HG23 THR 69 HG23 THR 69 5.988 1.468 4.324 No H/Q in entry = 7 In of MODEL 4 1 H GLU 70 H GLU 70 7.678 4.777 7.518 2 HA GLU 70 HA GLU 70 9.261 5.857 5.345 3 HB2 GLU 70 HB2 GLU 70 8.907 7.085 7.501 4 HB3 GLU 70 HB3 GLU 70 9.826 5.834 8.325 5 HG2 GLU 70 HG2 GLU 70 11.798 6.417 7.003 6 HG3 GLU 70 HG3 GLU 70 10.874 7.677 6.188 No H/Q in entry = 6 In of MODEL 4 1 H PHE 71 H PHE 71 11.078 4.956 4.519 2 HA PHE 71 HA PHE 71 12.168 2.575 5.759 3 HB2 PHE 71 HB2 PHE 71 11.776 1.102 3.874 4 HB3 PHE 71 HB3 PHE 71 10.236 1.720 4.453 5 HD1 PHE 71 HD1 PHE 71 10.456 4.455 3.092 6 HD2 PHE 71 HD2 PHE 71 11.115 0.489 1.710 7 HE1 PHE 71 HE1 PHE 71 9.870 5.156 0.801 8 HE2 PHE 71 HE2 PHE 71 10.530 1.182 -0.578 9 HZ PHE 71 HZ PHE 71 9.925 3.525 -1.046 No H/Q in entry = 9 In of MODEL 4 1 H THR 72 H THR 72 14.098 1.802 4.611 2 HA THR 72 HA THR 72 15.274 3.815 2.824 3 HB THR 72 HB THR 72 16.721 2.198 4.934 4 HG1 THR 72 HG1 THR 72 15.271 4.260 5.322 5 HG21 THR 72 HG21 THR 72 18.119 2.674 2.969 6 HG22 THR 72 HG22 THR 72 17.732 4.390 3.107 7 HG23 THR 72 HG23 THR 72 18.659 3.588 4.377 No H/Q in entry = 7 In of MODEL 4 1 HA PRO 73 HA PRO 73 14.951 -0.148 0.403 2 HB2 PRO 73 HB2 PRO 73 15.559 1.279 -1.951 3 HB3 PRO 73 HB3 PRO 73 13.932 0.873 -1.367 4 HG2 PRO 73 HG2 PRO 73 15.473 3.413 -1.085 5 HG3 PRO 73 HG3 PRO 73 13.733 3.181 -1.348 6 HD2 PRO 73 HD2 PRO 73 14.686 3.849 1.060 7 HD3 PRO 73 HD3 PRO 73 13.333 2.702 0.894 No H/Q in entry = 7 In of MODEL 4 1 H THR 74 H THR 74 16.492 -1.375 -0.619 2 HA THR 74 HA THR 74 19.167 -0.262 -0.969 3 HB THR 74 HB THR 74 20.268 -2.112 0.141 4 HG1 THR 74 HG1 THR 74 17.720 -3.046 0.969 5 HG21 THR 74 HG21 THR 74 19.632 -0.212 1.566 6 HG22 THR 74 HG22 THR 74 18.098 -1.007 1.925 7 HG23 THR 74 HG23 THR 74 19.614 -1.731 2.466 No H/Q in entry = 7 In of MODEL 4 1 H GLU 75 H GLU 75 20.577 -1.908 -2.175 2 HA GLU 75 HA GLU 75 19.395 -2.716 -4.550 3 HB2 GLU 75 HB2 GLU 75 21.901 -2.465 -3.831 4 HB3 GLU 75 HB3 GLU 75 21.788 -4.164 -3.485 5 HG2 GLU 75 HG2 GLU 75 22.415 -4.399 -5.594 6 HG3 GLU 75 HG3 GLU 75 20.741 -4.018 -5.966 No H/Q in entry = 6 In of MODEL 4 1 H LYS 76 H LYS 76 19.868 -4.458 -1.542 2 HA LYS 76 HA LYS 76 19.223 -6.985 -2.741 3 HB2 LYS 76 HB2 LYS 76 20.092 -6.139 0.005 4 HB3 LYS 76 HB3 LYS 76 19.616 -7.790 -0.351 5 HG2 LYS 76 HG2 LYS 76 21.521 -8.240 -1.465 6 HG3 LYS 76 HG3 LYS 76 21.624 -6.618 -2.152 7 HD2 LYS 76 HD2 LYS 76 22.500 -5.724 -0.141 8 HD3 LYS 76 HD3 LYS 76 22.155 -7.213 0.746 9 HE2 LYS 76 HE2 LYS 76 23.783 -8.406 -0.683 10 HE3 LYS 76 HE3 LYS 76 24.157 -6.887 -1.494 11 HZ1 LYS 76 HZ1 LYS 76 24.475 -7.234 1.432 12 HZ2 LYS 76 HZ2 LYS 76 25.711 -7.602 0.333 13 HZ3 LYS 76 HZ3 LYS 76 25.121 -6.020 0.439 No H/Q in entry = 13 In of MODEL 4 1 H ASP 77 H ASP 77 17.527 -4.553 -0.847 2 HA ASP 77 HA ASP 77 15.654 -6.642 0.005 3 HB2 ASP 77 HB2 ASP 77 14.806 -5.087 1.661 4 HB3 ASP 77 HB3 ASP 77 16.553 -5.124 1.761 No H/Q in entry = 4 In of MODEL 4 1 H GLU 78 H GLU 78 13.307 -5.798 0.168 2 HA GLU 78 HA GLU 78 12.444 -4.084 -1.953 3 HB2 GLU 78 HB2 GLU 78 12.699 -6.023 -3.328 4 HB3 GLU 78 HB3 GLU 78 12.065 -7.084 -2.081 5 HG2 GLU 78 HG2 GLU 78 10.141 -5.063 -3.020 6 HG3 GLU 78 HG3 GLU 78 10.668 -6.219 -4.250 No H/Q in entry = 6 In of MODEL 4 1 H TYR 79 H TYR 79 10.257 -3.501 -1.699 2 HA TYR 79 HA TYR 79 8.983 -4.485 0.732 3 HB2 TYR 79 HB2 TYR 79 8.793 -1.648 -0.337 4 HB3 TYR 79 HB3 TYR 79 8.118 -2.257 1.168 5 HD1 TYR 79 HD1 TYR 79 11.427 -1.888 -0.541 6 HD2 TYR 79 HD2 TYR 79 9.305 -1.923 3.150 7 HE1 TYR 79 HE1 TYR 79 13.490 -1.290 0.645 8 HE2 TYR 79 HE2 TYR 79 11.375 -1.321 4.342 9 HH TYR 79 HH TYR 79 14.327 -0.504 2.646 No H/Q in entry = 9 In of MODEL 4 1 H ALA 80 H ALA 80 6.726 -4.776 0.657 2 HA ALA 80 HA ALA 80 5.588 -4.619 -2.061 3 HB1 ALA 80 HB1 ALA 80 4.823 -6.805 -2.044 4 HB2 ALA 80 HB2 ALA 80 6.435 -6.944 -1.341 5 HB3 ALA 80 HB3 ALA 80 5.009 -6.966 -0.303 No H/Q in entry = 5 In of MODEL 4 1 H CYS 81 H CYS 81 3.181 -4.801 -2.088 2 HA CYS 81 HA CYS 81 2.017 -3.744 0.403 3 HB2 CYS 81 HB2 CYS 81 1.573 -3.108 -2.470 4 HB3 CYS 81 HB3 CYS 81 0.167 -3.080 -1.412 No H/Q in entry = 4 In of MODEL 4 1 H ARG 82 H ARG 82 0.472 -4.924 1.365 2 HA ARG 82 HA ARG 82 -0.757 -7.171 -0.124 3 HB2 ARG 82 HB2 ARG 82 0.788 -7.692 1.885 4 HB3 ARG 82 HB3 ARG 82 -0.484 -6.975 2.862 5 HG2 ARG 82 HG2 ARG 82 -1.998 -8.691 1.611 6 HG3 ARG 82 HG3 ARG 82 -0.472 -9.536 1.366 7 HD2 ARG 82 HD2 ARG 82 -1.781 -8.773 3.954 8 HD3 ARG 82 HD3 ARG 82 -1.420 -10.390 3.370 9 HE ARG 82 HE ARG 82 0.636 -8.449 4.235 10 HH11 ARG 82 HH11 ARG 82 -0.642 -11.713 4.038 11 HH12 ARG 82 HH12 ARG 82 0.671 -12.417 4.943 12 HH21 ARG 82 HH21 ARG 82 2.309 -9.337 5.454 13 HH22 ARG 82 HH22 ARG 82 2.366 -11.055 5.753 No H/Q in entry = 13 In of MODEL 4 1 H VAL 83 H VAL 83 -3.005 -7.251 -0.110 2 HA VAL 83 HA VAL 83 -4.336 -5.640 1.967 3 HB VAL 83 HB VAL 83 -5.883 -4.626 0.600 4 HG11 VAL 83 HG11 VAL 83 -3.352 -4.735 -0.978 5 HG12 VAL 83 HG12 VAL 83 -4.651 -3.572 -1.234 6 HG13 VAL 83 HG13 VAL 83 -3.778 -3.599 0.302 7 HG21 VAL 83 HG21 VAL 83 -5.149 -6.508 -1.625 8 HG22 VAL 83 HG22 VAL 83 -6.618 -6.569 -0.653 9 HG23 VAL 83 HG23 VAL 83 -6.328 -5.203 -1.731 No H/Q in entry = 9 In of MODEL 4 1 H ASN 84 H ASN 84 -6.092 -6.473 2.844 2 HA ASN 84 HA ASN 84 -6.987 -9.113 1.918 3 HB2 ASN 84 HB2 ASN 84 -7.099 -8.057 4.760 4 HB3 ASN 84 HB3 ASN 84 -7.455 -9.693 4.230 5 HD21 ASN 84 HD21 ASN 84 -4.898 -7.343 4.706 6 HD22 ASN 84 HD22 ASN 84 -3.609 -8.494 4.798 No H/Q in entry = 6 In of MODEL 4 1 H HIS 85 H HIS 85 -9.023 -9.033 1.082 2 HA HIS 85 HA HIS 85 -11.028 -7.605 2.644 3 HB2 HIS 85 HB2 HIS 85 -10.186 -6.267 0.552 4 HB3 HIS 85 HB3 HIS 85 -11.129 -7.443 -0.353 5 HD2 HIS 85 HD2 HIS 85 -11.782 -4.701 2.422 6 HE1 HIS 85 HE1 HIS 85 -15.346 -5.520 0.281 7 HE2 HIS 85 HE2 HIS 85 -14.227 -3.967 1.936 No H/Q in entry = 7 In of MODEL 4 1 H VAL 86 H VAL 86 -13.249 -8.333 1.969 2 HA VAL 86 HA VAL 86 -13.304 -11.164 1.989 3 HB VAL 86 HB VAL 86 -15.721 -10.975 2.007 4 HG11 VAL 86 HG11 VAL 86 -14.551 -10.548 4.093 5 HG12 VAL 86 HG12 VAL 86 -14.422 -8.836 3.687 6 HG13 VAL 86 HG13 VAL 86 -16.005 -9.555 3.982 7 HG21 VAL 86 HG21 VAL 86 -15.950 -9.226 0.301 8 HG22 VAL 86 HG22 VAL 86 -16.866 -8.842 1.759 9 HG23 VAL 86 HG23 VAL 86 -15.329 -8.037 1.446 No H/Q in entry = 9 In of MODEL 4 1 H THR 87 H THR 87 -13.336 -8.836 -0.576 2 HA THR 87 HA THR 87 -14.695 -10.447 -2.482 3 HB THR 87 HB THR 87 -13.914 -8.841 -4.130 4 HG1 THR 87 HG1 THR 87 -11.804 -8.470 -3.529 5 HG21 THR 87 HG21 THR 87 -15.750 -8.147 -2.645 6 HG22 THR 87 HG22 THR 87 -14.570 -7.439 -1.541 7 HG23 THR 87 HG23 THR 87 -14.766 -6.777 -3.163 No H/Q in entry = 7 In of MODEL 4 1 H LEU 88 H LEU 88 -11.328 -9.851 -1.676 2 HA LEU 88 HA LEU 88 -10.315 -11.398 -3.861 3 HB2 LEU 88 HB2 LEU 88 -8.942 -10.297 -1.396 4 HB3 LEU 88 HB3 LEU 88 -8.108 -11.072 -2.730 5 HG LEU 88 HG LEU 88 -9.614 -8.456 -2.798 6 HD11 LEU 88 HD11 LEU 88 -7.338 -8.372 -1.846 7 HD12 LEU 88 HD12 LEU 88 -6.714 -9.090 -3.335 8 HD13 LEU 88 HD13 LEU 88 -7.464 -7.492 -3.379 9 HD21 LEU 88 HD21 LEU 88 -10.054 -9.717 -4.841 10 HD22 LEU 88 HD22 LEU 88 -9.017 -8.327 -5.158 11 HD23 LEU 88 HD23 LEU 88 -8.321 -9.946 -5.078 No H/Q in entry = 11 In of MODEL 4 1 H SER 89 H SER 89 -10.384 -13.552 -3.892 2 HA SER 89 HA SER 89 -11.131 -15.069 -1.612 3 HB2 SER 89 HB2 SER 89 -10.879 -17.016 -3.114 4 HB3 SER 89 HB3 SER 89 -11.786 -15.717 -3.882 5 HG SER 89 HG SER 89 -9.425 -16.847 -4.613 No H/Q in entry = 5 In of MODEL 4 1 H GLN 90 H GLN 90 -8.171 -13.868 -2.697 2 HA GLN 90 HA GLN 90 -6.757 -15.173 -0.536 3 HB2 GLN 90 HB2 GLN 90 -5.402 -14.823 -3.213 4 HB3 GLN 90 HB3 GLN 90 -4.880 -15.795 -1.849 5 HG2 GLN 90 HG2 GLN 90 -6.444 -17.496 -2.341 6 HG3 GLN 90 HG3 GLN 90 -7.300 -16.455 -3.491 7 HE21 GLN 90 HE21 GLN 90 -7.071 -17.971 -5.135 8 HE22 GLN 90 HE22 GLN 90 -5.557 -18.254 -5.920 No H/Q in entry = 8 In of MODEL 4 1 HA PRO 91 HA PRO 91 -5.934 -10.672 -0.101 2 HB2 PRO 91 HB2 PRO 91 -3.467 -11.919 1.098 3 HB3 PRO 91 HB3 PRO 91 -4.383 -10.490 1.630 4 HG2 PRO 91 HG2 PRO 91 -4.776 -12.764 2.875 5 HG3 PRO 91 HG3 PRO 91 -6.181 -11.773 2.394 6 HD2 PRO 91 HD2 PRO 91 -5.090 -14.292 1.151 7 HD3 PRO 91 HD3 PRO 91 -6.799 -13.786 1.342 No H/Q in entry = 7 In of MODEL 4 1 H LYS 92 H LYS 92 -4.364 -9.182 -0.955 2 HA LYS 92 HA LYS 92 -3.120 -10.390 -3.336 3 HB2 LYS 92 HB2 LYS 92 -5.159 -8.919 -3.642 4 HB3 LYS 92 HB3 LYS 92 -4.129 -7.576 -3.143 5 HG2 LYS 92 HG2 LYS 92 -4.209 -7.880 -5.599 6 HG3 LYS 92 HG3 LYS 92 -2.581 -8.065 -4.915 7 HD2 LYS 92 HD2 LYS 92 -2.478 -10.096 -5.808 8 HD3 LYS 92 HD3 LYS 92 -3.759 -10.573 -4.716 9 HE2 LYS 92 HE2 LYS 92 -4.386 -11.148 -6.974 10 HE3 LYS 92 HE3 LYS 92 -5.446 -9.891 -6.331 11 HZ1 LYS 92 HZ1 LYS 92 -3.986 -8.270 -7.542 12 HZ2 LYS 92 HZ2 LYS 92 -3.258 -9.593 -8.310 13 HZ3 LYS 92 HZ3 LYS 92 -4.912 -9.291 -8.527 No H/Q in entry = 13 In of MODEL 4 1 H ILE 93 H ILE 93 -1.020 -10.100 -3.587 2 HA ILE 93 HA ILE 93 0.264 -7.901 -2.113 3 HB ILE 93 HB ILE 93 1.472 -10.521 -2.984 4 HG12 ILE 93 HG12 ILE 93 1.988 -10.570 -0.431 5 HG13 ILE 93 HG13 ILE 93 0.701 -9.383 -0.317 6 HG21 ILE 93 HG21 ILE 93 3.057 -8.703 -3.304 7 HG22 ILE 93 HG22 ILE 93 2.815 -8.194 -1.632 8 HG23 ILE 93 HG23 ILE 93 3.554 -9.757 -1.977 9 HD11 ILE 93 HD11 ILE 93 -0.841 -10.978 -1.334 10 HD12 ILE 93 HD12 ILE 93 0.456 -12.167 -1.422 11 HD13 ILE 93 HD13 ILE 93 -0.120 -11.604 0.146 No H/Q in entry = 11 In of MODEL 4 1 H VAL 94 H VAL 94 1.116 -6.370 -3.275 2 HA VAL 94 HA VAL 94 2.044 -6.975 -5.995 3 HB VAL 94 HB VAL 94 0.708 -4.424 -5.061 4 HG11 VAL 94 HG11 VAL 94 2.588 -3.914 -6.533 5 HG12 VAL 94 HG12 VAL 94 1.977 -5.060 -7.725 6 HG13 VAL 94 HG13 VAL 94 1.053 -3.607 -7.348 7 HG21 VAL 94 HG21 VAL 94 -0.847 -6.236 -5.580 8 HG22 VAL 94 HG22 VAL 94 -0.947 -4.957 -6.789 9 HG23 VAL 94 HG23 VAL 94 -0.085 -6.450 -7.155 No H/Q in entry = 9 In of MODEL 4 1 H LYS 95 H LYS 95 4.102 -6.564 -6.293 2 HA LYS 95 HA LYS 95 5.631 -5.692 -4.002 3 HB2 LYS 95 HB2 LYS 95 7.330 -6.900 -4.908 4 HB3 LYS 95 HB3 LYS 95 6.071 -7.558 -5.929 5 HG2 LYS 95 HG2 LYS 95 6.610 -6.008 -7.683 6 HG3 LYS 95 HG3 LYS 95 7.810 -5.223 -6.660 7 HD2 LYS 95 HD2 LYS 95 8.086 -8.112 -6.887 8 HD3 LYS 95 HD3 LYS 95 8.300 -7.270 -8.417 9 HE2 LYS 95 HE2 LYS 95 10.442 -7.062 -7.794 10 HE3 LYS 95 HE3 LYS 95 9.906 -5.837 -6.652 11 HZ1 LYS 95 HZ1 LYS 95 10.112 -8.745 -6.065 12 HZ2 LYS 95 HZ2 LYS 95 11.264 -7.585 -5.622 13 HZ3 LYS 95 HZ3 LYS 95 9.706 -7.533 -4.951 No H/Q in entry = 13 In of MODEL 4 1 H TRP 96 H TRP 96 7.067 -3.957 -3.976 2 HA TRP 96 HA TRP 96 6.285 -1.756 -5.708 3 HB2 TRP 96 HB2 TRP 96 6.425 -1.304 -3.301 4 HB3 TRP 96 HB3 TRP 96 8.109 -1.828 -3.269 5 HD1 TRP 96 HD1 TRP 96 5.925 1.003 -4.752 6 HE1 TRP 96 HE1 TRP 96 7.407 3.072 -5.054 7 HE3 TRP 96 HE3 TRP 96 10.430 -1.025 -3.424 8 HZ2 TRP 96 HZ2 TRP 96 10.133 3.770 -4.755 9 HZ3 TRP 96 HZ3 TRP 96 12.427 0.404 -3.454 10 HH2 TRP 96 HH2 TRP 96 12.276 2.770 -4.114 No H/Q in entry = 10 In of MODEL 4 1 H ASP 97 H ASP 97 7.487 -0.976 -7.278 2 HA ASP 97 HA ASP 97 10.306 -1.739 -7.477 3 HB2 ASP 97 HB2 ASP 97 10.127 -2.207 -9.844 4 HB3 ASP 97 HB3 ASP 97 8.959 -3.223 -8.991 No H/Q in entry = 4 In of MODEL 4 1 H ARG 98 H ARG 98 11.530 -0.269 -8.809 2 HA ARG 98 HA ARG 98 10.255 2.363 -8.904 3 HB2 ARG 98 HB2 ARG 98 12.392 3.326 -8.482 4 HB3 ARG 98 HB3 ARG 98 12.182 2.016 -7.345 5 HG2 ARG 98 HG2 ARG 98 14.219 1.368 -7.935 6 HG3 ARG 98 HG3 ARG 98 13.474 0.789 -9.424 7 HD2 ARG 98 HD2 ARG 98 15.420 2.168 -9.923 8 HD3 ARG 98 HD3 ARG 98 13.941 2.950 -10.489 9 HE ARG 98 HE ARG 98 14.927 3.728 -7.859 10 HH11 ARG 98 HH11 ARG 98 14.719 4.463 -11.275 11 HH12 ARG 98 HH12 ARG 98 15.055 6.148 -11.064 12 HH21 ARG 98 HH21 ARG 98 15.376 5.953 -7.570 13 HH22 ARG 98 HH22 ARG 98 15.442 6.997 -8.959 No H/Q in entry = 13 In of MODEL 4 1 H ASP 99 H ASP 99 11.898 -0.058 -10.703 2 HA ASP 99 HA ASP 99 11.244 1.226 -13.193 3 HB2 ASP 99 HB2 ASP 99 13.400 2.353 -12.274 4 HB3 ASP 99 HB3 ASP 99 14.190 0.845 -12.717 No H/Q in entry = 4 In of MODEL 4 1 H MET 100 H MET 100 12.368 -1.377 -11.310 2 HA MET 100 HA MET 100 13.321 -3.417 -11.745 3 HB2 MET 100 HB2 MET 100 11.121 -3.374 -13.814 4 HB3 MET 100 HB3 MET 100 11.833 -4.805 -13.067 5 HG2 MET 100 HG2 MET 100 10.942 -4.276 -10.960 6 HG3 MET 100 HG3 MET 100 10.510 -2.632 -11.471 7 HE1 MET 100 HE1 MET 100 8.534 -2.123 -13.178 8 HE2 MET 100 HE2 MET 100 9.215 -3.234 -14.367 9 HE3 MET 100 HE3 MET 100 7.514 -3.356 -13.919 No H/Q in entry = 9 In of MODEL 5 1 HA ILE 2 HA ILE 2 -22.976 -8.259 -3.470 2 HB ILE 2 HB ILE 2 -21.197 -9.536 -4.809 3 HG12 ILE 2 HG12 ILE 2 -22.027 -7.533 -6.932 4 HG13 ILE 2 HG13 ILE 2 -20.415 -7.682 -6.237 5 HG21 ILE 2 HG21 ILE 2 -23.922 -9.032 -5.984 6 HG22 ILE 2 HG22 ILE 2 -22.890 -10.410 -6.365 7 HG23 ILE 2 HG23 ILE 2 -23.510 -10.199 -4.727 8 HD11 ILE 2 HD11 ILE 2 -21.815 -9.785 -7.873 9 HD12 ILE 2 HD12 ILE 2 -20.548 -8.699 -8.441 10 HD13 ILE 2 HD13 ILE 2 -20.190 -9.900 -7.200 No H/Q in entry = 10 In of MODEL 5 1 H GLN 3 H GLN 3 -20.148 -6.804 -5.123 2 HA GLN 3 HA GLN 3 -19.152 -5.340 -3.009 3 HB2 GLN 3 HB2 GLN 3 -18.878 -7.887 -2.209 4 HB3 GLN 3 HB3 GLN 3 -17.445 -7.796 -3.216 5 HG2 GLN 3 HG2 GLN 3 -16.728 -7.293 -1.006 6 HG3 GLN 3 HG3 GLN 3 -16.783 -5.752 -1.875 7 HE21 GLN 3 HE21 GLN 3 -17.006 -4.590 0.062 8 HE22 GLN 3 HE22 GLN 3 -18.491 -4.579 0.945 No H/Q in entry = 8 In of MODEL 5 1 H ARG 4 H ARG 4 -16.833 -4.606 -3.575 2 HA ARG 4 HA ARG 4 -16.311 -5.060 -6.441 3 HB2 ARG 4 HB2 ARG 4 -17.188 -2.885 -6.404 4 HB3 ARG 4 HB3 ARG 4 -16.376 -2.478 -4.906 5 HG2 ARG 4 HG2 ARG 4 -14.301 -2.114 -5.959 6 HG3 ARG 4 HG3 ARG 4 -14.783 -3.015 -7.405 7 HD2 ARG 4 HD2 ARG 4 -14.865 -0.233 -7.034 8 HD3 ARG 4 HD3 ARG 4 -15.557 -1.158 -8.369 9 HE ARG 4 HE ARG 4 -17.627 -1.288 -6.961 10 HH11 ARG 4 HH11 ARG 4 -15.356 1.375 -6.642 11 HH12 ARG 4 HH12 ARG 4 -16.542 2.461 -5.987 12 HH21 ARG 4 HH21 ARG 4 -19.190 0.159 -6.152 13 HH22 ARG 4 HH22 ARG 4 -18.722 1.779 -5.716 No H/Q in entry = 13 In of MODEL 5 1 H THR 5 H THR 5 -14.196 -5.348 -7.063 2 HA THR 5 HA THR 5 -12.521 -6.332 -4.966 3 HB THR 5 HB THR 5 -11.033 -7.155 -6.700 4 HG1 THR 5 HG1 THR 5 -11.348 -5.207 -8.070 5 HG21 THR 5 HG21 THR 5 -13.968 -7.524 -7.205 6 HG22 THR 5 HG22 THR 5 -12.752 -8.346 -8.182 7 HG23 THR 5 HG23 THR 5 -12.819 -8.623 -6.446 No H/Q in entry = 7 In of MODEL 5 1 HA PRO 6 HA PRO 6 -10.244 -2.498 -4.675 2 HB2 PRO 6 HB2 PRO 6 -8.698 -3.737 -2.565 3 HB3 PRO 6 HB3 PRO 6 -9.873 -2.425 -2.445 4 HG2 PRO 6 HG2 PRO 6 -10.265 -4.952 -1.429 5 HG3 PRO 6 HG3 PRO 6 -11.575 -3.829 -1.862 6 HD2 PRO 6 HD2 PRO 6 -10.507 -6.194 -3.369 7 HD3 PRO 6 HD3 PRO 6 -12.170 -5.565 -3.253 No H/Q in entry = 7 In of MODEL 5 1 H LYS 7 H LYS 7 -8.493 -1.993 -5.823 2 HA LYS 7 HA LYS 7 -6.776 -4.223 -6.654 3 HB2 LYS 7 HB2 LYS 7 -8.090 -2.963 -8.407 4 HB3 LYS 7 HB3 LYS 7 -7.155 -1.532 -8.006 5 HG2 LYS 7 HG2 LYS 7 -5.129 -2.578 -8.767 6 HG3 LYS 7 HG3 LYS 7 -5.971 -4.109 -9.024 7 HD2 LYS 7 HD2 LYS 7 -7.385 -3.025 -10.720 8 HD3 LYS 7 HD3 LYS 7 -6.510 -1.515 -10.475 9 HE2 LYS 7 HE2 LYS 7 -5.265 -4.100 -11.409 10 HE3 LYS 7 HE3 LYS 7 -5.760 -2.781 -12.467 11 HZ1 LYS 7 HZ1 LYS 7 -4.212 -1.338 -11.179 12 HZ2 LYS 7 HZ2 LYS 7 -3.635 -2.725 -10.398 13 HZ3 LYS 7 HZ3 LYS 7 -3.448 -2.554 -12.076 No H/Q in entry = 13 In of MODEL 5 1 H ILE 8 H ILE 8 -4.493 -3.739 -6.949 2 HA ILE 8 HA ILE 8 -3.646 -2.269 -4.553 3 HB ILE 8 HB ILE 8 -1.863 -4.125 -6.093 4 HG12 ILE 8 HG12 ILE 8 -3.876 -5.422 -5.733 5 HG13 ILE 8 HG13 ILE 8 -2.637 -5.963 -4.613 6 HG21 ILE 8 HG21 ILE 8 -0.870 -2.760 -4.344 7 HG22 ILE 8 HG22 ILE 8 -2.056 -3.358 -3.182 8 HG23 ILE 8 HG23 ILE 8 -0.866 -4.460 -3.876 9 HD11 ILE 8 HD11 ILE 8 -3.684 -4.658 -2.838 10 HD12 ILE 8 HD12 ILE 8 -4.944 -4.155 -3.965 11 HD13 ILE 8 HD13 ILE 8 -4.781 -5.857 -3.526 No H/Q in entry = 11 In of MODEL 5 1 H GLN 9 H GLN 9 -2.870 -0.310 -4.875 2 HA GLN 9 HA GLN 9 -0.987 0.055 -7.101 3 HB2 GLN 9 HB2 GLN 9 -2.918 1.975 -5.816 4 HB3 GLN 9 HB3 GLN 9 -1.536 2.545 -6.764 5 HG2 GLN 9 HG2 GLN 9 -2.386 1.409 -8.718 6 HG3 GLN 9 HG3 GLN 9 -3.706 0.715 -7.776 7 HE21 GLN 9 HE21 GLN 9 -3.756 2.456 -10.138 8 HE22 GLN 9 HE22 GLN 9 -4.702 3.839 -9.679 No H/Q in entry = 8 In of MODEL 5 1 H VAL 10 H VAL 10 1.020 0.113 -6.399 2 HA VAL 10 HA VAL 10 1.637 1.505 -3.907 3 HB VAL 10 HB VAL 10 1.628 -0.686 -3.046 4 HG11 VAL 10 HG11 VAL 10 1.495 -1.814 -5.259 5 HG12 VAL 10 HG12 VAL 10 3.248 -1.679 -5.378 6 HG13 VAL 10 HG13 VAL 10 2.519 -2.627 -4.077 7 HG21 VAL 10 HG21 VAL 10 4.464 -0.042 -3.852 8 HG22 VAL 10 HG22 VAL 10 3.634 0.460 -2.375 9 HG23 VAL 10 HG23 VAL 10 4.016 -1.244 -2.643 No H/Q in entry = 9 In of MODEL 5 1 H TYR 11 H TYR 11 3.320 2.749 -3.987 2 HA TYR 11 HA TYR 11 5.505 2.459 -5.783 3 HB2 TYR 11 HB2 TYR 11 5.040 4.531 -7.109 4 HB3 TYR 11 HB3 TYR 11 3.895 3.244 -7.431 5 HD1 TYR 11 HD1 TYR 11 4.340 6.505 -5.756 6 HD2 TYR 11 HD2 TYR 11 1.577 3.504 -6.966 7 HE1 TYR 11 HE1 TYR 11 2.478 8.042 -5.302 8 HE2 TYR 11 HE2 TYR 11 -0.292 5.033 -6.510 9 HH TYR 11 HH TYR 11 -0.755 7.018 -5.149 No H/Q in entry = 9 In of MODEL 5 1 H SER 12 H SER 12 6.774 4.746 -5.664 2 HA SER 12 HA SER 12 6.838 5.251 -2.784 3 HB2 SER 12 HB2 SER 12 8.924 4.569 -4.076 4 HB3 SER 12 HB3 SER 12 8.875 6.170 -4.809 5 HG SER 12 HG SER 12 8.792 5.873 -2.007 No H/Q in entry = 5 In of MODEL 5 1 H ARG 13 H ARG 13 6.774 7.327 -1.894 2 HA ARG 13 HA ARG 13 5.061 9.227 -3.045 3 HB2 ARG 13 HB2 ARG 13 6.016 8.945 -0.611 4 HB3 ARG 13 HB3 ARG 13 7.298 10.003 -1.161 5 HG2 ARG 13 HG2 ARG 13 4.369 10.660 -0.939 6 HG3 ARG 13 HG3 ARG 13 5.671 11.271 0.064 7 HD2 ARG 13 HD2 ARG 13 5.571 13.036 -1.331 8 HD3 ARG 13 HD3 ARG 13 6.502 11.998 -2.397 9 HE ARG 13 HE ARG 13 3.969 11.333 -3.019 10 HH11 ARG 13 HH11 ARG 13 5.616 14.415 -2.775 11 HH12 ARG 13 HH12 ARG 13 4.656 15.170 -4.019 12 HH21 ARG 13 HH21 ARG 13 2.719 12.302 -4.641 13 HH22 ARG 13 HH22 ARG 13 3.008 13.951 -5.100 No H/Q in entry = 13 In of MODEL 5 1 H HIS 14 H HIS 14 8.586 9.143 -3.006 2 HA HIS 14 HA HIS 14 8.634 11.094 -5.197 3 HB2 HIS 14 HB2 HIS 14 9.710 11.423 -2.516 4 HB3 HIS 14 HB3 HIS 14 11.004 11.493 -3.708 5 HD2 HIS 14 HD2 HIS 14 7.419 13.083 -4.063 6 HE1 HIS 14 HE1 HIS 14 10.379 16.093 -4.314 7 HE2 HIS 14 HE2 HIS 14 7.894 15.633 -4.196 No H/Q in entry = 7 In of MODEL 5 1 HA PRO 15 HA PRO 15 11.741 8.556 -7.267 2 HB2 PRO 15 HB2 PRO 15 14.213 9.829 -6.744 3 HB3 PRO 15 HB3 PRO 15 13.197 10.019 -8.186 4 HG2 PRO 15 HG2 PRO 15 13.430 11.800 -5.781 5 HG3 PRO 15 HG3 PRO 15 13.041 12.211 -7.484 6 HD2 PRO 15 HD2 PRO 15 11.146 12.166 -5.549 7 HD3 PRO 15 HD3 PRO 15 10.791 11.679 -7.234 No H/Q in entry = 7 In of MODEL 5 1 H ALA 16 H ALA 16 12.828 6.756 -6.735 2 HA ALA 16 HA ALA 16 13.287 6.280 -3.900 3 HB1 ALA 16 HB1 ALA 16 11.899 4.701 -5.137 4 HB2 ALA 16 HB2 ALA 16 13.233 4.390 -6.248 5 HB3 ALA 16 HB3 ALA 16 13.369 3.921 -4.555 No H/Q in entry = 5 In of MODEL 5 1 H GLU 17 H GLU 17 15.301 6.338 -3.082 2 HA GLU 17 HA GLU 17 17.534 5.908 -4.931 3 HB2 GLU 17 HB2 GLU 17 17.000 8.274 -3.844 4 HB3 GLU 17 HB3 GLU 17 17.825 7.578 -2.461 5 HG2 GLU 17 HG2 GLU 17 19.099 7.613 -5.165 6 HG3 GLU 17 HG3 GLU 17 19.159 9.014 -4.115 No H/Q in entry = 6 In of MODEL 5 1 H ASN 18 H ASN 18 18.819 4.294 -4.450 2 HA ASN 18 HA ASN 18 18.295 2.680 -2.132 3 HB2 ASN 18 HB2 ASN 18 18.770 1.331 -3.925 4 HB3 ASN 18 HB3 ASN 18 20.017 2.407 -4.563 5 HD21 ASN 18 HD21 ASN 18 21.592 0.889 -4.812 6 HD22 ASN 18 HD22 ASN 18 22.324 0.031 -3.492 No H/Q in entry = 6 In of MODEL 5 1 H GLY 19 H GLY 19 19.271 2.659 -0.250 2 HA2 GLY 19 HA2 GLY 19 21.901 3.855 0.116 3 HA3 GLY 19 HA3 GLY 19 20.912 3.064 1.356 No H/Q in entry = 3 In of MODEL 5 1 H LYS 20 H LYS 20 18.584 4.696 0.347 2 HA LYS 20 HA LYS 20 19.261 7.215 1.695 3 HB2 LYS 20 HB2 LYS 20 19.280 7.303 -0.867 4 HB3 LYS 20 HB3 LYS 20 17.550 7.038 -0.772 5 HG2 LYS 20 HG2 LYS 20 18.026 9.379 -1.034 6 HG3 LYS 20 HG3 LYS 20 17.297 9.094 0.533 7 HD2 LYS 20 HD2 LYS 20 19.316 9.420 1.606 8 HD3 LYS 20 HD3 LYS 20 20.254 9.193 0.145 9 HE2 LYS 20 HE2 LYS 20 18.435 11.531 0.743 10 HE3 LYS 20 HE3 LYS 20 20.200 11.559 0.811 11 HZ1 LYS 20 HZ1 LYS 20 20.259 11.044 -1.555 12 HZ2 LYS 20 HZ2 LYS 20 18.569 11.027 -1.610 13 HZ3 LYS 20 HZ3 LYS 20 19.383 12.468 -1.269 No H/Q in entry = 13 In of MODEL 5 1 H SER 21 H SER 21 17.534 8.277 2.635 2 HA SER 21 HA SER 21 15.397 6.578 3.523 3 HB2 SER 21 HB2 SER 21 15.986 9.494 4.002 4 HB3 SER 21 HB3 SER 21 14.718 8.580 4.815 5 HG SER 21 HG SER 21 16.163 7.721 6.088 No H/Q in entry = 5 In of MODEL 5 1 H ASN 22 H ASN 22 13.334 6.610 2.895 2 HA ASN 22 HA ASN 22 12.396 8.595 0.976 3 HB2 ASN 22 HB2 ASN 22 13.231 5.908 0.210 4 HB3 ASN 22 HB3 ASN 22 11.518 6.142 -0.126 5 HD21 ASN 22 HD21 ASN 22 10.900 7.638 -1.682 6 HD22 ASN 22 HD22 ASN 22 12.027 8.325 -2.800 No H/Q in entry = 6 In of MODEL 5 1 H PHE 23 H PHE 23 9.996 7.934 0.380 2 HA PHE 23 HA PHE 23 8.711 6.895 2.810 3 HB2 PHE 23 HB2 PHE 23 7.965 9.271 1.108 4 HB3 PHE 23 HB3 PHE 23 6.795 8.478 2.148 5 HD1 PHE 23 HD1 PHE 23 6.493 9.285 4.258 6 HD2 PHE 23 HD2 PHE 23 10.192 10.021 2.294 7 HE1 PHE 23 HE1 PHE 23 7.192 10.718 6.130 8 HE2 PHE 23 HE2 PHE 23 10.906 11.450 4.167 9 HZ PHE 23 HZ PHE 23 9.403 11.793 6.090 No H/Q in entry = 9 In of MODEL 5 1 H LEU 24 H LEU 24 7.267 5.314 2.468 2 HA LEU 24 HA LEU 24 6.819 4.420 -0.277 3 HB2 LEU 24 HB2 LEU 24 7.220 3.139 2.133 4 HB3 LEU 24 HB3 LEU 24 5.502 2.926 1.863 5 HG LEU 24 HG LEU 24 7.776 1.976 0.100 6 HD11 LEU 24 HD11 LEU 24 5.646 0.516 1.663 7 HD12 LEU 24 HD12 LEU 24 6.831 -0.240 0.597 8 HD13 LEU 24 HD13 LEU 24 7.363 0.600 2.053 9 HD21 LEU 24 HD21 LEU 24 4.810 1.828 -0.433 10 HD22 LEU 24 HD22 LEU 24 6.010 2.723 -1.370 11 HD23 LEU 24 HD23 LEU 24 6.055 0.957 -1.329 No H/Q in entry = 11 In of MODEL 5 1 H ASN 25 H ASN 25 4.695 3.969 -1.038 2 HA ASN 25 HA ASN 25 2.485 5.095 0.492 3 HB2 ASN 25 HB2 ASN 25 3.331 5.978 -2.256 4 HB3 ASN 25 HB3 ASN 25 1.643 6.065 -1.774 5 HD21 ASN 25 HD21 ASN 25 1.012 7.568 -0.242 6 HD22 ASN 25 HD22 ASN 25 2.042 8.849 0.296 No H/Q in entry = 6 In of MODEL 5 1 H CYS 26 H CYS 26 0.918 3.658 0.591 2 HA CYS 26 HA CYS 26 0.566 1.795 -1.657 3 HB2 CYS 26 HB2 CYS 26 1.445 0.892 0.618 4 HB3 CYS 26 HB3 CYS 26 -0.220 1.124 1.162 No H/Q in entry = 4 In of MODEL 5 1 H TYR 27 H TYR 27 -1.304 2.053 -2.638 2 HA TYR 27 HA TYR 27 -3.432 3.540 -1.245 3 HB2 TYR 27 HB2 TYR 27 -2.282 3.887 -3.999 4 HB3 TYR 27 HB3 TYR 27 -3.958 4.302 -3.698 5 HD1 TYR 27 HD1 TYR 27 -4.517 6.213 -2.232 6 HD2 TYR 27 HD2 TYR 27 -0.473 5.301 -3.220 7 HE1 TYR 27 HE1 TYR 27 -3.855 8.501 -1.638 8 HE2 TYR 27 HE2 TYR 27 0.192 7.577 -2.610 9 HH TYR 27 HH TYR 27 -1.804 9.697 -0.904 No H/Q in entry = 9 In of MODEL 5 1 H VAL 28 H VAL 28 -4.854 1.907 -0.844 2 HA VAL 28 HA VAL 28 -5.526 0.149 -3.098 3 HB VAL 28 HB VAL 28 -6.543 -0.303 -0.314 4 HG11 VAL 28 HG11 VAL 28 -5.931 -2.059 -2.677 5 HG12 VAL 28 HG12 VAL 28 -6.406 -2.675 -1.090 6 HG13 VAL 28 HG13 VAL 28 -7.517 -1.662 -2.011 7 HG21 VAL 28 HG21 VAL 28 -3.836 -1.157 -1.340 8 HG22 VAL 28 HG22 VAL 28 -4.149 -0.049 0.000 9 HG23 VAL 28 HG23 VAL 28 -4.597 -1.752 0.139 No H/Q in entry = 9 In of MODEL 5 1 H SER 29 H SER 29 -7.389 0.521 -4.161 2 HA SER 29 HA SER 29 -9.526 1.964 -2.798 3 HB2 SER 29 HB2 SER 29 -9.722 3.457 -4.864 4 HB3 SER 29 HB3 SER 29 -8.377 3.791 -3.774 5 HG SER 29 HG SER 29 -7.195 2.279 -5.281 No H/Q in entry = 5 In of MODEL 5 1 H GLY 30 H GLY 30 -11.521 2.087 -4.212 2 HA2 GLY 30 HA2 GLY 30 -11.805 0.070 -6.253 3 HA3 GLY 30 HA3 GLY 30 -13.080 1.096 -5.605 No H/Q in entry = 3 In of MODEL 5 1 H PHE 31 H PHE 31 -14.467 0.138 -4.029 2 HA PHE 31 HA PHE 31 -14.449 -2.256 -3.080 3 HB2 PHE 31 HB2 PHE 31 -13.139 -2.553 -1.108 4 HB3 PHE 31 HB3 PHE 31 -12.071 -2.063 -2.423 5 HD1 PHE 31 HD1 PHE 31 -13.755 -0.877 0.656 6 HD2 PHE 31 HD2 PHE 31 -10.714 -0.189 -2.235 7 HE1 PHE 31 HE1 PHE 31 -12.740 0.798 2.134 8 HE2 PHE 31 HE2 PHE 31 -9.700 1.501 -0.766 9 HZ PHE 31 HZ PHE 31 -10.710 1.977 1.425 No H/Q in entry = 9 In of MODEL 5 1 H HIS 32 H HIS 32 -15.309 -2.521 -0.743 2 HA HIS 32 HA HIS 32 -16.239 -0.206 0.610 3 HB2 HIS 32 HB2 HIS 32 -18.307 -1.869 -0.878 4 HB3 HIS 32 HB3 HIS 32 -18.706 -1.098 0.649 5 HD2 HIS 32 HD2 HIS 32 -18.474 -0.280 -3.068 6 HE1 HIS 32 HE1 HIS 32 -19.056 3.356 -0.982 7 HE2 HIS 32 HE2 HIS 32 -19.179 2.216 -3.245 No H/Q in entry = 7 In of MODEL 5 1 HA PRO 33 HA PRO 33 -18.164 -0.181 2.433 2 HB2 PRO 33 HB2 PRO 33 -17.253 -0.377 5.209 3 HB3 PRO 33 HB3 PRO 33 -18.895 -0.361 4.566 4 HG2 PRO 33 HG2 PRO 33 -17.830 -2.578 5.640 5 HG3 PRO 33 HG3 PRO 33 -18.946 -2.648 4.261 6 HD2 PRO 33 HD2 PRO 33 -15.951 -2.815 4.278 7 HD3 PRO 33 HD3 PRO 33 -17.125 -3.821 3.395 No H/Q in entry = 7 In of MODEL 5 1 H SER 34 H SER 34 -17.341 1.635 4.327 2 HA SER 34 HA SER 34 -15.187 3.030 3.234 3 HB2 SER 34 HB2 SER 34 -16.120 3.188 6.104 4 HB3 SER 34 HB3 SER 34 -15.236 4.437 5.223 5 HG SER 34 HG SER 34 -17.863 3.476 4.695 No H/Q in entry = 5 In of MODEL 5 1 H ASP 35 H ASP 35 -14.649 0.108 4.494 2 HA ASP 35 HA ASP 35 -12.069 0.895 5.634 3 HB2 ASP 35 HB2 ASP 35 -14.038 -1.031 6.860 4 HB3 ASP 35 HB3 ASP 35 -12.335 -0.996 7.303 No H/Q in entry = 4 In of MODEL 5 1 H ILE 36 H ILE 36 -10.399 -0.167 4.864 2 HA ILE 36 HA ILE 36 -10.689 -2.957 4.018 3 HB ILE 36 HB ILE 36 -10.498 -1.389 1.958 4 HG12 ILE 36 HG12 ILE 36 -8.800 -3.744 2.619 5 HG13 ILE 36 HG13 ILE 36 -10.111 -3.618 1.467 6 HG21 ILE 36 HG21 ILE 36 -7.677 -1.191 3.014 7 HG22 ILE 36 HG22 ILE 36 -8.210 -0.652 1.420 8 HG23 ILE 36 HG23 ILE 36 -8.824 0.141 2.868 9 HD11 ILE 36 HD11 ILE 36 -7.358 -2.480 1.096 10 HD12 ILE 36 HD12 ILE 36 -7.933 -3.995 0.409 11 HD13 ILE 36 HD13 ILE 36 -8.662 -2.468 -0.089 No H/Q in entry = 11 In of MODEL 5 1 H GLU 37 H GLU 37 -8.569 -4.154 4.293 2 HA GLU 37 HA GLU 37 -6.924 -2.770 6.286 3 HB2 GLU 37 HB2 GLU 37 -8.494 -4.973 6.740 4 HB3 GLU 37 HB3 GLU 37 -6.969 -5.716 6.277 5 HG2 GLU 37 HG2 GLU 37 -6.970 -5.541 8.636 6 HG3 GLU 37 HG3 GLU 37 -5.868 -4.297 8.037 No H/Q in entry = 6 In of MODEL 5 1 H VAL 38 H VAL 38 -4.980 -2.370 5.410 2 HA VAL 38 HA VAL 38 -3.821 -4.417 3.677 3 HB VAL 38 HB VAL 38 -4.015 -3.107 1.898 4 HG11 VAL 38 HG11 VAL 38 -5.750 -1.853 2.995 5 HG12 VAL 38 HG12 VAL 38 -4.549 -0.768 3.699 6 HG13 VAL 38 HG13 VAL 38 -4.785 -0.812 1.950 7 HG21 VAL 38 HG21 VAL 38 -2.043 -1.294 3.295 8 HG22 VAL 38 HG22 VAL 38 -1.652 -2.673 2.269 9 HG23 VAL 38 HG23 VAL 38 -2.427 -1.246 1.570 No H/Q in entry = 9 In of MODEL 5 1 H ASP 39 H ASP 39 -1.828 -4.880 3.961 2 HA ASP 39 HA ASP 39 -0.312 -3.476 6.077 3 HB2 ASP 39 HB2 ASP 39 -0.606 -6.455 5.655 4 HB3 ASP 39 HB3 ASP 39 0.563 -5.749 6.754 No H/Q in entry = 4 In of MODEL 5 1 H LEU 40 H LEU 40 1.957 -3.355 5.769 2 HA LEU 40 HA LEU 40 2.745 -3.795 2.987 3 HB2 LEU 40 HB2 LEU 40 4.227 -2.235 5.090 4 HB3 LEU 40 HB3 LEU 40 4.494 -2.205 3.358 5 HG LEU 40 HG LEU 40 2.114 -1.078 4.822 6 HD11 LEU 40 HD11 LEU 40 4.406 0.248 3.371 7 HD12 LEU 40 HD12 LEU 40 3.005 1.082 4.050 8 HD13 LEU 40 HD13 LEU 40 4.133 0.240 5.114 9 HD21 LEU 40 HD21 LEU 40 2.741 -1.185 1.887 10 HD22 LEU 40 HD22 LEU 40 1.340 -1.870 2.717 11 HD23 LEU 40 HD23 LEU 40 1.536 -0.115 2.605 No H/Q in entry = 11 In of MODEL 5 1 H LEU 41 H LEU 41 4.583 -4.931 2.460 2 HA LEU 41 HA LEU 41 5.646 -6.643 4.595 3 HB2 LEU 41 HB2 LEU 41 5.791 -7.355 1.710 4 HB3 LEU 41 HB3 LEU 41 5.897 -8.389 3.100 5 HG LEU 41 HG LEU 41 3.361 -7.025 2.225 6 HD11 LEU 41 HD11 LEU 41 4.131 -8.645 0.565 7 HD12 LEU 41 HD12 LEU 41 4.296 -9.866 1.826 8 HD13 LEU 41 HD13 LEU 41 2.704 -9.237 1.407 9 HD21 LEU 41 HD21 LEU 41 3.488 -7.530 4.610 10 HD22 LEU 41 HD22 LEU 41 2.326 -8.583 3.795 11 HD23 LEU 41 HD23 LEU 41 3.919 -9.198 4.234 No H/Q in entry = 11 In of MODEL 5 1 H LYS 42 H LYS 42 7.631 -7.761 3.756 2 HA LYS 42 HA LYS 42 9.572 -6.123 2.416 3 HB2 LYS 42 HB2 LYS 42 10.097 -6.996 5.253 4 HB3 LYS 42 HB3 LYS 42 11.268 -6.252 4.175 5 HG2 LYS 42 HG2 LYS 42 9.574 -4.285 4.019 6 HG3 LYS 42 HG3 LYS 42 8.836 -5.036 5.396 7 HD2 LYS 42 HD2 LYS 42 11.778 -4.287 5.425 8 HD3 LYS 42 HD3 LYS 42 10.491 -3.180 5.925 9 HE2 LYS 42 HE2 LYS 42 11.047 -4.087 7.940 10 HE3 LYS 42 HE3 LYS 42 9.794 -5.221 7.440 11 HZ1 LYS 42 HZ1 LYS 42 12.697 -5.662 6.999 12 HZ2 LYS 42 HZ2 LYS 42 11.830 -6.284 8.319 13 HZ3 LYS 42 HZ3 LYS 42 11.449 -6.774 6.744 No H/Q in entry = 13 In of MODEL 5 1 H ASN 43 H ASN 43 9.932 -7.574 0.966 2 HA ASN 43 HA ASN 43 10.672 -9.441 -0.100 3 HB2 ASN 43 HB2 ASN 43 11.742 -10.205 2.632 4 HB3 ASN 43 HB3 ASN 43 12.143 -11.046 1.139 5 HD21 ASN 43 HD21 ASN 43 12.697 -8.294 3.117 6 HD22 ASN 43 HD22 ASN 43 13.978 -7.594 2.184 No H/Q in entry = 6 In of MODEL 5 1 H GLY 44 H GLY 44 8.634 -9.706 2.622 2 HA2 GLY 44 HA2 GLY 44 7.832 -12.449 2.086 3 HA3 GLY 44 HA3 GLY 44 6.641 -11.205 1.673 No H/Q in entry = 3 In of MODEL 5 1 H GLU 45 H GLU 45 8.417 -10.050 4.176 2 HA GLU 45 HA GLU 45 6.812 -11.301 6.285 3 HB2 GLU 45 HB2 GLU 45 8.521 -10.665 7.781 4 HB3 GLU 45 HB3 GLU 45 9.354 -11.174 6.322 5 HG2 GLU 45 HG2 GLU 45 9.601 -8.860 5.633 6 HG3 GLU 45 HG3 GLU 45 8.810 -8.337 7.116 No H/Q in entry = 6 In of MODEL 5 1 H ARG 46 H ARG 46 5.753 -9.952 7.818 2 HA ARG 46 HA ARG 46 4.636 -7.598 6.712 3 HB2 ARG 46 HB2 ARG 46 4.355 -9.071 9.222 4 HB3 ARG 46 HB3 ARG 46 3.996 -7.382 9.393 5 HG2 ARG 46 HG2 ARG 46 2.473 -8.045 7.271 6 HG3 ARG 46 HG3 ARG 46 2.571 -9.614 8.064 7 HD2 ARG 46 HD2 ARG 46 1.563 -8.824 10.040 8 HD3 ARG 46 HD3 ARG 46 1.791 -7.141 9.592 9 HE ARG 46 HE ARG 46 0.005 -7.319 8.061 10 HH11 ARG 46 HH11 ARG 46 0.456 -10.214 9.986 11 HH12 ARG 46 HH12 ARG 46 -1.179 -10.767 9.753 12 HH21 ARG 46 HH21 ARG 46 -2.147 -8.012 7.798 13 HH22 ARG 46 HH22 ARG 46 -2.661 -9.511 8.536 No H/Q in entry = 13 In of MODEL 5 1 H ILE 47 H ILE 47 4.862 -5.457 7.234 2 HA ILE 47 HA ILE 47 7.198 -4.672 8.824 3 HB ILE 47 HB ILE 47 5.344 -2.928 7.183 4 HG12 ILE 47 HG12 ILE 47 8.107 -3.886 6.476 5 HG13 ILE 47 HG13 ILE 47 6.620 -4.537 5.772 6 HG21 ILE 47 HG21 ILE 47 8.026 -2.360 8.447 7 HG22 ILE 47 HG22 ILE 47 7.152 -1.256 7.386 8 HG23 ILE 47 HG23 ILE 47 6.466 -1.706 8.948 9 HD11 ILE 47 HD11 ILE 47 6.191 -2.015 5.186 10 HD12 ILE 47 HD12 ILE 47 7.934 -1.893 5.350 11 HD13 ILE 47 HD13 ILE 47 7.231 -3.002 4.165 No H/Q in entry = 11 In of MODEL 5 1 H GLU 48 H GLU 48 6.930 -3.522 10.720 2 HA GLU 48 HA GLU 48 4.144 -3.321 11.627 3 HB2 GLU 48 HB2 GLU 48 5.323 -3.125 13.942 4 HB3 GLU 48 HB3 GLU 48 5.113 -4.688 13.198 5 HG2 GLU 48 HG2 GLU 48 7.246 -4.714 14.022 6 HG3 GLU 48 HG3 GLU 48 7.467 -4.308 12.335 No H/Q in entry = 6 In of MODEL 5 1 H LYS 49 H LYS 49 7.114 -1.460 11.308 2 HA LYS 49 HA LYS 49 6.257 0.905 12.457 3 HB2 LYS 49 HB2 LYS 49 8.123 0.546 10.115 4 HB3 LYS 49 HB3 LYS 49 8.071 1.925 11.209 5 HG2 LYS 49 HG2 LYS 49 8.401 -0.625 12.577 6 HG3 LYS 49 HG3 LYS 49 9.707 -0.249 11.448 7 HD2 LYS 49 HD2 LYS 49 10.337 1.639 12.620 8 HD3 LYS 49 HD3 LYS 49 8.738 1.851 13.326 9 HE2 LYS 49 HE2 LYS 49 10.511 -0.467 14.062 10 HE3 LYS 49 HE3 LYS 49 10.606 1.090 14.887 11 HZ1 LYS 49 HZ1 LYS 49 8.187 0.848 15.346 12 HZ2 LYS 49 HZ2 LYS 49 8.270 -0.732 14.736 13 HZ3 LYS 49 HZ3 LYS 49 9.162 -0.308 16.116 No H/Q in entry = 13 In of MODEL 5 1 H VAL 50 H VAL 50 4.709 -0.527 9.968 2 HA VAL 50 HA VAL 50 4.130 1.598 8.207 3 HB VAL 50 HB VAL 50 2.342 -0.720 8.962 4 HG11 VAL 50 HG11 VAL 50 1.159 1.087 7.805 5 HG12 VAL 50 HG12 VAL 50 2.352 1.031 6.506 6 HG13 VAL 50 HG13 VAL 50 1.294 -0.352 6.788 7 HG21 VAL 50 HG21 VAL 50 4.541 -1.459 8.201 8 HG22 VAL 50 HG22 VAL 50 3.289 -1.849 7.027 9 HG23 VAL 50 HG23 VAL 50 4.364 -0.484 6.742 No H/Q in entry = 9 In of MODEL 5 1 H GLU 51 H GLU 51 2.602 3.175 8.228 2 HA GLU 51 HA GLU 51 0.722 3.233 10.475 3 HB2 GLU 51 HB2 GLU 51 2.297 5.614 9.474 4 HB3 GLU 51 HB3 GLU 51 1.044 5.648 10.711 5 HG2 GLU 51 HG2 GLU 51 2.416 4.251 12.156 6 HG3 GLU 51 HG3 GLU 51 3.673 4.201 10.917 No H/Q in entry = 6 In of MODEL 5 1 H HIS 52 H HIS 52 -1.232 4.066 10.028 2 HA HIS 52 HA HIS 52 -1.727 4.967 7.275 3 HB2 HIS 52 HB2 HIS 52 -4.137 4.418 7.705 4 HB3 HIS 52 HB3 HIS 52 -3.064 3.029 7.670 5 HD2 HIS 52 HD2 HIS 52 -2.523 1.934 10.308 6 HE1 HIS 52 HE1 HIS 52 -6.018 3.676 11.934 7 HE2 HIS 52 HE2 HIS 52 -4.267 1.865 12.224 No H/Q in entry = 7 In of MODEL 5 1 H SER 53 H SER 53 -2.284 7.012 6.973 2 HA SER 53 HA SER 53 -2.387 8.783 9.248 3 HB2 SER 53 HB2 SER 53 -1.180 9.299 7.090 4 HB3 SER 53 HB3 SER 53 -2.757 9.473 6.322 5 HG SER 53 HG SER 53 -1.513 11.086 8.273 No H/Q in entry = 5 In of MODEL 5 1 H ASP 54 H ASP 54 -4.114 10.764 8.357 2 HA ASP 54 HA ASP 54 -6.590 9.971 9.362 3 HB2 ASP 54 HB2 ASP 54 -5.731 12.335 9.105 4 HB3 ASP 54 HB3 ASP 54 -6.134 12.223 7.395 No H/Q in entry = 4 In of MODEL 5 1 H LEU 55 H LEU 55 -8.157 8.825 8.534 2 HA LEU 55 HA LEU 55 -8.049 7.196 6.409 3 HB2 LEU 55 HB2 LEU 55 -9.846 7.423 8.261 4 HB3 LEU 55 HB3 LEU 55 -10.692 8.442 7.119 5 HG LEU 55 HG LEU 55 -11.474 6.057 7.229 6 HD11 LEU 55 HD11 LEU 55 -11.969 7.436 5.286 7 HD12 LEU 55 HD12 LEU 55 -10.438 6.966 4.553 8 HD13 LEU 55 HD13 LEU 55 -11.691 5.758 4.825 9 HD21 LEU 55 HD21 LEU 55 -8.819 5.519 5.918 10 HD22 LEU 55 HD22 LEU 55 -9.328 4.977 7.517 11 HD23 LEU 55 HD23 LEU 55 -10.141 4.364 6.076 No H/Q in entry = 11 In of MODEL 5 1 H SER 56 H SER 56 -10.611 9.512 5.940 2 HA SER 56 HA SER 56 -9.603 11.280 4.111 3 HB2 SER 56 HB2 SER 56 -10.445 8.699 2.824 4 HB3 SER 56 HB3 SER 56 -10.787 10.218 2.001 5 HG SER 56 HG SER 56 -8.234 9.338 2.886 No H/Q in entry = 5 In of MODEL 5 1 H PHE 57 H PHE 57 -11.396 12.298 2.797 2 HA PHE 57 HA PHE 57 -14.066 11.393 3.587 3 HB2 PHE 57 HB2 PHE 57 -13.549 13.412 4.950 4 HB3 PHE 57 HB3 PHE 57 -13.301 14.327 3.462 5 HD1 PHE 57 HD1 PHE 57 -15.094 15.356 2.403 6 HD2 PHE 57 HD2 PHE 57 -15.833 12.339 5.304 7 HE1 PHE 57 HE1 PHE 57 -17.499 15.861 2.310 8 HE2 PHE 57 HE2 PHE 57 -18.243 12.836 5.215 9 HZ PHE 57 HZ PHE 57 -19.075 14.598 3.715 No H/Q in entry = 9 In of MODEL 5 1 H SER 58 H SER 58 -15.004 10.737 1.799 2 HA SER 58 HA SER 58 -14.266 12.017 -0.731 3 HB2 SER 58 HB2 SER 58 -14.014 9.511 -0.449 4 HB3 SER 58 HB3 SER 58 -15.772 9.420 -0.349 5 HG SER 58 HG SER 58 -14.826 9.079 -2.478 No H/Q in entry = 5 In of MODEL 5 1 H LYS 59 H LYS 59 -15.643 13.243 -1.753 2 HA LYS 59 HA LYS 59 -18.114 13.955 -0.528 3 HB2 LYS 59 HB2 LYS 59 -16.930 14.770 -3.181 4 HB3 LYS 59 HB3 LYS 59 -18.333 15.520 -2.433 5 HG2 LYS 59 HG2 LYS 59 -15.597 15.431 -1.177 6 HG3 LYS 59 HG3 LYS 59 -16.214 16.780 -2.134 7 HD2 LYS 59 HD2 LYS 59 -17.472 15.710 0.390 8 HD3 LYS 59 HD3 LYS 59 -16.465 17.156 0.285 9 HE2 LYS 59 HE2 LYS 59 -19.109 16.711 -1.098 10 HE3 LYS 59 HE3 LYS 59 -18.826 17.745 0.301 11 HZ1 LYS 59 HZ1 LYS 59 -17.589 18.131 -2.373 12 HZ2 LYS 59 HZ2 LYS 59 -18.922 18.996 -1.788 13 HZ3 LYS 59 HZ3 LYS 59 -17.414 19.150 -1.028 No H/Q in entry = 13 In of MODEL 5 1 H ASP 60 H ASP 60 -17.305 12.035 -3.402 2 HA ASP 60 HA ASP 60 -20.155 11.392 -3.633 3 HB2 ASP 60 HB2 ASP 60 -19.716 13.089 -5.309 4 HB3 ASP 60 HB3 ASP 60 -18.329 12.186 -5.908 No H/Q in entry = 4 In of MODEL 5 1 H TRP 61 H TRP 61 -16.845 10.489 -4.485 2 HA TRP 61 HA TRP 61 -17.722 7.933 -5.518 3 HB2 TRP 61 HB2 TRP 61 -14.942 9.080 -5.212 4 HB3 TRP 61 HB3 TRP 61 -15.338 7.583 -6.049 5 HD1 TRP 61 HD1 TRP 61 -16.599 7.803 -8.418 6 HE1 TRP 61 HE1 TRP 61 -16.703 9.739 -10.108 7 HE3 TRP 61 HE3 TRP 61 -14.992 11.600 -5.401 8 HZ2 TRP 61 HZ2 TRP 61 -16.180 12.504 -10.160 9 HZ3 TRP 61 HZ3 TRP 61 -14.815 13.864 -6.335 10 HH2 TRP 61 HH2 TRP 61 -15.404 14.311 -8.700 No H/Q in entry = 10 In of MODEL 5 1 H SER 62 H SER 62 -15.691 6.253 -4.854 2 HA SER 62 HA SER 62 -16.418 5.309 -2.299 3 HB2 SER 62 HB2 SER 62 -14.116 4.619 -4.152 4 HB3 SER 62 HB3 SER 62 -14.461 3.718 -2.668 5 HG SER 62 HG SER 62 -16.485 3.178 -3.532 No H/Q in entry = 5 In of MODEL 5 1 H PHE 63 H PHE 63 -15.017 5.041 -0.451 2 HA PHE 63 HA PHE 63 -13.575 7.462 0.164 3 HB2 PHE 63 HB2 PHE 63 -13.853 4.984 1.888 4 HB3 PHE 63 HB3 PHE 63 -13.475 6.615 2.421 5 HD1 PHE 63 HD1 PHE 63 -15.202 8.152 2.970 6 HD2 PHE 63 HD2 PHE 63 -16.159 4.467 1.050 7 HE1 PHE 63 HE1 PHE 63 -17.599 8.531 3.436 8 HE2 PHE 63 HE2 PHE 63 -18.550 4.849 1.506 9 HZ PHE 63 HZ PHE 63 -19.265 6.881 2.694 No H/Q in entry = 9 In of MODEL 5 1 H TYR 64 H TYR 64 -11.402 7.510 0.927 2 HA TYR 64 HA TYR 64 -9.754 5.516 -0.470 3 HB2 TYR 64 HB2 TYR 64 -8.956 8.357 0.193 4 HB3 TYR 64 HB3 TYR 64 -8.177 7.261 -0.944 5 HD1 TYR 64 HD1 TYR 64 -9.550 6.546 -3.009 6 HD2 TYR 64 HD2 TYR 64 -10.563 9.871 -0.560 7 HE1 TYR 64 HE1 TYR 64 -10.930 7.461 -4.828 8 HE2 TYR 64 HE2 TYR 64 -11.938 10.796 -2.374 9 HH TYR 64 HH TYR 64 -12.838 8.993 -5.098 No H/Q in entry = 9 In of MODEL 5 1 H LEU 65 H LEU 65 -7.897 4.719 0.573 2 HA LEU 65 HA LEU 65 -7.362 5.634 3.291 3 HB2 LEU 65 HB2 LEU 65 -8.897 3.922 3.754 4 HB3 LEU 65 HB3 LEU 65 -8.238 2.868 2.521 5 HG LEU 65 HG LEU 65 -6.513 3.529 4.878 6 HD11 LEU 65 HD11 LEU 65 -8.893 2.985 5.637 7 HD12 LEU 65 HD12 LEU 65 -8.598 1.372 4.988 8 HD13 LEU 65 HD13 LEU 65 -7.590 1.998 6.292 9 HD21 LEU 65 HD21 LEU 65 -6.996 1.064 3.206 10 HD22 LEU 65 HD22 LEU 65 -5.633 2.173 3.056 11 HD23 LEU 65 HD23 LEU 65 -5.821 1.199 4.514 No H/Q in entry = 11 In of MODEL 5 1 H LEU 66 H LEU 66 -5.289 5.611 3.843 2 HA LEU 66 HA LEU 66 -3.418 4.658 1.782 3 HB2 LEU 66 HB2 LEU 66 -3.915 7.218 2.324 4 HB3 LEU 66 HB3 LEU 66 -2.741 6.926 3.574 5 HG LEU 66 HG LEU 66 -2.247 6.548 0.634 6 HD11 LEU 66 HD11 LEU 66 -2.497 8.902 1.236 7 HD12 LEU 66 HD12 LEU 66 -1.307 8.705 2.522 8 HD13 LEU 66 HD13 LEU 66 -0.819 8.529 0.837 9 HD21 LEU 66 HD21 LEU 66 -0.407 6.299 2.998 10 HD22 LEU 66 HD22 LEU 66 -0.882 5.023 1.882 11 HD23 LEU 66 HD23 LEU 66 0.128 6.358 1.324 No H/Q in entry = 11 In of MODEL 5 1 H TYR 67 H TYR 67 -1.839 3.342 2.430 2 HA TYR 67 HA TYR 67 -1.081 3.268 5.277 3 HB2 TYR 67 HB2 TYR 67 -1.678 1.058 3.390 4 HB3 TYR 67 HB3 TYR 67 -0.322 0.834 4.486 5 HD1 TYR 67 HD1 TYR 67 -0.689 0.773 6.928 6 HD2 TYR 67 HD2 TYR 67 -3.947 0.977 4.188 7 HE1 TYR 67 HE1 TYR 67 -2.220 -0.012 8.684 8 HE2 TYR 67 HE2 TYR 67 -5.458 0.178 5.926 9 HH TYR 67 HH TYR 67 -4.585 0.031 9.220 No H/Q in entry = 9 In of MODEL 5 1 H TYR 68 H TYR 68 0.948 3.893 5.611 2 HA TYR 68 HA TYR 68 2.920 3.438 3.490 3 HB2 TYR 68 HB2 TYR 68 3.717 5.762 3.570 4 HB3 TYR 68 HB3 TYR 68 2.033 5.689 3.050 5 HD1 TYR 68 HD1 TYR 68 4.344 6.818 5.634 6 HD2 TYR 68 HD2 TYR 68 0.247 6.522 4.527 7 HE1 TYR 68 HE1 TYR 68 3.767 8.484 7.346 8 HE2 TYR 68 HE2 TYR 68 -0.342 8.195 6.232 9 HH TYR 68 HH TYR 68 0.662 9.027 8.421 No H/Q in entry = 9 In of MODEL 5 1 H THR 69 H THR 69 5.138 3.884 4.154 2 HA THR 69 HA THR 69 5.657 4.098 7.003 3 HB THR 69 HB THR 69 5.276 1.655 6.652 4 HG1 THR 69 HG1 THR 69 6.653 2.176 8.306 5 HG21 THR 69 HG21 THR 69 7.622 1.939 4.771 6 HG22 THR 69 HG22 THR 69 7.109 0.398 5.458 7 HG23 THR 69 HG23 THR 69 6.014 1.302 4.410 No H/Q in entry = 7 In of MODEL 5 1 H GLU 70 H GLU 70 7.783 4.682 7.471 2 HA GLU 70 HA GLU 70 9.286 5.802 5.250 3 HB2 GLU 70 HB2 GLU 70 8.923 7.054 7.403 4 HB3 GLU 70 HB3 GLU 70 9.900 5.845 8.219 5 HG2 GLU 70 HG2 GLU 70 11.798 6.468 6.740 6 HG3 GLU 70 HG3 GLU 70 10.801 7.769 6.092 No H/Q in entry = 6 In of MODEL 5 1 H PHE 71 H PHE 71 11.163 4.951 4.449 2 HA PHE 71 HA PHE 71 12.348 2.651 5.755 3 HB2 PHE 71 HB2 PHE 71 12.060 1.128 3.881 4 HB3 PHE 71 HB3 PHE 71 10.491 1.652 4.473 5 HD1 PHE 71 HD1 PHE 71 10.815 4.439 2.962 6 HD2 PHE 71 HD2 PHE 71 11.086 0.351 1.833 7 HE1 PHE 71 HE1 PHE 71 10.169 5.032 0.664 8 HE2 PHE 71 HE2 PHE 71 10.439 0.926 -0.465 9 HZ PHE 71 HZ PHE 71 9.994 3.281 -1.068 No H/Q in entry = 9 In of MODEL 5 1 H THR 72 H THR 72 14.368 1.978 4.710 2 HA THR 72 HA THR 72 15.513 4.069 2.989 3 HB THR 72 HB THR 72 17.051 2.174 4.777 4 HG1 THR 72 HG1 THR 72 16.111 4.823 5.265 5 HG21 THR 72 HG21 THR 72 18.344 3.137 2.924 6 HG22 THR 72 HG22 THR 72 17.857 4.760 3.415 7 HG23 THR 72 HG23 THR 72 18.882 3.786 4.472 No H/Q in entry = 7 In of MODEL 5 1 HA PRO 73 HA PRO 73 14.902 0.338 0.264 2 HB2 PRO 73 HB2 PRO 73 15.537 1.958 -1.962 3 HB3 PRO 73 HB3 PRO 73 13.912 1.517 -1.404 4 HG2 PRO 73 HG2 PRO 73 15.491 4.000 -0.923 5 HG3 PRO 73 HG3 PRO 73 13.738 3.811 -1.142 6 HD2 PRO 73 HD2 PRO 73 14.786 4.249 1.277 7 HD3 PRO 73 HD3 PRO 73 13.418 3.126 1.061 No H/Q in entry = 7 In of MODEL 5 1 H THR 74 H THR 74 16.341 -0.960 -0.727 2 HA THR 74 HA THR 74 19.048 -0.005 -1.202 3 HB THR 74 HB THR 74 20.049 -1.953 -0.135 4 HG1 THR 74 HG1 THR 74 18.730 -3.392 1.065 5 HG21 THR 74 HG21 THR 74 18.126 -0.536 1.710 6 HG22 THR 74 HG22 THR 74 19.515 -1.488 2.232 7 HG23 THR 74 HG23 THR 74 19.760 -0.011 1.297 No H/Q in entry = 7 In of MODEL 5 1 H GLU 75 H GLU 75 20.302 -1.745 -2.434 2 HA GLU 75 HA GLU 75 18.948 -2.651 -4.710 3 HB2 GLU 75 HB2 GLU 75 21.488 -2.276 -4.196 4 HB3 GLU 75 HB3 GLU 75 21.455 -3.945 -3.672 5 HG2 GLU 75 HG2 GLU 75 20.813 -2.920 -6.422 6 HG3 GLU 75 HG3 GLU 75 22.275 -3.766 -5.927 No H/Q in entry = 6 In of MODEL 5 1 H LYS 76 H LYS 76 19.890 -4.311 -1.750 2 HA LYS 76 HA LYS 76 19.183 -6.871 -2.864 3 HB2 LYS 76 HB2 LYS 76 20.562 -6.013 -0.343 4 HB3 LYS 76 HB3 LYS 76 20.163 -7.693 -0.675 5 HG2 LYS 76 HG2 LYS 76 21.818 -7.925 -2.195 6 HG3 LYS 76 HG3 LYS 76 21.582 -6.303 -2.843 7 HD2 LYS 76 HD2 LYS 76 22.759 -5.349 -0.951 8 HD3 LYS 76 HD3 LYS 76 22.969 -6.960 -0.253 9 HE2 LYS 76 HE2 LYS 76 24.283 -7.633 -2.203 10 HE3 LYS 76 HE3 LYS 76 24.059 -6.031 -2.913 11 HZ1 LYS 76 HZ1 LYS 76 25.351 -6.439 -0.273 12 HZ2 LYS 76 HZ2 LYS 76 26.225 -6.437 -1.724 13 HZ3 LYS 76 HZ3 LYS 76 25.374 -5.053 -1.250 No H/Q in entry = 13 In of MODEL 5 1 H ASP 77 H ASP 77 17.752 -4.620 -0.597 2 HA ASP 77 HA ASP 77 16.038 -6.782 0.422 3 HB2 ASP 77 HB2 ASP 77 17.088 -4.691 1.794 4 HB3 ASP 77 HB3 ASP 77 15.505 -4.034 1.367 No H/Q in entry = 4 In of MODEL 5 1 H GLU 78 H GLU 78 13.613 -5.979 0.734 2 HA GLU 78 HA GLU 78 12.627 -4.587 -1.590 3 HB2 GLU 78 HB2 GLU 78 13.076 -6.671 -2.685 4 HB3 GLU 78 HB3 GLU 78 12.454 -7.593 -1.332 5 HG2 GLU 78 HG2 GLU 78 10.461 -5.855 -2.646 6 HG3 GLU 78 HG3 GLU 78 11.108 -7.167 -3.637 No H/Q in entry = 6 In of MODEL 5 1 H TYR 79 H TYR 79 10.389 -4.109 -1.427 2 HA TYR 79 HA TYR 79 9.084 -5.055 1.000 3 HB2 TYR 79 HB2 TYR 79 8.618 -2.222 0.098 4 HB3 TYR 79 HB3 TYR 79 8.371 -2.944 1.691 5 HD1 TYR 79 HD1 TYR 79 9.823 -2.379 3.369 6 HD2 TYR 79 HD2 TYR 79 11.204 -2.170 -0.650 7 HE1 TYR 79 HE1 TYR 79 11.956 -1.431 4.155 8 HE2 TYR 79 HE2 TYR 79 13.341 -1.247 0.126 9 HH TYR 79 HH TYR 79 14.301 -1.272 3.367 No H/Q in entry = 9 In of MODEL 5 1 H ALA 80 H ALA 80 6.796 -4.999 0.967 2 HA ALA 80 HA ALA 80 5.645 -5.017 -1.753 3 HB1 ALA 80 HB1 ALA 80 6.449 -7.317 -1.006 4 HB2 ALA 80 HB2 ALA 80 4.786 -7.186 -1.583 5 HB3 ALA 80 HB3 ALA 80 5.115 -7.274 0.145 No H/Q in entry = 5 In of MODEL 5 1 H CYS 81 H CYS 81 3.214 -5.151 -1.755 2 HA CYS 81 HA CYS 81 2.067 -4.019 0.709 3 HB2 CYS 81 HB2 CYS 81 1.719 -3.370 -2.174 4 HB3 CYS 81 HB3 CYS 81 0.265 -3.341 -1.181 No H/Q in entry = 4 In of MODEL 5 1 H ARG 82 H ARG 82 0.481 -5.224 1.637 2 HA ARG 82 HA ARG 82 -0.815 -7.337 0.013 3 HB2 ARG 82 HB2 ARG 82 0.794 -8.020 1.930 4 HB3 ARG 82 HB3 ARG 82 -0.487 -7.442 2.988 5 HG2 ARG 82 HG2 ARG 82 -2.038 -9.062 1.899 6 HG3 ARG 82 HG3 ARG 82 -0.640 -9.714 1.033 7 HD2 ARG 82 HD2 ARG 82 -0.700 -9.479 4.036 8 HD3 ARG 82 HD3 ARG 82 -1.286 -10.907 3.201 9 HE ARG 82 HE ARG 82 1.304 -10.354 2.293 10 HH11 ARG 82 HH11 ARG 82 -0.347 -11.414 5.194 11 HH12 ARG 82 HH12 ARG 82 0.980 -12.368 5.764 12 HH21 ARG 82 HH21 ARG 82 3.072 -11.639 3.045 13 HH22 ARG 82 HH22 ARG 82 2.921 -12.474 4.568 No H/Q in entry = 13 In of MODEL 5 1 H VAL 83 H VAL 83 -3.018 -7.304 -0.005 2 HA VAL 83 HA VAL 83 -4.350 -5.701 2.083 3 HB VAL 83 HB VAL 83 -5.785 -4.593 0.681 4 HG11 VAL 83 HG11 VAL 83 -3.279 -4.897 -0.922 5 HG12 VAL 83 HG12 VAL 83 -4.477 -3.617 -1.117 6 HG13 VAL 83 HG13 VAL 83 -3.573 -3.756 0.390 7 HG21 VAL 83 HG21 VAL 83 -6.586 -6.565 -0.546 8 HG22 VAL 83 HG22 VAL 83 -6.322 -5.174 -1.599 9 HG23 VAL 83 HG23 VAL 83 -5.150 -6.491 -1.571 No H/Q in entry = 9 In of MODEL 5 1 H ASN 84 H ASN 84 -6.156 -6.451 2.885 2 HA ASN 84 HA ASN 84 -7.084 -9.088 1.962 3 HB2 ASN 84 HB2 ASN 84 -7.369 -7.937 4.757 4 HB3 ASN 84 HB3 ASN 84 -7.695 -9.588 4.259 5 HD21 ASN 84 HD21 ASN 84 -5.184 -7.243 4.919 6 HD22 ASN 84 HD22 ASN 84 -3.904 -8.393 5.092 No H/Q in entry = 6 In of MODEL 5 1 H HIS 85 H HIS 85 -9.188 -9.109 1.121 2 HA HIS 85 HA HIS 85 -11.119 -7.384 2.422 3 HB2 HIS 85 HB2 HIS 85 -9.918 -6.101 0.517 4 HB3 HIS 85 HB3 HIS 85 -10.789 -7.185 -0.561 5 HD2 HIS 85 HD2 HIS 85 -11.683 -4.473 2.163 6 HE1 HIS 85 HE1 HIS 85 -14.834 -4.872 -0.633 7 HE2 HIS 85 HE2 HIS 85 -14.081 -3.734 1.498 No H/Q in entry = 7 In of MODEL 5 1 H VAL 86 H VAL 86 -13.246 -8.076 1.992 2 HA VAL 86 HA VAL 86 -13.618 -10.660 0.992 3 HB VAL 86 HB VAL 86 -15.486 -8.505 1.863 4 HG11 VAL 86 HG11 VAL 86 -16.305 -9.677 -0.213 5 HG12 VAL 86 HG12 VAL 86 -16.395 -11.151 0.760 6 HG13 VAL 86 HG13 VAL 86 -17.381 -9.753 1.192 7 HG21 VAL 86 HG21 VAL 86 -15.018 -11.324 2.816 8 HG22 VAL 86 HG22 VAL 86 -14.447 -9.853 3.599 9 HG23 VAL 86 HG23 VAL 86 -16.175 -10.191 3.512 No H/Q in entry = 9 In of MODEL 5 1 H THR 87 H THR 87 -13.156 -10.874 -0.951 2 HA THR 87 HA THR 87 -14.587 -10.361 -3.138 3 HB THR 87 HB THR 87 -12.900 -8.747 -4.334 4 HG1 THR 87 HG1 THR 87 -12.948 -7.418 -1.837 5 HG21 THR 87 HG21 THR 87 -15.290 -8.051 -2.741 6 HG22 THR 87 HG22 THR 87 -14.420 -6.777 -3.598 7 HG23 THR 87 HG23 THR 87 -15.103 -8.142 -4.488 No H/Q in entry = 7 In of MODEL 5 1 H LEU 88 H LEU 88 -11.295 -10.025 -2.063 2 HA LEU 88 HA LEU 88 -10.207 -11.397 -4.347 3 HB2 LEU 88 HB2 LEU 88 -8.943 -10.562 -1.717 4 HB3 LEU 88 HB3 LEU 88 -8.055 -11.285 -3.042 5 HG LEU 88 HG LEU 88 -9.440 -8.598 -3.047 6 HD11 LEU 88 HD11 LEU 88 -7.275 -8.614 -1.883 7 HD12 LEU 88 HD12 LEU 88 -6.510 -9.329 -3.317 8 HD13 LEU 88 HD13 LEU 88 -7.192 -7.697 -3.398 9 HD21 LEU 88 HD21 LEU 88 -9.730 -9.696 -5.201 10 HD22 LEU 88 HD22 LEU 88 -8.601 -8.346 -5.326 11 HD23 LEU 88 HD23 LEU 88 -7.994 -10.001 -5.290 No H/Q in entry = 11 In of MODEL 5 1 H SER 89 H SER 89 -10.015 -13.573 -4.546 2 HA SER 89 HA SER 89 -11.095 -15.394 -2.724 3 HB2 SER 89 HB2 SER 89 -9.771 -17.096 -4.117 4 HB3 SER 89 HB3 SER 89 -10.922 -16.080 -4.984 5 HG SER 89 HG SER 89 -8.254 -16.297 -5.320 No H/Q in entry = 5 In of MODEL 5 1 H GLN 90 H GLN 90 -8.012 -13.967 -2.957 2 HA GLN 90 HA GLN 90 -7.325 -14.846 -0.313 3 HB2 GLN 90 HB2 GLN 90 -4.958 -15.582 -1.179 4 HB3 GLN 90 HB3 GLN 90 -6.256 -16.752 -1.414 5 HG2 GLN 90 HG2 GLN 90 -5.168 -16.799 -3.426 6 HG3 GLN 90 HG3 GLN 90 -6.508 -15.706 -3.744 7 HE21 GLN 90 HE21 GLN 90 -5.471 -14.759 -5.492 8 HE22 GLN 90 HE22 GLN 90 -4.118 -13.693 -5.284 No H/Q in entry = 8 In of MODEL 5 1 HA PRO 91 HA PRO 91 -5.947 -10.604 0.019 2 HB2 PRO 91 HB2 PRO 91 -3.683 -12.078 1.335 3 HB3 PRO 91 HB3 PRO 91 -4.455 -10.550 1.814 4 HG2 PRO 91 HG2 PRO 91 -5.149 -12.766 3.049 5 HG3 PRO 91 HG3 PRO 91 -6.415 -11.632 2.511 6 HD2 PRO 91 HD2 PRO 91 -5.593 -14.280 1.350 7 HD3 PRO 91 HD3 PRO 91 -7.219 -13.526 1.405 No H/Q in entry = 7 In of MODEL 5 1 H LYS 92 H LYS 92 -4.690 -9.308 -1.124 2 HA LYS 92 HA LYS 92 -3.118 -10.603 -3.192 3 HB2 LYS 92 HB2 LYS 92 -4.993 -9.102 -3.810 4 HB3 LYS 92 HB3 LYS 92 -4.133 -7.767 -3.055 5 HG2 LYS 92 HG2 LYS 92 -3.759 -7.690 -5.406 6 HG3 LYS 92 HG3 LYS 92 -2.256 -8.160 -4.599 7 HD2 LYS 92 HD2 LYS 92 -2.434 -9.610 -6.433 8 HD3 LYS 92 HD3 LYS 92 -2.963 -10.549 -5.035 9 HE2 LYS 92 HE2 LYS 92 -5.246 -10.313 -5.629 10 HE3 LYS 92 HE3 LYS 92 -4.869 -9.115 -6.866 11 HZ1 LYS 92 HZ1 LYS 92 -3.970 -11.945 -6.953 12 HZ2 LYS 92 HZ2 LYS 92 -5.327 -11.342 -7.776 13 HZ3 LYS 92 HZ3 LYS 92 -3.776 -10.779 -8.170 No H/Q in entry = 13 In of MODEL 5 1 H ILE 93 H ILE 93 -1.008 -10.432 -3.313 2 HA ILE 93 HA ILE 93 0.353 -8.292 -1.822 3 HB ILE 93 HB ILE 93 1.481 -10.940 -2.742 4 HG12 ILE 93 HG12 ILE 93 1.952 -11.125 -0.201 5 HG13 ILE 93 HG13 ILE 93 0.732 -9.875 -0.031 6 HG21 ILE 93 HG21 ILE 93 3.134 -9.176 -2.975 7 HG22 ILE 93 HG22 ILE 93 2.859 -8.687 -1.300 8 HG23 ILE 93 HG23 ILE 93 3.562 -10.267 -1.650 9 HD11 ILE 93 HD11 ILE 93 0.317 -12.563 -1.309 10 HD12 ILE 93 HD12 ILE 93 -0.174 -12.105 0.321 11 HD13 ILE 93 HD13 ILE 93 -0.909 -11.321 -1.074 No H/Q in entry = 11 In of MODEL 5 1 H VAL 94 H VAL 94 1.380 -6.809 -2.954 2 HA VAL 94 HA VAL 94 2.352 -7.485 -5.639 3 HB VAL 94 HB VAL 94 1.112 -4.838 -4.830 4 HG11 VAL 94 HG11 VAL 94 2.383 -5.673 -7.437 5 HG12 VAL 94 HG12 VAL 94 1.511 -4.165 -7.163 6 HG13 VAL 94 HG13 VAL 94 3.017 -4.482 -6.302 7 HG21 VAL 94 HG21 VAL 94 -0.541 -6.567 -5.284 8 HG22 VAL 94 HG22 VAL 94 -0.545 -5.350 -6.561 9 HG23 VAL 94 HG23 VAL 94 0.228 -6.912 -6.834 No H/Q in entry = 9 In of MODEL 5 1 H LYS 95 H LYS 95 4.410 -6.997 -5.947 2 HA LYS 95 HA LYS 95 5.885 -6.061 -3.620 3 HB2 LYS 95 HB2 LYS 95 7.577 -7.335 -4.354 4 HB3 LYS 95 HB3 LYS 95 6.414 -8.001 -5.485 5 HG2 LYS 95 HG2 LYS 95 7.180 -6.569 -7.227 6 HG3 LYS 95 HG3 LYS 95 8.176 -5.653 -6.094 7 HD2 LYS 95 HD2 LYS 95 9.180 -8.069 -5.630 8 HD3 LYS 95 HD3 LYS 95 8.619 -8.341 -7.279 9 HE2 LYS 95 HE2 LYS 95 10.488 -6.150 -6.377 10 HE3 LYS 95 HE3 LYS 95 10.958 -7.622 -7.223 11 HZ1 LYS 95 HZ1 LYS 95 9.166 -5.510 -8.302 12 HZ2 LYS 95 HZ2 LYS 95 10.794 -5.730 -8.718 13 HZ3 LYS 95 HZ3 LYS 95 9.651 -6.912 -9.120 No H/Q in entry = 13 In of MODEL 5 1 H TRP 96 H TRP 96 7.188 -4.238 -3.584 2 HA TRP 96 HA TRP 96 6.143 -2.057 -5.096 3 HB2 TRP 96 HB2 TRP 96 6.816 -1.720 -2.782 4 HB3 TRP 96 HB3 TRP 96 8.472 -2.214 -3.139 5 HD1 TRP 96 HD1 TRP 96 6.004 0.613 -4.123 6 HE1 TRP 96 HE1 TRP 96 7.373 2.755 -4.489 7 HE3 TRP 96 HE3 TRP 96 10.697 -1.292 -3.435 8 HZ2 TRP 96 HZ2 TRP 96 10.074 3.545 -4.478 9 HZ3 TRP 96 HZ3 TRP 96 12.627 0.220 -3.626 10 HH2 TRP 96 HH2 TRP 96 12.313 2.605 -4.145 No H/Q in entry = 10 In of MODEL 5 1 H ASP 97 H ASP 97 6.778 -1.313 -6.961 2 HA ASP 97 HA ASP 97 9.521 -1.853 -7.867 3 HB2 ASP 97 HB2 ASP 97 6.967 -2.239 -9.402 4 HB3 ASP 97 HB3 ASP 97 8.439 -1.783 -10.249 No H/Q in entry = 4 In of MODEL 5 1 H ARG 98 H ARG 98 10.538 -0.244 -8.929 2 HA ARG 98 HA ARG 98 9.369 2.385 -8.446 3 HB2 ARG 98 HB2 ARG 98 11.737 3.157 -8.556 4 HB3 ARG 98 HB3 ARG 98 11.471 1.921 -7.350 5 HG2 ARG 98 HG2 ARG 98 13.111 0.746 -8.193 6 HG3 ARG 98 HG3 ARG 98 12.182 0.552 -9.677 7 HD2 ARG 98 HD2 ARG 98 14.313 1.424 -10.263 8 HD3 ARG 98 HD3 ARG 98 13.136 2.715 -10.468 9 HE ARG 98 HE ARG 98 14.268 2.898 -7.902 10 HH11 ARG 98 HH11 ARG 98 15.036 3.405 -11.277 11 HH12 ARG 98 HH12 ARG 98 16.358 4.496 -10.948 12 HH21 ARG 98 HH21 ARG 98 15.982 4.367 -7.458 13 HH22 ARG 98 HH22 ARG 98 16.893 5.037 -8.774 No H/Q in entry = 13 In of MODEL 5 1 H ASP 99 H ASP 99 10.834 0.481 -10.989 2 HA ASP 99 HA ASP 99 10.109 2.582 -12.937 3 HB2 ASP 99 HB2 ASP 99 12.548 0.852 -12.768 4 HB3 ASP 99 HB3 ASP 99 12.024 1.496 -14.320 No H/Q in entry = 4 In of MODEL 5 1 H MET 100 H MET 100 9.377 -0.398 -11.862 2 HA MET 100 HA MET 100 9.039 -1.559 -14.544 3 HB2 MET 100 HB2 MET 100 8.832 -3.061 -11.938 4 HB3 MET 100 HB3 MET 100 9.114 -3.704 -13.554 5 HG2 MET 100 HG2 MET 100 11.026 -1.986 -12.006 6 HG3 MET 100 HG3 MET 100 11.127 -3.746 -12.158 7 HE1 MET 100 HE1 MET 100 13.541 -1.788 -12.850 8 HE2 MET 100 HE2 MET 100 13.642 -3.539 -13.023 9 HE3 MET 100 HE3 MET 100 14.127 -2.491 -14.357 No H/Q in entry = 9 In of MODEL 6 1 HA ILE 2 HA ILE 2 -22.855 -7.722 -3.878 2 HB ILE 2 HB ILE 2 -20.589 -8.917 -4.101 3 HG12 ILE 2 HG12 ILE 2 -21.142 -8.472 -7.050 4 HG13 ILE 2 HG13 ILE 2 -19.820 -7.728 -6.152 5 HG21 ILE 2 HG21 ILE 2 -22.958 -9.775 -5.747 6 HG22 ILE 2 HG22 ILE 2 -21.636 -10.830 -5.248 7 HG23 ILE 2 HG23 ILE 2 -22.682 -10.093 -4.034 8 HD11 ILE 2 HD11 ILE 2 -20.193 -10.678 -6.614 9 HD12 ILE 2 HD12 ILE 2 -19.058 -9.623 -7.459 10 HD13 ILE 2 HD13 ILE 2 -18.864 -9.923 -5.734 No H/Q in entry = 10 In of MODEL 6 1 H GLN 3 H GLN 3 -20.188 -6.181 -5.694 2 HA GLN 3 HA GLN 3 -19.510 -4.242 -3.814 3 HB2 GLN 3 HB2 GLN 3 -19.073 -6.477 -2.519 4 HB3 GLN 3 HB3 GLN 3 -17.669 -6.622 -3.558 5 HG2 GLN 3 HG2 GLN 3 -16.950 -5.678 -1.498 6 HG3 GLN 3 HG3 GLN 3 -16.906 -4.396 -2.717 7 HE21 GLN 3 HE21 GLN 3 -18.424 -2.728 -2.610 8 HE22 GLN 3 HE22 GLN 3 -19.326 -2.415 -1.174 No H/Q in entry = 8 In of MODEL 6 1 H ARG 4 H ARG 4 -17.000 -3.687 -4.186 2 HA ARG 4 HA ARG 4 -16.389 -4.205 -7.019 3 HB2 ARG 4 HB2 ARG 4 -17.118 -1.917 -6.834 4 HB3 ARG 4 HB3 ARG 4 -16.067 -1.664 -5.439 5 HG2 ARG 4 HG2 ARG 4 -14.283 -1.195 -6.725 6 HG3 ARG 4 HG3 ARG 4 -14.575 -2.606 -7.721 7 HD2 ARG 4 HD2 ARG 4 -15.910 0.091 -8.136 8 HD3 ARG 4 HD3 ARG 4 -14.681 -0.653 -9.158 9 HE ARG 4 HE ARG 4 -16.599 -2.516 -9.188 10 HH11 ARG 4 HH11 ARG 4 -16.679 0.944 -9.734 11 HH12 ARG 4 HH12 ARG 4 -18.140 0.883 -10.671 12 HH21 ARG 4 HH21 ARG 4 -18.481 -2.604 -10.438 13 HH22 ARG 4 HH22 ARG 4 -19.168 -1.137 -11.084 No H/Q in entry = 13 In of MODEL 6 1 H THR 5 H THR 5 -14.270 -4.624 -7.544 2 HA THR 5 HA THR 5 -12.669 -5.600 -5.416 3 HB THR 5 HB THR 5 -11.090 -6.322 -7.152 4 HG1 THR 5 HG1 THR 5 -11.901 -5.884 -9.413 5 HG21 THR 5 HG21 THR 5 -14.010 -6.860 -7.563 6 HG22 THR 5 HG22 THR 5 -12.806 -7.570 -8.637 7 HG23 THR 5 HG23 THR 5 -12.755 -7.922 -6.915 No H/Q in entry = 7 In of MODEL 6 1 HA PRO 6 HA PRO 6 -10.286 -1.813 -4.946 2 HB2 PRO 6 HB2 PRO 6 -8.863 -3.106 -2.808 3 HB3 PRO 6 HB3 PRO 6 -10.061 -1.817 -2.691 4 HG2 PRO 6 HG2 PRO 6 -10.420 -4.425 -1.802 5 HG3 PRO 6 HG3 PRO 6 -11.730 -3.262 -2.141 6 HD2 PRO 6 HD2 PRO 6 -10.723 -5.547 -3.783 7 HD3 PRO 6 HD3 PRO 6 -12.360 -4.859 -3.658 No H/Q in entry = 7 In of MODEL 6 1 H LYS 7 H LYS 7 -8.454 -1.417 -6.068 2 HA LYS 7 HA LYS 7 -6.860 -3.752 -6.842 3 HB2 LYS 7 HB2 LYS 7 -7.968 -2.440 -8.651 4 HB3 LYS 7 HB3 LYS 7 -7.028 -1.032 -8.176 5 HG2 LYS 7 HG2 LYS 7 -4.994 -2.067 -8.846 6 HG3 LYS 7 HG3 LYS 7 -5.796 -3.623 -9.073 7 HD2 LYS 7 HD2 LYS 7 -7.145 -2.633 -10.880 8 HD3 LYS 7 HD3 LYS 7 -6.271 -1.112 -10.677 9 HE2 LYS 7 HE2 LYS 7 -5.433 -2.534 -12.546 10 HE3 LYS 7 HE3 LYS 7 -4.212 -2.131 -11.341 11 HZ1 LYS 7 HZ1 LYS 7 -5.731 -4.683 -11.341 12 HZ2 LYS 7 HZ2 LYS 7 -4.214 -4.497 -12.076 13 HZ3 LYS 7 HZ3 LYS 7 -4.375 -4.286 -10.402 No H/Q in entry = 13 In of MODEL 6 1 H ILE 8 H ILE 8 -4.538 -3.469 -7.080 2 HA ILE 8 HA ILE 8 -3.571 -2.094 -4.699 3 HB ILE 8 HB ILE 8 -1.909 -3.944 -6.382 4 HG12 ILE 8 HG12 ILE 8 -3.964 -5.177 -6.000 5 HG13 ILE 8 HG13 ILE 8 -2.707 -5.821 -4.955 6 HG21 ILE 8 HG21 ILE 8 -0.799 -2.694 -4.615 7 HG22 ILE 8 HG22 ILE 8 -1.958 -3.306 -3.433 8 HG23 ILE 8 HG23 ILE 8 -0.838 -4.414 -4.226 9 HD11 ILE 8 HD11 ILE 8 -3.632 -4.566 -3.082 10 HD12 ILE 8 HD12 ILE 8 -4.894 -3.928 -4.136 11 HD13 ILE 8 HD13 ILE 8 -4.821 -5.659 -3.791 No H/Q in entry = 11 In of MODEL 6 1 H GLN 9 H GLN 9 -2.731 -0.148 -4.950 2 HA GLN 9 HA GLN 9 -0.875 0.274 -7.195 3 HB2 GLN 9 HB2 GLN 9 -2.633 2.244 -5.738 4 HB3 GLN 9 HB3 GLN 9 -1.320 2.738 -6.812 5 HG2 GLN 9 HG2 GLN 9 -2.435 1.662 -8.677 6 HG3 GLN 9 HG3 GLN 9 -3.718 1.096 -7.609 7 HE21 GLN 9 HE21 GLN 9 -3.844 2.841 -9.962 8 HE22 GLN 9 HE22 GLN 9 -4.595 4.308 -9.425 No H/Q in entry = 8 In of MODEL 6 1 H VAL 10 H VAL 10 1.178 0.273 -6.497 2 HA VAL 10 HA VAL 10 1.792 1.539 -3.940 3 HB VAL 10 HB VAL 10 1.763 -0.684 -3.172 4 HG11 VAL 10 HG11 VAL 10 1.564 -1.745 -5.391 5 HG12 VAL 10 HG12 VAL 10 3.311 -1.586 -5.590 6 HG13 VAL 10 HG13 VAL 10 2.657 -2.594 -4.294 7 HG21 VAL 10 HG21 VAL 10 4.609 -0.080 -3.980 8 HG22 VAL 10 HG22 VAL 10 3.804 0.408 -2.489 9 HG23 VAL 10 HG23 VAL 10 4.136 -1.299 -2.797 No H/Q in entry = 9 In of MODEL 6 1 H TYR 11 H TYR 11 3.472 2.824 -4.020 2 HA TYR 11 HA TYR 11 5.672 2.478 -5.817 3 HB2 TYR 11 HB2 TYR 11 5.304 4.622 -7.059 4 HB3 TYR 11 HB3 TYR 11 4.120 3.385 -7.448 5 HD1 TYR 11 HD1 TYR 11 4.664 6.608 -5.767 6 HD2 TYR 11 HD2 TYR 11 1.794 3.673 -6.882 7 HE1 TYR 11 HE1 TYR 11 2.853 8.197 -5.274 8 HE2 TYR 11 HE2 TYR 11 -0.023 5.252 -6.389 9 HH TYR 11 HH TYR 11 -0.381 7.258 -4.989 No H/Q in entry = 9 In of MODEL 6 1 H SER 12 H SER 12 7.132 4.530 -5.642 2 HA SER 12 HA SER 12 7.246 5.173 -2.805 3 HB2 SER 12 HB2 SER 12 9.287 4.451 -4.048 4 HB3 SER 12 HB3 SER 12 9.173 5.917 -5.014 5 HG SER 12 HG SER 12 10.428 5.675 -2.767 No H/Q in entry = 5 In of MODEL 6 1 H ARG 13 H ARG 13 6.899 7.127 -1.934 2 HA ARG 13 HA ARG 13 5.267 8.956 -3.391 3 HB2 ARG 13 HB2 ARG 13 5.277 8.440 -0.862 4 HB3 ARG 13 HB3 ARG 13 6.656 9.505 -0.747 5 HG2 ARG 13 HG2 ARG 13 3.948 10.398 -1.731 6 HG3 ARG 13 HG3 ARG 13 4.459 10.492 -0.061 7 HD2 ARG 13 HD2 ARG 13 5.000 12.596 -0.714 8 HD3 ARG 13 HD3 ARG 13 6.479 11.796 -1.207 9 HE ARG 13 HE ARG 13 5.491 11.679 -3.477 10 HH11 ARG 13 HH11 ARG 13 4.327 14.078 -1.197 11 HH12 ARG 13 HH12 ARG 13 3.892 15.219 -2.437 12 HH21 ARG 13 HH21 ARG 13 4.919 13.193 -5.094 13 HH22 ARG 13 HH22 ARG 13 4.239 14.724 -4.638 No H/Q in entry = 13 In of MODEL 6 1 H HIS 14 H HIS 14 8.581 9.209 -2.160 2 HA HIS 14 HA HIS 14 9.013 11.430 -4.026 3 HB2 HIS 14 HB2 HIS 14 9.927 10.994 -1.217 4 HB3 HIS 14 HB3 HIS 14 11.005 11.871 -2.297 5 HD2 HIS 14 HD2 HIS 14 7.971 13.213 -3.631 6 HE1 HIS 14 HE1 HIS 14 8.414 15.345 -0.002 7 HE2 HIS 14 HE2 HIS 14 7.431 15.394 -2.339 No H/Q in entry = 7 In of MODEL 6 1 HA PRO 15 HA PRO 15 12.395 9.466 -6.141 2 HB2 PRO 15 HB2 PRO 15 14.776 10.463 -4.999 3 HB3 PRO 15 HB3 PRO 15 13.939 11.087 -6.432 4 HG2 PRO 15 HG2 PRO 15 13.858 12.089 -3.598 5 HG3 PRO 15 HG3 PRO 15 13.716 12.995 -5.142 6 HD2 PRO 15 HD2 PRO 15 11.564 12.489 -3.592 7 HD3 PRO 15 HD3 PRO 15 11.455 12.488 -5.379 No H/Q in entry = 7 In of MODEL 6 1 H ALA 16 H ALA 16 12.772 7.402 -5.833 2 HA ALA 16 HA ALA 16 13.338 6.316 -3.234 3 HB1 ALA 16 HB1 ALA 16 11.817 5.170 -4.774 4 HB2 ALA 16 HB2 ALA 16 13.148 4.939 -5.909 5 HB3 ALA 16 HB3 ALA 16 13.186 4.152 -4.330 No H/Q in entry = 5 In of MODEL 6 1 H GLU 17 H GLU 17 15.357 6.305 -2.457 2 HA GLU 17 HA GLU 17 17.550 5.856 -4.361 3 HB2 GLU 17 HB2 GLU 17 17.438 8.192 -3.508 4 HB3 GLU 17 HB3 GLU 17 17.660 7.565 -1.877 5 HG2 GLU 17 HG2 GLU 17 19.752 8.411 -2.834 6 HG3 GLU 17 HG3 GLU 17 19.832 6.685 -2.474 No H/Q in entry = 6 In of MODEL 6 1 H ASN 18 H ASN 18 18.920 4.285 -3.910 2 HA ASN 18 HA ASN 18 18.441 2.564 -1.656 3 HB2 ASN 18 HB2 ASN 18 18.989 1.298 -3.494 4 HB3 ASN 18 HB3 ASN 18 20.178 2.458 -4.091 5 HD21 ASN 18 HD21 ASN 18 21.817 1.017 -4.385 6 HD22 ASN 18 HD22 ASN 18 22.615 0.184 -3.092 No H/Q in entry = 6 In of MODEL 6 1 H GLY 19 H GLY 19 19.341 2.652 0.214 2 HA2 GLY 19 HA2 GLY 19 22.001 3.787 0.608 3 HA3 GLY 19 HA3 GLY 19 21.018 2.962 1.829 No H/Q in entry = 3 In of MODEL 6 1 H LYS 20 H LYS 20 18.699 4.644 0.867 2 HA LYS 20 HA LYS 20 19.313 7.075 2.383 3 HB2 LYS 20 HB2 LYS 20 19.562 7.421 -0.087 4 HB3 LYS 20 HB3 LYS 20 17.887 6.948 -0.278 5 HG2 LYS 20 HG2 LYS 20 17.826 9.260 -0.355 6 HG3 LYS 20 HG3 LYS 20 17.322 8.875 1.293 7 HD2 LYS 20 HD2 LYS 20 19.610 9.344 2.075 8 HD3 LYS 20 HD3 LYS 20 20.073 9.758 0.423 9 HE2 LYS 20 HE2 LYS 20 17.991 11.167 2.099 10 HE3 LYS 20 HE3 LYS 20 19.603 11.771 1.718 11 HZ1 LYS 20 HZ1 LYS 20 18.993 11.800 -0.629 12 HZ2 LYS 20 HZ2 LYS 20 17.439 11.239 -0.253 13 HZ3 LYS 20 HZ3 LYS 20 17.940 12.765 0.291 No H/Q in entry = 13 In of MODEL 6 1 H SER 21 H SER 21 17.545 7.915 3.504 2 HA SER 21 HA SER 21 15.377 6.144 4.018 3 HB2 SER 21 HB2 SER 21 16.246 7.624 5.758 4 HB3 SER 21 HB3 SER 21 15.818 9.028 4.787 5 HG SER 21 HG SER 21 14.325 7.776 6.561 No H/Q in entry = 5 In of MODEL 6 1 H ASN 22 H ASN 22 13.441 6.100 3.153 2 HA ASN 22 HA ASN 22 12.688 8.096 1.122 3 HB2 ASN 22 HB2 ASN 22 13.918 5.990 0.154 4 HB3 ASN 22 HB3 ASN 22 12.489 5.102 0.651 5 HD21 ASN 22 HD21 ASN 22 12.184 8.381 -0.572 6 HD22 ASN 22 HD22 ASN 22 11.475 7.917 -2.082 No H/Q in entry = 6 In of MODEL 6 1 H PHE 23 H PHE 23 10.309 7.521 0.358 2 HA PHE 23 HA PHE 23 8.804 6.702 2.749 3 HB2 PHE 23 HB2 PHE 23 8.351 9.084 0.953 4 HB3 PHE 23 HB3 PHE 23 7.104 8.453 2.021 5 HD1 PHE 23 HD1 PHE 23 6.901 9.324 4.118 6 HD2 PHE 23 HD2 PHE 23 10.632 9.664 2.109 7 HE1 PHE 23 HE1 PHE 23 7.752 10.729 5.949 8 HE2 PHE 23 HE2 PHE 23 11.497 11.059 3.939 9 HZ PHE 23 HZ PHE 23 10.058 11.583 5.868 No H/Q in entry = 9 In of MODEL 6 1 H LEU 24 H LEU 24 7.627 4.970 2.288 2 HA LEU 24 HA LEU 24 7.060 4.204 -0.437 3 HB2 LEU 24 HB2 LEU 24 7.265 2.916 2.029 4 HB3 LEU 24 HB3 LEU 24 5.579 2.746 1.585 5 HG LEU 24 HG LEU 24 7.977 1.792 -0.011 6 HD11 LEU 24 HD11 LEU 24 7.439 0.425 1.948 7 HD12 LEU 24 HD12 LEU 24 5.771 0.286 1.392 8 HD13 LEU 24 HD13 LEU 24 7.076 -0.429 0.447 9 HD21 LEU 24 HD21 LEU 24 5.037 1.619 -0.680 10 HD22 LEU 24 HD22 LEU 24 6.271 2.523 -1.564 11 HD23 LEU 24 HD23 LEU 24 6.329 0.759 -1.518 No H/Q in entry = 11 In of MODEL 6 1 H ASN 25 H ASN 25 4.904 3.769 -1.202 2 HA ASN 25 HA ASN 25 2.733 5.000 0.295 3 HB2 ASN 25 HB2 ASN 25 3.365 6.810 -1.149 4 HB3 ASN 25 HB3 ASN 25 3.476 5.740 -2.543 5 HD21 ASN 25 HD21 ASN 25 1.411 7.567 -0.486 6 HD22 ASN 25 HD22 ASN 25 -0.037 7.363 -1.405 No H/Q in entry = 6 In of MODEL 6 1 H CYS 26 H CYS 26 1.050 3.698 0.344 2 HA CYS 26 HA CYS 26 0.620 1.833 -1.884 3 HB2 CYS 26 HB2 CYS 26 1.512 0.897 0.412 4 HB3 CYS 26 HB3 CYS 26 -0.172 1.096 0.906 No H/Q in entry = 4 In of MODEL 6 1 H TYR 27 H TYR 27 -1.258 2.195 -2.817 2 HA TYR 27 HA TYR 27 -3.313 3.704 -1.326 3 HB2 TYR 27 HB2 TYR 27 -1.985 4.288 -3.855 4 HB3 TYR 27 HB3 TYR 27 -3.729 4.199 -4.043 5 HD1 TYR 27 HD1 TYR 27 -0.984 6.241 -3.079 6 HD2 TYR 27 HD2 TYR 27 -5.153 5.678 -2.449 7 HE1 TYR 27 HE1 TYR 27 -1.183 8.571 -2.327 8 HE2 TYR 27 HE2 TYR 27 -5.355 8.008 -1.700 9 HH TYR 27 HH TYR 27 -2.952 10.312 -2.165 No H/Q in entry = 9 In of MODEL 6 1 H VAL 28 H VAL 28 -4.735 2.130 -0.847 2 HA VAL 28 HA VAL 28 -5.646 0.434 -3.069 3 HB VAL 28 HB VAL 28 -6.383 -0.107 -0.213 4 HG11 VAL 28 HG11 VAL 28 -5.978 -1.829 -2.647 5 HG12 VAL 28 HG12 VAL 28 -6.457 -2.421 -1.055 6 HG13 VAL 28 HG13 VAL 28 -7.525 -1.340 -1.952 7 HG21 VAL 28 HG21 VAL 28 -3.797 -0.927 -1.524 8 HG22 VAL 28 HG22 VAL 28 -3.983 0.091 -0.093 9 HG23 VAL 28 HG23 VAL 28 -4.430 -1.617 -0.028 No H/Q in entry = 9 In of MODEL 6 1 H SER 29 H SER 29 -7.330 1.395 -4.028 2 HA SER 29 HA SER 29 -9.555 2.289 -2.384 3 HB2 SER 29 HB2 SER 29 -8.069 4.272 -2.691 4 HB3 SER 29 HB3 SER 29 -8.295 4.123 -4.432 5 HG SER 29 HG SER 29 -10.238 4.736 -2.451 No H/Q in entry = 5 In of MODEL 6 1 H GLY 30 H GLY 30 -11.256 3.305 -4.106 2 HA2 GLY 30 HA2 GLY 30 -11.419 1.498 -6.402 3 HA3 GLY 30 HA3 GLY 30 -12.445 2.894 -6.111 No H/Q in entry = 3 In of MODEL 6 1 H PHE 31 H PHE 31 -12.574 1.822 -3.207 2 HA PHE 31 HA PHE 31 -14.511 -0.321 -3.724 3 HB2 PHE 31 HB2 PHE 31 -13.697 -1.537 -1.788 4 HB3 PHE 31 HB3 PHE 31 -12.335 -1.195 -2.876 5 HD1 PHE 31 HD1 PHE 31 -10.684 0.482 -2.309 6 HD2 PHE 31 HD2 PHE 31 -13.816 -0.484 0.403 7 HE1 PHE 31 HE1 PHE 31 -9.484 1.625 -0.507 8 HE2 PHE 31 HE2 PHE 31 -12.594 0.651 2.216 9 HZ PHE 31 HZ PHE 31 -10.442 1.723 1.748 No H/Q in entry = 9 In of MODEL 6 1 H HIS 32 H HIS 32 -15.784 -0.819 -1.632 2 HA HIS 32 HA HIS 32 -15.854 1.137 0.423 3 HB2 HIS 32 HB2 HIS 32 -18.270 1.658 0.262 4 HB3 HIS 32 HB3 HIS 32 -17.381 2.265 -1.126 5 HD2 HIS 32 HD2 HIS 32 -17.805 0.758 -3.532 6 HE1 HIS 32 HE1 HIS 32 -21.474 -0.790 -2.098 7 HE2 HIS 32 HE2 HIS 32 -20.130 -0.201 -4.166 No H/Q in entry = 7 In of MODEL 6 1 HA PRO 33 HA PRO 33 -17.935 1.350 2.159 2 HB2 PRO 33 HB2 PRO 33 -17.631 0.701 4.769 3 HB3 PRO 33 HB3 PRO 33 -19.096 0.324 3.854 4 HG2 PRO 33 HG2 PRO 33 -16.769 -1.447 4.513 5 HG3 PRO 33 HG3 PRO 33 -18.505 -1.800 4.614 6 HD2 PRO 33 HD2 PRO 33 -17.002 -2.629 2.544 7 HD3 PRO 33 HD3 PRO 33 -18.698 -2.146 2.342 No H/Q in entry = 7 In of MODEL 6 1 H SER 34 H SER 34 -16.842 2.491 4.096 2 HA SER 34 HA SER 34 -14.441 3.516 3.280 3 HB2 SER 34 HB2 SER 34 -15.267 3.458 6.180 4 HB3 SER 34 HB3 SER 34 -14.335 4.711 5.350 5 HG SER 34 HG SER 34 -16.277 5.573 5.203 No H/Q in entry = 5 In of MODEL 6 1 H ASP 35 H ASP 35 -14.593 0.426 4.704 2 HA ASP 35 HA ASP 35 -11.881 0.760 5.811 3 HB2 ASP 35 HB2 ASP 35 -14.108 -1.084 6.670 4 HB3 ASP 35 HB3 ASP 35 -12.440 -1.325 7.175 No H/Q in entry = 4 In of MODEL 6 1 H ILE 36 H ILE 36 -10.292 -0.260 4.928 2 HA ILE 36 HA ILE 36 -10.614 -3.042 4.100 3 HB ILE 36 HB ILE 36 -10.490 -1.549 1.999 4 HG12 ILE 36 HG12 ILE 36 -8.665 -3.841 2.642 5 HG13 ILE 36 HG13 ILE 36 -10.082 -3.808 1.601 6 HG21 ILE 36 HG21 ILE 36 -8.798 0.020 2.851 7 HG22 ILE 36 HG22 ILE 36 -7.630 -1.299 2.921 8 HG23 ILE 36 HG23 ILE 36 -8.264 -0.762 1.363 9 HD11 ILE 36 HD11 ILE 36 -7.437 -2.526 0.941 10 HD12 ILE 36 HD12 ILE 36 -7.971 -4.104 0.367 11 HD13 ILE 36 HD13 ILE 36 -8.840 -2.649 -0.120 No H/Q in entry = 11 In of MODEL 6 1 H GLU 37 H GLU 37 -8.549 -4.222 4.404 2 HA GLU 37 HA GLU 37 -6.723 -2.705 6.118 3 HB2 GLU 37 HB2 GLU 37 -8.088 -4.652 7.122 4 HB3 GLU 37 HB3 GLU 37 -7.026 -5.687 6.172 5 HG2 GLU 37 HG2 GLU 37 -6.292 -5.419 8.518 6 HG3 GLU 37 HG3 GLU 37 -5.085 -4.874 7.350 No H/Q in entry = 6 In of MODEL 6 1 H VAL 38 H VAL 38 -4.804 -2.414 5.320 2 HA VAL 38 HA VAL 38 -3.701 -4.381 3.473 3 HB VAL 38 HB VAL 38 -3.921 -3.008 1.746 4 HG11 VAL 38 HG11 VAL 38 -4.468 -0.757 3.659 5 HG12 VAL 38 HG12 VAL 38 -4.668 -0.684 1.905 6 HG13 VAL 38 HG13 VAL 38 -5.651 -1.796 2.862 7 HG21 VAL 38 HG21 VAL 38 -1.915 -1.258 3.175 8 HG22 VAL 38 HG22 VAL 38 -1.557 -2.592 2.082 9 HG23 VAL 38 HG23 VAL 38 -2.334 -1.132 1.464 No H/Q in entry = 9 In of MODEL 6 1 H ASP 39 H ASP 39 -1.620 -4.743 3.641 2 HA ASP 39 HA ASP 39 -0.105 -3.294 5.710 3 HB2 ASP 39 HB2 ASP 39 -0.781 -5.252 6.868 4 HB3 ASP 39 HB3 ASP 39 -0.420 -6.291 5.506 No H/Q in entry = 4 In of MODEL 6 1 H LEU 40 H LEU 40 2.125 -3.258 5.457 2 HA LEU 40 HA LEU 40 2.974 -3.709 2.691 3 HB2 LEU 40 HB2 LEU 40 4.408 -2.101 4.779 4 HB3 LEU 40 HB3 LEU 40 4.659 -2.069 3.045 5 HG LEU 40 HG LEU 40 2.266 -0.995 4.533 6 HD11 LEU 40 HD11 LEU 40 4.343 0.306 4.770 7 HD12 LEU 40 HD12 LEU 40 4.448 0.422 3.014 8 HD13 LEU 40 HD13 LEU 40 3.099 1.173 3.867 9 HD21 LEU 40 HD21 LEU 40 2.888 -0.989 1.586 10 HD22 LEU 40 HD22 LEU 40 1.558 -1.835 2.383 11 HD23 LEU 40 HD23 LEU 40 1.591 -0.068 2.357 No H/Q in entry = 11 In of MODEL 6 1 H LEU 41 H LEU 41 4.772 -4.911 2.240 2 HA LEU 41 HA LEU 41 5.664 -6.621 4.447 3 HB2 LEU 41 HB2 LEU 41 5.768 -7.413 1.575 4 HB3 LEU 41 HB3 LEU 41 5.857 -8.427 2.981 5 HG LEU 41 HG LEU 41 3.375 -6.974 2.091 6 HD11 LEU 41 HD11 LEU 41 4.077 -8.696 0.506 7 HD12 LEU 41 HD12 LEU 41 4.159 -9.872 1.817 8 HD13 LEU 41 HD13 LEU 41 2.609 -9.173 1.359 9 HD21 LEU 41 HD21 LEU 41 3.535 -7.407 4.526 10 HD22 LEU 41 HD22 LEU 41 2.249 -8.332 3.749 11 HD23 LEU 41 HD23 LEU 41 3.765 -9.121 4.177 No H/Q in entry = 11 In of MODEL 6 1 H LYS 42 H LYS 42 7.573 -7.883 3.661 2 HA LYS 42 HA LYS 42 9.656 -6.387 2.367 3 HB2 LYS 42 HB2 LYS 42 9.929 -7.158 5.265 4 HB3 LYS 42 HB3 LYS 42 11.247 -6.600 4.243 5 HG2 LYS 42 HG2 LYS 42 9.797 -4.488 3.855 6 HG3 LYS 42 HG3 LYS 42 8.854 -5.071 5.188 7 HD2 LYS 42 HD2 LYS 42 11.857 -4.658 5.466 8 HD3 LYS 42 HD3 LYS 42 10.655 -3.406 5.830 9 HE2 LYS 42 HE2 LYS 42 9.623 -4.890 7.481 10 HE3 LYS 42 HE3 LYS 42 10.820 -6.130 7.111 11 HZ1 LYS 42 HZ1 LYS 42 11.457 -3.429 8.176 12 HZ2 LYS 42 HZ2 LYS 42 11.358 -4.841 9.112 13 HZ3 LYS 42 HZ3 LYS 42 12.557 -4.698 7.921 No H/Q in entry = 13 In of MODEL 6 1 H ASN 43 H ASN 43 10.082 -7.864 0.978 2 HA ASN 43 HA ASN 43 10.870 -9.782 0.015 3 HB2 ASN 43 HB2 ASN 43 11.479 -10.579 2.871 4 HB3 ASN 43 HB3 ASN 43 11.909 -11.566 1.481 5 HD21 ASN 43 HD21 ASN 43 12.066 -8.074 1.412 6 HD22 ASN 43 HD22 ASN 43 13.794 -7.958 1.425 No H/Q in entry = 6 In of MODEL 6 1 H GLY 44 H GLY 44 8.529 -9.879 2.493 2 HA2 GLY 44 HA2 GLY 44 7.548 -12.533 1.787 3 HA3 GLY 44 HA3 GLY 44 6.471 -11.160 1.467 No H/Q in entry = 3 In of MODEL 6 1 H GLU 45 H GLU 45 8.263 -10.227 4.016 2 HA GLU 45 HA GLU 45 6.527 -11.471 6.028 3 HB2 GLU 45 HB2 GLU 45 9.192 -10.100 6.331 4 HB3 GLU 45 HB3 GLU 45 8.291 -10.877 7.627 5 HG2 GLU 45 HG2 GLU 45 8.489 -13.010 6.314 6 HG3 GLU 45 HG3 GLU 45 9.608 -12.156 5.255 No H/Q in entry = 6 In of MODEL 6 1 H ARG 46 H ARG 46 5.646 -10.085 7.681 2 HA ARG 46 HA ARG 46 4.776 -7.569 6.713 3 HB2 ARG 46 HB2 ARG 46 3.693 -9.193 8.477 4 HB3 ARG 46 HB3 ARG 46 4.693 -8.311 9.630 5 HG2 ARG 46 HG2 ARG 46 3.568 -6.255 9.128 6 HG3 ARG 46 HG3 ARG 46 2.743 -6.976 7.763 7 HD2 ARG 46 HD2 ARG 46 1.359 -8.309 9.187 8 HD3 ARG 46 HD3 ARG 46 2.312 -7.857 10.614 9 HE ARG 46 HE ARG 46 1.159 -5.620 9.213 10 HH11 ARG 46 HH11 ARG 46 0.590 -8.088 11.638 11 HH12 ARG 46 HH12 ARG 46 -0.659 -7.191 12.451 12 HH21 ARG 46 HH21 ARG 46 -0.502 -4.445 10.264 13 HH22 ARG 46 HH22 ARG 46 -1.294 -5.120 11.659 No H/Q in entry = 13 In of MODEL 6 1 H ILE 47 H ILE 47 5.336 -5.485 7.327 2 HA ILE 47 HA ILE 47 8.057 -5.061 8.110 3 HB ILE 47 HB ILE 47 5.810 -3.184 7.414 4 HG12 ILE 47 HG12 ILE 47 8.381 -3.902 6.038 5 HG13 ILE 47 HG13 ILE 47 6.798 -4.517 5.596 6 HG21 ILE 47 HG21 ILE 47 8.519 -2.485 8.462 7 HG22 ILE 47 HG22 ILE 47 7.829 -1.508 7.165 8 HG23 ILE 47 HG23 ILE 47 6.963 -1.660 8.701 9 HD11 ILE 47 HD11 ILE 47 6.271 -1.957 5.347 10 HD12 ILE 47 HD12 ILE 47 8.016 -1.855 5.150 11 HD13 ILE 47 HD13 ILE 47 7.059 -2.867 4.062 No H/Q in entry = 11 In of MODEL 6 1 H GLU 48 H GLU 48 5.911 -2.896 9.445 2 HA GLU 48 HA GLU 48 5.529 -3.347 12.005 3 HB2 GLU 48 HB2 GLU 48 7.732 -2.141 12.935 4 HB3 GLU 48 HB3 GLU 48 7.641 -3.876 12.763 5 HG2 GLU 48 HG2 GLU 48 9.226 -3.868 11.296 6 HG3 GLU 48 HG3 GLU 48 8.475 -2.592 10.348 No H/Q in entry = 6 In of MODEL 6 1 H LYS 49 H LYS 49 7.570 -0.825 10.566 2 HA LYS 49 HA LYS 49 6.181 1.217 11.901 3 HB2 LYS 49 HB2 LYS 49 8.046 1.636 9.600 4 HB3 LYS 49 HB3 LYS 49 7.693 2.739 10.929 5 HG2 LYS 49 HG2 LYS 49 8.638 1.115 12.491 6 HG3 LYS 49 HG3 LYS 49 9.034 0.090 11.118 7 HD2 LYS 49 HD2 LYS 49 10.091 2.877 11.596 8 HD3 LYS 49 HD3 LYS 49 10.974 1.386 11.906 9 HE2 LYS 49 HE2 LYS 49 10.949 0.832 9.560 10 HE3 LYS 49 HE3 LYS 49 9.929 2.227 9.209 11 HZ1 LYS 49 HZ1 LYS 49 11.730 3.669 9.972 12 HZ2 LYS 49 HZ2 LYS 49 12.716 2.316 10.248 13 HZ3 LYS 49 HZ3 LYS 49 12.225 2.703 8.671 No H/Q in entry = 13 In of MODEL 6 1 H VAL 50 H VAL 50 4.705 -0.347 9.745 2 HA VAL 50 HA VAL 50 3.978 1.564 7.780 3 HB VAL 50 HB VAL 50 2.343 -0.788 8.722 4 HG11 VAL 50 HG11 VAL 50 1.149 0.944 7.418 5 HG12 VAL 50 HG12 VAL 50 2.312 0.718 6.104 6 HG13 VAL 50 HG13 VAL 50 1.243 -0.610 6.573 7 HG21 VAL 50 HG21 VAL 50 4.697 -1.319 7.981 8 HG22 VAL 50 HG22 VAL 50 3.415 -2.115 7.077 9 HG23 VAL 50 HG23 VAL 50 4.244 -0.720 6.386 No H/Q in entry = 9 In of MODEL 6 1 H GLU 51 H GLU 51 2.679 3.235 7.932 2 HA GLU 51 HA GLU 51 0.715 3.308 10.100 3 HB2 GLU 51 HB2 GLU 51 2.505 5.613 9.308 4 HB3 GLU 51 HB3 GLU 51 1.230 5.663 10.515 5 HG2 GLU 51 HG2 GLU 51 2.455 4.025 11.856 6 HG3 GLU 51 HG3 GLU 51 3.754 4.038 10.662 No H/Q in entry = 6 In of MODEL 6 1 H HIS 52 H HIS 52 -1.139 4.212 9.608 2 HA HIS 52 HA HIS 52 -1.493 5.265 6.894 3 HB2 HIS 52 HB2 HIS 52 -3.917 4.916 7.207 4 HB3 HIS 52 HB3 HIS 52 -2.996 3.427 7.339 5 HD2 HIS 52 HD2 HIS 52 -2.683 2.560 10.135 6 HE1 HIS 52 HE1 HIS 52 -6.251 4.553 11.229 7 HE2 HIS 52 HE2 HIS 52 -4.671 2.659 11.796 No H/Q in entry = 7 In of MODEL 6 1 H SER 53 H SER 53 -1.731 7.361 6.638 2 HA SER 53 HA SER 53 -1.849 9.090 8.957 3 HB2 SER 53 HB2 SER 53 -0.357 9.538 6.979 4 HB3 SER 53 HB3 SER 53 -1.805 9.877 6.033 5 HG SER 53 HG SER 53 -0.597 11.697 7.162 No H/Q in entry = 5 In of MODEL 6 1 H ASP 54 H ASP 54 -3.240 11.281 7.882 2 HA ASP 54 HA ASP 54 -5.847 10.852 8.674 3 HB2 ASP 54 HB2 ASP 54 -4.906 13.100 8.351 4 HB3 ASP 54 HB3 ASP 54 -4.906 12.852 6.608 No H/Q in entry = 4 In of MODEL 6 1 H LEU 55 H LEU 55 -7.420 9.720 7.900 2 HA LEU 55 HA LEU 55 -7.240 7.894 5.909 3 HB2 LEU 55 HB2 LEU 55 -8.967 8.143 7.762 4 HB3 LEU 55 HB3 LEU 55 -9.845 9.202 6.683 5 HG LEU 55 HG LEU 55 -10.580 6.747 6.876 6 HD11 LEU 55 HD11 LEU 55 -11.447 8.275 5.184 7 HD12 LEU 55 HD12 LEU 55 -10.075 7.900 4.143 8 HD13 LEU 55 HD13 LEU 55 -11.245 6.644 4.545 9 HD21 LEU 55 HD21 LEU 55 -8.370 5.754 6.671 10 HD22 LEU 55 HD22 LEU 55 -9.439 5.191 5.388 11 HD23 LEU 55 HD23 LEU 55 -8.216 6.414 5.044 No H/Q in entry = 11 In of MODEL 6 1 H SER 56 H SER 56 -9.642 10.412 5.444 2 HA SER 56 HA SER 56 -8.783 11.718 3.201 3 HB2 SER 56 HB2 SER 56 -8.742 9.393 2.145 4 HB3 SER 56 HB3 SER 56 -10.490 9.344 2.368 5 HG SER 56 HG SER 56 -9.181 11.433 0.966 No H/Q in entry = 5 In of MODEL 6 1 H PHE 57 H PHE 57 -11.007 12.284 1.818 2 HA PHE 57 HA PHE 57 -13.288 11.968 3.596 3 HB2 PHE 57 HB2 PHE 57 -12.357 14.343 3.831 4 HB3 PHE 57 HB3 PHE 57 -12.877 14.597 2.164 5 HD1 PHE 57 HD1 PHE 57 -13.898 14.372 5.615 6 HD2 PHE 57 HD2 PHE 57 -15.301 14.392 1.596 7 HE1 PHE 57 HE1 PHE 57 -16.174 14.858 6.414 8 HE2 PHE 57 HE2 PHE 57 -17.575 14.885 2.389 9 HZ PHE 57 HZ PHE 57 -18.014 15.117 4.799 No H/Q in entry = 9 In of MODEL 6 1 H SER 58 H SER 58 -14.504 10.698 2.483 2 HA SER 58 HA SER 58 -14.998 11.299 -0.358 3 HB2 SER 58 HB2 SER 58 -14.909 8.532 0.869 4 HB3 SER 58 HB3 SER 58 -15.032 8.938 -0.844 5 HG SER 58 HG SER 58 -12.868 10.100 0.300 No H/Q in entry = 5 In of MODEL 6 1 H LYS 59 H LYS 59 -17.194 10.519 -1.083 2 HA LYS 59 HA LYS 59 -19.041 10.737 1.153 3 HB2 LYS 59 HB2 LYS 59 -19.318 11.227 -1.798 4 HB3 LYS 59 HB3 LYS 59 -20.739 11.034 -0.773 5 HG2 LYS 59 HG2 LYS 59 -20.020 12.883 0.623 6 HG3 LYS 59 HG3 LYS 59 -18.545 13.051 -0.327 7 HD2 LYS 59 HD2 LYS 59 -21.244 13.265 -1.609 8 HD3 LYS 59 HD3 LYS 59 -20.515 14.647 -0.793 9 HE2 LYS 59 HE2 LYS 59 -19.311 13.094 -3.082 10 HE3 LYS 59 HE3 LYS 59 -20.051 14.690 -3.187 11 HZ1 LYS 59 HZ1 LYS 59 -18.311 15.402 -1.518 12 HZ2 LYS 59 HZ2 LYS 59 -17.527 13.936 -1.829 13 HZ3 LYS 59 HZ3 LYS 59 -17.753 15.062 -3.080 No H/Q in entry = 13 In of MODEL 6 1 H ASP 60 H ASP 60 -20.808 9.223 -1.334 2 HA ASP 60 HA ASP 60 -20.576 6.788 0.295 3 HB2 ASP 60 HB2 ASP 60 -22.960 7.841 -1.242 4 HB3 ASP 60 HB3 ASP 60 -22.930 6.373 -0.273 No H/Q in entry = 4 In of MODEL 6 1 H TRP 61 H TRP 61 -18.882 7.190 -1.957 2 HA TRP 61 HA TRP 61 -20.006 5.191 -3.767 3 HB2 TRP 61 HB2 TRP 61 -18.536 7.693 -4.585 4 HB3 TRP 61 HB3 TRP 61 -18.895 6.359 -5.679 5 HD1 TRP 61 HD1 TRP 61 -21.627 5.806 -5.961 6 HE1 TRP 61 HE1 TRP 61 -23.586 7.470 -6.077 7 HE3 TRP 61 HE3 TRP 61 -19.355 9.879 -3.881 8 HZ2 TRP 61 HZ2 TRP 61 -24.097 10.148 -5.388 9 HZ3 TRP 61 HZ3 TRP 61 -20.635 11.960 -3.639 10 HH2 TRP 61 HH2 TRP 61 -22.990 12.091 -4.389 No H/Q in entry = 10 In of MODEL 6 1 H SER 62 H SER 62 -16.928 6.872 -3.120 2 HA SER 62 HA SER 62 -15.613 4.316 -2.770 3 HB2 SER 62 HB2 SER 62 -14.865 6.264 -4.972 4 HB3 SER 62 HB3 SER 62 -13.807 4.955 -4.430 5 HG SER 62 HG SER 62 -16.290 4.016 -4.909 No H/Q in entry = 5 In of MODEL 6 1 H PHE 63 H PHE 63 -14.238 4.449 -1.137 2 HA PHE 63 HA PHE 63 -13.410 7.124 -0.229 3 HB2 PHE 63 HB2 PHE 63 -13.330 4.532 1.338 4 HB3 PHE 63 HB3 PHE 63 -13.112 6.155 1.969 5 HD1 PHE 63 HD1 PHE 63 -14.989 7.513 2.573 6 HD2 PHE 63 HD2 PHE 63 -15.566 3.743 0.668 7 HE1 PHE 63 HE1 PHE 63 -17.381 7.565 3.195 8 HE2 PHE 63 HE2 PHE 63 -17.956 3.798 1.270 9 HZ PHE 63 HZ PHE 63 -18.855 5.712 2.533 No H/Q in entry = 9 In of MODEL 6 1 H TYR 64 H TYR 64 -11.248 7.323 0.665 2 HA TYR 64 HA TYR 64 -9.353 5.546 -0.712 3 HB2 TYR 64 HB2 TYR 64 -8.957 8.439 0.113 4 HB3 TYR 64 HB3 TYR 64 -7.786 7.452 -0.748 5 HD1 TYR 64 HD1 TYR 64 -7.769 7.429 -3.089 6 HD2 TYR 64 HD2 TYR 64 -11.187 8.918 -1.045 7 HE1 TYR 64 HE1 TYR 64 -8.690 8.236 -5.224 8 HE2 TYR 64 HE2 TYR 64 -12.123 9.712 -3.168 9 HH TYR 64 HH TYR 64 -11.263 10.393 -5.411 No H/Q in entry = 9 In of MODEL 6 1 H LEU 65 H LEU 65 -7.670 4.690 0.457 2 HA LEU 65 HA LEU 65 -7.119 5.712 3.123 3 HB2 LEU 65 HB2 LEU 65 -8.650 4.069 3.734 4 HB3 LEU 65 HB3 LEU 65 -8.100 2.941 2.518 5 HG LEU 65 HG LEU 65 -6.123 3.579 4.620 6 HD11 LEU 65 HD11 LEU 65 -8.378 3.532 5.774 7 HD12 LEU 65 HD12 LEU 65 -8.492 1.847 5.269 8 HD13 LEU 65 HD13 LEU 65 -7.190 2.360 6.339 9 HD21 LEU 65 HD21 LEU 65 -7.180 1.040 3.380 10 HD22 LEU 65 HD22 LEU 65 -5.731 1.911 2.883 11 HD23 LEU 65 HD23 LEU 65 -5.802 1.156 4.475 No H/Q in entry = 11 In of MODEL 6 1 H LEU 66 H LEU 66 -5.050 5.732 3.617 2 HA LEU 66 HA LEU 66 -3.199 4.711 1.566 3 HB2 LEU 66 HB2 LEU 66 -3.656 7.287 2.174 4 HB3 LEU 66 HB3 LEU 66 -2.457 6.935 3.379 5 HG LEU 66 HG LEU 66 -2.049 6.656 0.417 6 HD11 LEU 66 HD11 LEU 66 -1.163 8.762 2.379 7 HD12 LEU 66 HD12 LEU 66 -0.531 8.609 0.743 8 HD13 LEU 66 HD13 LEU 66 -2.237 8.973 1.000 9 HD21 LEU 66 HD21 LEU 66 -0.089 6.357 2.685 10 HD22 LEU 66 HD22 LEU 66 -0.654 5.080 1.610 11 HD23 LEU 66 HD23 LEU 66 0.335 6.398 0.971 No H/Q in entry = 11 In of MODEL 6 1 H TYR 67 H TYR 67 -1.579 3.435 2.199 2 HA TYR 67 HA TYR 67 -0.861 3.364 5.049 3 HB2 TYR 67 HB2 TYR 67 -1.570 1.118 3.248 4 HB3 TYR 67 HB3 TYR 67 -0.219 0.870 4.347 5 HD1 TYR 67 HD1 TYR 67 -3.804 0.950 4.021 6 HD2 TYR 67 HD2 TYR 67 -0.603 1.160 6.825 7 HE1 TYR 67 HE1 TYR 67 -5.327 0.290 5.817 8 HE2 TYR 67 HE2 TYR 67 -2.146 0.536 8.635 9 HH TYR 67 HH TYR 67 -5.045 -0.858 8.174 No H/Q in entry = 9 In of MODEL 6 1 H TYR 68 H TYR 68 1.130 4.052 5.306 2 HA TYR 68 HA TYR 68 3.105 3.363 3.231 3 HB2 TYR 68 HB2 TYR 68 4.065 5.629 3.330 4 HB3 TYR 68 HB3 TYR 68 2.382 5.674 2.790 5 HD1 TYR 68 HD1 TYR 68 4.715 6.561 5.481 6 HD2 TYR 68 HD2 TYR 68 0.667 6.664 4.182 7 HE1 TYR 68 HE1 TYR 68 4.215 8.246 7.199 8 HE2 TYR 68 HE2 TYR 68 0.154 8.358 5.886 9 HH TYR 68 HH TYR 68 2.515 10.065 7.551 No H/Q in entry = 9 In of MODEL 6 1 H THR 69 H THR 69 5.364 3.755 3.957 2 HA THR 69 HA THR 69 5.792 3.910 6.820 3 HB THR 69 HB THR 69 5.399 1.479 6.430 4 HG1 THR 69 HG1 THR 69 7.070 2.472 7.943 5 HG21 THR 69 HG21 THR 69 7.821 1.719 4.640 6 HG22 THR 69 HG22 THR 69 7.178 0.195 5.243 7 HG23 THR 69 HG23 THR 69 6.197 1.201 4.176 No H/Q in entry = 7 In of MODEL 6 1 H GLU 70 H GLU 70 7.794 4.641 7.343 2 HA GLU 70 HA GLU 70 9.449 5.671 5.206 3 HB2 GLU 70 HB2 GLU 70 8.994 6.936 7.329 4 HB3 GLU 70 HB3 GLU 70 9.856 5.687 8.213 5 HG2 GLU 70 HG2 GLU 70 11.899 6.245 6.971 6 HG3 GLU 70 HG3 GLU 70 11.021 7.533 6.147 No H/Q in entry = 6 In of MODEL 6 1 H PHE 71 H PHE 71 11.308 4.724 4.487 2 HA PHE 71 HA PHE 71 12.336 2.391 5.852 3 HB2 PHE 71 HB2 PHE 71 12.032 0.847 3.994 4 HB3 PHE 71 HB3 PHE 71 10.468 1.453 4.516 5 HD1 PHE 71 HD1 PHE 71 11.376 0.133 1.841 6 HD2 PHE 71 HD2 PHE 71 10.716 4.151 3.063 7 HE1 PHE 71 HE1 PHE 71 10.842 0.732 -0.482 8 HE2 PHE 71 HE2 PHE 71 10.193 4.771 0.728 9 HZ PHE 71 HZ PHE 71 10.266 3.066 -1.054 No H/Q in entry = 9 In of MODEL 6 1 H THR 72 H THR 72 14.354 1.604 4.788 2 HA THR 72 HA THR 72 15.567 3.698 3.112 3 HB THR 72 HB THR 72 17.008 1.891 5.063 4 HG1 THR 72 HG1 THR 72 15.555 4.127 5.466 5 HG21 THR 72 HG21 THR 72 18.399 2.690 3.194 6 HG22 THR 72 HG22 THR 72 17.935 4.355 3.561 7 HG23 THR 72 HG23 THR 72 18.887 3.424 4.721 No H/Q in entry = 7 In of MODEL 6 1 HA PRO 73 HA PRO 73 15.189 -0.034 0.365 2 HB2 PRO 73 HB2 PRO 73 15.958 1.623 -1.800 3 HB3 PRO 73 HB3 PRO 73 14.308 1.139 -1.379 4 HG2 PRO 73 HG2 PRO 73 15.769 3.660 -0.758 5 HG3 PRO 73 HG3 PRO 73 14.043 3.418 -1.099 6 HD2 PRO 73 HD2 PRO 73 14.913 3.866 1.388 7 HD3 PRO 73 HD3 PRO 73 13.589 2.716 1.072 No H/Q in entry = 7 In of MODEL 6 1 H THR 74 H THR 74 16.734 -1.298 -0.456 2 HA THR 74 HA THR 74 19.477 -0.322 -0.576 3 HB THR 74 HB THR 74 20.338 -2.242 0.635 4 HG1 THR 74 HG1 THR 74 18.831 -3.674 1.683 5 HG21 THR 74 HG21 THR 74 18.141 -0.907 2.214 6 HG22 THR 74 HG22 THR 74 19.510 -1.785 2.895 7 HG23 THR 74 HG23 THR 74 19.779 -0.291 1.996 No H/Q in entry = 7 In of MODEL 6 1 H GLU 75 H GLU 75 20.889 -2.051 -1.605 2 HA GLU 75 HA GLU 75 19.863 -2.972 -4.024 3 HB2 GLU 75 HB2 GLU 75 22.280 -2.637 -3.378 4 HB3 GLU 75 HB3 GLU 75 22.200 -4.152 -2.509 5 HG2 GLU 75 HG2 GLU 75 21.553 -4.001 -5.429 6 HG3 GLU 75 HG3 GLU 75 23.213 -4.115 -4.851 No H/Q in entry = 6 In of MODEL 6 1 H LYS 76 H LYS 76 20.314 -4.685 -0.956 2 HA LYS 76 HA LYS 76 19.692 -7.193 -2.176 3 HB2 LYS 76 HB2 LYS 76 20.428 -6.459 0.647 4 HB3 LYS 76 HB3 LYS 76 20.232 -8.106 0.069 5 HG2 LYS 76 HG2 LYS 76 22.364 -8.116 -0.558 6 HG3 LYS 76 HG3 LYS 76 22.029 -6.810 -1.692 7 HD2 LYS 76 HD2 LYS 76 22.176 -5.445 0.652 8 HD3 LYS 76 HD3 LYS 76 23.334 -6.748 0.934 9 HE2 LYS 76 HE2 LYS 76 23.353 -4.682 -1.257 10 HE3 LYS 76 HE3 LYS 76 24.583 -4.979 -0.030 11 HZ1 LYS 76 HZ1 LYS 76 24.909 -7.201 -1.101 12 HZ2 LYS 76 HZ2 LYS 76 23.907 -6.669 -2.369 13 HZ3 LYS 76 HZ3 LYS 76 25.368 -5.870 -2.056 No H/Q in entry = 13 In of MODEL 6 1 H ASP 77 H ASP 77 17.911 -4.893 -0.185 2 HA ASP 77 HA ASP 77 16.111 -7.013 0.725 3 HB2 ASP 77 HB2 ASP 77 16.945 -4.661 1.914 4 HB3 ASP 77 HB3 ASP 77 15.302 -4.294 1.388 No H/Q in entry = 4 In of MODEL 6 1 H GLU 78 H GLU 78 13.651 -6.159 0.791 2 HA GLU 78 HA GLU 78 12.790 -4.893 -1.641 3 HB2 GLU 78 HB2 GLU 78 13.230 -7.001 -2.668 4 HB3 GLU 78 HB3 GLU 78 12.641 -7.876 -1.268 5 HG2 GLU 78 HG2 GLU 78 10.607 -6.232 -2.630 6 HG3 GLU 78 HG3 GLU 78 11.246 -7.598 -3.552 No H/Q in entry = 6 In of MODEL 6 1 H TYR 79 H TYR 79 10.601 -4.314 -1.512 2 HA TYR 79 HA TYR 79 9.180 -5.205 0.876 3 HB2 TYR 79 HB2 TYR 79 8.859 -2.369 -0.080 4 HB3 TYR 79 HB3 TYR 79 8.504 -3.052 1.507 5 HD1 TYR 79 HD1 TYR 79 9.937 -2.587 3.255 6 HD2 TYR 79 HD2 TYR 79 11.434 -2.367 -0.723 7 HE1 TYR 79 HE1 TYR 79 12.073 -1.700 4.112 8 HE2 TYR 79 HE2 TYR 79 13.575 -1.504 0.122 9 HH TYR 79 HH TYR 79 14.477 -0.377 2.085 No H/Q in entry = 9 In of MODEL 6 1 H ALA 80 H ALA 80 6.889 -5.081 0.792 2 HA ALA 80 HA ALA 80 5.787 -5.050 -1.942 3 HB1 ALA 80 HB1 ALA 80 6.538 -7.345 -1.477 4 HB2 ALA 80 HB2 ALA 80 4.792 -7.229 -1.712 5 HB3 ALA 80 HB3 ALA 80 5.450 -7.393 -0.081 No H/Q in entry = 5 In of MODEL 6 1 H CYS 81 H CYS 81 3.350 -5.160 -1.972 2 HA CYS 81 HA CYS 81 2.197 -4.035 0.501 3 HB2 CYS 81 HB2 CYS 81 1.859 -3.385 -2.375 4 HB3 CYS 81 HB3 CYS 81 0.397 -3.361 -1.395 No H/Q in entry = 4 In of MODEL 6 1 H ARG 82 H ARG 82 0.544 -5.154 1.434 2 HA ARG 82 HA ARG 82 -0.794 -7.281 -0.145 3 HB2 ARG 82 HB2 ARG 82 0.733 -7.896 1.894 4 HB3 ARG 82 HB3 ARG 82 -0.622 -7.294 2.843 5 HG2 ARG 82 HG2 ARG 82 -2.080 -8.923 1.624 6 HG3 ARG 82 HG3 ARG 82 -0.604 -9.624 0.957 7 HD2 ARG 82 HD2 ARG 82 -1.332 -9.403 3.879 8 HD3 ARG 82 HD3 ARG 82 -1.310 -10.875 2.915 9 HE ARG 82 HE ARG 82 1.056 -9.342 3.754 10 HH11 ARG 82 HH11 ARG 82 -0.404 -12.298 2.548 11 HH12 ARG 82 HH12 ARG 82 1.029 -13.249 2.817 12 HH21 ARG 82 HH21 ARG 82 2.925 -10.632 4.124 13 HH22 ARG 82 HH22 ARG 82 2.892 -12.316 3.704 No H/Q in entry = 13 In of MODEL 6 1 H VAL 83 H VAL 83 -3.032 -7.195 -0.216 2 HA VAL 83 HA VAL 83 -4.344 -5.584 1.884 3 HB VAL 83 HB VAL 83 -5.743 -4.389 0.529 4 HG11 VAL 83 HG11 VAL 83 -3.256 -4.699 -1.101 5 HG12 VAL 83 HG12 VAL 83 -4.421 -3.383 -1.244 6 HG13 VAL 83 HG13 VAL 83 -3.511 -3.596 0.252 7 HG21 VAL 83 HG21 VAL 83 -6.620 -6.271 -0.764 8 HG22 VAL 83 HG22 VAL 83 -6.289 -4.868 -1.781 9 HG23 VAL 83 HG23 VAL 83 -5.177 -6.236 -1.777 No H/Q in entry = 9 In of MODEL 6 1 H ASN 84 H ASN 84 -6.264 -6.245 2.594 2 HA ASN 84 HA ASN 84 -7.239 -8.842 1.622 3 HB2 ASN 84 HB2 ASN 84 -7.595 -7.645 4.392 4 HB3 ASN 84 HB3 ASN 84 -8.068 -9.257 3.889 5 HD21 ASN 84 HD21 ASN 84 -5.287 -7.164 4.415 6 HD22 ASN 84 HD22 ASN 84 -4.170 -8.437 4.777 No H/Q in entry = 6 In of MODEL 6 1 H HIS 85 H HIS 85 -9.163 -8.642 0.472 2 HA HIS 85 HA HIS 85 -11.314 -7.256 1.856 3 HB2 HIS 85 HB2 HIS 85 -10.238 -5.815 -0.055 4 HB3 HIS 85 HB3 HIS 85 -11.051 -6.952 -1.127 5 HD2 HIS 85 HD2 HIS 85 -12.075 -4.368 1.683 6 HE1 HIS 85 HE1 HIS 85 -15.279 -4.953 -1.024 7 HE2 HIS 85 HE2 HIS 85 -14.392 -3.521 0.867 No H/Q in entry = 7 In of MODEL 6 1 H VAL 86 H VAL 86 -13.438 -8.054 1.032 2 HA VAL 86 HA VAL 86 -13.329 -10.887 0.878 3 HB VAL 86 HB VAL 86 -15.760 -10.836 0.738 4 HG11 VAL 86 HG11 VAL 86 -14.735 -10.531 2.924 5 HG12 VAL 86 HG12 VAL 86 -14.681 -8.786 2.670 6 HG13 VAL 86 HG13 VAL 86 -16.234 -9.611 2.809 7 HG21 VAL 86 HG21 VAL 86 -15.995 -8.955 -0.826 8 HG22 VAL 86 HG22 VAL 86 -17.007 -8.746 0.605 9 HG23 VAL 86 HG23 VAL 86 -15.501 -7.839 0.446 No H/Q in entry = 9 In of MODEL 6 1 H THR 87 H THR 87 -13.373 -8.406 -1.495 2 HA THR 87 HA THR 87 -14.682 -9.790 -3.578 3 HB THR 87 HB THR 87 -13.517 -8.054 -5.002 4 HG1 THR 87 HG1 THR 87 -12.848 -6.604 -2.739 5 HG21 THR 87 HG21 THR 87 -15.192 -7.259 -2.640 6 HG22 THR 87 HG22 THR 87 -14.731 -6.112 -3.903 7 HG23 THR 87 HG23 THR 87 -15.707 -7.527 -4.307 No H/Q in entry = 7 In of MODEL 6 1 H LEU 88 H LEU 88 -11.308 -9.293 -2.715 2 HA LEU 88 HA LEU 88 -10.221 -10.469 -5.043 3 HB2 LEU 88 HB2 LEU 88 -9.025 -10.078 -2.296 4 HB3 LEU 88 HB3 LEU 88 -8.114 -10.645 -3.684 5 HG LEU 88 HG LEU 88 -9.385 -7.930 -3.321 6 HD11 LEU 88 HD11 LEU 88 -7.207 -8.331 -2.190 7 HD12 LEU 88 HD12 LEU 88 -6.512 -8.746 -3.767 8 HD13 LEU 88 HD13 LEU 88 -7.116 -7.109 -3.476 9 HD21 LEU 88 HD21 LEU 88 -8.006 -9.078 -5.745 10 HD22 LEU 88 HD22 LEU 88 -9.718 -8.676 -5.616 11 HD23 LEU 88 HD23 LEU 88 -8.504 -7.398 -5.543 No H/Q in entry = 11 In of MODEL 6 1 H SER 89 H SER 89 -11.610 -11.728 -2.224 2 HA SER 89 HA SER 89 -11.993 -13.735 -1.329 3 HB2 SER 89 HB2 SER 89 -12.117 -15.702 -2.704 4 HB3 SER 89 HB3 SER 89 -12.715 -14.338 -3.639 5 HG SER 89 HG SER 89 -10.295 -14.341 -4.321 No H/Q in entry = 5 In of MODEL 6 1 H GLN 90 H GLN 90 -8.890 -13.088 -2.652 2 HA GLN 90 HA GLN 90 -7.625 -14.643 -0.554 3 HB2 GLN 90 HB2 GLN 90 -6.407 -14.552 -3.305 4 HB3 GLN 90 HB3 GLN 90 -6.065 -15.670 -1.998 5 HG2 GLN 90 HG2 GLN 90 -8.605 -15.648 -3.606 6 HG3 GLN 90 HG3 GLN 90 -7.223 -16.696 -3.926 7 HE21 GLN 90 HE21 GLN 90 -9.971 -17.388 -3.257 8 HE22 GLN 90 HE22 GLN 90 -9.883 -18.346 -1.808 No H/Q in entry = 8 In of MODEL 6 1 HA PRO 91 HA PRO 91 -6.062 -10.391 -0.100 2 HB2 PRO 91 HB2 PRO 91 -3.907 -12.043 1.179 3 HB3 PRO 91 HB3 PRO 91 -4.607 -10.499 1.710 4 HG2 PRO 91 HG2 PRO 91 -5.423 -12.702 2.877 5 HG3 PRO 91 HG3 PRO 91 -6.634 -11.506 2.341 6 HD2 PRO 91 HD2 PRO 91 -5.847 -14.128 1.072 7 HD3 PRO 91 HD3 PRO 91 -7.474 -13.396 1.228 No H/Q in entry = 7 In of MODEL 6 1 H LYS 92 H LYS 92 -4.365 -9.151 -0.944 2 HA LYS 92 HA LYS 92 -3.153 -10.505 -3.255 3 HB2 LYS 92 HB2 LYS 92 -5.036 -8.813 -3.572 4 HB3 LYS 92 HB3 LYS 92 -3.858 -7.597 -3.093 5 HG2 LYS 92 HG2 LYS 92 -3.980 -7.822 -5.519 6 HG3 LYS 92 HG3 LYS 92 -2.394 -8.307 -4.890 7 HD2 LYS 92 HD2 LYS 92 -2.644 -10.406 -5.581 8 HD3 LYS 92 HD3 LYS 92 -4.265 -10.503 -4.899 9 HE2 LYS 92 HE2 LYS 92 -4.421 -10.867 -7.258 10 HE3 LYS 92 HE3 LYS 92 -5.143 -9.307 -6.858 11 HZ1 LYS 92 HZ1 LYS 92 -2.393 -9.678 -7.919 12 HZ2 LYS 92 HZ2 LYS 92 -3.738 -9.238 -8.853 13 HZ3 LYS 92 HZ3 LYS 92 -3.171 -8.197 -7.645 No H/Q in entry = 13 In of MODEL 6 1 H ILE 93 H ILE 93 -1.004 -10.395 -3.476 2 HA ILE 93 HA ILE 93 0.430 -8.292 -1.986 3 HB ILE 93 HB ILE 93 1.482 -10.964 -2.916 4 HG12 ILE 93 HG12 ILE 93 1.958 -11.142 -0.365 5 HG13 ILE 93 HG13 ILE 93 0.743 -9.885 -0.211 6 HG21 ILE 93 HG21 ILE 93 3.174 -9.238 -3.156 7 HG22 ILE 93 HG22 ILE 93 2.922 -8.745 -1.478 8 HG23 ILE 93 HG23 ILE 93 3.583 -10.342 -1.836 9 HD11 ILE 93 HD11 ILE 93 0.336 -12.591 -1.459 10 HD12 ILE 93 HD12 ILE 93 -0.201 -12.093 0.144 11 HD13 ILE 93 HD13 ILE 93 -0.890 -11.336 -1.292 No H/Q in entry = 11 In of MODEL 6 1 H VAL 94 H VAL 94 1.444 -6.822 -3.118 2 HA VAL 94 HA VAL 94 2.417 -7.492 -5.804 3 HB VAL 94 HB VAL 94 1.180 -4.852 -4.983 4 HG11 VAL 94 HG11 VAL 94 2.436 -5.686 -7.596 5 HG12 VAL 94 HG12 VAL 94 1.557 -4.181 -7.320 6 HG13 VAL 94 HG13 VAL 94 3.070 -4.490 -6.465 7 HG21 VAL 94 HG21 VAL 94 0.274 -6.934 -6.970 8 HG22 VAL 94 HG22 VAL 94 -0.489 -6.565 -5.422 9 HG23 VAL 94 HG23 VAL 94 -0.488 -5.362 -6.714 No H/Q in entry = 9 In of MODEL 6 1 H LYS 95 H LYS 95 4.476 -7.035 -6.107 2 HA LYS 95 HA LYS 95 5.997 -6.079 -3.825 3 HB2 LYS 95 HB2 LYS 95 6.772 -7.299 -6.440 4 HB3 LYS 95 HB3 LYS 95 7.957 -6.581 -5.361 5 HG2 LYS 95 HG2 LYS 95 7.354 -8.141 -3.614 6 HG3 LYS 95 HG3 LYS 95 6.131 -8.856 -4.669 7 HD2 LYS 95 HD2 LYS 95 7.665 -9.859 -6.012 8 HD3 LYS 95 HD3 LYS 95 8.875 -8.608 -5.727 9 HE2 LYS 95 HE2 LYS 95 9.261 -10.981 -4.779 10 HE3 LYS 95 HE3 LYS 95 9.611 -9.582 -3.769 11 HZ1 LYS 95 HZ1 LYS 95 6.992 -10.948 -3.645 12 HZ2 LYS 95 HZ2 LYS 95 8.324 -11.502 -2.755 13 HZ3 LYS 95 HZ3 LYS 95 7.728 -9.942 -2.494 No H/Q in entry = 13 In of MODEL 6 1 H TRP 96 H TRP 96 7.292 -4.313 -3.773 2 HA TRP 96 HA TRP 96 6.482 -2.122 -5.447 3 HB2 TRP 96 HB2 TRP 96 6.829 -1.763 -3.049 4 HB3 TRP 96 HB3 TRP 96 8.506 -2.289 -3.176 5 HD1 TRP 96 HD1 TRP 96 6.240 0.590 -4.448 6 HE1 TRP 96 HE1 TRP 96 7.707 2.694 -4.696 7 HE3 TRP 96 HE3 TRP 96 10.782 -1.445 -3.295 8 HZ2 TRP 96 HZ2 TRP 96 10.422 3.396 -4.442 9 HZ3 TRP 96 HZ3 TRP 96 12.769 0.000 -3.321 10 HH2 TRP 96 HH2 TRP 96 12.589 2.388 -3.888 No H/Q in entry = 10 In of MODEL 6 1 H ASP 97 H ASP 97 7.599 -1.098 -6.971 2 HA ASP 97 HA ASP 97 10.470 -1.441 -7.198 3 HB2 ASP 97 HB2 ASP 97 9.107 -3.056 -8.884 4 HB3 ASP 97 HB3 ASP 97 9.169 -1.571 -9.841 No H/Q in entry = 4 In of MODEL 6 1 H ARG 98 H ARG 98 11.332 0.069 -8.859 2 HA ARG 98 HA ARG 98 9.900 2.596 -8.475 3 HB2 ARG 98 HB2 ARG 98 12.080 3.647 -8.536 4 HB3 ARG 98 HB3 ARG 98 12.119 2.305 -7.415 5 HG2 ARG 98 HG2 ARG 98 13.881 1.498 -8.441 6 HG3 ARG 98 HG3 ARG 98 12.921 1.280 -9.903 7 HD2 ARG 98 HD2 ARG 98 14.919 2.608 -10.344 8 HD3 ARG 98 HD3 ARG 98 13.454 3.558 -10.596 9 HE ARG 98 HE ARG 98 15.019 3.743 -8.100 10 HH11 ARG 98 HH11 ARG 98 13.483 5.221 -10.894 11 HH12 ARG 98 HH12 ARG 98 13.737 6.846 -10.319 12 HH21 ARG 98 HH21 ARG 98 15.348 5.883 -7.356 13 HH22 ARG 98 HH22 ARG 98 14.786 7.225 -8.314 No H/Q in entry = 13 In of MODEL 6 1 H ASP 99 H ASP 99 11.237 0.460 -10.819 2 HA ASP 99 HA ASP 99 10.254 2.022 -13.038 3 HB2 ASP 99 HB2 ASP 99 13.145 2.011 -12.326 4 HB3 ASP 99 HB3 ASP 99 12.724 1.906 -14.031 No H/Q in entry = 4 In of MODEL 6 1 H MET 100 H MET 100 11.258 -0.800 -11.600 2 HA MET 100 HA MET 100 11.949 -2.883 -12.303 3 HB2 MET 100 HB2 MET 100 9.743 -2.334 -14.290 4 HB3 MET 100 HB3 MET 100 10.221 -3.899 -13.629 5 HG2 MET 100 HG2 MET 100 9.400 -3.387 -11.511 6 HG3 MET 100 HG3 MET 100 9.312 -1.653 -11.863 7 HE1 MET 100 HE1 MET 100 8.195 -4.651 -14.145 8 HE2 MET 100 HE2 MET 100 7.737 -5.214 -12.536 9 HE3 MET 100 HE3 MET 100 6.491 -4.819 -13.722 No H/Q in entry = 9 In of MODEL 7 1 HA ILE 2 HA ILE 2 -21.372 -9.822 -4.105 2 HB ILE 2 HB ILE 2 -20.411 -9.494 -6.499 3 HG12 ILE 2 HG12 ILE 2 -22.274 -8.560 -8.011 4 HG13 ILE 2 HG13 ILE 2 -22.881 -7.760 -6.569 5 HG21 ILE 2 HG21 ILE 2 -23.229 -10.413 -5.985 6 HG22 ILE 2 HG22 ILE 2 -22.281 -10.801 -7.422 7 HG23 ILE 2 HG23 ILE 2 -21.755 -11.370 -5.836 8 HD11 ILE 2 HD11 ILE 2 -20.152 -7.374 -7.772 9 HD12 ILE 2 HD12 ILE 2 -21.522 -6.275 -7.921 10 HD13 ILE 2 HD13 ILE 2 -20.783 -6.553 -6.343 No H/Q in entry = 10 In of MODEL 7 1 H GLN 3 H GLN 3 -21.130 -6.522 -3.870 2 HA GLN 3 HA GLN 3 -19.501 -5.174 -3.056 3 HB2 GLN 3 HB2 GLN 3 -19.004 -7.474 -1.821 4 HB3 GLN 3 HB3 GLN 3 -17.566 -7.435 -2.820 5 HG2 GLN 3 HG2 GLN 3 -16.977 -6.498 -0.725 6 HG3 GLN 3 HG3 GLN 3 -17.080 -5.160 -1.878 7 HE21 GLN 3 HE21 GLN 3 -18.836 -3.715 -1.742 8 HE22 GLN 3 HE22 GLN 3 -19.799 -3.602 -0.304 No H/Q in entry = 8 In of MODEL 7 1 H ARG 4 H ARG 4 -17.045 -4.581 -3.480 2 HA ARG 4 HA ARG 4 -16.447 -5.122 -6.307 3 HB2 ARG 4 HB2 ARG 4 -17.287 -2.862 -6.179 4 HB3 ARG 4 HB3 ARG 4 -16.263 -2.507 -4.794 5 HG2 ARG 4 HG2 ARG 4 -14.359 -2.258 -6.050 6 HG3 ARG 4 HG3 ARG 4 -14.935 -3.326 -7.338 7 HD2 ARG 4 HD2 ARG 4 -14.835 -1.037 -8.136 8 HD3 ARG 4 HD3 ARG 4 -16.517 -1.560 -8.066 9 HE ARG 4 HE ARG 4 -15.391 -0.006 -5.839 10 HH11 ARG 4 HH11 ARG 4 -17.653 -0.283 -8.500 11 HH12 ARG 4 HH12 ARG 4 -18.468 1.215 -8.130 12 HH21 ARG 4 HH21 ARG 4 -16.454 1.979 -5.373 13 HH22 ARG 4 HH22 ARG 4 -17.768 2.502 -6.378 No H/Q in entry = 13 In of MODEL 7 1 H THR 5 H THR 5 -14.339 -5.614 -6.776 2 HA THR 5 HA THR 5 -12.749 -6.447 -4.548 3 HB THR 5 HB THR 5 -11.212 -7.392 -6.124 4 HG1 THR 5 HG1 THR 5 -12.203 -5.384 -7.768 5 HG21 THR 5 HG21 THR 5 -14.080 -7.609 -6.990 6 HG22 THR 5 HG22 THR 5 -12.796 -8.517 -7.792 7 HG23 THR 5 HG23 THR 5 -13.102 -8.757 -6.078 No H/Q in entry = 7 In of MODEL 7 1 HA PRO 6 HA PRO 6 -10.544 -2.521 -4.344 2 HB2 PRO 6 HB2 PRO 6 -8.917 -3.714 -2.262 3 HB3 PRO 6 HB3 PRO 6 -10.090 -2.404 -2.129 4 HG2 PRO 6 HG2 PRO 6 -10.442 -4.912 -1.059 5 HG3 PRO 6 HG3 PRO 6 -11.769 -3.800 -1.476 6 HD2 PRO 6 HD2 PRO 6 -10.743 -6.202 -2.949 7 HD3 PRO 6 HD3 PRO 6 -12.398 -5.559 -2.831 No H/Q in entry = 7 In of MODEL 7 1 H LYS 7 H LYS 7 -8.861 -2.022 -5.591 2 HA LYS 7 HA LYS 7 -7.084 -4.215 -6.382 3 HB2 LYS 7 HB2 LYS 7 -8.434 -2.880 -8.090 4 HB3 LYS 7 HB3 LYS 7 -7.367 -1.529 -7.735 5 HG2 LYS 7 HG2 LYS 7 -5.451 -2.803 -8.488 6 HG3 LYS 7 HG3 LYS 7 -6.473 -4.216 -8.764 7 HD2 LYS 7 HD2 LYS 7 -6.636 -1.562 -10.191 8 HD3 LYS 7 HD3 LYS 7 -6.050 -3.086 -10.863 9 HE2 LYS 7 HE2 LYS 7 -8.860 -2.475 -9.947 10 HE3 LYS 7 HE3 LYS 7 -8.315 -2.664 -11.613 11 HZ1 LYS 7 HZ1 LYS 7 -7.713 -4.979 -11.062 12 HZ2 LYS 7 HZ2 LYS 7 -8.391 -4.774 -9.521 13 HZ3 LYS 7 HZ3 LYS 7 -9.372 -4.672 -10.897 No H/Q in entry = 13 In of MODEL 7 1 H ILE 8 H ILE 8 -4.835 -3.807 -6.617 2 HA ILE 8 HA ILE 8 -3.911 -2.151 -4.381 3 HB ILE 8 HB ILE 8 -2.600 -4.489 -5.782 4 HG12 ILE 8 HG12 ILE 8 -2.724 -5.628 -3.694 5 HG13 ILE 8 HG13 ILE 8 -3.123 -4.152 -2.840 6 HG21 ILE 8 HG21 ILE 8 -1.429 -2.621 -3.740 7 HG22 ILE 8 HG22 ILE 8 -0.730 -4.174 -4.188 8 HG23 ILE 8 HG23 ILE 8 -0.868 -2.891 -5.391 9 HD11 ILE 8 HD11 ILE 8 -4.937 -5.466 -4.826 10 HD12 ILE 8 HD12 ILE 8 -4.978 -5.764 -3.088 11 HD13 ILE 8 HD13 ILE 8 -5.322 -4.148 -3.715 No H/Q in entry = 11 In of MODEL 7 1 H GLN 9 H GLN 9 -3.148 -0.238 -4.857 2 HA GLN 9 HA GLN 9 -1.358 -0.011 -7.183 3 HB2 GLN 9 HB2 GLN 9 -3.223 2.010 -5.948 4 HB3 GLN 9 HB3 GLN 9 -1.871 2.504 -6.973 5 HG2 GLN 9 HG2 GLN 9 -3.704 2.485 -8.396 6 HG3 GLN 9 HG3 GLN 9 -2.908 0.949 -8.726 7 HE21 GLN 9 HE21 GLN 9 -4.792 1.517 -5.841 8 HE22 GLN 9 HE22 GLN 9 -6.101 0.460 -6.261 No H/Q in entry = 8 In of MODEL 7 1 H VAL 10 H VAL 10 0.693 0.148 -6.574 2 HA VAL 10 HA VAL 10 1.328 1.582 -4.101 3 HB VAL 10 HB VAL 10 1.481 -0.629 -3.297 4 HG11 VAL 10 HG11 VAL 10 1.299 -1.766 -5.459 5 HG12 VAL 10 HG12 VAL 10 3.001 -1.421 -5.773 6 HG13 VAL 10 HG13 VAL 10 2.545 -2.470 -4.428 7 HG21 VAL 10 HG21 VAL 10 4.250 0.171 -4.195 8 HG22 VAL 10 HG22 VAL 10 3.449 0.640 -2.694 9 HG23 VAL 10 HG23 VAL 10 3.898 -1.046 -2.968 No H/Q in entry = 9 In of MODEL 7 1 H TYR 11 H TYR 11 2.947 2.931 -4.243 2 HA TYR 11 HA TYR 11 5.091 2.676 -6.095 3 HB2 TYR 11 HB2 TYR 11 4.573 4.787 -7.372 4 HB3 TYR 11 HB3 TYR 11 3.514 3.437 -7.744 5 HD1 TYR 11 HD1 TYR 11 3.710 6.636 -5.866 6 HD2 TYR 11 HD2 TYR 11 1.187 3.618 -7.489 7 HE1 TYR 11 HE1 TYR 11 1.748 8.067 -5.470 8 HE2 TYR 11 HE2 TYR 11 -0.777 5.039 -7.090 9 HH TYR 11 HH TYR 11 -1.517 6.879 -5.892 No H/Q in entry = 9 In of MODEL 7 1 H SER 12 H SER 12 6.467 4.714 -6.033 2 HA SER 12 HA SER 12 6.928 5.334 -3.276 3 HB2 SER 12 HB2 SER 12 8.690 6.902 -4.599 4 HB3 SER 12 HB3 SER 12 8.933 5.154 -4.492 5 HG SER 12 HG SER 12 9.102 5.675 -6.636 No H/Q in entry = 5 In of MODEL 7 1 H ARG 13 H ARG 13 6.377 7.141 -2.155 2 HA ARG 13 HA ARG 13 4.384 8.858 -3.249 3 HB2 ARG 13 HB2 ARG 13 4.750 8.127 -0.786 4 HB3 ARG 13 HB3 ARG 13 5.969 9.379 -0.719 5 HG2 ARG 13 HG2 ARG 13 3.047 9.867 -1.298 6 HG3 ARG 13 HG3 ARG 13 3.828 10.049 0.264 7 HD2 ARG 13 HD2 ARG 13 4.530 11.589 -2.226 8 HD3 ARG 13 HD3 ARG 13 3.571 12.190 -0.882 9 HE ARG 13 HE ARG 13 6.410 12.032 -1.027 10 HH11 ARG 13 HH11 ARG 13 3.738 11.809 1.241 11 HH12 ARG 13 HH12 ARG 13 4.667 12.443 2.571 12 HH21 ARG 13 HH21 ARG 13 7.611 12.871 0.723 13 HH22 ARG 13 HH22 ARG 13 6.856 13.049 2.274 No H/Q in entry = 13 In of MODEL 7 1 H HIS 14 H HIS 14 7.748 9.424 -2.284 2 HA HIS 14 HA HIS 14 7.841 11.590 -4.256 3 HB2 HIS 14 HB2 HIS 14 8.871 11.502 -1.452 4 HB3 HIS 14 HB3 HIS 14 9.844 12.358 -2.643 5 HD2 HIS 14 HD2 HIS 14 6.573 13.216 -3.925 6 HE1 HIS 14 HE1 HIS 14 7.075 15.857 -0.659 7 HE2 HIS 14 HE2 HIS 14 5.938 15.510 -2.896 No H/Q in entry = 7 In of MODEL 7 1 HA PRO 15 HA PRO 15 11.287 9.835 -6.402 2 HB2 PRO 15 HB2 PRO 15 13.620 11.114 -5.463 3 HB3 PRO 15 HB3 PRO 15 12.649 11.574 -6.875 4 HG2 PRO 15 HG2 PRO 15 12.623 12.722 -4.092 5 HG3 PRO 15 HG3 PRO 15 12.327 13.526 -5.670 6 HD2 PRO 15 HD2 PRO 15 10.301 12.928 -3.996 7 HD3 PRO 15 HD3 PRO 15 10.115 12.798 -5.770 No H/Q in entry = 7 In of MODEL 7 1 H ALA 16 H ALA 16 11.890 7.843 -6.007 2 HA ALA 16 HA ALA 16 12.672 6.952 -3.393 3 HB1 ALA 16 HB1 ALA 16 11.254 5.581 -4.858 4 HB2 ALA 16 HB2 ALA 16 12.592 5.436 -5.997 5 HB3 ALA 16 HB3 ALA 16 12.731 4.739 -4.384 No H/Q in entry = 5 In of MODEL 7 1 H GLU 17 H GLU 17 14.696 7.319 -2.703 2 HA GLU 17 HA GLU 17 16.887 7.007 -4.629 3 HB2 GLU 17 HB2 GLU 17 16.555 9.239 -3.448 4 HB3 GLU 17 HB3 GLU 17 17.028 8.415 -1.962 5 HG2 GLU 17 HG2 GLU 17 18.930 9.551 -2.897 6 HG3 GLU 17 HG3 GLU 17 19.164 7.807 -3.014 No H/Q in entry = 6 In of MODEL 7 1 H ASN 18 H ASN 18 18.140 5.279 -4.378 2 HA ASN 18 HA ASN 18 17.651 3.498 -2.165 3 HB2 ASN 18 HB2 ASN 18 19.660 3.161 -4.418 4 HB3 ASN 18 HB3 ASN 18 19.264 1.960 -3.212 5 HD21 ASN 18 HD21 ASN 18 19.207 1.352 -5.836 6 HD22 ASN 18 HD22 ASN 18 17.577 0.993 -6.336 No H/Q in entry = 6 In of MODEL 7 1 H GLY 19 H GLY 19 18.935 3.111 -0.440 2 HA2 GLY 19 HA2 GLY 19 21.585 4.261 -0.251 3 HA3 GLY 19 HA3 GLY 19 20.696 3.433 1.040 No H/Q in entry = 3 In of MODEL 7 1 H LYS 20 H LYS 20 18.335 5.080 0.547 2 HA LYS 20 HA LYS 20 19.055 7.450 2.055 3 HB2 LYS 20 HB2 LYS 20 19.312 7.804 -0.530 4 HB3 LYS 20 HB3 LYS 20 17.559 7.850 -0.512 5 HG2 LYS 20 HG2 LYS 20 18.378 10.079 -0.443 6 HG3 LYS 20 HG3 LYS 20 17.662 9.704 1.126 7 HD2 LYS 20 HD2 LYS 20 19.881 9.309 2.063 8 HD3 LYS 20 HD3 LYS 20 20.614 9.606 0.487 9 HE2 LYS 20 HE2 LYS 20 19.023 11.616 2.078 10 HE3 LYS 20 HE3 LYS 20 20.783 11.541 2.007 11 HZ1 LYS 20 HZ1 LYS 20 20.612 11.898 -0.414 12 HZ2 LYS 20 HZ2 LYS 20 18.938 12.102 -0.256 13 HZ3 LYS 20 HZ3 LYS 20 19.999 13.194 0.493 No H/Q in entry = 13 In of MODEL 7 1 H SER 21 H SER 21 17.201 8.466 2.961 2 HA SER 21 HA SER 21 15.081 6.652 3.519 3 HB2 SER 21 HB2 SER 21 15.819 8.198 5.223 4 HB3 SER 21 HB3 SER 21 15.464 9.573 4.186 5 HG SER 21 HG SER 21 13.561 7.713 5.227 No H/Q in entry = 5 In of MODEL 7 1 H ASN 22 H ASN 22 12.995 6.672 2.867 2 HA ASN 22 HA ASN 22 12.093 8.621 0.868 3 HB2 ASN 22 HB2 ASN 22 13.240 6.541 -0.245 4 HB3 ASN 22 HB3 ASN 22 11.866 5.642 0.370 5 HD21 ASN 22 HD21 ASN 22 11.472 8.945 -0.772 6 HD22 ASN 22 HD22 ASN 22 10.629 8.511 -2.222 No H/Q in entry = 6 In of MODEL 7 1 H PHE 23 H PHE 23 9.671 7.934 0.269 2 HA PHE 23 HA PHE 23 8.366 6.932 2.706 3 HB2 PHE 23 HB2 PHE 23 7.654 9.316 1.013 4 HB3 PHE 23 HB3 PHE 23 6.443 8.481 1.970 5 HD1 PHE 23 HD1 PHE 23 6.013 9.185 4.094 6 HD2 PHE 23 HD2 PHE 23 9.762 10.152 2.335 7 HE1 PHE 23 HE1 PHE 23 6.539 10.620 6.023 8 HE2 PHE 23 HE2 PHE 23 10.300 11.585 4.264 9 HZ PHE 23 HZ PHE 23 8.691 11.816 6.112 No H/Q in entry = 9 In of MODEL 7 1 H LEU 24 H LEU 24 7.170 5.178 2.270 2 HA LEU 24 HA LEU 24 6.656 4.412 -0.479 3 HB2 LEU 24 HB2 LEU 24 6.980 3.057 1.926 4 HB3 LEU 24 HB3 LEU 24 5.283 2.845 1.550 5 HG LEU 24 HG LEU 24 7.660 1.978 -0.120 6 HD11 LEU 24 HD11 LEU 24 7.100 0.562 1.796 7 HD12 LEU 24 HD12 LEU 24 5.447 0.418 1.204 8 HD13 LEU 24 HD13 LEU 24 6.780 -0.255 0.265 9 HD21 LEU 24 HD21 LEU 24 4.731 1.964 -0.830 10 HD22 LEU 24 HD22 LEU 24 6.075 2.663 -1.740 11 HD23 LEU 24 HD23 LEU 24 5.922 0.913 -1.596 No H/Q in entry = 11 In of MODEL 7 1 H ASN 25 H ASN 25 4.523 3.945 -1.241 2 HA ASN 25 HA ASN 25 2.336 5.094 0.312 3 HB2 ASN 25 HB2 ASN 25 2.976 6.950 -1.075 4 HB3 ASN 25 HB3 ASN 25 3.058 5.929 -2.508 5 HD21 ASN 25 HD21 ASN 25 1.151 5.264 -3.485 6 HD22 ASN 25 HD22 ASN 25 -0.351 6.063 -3.188 No H/Q in entry = 6 In of MODEL 7 1 H CYS 26 H CYS 26 0.713 3.719 0.375 2 HA CYS 26 HA CYS 26 0.338 1.837 -1.853 3 HB2 CYS 26 HB2 CYS 26 1.329 0.943 0.390 4 HB3 CYS 26 HB3 CYS 26 -0.334 1.096 0.971 No H/Q in entry = 4 In of MODEL 7 1 H TYR 27 H TYR 27 -1.605 2.005 -2.740 2 HA TYR 27 HA TYR 27 -3.654 3.554 -1.285 3 HB2 TYR 27 HB2 TYR 27 -2.404 3.956 -3.892 4 HB3 TYR 27 HB3 TYR 27 -4.151 3.859 -4.005 5 HD1 TYR 27 HD1 TYR 27 -5.380 5.406 -2.109 6 HD2 TYR 27 HD2 TYR 27 -1.492 6.050 -3.714 7 HE1 TYR 27 HE1 TYR 27 -5.583 7.810 -1.648 8 HE2 TYR 27 HE2 TYR 27 -1.679 8.442 -3.225 9 HH TYR 27 HH TYR 27 -3.623 10.098 -2.993 No H/Q in entry = 9 In of MODEL 7 1 H VAL 28 H VAL 28 -4.993 1.906 -0.664 2 HA VAL 28 HA VAL 28 -6.055 0.222 -2.845 3 HB VAL 28 HB VAL 28 -6.565 -0.452 0.023 4 HG11 VAL 28 HG11 VAL 28 -6.182 -2.073 -2.483 5 HG12 VAL 28 HG12 VAL 28 -6.586 -2.728 -0.894 6 HG13 VAL 28 HG13 VAL 28 -7.721 -1.664 -1.724 7 HG21 VAL 28 HG21 VAL 28 -4.003 -1.063 -1.442 8 HG22 VAL 28 HG22 VAL 28 -4.184 -0.172 0.072 9 HG23 VAL 28 HG23 VAL 28 -4.541 -1.903 0.017 No H/Q in entry = 9 In of MODEL 7 1 H SER 29 H SER 29 -7.746 1.390 -3.583 2 HA SER 29 HA SER 29 -9.860 2.071 -1.684 3 HB2 SER 29 HB2 SER 29 -8.707 4.075 -3.632 4 HB3 SER 29 HB3 SER 29 -10.048 4.350 -2.517 5 HG SER 29 HG SER 29 -7.899 3.398 -1.192 No H/Q in entry = 5 In of MODEL 7 1 H GLY 30 H GLY 30 -11.852 2.859 -2.854 2 HA2 GLY 30 HA2 GLY 30 -12.109 1.703 -5.538 3 HA3 GLY 30 HA3 GLY 30 -13.250 2.809 -4.779 No H/Q in entry = 3 In of MODEL 7 1 H PHE 31 H PHE 31 -13.148 1.302 -2.250 2 HA PHE 31 HA PHE 31 -14.701 -1.068 -3.052 3 HB2 PHE 31 HB2 PHE 31 -13.676 -2.294 -1.170 4 HB3 PHE 31 HB3 PHE 31 -12.425 -1.702 -2.286 5 HD1 PHE 31 HD1 PHE 31 -10.868 -0.007 -1.623 6 HD2 PHE 31 HD2 PHE 31 -13.987 -1.205 1.008 7 HE1 PHE 31 HE1 PHE 31 -9.792 1.223 0.214 8 HE2 PHE 31 HE2 PHE 31 -12.908 0.008 2.847 9 HZ PHE 31 HZ PHE 31 -10.817 1.231 2.450 No H/Q in entry = 9 In of MODEL 7 1 H HIS 32 H HIS 32 -15.748 -1.978 -0.903 2 HA HIS 32 HA HIS 32 -16.413 -0.008 1.094 3 HB2 HIS 32 HB2 HIS 32 -18.688 -1.249 -0.542 4 HB3 HIS 32 HB3 HIS 32 -18.887 -0.350 0.950 5 HD2 HIS 32 HD2 HIS 32 -18.271 2.442 0.740 6 HE1 HIS 32 HE1 HIS 32 -18.786 2.422 -3.462 7 HE2 HIS 32 HE2 HIS 32 -18.757 3.871 -1.380 No H/Q in entry = 7 In of MODEL 7 1 HA PRO 33 HA PRO 33 -18.650 -0.389 2.500 2 HB2 PRO 33 HB2 PRO 33 -19.114 -1.332 5.108 3 HB3 PRO 33 HB3 PRO 33 -20.168 -1.531 3.708 4 HG2 PRO 33 HG2 PRO 33 -18.830 -3.577 5.069 5 HG3 PRO 33 HG3 PRO 33 -19.588 -3.706 3.472 6 HD2 PRO 33 HD2 PRO 33 -16.719 -3.279 4.186 7 HD3 PRO 33 HD3 PRO 33 -17.427 -4.215 2.850 No H/Q in entry = 7 In of MODEL 7 1 H SER 34 H SER 34 -16.367 0.611 2.451 2 HA SER 34 HA SER 34 -15.310 2.500 3.343 3 HB2 SER 34 HB2 SER 34 -16.202 3.643 5.157 4 HB3 SER 34 HB3 SER 34 -17.600 2.744 4.563 5 HG SER 34 HG SER 34 -15.930 1.998 6.735 No H/Q in entry = 5 In of MODEL 7 1 H ASP 35 H ASP 35 -14.505 -0.473 4.007 2 HA ASP 35 HA ASP 35 -12.194 0.405 5.483 3 HB2 ASP 35 HB2 ASP 35 -13.446 0.028 7.427 4 HB3 ASP 35 HB3 ASP 35 -14.144 -1.467 6.802 No H/Q in entry = 4 In of MODEL 7 1 H ILE 36 H ILE 36 -10.467 -0.672 5.033 2 HA ILE 36 HA ILE 36 -10.558 -3.491 4.305 3 HB ILE 36 HB ILE 36 -10.500 -2.057 2.138 4 HG12 ILE 36 HG12 ILE 36 -8.613 -4.275 2.871 5 HG13 ILE 36 HG13 ILE 36 -10.032 -4.326 1.833 6 HG21 ILE 36 HG21 ILE 36 -7.661 -1.679 3.095 7 HG22 ILE 36 HG22 ILE 36 -8.258 -1.272 1.485 8 HG23 ILE 36 HG23 ILE 36 -8.862 -0.404 2.895 9 HD11 ILE 36 HD11 ILE 36 -7.417 -3.008 1.132 10 HD12 ILE 36 HD12 ILE 36 -7.932 -4.606 0.595 11 HD13 ILE 36 HD13 ILE 36 -8.822 -3.174 0.076 No H/Q in entry = 11 In of MODEL 7 1 H GLU 37 H GLU 37 -8.449 -4.542 4.626 2 HA GLU 37 HA GLU 37 -6.688 -2.953 6.340 3 HB2 GLU 37 HB2 GLU 37 -8.032 -5.089 7.142 4 HB3 GLU 37 HB3 GLU 37 -6.801 -5.958 6.248 5 HG2 GLU 37 HG2 GLU 37 -6.050 -4.004 8.388 6 HG3 GLU 37 HG3 GLU 37 -6.523 -5.655 8.771 No H/Q in entry = 6 In of MODEL 7 1 H VAL 38 H VAL 38 -4.709 -2.621 5.505 2 HA VAL 38 HA VAL 38 -3.671 -4.499 3.541 3 HB VAL 38 HB VAL 38 -4.010 -3.134 1.825 4 HG11 VAL 38 HG11 VAL 38 -4.547 -0.913 3.772 5 HG12 VAL 38 HG12 VAL 38 -4.818 -0.833 2.030 6 HG13 VAL 38 HG13 VAL 38 -5.733 -1.977 3.013 7 HG21 VAL 38 HG21 VAL 38 -1.988 -1.366 3.200 8 HG22 VAL 38 HG22 VAL 38 -1.658 -2.641 2.035 9 HG23 VAL 38 HG23 VAL 38 -2.497 -1.176 1.519 No H/Q in entry = 9 In of MODEL 7 1 H ASP 39 H ASP 39 -1.550 -4.803 3.587 2 HA ASP 39 HA ASP 39 -0.044 -3.376 5.663 3 HB2 ASP 39 HB2 ASP 39 -0.462 -5.261 6.880 4 HB3 ASP 39 HB3 ASP 39 -0.661 -6.276 5.470 No H/Q in entry = 4 In of MODEL 7 1 H LEU 40 H LEU 40 2.216 -3.375 5.409 2 HA LEU 40 HA LEU 40 3.006 -3.621 2.592 3 HB2 LEU 40 HB2 LEU 40 4.396 -2.032 4.736 4 HB3 LEU 40 HB3 LEU 40 4.660 -1.943 3.006 5 HG LEU 40 HG LEU 40 2.216 -1.007 4.497 6 HD11 LEU 40 HD11 LEU 40 4.398 0.482 3.048 7 HD12 LEU 40 HD12 LEU 40 2.938 1.213 3.717 8 HD13 LEU 40 HD13 LEU 40 4.115 0.455 4.790 9 HD21 LEU 40 HD21 LEU 40 2.808 -1.017 1.549 10 HD22 LEU 40 HD22 LEU 40 1.476 -1.824 2.381 11 HD23 LEU 40 HD23 LEU 40 1.532 -0.059 2.306 No H/Q in entry = 11 In of MODEL 7 1 H LEU 41 H LEU 41 4.787 -4.759 2.011 2 HA LEU 41 HA LEU 41 5.947 -6.471 4.102 3 HB2 LEU 41 HB2 LEU 41 5.901 -7.232 1.234 4 HB3 LEU 41 HB3 LEU 41 5.998 -8.253 2.639 5 HG LEU 41 HG LEU 41 3.530 -6.784 1.738 6 HD11 LEU 41 HD11 LEU 41 4.171 -8.576 0.217 7 HD12 LEU 41 HD12 LEU 41 4.267 -9.702 1.571 8 HD13 LEU 41 HD13 LEU 41 2.715 -9.000 1.117 9 HD21 LEU 41 HD21 LEU 41 3.626 -7.092 4.155 10 HD22 LEU 41 HD22 LEU 41 2.395 -8.123 3.428 11 HD23 LEU 41 HD23 LEU 41 3.942 -8.814 3.925 No H/Q in entry = 11 In of MODEL 7 1 H LYS 42 H LYS 42 7.850 -7.616 3.216 2 HA LYS 42 HA LYS 42 9.693 -6.072 1.628 3 HB2 LYS 42 HB2 LYS 42 10.550 -6.939 4.366 4 HB3 LYS 42 HB3 LYS 42 11.457 -5.964 3.231 5 HG2 LYS 42 HG2 LYS 42 9.807 -4.131 3.486 6 HG3 LYS 42 HG3 LYS 42 8.896 -5.134 4.591 7 HD2 LYS 42 HD2 LYS 42 10.133 -3.793 6.039 8 HD3 LYS 42 HD3 LYS 42 11.087 -5.272 5.959 9 HE2 LYS 42 HE2 LYS 42 11.618 -2.768 4.362 10 HE3 LYS 42 HE3 LYS 42 12.468 -3.233 5.830 11 HZ1 LYS 42 HZ1 LYS 42 13.106 -5.321 4.586 12 HZ2 LYS 42 HZ2 LYS 42 12.557 -4.549 3.180 13 HZ3 LYS 42 HZ3 LYS 42 13.835 -3.881 4.059 No H/Q in entry = 13 In of MODEL 7 1 H ASN 43 H ASN 43 10.046 -7.609 0.233 2 HA ASN 43 HA ASN 43 10.776 -9.526 -0.749 3 HB2 ASN 43 HB2 ASN 43 12.434 -9.227 1.382 4 HB3 ASN 43 HB3 ASN 43 11.731 -10.798 1.732 5 HD21 ASN 43 HD21 ASN 43 13.855 -8.996 -0.279 6 HD22 ASN 43 HD22 ASN 43 14.458 -10.328 -1.208 No H/Q in entry = 6 In of MODEL 7 1 H GLY 44 H GLY 44 8.695 -9.546 1.910 2 HA2 GLY 44 HA2 GLY 44 7.772 -12.283 1.480 3 HA3 GLY 44 HA3 GLY 44 6.632 -10.970 1.138 No H/Q in entry = 3 In of MODEL 7 1 H GLU 45 H GLU 45 8.603 -9.873 3.513 2 HA GLU 45 HA GLU 45 7.152 -11.132 5.720 3 HB2 GLU 45 HB2 GLU 45 9.693 -9.515 5.700 4 HB3 GLU 45 HB3 GLU 45 8.972 -10.245 7.130 5 HG2 GLU 45 HG2 GLU 45 9.189 -12.459 5.905 6 HG3 GLU 45 HG3 GLU 45 10.223 -11.597 4.764 No H/Q in entry = 6 In of MODEL 7 1 H ARG 46 H ARG 46 6.075 -9.919 7.252 2 HA ARG 46 HA ARG 46 4.886 -7.531 6.289 3 HB2 ARG 46 HB2 ARG 46 3.782 -9.267 7.783 4 HB3 ARG 46 HB3 ARG 46 4.766 -8.638 9.110 5 HG2 ARG 46 HG2 ARG 46 3.653 -6.571 9.093 6 HG3 ARG 46 HG3 ARG 46 2.956 -6.854 7.509 7 HD2 ARG 46 HD2 ARG 46 1.537 -8.688 8.552 8 HD3 ARG 46 HD3 ARG 46 2.137 -8.126 10.125 9 HE ARG 46 HE ARG 46 1.199 -5.908 8.739 10 HH11 ARG 46 HH11 ARG 46 -0.100 -8.804 10.233 11 HH12 ARG 46 HH12 ARG 46 -1.732 -8.193 10.290 12 HH21 ARG 46 HH21 ARG 46 -0.932 -5.117 8.792 13 HH22 ARG 46 HH22 ARG 46 -2.211 -6.097 9.429 No H/Q in entry = 13 In of MODEL 7 1 H ILE 47 H ILE 47 5.172 -5.427 6.816 2 HA ILE 47 HA ILE 47 7.468 -4.670 8.459 3 HB ILE 47 HB ILE 47 5.576 -2.930 6.849 4 HG12 ILE 47 HG12 ILE 47 8.417 -3.682 6.184 5 HG13 ILE 47 HG13 ILE 47 7.017 -4.454 5.449 6 HG21 ILE 47 HG21 ILE 47 6.621 -1.752 8.717 7 HG22 ILE 47 HG22 ILE 47 8.213 -2.254 8.149 8 HG23 ILE 47 HG23 ILE 47 7.231 -1.165 7.169 9 HD11 ILE 47 HD11 ILE 47 7.455 -1.488 5.344 10 HD12 ILE 47 HD12 ILE 47 8.113 -2.581 4.132 11 HD13 ILE 47 HD13 ILE 47 6.370 -2.472 4.360 No H/Q in entry = 11 In of MODEL 7 1 H GLU 48 H GLU 48 7.242 -3.560 10.396 2 HA GLU 48 HA GLU 48 4.525 -3.429 11.446 3 HB2 GLU 48 HB2 GLU 48 5.798 -2.946 13.645 4 HB3 GLU 48 HB3 GLU 48 5.775 -4.581 13.011 5 HG2 GLU 48 HG2 GLU 48 8.030 -2.696 12.508 6 HG3 GLU 48 HG3 GLU 48 7.949 -3.692 13.944 No H/Q in entry = 6 In of MODEL 7 1 H LYS 49 H LYS 49 7.342 -1.283 10.962 2 HA LYS 49 HA LYS 49 6.403 0.998 12.155 3 HB2 LYS 49 HB2 LYS 49 8.061 0.770 9.651 4 HB3 LYS 49 HB3 LYS 49 7.928 2.205 10.659 5 HG2 LYS 49 HG2 LYS 49 8.686 -0.210 12.097 6 HG3 LYS 49 HG3 LYS 49 9.847 0.312 10.880 7 HD2 LYS 49 HD2 LYS 49 10.072 2.439 11.928 8 HD3 LYS 49 HD3 LYS 49 8.674 2.148 12.960 9 HE2 LYS 49 HE2 LYS 49 9.939 0.319 14.073 10 HE3 LYS 49 HE3 LYS 49 11.352 0.744 13.107 11 HZ1 LYS 49 HZ1 LYS 49 11.277 2.969 14.097 12 HZ2 LYS 49 HZ2 LYS 49 9.978 2.488 15.080 13 HZ3 LYS 49 HZ3 LYS 49 11.496 1.754 15.261 No H/Q in entry = 13 In of MODEL 7 1 H VAL 50 H VAL 50 4.880 -0.483 9.576 2 HA VAL 50 HA VAL 50 4.082 1.644 7.948 3 HB VAL 50 HB VAL 50 2.464 -0.803 8.667 4 HG11 VAL 50 HG11 VAL 50 1.170 1.015 7.595 5 HG12 VAL 50 HG12 VAL 50 2.309 0.992 6.243 6 HG13 VAL 50 HG13 VAL 50 1.305 -0.422 6.571 7 HG21 VAL 50 HG21 VAL 50 4.693 -1.357 7.830 8 HG22 VAL 50 HG22 VAL 50 3.444 -1.795 6.670 9 HG23 VAL 50 HG23 VAL 50 4.413 -0.347 6.413 No H/Q in entry = 9 In of MODEL 7 1 H GLU 51 H GLU 51 2.605 3.222 8.112 2 HA GLU 51 HA GLU 51 0.703 3.133 10.348 3 HB2 GLU 51 HB2 GLU 51 2.173 5.604 9.404 4 HB3 GLU 51 HB3 GLU 51 0.949 5.543 10.667 5 HG2 GLU 51 HG2 GLU 51 2.422 4.132 12.014 6 HG3 GLU 51 HG3 GLU 51 3.658 4.241 10.759 No H/Q in entry = 6 In of MODEL 7 1 H HIS 52 H HIS 52 -1.282 3.947 9.925 2 HA HIS 52 HA HIS 52 -1.815 4.779 7.152 3 HB2 HIS 52 HB2 HIS 52 -4.161 3.970 7.521 4 HB3 HIS 52 HB3 HIS 52 -2.945 2.706 7.511 5 HD2 HIS 52 HD2 HIS 52 -2.235 1.906 10.292 6 HE1 HIS 52 HE1 HIS 52 -6.184 2.769 11.534 7 HE2 HIS 52 HE2 HIS 52 -3.965 1.759 12.218 No H/Q in entry = 7 In of MODEL 7 1 H SER 53 H SER 53 -2.844 6.633 6.780 2 HA SER 53 HA SER 53 -3.168 8.552 8.862 3 HB2 SER 53 HB2 SER 53 -2.665 8.953 6.360 4 HB3 SER 53 HB3 SER 53 -4.392 8.733 6.101 5 HG SER 53 HG SER 53 -3.897 10.481 8.132 No H/Q in entry = 5 In of MODEL 7 1 H ASP 54 H ASP 54 -5.280 9.631 9.389 2 HA ASP 54 HA ASP 54 -7.168 7.709 10.234 3 HB2 ASP 54 HB2 ASP 54 -6.877 9.780 11.456 4 HB3 ASP 54 HB3 ASP 54 -7.376 10.720 10.053 No H/Q in entry = 4 In of MODEL 7 1 H LEU 55 H LEU 55 -8.308 6.553 8.815 2 HA LEU 55 HA LEU 55 -9.174 5.983 6.761 3 HB2 LEU 55 HB2 LEU 55 -10.862 6.570 8.706 4 HB3 LEU 55 HB3 LEU 55 -11.388 7.791 7.575 5 HG LEU 55 HG LEU 55 -12.782 5.773 7.484 6 HD11 LEU 55 HD11 LEU 55 -12.453 7.166 5.470 7 HD12 LEU 55 HD12 LEU 55 -11.186 6.052 4.956 8 HD13 LEU 55 HD13 LEU 55 -12.849 5.482 5.123 9 HD21 LEU 55 HD21 LEU 55 -10.275 4.368 6.578 10 HD22 LEU 55 HD22 LEU 55 -11.132 4.101 8.098 11 HD23 LEU 55 HD23 LEU 55 -11.900 3.687 6.566 No H/Q in entry = 11 In of MODEL 7 1 H SER 56 H SER 56 -11.095 8.823 6.525 2 HA SER 56 HA SER 56 -9.619 10.466 4.856 3 HB2 SER 56 HB2 SER 56 -9.581 8.392 3.386 4 HB3 SER 56 HB3 SER 56 -11.328 8.563 3.231 5 HG SER 56 HG SER 56 -9.323 9.923 1.990 No H/Q in entry = 5 In of MODEL 7 1 H PHE 57 H PHE 57 -11.176 11.730 3.339 2 HA PHE 57 HA PHE 57 -13.745 12.108 4.731 3 HB2 PHE 57 HB2 PHE 57 -13.717 14.405 3.867 4 HB3 PHE 57 HB3 PHE 57 -12.261 14.084 4.801 5 HD1 PHE 57 HD1 PHE 57 -13.555 15.348 1.772 6 HD2 PHE 57 HD2 PHE 57 -10.168 13.365 3.419 7 HE1 PHE 57 HE1 PHE 57 -12.193 16.099 -0.133 8 HE2 PHE 57 HE2 PHE 57 -8.800 14.116 1.517 9 HZ PHE 57 HZ PHE 57 -9.813 15.485 -0.263 No H/Q in entry = 9 In of MODEL 7 1 H SER 58 H SER 58 -15.613 12.000 3.580 2 HA SER 58 HA SER 58 -15.639 10.923 0.948 3 HB2 SER 58 HB2 SER 58 -18.155 11.596 1.176 4 HB3 SER 58 HB3 SER 58 -17.509 10.335 2.226 5 HG SER 58 HG SER 58 -18.809 12.212 3.143 No H/Q in entry = 5 In of MODEL 7 1 H LYS 59 H LYS 59 -15.966 11.946 -1.019 2 HA LYS 59 HA LYS 59 -15.947 14.874 -0.969 3 HB2 LYS 59 HB2 LYS 59 -13.614 14.066 -1.042 4 HB3 LYS 59 HB3 LYS 59 -13.987 13.150 -2.494 5 HG2 LYS 59 HG2 LYS 59 -14.428 15.196 -3.707 6 HG3 LYS 59 HG3 LYS 59 -14.139 16.146 -2.247 7 HD2 LYS 59 HD2 LYS 59 -11.828 15.294 -2.170 8 HD3 LYS 59 HD3 LYS 59 -12.122 14.394 -3.658 9 HE2 LYS 59 HE2 LYS 59 -10.917 16.516 -4.032 10 HE3 LYS 59 HE3 LYS 59 -12.456 16.451 -4.887 11 HZ1 LYS 59 HZ1 LYS 59 -11.975 17.842 -2.301 12 HZ2 LYS 59 HZ2 LYS 59 -12.101 18.592 -3.816 13 HZ3 LYS 59 HZ3 LYS 59 -13.447 17.802 -3.145 No H/Q in entry = 13 In of MODEL 7 1 H ASP 60 H ASP 60 -15.318 12.640 -3.634 2 HA ASP 60 HA ASP 60 -18.030 13.110 -4.650 3 HB2 ASP 60 HB2 ASP 60 -16.503 14.664 -5.826 4 HB3 ASP 60 HB3 ASP 60 -15.516 13.295 -6.327 No H/Q in entry = 4 In of MODEL 7 1 H TRP 61 H TRP 61 -15.008 11.348 -5.211 2 HA TRP 61 HA TRP 61 -16.374 9.045 -6.270 3 HB2 TRP 61 HB2 TRP 61 -13.515 9.708 -5.647 4 HB3 TRP 61 HB3 TRP 61 -13.981 8.044 -5.969 5 HD1 TRP 61 HD1 TRP 61 -13.915 11.491 -7.710 6 HE1 TRP 61 HE1 TRP 61 -13.804 11.089 -10.252 7 HE3 TRP 61 HE3 TRP 61 -14.403 6.405 -7.742 8 HZ2 TRP 61 HZ2 TRP 61 -13.907 8.902 -12.030 9 HZ3 TRP 61 HZ3 TRP 61 -14.386 5.221 -9.892 10 HH2 TRP 61 HH2 TRP 61 -14.140 6.462 -12.019 No H/Q in entry = 10 In of MODEL 7 1 H SER 62 H SER 62 -14.926 6.977 -5.152 2 HA SER 62 HA SER 62 -16.323 6.411 -2.769 3 HB2 SER 62 HB2 SER 62 -13.917 5.102 -4.071 4 HB3 SER 62 HB3 SER 62 -14.780 4.414 -2.692 5 HG SER 62 HG SER 62 -16.599 5.016 -4.519 No H/Q in entry = 5 In of MODEL 7 1 H PHE 63 H PHE 63 -15.142 5.694 -0.750 2 HA PHE 63 HA PHE 63 -13.505 7.849 0.223 3 HB2 PHE 63 HB2 PHE 63 -14.126 5.259 1.657 4 HB3 PHE 63 HB3 PHE 63 -13.707 6.808 2.372 5 HD1 PHE 63 HD1 PHE 63 -15.403 8.318 3.021 6 HD2 PHE 63 HD2 PHE 63 -16.358 5.056 0.448 7 HE1 PHE 63 HE1 PHE 63 -17.807 8.787 3.321 8 HE2 PHE 63 HE2 PHE 63 -18.760 5.525 0.745 9 HZ PHE 63 HZ PHE 63 -19.478 7.392 2.178 No H/Q in entry = 9 In of MODEL 7 1 H TYR 64 H TYR 64 -11.403 7.576 1.145 2 HA TYR 64 HA TYR 64 -9.843 5.571 -0.352 3 HB2 TYR 64 HB2 TYR 64 -8.818 8.258 0.580 4 HB3 TYR 64 HB3 TYR 64 -8.127 7.215 -0.654 5 HD1 TYR 64 HD1 TYR 64 -10.061 10.071 -0.061 6 HD2 TYR 64 HD2 TYR 64 -9.687 6.805 -2.761 7 HE1 TYR 64 HE1 TYR 64 -11.272 11.354 -1.764 8 HE2 TYR 64 HE2 TYR 64 -10.904 8.086 -4.482 9 HH TYR 64 HH TYR 64 -12.466 9.935 -4.625 No H/Q in entry = 9 In of MODEL 7 1 H LEU 65 H LEU 65 -8.024 4.614 0.698 2 HA LEU 65 HA LEU 65 -7.401 5.524 3.381 3 HB2 LEU 65 HB2 LEU 65 -8.926 3.832 3.932 4 HB3 LEU 65 HB3 LEU 65 -8.337 2.757 2.681 5 HG LEU 65 HG LEU 65 -6.372 3.385 4.792 6 HD11 LEU 65 HD11 LEU 65 -8.543 3.303 6.020 7 HD12 LEU 65 HD12 LEU 65 -8.763 1.665 5.411 8 HD13 LEU 65 HD13 LEU 65 -7.404 2.040 6.473 9 HD21 LEU 65 HD21 LEU 65 -6.008 1.750 2.996 10 HD22 LEU 65 HD22 LEU 65 -5.972 0.999 4.591 11 HD23 LEU 65 HD23 LEU 65 -7.400 0.830 3.567 No H/Q in entry = 11 In of MODEL 7 1 H LEU 66 H LEU 66 -5.313 5.548 3.780 2 HA LEU 66 HA LEU 66 -3.531 4.510 1.673 3 HB2 LEU 66 HB2 LEU 66 -4.025 7.081 2.148 4 HB3 LEU 66 HB3 LEU 66 -2.792 6.842 3.340 5 HG LEU 66 HG LEU 66 -2.425 6.344 0.405 6 HD11 LEU 66 HD11 LEU 66 -1.531 8.640 2.137 7 HD12 LEU 66 HD12 LEU 66 -1.058 8.388 0.459 8 HD13 LEU 66 HD13 LEU 66 -2.744 8.707 0.860 9 HD21 LEU 66 HD21 LEU 66 -0.412 6.396 2.640 10 HD22 LEU 66 HD22 LEU 66 -0.946 4.965 1.760 11 HD23 LEU 66 HD23 LEU 66 -0.042 6.230 0.922 No H/Q in entry = 11 In of MODEL 7 1 H TYR 67 H TYR 67 -1.929 3.202 2.306 2 HA TYR 67 HA TYR 67 -1.089 3.184 5.135 3 HB2 TYR 67 HB2 TYR 67 -1.673 0.950 3.274 4 HB3 TYR 67 HB3 TYR 67 -0.303 0.757 4.357 5 HD1 TYR 67 HD1 TYR 67 -0.639 0.568 6.773 6 HD2 TYR 67 HD2 TYR 67 -3.956 0.909 4.127 7 HE1 TYR 67 HE1 TYR 67 -2.135 -0.278 8.538 8 HE2 TYR 67 HE2 TYR 67 -5.437 0.067 5.873 9 HH TYR 67 HH TYR 67 -4.559 -0.143 9.110 No H/Q in entry = 9 In of MODEL 7 1 H TYR 68 H TYR 68 0.896 3.916 5.409 2 HA TYR 68 HA TYR 68 2.861 3.477 3.272 3 HB2 TYR 68 HB2 TYR 68 3.611 5.830 3.411 4 HB3 TYR 68 HB3 TYR 68 1.935 5.713 2.868 5 HD1 TYR 68 HD1 TYR 68 0.109 6.489 4.280 6 HD2 TYR 68 HD2 TYR 68 4.152 6.797 5.579 7 HE1 TYR 68 HE1 TYR 68 -0.581 8.059 6.043 8 HE2 TYR 68 HE2 TYR 68 3.470 8.360 7.349 9 HH TYR 68 HH TYR 68 1.637 9.910 7.834 No H/Q in entry = 9 In of MODEL 7 1 H THR 69 H THR 69 5.078 3.986 3.941 2 HA THR 69 HA THR 69 5.598 4.134 6.795 3 HB THR 69 HB THR 69 5.290 1.698 6.417 4 HG1 THR 69 HG1 THR 69 8.047 2.252 6.861 5 HG21 THR 69 HG21 THR 69 7.585 2.040 4.487 6 HG22 THR 69 HG22 THR 69 7.042 0.485 5.117 7 HG23 THR 69 HG23 THR 69 5.957 1.461 4.124 No H/Q in entry = 7 In of MODEL 7 1 H GLU 70 H GLU 70 7.715 4.715 7.271 2 HA GLU 70 HA GLU 70 9.197 5.904 5.061 3 HB2 GLU 70 HB2 GLU 70 8.759 7.147 7.217 4 HB3 GLU 70 HB3 GLU 70 9.778 5.981 8.043 5 HG2 GLU 70 HG2 GLU 70 10.817 7.626 5.762 6 HG3 GLU 70 HG3 GLU 70 10.782 8.240 7.412 No H/Q in entry = 6 In of MODEL 7 1 H PHE 71 H PHE 71 11.047 5.056 4.275 2 HA PHE 71 HA PHE 71 12.262 2.776 5.574 3 HB2 PHE 71 HB2 PHE 71 11.956 1.257 3.674 4 HB3 PHE 71 HB3 PHE 71 10.398 1.746 4.326 5 HD1 PHE 71 HD1 PHE 71 10.445 4.526 2.950 6 HD2 PHE 71 HD2 PHE 71 11.113 0.566 1.563 7 HE1 PHE 71 HE1 PHE 71 9.720 5.194 0.700 8 HE2 PHE 71 HE2 PHE 71 10.382 1.222 -0.694 9 HZ PHE 71 HZ PHE 71 9.703 3.548 -1.141 No H/Q in entry = 9 In of MODEL 7 1 H THR 72 H THR 72 14.276 2.143 4.561 2 HA THR 72 HA THR 72 15.401 4.241 2.840 3 HB THR 72 HB THR 72 16.938 2.318 4.601 4 HG1 THR 72 HG1 THR 72 15.452 4.026 5.619 5 HG21 THR 72 HG21 THR 72 18.208 3.267 2.731 6 HG22 THR 72 HG22 THR 72 17.734 4.892 3.230 7 HG23 THR 72 HG23 THR 72 18.772 3.915 4.271 No H/Q in entry = 7 In of MODEL 7 1 HA PRO 73 HA PRO 73 14.753 0.603 0.028 2 HB2 PRO 73 HB2 PRO 73 15.382 2.275 -2.162 3 HB3 PRO 73 HB3 PRO 73 13.752 1.847 -1.600 4 HG2 PRO 73 HG2 PRO 73 15.388 4.286 -1.050 5 HG3 PRO 73 HG3 PRO 73 13.632 4.141 -1.285 6 HD2 PRO 73 HD2 PRO 73 14.662 4.476 1.160 7 HD3 PRO 73 HD3 PRO 73 13.290 3.371 0.896 No H/Q in entry = 7 In of MODEL 7 1 H THR 74 H THR 74 16.139 -0.690 -0.857 2 HA THR 74 HA THR 74 18.851 0.171 -1.517 3 HB THR 74 HB THR 74 19.836 -1.785 -0.535 4 HG1 THR 74 HG1 THR 74 17.172 -2.637 0.084 5 HG21 THR 74 HG21 THR 74 17.822 -0.695 1.426 6 HG22 THR 74 HG22 THR 74 19.263 -1.611 1.852 7 HG23 THR 74 HG23 THR 74 19.421 -0.022 1.097 No H/Q in entry = 7 In of MODEL 7 1 H GLU 75 H GLU 75 19.814 -1.476 -3.067 2 HA GLU 75 HA GLU 75 17.858 -2.241 -5.011 3 HB2 GLU 75 HB2 GLU 75 20.067 -1.431 -5.627 4 HB3 GLU 75 HB3 GLU 75 20.825 -2.799 -4.830 5 HG2 GLU 75 HG2 GLU 75 18.925 -3.134 -7.114 6 HG3 GLU 75 HG3 GLU 75 20.636 -2.829 -7.350 No H/Q in entry = 6 In of MODEL 7 1 H LYS 76 H LYS 76 19.634 -3.841 -2.519 2 HA LYS 76 HA LYS 76 19.296 -6.428 -3.634 3 HB2 LYS 76 HB2 LYS 76 20.451 -5.495 -1.016 4 HB3 LYS 76 HB3 LYS 76 20.498 -7.154 -1.594 5 HG2 LYS 76 HG2 LYS 76 22.174 -6.753 -3.025 6 HG3 LYS 76 HG3 LYS 76 21.525 -5.183 -3.502 7 HD2 LYS 76 HD2 LYS 76 23.633 -4.854 -2.402 8 HD3 LYS 76 HD3 LYS 76 22.343 -4.247 -1.364 9 HE2 LYS 76 HE2 LYS 76 22.409 -6.432 -0.142 10 HE3 LYS 76 HE3 LYS 76 23.838 -6.855 -1.088 11 HZ1 LYS 76 HZ1 LYS 76 24.884 -4.799 -0.205 12 HZ2 LYS 76 HZ2 LYS 76 23.550 -4.604 0.822 13 HZ3 LYS 76 HZ3 LYS 76 24.551 -5.966 0.983 No H/Q in entry = 13 In of MODEL 7 1 H ASP 77 H ASP 77 17.577 -4.480 -1.299 2 HA ASP 77 HA ASP 77 16.084 -6.886 -0.492 3 HB2 ASP 77 HB2 ASP 77 15.665 -5.923 1.540 4 HB3 ASP 77 HB3 ASP 77 17.072 -4.952 1.143 No H/Q in entry = 4 In of MODEL 7 1 H GLU 78 H GLU 78 13.580 -6.037 0.066 2 HA GLU 78 HA GLU 78 12.555 -4.740 -2.337 3 HB2 GLU 78 HB2 GLU 78 12.981 -6.969 -3.153 4 HB3 GLU 78 HB3 GLU 78 12.204 -7.689 -1.757 5 HG2 GLU 78 HG2 GLU 78 10.697 -7.895 -3.560 6 HG3 GLU 78 HG3 GLU 78 10.050 -6.603 -2.541 No H/Q in entry = 6 In of MODEL 7 1 H TYR 79 H TYR 79 10.401 -4.071 -2.055 2 HA TYR 79 HA TYR 79 9.135 -4.933 0.436 3 HB2 TYR 79 HB2 TYR 79 8.804 -2.094 -0.534 4 HB3 TYR 79 HB3 TYR 79 8.406 -2.789 1.039 5 HD1 TYR 79 HD1 TYR 79 9.602 -1.814 2.713 6 HD2 TYR 79 HD2 TYR 79 11.601 -2.607 -0.958 7 HE1 TYR 79 HE1 TYR 79 11.698 -0.943 3.673 8 HE2 TYR 79 HE2 TYR 79 13.703 -1.793 0.012 9 HH TYR 79 HH TYR 79 14.526 -0.441 1.741 No H/Q in entry = 9 In of MODEL 7 1 H ALA 80 H ALA 80 6.855 -4.864 0.454 2 HA ALA 80 HA ALA 80 5.637 -4.818 -2.234 3 HB1 ALA 80 HB1 ALA 80 6.404 -7.095 -1.924 4 HB2 ALA 80 HB2 ALA 80 4.641 -7.024 -1.918 5 HB3 ALA 80 HB3 ALA 80 5.518 -7.202 -0.399 No H/Q in entry = 5 In of MODEL 7 1 H CYS 81 H CYS 81 3.225 -5.030 -2.162 2 HA CYS 81 HA CYS 81 2.137 -3.918 0.345 3 HB2 CYS 81 HB2 CYS 81 1.741 -3.244 -2.508 4 HB3 CYS 81 HB3 CYS 81 0.280 -3.279 -1.525 No H/Q in entry = 4 In of MODEL 7 1 H ARG 82 H ARG 82 0.528 -5.021 1.299 2 HA ARG 82 HA ARG 82 -0.755 -7.272 -0.153 3 HB2 ARG 82 HB2 ARG 82 0.821 -7.792 1.832 4 HB3 ARG 82 HB3 ARG 82 -0.400 -7.032 2.825 5 HG2 ARG 82 HG2 ARG 82 -1.978 -8.760 1.669 6 HG3 ARG 82 HG3 ARG 82 -0.467 -9.630 1.414 7 HD2 ARG 82 HD2 ARG 82 -1.753 -8.809 3.993 8 HD3 ARG 82 HD3 ARG 82 -1.293 -10.427 3.477 9 HE ARG 82 HE ARG 82 0.593 -8.315 4.326 10 HH11 ARG 82 HH11 ARG 82 -0.243 -11.707 3.951 11 HH12 ARG 82 HH12 ARG 82 1.114 -12.265 4.873 12 HH21 ARG 82 HH21 ARG 82 2.323 -9.035 5.578 13 HH22 ARG 82 HH22 ARG 82 2.597 -10.746 5.791 No H/Q in entry = 13 In of MODEL 7 1 H VAL 83 H VAL 83 -3.013 -7.364 -0.037 2 HA VAL 83 HA VAL 83 -4.286 -5.702 2.031 3 HB VAL 83 HB VAL 83 -5.870 -4.703 0.689 4 HG11 VAL 83 HG11 VAL 83 -3.384 -4.823 -0.961 5 HG12 VAL 83 HG12 VAL 83 -4.689 -3.656 -1.170 6 HG13 VAL 83 HG13 VAL 83 -3.762 -3.684 0.332 7 HG21 VAL 83 HG21 VAL 83 -5.183 -6.620 -1.527 8 HG22 VAL 83 HG22 VAL 83 -6.633 -6.659 -0.524 9 HG23 VAL 83 HG23 VAL 83 -6.359 -5.311 -1.629 No H/Q in entry = 9 In of MODEL 7 1 H ASN 84 H ASN 84 -6.086 -6.469 2.907 2 HA ASN 84 HA ASN 84 -6.970 -9.150 2.067 3 HB2 ASN 84 HB2 ASN 84 -7.133 -7.962 4.857 4 HB3 ASN 84 HB3 ASN 84 -7.502 -9.611 4.406 5 HD21 ASN 84 HD21 ASN 84 -4.979 -7.338 5.146 6 HD22 ASN 84 HD22 ASN 84 -3.691 -8.493 5.183 No H/Q in entry = 6 In of MODEL 7 1 H HIS 85 H HIS 85 -9.008 -9.106 1.153 2 HA HIS 85 HA HIS 85 -11.077 -7.708 2.650 3 HB2 HIS 85 HB2 HIS 85 -10.201 -6.362 0.552 4 HB3 HIS 85 HB3 HIS 85 -11.145 -7.546 -0.341 5 HD2 HIS 85 HD2 HIS 85 -11.812 -4.827 2.449 6 HE1 HIS 85 HE1 HIS 85 -15.346 -5.580 0.244 7 HE2 HIS 85 HE2 HIS 85 -14.342 -4.315 2.194 No H/Q in entry = 7 In of MODEL 7 1 H VAL 86 H VAL 86 -13.287 -8.499 1.867 2 HA VAL 86 HA VAL 86 -13.202 -11.340 1.885 3 HB VAL 86 HB VAL 86 -15.636 -11.270 1.799 4 HG11 VAL 86 HG11 VAL 86 -14.470 -9.164 3.613 5 HG12 VAL 86 HG12 VAL 86 -16.040 -9.940 3.823 6 HG13 VAL 86 HG13 VAL 86 -14.561 -10.895 3.941 7 HG21 VAL 86 HG21 VAL 86 -15.847 -9.429 0.157 8 HG22 VAL 86 HG22 VAL 86 -16.879 -9.212 1.572 9 HG23 VAL 86 HG23 VAL 86 -15.385 -8.287 1.419 No H/Q in entry = 9 In of MODEL 7 1 H THR 87 H THR 87 -13.314 -8.990 -0.660 2 HA THR 87 HA THR 87 -14.634 -10.590 -2.581 3 HB THR 87 HB THR 87 -13.901 -8.948 -4.202 4 HG1 THR 87 HG1 THR 87 -11.767 -8.604 -3.604 5 HG21 THR 87 HG21 THR 87 -15.659 -8.370 -2.490 6 HG22 THR 87 HG22 THR 87 -14.412 -7.454 -1.646 7 HG23 THR 87 HG23 THR 87 -14.881 -7.002 -3.285 No H/Q in entry = 7 In of MODEL 7 1 H LEU 88 H LEU 88 -11.278 -9.986 -1.789 2 HA LEU 88 HA LEU 88 -10.270 -11.552 -3.956 3 HB2 LEU 88 HB2 LEU 88 -8.890 -10.570 -1.441 4 HB3 LEU 88 HB3 LEU 88 -8.075 -11.296 -2.811 5 HG LEU 88 HG LEU 88 -9.522 -8.645 -2.759 6 HD11 LEU 88 HD11 LEU 88 -7.291 -8.626 -1.742 7 HD12 LEU 88 HD12 LEU 88 -6.612 -9.328 -3.221 8 HD13 LEU 88 HD13 LEU 88 -7.327 -7.710 -3.257 9 HD21 LEU 88 HD21 LEU 88 -8.226 -10.065 -5.083 10 HD22 LEU 88 HD22 LEU 88 -9.947 -9.728 -4.888 11 HD23 LEU 88 HD23 LEU 88 -8.805 -8.400 -5.096 No H/Q in entry = 11 In of MODEL 7 1 H SER 89 H SER 89 -10.282 -13.727 -4.001 2 HA SER 89 HA SER 89 -11.159 -15.326 -1.858 3 HB2 SER 89 HB2 SER 89 -9.557 -16.394 -4.144 4 HB3 SER 89 HB3 SER 89 -10.845 -17.181 -3.256 5 HG SER 89 HG SER 89 -10.969 -15.501 -5.418 No H/Q in entry = 5 In of MODEL 7 1 H GLN 90 H GLN 90 -8.206 -13.934 -2.529 2 HA GLN 90 HA GLN 90 -7.001 -15.006 -0.159 3 HB2 GLN 90 HB2 GLN 90 -4.854 -15.626 -1.444 4 HB3 GLN 90 HB3 GLN 90 -6.173 -16.768 -1.704 5 HG2 GLN 90 HG2 GLN 90 -5.783 -14.516 -3.641 6 HG3 GLN 90 HG3 GLN 90 -4.747 -15.941 -3.716 7 HE21 GLN 90 HE21 GLN 90 -6.710 -14.788 -5.488 8 HE22 GLN 90 HE22 GLN 90 -7.848 -16.035 -5.789 No H/Q in entry = 8 In of MODEL 7 1 HA PRO 91 HA PRO 91 -5.882 -10.671 0.010 2 HB2 PRO 91 HB2 PRO 91 -3.412 -11.961 1.150 3 HB3 PRO 91 HB3 PRO 91 -4.260 -10.495 1.682 4 HG2 PRO 91 HG2 PRO 91 -4.680 -12.736 2.986 5 HG3 PRO 91 HG3 PRO 91 -6.068 -11.709 2.541 6 HD2 PRO 91 HD2 PRO 91 -5.123 -14.292 1.327 7 HD3 PRO 91 HD3 PRO 91 -6.799 -13.701 1.543 No H/Q in entry = 7 In of MODEL 7 1 H LYS 92 H LYS 92 -4.384 -9.228 -0.952 2 HA LYS 92 HA LYS 92 -3.153 -10.493 -3.299 3 HB2 LYS 92 HB2 LYS 92 -5.150 -9.073 -3.778 4 HB3 LYS 92 HB3 LYS 92 -4.272 -7.699 -3.126 5 HG2 LYS 92 HG2 LYS 92 -4.098 -7.700 -5.533 6 HG3 LYS 92 HG3 LYS 92 -2.518 -8.055 -4.813 7 HD2 LYS 92 HD2 LYS 92 -2.693 -9.645 -6.505 8 HD3 LYS 92 HD3 LYS 92 -3.213 -10.515 -5.060 9 HE2 LYS 92 HE2 LYS 92 -5.574 -9.986 -5.689 10 HE3 LYS 92 HE3 LYS 92 -4.964 -9.334 -7.210 11 HZ1 LYS 92 HZ1 LYS 92 -3.829 -11.661 -7.360 12 HZ2 LYS 92 HZ2 LYS 92 -5.059 -12.115 -6.282 13 HZ3 LYS 92 HZ3 LYS 92 -5.460 -11.476 -7.798 No H/Q in entry = 13 In of MODEL 7 1 H ILE 93 H ILE 93 -1.059 -10.235 -3.552 2 HA ILE 93 HA ILE 93 0.247 -7.993 -2.165 3 HB ILE 93 HB ILE 93 1.407 -10.669 -2.931 4 HG12 ILE 93 HG12 ILE 93 1.993 -10.583 -0.393 5 HG13 ILE 93 HG13 ILE 93 0.730 -9.368 -0.311 6 HG21 ILE 93 HG21 ILE 93 3.013 -8.881 -3.390 7 HG22 ILE 93 HG22 ILE 93 2.843 -8.314 -1.728 8 HG23 ILE 93 HG23 ILE 93 3.533 -9.905 -2.049 9 HD11 ILE 93 HD11 ILE 93 0.380 -12.186 -1.298 10 HD12 ILE 93 HD12 ILE 93 -0.073 -11.585 0.297 11 HD13 ILE 93 HD13 ILE 93 -0.886 -10.968 -1.140 No H/Q in entry = 11 In of MODEL 7 1 H VAL 94 H VAL 94 1.219 -6.539 -3.356 2 HA VAL 94 HA VAL 94 2.183 -7.284 -6.023 3 HB VAL 94 HB VAL 94 0.913 -4.628 -5.311 4 HG11 VAL 94 HG11 VAL 94 2.131 -5.560 -7.908 5 HG12 VAL 94 HG12 VAL 94 1.263 -4.044 -7.667 6 HG13 VAL 94 HG13 VAL 94 2.789 -4.330 -6.828 7 HG21 VAL 94 HG21 VAL 94 -0.742 -6.387 -5.656 8 HG22 VAL 94 HG22 VAL 94 -0.781 -5.221 -6.978 9 HG23 VAL 94 HG23 VAL 94 -0.005 -6.789 -7.206 No H/Q in entry = 9 In of MODEL 7 1 H LYS 95 H LYS 95 4.210 -6.715 -6.397 2 HA LYS 95 HA LYS 95 5.753 -5.803 -4.129 3 HB2 LYS 95 HB2 LYS 95 6.531 -6.711 -6.885 4 HB3 LYS 95 HB3 LYS 95 7.696 -6.122 -5.707 5 HG2 LYS 95 HG2 LYS 95 6.975 -7.929 -4.168 6 HG3 LYS 95 HG3 LYS 95 5.964 -8.569 -5.471 7 HD2 LYS 95 HD2 LYS 95 7.824 -9.022 -6.835 8 HD3 LYS 95 HD3 LYS 95 8.898 -8.048 -5.837 9 HE2 LYS 95 HE2 LYS 95 9.407 -10.322 -5.389 10 HE3 LYS 95 HE3 LYS 95 8.528 -9.715 -3.989 11 HZ1 LYS 95 HZ1 LYS 95 6.505 -10.749 -4.918 12 HZ2 LYS 95 HZ2 LYS 95 7.433 -11.397 -6.180 13 HZ3 LYS 95 HZ3 LYS 95 7.726 -11.878 -4.581 No H/Q in entry = 13 In of MODEL 7 1 H TRP 96 H TRP 96 7.096 -3.956 -4.084 2 HA TRP 96 HA TRP 96 6.051 -1.715 -5.582 3 HB2 TRP 96 HB2 TRP 96 6.576 -1.453 -3.183 4 HB3 TRP 96 HB3 TRP 96 8.258 -1.892 -3.483 5 HD1 TRP 96 HD1 TRP 96 5.770 0.872 -4.589 6 HE1 TRP 96 HE1 TRP 96 7.071 3.063 -4.817 7 HE3 TRP 96 HE3 TRP 96 10.456 -0.875 -3.559 8 HZ2 TRP 96 HZ2 TRP 96 9.744 3.959 -4.572 9 HZ3 TRP 96 HZ3 TRP 96 12.341 0.703 -3.581 10 HH2 TRP 96 HH2 TRP 96 11.988 3.087 -4.081 No H/Q in entry = 10 In of MODEL 7 1 H ASP 97 H ASP 97 6.954 -0.922 -7.399 2 HA ASP 97 HA ASP 97 9.706 -1.758 -7.986 3 HB2 ASP 97 HB2 ASP 97 9.213 -1.825 -10.351 4 HB3 ASP 97 HB3 ASP 97 8.065 -2.856 -9.504 No H/Q in entry = 4 In of MODEL 7 1 H ARG 98 H ARG 98 11.109 -0.287 -8.375 2 HA ARG 98 HA ARG 98 10.224 2.478 -8.748 3 HB2 ARG 98 HB2 ARG 98 12.436 3.128 -7.968 4 HB3 ARG 98 HB3 ARG 98 11.708 2.031 -6.824 5 HG2 ARG 98 HG2 ARG 98 13.640 0.960 -6.845 6 HG3 ARG 98 HG3 ARG 98 13.134 0.334 -8.413 7 HD2 ARG 98 HD2 ARG 98 15.367 1.227 -8.590 8 HD3 ARG 98 HD3 ARG 98 14.255 2.250 -9.499 9 HE ARG 98 HE ARG 98 14.564 3.264 -6.886 10 HH11 ARG 98 HH11 ARG 98 16.331 2.920 -9.888 11 HH12 ARG 98 HH12 ARG 98 17.318 4.326 -9.617 12 HH21 ARG 98 HH21 ARG 98 15.876 5.119 -6.531 13 HH22 ARG 98 HH22 ARG 98 17.059 5.563 -7.725 No H/Q in entry = 13 In of MODEL 7 1 H ASP 99 H ASP 99 12.136 -0.120 -10.025 2 HA ASP 99 HA ASP 99 11.642 0.905 -12.689 3 HB2 ASP 99 HB2 ASP 99 13.903 1.810 -11.981 4 HB3 ASP 99 HB3 ASP 99 14.458 0.140 -11.905 No H/Q in entry = 4 In of MODEL 7 1 H MET 100 H MET 100 11.882 -1.520 -10.466 2 HA MET 100 HA MET 100 12.730 -3.809 -11.698 3 HB2 MET 100 HB2 MET 100 10.303 -3.572 -9.903 4 HB3 MET 100 HB3 MET 100 11.231 -5.033 -10.203 5 HG2 MET 100 HG2 MET 100 12.292 -2.558 -8.864 6 HG3 MET 100 HG3 MET 100 11.716 -3.998 -8.027 7 HE1 MET 100 HE1 MET 100 13.999 -4.120 -6.698 8 HE2 MET 100 HE2 MET 100 15.585 -4.148 -7.468 9 HE3 MET 100 HE3 MET 100 14.593 -2.692 -7.544 No H/Q in entry = 9 In of MODEL 8 1 HA ILE 2 HA ILE 2 -21.357 -10.243 -2.781 2 HB ILE 2 HB ILE 2 -18.842 -10.664 -3.307 3 HG12 ILE 2 HG12 ILE 2 -19.108 -11.614 -5.897 4 HG13 ILE 2 HG13 ILE 2 -19.903 -10.047 -5.974 5 HG21 ILE 2 HG21 ILE 2 -21.025 -12.438 -4.369 6 HG22 ILE 2 HG22 ILE 2 -19.371 -12.946 -4.031 7 HG23 ILE 2 HG23 ILE 2 -20.409 -12.391 -2.718 8 HD11 ILE 2 HD11 ILE 2 -17.868 -8.998 -5.078 9 HD12 ILE 2 HD12 ILE 2 -17.078 -10.575 -5.073 10 HD13 ILE 2 HD13 ILE 2 -17.587 -9.848 -6.597 No H/Q in entry = 10 In of MODEL 8 1 H GLN 3 H GLN 3 -19.616 -8.002 -4.959 2 HA GLN 3 HA GLN 3 -19.481 -5.761 -3.400 3 HB2 GLN 3 HB2 GLN 3 -18.283 -7.555 -1.812 4 HB3 GLN 3 HB3 GLN 3 -16.926 -7.283 -2.883 5 HG2 GLN 3 HG2 GLN 3 -16.630 -5.901 -0.982 6 HG3 GLN 3 HG3 GLN 3 -17.045 -4.861 -2.346 7 HE21 GLN 3 HE21 GLN 3 -17.289 -4.411 0.532 8 HE22 GLN 3 HE22 GLN 3 -18.950 -4.036 0.818 No H/Q in entry = 8 In of MODEL 8 1 H ARG 4 H ARG 4 -16.847 -4.937 -3.758 2 HA ARG 4 HA ARG 4 -16.190 -5.572 -6.551 3 HB2 ARG 4 HB2 ARG 4 -17.059 -3.360 -6.687 4 HB3 ARG 4 HB3 ARG 4 -16.222 -2.883 -5.198 5 HG2 ARG 4 HG2 ARG 4 -14.364 -2.308 -6.324 6 HG3 ARG 4 HG3 ARG 4 -14.330 -3.859 -7.118 7 HD2 ARG 4 HD2 ARG 4 -16.104 -1.650 -8.156 8 HD3 ARG 4 HD3 ARG 4 -14.424 -1.851 -8.652 9 HE ARG 4 HE ARG 4 -15.373 -4.291 -9.092 10 HH11 ARG 4 HH11 ARG 4 -16.703 -1.148 -9.903 11 HH12 ARG 4 HH12 ARG 4 -17.518 -1.728 -11.328 12 HH21 ARG 4 HH21 ARG 4 -16.412 -5.048 -10.968 13 HH22 ARG 4 HH22 ARG 4 -17.350 -3.943 -11.942 No H/Q in entry = 13 In of MODEL 8 1 H THR 5 H THR 5 -14.028 -5.926 -6.934 2 HA THR 5 HA THR 5 -12.503 -6.528 -4.619 3 HB THR 5 HB THR 5 -10.850 -7.461 -6.066 4 HG1 THR 5 HG1 THR 5 -11.192 -5.445 -7.560 5 HG21 THR 5 HG21 THR 5 -13.638 -7.829 -7.127 6 HG22 THR 5 HG22 THR 5 -12.264 -8.720 -7.781 7 HG23 THR 5 HG23 THR 5 -12.704 -8.899 -6.085 No H/Q in entry = 7 In of MODEL 8 1 HA PRO 6 HA PRO 6 -10.589 -2.463 -4.379 2 HB2 PRO 6 HB2 PRO 6 -8.937 -3.588 -2.263 3 HB3 PRO 6 HB3 PRO 6 -10.152 -2.313 -2.161 4 HG2 PRO 6 HG2 PRO 6 -10.459 -4.809 -1.080 5 HG3 PRO 6 HG3 PRO 6 -11.814 -3.759 -1.562 6 HD2 PRO 6 HD2 PRO 6 -10.643 -6.143 -2.945 7 HD3 PRO 6 HD3 PRO 6 -12.327 -5.558 -2.904 No H/Q in entry = 7 In of MODEL 8 1 H LYS 7 H LYS 7 -8.930 -1.877 -5.626 2 HA LYS 7 HA LYS 7 -7.129 -3.991 -6.516 3 HB2 LYS 7 HB2 LYS 7 -8.439 -2.599 -8.147 4 HB3 LYS 7 HB3 LYS 7 -7.524 -1.195 -7.626 5 HG2 LYS 7 HG2 LYS 7 -5.484 -2.151 -8.473 6 HG3 LYS 7 HG3 LYS 7 -6.322 -3.653 -8.881 7 HD2 LYS 7 HD2 LYS 7 -7.756 -2.403 -10.441 8 HD3 LYS 7 HD3 LYS 7 -6.865 -0.930 -10.060 9 HE2 LYS 7 HE2 LYS 7 -4.831 -1.895 -10.951 10 HE3 LYS 7 HE3 LYS 7 -5.660 -3.424 -11.249 11 HZ1 LYS 7 HZ1 LYS 7 -6.380 -0.836 -12.517 12 HZ2 LYS 7 HZ2 LYS 7 -5.445 -2.043 -13.255 13 HZ3 LYS 7 HZ3 LYS 7 -7.066 -2.348 -12.854 No H/Q in entry = 13 In of MODEL 8 1 H ILE 8 H ILE 8 -4.846 -3.645 -6.648 2 HA ILE 8 HA ILE 8 -3.964 -2.268 -4.235 3 HB ILE 8 HB ILE 8 -2.163 -3.925 -5.968 4 HG12 ILE 8 HG12 ILE 8 -4.129 -5.319 -5.723 5 HG13 ILE 8 HG13 ILE 8 -2.862 -5.928 -4.670 6 HG21 ILE 8 HG21 ILE 8 -1.188 -2.714 -4.101 7 HG22 ILE 8 HG22 ILE 8 -2.335 -3.467 -2.992 8 HG23 ILE 8 HG23 ILE 8 -1.122 -4.452 -3.810 9 HD11 ILE 8 HD11 ILE 8 -3.935 -4.815 -2.771 10 HD12 ILE 8 HD12 ILE 8 -5.226 -4.268 -3.843 11 HD13 ILE 8 HD13 ILE 8 -4.989 -5.994 -3.554 No H/Q in entry = 11 In of MODEL 8 1 H GLN 9 H GLN 9 -3.237 -0.279 -4.414 2 HA GLN 9 HA GLN 9 -1.489 0.351 -6.694 3 HB2 GLN 9 HB2 GLN 9 -3.280 2.157 -5.062 4 HB3 GLN 9 HB3 GLN 9 -2.103 2.742 -6.246 5 HG2 GLN 9 HG2 GLN 9 -3.315 1.802 -8.036 6 HG3 GLN 9 HG3 GLN 9 -4.316 0.834 -6.953 7 HE21 GLN 9 HE21 GLN 9 -3.707 4.025 -8.213 8 HE22 GLN 9 HE22 GLN 9 -5.215 4.721 -7.711 No H/Q in entry = 8 In of MODEL 8 1 H VAL 10 H VAL 10 0.567 0.395 -6.071 2 HA VAL 10 HA VAL 10 1.236 1.642 -3.518 3 HB VAL 10 HB VAL 10 1.349 -0.586 -2.781 4 HG11 VAL 10 HG11 VAL 10 1.061 -1.633 -4.994 5 HG12 VAL 10 HG12 VAL 10 2.781 -1.391 -5.304 6 HG13 VAL 10 HG13 VAL 10 2.259 -2.445 -3.985 7 HG21 VAL 10 HG21 VAL 10 4.117 0.140 -3.740 8 HG22 VAL 10 HG22 VAL 10 3.385 0.563 -2.191 9 HG23 VAL 10 HG23 VAL 10 3.762 -1.122 -2.562 No H/Q in entry = 9 In of MODEL 8 1 H TYR 11 H TYR 11 2.851 2.998 -3.643 2 HA TYR 11 HA TYR 11 4.940 2.809 -5.582 3 HB2 TYR 11 HB2 TYR 11 4.402 4.926 -6.769 4 HB3 TYR 11 HB3 TYR 11 3.199 3.680 -7.059 5 HD1 TYR 11 HD1 TYR 11 3.861 6.874 -5.353 6 HD2 TYR 11 HD2 TYR 11 0.931 3.950 -6.328 7 HE1 TYR 11 HE1 TYR 11 2.087 8.435 -4.675 8 HE2 TYR 11 HE2 TYR 11 -0.849 5.501 -5.654 9 HH TYR 11 HH TYR 11 -1.047 7.493 -4.088 No H/Q in entry = 9 In of MODEL 8 1 H SER 12 H SER 12 6.292 4.924 -5.433 2 HA SER 12 HA SER 12 6.634 5.422 -2.600 3 HB2 SER 12 HB2 SER 12 8.556 4.973 -4.146 4 HB3 SER 12 HB3 SER 12 8.219 6.510 -4.926 5 HG SER 12 HG SER 12 9.200 7.498 -3.362 No H/Q in entry = 5 In of MODEL 8 1 H ARG 13 H ARG 13 6.332 7.352 -1.562 2 HA ARG 13 HA ARG 13 4.283 9.025 -2.523 3 HB2 ARG 13 HB2 ARG 13 5.005 8.665 -0.092 4 HB3 ARG 13 HB3 ARG 13 6.341 9.755 -0.407 5 HG2 ARG 13 HG2 ARG 13 3.457 10.597 -0.689 6 HG3 ARG 13 HG3 ARG 13 4.378 10.734 0.801 7 HD2 ARG 13 HD2 ARG 13 5.138 12.001 -1.822 8 HD3 ARG 13 HD3 ARG 13 4.346 12.825 -0.488 9 HE ARG 13 HE ARG 13 7.100 11.809 -0.493 10 HH11 ARG 13 HH11 ARG 13 4.587 13.777 0.953 11 HH12 ARG 13 HH12 ARG 13 5.679 14.603 2.026 12 HH21 ARG 13 HH21 ARG 13 8.539 12.906 0.927 13 HH22 ARG 13 HH22 ARG 13 7.907 14.076 2.044 No H/Q in entry = 13 In of MODEL 8 1 H HIS 14 H HIS 14 7.782 9.480 -2.465 2 HA HIS 14 HA HIS 14 7.485 11.416 -4.635 3 HB2 HIS 14 HB2 HIS 14 8.791 11.872 -2.001 4 HB3 HIS 14 HB3 HIS 14 9.656 12.485 -3.408 5 HD2 HIS 14 HD2 HIS 14 6.201 13.029 -4.454 6 HE1 HIS 14 HE1 HIS 14 7.062 16.339 -1.965 7 HE2 HIS 14 HE2 HIS 14 5.608 15.481 -3.859 No H/Q in entry = 7 In of MODEL 8 1 HA PRO 15 HA PRO 15 10.867 9.513 -6.871 2 HB2 PRO 15 HB2 PRO 15 13.190 11.005 -6.161 3 HB3 PRO 15 HB3 PRO 15 12.214 11.154 -7.633 4 HG2 PRO 15 HG2 PRO 15 12.156 12.822 -5.145 5 HG3 PRO 15 HG3 PRO 15 11.726 13.256 -6.832 6 HD2 PRO 15 HD2 PRO 15 9.844 12.880 -4.928 7 HD3 PRO 15 HD3 PRO 15 9.569 12.415 -6.635 No H/Q in entry = 7 In of MODEL 8 1 H ALA 16 H ALA 16 11.432 7.581 -6.185 2 HA ALA 16 HA ALA 16 12.454 7.174 -3.515 3 HB1 ALA 16 HB1 ALA 16 10.636 5.782 -4.393 4 HB2 ALA 16 HB2 ALA 16 11.720 5.177 -5.645 5 HB3 ALA 16 HB3 ALA 16 12.048 4.824 -3.948 No H/Q in entry = 5 In of MODEL 8 1 H GLU 17 H GLU 17 14.437 6.451 -3.022 2 HA GLU 17 HA GLU 17 16.354 6.032 -5.196 3 HB2 GLU 17 HB2 GLU 17 16.362 8.363 -4.102 4 HB3 GLU 17 HB3 GLU 17 17.026 7.553 -2.686 5 HG2 GLU 17 HG2 GLU 17 18.857 8.420 -3.891 6 HG3 GLU 17 HG3 GLU 17 18.839 6.681 -4.182 No H/Q in entry = 6 In of MODEL 8 1 H ASN 18 H ASN 18 17.687 4.336 -4.907 2 HA ASN 18 HA ASN 18 17.359 2.666 -2.565 3 HB2 ASN 18 HB2 ASN 18 17.519 1.289 -4.387 4 HB3 ASN 18 HB3 ASN 18 18.607 2.373 -5.258 5 HD21 ASN 18 HD21 ASN 18 20.203 1.000 -5.795 6 HD22 ASN 18 HD22 ASN 18 21.164 0.110 -4.660 No H/Q in entry = 6 In of MODEL 8 1 H GLY 19 H GLY 19 18.753 2.387 -0.934 2 HA2 GLY 19 HA2 GLY 19 21.404 3.538 -0.969 3 HA3 GLY 19 HA3 GLY 19 20.606 2.740 0.401 No H/Q in entry = 3 In of MODEL 8 1 H LYS 20 H LYS 20 18.212 4.341 0.070 2 HA LYS 20 HA LYS 20 19.038 6.790 1.376 3 HB2 LYS 20 HB2 LYS 20 19.166 7.098 -1.162 4 HB3 LYS 20 HB3 LYS 20 17.417 6.963 -1.151 5 HG2 LYS 20 HG2 LYS 20 18.163 9.272 -1.165 6 HG3 LYS 20 HG3 LYS 20 17.220 8.901 0.265 7 HD2 LYS 20 HD2 LYS 20 19.099 8.924 1.607 8 HD3 LYS 20 HD3 LYS 20 20.212 8.773 0.266 9 HE2 LYS 20 HE2 LYS 20 18.517 11.193 0.916 10 HE3 LYS 20 HE3 LYS 20 20.251 11.038 1.206 11 HZ1 LYS 20 HZ1 LYS 20 20.433 10.638 -1.274 12 HZ2 LYS 20 HZ2 LYS 20 18.839 11.210 -1.394 13 HZ3 LYS 20 HZ3 LYS 20 20.062 12.216 -0.783 No H/Q in entry = 13 In of MODEL 8 1 H SER 21 H SER 21 17.344 7.786 2.458 2 HA SER 21 HA SER 21 15.173 5.973 3.054 3 HB2 SER 21 HB2 SER 21 16.052 8.575 4.284 4 HB3 SER 21 HB3 SER 21 14.688 7.623 4.868 5 HG SER 21 HG SER 21 16.555 5.882 4.759 No H/Q in entry = 5 In of MODEL 8 1 H ASN 22 H ASN 22 13.041 6.345 2.715 2 HA ASN 22 HA ASN 22 12.150 8.867 1.561 3 HB2 ASN 22 HB2 ASN 22 12.974 7.038 -0.256 4 HB3 ASN 22 HB3 ASN 22 11.353 6.431 0.038 5 HD21 ASN 22 HD21 ASN 22 13.114 9.359 -1.004 6 HD22 ASN 22 HD22 ASN 22 11.789 9.983 -1.914 No H/Q in entry = 6 In of MODEL 8 1 H PHE 23 H PHE 23 9.605 8.078 0.714 2 HA PHE 23 HA PHE 23 8.480 6.889 3.160 3 HB2 PHE 23 HB2 PHE 23 7.607 9.388 1.702 4 HB3 PHE 23 HB3 PHE 23 6.552 8.517 2.804 5 HD1 PHE 23 HD1 PHE 23 6.382 9.349 4.901 6 HD2 PHE 23 HD2 PHE 23 10.043 9.871 2.806 7 HE1 PHE 23 HE1 PHE 23 7.279 10.630 6.800 8 HE2 PHE 23 HE2 PHE 23 10.951 11.147 4.703 9 HZ PHE 23 HZ PHE 23 9.567 11.523 6.705 No H/Q in entry = 9 In of MODEL 8 1 H LEU 24 H LEU 24 7.242 5.176 2.692 2 HA LEU 24 HA LEU 24 6.626 4.519 -0.050 3 HB2 LEU 24 HB2 LEU 24 7.016 3.113 2.307 4 HB3 LEU 24 HB3 LEU 24 5.308 2.908 1.986 5 HG LEU 24 HG LEU 24 7.613 2.086 0.189 6 HD11 LEU 24 HD11 LEU 24 7.231 0.638 2.114 7 HD12 LEU 24 HD12 LEU 24 5.533 0.476 1.667 8 HD13 LEU 24 HD13 LEU 24 6.788 -0.172 0.610 9 HD21 LEU 24 HD21 LEU 24 4.639 1.954 -0.322 10 HD22 LEU 24 HD22 LEU 24 5.863 2.788 -1.285 11 HD23 LEU 24 HD23 LEU 24 5.843 1.026 -1.219 No H/Q in entry = 11 In of MODEL 8 1 H ASN 25 H ASN 25 4.462 4.001 -0.768 2 HA ASN 25 HA ASN 25 2.289 5.049 0.855 3 HB2 ASN 25 HB2 ASN 25 2.791 6.933 -0.540 4 HB3 ASN 25 HB3 ASN 25 2.890 5.919 -1.979 5 HD21 ASN 25 HD21 ASN 25 0.845 7.531 0.277 6 HD22 ASN 25 HD22 ASN 25 -0.635 7.319 -0.600 No H/Q in entry = 6 In of MODEL 8 1 H CYS 26 H CYS 26 0.683 3.656 0.920 2 HA CYS 26 HA CYS 26 0.271 1.861 -1.366 3 HB2 CYS 26 HB2 CYS 26 1.257 0.857 0.841 4 HB3 CYS 26 HB3 CYS 26 -0.402 1.014 1.429 No H/Q in entry = 4 In of MODEL 8 1 H TYR 27 H TYR 27 -1.636 2.176 -2.246 2 HA TYR 27 HA TYR 27 -3.725 3.542 -0.675 3 HB2 TYR 27 HB2 TYR 27 -2.455 4.258 -3.220 4 HB3 TYR 27 HB3 TYR 27 -4.201 4.152 -3.344 5 HD1 TYR 27 HD1 TYR 27 -5.469 5.477 -1.337 6 HD2 TYR 27 HD2 TYR 27 -1.550 6.308 -2.769 7 HE1 TYR 27 HE1 TYR 27 -5.685 7.805 -0.578 8 HE2 TYR 27 HE2 TYR 27 -1.747 8.622 -1.981 9 HH TYR 27 HH TYR 27 -3.555 10.247 -1.499 No H/Q in entry = 9 In of MODEL 8 1 H VAL 28 H VAL 28 -5.019 1.784 -0.291 2 HA VAL 28 HA VAL 28 -5.667 0.116 -2.606 3 HB VAL 28 HB VAL 28 -6.665 -0.428 0.174 4 HG11 VAL 28 HG11 VAL 28 -6.032 -2.148 -2.214 5 HG12 VAL 28 HG12 VAL 28 -6.625 -2.744 -0.663 6 HG13 VAL 28 HG13 VAL 28 -7.639 -1.687 -1.649 7 HG21 VAL 28 HG21 VAL 28 -3.974 -1.209 -0.947 8 HG22 VAL 28 HG22 VAL 28 -4.274 -0.180 0.458 9 HG23 VAL 28 HG23 VAL 28 -4.697 -1.893 0.513 No H/Q in entry = 9 In of MODEL 8 1 H SER 29 H SER 29 -7.397 0.666 -3.747 2 HA SER 29 HA SER 29 -9.728 1.770 -2.431 3 HB2 SER 29 HB2 SER 29 -8.192 3.711 -2.973 4 HB3 SER 29 HB3 SER 29 -8.379 3.295 -4.675 5 HG SER 29 HG SER 29 -10.297 4.286 -2.857 No H/Q in entry = 5 In of MODEL 8 1 H GLY 30 H GLY 30 -11.274 2.430 -4.485 2 HA2 GLY 30 HA2 GLY 30 -11.159 0.209 -6.394 3 HA3 GLY 30 HA3 GLY 30 -12.234 1.602 -6.489 No H/Q in entry = 3 In of MODEL 8 1 H PHE 31 H PHE 31 -12.623 1.180 -3.502 2 HA PHE 31 HA PHE 31 -14.822 -0.712 -3.744 3 HB2 PHE 31 HB2 PHE 31 -14.240 -1.909 -1.728 4 HB3 PHE 31 HB3 PHE 31 -12.787 -1.894 -2.747 5 HD1 PHE 31 HD1 PHE 31 -14.075 -1.260 0.470 6 HD2 PHE 31 HD2 PHE 31 -11.123 0.062 -2.290 7 HE1 PHE 31 HE1 PHE 31 -12.817 -0.231 2.313 8 HE2 PHE 31 HE2 PHE 31 -9.869 1.100 -0.455 9 HZ PHE 31 HZ PHE 31 -10.717 0.980 1.851 No H/Q in entry = 9 In of MODEL 8 1 H HIS 32 H HIS 32 -16.372 -0.362 -1.807 2 HA HIS 32 HA HIS 32 -15.923 1.961 -0.214 3 HB2 HIS 32 HB2 HIS 32 -17.891 3.247 -1.076 4 HB3 HIS 32 HB3 HIS 32 -16.557 3.147 -2.216 5 HD2 HIS 32 HD2 HIS 32 -20.043 1.365 -1.697 6 HE1 HIS 32 HE1 HIS 32 -19.046 1.467 -5.806 7 HE2 HIS 32 HE2 HIS 32 -20.878 0.984 -4.124 No H/Q in entry = 7 In of MODEL 8 1 HA PRO 33 HA PRO 33 -17.931 3.580 0.688 2 HB2 PRO 33 HB2 PRO 33 -18.242 3.040 3.581 3 HB3 PRO 33 HB3 PRO 33 -19.036 4.246 2.566 4 HG2 PRO 33 HG2 PRO 33 -20.357 2.100 3.442 5 HG3 PRO 33 HG3 PRO 33 -20.639 2.753 1.817 6 HD2 PRO 33 HD2 PRO 33 -19.052 0.358 2.650 7 HD3 PRO 33 HD3 PRO 33 -20.131 0.568 1.246 No H/Q in entry = 7 In of MODEL 8 1 H SER 34 H SER 34 -16.789 1.699 3.474 2 HA SER 34 HA SER 34 -14.061 2.726 3.048 3 HB2 SER 34 HB2 SER 34 -15.386 2.540 5.764 4 HB3 SER 34 HB3 SER 34 -13.831 3.273 5.375 5 HG SER 34 HG SER 34 -15.091 4.752 4.013 No H/Q in entry = 5 In of MODEL 8 1 H ASP 35 H ASP 35 -12.730 1.392 5.194 2 HA ASP 35 HA ASP 35 -12.207 -0.406 6.220 3 HB2 ASP 35 HB2 ASP 35 -14.963 -1.358 5.517 4 HB3 ASP 35 HB3 ASP 35 -13.823 -2.272 6.502 No H/Q in entry = 4 In of MODEL 8 1 H ILE 36 H ILE 36 -10.543 -0.813 4.866 2 HA ILE 36 HA ILE 36 -10.645 -3.651 4.231 3 HB ILE 36 HB ILE 36 -10.541 -2.265 2.054 4 HG12 ILE 36 HG12 ILE 36 -8.640 -4.434 2.870 5 HG13 ILE 36 HG13 ILE 36 -9.997 -4.505 1.755 6 HG21 ILE 36 HG21 ILE 36 -8.964 -0.576 2.946 7 HG22 ILE 36 HG22 ILE 36 -7.719 -1.820 3.023 8 HG23 ILE 36 HG23 ILE 36 -8.379 -1.330 1.460 9 HD11 ILE 36 HD11 ILE 36 -7.337 -3.199 1.223 10 HD12 ILE 36 HD12 ILE 36 -7.873 -4.762 0.603 11 HD13 ILE 36 HD13 ILE 36 -8.689 -3.285 0.089 No H/Q in entry = 11 In of MODEL 8 1 H GLU 37 H GLU 37 -8.465 -4.697 4.544 2 HA GLU 37 HA GLU 37 -6.868 -3.088 6.392 3 HB2 GLU 37 HB2 GLU 37 -8.257 -5.095 7.294 4 HB3 GLU 37 HB3 GLU 37 -7.072 -6.086 6.451 5 HG2 GLU 37 HG2 GLU 37 -6.518 -5.824 8.816 6 HG3 GLU 37 HG3 GLU 37 -5.282 -5.106 7.778 No H/Q in entry = 6 In of MODEL 8 1 H VAL 38 H VAL 38 -4.821 -2.842 5.750 2 HA VAL 38 HA VAL 38 -3.690 -4.731 3.840 3 HB VAL 38 HB VAL 38 -3.993 -3.349 2.129 4 HG11 VAL 38 HG11 VAL 38 -4.579 -1.176 4.111 5 HG12 VAL 38 HG12 VAL 38 -4.738 -1.005 2.363 6 HG13 VAL 38 HG13 VAL 38 -5.734 -2.177 3.229 7 HG21 VAL 38 HG21 VAL 38 -2.003 -1.568 3.541 8 HG22 VAL 38 HG22 VAL 38 -1.633 -2.874 2.419 9 HG23 VAL 38 HG23 VAL 38 -2.461 -1.424 1.841 No H/Q in entry = 9 In of MODEL 8 1 H ASP 39 H ASP 39 -1.589 -5.087 4.040 2 HA ASP 39 HA ASP 39 -0.091 -3.561 6.069 3 HB2 ASP 39 HB2 ASP 39 -0.332 -6.571 5.866 4 HB3 ASP 39 HB3 ASP 39 0.871 -5.762 6.849 No H/Q in entry = 4 In of MODEL 8 1 H LEU 40 H LEU 40 2.159 -3.423 5.725 2 HA LEU 40 HA LEU 40 2.891 -3.866 2.938 3 HB2 LEU 40 HB2 LEU 40 4.453 -2.335 5.007 4 HB3 LEU 40 HB3 LEU 40 4.589 -2.233 3.262 5 HG LEU 40 HG LEU 40 2.267 -1.250 4.919 6 HD11 LEU 40 HD11 LEU 40 4.431 0.237 3.434 7 HD12 LEU 40 HD12 LEU 40 3.037 0.976 4.223 8 HD13 LEU 40 HD13 LEU 40 4.247 0.127 5.186 9 HD21 LEU 40 HD21 LEU 40 2.749 -1.170 1.951 10 HD22 LEU 40 HD22 LEU 40 1.421 -1.961 2.804 11 HD23 LEU 40 HD23 LEU 40 1.537 -0.197 2.788 No H/Q in entry = 11 In of MODEL 8 1 H LEU 41 H LEU 41 4.642 -5.063 2.314 2 HA LEU 41 HA LEU 41 5.898 -6.743 4.386 3 HB2 LEU 41 HB2 LEU 41 5.695 -7.512 1.516 4 HB3 LEU 41 HB3 LEU 41 5.977 -8.523 2.896 5 HG LEU 41 HG LEU 41 3.355 -7.178 2.303 6 HD11 LEU 41 HD11 LEU 41 4.256 -10.017 1.838 7 HD12 LEU 41 HD12 LEU 41 2.617 -9.409 1.610 8 HD13 LEU 41 HD13 LEU 41 3.925 -8.808 0.595 9 HD21 LEU 41 HD21 LEU 41 3.714 -7.642 4.673 10 HD22 LEU 41 HD22 LEU 41 2.480 -8.707 3.999 11 HD23 LEU 41 HD23 LEU 41 4.109 -9.319 4.291 No H/Q in entry = 11 In of MODEL 8 1 H LYS 42 H LYS 42 7.798 -7.897 3.431 2 HA LYS 42 HA LYS 42 9.619 -6.308 1.822 3 HB2 LYS 42 HB2 LYS 42 10.485 -7.256 4.537 4 HB3 LYS 42 HB3 LYS 42 11.363 -6.202 3.451 5 HG2 LYS 42 HG2 LYS 42 9.771 -4.391 3.831 6 HG3 LYS 42 HG3 LYS 42 8.722 -5.489 4.713 7 HD2 LYS 42 HD2 LYS 42 11.557 -4.988 5.686 8 HD3 LYS 42 HD3 LYS 42 10.195 -3.943 6.150 9 HE2 LYS 42 HE2 LYS 42 9.009 -6.031 6.924 10 HE3 LYS 42 HE3 LYS 42 10.519 -6.900 6.660 11 HZ1 LYS 42 HZ1 LYS 42 11.551 -5.239 8.227 12 HZ2 LYS 42 HZ2 LYS 42 9.979 -4.745 8.620 13 HZ3 LYS 42 HZ3 LYS 42 10.461 -6.336 8.931 No H/Q in entry = 13 In of MODEL 8 1 H ASN 43 H ASN 43 9.838 -7.869 0.369 2 HA ASN 43 HA ASN 43 10.538 -9.773 -0.657 3 HB2 ASN 43 HB2 ASN 43 12.308 -9.516 1.402 4 HB3 ASN 43 HB3 ASN 43 11.632 -11.106 1.734 5 HD21 ASN 43 HD21 ASN 43 13.543 -9.197 -0.415 6 HD22 ASN 43 HD22 ASN 43 14.131 -10.500 -1.390 No H/Q in entry = 6 In of MODEL 8 1 H GLY 44 H GLY 44 8.612 -9.831 2.109 2 HA2 GLY 44 HA2 GLY 44 7.813 -12.625 1.828 3 HA3 GLY 44 HA3 GLY 44 6.596 -11.389 1.510 No H/Q in entry = 3 In of MODEL 8 1 H GLU 45 H GLU 45 8.589 -10.079 3.703 2 HA GLU 45 HA GLU 45 7.344 -11.334 6.036 3 HB2 GLU 45 HB2 GLU 45 9.794 -9.615 5.874 4 HB3 GLU 45 HB3 GLU 45 9.325 -10.676 7.202 5 HG2 GLU 45 HG2 GLU 45 10.035 -11.563 4.427 6 HG3 GLU 45 HG3 GLU 45 11.133 -11.563 5.780 No H/Q in entry = 6 In of MODEL 8 1 H ARG 46 H ARG 46 6.402 -10.022 7.634 2 HA ARG 46 HA ARG 46 5.132 -7.714 6.584 3 HB2 ARG 46 HB2 ARG 46 4.172 -9.389 8.262 4 HB3 ARG 46 HB3 ARG 46 5.145 -8.563 9.483 5 HG2 ARG 46 HG2 ARG 46 3.902 -6.552 9.223 6 HG3 ARG 46 HG3 ARG 46 3.115 -7.148 7.769 7 HD2 ARG 46 HD2 ARG 46 1.875 -8.811 9.084 8 HD3 ARG 46 HD3 ARG 46 2.726 -8.282 10.545 9 HE ARG 46 HE ARG 46 1.137 -6.310 9.083 10 HH11 ARG 46 HH11 ARG 46 1.508 -8.380 11.883 11 HH12 ARG 46 HH12 ARG 46 0.177 -7.659 12.748 12 HH21 ARG 46 HH21 ARG 46 -0.611 -5.376 10.183 13 HH22 ARG 46 HH22 ARG 46 -1.028 -5.941 11.782 No H/Q in entry = 13 In of MODEL 8 1 H ILE 47 H ILE 47 5.295 -5.566 7.075 2 HA ILE 47 HA ILE 47 7.666 -4.646 8.520 3 HB ILE 47 HB ILE 47 5.622 -3.062 6.945 4 HG12 ILE 47 HG12 ILE 47 8.433 -3.832 6.185 5 HG13 ILE 47 HG13 ILE 47 6.991 -4.618 5.552 6 HG21 ILE 47 HG21 ILE 47 8.272 -2.263 8.149 7 HG22 ILE 47 HG22 ILE 47 7.315 -1.254 7.063 8 HG23 ILE 47 HG23 ILE 47 6.672 -1.705 8.644 9 HD11 ILE 47 HD11 ILE 47 7.484 -1.674 5.261 10 HD12 ILE 47 HD12 ILE 47 8.073 -2.856 4.096 11 HD13 ILE 47 HD13 ILE 47 6.344 -2.688 4.378 No H/Q in entry = 11 In of MODEL 8 1 H GLU 48 H GLU 48 7.492 -3.464 10.432 2 HA GLU 48 HA GLU 48 4.871 -3.668 11.658 3 HB2 GLU 48 HB2 GLU 48 6.331 -3.245 13.778 4 HB3 GLU 48 HB3 GLU 48 6.305 -4.825 13.018 5 HG2 GLU 48 HG2 GLU 48 8.426 -2.778 12.507 6 HG3 GLU 48 HG3 GLU 48 8.546 -3.982 13.767 No H/Q in entry = 6 In of MODEL 8 1 H LYS 49 H LYS 49 7.499 -1.197 11.308 2 HA LYS 49 HA LYS 49 6.041 0.838 12.544 3 HB2 LYS 49 HB2 LYS 49 8.279 1.026 10.550 4 HB3 LYS 49 HB3 LYS 49 7.697 2.344 11.570 5 HG2 LYS 49 HG2 LYS 49 8.185 0.910 13.537 6 HG3 LYS 49 HG3 LYS 49 8.945 -0.211 12.452 7 HD2 LYS 49 HD2 LYS 49 9.772 2.651 12.624 8 HD3 LYS 49 HD3 LYS 49 10.488 1.383 13.615 9 HE2 LYS 49 HE2 LYS 49 11.186 0.188 11.618 10 HE3 LYS 49 HE3 LYS 49 10.433 1.420 10.604 11 HZ1 LYS 49 HZ1 LYS 49 12.617 1.993 12.533 12 HZ2 LYS 49 HZ2 LYS 49 12.879 1.659 10.892 13 HZ3 LYS 49 HZ3 LYS 49 11.994 3.034 11.345 No H/Q in entry = 13 In of MODEL 8 1 H VAL 50 H VAL 50 4.839 -0.641 10.075 2 HA VAL 50 HA VAL 50 4.127 1.415 8.267 3 HB VAL 50 HB VAL 50 2.492 -0.995 9.073 4 HG11 VAL 50 HG11 VAL 50 1.229 0.799 7.922 5 HG12 VAL 50 HG12 VAL 50 2.365 0.688 6.570 6 HG13 VAL 50 HG13 VAL 50 1.337 -0.688 6.968 7 HG21 VAL 50 HG21 VAL 50 4.754 -1.550 8.258 8 HG22 VAL 50 HG22 VAL 50 3.480 -2.115 7.186 9 HG23 VAL 50 HG23 VAL 50 4.404 -0.676 6.767 No H/Q in entry = 9 In of MODEL 8 1 H GLU 51 H GLU 51 2.651 3.020 8.401 2 HA GLU 51 HA GLU 51 0.738 2.914 10.623 3 HB2 GLU 51 HB2 GLU 51 2.115 5.452 9.748 4 HB3 GLU 51 HB3 GLU 51 0.992 5.248 11.088 5 HG2 GLU 51 HG2 GLU 51 2.653 3.739 12.152 6 HG3 GLU 51 HG3 GLU 51 3.791 4.187 10.879 No H/Q in entry = 6 In of MODEL 8 1 H HIS 52 H HIS 52 -1.191 3.831 10.266 2 HA HIS 52 HA HIS 52 -1.792 4.690 7.522 3 HB2 HIS 52 HB2 HIS 52 -4.153 4.062 7.992 4 HB3 HIS 52 HB3 HIS 52 -3.038 2.708 8.023 5 HD2 HIS 52 HD2 HIS 52 -2.328 1.977 10.826 6 HE1 HIS 52 HE1 HIS 52 -6.139 3.266 12.140 7 HE2 HIS 52 HE2 HIS 52 -4.172 1.751 12.641 No H/Q in entry = 7 In of MODEL 8 1 H SER 53 H SER 53 -2.509 6.676 7.190 2 HA SER 53 HA SER 53 -2.649 8.501 9.421 3 HB2 SER 53 HB2 SER 53 -3.099 10.152 7.431 4 HB3 SER 53 HB3 SER 53 -1.507 9.386 7.537 5 HG SER 53 HG SER 53 -3.514 9.071 5.663 No H/Q in entry = 5 In of MODEL 8 1 H ASP 54 H ASP 54 -4.510 10.372 8.427 2 HA ASP 54 HA ASP 54 -6.793 9.628 9.781 3 HB2 ASP 54 HB2 ASP 54 -6.175 11.959 9.234 4 HB3 ASP 54 HB3 ASP 54 -6.620 11.668 7.555 No H/Q in entry = 4 In of MODEL 8 1 H LEU 55 H LEU 55 -8.804 8.938 9.234 2 HA LEU 55 HA LEU 55 -8.896 6.734 7.599 3 HB2 LEU 55 HB2 LEU 55 -10.461 7.519 9.517 4 HB3 LEU 55 HB3 LEU 55 -11.402 8.244 8.232 5 HG LEU 55 HG LEU 55 -12.164 5.974 9.038 6 HD11 LEU 55 HD11 LEU 55 -12.900 6.903 6.909 7 HD12 LEU 55 HD12 LEU 55 -11.484 6.215 6.115 8 HD13 LEU 55 HD13 LEU 55 -12.703 5.154 6.820 9 HD21 LEU 55 HD21 LEU 55 -9.693 5.080 7.563 10 HD22 LEU 55 HD22 LEU 55 -9.991 4.929 9.293 11 HD23 LEU 55 HD23 LEU 55 -10.978 4.022 8.146 No H/Q in entry = 11 In of MODEL 8 1 H SER 56 H SER 56 -11.148 9.392 6.839 2 HA SER 56 HA SER 56 -10.195 9.520 4.105 3 HB2 SER 56 HB2 SER 56 -13.000 8.498 4.605 4 HB3 SER 56 HB3 SER 56 -12.276 8.828 3.042 5 HG SER 56 HG SER 56 -10.630 7.176 4.204 No H/Q in entry = 5 In of MODEL 8 1 H PHE 57 H PHE 57 -11.707 10.901 2.754 2 HA PHE 57 HA PHE 57 -13.433 12.688 4.273 3 HB2 PHE 57 HB2 PHE 57 -12.528 14.681 3.163 4 HB3 PHE 57 HB3 PHE 57 -11.280 13.885 4.110 5 HD1 PHE 57 HD1 PHE 57 -12.348 14.909 0.806 6 HD2 PHE 57 HD2 PHE 57 -9.484 12.625 2.974 7 HE1 PHE 57 HE1 PHE 57 -10.887 14.872 -1.172 8 HE2 PHE 57 HE2 PHE 57 -8.017 12.584 1.000 9 HZ PHE 57 HZ PHE 57 -8.718 13.709 -1.077 No H/Q in entry = 9 In of MODEL 8 1 H SER 58 H SER 58 -15.236 13.285 3.108 2 HA SER 58 HA SER 58 -15.821 11.683 0.815 3 HB2 SER 58 HB2 SER 58 -17.424 13.994 1.928 4 HB3 SER 58 HB3 SER 58 -18.016 12.684 0.904 5 HG SER 58 HG SER 58 -17.025 12.474 3.563 No H/Q in entry = 5 In of MODEL 8 1 H LYS 59 H LYS 59 -15.735 12.179 -1.295 2 HA LYS 59 HA LYS 59 -15.361 14.979 -2.070 3 HB2 LYS 59 HB2 LYS 59 -13.156 13.604 -1.817 4 HB3 LYS 59 HB3 LYS 59 -13.650 12.853 -3.326 5 HG2 LYS 59 HG2 LYS 59 -13.441 15.829 -3.049 6 HG3 LYS 59 HG3 LYS 59 -12.038 14.830 -3.430 7 HD2 LYS 59 HD2 LYS 59 -13.226 13.955 -5.406 8 HD3 LYS 59 HD3 LYS 59 -14.591 15.010 -5.034 9 HE2 LYS 59 HE2 LYS 59 -13.082 15.904 -6.794 10 HE3 LYS 59 HE3 LYS 59 -13.255 16.973 -5.405 11 HZ1 LYS 59 HZ1 LYS 59 -10.964 15.138 -5.911 12 HZ2 LYS 59 HZ2 LYS 59 -10.958 16.822 -6.118 13 HZ3 LYS 59 HZ3 LYS 59 -11.127 16.160 -4.567 No H/Q in entry = 13 In of MODEL 8 1 H ASP 60 H ASP 60 -14.915 12.123 -4.096 2 HA ASP 60 HA ASP 60 -17.570 12.565 -5.267 3 HB2 ASP 60 HB2 ASP 60 -15.965 13.817 -6.633 4 HB3 ASP 60 HB3 ASP 60 -15.006 12.358 -6.854 No H/Q in entry = 4 In of MODEL 8 1 H TRP 61 H TRP 61 -14.674 10.512 -5.466 2 HA TRP 61 HA TRP 61 -16.344 8.257 -6.254 3 HB2 TRP 61 HB2 TRP 61 -13.346 8.605 -6.129 4 HB3 TRP 61 HB3 TRP 61 -14.140 7.110 -6.607 5 HD1 TRP 61 HD1 TRP 61 -12.963 10.379 -7.963 6 HE1 TRP 61 HE1 TRP 61 -13.574 10.566 -10.455 7 HE3 TRP 61 HE3 TRP 61 -16.157 6.407 -8.304 8 HZ2 TRP 61 HZ2 TRP 61 -15.200 9.208 -12.320 9 HZ3 TRP 61 HZ3 TRP 61 -17.204 5.906 -10.467 10 HH2 TRP 61 HH2 TRP 61 -16.730 7.297 -12.458 No H/Q in entry = 10 In of MODEL 8 1 H SER 62 H SER 62 -14.548 6.284 -5.334 2 HA SER 62 HA SER 62 -15.582 5.470 -2.925 3 HB2 SER 62 HB2 SER 62 -13.055 4.865 -4.449 4 HB3 SER 62 HB3 SER 62 -13.311 4.098 -2.877 5 HG SER 62 HG SER 62 -15.045 3.034 -3.682 No H/Q in entry = 5 In of MODEL 8 1 H PHE 63 H PHE 63 -14.787 5.426 -0.794 2 HA PHE 63 HA PHE 63 -13.124 7.600 0.070 3 HB2 PHE 63 HB2 PHE 63 -14.073 5.137 1.581 4 HB3 PHE 63 HB3 PHE 63 -13.293 6.530 2.311 5 HD1 PHE 63 HD1 PHE 63 -14.628 8.115 3.316 6 HD2 PHE 63 HD2 PHE 63 -16.292 5.701 0.224 7 HE1 PHE 63 HE1 PHE 63 -16.847 9.117 3.733 8 HE2 PHE 63 HE2 PHE 63 -18.512 6.702 0.633 9 HZ PHE 63 HZ PHE 63 -18.780 8.409 2.383 No H/Q in entry = 9 In of MODEL 8 1 H TYR 64 H TYR 64 -11.145 7.071 1.470 2 HA TYR 64 HA TYR 64 -9.588 5.010 0.063 3 HB2 TYR 64 HB2 TYR 64 -8.212 7.524 0.867 4 HB3 TYR 64 HB3 TYR 64 -7.913 6.476 -0.514 5 HD1 TYR 64 HD1 TYR 64 -9.333 6.697 -2.556 6 HD2 TYR 64 HD2 TYR 64 -9.651 9.399 0.716 7 HE1 TYR 64 HE1 TYR 64 -10.523 8.294 -3.998 8 HE2 TYR 64 HE2 TYR 64 -10.838 11.005 -0.709 9 HH TYR 64 HH TYR 64 -11.007 11.532 -3.131 No H/Q in entry = 9 In of MODEL 8 1 H LEU 65 H LEU 65 -8.022 3.966 1.282 2 HA LEU 65 HA LEU 65 -7.523 5.027 3.961 3 HB2 LEU 65 HB2 LEU 65 -8.992 3.291 4.486 4 HB3 LEU 65 HB3 LEU 65 -8.371 2.228 3.245 5 HG LEU 65 HG LEU 65 -6.455 2.888 5.396 6 HD11 LEU 65 HD11 LEU 65 -8.627 2.757 6.584 7 HD12 LEU 65 HD12 LEU 65 -8.841 1.134 5.927 8 HD13 LEU 65 HD13 LEU 65 -7.501 1.477 7.022 9 HD21 LEU 65 HD21 LEU 65 -5.995 1.270 3.614 10 HD22 LEU 65 HD22 LEU 65 -6.015 0.501 5.201 11 HD23 LEU 65 HD23 LEU 65 -7.395 0.325 4.117 No H/Q in entry = 11 In of MODEL 8 1 H LEU 66 H LEU 66 -5.415 5.110 4.505 2 HA LEU 66 HA LEU 66 -3.577 4.316 2.346 3 HB2 LEU 66 HB2 LEU 66 -4.156 6.835 3.142 4 HB3 LEU 66 HB3 LEU 66 -2.835 6.479 4.212 5 HG LEU 66 HG LEU 66 -2.664 6.336 1.212 6 HD11 LEU 66 HD11 LEU 66 -1.733 8.457 3.142 7 HD12 LEU 66 HD12 LEU 66 -1.284 8.385 1.441 8 HD13 LEU 66 HD13 LEU 66 -2.969 8.628 1.899 9 HD21 LEU 66 HD21 LEU 66 -0.512 6.151 3.314 10 HD22 LEU 66 HD22 LEU 66 -1.073 4.841 2.275 11 HD23 LEU 66 HD23 LEU 66 -0.234 6.229 1.572 No H/Q in entry = 11 In of MODEL 8 1 H TYR 67 H TYR 67 -1.842 3.135 2.859 2 HA TYR 67 HA TYR 67 -1.025 2.963 5.675 3 HB2 TYR 67 HB2 TYR 67 -1.703 0.765 3.806 4 HB3 TYR 67 HB3 TYR 67 -0.298 0.528 4.837 5 HD1 TYR 67 HD1 TYR 67 -3.917 0.535 4.683 6 HD2 TYR 67 HD2 TYR 67 -0.572 0.625 7.319 7 HE1 TYR 67 HE1 TYR 67 -5.337 -0.238 6.506 8 HE2 TYR 67 HE2 TYR 67 -2.005 -0.132 9.170 9 HH TYR 67 HH TYR 67 -5.025 -1.447 8.734 No H/Q in entry = 9 In of MODEL 8 1 H TYR 68 H TYR 68 0.966 3.708 5.910 2 HA TYR 68 HA TYR 68 2.870 3.287 3.707 3 HB2 TYR 68 HB2 TYR 68 3.667 5.616 3.875 4 HB3 TYR 68 HB3 TYR 68 1.970 5.545 3.384 5 HD1 TYR 68 HD1 TYR 68 0.226 6.368 4.856 6 HD2 TYR 68 HD2 TYR 68 4.307 6.489 6.048 7 HE1 TYR 68 HE1 TYR 68 -0.355 7.941 6.651 8 HE2 TYR 68 HE2 TYR 68 3.737 8.050 7.859 9 HH TYR 68 HH TYR 68 0.637 8.580 8.932 No H/Q in entry = 9 In of MODEL 8 1 H THR 69 H THR 69 5.123 3.753 4.318 2 HA THR 69 HA THR 69 5.730 3.924 7.148 3 HB THR 69 HB THR 69 5.319 1.481 6.757 4 HG1 THR 69 HG1 THR 69 6.691 2.022 8.432 5 HG21 THR 69 HG21 THR 69 7.701 1.772 4.925 6 HG22 THR 69 HG22 THR 69 7.133 0.228 5.562 7 HG23 THR 69 HG23 THR 69 6.088 1.183 4.508 No H/Q in entry = 7 In of MODEL 8 1 H GLU 70 H GLU 70 7.878 4.518 7.547 2 HA GLU 70 HA GLU 70 9.295 5.729 5.368 3 HB2 GLU 70 HB2 GLU 70 10.621 5.506 7.986 4 HB3 GLU 70 HB3 GLU 70 10.256 6.955 7.067 5 HG2 GLU 70 HG2 GLU 70 8.040 7.011 7.911 6 HG3 GLU 70 HG3 GLU 70 8.240 5.435 8.671 No H/Q in entry = 6 In of MODEL 8 1 H PHE 71 H PHE 71 11.012 4.844 4.340 2 HA PHE 71 HA PHE 71 12.278 2.490 5.470 3 HB2 PHE 71 HB2 PHE 71 11.845 1.057 3.556 4 HB3 PHE 71 HB3 PHE 71 10.321 1.599 4.242 5 HD1 PHE 71 HD1 PHE 71 10.742 0.423 1.505 6 HD2 PHE 71 HD2 PHE 71 10.687 4.448 2.861 7 HE1 PHE 71 HE1 PHE 71 10.002 1.146 -0.723 8 HE2 PHE 71 HE2 PHE 71 9.967 5.194 0.627 9 HZ PHE 71 HZ PHE 71 9.634 3.543 -1.181 No H/Q in entry = 9 In of MODEL 8 1 H THR 72 H THR 72 14.212 1.826 4.340 2 HA THR 72 HA THR 72 15.230 3.813 2.423 3 HB THR 72 HB THR 72 16.822 2.048 4.294 4 HG1 THR 72 HG1 THR 72 16.260 3.625 5.617 5 HG21 THR 72 HG21 THR 72 17.713 4.227 2.397 6 HG22 THR 72 HG22 THR 72 18.750 3.389 3.553 7 HG23 THR 72 HG23 THR 72 18.027 2.500 2.212 No H/Q in entry = 7 In of MODEL 8 1 HA PRO 73 HA PRO 73 14.413 0.025 -0.159 2 HB2 PRO 73 HB2 PRO 73 14.996 1.615 -2.425 3 HB3 PRO 73 HB3 PRO 73 13.381 1.201 -1.815 4 HG2 PRO 73 HG2 PRO 73 15.009 3.664 -1.389 5 HG3 PRO 73 HG3 PRO 73 13.252 3.505 -1.557 6 HD2 PRO 73 HD2 PRO 73 14.344 3.940 0.823 7 HD3 PRO 73 HD3 PRO 73 12.982 2.801 0.650 No H/Q in entry = 7 In of MODEL 8 1 H THR 74 H THR 74 15.809 -1.343 -1.037 2 HA THR 74 HA THR 74 18.475 -0.404 -1.778 3 HB THR 74 HB THR 74 19.564 -2.279 -0.750 4 HG1 THR 74 HG1 THR 74 16.923 -3.149 -0.058 5 HG21 THR 74 HG21 THR 74 19.135 -0.390 0.749 6 HG22 THR 74 HG22 THR 74 17.595 -1.113 1.214 7 HG23 THR 74 HG23 THR 74 19.108 -1.921 1.627 No H/Q in entry = 7 In of MODEL 8 1 H GLU 75 H GLU 75 19.568 -1.893 -3.248 2 HA GLU 75 HA GLU 75 17.987 -2.820 -5.389 3 HB2 GLU 75 HB2 GLU 75 20.534 -2.187 -5.135 4 HB3 GLU 75 HB3 GLU 75 20.718 -3.901 -4.818 5 HG2 GLU 75 HG2 GLU 75 19.469 -2.766 -7.289 6 HG3 GLU 75 HG3 GLU 75 21.155 -3.234 -7.136 No H/Q in entry = 6 In of MODEL 8 1 H LYS 76 H LYS 76 19.326 -4.376 -2.590 2 HA LYS 76 HA LYS 76 19.000 -7.035 -3.580 3 HB2 LYS 76 HB2 LYS 76 19.918 -6.027 -0.900 4 HB3 LYS 76 HB3 LYS 76 20.075 -7.678 -1.482 5 HG2 LYS 76 HG2 LYS 76 22.021 -7.172 -2.429 6 HG3 LYS 76 HG3 LYS 76 21.236 -5.926 -3.403 7 HD2 LYS 76 HD2 LYS 76 21.458 -4.363 -1.487 8 HD3 LYS 76 HD3 LYS 76 22.360 -5.607 -0.621 9 HE2 LYS 76 HE2 LYS 76 24.036 -5.605 -2.424 10 HE3 LYS 76 HE3 LYS 76 23.136 -4.323 -3.238 11 HZ1 LYS 76 HZ1 LYS 76 23.436 -3.028 -1.098 12 HZ2 LYS 76 HZ2 LYS 76 24.588 -4.187 -0.661 13 HZ3 LYS 76 HZ3 LYS 76 24.819 -3.245 -2.053 No H/Q in entry = 13 In of MODEL 8 1 H ASP 77 H ASP 77 17.141 -4.865 -1.575 2 HA ASP 77 HA ASP 77 15.566 -7.180 -0.647 3 HB2 ASP 77 HB2 ASP 77 15.250 -6.141 1.376 4 HB3 ASP 77 HB3 ASP 77 16.681 -5.235 0.912 No H/Q in entry = 4 In of MODEL 8 1 H GLU 78 H GLU 78 13.110 -6.158 -0.111 2 HA GLU 78 HA GLU 78 12.125 -4.627 -2.335 3 HB2 GLU 78 HB2 GLU 78 12.782 -6.745 -3.389 4 HB3 GLU 78 HB3 GLU 78 11.608 -7.577 -2.400 5 HG2 GLU 78 HG2 GLU 78 10.514 -7.324 -4.409 6 HG3 GLU 78 HG3 GLU 78 9.916 -5.941 -3.492 No H/Q in entry = 6 In of MODEL 8 1 H TYR 79 H TYR 79 10.655 -3.628 -1.241 2 HA TYR 79 HA TYR 79 9.042 -4.952 0.721 3 HB2 TYR 79 HB2 TYR 79 8.641 -2.072 -0.123 4 HB3 TYR 79 HB3 TYR 79 8.236 -2.843 1.413 5 HD1 TYR 79 HD1 TYR 79 9.446 -2.005 3.163 6 HD2 TYR 79 HD2 TYR 79 11.411 -2.510 -0.578 7 HE1 TYR 79 HE1 TYR 79 11.549 -1.193 4.159 8 HE2 TYR 79 HE2 TYR 79 13.522 -1.753 0.424 9 HH TYR 79 HH TYR 79 14.357 -0.526 2.242 No H/Q in entry = 9 In of MODEL 8 1 H ALA 80 H ALA 80 6.810 -5.007 0.776 2 HA ALA 80 HA ALA 80 5.514 -4.919 -1.890 3 HB1 ALA 80 HB1 ALA 80 6.352 -7.236 -1.275 4 HB2 ALA 80 HB2 ALA 80 4.653 -7.098 -1.732 5 HB3 ALA 80 HB3 ALA 80 5.102 -7.241 -0.033 No H/Q in entry = 5 In of MODEL 8 1 H CYS 81 H CYS 81 3.113 -5.056 -1.802 2 HA CYS 81 HA CYS 81 2.038 -4.050 0.753 3 HB2 CYS 81 HB2 CYS 81 1.515 -3.327 -2.086 4 HB3 CYS 81 HB3 CYS 81 0.119 -3.367 -1.013 No H/Q in entry = 4 In of MODEL 8 1 H ARG 82 H ARG 82 0.454 -5.261 1.704 2 HA ARG 82 HA ARG 82 -0.773 -7.449 0.132 3 HB2 ARG 82 HB2 ARG 82 0.780 -8.114 2.067 4 HB3 ARG 82 HB3 ARG 82 -0.433 -7.389 3.118 5 HG2 ARG 82 HG2 ARG 82 -2.109 -8.966 2.174 6 HG3 ARG 82 HG3 ARG 82 -0.785 -9.776 1.332 7 HD2 ARG 82 HD2 ARG 82 -0.828 -9.353 4.315 8 HD3 ARG 82 HD3 ARG 82 -1.470 -10.798 3.547 9 HE ARG 82 HE ARG 82 1.068 -10.618 2.589 10 HH11 ARG 82 HH11 ARG 82 -0.363 -10.692 5.782 11 HH12 ARG 82 HH12 ARG 82 1.004 -11.478 6.520 12 HH21 ARG 82 HH21 ARG 82 2.861 -11.704 3.550 13 HH22 ARG 82 HH22 ARG 82 2.827 -12.065 5.251 No H/Q in entry = 13 In of MODEL 8 1 H VAL 83 H VAL 83 -3.003 -7.463 0.107 2 HA VAL 83 HA VAL 83 -4.349 -5.897 2.207 3 HB VAL 83 HB VAL 83 -5.820 -4.784 0.844 4 HG11 VAL 83 HG11 VAL 83 -3.297 -4.941 -0.753 5 HG12 VAL 83 HG12 VAL 83 -4.535 -3.695 -0.904 6 HG13 VAL 83 HG13 VAL 83 -3.633 -3.866 0.603 7 HG21 VAL 83 HG21 VAL 83 -6.595 -6.681 -0.467 8 HG22 VAL 83 HG22 VAL 83 -6.275 -5.282 -1.494 9 HG23 VAL 83 HG23 VAL 83 -5.124 -6.615 -1.437 No H/Q in entry = 9 In of MODEL 8 1 H ASN 84 H ASN 84 -6.261 -6.620 2.908 2 HA ASN 84 HA ASN 84 -7.155 -9.237 1.937 3 HB2 ASN 84 HB2 ASN 84 -7.407 -8.199 4.775 4 HB3 ASN 84 HB3 ASN 84 -7.729 -9.831 4.216 5 HD21 ASN 84 HD21 ASN 84 -5.202 -7.474 4.801 6 HD22 ASN 84 HD22 ASN 84 -3.914 -8.617 4.986 No H/Q in entry = 6 In of MODEL 8 1 H HIS 85 H HIS 85 -9.201 -9.121 1.044 2 HA HIS 85 HA HIS 85 -11.194 -7.599 2.535 3 HB2 HIS 85 HB2 HIS 85 -10.286 -6.335 0.408 4 HB3 HIS 85 HB3 HIS 85 -11.253 -7.508 -0.465 5 HD2 HIS 85 HD2 HIS 85 -11.895 -4.713 2.265 6 HE1 HIS 85 HE1 HIS 85 -15.390 -5.387 -0.022 7 HE2 HIS 85 HE2 HIS 85 -14.373 -4.046 1.873 No H/Q in entry = 7 In of MODEL 8 1 H VAL 86 H VAL 86 -13.442 -8.312 1.806 2 HA VAL 86 HA VAL 86 -13.532 -11.129 1.907 3 HB VAL 86 HB VAL 86 -15.948 -10.925 1.744 4 HG11 VAL 86 HG11 VAL 86 -14.910 -10.455 3.891 5 HG12 VAL 86 HG12 VAL 86 -14.739 -8.755 3.453 6 HG13 VAL 86 HG13 VAL 86 -16.344 -9.454 3.662 7 HG21 VAL 86 HG21 VAL 86 -16.103 -9.237 -0.008 8 HG22 VAL 86 HG22 VAL 86 -17.038 -8.755 1.408 9 HG23 VAL 86 HG23 VAL 86 -15.470 -8.014 1.096 No H/Q in entry = 9 In of MODEL 8 1 H THR 87 H THR 87 -13.491 -8.865 -0.734 2 HA THR 87 HA THR 87 -14.625 -10.551 -2.692 3 HB THR 87 HB THR 87 -13.716 -8.981 -4.309 4 HG1 THR 87 HG1 THR 87 -11.672 -8.564 -3.525 5 HG21 THR 87 HG21 THR 87 -15.686 -8.291 -3.013 6 HG22 THR 87 HG22 THR 87 -14.619 -7.538 -1.824 7 HG23 THR 87 HG23 THR 87 -14.681 -6.915 -3.472 No H/Q in entry = 7 In of MODEL 8 1 H LEU 88 H LEU 88 -11.321 -9.942 -1.632 2 HA LEU 88 HA LEU 88 -10.202 -11.583 -3.708 3 HB2 LEU 88 HB2 LEU 88 -8.923 -10.260 -1.300 4 HB3 LEU 88 HB3 LEU 88 -8.040 -11.113 -2.549 5 HG LEU 88 HG LEU 88 -9.561 -8.523 -2.827 6 HD11 LEU 88 HD11 LEU 88 -7.226 -8.501 -1.862 7 HD12 LEU 88 HD12 LEU 88 -6.665 -9.119 -3.424 8 HD13 LEU 88 HD13 LEU 88 -7.455 -7.538 -3.336 9 HD21 LEU 88 HD21 LEU 88 -8.296 -10.220 -4.974 10 HD22 LEU 88 HD22 LEU 88 -10.014 -9.862 -4.787 11 HD23 LEU 88 HD23 LEU 88 -8.880 -8.572 -5.195 No H/Q in entry = 11 In of MODEL 8 1 H SER 89 H SER 89 -10.791 -13.684 -3.433 2 HA SER 89 HA SER 89 -11.078 -14.968 -0.936 3 HB2 SER 89 HB2 SER 89 -10.959 -17.079 -2.442 4 HB3 SER 89 HB3 SER 89 -12.281 -15.943 -2.687 5 HG SER 89 HG SER 89 -10.141 -16.565 -4.343 No H/Q in entry = 5 In of MODEL 8 1 H GLN 90 H GLN 90 -8.385 -13.923 -2.506 2 HA GLN 90 HA GLN 90 -6.695 -15.290 -0.579 3 HB2 GLN 90 HB2 GLN 90 -5.614 -14.651 -3.305 4 HB3 GLN 90 HB3 GLN 90 -4.979 -15.764 -2.111 5 HG2 GLN 90 HG2 GLN 90 -6.413 -17.458 -2.726 6 HG3 GLN 90 HG3 GLN 90 -7.576 -16.347 -3.463 7 HE21 GLN 90 HE21 GLN 90 -7.614 -17.466 -5.396 8 HE22 GLN 90 HE22 GLN 90 -6.286 -17.452 -6.506 No H/Q in entry = 8 In of MODEL 8 1 HA PRO 91 HA PRO 91 -5.999 -10.762 0.056 2 HB2 PRO 91 HB2 PRO 91 -3.592 -12.094 1.286 3 HB3 PRO 91 HB3 PRO 91 -4.503 -10.676 1.847 4 HG2 PRO 91 HG2 PRO 91 -4.961 -12.989 2.991 5 HG3 PRO 91 HG3 PRO 91 -6.338 -11.958 2.506 6 HD2 PRO 91 HD2 PRO 91 -5.239 -14.444 1.183 7 HD3 PRO 91 HD3 PRO 91 -6.947 -13.930 1.363 No H/Q in entry = 7 In of MODEL 8 1 H LYS 92 H LYS 92 -4.362 -9.301 -0.755 2 HA LYS 92 HA LYS 92 -3.141 -10.537 -3.130 3 HB2 LYS 92 HB2 LYS 92 -5.139 -9.020 -3.443 4 HB3 LYS 92 HB3 LYS 92 -4.094 -7.703 -2.911 5 HG2 LYS 92 HG2 LYS 92 -4.134 -7.873 -5.340 6 HG3 LYS 92 HG3 LYS 92 -2.524 -8.238 -4.683 7 HD2 LYS 92 HD2 LYS 92 -2.571 -10.294 -5.505 8 HD3 LYS 92 HD3 LYS 92 -4.131 -10.603 -4.750 9 HE2 LYS 92 HE2 LYS 92 -5.287 -9.537 -6.592 10 HE3 LYS 92 HE3 LYS 92 -3.743 -9.199 -7.386 11 HZ1 LYS 92 HZ1 LYS 92 -4.732 -11.928 -6.743 12 HZ2 LYS 92 HZ2 LYS 92 -4.890 -11.187 -8.260 13 HZ3 LYS 92 HZ3 LYS 92 -3.351 -11.536 -7.645 No H/Q in entry = 13 In of MODEL 8 1 H ILE 93 H ILE 93 -1.000 -10.333 -3.313 2 HA ILE 93 HA ILE 93 0.281 -8.110 -1.881 3 HB ILE 93 HB ILE 93 1.474 -10.750 -2.723 4 HG12 ILE 93 HG12 ILE 93 1.984 -10.791 -0.174 5 HG13 ILE 93 HG13 ILE 93 0.718 -9.582 -0.059 6 HG21 ILE 93 HG21 ILE 93 3.070 -8.935 -3.054 7 HG22 ILE 93 HG22 ILE 93 2.830 -8.422 -1.380 8 HG23 ILE 93 HG23 ILE 93 3.560 -9.992 -1.726 9 HD11 ILE 93 HD11 ILE 93 0.410 -12.354 -1.179 10 HD12 ILE 93 HD12 ILE 93 -0.116 -11.810 0.414 11 HD13 ILE 93 HD13 ILE 93 -0.866 -11.145 -1.037 No H/Q in entry = 11 In of MODEL 8 1 H VAL 94 H VAL 94 1.229 -6.622 -3.030 2 HA VAL 94 HA VAL 94 2.178 -7.258 -5.733 3 HB VAL 94 HB VAL 94 0.845 -4.671 -4.876 4 HG11 VAL 94 HG11 VAL 94 2.721 -4.233 -6.373 5 HG12 VAL 94 HG12 VAL 94 2.090 -5.410 -7.524 6 HG13 VAL 94 HG13 VAL 94 1.185 -3.933 -7.188 7 HG21 VAL 94 HG21 VAL 94 -0.739 -6.471 -5.331 8 HG22 VAL 94 HG22 VAL 94 -0.824 -5.222 -6.575 9 HG23 VAL 94 HG23 VAL 94 0.010 -6.741 -6.906 No H/Q in entry = 9 In of MODEL 8 1 H LYS 95 H LYS 95 4.223 -6.714 -6.053 2 HA LYS 95 HA LYS 95 5.755 -5.859 -3.761 3 HB2 LYS 95 HB2 LYS 95 7.583 -6.680 -4.846 4 HB3 LYS 95 HB3 LYS 95 6.368 -7.497 -5.814 5 HG2 LYS 95 HG2 LYS 95 6.533 -5.770 -7.515 6 HG3 LYS 95 HG3 LYS 95 7.708 -4.898 -6.528 7 HD2 LYS 95 HD2 LYS 95 8.768 -7.414 -6.637 8 HD3 LYS 95 HD3 LYS 95 8.055 -7.241 -8.236 9 HE2 LYS 95 HE2 LYS 95 10.507 -6.214 -7.278 10 HE3 LYS 95 HE3 LYS 95 9.797 -6.017 -8.880 11 HZ1 LYS 95 HZ1 LYS 95 8.487 -4.128 -7.698 12 HZ2 LYS 95 HZ2 LYS 95 9.752 -4.192 -6.565 13 HZ3 LYS 95 HZ3 LYS 95 10.078 -3.857 -8.202 No H/Q in entry = 13 In of MODEL 8 1 H TRP 96 H TRP 96 7.052 -3.922 -3.657 2 HA TRP 96 HA TRP 96 5.734 -1.686 -4.885 3 HB2 TRP 96 HB2 TRP 96 6.547 -1.486 -2.576 4 HB3 TRP 96 HB3 TRP 96 8.193 -1.867 -3.085 5 HD1 TRP 96 HD1 TRP 96 5.530 0.843 -3.838 6 HE1 TRP 96 HE1 TRP 96 6.737 3.053 -4.236 7 HE3 TRP 96 HE3 TRP 96 10.330 -0.810 -3.359 8 HZ2 TRP 96 HZ2 TRP 96 9.415 4.003 -4.285 9 HZ3 TRP 96 HZ3 TRP 96 12.170 0.801 -3.601 10 HH2 TRP 96 HH2 TRP 96 11.712 3.174 -4.065 No H/Q in entry = 10 In of MODEL 8 1 H ASP 97 H ASP 97 6.270 -0.891 -6.830 2 HA ASP 97 HA ASP 97 9.051 -1.267 -7.701 3 HB2 ASP 97 HB2 ASP 97 8.376 -1.584 -9.957 4 HB3 ASP 97 HB3 ASP 97 7.364 -2.646 -8.987 No H/Q in entry = 4 In of MODEL 8 1 H ARG 98 H ARG 98 10.109 0.408 -8.435 2 HA ARG 98 HA ARG 98 8.775 3.012 -8.422 3 HB2 ARG 98 HB2 ARG 98 10.930 3.977 -8.202 4 HB3 ARG 98 HB3 ARG 98 10.957 2.567 -7.169 5 HG2 ARG 98 HG2 ARG 98 12.895 2.090 -8.139 6 HG3 ARG 98 HG3 ARG 98 11.927 1.570 -9.520 7 HD2 ARG 98 HD2 ARG 98 13.741 3.110 -10.170 8 HD3 ARG 98 HD3 ARG 98 12.140 3.759 -10.539 9 HE ARG 98 HE ARG 98 13.500 4.565 -8.062 10 HH11 ARG 98 HH11 ARG 98 12.283 5.381 -11.241 11 HH12 ARG 98 HH12 ARG 98 12.360 7.094 -10.964 12 HH21 ARG 98 HH21 ARG 98 13.623 6.821 -7.707 13 HH22 ARG 98 HH22 ARG 98 13.128 7.908 -8.974 No H/Q in entry = 13 In of MODEL 8 1 H ASP 99 H ASP 99 10.175 0.621 -10.358 2 HA ASP 99 HA ASP 99 8.922 1.429 -12.734 3 HB2 ASP 99 HB2 ASP 99 10.706 3.120 -12.825 4 HB3 ASP 99 HB3 ASP 99 11.922 1.865 -12.619 No H/Q in entry = 4 In of MODEL 8 1 H MET 100 H MET 100 10.599 -0.596 -10.745 2 HA MET 100 HA MET 100 10.762 -2.729 -12.725 3 HB2 MET 100 HB2 MET 100 13.004 -3.397 -11.497 4 HB3 MET 100 HB3 MET 100 13.051 -2.038 -12.631 5 HG2 MET 100 HG2 MET 100 12.724 -0.525 -10.647 6 HG3 MET 100 HG3 MET 100 12.967 -1.946 -9.632 7 HE1 MET 100 HE1 MET 100 14.944 -0.702 -8.378 8 HE2 MET 100 HE2 MET 100 16.321 0.028 -9.201 9 HE3 MET 100 HE3 MET 100 14.708 0.714 -9.401 No H/Q in entry = 9 In of MODEL 9 1 HA ILE 2 HA ILE 2 -22.827 -6.024 -4.733 2 HB ILE 2 HB ILE 2 -23.808 -5.294 -2.494 3 HG12 ILE 2 HG12 ILE 2 -23.957 -8.296 -2.088 4 HG13 ILE 2 HG13 ILE 2 -23.036 -7.164 -1.100 5 HG21 ILE 2 HG21 ILE 2 -25.254 -7.348 -4.157 6 HG22 ILE 2 HG22 ILE 2 -26.027 -6.228 -3.035 7 HG23 ILE 2 HG23 ILE 2 -25.175 -5.610 -4.452 8 HD11 ILE 2 HD11 ILE 2 -25.129 -6.102 -0.399 9 HD12 ILE 2 HD12 ILE 2 -26.032 -7.278 -1.354 10 HD13 ILE 2 HD13 ILE 2 -25.068 -7.814 0.022 No H/Q in entry = 10 In of MODEL 9 1 H GLN 3 H GLN 3 -20.346 -6.549 -4.748 2 HA GLN 3 HA GLN 3 -19.156 -4.814 -2.794 3 HB2 GLN 3 HB2 GLN 3 -19.289 -7.349 -1.916 4 HB3 GLN 3 HB3 GLN 3 -17.837 -7.495 -2.892 5 HG2 GLN 3 HG2 GLN 3 -17.021 -7.018 -0.784 6 HG3 GLN 3 HG3 GLN 3 -16.998 -5.450 -1.587 7 HE21 GLN 3 HE21 GLN 3 -18.457 -3.861 -0.923 8 HE22 GLN 3 HE22 GLN 3 -19.341 -3.981 0.555 No H/Q in entry = 8 In of MODEL 9 1 H ARG 4 H ARG 4 -16.895 -4.259 -3.470 2 HA ARG 4 HA ARG 4 -16.405 -5.054 -6.255 3 HB2 ARG 4 HB2 ARG 4 -17.030 -2.803 -6.402 4 HB3 ARG 4 HB3 ARG 4 -16.128 -2.372 -4.950 5 HG2 ARG 4 HG2 ARG 4 -14.384 -1.773 -6.255 6 HG3 ARG 4 HG3 ARG 4 -14.225 -3.456 -6.654 7 HD2 ARG 4 HD2 ARG 4 -15.991 -1.593 -8.235 8 HD3 ARG 4 HD3 ARG 4 -14.339 -2.034 -8.672 9 HE ARG 4 HE ARG 4 -15.570 -4.435 -8.363 10 HH11 ARG 4 HH11 ARG 4 -16.341 -1.573 -10.217 11 HH12 ARG 4 HH12 ARG 4 -17.148 -2.451 -11.478 12 HH21 ARG 4 HH21 ARG 4 -16.601 -5.602 -10.029 13 HH22 ARG 4 HH22 ARG 4 -17.275 -4.749 -11.386 No H/Q in entry = 13 In of MODEL 9 1 H THR 5 H THR 5 -14.354 -5.502 -6.882 2 HA THR 5 HA THR 5 -12.495 -6.243 -4.930 3 HB THR 5 HB THR 5 -11.008 -6.829 -6.735 4 HG1 THR 5 HG1 THR 5 -11.509 -4.844 -7.974 5 HG21 THR 5 HG21 THR 5 -13.909 -7.415 -7.250 6 HG22 THR 5 HG22 THR 5 -12.625 -8.103 -8.239 7 HG23 THR 5 HG23 THR 5 -12.686 -8.454 -6.517 No H/Q in entry = 7 In of MODEL 9 1 HA PRO 6 HA PRO 6 -10.474 -2.241 -4.495 2 HB2 PRO 6 HB2 PRO 6 -8.909 -3.504 -2.404 3 HB3 PRO 6 HB3 PRO 6 -10.121 -2.232 -2.249 4 HG2 PRO 6 HG2 PRO 6 -10.459 -4.797 -1.309 5 HG3 PRO 6 HG3 PRO 6 -11.802 -3.712 -1.749 6 HD2 PRO 6 HD2 PRO 6 -10.582 -5.978 -3.296 7 HD3 PRO 6 HD3 PRO 6 -12.282 -5.451 -3.186 No H/Q in entry = 7 In of MODEL 9 1 H LYS 7 H LYS 7 -8.755 -1.701 -5.716 2 HA LYS 7 HA LYS 7 -7.034 -3.893 -6.617 3 HB2 LYS 7 HB2 LYS 7 -8.305 -2.530 -8.300 4 HB3 LYS 7 HB3 LYS 7 -7.382 -1.121 -7.803 5 HG2 LYS 7 HG2 LYS 7 -5.312 -2.321 -8.492 6 HG3 LYS 7 HG3 LYS 7 -6.334 -3.607 -9.130 7 HD2 LYS 7 HD2 LYS 7 -6.470 -0.722 -10.005 8 HD3 LYS 7 HD3 LYS 7 -5.564 -1.976 -10.847 9 HE2 LYS 7 HE2 LYS 7 -7.597 -1.800 -12.011 10 HE3 LYS 7 HE3 LYS 7 -7.763 -3.242 -11.013 11 HZ1 LYS 7 HZ1 LYS 7 -8.844 -0.563 -10.306 12 HZ2 LYS 7 HZ2 LYS 7 -9.751 -1.826 -10.992 13 HZ3 LYS 7 HZ3 LYS 7 -9.081 -2.005 -9.448 No H/Q in entry = 13 In of MODEL 9 1 H ILE 8 H ILE 8 -4.752 -3.517 -6.858 2 HA ILE 8 HA ILE 8 -3.790 -2.052 -4.514 3 HB ILE 8 HB ILE 8 -2.072 -3.876 -6.157 4 HG12 ILE 8 HG12 ILE 8 -4.051 -5.200 -5.779 5 HG13 ILE 8 HG13 ILE 8 -2.802 -5.749 -4.676 6 HG21 ILE 8 HG21 ILE 8 -1.033 -2.554 -4.399 7 HG22 ILE 8 HG22 ILE 8 -2.171 -3.208 -3.218 8 HG23 ILE 8 HG23 ILE 8 -0.997 -4.271 -3.995 9 HD11 ILE 8 HD11 ILE 8 -5.090 -3.931 -3.985 10 HD12 ILE 8 HD12 ILE 8 -4.954 -5.646 -3.584 11 HD13 ILE 8 HD13 ILE 8 -3.832 -4.483 -2.876 No H/Q in entry = 11 In of MODEL 9 1 H GLN 9 H GLN 9 -2.976 -0.110 -4.811 2 HA GLN 9 HA GLN 9 -1.199 0.282 -7.116 3 HB2 GLN 9 HB2 GLN 9 -3.122 2.225 -5.848 4 HB3 GLN 9 HB3 GLN 9 -1.811 2.743 -6.918 5 HG2 GLN 9 HG2 GLN 9 -2.775 1.345 -8.698 6 HG3 GLN 9 HG3 GLN 9 -4.094 0.902 -7.615 7 HE21 GLN 9 HE21 GLN 9 -2.643 4.079 -7.748 8 HE22 GLN 9 HE22 GLN 9 -4.024 4.891 -8.412 No H/Q in entry = 8 In of MODEL 9 1 H VAL 10 H VAL 10 0.829 0.531 -6.502 2 HA VAL 10 HA VAL 10 1.423 1.834 -3.957 3 HB VAL 10 HB VAL 10 1.522 -0.392 -3.199 4 HG11 VAL 10 HG11 VAL 10 1.339 -1.443 -5.429 5 HG12 VAL 10 HG12 VAL 10 3.072 -1.195 -5.650 6 HG13 VAL 10 HG13 VAL 10 2.486 -2.247 -4.357 7 HG21 VAL 10 HG21 VAL 10 4.307 0.392 -4.053 8 HG22 VAL 10 HG22 VAL 10 3.506 0.781 -2.530 9 HG23 VAL 10 HG23 VAL 10 3.939 -0.890 -2.897 No H/Q in entry = 9 In of MODEL 9 1 H TYR 11 H TYR 11 3.018 3.221 -4.112 2 HA TYR 11 HA TYR 11 5.120 2.992 -6.047 3 HB2 TYR 11 HB2 TYR 11 4.621 5.014 -7.293 4 HB3 TYR 11 HB3 TYR 11 3.247 3.925 -7.407 5 HD1 TYR 11 HD1 TYR 11 1.114 4.506 -6.371 6 HD2 TYR 11 HD2 TYR 11 4.472 7.095 -6.052 7 HE1 TYR 11 HE1 TYR 11 -0.362 6.322 -5.617 8 HE2 TYR 11 HE2 TYR 11 3.007 8.915 -5.300 9 HH TYR 11 HH TYR 11 0.731 9.589 -5.362 No H/Q in entry = 9 In of MODEL 9 1 H SER 12 H SER 12 6.592 4.930 -5.894 2 HA SER 12 HA SER 12 7.042 5.520 -3.114 3 HB2 SER 12 HB2 SER 12 8.968 6.885 -4.501 4 HB3 SER 12 HB3 SER 12 9.085 5.147 -4.179 5 HG SER 12 HG SER 12 8.373 6.504 -6.533 No H/Q in entry = 5 In of MODEL 9 1 H ARG 13 H ARG 13 6.696 7.417 -2.056 2 HA ARG 13 HA ARG 13 4.901 9.330 -3.106 3 HB2 ARG 13 HB2 ARG 13 5.404 8.801 -0.643 4 HB3 ARG 13 HB3 ARG 13 6.850 9.765 -0.826 5 HG2 ARG 13 HG2 ARG 13 4.115 10.930 -1.290 6 HG3 ARG 13 HG3 ARG 13 4.866 10.850 0.296 7 HD2 ARG 13 HD2 ARG 13 5.980 12.247 -2.126 8 HD3 ARG 13 HD3 ARG 13 5.243 13.014 -0.722 9 HE ARG 13 HE ARG 13 7.882 11.773 -0.852 10 HH11 ARG 13 HH11 ARG 13 5.409 13.285 1.108 11 HH12 ARG 13 HH12 ARG 13 6.523 13.806 2.336 12 HH21 ARG 13 HH21 ARG 13 9.353 12.425 0.767 13 HH22 ARG 13 HH22 ARG 13 8.771 13.333 2.135 No H/Q in entry = 13 In of MODEL 9 1 H HIS 14 H HIS 14 8.385 9.471 -2.654 2 HA HIS 14 HA HIS 14 8.516 11.554 -4.709 3 HB2 HIS 14 HB2 HIS 14 9.964 11.378 -2.088 4 HB3 HIS 14 HB3 HIS 14 10.803 12.099 -3.457 5 HD2 HIS 14 HD2 HIS 14 7.414 13.297 -4.077 6 HE1 HIS 14 HE1 HIS 14 8.943 15.965 -1.169 7 HE2 HIS 14 HE2 HIS 14 7.029 15.502 -2.768 No H/Q in entry = 7 In of MODEL 9 1 HA PRO 15 HA PRO 15 11.443 9.046 -6.982 2 HB2 PRO 15 HB2 PRO 15 13.943 10.270 -6.715 3 HB3 PRO 15 HB3 PRO 15 12.745 10.609 -7.978 4 HG2 PRO 15 HG2 PRO 15 13.331 12.141 -5.454 5 HG3 PRO 15 HG3 PRO 15 12.814 12.738 -7.065 6 HD2 PRO 15 HD2 PRO 15 11.095 12.565 -4.973 7 HD3 PRO 15 HD3 PRO 15 10.571 12.268 -6.657 No H/Q in entry = 7 In of MODEL 9 1 H ALA 16 H ALA 16 12.168 7.148 -6.376 2 HA ALA 16 HA ALA 16 12.977 6.540 -3.750 3 HB1 ALA 16 HB1 ALA 16 11.789 4.968 -5.236 4 HB2 ALA 16 HB2 ALA 16 13.233 4.870 -6.242 5 HB3 ALA 16 HB3 ALA 16 13.278 4.287 -4.580 No H/Q in entry = 5 In of MODEL 9 1 H GLU 17 H GLU 17 14.968 6.304 -2.905 2 HA GLU 17 HA GLU 17 17.263 6.265 -4.713 3 HB2 GLU 17 HB2 GLU 17 16.856 8.584 -3.846 4 HB3 GLU 17 HB3 GLU 17 17.129 7.959 -2.223 5 HG2 GLU 17 HG2 GLU 17 19.126 9.033 -3.107 6 HG3 GLU 17 HG3 GLU 17 19.384 7.308 -2.834 No H/Q in entry = 6 In of MODEL 9 1 H ASN 18 H ASN 18 18.696 4.771 -4.207 2 HA ASN 18 HA ASN 18 18.285 3.108 -1.889 3 HB2 ASN 18 HB2 ASN 18 18.843 1.819 -3.715 4 HB3 ASN 18 HB3 ASN 18 20.033 2.972 -4.320 5 HD21 ASN 18 HD21 ASN 18 21.634 1.477 -4.573 6 HD22 ASN 18 HD22 ASN 18 22.429 0.697 -3.243 No H/Q in entry = 6 In of MODEL 9 1 H GLY 19 H GLY 19 19.202 3.271 -0.041 2 HA2 GLY 19 HA2 GLY 19 21.779 4.629 0.291 3 HA3 GLY 19 HA3 GLY 19 20.918 3.695 1.524 No H/Q in entry = 3 In of MODEL 9 1 H LYS 20 H LYS 20 18.477 5.250 0.449 2 HA LYS 20 HA LYS 20 18.911 7.726 1.975 3 HB2 LYS 20 HB2 LYS 20 18.988 8.080 -0.472 4 HB3 LYS 20 HB3 LYS 20 17.403 7.343 -0.610 5 HG2 LYS 20 HG2 LYS 20 16.900 9.586 -0.690 6 HG3 LYS 20 HG3 LYS 20 16.620 9.183 1.003 7 HD2 LYS 20 HD2 LYS 20 18.805 10.099 1.591 8 HD3 LYS 20 HD3 LYS 20 19.110 10.480 -0.103 9 HE2 LYS 20 HE2 LYS 20 16.927 11.633 1.638 10 HE3 LYS 20 HE3 LYS 20 18.367 12.473 1.059 11 HZ1 LYS 20 HZ1 LYS 20 16.194 11.394 -0.668 12 HZ2 LYS 20 HZ2 LYS 20 16.415 13.026 -0.263 13 HZ3 LYS 20 HZ3 LYS 20 17.572 12.219 -1.207 No H/Q in entry = 13 In of MODEL 9 1 H SER 21 H SER 21 17.217 8.360 3.240 2 HA SER 21 HA SER 21 15.114 6.481 3.717 3 HB2 SER 21 HB2 SER 21 15.650 9.235 4.813 4 HB3 SER 21 HB3 SER 21 14.375 8.162 5.389 5 HG SER 21 HG SER 21 16.294 6.612 5.614 No H/Q in entry = 5 In of MODEL 9 1 H ASN 22 H ASN 22 13.054 6.621 3.114 2 HA ASN 22 HA ASN 22 12.183 8.830 1.387 3 HB2 ASN 22 HB2 ASN 22 13.444 6.882 0.115 4 HB3 ASN 22 HB3 ASN 22 11.967 5.977 0.419 5 HD21 ASN 22 HD21 ASN 22 10.363 6.162 -0.967 6 HD22 ASN 22 HD22 ASN 22 10.265 7.334 -2.228 No H/Q in entry = 6 In of MODEL 9 1 H PHE 23 H PHE 23 9.783 8.209 0.603 2 HA PHE 23 HA PHE 23 8.441 6.999 2.929 3 HB2 PHE 23 HB2 PHE 23 7.696 9.456 1.349 4 HB3 PHE 23 HB3 PHE 23 6.517 8.577 2.302 5 HD1 PHE 23 HD1 PHE 23 6.147 9.204 4.463 6 HD2 PHE 23 HD2 PHE 23 9.828 10.267 2.627 7 HE1 PHE 23 HE1 PHE 23 6.716 10.585 6.420 8 HE2 PHE 23 HE2 PHE 23 10.413 11.643 4.582 9 HZ PHE 23 HZ PHE 23 8.858 11.800 6.484 No H/Q in entry = 9 In of MODEL 9 1 H LEU 24 H LEU 24 7.212 5.316 2.411 2 HA LEU 24 HA LEU 24 6.670 4.668 -0.374 3 HB2 LEU 24 HB2 LEU 24 7.027 3.243 1.983 4 HB3 LEU 24 HB3 LEU 24 5.326 3.041 1.628 5 HG LEU 24 HG LEU 24 7.669 2.219 -0.109 6 HD11 LEU 24 HD11 LEU 24 5.541 0.645 1.343 7 HD12 LEU 24 HD12 LEU 24 6.745 -0.044 0.255 8 HD13 LEU 24 HD13 LEU 24 7.252 0.727 1.759 9 HD21 LEU 24 HD21 LEU 24 4.716 2.128 -0.713 10 HD22 LEU 24 HD22 LEU 24 5.985 2.942 -1.632 11 HD23 LEU 24 HD23 LEU 24 5.932 1.181 -1.573 No H/Q in entry = 11 In of MODEL 9 1 H ASN 25 H ASN 25 4.505 4.265 -1.127 2 HA ASN 25 HA ASN 25 2.331 5.199 0.587 3 HB2 ASN 25 HB2 ASN 25 3.066 6.413 -2.044 4 HB3 ASN 25 HB3 ASN 25 1.356 6.221 -1.684 5 HD21 ASN 25 HD21 ASN 25 2.782 8.665 -2.033 6 HD22 ASN 25 HD22 ASN 25 2.637 9.548 -0.554 No H/Q in entry = 6 In of MODEL 9 1 H CYS 26 H CYS 26 0.722 3.779 0.607 2 HA CYS 26 HA CYS 26 0.387 1.990 -1.703 3 HB2 CYS 26 HB2 CYS 26 1.367 0.997 0.487 4 HB3 CYS 26 HB3 CYS 26 -0.282 1.159 1.103 No H/Q in entry = 4 In of MODEL 9 1 H TYR 27 H TYR 27 -1.539 2.214 -2.615 2 HA TYR 27 HA TYR 27 -3.607 3.678 -1.104 3 HB2 TYR 27 HB2 TYR 27 -2.558 4.030 -3.882 4 HB3 TYR 27 HB3 TYR 27 -4.259 4.343 -3.591 5 HD1 TYR 27 HD1 TYR 27 -4.944 6.236 -2.151 6 HD2 TYR 27 HD2 TYR 27 -0.846 5.559 -3.108 7 HE1 TYR 27 HE1 TYR 27 -4.422 8.564 -1.564 8 HE2 TYR 27 HE2 TYR 27 -0.319 7.877 -2.506 9 HH TYR 27 HH TYR 27 -2.572 9.934 -0.900 No H/Q in entry = 9 In of MODEL 9 1 H VAL 28 H VAL 28 -4.994 2.066 -0.572 2 HA VAL 28 HA VAL 28 -5.956 0.380 -2.784 3 HB VAL 28 HB VAL 28 -6.602 -0.202 0.090 4 HG11 VAL 28 HG11 VAL 28 -6.265 -1.913 -2.363 5 HG12 VAL 28 HG12 VAL 28 -6.722 -2.501 -0.762 6 HG13 VAL 28 HG13 VAL 28 -7.795 -1.411 -1.644 7 HG21 VAL 28 HG21 VAL 28 -4.047 -0.935 -1.326 8 HG22 VAL 28 HG22 VAL 28 -4.220 -0.045 0.188 9 HG23 VAL 28 HG23 VAL 28 -4.640 -1.760 0.119 No H/Q in entry = 9 In of MODEL 9 1 H SER 29 H SER 29 -7.706 1.262 -3.675 2 HA SER 29 HA SER 29 -9.852 2.243 -1.960 3 HB2 SER 29 HB2 SER 29 -8.405 4.203 -2.464 4 HB3 SER 29 HB3 SER 29 -8.664 3.926 -4.185 5 HG SER 29 HG SER 29 -10.551 4.716 -2.215 No H/Q in entry = 5 In of MODEL 9 1 H GLY 30 H GLY 30 -11.707 3.068 -3.560 2 HA2 GLY 30 HA2 GLY 30 -11.888 1.408 -5.946 3 HA3 GLY 30 HA3 GLY 30 -13.019 2.660 -5.460 No H/Q in entry = 3 In of MODEL 9 1 H PHE 31 H PHE 31 -12.966 1.387 -2.675 2 HA PHE 31 HA PHE 31 -14.625 -0.946 -3.321 3 HB2 PHE 31 HB2 PHE 31 -13.662 -2.124 -1.407 4 HB3 PHE 31 HB3 PHE 31 -12.374 -1.595 -2.509 5 HD1 PHE 31 HD1 PHE 31 -13.878 -1.171 0.782 6 HD2 PHE 31 HD2 PHE 31 -10.890 0.242 -1.894 7 HE1 PHE 31 HE1 PHE 31 -12.787 0.015 2.635 8 HE2 PHE 31 HE2 PHE 31 -9.800 1.438 -0.044 9 HZ PHE 31 HZ PHE 31 -10.746 1.321 2.220 No H/Q in entry = 9 In of MODEL 9 1 H HIS 32 H HIS 32 -15.672 -1.756 -1.171 2 HA HIS 32 HA HIS 32 -16.359 0.222 0.784 3 HB2 HIS 32 HB2 HIS 32 -18.858 -0.314 0.524 4 HB3 HIS 32 HB3 HIS 32 -18.159 0.791 -0.646 5 HD2 HIS 32 HD2 HIS 32 -17.533 -0.601 -3.187 6 HE1 HIS 32 HE1 HIS 32 -20.865 -3.135 -2.589 7 HE2 HIS 32 HE2 HIS 32 -19.403 -1.999 -4.318 No H/Q in entry = 7 In of MODEL 9 1 HA PRO 33 HA PRO 33 -19.066 -0.658 2.223 2 HB2 PRO 33 HB2 PRO 33 -18.039 -0.988 4.981 3 HB3 PRO 33 HB3 PRO 33 -19.688 -1.139 4.364 4 HG2 PRO 33 HG2 PRO 33 -18.297 -3.299 5.045 5 HG3 PRO 33 HG3 PRO 33 -19.348 -3.309 3.616 6 HD2 PRO 33 HD2 PRO 33 -16.369 -3.018 3.774 7 HD3 PRO 33 HD3 PRO 33 -17.346 -3.987 2.650 No H/Q in entry = 7 In of MODEL 9 1 H SER 34 H SER 34 -16.258 -0.216 4.528 2 HA SER 34 HA SER 34 -15.730 2.350 3.355 3 HB2 SER 34 HB2 SER 34 -16.130 3.499 5.574 4 HB3 SER 34 HB3 SER 34 -17.607 2.947 4.779 5 HG SER 34 HG SER 34 -16.649 2.270 7.195 No H/Q in entry = 5 In of MODEL 9 1 H ASP 35 H ASP 35 -14.497 -0.302 4.056 2 HA ASP 35 HA ASP 35 -12.088 0.635 5.328 3 HB2 ASP 35 HB2 ASP 35 -12.154 -0.748 7.318 4 HB3 ASP 35 HB3 ASP 35 -13.624 0.225 7.296 No H/Q in entry = 4 In of MODEL 9 1 H ILE 36 H ILE 36 -10.351 -0.595 4.918 2 HA ILE 36 HA ILE 36 -10.619 -3.417 4.216 3 HB ILE 36 HB ILE 36 -10.478 -1.999 2.050 4 HG12 ILE 36 HG12 ILE 36 -8.694 -4.284 2.819 5 HG13 ILE 36 HG13 ILE 36 -10.088 -4.280 1.747 6 HG21 ILE 36 HG21 ILE 36 -7.654 -1.692 3.074 7 HG22 ILE 36 HG22 ILE 36 -8.166 -1.342 1.423 8 HG23 ILE 36 HG23 ILE 36 -8.804 -0.389 2.761 9 HD11 ILE 36 HD11 ILE 36 -7.422 -3.041 1.097 10 HD12 ILE 36 HD12 ILE 36 -7.938 -4.645 0.586 11 HD13 ILE 36 HD13 ILE 36 -8.799 -3.218 0.008 No H/Q in entry = 11 In of MODEL 9 1 H GLU 37 H GLU 37 -8.569 -4.576 4.601 2 HA GLU 37 HA GLU 37 -6.738 -3.027 6.283 3 HB2 GLU 37 HB2 GLU 37 -8.041 -5.019 7.259 4 HB3 GLU 37 HB3 GLU 37 -7.017 -6.017 6.238 5 HG2 GLU 37 HG2 GLU 37 -6.212 -5.859 8.571 6 HG3 GLU 37 HG3 GLU 37 -5.038 -5.270 7.394 No H/Q in entry = 6 In of MODEL 9 1 H VAL 38 H VAL 38 -4.817 -2.679 5.452 2 HA VAL 38 HA VAL 38 -3.732 -4.563 3.505 3 HB VAL 38 HB VAL 38 -3.995 -3.123 1.832 4 HG11 VAL 38 HG11 VAL 38 -4.621 -1.024 3.881 5 HG12 VAL 38 HG12 VAL 38 -4.766 -0.796 2.137 6 HG13 VAL 38 HG13 VAL 38 -5.755 -2.007 2.957 7 HG21 VAL 38 HG21 VAL 38 -1.627 -2.640 2.199 8 HG22 VAL 38 HG22 VAL 38 -2.465 -1.206 1.593 9 HG23 VAL 38 HG23 VAL 38 -2.053 -1.337 3.306 No H/Q in entry = 9 In of MODEL 9 1 H ASP 39 H ASP 39 -1.560 -4.814 3.519 2 HA ASP 39 HA ASP 39 -0.082 -3.483 5.677 3 HB2 ASP 39 HB2 ASP 39 0.023 -5.339 6.925 4 HB3 ASP 39 HB3 ASP 39 -1.070 -6.119 5.801 No H/Q in entry = 4 In of MODEL 9 1 H LEU 40 H LEU 40 2.127 -3.339 5.375 2 HA LEU 40 HA LEU 40 2.923 -3.636 2.572 3 HB2 LEU 40 HB2 LEU 40 4.351 -2.096 4.733 4 HB3 LEU 40 HB3 LEU 40 4.614 -1.992 3.005 5 HG LEU 40 HG LEU 40 2.184 -1.024 4.505 6 HD11 LEU 40 HD11 LEU 40 4.441 0.441 3.139 7 HD12 LEU 40 HD12 LEU 40 2.982 1.204 3.772 8 HD13 LEU 40 HD13 LEU 40 4.102 0.395 4.871 9 HD21 LEU 40 HD21 LEU 40 2.821 -0.953 1.566 10 HD22 LEU 40 HD22 LEU 40 1.472 -1.779 2.349 11 HD23 LEU 40 HD23 LEU 40 1.541 -0.013 2.338 No H/Q in entry = 11 In of MODEL 9 1 H LEU 41 H LEU 41 4.731 -4.809 1.995 2 HA LEU 41 HA LEU 41 5.830 -6.531 4.128 3 HB2 LEU 41 HB2 LEU 41 5.878 -7.311 1.272 4 HB3 LEU 41 HB3 LEU 41 5.945 -8.317 2.682 5 HG LEU 41 HG LEU 41 3.479 -6.870 1.846 6 HD11 LEU 41 HD11 LEU 41 4.365 -8.452 0.115 7 HD12 LEU 41 HD12 LEU 41 4.176 -9.747 1.295 8 HD13 LEU 41 HD13 LEU 41 2.766 -8.854 0.723 9 HD21 LEU 41 HD21 LEU 41 3.966 -9.182 3.716 10 HD22 LEU 41 HD22 LEU 41 3.498 -7.544 4.173 11 HD23 LEU 41 HD23 LEU 41 2.379 -8.561 3.265 No H/Q in entry = 11 In of MODEL 9 1 H LYS 42 H LYS 42 7.915 -7.353 3.796 2 HA LYS 42 HA LYS 42 9.524 -6.088 1.712 3 HB2 LYS 42 HB2 LYS 42 10.444 -6.933 4.446 4 HB3 LYS 42 HB3 LYS 42 11.450 -6.222 3.197 5 HG2 LYS 42 HG2 LYS 42 9.851 -4.200 3.322 6 HG3 LYS 42 HG3 LYS 42 9.301 -4.918 4.800 7 HD2 LYS 42 HD2 LYS 42 11.068 -3.261 5.224 8 HD3 LYS 42 HD3 LYS 42 11.566 -4.883 5.718 9 HE2 LYS 42 HE2 LYS 42 12.790 -5.151 3.613 10 HE3 LYS 42 HE3 LYS 42 12.288 -3.538 3.113 11 HZ1 LYS 42 HZ1 LYS 42 13.472 -2.705 5.145 12 HZ2 LYS 42 HZ2 LYS 42 14.114 -4.262 5.336 13 HZ3 LYS 42 HZ3 LYS 42 14.475 -3.362 3.940 No H/Q in entry = 13 In of MODEL 9 1 H ASN 43 H ASN 43 9.876 -7.579 0.324 2 HA ASN 43 HA ASN 43 10.488 -9.523 -0.714 3 HB2 ASN 43 HB2 ASN 43 11.961 -9.541 1.751 4 HB3 ASN 43 HB3 ASN 43 11.490 -11.184 1.331 5 HD21 ASN 43 HD21 ASN 43 13.413 -8.442 0.477 6 HD22 ASN 43 HD22 ASN 43 14.314 -9.214 -0.795 No H/Q in entry = 6 In of MODEL 9 1 H GLY 44 H GLY 44 8.561 -9.697 2.120 2 HA2 GLY 44 HA2 GLY 44 7.778 -12.450 1.774 3 HA3 GLY 44 HA3 GLY 44 6.561 -11.275 1.275 No H/Q in entry = 3 In of MODEL 9 1 H GLU 45 H GLU 45 8.355 -9.902 3.704 2 HA GLU 45 HA GLU 45 6.715 -11.079 5.837 3 HB2 GLU 45 HB2 GLU 45 9.368 -9.675 5.992 4 HB3 GLU 45 HB3 GLU 45 8.591 -10.591 7.276 5 HG2 GLU 45 HG2 GLU 45 9.390 -11.792 4.655 6 HG3 GLU 45 HG3 GLU 45 10.485 -11.685 6.008 No H/Q in entry = 6 In of MODEL 9 1 H ARG 46 H ARG 46 5.597 -9.774 7.182 2 HA ARG 46 HA ARG 46 4.692 -7.312 6.240 3 HB2 ARG 46 HB2 ARG 46 3.395 -8.799 7.702 4 HB3 ARG 46 HB3 ARG 46 4.522 -8.489 9.016 5 HG2 ARG 46 HG2 ARG 46 3.816 -6.204 9.178 6 HG3 ARG 46 HG3 ARG 46 2.851 -6.343 7.713 7 HD2 ARG 46 HD2 ARG 46 1.211 -7.651 8.773 8 HD3 ARG 46 HD3 ARG 46 2.286 -8.065 10.109 9 HE ARG 46 HE ARG 46 2.007 -5.817 10.950 10 HH11 ARG 46 HH11 ARG 46 -0.186 -6.723 8.376 11 HH12 ARG 46 HH12 ARG 46 -1.406 -5.569 8.827 12 HH21 ARG 46 HH21 ARG 46 0.382 -4.327 11.578 13 HH22 ARG 46 HH22 ARG 46 -1.094 -4.229 10.663 No H/Q in entry = 13 In of MODEL 9 1 H ILE 47 H ILE 47 5.148 -5.236 6.688 2 HA ILE 47 HA ILE 47 7.510 -4.587 8.272 3 HB ILE 47 HB ILE 47 5.673 -2.787 6.668 4 HG12 ILE 47 HG12 ILE 47 8.453 -3.689 5.950 5 HG13 ILE 47 HG13 ILE 47 7.006 -4.443 5.300 6 HG21 ILE 47 HG21 ILE 47 8.347 -2.236 7.951 7 HG22 ILE 47 HG22 ILE 47 7.472 -1.119 6.903 8 HG23 ILE 47 HG23 ILE 47 6.785 -1.593 8.460 9 HD11 ILE 47 HD11 ILE 47 6.346 -2.151 4.472 10 HD12 ILE 47 HD12 ILE 47 7.981 -1.641 4.868 11 HD13 ILE 47 HD13 ILE 47 7.711 -2.902 3.662 No H/Q in entry = 11 In of MODEL 9 1 H GLU 48 H GLU 48 7.352 -3.491 10.242 2 HA GLU 48 HA GLU 48 4.659 -3.402 11.338 3 HB2 GLU 48 HB2 GLU 48 6.343 -2.830 13.410 4 HB3 GLU 48 HB3 GLU 48 5.764 -4.425 13.007 5 HG2 GLU 48 HG2 GLU 48 8.058 -4.612 13.311 6 HG3 GLU 48 HG3 GLU 48 7.792 -4.606 11.587 No H/Q in entry = 6 In of MODEL 9 1 H LYS 49 H LYS 49 7.467 -1.313 10.834 2 HA LYS 49 HA LYS 49 6.455 0.959 12.013 3 HB2 LYS 49 HB2 LYS 49 8.302 0.926 9.670 4 HB3 LYS 49 HB3 LYS 49 8.231 2.119 10.977 5 HG2 LYS 49 HG2 LYS 49 8.731 0.203 12.560 6 HG3 LYS 49 HG3 LYS 49 9.118 -0.734 11.146 7 HD2 LYS 49 HD2 LYS 49 10.807 1.154 10.583 8 HD3 LYS 49 HD3 LYS 49 10.559 1.659 12.254 9 HE2 LYS 49 HE2 LYS 49 12.523 0.195 11.961 10 HE3 LYS 49 HE3 LYS 49 11.329 -0.489 13.058 11 HZ1 LYS 49 HZ1 LYS 49 11.552 -1.199 10.182 12 HZ2 LYS 49 HZ2 LYS 49 12.252 -2.093 11.439 13 HZ3 LYS 49 HZ3 LYS 49 10.562 -1.946 11.340 No H/Q in entry = 13 In of MODEL 9 1 H VAL 50 H VAL 50 4.864 -0.485 9.708 2 HA VAL 50 HA VAL 50 4.163 1.642 7.947 3 HB VAL 50 HB VAL 50 2.546 -0.796 8.693 4 HG11 VAL 50 HG11 VAL 50 1.245 1.013 7.631 5 HG12 VAL 50 HG12 VAL 50 2.372 0.997 6.271 6 HG13 VAL 50 HG13 VAL 50 1.372 -0.418 6.600 7 HG21 VAL 50 HG21 VAL 50 4.496 -0.369 6.436 8 HG22 VAL 50 HG22 VAL 50 4.727 -1.419 7.833 9 HG23 VAL 50 HG23 VAL 50 3.472 -1.785 6.652 No H/Q in entry = 9 In of MODEL 9 1 H GLU 51 H GLU 51 2.737 3.247 8.195 2 HA GLU 51 HA GLU 51 0.821 3.109 10.408 3 HB2 GLU 51 HB2 GLU 51 2.355 5.602 9.642 4 HB3 GLU 51 HB3 GLU 51 1.188 5.435 10.951 5 HG2 GLU 51 HG2 GLU 51 2.650 3.959 12.139 6 HG3 GLU 51 HG3 GLU 51 3.803 3.962 10.806 No H/Q in entry = 6 In of MODEL 9 1 H HIS 52 H HIS 52 -1.137 3.958 9.974 2 HA HIS 52 HA HIS 52 -1.630 4.745 7.184 3 HB2 HIS 52 HB2 HIS 52 -4.019 4.063 7.674 4 HB3 HIS 52 HB3 HIS 52 -2.843 2.761 7.658 5 HD2 HIS 52 HD2 HIS 52 -2.118 1.873 10.364 6 HE1 HIS 52 HE1 HIS 52 -5.787 3.291 11.920 7 HE2 HIS 52 HE2 HIS 52 -3.882 1.659 12.253 No H/Q in entry = 7 In of MODEL 9 1 H SER 53 H SER 53 -2.667 6.597 6.683 2 HA SER 53 HA SER 53 -3.171 8.609 8.633 3 HB2 SER 53 HB2 SER 53 -4.208 8.308 5.776 4 HB3 SER 53 HB3 SER 53 -4.305 9.797 6.718 5 HG SER 53 HG SER 53 -1.974 9.737 6.814 No H/Q in entry = 5 In of MODEL 9 1 H ASP 54 H ASP 54 -5.390 9.490 9.095 2 HA ASP 54 HA ASP 54 -7.079 7.321 9.945 3 HB2 ASP 54 HB2 ASP 54 -6.792 9.218 11.412 4 HB3 ASP 54 HB3 ASP 54 -7.345 10.326 10.163 No H/Q in entry = 4 In of MODEL 9 1 H LEU 55 H LEU 55 -8.208 6.289 8.369 2 HA LEU 55 HA LEU 55 -9.184 5.995 6.307 3 HB2 LEU 55 HB2 LEU 55 -10.794 6.303 8.396 4 HB3 LEU 55 HB3 LEU 55 -11.383 7.639 7.442 5 HG LEU 55 HG LEU 55 -12.711 5.534 7.230 6 HD11 LEU 55 HD11 LEU 55 -12.786 7.244 5.481 7 HD12 LEU 55 HD12 LEU 55 -11.457 6.436 4.650 8 HD13 LEU 55 HD13 LEU 55 -13.008 5.613 4.841 9 HD21 LEU 55 HD21 LEU 55 -10.888 3.928 7.342 10 HD22 LEU 55 HD22 LEU 55 -11.843 3.708 5.876 11 HD23 LEU 55 HD23 LEU 55 -10.273 4.505 5.790 No H/Q in entry = 11 In of MODEL 9 1 H SER 56 H SER 56 -11.270 8.618 6.404 2 HA SER 56 HA SER 56 -10.098 10.687 5.025 3 HB2 SER 56 HB2 SER 56 -10.980 8.438 3.212 4 HB3 SER 56 HB3 SER 56 -11.085 10.112 2.675 5 HG SER 56 HG SER 56 -8.716 8.887 3.649 No H/Q in entry = 5 In of MODEL 9 1 H PHE 57 H PHE 57 -11.879 11.868 3.663 2 HA PHE 57 HA PHE 57 -14.461 11.421 4.982 3 HB2 PHE 57 HB2 PHE 57 -15.023 13.719 4.365 4 HB3 PHE 57 HB3 PHE 57 -13.502 13.684 5.247 5 HD1 PHE 57 HD1 PHE 57 -15.164 14.604 2.199 6 HD2 PHE 57 HD2 PHE 57 -11.355 13.940 3.974 7 HE1 PHE 57 HE1 PHE 57 -14.101 15.876 0.382 8 HE2 PHE 57 HE2 PHE 57 -10.284 15.210 2.161 9 HZ PHE 57 HZ PHE 57 -11.656 16.180 0.361 No H/Q in entry = 9 In of MODEL 9 1 H SER 58 H SER 58 -16.297 11.093 3.802 2 HA SER 58 HA SER 58 -16.058 9.866 1.268 3 HB2 SER 58 HB2 SER 58 -18.545 10.931 2.638 4 HB3 SER 58 HB3 SER 58 -18.497 9.726 1.347 5 HG SER 58 HG SER 58 -18.130 9.408 4.027 No H/Q in entry = 5 In of MODEL 9 1 H LYS 59 H LYS 59 -17.196 10.612 -0.757 2 HA LYS 59 HA LYS 59 -17.471 13.460 -1.012 3 HB2 LYS 59 HB2 LYS 59 -15.050 13.264 -1.221 4 HB3 LYS 59 HB3 LYS 59 -15.239 12.049 -2.479 5 HG2 LYS 59 HG2 LYS 59 -16.361 13.712 -3.893 6 HG3 LYS 59 HG3 LYS 59 -16.110 14.928 -2.642 7 HD2 LYS 59 HD2 LYS 59 -13.742 14.818 -2.898 8 HD3 LYS 59 HD3 LYS 59 -13.862 13.401 -3.943 9 HE2 LYS 59 HE2 LYS 59 -13.410 15.500 -5.179 10 HE3 LYS 59 HE3 LYS 59 -14.899 14.708 -5.686 11 HZ1 LYS 59 HZ1 LYS 59 -16.060 16.277 -4.107 12 HZ2 LYS 59 HZ2 LYS 59 -14.593 17.128 -4.006 13 HZ3 LYS 59 HZ3 LYS 59 -15.388 16.981 -5.495 No H/Q in entry = 13 In of MODEL 9 1 H ASP 60 H ASP 60 -16.573 11.132 -3.614 2 HA ASP 60 HA ASP 60 -19.306 11.332 -4.608 3 HB2 ASP 60 HB2 ASP 60 -16.805 12.188 -6.050 4 HB3 ASP 60 HB3 ASP 60 -18.218 11.637 -6.938 No H/Q in entry = 4 In of MODEL 9 1 H TRP 61 H TRP 61 -16.123 10.148 -5.635 2 HA TRP 61 HA TRP 61 -17.187 7.905 -6.979 3 HB2 TRP 61 HB2 TRP 61 -14.337 8.350 -6.075 4 HB3 TRP 61 HB3 TRP 61 -14.871 7.216 -7.307 5 HD1 TRP 61 HD1 TRP 61 -15.645 8.273 -9.680 6 HE1 TRP 61 HE1 TRP 61 -14.986 10.483 -10.829 7 HE3 TRP 61 HE3 TRP 61 -13.769 10.747 -5.626 8 HZ2 TRP 61 HZ2 TRP 61 -13.826 12.951 -10.100 9 HZ3 TRP 61 HZ3 TRP 61 -12.901 13.024 -5.919 10 HH2 TRP 61 HH2 TRP 61 -12.929 14.117 -8.140 No H/Q in entry = 10 In of MODEL 9 1 H SER 62 H SER 62 -15.042 8.017 -4.156 2 HA SER 62 HA SER 62 -16.357 5.856 -2.824 3 HB2 SER 62 HB2 SER 62 -15.107 4.676 -4.685 4 HB3 SER 62 HB3 SER 62 -13.606 5.335 -4.023 5 HG SER 62 HG SER 62 -15.329 3.383 -2.931 No H/Q in entry = 5 In of MODEL 9 1 H PHE 63 H PHE 63 -14.173 4.981 -1.336 2 HA PHE 63 HA PHE 63 -13.425 7.445 0.106 3 HB2 PHE 63 HB2 PHE 63 -13.471 4.745 1.415 4 HB3 PHE 63 HB3 PHE 63 -13.718 6.331 2.135 5 HD1 PHE 63 HD1 PHE 63 -15.278 3.603 0.249 6 HD2 PHE 63 HD2 PHE 63 -15.906 7.346 2.189 7 HE1 PHE 63 HE1 PHE 63 -17.711 3.223 0.185 8 HE2 PHE 63 HE2 PHE 63 -18.348 6.967 2.125 9 HZ PHE 63 HZ PHE 63 -19.244 4.909 1.120 No H/Q in entry = 9 In of MODEL 9 1 H TYR 64 H TYR 64 -11.309 7.513 1.001 2 HA TYR 64 HA TYR 64 -9.457 5.714 -0.409 3 HB2 TYR 64 HB2 TYR 64 -8.815 8.473 0.644 4 HB3 TYR 64 HB3 TYR 64 -7.868 7.509 -0.480 5 HD1 TYR 64 HD1 TYR 64 -9.779 10.317 -0.314 6 HD2 TYR 64 HD2 TYR 64 -9.489 6.750 -2.619 7 HE1 TYR 64 HE1 TYR 64 -10.896 11.447 -2.191 8 HE2 TYR 64 HE2 TYR 64 -10.605 7.871 -4.505 9 HH TYR 64 HH TYR 64 -10.920 11.142 -4.764 No H/Q in entry = 9 In of MODEL 9 1 H LEU 65 H LEU 65 -7.800 4.757 0.720 2 HA LEU 65 HA LEU 65 -7.300 5.595 3.462 3 HB2 LEU 65 HB2 LEU 65 -8.847 3.856 3.849 4 HB3 LEU 65 HB3 LEU 65 -8.147 2.840 2.604 5 HG LEU 65 HG LEU 65 -6.333 3.430 4.852 6 HD11 LEU 65 HD11 LEU 65 -8.611 3.281 5.912 7 HD12 LEU 65 HD12 LEU 65 -8.701 1.631 5.301 8 HD13 LEU 65 HD13 LEU 65 -7.443 2.081 6.454 9 HD21 LEU 65 HD21 LEU 65 -5.850 1.841 3.034 10 HD22 LEU 65 HD22 LEU 65 -5.889 1.054 4.613 11 HD23 LEU 65 HD23 LEU 65 -7.257 0.891 3.512 No H/Q in entry = 11 In of MODEL 9 1 H LEU 66 H LEU 66 -5.211 5.610 3.945 2 HA LEU 66 HA LEU 66 -3.390 4.659 1.841 3 HB2 LEU 66 HB2 LEU 66 -3.895 7.207 2.367 4 HB3 LEU 66 HB3 LEU 66 -2.706 6.946 3.607 5 HG LEU 66 HG LEU 66 -2.239 6.536 0.670 6 HD11 LEU 66 HD11 LEU 66 -1.350 8.749 2.518 7 HD12 LEU 66 HD12 LEU 66 -0.810 8.539 0.854 8 HD13 LEU 66 HD13 LEU 66 -2.504 8.893 1.196 9 HD21 LEU 66 HD21 LEU 66 -0.326 6.427 2.983 10 HD22 LEU 66 HD22 LEU 66 -0.860 5.063 2.005 11 HD23 LEU 66 HD23 LEU 66 0.117 6.341 1.282 No H/Q in entry = 11 In of MODEL 9 1 H TYR 67 H TYR 67 -1.849 3.294 2.434 2 HA TYR 67 HA TYR 67 -0.993 3.198 5.253 3 HB2 TYR 67 HB2 TYR 67 -1.655 1.011 3.364 4 HB3 TYR 67 HB3 TYR 67 -0.262 0.766 4.410 5 HD1 TYR 67 HD1 TYR 67 -3.908 0.961 4.259 6 HD2 TYR 67 HD2 TYR 67 -0.541 0.632 6.849 7 HE1 TYR 67 HE1 TYR 67 -5.365 0.170 6.055 8 HE2 TYR 67 HE2 TYR 67 -2.009 -0.155 8.663 9 HH TYR 67 HH TYR 67 -4.965 -1.326 8.261 No H/Q in entry = 9 In of MODEL 9 1 H TYR 68 H TYR 68 0.969 3.968 5.508 2 HA TYR 68 HA TYR 68 2.938 3.546 3.361 3 HB2 TYR 68 HB2 TYR 68 3.723 5.877 3.622 4 HB3 TYR 68 HB3 TYR 68 2.049 5.812 3.069 5 HD1 TYR 68 HD1 TYR 68 4.278 6.694 5.849 6 HD2 TYR 68 HD2 TYR 68 0.245 6.590 4.499 7 HE1 TYR 68 HE1 TYR 68 3.635 8.209 7.674 8 HE2 TYR 68 HE2 TYR 68 -0.411 8.109 6.324 9 HH TYR 68 HH TYR 68 0.270 8.984 8.320 No H/Q in entry = 9 In of MODEL 9 1 H THR 69 H THR 69 5.183 4.030 4.051 2 HA THR 69 HA THR 69 5.712 4.042 6.890 3 HB THR 69 HB THR 69 5.314 1.624 6.413 4 HG1 THR 69 HG1 THR 69 6.762 2.210 8.070 5 HG21 THR 69 HG21 THR 69 7.668 1.971 4.553 6 HG22 THR 69 HG22 THR 69 7.095 0.408 5.136 7 HG23 THR 69 HG23 THR 69 6.042 1.414 4.138 No H/Q in entry = 7 In of MODEL 9 1 H GLU 70 H GLU 70 7.719 4.768 7.362 2 HA GLU 70 HA GLU 70 9.280 5.911 5.216 3 HB2 GLU 70 HB2 GLU 70 8.866 7.044 7.443 4 HB3 GLU 70 HB3 GLU 70 9.897 5.828 8.180 5 HG2 GLU 70 HG2 GLU 70 11.726 6.589 6.637 6 HG3 GLU 70 HG3 GLU 70 10.681 7.932 6.187 No H/Q in entry = 6 In of MODEL 9 1 H PHE 71 H PHE 71 11.156 5.088 4.422 2 HA PHE 71 HA PHE 71 12.346 2.759 5.657 3 HB2 PHE 71 HB2 PHE 71 12.101 1.303 3.708 4 HB3 PHE 71 HB3 PHE 71 10.526 1.750 4.344 5 HD1 PHE 71 HD1 PHE 71 10.612 4.583 3.008 6 HD2 PHE 71 HD2 PHE 71 11.262 0.630 1.595 7 HE1 PHE 71 HE1 PHE 71 9.899 5.271 0.769 8 HE2 PHE 71 HE2 PHE 71 10.534 1.294 -0.650 9 HZ PHE 71 HZ PHE 71 9.868 3.641 -1.090 No H/Q in entry = 9 In of MODEL 9 1 H THR 72 H THR 72 14.361 2.143 4.590 2 HA THR 72 HA THR 72 15.460 4.302 2.914 3 HB THR 72 HB THR 72 16.970 2.605 4.917 4 HG1 THR 72 HG1 THR 72 15.436 4.300 5.716 5 HG21 THR 72 HG21 THR 72 18.356 3.360 3.029 6 HG22 THR 72 HG22 THR 72 17.849 5.023 3.323 7 HG23 THR 72 HG23 THR 72 18.814 4.170 4.527 No H/Q in entry = 7 In of MODEL 9 1 HA PRO 73 HA PRO 73 15.114 0.441 0.351 2 HB2 PRO 73 HB2 PRO 73 15.638 1.992 -1.957 3 HB3 PRO 73 HB3 PRO 73 14.046 1.481 -1.368 4 HG2 PRO 73 HG2 PRO 73 15.471 4.068 -1.005 5 HG3 PRO 73 HG3 PRO 73 13.734 3.768 -1.211 6 HD2 PRO 73 HD2 PRO 73 14.751 4.384 1.178 7 HD3 PRO 73 HD3 PRO 73 13.455 3.170 1.027 No H/Q in entry = 7 In of MODEL 9 1 H THR 74 H THR 74 16.584 -0.755 -0.710 2 HA THR 74 HA THR 74 19.278 0.301 -1.103 3 HB THR 74 HB THR 74 20.319 -1.627 -0.059 4 HG1 THR 74 HG1 THR 74 17.628 -2.488 0.327 5 HG21 THR 74 HG21 THR 74 19.770 0.244 1.455 6 HG22 THR 74 HG22 THR 74 18.211 -0.508 1.796 7 HG23 THR 74 HG23 THR 74 19.700 -1.308 2.293 No H/Q in entry = 7 In of MODEL 9 1 H GLU 75 H GLU 75 20.585 -1.393 -2.398 2 HA GLU 75 HA GLU 75 19.280 -2.223 -4.716 3 HB2 GLU 75 HB2 GLU 75 21.819 -2.015 -4.073 4 HB3 GLU 75 HB3 GLU 75 21.653 -3.715 -3.658 5 HG2 GLU 75 HG2 GLU 75 21.302 -2.418 -6.340 6 HG3 GLU 75 HG3 GLU 75 22.529 -3.581 -5.845 No H/Q in entry = 6 In of MODEL 9 1 H LYS 76 H LYS 76 19.904 -3.945 -1.707 2 HA LYS 76 HA LYS 76 19.355 -6.489 -2.893 3 HB2 LYS 76 HB2 LYS 76 20.203 -5.696 -0.117 4 HB3 LYS 76 HB3 LYS 76 20.065 -7.351 -0.685 5 HG2 LYS 76 HG2 LYS 76 22.175 -7.252 -1.390 6 HG3 LYS 76 HG3 LYS 76 21.714 -5.989 -2.531 7 HD2 LYS 76 HD2 LYS 76 22.119 -4.287 -0.809 8 HD3 LYS 76 HD3 LYS 76 22.564 -5.554 0.333 9 HE2 LYS 76 HE2 LYS 76 23.982 -5.009 -2.280 10 HE3 LYS 76 HE3 LYS 76 24.529 -4.436 -0.699 11 HZ1 LYS 76 HZ1 LYS 76 24.518 -6.845 -0.016 12 HZ2 LYS 76 HZ2 LYS 76 24.338 -7.234 -1.655 13 HZ3 LYS 76 HZ3 LYS 76 25.716 -6.403 -1.131 No H/Q in entry = 13 In of MODEL 9 1 H ASP 77 H ASP 77 17.654 -4.225 -0.794 2 HA ASP 77 HA ASP 77 15.919 -6.442 -0.001 3 HB2 ASP 77 HB2 ASP 77 15.165 -5.176 1.840 4 HB3 ASP 77 HB3 ASP 77 16.894 -4.908 1.776 No H/Q in entry = 4 In of MODEL 9 1 H GLU 78 H GLU 78 13.522 -5.826 0.242 2 HA GLU 78 HA GLU 78 12.592 -4.316 -2.068 3 HB2 GLU 78 HB2 GLU 78 13.169 -6.362 -3.169 4 HB3 GLU 78 HB3 GLU 78 12.500 -7.323 -1.869 5 HG2 GLU 78 HG2 GLU 78 10.383 -7.197 -2.631 6 HG3 GLU 78 HG3 GLU 78 10.574 -5.604 -3.356 No H/Q in entry = 6 In of MODEL 9 1 H TYR 79 H TYR 79 10.376 -3.829 -1.926 2 HA TYR 79 HA TYR 79 9.040 -4.841 0.457 3 HB2 TYR 79 HB2 TYR 79 8.576 -1.991 -0.383 4 HB3 TYR 79 HB3 TYR 79 8.368 -2.738 1.203 5 HD1 TYR 79 HD1 TYR 79 9.810 -2.093 2.846 6 HD2 TYR 79 HD2 TYR 79 11.187 -2.024 -1.179 7 HE1 TYR 79 HE1 TYR 79 11.963 -1.162 3.595 8 HE2 TYR 79 HE2 TYR 79 13.345 -1.118 -0.428 9 HH TYR 79 HH TYR 79 14.602 -1.276 2.217 No H/Q in entry = 9 In of MODEL 9 1 H ALA 80 H ALA 80 6.767 -4.841 0.445 2 HA ALA 80 HA ALA 80 5.586 -4.732 -2.254 3 HB1 ALA 80 HB1 ALA 80 6.363 -7.011 -1.960 4 HB2 ALA 80 HB2 ALA 80 4.597 -6.958 -1.936 5 HB3 ALA 80 HB3 ALA 80 5.495 -7.125 -0.423 No H/Q in entry = 5 In of MODEL 9 1 H CYS 81 H CYS 81 3.192 -4.902 -2.203 2 HA CYS 81 HA CYS 81 2.089 -3.879 0.336 3 HB2 CYS 81 HB2 CYS 81 1.654 -3.152 -2.504 4 HB3 CYS 81 HB3 CYS 81 0.218 -3.184 -1.482 No H/Q in entry = 4 In of MODEL 9 1 H ARG 82 H ARG 82 0.512 -5.037 1.291 2 HA ARG 82 HA ARG 82 -0.760 -7.259 -0.210 3 HB2 ARG 82 HB2 ARG 82 0.835 -7.840 1.709 4 HB3 ARG 82 HB3 ARG 82 -0.348 -7.091 2.764 5 HG2 ARG 82 HG2 ARG 82 -2.046 -8.727 1.956 6 HG3 ARG 82 HG3 ARG 82 -0.753 -9.553 1.084 7 HD2 ARG 82 HD2 ARG 82 0.062 -10.510 2.961 8 HD3 ARG 82 HD3 ARG 82 -0.126 -9.029 3.901 9 HE ARG 82 HE ARG 82 -2.430 -10.759 3.334 10 HH11 ARG 82 HH11 ARG 82 -0.319 -9.057 5.545 11 HH12 ARG 82 HH12 ARG 82 -1.179 -9.592 6.968 12 HH21 ARG 82 HH21 ARG 82 -3.580 -11.436 5.207 13 HH22 ARG 82 HH22 ARG 82 -3.029 -10.930 6.772 No H/Q in entry = 13 In of MODEL 9 1 H VAL 83 H VAL 83 -2.990 -7.270 -0.206 2 HA VAL 83 HA VAL 83 -4.325 -5.754 1.936 3 HB VAL 83 HB VAL 83 -5.843 -4.639 0.615 4 HG11 VAL 83 HG11 VAL 83 -3.341 -4.733 -1.016 5 HG12 VAL 83 HG12 VAL 83 -4.612 -3.520 -1.158 6 HG13 VAL 83 HG13 VAL 83 -3.694 -3.666 0.342 7 HG21 VAL 83 HG21 VAL 83 -5.176 -6.487 -1.668 8 HG22 VAL 83 HG22 VAL 83 -6.658 -6.483 -0.709 9 HG23 VAL 83 HG23 VAL 83 -6.280 -5.114 -1.757 No H/Q in entry = 9 In of MODEL 9 1 H ASN 84 H ASN 84 -6.139 -6.596 2.712 2 HA ASN 84 HA ASN 84 -6.956 -9.229 1.686 3 HB2 ASN 84 HB2 ASN 84 -7.259 -8.191 4.522 4 HB3 ASN 84 HB3 ASN 84 -7.556 -9.830 3.962 5 HD21 ASN 84 HD21 ASN 84 -5.030 -7.417 4.413 6 HD22 ASN 84 HD22 ASN 84 -3.739 -8.546 4.639 No H/Q in entry = 6 In of MODEL 9 1 H HIS 85 H HIS 85 -8.947 -9.136 0.671 2 HA HIS 85 HA HIS 85 -11.094 -7.893 2.192 3 HB2 HIS 85 HB2 HIS 85 -10.180 -6.387 0.252 4 HB3 HIS 85 HB3 HIS 85 -10.992 -7.546 -0.793 5 HD2 HIS 85 HD2 HIS 85 -11.981 -4.976 2.044 6 HE1 HIS 85 HE1 HIS 85 -15.302 -5.776 -0.458 7 HE2 HIS 85 HE2 HIS 85 -14.377 -4.256 1.339 No H/Q in entry = 7 In of MODEL 9 1 H VAL 86 H VAL 86 -13.195 -8.749 1.479 2 HA VAL 86 HA VAL 86 -13.090 -11.561 1.236 3 HB VAL 86 HB VAL 86 -15.529 -11.512 1.123 4 HG11 VAL 86 HG11 VAL 86 -14.381 -9.553 3.103 5 HG12 VAL 86 HG12 VAL 86 -15.976 -10.297 3.225 6 HG13 VAL 86 HG13 VAL 86 -14.526 -11.298 3.305 7 HG21 VAL 86 HG21 VAL 86 -15.777 -9.588 -0.381 8 HG22 VAL 86 HG22 VAL 86 -16.774 -9.421 1.066 9 HG23 VAL 86 HG23 VAL 86 -15.271 -8.511 0.921 No H/Q in entry = 9 In of MODEL 9 1 H THR 87 H THR 87 -13.222 -9.037 -1.115 2 HA THR 87 HA THR 87 -14.515 -10.454 -3.186 3 HB THR 87 HB THR 87 -13.497 -8.672 -4.635 4 HG1 THR 87 HG1 THR 87 -12.697 -7.213 -2.427 5 HG21 THR 87 HG21 THR 87 -14.952 -7.850 -2.132 6 HG22 THR 87 HG22 THR 87 -14.686 -6.773 -3.502 7 HG23 THR 87 HG23 THR 87 -15.659 -8.239 -3.700 No H/Q in entry = 7 In of MODEL 9 1 H LEU 88 H LEU 88 -11.138 -9.856 -2.417 2 HA LEU 88 HA LEU 88 -10.090 -11.014 -4.778 3 HB2 LEU 88 HB2 LEU 88 -8.797 -10.490 -2.098 4 HB3 LEU 88 HB3 LEU 88 -7.918 -11.029 -3.516 5 HG LEU 88 HG LEU 88 -9.377 -8.404 -3.193 6 HD11 LEU 88 HD11 LEU 88 -6.448 -9.079 -3.471 7 HD12 LEU 88 HD12 LEU 88 -7.125 -7.445 -3.476 8 HD13 LEU 88 HD13 LEU 88 -7.253 -8.456 -2.027 9 HD21 LEU 88 HD21 LEU 88 -7.891 -9.509 -5.572 10 HD22 LEU 88 HD22 LEU 88 -9.631 -9.240 -5.463 11 HD23 LEU 88 HD23 LEU 88 -8.523 -7.867 -5.423 No H/Q in entry = 11 In of MODEL 9 1 H SER 89 H SER 89 -11.232 -12.298 -1.846 2 HA SER 89 HA SER 89 -11.484 -14.324 -0.944 3 HB2 SER 89 HB2 SER 89 -11.624 -16.283 -2.300 4 HB3 SER 89 HB3 SER 89 -12.266 -14.948 -3.247 5 HG SER 89 HG SER 89 -9.929 -14.884 -4.057 No H/Q in entry = 5 In of MODEL 9 1 H GLN 90 H GLN 90 -8.488 -13.475 -2.358 2 HA GLN 90 HA GLN 90 -7.037 -14.943 -0.329 3 HB2 GLN 90 HB2 GLN 90 -5.834 -14.883 -3.069 4 HB3 GLN 90 HB3 GLN 90 -5.567 -16.035 -1.773 5 HG2 GLN 90 HG2 GLN 90 -8.063 -15.926 -3.446 6 HG3 GLN 90 HG3 GLN 90 -6.679 -16.952 -3.807 7 HE21 GLN 90 HE21 GLN 90 -9.448 -17.645 -3.209 8 HE22 GLN 90 HE22 GLN 90 -9.399 -18.697 -1.834 No H/Q in entry = 8 In of MODEL 9 1 HA PRO 91 HA PRO 91 -5.707 -10.649 -0.055 2 HB2 PRO 91 HB2 PRO 91 -3.242 -12.036 0.942 3 HB3 PRO 91 HB3 PRO 91 -4.068 -10.604 1.583 4 HG2 PRO 91 HG2 PRO 91 -4.436 -12.931 2.764 5 HG3 PRO 91 HG3 PRO 91 -5.830 -11.859 2.463 6 HD2 PRO 91 HD2 PRO 91 -4.992 -14.363 1.009 7 HD3 PRO 91 HD3 PRO 91 -6.641 -13.780 1.396 No H/Q in entry = 7 In of MODEL 9 1 H LYS 92 H LYS 92 -4.240 -9.254 -1.066 2 HA LYS 92 HA LYS 92 -3.104 -10.491 -3.478 3 HB2 LYS 92 HB2 LYS 92 -5.086 -9.027 -3.863 4 HB3 LYS 92 HB3 LYS 92 -4.178 -7.684 -3.181 5 HG2 LYS 92 HG2 LYS 92 -4.060 -7.564 -5.569 6 HG3 LYS 92 HG3 LYS 92 -2.468 -8.010 -4.932 7 HD2 LYS 92 HD2 LYS 92 -2.838 -9.438 -6.772 8 HD3 LYS 92 HD3 LYS 92 -3.133 -10.409 -5.326 9 HE2 LYS 92 HE2 LYS 92 -5.571 -9.930 -5.604 10 HE3 LYS 92 HE3 LYS 92 -5.192 -9.163 -7.145 11 HZ1 LYS 92 HZ1 LYS 92 -4.593 -11.990 -6.458 12 HZ2 LYS 92 HZ2 LYS 92 -5.914 -11.479 -7.386 13 HZ3 LYS 92 HZ3 LYS 92 -4.334 -11.252 -7.963 No H/Q in entry = 13 In of MODEL 9 1 H ILE 93 H ILE 93 -0.985 -10.216 -3.792 2 HA ILE 93 HA ILE 93 0.332 -8.047 -2.299 3 HB ILE 93 HB ILE 93 1.532 -10.641 -3.253 4 HG12 ILE 93 HG12 ILE 93 2.069 -10.735 -0.697 5 HG13 ILE 93 HG13 ILE 93 0.754 -9.580 -0.563 6 HG21 ILE 93 HG21 ILE 93 2.856 -8.316 -1.879 7 HG22 ILE 93 HG22 ILE 93 3.608 -9.881 -2.191 8 HG23 ILE 93 HG23 ILE 93 3.127 -8.847 -3.541 9 HD11 ILE 93 HD11 ILE 93 -0.751 -11.187 -1.610 10 HD12 ILE 93 HD12 ILE 93 0.575 -12.341 -1.731 11 HD13 ILE 93 HD13 ILE 93 -0.011 -11.833 -0.147 No H/Q in entry = 11 In of MODEL 9 1 H VAL 94 H VAL 94 1.180 -6.494 -3.418 2 HA VAL 94 HA VAL 94 2.110 -7.028 -6.147 3 HB VAL 94 HB VAL 94 0.742 -4.502 -5.188 4 HG11 VAL 94 HG11 VAL 94 2.033 -5.111 -7.851 5 HG12 VAL 94 HG12 VAL 94 1.060 -3.684 -7.490 6 HG13 VAL 94 HG13 VAL 94 2.595 -3.937 -6.661 7 HG21 VAL 94 HG21 VAL 94 -0.792 -6.325 -5.720 8 HG22 VAL 94 HG22 VAL 94 -0.912 -5.033 -6.914 9 HG23 VAL 94 HG23 VAL 94 -0.034 -6.512 -7.300 No H/Q in entry = 9 In of MODEL 9 1 H LYS 95 H LYS 95 4.150 -6.523 -6.458 2 HA LYS 95 HA LYS 95 5.656 -5.609 -4.149 3 HB2 LYS 95 HB2 LYS 95 6.439 -6.837 -6.758 4 HB3 LYS 95 HB3 LYS 95 7.629 -6.045 -5.735 5 HG2 LYS 95 HG2 LYS 95 6.901 -7.571 -3.877 6 HG3 LYS 95 HG3 LYS 95 5.980 -8.469 -5.085 7 HD2 LYS 95 HD2 LYS 95 7.879 -9.165 -6.217 8 HD3 LYS 95 HD3 LYS 95 8.870 -7.863 -5.562 9 HE2 LYS 95 HE2 LYS 95 8.839 -8.945 -3.363 10 HE3 LYS 95 HE3 LYS 95 7.843 -10.252 -4.015 11 HZ1 LYS 95 HZ1 LYS 95 9.695 -10.660 -5.620 12 HZ2 LYS 95 HZ2 LYS 95 10.638 -9.565 -4.733 13 HZ3 LYS 95 HZ3 LYS 95 10.075 -10.990 -4.001 No H/Q in entry = 13 In of MODEL 9 1 H TRP 96 H TRP 96 6.996 -3.838 -4.084 2 HA TRP 96 HA TRP 96 6.116 -1.618 -5.691 3 HB2 TRP 96 HB2 TRP 96 6.554 -1.298 -3.297 4 HB3 TRP 96 HB3 TRP 96 8.230 -1.809 -3.503 5 HD1 TRP 96 HD1 TRP 96 5.903 1.019 -4.799 6 HE1 TRP 96 HE1 TRP 96 7.334 3.134 -5.089 7 HE3 TRP 96 HE3 TRP 96 10.464 -0.912 -3.547 8 HZ2 TRP 96 HZ2 TRP 96 10.031 3.890 -4.819 9 HZ3 TRP 96 HZ3 TRP 96 12.425 0.568 -3.581 10 HH2 TRP 96 HH2 TRP 96 12.208 2.938 -4.209 No H/Q in entry = 10 In of MODEL 9 1 H ASP 97 H ASP 97 7.047 -0.925 -7.490 2 HA ASP 97 HA ASP 97 9.724 -1.948 -8.151 3 HB2 ASP 97 HB2 ASP 97 9.077 -1.969 -10.497 4 HB3 ASP 97 HB3 ASP 97 7.924 -2.924 -9.567 No H/Q in entry = 4 In of MODEL 9 1 H ARG 98 H ARG 98 11.244 -0.535 -8.635 2 HA ARG 98 HA ARG 98 10.439 2.251 -9.047 3 HB2 ARG 98 HB2 ARG 98 12.507 2.925 -8.083 4 HB3 ARG 98 HB3 ARG 98 11.823 1.715 -7.031 5 HG2 ARG 98 HG2 ARG 98 13.903 0.911 -7.014 6 HG3 ARG 98 HG3 ARG 98 13.422 0.171 -8.541 7 HD2 ARG 98 HD2 ARG 98 15.613 1.325 -8.658 8 HD3 ARG 98 HD3 ARG 98 14.420 1.967 -9.788 9 HE ARG 98 HE ARG 98 14.587 3.380 -7.271 10 HH11 ARG 98 HH11 ARG 98 15.756 3.141 -10.567 11 HH12 ARG 98 HH12 ARG 98 16.282 4.803 -10.622 12 HH21 ARG 98 HH21 ARG 98 15.310 5.580 -7.365 13 HH22 ARG 98 HH22 ARG 98 16.044 6.157 -8.829 No H/Q in entry = 13 In of MODEL 9 1 H ASP 99 H ASP 99 12.382 -0.396 -10.218 2 HA ASP 99 HA ASP 99 12.340 0.842 -12.879 3 HB2 ASP 99 HB2 ASP 99 14.724 -0.443 -11.551 4 HB3 ASP 99 HB3 ASP 99 14.587 -0.330 -13.299 No H/Q in entry = 4 In of MODEL 9 1 H MET 100 H MET 100 11.720 -1.742 -10.871 2 HA MET 100 HA MET 100 12.310 -3.997 -12.386 3 HB2 MET 100 HB2 MET 100 9.897 -3.927 -10.599 4 HB3 MET 100 HB3 MET 100 11.075 -5.211 -10.822 5 HG2 MET 100 HG2 MET 100 11.524 -2.619 -9.365 6 HG3 MET 100 HG3 MET 100 11.276 -4.199 -8.629 7 HE1 MET 100 HE1 MET 100 13.022 -6.070 -8.490 8 HE2 MET 100 HE2 MET 100 12.996 -6.206 -10.248 9 HE3 MET 100 HE3 MET 100 14.536 -6.098 -9.395 No H/Q in entry = 9 In of MODEL 10 1 HA ILE 2 HA ILE 2 -23.305 -7.705 -3.358 2 HB ILE 2 HB ILE 2 -22.884 -9.049 -1.292 3 HG12 ILE 2 HG12 ILE 2 -21.223 -10.781 -3.149 4 HG13 ILE 2 HG13 ILE 2 -20.615 -9.862 -1.775 5 HG21 ILE 2 HG21 ILE 2 -24.763 -9.560 -2.736 6 HG22 ILE 2 HG22 ILE 2 -23.749 -10.620 -3.715 7 HG23 ILE 2 HG23 ILE 2 -24.104 -11.040 -2.040 8 HD11 ILE 2 HD11 ILE 2 -22.536 -12.173 -1.630 9 HD12 ILE 2 HD12 ILE 2 -20.816 -12.221 -1.250 10 HD13 ILE 2 HD13 ILE 2 -21.911 -11.256 -0.260 No H/Q in entry = 10 In of MODEL 10 1 H GLN 3 H GLN 3 -20.358 -7.334 -4.402 2 HA GLN 3 HA GLN 3 -19.606 -5.283 -2.655 3 HB2 GLN 3 HB2 GLN 3 -19.108 -7.488 -1.304 4 HB3 GLN 3 HB3 GLN 3 -17.719 -7.614 -2.368 5 HG2 GLN 3 HG2 GLN 3 -17.086 -6.583 -0.271 6 HG3 GLN 3 HG3 GLN 3 -16.928 -5.433 -1.601 7 HE21 GLN 3 HE21 GLN 3 -17.354 -5.121 1.356 8 HE22 GLN 3 HE22 GLN 3 -18.720 -4.059 1.484 No H/Q in entry = 8 In of MODEL 10 1 H ARG 4 H ARG 4 -17.236 -4.593 -3.210 2 HA ARG 4 HA ARG 4 -16.746 -5.242 -6.040 3 HB2 ARG 4 HB2 ARG 4 -17.708 -3.046 -5.955 4 HB3 ARG 4 HB3 ARG 4 -16.668 -2.579 -4.620 5 HG2 ARG 4 HG2 ARG 4 -14.780 -2.330 -5.983 6 HG3 ARG 4 HG3 ARG 4 -15.487 -3.280 -7.304 7 HD2 ARG 4 HD2 ARG 4 -15.422 -0.856 -7.787 8 HD3 ARG 4 HD3 ARG 4 -17.077 -1.479 -7.771 9 HE ARG 4 HE ARG 4 -16.152 -0.397 -5.258 10 HH11 ARG 4 HH11 ARG 4 -17.680 0.400 -8.311 11 HH12 ARG 4 HH12 ARG 4 -18.533 1.768 -7.665 12 HH21 ARG 4 HH21 ARG 4 -17.259 1.399 -4.421 13 HH22 ARG 4 HH22 ARG 4 -18.300 2.337 -5.452 No H/Q in entry = 13 In of MODEL 10 1 H THR 5 H THR 5 -14.630 -5.475 -6.686 2 HA THR 5 HA THR 5 -12.850 -6.357 -4.654 3 HB THR 5 HB THR 5 -11.330 -6.968 -6.435 4 HG1 THR 5 HG1 THR 5 -12.995 -6.026 -8.472 5 HG21 THR 5 HG21 THR 5 -14.231 -7.537 -6.964 6 HG22 THR 5 HG22 THR 5 -12.946 -8.261 -7.931 7 HG23 THR 5 HG23 THR 5 -13.026 -8.568 -6.198 No H/Q in entry = 7 In of MODEL 10 1 HA PRO 6 HA PRO 6 -10.681 -2.420 -4.253 2 HB2 PRO 6 HB2 PRO 6 -9.016 -3.710 -2.276 3 HB3 PRO 6 HB3 PRO 6 -10.235 -2.459 -2.034 4 HG2 PRO 6 HG2 PRO 6 -10.474 -5.065 -1.152 5 HG3 PRO 6 HG3 PRO 6 -11.846 -3.964 -1.440 6 HD2 PRO 6 HD2 PRO 6 -10.792 -6.193 -3.147 7 HD3 PRO 6 HD3 PRO 6 -12.465 -5.621 -2.913 No H/Q in entry = 7 In of MODEL 10 1 H LYS 7 H LYS 7 -9.081 -1.878 -5.585 2 HA LYS 7 HA LYS 7 -7.278 -4.001 -6.506 3 HB2 LYS 7 HB2 LYS 7 -8.612 -2.896 -8.237 4 HB3 LYS 7 HB3 LYS 7 -8.020 -1.323 -7.731 5 HG2 LYS 7 HG2 LYS 7 -5.757 -1.966 -8.419 6 HG3 LYS 7 HG3 LYS 7 -6.379 -3.526 -8.958 7 HD2 LYS 7 HD2 LYS 7 -6.151 -2.061 -10.860 8 HD3 LYS 7 HD3 LYS 7 -7.863 -2.337 -10.546 9 HE2 LYS 7 HE2 LYS 7 -6.496 0.050 -9.374 10 HE3 LYS 7 HE3 LYS 7 -6.991 0.067 -11.063 11 HZ1 LYS 7 HZ1 LYS 7 -8.808 -0.451 -8.766 12 HZ2 LYS 7 HZ2 LYS 7 -8.664 1.027 -9.575 13 HZ3 LYS 7 HZ3 LYS 7 -9.259 -0.336 -10.396 No H/Q in entry = 13 In of MODEL 10 1 H ILE 8 H ILE 8 -5.015 -3.497 -6.847 2 HA ILE 8 HA ILE 8 -4.069 -1.987 -4.517 3 HB ILE 8 HB ILE 8 -2.328 -3.759 -6.194 4 HG12 ILE 8 HG12 ILE 8 -4.261 -5.139 -5.771 5 HG13 ILE 8 HG13 ILE 8 -2.958 -5.658 -4.713 6 HG21 ILE 8 HG21 ILE 8 -1.276 -2.414 -4.469 7 HG22 ILE 8 HG22 ILE 8 -2.372 -3.078 -3.257 8 HG23 ILE 8 HG23 ILE 8 -1.195 -4.124 -4.051 9 HD11 ILE 8 HD11 ILE 8 -3.975 -4.398 -2.878 10 HD12 ILE 8 HD12 ILE 8 -5.304 -3.951 -3.947 11 HD13 ILE 8 HD13 ILE 8 -5.043 -5.644 -3.527 No H/Q in entry = 11 In of MODEL 10 1 H GLN 9 H GLN 9 -3.119 -0.066 -4.787 2 HA GLN 9 HA GLN 9 -1.363 0.238 -7.116 3 HB2 GLN 9 HB2 GLN 9 -3.243 2.304 -5.971 4 HB3 GLN 9 HB3 GLN 9 -1.897 2.713 -7.048 5 HG2 GLN 9 HG2 GLN 9 -4.190 0.868 -7.726 6 HG3 GLN 9 HG3 GLN 9 -4.016 2.539 -8.270 7 HE21 GLN 9 HE21 GLN 9 -4.181 0.020 -9.779 8 HE22 GLN 9 HE22 GLN 9 -2.761 -0.029 -10.769 No H/Q in entry = 8 In of MODEL 10 1 H VAL 10 H VAL 10 0.657 0.446 -6.470 2 HA VAL 10 HA VAL 10 1.238 1.832 -3.954 3 HB VAL 10 HB VAL 10 1.406 -0.362 -3.143 4 HG11 VAL 10 HG11 VAL 10 1.115 -1.452 -5.351 5 HG12 VAL 10 HG12 VAL 10 2.842 -1.240 -5.638 6 HG13 VAL 10 HG13 VAL 10 2.286 -2.252 -4.301 7 HG21 VAL 10 HG21 VAL 10 4.163 0.346 -4.149 8 HG22 VAL 10 HG22 VAL 10 3.446 0.818 -2.609 9 HG23 VAL 10 HG23 VAL 10 3.826 -0.875 -2.925 No H/Q in entry = 9 In of MODEL 10 1 H TYR 11 H TYR 11 2.868 3.204 -4.068 2 HA TYR 11 HA TYR 11 5.012 2.931 -5.940 3 HB2 TYR 11 HB2 TYR 11 4.573 5.057 -7.152 4 HB3 TYR 11 HB3 TYR 11 3.377 3.819 -7.495 5 HD1 TYR 11 HD1 TYR 11 1.083 4.200 -7.081 6 HD2 TYR 11 HD2 TYR 11 3.968 6.960 -5.614 7 HE1 TYR 11 HE1 TYR 11 -0.713 5.791 -6.558 8 HE2 TYR 11 HE2 TYR 11 2.177 8.560 -5.085 9 HH TYR 11 HH TYR 11 -1.220 7.689 -5.391 No H/Q in entry = 9 In of MODEL 10 1 H SER 12 H SER 12 6.494 4.869 -5.782 2 HA SER 12 HA SER 12 6.905 5.446 -3.000 3 HB2 SER 12 HB2 SER 12 8.783 6.950 -4.191 4 HB3 SER 12 HB3 SER 12 8.931 5.188 -4.185 5 HG SER 12 HG SER 12 8.570 6.904 -6.263 No H/Q in entry = 5 In of MODEL 10 1 H ARG 13 H ARG 13 6.378 7.249 -1.869 2 HA ARG 13 HA ARG 13 4.376 8.989 -2.854 3 HB2 ARG 13 HB2 ARG 13 4.991 8.394 -0.414 4 HB3 ARG 13 HB3 ARG 13 6.261 9.585 -0.564 5 HG2 ARG 13 HG2 ARG 13 3.332 10.238 -0.859 6 HG3 ARG 13 HG3 ARG 13 4.242 10.360 0.639 7 HD2 ARG 13 HD2 ARG 13 4.760 11.885 -1.904 8 HD3 ARG 13 HD3 ARG 13 4.104 12.521 -0.406 9 HE ARG 13 HE ARG 13 6.872 11.872 -0.963 10 HH11 ARG 13 HH11 ARG 13 4.494 12.750 1.468 11 HH12 ARG 13 HH12 ARG 13 5.686 13.397 2.565 12 HH21 ARG 13 HH21 ARG 13 8.411 12.756 0.456 13 HH22 ARG 13 HH22 ARG 13 7.910 13.417 1.982 No H/Q in entry = 13 In of MODEL 10 1 H HIS 14 H HIS 14 7.825 9.432 -2.404 2 HA HIS 14 HA HIS 14 7.784 11.507 -4.471 3 HB2 HIS 14 HB2 HIS 14 9.067 11.635 -1.765 4 HB3 HIS 14 HB3 HIS 14 9.914 12.387 -3.113 5 HD2 HIS 14 HD2 HIS 14 6.472 13.131 -4.036 6 HE1 HIS 14 HE1 HIS 14 7.421 16.088 -1.162 7 HE2 HIS 14 HE2 HIS 14 5.680 15.276 -2.817 No H/Q in entry = 7 In of MODEL 10 1 HA PRO 15 HA PRO 15 11.159 9.366 -6.507 2 HB2 PRO 15 HB2 PRO 15 13.498 10.821 -5.937 3 HB3 PRO 15 HB3 PRO 15 12.446 11.019 -7.351 4 HG2 PRO 15 HG2 PRO 15 12.553 12.637 -4.820 5 HG3 PRO 15 HG3 PRO 15 12.150 13.147 -6.493 6 HD2 PRO 15 HD2 PRO 15 10.248 12.822 -4.596 7 HD3 PRO 15 HD3 PRO 15 9.944 12.429 -6.314 No H/Q in entry = 7 In of MODEL 10 1 H ALA 16 H ALA 16 12.491 7.682 -6.047 2 HA ALA 16 HA ALA 16 13.065 7.234 -3.211 3 HB1 ALA 16 HB1 ALA 16 11.497 5.668 -4.278 4 HB2 ALA 16 HB2 ALA 16 12.733 5.243 -5.460 5 HB3 ALA 16 HB3 ALA 16 12.969 4.852 -3.757 No H/Q in entry = 5 In of MODEL 10 1 H GLU 17 H GLU 17 15.099 6.579 -2.570 2 HA GLU 17 HA GLU 17 17.108 6.102 -4.617 3 HB2 GLU 17 HB2 GLU 17 17.144 8.533 -4.055 4 HB3 GLU 17 HB3 GLU 17 17.544 8.098 -2.393 5 HG2 GLU 17 HG2 GLU 17 19.520 8.731 -3.735 6 HG3 GLU 17 HG3 GLU 17 19.597 7.084 -3.102 No H/Q in entry = 6 In of MODEL 10 1 H ASN 18 H ASN 18 18.656 4.694 -4.052 2 HA ASN 18 HA ASN 18 18.230 3.146 -1.657 3 HB2 ASN 18 HB2 ASN 18 18.740 1.750 -3.424 4 HB3 ASN 18 HB3 ASN 18 19.931 2.858 -4.107 5 HD21 ASN 18 HD21 ASN 18 21.510 1.312 -4.315 6 HD22 ASN 18 HD22 ASN 18 22.325 0.600 -2.961 No H/Q in entry = 6 In of MODEL 10 1 H GLY 19 H GLY 19 19.267 3.265 0.163 2 HA2 GLY 19 HA2 GLY 19 21.839 4.633 0.401 3 HA3 GLY 19 HA3 GLY 19 20.947 3.834 1.708 No H/Q in entry = 3 In of MODEL 10 1 H LYS 20 H LYS 20 18.537 5.318 0.535 2 HA LYS 20 HA LYS 20 18.954 7.847 1.956 3 HB2 LYS 20 HB2 LYS 20 19.120 7.931 -0.626 4 HB3 LYS 20 HB3 LYS 20 17.396 7.611 -0.608 5 HG2 LYS 20 HG2 LYS 20 17.602 9.925 -0.833 6 HG3 LYS 20 HG3 LYS 20 17.150 9.656 0.852 7 HD2 LYS 20 HD2 LYS 20 19.524 9.870 1.495 8 HD3 LYS 20 HD3 LYS 20 19.932 10.207 -0.189 9 HE2 LYS 20 HE2 LYS 20 18.184 11.873 1.629 10 HE3 LYS 20 HE3 LYS 20 19.794 12.288 1.038 11 HZ1 LYS 20 HZ1 LYS 20 18.842 12.232 -1.249 12 HZ2 LYS 20 HZ2 LYS 20 17.298 12.051 -0.560 13 HZ3 LYS 20 HZ3 LYS 20 18.200 13.455 -0.260 No H/Q in entry = 13 In of MODEL 10 1 H SER 21 H SER 21 17.148 8.583 3.035 2 HA SER 21 HA SER 21 15.178 6.562 3.613 3 HB2 SER 21 HB2 SER 21 15.581 9.358 4.653 4 HB3 SER 21 HB3 SER 21 14.375 8.231 5.272 5 HG SER 21 HG SER 21 16.329 6.780 5.531 No H/Q in entry = 5 In of MODEL 10 1 H ASN 22 H ASN 22 13.081 6.567 3.072 2 HA ASN 22 HA ASN 22 12.145 8.638 1.193 3 HB2 ASN 22 HB2 ASN 22 13.208 6.389 0.171 4 HB3 ASN 22 HB3 ASN 22 11.633 5.740 0.608 5 HD21 ASN 22 HD21 ASN 22 12.084 9.071 -0.467 6 HD22 ASN 22 HD22 ASN 22 11.297 8.856 -1.989 No H/Q in entry = 6 In of MODEL 10 1 H PHE 23 H PHE 23 9.728 7.912 0.554 2 HA PHE 23 HA PHE 23 8.387 6.931 2.983 3 HB2 PHE 23 HB2 PHE 23 7.678 9.318 1.286 4 HB3 PHE 23 HB3 PHE 23 6.489 8.511 2.295 5 HD1 PHE 23 HD1 PHE 23 9.838 10.152 2.506 6 HD2 PHE 23 HD2 PHE 23 6.145 9.247 4.413 7 HE1 PHE 23 HE1 PHE 23 10.456 11.618 4.383 8 HE2 PHE 23 HE2 PHE 23 6.752 10.704 6.298 9 HZ PHE 23 HZ PHE 23 8.915 11.876 6.293 No H/Q in entry = 9 In of MODEL 10 1 H LEU 24 H LEU 24 7.370 5.094 2.467 2 HA LEU 24 HA LEU 24 6.767 4.400 -0.273 3 HB2 LEU 24 HB2 LEU 24 7.204 2.996 2.050 4 HB3 LEU 24 HB3 LEU 24 5.477 2.809 1.827 5 HG LEU 24 HG LEU 24 7.699 1.887 -0.019 6 HD11 LEU 24 HD11 LEU 24 7.167 0.435 1.888 7 HD12 LEU 24 HD12 LEU 24 5.477 0.402 1.382 8 HD13 LEU 24 HD13 LEU 24 6.718 -0.312 0.353 9 HD21 LEU 24 HD21 LEU 24 4.736 2.001 -0.575 10 HD22 LEU 24 HD22 LEU 24 6.045 2.721 -1.518 11 HD23 LEU 24 HD23 LEU 24 5.862 0.970 -1.457 No H/Q in entry = 11 In of MODEL 10 1 H ASN 25 H ASN 25 4.606 3.914 -1.004 2 HA ASN 25 HA ASN 25 2.453 5.069 0.587 3 HB2 ASN 25 HB2 ASN 25 3.092 6.948 -0.756 4 HB3 ASN 25 HB3 ASN 25 3.215 5.954 -2.204 5 HD21 ASN 25 HD21 ASN 25 1.364 5.366 -3.291 6 HD22 ASN 25 HD22 ASN 25 -0.162 6.120 -2.995 No H/Q in entry = 6 In of MODEL 10 1 H CYS 26 H CYS 26 0.723 3.778 0.557 2 HA CYS 26 HA CYS 26 0.331 1.967 -1.724 3 HB2 CYS 26 HB2 CYS 26 1.374 0.943 0.421 4 HB3 CYS 26 HB3 CYS 26 -0.256 1.094 1.088 No H/Q in entry = 4 In of MODEL 10 1 H TYR 27 H TYR 27 -1.615 2.170 -2.583 2 HA TYR 27 HA TYR 27 -3.717 3.529 -1.017 3 HB2 TYR 27 HB2 TYR 27 -2.667 4.020 -3.744 4 HB3 TYR 27 HB3 TYR 27 -4.416 4.032 -3.597 5 HD1 TYR 27 HD1 TYR 27 -1.308 5.726 -2.620 6 HD2 TYR 27 HD2 TYR 27 -5.550 5.834 -2.456 7 HE1 TYR 27 HE1 TYR 27 -1.220 8.094 -1.980 8 HE2 TYR 27 HE2 TYR 27 -5.472 8.202 -1.796 9 HH TYR 27 HH TYR 27 -3.919 9.796 -0.781 No H/Q in entry = 9 In of MODEL 10 1 H VAL 28 H VAL 28 -5.200 2.029 -0.538 2 HA VAL 28 HA VAL 28 -6.046 0.263 -2.737 3 HB VAL 28 HB VAL 28 -6.580 -0.390 0.151 4 HG11 VAL 28 HG11 VAL 28 -6.382 -2.038 -2.362 5 HG12 VAL 28 HG12 VAL 28 -6.715 -2.677 -0.751 6 HG13 VAL 28 HG13 VAL 28 -7.865 -1.588 -1.523 7 HG21 VAL 28 HG21 VAL 28 -4.120 -1.097 -1.441 8 HG22 VAL 28 HG22 VAL 28 -4.187 -0.193 0.074 9 HG23 VAL 28 HG23 VAL 28 -4.602 -1.911 0.049 No H/Q in entry = 9 In of MODEL 10 1 H SER 29 H SER 29 -7.897 0.933 -3.571 2 HA SER 29 HA SER 29 -10.049 1.834 -1.833 3 HB2 SER 29 HB2 SER 29 -8.656 3.850 -2.394 4 HB3 SER 29 HB3 SER 29 -9.055 3.585 -4.089 5 HG SER 29 HG SER 29 -10.769 4.322 -1.956 No H/Q in entry = 5 In of MODEL 10 1 H GLY 30 H GLY 30 -11.925 2.635 -3.446 2 HA2 GLY 30 HA2 GLY 30 -12.116 0.923 -5.788 3 HA3 GLY 30 HA3 GLY 30 -13.281 2.142 -5.282 No H/Q in entry = 3 In of MODEL 10 1 H PHE 31 H PHE 31 -13.186 0.981 -2.495 2 HA PHE 31 HA PHE 31 -14.845 -1.392 -3.025 3 HB2 PHE 31 HB2 PHE 31 -13.822 -2.482 -1.083 4 HB3 PHE 31 HB3 PHE 31 -12.576 -2.020 -2.260 5 HD1 PHE 31 HD1 PHE 31 -11.048 -0.200 -1.810 6 HD2 PHE 31 HD2 PHE 31 -13.965 -1.353 1.061 7 HE1 PHE 31 HE1 PHE 31 -9.876 1.110 -0.093 8 HE2 PHE 31 HE2 PHE 31 -12.791 -0.052 2.782 9 HZ PHE 31 HZ PHE 31 -10.750 1.191 2.203 No H/Q in entry = 9 In of MODEL 10 1 H HIS 32 H HIS 32 -15.768 -2.103 -0.736 2 HA HIS 32 HA HIS 32 -16.601 0.187 0.888 3 HB2 HIS 32 HB2 HIS 32 -18.648 -1.875 -0.078 4 HB3 HIS 32 HB3 HIS 32 -18.931 -0.586 1.075 5 HD2 HIS 32 HD2 HIS 32 -18.529 2.069 -0.135 6 HE1 HIS 32 HE1 HIS 32 -19.913 0.587 -3.845 7 HE2 HIS 32 HE2 HIS 32 -19.692 2.641 -2.376 No H/Q in entry = 7 In of MODEL 10 1 HA PRO 33 HA PRO 33 -18.704 -0.259 2.729 2 HB2 PRO 33 HB2 PRO 33 -17.593 0.023 5.440 3 HB3 PRO 33 HB3 PRO 33 -19.244 -0.349 4.933 4 HG2 PRO 33 HG2 PRO 33 -17.657 -2.200 6.057 5 HG3 PRO 33 HG3 PRO 33 -18.828 -2.618 4.793 6 HD2 PRO 33 HD2 PRO 33 -15.867 -2.232 4.588 7 HD3 PRO 33 HD3 PRO 33 -16.901 -3.459 3.816 No H/Q in entry = 7 In of MODEL 10 1 H SER 34 H SER 34 -15.944 0.586 4.897 2 HA SER 34 HA SER 34 -14.956 2.515 2.984 3 HB2 SER 34 HB2 SER 34 -15.899 3.302 5.761 4 HB3 SER 34 HB3 SER 34 -15.033 4.349 4.640 5 HG SER 34 HG SER 34 -17.162 3.295 3.405 No H/Q in entry = 5 In of MODEL 10 1 H ASP 35 H ASP 35 -14.236 -0.035 4.403 2 HA ASP 35 HA ASP 35 -11.663 0.839 5.459 3 HB2 ASP 35 HB2 ASP 35 -11.829 -0.257 7.539 4 HB3 ASP 35 HB3 ASP 35 -13.395 0.535 7.374 No H/Q in entry = 4 In of MODEL 10 1 H ILE 36 H ILE 36 -10.048 -0.451 4.863 2 HA ILE 36 HA ILE 36 -10.512 -3.308 4.416 3 HB ILE 36 HB ILE 36 -10.425 -2.086 2.147 4 HG12 ILE 36 HG12 ILE 36 -8.681 -4.355 3.014 5 HG13 ILE 36 HG13 ILE 36 -10.079 -4.370 1.946 6 HG21 ILE 36 HG21 ILE 36 -7.562 -1.747 3.033 7 HG22 ILE 36 HG22 ILE 36 -8.120 -1.536 1.372 8 HG23 ILE 36 HG23 ILE 36 -8.702 -0.457 2.637 9 HD11 ILE 36 HD11 ILE 36 -7.381 -3.248 1.220 10 HD12 ILE 36 HD12 ILE 36 -7.939 -4.869 0.809 11 HD13 ILE 36 HD13 ILE 36 -8.765 -3.459 0.143 No H/Q in entry = 11 In of MODEL 10 1 H GLU 37 H GLU 37 -8.516 -4.557 4.830 2 HA GLU 37 HA GLU 37 -6.558 -3.004 6.325 3 HB2 GLU 37 HB2 GLU 37 -7.753 -4.965 7.397 4 HB3 GLU 37 HB3 GLU 37 -6.985 -5.994 6.204 5 HG2 GLU 37 HG2 GLU 37 -5.113 -4.343 7.736 6 HG3 GLU 37 HG3 GLU 37 -6.024 -5.509 8.686 No H/Q in entry = 6 In of MODEL 10 1 H VAL 38 H VAL 38 -4.600 -2.766 5.521 2 HA VAL 38 HA VAL 38 -3.610 -4.602 3.515 3 HB VAL 38 HB VAL 38 -3.947 -3.210 1.816 4 HG11 VAL 38 HG11 VAL 38 -4.487 -1.039 3.815 5 HG12 VAL 38 HG12 VAL 38 -4.710 -0.883 2.072 6 HG13 VAL 38 HG13 VAL 38 -5.664 -2.056 2.980 7 HG21 VAL 38 HG21 VAL 38 -1.935 -1.419 3.182 8 HG22 VAL 38 HG22 VAL 38 -1.580 -2.726 2.059 9 HG23 VAL 38 HG23 VAL 38 -2.433 -1.285 1.491 No H/Q in entry = 9 In of MODEL 10 1 H ASP 39 H ASP 39 -1.530 -5.018 3.675 2 HA ASP 39 HA ASP 39 -0.025 -3.578 5.745 3 HB2 ASP 39 HB2 ASP 39 0.087 -5.409 7.033 4 HB3 ASP 39 HB3 ASP 39 -1.038 -6.195 5.944 No H/Q in entry = 4 In of MODEL 10 1 H LEU 40 H LEU 40 2.175 -3.431 5.445 2 HA LEU 40 HA LEU 40 2.949 -3.716 2.644 3 HB2 LEU 40 HB2 LEU 40 4.403 -2.211 4.805 4 HB3 LEU 40 HB3 LEU 40 4.655 -2.095 3.076 5 HG LEU 40 HG LEU 40 2.239 -1.131 4.595 6 HD11 LEU 40 HD11 LEU 40 4.492 0.321 3.224 7 HD12 LEU 40 HD12 LEU 40 3.031 1.087 3.849 8 HD13 LEU 40 HD13 LEU 40 4.146 0.280 4.955 9 HD21 LEU 40 HD21 LEU 40 2.843 -1.105 1.648 10 HD22 LEU 40 HD22 LEU 40 1.471 -1.861 2.463 11 HD23 LEU 40 HD23 LEU 40 1.609 -0.099 2.412 No H/Q in entry = 11 In of MODEL 10 1 H LEU 41 H LEU 41 4.721 -4.848 2.019 2 HA LEU 41 HA LEU 41 5.808 -6.658 4.052 3 HB2 LEU 41 HB2 LEU 41 5.745 -7.189 1.119 4 HB3 LEU 41 HB3 LEU 41 6.013 -8.324 2.410 5 HG LEU 41 HG LEU 41 3.397 -6.948 1.856 6 HD11 LEU 41 HD11 LEU 41 4.319 -9.759 1.289 7 HD12 LEU 41 HD12 LEU 41 2.671 -9.164 1.092 8 HD13 LEU 41 HD13 LEU 41 3.968 -8.508 0.096 9 HD21 LEU 41 HD21 LEU 41 4.125 -9.153 3.777 10 HD22 LEU 41 HD22 LEU 41 3.709 -7.493 4.209 11 HD23 LEU 41 HD23 LEU 41 2.498 -8.544 3.474 No H/Q in entry = 11 In of MODEL 10 1 H LYS 42 H LYS 42 7.773 -7.754 3.190 2 HA LYS 42 HA LYS 42 9.698 -6.059 1.867 3 HB2 LYS 42 HB2 LYS 42 10.199 -7.011 4.689 4 HB3 LYS 42 HB3 LYS 42 11.371 -6.212 3.648 5 HG2 LYS 42 HG2 LYS 42 9.686 -4.255 3.513 6 HG3 LYS 42 HG3 LYS 42 8.849 -5.069 4.800 7 HD2 LYS 42 HD2 LYS 42 11.782 -4.471 5.185 8 HD3 LYS 42 HD3 LYS 42 10.572 -3.199 5.407 9 HE2 LYS 42 HE2 LYS 42 9.411 -4.612 7.043 10 HE3 LYS 42 HE3 LYS 42 10.649 -5.850 6.837 11 HZ1 LYS 42 HZ1 LYS 42 11.195 -3.082 7.770 12 HZ2 LYS 42 HZ2 LYS 42 11.005 -4.415 8.797 13 HZ3 LYS 42 HZ3 LYS 42 12.298 -4.365 7.700 No H/Q in entry = 13 In of MODEL 10 1 H ASN 43 H ASN 43 10.042 -7.446 0.361 2 HA ASN 43 HA ASN 43 10.788 -9.237 -0.806 3 HB2 ASN 43 HB2 ASN 43 12.174 -9.565 1.760 4 HB3 ASN 43 HB3 ASN 43 11.966 -11.065 0.862 5 HD21 ASN 43 HD21 ASN 43 13.532 -7.990 0.992 6 HD22 ASN 43 HD22 ASN 43 14.594 -8.251 -0.355 No H/Q in entry = 6 In of MODEL 10 1 H GLY 44 H GLY 44 8.717 -9.570 1.830 2 HA2 GLY 44 HA2 GLY 44 7.921 -12.302 1.220 3 HA3 GLY 44 HA3 GLY 44 6.754 -11.038 0.839 No H/Q in entry = 3 In of MODEL 10 1 H GLU 45 H GLU 45 8.402 -9.887 3.368 2 HA GLU 45 HA GLU 45 6.862 -11.332 5.397 3 HB2 GLU 45 HB2 GLU 45 9.414 -9.793 5.699 4 HB3 GLU 45 HB3 GLU 45 8.716 -10.929 6.854 5 HG2 GLU 45 HG2 GLU 45 9.755 -11.590 4.117 6 HG3 GLU 45 HG3 GLU 45 10.595 -11.866 5.618 No H/Q in entry = 6 In of MODEL 10 1 H ARG 46 H ARG 46 5.846 -10.147 7.021 2 HA ARG 46 HA ARG 46 4.709 -7.729 6.148 3 HB2 ARG 46 HB2 ARG 46 3.492 -9.360 7.472 4 HB3 ARG 46 HB3 ARG 46 4.600 -9.138 8.810 5 HG2 ARG 46 HG2 ARG 46 3.686 -7.135 9.395 6 HG3 ARG 46 HG3 ARG 46 3.025 -6.845 7.767 7 HD2 ARG 46 HD2 ARG 46 2.042 -8.895 9.768 8 HD3 ARG 46 HD3 ARG 46 1.156 -7.502 9.164 9 HE ARG 46 HE ARG 46 1.381 -8.643 6.910 10 HH11 ARG 46 HH11 ARG 46 1.099 -10.340 9.971 11 HH12 ARG 46 HH12 ARG 46 0.333 -11.735 9.263 12 HH21 ARG 46 HH21 ARG 46 0.393 -10.470 5.994 13 HH22 ARG 46 HH22 ARG 46 -0.023 -11.829 6.993 No H/Q in entry = 13 In of MODEL 10 1 H ILE 47 H ILE 47 4.978 -5.643 6.724 2 HA ILE 47 HA ILE 47 7.226 -4.911 8.449 3 HB ILE 47 HB ILE 47 5.391 -3.107 6.847 4 HG12 ILE 47 HG12 ILE 47 8.217 -3.918 6.196 5 HG13 ILE 47 HG13 ILE 47 6.801 -4.577 5.385 6 HG21 ILE 47 HG21 ILE 47 6.410 -1.996 8.753 7 HG22 ILE 47 HG22 ILE 47 8.006 -2.544 8.244 8 HG23 ILE 47 HG23 ILE 47 7.108 -1.396 7.248 9 HD11 ILE 47 HD11 ILE 47 6.415 -1.880 5.140 10 HD12 ILE 47 HD12 ILE 47 8.165 -2.025 5.017 11 HD13 ILE 47 HD13 ILE 47 7.125 -2.921 3.906 No H/Q in entry = 11 In of MODEL 10 1 H GLU 48 H GLU 48 6.912 -3.893 10.399 2 HA GLU 48 HA GLU 48 4.131 -3.825 11.314 3 HB2 GLU 48 HB2 GLU 48 5.483 -3.603 13.610 4 HB3 GLU 48 HB3 GLU 48 5.065 -5.135 12.893 5 HG2 GLU 48 HG2 GLU 48 7.228 -5.453 13.397 6 HG3 GLU 48 HG3 GLU 48 7.374 -4.837 11.768 No H/Q in entry = 6 In of MODEL 10 1 H LYS 49 H LYS 49 7.041 -1.806 11.220 2 HA LYS 49 HA LYS 49 5.984 0.427 12.475 3 HB2 LYS 49 HB2 LYS 49 8.088 0.339 10.314 4 HB3 LYS 49 HB3 LYS 49 7.877 1.601 11.528 5 HG2 LYS 49 HG2 LYS 49 8.138 -1.099 12.606 6 HG3 LYS 49 HG3 LYS 49 9.562 -0.511 11.763 7 HD2 LYS 49 HD2 LYS 49 9.827 1.275 13.247 8 HD3 LYS 49 HD3 LYS 49 8.159 1.162 13.815 9 HE2 LYS 49 HE2 LYS 49 9.866 0.323 15.435 10 HE3 LYS 49 HE3 LYS 49 8.620 -0.847 15.006 11 HZ1 LYS 49 HZ1 LYS 49 11.339 -0.745 13.815 12 HZ2 LYS 49 HZ2 LYS 49 10.854 -1.808 15.046 13 HZ3 LYS 49 HZ3 LYS 49 10.147 -1.915 13.505 No H/Q in entry = 13 In of MODEL 10 1 H VAL 50 H VAL 50 4.659 -0.824 9.801 2 HA VAL 50 HA VAL 50 4.160 1.430 8.182 3 HB VAL 50 HB VAL 50 2.424 -0.997 8.663 4 HG11 VAL 50 HG11 VAL 50 1.181 0.891 7.674 5 HG12 VAL 50 HG12 VAL 50 2.379 0.975 6.376 6 HG13 VAL 50 HG13 VAL 50 1.363 -0.456 6.541 7 HG21 VAL 50 HG21 VAL 50 4.507 -0.425 6.568 8 HG22 VAL 50 HG22 VAL 50 4.615 -1.611 7.868 9 HG23 VAL 50 HG23 VAL 50 3.435 -1.819 6.581 No H/Q in entry = 9 In of MODEL 10 1 H GLU 51 H GLU 51 2.591 2.981 8.253 2 HA GLU 51 HA GLU 51 0.628 2.838 10.430 3 HB2 GLU 51 HB2 GLU 51 2.094 5.355 9.629 4 HB3 GLU 51 HB3 GLU 51 0.878 5.203 10.891 5 HG2 GLU 51 HG2 GLU 51 2.381 3.723 12.136 6 HG3 GLU 51 HG3 GLU 51 3.608 3.947 10.889 No H/Q in entry = 6 In of MODEL 10 1 H HIS 52 H HIS 52 -1.316 3.802 10.006 2 HA HIS 52 HA HIS 52 -1.724 4.774 7.259 3 HB2 HIS 52 HB2 HIS 52 -4.117 4.171 7.502 4 HB3 HIS 52 HB3 HIS 52 -3.041 2.786 7.575 5 HD2 HIS 52 HD2 HIS 52 -2.655 1.845 10.357 6 HE1 HIS 52 HE1 HIS 52 -6.449 3.358 11.455 7 HE2 HIS 52 HE2 HIS 52 -4.491 1.934 12.189 No H/Q in entry = 7 In of MODEL 10 1 H SER 53 H SER 53 -2.219 6.817 7.017 2 HA SER 53 HA SER 53 -2.587 8.433 9.419 3 HB2 SER 53 HB2 SER 53 -0.776 8.918 7.719 4 HB3 SER 53 HB3 SER 53 -2.053 9.382 6.597 5 HG SER 53 HG SER 53 -1.877 10.543 9.167 No H/Q in entry = 5 In of MODEL 10 1 H ASP 54 H ASP 54 -3.763 10.684 8.178 2 HA ASP 54 HA ASP 54 -6.415 10.423 8.672 3 HB2 ASP 54 HB2 ASP 54 -5.465 12.594 8.306 4 HB3 ASP 54 HB3 ASP 54 -5.068 12.201 6.637 No H/Q in entry = 4 In of MODEL 10 1 H LEU 55 H LEU 55 -7.881 9.133 7.955 2 HA LEU 55 HA LEU 55 -7.756 7.288 5.989 3 HB2 LEU 55 HB2 LEU 55 -9.529 7.658 7.801 4 HB3 LEU 55 HB3 LEU 55 -10.341 8.690 6.645 5 HG LEU 55 HG LEU 55 -11.178 6.290 6.906 6 HD11 LEU 55 HD11 LEU 55 -11.889 7.725 5.083 7 HD12 LEU 55 HD12 LEU 55 -10.459 7.274 4.152 8 HD13 LEU 55 HD13 LEU 55 -11.683 6.063 4.533 9 HD21 LEU 55 HD21 LEU 55 -9.021 5.180 6.905 10 HD22 LEU 55 HD22 LEU 55 -10.022 4.602 5.571 11 HD23 LEU 55 HD23 LEU 55 -8.712 5.744 5.262 No H/Q in entry = 11 In of MODEL 10 1 H SER 56 H SER 56 -10.032 9.911 5.443 2 HA SER 56 HA SER 56 -8.843 11.279 3.394 3 HB2 SER 56 HB2 SER 56 -10.172 10.360 1.380 4 HB3 SER 56 HB3 SER 56 -8.839 9.344 1.941 5 HG SER 56 HG SER 56 -10.219 7.893 2.672 No H/Q in entry = 5 In of MODEL 10 1 H PHE 57 H PHE 57 -10.499 12.604 2.150 2 HA PHE 57 HA PHE 57 -13.042 12.698 3.627 3 HB2 PHE 57 HB2 PHE 57 -13.319 14.968 3.002 4 HB3 PHE 57 HB3 PHE 57 -11.645 14.824 3.509 5 HD1 PHE 57 HD1 PHE 57 -13.914 15.546 0.793 6 HD2 PHE 57 HD2 PHE 57 -9.838 14.896 1.821 7 HE1 PHE 57 HE1 PHE 57 -13.228 16.557 -1.338 8 HE2 PHE 57 HE2 PHE 57 -9.137 15.905 -0.311 9 HZ PHE 57 HZ PHE 57 -10.832 16.739 -1.892 No H/Q in entry = 9 In of MODEL 10 1 H SER 58 H SER 58 -14.878 12.189 2.631 2 HA SER 58 HA SER 58 -14.727 10.972 0.038 3 HB2 SER 58 HB2 SER 58 -16.146 10.057 1.849 4 HB3 SER 58 HB3 SER 58 -17.132 11.517 1.802 5 HG SER 58 HG SER 58 -18.230 10.248 0.481 No H/Q in entry = 5 In of MODEL 10 1 H LYS 59 H LYS 59 -16.572 11.545 -1.581 2 HA LYS 59 HA LYS 59 -17.231 14.313 -1.737 3 HB2 LYS 59 HB2 LYS 59 -14.827 14.326 -2.449 4 HB3 LYS 59 HB3 LYS 59 -15.267 13.270 -3.786 5 HG2 LYS 59 HG2 LYS 59 -15.112 15.577 -4.522 6 HG3 LYS 59 HG3 LYS 59 -16.772 14.987 -4.651 7 HD2 LYS 59 HD2 LYS 59 -17.283 16.074 -2.485 8 HD3 LYS 59 HD3 LYS 59 -15.645 16.726 -2.452 9 HE2 LYS 59 HE2 LYS 59 -17.793 17.330 -4.489 10 HE3 LYS 59 HE3 LYS 59 -17.199 18.409 -3.233 11 HZ1 LYS 59 HZ1 LYS 59 -14.989 18.292 -4.313 12 HZ2 LYS 59 HZ2 LYS 59 -15.688 17.414 -5.585 13 HZ3 LYS 59 HZ3 LYS 59 -16.185 19.005 -5.278 No H/Q in entry = 13 In of MODEL 10 1 H ASP 60 H ASP 60 -16.511 11.872 -4.257 2 HA ASP 60 HA ASP 60 -19.405 11.625 -4.726 3 HB2 ASP 60 HB2 ASP 60 -18.362 13.266 -6.330 4 HB3 ASP 60 HB3 ASP 60 -17.375 11.946 -6.946 No H/Q in entry = 4 In of MODEL 10 1 H TRP 61 H TRP 61 -16.193 10.360 -5.628 2 HA TRP 61 HA TRP 61 -17.393 8.013 -6.756 3 HB2 TRP 61 HB2 TRP 61 -14.471 8.692 -6.396 4 HB3 TRP 61 HB3 TRP 61 -15.113 7.387 -7.391 5 HD1 TRP 61 HD1 TRP 61 -14.212 10.994 -7.527 6 HE1 TRP 61 HE1 TRP 61 -14.904 12.005 -9.788 7 HE3 TRP 61 HE3 TRP 61 -17.133 7.173 -9.256 8 HZ2 TRP 61 HZ2 TRP 61 -16.475 11.278 -12.008 9 HZ3 TRP 61 HZ3 TRP 61 -18.202 7.396 -11.452 10 HH2 TRP 61 HH2 TRP 61 -17.875 9.436 -12.819 No H/Q in entry = 10 In of MODEL 10 1 H SER 62 H SER 62 -14.604 8.065 -4.537 2 HA SER 62 HA SER 62 -15.849 5.962 -2.951 3 HB2 SER 62 HB2 SER 62 -13.358 5.576 -4.634 4 HB3 SER 62 HB3 SER 62 -13.804 4.485 -3.314 5 HG SER 62 HG SER 62 -15.888 4.955 -5.010 No H/Q in entry = 5 In of MODEL 10 1 H PHE 63 H PHE 63 -14.570 5.361 -1.074 2 HA PHE 63 HA PHE 63 -13.144 7.638 0.040 3 HB2 PHE 63 HB2 PHE 63 -13.659 4.995 1.417 4 HB3 PHE 63 HB3 PHE 63 -13.372 6.560 2.158 5 HD1 PHE 63 HD1 PHE 63 -15.178 8.075 2.581 6 HD2 PHE 63 HD2 PHE 63 -15.838 4.496 0.364 7 HE1 PHE 63 HE1 PHE 63 -17.620 8.369 2.833 8 HE2 PHE 63 HE2 PHE 63 -18.271 4.792 0.600 9 HZ PHE 63 HZ PHE 63 -19.158 6.726 1.834 No H/Q in entry = 9 In of MODEL 10 1 H TYR 64 H TYR 64 -10.995 7.651 0.541 2 HA TYR 64 HA TYR 64 -9.428 5.468 -0.648 3 HB2 TYR 64 HB2 TYR 64 -8.612 8.311 0.042 4 HB3 TYR 64 HB3 TYR 64 -7.595 7.133 -0.779 5 HD1 TYR 64 HD1 TYR 64 -7.797 6.758 -3.128 6 HD2 TYR 64 HD2 TYR 64 -10.607 9.249 -1.123 7 HE1 TYR 64 HE1 TYR 64 -8.646 7.549 -5.302 8 HE2 TYR 64 HE2 TYR 64 -11.461 10.036 -3.289 9 HH TYR 64 HH TYR 64 -10.525 10.245 -5.666 No H/Q in entry = 9 In of MODEL 10 1 H LEU 65 H LEU 65 -7.752 4.480 0.526 2 HA LEU 65 HA LEU 65 -7.260 5.471 3.230 3 HB2 LEU 65 HB2 LEU 65 -8.792 3.749 3.670 4 HB3 LEU 65 HB3 LEU 65 -8.111 2.702 2.439 5 HG LEU 65 HG LEU 65 -6.328 3.328 4.721 6 HD11 LEU 65 HD11 LEU 65 -8.663 3.060 5.675 7 HD12 LEU 65 HD12 LEU 65 -8.608 1.405 5.069 8 HD13 LEU 65 HD13 LEU 65 -7.438 1.944 6.272 9 HD21 LEU 65 HD21 LEU 65 -5.716 1.793 2.901 10 HD22 LEU 65 HD22 LEU 65 -5.806 0.965 4.456 11 HD23 LEU 65 HD23 LEU 65 -7.117 0.793 3.290 No H/Q in entry = 11 In of MODEL 10 1 H LEU 66 H LEU 66 -5.184 5.491 3.788 2 HA LEU 66 HA LEU 66 -3.289 4.568 1.739 3 HB2 LEU 66 HB2 LEU 66 -3.819 7.106 2.227 4 HB3 LEU 66 HB3 LEU 66 -2.732 6.857 3.563 5 HG LEU 66 HG LEU 66 -2.046 6.501 0.665 6 HD11 LEU 66 HD11 LEU 66 -1.290 8.644 2.642 7 HD12 LEU 66 HD12 LEU 66 -0.622 8.485 1.020 8 HD13 LEU 66 HD13 LEU 66 -2.338 8.834 1.236 9 HD21 LEU 66 HD21 LEU 66 -0.271 6.311 3.081 10 HD22 LEU 66 HD22 LEU 66 -0.753 4.974 2.041 11 HD23 LEU 66 HD23 LEU 66 0.266 6.267 1.402 No H/Q in entry = 11 In of MODEL 10 1 H TYR 67 H TYR 67 -1.751 3.226 2.390 2 HA TYR 67 HA TYR 67 -1.003 3.117 5.238 3 HB2 TYR 67 HB2 TYR 67 -1.618 0.940 3.325 4 HB3 TYR 67 HB3 TYR 67 -0.261 0.684 4.413 5 HD1 TYR 67 HD1 TYR 67 -3.881 0.850 4.127 6 HD2 TYR 67 HD2 TYR 67 -0.624 0.591 6.857 7 HE1 TYR 67 HE1 TYR 67 -5.396 0.030 5.861 8 HE2 TYR 67 HE2 TYR 67 -2.155 -0.214 8.609 9 HH TYR 67 HH TYR 67 -4.580 -0.094 9.124 No H/Q in entry = 9 In of MODEL 10 1 H TYR 68 H TYR 68 1.010 3.741 5.597 2 HA TYR 68 HA TYR 68 3.005 3.316 3.476 3 HB2 TYR 68 HB2 TYR 68 3.825 5.624 3.670 4 HB3 TYR 68 HB3 TYR 68 2.135 5.596 3.157 5 HD1 TYR 68 HD1 TYR 68 0.394 6.453 4.580 6 HD2 TYR 68 HD2 TYR 68 4.438 6.427 5.892 7 HE1 TYR 68 HE1 TYR 68 -0.196 8.000 6.392 8 HE2 TYR 68 HE2 TYR 68 3.862 7.966 7.721 9 HH TYR 68 HH TYR 68 2.098 9.668 8.209 No H/Q in entry = 9 In of MODEL 10 1 H THR 69 H THR 69 5.227 3.747 4.180 2 HA THR 69 HA THR 69 5.696 3.771 7.052 3 HB THR 69 HB THR 69 5.502 1.357 6.559 4 HG1 THR 69 HG1 THR 69 8.174 2.208 7.091 5 HG21 THR 69 HG21 THR 69 7.715 1.908 4.584 6 HG22 THR 69 HG22 THR 69 7.335 0.296 5.188 7 HG23 THR 69 HG23 THR 69 6.129 1.197 4.264 No H/Q in entry = 7 In of MODEL 10 1 H GLU 70 H GLU 70 7.683 4.602 7.598 2 HA GLU 70 HA GLU 70 9.152 5.913 5.450 3 HB2 GLU 70 HB2 GLU 70 8.505 7.078 7.606 4 HB3 GLU 70 HB3 GLU 70 9.614 6.011 8.454 5 HG2 GLU 70 HG2 GLU 70 10.519 7.812 6.237 6 HG3 GLU 70 HG3 GLU 70 10.404 8.357 7.906 No H/Q in entry = 6 In of MODEL 10 1 H PHE 71 H PHE 71 11.127 5.204 4.720 2 HA PHE 71 HA PHE 71 12.412 2.982 6.032 3 HB2 PHE 71 HB2 PHE 71 12.169 1.412 4.176 4 HB3 PHE 71 HB3 PHE 71 10.591 1.860 4.808 5 HD1 PHE 71 HD1 PHE 71 11.420 0.650 2.084 6 HD2 PHE 71 HD2 PHE 71 10.495 4.595 3.353 7 HE1 PHE 71 HE1 PHE 71 10.684 1.196 -0.198 8 HE2 PHE 71 HE2 PHE 71 9.767 5.157 1.074 9 HZ PHE 71 HZ PHE 71 9.868 3.469 -0.719 No H/Q in entry = 9 In of MODEL 10 1 H THR 72 H THR 72 14.414 2.327 4.912 2 HA THR 72 HA THR 72 15.410 4.378 3.051 3 HB THR 72 HB THR 72 17.017 2.869 5.128 4 HG1 THR 72 HG1 THR 72 15.656 4.616 5.930 5 HG21 THR 72 HG21 THR 72 18.300 3.356 3.074 6 HG22 THR 72 HG22 THR 72 17.872 5.062 3.224 7 HG23 THR 72 HG23 THR 72 18.878 4.292 4.454 No H/Q in entry = 7 In of MODEL 10 1 HA PRO 73 HA PRO 73 15.209 0.467 0.569 2 HB2 PRO 73 HB2 PRO 73 15.865 2.002 -1.716 3 HB3 PRO 73 HB3 PRO 73 14.248 1.483 -1.222 4 HG2 PRO 73 HG2 PRO 73 15.632 4.086 -0.776 5 HG3 PRO 73 HG3 PRO 73 13.916 3.774 -1.105 6 HD2 PRO 73 HD2 PRO 73 14.733 4.395 1.351 7 HD3 PRO 73 HD3 PRO 73 13.487 3.144 1.105 No H/Q in entry = 7 In of MODEL 10 1 H THR 74 H THR 74 16.739 -0.794 -0.227 2 HA THR 74 HA THR 74 19.492 0.218 -0.397 3 HB THR 74 HB THR 74 20.360 -1.769 0.643 4 HG1 THR 74 HG1 THR 74 17.685 -2.672 0.444 5 HG21 THR 74 HG21 THR 74 19.557 -0.023 2.190 6 HG22 THR 74 HG22 THR 74 17.999 -0.846 2.271 7 HG23 THR 74 HG23 THR 74 19.444 -1.641 2.891 No H/Q in entry = 7 In of MODEL 10 1 H GLU 75 H GLU 75 20.747 -2.024 -1.397 2 HA GLU 75 HA GLU 75 19.633 -2.050 -4.082 3 HB2 GLU 75 HB2 GLU 75 22.172 -1.945 -3.228 4 HB3 GLU 75 HB3 GLU 75 22.013 -3.679 -3.367 5 HG2 GLU 75 HG2 GLU 75 22.818 -3.141 -5.406 6 HG3 GLU 75 HG3 GLU 75 21.095 -3.077 -5.710 No H/Q in entry = 6 In of MODEL 10 1 H LYS 76 H LYS 76 20.046 -4.120 -1.309 2 HA LYS 76 HA LYS 76 19.452 -6.546 -2.697 3 HB2 LYS 76 HB2 LYS 76 20.300 -5.959 0.132 4 HB3 LYS 76 HB3 LYS 76 19.948 -7.575 -0.462 5 HG2 LYS 76 HG2 LYS 76 22.146 -5.743 -1.399 6 HG3 LYS 76 HG3 LYS 76 22.304 -7.319 -0.598 7 HD2 LYS 76 HD2 LYS 76 21.452 -8.464 -2.458 8 HD3 LYS 76 HD3 LYS 76 20.832 -6.974 -3.170 9 HE2 LYS 76 HE2 LYS 76 23.179 -6.219 -3.498 10 HE3 LYS 76 HE3 LYS 76 23.731 -7.783 -2.894 11 HZ1 LYS 76 HZ1 LYS 76 21.959 -7.439 -5.252 12 HZ2 LYS 76 HZ2 LYS 76 23.640 -7.635 -5.351 13 HZ3 LYS 76 HZ3 LYS 76 22.670 -8.881 -4.723 No H/Q in entry = 13 In of MODEL 10 1 H ASP 77 H ASP 77 17.716 -4.258 -0.703 2 HA ASP 77 HA ASP 77 15.961 -6.434 0.180 3 HB2 ASP 77 HB2 ASP 77 15.090 -4.994 1.886 4 HB3 ASP 77 HB3 ASP 77 16.837 -4.811 1.900 No H/Q in entry = 4 In of MODEL 10 1 H GLU 78 H GLU 78 13.568 -5.733 0.342 2 HA GLU 78 HA GLU 78 12.632 -4.386 -2.054 3 HB2 GLU 78 HB2 GLU 78 13.285 -6.572 -2.917 4 HB3 GLU 78 HB3 GLU 78 12.341 -7.384 -1.677 5 HG2 GLU 78 HG2 GLU 78 11.131 -7.469 -3.738 6 HG3 GLU 78 HG3 GLU 78 10.287 -6.322 -2.689 No H/Q in entry = 6 In of MODEL 10 1 H TYR 79 H TYR 79 10.382 -3.935 -1.949 2 HA TYR 79 HA TYR 79 9.062 -4.930 0.467 3 HB2 TYR 79 HB2 TYR 79 8.491 -2.124 -0.401 4 HB3 TYR 79 HB3 TYR 79 8.349 -2.859 1.197 5 HD1 TYR 79 HD1 TYR 79 9.995 -2.526 2.800 6 HD2 TYR 79 HD2 TYR 79 10.881 -1.685 -1.276 7 HE1 TYR 79 HE1 TYR 79 12.127 -1.489 3.473 8 HE2 TYR 79 HE2 TYR 79 13.013 -0.676 -0.608 9 HH TYR 79 HH TYR 79 14.509 -1.135 2.079 No H/Q in entry = 9 In of MODEL 10 1 H ALA 80 H ALA 80 6.745 -4.802 0.454 2 HA ALA 80 HA ALA 80 5.543 -4.715 -2.224 3 HB1 ALA 80 HB1 ALA 80 6.339 -7.010 -1.997 4 HB2 ALA 80 HB2 ALA 80 4.575 -6.939 -2.033 5 HB3 ALA 80 HB3 ALA 80 5.415 -7.184 -0.502 No H/Q in entry = 5 In of MODEL 10 1 H CYS 81 H CYS 81 3.159 -4.922 -2.162 2 HA CYS 81 HA CYS 81 2.062 -3.932 0.392 3 HB2 CYS 81 HB2 CYS 81 1.512 -3.280 -2.463 4 HB3 CYS 81 HB3 CYS 81 0.144 -3.270 -1.356 No H/Q in entry = 4 In of MODEL 10 1 H ARG 82 H ARG 82 0.497 -5.107 1.360 2 HA ARG 82 HA ARG 82 -0.743 -7.343 -0.132 3 HB2 ARG 82 HB2 ARG 82 0.861 -7.856 1.853 4 HB3 ARG 82 HB3 ARG 82 -0.431 -7.210 2.854 5 HG2 ARG 82 HG2 ARG 82 -1.959 -8.920 2.003 6 HG3 ARG 82 HG3 ARG 82 -0.650 -9.586 1.023 7 HD2 ARG 82 HD2 ARG 82 -0.574 -9.323 4.025 8 HD3 ARG 82 HD3 ARG 82 -0.999 -10.800 3.174 9 HE ARG 82 HE ARG 82 1.584 -9.607 2.571 10 HH11 ARG 82 HH11 ARG 82 -0.253 -12.088 4.219 11 HH12 ARG 82 HH12 ARG 82 1.137 -13.081 4.537 12 HH21 ARG 82 HH21 ARG 82 3.420 -10.924 2.988 13 HH22 ARG 82 HH22 ARG 82 3.225 -12.422 3.844 No H/Q in entry = 13 In of MODEL 10 1 H VAL 83 H VAL 83 -3.001 -7.411 -0.071 2 HA VAL 83 HA VAL 83 -4.302 -5.773 1.998 3 HB VAL 83 HB VAL 83 -5.834 -4.728 0.634 4 HG11 VAL 83 HG11 VAL 83 -3.321 -4.870 -0.980 5 HG12 VAL 83 HG12 VAL 83 -4.591 -3.663 -1.171 6 HG13 VAL 83 HG13 VAL 83 -3.680 -3.758 0.337 7 HG21 VAL 83 HG21 VAL 83 -5.139 -6.631 -1.588 8 HG22 VAL 83 HG22 VAL 83 -6.617 -6.635 -0.625 9 HG23 VAL 83 HG23 VAL 83 -6.272 -5.286 -1.709 No H/Q in entry = 9 In of MODEL 10 1 H ASN 84 H ASN 84 -6.134 -6.521 2.828 2 HA ASN 84 HA ASN 84 -6.985 -9.219 1.988 3 HB2 ASN 84 HB2 ASN 84 -7.165 -7.969 4.751 4 HB3 ASN 84 HB3 ASN 84 -7.640 -9.598 4.341 5 HD21 ASN 84 HD21 ASN 84 -4.924 -7.437 4.755 6 HD22 ASN 84 HD22 ASN 84 -3.723 -8.674 4.936 No H/Q in entry = 6 In of MODEL 10 1 H HIS 85 H HIS 85 -8.982 -9.174 0.972 2 HA HIS 85 HA HIS 85 -11.129 -7.901 2.466 3 HB2 HIS 85 HB2 HIS 85 -10.244 -6.492 0.417 4 HB3 HIS 85 HB3 HIS 85 -11.117 -7.692 -0.527 5 HD2 HIS 85 HD2 HIS 85 -11.962 -5.082 2.318 6 HE1 HIS 85 HE1 HIS 85 -15.341 -5.738 -0.153 7 HE2 HIS 85 HE2 HIS 85 -14.417 -4.400 1.791 No H/Q in entry = 7 In of MODEL 10 1 H VAL 86 H VAL 86 -13.251 -8.842 1.762 2 HA VAL 86 HA VAL 86 -13.002 -11.665 1.641 3 HB VAL 86 HB VAL 86 -14.870 -10.497 2.783 4 HG11 VAL 86 HG11 VAL 86 -15.822 -9.930 -0.021 5 HG12 VAL 86 HG12 VAL 86 -16.795 -9.730 1.436 6 HG13 VAL 86 HG13 VAL 86 -15.352 -8.745 1.198 7 HG21 VAL 86 HG21 VAL 86 -15.049 -12.860 2.227 8 HG22 VAL 86 HG22 VAL 86 -16.620 -12.065 2.120 9 HG23 VAL 86 HG23 VAL 86 -15.723 -12.447 0.650 No H/Q in entry = 9 In of MODEL 10 1 H THR 87 H THR 87 -13.290 -9.223 -0.772 2 HA THR 87 HA THR 87 -14.587 -10.688 -2.797 3 HB THR 87 HB THR 87 -13.629 -8.894 -4.276 4 HG1 THR 87 HG1 THR 87 -12.809 -7.381 -2.133 5 HG21 THR 87 HG21 THR 87 -15.057 -8.096 -1.749 6 HG22 THR 87 HG22 THR 87 -14.808 -6.998 -3.106 7 HG23 THR 87 HG23 THR 87 -15.772 -8.466 -3.318 No H/Q in entry = 7 In of MODEL 10 1 H LEU 88 H LEU 88 -11.217 -10.011 -2.113 2 HA LEU 88 HA LEU 88 -10.185 -11.095 -4.498 3 HB2 LEU 88 HB2 LEU 88 -8.866 -10.592 -1.833 4 HB3 LEU 88 HB3 LEU 88 -7.988 -11.122 -3.256 5 HG LEU 88 HG LEU 88 -9.458 -8.509 -2.897 6 HD11 LEU 88 HD11 LEU 88 -6.543 -9.178 -3.311 7 HD12 LEU 88 HD12 LEU 88 -7.225 -7.545 -3.276 8 HD13 LEU 88 HD13 LEU 88 -7.287 -8.563 -1.828 9 HD21 LEU 88 HD21 LEU 88 -8.096 -9.623 -5.346 10 HD22 LEU 88 HD22 LEU 88 -9.821 -9.310 -5.157 11 HD23 LEU 88 HD23 LEU 88 -8.677 -7.967 -5.164 No H/Q in entry = 11 In of MODEL 10 1 H SER 89 H SER 89 -11.332 -12.601 -1.679 2 HA SER 89 HA SER 89 -11.495 -14.703 -0.908 3 HB2 SER 89 HB2 SER 89 -11.474 -16.572 -2.410 4 HB3 SER 89 HB3 SER 89 -12.192 -15.209 -3.258 5 HG SER 89 HG SER 89 -9.828 -14.941 -3.998 No H/Q in entry = 5 In of MODEL 10 1 H GLN 90 H GLN 90 -8.621 -13.473 -1.998 2 HA GLN 90 HA GLN 90 -7.072 -14.805 -0.002 3 HB2 GLN 90 HB2 GLN 90 -5.342 -15.605 -1.707 4 HB3 GLN 90 HB3 GLN 90 -6.838 -16.541 -1.775 5 HG2 GLN 90 HG2 GLN 90 -7.569 -15.150 -3.683 6 HG3 GLN 90 HG3 GLN 90 -6.003 -14.339 -3.661 7 HE21 GLN 90 HE21 GLN 90 -7.312 -16.007 -5.693 8 HE22 GLN 90 HE22 GLN 90 -6.184 -17.278 -6.046 No H/Q in entry = 8 In of MODEL 10 1 HA PRO 91 HA PRO 91 -5.743 -10.563 0.041 2 HB2 PRO 91 HB2 PRO 91 -3.242 -11.906 0.992 3 HB3 PRO 91 HB3 PRO 91 -4.054 -10.461 1.623 4 HG2 PRO 91 HG2 PRO 91 -4.363 -12.750 2.880 5 HG3 PRO 91 HG3 PRO 91 -5.777 -11.704 2.594 6 HD2 PRO 91 HD2 PRO 91 -4.954 -14.234 1.198 7 HD3 PRO 91 HD3 PRO 91 -6.599 -13.655 1.612 No H/Q in entry = 7 In of MODEL 10 1 H LYS 92 H LYS 92 -4.259 -9.172 -0.963 2 HA LYS 92 HA LYS 92 -3.133 -10.407 -3.383 3 HB2 LYS 92 HB2 LYS 92 -5.113 -8.949 -3.762 4 HB3 LYS 92 HB3 LYS 92 -4.208 -7.605 -3.078 5 HG2 LYS 92 HG2 LYS 92 -4.068 -7.467 -5.454 6 HG3 LYS 92 HG3 LYS 92 -2.485 -7.955 -4.823 7 HD2 LYS 92 HD2 LYS 92 -2.936 -9.332 -6.707 8 HD3 LYS 92 HD3 LYS 92 -3.144 -10.318 -5.254 9 HE2 LYS 92 HE2 LYS 92 -4.926 -10.735 -6.892 10 HE3 LYS 92 HE3 LYS 92 -5.560 -10.051 -5.399 11 HZ1 LYS 92 HZ1 LYS 92 -5.009 -8.494 -7.870 12 HZ2 LYS 92 HZ2 LYS 92 -6.538 -9.047 -7.400 13 HZ3 LYS 92 HZ3 LYS 92 -5.725 -7.902 -6.451 No H/Q in entry = 13 In of MODEL 10 1 H ILE 93 H ILE 93 -1.001 -10.189 -3.648 2 HA ILE 93 HA ILE 93 0.339 -8.009 -2.199 3 HB ILE 93 HB ILE 93 1.470 -10.647 -3.113 4 HG12 ILE 93 HG12 ILE 93 2.056 -10.745 -0.592 5 HG13 ILE 93 HG13 ILE 93 0.858 -9.476 -0.409 6 HG21 ILE 93 HG21 ILE 93 3.108 -8.899 -3.493 7 HG22 ILE 93 HG22 ILE 93 2.904 -8.329 -1.835 8 HG23 ILE 93 HG23 ILE 93 3.598 -9.921 -2.139 9 HD11 ILE 93 HD11 ILE 93 0.353 -12.214 -1.545 10 HD12 ILE 93 HD12 ILE 93 -0.045 -11.677 0.086 11 HD13 ILE 93 HD13 ILE 93 -0.850 -10.949 -1.302 No H/Q in entry = 11 In of MODEL 10 1 H VAL 94 H VAL 94 1.217 -6.474 -3.320 2 HA VAL 94 HA VAL 94 2.164 -7.010 -6.046 3 HB VAL 94 HB VAL 94 0.803 -4.468 -5.106 4 HG11 VAL 94 HG11 VAL 94 2.008 -5.161 -7.785 5 HG12 VAL 94 HG12 VAL 94 1.058 -3.717 -7.436 6 HG13 VAL 94 HG13 VAL 94 2.612 -3.962 -6.641 7 HG21 VAL 94 HG21 VAL 94 -0.069 -6.543 -7.118 8 HG22 VAL 94 HG22 VAL 94 -0.794 -6.249 -5.537 9 HG23 VAL 94 HG23 VAL 94 -0.894 -5.018 -6.796 No H/Q in entry = 9 In of MODEL 10 1 H LYS 95 H LYS 95 4.203 -6.471 -6.337 2 HA LYS 95 HA LYS 95 5.734 -5.609 -4.046 3 HB2 LYS 95 HB2 LYS 95 6.509 -6.337 -6.848 4 HB3 LYS 95 HB3 LYS 95 7.667 -5.721 -5.682 5 HG2 LYS 95 HG2 LYS 95 7.059 -7.623 -4.183 6 HG3 LYS 95 HG3 LYS 95 6.115 -8.283 -5.524 7 HD2 LYS 95 HD2 LYS 95 8.049 -8.455 -6.901 8 HD3 LYS 95 HD3 LYS 95 9.030 -7.572 -5.736 9 HE2 LYS 95 HE2 LYS 95 9.547 -9.916 -5.577 10 HE3 LYS 95 HE3 LYS 95 8.687 -9.420 -4.118 11 HZ1 LYS 95 HZ1 LYS 95 6.645 -10.338 -5.083 12 HZ2 LYS 95 HZ2 LYS 95 7.517 -10.854 -6.445 13 HZ3 LYS 95 HZ3 LYS 95 7.852 -11.520 -4.920 No H/Q in entry = 13 In of MODEL 10 1 H TRP 96 H TRP 96 7.070 -3.766 -3.924 2 HA TRP 96 HA TRP 96 5.962 -1.447 -5.253 3 HB2 TRP 96 HB2 TRP 96 6.542 -1.252 -2.887 4 HB3 TRP 96 HB3 TRP 96 8.211 -1.726 -3.215 5 HD1 TRP 96 HD1 TRP 96 5.802 1.115 -4.346 6 HE1 TRP 96 HE1 TRP 96 7.167 3.268 -4.549 7 HE3 TRP 96 HE3 TRP 96 10.404 -0.753 -3.148 8 HZ2 TRP 96 HZ2 TRP 96 9.859 4.092 -4.208 9 HZ3 TRP 96 HZ3 TRP 96 12.329 0.774 -3.113 10 HH2 TRP 96 HH2 TRP 96 12.058 3.164 -3.636 No H/Q in entry = 10 In of MODEL 10 1 H ASP 97 H ASP 97 6.694 -0.703 -7.116 2 HA ASP 97 HA ASP 97 9.420 -1.460 -7.915 3 HB2 ASP 97 HB2 ASP 97 8.732 -1.437 -10.220 4 HB3 ASP 97 HB3 ASP 97 7.602 -2.451 -9.330 No H/Q in entry = 4 In of MODEL 10 1 H ARG 98 H ARG 98 10.810 0.066 -8.187 2 HA ARG 98 HA ARG 98 9.892 2.834 -8.316 3 HB2 ARG 98 HB2 ARG 98 12.182 3.455 -7.857 4 HB3 ARG 98 HB3 ARG 98 11.679 2.237 -6.710 5 HG2 ARG 98 HG2 ARG 98 13.617 1.263 -7.164 6 HG3 ARG 98 HG3 ARG 98 12.852 0.733 -8.662 7 HD2 ARG 98 HD2 ARG 98 15.074 1.800 -8.989 8 HD3 ARG 98 HD3 ARG 98 13.766 2.599 -9.858 9 HE ARG 98 HE ARG 98 13.790 4.167 -7.817 10 HH11 ARG 98 HH11 ARG 98 16.624 2.631 -9.204 11 HH12 ARG 98 HH12 ARG 98 17.697 3.915 -8.722 12 HH21 ARG 98 HH21 ARG 98 15.224 5.872 -7.220 13 HH22 ARG 98 HH22 ARG 98 16.907 5.739 -7.629 No H/Q in entry = 13 In of MODEL 10 1 H ASP 99 H ASP 99 11.586 0.390 -10.089 2 HA ASP 99 HA ASP 99 10.808 1.601 -12.600 3 HB2 ASP 99 HB2 ASP 99 13.706 1.108 -11.898 4 HB3 ASP 99 HB3 ASP 99 13.139 1.237 -13.559 No H/Q in entry = 4 In of MODEL 10 1 H MET 100 H MET 100 11.332 -0.963 -10.600 2 HA MET 100 HA MET 100 12.348 -2.973 -12.267 3 HB2 MET 100 HB2 MET 100 10.573 -3.319 -9.844 4 HB3 MET 100 HB3 MET 100 11.642 -4.528 -10.541 5 HG2 MET 100 HG2 MET 100 12.488 -1.948 -9.243 6 HG3 MET 100 HG3 MET 100 12.600 -3.559 -8.537 7 HE1 MET 100 HE1 MET 100 14.283 -5.400 -9.282 8 HE2 MET 100 HE2 MET 100 13.591 -5.372 -10.903 9 HE3 MET 100 HE3 MET 100 15.338 -5.270 -10.689 No H/Q in entry = 9 In of MODEL 11 1 HA ILE 2 HA ILE 2 -21.734 -9.021 -3.905 2 HB ILE 2 HB ILE 2 -20.531 -9.422 -6.141 3 HG12 ILE 2 HG12 ILE 2 -22.012 -8.550 -8.083 4 HG13 ILE 2 HG13 ILE 2 -22.531 -7.315 -6.943 5 HG21 ILE 2 HG21 ILE 2 -23.522 -9.681 -5.931 6 HG22 ILE 2 HG22 ILE 2 -22.495 -10.577 -7.050 7 HG23 ILE 2 HG23 ILE 2 -22.321 -10.814 -5.311 8 HD11 ILE 2 HD11 ILE 2 -20.211 -6.590 -6.690 9 HD12 ILE 2 HD12 ILE 2 -19.708 -7.813 -7.857 10 HD13 ILE 2 HD13 ILE 2 -20.760 -6.491 -8.364 No H/Q in entry = 10 In of MODEL 11 1 H GLN 3 H GLN 3 -21.150 -5.910 -3.821 2 HA GLN 3 HA GLN 3 -19.444 -4.736 -2.900 3 HB2 GLN 3 HB2 GLN 3 -19.024 -7.161 -1.883 4 HB3 GLN 3 HB3 GLN 3 -17.612 -7.105 -2.921 5 HG2 GLN 3 HG2 GLN 3 -16.811 -6.371 -0.875 6 HG3 GLN 3 HG3 GLN 3 -17.096 -4.874 -1.759 7 HE21 GLN 3 HE21 GLN 3 -19.984 -4.948 -1.424 8 HE22 GLN 3 HE22 GLN 3 -20.286 -4.558 0.233 No H/Q in entry = 8 In of MODEL 11 1 H ARG 4 H ARG 4 -17.006 -4.219 -3.361 2 HA ARG 4 HA ARG 4 -16.413 -4.677 -6.211 3 HB2 ARG 4 HB2 ARG 4 -17.102 -2.466 -6.294 4 HB3 ARG 4 HB3 ARG 4 -16.472 -2.098 -4.698 5 HG2 ARG 4 HG2 ARG 4 -14.318 -1.745 -5.459 6 HG3 ARG 4 HG3 ARG 4 -14.549 -2.764 -6.889 7 HD2 ARG 4 HD2 ARG 4 -14.395 -0.303 -7.357 8 HD3 ARG 4 HD3 ARG 4 -15.847 -1.089 -7.977 9 HE ARG 4 HE ARG 4 -17.003 -0.137 -5.985 10 HH11 ARG 4 HH11 ARG 4 -14.087 1.335 -7.232 11 HH12 ARG 4 HH12 ARG 4 -14.446 2.907 -6.594 12 HH21 ARG 4 HH21 ARG 4 -17.524 1.947 -5.186 13 HH22 ARG 4 HH22 ARG 4 -16.400 3.254 -5.423 No H/Q in entry = 13 In of MODEL 11 1 H THR 5 H THR 5 -14.317 -5.087 -6.766 2 HA THR 5 HA THR 5 -12.673 -6.099 -4.659 3 HB THR 5 HB THR 5 -11.177 -6.893 -6.365 4 HG1 THR 5 HG1 THR 5 -11.844 -4.690 -7.633 5 HG21 THR 5 HG21 THR 5 -14.086 -7.115 -7.036 6 HG22 THR 5 HG22 THR 5 -12.869 -7.846 -8.088 7 HG23 THR 5 HG23 THR 5 -12.978 -8.332 -6.403 No H/Q in entry = 7 In of MODEL 11 1 HA PRO 6 HA PRO 6 -10.441 -2.215 -4.255 2 HB2 PRO 6 HB2 PRO 6 -8.771 -3.529 -2.281 3 HB3 PRO 6 HB3 PRO 6 -9.948 -2.230 -2.056 4 HG2 PRO 6 HG2 PRO 6 -10.285 -4.799 -1.132 5 HG3 PRO 6 HG3 PRO 6 -11.613 -3.662 -1.458 6 HD2 PRO 6 HD2 PRO 6 -10.630 -5.974 -3.096 7 HD3 PRO 6 HD3 PRO 6 -12.281 -5.324 -2.904 No H/Q in entry = 7 In of MODEL 11 1 H LYS 7 H LYS 7 -8.745 -1.567 -5.398 2 HA LYS 7 HA LYS 7 -7.049 -3.648 -6.569 3 HB2 LYS 7 HB2 LYS 7 -8.362 -2.256 -8.134 4 HB3 LYS 7 HB3 LYS 7 -7.610 -0.808 -7.480 5 HG2 LYS 7 HG2 LYS 7 -5.416 -1.653 -8.263 6 HG3 LYS 7 HG3 LYS 7 -6.252 -3.015 -9.012 7 HD2 LYS 7 HD2 LYS 7 -7.531 -1.469 -10.408 8 HD3 LYS 7 HD3 LYS 7 -6.723 -0.100 -9.643 9 HE2 LYS 7 HE2 LYS 7 -5.681 -0.549 -11.767 10 HE3 LYS 7 HE3 LYS 7 -4.560 -0.965 -10.471 11 HZ1 LYS 7 HZ1 LYS 7 -5.364 -3.314 -10.741 12 HZ2 LYS 7 HZ2 LYS 7 -6.157 -2.812 -12.152 13 HZ3 LYS 7 HZ3 LYS 7 -4.468 -2.700 -12.046 No H/Q in entry = 13 In of MODEL 11 1 H ILE 8 H ILE 8 -4.787 -3.306 -6.737 2 HA ILE 8 HA ILE 8 -3.787 -1.977 -4.353 3 HB ILE 8 HB ILE 8 -2.131 -3.617 -6.252 4 HG12 ILE 8 HG12 ILE 8 -4.053 -4.993 -5.745 5 HG13 ILE 8 HG13 ILE 8 -2.681 -5.580 -4.817 6 HG21 ILE 8 HG21 ILE 8 -0.945 -2.359 -4.534 7 HG22 ILE 8 HG22 ILE 8 -1.953 -3.091 -3.284 8 HG23 ILE 8 HG23 ILE 8 -0.842 -4.092 -4.220 9 HD11 ILE 8 HD11 ILE 8 -4.839 -3.784 -3.751 10 HD12 ILE 8 HD12 ILE 8 -4.768 -5.535 -3.539 11 HD13 ILE 8 HD13 ILE 8 -3.516 -4.511 -2.835 No H/Q in entry = 11 In of MODEL 11 1 H GLN 9 H GLN 9 -2.773 -0.123 -4.383 2 HA GLN 9 HA GLN 9 -1.183 0.578 -6.744 3 HB2 GLN 9 HB2 GLN 9 -3.014 2.357 -5.151 4 HB3 GLN 9 HB3 GLN 9 -1.745 2.991 -6.207 5 HG2 GLN 9 HG2 GLN 9 -2.819 2.021 -8.128 6 HG3 GLN 9 HG3 GLN 9 -4.004 1.208 -7.105 7 HE21 GLN 9 HE21 GLN 9 -4.280 3.488 -5.318 8 HE22 GLN 9 HE22 GLN 9 -5.212 4.675 -6.181 No H/Q in entry = 8 In of MODEL 11 1 H VAL 10 H VAL 10 0.875 0.652 -6.121 2 HA VAL 10 HA VAL 10 1.489 1.891 -3.549 3 HB VAL 10 HB VAL 10 1.774 -0.361 -2.937 4 HG11 VAL 10 HG11 VAL 10 1.548 -1.286 -5.219 5 HG12 VAL 10 HG12 VAL 10 3.254 -0.935 -5.490 6 HG13 VAL 10 HG13 VAL 10 2.776 -2.086 -4.238 7 HG21 VAL 10 HG21 VAL 10 4.442 0.697 -3.840 8 HG22 VAL 10 HG22 VAL 10 3.690 0.863 -2.250 9 HG23 VAL 10 HG23 VAL 10 4.244 -0.720 -2.805 No H/Q in entry = 9 In of MODEL 11 1 H TYR 11 H TYR 11 2.875 3.450 -3.720 2 HA TYR 11 HA TYR 11 4.785 3.515 -5.946 3 HB2 TYR 11 HB2 TYR 11 3.209 6.017 -5.271 4 HB3 TYR 11 HB3 TYR 11 4.224 5.715 -6.667 5 HD1 TYR 11 HD1 TYR 11 0.920 5.953 -5.520 6 HD2 TYR 11 HD2 TYR 11 3.338 3.804 -8.289 7 HE1 TYR 11 HE1 TYR 11 -1.068 5.478 -6.866 8 HE2 TYR 11 HE2 TYR 11 1.342 3.300 -9.638 9 HH TYR 11 HH TYR 11 -1.672 4.862 -9.098 No H/Q in entry = 9 In of MODEL 11 1 H SER 12 H SER 12 6.492 5.186 -5.514 2 HA SER 12 HA SER 12 6.843 5.636 -2.670 3 HB2 SER 12 HB2 SER 12 8.776 4.894 -4.017 4 HB3 SER 12 HB3 SER 12 8.621 6.327 -5.026 5 HG SER 12 HG SER 12 9.761 7.350 -3.618 No H/Q in entry = 5 In of MODEL 11 1 H ARG 13 H ARG 13 6.713 7.628 -1.694 2 HA ARG 13 HA ARG 13 4.939 9.534 -2.691 3 HB2 ARG 13 HB2 ARG 13 5.797 9.265 -0.292 4 HB3 ARG 13 HB3 ARG 13 7.240 10.122 -0.794 5 HG2 ARG 13 HG2 ARG 13 4.486 11.352 -0.927 6 HG3 ARG 13 HG3 ARG 13 5.548 11.469 0.471 7 HD2 ARG 13 HD2 ARG 13 6.145 12.458 -2.310 8 HD3 ARG 13 HD3 ARG 13 5.751 13.444 -0.912 9 HE ARG 13 HE ARG 13 8.262 12.059 -1.419 10 HH11 ARG 13 HH11 ARG 13 6.344 14.049 0.736 11 HH12 ARG 13 HH12 ARG 13 7.728 14.630 1.618 12 HH21 ARG 13 HH21 ARG 13 10.068 12.822 -0.261 13 HH22 ARG 13 HH22 ARG 13 9.849 13.911 1.072 No H/Q in entry = 13 In of MODEL 11 1 H HIS 14 H HIS 14 8.426 9.455 -2.946 2 HA HIS 14 HA HIS 14 8.331 11.322 -5.176 3 HB2 HIS 14 HB2 HIS 14 9.755 11.798 -2.599 4 HB3 HIS 14 HB3 HIS 14 10.638 12.210 -4.065 5 HD2 HIS 14 HD2 HIS 14 7.228 13.070 -5.055 6 HE1 HIS 14 HE1 HIS 14 8.572 16.445 -2.891 7 HE2 HIS 14 HE2 HIS 14 6.942 15.612 -4.643 No H/Q in entry = 7 In of MODEL 11 1 HA PRO 15 HA PRO 15 11.453 8.862 -7.258 2 HB2 PRO 15 HB2 PRO 15 13.926 10.160 -6.703 3 HB3 PRO 15 HB3 PRO 15 12.947 10.286 -8.176 4 HG2 PRO 15 HG2 PRO 15 13.107 12.155 -5.840 5 HG3 PRO 15 HG3 PRO 15 12.699 12.490 -7.555 6 HD2 PRO 15 HD2 PRO 15 10.816 12.474 -5.611 7 HD3 PRO 15 HD3 PRO 15 10.466 11.906 -7.270 No H/Q in entry = 7 In of MODEL 11 1 H ALA 16 H ALA 16 12.775 7.135 -6.836 2 HA ALA 16 HA ALA 16 13.113 6.518 -4.013 3 HB1 ALA 16 HB1 ALA 16 11.947 4.906 -5.454 4 HB2 ALA 16 HB2 ALA 16 13.401 4.745 -6.443 5 HB3 ALA 16 HB3 ALA 16 13.416 4.218 -4.759 No H/Q in entry = 5 In of MODEL 11 1 H GLU 17 H GLU 17 15.055 6.648 -3.057 2 HA GLU 17 HA GLU 17 17.434 6.551 -4.760 3 HB2 GLU 17 HB2 GLU 17 16.709 8.710 -3.430 4 HB3 GLU 17 HB3 GLU 17 17.446 7.861 -2.071 5 HG2 GLU 17 HG2 GLU 17 19.062 9.321 -3.098 6 HG3 GLU 17 HG3 GLU 17 19.514 7.638 -3.374 No H/Q in entry = 6 In of MODEL 11 1 H ASN 18 H ASN 18 18.580 4.778 -4.461 2 HA ASN 18 HA ASN 18 17.981 3.042 -2.237 3 HB2 ASN 18 HB2 ASN 18 19.965 2.599 -4.494 4 HB3 ASN 18 HB3 ASN 18 19.560 1.429 -3.253 5 HD21 ASN 18 HD21 ASN 18 19.397 0.801 -5.911 6 HD22 ASN 18 HD22 ASN 18 17.739 0.524 -6.375 No H/Q in entry = 6 In of MODEL 11 1 H GLY 19 H GLY 19 19.040 2.884 -0.416 2 HA2 GLY 19 HA2 GLY 19 21.803 3.766 -0.158 3 HA3 GLY 19 HA3 GLY 19 20.797 3.038 1.109 No H/Q in entry = 3 In of MODEL 11 1 H LYS 20 H LYS 20 18.572 4.819 0.526 2 HA LYS 20 HA LYS 20 19.437 7.169 1.995 3 HB2 LYS 20 HB2 LYS 20 19.825 7.583 -0.454 4 HB3 LYS 20 HB3 LYS 20 18.098 7.392 -0.697 5 HG2 LYS 20 HG2 LYS 20 18.752 9.716 -0.571 6 HG3 LYS 20 HG3 LYS 20 17.643 9.291 0.715 7 HD2 LYS 20 HD2 LYS 20 19.537 9.083 2.205 8 HD3 LYS 20 HD3 LYS 20 20.630 9.573 0.938 9 HE2 LYS 20 HE2 LYS 20 18.466 11.206 2.258 10 HE3 LYS 20 HE3 LYS 20 20.205 11.495 2.293 11 HZ1 LYS 20 HZ1 LYS 20 19.997 11.759 -0.212 12 HZ2 LYS 20 HZ2 LYS 20 18.322 11.873 0.044 13 HZ3 LYS 20 HZ3 LYS 20 19.368 13.004 0.754 No H/Q in entry = 13 In of MODEL 11 1 H SER 21 H SER 21 17.696 8.330 2.860 2 HA SER 21 HA SER 21 15.465 6.745 3.587 3 HB2 SER 21 HB2 SER 21 16.088 9.667 3.991 4 HB3 SER 21 HB3 SER 21 14.725 8.832 4.735 5 HG SER 21 HG SER 21 16.164 7.493 5.811 No H/Q in entry = 5 In of MODEL 11 1 H ASN 22 H ASN 22 13.355 6.857 2.986 2 HA ASN 22 HA ASN 22 12.436 8.827 1.065 3 HB2 ASN 22 HB2 ASN 22 13.382 6.253 0.207 4 HB3 ASN 22 HB3 ASN 22 11.634 6.284 0.002 5 HD21 ASN 22 HD21 ASN 22 10.745 7.595 -1.556 6 HD22 ASN 22 HD22 ASN 22 11.695 8.459 -2.720 No H/Q in entry = 6 In of MODEL 11 1 H PHE 23 H PHE 23 10.001 8.267 0.553 2 HA PHE 23 HA PHE 23 8.797 7.075 2.964 3 HB2 PHE 23 HB2 PHE 23 7.948 9.546 1.448 4 HB3 PHE 23 HB3 PHE 23 6.902 8.723 2.591 5 HD1 PHE 23 HD1 PHE 23 10.371 10.126 2.450 6 HD2 PHE 23 HD2 PHE 23 6.802 9.567 4.696 7 HE1 PHE 23 HE1 PHE 23 11.312 11.482 4.275 8 HE2 PHE 23 HE2 PHE 23 7.733 10.926 6.522 9 HZ PHE 23 HZ PHE 23 9.993 11.868 6.321 No H/Q in entry = 9 In of MODEL 11 1 H LEU 24 H LEU 24 7.299 5.538 2.599 2 HA LEU 24 HA LEU 24 6.799 4.747 -0.166 3 HB2 LEU 24 HB2 LEU 24 7.210 3.405 2.232 4 HB3 LEU 24 HB3 LEU 24 5.508 3.154 1.900 5 HG LEU 24 HG LEU 24 7.845 2.354 0.135 6 HD11 LEU 24 HD11 LEU 24 7.487 0.930 2.097 7 HD12 LEU 24 HD12 LEU 24 5.799 0.713 1.631 8 HD13 LEU 24 HD13 LEU 24 7.086 0.082 0.601 9 HD21 LEU 24 HD21 LEU 24 4.882 2.033 -0.364 10 HD22 LEU 24 HD22 LEU 24 5.999 3.040 -1.287 11 HD23 LEU 24 HD23 LEU 24 6.169 1.285 -1.309 No H/Q in entry = 11 In of MODEL 11 1 H ASN 25 H ASN 25 4.636 4.180 -0.858 2 HA ASN 25 HA ASN 25 2.434 5.294 0.692 3 HB2 ASN 25 HB2 ASN 25 2.856 7.188 -0.657 4 HB3 ASN 25 HB3 ASN 25 3.261 6.209 -2.061 5 HD21 ASN 25 HD21 ASN 25 1.863 7.271 -3.408 6 HD22 ASN 25 HD22 ASN 25 0.145 7.139 -3.285 No H/Q in entry = 6 In of MODEL 11 1 H CYS 26 H CYS 26 0.776 3.952 0.723 2 HA CYS 26 HA CYS 26 0.368 2.138 -1.556 3 HB2 CYS 26 HB2 CYS 26 1.349 1.141 0.660 4 HB3 CYS 26 HB3 CYS 26 -0.315 1.279 1.226 No H/Q in entry = 4 In of MODEL 11 1 H TYR 27 H TYR 27 -1.546 2.447 -2.436 2 HA TYR 27 HA TYR 27 -3.602 3.909 -0.893 3 HB2 TYR 27 HB2 TYR 27 -2.253 4.577 -3.360 4 HB3 TYR 27 HB3 TYR 27 -3.964 4.349 -3.674 5 HD1 TYR 27 HD1 TYR 27 -5.530 5.652 -1.843 6 HD2 TYR 27 HD2 TYR 27 -1.547 6.720 -2.933 7 HE1 TYR 27 HE1 TYR 27 -5.973 7.984 -1.205 8 HE2 TYR 27 HE2 TYR 27 -1.983 9.040 -2.265 9 HH TYR 27 HH TYR 27 -4.657 9.952 -0.435 No H/Q in entry = 9 In of MODEL 11 1 H VAL 28 H VAL 28 -4.989 2.234 -0.416 2 HA VAL 28 HA VAL 28 -5.833 0.551 -2.679 3 HB VAL 28 HB VAL 28 -6.568 -0.051 0.171 4 HG11 VAL 28 HG11 VAL 28 -6.132 -1.745 -2.281 5 HG12 VAL 28 HG12 VAL 28 -6.616 -2.348 -0.694 6 HG13 VAL 28 HG13 VAL 28 -7.688 -1.280 -1.594 7 HG21 VAL 28 HG21 VAL 28 -3.963 -0.740 -1.171 8 HG22 VAL 28 HG22 VAL 28 -4.194 0.151 0.336 9 HG23 VAL 28 HG23 VAL 28 -4.587 -1.571 0.260 No H/Q in entry = 9 In of MODEL 11 1 H SER 29 H SER 29 -7.724 1.053 -3.573 2 HA SER 29 HA SER 29 -9.894 2.063 -1.922 3 HB2 SER 29 HB2 SER 29 -8.775 3.594 -4.279 4 HB3 SER 29 HB3 SER 29 -10.318 3.953 -3.504 5 HG SER 29 HG SER 29 -8.411 3.761 -1.634 No H/Q in entry = 5 In of MODEL 11 1 H GLY 30 H GLY 30 -11.954 2.218 -3.172 2 HA2 GLY 30 HA2 GLY 30 -12.119 0.488 -5.502 3 HA3 GLY 30 HA3 GLY 30 -13.447 1.367 -4.753 No H/Q in entry = 3 In of MODEL 11 1 H PHE 31 H PHE 31 -14.780 0.176 -3.344 2 HA PHE 31 HA PHE 31 -14.742 -2.283 -2.661 3 HB2 PHE 31 HB2 PHE 31 -13.530 -2.715 -0.596 4 HB3 PHE 31 HB3 PHE 31 -12.436 -2.310 -1.918 5 HD1 PHE 31 HD1 PHE 31 -11.064 -0.410 -1.837 6 HD2 PHE 31 HD2 PHE 31 -13.847 -1.157 1.280 7 HE1 PHE 31 HE1 PHE 31 -9.875 1.177 -0.400 8 HE2 PHE 31 HE2 PHE 31 -12.651 0.428 2.729 9 HZ PHE 31 HZ PHE 31 -10.662 1.591 1.891 No H/Q in entry = 9 In of MODEL 11 1 H HIS 32 H HIS 32 -15.588 -2.769 -0.289 2 HA HIS 32 HA HIS 32 -16.948 -0.483 0.893 3 HB2 HIS 32 HB2 HIS 32 -18.644 -2.906 0.172 4 HB3 HIS 32 HB3 HIS 32 -19.172 -1.363 0.817 5 HD2 HIS 32 HD2 HIS 32 -19.259 0.759 -1.044 6 HE1 HIS 32 HE1 HIS 32 -19.090 -1.835 -4.381 7 HE2 HIS 32 HE2 HIS 32 -19.750 0.472 -3.576 No H/Q in entry = 7 In of MODEL 11 1 HA PRO 33 HA PRO 33 -19.108 -0.839 2.580 2 HB2 PRO 33 HB2 PRO 33 -18.246 -0.330 5.363 3 HB3 PRO 33 HB3 PRO 33 -19.851 -0.707 4.732 4 HG2 PRO 33 HG2 PRO 33 -18.448 -2.505 6.124 5 HG3 PRO 33 HG3 PRO 33 -19.474 -2.986 4.761 6 HD2 PRO 33 HD2 PRO 33 -16.503 -2.680 4.883 7 HD3 PRO 33 HD3 PRO 33 -17.479 -3.917 4.050 No H/Q in entry = 7 In of MODEL 11 1 H SER 34 H SER 34 -16.453 0.120 4.816 2 HA SER 34 HA SER 34 -15.474 2.062 2.920 3 HB2 SER 34 HB2 SER 34 -16.503 2.837 5.671 4 HB3 SER 34 HB3 SER 34 -15.601 3.900 4.591 5 HG SER 34 HG SER 34 -17.601 2.910 3.185 No H/Q in entry = 5 In of MODEL 11 1 H ASP 35 H ASP 35 -14.680 -0.435 4.132 2 HA ASP 35 HA ASP 35 -12.340 0.371 5.730 3 HB2 ASP 35 HB2 ASP 35 -14.224 -1.902 6.404 4 HB3 ASP 35 HB3 ASP 35 -12.706 -1.571 7.225 No H/Q in entry = 4 In of MODEL 11 1 H ILE 36 H ILE 36 -10.511 -0.640 5.204 2 HA ILE 36 HA ILE 36 -10.567 -3.392 4.298 3 HB ILE 36 HB ILE 36 -10.522 -1.864 2.215 4 HG12 ILE 36 HG12 ILE 36 -8.604 -4.066 2.871 5 HG13 ILE 36 HG13 ILE 36 -10.012 -4.109 1.820 6 HG21 ILE 36 HG21 ILE 36 -7.725 -1.440 3.256 7 HG22 ILE 36 HG22 ILE 36 -8.257 -1.037 1.622 8 HG23 ILE 36 HG23 ILE 36 -8.956 -0.199 3.008 9 HD11 ILE 36 HD11 ILE 36 -8.772 -2.813 0.145 10 HD12 ILE 36 HD12 ILE 36 -7.365 -2.811 1.209 11 HD13 ILE 36 HD13 ILE 36 -7.969 -4.330 0.547 No H/Q in entry = 11 In of MODEL 11 1 H GLU 37 H GLU 37 -8.478 -4.450 4.615 2 HA GLU 37 HA GLU 37 -6.690 -2.910 6.359 3 HB2 GLU 37 HB2 GLU 37 -7.938 -4.956 7.306 4 HB3 GLU 37 HB3 GLU 37 -6.898 -5.907 6.255 5 HG2 GLU 37 HG2 GLU 37 -5.903 -5.911 8.410 6 HG3 GLU 37 HG3 GLU 37 -4.928 -4.849 7.392 No H/Q in entry = 6 In of MODEL 11 1 H VAL 38 H VAL 38 -4.738 -2.558 5.567 2 HA VAL 38 HA VAL 38 -3.648 -4.409 3.599 3 HB VAL 38 HB VAL 38 -3.935 -2.973 1.926 4 HG11 VAL 38 HG11 VAL 38 -5.685 -1.878 3.148 5 HG12 VAL 38 HG12 VAL 38 -4.514 -0.822 3.938 6 HG13 VAL 38 HG13 VAL 38 -4.778 -0.702 2.198 7 HG21 VAL 38 HG21 VAL 38 -1.966 -1.232 3.415 8 HG22 VAL 38 HG22 VAL 38 -1.586 -2.476 2.225 9 HG23 VAL 38 HG23 VAL 38 -2.429 -1.005 1.726 No H/Q in entry = 9 In of MODEL 11 1 H ASP 39 H ASP 39 -1.491 -4.635 3.618 2 HA ASP 39 HA ASP 39 -0.011 -3.291 5.769 3 HB2 ASP 39 HB2 ASP 39 0.035 -5.119 7.060 4 HB3 ASP 39 HB3 ASP 39 -1.019 -5.931 5.914 No H/Q in entry = 4 In of MODEL 11 1 H LEU 40 H LEU 40 2.222 -3.192 5.491 2 HA LEU 40 HA LEU 40 2.999 -3.479 2.686 3 HB2 LEU 40 HB2 LEU 40 4.493 -1.954 4.810 4 HB3 LEU 40 HB3 LEU 40 4.672 -1.829 3.071 5 HG LEU 40 HG LEU 40 2.304 -0.889 4.683 6 HD11 LEU 40 HD11 LEU 40 4.317 0.491 4.958 7 HD12 LEU 40 HD12 LEU 40 4.426 0.662 3.204 8 HD13 LEU 40 HD13 LEU 40 3.050 1.342 4.073 9 HD21 LEU 40 HD21 LEU 40 2.842 -0.741 1.726 10 HD22 LEU 40 HD22 LEU 40 1.537 -1.619 2.526 11 HD23 LEU 40 HD23 LEU 40 1.567 0.149 2.567 No H/Q in entry = 11 In of MODEL 11 1 H LEU 41 H LEU 41 4.782 -4.605 2.088 2 HA LEU 41 HA LEU 41 5.854 -6.415 4.137 3 HB2 LEU 41 HB2 LEU 41 5.774 -7.050 1.231 4 HB3 LEU 41 HB3 LEU 41 5.966 -8.130 2.577 5 HG LEU 41 HG LEU 41 3.410 -6.697 1.903 6 HD11 LEU 41 HD11 LEU 41 4.041 -8.346 0.215 7 HD12 LEU 41 HD12 LEU 41 4.243 -9.564 1.476 8 HD13 LEU 41 HD13 LEU 41 2.648 -8.890 1.150 9 HD21 LEU 41 HD21 LEU 41 4.048 -8.857 3.907 10 HD22 LEU 41 HD22 LEU 41 3.648 -7.179 4.276 11 HD23 LEU 41 HD23 LEU 41 2.438 -8.234 3.544 No H/Q in entry = 11 In of MODEL 11 1 H LYS 42 H LYS 42 7.738 -7.587 3.174 2 HA LYS 42 HA LYS 42 9.650 -6.001 1.744 3 HB2 LYS 42 HB2 LYS 42 10.402 -6.999 4.473 4 HB3 LYS 42 HB3 LYS 42 11.406 -6.079 3.377 5 HG2 LYS 42 HG2 LYS 42 9.782 -4.169 3.575 6 HG3 LYS 42 HG3 LYS 42 8.941 -5.093 4.785 7 HD2 LYS 42 HD2 LYS 42 10.509 -3.467 5.787 8 HD3 LYS 42 HD3 LYS 42 10.919 -5.132 6.204 9 HE2 LYS 42 HE2 LYS 42 12.624 -5.160 4.453 10 HE3 LYS 42 HE3 LYS 42 12.212 -3.503 4.020 11 HZ1 LYS 42 HZ1 LYS 42 13.084 -4.209 6.756 12 HZ2 LYS 42 HZ2 LYS 42 14.204 -3.864 5.529 13 HZ3 LYS 42 HZ3 LYS 42 13.080 -2.689 6.005 No H/Q in entry = 13 In of MODEL 11 1 H ASN 43 H ASN 43 9.986 -7.448 0.275 2 HA ASN 43 HA ASN 43 10.677 -9.327 -0.811 3 HB2 ASN 43 HB2 ASN 43 11.631 -10.177 1.938 4 HB3 ASN 43 HB3 ASN 43 12.004 -11.049 0.452 5 HD21 ASN 43 HD21 ASN 43 12.538 -8.136 2.283 6 HD22 ASN 43 HD22 ASN 43 13.925 -7.582 1.409 No H/Q in entry = 6 In of MODEL 11 1 H GLY 44 H GLY 44 8.545 -9.465 1.801 2 HA2 GLY 44 HA2 GLY 44 7.579 -12.153 1.214 3 HA3 GLY 44 HA3 GLY 44 6.470 -10.807 0.895 No H/Q in entry = 3 In of MODEL 11 1 H GLU 45 H GLU 45 8.427 -9.888 3.381 2 HA GLU 45 HA GLU 45 6.839 -11.175 5.471 3 HB2 GLU 45 HB2 GLU 45 9.447 -9.678 5.611 4 HB3 GLU 45 HB3 GLU 45 8.647 -10.444 6.977 5 HG2 GLU 45 HG2 GLU 45 8.822 -12.609 5.674 6 HG3 GLU 45 HG3 GLU 45 9.901 -11.741 4.579 No H/Q in entry = 6 In of MODEL 11 1 H ARG 46 H ARG 46 5.854 -9.978 7.085 2 HA ARG 46 HA ARG 46 4.684 -7.540 6.258 3 HB2 ARG 46 HB2 ARG 46 3.585 -9.254 7.699 4 HB3 ARG 46 HB3 ARG 46 4.692 -8.835 8.990 5 HG2 ARG 46 HG2 ARG 46 3.678 -6.796 9.347 6 HG3 ARG 46 HG3 ARG 46 2.905 -6.797 7.750 7 HD2 ARG 46 HD2 ARG 46 1.859 -7.841 10.209 8 HD3 ARG 46 HD3 ARG 46 1.071 -7.737 8.636 9 HE ARG 46 HE ARG 46 2.673 -10.019 9.614 10 HH11 ARG 46 HH11 ARG 46 0.232 -8.700 7.467 11 HH12 ARG 46 HH12 ARG 46 -0.351 -10.258 6.967 12 HH21 ARG 46 HH21 ARG 46 1.930 -12.057 8.943 13 HH22 ARG 46 HH22 ARG 46 0.629 -12.174 7.797 No H/Q in entry = 13 In of MODEL 11 1 H ILE 47 H ILE 47 5.025 -5.446 6.864 2 HA ILE 47 HA ILE 47 7.341 -4.820 8.558 3 HB ILE 47 HB ILE 47 5.582 -2.929 6.969 4 HG12 ILE 47 HG12 ILE 47 8.381 -3.829 6.313 5 HG13 ILE 47 HG13 ILE 47 6.948 -4.487 5.526 6 HG21 ILE 47 HG21 ILE 47 6.660 -1.879 8.880 7 HG22 ILE 47 HG22 ILE 47 8.229 -2.485 8.349 8 HG23 ILE 47 HG23 ILE 47 7.364 -1.297 7.371 9 HD11 ILE 47 HD11 ILE 47 6.513 -1.867 5.152 10 HD12 ILE 47 HD12 ILE 47 8.273 -1.879 5.185 11 HD13 ILE 47 HD13 ILE 47 7.405 -2.870 4.010 No H/Q in entry = 11 In of MODEL 11 1 H GLU 48 H GLU 48 7.092 -3.803 10.520 2 HA GLU 48 HA GLU 48 4.343 -3.697 11.490 3 HB2 GLU 48 HB2 GLU 48 5.600 -3.472 13.775 4 HB3 GLU 48 HB3 GLU 48 5.417 -5.033 12.998 5 HG2 GLU 48 HG2 GLU 48 7.877 -3.322 12.831 6 HG3 GLU 48 HG3 GLU 48 7.650 -4.621 13.992 No H/Q in entry = 6 In of MODEL 11 1 H LYS 49 H LYS 49 7.199 -1.593 11.218 2 HA LYS 49 HA LYS 49 6.240 0.634 12.541 3 HB2 LYS 49 HB2 LYS 49 8.003 0.494 10.103 4 HB3 LYS 49 HB3 LYS 49 7.868 1.867 11.198 5 HG2 LYS 49 HG2 LYS 49 8.489 -0.675 12.495 6 HG3 LYS 49 HG3 LYS 49 9.728 -0.084 11.393 7 HD2 LYS 49 HD2 LYS 49 10.161 0.737 13.610 8 HD3 LYS 49 HD3 LYS 49 9.676 2.082 12.581 9 HE2 LYS 49 HE2 LYS 49 7.356 1.824 13.485 10 HE3 LYS 49 HE3 LYS 49 7.993 0.639 14.625 11 HZ1 LYS 49 HZ1 LYS 49 9.532 2.406 15.414 12 HZ2 LYS 49 HZ2 LYS 49 8.702 3.513 14.437 13 HZ3 LYS 49 HZ3 LYS 49 7.895 2.741 15.711 No H/Q in entry = 13 In of MODEL 11 1 H VAL 50 H VAL 50 4.849 -0.681 9.780 2 HA VAL 50 HA VAL 50 4.120 1.603 8.331 3 HB VAL 50 HB VAL 50 2.556 -0.956 8.653 4 HG11 VAL 50 HG11 VAL 50 1.245 0.975 7.780 5 HG12 VAL 50 HG12 VAL 50 2.424 1.122 6.466 6 HG13 VAL 50 HG13 VAL 50 1.438 -0.336 6.601 7 HG21 VAL 50 HG21 VAL 50 4.626 -0.113 6.635 8 HG22 VAL 50 HG22 VAL 50 4.782 -1.389 7.843 9 HG23 VAL 50 HG23 VAL 50 3.635 -1.566 6.519 No H/Q in entry = 9 In of MODEL 11 1 H GLU 51 H GLU 51 2.472 3.020 8.448 2 HA GLU 51 HA GLU 51 0.449 2.648 10.519 3 HB2 GLU 51 HB2 GLU 51 1.831 5.306 10.112 4 HB3 GLU 51 HB3 GLU 51 0.649 4.882 11.347 5 HG2 GLU 51 HG2 GLU 51 2.206 3.467 12.453 6 HG3 GLU 51 HG3 GLU 51 3.383 3.663 11.155 No H/Q in entry = 6 In of MODEL 11 1 H HIS 52 H HIS 52 -1.404 3.931 10.147 2 HA HIS 52 HA HIS 52 -1.757 4.735 7.339 3 HB2 HIS 52 HB2 HIS 52 -4.200 4.301 7.680 4 HB3 HIS 52 HB3 HIS 52 -3.166 2.880 7.732 5 HD2 HIS 52 HD2 HIS 52 -2.687 1.980 10.504 6 HE1 HIS 52 HE1 HIS 52 -6.371 3.641 11.753 7 HE2 HIS 52 HE2 HIS 52 -4.596 1.906 12.258 No H/Q in entry = 7 In of MODEL 11 1 H SER 53 H SER 53 -2.363 6.744 6.873 2 HA SER 53 HA SER 53 -2.504 8.670 9.030 3 HB2 SER 53 HB2 SER 53 -2.717 10.285 7.001 4 HB3 SER 53 HB3 SER 53 -1.214 9.363 7.136 5 HG SER 53 HG SER 53 -3.369 9.022 5.361 No H/Q in entry = 5 In of MODEL 11 1 H ASP 54 H ASP 54 -4.206 10.615 7.924 2 HA ASP 54 HA ASP 54 -6.672 9.978 9.008 3 HB2 ASP 54 HB2 ASP 54 -6.051 12.284 8.589 4 HB3 ASP 54 HB3 ASP 54 -6.024 12.000 6.854 No H/Q in entry = 4 In of MODEL 11 1 H LEU 55 H LEU 55 -8.442 9.002 8.351 2 HA LEU 55 HA LEU 55 -8.402 6.997 6.515 3 HB2 LEU 55 HB2 LEU 55 -10.098 7.274 8.290 4 HB3 LEU 55 HB3 LEU 55 -10.877 8.519 7.329 5 HG LEU 55 HG LEU 55 -11.286 6.828 5.543 6 HD11 LEU 55 HD11 LEU 55 -9.508 5.251 6.147 7 HD12 LEU 55 HD12 LEU 55 -10.379 4.846 7.626 8 HD13 LEU 55 HD13 LEU 55 -11.086 4.469 6.056 9 HD21 LEU 55 HD21 LEU 55 -13.004 7.444 7.201 10 HD22 LEU 55 HD22 LEU 55 -13.159 5.777 6.644 11 HD23 LEU 55 HD23 LEU 55 -12.463 6.115 8.228 No H/Q in entry = 11 In of MODEL 11 1 H SER 56 H SER 56 -10.693 9.621 5.836 2 HA SER 56 HA SER 56 -9.809 9.981 3.146 3 HB2 SER 56 HB2 SER 56 -10.665 7.656 3.020 4 HB3 SER 56 HB3 SER 56 -12.235 8.218 3.585 5 HG SER 56 HG SER 56 -12.661 9.006 1.665 No H/Q in entry = 5 In of MODEL 11 1 H PHE 57 H PHE 57 -11.736 10.880 1.805 2 HA PHE 57 HA PHE 57 -13.738 12.243 3.426 3 HB2 PHE 57 HB2 PHE 57 -11.886 13.902 3.039 4 HB3 PHE 57 HB3 PHE 57 -12.122 13.705 1.305 5 HD1 PHE 57 HD1 PHE 57 -14.082 14.603 0.206 6 HD2 PHE 57 HD2 PHE 57 -13.493 15.104 4.386 7 HE1 PHE 57 HE1 PHE 57 -15.845 16.317 0.235 8 HE2 PHE 57 HE2 PHE 57 -15.247 16.829 4.430 9 HZ PHE 57 HZ PHE 57 -16.424 17.440 2.355 No H/Q in entry = 9 In of MODEL 11 1 H SER 58 H SER 58 -15.670 12.374 2.410 2 HA SER 58 HA SER 58 -16.102 10.691 0.139 3 HB2 SER 58 HB2 SER 58 -17.669 10.918 2.093 4 HB3 SER 58 HB3 SER 58 -18.069 12.536 1.522 5 HG SER 58 HG SER 58 -19.345 10.467 0.854 No H/Q in entry = 5 In of MODEL 11 1 H LYS 59 H LYS 59 -18.216 12.091 -1.052 2 HA LYS 59 HA LYS 59 -18.860 13.852 -2.406 3 HB2 LYS 59 HB2 LYS 59 -17.592 15.304 -0.806 4 HB3 LYS 59 HB3 LYS 59 -16.186 15.123 -1.841 5 HG2 LYS 59 HG2 LYS 59 -17.252 17.222 -2.282 6 HG3 LYS 59 HG3 LYS 59 -17.441 16.162 -3.682 7 HD2 LYS 59 HD2 LYS 59 -19.709 15.772 -3.220 8 HD3 LYS 59 HD3 LYS 59 -19.562 16.355 -1.560 9 HE2 LYS 59 HE2 LYS 59 -19.364 18.034 -4.064 10 HE3 LYS 59 HE3 LYS 59 -20.737 17.970 -2.960 11 HZ1 LYS 59 HZ1 LYS 59 -18.000 18.867 -2.216 12 HZ2 LYS 59 HZ2 LYS 59 -19.305 19.895 -2.550 13 HZ3 LYS 59 HZ3 LYS 59 -19.362 18.862 -1.207 No H/Q in entry = 13 In of MODEL 11 1 H ASP 60 H ASP 60 -15.964 12.054 -2.831 2 HA ASP 60 HA ASP 60 -15.661 12.878 -5.612 3 HB2 ASP 60 HB2 ASP 60 -13.583 12.608 -4.427 4 HB3 ASP 60 HB3 ASP 60 -14.056 11.011 -3.855 No H/Q in entry = 4 In of MODEL 11 1 H TRP 61 H TRP 61 -15.723 9.731 -3.963 2 HA TRP 61 HA TRP 61 -18.037 8.739 -5.154 3 HB2 TRP 61 HB2 TRP 61 -16.671 8.917 -7.238 4 HB3 TRP 61 HB3 TRP 61 -15.522 7.783 -6.536 5 HD1 TRP 61 HD1 TRP 61 -15.917 5.332 -7.199 6 HE1 TRP 61 HE1 TRP 61 -17.907 3.949 -8.082 7 HE3 TRP 61 HE3 TRP 61 -19.532 8.943 -7.044 8 HZ2 TRP 61 HZ2 TRP 61 -20.643 4.347 -8.630 9 HZ3 TRP 61 HZ3 TRP 61 -21.810 8.376 -7.757 10 HH2 TRP 61 HH2 TRP 61 -22.360 6.094 -8.545 No H/Q in entry = 10 In of MODEL 11 1 H SER 62 H SER 62 -14.758 7.443 -4.671 2 HA SER 62 HA SER 62 -15.908 5.488 -2.800 3 HB2 SER 62 HB2 SER 62 -13.262 5.378 -4.300 4 HB3 SER 62 HB3 SER 62 -13.956 4.071 -3.329 5 HG SER 62 HG SER 62 -14.941 5.171 -5.756 No H/Q in entry = 5 In of MODEL 11 1 H PHE 63 H PHE 63 -14.593 4.937 -0.927 2 HA PHE 63 HA PHE 63 -13.268 7.299 0.177 3 HB2 PHE 63 HB2 PHE 63 -13.973 4.737 1.638 4 HB3 PHE 63 HB3 PHE 63 -13.598 6.301 2.346 5 HD1 PHE 63 HD1 PHE 63 -15.301 7.963 2.639 6 HD2 PHE 63 HD2 PHE 63 -16.151 4.362 0.526 7 HE1 PHE 63 HE1 PHE 63 -17.723 8.459 2.768 8 HE2 PHE 63 HE2 PHE 63 -18.561 4.855 0.642 9 HZ PHE 63 HZ PHE 63 -19.342 6.902 1.761 No H/Q in entry = 9 In of MODEL 11 1 H TYR 64 H TYR 64 -11.162 7.313 0.815 2 HA TYR 64 HA TYR 64 -9.555 5.092 -0.228 3 HB2 TYR 64 HB2 TYR 64 -8.261 7.647 0.606 4 HB3 TYR 64 HB3 TYR 64 -7.899 6.592 -0.761 5 HD1 TYR 64 HD1 TYR 64 -9.503 9.589 0.327 6 HD2 TYR 64 HD2 TYR 64 -9.451 6.696 -2.794 7 HE1 TYR 64 HE1 TYR 64 -10.614 11.193 -1.165 8 HE2 TYR 64 HE2 TYR 64 -10.569 8.296 -4.296 9 HH TYR 64 HH TYR 64 -11.956 10.278 -4.176 No H/Q in entry = 9 In of MODEL 11 1 H LEU 65 H LEU 65 -7.917 4.149 1.026 2 HA LEU 65 HA LEU 65 -7.464 5.308 3.682 3 HB2 LEU 65 HB2 LEU 65 -8.876 3.552 4.250 4 HB3 LEU 65 HB3 LEU 65 -8.201 2.475 3.045 5 HG LEU 65 HG LEU 65 -6.328 3.238 5.187 6 HD11 LEU 65 HD11 LEU 65 -8.458 3.153 6.416 7 HD12 LEU 65 HD12 LEU 65 -8.742 1.533 5.777 8 HD13 LEU 65 HD13 LEU 65 -7.378 1.833 6.855 9 HD21 LEU 65 HD21 LEU 65 -7.249 0.625 4.000 10 HD22 LEU 65 HD22 LEU 65 -5.840 1.553 3.490 11 HD23 LEU 65 HD23 LEU 65 -5.887 0.837 5.100 No H/Q in entry = 11 In of MODEL 11 1 H LEU 66 H LEU 66 -5.357 5.471 4.265 2 HA LEU 66 HA LEU 66 -3.467 4.632 2.185 3 HB2 LEU 66 HB2 LEU 66 -3.812 7.032 2.232 4 HB3 LEU 66 HB3 LEU 66 -3.483 7.094 3.936 5 HG LEU 66 HG LEU 66 -1.136 6.788 3.578 6 HD11 LEU 66 HD11 LEU 66 -1.788 5.987 0.789 7 HD12 LEU 66 HD12 LEU 66 -0.167 6.411 1.342 8 HD13 LEU 66 HD13 LEU 66 -1.010 5.031 2.048 9 HD21 LEU 66 HD21 LEU 66 -1.941 9.027 3.059 10 HD22 LEU 66 HD22 LEU 66 -0.541 8.594 2.079 11 HD23 LEU 66 HD23 LEU 66 -2.157 8.550 1.374 No H/Q in entry = 11 In of MODEL 11 1 H TYR 67 H TYR 67 -1.853 3.349 2.753 2 HA TYR 67 HA TYR 67 -0.997 3.263 5.563 3 HB2 TYR 67 HB2 TYR 67 -1.608 1.075 3.662 4 HB3 TYR 67 HB3 TYR 67 -0.214 0.853 4.713 5 HD1 TYR 67 HD1 TYR 67 -3.830 0.827 4.497 6 HD2 TYR 67 HD2 TYR 67 -0.533 0.873 7.188 7 HE1 TYR 67 HE1 TYR 67 -5.274 -0.003 6.280 8 HE2 TYR 67 HE2 TYR 67 -1.990 0.062 8.994 9 HH TYR 67 HH TYR 67 -4.990 -1.275 8.482 No H/Q in entry = 9 In of MODEL 11 1 H TYR 68 H TYR 68 0.961 4.053 5.826 2 HA TYR 68 HA TYR 68 2.951 3.552 3.744 3 HB2 TYR 68 HB2 TYR 68 3.723 5.880 3.691 4 HB3 TYR 68 HB3 TYR 68 2.072 5.716 3.096 5 HD1 TYR 68 HD1 TYR 68 1.114 5.629 6.259 6 HD2 TYR 68 HD2 TYR 68 3.344 8.258 3.750 7 HE1 TYR 68 HE1 TYR 68 0.372 7.570 7.590 8 HE2 TYR 68 HE2 TYR 68 2.637 10.166 5.107 9 HH TYR 68 HH TYR 68 1.110 9.827 8.135 No H/Q in entry = 9 In of MODEL 11 1 H THR 69 H THR 69 5.163 4.206 4.386 2 HA THR 69 HA THR 69 5.691 4.356 7.238 3 HB THR 69 HB THR 69 5.357 1.920 6.861 4 HG1 THR 69 HG1 THR 69 8.123 2.188 7.269 5 HG21 THR 69 HG21 THR 69 7.659 2.245 4.929 6 HG22 THR 69 HG22 THR 69 7.126 0.690 5.570 7 HG23 THR 69 HG23 THR 69 6.031 1.652 4.570 No H/Q in entry = 7 In of MODEL 11 1 H GLU 70 H GLU 70 7.856 4.882 7.704 2 HA GLU 70 HA GLU 70 9.381 6.058 5.522 3 HB2 GLU 70 HB2 GLU 70 9.153 7.175 7.774 4 HB3 GLU 70 HB3 GLU 70 10.086 5.859 8.468 5 HG2 GLU 70 HG2 GLU 70 11.933 6.503 6.856 6 HG3 GLU 70 HG3 GLU 70 11.001 7.957 6.529 No H/Q in entry = 6 In of MODEL 11 1 H PHE 71 H PHE 71 11.171 5.150 4.603 2 HA PHE 71 HA PHE 71 12.326 2.753 5.771 3 HB2 PHE 71 HB2 PHE 71 11.953 1.325 3.857 4 HB3 PHE 71 HB3 PHE 71 10.405 1.899 4.451 5 HD1 PHE 71 HD1 PHE 71 11.086 0.673 1.749 6 HD2 PHE 71 HD2 PHE 71 10.752 4.707 3.050 7 HE1 PHE 71 HE1 PHE 71 10.484 1.341 -0.536 8 HE2 PHE 71 HE2 PHE 71 10.168 5.396 0.752 9 HZ PHE 71 HZ PHE 71 10.043 3.716 -1.052 No H/Q in entry = 9 In of MODEL 11 1 H THR 72 H THR 72 14.347 2.169 4.799 2 HA THR 72 HA THR 72 15.509 4.260 3.088 3 HB THR 72 HB THR 72 16.986 2.300 4.860 4 HG1 THR 72 HG1 THR 72 17.393 4.550 5.916 5 HG21 THR 72 HG21 THR 72 17.911 4.742 3.331 6 HG22 THR 72 HG22 THR 72 18.905 3.817 4.457 7 HG23 THR 72 HG23 THR 72 18.325 3.064 2.970 No H/Q in entry = 7 In of MODEL 11 1 HA PRO 73 HA PRO 73 14.862 0.638 0.255 2 HB2 PRO 73 HB2 PRO 73 15.574 2.317 -1.908 3 HB3 PRO 73 HB3 PRO 73 13.927 1.889 -1.405 4 HG2 PRO 73 HG2 PRO 73 15.530 4.327 -0.805 5 HG3 PRO 73 HG3 PRO 73 13.780 4.171 -1.060 6 HD2 PRO 73 HD2 PRO 73 14.789 4.501 1.396 7 HD3 PRO 73 HD3 PRO 73 13.408 3.417 1.114 No H/Q in entry = 7 In of MODEL 11 1 H THR 74 H THR 74 16.279 -0.646 -0.661 2 HA THR 74 HA THR 74 19.031 0.201 -1.078 3 HB THR 74 HB THR 74 19.832 -1.957 -0.149 4 HG1 THR 74 HG1 THR 74 18.165 -2.980 1.319 5 HG21 THR 74 HG21 THR 74 18.208 -0.299 1.787 6 HG22 THR 74 HG22 THR 74 19.477 -1.440 2.244 7 HG23 THR 74 HG23 THR 74 19.879 -0.004 1.304 No H/Q in entry = 7 In of MODEL 11 1 H GLU 75 H GLU 75 20.136 -1.459 -2.515 2 HA GLU 75 HA GLU 75 18.310 -2.247 -4.549 3 HB2 GLU 75 HB2 GLU 75 20.898 -3.471 -4.875 4 HB3 GLU 75 HB3 GLU 75 20.038 -2.327 -5.885 5 HG2 GLU 75 HG2 GLU 75 22.232 -1.514 -5.359 6 HG3 GLU 75 HG3 GLU 75 20.997 -0.466 -4.674 No H/Q in entry = 6 In of MODEL 11 1 H LYS 76 H LYS 76 20.028 -3.864 -2.020 2 HA LYS 76 HA LYS 76 19.533 -6.483 -2.960 3 HB2 LYS 76 HB2 LYS 76 20.443 -5.485 -0.271 4 HB3 LYS 76 HB3 LYS 76 20.530 -7.152 -0.827 5 HG2 LYS 76 HG2 LYS 76 22.033 -4.782 -1.940 6 HG3 LYS 76 HG3 LYS 76 22.702 -6.178 -1.086 7 HD2 LYS 76 HD2 LYS 76 21.961 -7.630 -2.918 8 HD3 LYS 76 HD3 LYS 76 21.321 -6.219 -3.764 9 HE2 LYS 76 HE2 LYS 76 23.580 -5.260 -3.837 10 HE3 LYS 76 HE3 LYS 76 24.203 -6.692 -3.019 11 HZ1 LYS 76 HZ1 LYS 76 23.387 -8.023 -4.910 12 HZ2 LYS 76 HZ2 LYS 76 22.937 -6.592 -5.702 13 HZ3 LYS 76 HZ3 LYS 76 24.571 -6.895 -5.365 No H/Q in entry = 13 In of MODEL 11 1 H ASP 77 H ASP 77 17.787 -4.328 -0.734 2 HA ASP 77 HA ASP 77 16.129 -6.596 0.143 3 HB2 ASP 77 HB2 ASP 77 16.968 -4.444 1.582 4 HB3 ASP 77 HB3 ASP 77 15.376 -3.884 1.058 No H/Q in entry = 4 In of MODEL 11 1 H GLU 78 H GLU 78 13.616 -5.660 0.432 2 HA GLU 78 HA GLU 78 12.714 -4.361 -1.982 3 HB2 GLU 78 HB2 GLU 78 13.328 -6.620 -2.794 4 HB3 GLU 78 HB3 GLU 78 12.191 -7.332 -1.660 5 HG2 GLU 78 HG2 GLU 78 11.183 -7.256 -3.826 6 HG3 GLU 78 HG3 GLU 78 10.371 -6.042 -2.832 No H/Q in entry = 6 In of MODEL 11 1 H TYR 79 H TYR 79 10.474 -3.835 -1.859 2 HA TYR 79 HA TYR 79 9.152 -4.807 0.561 3 HB2 TYR 79 HB2 TYR 79 8.714 -1.957 -0.320 4 HB3 TYR 79 HB3 TYR 79 8.393 -2.703 1.245 5 HD1 TYR 79 HD1 TYR 79 9.723 -2.085 2.987 6 HD2 TYR 79 HD2 TYR 79 11.374 -1.990 -0.933 7 HE1 TYR 79 HE1 TYR 79 11.820 -1.161 3.893 8 HE2 TYR 79 HE2 TYR 79 13.474 -1.087 -0.030 9 HH TYR 79 HH TYR 79 14.241 0.169 1.956 No H/Q in entry = 9 In of MODEL 11 1 H ALA 80 H ALA 80 6.838 -4.649 0.554 2 HA ALA 80 HA ALA 80 5.633 -4.572 -2.126 3 HB1 ALA 80 HB1 ALA 80 6.427 -6.885 -1.786 4 HB2 ALA 80 HB2 ALA 80 4.677 -6.767 -1.968 5 HB3 ALA 80 HB3 ALA 80 5.380 -7.002 -0.369 No H/Q in entry = 5 In of MODEL 11 1 H CYS 81 H CYS 81 3.229 -4.769 -2.063 2 HA CYS 81 HA CYS 81 2.142 -3.699 0.467 3 HB2 CYS 81 HB2 CYS 81 1.772 -2.961 -2.376 4 HB3 CYS 81 HB3 CYS 81 0.301 -3.010 -1.413 No H/Q in entry = 4 In of MODEL 11 1 H ARG 82 H ARG 82 0.548 -4.877 1.413 2 HA ARG 82 HA ARG 82 -0.735 -7.043 -0.155 3 HB2 ARG 82 HB2 ARG 82 0.804 -7.627 1.861 4 HB3 ARG 82 HB3 ARG 82 -0.515 -6.992 2.840 5 HG2 ARG 82 HG2 ARG 82 -2.005 -8.653 1.568 6 HG3 ARG 82 HG3 ARG 82 -0.487 -9.422 1.093 7 HD2 ARG 82 HD2 ARG 82 -1.496 -8.973 3.897 8 HD3 ARG 82 HD3 ARG 82 -1.331 -10.510 3.069 9 HE ARG 82 HE ARG 82 0.876 -8.845 4.061 10 HH11 ARG 82 HH11 ARG 82 -0.390 -11.934 2.964 11 HH12 ARG 82 HH12 ARG 82 1.072 -12.803 3.320 12 HH21 ARG 82 HH21 ARG 82 2.752 -10.021 4.623 13 HH22 ARG 82 HH22 ARG 82 2.833 -11.732 4.327 No H/Q in entry = 13 In of MODEL 11 1 H VAL 83 H VAL 83 -2.981 -7.084 -0.160 2 HA VAL 83 HA VAL 83 -4.316 -5.574 1.988 3 HB VAL 83 HB VAL 83 -5.853 -4.481 0.661 4 HG11 VAL 83 HG11 VAL 83 -3.320 -4.500 -0.920 5 HG12 VAL 83 HG12 VAL 83 -4.613 -3.309 -1.069 6 HG13 VAL 83 HG13 VAL 83 -3.723 -3.460 0.447 7 HG21 VAL 83 HG21 VAL 83 -5.100 -6.264 -1.644 8 HG22 VAL 83 HG22 VAL 83 -6.590 -6.336 -0.703 9 HG23 VAL 83 HG23 VAL 83 -6.251 -4.932 -1.716 No H/Q in entry = 9 In of MODEL 11 1 H ASN 84 H ASN 84 -6.104 -6.447 2.781 2 HA ASN 84 HA ASN 84 -6.950 -9.039 1.710 3 HB2 ASN 84 HB2 ASN 84 -7.178 -8.080 4.581 4 HB3 ASN 84 HB3 ASN 84 -7.579 -9.679 3.982 5 HD21 ASN 84 HD21 ASN 84 -4.931 -7.442 4.534 6 HD22 ASN 84 HD22 ASN 84 -3.695 -8.648 4.671 No H/Q in entry = 6 In of MODEL 11 1 H HIS 85 H HIS 85 -8.984 -9.078 0.893 2 HA HIS 85 HA HIS 85 -11.076 -7.749 2.381 3 HB2 HIS 85 HB2 HIS 85 -10.123 -6.238 0.440 4 HB3 HIS 85 HB3 HIS 85 -11.051 -7.329 -0.585 5 HD2 HIS 85 HD2 HIS 85 -11.748 -4.871 2.421 6 HE1 HIS 85 HE1 HIS 85 -15.247 -5.373 0.088 7 HE2 HIS 85 HE2 HIS 85 -14.179 -4.064 1.974 No H/Q in entry = 7 In of MODEL 11 1 H VAL 86 H VAL 86 -13.223 -8.501 1.581 2 HA VAL 86 HA VAL 86 -13.161 -11.321 1.372 3 HB VAL 86 HB VAL 86 -15.592 -11.229 1.284 4 HG11 VAL 86 HG11 VAL 86 -14.418 -9.252 3.234 5 HG12 VAL 86 HG12 VAL 86 -15.999 -10.019 3.383 6 HG13 VAL 86 HG13 VAL 86 -14.533 -10.998 3.451 7 HG21 VAL 86 HG21 VAL 86 -15.836 -9.322 -0.235 8 HG22 VAL 86 HG22 VAL 86 -16.801 -9.113 1.227 9 HG23 VAL 86 HG23 VAL 86 -15.283 -8.237 1.039 No H/Q in entry = 9 In of MODEL 11 1 H THR 87 H THR 87 -13.204 -8.825 -1.021 2 HA THR 87 HA THR 87 -14.472 -10.367 -3.056 3 HB THR 87 HB THR 87 -13.870 -8.587 -4.556 4 HG1 THR 87 HG1 THR 87 -11.719 -8.237 -3.977 5 HG21 THR 87 HG21 THR 87 -15.616 -8.123 -2.837 6 HG22 THR 87 HG22 THR 87 -14.374 -7.320 -1.873 7 HG23 THR 87 HG23 THR 87 -14.809 -6.679 -3.458 No H/Q in entry = 7 In of MODEL 11 1 H LEU 88 H LEU 88 -11.168 -9.755 -2.070 2 HA LEU 88 HA LEU 88 -10.050 -11.082 -4.363 3 HB2 LEU 88 HB2 LEU 88 -8.771 -10.132 -1.785 4 HB3 LEU 88 HB3 LEU 88 -7.890 -10.800 -3.146 5 HG LEU 88 HG LEU 88 -9.418 -8.203 -3.059 6 HD11 LEU 88 HD11 LEU 88 -7.166 -8.180 -2.058 7 HD12 LEU 88 HD12 LEU 88 -6.503 -8.794 -3.582 8 HD13 LEU 88 HD13 LEU 88 -7.260 -7.197 -3.529 9 HD21 LEU 88 HD21 LEU 88 -8.124 -9.570 -5.412 10 HD22 LEU 88 HD22 LEU 88 -9.844 -9.243 -5.198 11 HD23 LEU 88 HD23 LEU 88 -8.709 -7.908 -5.401 No H/Q in entry = 11 In of MODEL 11 1 H SER 89 H SER 89 -10.142 -13.227 -4.520 2 HA SER 89 HA SER 89 -10.935 -14.896 -2.392 3 HB2 SER 89 HB2 SER 89 -10.489 -16.755 -3.960 4 HB3 SER 89 HB3 SER 89 -11.392 -15.454 -4.729 5 HG SER 89 HG SER 89 -9.091 -16.511 -5.492 No H/Q in entry = 5 In of MODEL 11 1 H GLN 90 H GLN 90 -7.899 -13.647 -3.311 2 HA GLN 90 HA GLN 90 -6.626 -15.027 -1.088 3 HB2 GLN 90 HB2 GLN 90 -5.114 -14.500 -3.644 4 HB3 GLN 90 HB3 GLN 90 -4.671 -15.555 -2.317 5 HG2 GLN 90 HG2 GLN 90 -6.060 -17.268 -3.039 6 HG3 GLN 90 HG3 GLN 90 -7.048 -16.179 -4.023 7 HE21 GLN 90 HE21 GLN 90 -6.801 -17.501 -5.828 8 HE22 GLN 90 HE22 GLN 90 -5.316 -17.558 -6.720 No H/Q in entry = 8 In of MODEL 11 1 HA PRO 91 HA PRO 91 -5.856 -10.547 -0.275 2 HB2 PRO 91 HB2 PRO 91 -3.523 -11.949 1.019 3 HB3 PRO 91 HB3 PRO 91 -4.426 -10.514 1.566 4 HG2 PRO 91 HG2 PRO 91 -5.008 -12.830 2.639 5 HG3 PRO 91 HG3 PRO 91 -6.333 -11.764 2.087 6 HD2 PRO 91 HD2 PRO 91 -5.206 -14.254 0.804 7 HD3 PRO 91 HD3 PRO 91 -6.909 -13.702 0.869 No H/Q in entry = 7 In of MODEL 11 1 H LYS 92 H LYS 92 -4.638 -9.085 -1.282 2 HA LYS 92 HA LYS 92 -3.085 -10.201 -3.462 3 HB2 LYS 92 HB2 LYS 92 -5.074 -8.673 -3.816 4 HB3 LYS 92 HB3 LYS 92 -4.062 -7.373 -3.201 5 HG2 LYS 92 HG2 LYS 92 -3.995 -7.376 -5.598 6 HG3 LYS 92 HG3 LYS 92 -2.418 -7.860 -4.950 7 HD2 LYS 92 HD2 LYS 92 -3.011 -9.312 -6.792 8 HD3 LYS 92 HD3 LYS 92 -3.038 -10.213 -5.272 9 HE2 LYS 92 HE2 LYS 92 -5.467 -9.998 -5.179 10 HE3 LYS 92 HE3 LYS 92 -5.450 -9.084 -6.686 11 HZ1 LYS 92 HZ1 LYS 92 -4.472 -11.876 -6.417 12 HZ2 LYS 92 HZ2 LYS 92 -6.026 -11.460 -6.956 13 HZ3 LYS 92 HZ3 LYS 92 -4.666 -10.997 -7.857 No H/Q in entry = 13 In of MODEL 11 1 H ILE 93 H ILE 93 -1.000 -9.993 -3.607 2 HA ILE 93 HA ILE 93 0.314 -7.833 -2.105 3 HB ILE 93 HB ILE 93 1.456 -10.501 -2.926 4 HG12 ILE 93 HG12 ILE 93 1.952 -10.574 -0.398 5 HG13 ILE 93 HG13 ILE 93 0.785 -9.272 -0.261 6 HG21 ILE 93 HG21 ILE 93 3.106 -8.754 -3.282 7 HG22 ILE 93 HG22 ILE 93 2.854 -8.169 -1.634 8 HG23 ILE 93 HG23 ILE 93 3.553 -9.765 -1.904 9 HD11 ILE 93 HD11 ILE 93 0.242 -12.011 -1.372 10 HD12 ILE 93 HD12 ILE 93 -0.199 -11.432 0.235 11 HD13 ILE 93 HD13 ILE 93 -0.933 -10.708 -1.195 No H/Q in entry = 11 In of MODEL 11 1 H VAL 94 H VAL 94 1.315 -6.361 -3.236 2 HA VAL 94 HA VAL 94 2.242 -7.007 -5.945 3 HB VAL 94 HB VAL 94 0.994 -4.394 -5.056 4 HG11 VAL 94 HG11 VAL 94 2.901 -4.000 -6.537 5 HG12 VAL 94 HG12 VAL 94 2.220 -5.120 -7.716 6 HG13 VAL 94 HG13 VAL 94 1.378 -3.617 -7.341 7 HG21 VAL 94 HG21 VAL 94 -0.628 -6.158 -5.554 8 HG22 VAL 94 HG22 VAL 94 -0.687 -4.874 -6.760 9 HG23 VAL 94 HG23 VAL 94 0.115 -6.399 -7.134 No H/Q in entry = 9 In of MODEL 11 1 H LYS 95 H LYS 95 4.296 -6.569 -6.260 2 HA LYS 95 HA LYS 95 5.854 -5.676 -3.983 3 HB2 LYS 95 HB2 LYS 95 6.593 -6.750 -6.676 4 HB3 LYS 95 HB3 LYS 95 7.790 -6.059 -5.591 5 HG2 LYS 95 HG2 LYS 95 7.110 -7.729 -3.881 6 HG3 LYS 95 HG3 LYS 95 6.089 -8.488 -5.110 7 HD2 LYS 95 HD2 LYS 95 7.938 -9.017 -6.468 8 HD3 LYS 95 HD3 LYS 95 9.010 -7.964 -5.550 9 HE2 LYS 95 HE2 LYS 95 9.501 -10.234 -4.976 10 HE3 LYS 95 HE3 LYS 95 8.718 -9.465 -3.595 11 HZ1 LYS 95 HZ1 LYS 95 6.624 -10.522 -4.272 12 HZ2 LYS 95 HZ2 LYS 95 7.413 -11.274 -5.568 13 HZ3 LYS 95 HZ3 LYS 95 7.830 -11.674 -3.974 No H/Q in entry = 13 In of MODEL 11 1 H TRP 96 H TRP 96 7.117 -3.846 -3.884 2 HA TRP 96 HA TRP 96 6.365 -1.698 -5.675 3 HB2 TRP 96 HB2 TRP 96 6.556 -1.216 -3.256 4 HB3 TRP 96 HB3 TRP 96 8.233 -1.755 -3.267 5 HD1 TRP 96 HD1 TRP 96 6.072 1.036 -4.908 6 HE1 TRP 96 HE1 TRP 96 7.626 3.067 -5.309 7 HE3 TRP 96 HE3 TRP 96 10.495 -0.958 -3.294 8 HZ2 TRP 96 HZ2 TRP 96 10.336 3.716 -5.011 9 HZ3 TRP 96 HZ3 TRP 96 12.519 0.429 -3.363 10 HH2 TRP 96 HH2 TRP 96 12.432 2.741 -4.197 No H/Q in entry = 10 In of MODEL 11 1 H ASP 97 H ASP 97 7.725 -0.812 -7.183 2 HA ASP 97 HA ASP 97 10.514 -1.612 -7.174 3 HB2 ASP 97 HB2 ASP 97 8.976 -3.193 -8.706 4 HB3 ASP 97 HB3 ASP 97 9.323 -1.899 -9.856 No H/Q in entry = 4 In of MODEL 11 1 H ARG 98 H ARG 98 11.754 -0.549 -8.812 2 HA ARG 98 HA ARG 98 10.730 2.159 -9.345 3 HB2 ARG 98 HB2 ARG 98 13.195 2.801 -9.163 4 HB3 ARG 98 HB3 ARG 98 12.373 2.419 -7.672 5 HG2 ARG 98 HG2 ARG 98 13.964 0.319 -9.133 6 HG3 ARG 98 HG3 ARG 98 14.775 1.491 -8.117 7 HD2 ARG 98 HD2 ARG 98 14.420 0.137 -6.359 8 HD3 ARG 98 HD3 ARG 98 12.682 0.429 -6.557 9 HE ARG 98 HE ARG 98 13.481 -1.592 -8.341 10 HH11 ARG 98 HH11 ARG 98 13.037 -1.050 -4.906 11 HH12 ARG 98 HH12 ARG 98 12.612 -2.704 -4.568 12 HH21 ARG 98 HH21 ARG 98 12.945 -3.779 -7.868 13 HH22 ARG 98 HH22 ARG 98 12.581 -4.241 -6.227 No H/Q in entry = 13 In of MODEL 11 1 H ASP 99 H ASP 99 12.532 -0.645 -10.487 2 HA ASP 99 HA ASP 99 12.913 0.718 -13.083 3 HB2 ASP 99 HB2 ASP 99 14.614 -1.430 -11.795 4 HB3 ASP 99 HB3 ASP 99 14.859 -0.789 -13.415 No H/Q in entry = 4 In of MODEL 11 1 H MET 100 H MET 100 11.555 -1.898 -11.392 2 HA MET 100 HA MET 100 11.268 -3.451 -13.901 3 HB2 MET 100 HB2 MET 100 10.925 -4.667 -11.180 4 HB3 MET 100 HB3 MET 100 11.443 -5.423 -12.683 5 HG2 MET 100 HG2 MET 100 13.100 -3.405 -11.192 6 HG3 MET 100 HG3 MET 100 13.214 -5.151 -10.921 7 HE1 MET 100 HE1 MET 100 14.031 -6.878 -12.730 8 HE2 MET 100 HE2 MET 100 12.794 -6.304 -13.849 9 HE3 MET 100 HE3 MET 100 14.468 -6.445 -14.383 No H/Q in entry = 9 In of MODEL 12 1 HA ILE 2 HA ILE 2 -21.666 -6.606 -6.165 2 HB ILE 2 HB ILE 2 -22.159 -6.757 -3.720 3 HG12 ILE 2 HG12 ILE 2 -21.155 -9.608 -3.983 4 HG13 ILE 2 HG13 ILE 2 -20.362 -8.330 -3.066 5 HG21 ILE 2 HG21 ILE 2 -23.231 -9.017 -5.402 6 HG22 ILE 2 HG22 ILE 2 -23.957 -8.430 -3.904 7 HG23 ILE 2 HG23 ILE 2 -23.865 -7.372 -5.313 8 HD11 ILE 2 HD11 ILE 2 -22.303 -8.207 -1.581 9 HD12 ILE 2 HD12 ILE 2 -23.069 -9.511 -2.491 10 HD13 ILE 2 HD13 ILE 2 -21.576 -9.815 -1.602 No H/Q in entry = 10 In of MODEL 12 1 H GLN 3 H GLN 3 -20.926 -5.105 -4.282 2 HA GLN 3 HA GLN 3 -19.301 -3.970 -3.135 3 HB2 GLN 3 HB2 GLN 3 -18.911 -6.370 -2.252 4 HB3 GLN 3 HB3 GLN 3 -17.559 -6.445 -3.363 5 HG2 GLN 3 HG2 GLN 3 -16.689 -5.883 -1.234 6 HG3 GLN 3 HG3 GLN 3 -16.634 -4.412 -2.204 7 HE21 GLN 3 HE21 GLN 3 -16.751 -4.906 0.722 8 HE22 GLN 3 HE22 GLN 3 -18.100 -3.989 1.284 No H/Q in entry = 8 In of MODEL 12 1 H ARG 4 H ARG 4 -16.319 -4.858 -3.858 2 HA ARG 4 HA ARG 4 -16.030 -4.246 -6.600 3 HB2 ARG 4 HB2 ARG 4 -14.622 -2.075 -5.133 4 HB3 ARG 4 HB3 ARG 4 -15.180 -2.120 -6.781 5 HG2 ARG 4 HG2 ARG 4 -17.516 -1.955 -5.290 6 HG3 ARG 4 HG3 ARG 4 -16.380 -0.887 -4.430 7 HD2 ARG 4 HD2 ARG 4 -17.297 -0.726 -7.305 8 HD3 ARG 4 HD3 ARG 4 -17.508 0.462 -6.016 9 HE ARG 4 HE ARG 4 -14.817 -0.208 -7.032 10 HH11 ARG 4 HH11 ARG 4 -17.374 2.123 -6.443 11 HH12 ARG 4 HH12 ARG 4 -16.396 3.496 -6.861 12 HH21 ARG 4 HH21 ARG 4 -13.519 1.606 -7.593 13 HH22 ARG 4 HH22 ARG 4 -14.209 3.206 -7.518 No H/Q in entry = 13 In of MODEL 12 1 H THR 5 H THR 5 -13.973 -4.865 -7.219 2 HA THR 5 HA THR 5 -12.446 -6.120 -5.121 3 HB THR 5 HB THR 5 -11.003 -7.000 -6.864 4 HG1 THR 5 HG1 THR 5 -11.195 -4.973 -8.175 5 HG21 THR 5 HG21 THR 5 -13.949 -7.134 -7.439 6 HG22 THR 5 HG22 THR 5 -12.772 -8.052 -8.375 7 HG23 THR 5 HG23 THR 5 -12.919 -8.326 -6.644 No H/Q in entry = 7 In of MODEL 12 1 HA PRO 6 HA PRO 6 -10.317 -2.223 -4.630 2 HB2 PRO 6 HB2 PRO 6 -8.709 -3.545 -2.585 3 HB3 PRO 6 HB3 PRO 6 -9.851 -2.210 -2.414 4 HG2 PRO 6 HG2 PRO 6 -10.304 -4.741 -1.472 5 HG3 PRO 6 HG3 PRO 6 -11.596 -3.594 -1.898 6 HD2 PRO 6 HD2 PRO 6 -10.574 -5.964 -3.403 7 HD3 PRO 6 HD3 PRO 6 -12.209 -5.254 -3.352 No H/Q in entry = 7 In of MODEL 12 1 H LYS 7 H LYS 7 -8.608 -1.619 -5.849 2 HA LYS 7 HA LYS 7 -6.904 -3.788 -6.835 3 HB2 LYS 7 HB2 LYS 7 -8.240 -2.360 -8.443 4 HB3 LYS 7 HB3 LYS 7 -7.227 -1.000 -7.979 5 HG2 LYS 7 HG2 LYS 7 -5.253 -2.234 -8.780 6 HG3 LYS 7 HG3 LYS 7 -6.317 -3.539 -9.313 7 HD2 LYS 7 HD2 LYS 7 -7.495 -1.918 -10.772 8 HD3 LYS 7 HD3 LYS 7 -6.325 -0.687 -10.298 9 HE2 LYS 7 HE2 LYS 7 -5.670 -1.607 -12.418 10 HE3 LYS 7 HE3 LYS 7 -4.517 -2.127 -11.190 11 HZ1 LYS 7 HZ1 LYS 7 -6.777 -3.769 -12.203 12 HZ2 LYS 7 HZ2 LYS 7 -5.163 -3.923 -12.707 13 HZ3 LYS 7 HZ3 LYS 7 -5.588 -4.271 -11.101 No H/Q in entry = 13 In of MODEL 12 1 H ILE 8 H ILE 8 -4.636 -3.509 -7.000 2 HA ILE 8 HA ILE 8 -3.667 -2.018 -4.683 3 HB ILE 8 HB ILE 8 -1.965 -3.903 -6.270 4 HG12 ILE 8 HG12 ILE 8 -3.995 -5.170 -5.925 5 HG13 ILE 8 HG13 ILE 8 -2.766 -5.754 -4.818 6 HG21 ILE 8 HG21 ILE 8 -0.925 -2.598 -4.500 7 HG22 ILE 8 HG22 ILE 8 -2.113 -3.195 -3.342 8 HG23 ILE 8 HG23 ILE 8 -0.954 -4.308 -4.070 9 HD11 ILE 8 HD11 ILE 8 -3.786 -4.472 -3.013 10 HD12 ILE 8 HD12 ILE 8 -5.024 -3.899 -4.130 11 HD13 ILE 8 HD13 ILE 8 -4.920 -5.615 -3.735 No H/Q in entry = 11 In of MODEL 12 1 H GLN 9 H GLN 9 -2.719 -0.152 -4.961 2 HA GLN 9 HA GLN 9 -0.859 0.089 -7.223 3 HB2 GLN 9 HB2 GLN 9 -1.805 2.715 -6.308 4 HB3 GLN 9 HB3 GLN 9 -1.780 2.128 -7.974 5 HG2 GLN 9 HG2 GLN 9 -3.880 1.157 -7.814 6 HG3 GLN 9 HG3 GLN 9 -3.905 1.228 -6.057 7 HE21 GLN 9 HE21 GLN 9 -2.804 3.867 -8.063 8 HE22 GLN 9 HE22 GLN 9 -4.123 4.939 -7.719 No H/Q in entry = 8 In of MODEL 12 1 H VAL 10 H VAL 10 1.089 0.180 -6.415 2 HA VAL 10 HA VAL 10 1.571 1.648 -3.929 3 HB VAL 10 HB VAL 10 1.796 -0.528 -3.107 4 HG11 VAL 10 HG11 VAL 10 1.595 -1.639 -5.309 5 HG12 VAL 10 HG12 VAL 10 3.323 -1.384 -5.555 6 HG13 VAL 10 HG13 VAL 10 2.758 -2.399 -4.221 7 HG21 VAL 10 HG21 VAL 10 4.545 0.291 -4.037 8 HG22 VAL 10 HG22 VAL 10 3.766 0.706 -2.510 9 HG23 VAL 10 HG23 VAL 10 4.228 -0.965 -2.842 No H/Q in entry = 9 In of MODEL 12 1 H TYR 11 H TYR 11 3.031 3.123 -4.048 2 HA TYR 11 HA TYR 11 5.010 3.099 -6.208 3 HB2 TYR 11 HB2 TYR 11 3.403 5.620 -5.660 4 HB3 TYR 11 HB3 TYR 11 4.488 5.296 -6.998 5 HD1 TYR 11 HD1 TYR 11 3.726 3.375 -8.629 6 HD2 TYR 11 HD2 TYR 11 1.115 5.464 -5.998 7 HE1 TYR 11 HE1 TYR 11 1.811 2.787 -10.058 8 HE2 TYR 11 HE2 TYR 11 -0.791 4.902 -7.422 9 HH TYR 11 HH TYR 11 -0.623 2.541 -9.863 No H/Q in entry = 9 In of MODEL 12 1 H SER 12 H SER 12 6.746 4.716 -5.761 2 HA SER 12 HA SER 12 7.033 5.201 -2.918 3 HB2 SER 12 HB2 SER 12 8.949 4.355 -4.257 4 HB3 SER 12 HB3 SER 12 8.898 5.824 -5.226 5 HG SER 12 HG SER 12 9.935 6.831 -3.727 No H/Q in entry = 5 In of MODEL 12 1 H ARG 13 H ARG 13 6.963 7.249 -1.978 2 HA ARG 13 HA ARG 13 5.313 9.188 -3.185 3 HB2 ARG 13 HB2 ARG 13 6.101 8.837 -0.692 4 HB3 ARG 13 HB3 ARG 13 7.377 9.956 -1.131 5 HG2 ARG 13 HG2 ARG 13 4.419 10.466 -1.014 6 HG3 ARG 13 HG3 ARG 13 5.687 11.215 -0.062 7 HD2 ARG 13 HD2 ARG 13 5.569 12.894 -1.540 8 HD3 ARG 13 HD3 ARG 13 6.388 11.803 -2.646 9 HE ARG 13 HE ARG 13 4.166 11.143 -3.464 10 HH11 ARG 13 HH11 ARG 13 4.552 14.208 -1.825 11 HH12 ARG 13 HH12 ARG 13 3.125 14.911 -2.517 12 HH21 ARG 13 HH21 ARG 13 2.289 12.057 -4.397 13 HH22 ARG 13 HH22 ARG 13 1.842 13.687 -3.984 No H/Q in entry = 13 In of MODEL 12 1 H HIS 14 H HIS 14 8.809 9.073 -2.853 2 HA HIS 14 HA HIS 14 9.041 10.937 -5.094 3 HB2 HIS 14 HB2 HIS 14 10.465 11.059 -2.444 4 HB3 HIS 14 HB3 HIS 14 11.229 11.732 -3.879 5 HD2 HIS 14 HD2 HIS 14 7.871 12.736 -4.675 6 HE1 HIS 14 HE1 HIS 14 9.014 15.537 -1.714 7 HE2 HIS 14 HE2 HIS 14 7.476 15.097 -3.680 No H/Q in entry = 7 In of MODEL 12 1 HA PRO 15 HA PRO 15 11.927 8.297 -7.161 2 HB2 PRO 15 HB2 PRO 15 14.503 9.348 -6.682 3 HB3 PRO 15 HB3 PRO 15 13.453 9.686 -8.071 4 HG2 PRO 15 HG2 PRO 15 13.894 11.311 -5.579 5 HG3 PRO 15 HG3 PRO 15 13.524 11.851 -7.251 6 HD2 PRO 15 HD2 PRO 15 11.653 11.878 -5.310 7 HD3 PRO 15 HD3 PRO 15 11.238 11.464 -7.001 No H/Q in entry = 7 In of MODEL 12 1 H ALA 16 H ALA 16 13.118 6.471 -6.872 2 HA ALA 16 HA ALA 16 13.463 5.580 -4.152 3 HB1 ALA 16 HB1 ALA 16 12.534 4.095 -5.885 4 HB2 ALA 16 HB2 ALA 16 14.071 4.163 -6.748 5 HB3 ALA 16 HB3 ALA 16 13.990 3.424 -5.149 No H/Q in entry = 5 In of MODEL 12 1 H GLU 17 H GLU 17 15.261 6.176 -3.078 2 HA GLU 17 HA GLU 17 17.796 6.065 -4.548 3 HB2 GLU 17 HB2 GLU 17 16.831 8.277 -3.404 4 HB3 GLU 17 HB3 GLU 17 17.584 7.565 -1.988 5 HG2 GLU 17 HG2 GLU 17 19.055 8.044 -4.550 6 HG3 GLU 17 HG3 GLU 17 18.963 9.242 -3.282 No H/Q in entry = 6 In of MODEL 12 1 H ASN 18 H ASN 18 19.031 4.519 -4.051 2 HA ASN 18 HA ASN 18 18.469 2.807 -1.786 3 HB2 ASN 18 HB2 ASN 18 18.940 1.513 -3.600 4 HB3 ASN 18 HB3 ASN 18 20.158 2.616 -4.239 5 HD21 ASN 18 HD21 ASN 18 21.571 0.949 -4.639 6 HD22 ASN 18 HD22 ASN 18 22.407 0.093 -3.383 No H/Q in entry = 6 In of MODEL 12 1 H GLY 19 H GLY 19 19.329 2.903 0.113 2 HA2 GLY 19 HA2 GLY 19 21.929 4.179 0.527 3 HA3 GLY 19 HA3 GLY 19 20.978 3.308 1.739 No H/Q in entry = 3 In of MODEL 12 1 H LYS 20 H LYS 20 18.621 4.921 0.555 2 HA LYS 20 HA LYS 20 19.143 7.451 1.986 3 HB2 LYS 20 HB2 LYS 20 19.082 7.582 -0.547 4 HB3 LYS 20 HB3 LYS 20 17.404 7.077 -0.448 5 HG2 LYS 20 HG2 LYS 20 17.184 9.345 -0.619 6 HG3 LYS 20 HG3 LYS 20 17.126 9.112 1.126 7 HD2 LYS 20 HD2 LYS 20 19.677 9.539 1.024 8 HD3 LYS 20 HD3 LYS 20 19.355 10.214 -0.563 9 HE2 LYS 20 HE2 LYS 20 18.163 11.153 2.054 10 HE3 LYS 20 HE3 LYS 20 19.353 11.999 1.065 11 HZ1 LYS 20 HZ1 LYS 20 17.698 12.136 -0.713 12 HZ2 LYS 20 HZ2 LYS 20 16.552 11.379 0.276 13 HZ3 LYS 20 HZ3 LYS 20 17.160 12.903 0.699 No H/Q in entry = 13 In of MODEL 12 1 H SER 21 H SER 21 17.527 8.179 3.308 2 HA SER 21 HA SER 21 15.324 6.459 3.905 3 HB2 SER 21 HB2 SER 21 15.974 9.277 4.765 4 HB3 SER 21 HB3 SER 21 14.677 8.295 5.446 5 HG SER 21 HG SER 21 16.776 6.780 5.593 No H/Q in entry = 5 In of MODEL 12 1 H ASN 22 H ASN 22 13.256 6.655 3.255 2 HA ASN 22 HA ASN 22 12.431 8.857 1.520 3 HB2 ASN 22 HB2 ASN 22 13.688 6.839 0.263 4 HB3 ASN 22 HB3 ASN 22 12.087 6.107 0.383 5 HD21 ASN 22 HD21 ASN 22 11.532 6.170 -1.749 6 HD22 ASN 22 HD22 ASN 22 11.372 7.625 -2.660 No H/Q in entry = 6 In of MODEL 12 1 H PHE 23 H PHE 23 10.062 8.099 0.580 2 HA PHE 23 HA PHE 23 8.657 7.010 2.928 3 HB2 PHE 23 HB2 PHE 23 7.940 9.390 1.210 4 HB3 PHE 23 HB3 PHE 23 6.790 8.611 2.285 5 HD1 PHE 23 HD1 PHE 23 6.562 9.401 4.426 6 HD2 PHE 23 HD2 PHE 23 10.167 10.201 2.313 7 HE1 PHE 23 HE1 PHE 23 7.312 10.854 6.264 8 HE2 PHE 23 HE2 PHE 23 10.930 11.647 4.153 9 HZ PHE 23 HZ PHE 23 9.501 11.971 6.133 No H/Q in entry = 9 In of MODEL 12 1 H LEU 24 H LEU 24 7.510 5.257 2.451 2 HA LEU 24 HA LEU 24 7.025 4.495 -0.303 3 HB2 LEU 24 HB2 LEU 24 7.367 3.156 2.088 4 HB3 LEU 24 HB3 LEU 24 5.659 2.942 1.761 5 HG LEU 24 HG LEU 24 7.967 2.081 -0.024 6 HD11 LEU 24 HD11 LEU 24 5.957 0.498 1.579 7 HD12 LEU 24 HD12 LEU 24 7.174 -0.180 0.496 8 HD13 LEU 24 HD13 LEU 24 7.670 0.689 1.950 9 HD21 LEU 24 HD21 LEU 24 4.983 1.820 -0.452 10 HD22 LEU 24 HD22 LEU 24 6.128 2.713 -1.454 11 HD23 LEU 24 HD23 LEU 24 6.211 0.955 -1.374 No H/Q in entry = 11 In of MODEL 12 1 H ASN 25 H ASN 25 4.863 3.956 -1.071 2 HA ASN 25 HA ASN 25 2.668 5.181 0.401 3 HB2 ASN 25 HB2 ASN 25 3.348 6.975 -1.047 4 HB3 ASN 25 HB3 ASN 25 3.466 5.895 -2.433 5 HD21 ASN 25 HD21 ASN 25 1.367 7.684 -0.346 6 HD22 ASN 25 HD22 ASN 25 -0.057 7.532 -1.320 No H/Q in entry = 6 In of MODEL 12 1 H CYS 26 H CYS 26 0.993 3.843 0.448 2 HA CYS 26 HA CYS 26 0.608 1.960 -1.772 3 HB2 CYS 26 HB2 CYS 26 1.604 0.994 0.436 4 HB3 CYS 26 HB3 CYS 26 -0.043 1.176 1.053 No H/Q in entry = 4 In of MODEL 12 1 H TYR 27 H TYR 27 -1.291 2.180 -2.650 2 HA TYR 27 HA TYR 27 -3.422 3.589 -1.176 3 HB2 TYR 27 HB2 TYR 27 -2.155 4.215 -3.758 4 HB3 TYR 27 HB3 TYR 27 -3.907 4.144 -3.832 5 HD1 TYR 27 HD1 TYR 27 -5.213 5.642 -2.145 6 HD2 TYR 27 HD2 TYR 27 -1.082 6.151 -3.038 7 HE1 TYR 27 HE1 TYR 27 -5.353 7.982 -1.428 8 HE2 TYR 27 HE2 TYR 27 -1.209 8.487 -2.289 9 HH TYR 27 HH TYR 27 -3.813 9.711 -0.523 No H/Q in entry = 9 In of MODEL 12 1 H VAL 28 H VAL 28 -4.959 2.100 -0.839 2 HA VAL 28 HA VAL 28 -5.584 0.312 -3.095 3 HB VAL 28 HB VAL 28 -6.469 -0.243 -0.280 4 HG11 VAL 28 HG11 VAL 28 -5.924 -1.973 -2.682 5 HG12 VAL 28 HG12 VAL 28 -6.447 -2.563 -1.103 6 HG13 VAL 28 HG13 VAL 28 -7.507 -1.521 -2.050 7 HG21 VAL 28 HG21 VAL 28 -3.803 -0.930 -1.498 8 HG22 VAL 28 HG22 VAL 28 -4.105 -0.014 -0.020 9 HG23 VAL 28 HG23 VAL 28 -4.471 -1.741 -0.080 No H/Q in entry = 9 In of MODEL 12 1 H SER 29 H SER 29 -7.414 0.778 -4.141 2 HA SER 29 HA SER 29 -9.572 2.121 -2.674 3 HB2 SER 29 HB2 SER 29 -9.913 3.549 -4.747 4 HB3 SER 29 HB3 SER 29 -8.477 3.916 -3.789 5 HG SER 29 HG SER 29 -7.205 2.983 -5.309 No H/Q in entry = 5 In of MODEL 12 1 H GLY 30 H GLY 30 -11.663 2.088 -3.877 2 HA2 GLY 30 HA2 GLY 30 -11.972 -0.008 -5.860 3 HA3 GLY 30 HA3 GLY 30 -13.231 1.075 -5.274 No H/Q in entry = 3 In of MODEL 12 1 H PHE 31 H PHE 31 -14.605 0.254 -3.605 2 HA PHE 31 HA PHE 31 -14.602 -2.092 -2.556 3 HB2 PHE 31 HB2 PHE 31 -13.280 -2.346 -0.610 4 HB3 PHE 31 HB3 PHE 31 -12.232 -1.950 -1.975 5 HD1 PHE 31 HD1 PHE 31 -13.800 -0.547 1.078 6 HD2 PHE 31 HD2 PHE 31 -10.750 -0.188 -1.855 7 HE1 PHE 31 HE1 PHE 31 -12.668 1.108 2.477 8 HE2 PHE 31 HE2 PHE 31 -9.602 1.476 -0.473 9 HZ PHE 31 HZ PHE 31 -10.515 2.102 1.730 No H/Q in entry = 9 In of MODEL 12 1 H HIS 32 H HIS 32 -15.254 -2.253 -0.105 2 HA HIS 32 HA HIS 32 -16.451 0.057 1.114 3 HB2 HIS 32 HB2 HIS 32 -18.334 -2.206 0.274 4 HB3 HIS 32 HB3 HIS 32 -18.749 -0.817 1.260 5 HD2 HIS 32 HD2 HIS 32 -18.377 -1.813 -2.448 6 HE1 HIS 32 HE1 HIS 32 -19.670 2.211 -2.241 7 HE2 HIS 32 HE2 HIS 32 -19.518 0.148 -3.710 No H/Q in entry = 7 In of MODEL 12 1 HA PRO 33 HA PRO 33 -18.790 -0.673 2.839 2 HB2 PRO 33 HB2 PRO 33 -17.991 -0.368 5.667 3 HB3 PRO 33 HB3 PRO 33 -19.543 -0.855 4.981 4 HG2 PRO 33 HG2 PRO 33 -17.945 -2.623 6.190 5 HG3 PRO 33 HG3 PRO 33 -18.908 -3.065 4.770 6 HD2 PRO 33 HD2 PRO 33 -15.991 -2.432 4.958 7 HD3 PRO 33 HD3 PRO 33 -16.818 -3.685 3.997 No H/Q in entry = 7 In of MODEL 12 1 H SER 34 H SER 34 -16.158 0.310 5.086 2 HA SER 34 HA SER 34 -15.818 2.772 3.568 3 HB2 SER 34 HB2 SER 34 -16.009 4.127 5.649 4 HB3 SER 34 HB3 SER 34 -17.528 3.348 5.209 5 HG SER 34 HG SER 34 -16.019 1.761 6.828 No H/Q in entry = 5 In of MODEL 12 1 H ASP 35 H ASP 35 -14.229 0.419 3.966 2 HA ASP 35 HA ASP 35 -11.772 1.473 4.757 3 HB2 ASP 35 HB2 ASP 35 -11.393 0.246 6.946 4 HB3 ASP 35 HB3 ASP 35 -12.569 1.550 7.031 No H/Q in entry = 4 In of MODEL 12 1 H ILE 36 H ILE 36 -10.023 0.069 4.606 2 HA ILE 36 HA ILE 36 -10.522 -2.769 3.980 3 HB ILE 36 HB ILE 36 -10.226 -1.321 1.825 4 HG12 ILE 36 HG12 ILE 36 -8.809 -3.814 2.609 5 HG13 ILE 36 HG13 ILE 36 -10.139 -3.612 1.485 6 HG21 ILE 36 HG21 ILE 36 -7.376 -1.430 2.821 7 HG22 ILE 36 HG22 ILE 36 -7.873 -0.916 1.210 8 HG23 ILE 36 HG23 ILE 36 -8.335 0.033 2.622 9 HD11 ILE 36 HD11 ILE 36 -7.288 -2.800 0.953 10 HD12 ILE 36 HD12 ILE 36 -8.033 -4.297 0.398 11 HD13 ILE 36 HD13 ILE 36 -8.630 -2.746 -0.192 No H/Q in entry = 11 In of MODEL 12 1 H GLU 37 H GLU 37 -8.562 -4.113 4.468 2 HA GLU 37 HA GLU 37 -6.666 -2.630 6.130 3 HB2 GLU 37 HB2 GLU 37 -8.071 -4.549 7.116 4 HB3 GLU 37 HB3 GLU 37 -7.092 -5.608 6.113 5 HG2 GLU 37 HG2 GLU 37 -6.285 -5.471 8.443 6 HG3 GLU 37 HG3 GLU 37 -5.082 -4.935 7.272 No H/Q in entry = 6 In of MODEL 12 1 H VAL 38 H VAL 38 -4.717 -2.399 5.351 2 HA VAL 38 HA VAL 38 -3.669 -4.356 3.460 3 HB VAL 38 HB VAL 38 -3.877 -2.978 1.731 4 HG11 VAL 38 HG11 VAL 38 -4.471 -0.768 3.674 5 HG12 VAL 38 HG12 VAL 38 -4.623 -0.642 1.920 6 HG13 VAL 38 HG13 VAL 38 -5.628 -1.783 2.812 7 HG21 VAL 38 HG21 VAL 38 -1.919 -1.178 3.166 8 HG22 VAL 38 HG22 VAL 38 -1.510 -2.524 2.106 9 HG23 VAL 38 HG23 VAL 38 -2.315 -1.095 1.445 No H/Q in entry = 9 In of MODEL 12 1 H ASP 39 H ASP 39 -1.520 -4.675 3.553 2 HA ASP 39 HA ASP 39 -0.061 -3.291 5.698 3 HB2 ASP 39 HB2 ASP 39 0.015 -5.115 7.009 4 HB3 ASP 39 HB3 ASP 39 -1.136 -5.869 5.913 No H/Q in entry = 4 In of MODEL 12 1 H LEU 40 H LEU 40 2.198 -3.325 5.507 2 HA LEU 40 HA LEU 40 3.062 -3.681 2.730 3 HB2 LEU 40 HB2 LEU 40 4.516 -2.107 4.846 4 HB3 LEU 40 HB3 LEU 40 4.749 -2.052 3.111 5 HG LEU 40 HG LEU 40 2.357 -1.001 4.612 6 HD11 LEU 40 HD11 LEU 40 4.359 0.369 4.880 7 HD12 LEU 40 HD12 LEU 40 4.563 0.426 3.130 8 HD13 LEU 40 HD13 LEU 40 3.161 1.194 3.879 9 HD21 LEU 40 HD21 LEU 40 2.951 -1.009 1.664 10 HD22 LEU 40 HD22 LEU 40 1.614 -1.819 2.482 11 HD23 LEU 40 HD23 LEU 40 1.679 -0.054 2.434 No H/Q in entry = 11 In of MODEL 12 1 H LEU 41 H LEU 41 4.824 -4.867 2.219 2 HA LEU 41 HA LEU 41 5.800 -6.642 4.350 3 HB2 LEU 41 HB2 LEU 41 5.791 -7.368 1.463 4 HB3 LEU 41 HB3 LEU 41 5.923 -8.406 2.845 5 HG LEU 41 HG LEU 41 3.406 -6.941 2.095 6 HD11 LEU 41 HD11 LEU 41 4.058 -8.558 0.385 7 HD12 LEU 41 HD12 LEU 41 4.210 -9.809 1.619 8 HD13 LEU 41 HD13 LEU 41 2.634 -9.106 1.267 9 HD21 LEU 41 HD21 LEU 41 3.942 -9.165 4.064 10 HD22 LEU 41 HD22 LEU 41 3.570 -7.489 4.468 11 HD23 LEU 41 HD23 LEU 41 2.359 -8.495 3.672 No H/Q in entry = 11 In of MODEL 12 1 H LYS 42 H LYS 42 7.676 -7.901 3.437 2 HA LYS 42 HA LYS 42 9.687 -6.379 2.048 3 HB2 LYS 42 HB2 LYS 42 9.977 -7.016 4.962 4 HB3 LYS 42 HB3 LYS 42 11.387 -6.892 3.918 5 HG2 LYS 42 HG2 LYS 42 10.998 -4.615 3.493 6 HG3 LYS 42 HG3 LYS 42 9.351 -4.688 4.133 7 HD2 LYS 42 HD2 LYS 42 10.260 -5.134 6.380 8 HD3 LYS 42 HD3 LYS 42 11.899 -5.108 5.722 9 HE2 LYS 42 HE2 LYS 42 11.592 -2.754 5.103 10 HE3 LYS 42 HE3 LYS 42 9.965 -2.793 5.786 11 HZ1 LYS 42 HZ1 LYS 42 10.943 -3.321 7.949 12 HZ2 LYS 42 HZ2 LYS 42 12.498 -3.239 7.277 13 HZ3 LYS 42 HZ3 LYS 42 11.532 -1.847 7.354 No H/Q in entry = 13 In of MODEL 12 1 H ASN 43 H ASN 43 9.946 -7.892 0.572 2 HA ASN 43 HA ASN 43 10.349 -9.830 -0.482 3 HB2 ASN 43 HB2 ASN 43 11.863 -10.329 2.049 4 HB3 ASN 43 HB3 ASN 43 11.749 -11.580 0.821 5 HD21 ASN 43 HD21 ASN 43 13.059 -8.488 1.660 6 HD22 ASN 43 HD22 ASN 43 14.150 -8.365 0.328 No H/Q in entry = 6 In of MODEL 12 1 H GLY 44 H GLY 44 8.520 -9.857 2.356 2 HA2 GLY 44 HA2 GLY 44 7.561 -12.578 1.958 3 HA3 GLY 44 HA3 GLY 44 6.437 -11.276 1.558 No H/Q in entry = 3 In of MODEL 12 1 H GLU 45 H GLU 45 8.261 -10.099 4.017 2 HA GLU 45 HA GLU 45 6.544 -11.276 6.069 3 HB2 GLU 45 HB2 GLU 45 8.331 -10.894 7.603 4 HB3 GLU 45 HB3 GLU 45 8.975 -11.616 6.142 5 HG2 GLU 45 HG2 GLU 45 10.533 -10.075 6.515 6 HG3 GLU 45 HG3 GLU 45 9.461 -9.194 5.448 No H/Q in entry = 6 In of MODEL 12 1 H ARG 46 H ARG 46 5.636 -9.966 7.665 2 HA ARG 46 HA ARG 46 4.577 -7.552 6.650 3 HB2 ARG 46 HB2 ARG 46 3.309 -9.138 8.082 4 HB3 ARG 46 HB3 ARG 46 4.347 -8.713 9.427 5 HG2 ARG 46 HG2 ARG 46 3.471 -6.538 9.515 6 HG3 ARG 46 HG3 ARG 46 2.641 -6.746 7.960 7 HD2 ARG 46 HD2 ARG 46 1.861 -7.775 10.630 8 HD3 ARG 46 HD3 ARG 46 0.855 -7.256 9.280 9 HE ARG 46 HE ARG 46 2.103 -9.899 9.561 10 HH11 ARG 46 HH11 ARG 46 -0.246 -7.754 8.104 11 HH12 ARG 46 HH12 ARG 46 -1.148 -9.031 7.354 12 HH21 ARG 46 HH21 ARG 46 0.890 -11.599 8.598 13 HH22 ARG 46 HH22 ARG 46 -0.514 -11.221 7.645 No H/Q in entry = 13 In of MODEL 12 1 H ILE 47 H ILE 47 5.010 -5.491 7.029 2 HA ILE 47 HA ILE 47 7.186 -4.739 8.823 3 HB ILE 47 HB ILE 47 5.561 -3.037 6.914 4 HG12 ILE 47 HG12 ILE 47 8.350 -4.130 6.572 5 HG13 ILE 47 HG13 ILE 47 6.923 -4.800 5.786 6 HG21 ILE 47 HG21 ILE 47 8.121 -2.453 8.398 7 HG22 ILE 47 HG22 ILE 47 7.377 -1.403 7.193 8 HG23 ILE 47 HG23 ILE 47 6.542 -1.734 8.711 9 HD11 ILE 47 HD11 ILE 47 7.979 -2.004 5.415 10 HD12 ILE 47 HD12 ILE 47 8.190 -3.348 4.291 11 HD13 ILE 47 HD13 ILE 47 6.579 -2.703 4.605 No H/Q in entry = 11 In of MODEL 12 1 H GLU 48 H GLU 48 6.877 -3.502 10.628 2 HA GLU 48 HA GLU 48 4.091 -3.125 11.453 3 HB2 GLU 48 HB2 GLU 48 5.289 -2.644 13.742 4 HB3 GLU 48 HB3 GLU 48 4.974 -4.285 13.212 5 HG2 GLU 48 HG2 GLU 48 7.588 -2.968 12.651 6 HG3 GLU 48 HG3 GLU 48 7.251 -3.688 14.218 No H/Q in entry = 6 In of MODEL 12 1 H LYS 49 H LYS 49 7.143 -1.355 11.075 2 HA LYS 49 HA LYS 49 6.382 1.109 12.040 3 HB2 LYS 49 HB2 LYS 49 8.151 0.508 9.674 4 HB3 LYS 49 HB3 LYS 49 8.135 2.011 10.593 5 HG2 LYS 49 HG2 LYS 49 8.523 -0.411 12.189 6 HG3 LYS 49 HG3 LYS 49 9.812 -0.049 11.040 7 HD2 LYS 49 HD2 LYS 49 10.172 2.091 12.019 8 HD3 LYS 49 HD3 LYS 49 8.689 1.976 12.963 9 HE2 LYS 49 HE2 LYS 49 9.692 0.105 14.242 10 HE3 LYS 49 HE3 LYS 49 11.197 0.326 13.345 11 HZ1 LYS 49 HZ1 LYS 49 11.338 2.577 14.215 12 HZ2 LYS 49 HZ2 LYS 49 9.900 2.350 15.090 13 HZ3 LYS 49 HZ3 LYS 49 11.279 1.442 15.477 No H/Q in entry = 13 In of MODEL 12 1 H VAL 50 H VAL 50 4.692 -0.429 9.767 2 HA VAL 50 HA VAL 50 4.094 1.677 7.942 3 HB VAL 50 HB VAL 50 2.414 -0.721 8.665 4 HG11 VAL 50 HG11 VAL 50 1.192 1.075 7.505 5 HG12 VAL 50 HG12 VAL 50 2.386 1.027 6.202 6 HG13 VAL 50 HG13 VAL 50 1.356 -0.374 6.502 7 HG21 VAL 50 HG21 VAL 50 4.652 -1.365 7.943 8 HG22 VAL 50 HG22 VAL 50 3.447 -1.793 6.736 9 HG23 VAL 50 HG23 VAL 50 4.473 -0.386 6.488 No H/Q in entry = 9 In of MODEL 12 1 H GLU 51 H GLU 51 2.665 3.282 8.092 2 HA GLU 51 HA GLU 51 0.654 3.166 10.215 3 HB2 GLU 51 HB2 GLU 51 2.328 5.604 9.577 4 HB3 GLU 51 HB3 GLU 51 1.005 5.536 10.734 5 HG2 GLU 51 HG2 GLU 51 2.299 3.835 12.007 6 HG3 GLU 51 HG3 GLU 51 3.650 4.122 10.910 No H/Q in entry = 6 In of MODEL 12 1 H HIS 52 H HIS 52 -1.238 4.126 9.748 2 HA HIS 52 HA HIS 52 -1.566 5.169 7.016 3 HB2 HIS 52 HB2 HIS 52 -3.949 4.581 7.145 4 HB3 HIS 52 HB3 HIS 52 -2.921 3.166 7.325 5 HD2 HIS 52 HD2 HIS 52 -2.755 2.296 10.142 6 HE1 HIS 52 HE1 HIS 52 -6.541 4.007 10.947 7 HE2 HIS 52 HE2 HIS 52 -4.885 2.218 11.627 No H/Q in entry = 7 In of MODEL 12 1 H SER 53 H SER 53 -2.325 7.176 6.750 2 HA SER 53 HA SER 53 -2.708 8.844 9.069 3 HB2 SER 53 HB2 SER 53 -1.661 9.650 6.920 4 HB3 SER 53 HB3 SER 53 -3.251 9.544 6.172 5 HG SER 53 HG SER 53 -2.556 11.656 7.086 No H/Q in entry = 5 In of MODEL 12 1 H ASP 54 H ASP 54 -4.749 10.319 9.059 2 HA ASP 54 HA ASP 54 -6.946 8.777 9.699 3 HB2 ASP 54 HB2 ASP 54 -6.688 11.109 10.429 4 HB3 ASP 54 HB3 ASP 54 -6.958 11.660 8.777 No H/Q in entry = 4 In of MODEL 12 1 H LEU 55 H LEU 55 -8.581 7.930 8.671 2 HA LEU 55 HA LEU 55 -8.392 6.809 6.283 3 HB2 LEU 55 HB2 LEU 55 -10.174 6.429 7.985 4 HB3 LEU 55 HB3 LEU 55 -11.037 7.798 7.318 5 HG LEU 55 HG LEU 55 -11.073 6.570 5.106 6 HD11 LEU 55 HD11 LEU 55 -9.259 4.986 5.614 7 HD12 LEU 55 HD12 LEU 55 -10.293 4.213 6.818 8 HD13 LEU 55 HD13 LEU 55 -10.746 4.179 5.115 9 HD21 LEU 55 HD21 LEU 55 -13.013 6.735 6.598 10 HD22 LEU 55 HD22 LEU 55 -12.973 5.205 5.725 11 HD23 LEU 55 HD23 LEU 55 -12.495 5.262 7.420 No H/Q in entry = 11 In of MODEL 12 1 H SER 56 H SER 56 -11.174 8.846 6.006 2 HA SER 56 HA SER 56 -10.357 10.971 4.457 3 HB2 SER 56 HB2 SER 56 -10.732 8.455 2.850 4 HB3 SER 56 HB3 SER 56 -11.199 10.007 2.164 5 HG SER 56 HG SER 56 -8.640 9.148 3.012 No H/Q in entry = 5 In of MODEL 12 1 H PHE 57 H PHE 57 -12.177 11.884 3.144 2 HA PHE 57 HA PHE 57 -14.726 10.516 3.334 3 HB2 PHE 57 HB2 PHE 57 -14.721 11.898 5.386 4 HB3 PHE 57 HB3 PHE 57 -14.411 13.335 4.414 5 HD1 PHE 57 HD1 PHE 57 -16.879 10.654 5.053 6 HD2 PHE 57 HD2 PHE 57 -16.174 14.509 3.395 7 HE1 PHE 57 HE1 PHE 57 -19.301 10.967 4.761 8 HE2 PHE 57 HE2 PHE 57 -18.596 14.828 3.101 9 HZ PHE 57 HZ PHE 57 -20.164 13.056 3.785 No H/Q in entry = 9 In of MODEL 12 1 H SER 58 H SER 58 -15.232 10.439 1.260 2 HA SER 58 HA SER 58 -15.000 12.897 -0.326 3 HB2 SER 58 HB2 SER 58 -14.625 11.209 -2.277 4 HB3 SER 58 HB3 SER 58 -13.275 11.599 -1.212 5 HG SER 58 HG SER 58 -13.434 9.359 -1.488 No H/Q in entry = 5 In of MODEL 12 1 H LYS 59 H LYS 59 -16.788 13.534 -1.260 2 HA LYS 59 HA LYS 59 -19.239 12.158 -0.817 3 HB2 LYS 59 HB2 LYS 59 -18.996 14.625 -0.855 4 HB3 LYS 59 HB3 LYS 59 -18.696 14.545 -2.586 5 HG2 LYS 59 HG2 LYS 59 -20.933 13.572 -2.903 6 HG3 LYS 59 HG3 LYS 59 -21.230 13.753 -1.171 7 HD2 LYS 59 HD2 LYS 59 -20.781 16.196 -1.425 8 HD3 LYS 59 HD3 LYS 59 -20.698 15.951 -3.169 9 HE2 LYS 59 HE2 LYS 59 -22.890 16.766 -2.527 10 HE3 LYS 59 HE3 LYS 59 -23.012 15.122 -3.150 11 HZ1 LYS 59 HZ1 LYS 59 -22.885 15.790 -0.258 12 HZ2 LYS 59 HZ2 LYS 59 -24.331 15.545 -1.113 13 HZ3 LYS 59 HZ3 LYS 59 -23.220 14.274 -0.944 No H/Q in entry = 13 In of MODEL 12 1 H ASP 60 H ASP 60 -17.449 12.911 -3.822 2 HA ASP 60 HA ASP 60 -19.322 11.207 -5.303 3 HB2 ASP 60 HB2 ASP 60 -17.238 13.167 -6.295 4 HB3 ASP 60 HB3 ASP 60 -18.290 12.210 -7.330 No H/Q in entry = 4 In of MODEL 12 1 H TRP 61 H TRP 61 -16.115 11.412 -4.153 2 HA TRP 61 HA TRP 61 -15.102 9.426 -6.007 3 HB2 TRP 61 HB2 TRP 61 -13.658 10.810 -3.741 4 HB3 TRP 61 HB3 TRP 61 -12.926 9.899 -5.057 5 HD1 TRP 61 HD1 TRP 61 -12.694 11.121 -7.418 6 HE1 TRP 61 HE1 TRP 61 -12.848 13.602 -8.112 7 HE3 TRP 61 HE3 TRP 61 -14.904 12.996 -3.208 8 HZ2 TRP 61 HZ2 TRP 61 -13.781 16.020 -7.010 9 HZ3 TRP 61 HZ3 TRP 61 -15.396 15.398 -3.093 10 HH2 TRP 61 HH2 TRP 61 -14.838 16.898 -4.981 No H/Q in entry = 10 In of MODEL 12 1 H SER 62 H SER 62 -13.654 7.697 -4.959 2 HA SER 62 HA SER 62 -15.183 6.308 -2.944 3 HB2 SER 62 HB2 SER 62 -12.639 5.621 -4.444 4 HB3 SER 62 HB3 SER 62 -13.350 4.558 -3.220 5 HG SER 62 HG SER 62 -15.008 4.126 -4.520 No H/Q in entry = 5 In of MODEL 12 1 H PHE 63 H PHE 63 -14.611 5.965 -0.860 2 HA PHE 63 HA PHE 63 -12.940 7.807 0.457 3 HB2 PHE 63 HB2 PHE 63 -13.249 5.837 2.303 4 HB3 PHE 63 HB3 PHE 63 -14.465 7.065 1.969 5 HD1 PHE 63 HD1 PHE 63 -16.553 6.497 1.064 6 HD2 PHE 63 HD2 PHE 63 -13.451 3.589 1.201 7 HE1 PHE 63 HE1 PHE 63 -18.164 4.753 0.424 8 HE2 PHE 63 HE2 PHE 63 -15.056 1.840 0.564 9 HZ PHE 63 HZ PHE 63 -17.416 2.422 0.173 No H/Q in entry = 9 In of MODEL 12 1 H TYR 64 H TYR 64 -10.809 7.854 0.384 2 HA TYR 64 HA TYR 64 -9.311 5.466 -0.320 3 HB2 TYR 64 HB2 TYR 64 -8.038 8.116 0.292 4 HB3 TYR 64 HB3 TYR 64 -7.510 6.878 -0.832 5 HD1 TYR 64 HD1 TYR 64 -8.428 6.773 -3.091 6 HD2 TYR 64 HD2 TYR 64 -9.659 9.788 -0.354 7 HE1 TYR 64 HE1 TYR 64 -9.349 8.089 -4.958 8 HE2 TYR 64 HE2 TYR 64 -10.588 11.106 -2.211 9 HH TYR 64 HH TYR 64 -10.998 9.831 -5.346 No H/Q in entry = 9 In of MODEL 12 1 H LEU 65 H LEU 65 -7.710 4.518 1.011 2 HA LEU 65 HA LEU 65 -6.969 6.047 3.374 3 HB2 LEU 65 HB2 LEU 65 -6.841 4.111 4.794 4 HB3 LEU 65 HB3 LEU 65 -8.440 4.274 4.175 5 HG LEU 65 HG LEU 65 -7.910 2.501 2.523 6 HD11 LEU 65 HD11 LEU 65 -5.467 2.576 2.708 7 HD12 LEU 65 HD12 LEU 65 -5.625 1.857 4.311 8 HD13 LEU 65 HD13 LEU 65 -6.185 0.974 2.892 9 HD21 LEU 65 HD21 LEU 65 -9.262 2.220 4.494 10 HD22 LEU 65 HD22 LEU 65 -8.313 0.765 4.194 11 HD23 LEU 65 HD23 LEU 65 -7.831 1.907 5.447 No H/Q in entry = 11 In of MODEL 12 1 H LEU 66 H LEU 66 -4.901 5.973 3.907 2 HA LEU 66 HA LEU 66 -3.213 4.921 1.762 3 HB2 LEU 66 HB2 LEU 66 -3.572 7.495 2.321 4 HB3 LEU 66 HB3 LEU 66 -2.338 7.168 3.486 5 HG LEU 66 HG LEU 66 -2.014 6.746 0.539 6 HD11 LEU 66 HD11 LEU 66 -1.043 8.964 2.343 7 HD12 LEU 66 HD12 LEU 66 -0.558 8.743 0.663 8 HD13 LEU 66 HD13 LEU 66 -2.238 9.109 1.055 9 HD21 LEU 66 HD21 LEU 66 -0.596 5.272 1.863 10 HD22 LEU 66 HD22 LEU 66 0.360 6.509 1.040 11 HD23 LEU 66 HD23 LEU 66 0.011 6.661 2.764 No H/Q in entry = 11 In of MODEL 12 1 H TYR 67 H TYR 67 -1.726 3.458 2.312 2 HA TYR 67 HA TYR 67 -0.830 3.368 5.117 3 HB2 TYR 67 HB2 TYR 67 -1.491 1.180 3.216 4 HB3 TYR 67 HB3 TYR 67 -0.171 0.916 4.350 5 HD1 TYR 67 HD1 TYR 67 -0.600 0.875 6.773 6 HD2 TYR 67 HD2 TYR 67 -3.790 1.218 3.976 7 HE1 TYR 67 HE1 TYR 67 -2.201 0.220 8.520 8 HE2 TYR 67 HE2 TYR 67 -5.383 0.575 5.697 9 HH TYR 67 HH TYR 67 -5.171 -0.868 7.985 No H/Q in entry = 9 In of MODEL 12 1 H TYR 68 H TYR 68 1.120 4.087 5.402 2 HA TYR 68 HA TYR 68 3.131 3.597 3.321 3 HB2 TYR 68 HB2 TYR 68 3.948 5.911 3.497 4 HB3 TYR 68 HB3 TYR 68 2.266 5.879 2.967 5 HD1 TYR 68 HD1 TYR 68 4.531 6.714 5.747 6 HD2 TYR 68 HD2 TYR 68 0.511 6.800 4.351 7 HE1 TYR 68 HE1 TYR 68 3.945 8.286 7.546 8 HE2 TYR 68 HE2 TYR 68 -0.080 8.378 6.146 9 HH TYR 68 HH TYR 68 2.229 9.984 8.029 No H/Q in entry = 9 In of MODEL 12 1 H THR 69 H THR 69 5.341 4.018 4.061 2 HA THR 69 HA THR 69 5.769 4.171 6.924 3 HB THR 69 HB THR 69 5.385 1.744 6.527 4 HG1 THR 69 HG1 THR 69 6.787 2.367 8.203 5 HG21 THR 69 HG21 THR 69 7.778 2.023 4.712 6 HG22 THR 69 HG22 THR 69 7.212 0.478 5.349 7 HG23 THR 69 HG23 THR 69 6.170 1.434 4.290 No H/Q in entry = 7 In of MODEL 12 1 H GLU 70 H GLU 70 7.808 4.906 7.428 2 HA GLU 70 HA GLU 70 9.431 5.949 5.286 3 HB2 GLU 70 HB2 GLU 70 9.156 7.206 7.406 4 HB3 GLU 70 HB3 GLU 70 9.866 5.870 8.291 5 HG2 GLU 70 HG2 GLU 70 11.522 7.036 6.145 6 HG3 GLU 70 HG3 GLU 70 11.230 8.042 7.563 No H/Q in entry = 6 In of MODEL 12 1 H PHE 71 H PHE 71 11.251 5.052 4.475 2 HA PHE 71 HA PHE 71 12.387 2.729 5.752 3 HB2 PHE 71 HB2 PHE 71 12.134 1.240 3.840 4 HB3 PHE 71 HB3 PHE 71 10.555 1.761 4.403 5 HD1 PHE 71 HD1 PHE 71 10.930 4.575 2.978 6 HD2 PHE 71 HD2 PHE 71 11.209 0.523 1.734 7 HE1 PHE 71 HE1 PHE 71 10.349 5.246 0.675 8 HE2 PHE 71 HE2 PHE 71 10.623 1.174 -0.564 9 HZ PHE 71 HZ PHE 71 10.209 3.547 -1.108 No H/Q in entry = 9 In of MODEL 12 1 H THR 72 H THR 72 14.427 2.106 4.798 2 HA THR 72 HA THR 72 15.577 4.162 3.043 3 HB THR 72 HB THR 72 17.051 2.445 5.054 4 HG1 THR 72 HG1 THR 72 15.539 4.470 5.560 5 HG21 THR 72 HG21 THR 72 18.414 3.134 3.112 6 HG22 THR 72 HG22 THR 72 17.989 4.817 3.426 7 HG23 THR 72 HG23 THR 72 18.947 3.913 4.601 No H/Q in entry = 7 In of MODEL 12 1 HA PRO 73 HA PRO 73 15.133 0.313 0.487 2 HB2 PRO 73 HB2 PRO 73 15.775 1.874 -1.791 3 HB3 PRO 73 HB3 PRO 73 14.158 1.368 -1.282 4 HG2 PRO 73 HG2 PRO 73 15.562 3.953 -0.888 5 HG3 PRO 73 HG3 PRO 73 13.827 3.641 -1.079 6 HD2 PRO 73 HD2 PRO 73 14.897 4.266 1.307 7 HD3 PRO 73 HD3 PRO 73 13.549 3.108 1.163 No H/Q in entry = 7 In of MODEL 12 1 H THR 74 H THR 74 16.598 -0.939 -0.516 2 HA THR 74 HA THR 74 19.292 0.062 -0.975 3 HB THR 74 HB THR 74 20.380 -1.777 0.128 4 HG1 THR 74 HG1 THR 74 17.737 -2.768 0.420 5 HG21 THR 74 HG21 THR 74 18.238 -0.673 1.950 6 HG22 THR 74 HG22 THR 74 19.703 -1.492 2.490 7 HG23 THR 74 HG23 THR 74 19.819 0.050 1.640 No H/Q in entry = 7 In of MODEL 12 1 H GLU 75 H GLU 75 20.533 -1.717 -2.233 2 HA GLU 75 HA GLU 75 18.993 -2.452 -4.461 3 HB2 GLU 75 HB2 GLU 75 21.546 -2.005 -4.174 4 HB3 GLU 75 HB3 GLU 75 21.650 -3.689 -3.753 5 HG2 GLU 75 HG2 GLU 75 21.417 -4.341 -5.847 6 HG3 GLU 75 HG3 GLU 75 20.287 -3.062 -6.284 No H/Q in entry = 6 In of MODEL 12 1 H LYS 76 H LYS 76 19.945 -4.169 -1.548 2 HA LYS 76 HA LYS 76 19.400 -6.729 -2.698 3 HB2 LYS 76 HB2 LYS 76 20.452 -5.895 0.001 4 HB3 LYS 76 HB3 LYS 76 20.266 -7.566 -0.511 5 HG2 LYS 76 HG2 LYS 76 22.309 -7.481 -1.395 6 HG3 LYS 76 HG3 LYS 76 21.735 -6.260 -2.528 7 HD2 LYS 76 HD2 LYS 76 22.265 -4.507 -0.885 8 HD3 LYS 76 HD3 LYS 76 22.890 -5.745 0.206 9 HE2 LYS 76 HE2 LYS 76 24.637 -6.310 -1.318 10 HE3 LYS 76 HE3 LYS 76 23.927 -5.318 -2.588 11 HZ1 LYS 76 HZ1 LYS 76 25.024 -4.267 -0.033 12 HZ2 LYS 76 HZ2 LYS 76 25.843 -4.266 -1.517 13 HZ3 LYS 76 HZ3 LYS 76 24.432 -3.349 -1.327 No H/Q in entry = 13 In of MODEL 12 1 H ASP 77 H ASP 77 17.818 -4.502 -0.501 2 HA ASP 77 HA ASP 77 16.117 -6.660 0.498 3 HB2 ASP 77 HB2 ASP 77 15.248 -5.106 2.105 4 HB3 ASP 77 HB3 ASP 77 16.989 -4.878 2.062 No H/Q in entry = 4 In of MODEL 12 1 H GLU 78 H GLU 78 13.630 -5.981 0.667 2 HA GLU 78 HA GLU 78 12.716 -4.706 -1.751 3 HB2 GLU 78 HB2 GLU 78 13.355 -6.852 -2.661 4 HB3 GLU 78 HB3 GLU 78 12.591 -7.695 -1.331 5 HG2 GLU 78 HG2 GLU 78 10.493 -7.538 -2.209 6 HG3 GLU 78 HG3 GLU 78 10.832 -6.075 -3.138 No H/Q in entry = 6 In of MODEL 12 1 H TYR 79 H TYR 79 10.554 -4.181 -1.596 2 HA TYR 79 HA TYR 79 9.169 -4.953 0.857 3 HB2 TYR 79 HB2 TYR 79 8.873 -2.257 -0.474 4 HB3 TYR 79 HB3 TYR 79 8.315 -2.751 1.121 5 HD1 TYR 79 HD1 TYR 79 9.636 -2.434 3.015 6 HD2 TYR 79 HD2 TYR 79 11.394 -2.035 -0.837 7 HE1 TYR 79 HE1 TYR 79 11.666 -1.505 4.041 8 HE2 TYR 79 HE2 TYR 79 13.431 -1.117 0.184 9 HH TYR 79 HH TYR 79 14.555 -1.311 2.562 No H/Q in entry = 9 In of MODEL 12 1 H ALA 80 H ALA 80 6.847 -4.950 0.738 2 HA ALA 80 HA ALA 80 5.727 -4.932 -1.976 3 HB1 ALA 80 HB1 ALA 80 6.504 -7.234 -1.553 4 HB2 ALA 80 HB2 ALA 80 4.760 -7.125 -1.794 5 HB3 ALA 80 HB3 ALA 80 5.413 -7.317 -0.166 No H/Q in entry = 5 In of MODEL 12 1 H CYS 81 H CYS 81 3.323 -5.060 -1.982 2 HA CYS 81 HA CYS 81 2.188 -3.954 0.508 3 HB2 CYS 81 HB2 CYS 81 1.818 -3.288 -2.365 4 HB3 CYS 81 HB3 CYS 81 0.377 -3.247 -1.357 No H/Q in entry = 4 In of MODEL 12 1 H ARG 82 H ARG 82 0.542 -5.063 1.439 2 HA ARG 82 HA ARG 82 -0.758 -7.242 -0.098 3 HB2 ARG 82 HB2 ARG 82 0.736 -7.866 1.918 4 HB3 ARG 82 HB3 ARG 82 -0.519 -7.120 2.895 5 HG2 ARG 82 HG2 ARG 82 -2.160 -8.699 2.029 6 HG3 ARG 82 HG3 ARG 82 -0.904 -9.468 1.055 7 HD2 ARG 82 HD2 ARG 82 -0.638 -9.199 4.036 8 HD3 ARG 82 HD3 ARG 82 -1.493 -10.553 3.314 9 HE ARG 82 HE ARG 82 1.038 -10.323 2.117 10 HH11 ARG 82 HH11 ARG 82 -0.417 -11.148 5.176 11 HH12 ARG 82 HH12 ARG 82 0.802 -12.312 5.604 12 HH21 ARG 82 HH21 ARG 82 2.665 -11.863 2.654 13 HH22 ARG 82 HH22 ARG 82 2.568 -12.709 4.170 No H/Q in entry = 13 In of MODEL 12 1 H VAL 83 H VAL 83 -3.002 -7.224 -0.130 2 HA VAL 83 HA VAL 83 -4.340 -5.581 1.913 3 HB VAL 83 HB VAL 83 -5.801 -4.502 0.502 4 HG11 VAL 83 HG11 VAL 83 -3.234 -4.714 -1.015 5 HG12 VAL 83 HG12 VAL 83 -4.478 -3.495 -1.298 6 HG13 VAL 83 HG13 VAL 83 -3.639 -3.563 0.256 7 HG21 VAL 83 HG21 VAL 83 -5.086 -6.427 -1.699 8 HG22 VAL 83 HG22 VAL 83 -6.586 -6.407 -0.773 9 HG23 VAL 83 HG23 VAL 83 -6.196 -5.066 -1.849 No H/Q in entry = 9 In of MODEL 12 1 H ASN 84 H ASN 84 -6.204 -6.344 2.679 2 HA ASN 84 HA ASN 84 -7.102 -8.951 1.685 3 HB2 ASN 84 HB2 ASN 84 -7.366 -7.903 4.520 4 HB3 ASN 84 HB3 ASN 84 -7.736 -9.528 3.962 5 HD21 ASN 84 HD21 ASN 84 -5.111 -7.233 4.416 6 HD22 ASN 84 HD22 ASN 84 -3.867 -8.417 4.664 No H/Q in entry = 6 In of MODEL 12 1 H HIS 85 H HIS 85 -9.129 -8.939 0.817 2 HA HIS 85 HA HIS 85 -11.195 -7.463 2.216 3 HB2 HIS 85 HB2 HIS 85 -10.163 -6.129 0.204 4 HB3 HIS 85 HB3 HIS 85 -11.069 -7.273 -0.781 5 HD2 HIS 85 HD2 HIS 85 -11.849 -4.567 2.000 6 HE1 HIS 85 HE1 HIS 85 -15.202 -5.117 -0.529 7 HE2 HIS 85 HE2 HIS 85 -14.294 -3.867 1.483 No H/Q in entry = 7 In of MODEL 12 1 H VAL 86 H VAL 86 -13.371 -8.214 1.378 2 HA VAL 86 HA VAL 86 -13.386 -11.045 1.326 3 HB VAL 86 HB VAL 86 -15.807 -10.884 1.161 4 HG11 VAL 86 HG11 VAL 86 -14.770 -10.524 3.336 5 HG12 VAL 86 HG12 VAL 86 -14.670 -8.794 3.010 6 HG13 VAL 86 HG13 VAL 86 -16.244 -9.572 3.171 7 HG21 VAL 86 HG21 VAL 86 -15.932 -9.064 -0.484 8 HG22 VAL 86 HG22 VAL 86 -16.956 -8.757 0.919 9 HG23 VAL 86 HG23 VAL 86 -15.413 -7.921 0.753 No H/Q in entry = 9 In of MODEL 12 1 H THR 87 H THR 87 -13.312 -8.655 -1.182 2 HA THR 87 HA THR 87 -14.605 -10.183 -3.190 3 HB THR 87 HB THR 87 -13.629 -8.498 -4.728 4 HG1 THR 87 HG1 THR 87 -12.684 -6.822 -2.845 5 HG21 THR 87 HG21 THR 87 -14.943 -7.517 -2.213 6 HG22 THR 87 HG22 THR 87 -14.669 -6.487 -3.617 7 HG23 THR 87 HG23 THR 87 -15.714 -7.908 -3.752 No H/Q in entry = 7 In of MODEL 12 1 H LEU 88 H LEU 88 -11.258 -9.637 -2.292 2 HA LEU 88 HA LEU 88 -10.183 -11.057 -4.526 3 HB2 LEU 88 HB2 LEU 88 -8.919 -10.167 -1.922 4 HB3 LEU 88 HB3 LEU 88 -8.028 -10.889 -3.247 5 HG LEU 88 HG LEU 88 -9.443 -8.224 -3.246 6 HD11 LEU 88 HD11 LEU 88 -7.252 -8.253 -2.136 7 HD12 LEU 88 HD12 LEU 88 -6.525 -8.946 -3.597 8 HD13 LEU 88 HD13 LEU 88 -7.214 -7.315 -3.642 9 HD21 LEU 88 HD21 LEU 88 -8.096 -9.680 -5.519 10 HD22 LEU 88 HD22 LEU 88 -9.810 -9.286 -5.386 11 HD23 LEU 88 HD23 LEU 88 -8.620 -7.994 -5.559 No H/Q in entry = 11 In of MODEL 12 1 H SER 89 H SER 89 -10.110 -13.183 -4.727 2 HA SER 89 HA SER 89 -11.105 -14.998 -2.867 3 HB2 SER 89 HB2 SER 89 -9.937 -16.723 -4.319 4 HB3 SER 89 HB3 SER 89 -11.024 -15.628 -5.171 5 HG SER 89 HG SER 89 -8.376 -16.020 -5.518 No H/Q in entry = 5 In of MODEL 12 1 H GLN 90 H GLN 90 -7.891 -13.765 -3.386 2 HA GLN 90 HA GLN 90 -7.055 -14.872 -0.821 3 HB2 GLN 90 HB2 GLN 90 -5.170 -14.585 -3.164 4 HB3 GLN 90 HB3 GLN 90 -4.888 -15.439 -1.656 5 HG2 GLN 90 HG2 GLN 90 -6.890 -16.304 -3.721 6 HG3 GLN 90 HG3 GLN 90 -5.221 -16.872 -3.678 7 HE21 GLN 90 HE21 GLN 90 -7.688 -18.373 -3.436 8 HE22 GLN 90 HE22 GLN 90 -7.608 -19.190 -1.910 No H/Q in entry = 8 In of MODEL 12 1 HA PRO 91 HA PRO 91 -5.989 -10.470 -0.159 2 HB2 PRO 91 HB2 PRO 91 -3.687 -11.920 1.137 3 HB3 PRO 91 HB3 PRO 91 -4.546 -10.458 1.675 4 HG2 PRO 91 HG2 PRO 91 -5.169 -12.751 2.786 5 HG3 PRO 91 HG3 PRO 91 -6.470 -11.648 2.257 6 HD2 PRO 91 HD2 PRO 91 -5.464 -14.188 0.970 7 HD3 PRO 91 HD3 PRO 91 -7.144 -13.570 1.071 No H/Q in entry = 7 In of MODEL 12 1 H LYS 92 H LYS 92 -4.392 -9.054 -0.992 2 HA LYS 92 HA LYS 92 -3.157 -10.351 -3.318 3 HB2 LYS 92 HB2 LYS 92 -5.096 -8.850 -3.775 4 HB3 LYS 92 HB3 LYS 92 -4.148 -7.516 -3.131 5 HG2 LYS 92 HG2 LYS 92 -3.975 -7.493 -5.516 6 HG3 LYS 92 HG3 LYS 92 -2.420 -7.990 -4.826 7 HD2 LYS 92 HD2 LYS 92 -2.997 -9.382 -6.734 8 HD3 LYS 92 HD3 LYS 92 -2.968 -10.317 -5.239 9 HE2 LYS 92 HE2 LYS 92 -5.375 -10.286 -5.120 10 HE3 LYS 92 HE3 LYS 92 -5.466 -9.229 -6.529 11 HZ1 LYS 92 HZ1 LYS 92 -4.081 -11.805 -6.789 12 HZ2 LYS 92 HZ2 LYS 92 -5.777 -11.803 -6.765 13 HZ3 LYS 92 HZ3 LYS 92 -4.940 -10.920 -7.952 No H/Q in entry = 13 In of MODEL 12 1 H ILE 93 H ILE 93 -1.047 -10.234 -3.471 2 HA ILE 93 HA ILE 93 0.339 -8.092 -2.010 3 HB ILE 93 HB ILE 93 1.384 -10.796 -2.832 4 HG12 ILE 93 HG12 ILE 93 1.865 -10.877 -0.289 5 HG13 ILE 93 HG13 ILE 93 0.708 -9.561 -0.175 6 HG21 ILE 93 HG21 ILE 93 3.085 -9.078 -3.160 7 HG22 ILE 93 HG22 ILE 93 2.870 -8.554 -1.488 8 HG23 ILE 93 HG23 ILE 93 3.502 -10.164 -1.831 9 HD11 ILE 93 HD11 ILE 93 0.143 -12.281 -1.320 10 HD12 ILE 93 HD12 ILE 93 -0.289 -11.735 0.300 11 HD13 ILE 93 HD13 ILE 93 -1.017 -10.971 -1.111 No H/Q in entry = 11 In of MODEL 12 1 H VAL 94 H VAL 94 1.289 -6.625 -3.159 2 HA VAL 94 HA VAL 94 2.240 -7.289 -5.852 3 HB VAL 94 HB VAL 94 0.947 -4.693 -4.976 4 HG11 VAL 94 HG11 VAL 94 2.273 -5.395 -7.592 5 HG12 VAL 94 HG12 VAL 94 1.337 -3.932 -7.284 6 HG13 VAL 94 HG13 VAL 94 2.845 -4.216 -6.413 7 HG21 VAL 94 HG21 VAL 94 -0.626 -6.495 -5.514 8 HG22 VAL 94 HG22 VAL 94 -0.699 -5.190 -6.699 9 HG23 VAL 94 HG23 VAL 94 0.142 -6.689 -7.089 No H/Q in entry = 9 In of MODEL 12 1 H LYS 95 H LYS 95 4.302 -6.883 -6.130 2 HA LYS 95 HA LYS 95 5.824 -5.920 -3.865 3 HB2 LYS 95 HB2 LYS 95 6.608 -7.032 -6.534 4 HB3 LYS 95 HB3 LYS 95 7.781 -6.327 -5.433 5 HG2 LYS 95 HG2 LYS 95 7.095 -7.980 -3.719 6 HG3 LYS 95 HG3 LYS 95 6.069 -8.747 -4.938 7 HD2 LYS 95 HD2 LYS 95 7.872 -9.427 -6.220 8 HD3 LYS 95 HD3 LYS 95 8.953 -8.223 -5.520 9 HE2 LYS 95 HE2 LYS 95 9.580 -10.399 -4.725 10 HE3 LYS 95 HE3 LYS 95 8.903 -9.473 -3.388 11 HZ1 LYS 95 HZ1 LYS 95 7.339 -11.433 -4.981 12 HZ2 LYS 95 HZ2 LYS 95 8.149 -11.827 -3.542 13 HZ3 LYS 95 HZ3 LYS 95 6.890 -10.695 -3.524 No H/Q in entry = 13 In of MODEL 12 1 H TRP 96 H TRP 96 7.095 -4.100 -3.828 2 HA TRP 96 HA TRP 96 6.112 -1.876 -5.265 3 HB2 TRP 96 HB2 TRP 96 7.008 -1.575 -3.033 4 HB3 TRP 96 HB3 TRP 96 8.593 -2.182 -3.524 5 HD1 TRP 96 HD1 TRP 96 6.255 0.726 -4.643 6 HE1 TRP 96 HE1 TRP 96 7.725 2.796 -5.026 7 HE3 TRP 96 HE3 TRP 96 10.813 -1.311 -3.560 8 HZ2 TRP 96 HZ2 TRP 96 10.460 3.483 -4.878 9 HZ3 TRP 96 HZ3 TRP 96 12.811 0.110 -3.698 10 HH2 TRP 96 HH2 TRP 96 12.632 2.480 -4.351 No H/Q in entry = 10 In of MODEL 12 1 H ASP 97 H ASP 97 6.368 -1.771 -7.349 2 HA ASP 97 HA ASP 97 8.933 -2.519 -8.570 3 HB2 ASP 97 HB2 ASP 97 6.340 -1.821 -9.988 4 HB3 ASP 97 HB3 ASP 97 7.834 -2.355 -10.753 No H/Q in entry = 4 In of MODEL 12 1 H ARG 98 H ARG 98 10.354 -1.039 -8.852 2 HA ARG 98 HA ARG 98 9.620 1.764 -8.790 3 HB2 ARG 98 HB2 ARG 98 12.008 2.199 -8.670 4 HB3 ARG 98 HB3 ARG 98 11.584 0.957 -7.516 5 HG2 ARG 98 HG2 ARG 98 13.267 -0.228 -8.321 6 HG3 ARG 98 HG3 ARG 98 12.305 -0.462 -9.780 7 HD2 ARG 98 HD2 ARG 98 14.442 0.340 -10.461 8 HD3 ARG 98 HD3 ARG 98 13.300 1.668 -10.662 9 HE ARG 98 HE ARG 98 15.027 1.490 -8.272 10 HH11 ARG 98 HH11 ARG 98 13.824 3.259 -11.063 11 HH12 ARG 98 HH12 ARG 98 14.718 4.702 -10.672 12 HH21 ARG 98 HH21 ARG 98 16.209 3.375 -7.792 13 HH22 ARG 98 HH22 ARG 98 16.089 4.763 -8.829 No H/Q in entry = 13 In of MODEL 12 1 H ASP 99 H ASP 99 10.963 -0.615 -10.965 2 HA ASP 99 HA ASP 99 10.000 0.804 -13.295 3 HB2 ASP 99 HB2 ASP 99 12.922 0.351 -12.775 4 HB3 ASP 99 HB3 ASP 99 12.296 0.515 -14.410 No H/Q in entry = 4 In of MODEL 12 1 H MET 100 H MET 100 10.413 -1.883 -11.603 2 HA MET 100 HA MET 100 11.477 -3.863 -13.174 3 HB2 MET 100 HB2 MET 100 9.024 -4.270 -11.461 4 HB3 MET 100 HB3 MET 100 10.260 -5.452 -11.867 5 HG2 MET 100 HG2 MET 100 10.558 -3.064 -10.066 6 HG3 MET 100 HG3 MET 100 10.529 -4.760 -9.595 7 HE1 MET 100 HE1 MET 100 12.761 -2.865 -8.544 8 HE2 MET 100 HE2 MET 100 12.755 -4.601 -8.217 9 HE3 MET 100 HE3 MET 100 14.219 -3.821 -8.816 No H/Q in entry = 9 In of MODEL 13 1 HA ILE 2 HA ILE 2 -22.015 -9.893 -2.940 2 HB ILE 2 HB ILE 2 -20.314 -9.549 -4.844 3 HG12 ILE 2 HG12 ILE 2 -22.721 -8.231 -6.142 4 HG13 ILE 2 HG13 ILE 2 -21.243 -7.386 -5.680 5 HG21 ILE 2 HG21 ILE 2 -21.766 -11.495 -4.620 6 HG22 ILE 2 HG22 ILE 2 -23.054 -10.640 -5.468 7 HG23 ILE 2 HG23 ILE 2 -21.561 -11.044 -6.313 8 HD11 ILE 2 HD11 ILE 2 -21.446 -9.593 -7.714 9 HD12 ILE 2 HD12 ILE 2 -21.291 -7.869 -8.056 10 HD13 ILE 2 HD13 ILE 2 -19.975 -8.733 -7.260 No H/Q in entry = 10 In of MODEL 13 1 H GLN 3 H GLN 3 -20.207 -7.470 -4.627 2 HA GLN 3 HA GLN 3 -19.757 -5.506 -2.754 3 HB2 GLN 3 HB2 GLN 3 -18.927 -7.602 -1.439 4 HB3 GLN 3 HB3 GLN 3 -17.564 -7.563 -2.539 5 HG2 GLN 3 HG2 GLN 3 -16.802 -6.431 -0.656 6 HG3 GLN 3 HG3 GLN 3 -17.238 -5.148 -1.780 7 HE21 GLN 3 HE21 GLN 3 -20.137 -5.572 -1.279 8 HE22 GLN 3 HE22 GLN 3 -20.436 -4.841 0.256 No H/Q in entry = 8 In of MODEL 13 1 H ARG 4 H ARG 4 -17.272 -4.704 -3.125 2 HA ARG 4 HA ARG 4 -16.776 -4.912 -6.027 3 HB2 ARG 4 HB2 ARG 4 -17.592 -2.725 -5.672 4 HB3 ARG 4 HB3 ARG 4 -16.711 -2.552 -4.169 5 HG2 ARG 4 HG2 ARG 4 -14.640 -2.154 -5.287 6 HG3 ARG 4 HG3 ARG 4 -15.294 -2.718 -6.837 7 HD2 ARG 4 HD2 ARG 4 -15.067 -0.231 -6.610 8 HD3 ARG 4 HD3 ARG 4 -16.695 -0.775 -7.021 9 HE ARG 4 HE ARG 4 -16.496 -0.552 -4.228 10 HH11 ARG 4 HH11 ARG 4 -16.518 1.503 -7.062 11 HH12 ARG 4 HH12 ARG 4 -17.199 2.863 -6.222 12 HH21 ARG 4 HH21 ARG 4 -17.358 1.262 -3.116 13 HH22 ARG 4 HH22 ARG 4 -17.685 2.724 -4.003 No H/Q in entry = 13 In of MODEL 13 1 H THR 5 H THR 5 -14.744 -5.430 -6.662 2 HA THR 5 HA THR 5 -12.963 -6.458 -4.661 3 HB THR 5 HB THR 5 -11.598 -7.264 -6.506 4 HG1 THR 5 HG1 THR 5 -12.194 -5.225 -7.798 5 HG21 THR 5 HG21 THR 5 -14.542 -7.671 -6.608 6 HG22 THR 5 HG22 THR 5 -13.564 -8.317 -7.925 7 HG23 THR 5 HG23 THR 5 -13.239 -8.820 -6.270 No H/Q in entry = 7 In of MODEL 13 1 HA PRO 6 HA PRO 6 -10.574 -2.624 -4.537 2 HB2 PRO 6 HB2 PRO 6 -8.855 -3.971 -2.622 3 HB3 PRO 6 HB3 PRO 6 -9.917 -2.581 -2.384 4 HG2 PRO 6 HG2 PRO 6 -10.387 -5.051 -1.307 5 HG3 PRO 6 HG3 PRO 6 -11.665 -3.864 -1.667 6 HD2 PRO 6 HD2 PRO 6 -10.852 -6.313 -3.195 7 HD3 PRO 6 HD3 PRO 6 -12.466 -5.593 -2.963 No H/Q in entry = 7 In of MODEL 13 1 H LYS 7 H LYS 7 -8.833 -2.028 -5.672 2 HA LYS 7 HA LYS 7 -7.109 -4.161 -6.739 3 HB2 LYS 7 HB2 LYS 7 -8.353 -2.836 -8.425 4 HB3 LYS 7 HB3 LYS 7 -7.640 -1.359 -7.796 5 HG2 LYS 7 HG2 LYS 7 -5.406 -2.224 -8.438 6 HG3 LYS 7 HG3 LYS 7 -6.202 -3.611 -9.182 7 HD2 LYS 7 HD2 LYS 7 -7.390 -2.124 -10.710 8 HD3 LYS 7 HD3 LYS 7 -6.643 -0.721 -9.941 9 HE2 LYS 7 HE2 LYS 7 -4.418 -1.633 -10.580 10 HE3 LYS 7 HE3 LYS 7 -5.241 -2.917 -11.462 11 HZ1 LYS 7 HZ1 LYS 7 -5.569 -0.015 -12.021 12 HZ2 LYS 7 HZ2 LYS 7 -4.529 -1.048 -12.874 13 HZ3 LYS 7 HZ3 LYS 7 -6.205 -1.300 -12.927 No H/Q in entry = 13 In of MODEL 13 1 H ILE 8 H ILE 8 -4.816 -3.669 -6.987 2 HA ILE 8 HA ILE 8 -3.889 -2.130 -4.655 3 HB ILE 8 HB ILE 8 -2.109 -4.015 -6.140 4 HG12 ILE 8 HG12 ILE 8 -4.123 -5.340 -5.844 5 HG13 ILE 8 HG13 ILE 8 -2.898 -5.882 -4.708 6 HG21 ILE 8 HG21 ILE 8 -2.397 -3.249 -3.237 7 HG22 ILE 8 HG22 ILE 8 -1.180 -4.348 -3.886 8 HG23 ILE 8 HG23 ILE 8 -1.183 -2.651 -4.364 9 HD11 ILE 8 HD11 ILE 8 -3.992 -4.590 -2.944 10 HD12 ILE 8 HD12 ILE 8 -5.240 -4.110 -4.093 11 HD13 ILE 8 HD13 ILE 8 -5.056 -5.809 -3.652 No H/Q in entry = 11 In of MODEL 13 1 H GLN 9 H GLN 9 -2.584 -0.428 -4.908 2 HA GLN 9 HA GLN 9 -1.004 -0.215 -7.356 3 HB2 GLN 9 HB2 GLN 9 -1.973 2.444 -6.576 4 HB3 GLN 9 HB3 GLN 9 -2.083 1.715 -8.184 5 HG2 GLN 9 HG2 GLN 9 -4.057 0.496 -7.550 6 HG3 GLN 9 HG3 GLN 9 -4.022 1.202 -5.942 7 HE21 GLN 9 HE21 GLN 9 -4.618 1.737 -9.306 8 HE22 GLN 9 HE22 GLN 9 -5.410 3.272 -9.145 No H/Q in entry = 8 In of MODEL 13 1 H VAL 10 H VAL 10 1.026 0.054 -6.751 2 HA VAL 10 HA VAL 10 1.666 1.333 -4.177 3 HB VAL 10 HB VAL 10 3.243 -0.957 -5.349 4 HG11 VAL 10 HG11 VAL 10 4.405 0.427 -3.708 5 HG12 VAL 10 HG12 VAL 10 3.112 0.139 -2.546 6 HG13 VAL 10 HG13 VAL 10 4.116 -1.199 -3.090 7 HG21 VAL 10 HG21 VAL 10 0.956 -1.736 -4.954 8 HG22 VAL 10 HG22 VAL 10 2.134 -2.501 -3.886 9 HG23 VAL 10 HG23 VAL 10 1.087 -1.216 -3.272 No H/Q in entry = 9 In of MODEL 13 1 H TYR 11 H TYR 11 3.236 2.850 -4.262 2 HA TYR 11 HA TYR 11 5.346 2.761 -6.180 3 HB2 TYR 11 HB2 TYR 11 4.798 5.072 -7.133 4 HB3 TYR 11 HB3 TYR 11 3.859 3.719 -7.745 5 HD1 TYR 11 HD1 TYR 11 1.557 3.759 -7.681 6 HD2 TYR 11 HD2 TYR 11 3.709 6.552 -5.312 7 HE1 TYR 11 HE1 TYR 11 -0.541 4.941 -7.195 8 HE2 TYR 11 HE2 TYR 11 1.614 7.746 -4.810 9 HH TYR 11 HH TYR 11 -1.501 6.450 -5.680 No H/Q in entry = 9 In of MODEL 13 1 H SER 12 H SER 12 6.820 4.584 -5.991 2 HA SER 12 HA SER 12 7.272 5.278 -3.239 3 HB2 SER 12 HB2 SER 12 9.227 6.582 -4.527 4 HB3 SER 12 HB3 SER 12 9.275 4.816 -4.419 5 HG SER 12 HG SER 12 8.270 6.372 -6.577 No H/Q in entry = 5 In of MODEL 13 1 H ARG 13 H ARG 13 6.817 7.175 -2.252 2 HA ARG 13 HA ARG 13 5.037 9.017 -3.478 3 HB2 ARG 13 HB2 ARG 13 5.264 8.573 -0.979 4 HB3 ARG 13 HB3 ARG 13 6.752 9.493 -1.014 5 HG2 ARG 13 HG2 ARG 13 4.141 10.742 -1.830 6 HG3 ARG 13 HG3 ARG 13 4.662 10.650 -0.155 7 HD2 ARG 13 HD2 ARG 13 6.235 11.930 -2.385 8 HD3 ARG 13 HD3 ARG 13 5.239 12.793 -1.217 9 HE ARG 13 HE ARG 13 7.662 11.259 -0.525 10 HH11 ARG 13 HH11 ARG 13 5.456 13.925 0.012 11 HH12 ARG 13 HH12 ARG 13 6.371 14.573 1.341 12 HH21 ARG 13 HH21 ARG 13 8.892 12.150 1.197 13 HH22 ARG 13 HH22 ARG 13 8.315 13.585 2.003 No H/Q in entry = 13 In of MODEL 13 1 H HIS 14 H HIS 14 8.499 9.172 -2.841 2 HA HIS 14 HA HIS 14 8.695 11.233 -4.916 3 HB2 HIS 14 HB2 HIS 14 9.903 11.225 -2.183 4 HB3 HIS 14 HB3 HIS 14 10.867 11.896 -3.495 5 HD2 HIS 14 HD2 HIS 14 7.651 13.061 -4.632 6 HE1 HIS 14 HE1 HIS 14 8.606 15.760 -1.518 7 HE2 HIS 14 HE2 HIS 14 7.021 15.273 -3.434 No H/Q in entry = 7 In of MODEL 13 1 HA PRO 15 HA PRO 15 11.879 8.856 -6.967 2 HB2 PRO 15 HB2 PRO 15 14.334 10.090 -6.362 3 HB3 PRO 15 HB3 PRO 15 13.307 10.420 -7.770 4 HG2 PRO 15 HG2 PRO 15 13.544 11.949 -5.191 5 HG3 PRO 15 HG3 PRO 15 13.201 12.543 -6.850 6 HD2 PRO 15 HD2 PRO 15 11.259 12.337 -4.980 7 HD3 PRO 15 HD3 PRO 15 10.940 12.010 -6.709 No H/Q in entry = 7 In of MODEL 13 1 H ALA 16 H ALA 16 12.856 6.988 -6.469 2 HA ALA 16 HA ALA 16 13.428 6.470 -3.670 3 HB1 ALA 16 HB1 ALA 16 11.907 4.964 -4.857 4 HB2 ALA 16 HB2 ALA 16 13.195 4.565 -5.994 5 HB3 ALA 16 HB3 ALA 16 13.348 4.121 -4.295 No H/Q in entry = 5 In of MODEL 13 1 H GLU 17 H GLU 17 15.435 6.106 -2.920 2 HA GLU 17 HA GLU 17 17.578 5.660 -4.861 3 HB2 GLU 17 HB2 GLU 17 17.464 8.041 -4.078 4 HB3 GLU 17 HB3 GLU 17 17.791 7.462 -2.447 5 HG2 GLU 17 HG2 GLU 17 19.821 8.276 -3.487 6 HG3 GLU 17 HG3 GLU 17 19.920 6.538 -3.208 No H/Q in entry = 6 In of MODEL 13 1 H ASN 18 H ASN 18 18.891 4.056 -4.366 2 HA ASN 18 HA ASN 18 18.399 2.437 -2.052 3 HB2 ASN 18 HB2 ASN 18 18.886 1.099 -3.846 4 HB3 ASN 18 HB3 ASN 18 20.058 2.227 -4.525 5 HD21 ASN 18 HD21 ASN 18 21.633 0.743 -4.879 6 HD22 ASN 18 HD22 ASN 18 22.475 -0.093 -3.619 No H/Q in entry = 6 In of MODEL 13 1 H GLY 19 H GLY 19 19.368 2.472 -0.186 2 HA2 GLY 19 HA2 GLY 19 22.046 3.571 0.163 3 HA3 GLY 19 HA3 GLY 19 21.035 2.839 1.421 No H/Q in entry = 3 In of MODEL 13 1 H LYS 20 H LYS 20 18.786 4.549 0.367 2 HA LYS 20 HA LYS 20 19.467 7.031 1.772 3 HB2 LYS 20 HB2 LYS 20 19.739 7.120 -0.800 4 HB3 LYS 20 HB3 LYS 20 17.990 7.029 -0.850 5 HG2 LYS 20 HG2 LYS 20 18.608 9.305 -1.046 6 HG3 LYS 20 HG3 LYS 20 17.908 9.086 0.559 7 HD2 LYS 20 HD2 LYS 20 20.159 8.967 1.520 8 HD3 LYS 20 HD3 LYS 20 20.856 9.168 -0.085 9 HE2 LYS 20 HE2 LYS 20 19.106 11.173 1.338 10 HE3 LYS 20 HE3 LYS 20 20.860 11.266 1.187 11 HZ1 LYS 20 HZ1 LYS 20 20.377 11.151 -1.327 12 HZ2 LYS 20 HZ2 LYS 20 18.799 11.614 -0.896 13 HZ3 LYS 20 HZ3 LYS 20 20.110 12.613 -0.508 No H/Q in entry = 13 In of MODEL 13 1 H SER 21 H SER 21 17.698 8.029 2.706 2 HA SER 21 HA SER 21 15.529 6.341 3.400 3 HB2 SER 21 HB2 SER 21 16.014 9.284 3.847 4 HB3 SER 21 HB3 SER 21 14.707 8.368 4.593 5 HG SER 21 HG SER 21 16.862 6.984 5.069 No H/Q in entry = 5 In of MODEL 13 1 H ASN 22 H ASN 22 13.452 6.340 2.719 2 HA ASN 22 HA ASN 22 12.626 8.192 0.603 3 HB2 ASN 22 HB2 ASN 22 13.687 5.897 -0.261 4 HB3 ASN 22 HB3 ASN 22 12.144 5.240 0.272 5 HD21 ASN 22 HD21 ASN 22 12.390 8.489 -1.055 6 HD22 ASN 22 HD22 ASN 22 11.601 8.119 -2.547 No H/Q in entry = 6 In of MODEL 13 1 H PHE 23 H PHE 23 10.202 7.643 0.065 2 HA PHE 23 HA PHE 23 8.847 6.831 2.546 3 HB2 PHE 23 HB2 PHE 23 8.280 9.245 0.822 4 HB3 PHE 23 HB3 PHE 23 7.111 8.596 1.961 5 HD1 PHE 23 HD1 PHE 23 10.727 9.572 1.992 6 HD2 PHE 23 HD2 PHE 23 6.940 9.708 3.927 7 HE1 PHE 23 HE1 PHE 23 11.688 10.977 3.767 8 HE2 PHE 23 HE2 PHE 23 7.894 11.119 5.702 9 HZ PHE 23 HZ PHE 23 10.269 11.746 5.629 No H/Q in entry = 9 In of MODEL 13 1 H LEU 24 H LEU 24 7.448 5.238 2.208 2 HA LEU 24 HA LEU 24 6.832 4.405 -0.521 3 HB2 LEU 24 HB2 LEU 24 7.257 3.097 1.880 4 HB3 LEU 24 HB3 LEU 24 5.534 2.935 1.641 5 HG LEU 24 HG LEU 24 7.749 1.909 -0.150 6 HD11 LEU 24 HD11 LEU 24 5.567 0.530 1.421 7 HD12 LEU 24 HD12 LEU 24 6.716 -0.276 0.351 8 HD13 LEU 24 HD13 LEU 24 7.288 0.539 1.808 9 HD21 LEU 24 HD21 LEU 24 4.784 1.997 -0.677 10 HD22 LEU 24 HD22 LEU 24 6.085 2.667 -1.670 11 HD23 LEU 24 HD23 LEU 24 5.901 0.916 -1.513 No H/Q in entry = 11 In of MODEL 13 1 H ASN 25 H ASN 25 4.723 4.103 -1.261 2 HA ASN 25 HA ASN 25 2.550 5.161 0.399 3 HB2 ASN 25 HB2 ASN 25 3.386 6.209 -2.275 4 HB3 ASN 25 HB3 ASN 25 1.661 6.080 -1.971 5 HD21 ASN 25 HD21 ASN 25 1.355 8.278 -2.030 6 HD22 ASN 25 HD22 ASN 25 1.893 9.329 -0.770 No H/Q in entry = 6 In of MODEL 13 1 H CYS 26 H CYS 26 0.893 3.782 0.460 2 HA CYS 26 HA CYS 26 0.541 1.906 -1.776 3 HB2 CYS 26 HB2 CYS 26 1.483 0.966 0.448 4 HB3 CYS 26 HB3 CYS 26 -0.156 1.204 1.059 No H/Q in entry = 4 In of MODEL 13 1 H TYR 27 H TYR 27 -1.378 2.074 -2.727 2 HA TYR 27 HA TYR 27 -3.487 3.522 -1.245 3 HB2 TYR 27 HB2 TYR 27 -2.413 3.922 -4.002 4 HB3 TYR 27 HB3 TYR 27 -4.131 4.171 -3.743 5 HD1 TYR 27 HD1 TYR 27 -4.912 6.043 -2.312 6 HD2 TYR 27 HD2 TYR 27 -0.773 5.503 -3.175 7 HE1 TYR 27 HE1 TYR 27 -4.487 8.374 -1.700 8 HE2 TYR 27 HE2 TYR 27 -0.341 7.836 -2.539 9 HH TYR 27 HH TYR 27 -2.728 9.793 -0.972 No H/Q in entry = 9 In of MODEL 13 1 H VAL 28 H VAL 28 -5.006 2.033 -0.802 2 HA VAL 28 HA VAL 28 -5.789 0.241 -3.008 3 HB VAL 28 HB VAL 28 -6.588 -0.277 -0.162 4 HG11 VAL 28 HG11 VAL 28 -6.150 -2.040 -2.564 5 HG12 VAL 28 HG12 VAL 28 -6.664 -2.601 -0.973 6 HG13 VAL 28 HG13 VAL 28 -7.708 -1.532 -1.911 7 HG21 VAL 28 HG21 VAL 28 -3.964 -1.011 -1.441 8 HG22 VAL 28 HG22 VAL 28 -4.225 -0.127 0.064 9 HG23 VAL 28 HG23 VAL 28 -4.622 -1.844 -0.031 No H/Q in entry = 9 In of MODEL 13 1 H SER 29 H SER 29 -7.741 0.535 -3.858 2 HA SER 29 HA SER 29 -9.850 1.781 -2.308 3 HB2 SER 29 HB2 SER 29 -10.226 3.453 -4.219 4 HB3 SER 29 HB3 SER 29 -8.890 3.765 -3.109 5 HG SER 29 HG SER 29 -7.468 2.933 -4.642 No H/Q in entry = 5 In of MODEL 13 1 H GLY 30 H GLY 30 -11.923 1.897 -3.616 2 HA2 GLY 30 HA2 GLY 30 -12.137 -0.123 -5.695 3 HA3 GLY 30 HA3 GLY 30 -13.449 0.859 -5.047 No H/Q in entry = 3 In of MODEL 13 1 H PHE 31 H PHE 31 -14.746 -0.094 -3.441 2 HA PHE 31 HA PHE 31 -14.695 -2.509 -2.510 3 HB2 PHE 31 HB2 PHE 31 -13.476 -2.681 -0.419 4 HB3 PHE 31 HB3 PHE 31 -12.397 -2.436 -1.787 5 HD1 PHE 31 HD1 PHE 31 -13.702 -1.004 1.319 6 HD2 PHE 31 HD2 PHE 31 -11.073 -0.463 -1.979 7 HE1 PHE 31 HE1 PHE 31 -12.451 0.688 2.588 8 HE2 PHE 31 HE2 PHE 31 -9.845 1.254 -0.724 9 HZ PHE 31 HZ PHE 31 -10.524 1.806 1.570 No H/Q in entry = 9 In of MODEL 13 1 H HIS 32 H HIS 32 -15.447 -2.685 -0.032 2 HA HIS 32 HA HIS 32 -16.920 -0.359 0.848 3 HB2 HIS 32 HB2 HIS 32 -18.501 -2.883 0.171 4 HB3 HIS 32 HB3 HIS 32 -19.122 -1.458 0.976 5 HD2 HIS 32 HD2 HIS 32 -18.609 -2.847 -2.543 6 HE1 HIS 32 HE1 HIS 32 -20.036 1.121 -2.869 7 HE2 HIS 32 HE2 HIS 32 -19.862 -1.122 -4.028 No H/Q in entry = 7 In of MODEL 13 1 HA PRO 33 HA PRO 33 -19.024 -0.456 2.564 2 HB2 PRO 33 HB2 PRO 33 -18.083 0.354 5.245 3 HB3 PRO 33 HB3 PRO 33 -19.714 -0.040 4.694 4 HG2 PRO 33 HG2 PRO 33 -18.339 -1.706 6.269 5 HG3 PRO 33 HG3 PRO 33 -19.412 -2.310 4.993 6 HD2 PRO 33 HD2 PRO 33 -16.430 -2.101 5.025 7 HD3 PRO 33 HD3 PRO 33 -17.465 -3.390 4.362 No H/Q in entry = 7 In of MODEL 13 1 H SER 34 H SER 34 -16.383 0.704 4.672 2 HA SER 34 HA SER 34 -15.295 2.326 2.531 3 HB2 SER 34 HB2 SER 34 -16.214 3.471 5.188 4 HB3 SER 34 HB3 SER 34 -15.261 4.343 3.986 5 HG SER 34 HG SER 34 -17.296 3.398 2.671 No H/Q in entry = 5 In of MODEL 13 1 H ASP 35 H ASP 35 -14.617 -0.054 3.974 2 HA ASP 35 HA ASP 35 -12.207 0.777 5.445 3 HB2 ASP 35 HB2 ASP 35 -14.118 -1.371 6.394 4 HB3 ASP 35 HB3 ASP 35 -12.641 -0.858 7.200 No H/Q in entry = 4 In of MODEL 13 1 H ILE 36 H ILE 36 -10.445 -0.351 4.948 2 HA ILE 36 HA ILE 36 -10.638 -3.156 4.214 3 HB ILE 36 HB ILE 36 -10.554 -1.747 2.046 4 HG12 ILE 36 HG12 ILE 36 -8.681 -3.952 2.800 5 HG13 ILE 36 HG13 ILE 36 -10.116 -4.037 1.794 6 HG21 ILE 36 HG21 ILE 36 -7.724 -1.377 3.023 7 HG22 ILE 36 HG22 ILE 36 -8.282 -1.017 1.388 8 HG23 ILE 36 HG23 ILE 36 -8.912 -0.100 2.756 9 HD11 ILE 36 HD11 ILE 36 -7.469 -2.822 1.024 10 HD12 ILE 36 HD12 ILE 36 -8.098 -4.382 0.489 11 HD13 ILE 36 HD13 ILE 36 -8.902 -2.891 0.000 No H/Q in entry = 11 In of MODEL 13 1 H GLU 37 H GLU 37 -8.574 -4.276 4.583 2 HA GLU 37 HA GLU 37 -6.705 -2.669 6.176 3 HB2 GLU 37 HB2 GLU 37 -7.907 -4.593 7.342 4 HB3 GLU 37 HB3 GLU 37 -7.009 -5.660 6.278 5 HG2 GLU 37 HG2 GLU 37 -5.842 -5.581 8.354 6 HG3 GLU 37 HG3 GLU 37 -4.896 -4.664 7.182 No H/Q in entry = 6 In of MODEL 13 1 H VAL 38 H VAL 38 -4.788 -2.401 5.331 2 HA VAL 38 HA VAL 38 -3.746 -4.407 3.491 3 HB VAL 38 HB VAL 38 -3.982 -3.059 1.744 4 HG11 VAL 38 HG11 VAL 38 -4.510 -0.801 3.651 5 HG12 VAL 38 HG12 VAL 38 -4.709 -0.720 1.898 6 HG13 VAL 38 HG13 VAL 38 -5.698 -1.830 2.848 7 HG21 VAL 38 HG21 VAL 38 -1.951 -1.305 3.130 8 HG22 VAL 38 HG22 VAL 38 -1.616 -2.647 2.036 9 HG23 VAL 38 HG23 VAL 38 -2.396 -1.184 1.424 No H/Q in entry = 9 In of MODEL 13 1 H ASP 39 H ASP 39 -1.695 -4.840 3.692 2 HA ASP 39 HA ASP 39 -0.210 -3.420 5.802 3 HB2 ASP 39 HB2 ASP 39 -0.067 -5.267 7.086 4 HB3 ASP 39 HB3 ASP 39 -1.318 -5.946 6.054 No H/Q in entry = 4 In of MODEL 13 1 H LEU 40 H LEU 40 2.048 -3.382 5.579 2 HA LEU 40 HA LEU 40 2.864 -3.695 2.785 3 HB2 LEU 40 HB2 LEU 40 4.288 -2.166 4.952 4 HB3 LEU 40 HB3 LEU 40 4.597 -2.101 3.230 5 HG LEU 40 HG LEU 40 2.179 -1.025 4.666 6 HD11 LEU 40 HD11 LEU 40 4.457 0.327 3.227 7 HD12 LEU 40 HD12 LEU 40 3.042 1.139 3.898 8 HD13 LEU 40 HD13 LEU 40 4.174 0.314 4.969 9 HD21 LEU 40 HD21 LEU 40 2.826 -1.071 1.725 10 HD22 LEU 40 HD22 LEU 40 1.455 -1.841 2.529 11 HD23 LEU 40 HD23 LEU 40 1.566 -0.078 2.463 No H/Q in entry = 11 In of MODEL 13 1 H LEU 41 H LEU 41 4.649 -4.863 2.236 2 HA LEU 41 HA LEU 41 5.702 -6.589 4.355 3 HB2 LEU 41 HB2 LEU 41 5.738 -7.346 1.477 4 HB3 LEU 41 HB3 LEU 41 5.855 -8.361 2.875 5 HG LEU 41 HG LEU 41 3.331 -6.950 2.047 6 HD11 LEU 41 HD11 LEU 41 4.179 -9.822 1.684 7 HD12 LEU 41 HD12 LEU 41 2.583 -9.168 1.324 8 HD13 LEU 41 HD13 LEU 41 3.983 -8.625 0.403 9 HD21 LEU 41 HD21 LEU 41 3.886 -9.075 4.113 10 HD22 LEU 41 HD22 LEU 41 3.456 -7.393 4.432 11 HD23 LEU 41 HD23 LEU 41 2.290 -8.472 3.665 No H/Q in entry = 11 In of MODEL 13 1 H LYS 42 H LYS 42 7.620 -7.756 3.459 2 HA LYS 42 HA LYS 42 9.582 -6.155 2.117 3 HB2 LYS 42 HB2 LYS 42 10.081 -7.020 4.964 4 HB3 LYS 42 HB3 LYS 42 11.254 -6.270 3.895 5 HG2 LYS 42 HG2 LYS 42 9.638 -4.284 3.725 6 HG3 LYS 42 HG3 LYS 42 8.756 -5.054 5.013 7 HD2 LYS 42 HD2 LYS 42 11.705 -4.420 5.344 8 HD3 LYS 42 HD3 LYS 42 10.421 -3.261 5.743 9 HE2 LYS 42 HE2 LYS 42 9.442 -4.961 7.258 10 HE3 LYS 42 HE3 LYS 42 10.817 -6.009 6.908 11 HZ1 LYS 42 HZ1 LYS 42 12.280 -4.245 7.776 12 HZ2 LYS 42 HZ2 LYS 42 10.914 -3.339 8.204 13 HZ3 LYS 42 HZ3 LYS 42 11.202 -4.834 8.948 No H/Q in entry = 13 In of MODEL 13 1 H ASN 43 H ASN 43 9.912 -7.620 0.688 2 HA ASN 43 HA ASN 43 10.533 -9.519 -0.385 3 HB2 ASN 43 HB2 ASN 43 11.593 -10.402 2.321 4 HB3 ASN 43 HB3 ASN 43 12.008 -11.139 0.776 5 HD21 ASN 43 HD21 ASN 43 13.286 -9.930 -0.703 6 HD22 ASN 43 HD22 ASN 43 14.301 -8.639 -0.139 No H/Q in entry = 6 In of MODEL 13 1 H GLY 44 H GLY 44 8.535 -9.643 2.363 2 HA2 GLY 44 HA2 GLY 44 7.636 -12.377 1.969 3 HA3 GLY 44 HA3 GLY 44 6.476 -11.112 1.532 No H/Q in entry = 3 In of MODEL 13 1 H GLU 45 H GLU 45 8.426 -9.972 3.972 2 HA GLU 45 HA GLU 45 6.880 -11.115 6.174 3 HB2 GLU 45 HB2 GLU 45 9.308 -9.332 6.210 4 HB3 GLU 45 HB3 GLU 45 8.656 -10.224 7.577 5 HG2 GLU 45 HG2 GLU 45 9.275 -12.308 6.538 6 HG3 GLU 45 HG3 GLU 45 9.789 -11.454 5.087 No H/Q in entry = 6 In of MODEL 13 1 H ARG 46 H ARG 46 5.615 -9.819 7.535 2 HA ARG 46 HA ARG 46 4.595 -7.423 6.416 3 HB2 ARG 46 HB2 ARG 46 3.256 -8.964 7.805 4 HB3 ARG 46 HB3 ARG 46 4.250 -8.551 9.199 5 HG2 ARG 46 HG2 ARG 46 3.451 -6.302 9.208 6 HG3 ARG 46 HG3 ARG 46 2.637 -6.520 7.663 7 HD2 ARG 46 HD2 ARG 46 0.967 -7.919 8.636 8 HD3 ARG 46 HD3 ARG 46 1.899 -8.081 10.134 9 HE ARG 46 HE ARG 46 1.500 -5.483 10.144 10 HH11 ARG 46 HH11 ARG 46 -0.784 -8.011 9.306 11 HH12 ARG 46 HH12 ARG 46 -2.168 -7.088 9.799 12 HH21 ARG 46 HH21 ARG 46 -0.321 -4.278 10.792 13 HH22 ARG 46 HH22 ARG 46 -1.908 -4.984 10.652 No H/Q in entry = 13 In of MODEL 13 1 H ILE 47 H ILE 47 4.917 -5.326 6.910 2 HA ILE 47 HA ILE 47 7.198 -4.608 8.577 3 HB ILE 47 HB ILE 47 5.386 -2.845 6.913 4 HG12 ILE 47 HG12 ILE 47 8.183 -3.771 6.283 5 HG13 ILE 47 HG13 ILE 47 6.739 -4.454 5.540 6 HG21 ILE 47 HG21 ILE 47 6.478 -1.674 8.764 7 HG22 ILE 47 HG22 ILE 47 8.047 -2.255 8.211 8 HG23 ILE 47 HG23 ILE 47 7.118 -1.143 7.208 9 HD11 ILE 47 HD11 ILE 47 6.300 -1.889 4.991 10 HD12 ILE 47 HD12 ILE 47 8.054 -1.840 5.092 11 HD13 ILE 47 HD13 ILE 47 7.265 -2.921 3.939 No H/Q in entry = 11 In of MODEL 13 1 H GLU 48 H GLU 48 6.986 -3.549 10.507 2 HA GLU 48 HA GLU 48 4.269 -3.356 11.530 3 HB2 GLU 48 HB2 GLU 48 5.558 -3.047 13.750 4 HB3 GLU 48 HB3 GLU 48 5.492 -4.642 13.018 5 HG2 GLU 48 HG2 GLU 48 7.794 -2.757 12.710 6 HG3 GLU 48 HG3 GLU 48 7.692 -3.951 13.983 No H/Q in entry = 6 In of MODEL 13 1 H LYS 49 H LYS 49 7.147 -1.324 11.069 2 HA LYS 49 HA LYS 49 6.219 1.002 12.240 3 HB2 LYS 49 HB2 LYS 49 8.007 0.722 9.827 4 HB3 LYS 49 HB3 LYS 49 7.872 2.146 10.851 5 HG2 LYS 49 HG2 LYS 49 8.476 -0.263 12.341 6 HG3 LYS 49 HG3 LYS 49 9.691 0.124 11.121 7 HD2 LYS 49 HD2 LYS 49 9.992 2.309 12.067 8 HD3 LYS 49 HD3 LYS 49 8.622 2.079 13.150 9 HE2 LYS 49 HE2 LYS 49 9.906 0.201 14.223 10 HE3 LYS 49 HE3 LYS 49 11.301 0.678 13.252 11 HZ1 LYS 49 HZ1 LYS 49 11.161 2.892 14.276 12 HZ2 LYS 49 HZ2 LYS 49 9.905 2.342 15.275 13 HZ3 LYS 49 HZ3 LYS 49 11.457 1.665 15.410 No H/Q in entry = 13 In of MODEL 13 1 H VAL 50 H VAL 50 4.598 -0.494 9.857 2 HA VAL 50 HA VAL 50 4.008 1.580 8.029 3 HB VAL 50 HB VAL 50 2.267 -0.752 8.826 4 HG11 VAL 50 HG11 VAL 50 1.089 1.078 7.642 5 HG12 VAL 50 HG12 VAL 50 2.246 0.922 6.315 6 HG13 VAL 50 HG13 VAL 50 1.164 -0.418 6.698 7 HG21 VAL 50 HG21 VAL 50 4.532 -1.375 8.053 8 HG22 VAL 50 HG22 VAL 50 3.255 -1.923 6.977 9 HG23 VAL 50 HG23 VAL 50 4.220 -0.516 6.544 No H/Q in entry = 9 In of MODEL 13 1 H GLU 51 H GLU 51 2.521 3.180 8.034 2 HA GLU 51 HA GLU 51 0.589 3.285 10.233 3 HB2 GLU 51 HB2 GLU 51 2.323 5.615 9.380 4 HB3 GLU 51 HB3 GLU 51 1.029 5.671 10.574 5 HG2 GLU 51 HG2 GLU 51 2.244 4.221 12.045 6 HG3 GLU 51 HG3 GLU 51 3.503 3.981 10.833 No H/Q in entry = 6 In of MODEL 13 1 H HIS 52 H HIS 52 -1.298 4.293 9.763 2 HA HIS 52 HA HIS 52 -1.695 5.087 6.954 3 HB2 HIS 52 HB2 HIS 52 -4.114 4.556 7.286 4 HB3 HIS 52 HB3 HIS 52 -3.049 3.163 7.369 5 HD2 HIS 52 HD2 HIS 52 -2.623 2.248 10.126 6 HE1 HIS 52 HE1 HIS 52 -6.328 3.892 11.332 7 HE2 HIS 52 HE2 HIS 52 -4.586 2.121 11.812 No H/Q in entry = 7 In of MODEL 13 1 H SER 53 H SER 53 -2.378 7.082 6.508 2 HA SER 53 HA SER 53 -2.515 9.012 8.635 3 HB2 SER 53 HB2 SER 53 -2.904 9.253 5.635 4 HB3 SER 53 HB3 SER 53 -2.938 10.640 6.722 5 HG SER 53 HG SER 53 -0.791 10.044 7.353 No H/Q in entry = 5 In of MODEL 13 1 H ASP 54 H ASP 54 -4.311 10.809 8.198 2 HA ASP 54 HA ASP 54 -6.738 9.818 9.135 3 HB2 ASP 54 HB2 ASP 54 -5.914 12.197 9.274 4 HB3 ASP 54 HB3 ASP 54 -6.369 12.388 7.584 No H/Q in entry = 4 In of MODEL 13 1 H LEU 55 H LEU 55 -8.304 8.754 8.191 2 HA LEU 55 HA LEU 55 -8.193 7.606 5.736 3 HB2 LEU 55 HB2 LEU 55 -9.732 6.928 7.535 4 HB3 LEU 55 HB3 LEU 55 -10.744 8.318 7.185 5 HG LEU 55 HG LEU 55 -11.125 7.396 4.891 6 HD11 LEU 55 HD11 LEU 55 -9.145 5.964 4.770 7 HD12 LEU 55 HD12 LEU 55 -9.835 4.917 6.014 8 HD13 LEU 55 HD13 LEU 55 -10.633 5.074 4.449 9 HD21 LEU 55 HD21 LEU 55 -12.759 7.115 6.694 10 HD22 LEU 55 HD22 LEU 55 -12.755 5.743 5.589 11 HD23 LEU 55 HD23 LEU 55 -11.976 5.607 7.165 No H/Q in entry = 11 In of MODEL 13 1 H SER 56 H SER 56 -10.848 9.860 6.221 2 HA SER 56 HA SER 56 -10.423 11.746 4.284 3 HB2 SER 56 HB2 SER 56 -12.028 10.689 2.451 4 HB3 SER 56 HB3 SER 56 -10.309 10.282 2.441 5 HG SER 56 HG SER 56 -10.752 8.304 3.183 No H/Q in entry = 5 In of MODEL 13 1 H PHE 57 H PHE 57 -12.851 12.316 3.251 2 HA PHE 57 HA PHE 57 -14.725 11.978 5.490 3 HB2 PHE 57 HB2 PHE 57 -15.712 14.114 5.001 4 HB3 PHE 57 HB3 PHE 57 -13.977 14.360 5.108 5 HD1 PHE 57 HD1 PHE 57 -12.658 14.676 2.991 6 HD2 PHE 57 HD2 PHE 57 -16.912 14.635 3.058 7 HE1 PHE 57 HE1 PHE 57 -12.704 15.787 0.793 8 HE2 PHE 57 HE2 PHE 57 -16.974 15.716 0.848 9 HZ PHE 57 HZ PHE 57 -14.860 16.311 -0.277 No H/Q in entry = 9 In of MODEL 13 1 H SER 58 H SER 58 -17.112 12.412 4.411 2 HA SER 58 HA SER 58 -17.470 10.272 2.552 3 HB2 SER 58 HB2 SER 58 -19.866 11.089 2.548 4 HB3 SER 58 HB3 SER 58 -19.219 10.691 4.139 5 HG SER 58 HG SER 58 -20.416 12.791 3.770 No H/Q in entry = 5 In of MODEL 13 1 H LYS 59 H LYS 59 -19.393 11.268 0.783 2 HA LYS 59 HA LYS 59 -19.640 12.331 -1.250 3 HB2 LYS 59 HB2 LYS 59 -20.010 14.173 0.411 4 HB3 LYS 59 HB3 LYS 59 -18.338 14.651 0.153 5 HG2 LYS 59 HG2 LYS 59 -18.852 14.978 -2.250 6 HG3 LYS 59 HG3 LYS 59 -20.544 14.629 -1.892 7 HD2 LYS 59 HD2 LYS 59 -20.342 16.987 -1.916 8 HD3 LYS 59 HD3 LYS 59 -20.452 16.519 -0.218 9 HE2 LYS 59 HE2 LYS 59 -18.734 18.182 -0.456 10 HE3 LYS 59 HE3 LYS 59 -17.976 16.634 -0.083 11 HZ1 LYS 59 HZ1 LYS 59 -18.210 17.822 -2.796 12 HZ2 LYS 59 HZ2 LYS 59 -16.805 17.821 -1.847 13 HZ3 LYS 59 HZ3 LYS 59 -17.446 16.358 -2.422 No H/Q in entry = 13 In of MODEL 13 1 H ASP 60 H ASP 60 -17.922 10.926 -2.293 2 HA ASP 60 HA ASP 60 -15.539 12.499 -2.904 3 HB2 ASP 60 HB2 ASP 60 -14.687 11.262 -1.082 4 HB3 ASP 60 HB3 ASP 60 -15.509 9.791 -1.592 No H/Q in entry = 4 In of MODEL 13 1 H TRP 61 H TRP 61 -16.523 9.124 -3.360 2 HA TRP 61 HA TRP 61 -17.324 8.954 -5.924 3 HB2 TRP 61 HB2 TRP 61 -15.215 10.233 -6.520 4 HB3 TRP 61 HB3 TRP 61 -14.295 8.839 -5.964 5 HD1 TRP 61 HD1 TRP 61 -14.248 6.693 -7.535 6 HE1 TRP 61 HE1 TRP 61 -14.932 6.316 -9.989 7 HE3 TRP 61 HE3 TRP 61 -16.926 10.977 -8.292 8 HZ2 TRP 61 HZ2 TRP 61 -16.407 7.659 -11.981 9 HZ3 TRP 61 HZ3 TRP 61 -17.944 11.370 -10.490 10 HH2 TRP 61 HH2 TRP 61 -17.685 9.722 -12.320 No H/Q in entry = 10 In of MODEL 13 1 H SER 62 H SER 62 -14.620 7.700 -3.975 2 HA SER 62 HA SER 62 -15.906 5.104 -3.855 3 HB2 SER 62 HB2 SER 62 -13.304 5.558 -5.306 4 HB3 SER 62 HB3 SER 62 -13.756 3.969 -4.676 5 HG SER 62 HG SER 62 -15.697 5.280 -6.164 No H/Q in entry = 5 In of MODEL 13 1 H PHE 63 H PHE 63 -13.975 7.471 -2.517 2 HA PHE 63 HA PHE 63 -12.961 7.733 -0.512 3 HB2 PHE 63 HB2 PHE 63 -13.812 4.916 0.203 4 HB3 PHE 63 HB3 PHE 63 -13.345 6.192 1.314 5 HD1 PHE 63 HD1 PHE 63 -16.021 4.701 -0.590 6 HD2 PHE 63 HD2 PHE 63 -14.927 8.114 1.714 7 HE1 PHE 63 HE1 PHE 63 -18.400 5.268 -0.311 8 HE2 PHE 63 HE2 PHE 63 -17.325 8.689 1.997 9 HZ PHE 63 HZ PHE 63 -19.045 7.263 0.975 No H/Q in entry = 9 In of MODEL 13 1 H TYR 64 H TYR 64 -10.973 7.341 0.491 2 HA TYR 64 HA TYR 64 -9.320 5.269 -0.780 3 HB2 TYR 64 HB2 TYR 64 -8.392 8.119 -0.332 4 HB3 TYR 64 HB3 TYR 64 -7.518 6.844 -1.167 5 HD1 TYR 64 HD1 TYR 64 -7.889 6.423 -3.500 6 HD2 TYR 64 HD2 TYR 64 -10.415 9.109 -1.377 7 HE1 TYR 64 HE1 TYR 64 -8.868 7.193 -5.633 8 HE2 TYR 64 HE2 TYR 64 -11.392 9.869 -3.490 9 HH TYR 64 HH TYR 64 -10.975 9.952 -5.777 No H/Q in entry = 9 In of MODEL 13 1 H LEU 65 H LEU 65 -7.742 4.397 0.518 2 HA LEU 65 HA LEU 65 -7.238 5.643 3.120 3 HB2 LEU 65 HB2 LEU 65 -8.750 3.994 3.763 4 HB3 LEU 65 HB3 LEU 65 -8.153 2.840 2.590 5 HG LEU 65 HG LEU 65 -6.199 3.542 4.668 6 HD11 LEU 65 HD11 LEU 65 -8.360 3.655 5.910 7 HD12 LEU 65 HD12 LEU 65 -8.667 1.989 5.422 8 HD13 LEU 65 HD13 LEU 65 -7.285 2.370 6.448 9 HD21 LEU 65 HD21 LEU 65 -7.345 0.967 3.605 10 HD22 LEU 65 HD22 LEU 65 -5.871 1.758 3.046 11 HD23 LEU 65 HD23 LEU 65 -5.957 1.109 4.684 No H/Q in entry = 11 In of MODEL 13 1 H LEU 66 H LEU 66 -5.147 5.702 3.698 2 HA LEU 66 HA LEU 66 -3.285 4.645 1.686 3 HB2 LEU 66 HB2 LEU 66 -3.739 7.219 2.196 4 HB3 LEU 66 HB3 LEU 66 -2.569 6.923 3.444 5 HG LEU 66 HG LEU 66 -2.087 6.491 0.511 6 HD11 LEU 66 HD11 LEU 66 -2.283 8.854 1.064 7 HD12 LEU 66 HD12 LEU 66 -1.102 8.657 2.356 8 HD13 LEU 66 HD13 LEU 66 -0.613 8.436 0.678 9 HD21 LEU 66 HD21 LEU 66 -0.224 6.275 2.856 10 HD22 LEU 66 HD22 LEU 66 -0.761 4.962 1.812 11 HD23 LEU 66 HD23 LEU 66 0.272 6.239 1.168 No H/Q in entry = 11 In of MODEL 13 1 H TYR 67 H TYR 67 -1.769 3.286 2.338 2 HA TYR 67 HA TYR 67 -0.975 3.259 5.172 3 HB2 TYR 67 HB2 TYR 67 -1.652 1.025 3.343 4 HB3 TYR 67 HB3 TYR 67 -0.302 0.782 4.442 5 HD1 TYR 67 HD1 TYR 67 -0.684 0.911 6.905 6 HD2 TYR 67 HD2 TYR 67 -3.905 0.929 4.122 7 HE1 TYR 67 HE1 TYR 67 -2.232 0.235 8.698 8 HE2 TYR 67 HE2 TYR 67 -5.442 0.241 5.895 9 HH TYR 67 HH TYR 67 -5.295 -0.960 8.139 No H/Q in entry = 9 In of MODEL 13 1 H TYR 68 H TYR 68 1.040 3.921 5.451 2 HA TYR 68 HA TYR 68 3.013 3.313 3.353 3 HB2 TYR 68 HB2 TYR 68 3.913 5.596 3.440 4 HB3 TYR 68 HB3 TYR 68 2.229 5.600 2.907 5 HD1 TYR 68 HD1 TYR 68 4.574 6.595 5.520 6 HD2 TYR 68 HD2 TYR 68 0.486 6.508 4.355 7 HE1 TYR 68 HE1 TYR 68 4.058 8.276 7.236 8 HE2 TYR 68 HE2 TYR 68 -0.044 8.189 6.062 9 HH TYR 68 HH TYR 68 2.248 10.032 7.623 No H/Q in entry = 9 In of MODEL 13 1 H THR 69 H THR 69 5.245 3.767 4.047 2 HA THR 69 HA THR 69 5.746 3.997 6.896 3 HB THR 69 HB THR 69 5.336 1.543 6.580 4 HG1 THR 69 HG1 THR 69 6.839 2.403 8.173 5 HG21 THR 69 HG21 THR 69 7.745 1.746 4.766 6 HG22 THR 69 HG22 THR 69 7.145 0.231 5.440 7 HG23 THR 69 HG23 THR 69 6.127 1.170 4.344 No H/Q in entry = 7 In of MODEL 13 1 H GLU 70 H GLU 70 7.801 4.814 7.301 2 HA GLU 70 HA GLU 70 9.315 5.703 5.037 3 HB2 GLU 70 HB2 GLU 70 10.402 5.811 7.824 4 HB3 GLU 70 HB3 GLU 70 10.467 7.034 6.565 5 HG2 GLU 70 HG2 GLU 70 8.118 7.509 6.905 6 HG3 GLU 70 HG3 GLU 70 8.063 6.291 8.173 No H/Q in entry = 6 In of MODEL 13 1 H PHE 71 H PHE 71 11.231 4.890 4.333 2 HA PHE 71 HA PHE 71 12.390 2.643 5.693 3 HB2 PHE 71 HB2 PHE 71 12.209 1.088 3.794 4 HB3 PHE 71 HB3 PHE 71 10.624 1.528 4.410 5 HD1 PHE 71 HD1 PHE 71 11.353 0.320 1.707 6 HD2 PHE 71 HD2 PHE 71 10.693 4.319 2.969 7 HE1 PHE 71 HE1 PHE 71 10.645 0.904 -0.569 8 HE2 PHE 71 HE2 PHE 71 9.991 4.922 0.702 9 HZ PHE 71 HZ PHE 71 9.972 3.227 -1.097 No H/Q in entry = 9 In of MODEL 13 1 H THR 72 H THR 72 14.416 1.920 4.625 2 HA THR 72 HA THR 72 15.542 3.951 2.828 3 HB THR 72 HB THR 72 17.012 2.337 4.919 4 HG1 THR 72 HG1 THR 72 15.718 4.061 5.779 5 HG21 THR 72 HG21 THR 72 18.399 2.819 2.948 6 HG22 THR 72 HG22 THR 72 18.004 4.532 3.093 7 HG23 THR 72 HG23 THR 72 18.940 3.732 4.357 No H/Q in entry = 7 In of MODEL 13 1 HA PRO 73 HA PRO 73 15.162 0.032 0.386 2 HB2 PRO 73 HB2 PRO 73 15.788 1.500 -1.946 3 HB3 PRO 73 HB3 PRO 73 14.165 1.062 -1.385 4 HG2 PRO 73 HG2 PRO 73 15.677 3.609 -1.056 5 HG3 PRO 73 HG3 PRO 73 13.936 3.366 -1.306 6 HD2 PRO 73 HD2 PRO 73 14.910 4.010 1.094 7 HD3 PRO 73 HD3 PRO 73 13.570 2.847 0.936 No H/Q in entry = 7 In of MODEL 13 1 H THR 74 H THR 74 16.662 -1.248 -0.591 2 HA THR 74 HA THR 74 19.366 -0.233 -0.949 3 HB THR 74 HB THR 74 20.389 -2.090 0.225 4 HG1 THR 74 HG1 THR 74 17.704 -2.957 0.486 5 HG21 THR 74 HG21 THR 74 19.831 -0.116 1.590 6 HG22 THR 74 HG22 THR 74 18.274 -0.844 1.983 7 HG23 THR 74 HG23 THR 74 19.766 -1.602 2.538 No H/Q in entry = 7 In of MODEL 13 1 H GLU 75 H GLU 75 20.694 -2.027 -2.050 2 HA GLU 75 HA GLU 75 19.414 -2.981 -4.349 3 HB2 GLU 75 HB2 GLU 75 21.850 -2.576 -4.045 4 HB3 GLU 75 HB3 GLU 75 21.943 -4.014 -3.060 5 HG2 GLU 75 HG2 GLU 75 20.905 -4.171 -5.844 6 HG3 GLU 75 HG3 GLU 75 22.630 -4.073 -5.535 No H/Q in entry = 6 In of MODEL 13 1 H LYS 76 H LYS 76 20.147 -4.549 -1.276 2 HA LYS 76 HA LYS 76 19.584 -7.149 -2.273 3 HB2 LYS 76 HB2 LYS 76 20.335 -6.160 0.475 4 HB3 LYS 76 HB3 LYS 76 20.249 -7.853 0.005 5 HG2 LYS 76 HG2 LYS 76 22.176 -7.760 -1.198 6 HG3 LYS 76 HG3 LYS 76 21.935 -6.072 -1.644 7 HD2 LYS 76 HD2 LYS 76 23.782 -6.148 -0.165 8 HD3 LYS 76 HD3 LYS 76 22.425 -5.454 0.723 9 HE2 LYS 76 HE2 LYS 76 23.576 -7.033 2.143 10 HE3 LYS 76 HE3 LYS 76 21.996 -7.692 1.715 11 HZ1 LYS 76 HZ1 LYS 76 24.502 -8.388 0.291 12 HZ2 LYS 76 HZ2 LYS 76 23.866 -9.296 1.577 13 HZ3 LYS 76 HZ3 LYS 76 22.986 -9.131 0.136 No H/Q in entry = 13 In of MODEL 13 1 H ASP 77 H ASP 77 17.776 -4.752 -0.438 2 HA ASP 77 HA ASP 77 15.942 -6.890 0.376 3 HB2 ASP 77 HB2 ASP 77 15.074 -5.428 2.061 4 HB3 ASP 77 HB3 ASP 77 16.817 -5.334 2.133 No H/Q in entry = 4 In of MODEL 13 1 H GLU 78 H GLU 78 13.547 -5.991 0.552 2 HA GLU 78 HA GLU 78 12.665 -4.632 -1.833 3 HB2 GLU 78 HB2 GLU 78 13.355 -6.848 -2.677 4 HB3 GLU 78 HB3 GLU 78 12.244 -7.631 -1.568 5 HG2 GLU 78 HG2 GLU 78 11.266 -7.606 -3.748 6 HG3 GLU 78 HG3 GLU 78 10.376 -6.435 -2.785 No H/Q in entry = 6 In of MODEL 13 1 H TYR 79 H TYR 79 10.401 -4.196 -1.759 2 HA TYR 79 HA TYR 79 9.077 -5.089 0.693 3 HB2 TYR 79 HB2 TYR 79 8.631 -2.270 -0.258 4 HB3 TYR 79 HB3 TYR 79 8.389 -2.968 1.346 5 HD1 TYR 79 HD1 TYR 79 11.218 -2.271 -1.025 6 HD2 TYR 79 HD2 TYR 79 9.870 -2.413 3.009 7 HE1 TYR 79 HE1 TYR 79 13.375 -1.375 -0.279 8 HE2 TYR 79 HE2 TYR 79 12.029 -1.493 3.759 9 HH TYR 79 HH TYR 79 14.624 -1.594 2.457 No H/Q in entry = 9 In of MODEL 13 1 H ALA 80 H ALA 80 6.747 -4.891 0.707 2 HA ALA 80 HA ALA 80 5.544 -4.918 -1.976 3 HB1 ALA 80 HB1 ALA 80 6.356 -7.233 -1.357 4 HB2 ALA 80 HB2 ALA 80 4.653 -7.091 -1.796 5 HB3 ALA 80 HB3 ALA 80 5.121 -7.221 -0.102 No H/Q in entry = 5 In of MODEL 13 1 H CYS 81 H CYS 81 3.137 -5.050 -1.914 2 HA CYS 81 HA CYS 81 2.037 -4.026 0.631 3 HB2 CYS 81 HB2 CYS 81 1.464 -3.381 -2.227 4 HB3 CYS 81 HB3 CYS 81 0.134 -3.308 -1.083 No H/Q in entry = 4 In of MODEL 13 1 H ARG 82 H ARG 82 0.445 -5.191 1.567 2 HA ARG 82 HA ARG 82 -0.824 -7.377 0.018 3 HB2 ARG 82 HB2 ARG 82 0.691 -7.923 2.078 4 HB3 ARG 82 HB3 ARG 82 -0.640 -7.264 3.010 5 HG2 ARG 82 HG2 ARG 82 -2.149 -8.933 2.030 6 HG3 ARG 82 HG3 ARG 82 -0.773 -9.645 1.181 7 HD2 ARG 82 HD2 ARG 82 -0.677 -9.262 4.150 8 HD3 ARG 82 HD3 ARG 82 -1.511 -10.653 3.476 9 HE ARG 82 HE ARG 82 0.787 -10.973 2.285 10 HH11 ARG 82 HH11 ARG 82 0.382 -9.671 5.492 11 HH12 ARG 82 HH12 ARG 82 1.732 -10.533 6.171 12 HH21 ARG 82 HH21 ARG 82 2.612 -12.080 3.127 13 HH22 ARG 82 HH22 ARG 82 3.021 -11.887 4.806 No H/Q in entry = 13 In of MODEL 13 1 H VAL 83 H VAL 83 -3.060 -7.304 -0.091 2 HA VAL 83 HA VAL 83 -4.404 -5.666 1.964 3 HB VAL 83 HB VAL 83 -5.889 -4.634 0.545 4 HG11 VAL 83 HG11 VAL 83 -3.330 -4.856 -0.980 5 HG12 VAL 83 HG12 VAL 83 -4.588 -3.656 -1.283 6 HG13 VAL 83 HG13 VAL 83 -3.743 -3.681 0.268 7 HG21 VAL 83 HG21 VAL 83 -5.184 -6.617 -1.606 8 HG22 VAL 83 HG22 VAL 83 -6.687 -6.549 -0.683 9 HG23 VAL 83 HG23 VAL 83 -6.276 -5.246 -1.800 No H/Q in entry = 9 In of MODEL 13 1 H ASN 84 H ASN 84 -6.200 -6.443 2.805 2 HA ASN 84 HA ASN 84 -7.095 -9.086 1.895 3 HB2 ASN 84 HB2 ASN 84 -7.338 -7.934 4.693 4 HB3 ASN 84 HB3 ASN 84 -7.761 -9.564 4.195 5 HD21 ASN 84 HD21 ASN 84 -5.076 -7.339 4.575 6 HD22 ASN 84 HD22 ASN 84 -3.869 -8.549 4.866 No H/Q in entry = 6 In of MODEL 13 1 H HIS 85 H HIS 85 -9.065 -9.052 0.960 2 HA HIS 85 HA HIS 85 -11.184 -7.745 2.429 3 HB2 HIS 85 HB2 HIS 85 -10.255 -6.275 0.430 4 HB3 HIS 85 HB3 HIS 85 -11.199 -7.400 -0.544 5 HD2 HIS 85 HD2 HIS 85 -11.847 -4.864 2.405 6 HE1 HIS 85 HE1 HIS 85 -15.390 -5.432 0.154 7 HE2 HIS 85 HE2 HIS 85 -14.355 -4.227 2.131 No H/Q in entry = 7 In of MODEL 13 1 H VAL 86 H VAL 86 -13.276 -8.587 1.741 2 HA VAL 86 HA VAL 86 -13.137 -11.403 1.689 3 HB VAL 86 HB VAL 86 -15.570 -11.382 1.682 4 HG11 VAL 86 HG11 VAL 86 -14.383 -9.237 3.434 5 HG12 VAL 86 HG12 VAL 86 -15.945 -10.011 3.692 6 HG13 VAL 86 HG13 VAL 86 -14.464 -10.962 3.791 7 HG21 VAL 86 HG21 VAL 86 -15.867 -9.581 0.022 8 HG22 VAL 86 HG22 VAL 86 -16.854 -9.344 1.465 9 HG23 VAL 86 HG23 VAL 86 -15.379 -8.403 1.242 No H/Q in entry = 9 In of MODEL 13 1 H THR 87 H THR 87 -13.285 -9.087 -0.844 2 HA THR 87 HA THR 87 -14.658 -10.695 -2.747 3 HB THR 87 HB THR 87 -14.045 -9.005 -4.360 4 HG1 THR 87 HG1 THR 87 -11.925 -8.556 -3.985 5 HG21 THR 87 HG21 THR 87 -15.657 -8.475 -2.427 6 HG22 THR 87 HG22 THR 87 -14.357 -7.446 -1.820 7 HG23 THR 87 HG23 THR 87 -15.060 -7.137 -3.410 No H/Q in entry = 7 In of MODEL 13 1 H LEU 88 H LEU 88 -11.292 -10.001 -2.034 2 HA LEU 88 HA LEU 88 -10.273 -11.349 -4.323 3 HB2 LEU 88 HB2 LEU 88 -8.923 -10.540 -1.735 4 HB3 LEU 88 HB3 LEU 88 -8.076 -11.165 -3.137 5 HG LEU 88 HG LEU 88 -9.563 -8.548 -2.922 6 HD11 LEU 88 HD11 LEU 88 -6.652 -9.205 -3.416 7 HD12 LEU 88 HD12 LEU 88 -7.359 -7.584 -3.463 8 HD13 LEU 88 HD13 LEU 88 -7.340 -8.499 -1.943 9 HD21 LEU 88 HD21 LEU 88 -8.334 -9.858 -5.343 10 HD22 LEU 88 HD22 LEU 88 -10.040 -9.474 -5.095 11 HD23 LEU 88 HD23 LEU 88 -8.855 -8.175 -5.265 No H/Q in entry = 11 In of MODEL 13 1 H SER 89 H SER 89 -10.067 -13.470 -4.599 2 HA SER 89 HA SER 89 -11.003 -15.399 -2.822 3 HB2 SER 89 HB2 SER 89 -9.681 -16.992 -4.344 4 HB3 SER 89 HB3 SER 89 -10.897 -15.973 -5.118 5 HG SER 89 HG SER 89 -8.353 -16.151 -5.742 No H/Q in entry = 5 In of MODEL 13 1 H GLN 90 H GLN 90 -7.979 -13.855 -3.085 2 HA GLN 90 HA GLN 90 -7.046 -15.004 -0.606 3 HB2 GLN 90 HB2 GLN 90 -4.780 -15.520 -1.669 4 HB3 GLN 90 HB3 GLN 90 -6.045 -16.606 -2.250 5 HG2 GLN 90 HG2 GLN 90 -6.284 -15.200 -4.263 6 HG3 GLN 90 HG3 GLN 90 -4.941 -14.200 -3.714 7 HE21 GLN 90 HE21 GLN 90 -5.201 -15.768 -6.122 8 HE22 GLN 90 HE22 GLN 90 -3.887 -16.901 -6.113 No H/Q in entry = 8 In of MODEL 13 1 HA PRO 91 HA PRO 91 -5.961 -10.627 -0.097 2 HB2 PRO 91 HB2 PRO 91 -3.641 -12.021 1.234 3 HB3 PRO 91 HB3 PRO 91 -4.497 -10.543 1.727 4 HG2 PRO 91 HG2 PRO 91 -5.115 -12.801 2.914 5 HG3 PRO 91 HG3 PRO 91 -6.420 -11.717 2.363 6 HD2 PRO 91 HD2 PRO 91 -5.443 -14.304 1.180 7 HD3 PRO 91 HD3 PRO 91 -7.111 -13.655 1.235 No H/Q in entry = 7 In of MODEL 13 1 H LYS 92 H LYS 92 -4.427 -9.194 -0.977 2 HA LYS 92 HA LYS 92 -3.152 -10.492 -3.279 3 HB2 LYS 92 HB2 LYS 92 -5.136 -9.044 -3.749 4 HB3 LYS 92 HB3 LYS 92 -4.222 -7.678 -3.124 5 HG2 LYS 92 HG2 LYS 92 -4.086 -7.708 -5.526 6 HG3 LYS 92 HG3 LYS 92 -2.501 -8.087 -4.827 7 HD2 LYS 92 HD2 LYS 92 -2.817 -9.639 -6.574 8 HD3 LYS 92 HD3 LYS 92 -3.121 -10.511 -5.070 9 HE2 LYS 92 HE2 LYS 92 -5.559 -10.120 -5.420 10 HE3 LYS 92 HE3 LYS 92 -5.172 -9.447 -7.004 11 HZ1 LYS 92 HZ1 LYS 92 -4.130 -11.583 -7.574 12 HZ2 LYS 92 HZ2 LYS 92 -4.618 -12.212 -6.077 13 HZ3 LYS 92 HZ3 LYS 92 -5.785 -11.747 -7.218 No H/Q in entry = 13 In of MODEL 13 1 H ILE 93 H ILE 93 -1.047 -10.238 -3.540 2 HA ILE 93 HA ILE 93 0.274 -8.062 -2.067 3 HB ILE 93 HB ILE 93 1.429 -10.700 -2.956 4 HG12 ILE 93 HG12 ILE 93 1.983 -10.750 -0.406 5 HG13 ILE 93 HG13 ILE 93 0.712 -9.548 -0.276 6 HG21 ILE 93 HG21 ILE 93 3.030 -8.876 -3.291 7 HG22 ILE 93 HG22 ILE 93 2.842 -8.419 -1.597 8 HG23 ILE 93 HG23 ILE 93 3.543 -9.982 -2.014 9 HD11 ILE 93 HD11 ILE 93 0.400 -12.318 -1.404 10 HD12 ILE 93 HD12 ILE 93 -0.098 -11.787 0.202 11 HD13 ILE 93 HD13 ILE 93 -0.878 -11.117 -1.230 No H/Q in entry = 11 In of MODEL 13 1 H VAL 94 H VAL 94 1.198 -6.553 -3.199 2 HA VAL 94 HA VAL 94 2.149 -7.140 -5.914 3 HB VAL 94 HB VAL 94 0.836 -4.576 -4.973 4 HG11 VAL 94 HG11 VAL 94 2.770 -4.101 -6.410 5 HG12 VAL 94 HG12 VAL 94 2.109 -5.175 -7.643 6 HG13 VAL 94 HG13 VAL 94 1.249 -3.700 -7.205 7 HG21 VAL 94 HG21 VAL 94 -0.715 -6.379 -5.562 8 HG22 VAL 94 HG22 VAL 94 -0.799 -5.045 -6.712 9 HG23 VAL 94 HG23 VAL 94 0.060 -6.524 -7.139 No H/Q in entry = 9 In of MODEL 13 1 H LYS 95 H LYS 95 4.227 -6.617 -6.230 2 HA LYS 95 HA LYS 95 5.673 -5.785 -3.862 3 HB2 LYS 95 HB2 LYS 95 7.339 -7.066 -4.642 4 HB3 LYS 95 HB3 LYS 95 6.199 -7.623 -5.851 5 HG2 LYS 95 HG2 LYS 95 7.109 -6.278 -7.501 6 HG3 LYS 95 HG3 LYS 95 7.875 -5.193 -6.329 7 HD2 LYS 95 HD2 LYS 95 9.108 -7.378 -5.591 8 HD3 LYS 95 HD3 LYS 95 8.704 -7.907 -7.220 9 HE2 LYS 95 HE2 LYS 95 10.966 -6.675 -6.672 10 HE3 LYS 95 HE3 LYS 95 10.124 -6.417 -8.204 11 HZ1 LYS 95 HZ1 LYS 95 9.078 -4.436 -7.101 12 HZ2 LYS 95 HZ2 LYS 95 10.155 -4.653 -5.809 13 HZ3 LYS 95 HZ3 LYS 95 10.742 -4.308 -7.363 No H/Q in entry = 13 In of MODEL 13 1 H TRP 96 H TRP 96 7.064 -4.029 -3.777 2 HA TRP 96 HA TRP 96 5.957 -1.715 -4.994 3 HB2 TRP 96 HB2 TRP 96 6.910 -1.597 -2.756 4 HB3 TRP 96 HB3 TRP 96 8.496 -2.087 -3.354 5 HD1 TRP 96 HD1 TRP 96 6.024 0.837 -4.088 6 HE1 TRP 96 HE1 TRP 96 7.402 2.991 -4.276 7 HE3 TRP 96 HE3 TRP 96 10.687 -1.128 -3.406 8 HZ2 TRP 96 HZ2 TRP 96 10.107 3.770 -4.139 9 HZ3 TRP 96 HZ3 TRP 96 12.626 0.382 -3.454 10 HH2 TRP 96 HH2 TRP 96 12.335 2.800 -3.824 No H/Q in entry = 10 In of MODEL 13 1 H ASP 97 H ASP 97 6.251 -1.122 -7.017 2 HA ASP 97 HA ASP 97 8.877 -1.609 -8.241 3 HB2 ASP 97 HB2 ASP 97 7.847 -1.360 -10.427 4 HB3 ASP 97 HB3 ASP 97 6.981 -2.590 -9.503 No H/Q in entry = 4 In of MODEL 13 1 H ARG 98 H ARG 98 10.154 -0.024 -8.607 2 HA ARG 98 HA ARG 98 9.244 2.684 -8.088 3 HB2 ARG 98 HB2 ARG 98 11.621 3.243 -8.042 4 HB3 ARG 98 HB3 ARG 98 11.271 1.919 -6.967 5 HG2 ARG 98 HG2 ARG 98 12.759 0.614 -7.923 6 HG3 ARG 98 HG3 ARG 98 12.006 0.828 -9.502 7 HD2 ARG 98 HD2 ARG 98 13.559 3.158 -8.906 8 HD3 ARG 98 HD3 ARG 98 14.545 1.735 -8.579 9 HE ARG 98 HE ARG 98 13.251 1.494 -11.079 10 HH11 ARG 98 HH11 ARG 98 15.905 3.136 -9.482 11 HH12 ARG 98 HH12 ARG 98 16.764 3.452 -10.960 12 HH21 ARG 98 HH21 ARG 98 14.396 1.913 -13.039 13 HH22 ARG 98 HH22 ARG 98 15.907 2.776 -12.972 No H/Q in entry = 13 In of MODEL 13 1 H ASP 99 H ASP 99 10.712 0.762 -10.605 2 HA ASP 99 HA ASP 99 9.637 2.552 -12.633 3 HB2 ASP 99 HB2 ASP 99 11.832 3.503 -12.218 4 HB3 ASP 99 HB3 ASP 99 12.574 1.914 -12.352 No H/Q in entry = 4 In of MODEL 13 1 H MET 100 H MET 100 10.272 -0.490 -11.492 2 HA MET 100 HA MET 100 10.405 -1.695 -14.178 3 HB2 MET 100 HB2 MET 100 11.336 -3.083 -11.672 4 HB3 MET 100 HB3 MET 100 11.784 -3.405 -13.345 5 HG2 MET 100 HG2 MET 100 13.130 -1.446 -13.440 6 HG3 MET 100 HG3 MET 100 12.521 -0.899 -11.870 7 HE1 MET 100 HE1 MET 100 15.651 -1.130 -12.710 8 HE2 MET 100 HE2 MET 100 15.106 -0.514 -11.150 9 HE3 MET 100 HE3 MET 100 16.329 -1.784 -11.219 No H/Q in entry = 9 In of MODEL 14 1 HA ILE 2 HA ILE 2 -21.961 -9.381 -4.929 2 HB ILE 2 HB ILE 2 -22.465 -10.059 -2.457 3 HG12 ILE 2 HG12 ILE 2 -21.769 -12.512 -2.125 4 HG13 ILE 2 HG13 ILE 2 -20.522 -12.206 -3.324 5 HG21 ILE 2 HG21 ILE 2 -22.814 -11.945 -4.775 6 HG22 ILE 2 HG22 ILE 2 -23.727 -12.006 -3.267 7 HG23 ILE 2 HG23 ILE 2 -23.875 -10.607 -4.331 8 HD11 ILE 2 HD11 ILE 2 -19.599 -10.445 -1.886 9 HD12 ILE 2 HD12 ILE 2 -20.835 -10.804 -0.679 10 HD13 ILE 2 HD13 ILE 2 -19.626 -12.020 -1.093 No H/Q in entry = 10 In of MODEL 14 1 H GLN 3 H GLN 3 -19.817 -7.946 -5.153 2 HA GLN 3 HA GLN 3 -19.704 -5.942 -3.301 3 HB2 GLN 3 HB2 GLN 3 -18.964 -7.694 -1.669 4 HB3 GLN 3 HB3 GLN 3 -17.588 -8.043 -2.688 5 HG2 GLN 3 HG2 GLN 3 -16.931 -6.693 -0.796 6 HG3 GLN 3 HG3 GLN 3 -16.719 -5.788 -2.294 7 HE21 GLN 3 HE21 GLN 3 -18.523 -6.074 0.655 8 HE22 GLN 3 HE22 GLN 3 -19.311 -4.540 0.557 No H/Q in entry = 8 In of MODEL 14 1 H ARG 4 H ARG 4 -17.216 -4.891 -3.458 2 HA ARG 4 HA ARG 4 -16.582 -5.131 -6.323 3 HB2 ARG 4 HB2 ARG 4 -17.778 -3.034 -5.927 4 HB3 ARG 4 HB3 ARG 4 -16.679 -2.628 -4.613 5 HG2 ARG 4 HG2 ARG 4 -14.911 -2.112 -6.047 6 HG3 ARG 4 HG3 ARG 4 -15.602 -3.038 -7.392 7 HD2 ARG 4 HD2 ARG 4 -15.747 -0.615 -7.761 8 HD3 ARG 4 HD3 ARG 4 -17.350 -1.347 -7.672 9 HE ARG 4 HE ARG 4 -16.955 -0.531 -5.142 10 HH11 ARG 4 HH11 ARG 4 -16.604 1.091 -8.224 11 HH12 ARG 4 HH12 ARG 4 -16.868 2.683 -7.562 12 HH21 ARG 4 HH21 ARG 4 -17.320 1.567 -4.270 13 HH22 ARG 4 HH22 ARG 4 -17.286 2.943 -5.326 No H/Q in entry = 13 In of MODEL 14 1 H THR 5 H THR 5 -14.425 -5.187 -6.866 2 HA THR 5 HA THR 5 -12.705 -6.079 -4.766 3 HB THR 5 HB THR 5 -11.149 -6.717 -6.463 4 HG1 THR 5 HG1 THR 5 -11.823 -4.513 -7.639 5 HG21 THR 5 HG21 THR 5 -14.005 -7.058 -7.364 6 HG22 THR 5 HG22 THR 5 -12.646 -7.830 -8.183 7 HG23 THR 5 HG23 THR 5 -12.984 -8.204 -6.498 No H/Q in entry = 7 In of MODEL 14 1 HA PRO 6 HA PRO 6 -10.649 -2.076 -4.253 2 HB2 PRO 6 HB2 PRO 6 -8.948 -3.411 -2.319 3 HB3 PRO 6 HB3 PRO 6 -10.152 -2.152 -2.040 4 HG2 PRO 6 HG2 PRO 6 -10.418 -4.756 -1.194 5 HG3 PRO 6 HG3 PRO 6 -11.783 -3.654 -1.489 6 HD2 PRO 6 HD2 PRO 6 -10.708 -5.869 -3.196 7 HD3 PRO 6 HD3 PRO 6 -12.381 -5.305 -2.972 No H/Q in entry = 7 In of MODEL 14 1 H LYS 7 H LYS 7 -9.012 -1.457 -5.539 2 HA LYS 7 HA LYS 7 -7.265 -3.567 -6.579 3 HB2 LYS 7 HB2 LYS 7 -8.650 -2.155 -8.142 4 HB3 LYS 7 HB3 LYS 7 -7.686 -0.769 -7.657 5 HG2 LYS 7 HG2 LYS 7 -5.680 -1.855 -8.529 6 HG3 LYS 7 HG3 LYS 7 -6.649 -3.248 -9.014 7 HD2 LYS 7 HD2 LYS 7 -7.994 -1.745 -10.458 8 HD3 LYS 7 HD3 LYS 7 -6.900 -0.424 -10.044 9 HE2 LYS 7 HE2 LYS 7 -5.030 -1.683 -10.990 10 HE3 LYS 7 HE3 LYS 7 -6.129 -2.998 -11.407 11 HZ1 LYS 7 HZ1 LYS 7 -7.373 -1.355 -12.784 12 HZ2 LYS 7 HZ2 LYS 7 -6.121 -0.243 -12.508 13 HZ3 LYS 7 HZ3 LYS 7 -5.804 -1.687 -13.340 No H/Q in entry = 13 In of MODEL 14 1 H ILE 8 H ILE 8 -4.996 -3.192 -6.821 2 HA ILE 8 HA ILE 8 -3.991 -1.770 -4.488 3 HB ILE 8 HB ILE 8 -2.216 -3.403 -6.243 4 HG12 ILE 8 HG12 ILE 8 -4.189 -4.820 -6.014 5 HG13 ILE 8 HG13 ILE 8 -2.871 -5.457 -5.040 6 HG21 ILE 8 HG21 ILE 8 -1.281 -2.202 -4.343 7 HG22 ILE 8 HG22 ILE 8 -2.412 -3.010 -3.257 8 HG23 ILE 8 HG23 ILE 8 -1.170 -3.944 -4.089 9 HD11 ILE 8 HD11 ILE 8 -3.882 -4.478 -3.050 10 HD12 ILE 8 HD12 ILE 8 -5.214 -3.869 -4.033 11 HD13 ILE 8 HD13 ILE 8 -4.968 -5.609 -3.859 No H/Q in entry = 11 In of MODEL 14 1 H GLN 9 H GLN 9 -2.916 0.049 -4.608 2 HA GLN 9 HA GLN 9 -1.311 0.621 -6.996 3 HB2 GLN 9 HB2 GLN 9 -3.159 2.512 -5.535 4 HB3 GLN 9 HB3 GLN 9 -1.897 3.062 -6.646 5 HG2 GLN 9 HG2 GLN 9 -2.981 2.043 -8.492 6 HG3 GLN 9 HG3 GLN 9 -4.101 1.175 -7.442 7 HE21 GLN 9 HE21 GLN 9 -4.507 3.459 -5.696 8 HE22 GLN 9 HE22 GLN 9 -5.529 4.555 -6.565 No H/Q in entry = 8 In of MODEL 14 1 H VAL 10 H VAL 10 0.755 0.713 -6.332 2 HA VAL 10 HA VAL 10 1.331 2.111 -3.828 3 HB VAL 10 HB VAL 10 1.517 -0.090 -3.032 4 HG11 VAL 10 HG11 VAL 10 1.335 -1.195 -5.234 5 HG12 VAL 10 HG12 VAL 10 3.053 -0.895 -5.492 6 HG13 VAL 10 HG13 VAL 10 2.527 -1.938 -4.167 7 HG21 VAL 10 HG21 VAL 10 4.274 0.708 -3.949 8 HG22 VAL 10 HG22 VAL 10 3.478 1.200 -2.455 9 HG23 VAL 10 HG23 VAL 10 3.923 -0.490 -2.703 No H/Q in entry = 9 In of MODEL 14 1 H TYR 11 H TYR 11 2.904 3.536 -3.983 2 HA TYR 11 HA TYR 11 5.024 3.278 -5.912 3 HB2 TYR 11 HB2 TYR 11 4.532 5.464 -7.023 4 HB3 TYR 11 HB3 TYR 11 3.355 4.210 -7.393 5 HD1 TYR 11 HD1 TYR 11 1.068 4.400 -6.658 6 HD2 TYR 11 HD2 TYR 11 3.921 7.377 -5.615 7 HE1 TYR 11 HE1 TYR 11 -0.756 5.897 -5.976 8 HE2 TYR 11 HE2 TYR 11 2.104 8.885 -4.926 9 HH TYR 11 HH TYR 11 -1.016 7.876 -4.388 No H/Q in entry = 9 In of MODEL 14 1 H SER 12 H SER 12 6.569 5.096 -5.741 2 HA SER 12 HA SER 12 7.046 5.706 -2.994 3 HB2 SER 12 HB2 SER 12 8.934 7.080 -4.457 4 HB3 SER 12 HB3 SER 12 9.070 5.353 -4.082 5 HG SER 12 HG SER 12 9.031 6.396 -6.442 No H/Q in entry = 5 In of MODEL 14 1 H ARG 13 H ARG 13 6.724 7.601 -1.902 2 HA ARG 13 HA ARG 13 5.061 9.625 -3.004 3 HB2 ARG 13 HB2 ARG 13 5.380 9.025 -0.529 4 HB3 ARG 13 HB3 ARG 13 6.893 9.901 -0.602 5 HG2 ARG 13 HG2 ARG 13 4.280 11.258 -1.229 6 HG3 ARG 13 HG3 ARG 13 4.884 11.077 0.410 7 HD2 ARG 13 HD2 ARG 13 6.352 12.434 -1.844 8 HD3 ARG 13 HD3 ARG 13 5.462 13.248 -0.561 9 HE ARG 13 HE ARG 13 7.911 11.658 -0.163 10 HH11 ARG 13 HH11 ARG 13 5.699 14.184 0.860 11 HH12 ARG 13 HH12 ARG 13 6.753 14.746 2.129 12 HH21 ARG 13 HH21 ARG 13 9.286 12.410 1.494 13 HH22 ARG 13 HH22 ARG 13 8.775 13.752 2.478 No H/Q in entry = 13 In of MODEL 14 1 H HIS 14 H HIS 14 8.537 9.567 -2.332 2 HA HIS 14 HA HIS 14 8.857 11.667 -4.355 3 HB2 HIS 14 HB2 HIS 14 10.220 11.299 -1.714 4 HB3 HIS 14 HB3 HIS 14 11.139 12.021 -3.034 5 HD2 HIS 14 HD2 HIS 14 7.926 13.464 -3.813 6 HE1 HIS 14 HE1 HIS 14 9.327 15.882 -0.639 7 HE2 HIS 14 HE2 HIS 14 7.800 15.781 -2.658 No H/Q in entry = 7 In of MODEL 14 1 HA PRO 15 HA PRO 15 11.577 9.123 -6.764 2 HB2 PRO 15 HB2 PRO 15 14.179 10.083 -6.424 3 HB3 PRO 15 HB3 PRO 15 13.011 10.649 -7.632 4 HG2 PRO 15 HG2 PRO 15 13.738 11.868 -4.973 5 HG3 PRO 15 HG3 PRO 15 13.303 12.670 -6.520 6 HD2 PRO 15 HD2 PRO 15 11.549 12.483 -4.468 7 HD3 PRO 15 HD3 PRO 15 11.016 12.370 -6.171 No H/Q in entry = 7 In of MODEL 14 1 H ALA 16 H ALA 16 12.615 7.216 -6.590 2 HA ALA 16 HA ALA 16 13.254 6.255 -3.959 3 HB1 ALA 16 HB1 ALA 16 12.089 4.825 -5.557 4 HB2 ALA 16 HB2 ALA 16 13.477 4.893 -6.639 5 HB3 ALA 16 HB3 ALA 16 13.622 4.107 -5.069 No H/Q in entry = 5 In of MODEL 14 1 H GLU 17 H GLU 17 15.172 6.806 -3.087 2 HA GLU 17 HA GLU 17 17.535 6.504 -4.796 3 HB2 GLU 17 HB2 GLU 17 16.890 8.731 -3.440 4 HB3 GLU 17 HB3 GLU 17 17.725 7.879 -2.152 5 HG2 GLU 17 HG2 GLU 17 18.947 8.388 -4.845 6 HG3 GLU 17 HG3 GLU 17 19.095 9.509 -3.512 No H/Q in entry = 6 In of MODEL 14 1 H ASN 18 H ASN 18 18.782 4.900 -4.395 2 HA ASN 18 HA ASN 18 18.029 3.050 -2.280 3 HB2 ASN 18 HB2 ASN 18 20.121 2.730 -4.460 4 HB3 ASN 18 HB3 ASN 18 19.713 1.511 -3.270 5 HD21 ASN 18 HD21 ASN 18 19.679 1.133 -6.038 6 HD22 ASN 18 HD22 ASN 18 18.055 0.723 -6.517 No H/Q in entry = 6 In of MODEL 14 1 H GLY 19 H GLY 19 18.936 3.039 -0.350 2 HA2 GLY 19 HA2 GLY 19 21.642 4.091 -0.017 3 HA3 GLY 19 HA3 GLY 19 20.645 3.325 1.232 No H/Q in entry = 3 In of MODEL 14 1 H LYS 20 H LYS 20 18.341 5.023 0.326 2 HA LYS 20 HA LYS 20 19.060 7.438 1.824 3 HB2 LYS 20 HB2 LYS 20 18.701 7.433 -0.935 4 HB3 LYS 20 HB3 LYS 20 17.136 7.931 -0.310 5 HG2 LYS 20 HG2 LYS 20 18.411 9.885 -0.748 6 HG3 LYS 20 HG3 LYS 20 18.292 9.702 1.004 7 HD2 LYS 20 HD2 LYS 20 20.537 8.420 0.722 8 HD3 LYS 20 HD3 LYS 20 20.647 9.289 -0.799 9 HE2 LYS 20 HE2 LYS 20 21.851 10.527 0.891 10 HE3 LYS 20 HE3 LYS 20 20.400 11.430 0.454 11 HZ1 LYS 20 HZ1 LYS 20 20.703 9.698 2.853 12 HZ2 LYS 20 HZ2 LYS 20 20.749 11.395 2.843 13 HZ3 LYS 20 HZ3 LYS 20 19.320 10.583 2.436 No H/Q in entry = 13 In of MODEL 14 1 H SER 21 H SER 21 17.310 8.443 2.819 2 HA SER 21 HA SER 21 15.181 6.611 3.542 3 HB2 SER 21 HB2 SER 21 15.835 9.403 4.461 4 HB3 SER 21 HB3 SER 21 14.583 8.384 5.164 5 HG SER 21 HG SER 21 16.993 7.121 5.007 No H/Q in entry = 5 In of MODEL 14 1 H ASN 22 H ASN 22 13.100 6.774 2.979 2 HA ASN 22 HA ASN 22 12.106 9.109 1.540 3 HB2 ASN 22 HB2 ASN 22 13.202 7.360 -0.108 4 HB3 ASN 22 HB3 ASN 22 11.778 6.395 0.248 5 HD21 ASN 22 HD21 ASN 22 11.226 6.562 -1.973 6 HD22 ASN 22 HD22 ASN 22 10.497 7.993 -2.610 No H/Q in entry = 6 In of MODEL 14 1 H PHE 23 H PHE 23 9.704 8.537 0.852 2 HA PHE 23 HA PHE 23 8.481 7.099 3.112 3 HB2 PHE 23 HB2 PHE 23 7.523 9.577 1.669 4 HB3 PHE 23 HB3 PHE 23 6.521 8.649 2.764 5 HD1 PHE 23 HD1 PHE 23 10.081 9.742 3.068 6 HD2 PHE 23 HD2 PHE 23 6.106 10.004 4.562 7 HE1 PHE 23 HE1 PHE 23 10.876 11.136 4.928 8 HE2 PHE 23 HE2 PHE 23 6.897 11.398 6.432 9 HZ PHE 23 HZ PHE 23 9.288 11.960 6.617 No H/Q in entry = 9 In of MODEL 14 1 H LEU 24 H LEU 24 7.311 5.396 2.536 2 HA LEU 24 HA LEU 24 6.786 4.786 -0.239 3 HB2 LEU 24 HB2 LEU 24 7.121 3.357 2.103 4 HB3 LEU 24 HB3 LEU 24 5.418 3.150 1.750 5 HG LEU 24 HG LEU 24 7.777 2.323 0.035 6 HD11 LEU 24 HD11 LEU 24 7.251 0.855 1.901 7 HD12 LEU 24 HD12 LEU 24 5.569 0.765 1.384 8 HD13 LEU 24 HD13 LEU 24 6.842 0.084 0.369 9 HD21 LEU 24 HD21 LEU 24 4.837 2.283 -0.645 10 HD22 LEU 24 HD22 LEU 24 6.138 3.093 -1.521 11 HD23 LEU 24 HD23 LEU 24 6.066 1.335 -1.484 No H/Q in entry = 11 In of MODEL 14 1 H ASN 25 H ASN 25 4.616 4.252 -1.000 2 HA ASN 25 HA ASN 25 2.421 5.332 0.590 3 HB2 ASN 25 HB2 ASN 25 2.966 7.200 -0.807 4 HB3 ASN 25 HB3 ASN 25 3.098 6.178 -2.235 5 HD21 ASN 25 HD21 ASN 25 1.006 7.859 -0.090 6 HD22 ASN 25 HD22 ASN 25 -0.450 7.639 -1.002 No H/Q in entry = 6 In of MODEL 14 1 H CYS 26 H CYS 26 0.693 4.043 0.568 2 HA CYS 26 HA CYS 26 0.288 2.216 -1.694 3 HB2 CYS 26 HB2 CYS 26 1.342 1.203 0.475 4 HB3 CYS 26 HB3 CYS 26 -0.314 1.299 1.090 No H/Q in entry = 4 In of MODEL 14 1 H TYR 27 H TYR 27 -1.662 2.427 -2.530 2 HA TYR 27 HA TYR 27 -3.750 3.809 -0.954 3 HB2 TYR 27 HB2 TYR 27 -2.574 4.441 -3.579 4 HB3 TYR 27 HB3 TYR 27 -4.326 4.388 -3.589 5 HD1 TYR 27 HD1 TYR 27 -5.610 5.986 -2.130 6 HD2 TYR 27 HD2 TYR 27 -1.396 6.273 -2.632 7 HE1 TYR 27 HE1 TYR 27 -5.686 8.334 -1.405 8 HE2 TYR 27 HE2 TYR 27 -1.465 8.613 -1.892 9 HH TYR 27 HH TYR 27 -4.190 10.018 -0.431 No H/Q in entry = 9 In of MODEL 14 1 H VAL 28 H VAL 28 -5.097 2.101 -0.503 2 HA VAL 28 HA VAL 28 -5.921 0.441 -2.790 3 HB VAL 28 HB VAL 28 -6.524 -0.238 0.077 4 HG11 VAL 28 HG11 VAL 28 -6.254 -1.849 -2.451 5 HG12 VAL 28 HG12 VAL 28 -6.572 -2.526 -0.854 6 HG13 VAL 28 HG13 VAL 28 -7.751 -1.454 -1.604 7 HG21 VAL 28 HG21 VAL 28 -4.016 -0.928 -1.452 8 HG22 VAL 28 HG22 VAL 28 -4.125 0.021 0.034 9 HG23 VAL 28 HG23 VAL 28 -4.520 -1.701 0.053 No H/Q in entry = 9 In of MODEL 14 1 H SER 29 H SER 29 -7.839 0.950 -3.640 2 HA SER 29 HA SER 29 -9.995 1.891 -1.940 3 HB2 SER 29 HB2 SER 29 -8.493 3.868 -2.620 4 HB3 SER 29 HB3 SER 29 -9.170 3.647 -4.229 5 HG SER 29 HG SER 29 -10.560 4.262 -1.831 No H/Q in entry = 5 In of MODEL 14 1 H GLY 30 H GLY 30 -11.841 2.725 -3.542 2 HA2 GLY 30 HA2 GLY 30 -12.057 1.053 -5.915 3 HA3 GLY 30 HA3 GLY 30 -13.185 2.304 -5.408 No H/Q in entry = 3 In of MODEL 14 1 H PHE 31 H PHE 31 -13.091 1.102 -2.633 2 HA PHE 31 HA PHE 31 -14.745 -1.273 -3.191 3 HB2 PHE 31 HB2 PHE 31 -13.780 -2.352 -1.228 4 HB3 PHE 31 HB3 PHE 31 -12.498 -1.864 -2.355 5 HD1 PHE 31 HD1 PHE 31 -10.983 -0.053 -1.804 6 HD2 PHE 31 HD2 PHE 31 -14.018 -1.270 0.917 7 HE1 PHE 31 HE1 PHE 31 -9.866 1.190 -0.003 8 HE2 PHE 31 HE2 PHE 31 -12.899 -0.032 2.721 9 HZ PHE 31 HZ PHE 31 -10.825 1.203 2.263 No H/Q in entry = 9 In of MODEL 14 1 H HIS 32 H HIS 32 -15.613 -2.008 -0.860 2 HA HIS 32 HA HIS 32 -16.684 0.154 0.736 3 HB2 HIS 32 HB2 HIS 32 -18.420 -1.127 -1.296 4 HB3 HIS 32 HB3 HIS 32 -19.047 -1.287 0.342 5 HD2 HIS 32 HD2 HIS 32 -17.593 1.813 -1.666 6 HE1 HIS 32 HE1 HIS 32 -21.130 2.878 0.396 7 HE2 HIS 32 HE2 HIS 32 -19.168 3.742 -0.950 No H/Q in entry = 7 In of MODEL 14 1 HA PRO 33 HA PRO 33 -18.977 -0.327 2.324 2 HB2 PRO 33 HB2 PRO 33 -18.049 -0.382 5.120 3 HB3 PRO 33 HB3 PRO 33 -19.684 -0.544 4.470 4 HG2 PRO 33 HG2 PRO 33 -18.380 -2.643 5.497 5 HG3 PRO 33 HG3 PRO 33 -19.447 -2.815 4.090 6 HD2 PRO 33 HD2 PRO 33 -16.455 -2.662 4.197 7 HD3 PRO 33 HD3 PRO 33 -17.494 -3.725 3.220 No H/Q in entry = 7 In of MODEL 14 1 H SER 34 H SER 34 -16.217 0.122 4.670 2 HA SER 34 HA SER 34 -15.260 2.326 3.078 3 HB2 SER 34 HB2 SER 34 -15.469 3.937 4.923 4 HB3 SER 34 HB3 SER 34 -17.061 3.329 4.468 5 HG SER 34 HG SER 34 -16.707 1.748 6.242 No H/Q in entry = 5 In of MODEL 14 1 H ASP 35 H ASP 35 -14.447 -0.364 4.144 2 HA ASP 35 HA ASP 35 -12.037 0.424 5.591 3 HB2 ASP 35 HB2 ASP 35 -12.410 -1.201 7.388 4 HB3 ASP 35 HB3 ASP 35 -13.763 -0.070 7.345 No H/Q in entry = 4 In of MODEL 14 1 H ILE 36 H ILE 36 -10.318 -0.721 5.053 2 HA ILE 36 HA ILE 36 -10.525 -3.523 4.282 3 HB ILE 36 HB ILE 36 -10.468 -2.095 2.126 4 HG12 ILE 36 HG12 ILE 36 -8.578 -4.311 2.838 5 HG13 ILE 36 HG13 ILE 36 -9.991 -4.353 1.794 6 HG21 ILE 36 HG21 ILE 36 -7.645 -1.683 3.102 7 HG22 ILE 36 HG22 ILE 36 -8.200 -1.333 1.463 8 HG23 ILE 36 HG23 ILE 36 -8.851 -0.426 2.825 9 HD11 ILE 36 HD11 ILE 36 -7.374 -3.031 1.108 10 HD12 ILE 36 HD12 ILE 36 -7.883 -4.626 0.561 11 HD13 ILE 36 HD13 ILE 36 -8.774 -3.191 0.050 No H/Q in entry = 11 In of MODEL 14 1 H GLU 37 H GLU 37 -8.460 -4.633 4.616 2 HA GLU 37 HA GLU 37 -6.615 -3.058 6.264 3 HB2 GLU 37 HB2 GLU 37 -7.821 -5.071 7.294 4 HB3 GLU 37 HB3 GLU 37 -6.841 -6.053 6.218 5 HG2 GLU 37 HG2 GLU 37 -5.960 -5.841 8.553 6 HG3 GLU 37 HG3 GLU 37 -4.825 -5.375 7.289 No H/Q in entry = 6 In of MODEL 14 1 H VAL 38 H VAL 38 -4.754 -2.645 5.381 2 HA VAL 38 HA VAL 38 -3.655 -4.505 3.421 3 HB VAL 38 HB VAL 38 -3.943 -3.067 1.755 4 HG11 VAL 38 HG11 VAL 38 -5.722 -2.012 2.967 5 HG12 VAL 38 HG12 VAL 38 -4.579 -0.938 3.774 6 HG13 VAL 38 HG13 VAL 38 -4.827 -0.812 2.030 7 HG21 VAL 38 HG21 VAL 38 -2.028 -1.276 3.252 8 HG22 VAL 38 HG22 VAL 38 -1.601 -2.526 2.089 9 HG23 VAL 38 HG23 VAL 38 -2.469 -1.084 1.552 No H/Q in entry = 9 In of MODEL 14 1 H ASP 39 H ASP 39 -1.567 -4.875 3.553 2 HA ASP 39 HA ASP 39 -0.111 -3.565 5.744 3 HB2 ASP 39 HB2 ASP 39 -0.087 -5.482 6.917 4 HB3 ASP 39 HB3 ASP 39 -1.115 -6.214 5.696 No H/Q in entry = 4 In of MODEL 14 1 H LEU 40 H LEU 40 2.083 -3.351 5.460 2 HA LEU 40 HA LEU 40 2.939 -3.620 2.677 3 HB2 LEU 40 HB2 LEU 40 4.292 -2.054 4.859 4 HB3 LEU 40 HB3 LEU 40 4.600 -1.952 3.139 5 HG LEU 40 HG LEU 40 2.150 -0.971 4.603 6 HD11 LEU 40 HD11 LEU 40 4.135 0.414 4.905 7 HD12 LEU 40 HD12 LEU 40 4.360 0.493 3.154 8 HD13 LEU 40 HD13 LEU 40 2.941 1.236 3.896 9 HD21 LEU 40 HD21 LEU 40 2.778 -0.951 1.657 10 HD22 LEU 40 HD22 LEU 40 1.434 -1.769 2.457 11 HD23 LEU 40 HD23 LEU 40 1.498 -0.003 2.420 No H/Q in entry = 11 In of MODEL 14 1 H LEU 41 H LEU 41 4.815 -4.681 2.135 2 HA LEU 41 HA LEU 41 5.919 -6.423 4.244 3 HB2 LEU 41 HB2 LEU 41 6.034 -7.138 1.376 4 HB3 LEU 41 HB3 LEU 41 6.130 -8.169 2.764 5 HG LEU 41 HG LEU 41 3.615 -6.785 1.958 6 HD11 LEU 41 HD11 LEU 41 4.564 -8.322 0.206 7 HD12 LEU 41 HD12 LEU 41 4.382 -9.634 1.369 8 HD13 LEU 41 HD13 LEU 41 2.961 -8.757 0.791 9 HD21 LEU 41 HD21 LEU 41 3.810 -7.545 4.314 10 HD22 LEU 41 HD22 LEU 41 2.543 -8.385 3.413 11 HD23 LEU 41 HD23 LEU 41 4.083 -9.184 3.719 No H/Q in entry = 11 In of MODEL 14 1 H LYS 42 H LYS 42 8.051 -7.166 3.889 2 HA LYS 42 HA LYS 42 9.625 -5.709 1.904 3 HB2 LYS 42 HB2 LYS 42 10.543 -6.537 4.644 4 HB3 LYS 42 HB3 LYS 42 11.493 -5.666 3.450 5 HG2 LYS 42 HG2 LYS 42 9.749 -3.799 3.611 6 HG3 LYS 42 HG3 LYS 42 9.081 -4.688 4.951 7 HD2 LYS 42 HD2 LYS 42 11.999 -3.805 4.898 8 HD3 LYS 42 HD3 LYS 42 10.686 -2.918 5.702 9 HE2 LYS 42 HE2 LYS 42 10.328 -4.653 7.248 10 HE3 LYS 42 HE3 LYS 42 11.249 -5.809 6.287 11 HZ1 LYS 42 HZ1 LYS 42 13.258 -4.545 6.776 12 HZ2 LYS 42 HZ2 LYS 42 12.364 -3.465 7.739 13 HZ3 LYS 42 HZ3 LYS 42 12.511 -5.095 8.193 No H/Q in entry = 13 In of MODEL 14 1 H ASN 43 H ASN 43 10.153 -7.116 0.506 2 HA ASN 43 HA ASN 43 10.829 -9.001 -0.587 3 HB2 ASN 43 HB2 ASN 43 12.503 -8.769 1.551 4 HB3 ASN 43 HB3 ASN 43 11.858 -10.386 1.797 5 HD21 ASN 43 HD21 ASN 43 14.544 -9.356 0.973 6 HD22 ASN 43 HD22 ASN 43 14.914 -10.239 -0.470 No H/Q in entry = 6 In of MODEL 14 1 H GLY 44 H GLY 44 8.919 -9.333 2.244 2 HA2 GLY 44 HA2 GLY 44 8.204 -12.093 1.797 3 HA3 GLY 44 HA3 GLY 44 6.959 -10.920 1.357 No H/Q in entry = 3 In of MODEL 14 1 H GLU 45 H GLU 45 8.774 -9.626 3.827 2 HA GLU 45 HA GLU 45 7.254 -10.982 5.932 3 HB2 GLU 45 HB2 GLU 45 9.703 -9.262 6.155 4 HB3 GLU 45 HB3 GLU 45 9.074 -10.376 7.363 5 HG2 GLU 45 HG2 GLU 45 10.065 -11.190 4.659 6 HG3 GLU 45 HG3 GLU 45 11.070 -11.145 6.084 No H/Q in entry = 6 In of MODEL 14 1 H ARG 46 H ARG 46 6.042 -9.816 7.407 2 HA ARG 46 HA ARG 46 5.002 -7.352 6.491 3 HB2 ARG 46 HB2 ARG 46 3.791 -9.142 7.878 4 HB3 ARG 46 HB3 ARG 46 4.643 -8.476 9.276 5 HG2 ARG 46 HG2 ARG 46 3.515 -6.399 9.083 6 HG3 ARG 46 HG3 ARG 46 2.902 -6.787 7.481 7 HD2 ARG 46 HD2 ARG 46 1.467 -8.570 8.500 8 HD3 ARG 46 HD3 ARG 46 2.044 -8.052 10.096 9 HE ARG 46 HE ARG 46 0.769 -6.083 8.345 10 HH11 ARG 46 HH11 ARG 46 0.625 -8.081 11.218 11 HH12 ARG 46 HH12 ARG 46 -0.779 -7.278 11.852 12 HH21 ARG 46 HH21 ARG 46 -1.106 -5.035 9.182 13 HH22 ARG 46 HH22 ARG 46 -1.752 -5.560 10.714 No H/Q in entry = 13 In of MODEL 14 1 H ILE 47 H ILE 47 5.505 -5.339 6.923 2 HA ILE 47 HA ILE 47 7.960 -4.654 8.041 3 HB ILE 47 HB ILE 47 5.599 -3.070 7.146 4 HG12 ILE 47 HG12 ILE 47 8.366 -3.550 6.067 5 HG13 ILE 47 HG13 ILE 47 6.883 -4.251 5.453 6 HG21 ILE 47 HG21 ILE 47 8.183 -1.986 8.218 7 HG22 ILE 47 HG22 ILE 47 7.069 -1.063 7.206 8 HG23 ILE 47 HG23 ILE 47 6.544 -1.660 8.782 9 HD11 ILE 47 HD11 ILE 47 6.211 -1.757 5.110 10 HD12 ILE 47 HD12 ILE 47 7.953 -1.506 5.149 11 HD13 ILE 47 HD13 ILE 47 7.240 -2.587 3.947 No H/Q in entry = 11 In of MODEL 14 1 H GLU 48 H GLU 48 4.954 -4.721 9.733 2 HA GLU 48 HA GLU 48 4.089 -3.989 11.688 3 HB2 GLU 48 HB2 GLU 48 6.663 -4.174 13.079 4 HB3 GLU 48 HB3 GLU 48 5.144 -4.974 13.399 5 HG2 GLU 48 HG2 GLU 48 6.740 -5.761 11.036 6 HG3 GLU 48 HG3 GLU 48 7.198 -6.323 12.635 No H/Q in entry = 6 In of MODEL 14 1 H LYS 49 H LYS 49 6.010 -1.920 10.146 2 HA LYS 49 HA LYS 49 5.884 0.042 12.338 3 HB2 LYS 49 HB2 LYS 49 7.705 0.732 10.170 4 HB3 LYS 49 HB3 LYS 49 7.987 0.718 11.911 5 HG2 LYS 49 HG2 LYS 49 7.904 -1.911 11.456 6 HG3 LYS 49 HG3 LYS 49 8.489 -1.387 9.896 7 HD2 LYS 49 HD2 LYS 49 10.362 -1.897 11.254 8 HD3 LYS 49 HD3 LYS 49 10.307 -0.144 11.077 9 HE2 LYS 49 HE2 LYS 49 9.299 0.074 13.271 10 HE3 LYS 49 HE3 LYS 49 9.229 -1.682 13.438 11 HZ1 LYS 49 HZ1 LYS 49 11.664 -1.720 13.325 12 HZ2 LYS 49 HZ2 LYS 49 11.691 -0.023 13.262 13 HZ3 LYS 49 HZ3 LYS 49 11.102 -0.814 14.646 No H/Q in entry = 13 In of MODEL 14 1 H VAL 50 H VAL 50 4.277 -0.834 9.765 2 HA VAL 50 HA VAL 50 3.989 1.529 8.233 3 HB VAL 50 HB VAL 50 2.210 -0.889 8.511 4 HG11 VAL 50 HG11 VAL 50 1.049 1.083 7.577 5 HG12 VAL 50 HG12 VAL 50 2.280 1.170 6.311 6 HG13 VAL 50 HG13 VAL 50 1.218 -0.235 6.409 7 HG21 VAL 50 HG21 VAL 50 4.429 -0.225 6.593 8 HG22 VAL 50 HG22 VAL 50 4.403 -1.513 7.796 9 HG23 VAL 50 HG23 VAL 50 3.322 -1.579 6.406 No H/Q in entry = 9 In of MODEL 14 1 H GLU 51 H GLU 51 2.511 3.146 8.330 2 HA GLU 51 HA GLU 51 0.442 3.012 10.420 3 HB2 GLU 51 HB2 GLU 51 2.070 5.453 9.687 4 HB3 GLU 51 HB3 GLU 51 0.746 5.409 10.844 5 HG2 GLU 51 HG2 GLU 51 2.036 3.885 12.252 6 HG3 GLU 51 HG3 GLU 51 3.372 3.965 11.100 No H/Q in entry = 6 In of MODEL 14 1 H HIS 52 H HIS 52 -1.498 3.962 9.927 2 HA HIS 52 HA HIS 52 -1.828 4.996 7.194 3 HB2 HIS 52 HB2 HIS 52 -4.240 4.370 7.421 4 HB3 HIS 52 HB3 HIS 52 -3.135 3.005 7.418 5 HD2 HIS 52 HD2 HIS 52 -2.625 2.041 10.183 6 HE1 HIS 52 HE1 HIS 52 -6.502 3.266 11.345 7 HE2 HIS 52 HE2 HIS 52 -4.428 1.988 12.045 No H/Q in entry = 7 In of MODEL 14 1 H SER 53 H SER 53 -2.602 6.960 6.892 2 HA SER 53 HA SER 53 -3.034 8.684 9.175 3 HB2 SER 53 HB2 SER 53 -2.915 9.162 6.188 4 HB3 SER 53 HB3 SER 53 -3.237 10.460 7.333 5 HG SER 53 HG SER 53 -1.034 10.390 6.907 No H/Q in entry = 5 In of MODEL 14 1 H ASP 54 H ASP 54 -4.813 10.509 8.507 2 HA ASP 54 HA ASP 54 -7.337 9.565 9.042 3 HB2 ASP 54 HB2 ASP 54 -6.599 12.005 7.399 4 HB3 ASP 54 HB3 ASP 54 -8.182 11.728 8.113 No H/Q in entry = 4 In of MODEL 14 1 H LEU 55 H LEU 55 -8.659 8.263 7.980 2 HA LEU 55 HA LEU 55 -8.432 6.970 5.684 3 HB2 LEU 55 HB2 LEU 55 -10.291 6.734 7.288 4 HB3 LEU 55 HB3 LEU 55 -11.029 8.178 6.628 5 HG LEU 55 HG LEU 55 -11.182 6.982 4.409 6 HD11 LEU 55 HD11 LEU 55 -9.493 5.255 4.870 7 HD12 LEU 55 HD12 LEU 55 -10.567 4.549 6.079 8 HD13 LEU 55 HD13 LEU 55 -11.044 4.569 4.382 9 HD21 LEU 55 HD21 LEU 55 -13.095 7.265 5.923 10 HD22 LEU 55 HD22 LEU 55 -13.177 5.751 5.022 11 HD23 LEU 55 HD23 LEU 55 -12.683 5.741 6.715 No H/Q in entry = 11 In of MODEL 14 1 H SER 56 H SER 56 -10.769 9.614 5.518 2 HA SER 56 HA SER 56 -9.644 10.943 3.296 3 HB2 SER 56 HB2 SER 56 -11.625 8.755 2.733 4 HB3 SER 56 HB3 SER 56 -11.585 10.191 1.713 5 HG SER 56 HG SER 56 -9.372 8.495 2.268 No H/Q in entry = 5 In of MODEL 14 1 H PHE 57 H PHE 57 -11.612 12.056 2.058 2 HA PHE 57 HA PHE 57 -13.721 12.800 3.938 3 HB2 PHE 57 HB2 PHE 57 -13.546 15.155 3.202 4 HB3 PHE 57 HB3 PHE 57 -12.074 14.621 4.002 5 HD1 PHE 57 HD1 PHE 57 -13.541 15.861 0.937 6 HD2 PHE 57 HD2 PHE 57 -10.041 14.151 2.656 7 HE1 PHE 57 HE1 PHE 57 -12.230 16.598 -1.008 8 HE2 PHE 57 HE2 PHE 57 -8.725 14.887 0.712 9 HZ PHE 57 HZ PHE 57 -9.821 16.111 -1.124 No H/Q in entry = 9 In of MODEL 14 1 H SER 58 H SER 58 -15.601 13.744 2.753 2 HA SER 58 HA SER 58 -16.411 12.119 0.656 3 HB2 SER 58 HB2 SER 58 -18.121 14.086 0.313 4 HB3 SER 58 HB3 SER 58 -18.161 13.127 1.793 5 HG SER 58 HG SER 58 -17.344 15.769 1.389 No H/Q in entry = 5 In of MODEL 14 1 H LYS 59 H LYS 59 -16.172 12.165 -1.506 2 HA LYS 59 HA LYS 59 -15.010 14.526 -2.746 3 HB2 LYS 59 HB2 LYS 59 -13.060 13.252 -2.104 4 HB3 LYS 59 HB3 LYS 59 -13.726 11.790 -2.813 5 HG2 LYS 59 HG2 LYS 59 -13.467 12.638 -5.012 6 HG3 LYS 59 HG3 LYS 59 -13.077 14.250 -4.412 7 HD2 LYS 59 HD2 LYS 59 -10.978 13.551 -3.596 8 HD3 LYS 59 HD3 LYS 59 -11.404 11.846 -3.737 9 HE2 LYS 59 HE2 LYS 59 -9.823 12.894 -5.491 10 HE3 LYS 59 HE3 LYS 59 -11.117 11.833 -6.043 11 HZ1 LYS 59 HZ1 LYS 59 -11.393 14.788 -5.945 12 HZ2 LYS 59 HZ2 LYS 59 -10.814 13.964 -7.310 13 HZ3 LYS 59 HZ3 LYS 59 -12.387 13.668 -6.747 No H/Q in entry = 13 In of MODEL 14 1 H ASP 60 H ASP 60 -15.110 11.247 -4.135 2 HA ASP 60 HA ASP 60 -17.345 12.178 -5.803 3 HB2 ASP 60 HB2 ASP 60 -15.043 10.408 -6.665 4 HB3 ASP 60 HB3 ASP 60 -16.416 10.858 -7.669 No H/Q in entry = 4 In of MODEL 14 1 H TRP 61 H TRP 61 -15.647 9.060 -5.321 2 HA TRP 61 HA TRP 61 -17.460 7.963 -3.514 3 HB2 TRP 61 HB2 TRP 61 -18.923 8.180 -5.674 4 HB3 TRP 61 HB3 TRP 61 -18.023 6.761 -6.208 5 HD1 TRP 61 HD1 TRP 61 -19.588 7.611 -2.764 6 HE1 TRP 61 HE1 TRP 61 -21.083 5.648 -2.047 7 HE3 TRP 61 HE3 TRP 61 -19.027 4.639 -6.885 8 HZ2 TRP 61 HZ2 TRP 61 -21.914 3.158 -3.096 9 HZ3 TRP 61 HZ3 TRP 61 -20.199 2.484 -6.962 10 HH2 TRP 61 HH2 TRP 61 -21.631 1.751 -5.080 No H/Q in entry = 10 In of MODEL 14 1 H SER 62 H SER 62 -15.658 7.059 -2.620 2 HA SER 62 HA SER 62 -14.910 4.488 -3.485 3 HB2 SER 62 HB2 SER 62 -12.334 5.217 -3.693 4 HB3 SER 62 HB3 SER 62 -13.385 5.317 -5.120 5 HG SER 62 HG SER 62 -13.334 7.452 -5.012 No H/Q in entry = 5 In of MODEL 14 1 H PHE 63 H PHE 63 -13.821 7.348 -1.702 2 HA PHE 63 HA PHE 63 -13.067 7.668 0.410 3 HB2 PHE 63 HB2 PHE 63 -14.254 4.957 1.075 4 HB3 PHE 63 HB3 PHE 63 -13.894 6.258 2.199 5 HD1 PHE 63 HD1 PHE 63 -16.210 5.065 -0.388 6 HD2 PHE 63 HD2 PHE 63 -15.434 8.133 2.474 7 HE1 PHE 63 HE1 PHE 63 -18.539 5.835 -0.588 8 HE2 PHE 63 HE2 PHE 63 -17.779 8.907 2.273 9 HZ PHE 63 HZ PHE 63 -19.317 7.758 0.735 No H/Q in entry = 9 In of MODEL 14 1 H TYR 64 H TYR 64 -10.970 7.688 0.116 2 HA TYR 64 HA TYR 64 -9.477 5.330 -0.579 3 HB2 TYR 64 HB2 TYR 64 -8.417 8.096 0.088 4 HB3 TYR 64 HB3 TYR 64 -7.616 6.854 -0.869 5 HD1 TYR 64 HD1 TYR 64 -10.354 9.325 -0.851 6 HD2 TYR 64 HD2 TYR 64 -8.066 6.623 -3.212 7 HE1 TYR 64 HE1 TYR 64 -11.280 10.334 -2.890 8 HE2 TYR 64 HE2 TYR 64 -8.989 7.635 -5.260 9 HH TYR 64 HH TYR 64 -11.034 8.900 -5.918 No H/Q in entry = 9 In of MODEL 14 1 H LEU 65 H LEU 65 -7.872 4.332 0.682 2 HA LEU 65 HA LEU 65 -7.401 5.468 3.341 3 HB2 LEU 65 HB2 LEU 65 -8.855 3.710 3.860 4 HB3 LEU 65 HB3 LEU 65 -8.162 2.644 2.655 5 HG LEU 65 HG LEU 65 -6.234 3.328 4.716 6 HD11 LEU 65 HD11 LEU 65 -8.284 3.541 6.067 7 HD12 LEU 65 HD12 LEU 65 -8.748 1.912 5.581 8 HD13 LEU 65 HD13 LEU 65 -7.295 2.165 6.549 9 HD21 LEU 65 HD21 LEU 65 -7.473 0.752 3.767 10 HD22 LEU 65 HD22 LEU 65 -6.009 1.496 3.125 11 HD23 LEU 65 HD23 LEU 65 -6.040 0.892 4.781 No H/Q in entry = 11 In of MODEL 14 1 H LEU 66 H LEU 66 -5.313 5.610 3.895 2 HA LEU 66 HA LEU 66 -3.403 4.753 1.826 3 HB2 LEU 66 HB2 LEU 66 -3.991 7.271 2.454 4 HB3 LEU 66 HB3 LEU 66 -2.835 6.984 3.722 5 HG LEU 66 HG LEU 66 -2.272 6.763 0.778 6 HD11 LEU 66 HD11 LEU 66 -2.642 9.064 1.497 7 HD12 LEU 66 HD12 LEU 66 -1.447 8.859 2.773 8 HD13 LEU 66 HD13 LEU 66 -0.950 8.792 1.087 9 HD21 LEU 66 HD21 LEU 66 -0.409 6.525 3.121 10 HD22 LEU 66 HD22 LEU 66 -0.866 5.237 2.008 11 HD23 LEU 66 HD23 LEU 66 0.087 6.607 1.429 No H/Q in entry = 11 In of MODEL 14 1 H TYR 67 H TYR 67 -1.811 3.445 2.408 2 HA TYR 67 HA TYR 67 -1.061 3.285 5.249 3 HB2 TYR 67 HB2 TYR 67 -1.697 1.114 3.335 4 HB3 TYR 67 HB3 TYR 67 -0.335 0.855 4.416 5 HD1 TYR 67 HD1 TYR 67 -0.721 0.972 6.905 6 HD2 TYR 67 HD2 TYR 67 -3.919 0.839 4.103 7 HE1 TYR 67 HE1 TYR 67 -2.225 0.162 8.676 8 HE2 TYR 67 HE2 TYR 67 -5.426 0.037 5.865 9 HH TYR 67 HH TYR 67 -5.024 -1.319 8.150 No H/Q in entry = 9 In of MODEL 14 1 H TYR 68 H TYR 68 0.914 4.011 5.555 2 HA TYR 68 HA TYR 68 2.922 3.495 3.467 3 HB2 TYR 68 HB2 TYR 68 3.779 5.784 3.646 4 HB3 TYR 68 HB3 TYR 68 2.086 5.797 3.149 5 HD1 TYR 68 HD1 TYR 68 4.440 6.544 5.865 6 HD2 TYR 68 HD2 TYR 68 0.392 6.728 4.582 7 HE1 TYR 68 HE1 TYR 68 3.943 8.110 7.691 8 HE2 TYR 68 HE2 TYR 68 -0.125 8.294 6.398 9 HH TYR 68 HH TYR 68 2.353 9.765 8.313 No H/Q in entry = 9 In of MODEL 14 1 H THR 69 H THR 69 5.171 4.025 4.238 2 HA THR 69 HA THR 69 5.606 4.120 7.087 3 HB THR 69 HB THR 69 5.227 1.674 6.729 4 HG1 THR 69 HG1 THR 69 6.814 2.577 8.276 5 HG21 THR 69 HG21 THR 69 7.601 1.947 4.876 6 HG22 THR 69 HG22 THR 69 7.013 0.407 5.509 7 HG23 THR 69 HG23 THR 69 5.977 1.381 4.465 No H/Q in entry = 7 In of MODEL 14 1 H GLU 70 H GLU 70 7.602 4.997 7.516 2 HA GLU 70 HA GLU 70 9.147 5.999 5.336 3 HB2 GLU 70 HB2 GLU 70 10.173 5.896 8.161 4 HB3 GLU 70 HB3 GLU 70 10.383 7.164 6.964 5 HG2 GLU 70 HG2 GLU 70 7.964 7.648 7.175 6 HG3 GLU 70 HG3 GLU 70 7.923 6.519 8.523 No H/Q in entry = 6 In of MODEL 14 1 H PHE 71 H PHE 71 11.053 5.237 4.544 2 HA PHE 71 HA PHE 71 12.191 2.879 5.729 3 HB2 PHE 71 HB2 PHE 71 11.946 1.430 3.788 4 HB3 PHE 71 HB3 PHE 71 10.367 1.932 4.368 5 HD1 PHE 71 HD1 PHE 71 10.743 4.786 2.979 6 HD2 PHE 71 HD2 PHE 71 11.008 0.743 1.692 7 HE1 PHE 71 HE1 PHE 71 10.124 5.470 0.714 8 HE2 PHE 71 HE2 PHE 71 10.383 1.412 -0.584 9 HZ PHE 71 HZ PHE 71 9.951 3.791 -1.096 No H/Q in entry = 9 In of MODEL 14 1 H THR 72 H THR 72 14.184 2.164 4.614 2 HA THR 72 HA THR 72 15.390 4.276 2.958 3 HB THR 72 HB THR 72 16.872 2.445 4.857 4 HG1 THR 72 HG1 THR 72 15.366 4.531 5.458 5 HG21 THR 72 HG21 THR 72 17.745 4.929 3.361 6 HG22 THR 72 HG22 THR 72 18.730 4.016 4.504 7 HG23 THR 72 HG23 THR 72 18.225 3.273 2.986 No H/Q in entry = 7 In of MODEL 14 1 HA PRO 73 HA PRO 73 14.879 0.487 0.307 2 HB2 PRO 73 HB2 PRO 73 15.493 2.047 -1.959 3 HB3 PRO 73 HB3 PRO 73 13.871 1.624 -1.388 4 HG2 PRO 73 HG2 PRO 73 15.451 4.116 -0.962 5 HG3 PRO 73 HG3 PRO 73 13.702 3.927 -1.202 6 HD2 PRO 73 HD2 PRO 73 14.708 4.425 1.220 7 HD3 PRO 73 HD3 PRO 73 13.348 3.291 1.018 No H/Q in entry = 7 In of MODEL 14 1 H THR 74 H THR 74 16.287 -0.723 -0.812 2 HA THR 74 HA THR 74 18.974 0.209 -1.335 3 HB THR 74 HB THR 74 20.043 -1.697 -0.404 4 HG1 THR 74 HG1 THR 74 17.418 -2.726 0.054 5 HG21 THR 74 HG21 THR 74 17.922 -0.814 1.550 6 HG22 THR 74 HG22 THR 74 19.403 -1.674 1.973 7 HG23 THR 74 HG23 THR 74 19.491 -0.045 1.299 No H/Q in entry = 7 In of MODEL 14 1 H GLU 75 H GLU 75 20.042 -1.651 -2.782 2 HA GLU 75 HA GLU 75 18.168 -2.289 -4.855 3 HB2 GLU 75 HB2 GLU 75 20.465 -1.606 -5.325 4 HB3 GLU 75 HB3 GLU 75 21.084 -3.011 -4.489 5 HG2 GLU 75 HG2 GLU 75 19.390 -3.168 -6.970 6 HG3 GLU 75 HG3 GLU 75 21.148 -3.061 -6.978 No H/Q in entry = 6 In of MODEL 14 1 H LYS 76 H LYS 76 19.766 -4.008 -2.301 2 HA LYS 76 HA LYS 76 19.197 -6.552 -3.458 3 HB2 LYS 76 HB2 LYS 76 20.486 -5.770 -0.855 4 HB3 LYS 76 HB3 LYS 76 20.368 -7.422 -1.442 5 HG2 LYS 76 HG2 LYS 76 22.238 -7.155 -2.613 6 HG3 LYS 76 HG3 LYS 76 21.511 -5.816 -3.501 7 HD2 LYS 76 HD2 LYS 76 22.120 -4.356 -1.523 8 HD3 LYS 76 HD3 LYS 76 23.083 -5.715 -0.941 9 HE2 LYS 76 HE2 LYS 76 24.313 -5.700 -3.103 10 HE3 LYS 76 HE3 LYS 76 23.416 -4.249 -3.565 11 HZ1 LYS 76 HZ1 LYS 76 25.157 -4.473 -1.161 12 HZ2 LYS 76 HZ2 LYS 76 25.629 -3.764 -2.623 13 HZ3 LYS 76 HZ3 LYS 76 24.376 -3.075 -1.710 No H/Q in entry = 13 In of MODEL 14 1 H ASP 77 H ASP 77 17.701 -4.448 -1.175 2 HA ASP 77 HA ASP 77 15.932 -6.650 -0.365 3 HB2 ASP 77 HB2 ASP 77 15.596 -5.592 1.657 4 HB3 ASP 77 HB3 ASP 77 17.148 -4.862 1.265 No H/Q in entry = 4 In of MODEL 14 1 H GLU 78 H GLU 78 13.561 -5.755 0.049 2 HA GLU 78 HA GLU 78 12.670 -3.912 -1.979 3 HB2 GLU 78 HB2 GLU 78 13.117 -5.950 -3.298 4 HB3 GLU 78 HB3 GLU 78 12.020 -6.860 -2.276 5 HG2 GLU 78 HG2 GLU 78 10.955 -6.230 -4.382 6 HG3 GLU 78 HG3 GLU 78 10.151 -5.410 -3.038 No H/Q in entry = 6 In of MODEL 14 1 H TYR 79 H TYR 79 10.451 -3.370 -1.725 2 HA TYR 79 HA TYR 79 9.203 -4.599 0.626 3 HB2 TYR 79 HB2 TYR 79 8.781 -1.681 -0.082 4 HB3 TYR 79 HB3 TYR 79 8.356 -2.511 1.411 5 HD1 TYR 79 HD1 TYR 79 9.483 -1.536 3.171 6 HD2 TYR 79 HD2 TYR 79 11.614 -2.214 -0.450 7 HE1 TYR 79 HE1 TYR 79 11.535 -0.662 4.215 8 HE2 TYR 79 HE2 TYR 79 13.677 -1.393 0.607 9 HH TYR 79 HH TYR 79 14.435 -0.104 2.389 No H/Q in entry = 9 In of MODEL 14 1 H ALA 80 H ALA 80 6.832 -4.573 0.646 2 HA ALA 80 HA ALA 80 5.707 -4.427 -2.065 3 HB1 ALA 80 HB1 ALA 80 6.503 -6.687 -1.873 4 HB2 ALA 80 HB2 ALA 80 4.740 -6.677 -1.808 5 HB3 ALA 80 HB3 ALA 80 5.673 -6.879 -0.322 No H/Q in entry = 5 In of MODEL 14 1 H CYS 81 H CYS 81 3.326 -4.647 -2.084 2 HA CYS 81 HA CYS 81 2.113 -3.760 0.452 3 HB2 CYS 81 HB2 CYS 81 1.644 -3.019 -2.398 4 HB3 CYS 81 HB3 CYS 81 0.251 -3.060 -1.327 No H/Q in entry = 4 In of MODEL 14 1 H ARG 82 H ARG 82 0.574 -4.995 1.335 2 HA ARG 82 HA ARG 82 -0.655 -7.171 -0.264 3 HB2 ARG 82 HB2 ARG 82 0.913 -7.823 1.657 4 HB3 ARG 82 HB3 ARG 82 -0.285 -7.110 2.724 5 HG2 ARG 82 HG2 ARG 82 -1.974 -8.723 1.854 6 HG3 ARG 82 HG3 ARG 82 -0.681 -9.513 0.951 7 HD2 ARG 82 HD2 ARG 82 0.157 -10.526 2.801 8 HD3 ARG 82 HD3 ARG 82 -0.086 -9.093 3.795 9 HE ARG 82 HE ARG 82 -2.244 -10.988 3.151 10 HH11 ARG 82 HH11 ARG 82 -0.487 -8.905 5.360 11 HH12 ARG 82 HH12 ARG 82 -1.450 -9.366 6.745 12 HH21 ARG 82 HH21 ARG 82 -3.497 -11.583 4.975 13 HH22 ARG 82 HH22 ARG 82 -3.145 -10.885 6.526 No H/Q in entry = 13 In of MODEL 14 1 H VAL 83 H VAL 83 -2.889 -7.204 -0.274 2 HA VAL 83 HA VAL 83 -4.236 -5.707 1.878 3 HB VAL 83 HB VAL 83 -5.717 -4.550 0.580 4 HG11 VAL 83 HG11 VAL 83 -3.233 -4.694 -1.075 5 HG12 VAL 83 HG12 VAL 83 -4.484 -3.461 -1.228 6 HG13 VAL 83 HG13 VAL 83 -3.568 -3.606 0.270 7 HG21 VAL 83 HG21 VAL 83 -5.119 -6.356 -1.749 8 HG22 VAL 83 HG22 VAL 83 -6.566 -6.396 -0.740 9 HG23 VAL 83 HG23 VAL 83 -6.240 -4.995 -1.761 No H/Q in entry = 9 In of MODEL 14 1 H ASN 84 H ASN 84 -6.062 -6.526 2.635 2 HA ASN 84 HA ASN 84 -6.916 -9.126 1.572 3 HB2 ASN 84 HB2 ASN 84 -7.106 -8.174 4.445 4 HB3 ASN 84 HB3 ASN 84 -7.497 -9.776 3.846 5 HD21 ASN 84 HD21 ASN 84 -4.869 -7.506 4.340 6 HD22 ASN 84 HD22 ASN 84 -3.618 -8.696 4.466 No H/Q in entry = 6 In of MODEL 14 1 H HIS 85 H HIS 85 -8.932 -9.048 0.682 2 HA HIS 85 HA HIS 85 -11.011 -7.820 2.307 3 HB2 HIS 85 HB2 HIS 85 -10.212 -6.300 0.316 4 HB3 HIS 85 HB3 HIS 85 -11.129 -7.438 -0.664 5 HD2 HIS 85 HD2 HIS 85 -11.824 -4.908 2.289 6 HE1 HIS 85 HE1 HIS 85 -15.388 -5.651 0.124 7 HE2 HIS 85 HE2 HIS 85 -14.270 -4.159 1.839 No H/Q in entry = 7 In of MODEL 14 1 H VAL 86 H VAL 86 -13.198 -8.612 1.530 2 HA VAL 86 HA VAL 86 -13.118 -11.428 1.321 3 HB VAL 86 HB VAL 86 -14.943 -10.166 2.441 4 HG11 VAL 86 HG11 VAL 86 -15.811 -9.519 -0.372 5 HG12 VAL 86 HG12 VAL 86 -16.758 -9.225 1.086 6 HG13 VAL 86 HG13 VAL 86 -15.236 -8.372 0.837 7 HG21 VAL 86 HG21 VAL 86 -15.267 -12.501 1.853 8 HG22 VAL 86 HG22 VAL 86 -16.778 -11.606 1.683 9 HG23 VAL 86 HG23 VAL 86 -15.841 -12.036 0.252 No H/Q in entry = 9 In of MODEL 14 1 H THR 87 H THR 87 -13.181 -8.911 -1.069 2 HA THR 87 HA THR 87 -14.431 -10.390 -3.143 3 HB THR 87 HB THR 87 -13.637 -8.635 -4.622 4 HG1 THR 87 HG1 THR 87 -11.594 -8.182 -3.900 5 HG21 THR 87 HG21 THR 87 -15.581 -8.163 -3.244 6 HG22 THR 87 HG22 THR 87 -14.545 -7.536 -1.965 7 HG23 THR 87 HG23 THR 87 -14.644 -6.699 -3.514 No H/Q in entry = 7 In of MODEL 14 1 H LEU 88 H LEU 88 -11.090 -9.705 -2.289 2 HA LEU 88 HA LEU 88 -10.022 -10.991 -4.593 3 HB2 LEU 88 HB2 LEU 88 -8.700 -10.204 -1.986 4 HB3 LEU 88 HB3 LEU 88 -7.840 -10.770 -3.405 5 HG LEU 88 HG LEU 88 -9.374 -8.188 -3.105 6 HD11 LEU 88 HD11 LEU 88 -7.067 -8.295 -2.171 7 HD12 LEU 88 HD12 LEU 88 -6.481 -8.691 -3.795 8 HD13 LEU 88 HD13 LEU 88 -7.255 -7.130 -3.492 9 HD21 LEU 88 HD21 LEU 88 -8.111 -9.364 -5.578 10 HD22 LEU 88 HD22 LEU 88 -9.833 -9.098 -5.309 11 HD23 LEU 88 HD23 LEU 88 -8.738 -7.721 -5.432 No H/Q in entry = 11 In of MODEL 14 1 H SER 89 H SER 89 -9.887 -13.124 -4.881 2 HA SER 89 HA SER 89 -10.794 -14.918 -2.878 3 HB2 SER 89 HB2 SER 89 -10.199 -16.668 -4.596 4 HB3 SER 89 HB3 SER 89 -11.263 -15.398 -5.178 5 HG SER 89 HG SER 89 -8.813 -16.101 -6.071 No H/Q in entry = 5 In of MODEL 14 1 H GLN 90 H GLN 90 -7.773 -13.551 -3.576 2 HA GLN 90 HA GLN 90 -6.583 -14.975 -1.335 3 HB2 GLN 90 HB2 GLN 90 -4.918 -14.331 -3.768 4 HB3 GLN 90 HB3 GLN 90 -4.540 -15.424 -2.448 5 HG2 GLN 90 HG2 GLN 90 -5.918 -17.120 -3.317 6 HG3 GLN 90 HG3 GLN 90 -6.721 -15.998 -4.428 7 HE21 GLN 90 HE21 GLN 90 -6.248 -17.248 -6.211 8 HE22 GLN 90 HE22 GLN 90 -4.640 -17.386 -6.854 No H/Q in entry = 8 In of MODEL 14 1 HA PRO 91 HA PRO 91 -5.736 -10.528 -0.391 2 HB2 PRO 91 HB2 PRO 91 -3.378 -11.996 0.799 3 HB3 PRO 91 HB3 PRO 91 -4.229 -10.566 1.421 4 HG2 PRO 91 HG2 PRO 91 -4.840 -12.887 2.452 5 HG3 PRO 91 HG3 PRO 91 -6.165 -11.804 1.934 6 HD2 PRO 91 HD2 PRO 91 -5.062 -14.262 0.581 7 HD3 PRO 91 HD3 PRO 91 -6.767 -13.727 0.710 No H/Q in entry = 7 In of MODEL 14 1 H LYS 92 H LYS 92 -4.162 -9.023 -1.165 2 HA LYS 92 HA LYS 92 -2.961 -10.170 -3.591 3 HB2 LYS 92 HB2 LYS 92 -4.989 -8.672 -3.815 4 HB3 LYS 92 HB3 LYS 92 -3.941 -7.354 -3.295 5 HG2 LYS 92 HG2 LYS 92 -4.061 -7.504 -5.731 6 HG3 LYS 92 HG3 LYS 92 -2.425 -7.835 -5.120 7 HD2 LYS 92 HD2 LYS 92 -2.447 -9.881 -5.976 8 HD3 LYS 92 HD3 LYS 92 -3.951 -10.244 -5.138 9 HE2 LYS 92 HE2 LYS 92 -4.302 -10.563 -7.492 10 HE3 LYS 92 HE3 LYS 92 -5.217 -9.157 -6.941 11 HZ1 LYS 92 HZ1 LYS 92 -2.597 -9.064 -8.349 12 HZ2 LYS 92 HZ2 LYS 92 -4.102 -8.755 -9.058 13 HZ3 LYS 92 HZ3 LYS 92 -3.505 -7.723 -7.860 No H/Q in entry = 13 In of MODEL 14 1 H ILE 93 H ILE 93 -0.862 -9.937 -3.831 2 HA ILE 93 HA ILE 93 0.475 -7.820 -2.299 3 HB ILE 93 HB ILE 93 1.627 -10.395 -3.353 4 HG12 ILE 93 HG12 ILE 93 2.220 -10.584 -0.825 5 HG13 ILE 93 HG13 ILE 93 0.976 -9.367 -0.608 6 HG21 ILE 93 HG21 ILE 93 3.222 -8.572 -3.630 7 HG22 ILE 93 HG22 ILE 93 3.033 -8.150 -1.927 8 HG23 ILE 93 HG23 ILE 93 3.749 -9.697 -2.375 9 HD11 ILE 93 HD11 ILE 93 0.571 -12.053 -1.891 10 HD12 ILE 93 HD12 ILE 93 0.157 -11.640 -0.228 11 HD13 ILE 93 HD13 ILE 93 -0.672 -10.849 -1.567 No H/Q in entry = 11 In of MODEL 14 1 H VAL 94 H VAL 94 1.270 -6.216 -3.366 2 HA VAL 94 HA VAL 94 2.213 -6.618 -6.121 3 HB VAL 94 HB VAL 94 0.868 -4.137 -5.012 4 HG11 VAL 94 HG11 VAL 94 2.698 -3.571 -6.527 5 HG12 VAL 94 HG12 VAL 94 2.026 -4.647 -7.750 6 HG13 VAL 94 HG13 VAL 94 1.135 -3.205 -7.258 7 HG21 VAL 94 HG21 VAL 94 -0.003 -6.071 -7.159 8 HG22 VAL 94 HG22 VAL 94 -0.721 -5.898 -5.556 9 HG23 VAL 94 HG23 VAL 94 -0.837 -4.579 -6.723 No H/Q in entry = 9 In of MODEL 14 1 H LYS 95 H LYS 95 4.270 -6.073 -6.397 2 HA LYS 95 HA LYS 95 5.752 -5.241 -4.061 3 HB2 LYS 95 HB2 LYS 95 6.585 -6.048 -6.826 4 HB3 LYS 95 HB3 LYS 95 7.719 -5.444 -5.628 5 HG2 LYS 95 HG2 LYS 95 7.126 -7.295 -4.140 6 HG3 LYS 95 HG3 LYS 95 6.040 -7.925 -5.386 7 HD2 LYS 95 HD2 LYS 95 7.783 -8.447 -6.821 8 HD3 LYS 95 HD3 LYS 95 8.896 -7.336 -6.027 9 HE2 LYS 95 HE2 LYS 95 9.489 -9.646 -5.552 10 HE3 LYS 95 HE3 LYS 95 8.989 -8.809 -4.083 11 HZ1 LYS 95 HZ1 LYS 95 7.132 -10.493 -5.674 12 HZ2 LYS 95 HZ2 LYS 95 8.077 -11.118 -4.410 13 HZ3 LYS 95 HZ3 LYS 95 6.923 -9.920 -4.095 No H/Q in entry = 13 In of MODEL 14 1 H TRP 96 H TRP 96 6.961 -3.410 -3.871 2 HA TRP 96 HA TRP 96 5.885 -1.086 -5.094 3 HB2 TRP 96 HB2 TRP 96 6.751 -0.895 -2.845 4 HB3 TRP 96 HB3 TRP 96 8.352 -1.456 -3.345 5 HD1 TRP 96 HD1 TRP 96 5.996 1.463 -4.408 6 HE1 TRP 96 HE1 TRP 96 7.464 3.549 -4.757 7 HE3 TRP 96 HE3 TRP 96 10.556 -0.554 -3.279 8 HZ2 TRP 96 HZ2 TRP 96 10.180 4.240 -4.575 9 HZ3 TRP 96 HZ3 TRP 96 12.545 0.888 -3.377 10 HH2 TRP 96 HH2 TRP 96 12.353 3.261 -4.008 No H/Q in entry = 10 In of MODEL 14 1 H ASP 97 H ASP 97 6.175 -0.774 -7.172 2 HA ASP 97 HA ASP 97 8.638 -1.649 -8.436 3 HB2 ASP 97 HB2 ASP 97 7.473 -1.189 -10.552 4 HB3 ASP 97 HB3 ASP 97 6.541 -2.273 -9.523 No H/Q in entry = 4 In of MODEL 14 1 H ARG 98 H ARG 98 10.278 -0.323 -8.524 2 HA ARG 98 HA ARG 98 9.835 2.542 -8.824 3 HB2 ARG 98 HB2 ARG 98 12.333 2.671 -8.574 4 HB3 ARG 98 HB3 ARG 98 11.531 1.924 -7.204 5 HG2 ARG 98 HG2 ARG 98 12.361 -0.008 -9.227 6 HG3 ARG 98 HG3 ARG 98 13.701 0.927 -8.578 7 HD2 ARG 98 HD2 ARG 98 11.735 -0.369 -6.716 8 HD3 ARG 98 HD3 ARG 98 13.034 -1.314 -7.438 9 HE ARG 98 HE ARG 98 14.078 1.048 -6.283 10 HH11 ARG 98 HH11 ARG 98 12.693 -2.058 -5.364 11 HH12 ARG 98 HH12 ARG 98 13.705 -2.235 -3.972 12 HH21 ARG 98 HH21 ARG 98 15.440 0.780 -4.450 13 HH22 ARG 98 HH22 ARG 98 15.287 -0.648 -3.472 No H/Q in entry = 13 In of MODEL 14 1 H ASP 99 H ASP 99 11.192 -0.226 -10.512 2 HA ASP 99 HA ASP 99 11.095 1.259 -13.055 3 HB2 ASP 99 HB2 ASP 99 13.272 -0.590 -12.063 4 HB3 ASP 99 HB3 ASP 99 13.103 -0.126 -13.750 No H/Q in entry = 4 In of MODEL 14 1 H MET 100 H MET 100 10.008 -1.192 -11.229 2 HA MET 100 HA MET 100 10.216 -3.410 -13.020 3 HB2 MET 100 HB2 MET 100 8.304 -3.288 -10.698 4 HB3 MET 100 HB3 MET 100 9.148 -4.681 -11.362 5 HG2 MET 100 HG2 MET 100 10.299 -2.463 -9.693 6 HG3 MET 100 HG3 MET 100 10.121 -4.162 -9.261 7 HE1 MET 100 HE1 MET 100 11.604 -6.106 -10.216 8 HE2 MET 100 HE2 MET 100 11.096 -5.690 -11.852 9 HE3 MET 100 HE3 MET 100 12.808 -5.897 -11.487 No H/Q in entry = 9 In of MODEL 15 1 HA ILE 2 HA ILE 2 -21.919 -8.377 -4.210 2 HB ILE 2 HB ILE 2 -22.554 -6.182 -5.288 3 HG12 ILE 2 HG12 ILE 2 -24.919 -5.407 -4.476 4 HG13 ILE 2 HG13 ILE 2 -24.435 -6.127 -2.946 5 HG21 ILE 2 HG21 ILE 2 -24.750 -8.186 -4.801 6 HG22 ILE 2 HG22 ILE 2 -24.708 -7.013 -6.115 7 HG23 ILE 2 HG23 ILE 2 -23.489 -8.286 -6.033 8 HD11 ILE 2 HD11 ILE 2 -22.984 -3.922 -4.393 9 HD12 ILE 2 HD12 ILE 2 -24.024 -3.734 -2.981 10 HD13 ILE 2 HD13 ILE 2 -22.512 -4.634 -2.850 No H/Q in entry = 10 In of MODEL 15 1 H GLN 3 H GLN 3 -20.247 -6.761 -4.841 2 HA GLN 3 HA GLN 3 -19.353 -4.808 -3.011 3 HB2 GLN 3 HB2 GLN 3 -19.010 -7.016 -1.716 4 HB3 GLN 3 HB3 GLN 3 -17.732 -7.362 -2.868 5 HG2 GLN 3 HG2 GLN 3 -16.933 -6.398 -0.726 6 HG3 GLN 3 HG3 GLN 3 -16.471 -5.467 -2.156 7 HE21 GLN 3 HE21 GLN 3 -18.563 -5.580 0.630 8 HE22 GLN 3 HE22 GLN 3 -18.995 -3.902 0.624 No H/Q in entry = 8 In of MODEL 15 1 H ARG 4 H ARG 4 -16.937 -4.282 -3.470 2 HA ARG 4 HA ARG 4 -16.387 -4.689 -6.336 3 HB2 ARG 4 HB2 ARG 4 -16.693 -2.358 -5.964 4 HB3 ARG 4 HB3 ARG 4 -15.761 -2.411 -4.460 5 HG2 ARG 4 HG2 ARG 4 -13.908 -1.838 -5.597 6 HG3 ARG 4 HG3 ARG 4 -14.037 -3.354 -6.460 7 HD2 ARG 4 HD2 ARG 4 -15.417 -0.827 -7.380 8 HD3 ARG 4 HD3 ARG 4 -13.869 -1.417 -7.994 9 HE ARG 4 HE ARG 4 -15.307 -3.536 -8.488 10 HH11 ARG 4 HH11 ARG 4 -16.213 -0.174 -8.902 11 HH12 ARG 4 HH12 ARG 4 -17.422 -0.523 -10.101 12 HH21 ARG 4 HH21 ARG 4 -16.865 -3.987 -10.094 13 HH22 ARG 4 HH22 ARG 4 -17.777 -2.683 -10.790 No H/Q in entry = 13 In of MODEL 15 1 H THR 5 H THR 5 -14.344 -5.420 -6.916 2 HA THR 5 HA THR 5 -12.702 -6.473 -4.815 3 HB THR 5 HB THR 5 -11.232 -7.320 -6.564 4 HG1 THR 5 HG1 THR 5 -11.721 -5.285 -7.910 5 HG21 THR 5 HG21 THR 5 -14.178 -7.644 -7.097 6 HG22 THR 5 HG22 THR 5 -12.951 -8.539 -7.994 7 HG23 THR 5 HG23 THR 5 -13.085 -8.735 -6.251 No H/Q in entry = 7 In of MODEL 15 1 HA PRO 6 HA PRO 6 -10.799 -2.436 -4.400 2 HB2 PRO 6 HB2 PRO 6 -9.133 -3.701 -2.347 3 HB3 PRO 6 HB3 PRO 6 -10.301 -2.387 -2.181 4 HG2 PRO 6 HG2 PRO 6 -10.718 -4.886 -1.189 5 HG3 PRO 6 HG3 PRO 6 -12.042 -3.810 -1.706 6 HD2 PRO 6 HD2 PRO 6 -10.826 -6.162 -3.116 7 HD3 PRO 6 HD3 PRO 6 -12.514 -5.593 -3.091 No H/Q in entry = 7 In of MODEL 15 1 H LYS 7 H LYS 7 -9.104 -1.731 -5.592 2 HA LYS 7 HA LYS 7 -7.214 -3.764 -6.516 3 HB2 LYS 7 HB2 LYS 7 -8.442 -2.520 -8.255 4 HB3 LYS 7 HB3 LYS 7 -7.814 -1.003 -7.625 5 HG2 LYS 7 HG2 LYS 7 -5.523 -1.787 -8.156 6 HG3 LYS 7 HG3 LYS 7 -6.229 -3.222 -8.902 7 HD2 LYS 7 HD2 LYS 7 -7.421 -1.809 -10.498 8 HD3 LYS 7 HD3 LYS 7 -6.738 -0.370 -9.739 9 HE2 LYS 7 HE2 LYS 7 -5.180 -2.568 -11.100 10 HE3 LYS 7 HE3 LYS 7 -5.504 -0.966 -11.762 11 HZ1 LYS 7 HZ1 LYS 7 -4.000 -1.443 -9.247 12 HZ2 LYS 7 HZ2 LYS 7 -3.266 -1.220 -10.755 13 HZ3 LYS 7 HZ3 LYS 7 -4.184 0.028 -10.068 No H/Q in entry = 13 In of MODEL 15 1 H ILE 8 H ILE 8 -5.028 -3.353 -6.602 2 HA ILE 8 HA ILE 8 -4.094 -1.705 -4.350 3 HB ILE 8 HB ILE 8 -2.807 -4.043 -5.782 4 HG12 ILE 8 HG12 ILE 8 -2.869 -5.182 -3.689 5 HG13 ILE 8 HG13 ILE 8 -3.309 -3.717 -2.834 6 HG21 ILE 8 HG21 ILE 8 -1.585 -2.191 -3.760 7 HG22 ILE 8 HG22 ILE 8 -0.916 -3.761 -4.207 8 HG23 ILE 8 HG23 ILE 8 -1.047 -2.483 -5.414 9 HD11 ILE 8 HD11 ILE 8 -5.088 -5.049 -4.838 10 HD12 ILE 8 HD12 ILE 8 -5.122 -5.396 -3.109 11 HD13 ILE 8 HD13 ILE 8 -5.505 -3.775 -3.697 No H/Q in entry = 11 In of MODEL 15 1 H GLN 9 H GLN 9 -3.049 0.118 -4.731 2 HA GLN 9 HA GLN 9 -1.358 0.299 -7.139 3 HB2 GLN 9 HB2 GLN 9 -2.905 2.539 -5.838 4 HB3 GLN 9 HB3 GLN 9 -1.765 2.729 -7.172 5 HG2 GLN 9 HG2 GLN 9 -3.222 1.496 -8.630 6 HG3 GLN 9 HG3 GLN 9 -4.300 1.100 -7.291 7 HE21 GLN 9 HE21 GLN 9 -3.972 3.793 -6.139 8 HE22 GLN 9 HE22 GLN 9 -4.943 4.847 -7.118 No H/Q in entry = 8 In of MODEL 15 1 H VAL 10 H VAL 10 0.706 0.386 -6.509 2 HA VAL 10 HA VAL 10 1.275 1.906 -4.068 3 HB VAL 10 HB VAL 10 1.757 -0.064 -3.043 4 HG11 VAL 10 HG11 VAL 10 0.977 -1.348 -5.073 5 HG12 VAL 10 HG12 VAL 10 2.674 -1.435 -5.544 6 HG13 VAL 10 HG13 VAL 10 2.143 -2.142 -4.011 7 HG21 VAL 10 HG21 VAL 10 4.254 0.326 -4.686 8 HG22 VAL 10 HG22 VAL 10 3.897 1.021 -3.104 9 HG23 VAL 10 HG23 VAL 10 4.132 -0.719 -3.269 No H/Q in entry = 9 In of MODEL 15 1 H TYR 11 H TYR 11 2.796 3.279 -4.111 2 HA TYR 11 HA TYR 11 4.740 3.364 -6.300 3 HB2 TYR 11 HB2 TYR 11 3.243 5.893 -5.564 4 HB3 TYR 11 HB3 TYR 11 4.216 5.578 -6.986 5 HD1 TYR 11 HD1 TYR 11 0.894 5.604 -5.606 6 HD2 TYR 11 HD2 TYR 11 3.252 4.062 -8.792 7 HE1 TYR 11 HE1 TYR 11 -1.132 5.272 -6.917 8 HE2 TYR 11 HE2 TYR 11 1.211 3.686 -10.114 9 HH TYR 11 HH TYR 11 -1.180 3.421 -9.809 No H/Q in entry = 9 In of MODEL 15 1 H SER 12 H SER 12 6.338 5.293 -5.745 2 HA SER 12 HA SER 12 6.627 5.437 -2.840 3 HB2 SER 12 HB2 SER 12 8.639 4.886 -4.192 4 HB3 SER 12 HB3 SER 12 8.475 6.427 -5.029 5 HG SER 12 HG SER 12 9.813 6.010 -2.851 No H/Q in entry = 5 In of MODEL 15 1 H ARG 13 H ARG 13 6.493 7.370 -1.736 2 HA ARG 13 HA ARG 13 4.594 9.186 -2.797 3 HB2 ARG 13 HB2 ARG 13 5.023 8.609 -0.331 4 HB3 ARG 13 HB3 ARG 13 6.404 9.680 -0.416 5 HG2 ARG 13 HG2 ARG 13 3.616 10.659 -0.993 6 HG3 ARG 13 HG3 ARG 13 4.292 10.589 0.628 7 HD2 ARG 13 HD2 ARG 13 5.603 12.040 -1.656 8 HD3 ARG 13 HD3 ARG 13 4.509 12.799 -0.510 9 HE ARG 13 HE ARG 13 7.198 11.787 0.057 10 HH11 ARG 13 HH11 ARG 13 4.271 13.318 1.245 11 HH12 ARG 13 HH12 ARG 13 5.072 14.071 2.591 12 HH21 ARG 13 HH21 ARG 13 8.236 12.757 1.834 13 HH22 ARG 13 HH22 ARG 13 7.321 13.762 2.926 No H/Q in entry = 13 In of MODEL 15 1 H HIS 14 H HIS 14 8.080 9.458 -2.313 2 HA HIS 14 HA HIS 14 8.075 11.653 -4.269 3 HB2 HIS 14 HB2 HIS 14 9.594 11.347 -1.708 4 HB3 HIS 14 HB3 HIS 14 10.368 12.204 -3.037 5 HD2 HIS 14 HD2 HIS 14 6.953 13.306 -3.557 6 HE1 HIS 14 HE1 HIS 14 8.324 15.752 -0.390 7 HE2 HIS 14 HE2 HIS 14 6.429 15.327 -2.021 No H/Q in entry = 7 In of MODEL 15 1 HA PRO 15 HA PRO 15 11.242 9.509 -6.711 2 HB2 PRO 15 HB2 PRO 15 13.692 10.719 -6.052 3 HB3 PRO 15 HB3 PRO 15 12.626 11.167 -7.397 4 HG2 PRO 15 HG2 PRO 15 12.909 12.445 -4.689 5 HG3 PRO 15 HG3 PRO 15 12.519 13.190 -6.274 6 HD2 PRO 15 HD2 PRO 15 10.629 12.776 -4.387 7 HD3 PRO 15 HD3 PRO 15 10.269 12.620 -6.132 No H/Q in entry = 7 In of MODEL 15 1 H ALA 16 H ALA 16 12.293 7.644 -6.425 2 HA ALA 16 HA ALA 16 12.884 6.854 -3.687 3 HB1 ALA 16 HB1 ALA 16 11.371 5.460 -5.020 4 HB2 ALA 16 HB2 ALA 16 12.667 5.179 -6.182 5 HB3 ALA 16 HB3 ALA 16 12.818 4.579 -4.529 No H/Q in entry = 5 In of MODEL 15 1 H GLU 17 H GLU 17 14.910 6.723 -2.973 2 HA GLU 17 HA GLU 17 17.069 6.330 -4.926 3 HB2 GLU 17 HB2 GLU 17 16.990 8.655 -4.027 4 HB3 GLU 17 HB3 GLU 17 17.204 8.002 -2.406 5 HG2 GLU 17 HG2 GLU 17 19.311 8.804 -3.182 6 HG3 GLU 17 HG3 GLU 17 19.372 7.043 -3.147 No H/Q in entry = 6 In of MODEL 15 1 H ASN 18 H ASN 18 18.318 4.641 -4.540 2 HA ASN 18 HA ASN 18 17.852 2.988 -2.226 3 HB2 ASN 18 HB2 ASN 18 18.159 1.606 -4.018 4 HB3 ASN 18 HB3 ASN 18 19.281 2.702 -4.825 5 HD21 ASN 18 HD21 ASN 18 20.788 1.165 -5.304 6 HD22 ASN 18 HD22 ASN 18 21.746 0.362 -4.107 No H/Q in entry = 6 In of MODEL 15 1 H GLY 19 H GLY 19 19.021 2.849 -0.461 2 HA2 GLY 19 HA2 GLY 19 21.710 3.915 -0.281 3 HA3 GLY 19 HA3 GLY 19 20.776 3.157 1.021 No H/Q in entry = 3 In of MODEL 15 1 H LYS 20 H LYS 20 18.458 4.812 0.399 2 HA LYS 20 HA LYS 20 19.216 7.231 1.818 3 HB2 LYS 20 HB2 LYS 20 19.511 7.599 -0.661 4 HB3 LYS 20 HB3 LYS 20 17.789 7.311 -0.838 5 HG2 LYS 20 HG2 LYS 20 18.045 9.644 -0.824 6 HG3 LYS 20 HG3 LYS 20 17.393 9.214 0.763 7 HD2 LYS 20 HD2 LYS 20 19.793 9.251 1.608 8 HD3 LYS 20 HD3 LYS 20 20.230 9.973 0.066 9 HE2 LYS 20 HE2 LYS 20 18.693 11.866 0.535 10 HE3 LYS 20 HE3 LYS 20 18.315 11.148 2.103 11 HZ1 LYS 20 HZ1 LYS 20 21.005 12.044 1.220 12 HZ2 LYS 20 HZ2 LYS 20 19.982 12.884 2.282 13 HZ3 LYS 20 HZ3 LYS 20 20.628 11.384 2.737 No H/Q in entry = 13 In of MODEL 15 1 H SER 21 H SER 21 17.519 8.106 2.943 2 HA SER 21 HA SER 21 15.314 6.495 3.537 3 HB2 SER 21 HB2 SER 21 14.545 8.453 4.821 4 HB3 SER 21 HB3 SER 21 16.263 8.140 5.066 5 HG SER 21 HG SER 21 15.514 9.901 3.037 No H/Q in entry = 5 In of MODEL 15 1 H ASN 22 H ASN 22 13.328 6.390 2.792 2 HA ASN 22 HA ASN 22 12.363 8.305 0.778 3 HB2 ASN 22 HB2 ASN 22 13.551 6.197 -0.261 4 HB3 ASN 22 HB3 ASN 22 12.185 5.301 0.375 5 HD21 ASN 22 HD21 ASN 22 11.721 8.558 -0.857 6 HD22 ASN 22 HD22 ASN 22 10.884 8.063 -2.291 No H/Q in entry = 6 In of MODEL 15 1 H PHE 23 H PHE 23 9.943 7.839 0.362 2 HA PHE 23 HA PHE 23 8.727 6.719 2.800 3 HB2 PHE 23 HB2 PHE 23 7.956 9.236 1.319 4 HB3 PHE 23 HB3 PHE 23 6.900 8.450 2.475 5 HD1 PHE 23 HD1 PHE 23 10.570 9.000 2.777 6 HD2 PHE 23 HD2 PHE 23 6.674 10.078 4.100 7 HE1 PHE 23 HE1 PHE 23 11.562 10.371 4.561 8 HE2 PHE 23 HE2 PHE 23 7.656 11.458 5.888 9 HZ PHE 23 HZ PHE 23 10.104 11.599 6.124 No H/Q in entry = 9 In of MODEL 15 1 H LEU 24 H LEU 24 7.244 5.160 2.406 2 HA LEU 24 HA LEU 24 6.749 4.434 -0.362 3 HB2 LEU 24 HB2 LEU 24 7.066 3.039 2.020 4 HB3 LEU 24 HB3 LEU 24 5.364 2.857 1.657 5 HG LEU 24 HG LEU 24 7.705 1.976 -0.065 6 HD11 LEU 24 HD11 LEU 24 7.206 0.532 1.842 7 HD12 LEU 24 HD12 LEU 24 5.519 0.437 1.339 8 HD13 LEU 24 HD13 LEU 24 6.780 -0.260 0.323 9 HD21 LEU 24 HD21 LEU 24 4.745 1.870 -0.684 10 HD22 LEU 24 HD22 LEU 24 5.980 2.771 -1.567 11 HD23 LEU 24 HD23 LEU 24 5.995 1.010 -1.577 No H/Q in entry = 11 In of MODEL 15 1 H ASN 25 H ASN 25 4.624 3.941 -1.132 2 HA ASN 25 HA ASN 25 2.387 4.961 0.424 3 HB2 ASN 25 HB2 ASN 25 2.936 6.856 -0.958 4 HB3 ASN 25 HB3 ASN 25 3.055 5.845 -2.398 5 HD21 ASN 25 HD21 ASN 25 0.977 7.459 -0.169 6 HD22 ASN 25 HD22 ASN 25 -0.489 7.257 -1.070 No H/Q in entry = 6 In of MODEL 15 1 H CYS 26 H CYS 26 0.952 3.374 0.526 2 HA CYS 26 HA CYS 26 0.584 1.640 -1.812 3 HB2 CYS 26 HB2 CYS 26 0.358 0.752 1.055 4 HB3 CYS 26 HB3 CYS 26 0.226 -0.270 -0.363 No H/Q in entry = 4 In of MODEL 15 1 H TYR 27 H TYR 27 -1.405 1.750 -2.561 2 HA TYR 27 HA TYR 27 -3.365 3.232 -0.937 3 HB2 TYR 27 HB2 TYR 27 -2.019 4.062 -3.306 4 HB3 TYR 27 HB3 TYR 27 -3.693 3.758 -3.736 5 HD1 TYR 27 HD1 TYR 27 -5.467 4.907 -2.046 6 HD2 TYR 27 HD2 TYR 27 -1.437 6.167 -2.615 7 HE1 TYR 27 HE1 TYR 27 -6.067 7.172 -1.301 8 HE2 TYR 27 HE2 TYR 27 -2.029 8.420 -1.845 9 HH TYR 27 HH TYR 27 -4.944 9.130 -0.293 No H/Q in entry = 9 In of MODEL 15 1 H VAL 28 H VAL 28 -4.976 1.869 -0.580 2 HA VAL 28 HA VAL 28 -5.831 0.145 -2.783 3 HB VAL 28 HB VAL 28 -6.987 -0.036 -0.027 4 HG11 VAL 28 HG11 VAL 28 -6.436 -2.017 -2.225 5 HG12 VAL 28 HG12 VAL 28 -7.148 -2.427 -0.661 6 HG13 VAL 28 HG13 VAL 28 -8.009 -1.363 -1.779 7 HG21 VAL 28 HG21 VAL 28 -4.351 -1.184 -0.922 8 HG22 VAL 28 HG22 VAL 28 -4.613 -0.022 0.385 9 HG23 VAL 28 HG23 VAL 28 -5.215 -1.673 0.541 No H/Q in entry = 9 In of MODEL 15 1 H SER 29 H SER 29 -7.968 0.340 -3.575 2 HA SER 29 HA SER 29 -8.708 3.156 -3.333 3 HB2 SER 29 HB2 SER 29 -9.719 2.560 -5.715 4 HB3 SER 29 HB3 SER 29 -8.015 2.958 -5.486 5 HG SER 29 HG SER 29 -7.577 0.709 -5.410 No H/Q in entry = 5 In of MODEL 15 1 H GLY 30 H GLY 30 -11.048 3.339 -4.644 2 HA2 GLY 30 HA2 GLY 30 -13.240 3.552 -4.045 3 HA3 GLY 30 HA3 GLY 30 -12.636 3.341 -2.410 No H/Q in entry = 3 In of MODEL 15 1 H PHE 31 H PHE 31 -13.368 1.780 -1.308 2 HA PHE 31 HA PHE 31 -14.695 -0.511 -2.607 3 HB2 PHE 31 HB2 PHE 31 -13.740 -1.954 -0.827 4 HB3 PHE 31 HB3 PHE 31 -12.462 -1.177 -1.785 5 HD1 PHE 31 HD1 PHE 31 -14.278 -1.056 1.431 6 HD2 PHE 31 HD2 PHE 31 -10.925 0.309 -0.792 7 HE1 PHE 31 HE1 PHE 31 -13.312 -0.098 3.471 8 HE2 PHE 31 HE2 PHE 31 -9.969 1.257 1.259 9 HZ PHE 31 HZ PHE 31 -11.157 1.077 3.376 No H/Q in entry = 9 In of MODEL 15 1 H HIS 32 H HIS 32 -15.778 -1.805 -0.613 2 HA HIS 32 HA HIS 32 -16.882 0.046 1.385 3 HB2 HIS 32 HB2 HIS 32 -18.709 -1.973 0.004 4 HB3 HIS 32 HB3 HIS 32 -19.141 -0.766 1.199 5 HD2 HIS 32 HD2 HIS 32 -17.832 -0.710 -2.526 6 HE1 HIS 32 HE1 HIS 32 -20.406 2.568 -1.801 7 HE2 HIS 32 HE2 HIS 32 -19.218 1.209 -3.587 No H/Q in entry = 7 In of MODEL 15 1 HA PRO 33 HA PRO 33 -19.044 -0.895 2.969 2 HB2 PRO 33 HB2 PRO 33 -18.029 -1.068 5.738 3 HB3 PRO 33 HB3 PRO 33 -19.650 -1.376 5.109 4 HG2 PRO 33 HG2 PRO 33 -18.085 -3.382 5.899 5 HG3 PRO 33 HG3 PRO 33 -19.138 -3.544 4.482 6 HD2 PRO 33 HD2 PRO 33 -16.191 -3.010 4.600 7 HD3 PRO 33 HD3 PRO 33 -17.093 -4.110 3.533 No H/Q in entry = 7 In of MODEL 15 1 H SER 34 H SER 34 -16.269 -0.258 5.273 2 HA SER 34 HA SER 34 -15.706 2.193 3.854 3 HB2 SER 34 HB2 SER 34 -15.833 3.484 6.002 4 HB3 SER 34 HB3 SER 34 -17.413 2.919 5.450 5 HG SER 34 HG SER 34 -15.789 1.682 7.441 No H/Q in entry = 5 In of MODEL 15 1 H ASP 35 H ASP 35 -14.671 -0.580 4.886 2 HA ASP 35 HA ASP 35 -12.128 0.365 5.969 3 HB2 ASP 35 HB2 ASP 35 -13.897 -1.629 7.392 4 HB3 ASP 35 HB3 ASP 35 -12.209 -1.335 7.798 No H/Q in entry = 4 In of MODEL 15 1 H ILE 36 H ILE 36 -10.435 -0.757 5.265 2 HA ILE 36 HA ILE 36 -10.715 -3.578 4.496 3 HB ILE 36 HB ILE 36 -10.625 -2.034 2.406 4 HG12 ILE 36 HG12 ILE 36 -8.806 -4.353 2.985 5 HG13 ILE 36 HG13 ILE 36 -10.242 -4.297 1.972 6 HG21 ILE 36 HG21 ILE 36 -7.766 -1.804 3.348 7 HG22 ILE 36 HG22 ILE 36 -8.360 -1.301 1.764 8 HG23 ILE 36 HG23 ILE 36 -8.923 -0.479 3.217 9 HD11 ILE 36 HD11 ILE 36 -7.580 -3.056 1.299 10 HD12 ILE 36 HD12 ILE 36 -8.196 -4.579 0.661 11 HD13 ILE 36 HD13 ILE 36 -9.010 -3.064 0.267 No H/Q in entry = 11 In of MODEL 15 1 H GLU 37 H GLU 37 -8.602 -4.745 4.782 2 HA GLU 37 HA GLU 37 -6.818 -3.212 6.520 3 HB2 GLU 37 HB2 GLU 37 -8.139 -5.283 7.380 4 HB3 GLU 37 HB3 GLU 37 -6.990 -6.203 6.414 5 HG2 GLU 37 HG2 GLU 37 -6.361 -6.015 8.803 6 HG3 GLU 37 HG3 GLU 37 -5.145 -5.361 7.701 No H/Q in entry = 6 In of MODEL 15 1 H VAL 38 H VAL 38 -4.888 -2.836 5.709 2 HA VAL 38 HA VAL 38 -3.813 -4.625 3.674 3 HB VAL 38 HB VAL 38 -4.226 -3.193 2.032 4 HG11 VAL 38 HG11 VAL 38 -5.962 -2.153 3.355 5 HG12 VAL 38 HG12 VAL 38 -4.787 -1.033 4.045 6 HG13 VAL 38 HG13 VAL 38 -5.156 -0.973 2.318 7 HG21 VAL 38 HG21 VAL 38 -2.271 -1.392 3.449 8 HG22 VAL 38 HG22 VAL 38 -1.903 -2.607 2.229 9 HG23 VAL 38 HG23 VAL 38 -2.825 -1.164 1.787 No H/Q in entry = 9 In of MODEL 15 1 H ASP 39 H ASP 39 -1.665 -4.900 3.721 2 HA ASP 39 HA ASP 39 -0.189 -3.485 5.851 3 HB2 ASP 39 HB2 ASP 39 0.200 -5.360 7.041 4 HB3 ASP 39 HB3 ASP 39 -1.090 -6.080 6.100 No H/Q in entry = 4 In of MODEL 15 1 H LEU 40 H LEU 40 2.143 -3.545 5.635 2 HA LEU 40 HA LEU 40 2.920 -3.802 2.817 3 HB2 LEU 40 HB2 LEU 40 4.346 -2.155 4.884 4 HB3 LEU 40 HB3 LEU 40 4.541 -2.097 3.140 5 HG LEU 40 HG LEU 40 2.226 -1.112 4.778 6 HD11 LEU 40 HD11 LEU 40 4.079 0.223 2.826 7 HD12 LEU 40 HD12 LEU 40 2.708 0.993 3.621 8 HD13 LEU 40 HD13 LEU 40 4.075 0.416 4.583 9 HD21 LEU 40 HD21 LEU 40 1.319 -2.314 2.868 10 HD22 LEU 40 HD22 LEU 40 1.087 -0.581 2.711 11 HD23 LEU 40 HD23 LEU 40 2.346 -1.376 1.782 No H/Q in entry = 11 In of MODEL 15 1 H LEU 41 H LEU 41 4.738 -4.827 2.216 2 HA LEU 41 HA LEU 41 5.890 -6.609 4.245 3 HB2 LEU 41 HB2 LEU 41 5.642 -7.285 1.346 4 HB3 LEU 41 HB3 LEU 41 5.930 -8.354 2.686 5 HG LEU 41 HG LEU 41 3.334 -6.885 2.317 6 HD11 LEU 41 HD11 LEU 41 4.081 -9.682 1.476 7 HD12 LEU 41 HD12 LEU 41 2.452 -9.005 1.453 8 HD13 LEU 41 HD13 LEU 41 3.698 -8.334 0.403 9 HD21 LEU 41 HD21 LEU 41 4.148 -9.241 4.011 10 HD22 LEU 41 HD22 LEU 41 3.800 -7.613 4.586 11 HD23 LEU 41 HD23 LEU 41 2.515 -8.592 3.879 No H/Q in entry = 11 In of MODEL 15 1 H LYS 42 H LYS 42 7.723 -7.818 3.190 2 HA LYS 42 HA LYS 42 9.634 -6.251 1.706 3 HB2 LYS 42 HB2 LYS 42 10.111 -7.002 4.582 4 HB3 LYS 42 HB3 LYS 42 11.433 -6.710 3.467 5 HG2 LYS 42 HG2 LYS 42 10.870 -4.460 3.215 6 HG3 LYS 42 HG3 LYS 42 9.270 -4.686 3.929 7 HD2 LYS 42 HD2 LYS 42 11.929 -4.924 5.348 8 HD3 LYS 42 HD3 LYS 42 10.783 -3.589 5.504 9 HE2 LYS 42 HE2 LYS 42 9.110 -5.150 6.411 10 HE3 LYS 42 HE3 LYS 42 10.278 -6.463 6.282 11 HZ1 LYS 42 HZ1 LYS 42 10.667 -4.030 7.938 12 HZ2 LYS 42 HZ2 LYS 42 10.108 -5.513 8.534 13 HZ3 LYS 42 HZ3 LYS 42 11.671 -5.393 7.887 No H/Q in entry = 13 In of MODEL 15 1 H ASN 43 H ASN 43 9.814 -7.793 0.168 2 HA ASN 43 HA ASN 43 10.253 -9.754 -0.874 3 HB2 ASN 43 HB2 ASN 43 11.887 -10.047 1.609 4 HB3 ASN 43 HB3 ASN 43 11.714 -11.433 0.535 5 HD21 ASN 43 HD21 ASN 43 13.029 -8.224 0.901 6 HD22 ASN 43 HD22 ASN 43 14.035 -8.278 -0.508 No H/Q in entry = 6 In of MODEL 15 1 H GLY 44 H GLY 44 8.527 -9.801 2.044 2 HA2 GLY 44 HA2 GLY 44 7.699 -12.574 1.823 3 HA3 GLY 44 HA3 GLY 44 6.486 -11.378 1.363 No H/Q in entry = 3 In of MODEL 15 1 H GLU 45 H GLU 45 8.346 -9.958 3.677 2 HA GLU 45 HA GLU 45 6.864 -11.111 5.932 3 HB2 GLU 45 HB2 GLU 45 9.417 -9.530 5.892 4 HB3 GLU 45 HB3 GLU 45 8.768 -10.445 7.252 5 HG2 GLU 45 HG2 GLU 45 9.608 -11.628 4.633 6 HG3 GLU 45 HG3 GLU 45 10.641 -11.516 6.036 No H/Q in entry = 6 In of MODEL 15 1 H ARG 46 H ARG 46 5.816 -9.737 7.391 2 HA ARG 46 HA ARG 46 4.869 -7.301 6.360 3 HB2 ARG 46 HB2 ARG 46 3.601 -8.724 7.943 4 HB3 ARG 46 HB3 ARG 46 4.751 -8.284 9.210 5 HG2 ARG 46 HG2 ARG 46 4.104 -5.927 8.979 6 HG3 ARG 46 HG3 ARG 46 2.976 -6.354 7.704 7 HD2 ARG 46 HD2 ARG 46 1.492 -7.386 9.199 8 HD3 ARG 46 HD3 ARG 46 2.725 -7.524 10.464 9 HE ARG 46 HE ARG 46 2.354 -4.815 9.874 10 HH11 ARG 46 HH11 ARG 46 0.541 -7.465 11.293 11 HH12 ARG 46 HH12 ARG 46 -0.363 -6.425 12.348 12 HH21 ARG 46 HH21 ARG 46 1.163 -3.466 11.265 13 HH22 ARG 46 HH22 ARG 46 -0.017 -4.165 12.341 No H/Q in entry = 13 In of MODEL 15 1 H ILE 47 H ILE 47 5.257 -5.225 6.853 2 HA ILE 47 HA ILE 47 7.689 -4.526 8.317 3 HB ILE 47 HB ILE 47 5.778 -2.802 6.726 4 HG12 ILE 47 HG12 ILE 47 8.513 -3.750 5.925 5 HG13 ILE 47 HG13 ILE 47 7.033 -4.556 5.411 6 HG21 ILE 47 HG21 ILE 47 7.003 -1.549 8.418 7 HG22 ILE 47 HG22 ILE 47 8.528 -2.208 7.820 8 HG23 ILE 47 HG23 ILE 47 7.572 -1.131 6.801 9 HD11 ILE 47 HD11 ILE 47 7.762 -1.696 4.831 10 HD12 ILE 47 HD12 ILE 47 7.874 -3.049 3.703 11 HD13 ILE 47 HD13 ILE 47 6.301 -2.525 4.301 No H/Q in entry = 11 In of MODEL 15 1 H GLU 48 H GLU 48 7.600 -3.315 10.228 2 HA GLU 48 HA GLU 48 5.026 -3.344 11.522 3 HB2 GLU 48 HB2 GLU 48 6.668 -2.556 13.464 4 HB3 GLU 48 HB3 GLU 48 6.496 -4.240 13.004 5 HG2 GLU 48 HG2 GLU 48 8.630 -2.481 11.864 6 HG3 GLU 48 HG3 GLU 48 8.847 -3.361 13.360 No H/Q in entry = 6 In of MODEL 15 1 H LYS 49 H LYS 49 7.568 -0.908 10.804 2 HA LYS 49 HA LYS 49 6.421 1.270 12.015 3 HB2 LYS 49 HB2 LYS 49 8.048 1.194 9.489 4 HB3 LYS 49 HB3 LYS 49 7.778 2.618 10.492 5 HG2 LYS 49 HG2 LYS 49 8.862 1.509 12.352 6 HG3 LYS 49 HG3 LYS 49 9.123 0.100 11.363 7 HD2 LYS 49 HD2 LYS 49 10.231 2.821 10.742 8 HD3 LYS 49 HD3 LYS 49 11.125 1.525 11.541 9 HE2 LYS 49 HE2 LYS 49 10.868 0.097 9.613 10 HE3 LYS 49 HE3 LYS 49 9.867 1.312 8.815 11 HZ1 LYS 49 HZ1 LYS 49 11.769 2.809 8.788 12 HZ2 LYS 49 HZ2 LYS 49 12.732 1.634 9.542 13 HZ3 LYS 49 HZ3 LYS 49 12.127 1.363 7.982 No H/Q in entry = 13 In of MODEL 15 1 H VAL 50 H VAL 50 5.021 -0.392 9.473 2 HA VAL 50 HA VAL 50 3.965 1.609 7.861 3 HB VAL 50 HB VAL 50 2.566 -0.928 8.681 4 HG11 VAL 50 HG11 VAL 50 1.172 0.827 7.582 5 HG12 VAL 50 HG12 VAL 50 2.247 0.734 6.186 6 HG13 VAL 50 HG13 VAL 50 1.296 -0.676 6.658 7 HG21 VAL 50 HG21 VAL 50 4.813 -1.358 7.808 8 HG22 VAL 50 HG22 VAL 50 3.566 -1.915 6.695 9 HG23 VAL 50 HG23 VAL 50 4.430 -0.416 6.366 No H/Q in entry = 9 In of MODEL 15 1 H GLU 51 H GLU 51 2.531 3.143 8.142 2 HA GLU 51 HA GLU 51 0.616 2.917 10.357 3 HB2 GLU 51 HB2 GLU 51 2.058 5.432 9.499 4 HB3 GLU 51 HB3 GLU 51 0.789 5.343 10.711 5 HG2 GLU 51 HG2 GLU 51 2.247 3.895 12.078 6 HG3 GLU 51 HG3 GLU 51 3.529 4.119 10.883 No H/Q in entry = 6 In of MODEL 15 1 H HIS 52 H HIS 52 -1.378 3.659 9.953 2 HA HIS 52 HA HIS 52 -1.913 4.732 7.271 3 HB2 HIS 52 HB2 HIS 52 -4.264 4.020 7.580 4 HB3 HIS 52 HB3 HIS 52 -3.127 2.678 7.605 5 HD2 HIS 52 HD2 HIS 52 -2.517 1.904 10.435 6 HE1 HIS 52 HE1 HIS 52 -6.459 2.947 11.549 7 HE2 HIS 52 HE2 HIS 52 -4.289 1.907 12.329 No H/Q in entry = 7 In of MODEL 15 1 H SER 53 H SER 53 -2.602 6.752 7.107 2 HA SER 53 HA SER 53 -2.927 8.289 9.546 3 HB2 SER 53 HB2 SER 53 -1.495 9.022 7.565 4 HB3 SER 53 HB3 SER 53 -3.004 9.343 6.714 5 HG SER 53 HG SER 53 -2.224 11.222 7.740 No H/Q in entry = 5 In of MODEL 15 1 H ASP 54 H ASP 54 -4.583 10.333 8.542 2 HA ASP 54 HA ASP 54 -7.083 9.628 9.389 3 HB2 ASP 54 HB2 ASP 54 -6.553 11.935 9.114 4 HB3 ASP 54 HB3 ASP 54 -6.232 11.727 7.397 No H/Q in entry = 4 In of MODEL 15 1 H LEU 55 H LEU 55 -8.705 8.501 8.682 2 HA LEU 55 HA LEU 55 -8.596 6.593 6.768 3 HB2 LEU 55 HB2 LEU 55 -10.349 7.031 8.617 4 HB3 LEU 55 HB3 LEU 55 -11.209 7.943 7.400 5 HG LEU 55 HG LEU 55 -12.034 5.611 7.764 6 HD11 LEU 55 HD11 LEU 55 -12.477 6.833 5.682 7 HD12 LEU 55 HD12 LEU 55 -11.017 6.134 4.983 8 HD13 LEU 55 HD13 LEU 55 -12.365 5.088 5.441 9 HD21 LEU 55 HD21 LEU 55 -9.414 4.866 6.488 10 HD22 LEU 55 HD22 LEU 55 -9.917 4.507 8.141 11 HD23 LEU 55 HD23 LEU 55 -10.763 3.768 6.779 No H/Q in entry = 11 In of MODEL 15 1 H SER 56 H SER 56 -10.847 9.272 6.240 2 HA SER 56 HA SER 56 -9.943 10.205 3.791 3 HB2 SER 56 HB2 SER 56 -10.379 7.836 3.036 4 HB3 SER 56 HB3 SER 56 -12.075 8.063 3.447 5 HG SER 56 HG SER 56 -12.355 9.218 1.698 No H/Q in entry = 5 In of MODEL 15 1 H PHE 57 H PHE 57 -12.076 11.006 2.489 2 HA PHE 57 HA PHE 57 -14.135 11.775 4.423 3 HB2 PHE 57 HB2 PHE 57 -14.198 14.045 3.561 4 HB3 PHE 57 HB3 PHE 57 -12.568 13.689 4.116 5 HD1 PHE 57 HD1 PHE 57 -10.817 13.087 2.369 6 HD2 PHE 57 HD2 PHE 57 -14.597 14.788 1.394 7 HE1 PHE 57 HE1 PHE 57 -9.931 13.800 0.187 8 HE2 PHE 57 HE2 PHE 57 -13.717 15.499 -0.790 9 HZ PHE 57 HZ PHE 57 -11.383 15.004 -1.396 No H/Q in entry = 9 In of MODEL 15 1 H SER 58 H SER 58 -16.200 11.885 3.555 2 HA SER 58 HA SER 58 -16.658 10.363 1.202 3 HB2 SER 58 HB2 SER 58 -19.073 11.273 1.632 4 HB3 SER 58 HB3 SER 58 -18.355 10.149 2.787 5 HG SER 58 HG SER 58 -19.058 11.746 4.060 No H/Q in entry = 5 In of MODEL 15 1 H LYS 59 H LYS 59 -17.418 11.065 -0.833 2 HA LYS 59 HA LYS 59 -17.438 13.914 -1.325 3 HB2 LYS 59 HB2 LYS 59 -15.021 13.097 -1.487 4 HB3 LYS 59 HB3 LYS 59 -15.529 12.217 -2.924 5 HG2 LYS 59 HG2 LYS 59 -16.281 14.341 -3.920 6 HG3 LYS 59 HG3 LYS 59 -15.664 15.189 -2.502 7 HD2 LYS 59 HD2 LYS 59 -13.409 14.333 -2.996 8 HD3 LYS 59 HD3 LYS 59 -14.043 13.528 -4.433 9 HE2 LYS 59 HE2 LYS 59 -13.932 16.499 -3.900 10 HE3 LYS 59 HE3 LYS 59 -13.014 15.595 -5.100 11 HZ1 LYS 59 HZ1 LYS 59 -15.959 15.550 -5.187 12 HZ2 LYS 59 HZ2 LYS 59 -15.121 16.885 -5.809 13 HZ3 LYS 59 HZ3 LYS 59 -14.847 15.340 -6.444 No H/Q in entry = 13 In of MODEL 15 1 H ASP 60 H ASP 60 -16.829 11.299 -3.678 2 HA ASP 60 HA ASP 60 -19.556 11.648 -4.664 3 HB2 ASP 60 HB2 ASP 60 -17.044 11.973 -6.317 4 HB3 ASP 60 HB3 ASP 60 -18.655 11.792 -7.001 No H/Q in entry = 4 In of MODEL 15 1 H TRP 61 H TRP 61 -16.504 10.011 -5.494 2 HA TRP 61 HA TRP 61 -17.831 7.727 -6.538 3 HB2 TRP 61 HB2 TRP 61 -14.930 8.141 -5.787 4 HB3 TRP 61 HB3 TRP 61 -15.546 6.754 -6.676 5 HD1 TRP 61 HD1 TRP 61 -16.098 7.083 -9.236 6 HE1 TRP 61 HE1 TRP 61 -15.533 8.941 -10.929 7 HE3 TRP 61 HE3 TRP 61 -14.639 10.726 -5.961 8 HZ2 TRP 61 HZ2 TRP 61 -14.594 11.604 -10.870 9 HZ3 TRP 61 HZ3 TRP 61 -13.918 12.901 -6.842 10 HH2 TRP 61 HH2 TRP 61 -13.896 13.335 -9.279 No H/Q in entry = 10 In of MODEL 15 1 H SER 62 H SER 62 -15.409 7.739 -3.953 2 HA SER 62 HA SER 62 -17.063 6.439 -2.041 3 HB2 SER 62 HB2 SER 62 -16.654 4.526 -3.642 4 HB3 SER 62 HB3 SER 62 -14.917 4.732 -3.374 5 HG SER 62 HG SER 62 -16.634 3.317 -1.933 No H/Q in entry = 5 In of MODEL 15 1 H PHE 63 H PHE 63 -14.994 5.120 -0.650 2 HA PHE 63 HA PHE 63 -13.375 7.450 0.150 3 HB2 PHE 63 HB2 PHE 63 -13.896 5.026 1.865 4 HB3 PHE 63 HB3 PHE 63 -13.425 6.642 2.372 5 HD1 PHE 63 HD1 PHE 63 -15.055 8.246 2.967 6 HD2 PHE 63 HD2 PHE 63 -16.237 4.652 1.006 7 HE1 PHE 63 HE1 PHE 63 -17.420 8.753 3.460 8 HE2 PHE 63 HE2 PHE 63 -18.597 5.156 1.494 9 HZ PHE 63 HZ PHE 63 -19.186 7.208 2.720 No H/Q in entry = 9 In of MODEL 15 1 H TYR 64 H TYR 64 -11.173 7.144 0.606 2 HA TYR 64 HA TYR 64 -10.044 4.631 -0.432 3 HB2 TYR 64 HB2 TYR 64 -8.460 7.150 -0.641 4 HB3 TYR 64 HB3 TYR 64 -8.504 5.757 -1.726 5 HD1 TYR 64 HD1 TYR 64 -10.267 5.585 -3.448 6 HD2 TYR 64 HD2 TYR 64 -9.971 8.991 -0.916 7 HE1 TYR 64 HE1 TYR 64 -11.752 6.838 -4.964 8 HE2 TYR 64 HE2 TYR 64 -11.449 10.249 -2.416 9 HH TYR 64 HH TYR 64 -12.175 10.228 -4.718 No H/Q in entry = 9 In of MODEL 15 1 H LEU 65 H LEU 65 -8.156 3.849 0.701 2 HA LEU 65 HA LEU 65 -7.524 5.333 3.164 3 HB2 LEU 65 HB2 LEU 65 -8.925 3.702 4.002 4 HB3 LEU 65 HB3 LEU 65 -8.369 2.480 2.874 5 HG LEU 65 HG LEU 65 -6.431 3.422 4.929 6 HD11 LEU 65 HD11 LEU 65 -8.635 3.187 6.081 7 HD12 LEU 65 HD12 LEU 65 -8.645 1.497 5.579 8 HD13 LEU 65 HD13 LEU 65 -7.379 2.097 6.652 9 HD21 LEU 65 HD21 LEU 65 -5.881 1.720 3.219 10 HD22 LEU 65 HD22 LEU 65 -5.775 1.102 4.867 11 HD23 LEU 65 HD23 LEU 65 -7.168 0.699 3.864 No H/Q in entry = 11 In of MODEL 15 1 H LEU 66 H LEU 66 -5.432 5.458 3.772 2 HA LEU 66 HA LEU 66 -3.499 4.476 1.790 3 HB2 LEU 66 HB2 LEU 66 -4.033 7.027 2.532 4 HB3 LEU 66 HB3 LEU 66 -2.808 6.623 3.695 5 HG LEU 66 HG LEU 66 -2.435 6.514 0.711 6 HD11 LEU 66 HD11 LEU 66 -1.535 8.526 2.775 7 HD12 LEU 66 HD12 LEU 66 -0.978 8.495 1.106 8 HD13 LEU 66 HD13 LEU 66 -2.678 8.802 1.463 9 HD21 LEU 66 HD21 LEU 66 -0.440 6.167 2.940 10 HD22 LEU 66 HD22 LEU 66 -0.994 4.916 1.830 11 HD23 LEU 66 HD23 LEU 66 -0.049 6.280 1.221 No H/Q in entry = 11 In of MODEL 15 1 H TYR 67 H TYR 67 -1.830 3.262 2.431 2 HA TYR 67 HA TYR 67 -1.131 3.125 5.287 3 HB2 TYR 67 HB2 TYR 67 -1.858 0.925 3.467 4 HB3 TYR 67 HB3 TYR 67 -0.424 0.669 4.445 5 HD1 TYR 67 HD1 TYR 67 -0.578 0.573 6.898 6 HD2 TYR 67 HD2 TYR 67 -4.055 0.867 4.450 7 HE1 TYR 67 HE1 TYR 67 -1.962 -0.237 8.773 8 HE2 TYR 67 HE2 TYR 67 -5.425 0.050 6.320 9 HH TYR 67 HH TYR 67 -4.922 -1.453 8.462 No H/Q in entry = 9 In of MODEL 15 1 H TYR 68 H TYR 68 0.882 3.792 5.569 2 HA TYR 68 HA TYR 68 2.833 3.287 3.423 3 HB2 TYR 68 HB2 TYR 68 3.654 5.608 3.514 4 HB3 TYR 68 HB3 TYR 68 1.964 5.542 3.002 5 HD1 TYR 68 HD1 TYR 68 4.299 6.719 5.523 6 HD2 TYR 68 HD2 TYR 68 0.181 6.271 4.562 7 HE1 TYR 68 HE1 TYR 68 3.718 8.342 7.276 8 HE2 TYR 68 HE2 TYR 68 -0.411 7.901 6.305 9 HH TYR 68 HH TYR 68 1.804 9.933 7.759 No H/Q in entry = 9 In of MODEL 15 1 H THR 69 H THR 69 5.079 3.778 4.056 2 HA THR 69 HA THR 69 5.647 3.855 6.908 3 HB THR 69 HB THR 69 5.298 1.447 6.494 4 HG1 THR 69 HG1 THR 69 7.998 1.296 6.755 5 HG21 THR 69 HG21 THR 69 7.498 1.776 4.452 6 HG22 THR 69 HG22 THR 69 6.909 0.222 5.046 7 HG23 THR 69 HG23 THR 69 5.828 1.290 4.146 No H/Q in entry = 7 In of MODEL 15 1 H GLU 70 H GLU 70 7.679 4.700 7.316 2 HA GLU 70 HA GLU 70 9.196 5.697 5.094 3 HB2 GLU 70 HB2 GLU 70 9.892 5.722 8.037 4 HB3 GLU 70 HB3 GLU 70 10.568 6.750 6.784 5 HG2 GLU 70 HG2 GLU 70 8.304 7.639 6.400 6 HG3 GLU 70 HG3 GLU 70 7.773 6.743 7.815 No H/Q in entry = 6 In of MODEL 15 1 H PHE 71 H PHE 71 11.062 4.916 4.319 2 HA PHE 71 HA PHE 71 12.264 2.650 5.624 3 HB2 PHE 71 HB2 PHE 71 12.087 1.136 3.697 4 HB3 PHE 71 HB3 PHE 71 10.500 1.566 4.315 5 HD1 PHE 71 HD1 PHE 71 11.258 0.406 1.592 6 HD2 PHE 71 HD2 PHE 71 10.549 4.372 2.920 7 HE1 PHE 71 HE1 PHE 71 10.545 1.029 -0.684 8 HE2 PHE 71 HE2 PHE 71 9.845 5.013 0.645 9 HZ PHE 71 HZ PHE 71 9.853 3.346 -1.170 No H/Q in entry = 9 In of MODEL 15 1 H THR 72 H THR 72 14.308 1.978 4.623 2 HA THR 72 HA THR 72 15.459 4.006 2.837 3 HB THR 72 HB THR 72 16.976 2.224 4.754 4 HG1 THR 72 HG1 THR 72 15.531 4.424 5.260 5 HG21 THR 72 HG21 THR 72 18.291 3.003 2.835 6 HG22 THR 72 HG22 THR 72 17.828 4.670 3.188 7 HG23 THR 72 HG23 THR 72 18.832 3.772 4.326 No H/Q in entry = 7 In of MODEL 15 1 HA PRO 73 HA PRO 73 15.027 0.142 0.267 2 HB2 PRO 73 HB2 PRO 73 15.593 1.664 -2.032 3 HB3 PRO 73 HB3 PRO 73 13.973 1.238 -1.444 4 HG2 PRO 73 HG2 PRO 73 15.538 3.753 -1.083 5 HG3 PRO 73 HG3 PRO 73 13.790 3.545 -1.314 6 HD2 PRO 73 HD2 PRO 73 14.809 4.108 1.097 7 HD3 PRO 73 HD3 PRO 73 13.440 2.982 0.918 No H/Q in entry = 7 In of MODEL 15 1 H THR 74 H THR 74 16.517 -1.101 -0.711 2 HA THR 74 HA THR 74 19.185 -0.002 -1.177 3 HB THR 74 HB THR 74 20.303 -1.887 -0.128 4 HG1 THR 74 HG1 THR 74 17.776 -2.815 0.775 5 HG21 THR 74 HG21 THR 74 19.747 -0.017 1.361 6 HG22 THR 74 HG22 THR 74 18.212 -0.791 1.756 7 HG23 THR 74 HG23 THR 74 19.732 -1.555 2.227 No H/Q in entry = 7 In of MODEL 15 1 H GLU 75 H GLU 75 20.504 -1.637 -2.473 2 HA GLU 75 HA GLU 75 19.130 -2.430 -4.765 3 HB2 GLU 75 HB2 GLU 75 21.705 -2.169 -4.170 4 HB3 GLU 75 HB3 GLU 75 21.596 -3.900 -3.968 5 HG2 GLU 75 HG2 GLU 75 22.258 -3.701 -6.135 6 HG3 GLU 75 HG3 GLU 75 20.515 -3.818 -6.289 No H/Q in entry = 6 In of MODEL 15 1 H LYS 76 H LYS 76 19.825 -4.156 -1.822 2 HA LYS 76 HA LYS 76 19.275 -6.734 -2.916 3 HB2 LYS 76 HB2 LYS 76 20.066 -5.797 -0.161 4 HB3 LYS 76 HB3 LYS 76 19.840 -7.484 -0.590 5 HG2 LYS 76 HG2 LYS 76 21.835 -7.612 -1.603 6 HG3 LYS 76 HG3 LYS 76 21.668 -6.026 -2.354 7 HD2 LYS 76 HD2 LYS 76 22.262 -4.941 -0.283 8 HD3 LYS 76 HD3 LYS 76 22.349 -6.503 0.539 9 HE2 LYS 76 HE2 LYS 76 24.100 -5.615 -1.760 10 HE3 LYS 76 HE3 LYS 76 24.580 -5.658 -0.063 11 HZ1 LYS 76 HZ1 LYS 76 24.111 -8.086 -0.118 12 HZ2 LYS 76 HZ2 LYS 76 23.889 -7.967 -1.792 13 HZ3 LYS 76 HZ3 LYS 76 25.398 -7.610 -1.112 No H/Q in entry = 13 In of MODEL 15 1 H ASP 77 H ASP 77 17.510 -4.342 -1.029 2 HA ASP 77 HA ASP 77 15.753 -6.463 -0.026 3 HB2 ASP 77 HB2 ASP 77 14.805 -4.781 1.473 4 HB3 ASP 77 HB3 ASP 77 16.553 -4.799 1.608 No H/Q in entry = 4 In of MODEL 15 1 H GLU 78 H GLU 78 13.351 -5.774 0.099 2 HA GLU 78 HA GLU 78 12.361 -4.250 -2.111 3 HB2 GLU 78 HB2 GLU 78 12.822 -6.278 -3.351 4 HB3 GLU 78 HB3 GLU 78 12.130 -7.274 -2.089 5 HG2 GLU 78 HG2 GLU 78 10.218 -5.381 -3.330 6 HG3 GLU 78 HG3 GLU 78 10.873 -6.612 -4.401 No H/Q in entry = 6 In of MODEL 15 1 H TYR 79 H TYR 79 10.206 -3.717 -1.772 2 HA TYR 79 HA TYR 79 9.005 -4.707 0.692 3 HB2 TYR 79 HB2 TYR 79 8.766 -1.879 -0.358 4 HB3 TYR 79 HB3 TYR 79 8.155 -2.496 1.174 5 HD1 TYR 79 HD1 TYR 79 9.425 -2.201 3.099 6 HD2 TYR 79 HD2 TYR 79 11.365 -2.019 -0.682 7 HE1 TYR 79 HE1 TYR 79 11.521 -1.542 4.207 8 HE2 TYR 79 HE2 TYR 79 13.460 -1.361 0.417 9 HH TYR 79 HH TYR 79 14.370 -0.609 2.364 No H/Q in entry = 9 In of MODEL 15 1 H ALA 80 H ALA 80 6.709 -4.820 0.701 2 HA ALA 80 HA ALA 80 5.467 -4.601 -1.960 3 HB1 ALA 80 HB1 ALA 80 6.224 -6.964 -1.421 4 HB2 ALA 80 HB2 ALA 80 4.530 -6.756 -1.876 5 HB3 ALA 80 HB3 ALA 80 4.969 -6.968 -0.182 No H/Q in entry = 5 In of MODEL 15 1 H CYS 81 H CYS 81 3.076 -4.648 -1.875 2 HA CYS 81 HA CYS 81 2.037 -3.741 0.729 3 HB2 CYS 81 HB2 CYS 81 1.085 -2.766 -1.974 4 HB3 CYS 81 HB3 CYS 81 0.657 -2.097 -0.407 No H/Q in entry = 4 In of MODEL 15 1 H ARG 82 H ARG 82 0.280 -4.838 1.482 2 HA ARG 82 HA ARG 82 -0.930 -6.941 -0.240 3 HB2 ARG 82 HB2 ARG 82 0.529 -7.573 1.829 4 HB3 ARG 82 HB3 ARG 82 -0.815 -6.955 2.768 5 HG2 ARG 82 HG2 ARG 82 -2.222 -8.640 1.355 6 HG3 ARG 82 HG3 ARG 82 -0.651 -9.411 1.097 7 HD2 ARG 82 HD2 ARG 82 -2.072 -8.895 3.695 8 HD3 ARG 82 HD3 ARG 82 -1.578 -10.448 3.024 9 HE ARG 82 HE ARG 82 0.422 -8.464 3.864 10 HH11 ARG 82 HH11 ARG 82 -1.019 -11.663 4.143 11 HH12 ARG 82 HH12 ARG 82 0.154 -12.221 5.291 12 HH21 ARG 82 HH21 ARG 82 1.919 -9.195 5.405 13 HH22 ARG 82 HH22 ARG 82 1.825 -10.825 6.003 No H/Q in entry = 13 In of MODEL 15 1 H VAL 83 H VAL 83 -3.209 -7.113 -0.211 2 HA VAL 83 HA VAL 83 -4.555 -5.667 1.955 3 HB VAL 83 HB VAL 83 -6.160 -4.636 0.676 4 HG11 VAL 83 HG11 VAL 83 -3.678 -4.571 -0.979 5 HG12 VAL 83 HG12 VAL 83 -5.018 -3.432 -1.103 6 HG13 VAL 83 HG13 VAL 83 -4.083 -3.538 0.391 7 HG21 VAL 83 HG21 VAL 83 -5.425 -6.416 -1.639 8 HG22 VAL 83 HG22 VAL 83 -6.894 -6.502 -0.664 9 HG23 VAL 83 HG23 VAL 83 -6.601 -5.104 -1.699 No H/Q in entry = 9 In of MODEL 15 1 H ASN 84 H ASN 84 -6.268 -6.598 2.811 2 HA ASN 84 HA ASN 84 -7.083 -9.212 1.755 3 HB2 ASN 84 HB2 ASN 84 -7.168 -8.305 4.654 4 HB3 ASN 84 HB3 ASN 84 -7.533 -9.913 4.052 5 HD21 ASN 84 HD21 ASN 84 -4.976 -7.603 4.652 6 HD22 ASN 84 HD22 ASN 84 -3.683 -8.751 4.617 No H/Q in entry = 6 In of MODEL 15 1 H HIS 85 H HIS 85 -9.105 -9.165 0.938 2 HA HIS 85 HA HIS 85 -11.176 -7.848 2.522 3 HB2 HIS 85 HB2 HIS 85 -10.358 -6.418 0.507 4 HB3 HIS 85 HB3 HIS 85 -11.171 -7.626 -0.481 5 HD2 HIS 85 HD2 HIS 85 -12.125 -4.916 2.221 6 HE1 HIS 85 HE1 HIS 85 -15.529 -5.976 -0.059 7 HE2 HIS 85 HE2 HIS 85 -14.571 -4.311 1.589 No H/Q in entry = 7 In of MODEL 15 1 H VAL 86 H VAL 86 -13.382 -8.678 1.776 2 HA VAL 86 HA VAL 86 -13.280 -11.515 1.733 3 HB VAL 86 HB VAL 86 -15.093 -10.146 2.793 4 HG11 VAL 86 HG11 VAL 86 -15.984 -9.787 -0.062 5 HG12 VAL 86 HG12 VAL 86 -16.965 -9.418 1.355 6 HG13 VAL 86 HG13 VAL 86 -15.474 -8.522 1.057 7 HG21 VAL 86 HG21 VAL 86 -15.363 -12.542 2.431 8 HG22 VAL 86 HG22 VAL 86 -16.899 -11.695 2.241 9 HG23 VAL 86 HG23 VAL 86 -16.007 -12.234 0.818 No H/Q in entry = 9 In of MODEL 15 1 H THR 87 H THR 87 -13.385 -9.119 -0.747 2 HA THR 87 HA THR 87 -14.631 -10.643 -2.771 3 HB THR 87 HB THR 87 -13.589 -8.921 -4.274 4 HG1 THR 87 HG1 THR 87 -12.886 -7.365 -2.092 5 HG21 THR 87 HG21 THR 87 -15.167 -8.042 -1.869 6 HG22 THR 87 HG22 THR 87 -14.841 -6.989 -3.247 7 HG23 THR 87 HG23 THR 87 -15.780 -8.473 -3.467 No H/Q in entry = 7 In of MODEL 15 1 H LEU 88 H LEU 88 -11.248 -9.927 -2.016 2 HA LEU 88 HA LEU 88 -10.243 -11.423 -4.232 3 HB2 LEU 88 HB2 LEU 88 -8.855 -10.371 -1.751 4 HB3 LEU 88 HB3 LEU 88 -8.029 -11.089 -3.118 5 HG LEU 88 HG LEU 88 -9.599 -8.510 -3.122 6 HD11 LEU 88 HD11 LEU 88 -7.372 -8.391 -2.054 7 HD12 LEU 88 HD12 LEU 88 -6.645 -9.010 -3.548 8 HD13 LEU 88 HD13 LEU 88 -7.469 -7.441 -3.547 9 HD21 LEU 88 HD21 LEU 88 -9.901 -9.696 -5.224 10 HD22 LEU 88 HD22 LEU 88 -8.872 -8.281 -5.447 11 HD23 LEU 88 HD23 LEU 88 -8.155 -9.892 -5.380 No H/Q in entry = 11 In of MODEL 15 1 H SER 89 H SER 89 -10.445 -13.587 -4.248 2 HA SER 89 HA SER 89 -11.050 -15.151 -1.997 3 HB2 SER 89 HB2 SER 89 -10.691 -17.071 -3.523 4 HB3 SER 89 HB3 SER 89 -11.673 -15.810 -4.259 5 HG SER 89 HG SER 89 -10.056 -16.582 -5.684 No H/Q in entry = 5 In of MODEL 15 1 H GLN 90 H GLN 90 -8.106 -13.914 -3.152 2 HA GLN 90 HA GLN 90 -6.650 -15.220 -1.019 3 HB2 GLN 90 HB2 GLN 90 -5.398 -14.893 -3.745 4 HB3 GLN 90 HB3 GLN 90 -4.815 -15.847 -2.395 5 HG2 GLN 90 HG2 GLN 90 -6.239 -17.602 -2.832 6 HG3 GLN 90 HG3 GLN 90 -7.395 -16.577 -3.697 7 HE21 GLN 90 HE21 GLN 90 -7.438 -18.001 -5.429 8 HE22 GLN 90 HE22 GLN 90 -6.126 -18.129 -6.549 No H/Q in entry = 8 In of MODEL 15 1 HA PRO 91 HA PRO 91 -6.022 -10.713 -0.450 2 HB2 PRO 91 HB2 PRO 91 -3.563 -11.950 0.765 3 HB3 PRO 91 HB3 PRO 91 -4.510 -10.543 1.311 4 HG2 PRO 91 HG2 PRO 91 -4.913 -12.847 2.487 5 HG3 PRO 91 HG3 PRO 91 -6.317 -11.871 1.972 6 HD2 PRO 91 HD2 PRO 91 -5.121 -14.340 0.717 7 HD3 PRO 91 HD3 PRO 91 -6.848 -13.875 0.839 No H/Q in entry = 7 In of MODEL 15 1 H LYS 92 H LYS 92 -4.930 -9.201 -1.519 2 HA LYS 92 HA LYS 92 -3.242 -10.147 -3.666 3 HB2 LYS 92 HB2 LYS 92 -5.180 -8.633 -4.101 4 HB3 LYS 92 HB3 LYS 92 -4.326 -7.368 -3.230 5 HG2 LYS 92 HG2 LYS 92 -3.959 -7.072 -5.574 6 HG3 LYS 92 HG3 LYS 92 -2.452 -7.604 -4.819 7 HD2 LYS 92 HD2 LYS 92 -2.619 -8.903 -6.754 8 HD3 LYS 92 HD3 LYS 92 -3.187 -9.954 -5.450 9 HE2 LYS 92 HE2 LYS 92 -4.627 -10.098 -7.438 10 HE3 LYS 92 HE3 LYS 92 -5.494 -9.476 -6.034 11 HZ1 LYS 92 HZ1 LYS 92 -4.289 -7.692 -8.073 12 HZ2 LYS 92 HZ2 LYS 92 -5.870 -8.287 -8.211 13 HZ3 LYS 92 HZ3 LYS 92 -5.449 -7.308 -6.896 No H/Q in entry = 13 In of MODEL 15 1 H ILE 93 H ILE 93 -1.152 -9.969 -3.675 2 HA ILE 93 HA ILE 93 0.131 -7.848 -2.074 3 HB ILE 93 HB ILE 93 1.298 -10.478 -3.005 4 HG12 ILE 93 HG12 ILE 93 1.749 -10.732 -0.498 5 HG13 ILE 93 HG13 ILE 93 0.620 -9.409 -0.271 6 HG21 ILE 93 HG21 ILE 93 2.945 -8.710 -3.230 7 HG22 ILE 93 HG22 ILE 93 2.667 -8.223 -1.556 8 HG23 ILE 93 HG23 ILE 93 3.372 -9.801 -1.909 9 HD11 ILE 93 HD11 ILE 93 -0.005 -12.043 -1.576 10 HD12 ILE 93 HD12 ILE 93 -0.416 -11.584 0.074 11 HD13 ILE 93 HD13 ILE 93 -1.146 -10.730 -1.285 No H/Q in entry = 11 In of MODEL 15 1 H VAL 94 H VAL 94 1.159 -6.330 -3.165 2 HA VAL 94 HA VAL 94 2.140 -6.929 -5.860 3 HB VAL 94 HB VAL 94 0.893 -4.314 -4.976 4 HG11 VAL 94 HG11 VAL 94 2.154 -5.081 -7.607 5 HG12 VAL 94 HG12 VAL 94 1.275 -3.585 -7.294 6 HG13 VAL 94 HG13 VAL 94 2.783 -3.915 -6.444 7 HG21 VAL 94 HG21 VAL 94 -0.013 -6.347 -7.015 8 HG22 VAL 94 HG22 VAL 94 -0.773 -6.020 -5.457 9 HG23 VAL 94 HG23 VAL 94 -0.776 -4.785 -6.715 No H/Q in entry = 9 In of MODEL 15 1 H LYS 95 H LYS 95 4.185 -6.477 -6.127 2 HA LYS 95 HA LYS 95 5.691 -5.627 -3.800 3 HB2 LYS 95 HB2 LYS 95 7.503 -6.658 -4.752 4 HB3 LYS 95 HB3 LYS 95 6.227 -7.516 -5.605 5 HG2 LYS 95 HG2 LYS 95 6.510 -6.134 -7.539 6 HG3 LYS 95 HG3 LYS 95 7.647 -5.093 -6.677 7 HD2 LYS 95 HD2 LYS 95 8.858 -7.460 -6.324 8 HD3 LYS 95 HD3 LYS 95 8.042 -7.775 -7.859 9 HE2 LYS 95 HE2 LYS 95 9.917 -5.487 -7.253 10 HE3 LYS 95 HE3 LYS 95 10.281 -6.904 -8.240 11 HZ1 LYS 95 HZ1 LYS 95 8.453 -6.210 -9.757 12 HZ2 LYS 95 HZ2 LYS 95 8.292 -4.776 -8.866 13 HZ3 LYS 95 HZ3 LYS 95 9.734 -5.098 -9.700 No H/Q in entry = 13 In of MODEL 15 1 H TRP 96 H TRP 96 7.098 -3.812 -3.750 2 HA TRP 96 HA TRP 96 6.348 -1.682 -5.586 3 HB2 TRP 96 HB2 TRP 96 6.435 -1.130 -3.184 4 HB3 TRP 96 HB3 TRP 96 8.116 -1.659 -3.101 5 HD1 TRP 96 HD1 TRP 96 5.974 1.127 -4.715 6 HE1 TRP 96 HE1 TRP 96 7.493 3.137 -5.171 7 HE3 TRP 96 HE3 TRP 96 10.450 -0.919 -3.343 8 HZ2 TRP 96 HZ2 TRP 96 10.242 3.784 -4.977 9 HZ3 TRP 96 HZ3 TRP 96 12.481 0.454 -3.502 10 HH2 TRP 96 HH2 TRP 96 12.376 2.778 -4.291 No H/Q in entry = 10 In of MODEL 15 1 H ASP 97 H ASP 97 7.727 -0.798 -7.053 2 HA ASP 97 HA ASP 97 10.554 -1.417 -6.994 3 HB2 ASP 97 HB2 ASP 97 10.553 -2.315 -9.329 4 HB3 ASP 97 HB3 ASP 97 9.687 -3.350 -8.211 No H/Q in entry = 4 In of MODEL 15 1 H ARG 98 H ARG 98 11.698 -0.262 -8.743 2 HA ARG 98 HA ARG 98 10.374 2.310 -9.313 3 HB2 ARG 98 HB2 ARG 98 12.681 3.283 -9.362 4 HB3 ARG 98 HB3 ARG 98 12.198 2.694 -7.788 5 HG2 ARG 98 HG2 ARG 98 13.970 1.347 -7.678 6 HG3 ARG 98 HG3 ARG 98 13.553 0.603 -9.218 7 HD2 ARG 98 HD2 ARG 98 14.651 2.706 -10.261 8 HD3 ARG 98 HD3 ARG 98 15.413 2.932 -8.677 9 HE ARG 98 HE ARG 98 15.703 0.411 -10.189 10 HH11 ARG 98 HH11 ARG 98 17.097 3.169 -8.520 11 HH12 ARG 98 HH12 ARG 98 18.725 2.596 -8.667 12 HH21 ARG 98 HH21 ARG 98 17.858 -0.328 -10.411 13 HH22 ARG 98 HH22 ARG 98 19.159 0.612 -9.743 No H/Q in entry = 13 In of MODEL 15 1 H ASP 99 H ASP 99 12.086 -0.383 -10.508 2 HA ASP 99 HA ASP 99 11.696 0.243 -13.270 3 HB2 ASP 99 HB2 ASP 99 13.925 0.599 -13.925 4 HB3 ASP 99 HB3 ASP 99 13.922 1.360 -12.334 No H/Q in entry = 4 In of MODEL 15 1 H MET 100 H MET 100 12.663 -1.609 -10.650 2 HA MET 100 HA MET 100 13.638 -3.983 -11.730 3 HB2 MET 100 HB2 MET 100 12.011 -3.673 -9.196 4 HB3 MET 100 HB3 MET 100 13.115 -4.987 -9.577 5 HG2 MET 100 HG2 MET 100 13.918 -2.107 -9.254 6 HG3 MET 100 HG3 MET 100 14.043 -3.341 -7.996 7 HE1 MET 100 HE1 MET 100 16.591 -2.847 -7.649 8 HE2 MET 100 HE2 MET 100 17.783 -2.824 -8.949 9 HE3 MET 100 HE3 MET 100 16.533 -1.581 -8.876 No H/Q in entry = 9 In of MODEL 16 1 HA ILE 2 HA ILE 2 -21.607 -8.794 -5.404 2 HB ILE 2 HB ILE 2 -21.182 -9.840 -3.117 3 HG12 ILE 2 HG12 ILE 2 -20.515 -12.367 -3.461 4 HG13 ILE 2 HG13 ILE 2 -19.656 -11.745 -4.863 5 HG21 ILE 2 HG21 ILE 2 -23.211 -10.218 -4.403 6 HG22 ILE 2 HG22 ILE 2 -22.430 -11.541 -5.270 7 HG23 ILE 2 HG23 ILE 2 -22.736 -11.680 -3.538 8 HD11 ILE 2 HD11 ILE 2 -18.369 -10.261 -3.410 9 HD12 ILE 2 HD12 ILE 2 -19.232 -10.893 -2.007 10 HD13 ILE 2 HD13 ILE 2 -18.183 -11.954 -2.949 No H/Q in entry = 10 In of MODEL 16 1 H GLN 3 H GLN 3 -21.022 -7.159 -3.935 2 HA GLN 3 HA GLN 3 -19.711 -5.439 -3.232 3 HB2 GLN 3 HB2 GLN 3 -18.898 -7.444 -1.817 4 HB3 GLN 3 HB3 GLN 3 -17.511 -7.481 -2.884 5 HG2 GLN 3 HG2 GLN 3 -16.819 -6.285 -0.985 6 HG3 GLN 3 HG3 GLN 3 -17.103 -5.072 -2.241 7 HE21 GLN 3 HE21 GLN 3 -18.950 -3.745 -2.095 8 HE22 GLN 3 HE22 GLN 3 -19.778 -3.521 -0.596 No H/Q in entry = 8 In of MODEL 16 1 H ARG 4 H ARG 4 -17.211 -4.573 -3.563 2 HA ARG 4 HA ARG 4 -16.656 -4.857 -6.435 3 HB2 ARG 4 HB2 ARG 4 -17.569 -2.656 -6.056 4 HB3 ARG 4 HB3 ARG 4 -16.464 -2.401 -4.700 5 HG2 ARG 4 HG2 ARG 4 -14.747 -1.789 -6.034 6 HG3 ARG 4 HG3 ARG 4 -15.101 -3.067 -7.189 7 HD2 ARG 4 HD2 ARG 4 -16.427 -0.323 -7.146 8 HD3 ARG 4 HD3 ARG 4 -15.385 -1.008 -8.386 9 HE ARG 4 HE ARG 4 -17.368 -2.764 -8.405 10 HH11 ARG 4 HH11 ARG 4 -17.423 0.736 -8.384 11 HH12 ARG 4 HH12 ARG 4 -19.003 0.848 -9.101 12 HH21 ARG 4 HH21 ARG 4 -19.452 -2.631 -9.352 13 HH22 ARG 4 HH22 ARG 4 -20.158 -1.068 -9.652 No H/Q in entry = 13 In of MODEL 16 1 H THR 5 H THR 5 -14.538 -5.104 -7.062 2 HA THR 5 HA THR 5 -12.807 -6.099 -5.021 3 HB THR 5 HB THR 5 -11.275 -6.720 -6.813 4 HG1 THR 5 HG1 THR 5 -11.904 -4.711 -8.071 5 HG21 THR 5 HG21 THR 5 -14.187 -7.322 -7.240 6 HG22 THR 5 HG22 THR 5 -12.945 -8.003 -8.287 7 HG23 THR 5 HG23 THR 5 -12.922 -8.352 -6.565 No H/Q in entry = 7 In of MODEL 16 1 HA PRO 6 HA PRO 6 -10.521 -2.241 -4.605 2 HB2 PRO 6 HB2 PRO 6 -8.925 -3.603 -2.611 3 HB3 PRO 6 HB3 PRO 6 -10.082 -2.292 -2.382 4 HG2 PRO 6 HG2 PRO 6 -10.462 -4.874 -1.484 5 HG3 PRO 6 HG3 PRO 6 -11.780 -3.719 -1.812 6 HD2 PRO 6 HD2 PRO 6 -10.773 -5.998 -3.481 7 HD3 PRO 6 HD3 PRO 6 -12.427 -5.371 -3.274 No H/Q in entry = 7 In of MODEL 16 1 H LYS 7 H LYS 7 -8.891 -1.775 -5.947 2 HA LYS 7 HA LYS 7 -7.118 -3.946 -6.795 3 HB2 LYS 7 HB2 LYS 7 -8.203 -2.714 -8.600 4 HB3 LYS 7 HB3 LYS 7 -7.626 -1.184 -7.953 5 HG2 LYS 7 HG2 LYS 7 -5.299 -1.944 -8.374 6 HG3 LYS 7 HG3 LYS 7 -5.958 -3.381 -9.157 7 HD2 LYS 7 HD2 LYS 7 -7.020 -2.027 -10.847 8 HD3 LYS 7 HD3 LYS 7 -6.528 -0.547 -10.019 9 HE2 LYS 7 HE2 LYS 7 -4.643 -2.600 -11.179 10 HE3 LYS 7 HE3 LYS 7 -5.087 -1.078 -11.952 11 HZ1 LYS 7 HZ1 LYS 7 -3.708 -1.328 -9.329 12 HZ2 LYS 7 HZ2 LYS 7 -2.961 -0.919 -10.793 13 HZ3 LYS 7 HZ3 LYS 7 -4.110 0.122 -10.113 No H/Q in entry = 13 In of MODEL 16 1 H ILE 8 H ILE 8 -4.840 -3.603 -6.950 2 HA ILE 8 HA ILE 8 -3.872 -2.071 -4.658 3 HB ILE 8 HB ILE 8 -2.155 -3.902 -6.300 4 HG12 ILE 8 HG12 ILE 8 -4.125 -5.238 -5.876 5 HG13 ILE 8 HG13 ILE 8 -2.840 -5.772 -4.802 6 HG21 ILE 8 HG21 ILE 8 -1.124 -2.527 -4.558 7 HG22 ILE 8 HG22 ILE 8 -2.213 -3.227 -3.358 8 HG23 ILE 8 HG23 ILE 8 -1.022 -4.245 -4.167 9 HD11 ILE 8 HD11 ILE 8 -3.835 -4.504 -2.980 10 HD12 ILE 8 HD12 ILE 8 -5.127 -3.976 -4.058 11 HD13 ILE 8 HD13 ILE 8 -4.962 -5.686 -3.652 No H/Q in entry = 11 In of MODEL 16 1 H GLN 9 H GLN 9 -2.670 -0.312 -4.868 2 HA GLN 9 HA GLN 9 -1.045 0.022 -7.274 3 HB2 GLN 9 HB2 GLN 9 -2.138 2.609 -6.331 4 HB3 GLN 9 HB3 GLN 9 -2.018 2.065 -8.000 5 HG2 GLN 9 HG2 GLN 9 -4.040 0.915 -7.916 6 HG3 GLN 9 HG3 GLN 9 -4.142 1.004 -6.162 7 HE21 GLN 9 HE21 GLN 9 -3.124 3.743 -8.052 8 HE22 GLN 9 HE22 GLN 9 -4.564 4.683 -7.833 No H/Q in entry = 8 In of MODEL 16 1 H VAL 10 H VAL 10 0.950 0.246 -6.566 2 HA VAL 10 HA VAL 10 1.495 1.690 -4.076 3 HB VAL 10 HB VAL 10 1.596 -0.491 -3.236 4 HG11 VAL 10 HG11 VAL 10 1.421 -1.625 -5.428 5 HG12 VAL 10 HG12 VAL 10 3.162 -1.417 -5.631 6 HG13 VAL 10 HG13 VAL 10 2.535 -2.399 -4.302 7 HG21 VAL 10 HG21 VAL 10 4.405 0.175 -4.106 8 HG22 VAL 10 HG22 VAL 10 3.594 0.739 -2.644 9 HG23 VAL 10 HG23 VAL 10 3.975 -0.973 -2.838 No H/Q in entry = 9 In of MODEL 16 1 H TYR 11 H TYR 11 3.152 3.016 -4.157 2 HA TYR 11 HA TYR 11 5.236 2.808 -6.134 3 HB2 TYR 11 HB2 TYR 11 4.760 4.919 -7.255 4 HB3 TYR 11 HB3 TYR 11 3.369 3.854 -7.414 5 HD1 TYR 11 HD1 TYR 11 1.251 4.412 -6.364 6 HD2 TYR 11 HD2 TYR 11 4.652 6.914 -5.837 7 HE1 TYR 11 HE1 TYR 11 -0.194 6.176 -5.451 8 HE2 TYR 11 HE2 TYR 11 3.214 8.686 -4.926 9 HH TYR 11 HH TYR 11 0.793 9.352 -5.081 No H/Q in entry = 9 In of MODEL 16 1 H SER 12 H SER 12 6.782 4.670 -5.903 2 HA SER 12 HA SER 12 7.136 5.371 -3.115 3 HB2 SER 12 HB2 SER 12 9.121 6.657 -4.534 4 HB3 SER 12 HB3 SER 12 9.258 4.981 -3.987 5 HG SER 12 HG SER 12 9.470 5.717 -6.398 No H/Q in entry = 5 In of MODEL 16 1 H ARG 13 H ARG 13 6.671 7.332 -2.226 2 HA ARG 13 HA ARG 13 4.931 9.039 -3.705 3 HB2 ARG 13 HB2 ARG 13 4.790 8.729 -1.203 4 HB3 ARG 13 HB3 ARG 13 6.280 9.633 -1.034 5 HG2 ARG 13 HG2 ARG 13 4.042 11.011 -2.439 6 HG3 ARG 13 HG3 ARG 13 3.882 10.732 -0.712 7 HD2 ARG 13 HD2 ARG 13 6.315 12.017 -1.929 8 HD3 ARG 13 HD3 ARG 13 4.901 12.932 -1.409 9 HE ARG 13 HE ARG 13 5.578 11.368 0.749 10 HH11 ARG 13 HH11 ARG 13 7.204 13.799 -1.182 11 HH12 ARG 13 HH12 ARG 13 8.143 14.416 0.145 12 HH21 ARG 13 HH21 ARG 13 6.813 12.178 2.492 13 HH22 ARG 13 HH22 ARG 13 7.933 13.481 2.234 No H/Q in entry = 13 In of MODEL 16 1 H HIS 14 H HIS 14 8.295 9.369 -2.667 2 HA HIS 14 HA HIS 14 8.589 11.359 -4.798 3 HB2 HIS 14 HB2 HIS 14 9.524 11.445 -1.989 4 HB3 HIS 14 HB3 HIS 14 10.729 11.911 -3.185 5 HD2 HIS 14 HD2 HIS 14 7.090 12.943 -3.936 6 HE1 HIS 14 HE1 HIS 14 9.191 16.342 -2.552 7 HE2 HIS 14 HE2 HIS 14 6.952 15.471 -3.375 No H/Q in entry = 7 In of MODEL 16 1 HA PRO 15 HA PRO 15 11.772 8.889 -6.685 2 HB2 PRO 15 HB2 PRO 15 14.206 10.195 -6.256 3 HB3 PRO 15 HB3 PRO 15 13.104 10.470 -7.620 4 HG2 PRO 15 HG2 PRO 15 13.431 12.066 -5.083 5 HG3 PRO 15 HG3 PRO 15 13.056 12.624 -6.750 6 HD2 PRO 15 HD2 PRO 15 11.148 12.459 -4.834 7 HD3 PRO 15 HD3 PRO 15 10.793 12.090 -6.547 No H/Q in entry = 7 In of MODEL 16 1 H ALA 16 H ALA 16 12.751 7.069 -6.070 2 HA ALA 16 HA ALA 16 13.397 6.743 -3.266 3 HB1 ALA 16 HB1 ALA 16 11.951 5.110 -4.390 4 HB2 ALA 16 HB2 ALA 16 13.280 4.701 -5.476 5 HB3 ALA 16 HB3 ALA 16 13.418 4.371 -3.751 No H/Q in entry = 5 In of MODEL 16 1 H GLU 17 H GLU 17 15.408 6.390 -2.494 2 HA GLU 17 HA GLU 17 17.569 5.983 -4.414 3 HB2 GLU 17 HB2 GLU 17 17.348 8.404 -3.692 4 HB3 GLU 17 HB3 GLU 17 17.795 7.871 -2.071 5 HG2 GLU 17 HG2 GLU 17 19.708 8.747 -3.347 6 HG3 GLU 17 HG3 GLU 17 19.908 7.055 -2.883 No H/Q in entry = 6 In of MODEL 16 1 H ASN 18 H ASN 18 19.023 4.522 -3.841 2 HA ASN 18 HA ASN 18 18.564 2.933 -1.490 3 HB2 ASN 18 HB2 ASN 18 19.144 1.591 -3.277 4 HB3 ASN 18 HB3 ASN 18 20.357 2.720 -3.884 5 HD21 ASN 18 HD21 ASN 18 21.922 1.148 -4.075 6 HD22 ASN 18 HD22 ASN 18 22.696 0.416 -2.710 No H/Q in entry = 6 In of MODEL 16 1 H GLY 19 H GLY 19 19.571 2.982 0.372 2 HA2 GLY 19 HA2 GLY 19 22.131 4.301 0.721 3 HA3 GLY 19 HA3 GLY 19 21.156 3.532 1.986 No H/Q in entry = 3 In of MODEL 16 1 H LYS 20 H LYS 20 18.803 5.032 0.846 2 HA LYS 20 HA LYS 20 19.231 7.536 2.285 3 HB2 LYS 20 HB2 LYS 20 19.769 7.745 -0.186 4 HB3 LYS 20 HB3 LYS 20 18.072 7.429 -0.489 5 HG2 LYS 20 HG2 LYS 20 18.615 9.798 -0.519 6 HG3 LYS 20 HG3 LYS 20 17.423 9.402 0.701 7 HD2 LYS 20 HD2 LYS 20 19.074 9.525 2.389 8 HD3 LYS 20 HD3 LYS 20 20.364 9.725 1.225 9 HE2 LYS 20 HE2 LYS 20 18.091 11.679 1.603 10 HE3 LYS 20 HE3 LYS 20 19.670 11.838 2.375 11 HZ1 LYS 20 HZ1 LYS 20 19.184 11.776 -0.555 12 HZ2 LYS 20 HZ2 LYS 20 19.526 13.159 0.365 13 HZ3 LYS 20 HZ3 LYS 20 20.697 11.943 0.197 No H/Q in entry = 13 In of MODEL 16 1 H SER 21 H SER 21 17.303 8.504 2.959 2 HA SER 21 HA SER 21 15.240 6.606 3.526 3 HB2 SER 21 HB2 SER 21 15.511 9.543 4.151 4 HB3 SER 21 HB3 SER 21 14.227 8.508 4.772 5 HG SER 21 HG SER 21 16.458 7.248 5.293 No H/Q in entry = 5 In of MODEL 16 1 H ASN 22 H ASN 22 13.202 6.527 2.762 2 HA ASN 22 HA ASN 22 12.358 8.444 0.692 3 HB2 ASN 22 HB2 ASN 22 13.421 6.215 -0.247 4 HB3 ASN 22 HB3 ASN 22 11.963 5.460 0.376 5 HD21 ASN 22 HD21 ASN 22 11.921 8.711 -1.014 6 HD22 ASN 22 HD22 ASN 22 11.047 8.251 -2.436 No H/Q in entry = 6 In of MODEL 16 1 H PHE 23 H PHE 23 9.942 7.889 0.139 2 HA PHE 23 HA PHE 23 8.557 7.027 2.584 3 HB2 PHE 23 HB2 PHE 23 7.927 9.405 0.827 4 HB3 PHE 23 HB3 PHE 23 6.766 8.708 1.948 5 HD1 PHE 23 HD1 PHE 23 10.267 10.006 1.939 6 HD2 PHE 23 HD2 PHE 23 6.569 9.645 4.014 7 HE1 PHE 23 HE1 PHE 23 11.141 11.433 3.741 8 HE2 PHE 23 HE2 PHE 23 7.436 11.077 5.814 9 HZ PHE 23 HZ PHE 23 9.728 11.961 5.686 No H/Q in entry = 9 In of MODEL 16 1 H LEU 24 H LEU 24 7.266 5.361 2.204 2 HA LEU 24 HA LEU 24 6.676 4.567 -0.537 3 HB2 LEU 24 HB2 LEU 24 7.114 3.232 1.846 4 HB3 LEU 24 HB3 LEU 24 5.397 3.036 1.588 5 HG LEU 24 HG LEU 24 7.651 2.102 -0.207 6 HD11 LEU 24 HD11 LEU 24 7.193 0.688 1.736 7 HD12 LEU 24 HD12 LEU 24 5.489 0.622 1.293 8 HD13 LEU 24 HD13 LEU 24 6.699 -0.115 0.245 9 HD21 LEU 24 HD21 LEU 24 4.684 2.078 -0.739 10 HD22 LEU 24 HD22 LEU 24 5.948 2.849 -1.703 11 HD23 LEU 24 HD23 LEU 24 5.862 1.091 -1.606 No H/Q in entry = 11 In of MODEL 16 1 H ASN 25 H ASN 25 4.562 4.246 -1.289 2 HA ASN 25 HA ASN 25 2.383 5.274 0.385 3 HB2 ASN 25 HB2 ASN 25 3.164 6.295 -2.328 4 HB3 ASN 25 HB3 ASN 25 1.451 6.174 -1.959 5 HD21 ASN 25 HD21 ASN 25 1.140 8.359 -2.069 6 HD22 ASN 25 HD22 ASN 25 1.716 9.442 -0.852 No H/Q in entry = 6 In of MODEL 16 1 H CYS 26 H CYS 26 0.770 3.843 0.457 2 HA CYS 26 HA CYS 26 0.445 1.979 -1.792 3 HB2 CYS 26 HB2 CYS 26 1.463 1.034 0.390 4 HB3 CYS 26 HB3 CYS 26 -0.165 1.221 1.051 No H/Q in entry = 4 In of MODEL 16 1 H TYR 27 H TYR 27 -1.495 2.092 -2.670 2 HA TYR 27 HA TYR 27 -3.604 3.536 -1.204 3 HB2 TYR 27 HB2 TYR 27 -2.452 3.968 -3.897 4 HB3 TYR 27 HB3 TYR 27 -4.204 4.037 -3.802 5 HD1 TYR 27 HD1 TYR 27 -5.301 5.789 -2.434 6 HD2 TYR 27 HD2 TYR 27 -1.082 5.740 -2.990 7 HE1 TYR 27 HE1 TYR 27 -5.197 8.141 -1.765 8 HE2 TYR 27 HE2 TYR 27 -0.968 8.098 -2.312 9 HH TYR 27 HH TYR 27 -3.571 9.695 -0.804 No H/Q in entry = 9 In of MODEL 16 1 H VAL 28 H VAL 28 -5.158 2.128 -0.760 2 HA VAL 28 HA VAL 28 -6.040 0.343 -2.939 3 HB VAL 28 HB VAL 28 -6.589 -0.314 -0.061 4 HG11 VAL 28 HG11 VAL 28 -7.777 -1.516 -1.826 5 HG12 VAL 28 HG12 VAL 28 -6.235 -2.003 -2.527 6 HG13 VAL 28 HG13 VAL 28 -6.702 -2.586 -0.929 7 HG21 VAL 28 HG21 VAL 28 -4.066 -0.997 -1.557 8 HG22 VAL 28 HG22 VAL 28 -4.198 -0.075 -0.058 9 HG23 VAL 28 HG23 VAL 28 -4.591 -1.798 -0.072 No H/Q in entry = 9 In of MODEL 16 1 H SER 29 H SER 29 -7.810 1.313 -3.748 2 HA SER 29 HA SER 29 -9.938 2.108 -1.903 3 HB2 SER 29 HB2 SER 29 -8.857 3.960 -4.040 4 HB3 SER 29 HB3 SER 29 -10.199 4.300 -2.945 5 HG SER 29 HG SER 29 -8.002 3.525 -1.573 No H/Q in entry = 5 In of MODEL 16 1 H GLY 30 H GLY 30 -11.945 2.825 -3.190 2 HA2 GLY 30 HA2 GLY 30 -12.203 1.411 -5.741 3 HA3 GLY 30 HA3 GLY 30 -13.354 2.560 -5.074 No H/Q in entry = 3 In of MODEL 16 1 H PHE 31 H PHE 31 -13.144 1.200 -2.428 2 HA PHE 31 HA PHE 31 -14.662 -1.246 -3.040 3 HB2 PHE 31 HB2 PHE 31 -13.570 -2.317 -1.140 4 HB3 PHE 31 HB3 PHE 31 -12.360 -1.730 -2.300 5 HD1 PHE 31 HD1 PHE 31 -13.870 -1.149 1.008 6 HD2 PHE 31 HD2 PHE 31 -10.880 0.070 -1.761 7 HE1 PHE 31 HE1 PHE 31 -12.779 0.169 2.767 8 HE2 PHE 31 HE2 PHE 31 -9.793 1.396 0.000 9 HZ PHE 31 HZ PHE 31 -10.749 1.447 2.263 No H/Q in entry = 9 In of MODEL 16 1 H HIS 32 H HIS 32 -15.564 -2.083 -0.773 2 HA HIS 32 HA HIS 32 -16.658 0.122 0.817 3 HB2 HIS 32 HB2 HIS 32 -18.531 -2.107 -0.048 4 HB3 HIS 32 HB3 HIS 32 -18.922 -0.569 0.696 5 HD2 HIS 32 HD2 HIS 32 -18.144 -2.048 -2.805 6 HE1 HIS 32 HE1 HIS 32 -19.386 1.968 -3.245 7 HE2 HIS 32 HE2 HIS 32 -19.029 -0.240 -4.441 No H/Q in entry = 7 In of MODEL 16 1 HA PRO 33 HA PRO 33 -18.811 -0.418 2.551 2 HB2 PRO 33 HB2 PRO 33 -17.753 -0.040 5.280 3 HB3 PRO 33 HB3 PRO 33 -19.387 -0.453 4.755 4 HG2 PRO 33 HG2 PRO 33 -17.804 -2.254 5.942 5 HG3 PRO 33 HG3 PRO 33 -18.923 -2.714 4.645 6 HD2 PRO 33 HD2 PRO 33 -15.963 -2.270 4.531 7 HD3 PRO 33 HD3 PRO 33 -16.947 -3.526 3.741 No H/Q in entry = 7 In of MODEL 16 1 H SER 34 H SER 34 -16.129 0.541 4.738 2 HA SER 34 HA SER 34 -15.177 2.490 2.841 3 HB2 SER 34 HB2 SER 34 -16.252 3.242 5.579 4 HB3 SER 34 HB3 SER 34 -15.309 4.314 4.548 5 HG SER 34 HG SER 34 -17.307 3.317 3.105 No H/Q in entry = 5 In of MODEL 16 1 H ASP 35 H ASP 35 -14.365 -0.020 4.157 2 HA ASP 35 HA ASP 35 -11.909 0.863 5.430 3 HB2 ASP 35 HB2 ASP 35 -12.952 0.710 7.452 4 HB3 ASP 35 HB3 ASP 35 -14.119 -0.487 6.894 No H/Q in entry = 4 In of MODEL 16 1 H ILE 36 H ILE 36 -10.272 -0.352 4.896 2 HA ILE 36 HA ILE 36 -10.588 -3.208 4.316 3 HB ILE 36 HB ILE 36 -10.522 -1.861 2.098 4 HG12 ILE 36 HG12 ILE 36 -8.728 -4.141 2.859 5 HG13 ILE 36 HG13 ILE 36 -10.151 -4.148 1.826 6 HG21 ILE 36 HG21 ILE 36 -7.659 -1.549 3.002 7 HG22 ILE 36 HG22 ILE 36 -8.230 -1.248 1.359 8 HG23 ILE 36 HG23 ILE 36 -8.807 -0.246 2.687 9 HD11 ILE 36 HD11 ILE 36 -7.519 -2.905 1.054 10 HD12 ILE 36 HD12 ILE 36 -7.999 -4.547 0.636 11 HD13 ILE 36 HD13 ILE 36 -8.918 -3.175 0.011 No H/Q in entry = 11 In of MODEL 16 1 H GLU 37 H GLU 37 -8.548 -4.380 4.692 2 HA GLU 37 HA GLU 37 -6.633 -2.783 6.206 3 HB2 GLU 37 HB2 GLU 37 -7.868 -4.757 7.262 4 HB3 GLU 37 HB3 GLU 37 -6.998 -5.781 6.138 5 HG2 GLU 37 HG2 GLU 37 -5.276 -4.039 7.740 6 HG3 GLU 37 HG3 GLU 37 -6.205 -5.220 8.654 No H/Q in entry = 6 In of MODEL 16 1 H VAL 38 H VAL 38 -4.642 -2.576 5.420 2 HA VAL 38 HA VAL 38 -3.641 -4.455 3.452 3 HB VAL 38 HB VAL 38 -3.950 -3.104 1.714 4 HG11 VAL 38 HG11 VAL 38 -4.547 -0.882 3.649 5 HG12 VAL 38 HG12 VAL 38 -4.785 -0.796 1.903 6 HG13 VAL 38 HG13 VAL 38 -5.705 -1.955 2.864 7 HG21 VAL 38 HG21 VAL 38 -1.991 -1.255 3.087 8 HG22 VAL 38 HG22 VAL 38 -1.592 -2.578 1.996 9 HG23 VAL 38 HG23 VAL 38 -2.453 -1.161 1.385 No H/Q in entry = 9 In of MODEL 16 1 H ASP 39 H ASP 39 -1.507 -4.763 3.528 2 HA ASP 39 HA ASP 39 -0.022 -3.265 5.581 3 HB2 ASP 39 HB2 ASP 39 0.190 -5.089 6.872 4 HB3 ASP 39 HB3 ASP 39 -0.901 -5.938 5.785 No H/Q in entry = 4 In of MODEL 16 1 H LEU 40 H LEU 40 2.257 -3.315 5.354 2 HA LEU 40 HA LEU 40 3.077 -3.555 2.543 3 HB2 LEU 40 HB2 LEU 40 4.500 -2.015 4.698 4 HB3 LEU 40 HB3 LEU 40 4.726 -1.891 2.965 5 HG LEU 40 HG LEU 40 2.316 -0.977 4.523 6 HD11 LEU 40 HD11 LEU 40 4.480 0.542 3.079 7 HD12 LEU 40 HD12 LEU 40 3.053 1.259 3.826 8 HD13 LEU 40 HD13 LEU 40 4.258 0.446 4.828 9 HD21 LEU 40 HD21 LEU 40 2.870 -0.911 1.567 10 HD22 LEU 40 HD22 LEU 40 1.534 -1.718 2.392 11 HD23 LEU 40 HD23 LEU 40 1.621 0.049 2.362 No H/Q in entry = 11 In of MODEL 16 1 H LEU 41 H LEU 41 4.843 -4.730 1.967 2 HA LEU 41 HA LEU 41 5.930 -6.489 4.058 3 HB2 LEU 41 HB2 LEU 41 5.855 -7.175 1.164 4 HB3 LEU 41 HB3 LEU 41 6.080 -8.233 2.520 5 HG LEU 41 HG LEU 41 3.494 -6.828 1.898 6 HD11 LEU 41 HD11 LEU 41 4.121 -8.456 0.170 7 HD12 LEU 41 HD12 LEU 41 4.312 -9.689 1.417 8 HD13 LEU 41 HD13 LEU 41 2.724 -8.991 1.106 9 HD21 LEU 41 HD21 LEU 41 3.883 -7.367 4.266 10 HD22 LEU 41 HD22 LEU 41 2.578 -8.324 3.560 11 HD23 LEU 41 HD23 LEU 41 4.166 -9.049 3.814 No H/Q in entry = 11 In of MODEL 16 1 H LYS 42 H LYS 42 7.846 -7.656 3.176 2 HA LYS 42 HA LYS 42 9.778 -6.055 1.742 3 HB2 LYS 42 HB2 LYS 42 10.438 -7.045 4.506 4 HB3 LYS 42 HB3 LYS 42 11.458 -6.074 3.460 5 HG2 LYS 42 HG2 LYS 42 9.718 -4.239 3.585 6 HG3 LYS 42 HG3 LYS 42 8.870 -5.242 4.739 7 HD2 LYS 42 HD2 LYS 42 11.742 -4.291 5.166 8 HD3 LYS 42 HD3 LYS 42 10.297 -3.545 5.881 9 HE2 LYS 42 HE2 LYS 42 11.175 -6.403 6.285 10 HE3 LYS 42 HE3 LYS 42 11.478 -5.084 7.411 11 HZ1 LYS 42 HZ1 LYS 42 8.744 -5.878 6.580 12 HZ2 LYS 42 HZ2 LYS 42 9.529 -6.547 7.927 13 HZ3 LYS 42 HZ3 LYS 42 9.197 -4.886 7.880 No H/Q in entry = 13 In of MODEL 16 1 H ASN 43 H ASN 43 10.082 -7.553 0.267 2 HA ASN 43 HA ASN 43 10.649 -9.478 -0.795 3 HB2 ASN 43 HB2 ASN 43 12.006 -9.995 1.839 4 HB3 ASN 43 HB3 ASN 43 12.090 -11.149 0.515 5 HD21 ASN 43 HD21 ASN 43 14.182 -9.610 1.841 6 HD22 ASN 43 HD22 ASN 43 14.968 -8.711 0.587 No H/Q in entry = 6 In of MODEL 16 1 H GLY 44 H GLY 44 8.777 -9.575 2.010 2 HA2 GLY 44 HA2 GLY 44 7.973 -12.344 1.744 3 HA3 GLY 44 HA3 GLY 44 6.772 -11.150 1.256 No H/Q in entry = 3 In of MODEL 16 1 H GLU 45 H GLU 45 8.608 -9.777 3.619 2 HA GLU 45 HA GLU 45 7.138 -11.002 5.828 3 HB2 GLU 45 HB2 GLU 45 9.604 -9.287 5.805 4 HB3 GLU 45 HB3 GLU 45 8.926 -10.097 7.213 5 HG2 GLU 45 HG2 GLU 45 9.917 -11.471 4.739 6 HG3 GLU 45 HG3 GLU 45 10.828 -11.249 6.210 No H/Q in entry = 6 In of MODEL 16 1 H ARG 46 H ARG 46 5.964 -9.853 7.247 2 HA ARG 46 HA ARG 46 4.756 -7.531 6.231 3 HB2 ARG 46 HB2 ARG 46 4.311 -9.496 8.287 4 HB3 ARG 46 HB3 ARG 46 4.048 -7.902 8.951 5 HG2 ARG 46 HG2 ARG 46 2.572 -7.563 6.810 6 HG3 ARG 46 HG3 ARG 46 2.556 -9.320 6.811 7 HD2 ARG 46 HD2 ARG 46 1.525 -9.356 8.998 8 HD3 ARG 46 HD3 ARG 46 1.669 -7.595 9.138 9 HE ARG 46 HE ARG 46 0.258 -8.208 6.792 10 HH11 ARG 46 HH11 ARG 46 -0.157 -8.399 10.265 11 HH12 ARG 46 HH12 ARG 46 -1.868 -8.072 10.202 12 HH21 ARG 46 HH21 ARG 46 -1.960 -7.735 6.707 13 HH22 ARG 46 HH22 ARG 46 -2.891 -7.642 8.170 No H/Q in entry = 13 In of MODEL 16 1 H ILE 47 H ILE 47 5.085 -5.400 6.644 2 HA ILE 47 HA ILE 47 7.191 -4.642 8.505 3 HB ILE 47 HB ILE 47 5.450 -2.886 6.751 4 HG12 ILE 47 HG12 ILE 47 8.309 -3.737 6.293 5 HG13 ILE 47 HG13 ILE 47 6.932 -4.455 5.457 6 HG21 ILE 47 HG21 ILE 47 6.383 -1.716 8.678 7 HG22 ILE 47 HG22 ILE 47 7.998 -2.281 8.253 8 HG23 ILE 47 HG23 ILE 47 7.145 -1.166 7.185 9 HD11 ILE 47 HD11 ILE 47 7.477 -1.503 5.375 10 HD12 ILE 47 HD12 ILE 47 8.216 -2.622 4.232 11 HD13 ILE 47 HD13 ILE 47 6.465 -2.468 4.302 No H/Q in entry = 11 In of MODEL 16 1 H GLU 48 H GLU 48 6.830 -3.579 10.393 2 HA GLU 48 HA GLU 48 4.029 -3.500 11.247 3 HB2 GLU 48 HB2 GLU 48 5.232 -3.357 13.585 4 HB3 GLU 48 HB3 GLU 48 4.982 -4.885 12.782 5 HG2 GLU 48 HG2 GLU 48 7.122 -5.059 13.447 6 HG3 GLU 48 HG3 GLU 48 7.339 -4.379 11.849 No H/Q in entry = 6 In of MODEL 16 1 H LYS 49 H LYS 49 6.954 -1.479 11.194 2 HA LYS 49 HA LYS 49 5.784 0.759 12.375 3 HB2 LYS 49 HB2 LYS 49 8.059 0.628 10.406 4 HB3 LYS 49 HB3 LYS 49 7.719 1.945 11.525 5 HG2 LYS 49 HG2 LYS 49 7.971 -0.721 12.727 6 HG3 LYS 49 HG3 LYS 49 9.438 -0.048 12.029 7 HD2 LYS 49 HD2 LYS 49 9.334 1.854 13.455 8 HD3 LYS 49 HD3 LYS 49 7.677 1.492 13.927 9 HE2 LYS 49 HE2 LYS 49 8.498 -0.557 15.063 10 HE3 LYS 49 HE3 LYS 49 10.150 -0.078 14.676 11 HZ1 LYS 49 HZ1 LYS 49 9.798 1.965 15.942 12 HZ2 LYS 49 HZ2 LYS 49 8.237 1.448 16.357 13 HZ3 LYS 49 HZ3 LYS 49 9.591 0.586 16.906 No H/Q in entry = 13 In of MODEL 16 1 H VAL 50 H VAL 50 4.536 -0.552 9.763 2 HA VAL 50 HA VAL 50 4.117 1.666 8.048 3 HB VAL 50 HB VAL 50 2.390 -0.762 8.543 4 HG11 VAL 50 HG11 VAL 50 1.138 1.081 7.501 5 HG12 VAL 50 HG12 VAL 50 2.358 1.172 6.226 6 HG13 VAL 50 HG13 VAL 50 1.364 -0.275 6.387 7 HG21 VAL 50 HG21 VAL 50 4.514 -0.209 6.483 8 HG22 VAL 50 HG22 VAL 50 4.591 -1.380 7.801 9 HG23 VAL 50 HG23 VAL 50 3.447 -1.609 6.484 No H/Q in entry = 9 In of MODEL 16 1 H GLU 51 H GLU 51 2.575 3.245 8.079 2 HA GLU 51 HA GLU 51 0.586 3.144 10.231 3 HB2 GLU 51 HB2 GLU 51 2.154 5.608 9.432 4 HB3 GLU 51 HB3 GLU 51 0.841 5.556 10.602 5 HG2 GLU 51 HG2 GLU 51 2.239 3.952 11.939 6 HG3 GLU 51 HG3 GLU 51 3.570 4.321 10.841 No H/Q in entry = 6 In of MODEL 16 1 H HIS 52 H HIS 52 -1.357 3.966 9.775 2 HA HIS 52 HA HIS 52 -1.795 5.016 7.059 3 HB2 HIS 52 HB2 HIS 52 -4.177 4.359 7.306 4 HB3 HIS 52 HB3 HIS 52 -3.080 2.988 7.333 5 HD2 HIS 52 HD2 HIS 52 -2.623 2.042 10.109 6 HE1 HIS 52 HE1 HIS 52 -6.489 3.355 11.220 7 HE2 HIS 52 HE2 HIS 52 -4.413 2.118 11.981 No H/Q in entry = 7 In of MODEL 16 1 H SER 53 H SER 53 -2.359 7.075 6.905 2 HA SER 53 HA SER 53 -2.666 8.578 9.369 3 HB2 SER 53 HB2 SER 53 -1.169 9.323 7.465 4 HB3 SER 53 HB3 SER 53 -2.633 9.669 6.548 5 HG SER 53 HG SER 53 -1.850 10.837 9.025 No H/Q in entry = 5 In of MODEL 16 1 H ASP 54 H ASP 54 -4.224 10.716 8.329 2 HA ASP 54 HA ASP 54 -6.749 10.075 9.199 3 HB2 ASP 54 HB2 ASP 54 -5.948 12.376 8.850 4 HB3 ASP 54 HB3 ASP 54 -6.047 12.147 7.108 No H/Q in entry = 4 In of MODEL 16 1 H LEU 55 H LEU 55 -8.387 8.970 8.475 2 HA LEU 55 HA LEU 55 -8.231 7.088 6.534 3 HB2 LEU 55 HB2 LEU 55 -9.966 7.195 8.289 4 HB3 LEU 55 HB3 LEU 55 -10.790 8.447 7.377 5 HG LEU 55 HG LEU 55 -11.083 6.824 5.499 6 HD11 LEU 55 HD11 LEU 55 -9.254 5.305 6.058 7 HD12 LEU 55 HD12 LEU 55 -10.112 4.805 7.517 8 HD13 LEU 55 HD13 LEU 55 -10.793 4.453 5.927 9 HD21 LEU 55 HD21 LEU 55 -12.860 7.288 7.136 10 HD22 LEU 55 HD22 LEU 55 -12.926 5.638 6.521 11 HD23 LEU 55 HD23 LEU 55 -12.277 5.953 8.130 No H/Q in entry = 11 In of MODEL 16 1 H SER 56 H SER 56 -10.548 9.723 5.985 2 HA SER 56 HA SER 56 -9.615 10.262 3.340 3 HB2 SER 56 HB2 SER 56 -10.644 7.996 3.030 4 HB3 SER 56 HB3 SER 56 -12.180 8.661 3.579 5 HG SER 56 HG SER 56 -12.394 9.755 1.742 No H/Q in entry = 5 In of MODEL 16 1 H PHE 57 H PHE 57 -11.270 11.618 2.145 2 HA PHE 57 HA PHE 57 -12.915 13.140 4.047 3 HB2 PHE 57 HB2 PHE 57 -12.526 15.129 2.661 4 HB3 PHE 57 HB3 PHE 57 -11.001 14.464 3.229 5 HD1 PHE 57 HD1 PHE 57 -9.538 13.226 1.658 6 HD2 PHE 57 HD2 PHE 57 -13.031 15.273 0.352 7 HE1 PHE 57 HE1 PHE 57 -8.709 13.163 -0.656 8 HE2 PHE 57 HE2 PHE 57 -12.208 15.217 -1.963 9 HZ PHE 57 HZ PHE 57 -10.042 14.157 -2.469 No H/Q in entry = 9 In of MODEL 16 1 H SER 58 H SER 58 -15.011 13.549 3.462 2 HA SER 58 HA SER 58 -16.206 11.927 1.468 3 HB2 SER 58 HB2 SER 58 -17.424 14.363 2.787 4 HB3 SER 58 HB3 SER 58 -18.274 12.978 2.103 5 HG SER 58 HG SER 58 -17.910 11.864 3.871 No H/Q in entry = 5 In of MODEL 16 1 H LYS 59 H LYS 59 -16.834 12.422 -0.630 2 HA LYS 59 HA LYS 59 -16.755 15.129 -1.557 3 HB2 LYS 59 HB2 LYS 59 -14.340 14.458 -1.618 4 HB3 LYS 59 HB3 LYS 59 -14.770 13.223 -2.798 5 HG2 LYS 59 HG2 LYS 59 -13.872 15.271 -3.833 6 HG3 LYS 59 HG3 LYS 59 -15.522 14.903 -4.351 7 HD2 LYS 59 HD2 LYS 59 -16.341 16.496 -2.599 8 HD3 LYS 59 HD3 LYS 59 -14.664 16.945 -2.296 9 HE2 LYS 59 HE2 LYS 59 -16.162 17.287 -4.897 10 HE3 LYS 59 HE3 LYS 59 -15.769 18.559 -3.746 11 HZ1 LYS 59 HZ1 LYS 59 -13.397 18.050 -4.136 12 HZ2 LYS 59 HZ2 LYS 59 -13.852 16.973 -5.366 13 HZ3 LYS 59 HZ3 LYS 59 -14.204 18.624 -5.513 No H/Q in entry = 13 In of MODEL 16 1 H ASP 60 H ASP 60 -16.293 11.960 -3.245 2 HA ASP 60 HA ASP 60 -18.512 12.763 -4.969 3 HB2 ASP 60 HB2 ASP 60 -16.271 12.169 -5.955 4 HB3 ASP 60 HB3 ASP 60 -16.505 10.531 -5.356 No H/Q in entry = 4 In of MODEL 16 1 H TRP 61 H TRP 61 -17.208 9.740 -3.629 2 HA TRP 61 HA TRP 61 -19.512 9.018 -2.194 3 HB2 TRP 61 HB2 TRP 61 -20.522 8.701 -4.410 4 HB3 TRP 61 HB3 TRP 61 -19.198 7.639 -4.873 5 HD1 TRP 61 HD1 TRP 61 -21.499 7.593 -1.732 6 HE1 TRP 61 HE1 TRP 61 -22.483 5.221 -1.505 7 HE3 TRP 61 HE3 TRP 61 -19.432 5.481 -5.896 8 HZ2 TRP 61 HZ2 TRP 61 -22.390 2.780 -2.922 9 HZ3 TRP 61 HZ3 TRP 61 -19.918 3.133 -6.407 10 HH2 TRP 61 HH2 TRP 61 -21.386 1.792 -4.930 No H/Q in entry = 10 In of MODEL 16 1 H SER 62 H SER 62 -16.901 7.633 -4.177 2 HA SER 62 HA SER 62 -16.392 5.526 -2.300 3 HB2 SER 62 HB2 SER 62 -14.777 6.548 -4.658 4 HB3 SER 62 HB3 SER 62 -14.420 5.057 -3.771 5 HG SER 62 HG SER 62 -17.025 5.291 -4.640 No H/Q in entry = 5 In of MODEL 16 1 H PHE 63 H PHE 63 -14.771 5.363 -0.800 2 HA PHE 63 HA PHE 63 -13.395 7.862 -0.098 3 HB2 PHE 63 HB2 PHE 63 -13.886 5.387 1.592 4 HB3 PHE 63 HB3 PHE 63 -13.144 6.875 2.151 5 HD1 PHE 63 HD1 PHE 63 -16.332 5.490 0.808 6 HD2 PHE 63 HD2 PHE 63 -14.455 8.576 3.073 7 HE1 PHE 63 HE1 PHE 63 -18.549 6.305 1.538 8 HE2 PHE 63 HE2 PHE 63 -16.668 9.389 3.807 9 HZ PHE 63 HZ PHE 63 -18.707 8.255 3.029 No H/Q in entry = 9 In of MODEL 16 1 H TYR 64 H TYR 64 -11.215 7.627 0.813 2 HA TYR 64 HA TYR 64 -9.679 5.593 -0.677 3 HB2 TYR 64 HB2 TYR 64 -8.641 8.337 0.027 4 HB3 TYR 64 HB3 TYR 64 -8.057 7.239 -1.217 5 HD1 TYR 64 HD1 TYR 64 -10.260 9.964 -0.455 6 HD2 TYR 64 HD2 TYR 64 -9.497 6.879 -3.281 7 HE1 TYR 64 HE1 TYR 64 -11.647 11.144 -2.104 8 HE2 TYR 64 HE2 TYR 64 -10.878 8.053 -4.944 9 HH TYR 64 HH TYR 64 -12.723 9.698 -4.967 No H/Q in entry = 9 In of MODEL 16 1 H LEU 65 H LEU 65 -7.834 4.724 0.408 2 HA LEU 65 HA LEU 65 -7.284 5.709 3.094 3 HB2 LEU 65 HB2 LEU 65 -8.805 4.035 3.635 4 HB3 LEU 65 HB3 LEU 65 -8.209 2.947 2.398 5 HG LEU 65 HG LEU 65 -6.299 3.572 4.575 6 HD11 LEU 65 HD11 LEU 65 -8.549 3.432 5.686 7 HD12 LEU 65 HD12 LEU 65 -8.665 1.781 5.080 8 HD13 LEU 65 HD13 LEU 65 -7.381 2.223 6.205 9 HD21 LEU 65 HD21 LEU 65 -7.243 1.032 3.247 10 HD22 LEU 65 HD22 LEU 65 -5.814 1.961 2.797 11 HD23 LEU 65 HD23 LEU 65 -5.892 1.172 4.371 No H/Q in entry = 11 In of MODEL 16 1 H LEU 66 H LEU 66 -5.212 5.736 3.611 2 HA LEU 66 HA LEU 66 -3.339 4.719 1.581 3 HB2 LEU 66 HB2 LEU 66 -3.794 7.290 2.125 4 HB3 LEU 66 HB3 LEU 66 -2.640 6.968 3.384 5 HG LEU 66 HG LEU 66 -2.103 6.570 0.454 6 HD11 LEU 66 HD11 LEU 66 -1.236 8.757 2.332 7 HD12 LEU 66 HD12 LEU 66 -0.660 8.548 0.680 8 HD13 LEU 66 HD13 LEU 66 -2.357 8.924 0.984 9 HD21 LEU 66 HD21 LEU 66 -0.793 5.082 1.869 10 HD22 LEU 66 HD22 LEU 66 0.223 6.314 1.124 11 HD23 LEU 66 HD23 LEU 66 -0.248 6.463 2.816 No H/Q in entry = 11 In of MODEL 16 1 H TYR 67 H TYR 67 -1.789 3.369 2.237 2 HA TYR 67 HA TYR 67 -1.050 3.298 5.090 3 HB2 TYR 67 HB2 TYR 67 -1.651 1.091 3.204 4 HB3 TYR 67 HB3 TYR 67 -0.297 0.852 4.298 5 HD1 TYR 67 HD1 TYR 67 -0.669 0.789 6.733 6 HD2 TYR 67 HD2 TYR 67 -3.927 1.009 3.999 7 HE1 TYR 67 HE1 TYR 67 -2.194 0.011 8.496 8 HE2 TYR 67 HE2 TYR 67 -5.442 0.216 5.748 9 HH TYR 67 HH TYR 67 -4.676 0.192 8.987 No H/Q in entry = 9 In of MODEL 16 1 H TYR 68 H TYR 68 0.948 3.988 5.427 2 HA TYR 68 HA TYR 68 2.953 3.514 3.332 3 HB2 TYR 68 HB2 TYR 68 3.730 5.842 3.443 4 HB3 TYR 68 HB3 TYR 68 2.042 5.770 2.926 5 HD1 TYR 68 HD1 TYR 68 0.264 6.585 4.392 6 HD2 TYR 68 HD2 TYR 68 4.350 6.826 5.554 7 HE1 TYR 68 HE1 TYR 68 -0.336 8.216 6.133 8 HE2 TYR 68 HE2 TYR 68 3.763 8.441 7.310 9 HH TYR 68 HH TYR 68 0.674 8.958 8.390 No H/Q in entry = 9 In of MODEL 16 1 H THR 69 H THR 69 5.168 4.074 4.037 2 HA THR 69 HA THR 69 5.639 4.261 6.886 3 HB THR 69 HB THR 69 5.301 1.796 6.551 4 HG1 THR 69 HG1 THR 69 6.598 2.285 8.252 5 HG21 THR 69 HG21 THR 69 7.714 2.097 4.759 6 HG22 THR 69 HG22 THR 69 7.193 0.558 5.443 7 HG23 THR 69 HG23 THR 69 6.131 1.432 4.334 No H/Q in entry = 7 In of MODEL 16 1 H GLU 70 H GLU 70 7.742 4.875 7.370 2 HA GLU 70 HA GLU 70 9.265 5.994 5.150 3 HB2 GLU 70 HB2 GLU 70 8.821 7.337 7.216 4 HB3 GLU 70 HB3 GLU 70 9.756 6.172 8.141 5 HG2 GLU 70 HG2 GLU 70 11.754 6.752 6.874 6 HG3 GLU 70 HG3 GLU 70 10.818 7.898 5.916 No H/Q in entry = 6 In of MODEL 16 1 H PHE 71 H PHE 71 11.199 5.174 4.446 2 HA PHE 71 HA PHE 71 12.357 2.906 5.824 3 HB2 PHE 71 HB2 PHE 71 12.088 1.338 3.980 4 HB3 PHE 71 HB3 PHE 71 10.517 1.869 4.562 5 HD1 PHE 71 HD1 PHE 71 11.480 0.616 1.872 6 HD2 PHE 71 HD2 PHE 71 10.476 4.559 3.085 7 HE1 PHE 71 HE1 PHE 71 10.819 1.140 -0.434 8 HE2 PHE 71 HE2 PHE 71 9.828 5.105 0.788 9 HZ PHE 71 HZ PHE 71 10.005 3.409 -0.999 No H/Q in entry = 9 In of MODEL 16 1 H THR 72 H THR 72 14.344 2.132 4.740 2 HA THR 72 HA THR 72 15.536 4.189 3.009 3 HB THR 72 HB THR 72 16.953 2.590 5.148 4 HG1 THR 72 HG1 THR 72 15.396 4.599 5.510 5 HG21 THR 72 HG21 THR 72 18.405 3.184 3.263 6 HG22 THR 72 HG22 THR 72 17.914 4.872 3.413 7 HG23 THR 72 HG23 THR 72 18.834 4.099 4.708 No H/Q in entry = 7 In of MODEL 16 1 HA PRO 73 HA PRO 73 15.392 0.287 0.505 2 HB2 PRO 73 HB2 PRO 73 16.170 1.814 -1.748 3 HB3 PRO 73 HB3 PRO 73 14.526 1.309 -1.327 4 HG2 PRO 73 HG2 PRO 73 15.909 3.902 -0.847 5 HG3 PRO 73 HG3 PRO 73 14.202 3.598 -1.220 6 HD2 PRO 73 HD2 PRO 73 14.976 4.236 1.253 7 HD3 PRO 73 HD3 PRO 73 13.700 3.023 0.981 No H/Q in entry = 7 In of MODEL 16 1 H THR 74 H THR 74 16.944 -0.997 -0.246 2 HA THR 74 HA THR 74 19.708 -0.011 -0.363 3 HB THR 74 HB THR 74 20.509 -2.065 0.621 4 HG1 THR 74 HG1 THR 74 17.822 -2.869 0.304 5 HG21 THR 74 HG21 THR 74 19.754 -0.338 2.216 6 HG22 THR 74 HG22 THR 74 18.162 -1.095 2.245 7 HG23 THR 74 HG23 THR 74 19.564 -1.969 2.862 No H/Q in entry = 7 In of MODEL 16 1 H GLU 75 H GLU 75 20.962 -2.225 -1.415 2 HA GLU 75 HA GLU 75 19.905 -2.170 -4.129 3 HB2 GLU 75 HB2 GLU 75 22.424 -2.141 -3.201 4 HB3 GLU 75 HB3 GLU 75 22.231 -3.865 -3.393 5 HG2 GLU 75 HG2 GLU 75 23.119 -3.279 -5.386 6 HG3 GLU 75 HG3 GLU 75 21.405 -3.202 -5.742 No H/Q in entry = 6 In of MODEL 16 1 H LYS 76 H LYS 76 20.163 -4.293 -1.400 2 HA LYS 76 HA LYS 76 19.547 -6.687 -2.828 3 HB2 LYS 76 HB2 LYS 76 20.230 -6.149 0.052 4 HB3 LYS 76 HB3 LYS 76 19.850 -7.743 -0.578 5 HG2 LYS 76 HG2 LYS 76 22.183 -6.008 -1.360 6 HG3 LYS 76 HG3 LYS 76 22.223 -7.564 -0.510 7 HD2 LYS 76 HD2 LYS 76 21.279 -8.667 -2.445 8 HD3 LYS 76 HD3 LYS 76 21.158 -7.116 -3.276 9 HE2 LYS 76 HE2 LYS 76 23.108 -8.292 -4.095 10 HE3 LYS 76 HE3 LYS 76 23.642 -6.915 -3.127 11 HZ1 LYS 76 HZ1 LYS 76 23.927 -8.464 -1.238 12 HZ2 LYS 76 HZ2 LYS 76 23.541 -9.759 -2.261 13 HZ3 LYS 76 HZ3 LYS 76 24.932 -8.841 -2.552 No H/Q in entry = 13 In of MODEL 16 1 H ASP 77 H ASP 77 17.773 -4.351 -0.905 2 HA ASP 77 HA ASP 77 15.976 -6.498 -0.026 3 HB2 ASP 77 HB2 ASP 77 15.118 -5.000 1.659 4 HB3 ASP 77 HB3 ASP 77 16.869 -4.912 1.705 No H/Q in entry = 4 In of MODEL 16 1 H GLU 78 H GLU 78 13.589 -5.656 0.149 2 HA GLU 78 HA GLU 78 12.659 -4.115 -2.078 3 HB2 GLU 78 HB2 GLU 78 13.354 -6.232 -3.186 4 HB3 GLU 78 HB3 GLU 78 12.239 -7.120 -2.165 5 HG2 GLU 78 HG2 GLU 78 11.243 -6.812 -4.317 6 HG3 GLU 78 HG3 GLU 78 10.370 -5.776 -3.187 No H/Q in entry = 6 In of MODEL 16 1 H TYR 79 H TYR 79 10.409 -3.746 -1.944 2 HA TYR 79 HA TYR 79 9.171 -4.861 0.459 3 HB2 TYR 79 HB2 TYR 79 8.606 -2.005 -0.320 4 HB3 TYR 79 HB3 TYR 79 8.393 -2.806 1.238 5 HD1 TYR 79 HD1 TYR 79 9.825 -2.262 2.930 6 HD2 TYR 79 HD2 TYR 79 11.202 -1.882 -1.081 7 HE1 TYR 79 HE1 TYR 79 11.942 -1.301 3.748 8 HE2 TYR 79 HE2 TYR 79 13.327 -0.957 -0.265 9 HH TYR 79 HH TYR 79 14.594 -1.263 2.317 No H/Q in entry = 9 In of MODEL 16 1 H ALA 80 H ALA 80 6.809 -4.709 0.491 2 HA ALA 80 HA ALA 80 5.610 -4.659 -2.190 3 HB1 ALA 80 HB1 ALA 80 6.449 -6.946 -1.863 4 HB2 ALA 80 HB2 ALA 80 4.696 -6.870 -2.038 5 HB3 ALA 80 HB3 ALA 80 5.410 -7.096 -0.441 No H/Q in entry = 5 In of MODEL 16 1 H CYS 81 H CYS 81 3.214 -4.923 -2.129 2 HA CYS 81 HA CYS 81 2.095 -3.877 0.400 3 HB2 CYS 81 HB2 CYS 81 1.609 -3.212 -2.465 4 HB3 CYS 81 HB3 CYS 81 0.218 -3.199 -1.389 No H/Q in entry = 4 In of MODEL 16 1 H ARG 82 H ARG 82 0.500 -5.042 1.335 2 HA ARG 82 HA ARG 82 -0.747 -7.270 -0.179 3 HB2 ARG 82 HB2 ARG 82 0.815 -7.814 1.819 4 HB3 ARG 82 HB3 ARG 82 -0.468 -7.134 2.815 5 HG2 ARG 82 HG2 ARG 82 -1.995 -8.830 1.631 6 HG3 ARG 82 HG3 ARG 82 -0.492 -9.632 1.171 7 HD2 ARG 82 HD2 ARG 82 -1.487 -9.056 3.956 8 HD3 ARG 82 HD3 ARG 82 -1.297 -10.631 3.202 9 HE ARG 82 HE ARG 82 0.905 -8.862 4.037 10 HH11 ARG 82 HH11 ARG 82 -0.339 -12.034 3.202 11 HH12 ARG 82 HH12 ARG 82 1.032 -12.890 3.853 12 HH21 ARG 82 HH21 ARG 82 2.709 -9.980 4.888 13 HH22 ARG 82 HH22 ARG 82 2.786 -11.715 4.801 No H/Q in entry = 13 In of MODEL 16 1 H VAL 83 H VAL 83 -3.025 -7.344 -0.131 2 HA VAL 83 HA VAL 83 -4.331 -5.677 1.918 3 HB VAL 83 HB VAL 83 -5.835 -4.609 0.541 4 HG11 VAL 83 HG11 VAL 83 -3.295 -4.795 -1.025 5 HG12 VAL 83 HG12 VAL 83 -4.560 -3.598 -1.297 6 HG13 VAL 83 HG13 VAL 83 -3.697 -3.637 0.244 7 HG21 VAL 83 HG21 VAL 83 -5.164 -6.557 -1.655 8 HG22 VAL 83 HG22 VAL 83 -6.660 -6.491 -0.721 9 HG23 VAL 83 HG23 VAL 83 -6.247 -5.176 -1.821 No H/Q in entry = 9 In of MODEL 16 1 H ASN 84 H ASN 84 -6.206 -6.375 2.701 2 HA ASN 84 HA ASN 84 -7.082 -9.065 1.888 3 HB2 ASN 84 HB2 ASN 84 -7.287 -7.712 4.605 4 HB3 ASN 84 HB3 ASN 84 -7.949 -9.279 4.240 5 HD21 ASN 84 HD21 ASN 84 -5.026 -7.469 4.796 6 HD22 ASN 84 HD22 ASN 84 -4.000 -8.858 5.026 No H/Q in entry = 6 In of MODEL 16 1 H HIS 85 H HIS 85 -9.003 -8.946 0.692 2 HA HIS 85 HA HIS 85 -11.214 -7.717 2.118 3 HB2 HIS 85 HB2 HIS 85 -10.238 -6.259 0.141 4 HB3 HIS 85 HB3 HIS 85 -11.088 -7.428 -0.866 5 HD2 HIS 85 HD2 HIS 85 -12.026 -4.960 2.081 6 HE1 HIS 85 HE1 HIS 85 -15.291 -5.409 -0.583 7 HE2 HIS 85 HE2 HIS 85 -14.372 -4.081 1.369 No H/Q in entry = 7 In of MODEL 16 1 H VAL 86 H VAL 86 -13.263 -8.676 1.447 2 HA VAL 86 HA VAL 86 -12.998 -11.491 1.265 3 HB VAL 86 HB VAL 86 -14.853 -10.312 2.454 4 HG11 VAL 86 HG11 VAL 86 -15.866 -9.812 -0.340 5 HG12 VAL 86 HG12 VAL 86 -16.799 -9.565 1.137 6 HG13 VAL 86 HG13 VAL 86 -15.358 -8.594 0.831 7 HG21 VAL 86 HG21 VAL 86 -15.697 -12.320 0.366 8 HG22 VAL 86 HG22 VAL 86 -15.047 -12.681 1.966 9 HG23 VAL 86 HG23 VAL 86 -16.620 -11.898 1.809 No H/Q in entry = 9 In of MODEL 16 1 H THR 87 H THR 87 -13.323 -9.010 -1.095 2 HA THR 87 HA THR 87 -14.578 -10.410 -3.173 3 HB THR 87 HB THR 87 -13.431 -8.655 -4.599 4 HG1 THR 87 HG1 THR 87 -12.803 -7.177 -2.352 5 HG21 THR 87 HG21 THR 87 -15.097 -7.865 -2.230 6 HG22 THR 87 HG22 THR 87 -14.694 -6.751 -3.540 7 HG23 THR 87 HG23 THR 87 -15.641 -8.210 -3.873 No H/Q in entry = 7 In of MODEL 16 1 H LEU 88 H LEU 88 -11.200 -9.768 -2.460 2 HA LEU 88 HA LEU 88 -10.164 -10.933 -4.804 3 HB2 LEU 88 HB2 LEU 88 -8.861 -10.480 -2.112 4 HB3 LEU 88 HB3 LEU 88 -7.990 -10.990 -3.546 5 HG LEU 88 HG LEU 88 -9.433 -8.367 -3.152 6 HD11 LEU 88 HD11 LEU 88 -6.507 -9.046 -3.476 7 HD12 LEU 88 HD12 LEU 88 -7.178 -7.408 -3.440 8 HD13 LEU 88 HD13 LEU 88 -7.297 -8.447 -2.008 9 HD21 LEU 88 HD21 LEU 88 -8.024 -9.460 -5.584 10 HD22 LEU 88 HD22 LEU 88 -9.744 -9.090 -5.435 11 HD23 LEU 88 HD23 LEU 88 -8.552 -7.788 -5.387 No H/Q in entry = 11 In of MODEL 16 1 H SER 89 H SER 89 -11.355 -12.261 -1.906 2 HA SER 89 HA SER 89 -11.592 -14.311 -1.020 3 HB2 SER 89 HB2 SER 89 -10.576 -15.686 -3.455 4 HB3 SER 89 HB3 SER 89 -11.862 -16.157 -2.362 5 HG SER 89 HG SER 89 -11.953 -14.654 -4.622 No H/Q in entry = 5 In of MODEL 16 1 H GLN 90 H GLN 90 -8.611 -13.386 -2.384 2 HA GLN 90 HA GLN 90 -7.113 -14.875 -0.394 3 HB2 GLN 90 HB2 GLN 90 -5.746 -14.771 -2.991 4 HB3 GLN 90 HB3 GLN 90 -5.835 -16.091 -1.840 5 HG2 GLN 90 HG2 GLN 90 -8.074 -15.432 -3.733 6 HG3 GLN 90 HG3 GLN 90 -6.753 -16.511 -4.161 7 HE21 GLN 90 HE21 GLN 90 -9.651 -16.983 -3.897 8 HE22 GLN 90 HE22 GLN 90 -9.798 -18.279 -2.748 No H/Q in entry = 8 In of MODEL 16 1 HA PRO 91 HA PRO 91 -5.905 -10.528 -0.072 2 HB2 PRO 91 HB2 PRO 91 -3.569 -11.974 1.139 3 HB3 PRO 91 HB3 PRO 91 -4.369 -10.482 1.679 4 HG2 PRO 91 HG2 PRO 91 -4.949 -12.723 2.904 5 HG3 PRO 91 HG3 PRO 91 -6.275 -11.635 2.411 6 HD2 PRO 91 HD2 PRO 91 -5.342 -14.208 1.148 7 HD3 PRO 91 HD3 PRO 91 -7.017 -13.596 1.351 No H/Q in entry = 7 In of MODEL 16 1 H LYS 92 H LYS 92 -4.317 -9.156 -0.995 2 HA LYS 92 HA LYS 92 -3.116 -10.485 -3.324 3 HB2 LYS 92 HB2 LYS 92 -5.074 -9.018 -3.814 4 HB3 LYS 92 HB3 LYS 92 -4.157 -7.659 -3.176 5 HG2 LYS 92 HG2 LYS 92 -3.982 -7.670 -5.573 6 HG3 LYS 92 HG3 LYS 92 -2.413 -8.093 -4.861 7 HD2 LYS 92 HD2 LYS 92 -2.747 -9.633 -6.622 8 HD3 LYS 92 HD3 LYS 92 -3.093 -10.502 -5.125 9 HE2 LYS 92 HE2 LYS 92 -5.520 -10.007 -5.504 10 HE3 LYS 92 HE3 LYS 92 -5.081 -9.382 -7.092 11 HZ1 LYS 92 HZ1 LYS 92 -4.153 -11.567 -7.631 12 HZ2 LYS 92 HZ2 LYS 92 -4.627 -12.149 -6.108 13 HZ3 LYS 92 HZ3 LYS 92 -5.798 -11.674 -7.237 No H/Q in entry = 13 In of MODEL 16 1 H ILE 93 H ILE 93 -0.994 -10.268 -3.565 2 HA ILE 93 HA ILE 93 0.334 -8.057 -2.141 3 HB ILE 93 HB ILE 93 1.516 -10.682 -3.050 4 HG12 ILE 93 HG12 ILE 93 2.053 -10.775 -0.503 5 HG13 ILE 93 HG13 ILE 93 0.773 -9.583 -0.355 6 HG21 ILE 93 HG21 ILE 93 3.097 -8.847 -3.351 7 HG22 ILE 93 HG22 ILE 93 2.884 -8.391 -1.659 8 HG23 ILE 93 HG23 ILE 93 3.608 -9.946 -2.067 9 HD11 ILE 93 HD11 ILE 93 0.486 -12.335 -1.530 10 HD12 ILE 93 HD12 ILE 93 -0.034 -11.829 0.076 11 HD13 ILE 93 HD13 ILE 93 -0.799 -11.143 -1.355 No H/Q in entry = 11 In of MODEL 16 1 H VAL 94 H VAL 94 1.228 -6.546 -3.303 2 HA VAL 94 HA VAL 94 2.193 -7.172 -6.004 3 HB VAL 94 HB VAL 94 0.831 -4.597 -5.163 4 HG11 VAL 94 HG11 VAL 94 2.701 -4.180 -6.694 5 HG12 VAL 94 HG12 VAL 94 2.039 -5.354 -7.827 6 HG13 VAL 94 HG13 VAL 94 1.151 -3.870 -7.475 7 HG21 VAL 94 HG21 VAL 94 -0.004 -6.720 -7.139 8 HG22 VAL 94 HG22 VAL 94 -0.750 -6.399 -5.573 9 HG23 VAL 94 HG23 VAL 94 -0.841 -5.194 -6.855 No H/Q in entry = 9 In of MODEL 16 1 H LYS 95 H LYS 95 4.219 -6.610 -6.316 2 HA LYS 95 HA LYS 95 5.762 -5.726 -4.053 3 HB2 LYS 95 HB2 LYS 95 6.506 -6.477 -6.852 4 HB3 LYS 95 HB3 LYS 95 7.675 -5.832 -5.713 5 HG2 LYS 95 HG2 LYS 95 7.119 -7.722 -4.186 6 HG3 LYS 95 HG3 LYS 95 6.156 -8.415 -5.497 7 HD2 LYS 95 HD2 LYS 95 8.022 -8.694 -6.878 8 HD3 LYS 95 HD3 LYS 95 9.013 -7.606 -5.915 9 HE2 LYS 95 HE2 LYS 95 9.764 -9.815 -5.483 10 HE3 LYS 95 HE3 LYS 95 8.886 -9.276 -4.054 11 HZ1 LYS 95 HZ1 LYS 95 7.773 -11.008 -6.204 12 HZ2 LYS 95 HZ2 LYS 95 8.304 -11.554 -4.689 13 HZ3 LYS 95 HZ3 LYS 95 6.957 -10.530 -4.798 No H/Q in entry = 13 In of MODEL 16 1 H TRP 96 H TRP 96 7.107 -3.895 -3.945 2 HA TRP 96 HA TRP 96 6.093 -1.600 -5.399 3 HB2 TRP 96 HB2 TRP 96 6.504 -1.241 -3.033 4 HB3 TRP 96 HB3 TRP 96 8.153 -1.862 -3.164 5 HD1 TRP 96 HD1 TRP 96 6.045 1.082 -4.517 6 HE1 TRP 96 HE1 TRP 96 7.577 3.093 -4.848 7 HE3 TRP 96 HE3 TRP 96 10.474 -1.094 -3.211 8 HZ2 TRP 96 HZ2 TRP 96 10.342 3.709 -4.534 9 HZ3 TRP 96 HZ3 TRP 96 12.521 0.262 -3.248 10 HH2 TRP 96 HH2 TRP 96 12.455 2.635 -3.895 No H/Q in entry = 10 In of MODEL 16 1 H ASP 97 H ASP 97 7.089 -0.713 -7.099 2 HA ASP 97 HA ASP 97 9.940 -1.262 -7.465 3 HB2 ASP 97 HB2 ASP 97 9.694 -1.645 -9.819 4 HB3 ASP 97 HB3 ASP 97 8.578 -2.726 -8.991 No H/Q in entry = 4 In of MODEL 16 1 H ARG 98 H ARG 98 11.070 0.307 -8.491 2 HA ARG 98 HA ARG 98 9.924 2.990 -8.337 3 HB2 ARG 98 HB2 ARG 98 12.366 3.577 -9.046 4 HB3 ARG 98 HB3 ARG 98 12.074 3.033 -7.411 5 HG2 ARG 98 HG2 ARG 98 12.929 1.105 -9.576 6 HG3 ARG 98 HG3 ARG 98 14.114 2.100 -8.740 7 HD2 ARG 98 HD2 ARG 98 14.233 0.534 -7.121 8 HD3 ARG 98 HD3 ARG 98 12.534 0.862 -6.740 9 HE ARG 98 HE ARG 98 12.957 -0.994 -8.922 10 HH11 ARG 98 HH11 ARG 98 12.453 -0.613 -5.457 11 HH12 ARG 98 HH12 ARG 98 11.969 -2.270 -5.217 12 HH21 ARG 98 HH21 ARG 98 12.339 -3.158 -8.589 13 HH22 ARG 98 HH22 ARG 98 11.941 -3.715 -6.976 No H/Q in entry = 13 In of MODEL 16 1 H ASP 99 H ASP 99 10.991 0.624 -10.590 2 HA ASP 99 HA ASP 99 9.448 1.449 -12.725 3 HB2 ASP 99 HB2 ASP 99 11.047 3.447 -12.672 4 HB3 ASP 99 HB3 ASP 99 12.303 2.317 -13.177 No H/Q in entry = 4 In of MODEL 16 1 H MET 100 H MET 100 11.599 -0.419 -11.212 2 HA MET 100 HA MET 100 11.925 -2.330 -13.334 3 HB2 MET 100 HB2 MET 100 14.539 -2.285 -12.799 4 HB3 MET 100 HB3 MET 100 13.865 -1.071 -13.898 5 HG2 MET 100 HG2 MET 100 13.577 0.345 -11.745 6 HG3 MET 100 HG3 MET 100 14.752 -0.780 -11.064 7 HE1 MET 100 HE1 MET 100 14.083 1.827 -13.927 8 HE2 MET 100 HE2 MET 100 15.635 1.837 -14.763 9 HE3 MET 100 HE3 MET 100 14.615 0.397 -14.812 No H/Q in entry = 9 In of MODEL 17 1 HA ILE 2 HA ILE 2 -21.488 -8.943 -5.575 2 HB ILE 2 HB ILE 2 -23.135 -8.629 -3.495 3 HG12 ILE 2 HG12 ILE 2 -23.906 -10.990 -2.850 4 HG13 ILE 2 HG13 ILE 2 -22.336 -11.552 -3.402 5 HG21 ILE 2 HG21 ILE 2 -23.461 -10.654 -5.700 6 HG22 ILE 2 HG22 ILE 2 -24.774 -9.957 -4.752 7 HG23 ILE 2 HG23 ILE 2 -23.796 -8.926 -5.799 8 HD11 ILE 2 HD11 ILE 2 -21.258 -10.128 -1.728 9 HD12 ILE 2 HD12 ILE 2 -22.846 -9.597 -1.173 10 HD13 ILE 2 HD13 ILE 2 -22.372 -11.288 -1.003 No H/Q in entry = 10 In of MODEL 17 1 H GLN 3 H GLN 3 -19.849 -7.581 -5.464 2 HA GLN 3 HA GLN 3 -19.519 -5.591 -3.655 3 HB2 GLN 3 HB2 GLN 3 -18.911 -7.434 -2.007 4 HB3 GLN 3 HB3 GLN 3 -17.522 -7.800 -3.012 5 HG2 GLN 3 HG2 GLN 3 -16.982 -6.431 -1.012 6 HG3 GLN 3 HG3 GLN 3 -16.533 -5.670 -2.541 7 HE21 GLN 3 HE21 GLN 3 -18.754 -5.602 0.147 8 HE22 GLN 3 HE22 GLN 3 -19.349 -4.007 -0.140 No H/Q in entry = 8 In of MODEL 17 1 H ARG 4 H ARG 4 -16.961 -4.789 -3.863 2 HA ARG 4 HA ARG 4 -16.298 -5.267 -6.685 3 HB2 ARG 4 HB2 ARG 4 -17.342 -3.091 -6.543 4 HB3 ARG 4 HB3 ARG 4 -16.350 -2.658 -5.159 5 HG2 ARG 4 HG2 ARG 4 -14.439 -2.305 -6.443 6 HG3 ARG 4 HG3 ARG 4 -15.048 -3.281 -7.793 7 HD2 ARG 4 HD2 ARG 4 -15.042 -0.840 -8.253 8 HD3 ARG 4 HD3 ARG 4 -16.651 -1.557 -8.369 9 HE ARG 4 HE ARG 4 -16.299 -0.583 -5.766 10 HH11 ARG 4 HH11 ARG 4 -16.650 0.604 -9.035 11 HH12 ARG 4 HH12 ARG 4 -17.287 2.147 -8.545 12 HH21 ARG 4 HH21 ARG 4 -17.149 1.448 -5.111 13 HH22 ARG 4 HH22 ARG 4 -17.572 2.627 -6.316 No H/Q in entry = 13 In of MODEL 17 1 H THR 5 H THR 5 -14.131 -5.521 -7.140 2 HA THR 5 HA THR 5 -12.589 -6.353 -4.874 3 HB THR 5 HB THR 5 -10.990 -7.263 -6.448 4 HG1 THR 5 HG1 THR 5 -12.454 -5.723 -8.382 5 HG21 THR 5 HG21 THR 5 -13.859 -7.618 -7.303 6 HG22 THR 5 HG22 THR 5 -12.530 -8.565 -7.972 7 HG23 THR 5 HG23 THR 5 -12.900 -8.653 -6.254 No H/Q in entry = 7 In of MODEL 17 1 HA PRO 6 HA PRO 6 -10.368 -2.451 -4.562 2 HB2 PRO 6 HB2 PRO 6 -8.754 -3.794 -2.542 3 HB3 PRO 6 HB3 PRO 6 -9.849 -2.424 -2.352 4 HG2 PRO 6 HG2 PRO 6 -10.359 -4.910 -1.337 5 HG3 PRO 6 HG3 PRO 6 -11.637 -3.755 -1.796 6 HD2 PRO 6 HD2 PRO 6 -10.614 -6.162 -3.269 7 HD3 PRO 6 HD3 PRO 6 -12.264 -5.501 -3.159 No H/Q in entry = 7 In of MODEL 17 1 H LYS 7 H LYS 7 -8.694 -1.917 -5.816 2 HA LYS 7 HA LYS 7 -6.948 -4.077 -6.732 3 HB2 LYS 7 HB2 LYS 7 -8.149 -2.624 -8.400 4 HB3 LYS 7 HB3 LYS 7 -7.242 -1.246 -7.797 5 HG2 LYS 7 HG2 LYS 7 -5.154 -2.615 -8.407 6 HG3 LYS 7 HG3 LYS 7 -6.262 -3.599 -9.363 7 HD2 LYS 7 HD2 LYS 7 -5.321 -1.930 -10.802 8 HD3 LYS 7 HD3 LYS 7 -7.011 -1.510 -10.512 9 HE2 LYS 7 HE2 LYS 7 -6.324 0.105 -8.813 10 HE3 LYS 7 HE3 LYS 7 -4.636 -0.328 -9.071 11 HZ1 LYS 7 HZ1 LYS 7 -4.928 0.420 -11.416 12 HZ2 LYS 7 HZ2 LYS 7 -6.460 1.017 -10.988 13 HZ3 LYS 7 HZ3 LYS 7 -5.070 1.658 -10.265 No H/Q in entry = 13 In of MODEL 17 1 H ILE 8 H ILE 8 -4.665 -3.768 -6.825 2 HA ILE 8 HA ILE 8 -3.754 -2.254 -4.496 3 HB ILE 8 HB ILE 8 -2.045 -4.147 -6.075 4 HG12 ILE 8 HG12 ILE 8 -4.019 -5.434 -5.603 5 HG13 ILE 8 HG13 ILE 8 -2.770 -5.923 -4.467 6 HG21 ILE 8 HG21 ILE 8 -2.090 -3.294 -3.185 7 HG22 ILE 8 HG22 ILE 8 -0.959 -4.451 -3.890 8 HG23 ILE 8 HG23 ILE 8 -0.944 -2.766 -4.418 9 HD11 ILE 8 HD11 ILE 8 -5.033 -4.036 -3.889 10 HD12 ILE 8 HD12 ILE 8 -4.925 -5.725 -3.387 11 HD13 ILE 8 HD13 ILE 8 -3.783 -4.539 -2.749 No H/Q in entry = 11 In of MODEL 17 1 H GLN 9 H GLN 9 -2.741 -0.421 -4.735 2 HA GLN 9 HA GLN 9 -1.046 -0.061 -7.094 3 HB2 GLN 9 HB2 GLN 9 -2.134 2.513 -6.239 4 HB3 GLN 9 HB3 GLN 9 -2.236 1.823 -7.866 5 HG2 GLN 9 HG2 GLN 9 -4.187 0.605 -7.327 6 HG3 GLN 9 HG3 GLN 9 -4.088 1.043 -5.628 7 HE21 GLN 9 HE21 GLN 9 -4.575 3.173 -5.014 8 HE22 GLN 9 HE22 GLN 9 -5.482 4.239 -6.044 No H/Q in entry = 8 In of MODEL 17 1 H VAL 10 H VAL 10 0.935 0.250 -6.408 2 HA VAL 10 HA VAL 10 1.464 1.662 -3.910 3 HB VAL 10 HB VAL 10 1.557 -0.516 -3.036 4 HG11 VAL 10 HG11 VAL 10 1.331 -1.687 -5.191 5 HG12 VAL 10 HG12 VAL 10 3.059 -1.463 -5.467 6 HG13 VAL 10 HG13 VAL 10 2.501 -2.443 -4.108 7 HG21 VAL 10 HG21 VAL 10 4.355 0.164 -3.938 8 HG22 VAL 10 HG22 VAL 10 3.581 0.629 -2.422 9 HG23 VAL 10 HG23 VAL 10 3.972 -1.066 -2.734 No H/Q in entry = 9 In of MODEL 17 1 H TYR 11 H TYR 11 3.129 2.973 -4.012 2 HA TYR 11 HA TYR 11 5.295 2.652 -5.846 3 HB2 TYR 11 HB2 TYR 11 4.900 4.758 -7.091 4 HB3 TYR 11 HB3 TYR 11 3.662 3.555 -7.417 5 HD1 TYR 11 HD1 TYR 11 1.379 3.923 -6.760 6 HD2 TYR 11 HD2 TYR 11 4.372 6.786 -5.804 7 HE1 TYR 11 HE1 TYR 11 -0.373 5.566 -6.238 8 HE2 TYR 11 HE2 TYR 11 2.629 8.439 -5.277 9 HH TYR 11 HH TYR 11 -0.675 7.599 -4.972 No H/Q in entry = 9 In of MODEL 17 1 H SER 12 H SER 12 6.787 4.561 -5.675 2 HA SER 12 HA SER 12 6.983 5.263 -2.871 3 HB2 SER 12 HB2 SER 12 8.976 4.487 -4.115 4 HB3 SER 12 HB3 SER 12 8.824 5.868 -5.195 5 HG SER 12 HG SER 12 9.960 6.926 -3.809 No H/Q in entry = 5 In of MODEL 17 1 H ARG 13 H ARG 13 6.794 7.325 -2.021 2 HA ARG 13 HA ARG 13 5.016 9.129 -3.164 3 HB2 ARG 13 HB2 ARG 13 5.787 9.147 -0.757 4 HB3 ARG 13 HB3 ARG 13 7.309 9.837 -1.284 5 HG2 ARG 13 HG2 ARG 13 4.721 11.283 -1.795 6 HG3 ARG 13 HG3 ARG 13 5.551 11.383 -0.248 7 HD2 ARG 13 HD2 ARG 13 6.764 12.082 -2.919 8 HD3 ARG 13 HD3 ARG 13 6.136 13.239 -1.751 9 HE ARG 13 HE ARG 13 8.534 11.574 -1.408 10 HH11 ARG 13 HH11 ARG 13 6.567 14.304 -0.463 11 HH12 ARG 13 HH12 ARG 13 7.731 14.919 0.663 12 HH21 ARG 13 HH21 ARG 13 10.095 12.403 0.058 13 HH22 ARG 13 HH22 ARG 13 9.730 13.852 0.957 No H/Q in entry = 13 In of MODEL 17 1 H HIS 14 H HIS 14 8.502 9.050 -3.482 2 HA HIS 14 HA HIS 14 8.338 10.731 -5.839 3 HB2 HIS 14 HB2 HIS 14 9.747 11.492 -3.327 4 HB3 HIS 14 HB3 HIS 14 10.620 11.787 -4.827 5 HD2 HIS 14 HD2 HIS 14 7.220 12.463 -5.940 6 HE1 HIS 14 HE1 HIS 14 8.399 16.044 -4.029 7 HE2 HIS 14 HE2 HIS 14 6.882 15.028 -5.787 No H/Q in entry = 7 In of MODEL 17 1 HA PRO 15 HA PRO 15 11.501 8.115 -7.656 2 HB2 PRO 15 HB2 PRO 15 13.925 9.580 -7.357 3 HB3 PRO 15 HB3 PRO 15 12.907 9.455 -8.802 4 HG2 PRO 15 HG2 PRO 15 13.041 11.642 -6.763 5 HG3 PRO 15 HG3 PRO 15 12.572 11.710 -8.494 6 HD2 PRO 15 HD2 PRO 15 10.747 11.893 -6.495 7 HD3 PRO 15 HD3 PRO 15 10.375 11.095 -8.054 No H/Q in entry = 7 In of MODEL 17 1 H ALA 16 H ALA 16 12.611 6.420 -6.903 2 HA ALA 16 HA ALA 16 13.165 6.371 -4.056 3 HB1 ALA 16 HB1 ALA 16 11.797 4.609 -5.071 4 HB2 ALA 16 HB2 ALA 16 13.168 4.141 -6.075 5 HB3 ALA 16 HB3 ALA 16 13.259 3.962 -4.325 No H/Q in entry = 5 In of MODEL 17 1 H GLU 17 H GLU 17 15.163 6.522 -3.256 2 HA GLU 17 HA GLU 17 17.417 5.920 -5.032 3 HB2 GLU 17 HB2 GLU 17 17.127 8.302 -4.191 4 HB3 GLU 17 HB3 GLU 17 17.498 7.683 -2.583 5 HG2 GLU 17 HG2 GLU 17 19.487 8.609 -3.551 6 HG3 GLU 17 HG3 GLU 17 19.655 6.856 -3.448 No H/Q in entry = 6 In of MODEL 17 1 H ASN 18 H ASN 18 18.668 4.276 -4.495 2 HA ASN 18 HA ASN 18 18.137 2.747 -2.113 3 HB2 ASN 18 HB2 ASN 18 18.587 1.289 -3.814 4 HB3 ASN 18 HB3 ASN 18 19.705 2.389 -4.619 5 HD21 ASN 18 HD21 ASN 18 21.321 0.956 -4.955 6 HD22 ASN 18 HD22 ASN 18 22.246 0.227 -3.681 No H/Q in entry = 6 In of MODEL 17 1 H GLY 19 H GLY 19 19.176 2.803 -0.267 2 HA2 GLY 19 HA2 GLY 19 21.855 3.910 -0.018 3 HA3 GLY 19 HA3 GLY 19 20.863 3.229 1.282 No H/Q in entry = 3 In of MODEL 17 1 H LYS 20 H LYS 20 18.580 4.880 0.327 2 HA LYS 20 HA LYS 20 19.329 7.414 1.585 3 HB2 LYS 20 HB2 LYS 20 19.501 7.426 -0.989 4 HB3 LYS 20 HB3 LYS 20 17.752 7.306 -0.976 5 HG2 LYS 20 HG2 LYS 20 18.302 9.579 -1.267 6 HG3 LYS 20 HG3 LYS 20 17.687 9.400 0.379 7 HD2 LYS 20 HD2 LYS 20 19.999 9.349 1.222 8 HD3 LYS 20 HD3 LYS 20 20.593 9.556 -0.425 9 HE2 LYS 20 HE2 LYS 20 18.880 11.513 1.109 10 HE3 LYS 20 HE3 LYS 20 20.606 11.675 0.780 11 HZ1 LYS 20 HZ1 LYS 20 20.084 11.703 -1.599 12 HZ2 LYS 20 HZ2 LYS 20 18.426 11.636 -1.241 13 HZ3 LYS 20 HZ3 LYS 20 19.344 12.983 -0.773 No H/Q in entry = 13 In of MODEL 17 1 H SER 21 H SER 21 17.609 8.443 2.584 2 HA SER 21 HA SER 21 15.446 6.784 3.382 3 HB2 SER 21 HB2 SER 21 15.950 9.724 3.789 4 HB3 SER 21 HB3 SER 21 14.728 8.783 4.636 5 HG SER 21 HG SER 21 16.895 7.444 5.016 No H/Q in entry = 5 In of MODEL 17 1 H ASN 22 H ASN 22 13.417 6.714 2.670 2 HA ASN 22 HA ASN 22 12.425 8.722 0.796 3 HB2 ASN 22 HB2 ASN 22 13.319 6.082 -0.027 4 HB3 ASN 22 HB3 ASN 22 11.585 6.232 -0.298 5 HD21 ASN 22 HD21 ASN 22 10.838 7.774 -1.769 6 HD22 ASN 22 HD22 ASN 22 11.885 8.506 -2.935 No H/Q in entry = 6 In of MODEL 17 1 H PHE 23 H PHE 23 10.019 8.124 0.273 2 HA PHE 23 HA PHE 23 8.810 7.027 2.726 3 HB2 PHE 23 HB2 PHE 23 7.908 9.399 1.073 4 HB3 PHE 23 HB3 PHE 23 6.932 8.658 2.331 5 HD1 PHE 23 HD1 PHE 23 6.834 9.898 4.220 6 HD2 PHE 23 HD2 PHE 23 10.488 9.817 2.059 7 HE1 PHE 23 HE1 PHE 23 7.855 11.368 5.908 8 HE2 PHE 23 HE2 PHE 23 11.524 11.272 3.748 9 HZ PHE 23 HZ PHE 23 10.206 12.037 5.681 No H/Q in entry = 9 In of MODEL 17 1 H LEU 24 H LEU 24 7.337 5.446 2.442 2 HA LEU 24 HA LEU 24 6.742 4.596 -0.303 3 HB2 LEU 24 HB2 LEU 24 7.365 3.254 2.037 4 HB3 LEU 24 HB3 LEU 24 5.647 2.982 1.867 5 HG LEU 24 HG LEU 24 7.823 2.196 -0.096 6 HD11 LEU 24 HD11 LEU 24 7.635 0.788 1.911 7 HD12 LEU 24 HD12 LEU 24 5.922 0.544 1.575 8 HD13 LEU 24 HD13 LEU 24 7.136 -0.079 0.457 9 HD21 LEU 24 HD21 LEU 24 4.824 1.934 -0.344 10 HD22 LEU 24 HD22 LEU 24 5.923 2.800 -1.421 11 HD23 LEU 24 HD23 LEU 24 5.988 1.040 -1.327 No H/Q in entry = 11 In of MODEL 17 1 H ASN 25 H ASN 25 4.619 4.161 -0.948 2 HA ASN 25 HA ASN 25 2.453 5.077 0.791 3 HB2 ASN 25 HB2 ASN 25 3.271 6.398 -1.737 4 HB3 ASN 25 HB3 ASN 25 1.551 6.077 -1.592 5 HD21 ASN 25 HD21 ASN 25 3.599 6.812 1.163 6 HD22 ASN 25 HD22 ASN 25 2.922 8.378 1.473 No H/Q in entry = 6 In of MODEL 17 1 H CYS 26 H CYS 26 0.795 3.684 0.751 2 HA CYS 26 HA CYS 26 0.477 1.944 -1.596 3 HB2 CYS 26 HB2 CYS 26 1.415 0.891 0.586 4 HB3 CYS 26 HB3 CYS 26 -0.238 1.062 1.184 No H/Q in entry = 4 In of MODEL 17 1 H TYR 27 H TYR 27 -1.437 2.214 -2.527 2 HA TYR 27 HA TYR 27 -3.524 3.684 -1.032 3 HB2 TYR 27 HB2 TYR 27 -2.369 4.067 -3.749 4 HB3 TYR 27 HB3 TYR 27 -4.104 4.256 -3.611 5 HD1 TYR 27 HD1 TYR 27 -0.869 5.796 -3.050 6 HD2 TYR 27 HD2 TYR 27 -5.021 6.083 -2.124 7 HE1 TYR 27 HE1 TYR 27 -0.583 8.178 -2.505 8 HE2 TYR 27 HE2 TYR 27 -4.738 8.458 -1.577 9 HH TYR 27 HH TYR 27 -3.227 10.080 -1.138 No H/Q in entry = 9 In of MODEL 17 1 H VAL 28 H VAL 28 -4.913 1.993 -0.525 2 HA VAL 28 HA VAL 28 -5.787 0.345 -2.806 3 HB VAL 28 HB VAL 28 -6.476 -0.334 0.039 4 HG11 VAL 28 HG11 VAL 28 -6.130 -1.945 -2.483 5 HG12 VAL 28 HG12 VAL 28 -6.537 -2.619 -0.904 6 HG13 VAL 28 HG13 VAL 28 -7.657 -1.514 -1.708 7 HG21 VAL 28 HG21 VAL 28 -3.913 -1.050 -1.382 8 HG22 VAL 28 HG22 VAL 28 -4.077 -0.140 0.123 9 HG23 VAL 28 HG23 VAL 28 -4.505 -1.855 0.076 No H/Q in entry = 9 In of MODEL 17 1 H SER 29 H SER 29 -7.611 1.045 -3.707 2 HA SER 29 HA SER 29 -9.834 1.881 -2.038 3 HB2 SER 29 HB2 SER 29 -8.441 3.943 -2.443 4 HB3 SER 29 HB3 SER 29 -8.780 3.761 -4.163 5 HG SER 29 HG SER 29 -10.521 4.435 -2.052 No H/Q in entry = 5 In of MODEL 17 1 H GLY 30 H GLY 30 -11.651 2.732 -3.692 2 HA2 GLY 30 HA2 GLY 30 -11.704 1.131 -6.127 3 HA3 GLY 30 HA3 GLY 30 -12.895 2.330 -5.639 No H/Q in entry = 3 In of MODEL 17 1 H PHE 31 H PHE 31 -12.970 1.079 -2.918 2 HA PHE 31 HA PHE 31 -14.600 -1.276 -3.599 3 HB2 PHE 31 HB2 PHE 31 -13.738 -2.360 -1.552 4 HB3 PHE 31 HB3 PHE 31 -12.421 -1.958 -2.676 5 HD1 PHE 31 HD1 PHE 31 -10.866 -0.169 -2.181 6 HD2 PHE 31 HD2 PHE 31 -13.966 -1.179 0.547 7 HE1 PHE 31 HE1 PHE 31 -9.748 1.144 -0.431 8 HE2 PHE 31 HE2 PHE 31 -12.834 0.109 2.307 9 HZ PHE 31 HZ PHE 31 -10.740 1.295 1.813 No H/Q in entry = 9 In of MODEL 17 1 H HIS 32 H HIS 32 -15.703 -2.007 -1.391 2 HA HIS 32 HA HIS 32 -16.671 0.261 0.184 3 HB2 HIS 32 HB2 HIS 32 -18.645 -1.772 -0.975 4 HB3 HIS 32 HB3 HIS 32 -19.010 -0.466 0.134 5 HD2 HIS 32 HD2 HIS 32 -18.280 -1.017 -3.643 6 HE1 HIS 32 HE1 HIS 32 -19.677 2.926 -3.028 7 HE2 HIS 32 HE2 HIS 32 -19.368 1.074 -4.731 No H/Q in entry = 7 In of MODEL 17 1 HA PRO 33 HA PRO 33 -18.876 -0.127 1.902 2 HB2 PRO 33 HB2 PRO 33 -18.315 0.450 4.532 3 HB3 PRO 33 HB3 PRO 33 -19.471 -0.772 3.997 4 HG2 PRO 33 HG2 PRO 33 -16.651 -1.099 4.918 5 HG3 PRO 33 HG3 PRO 33 -18.064 -2.121 5.239 6 HD2 PRO 33 HD2 PRO 33 -16.187 -2.791 3.429 7 HD3 PRO 33 HD3 PRO 33 -17.900 -3.205 3.203 No H/Q in entry = 7 In of MODEL 17 1 H SER 34 H SER 34 -16.066 0.598 4.075 2 HA SER 34 HA SER 34 -15.042 2.533 2.203 3 HB2 SER 34 HB2 SER 34 -16.031 3.287 4.974 4 HB3 SER 34 HB3 SER 34 -15.092 4.337 3.914 5 HG SER 34 HG SER 34 -17.220 3.361 2.589 No H/Q in entry = 5 In of MODEL 17 1 H ASP 35 H ASP 35 -14.503 -0.055 3.790 2 HA ASP 35 HA ASP 35 -12.057 0.780 5.183 3 HB2 ASP 35 HB2 ASP 35 -14.189 -1.096 6.207 4 HB3 ASP 35 HB3 ASP 35 -12.581 -0.977 6.911 No H/Q in entry = 4 In of MODEL 17 1 H ILE 36 H ILE 36 -10.323 -0.382 4.660 2 HA ILE 36 HA ILE 36 -10.583 -3.236 4.091 3 HB ILE 36 HB ILE 36 -10.433 -1.950 1.863 4 HG12 ILE 36 HG12 ILE 36 -8.615 -4.159 2.745 5 HG13 ILE 36 HG13 ILE 36 -10.010 -4.231 1.679 6 HG21 ILE 36 HG21 ILE 36 -7.610 -1.565 2.847 7 HG22 ILE 36 HG22 ILE 36 -8.166 -1.247 1.201 8 HG23 ILE 36 HG23 ILE 36 -8.784 -0.284 2.542 9 HD11 ILE 36 HD11 ILE 36 -7.355 -3.005 0.966 10 HD12 ILE 36 HD12 ILE 36 -7.876 -4.630 0.522 11 HD13 ILE 36 HD13 ILE 36 -8.735 -3.225 -0.111 No H/Q in entry = 11 In of MODEL 17 1 H GLU 37 H GLU 37 -8.531 -4.383 4.517 2 HA GLU 37 HA GLU 37 -6.754 -2.809 6.233 3 HB2 GLU 37 HB2 GLU 37 -8.228 -4.911 6.998 4 HB3 GLU 37 HB3 GLU 37 -6.884 -5.798 6.301 5 HG2 GLU 37 HG2 GLU 37 -6.708 -3.778 8.516 6 HG3 GLU 37 HG3 GLU 37 -6.643 -5.530 8.694 No H/Q in entry = 6 In of MODEL 17 1 H VAL 38 H VAL 38 -4.629 -2.767 5.680 2 HA VAL 38 HA VAL 38 -3.628 -4.605 3.683 3 HB VAL 38 HB VAL 38 -3.868 -3.271 1.926 4 HG11 VAL 38 HG11 VAL 38 -4.562 -1.056 3.827 5 HG12 VAL 38 HG12 VAL 38 -4.694 -0.951 2.071 6 HG13 VAL 38 HG13 VAL 38 -5.671 -2.119 2.961 7 HG21 VAL 38 HG21 VAL 38 -1.949 -1.425 3.350 8 HG22 VAL 38 HG22 VAL 38 -1.536 -2.721 2.230 9 HG23 VAL 38 HG23 VAL 38 -2.389 -1.288 1.642 No H/Q in entry = 9 In of MODEL 17 1 H ASP 39 H ASP 39 -1.463 -4.887 3.722 2 HA ASP 39 HA ASP 39 0.019 -3.463 5.825 3 HB2 ASP 39 HB2 ASP 39 0.127 -5.285 7.133 4 HB3 ASP 39 HB3 ASP 39 -0.981 -6.090 6.036 No H/Q in entry = 4 In of MODEL 17 1 H LEU 40 H LEU 40 2.251 -3.331 5.515 2 HA LEU 40 HA LEU 40 3.039 -3.762 2.727 3 HB2 LEU 40 HB2 LEU 40 4.583 -2.173 4.762 4 HB3 LEU 40 HB3 LEU 40 4.705 -2.109 3.015 5 HG LEU 40 HG LEU 40 2.386 -1.101 4.660 6 HD11 LEU 40 HD11 LEU 40 4.415 0.270 4.840 7 HD12 LEU 40 HD12 LEU 40 4.467 0.403 3.081 8 HD13 LEU 40 HD13 LEU 40 3.122 1.104 3.981 9 HD21 LEU 40 HD21 LEU 40 2.855 -1.076 1.690 10 HD22 LEU 40 HD22 LEU 40 1.544 -1.875 2.562 11 HD23 LEU 40 HD23 LEU 40 1.632 -0.109 2.515 No H/Q in entry = 11 In of MODEL 17 1 H LEU 41 H LEU 41 4.787 -4.950 2.166 2 HA LEU 41 HA LEU 41 5.781 -6.726 4.288 3 HB2 LEU 41 HB2 LEU 41 5.795 -7.397 1.379 4 HB3 LEU 41 HB3 LEU 41 5.935 -8.468 2.739 5 HG LEU 41 HG LEU 41 3.405 -7.020 1.984 6 HD11 LEU 41 HD11 LEU 41 4.335 -8.739 0.356 7 HD12 LEU 41 HD12 LEU 41 4.042 -9.935 1.613 8 HD13 LEU 41 HD13 LEU 41 2.699 -9.009 0.937 9 HD21 LEU 41 HD21 LEU 41 3.956 -9.257 3.938 10 HD22 LEU 41 HD22 LEU 41 3.553 -7.591 4.359 11 HD23 LEU 41 HD23 LEU 41 2.366 -8.606 3.538 No H/Q in entry = 11 In of MODEL 17 1 H LYS 42 H LYS 42 7.658 -7.973 3.413 2 HA LYS 42 HA LYS 42 9.666 -6.489 1.989 3 HB2 LYS 42 HB2 LYS 42 9.816 -6.900 4.927 4 HB3 LYS 42 HB3 LYS 42 11.300 -7.046 3.990 5 HG2 LYS 42 HG2 LYS 42 10.958 -4.816 3.081 6 HG3 LYS 42 HG3 LYS 42 9.466 -4.652 4.012 7 HD2 LYS 42 HD2 LYS 42 12.269 -5.024 5.112 8 HD3 LYS 42 HD3 LYS 42 11.334 -3.528 5.134 9 HE2 LYS 42 HE2 LYS 42 9.793 -4.399 6.696 10 HE3 LYS 42 HE3 LYS 42 10.369 -6.049 6.460 11 HZ1 LYS 42 HZ1 LYS 42 12.172 -3.961 7.512 12 HZ2 LYS 42 HZ2 LYS 42 11.105 -4.772 8.544 13 HZ3 LYS 42 HZ3 LYS 42 12.277 -5.646 7.680 No H/Q in entry = 13 In of MODEL 17 1 H ASN 43 H ASN 43 9.936 -8.032 0.547 2 HA ASN 43 HA ASN 43 10.444 -9.980 -0.457 3 HB2 ASN 43 HB2 ASN 43 11.849 -10.446 2.159 4 HB3 ASN 43 HB3 ASN 43 11.869 -11.655 0.879 5 HD21 ASN 43 HD21 ASN 43 13.169 -8.722 2.047 6 HD22 ASN 43 HD22 ASN 43 14.257 -8.424 0.729 No H/Q in entry = 6 In of MODEL 17 1 H GLY 44 H GLY 44 8.540 -9.989 2.335 2 HA2 GLY 44 HA2 GLY 44 7.669 -12.735 2.070 3 HA3 GLY 44 HA3 GLY 44 6.531 -11.530 1.471 No H/Q in entry = 3 In of MODEL 17 1 H GLU 45 H GLU 45 8.167 -10.085 3.935 2 HA GLU 45 HA GLU 45 6.495 -11.264 6.046 3 HB2 GLU 45 HB2 GLU 45 9.127 -9.828 6.225 4 HB3 GLU 45 HB3 GLU 45 8.320 -10.688 7.534 5 HG2 GLU 45 HG2 GLU 45 9.197 -12.003 4.990 6 HG3 GLU 45 HG3 GLU 45 10.241 -11.831 6.378 No H/Q in entry = 6 In of MODEL 17 1 H ARG 46 H ARG 46 5.426 -9.930 7.469 2 HA ARG 46 HA ARG 46 4.565 -7.438 6.514 3 HB2 ARG 46 HB2 ARG 46 3.170 -8.857 7.906 4 HB3 ARG 46 HB3 ARG 46 4.317 -8.708 9.235 5 HG2 ARG 46 HG2 ARG 46 3.842 -6.343 9.438 6 HG3 ARG 46 HG3 ARG 46 2.782 -6.404 8.035 7 HD2 ARG 46 HD2 ARG 46 1.104 -7.542 9.192 8 HD3 ARG 46 HD3 ARG 46 2.222 -8.107 10.442 9 HE ARG 46 HE ARG 46 2.203 -5.939 11.403 10 HH11 ARG 46 HH11 ARG 46 -0.075 -6.331 8.773 11 HH12 ARG 46 HH12 ARG 46 -0.985 -4.906 9.173 12 HH21 ARG 46 HH21 ARG 46 1.003 -4.065 11.938 13 HH22 ARG 46 HH22 ARG 46 -0.362 -3.615 10.964 No H/Q in entry = 13 In of MODEL 17 1 H ILE 47 H ILE 47 5.127 -5.405 6.956 2 HA ILE 47 HA ILE 47 7.433 -4.858 8.659 3 HB ILE 47 HB ILE 47 5.805 -2.999 6.913 4 HG12 ILE 47 HG12 ILE 47 8.500 -4.221 6.374 5 HG13 ILE 47 HG13 ILE 47 6.996 -4.821 5.688 6 HG21 ILE 47 HG21 ILE 47 6.977 -1.848 8.727 7 HG22 ILE 47 HG22 ILE 47 8.491 -2.608 8.236 8 HG23 ILE 47 HG23 ILE 47 7.693 -1.457 7.163 9 HD11 ILE 47 HD11 ILE 47 8.117 -2.063 5.261 10 HD12 ILE 47 HD12 ILE 47 8.238 -3.409 4.128 11 HD13 ILE 47 HD13 ILE 47 6.659 -2.731 4.525 No H/Q in entry = 11 In of MODEL 17 1 H GLU 48 H GLU 48 7.280 -3.660 10.558 2 HA GLU 48 HA GLU 48 4.604 -3.655 11.672 3 HB2 GLU 48 HB2 GLU 48 5.964 -3.164 13.823 4 HB3 GLU 48 HB3 GLU 48 6.007 -4.775 13.125 5 HG2 GLU 48 HG2 GLU 48 8.113 -2.692 12.673 6 HG3 GLU 48 HG3 GLU 48 8.188 -3.887 13.952 No H/Q in entry = 6 In of MODEL 17 1 H LYS 49 H LYS 49 7.304 -1.349 11.224 2 HA LYS 49 HA LYS 49 6.218 0.863 12.435 3 HB2 LYS 49 HB2 LYS 49 7.921 0.682 9.961 4 HB3 LYS 49 HB3 LYS 49 7.627 2.163 10.864 5 HG2 LYS 49 HG2 LYS 49 8.567 -0.074 12.478 6 HG3 LYS 49 HG3 LYS 49 9.709 0.496 11.269 7 HD2 LYS 49 HD2 LYS 49 9.363 2.792 12.140 8 HD3 LYS 49 HD3 LYS 49 8.362 2.104 13.418 9 HE2 LYS 49 HE2 LYS 49 10.595 2.479 14.260 10 HE3 LYS 49 HE3 LYS 49 10.290 0.745 14.148 11 HZ1 LYS 49 HZ1 LYS 49 11.749 2.324 12.095 12 HZ2 LYS 49 HZ2 LYS 49 12.502 1.426 13.321 13 HZ3 LYS 49 HZ3 LYS 49 11.570 0.637 12.141 No H/Q in entry = 13 In of MODEL 17 1 H VAL 50 H VAL 50 4.980 -0.695 9.688 2 HA VAL 50 HA VAL 50 3.932 1.452 8.231 3 HB VAL 50 HB VAL 50 2.698 -1.276 8.579 4 HG11 VAL 50 HG11 VAL 50 1.198 0.519 7.699 5 HG12 VAL 50 HG12 VAL 50 2.334 0.739 6.360 6 HG13 VAL 50 HG13 VAL 50 1.489 -0.801 6.553 7 HG21 VAL 50 HG21 VAL 50 4.660 -0.240 6.536 8 HG22 VAL 50 HG22 VAL 50 4.980 -1.445 7.783 9 HG23 VAL 50 HG23 VAL 50 3.860 -1.808 6.472 No H/Q in entry = 9 In of MODEL 17 1 H GLU 51 H GLU 51 2.514 2.909 8.775 2 HA GLU 51 HA GLU 51 0.259 2.074 10.459 3 HB2 GLU 51 HB2 GLU 51 1.498 4.835 10.398 4 HB3 GLU 51 HB3 GLU 51 0.122 4.324 11.374 5 HG2 GLU 51 HG2 GLU 51 2.628 2.818 11.697 6 HG3 GLU 51 HG3 GLU 51 2.575 4.460 12.336 No H/Q in entry = 6 In of MODEL 17 1 H HIS 52 H HIS 52 -1.617 3.375 10.105 2 HA HIS 52 HA HIS 52 -1.869 4.279 7.312 3 HB2 HIS 52 HB2 HIS 52 -4.297 3.712 7.456 4 HB3 HIS 52 HB3 HIS 52 -3.200 2.336 7.500 5 HD2 HIS 52 HD2 HIS 52 -2.884 1.280 10.242 6 HE1 HIS 52 HE1 HIS 52 -6.711 2.723 11.323 7 HE2 HIS 52 HE2 HIS 52 -4.902 1.029 11.852 No H/Q in entry = 7 In of MODEL 17 1 H SER 53 H SER 53 -2.562 6.271 6.932 2 HA SER 53 HA SER 53 -3.247 7.862 9.309 3 HB2 SER 53 HB2 SER 53 -1.102 8.368 8.023 4 HB3 SER 53 HB3 SER 53 -2.139 8.965 6.730 5 HG SER 53 HG SER 53 -2.549 9.897 9.349 No H/Q in entry = 5 In of MODEL 17 1 H ASP 54 H ASP 54 -4.003 10.148 7.849 2 HA ASP 54 HA ASP 54 -6.639 10.263 7.994 3 HB2 ASP 54 HB2 ASP 54 -5.278 12.174 7.410 4 HB3 ASP 54 HB3 ASP 54 -4.973 11.511 5.807 No H/Q in entry = 4 In of MODEL 17 1 H LEU 55 H LEU 55 -8.286 9.242 7.295 2 HA LEU 55 HA LEU 55 -8.235 7.378 5.147 3 HB2 LEU 55 HB2 LEU 55 -9.682 7.450 7.328 4 HB3 LEU 55 HB3 LEU 55 -10.771 8.419 6.366 5 HG LEU 55 HG LEU 55 -11.369 5.992 6.546 6 HD11 LEU 55 HD11 LEU 55 -12.266 7.358 4.745 7 HD12 LEU 55 HD12 LEU 55 -10.849 6.996 3.758 8 HD13 LEU 55 HD13 LEU 55 -11.965 5.705 4.206 9 HD21 LEU 55 HD21 LEU 55 -8.936 5.640 4.812 10 HD22 LEU 55 HD22 LEU 55 -9.153 5.035 6.456 11 HD23 LEU 55 HD23 LEU 55 -10.148 4.400 5.144 No H/Q in entry = 11 In of MODEL 17 1 H SER 56 H SER 56 -11.028 9.441 5.242 2 HA SER 56 HA SER 56 -10.549 11.098 3.039 3 HB2 SER 56 HB2 SER 56 -11.654 8.368 2.378 4 HB3 SER 56 HB3 SER 56 -12.035 9.773 1.387 5 HG SER 56 HG SER 56 -9.367 9.108 2.018 No H/Q in entry = 5 In of MODEL 17 1 H PHE 57 H PHE 57 -12.857 11.399 1.847 2 HA PHE 57 HA PHE 57 -14.957 11.349 3.908 3 HB2 PHE 57 HB2 PHE 57 -13.950 13.671 3.620 4 HB3 PHE 57 HB3 PHE 57 -14.564 13.655 1.968 5 HD1 PHE 57 HD1 PHE 57 -16.930 13.852 1.522 6 HD2 PHE 57 HD2 PHE 57 -15.445 13.873 5.506 7 HE1 PHE 57 HE1 PHE 57 -19.097 14.700 2.312 8 HE2 PHE 57 HE2 PHE 57 -17.610 14.726 6.311 9 HZ PHE 57 HZ PHE 57 -19.439 15.140 4.714 No H/Q in entry = 9 In of MODEL 17 1 H SER 58 H SER 58 -16.934 10.759 3.182 2 HA SER 58 HA SER 58 -17.199 9.501 0.637 3 HB2 SER 58 HB2 SER 58 -18.366 8.771 2.748 4 HB3 SER 58 HB3 SER 58 -19.378 10.209 2.630 5 HG SER 58 HG SER 58 -20.068 8.031 1.655 No H/Q in entry = 5 In of MODEL 17 1 H LYS 59 H LYS 59 -19.859 10.259 -0.087 2 HA LYS 59 HA LYS 59 -21.248 11.937 -0.744 3 HB2 LYS 59 HB2 LYS 59 -20.716 13.506 0.881 4 HB3 LYS 59 HB3 LYS 59 -19.055 13.663 0.338 5 HG2 LYS 59 HG2 LYS 59 -20.246 15.673 -0.165 6 HG3 LYS 59 HG3 LYS 59 -19.857 14.844 -1.672 7 HD2 LYS 59 HD2 LYS 59 -22.172 13.894 -1.653 8 HD3 LYS 59 HD3 LYS 59 -22.524 14.927 -0.265 9 HE2 LYS 59 HE2 LYS 59 -23.271 15.892 -2.421 10 HE3 LYS 59 HE3 LYS 59 -22.111 16.911 -1.576 11 HZ1 LYS 59 HZ1 LYS 59 -20.360 15.989 -3.027 12 HZ2 LYS 59 HZ2 LYS 59 -21.540 15.114 -3.877 13 HZ3 LYS 59 HZ3 LYS 59 -21.561 16.805 -3.899 No H/Q in entry = 13 In of MODEL 17 1 H ASP 60 H ASP 60 -18.019 11.545 -2.018 2 HA ASP 60 HA ASP 60 -18.991 12.546 -4.545 3 HB2 ASP 60 HB2 ASP 60 -16.885 13.967 -3.014 4 HB3 ASP 60 HB3 ASP 60 -16.697 13.847 -4.763 No H/Q in entry = 4 In of MODEL 17 1 H TRP 61 H TRP 61 -15.831 11.635 -3.132 2 HA TRP 61 HA TRP 61 -15.363 10.211 -5.651 3 HB2 TRP 61 HB2 TRP 61 -13.315 11.290 -3.707 4 HB3 TRP 61 HB3 TRP 61 -12.975 10.547 -5.265 5 HD1 TRP 61 HD1 TRP 61 -13.509 13.845 -3.708 6 HE1 TRP 61 HE1 TRP 61 -13.802 15.668 -5.501 7 HE3 TRP 61 HE3 TRP 61 -14.193 10.853 -7.799 8 HZ2 TRP 61 HZ2 TRP 61 -14.265 15.816 -8.280 9 HZ3 TRP 61 HZ3 TRP 61 -14.557 11.900 -9.989 10 HH2 TRP 61 HH2 TRP 61 -14.593 14.365 -10.227 No H/Q in entry = 10 In of MODEL 17 1 H SER 62 H SER 62 -13.373 8.583 -5.217 2 HA SER 62 HA SER 62 -14.498 6.462 -3.691 3 HB2 SER 62 HB2 SER 62 -11.762 6.752 -4.982 4 HB3 SER 62 HB3 SER 62 -12.403 5.238 -4.330 5 HG SER 62 HG SER 62 -14.002 6.595 -6.173 No H/Q in entry = 5 In of MODEL 17 1 H PHE 63 H PHE 63 -14.026 5.799 -1.672 2 HA PHE 63 HA PHE 63 -12.659 7.549 0.109 3 HB2 PHE 63 HB2 PHE 63 -13.184 4.723 0.899 4 HB3 PHE 63 HB3 PHE 63 -13.486 6.209 1.792 5 HD1 PHE 63 HD1 PHE 63 -15.530 7.558 1.278 6 HD2 PHE 63 HD2 PHE 63 -14.853 3.715 -0.434 7 HE1 PHE 63 HE1 PHE 63 -17.924 7.391 0.700 8 HE2 PHE 63 HE2 PHE 63 -17.238 3.550 -1.017 9 HZ PHE 63 HZ PHE 63 -18.772 5.389 -0.450 No H/Q in entry = 9 In of MODEL 17 1 H TYR 64 H TYR 64 -10.508 7.737 0.163 2 HA TYR 64 HA TYR 64 -8.847 5.503 -0.692 3 HB2 TYR 64 HB2 TYR 64 -8.003 8.249 0.278 4 HB3 TYR 64 HB3 TYR 64 -6.982 7.079 -0.539 5 HD1 TYR 64 HD1 TYR 64 -7.293 6.658 -2.976 6 HD2 TYR 64 HD2 TYR 64 -9.428 9.711 -0.920 7 HE1 TYR 64 HE1 TYR 64 -7.806 7.741 -5.126 8 HE2 TYR 64 HE2 TYR 64 -9.955 10.795 -3.061 9 HH TYR 64 HH TYR 64 -9.018 10.890 -5.347 No H/Q in entry = 9 In of MODEL 17 1 H LEU 65 H LEU 65 -7.480 4.380 0.637 2 HA LEU 65 HA LEU 65 -7.186 5.324 3.400 3 HB2 LEU 65 HB2 LEU 65 -8.718 3.565 3.666 4 HB3 LEU 65 HB3 LEU 65 -7.932 2.570 2.457 5 HG LEU 65 HG LEU 65 -6.350 3.152 4.902 6 HD11 LEU 65 HD11 LEU 65 -8.675 2.794 5.719 7 HD12 LEU 65 HD12 LEU 65 -8.660 1.222 4.922 8 HD13 LEU 65 HD13 LEU 65 -7.533 1.557 6.237 9 HD21 LEU 65 HD21 LEU 65 -5.529 1.724 3.086 10 HD22 LEU 65 HD22 LEU 65 -5.729 0.822 4.589 11 HD23 LEU 65 HD23 LEU 65 -6.923 0.664 3.301 No H/Q in entry = 11 In of MODEL 17 1 H LEU 66 H LEU 66 -5.123 5.325 4.129 2 HA LEU 66 HA LEU 66 -3.189 4.515 2.095 3 HB2 LEU 66 HB2 LEU 66 -3.516 6.900 2.090 4 HB3 LEU 66 HB3 LEU 66 -3.240 6.992 3.799 5 HG LEU 66 HG LEU 66 -0.915 6.741 3.542 6 HD11 LEU 66 HD11 LEU 66 -1.380 5.681 0.804 7 HD12 LEU 66 HD12 LEU 66 0.196 6.113 1.468 8 HD13 LEU 66 HD13 LEU 66 -0.748 4.826 2.212 9 HD21 LEU 66 HD21 LEU 66 -1.852 8.276 1.148 10 HD22 LEU 66 HD22 LEU 66 -1.666 8.909 2.783 11 HD23 LEU 66 HD23 LEU 66 -0.249 8.385 1.874 No H/Q in entry = 11 In of MODEL 17 1 H TYR 67 H TYR 67 -1.730 3.153 2.714 2 HA TYR 67 HA TYR 67 -0.934 2.984 5.541 3 HB2 TYR 67 HB2 TYR 67 -1.534 0.878 3.540 4 HB3 TYR 67 HB3 TYR 67 -0.176 0.590 4.618 5 HD1 TYR 67 HD1 TYR 67 -0.557 0.396 7.060 6 HD2 TYR 67 HD2 TYR 67 -3.799 0.701 4.309 7 HE1 TYR 67 HE1 TYR 67 -2.077 -0.550 8.748 8 HE2 TYR 67 HE2 TYR 67 -5.310 -0.244 5.985 9 HH TYR 67 HH TYR 67 -4.805 -1.927 8.151 No H/Q in entry = 9 In of MODEL 17 1 H TYR 68 H TYR 68 1.024 3.727 5.860 2 HA TYR 68 HA TYR 68 3.027 3.307 3.756 3 HB2 TYR 68 HB2 TYR 68 3.796 5.626 3.808 4 HB3 TYR 68 HB3 TYR 68 2.126 5.511 3.250 5 HD1 TYR 68 HD1 TYR 68 0.999 5.259 6.221 6 HD2 TYR 68 HD2 TYR 68 3.682 7.926 4.258 7 HE1 TYR 68 HE1 TYR 68 0.294 7.093 7.705 8 HE2 TYR 68 HE2 TYR 68 3.011 9.723 5.784 9 HH TYR 68 HH TYR 68 1.122 10.341 7.177 No H/Q in entry = 9 In of MODEL 17 1 H THR 69 H THR 69 5.225 3.874 4.390 2 HA THR 69 HA THR 69 5.814 4.089 7.203 3 HB THR 69 HB THR 69 5.475 1.628 6.931 4 HG1 THR 69 HG1 THR 69 8.252 2.090 7.260 5 HG21 THR 69 HG21 THR 69 7.728 1.900 4.938 6 HG22 THR 69 HG22 THR 69 7.211 0.367 5.642 7 HG23 THR 69 HG23 THR 69 6.098 1.293 4.631 No H/Q in entry = 7 In of MODEL 17 1 H GLU 70 H GLU 70 7.770 5.042 7.472 2 HA GLU 70 HA GLU 70 9.226 5.985 5.219 3 HB2 GLU 70 HB2 GLU 70 10.281 5.993 8.040 4 HB3 GLU 70 HB3 GLU 70 10.425 7.240 6.808 5 HG2 GLU 70 HG2 GLU 70 8.104 7.774 7.021 6 HG3 GLU 70 HG3 GLU 70 7.886 6.480 8.187 No H/Q in entry = 6 In of MODEL 17 1 H PHE 71 H PHE 71 11.115 5.201 4.381 2 HA PHE 71 HA PHE 71 12.336 2.927 5.661 3 HB2 PHE 71 HB2 PHE 71 12.094 1.381 3.803 4 HB3 PHE 71 HB3 PHE 71 10.507 1.903 4.344 5 HD1 PHE 71 HD1 PHE 71 10.876 4.678 2.836 6 HD2 PHE 71 HD2 PHE 71 11.172 0.592 1.713 7 HE1 PHE 71 HE1 PHE 71 10.283 5.273 0.516 8 HE2 PHE 71 HE2 PHE 71 10.573 1.171 -0.600 9 HZ PHE 71 HZ PHE 71 10.147 3.525 -1.215 No H/Q in entry = 9 In of MODEL 17 1 H THR 72 H THR 72 14.373 2.281 4.657 2 HA THR 72 HA THR 72 15.483 4.295 2.827 3 HB THR 72 HB THR 72 17.000 2.721 4.922 4 HG1 THR 72 HG1 THR 72 15.479 4.443 5.656 5 HG21 THR 72 HG21 THR 72 18.369 3.365 2.981 6 HG22 THR 72 HG22 THR 72 17.857 5.042 3.175 7 HG23 THR 72 HG23 THR 72 18.838 4.270 4.420 No H/Q in entry = 7 In of MODEL 17 1 HA PRO 73 HA PRO 73 15.075 0.289 0.495 2 HB2 PRO 73 HB2 PRO 73 15.702 1.682 -1.887 3 HB3 PRO 73 HB3 PRO 73 14.076 1.271 -1.306 4 HG2 PRO 73 HG2 PRO 73 15.604 3.818 -1.062 5 HG3 PRO 73 HG3 PRO 73 13.860 3.577 -1.294 6 HD2 PRO 73 HD2 PRO 73 14.847 4.289 1.084 7 HD3 PRO 73 HD3 PRO 73 13.507 3.118 0.968 No H/Q in entry = 7 In of MODEL 17 1 H THR 74 H THR 74 16.544 -1.028 -0.489 2 HA THR 74 HA THR 74 19.254 -0.017 -0.935 3 HB THR 74 HB THR 74 20.291 -1.877 0.214 4 HG1 THR 74 HG1 THR 74 17.623 -2.784 0.399 5 HG21 THR 74 HG21 THR 74 19.719 0.043 1.629 6 HG22 THR 74 HG22 THR 74 18.155 -0.692 1.986 7 HG23 THR 74 HG23 THR 74 19.639 -1.469 2.537 No H/Q in entry = 7 In of MODEL 17 1 H GLU 75 H GLU 75 20.552 -1.728 -2.124 2 HA GLU 75 HA GLU 75 19.275 -2.676 -4.424 3 HB2 GLU 75 HB2 GLU 75 21.775 -2.218 -3.802 4 HB3 GLU 75 HB3 GLU 75 21.773 -3.904 -3.332 5 HG2 GLU 75 HG2 GLU 75 20.971 -2.979 -6.068 6 HG3 GLU 75 HG3 GLU 75 22.627 -3.346 -5.613 No H/Q in entry = 6 In of MODEL 17 1 H LYS 76 H LYS 76 20.045 -4.264 -1.389 2 HA LYS 76 HA LYS 76 19.485 -6.869 -2.385 3 HB2 LYS 76 HB2 LYS 76 20.275 -5.855 0.335 4 HB3 LYS 76 HB3 LYS 76 20.034 -7.557 -0.038 5 HG2 LYS 76 HG2 LYS 76 22.116 -5.706 -1.188 6 HG3 LYS 76 HG3 LYS 76 22.367 -7.164 -0.208 7 HD2 LYS 76 HD2 LYS 76 21.430 -8.530 -1.989 8 HD3 LYS 76 HD3 LYS 76 21.111 -7.076 -2.937 9 HE2 LYS 76 HE2 LYS 76 23.608 -6.633 -2.826 10 HE3 LYS 76 HE3 LYS 76 23.774 -8.275 -2.199 11 HZ1 LYS 76 HZ1 LYS 76 22.686 -9.092 -4.216 12 HZ2 LYS 76 HZ2 LYS 76 22.592 -7.505 -4.811 13 HZ3 LYS 76 HZ3 LYS 76 24.104 -8.231 -4.579 No H/Q in entry = 13 In of MODEL 17 1 H ASP 77 H ASP 77 17.658 -4.470 -0.571 2 HA ASP 77 HA ASP 77 15.907 -6.610 0.385 3 HB2 ASP 77 HB2 ASP 77 15.009 -5.053 1.979 4 HB3 ASP 77 HB3 ASP 77 16.757 -4.940 2.031 No H/Q in entry = 4 In of MODEL 17 1 H GLU 78 H GLU 78 13.512 -5.998 0.488 2 HA GLU 78 HA GLU 78 12.546 -4.715 -1.928 3 HB2 GLU 78 HB2 GLU 78 13.301 -6.960 -2.634 4 HB3 GLU 78 HB3 GLU 78 12.229 -7.697 -1.460 5 HG2 GLU 78 HG2 GLU 78 11.219 -7.863 -3.613 6 HG3 GLU 78 HG3 GLU 78 10.309 -6.643 -2.740 No H/Q in entry = 6 In of MODEL 17 1 H TYR 79 H TYR 79 10.400 -4.148 -1.731 2 HA TYR 79 HA TYR 79 9.074 -4.919 0.763 3 HB2 TYR 79 HB2 TYR 79 8.719 -2.224 -0.560 4 HB3 TYR 79 HB3 TYR 79 8.204 -2.718 1.043 5 HD1 TYR 79 HD1 TYR 79 11.154 -1.839 -0.996 6 HD2 TYR 79 HD2 TYR 79 9.655 -2.574 2.917 7 HE1 TYR 79 HE1 TYR 79 13.221 -0.929 -0.037 8 HE2 TYR 79 HE2 TYR 79 11.723 -1.656 3.883 9 HH TYR 79 HH TYR 79 14.439 -1.406 2.527 No H/Q in entry = 9 In of MODEL 17 1 H ALA 80 H ALA 80 6.746 -4.942 0.724 2 HA ALA 80 HA ALA 80 5.566 -4.993 -1.970 3 HB1 ALA 80 HB1 ALA 80 4.737 -7.154 -1.848 4 HB2 ALA 80 HB2 ALA 80 6.373 -7.311 -1.202 5 HB3 ALA 80 HB3 ALA 80 4.990 -7.252 -0.111 No H/Q in entry = 5 In of MODEL 17 1 H CYS 81 H CYS 81 3.174 -5.091 -1.941 2 HA CYS 81 HA CYS 81 2.059 -4.017 0.571 3 HB2 CYS 81 HB2 CYS 81 1.606 -3.347 -2.289 4 HB3 CYS 81 HB3 CYS 81 0.196 -3.328 -1.237 No H/Q in entry = 4 In of MODEL 17 1 H ARG 82 H ARG 82 0.478 -5.165 1.528 2 HA ARG 82 HA ARG 82 -0.778 -7.418 0.059 3 HB2 ARG 82 HB2 ARG 82 0.828 -7.954 1.990 4 HB3 ARG 82 HB3 ARG 82 -0.366 -7.203 3.033 5 HG2 ARG 82 HG2 ARG 82 -2.042 -8.879 2.237 6 HG3 ARG 82 HG3 ARG 82 -0.727 -9.702 1.394 7 HD2 ARG 82 HD2 ARG 82 0.091 -10.604 3.304 8 HD3 ARG 82 HD3 ARG 82 -0.142 -9.111 4.209 9 HE ARG 82 HE ARG 82 -2.208 -11.155 3.738 10 HH11 ARG 82 HH11 ARG 82 -0.801 -8.529 5.572 11 HH12 ARG 82 HH12 ARG 82 -1.872 -8.732 6.940 12 HH21 ARG 82 HH21 ARG 82 -3.587 -11.471 5.537 13 HH22 ARG 82 HH22 ARG 82 -3.448 -10.427 6.928 No H/Q in entry = 13 In of MODEL 17 1 H VAL 83 H VAL 83 -3.030 -7.459 0.116 2 HA VAL 83 HA VAL 83 -4.323 -5.744 2.121 3 HB VAL 83 HB VAL 83 -5.801 -4.674 0.696 4 HG11 VAL 83 HG11 VAL 83 -3.213 -4.897 -0.781 5 HG12 VAL 83 HG12 VAL 83 -4.456 -3.684 -1.091 6 HG13 VAL 83 HG13 VAL 83 -3.645 -3.734 0.473 7 HG21 VAL 83 HG21 VAL 83 -5.064 -6.632 -1.470 8 HG22 VAL 83 HG22 VAL 83 -6.579 -6.583 -0.567 9 HG23 VAL 83 HG23 VAL 83 -6.158 -5.260 -1.656 No H/Q in entry = 9 In of MODEL 17 1 H ASN 84 H ASN 84 -6.198 -6.408 2.912 2 HA ASN 84 HA ASN 84 -7.138 -9.074 2.076 3 HB2 ASN 84 HB2 ASN 84 -7.443 -7.804 4.818 4 HB3 ASN 84 HB3 ASN 84 -7.836 -9.451 4.380 5 HD21 ASN 84 HD21 ASN 84 -5.258 -7.213 5.067 6 HD22 ASN 84 HD22 ASN 84 -4.024 -8.408 5.286 No H/Q in entry = 6 In of MODEL 17 1 H HIS 85 H HIS 85 -9.147 -9.069 1.159 2 HA HIS 85 HA HIS 85 -11.211 -7.507 2.493 3 HB2 HIS 85 HB2 HIS 85 -10.205 -6.308 0.389 4 HB3 HIS 85 HB3 HIS 85 -11.115 -7.516 -0.509 5 HD2 HIS 85 HD2 HIS 85 -11.907 -4.686 2.139 6 HE1 HIS 85 HE1 HIS 85 -15.232 -5.317 -0.420 7 HE2 HIS 85 HE2 HIS 85 -14.345 -3.989 1.546 No H/Q in entry = 7 In of MODEL 17 1 H VAL 86 H VAL 86 -13.426 -8.311 1.755 2 HA VAL 86 HA VAL 86 -13.446 -11.142 1.855 3 HB VAL 86 HB VAL 86 -15.264 -9.675 2.739 4 HG11 VAL 86 HG11 VAL 86 -15.994 -9.386 -0.171 5 HG12 VAL 86 HG12 VAL 86 -17.002 -8.889 1.188 6 HG13 VAL 86 HG13 VAL 86 -15.449 -8.101 0.909 7 HG21 VAL 86 HG21 VAL 86 -16.124 -11.800 0.782 8 HG22 VAL 86 HG22 VAL 86 -15.635 -12.057 2.457 9 HG23 VAL 86 HG23 VAL 86 -17.110 -11.158 2.097 No H/Q in entry = 9 In of MODEL 17 1 H THR 87 H THR 87 -13.336 -8.883 -0.746 2 HA THR 87 HA THR 87 -14.564 -10.408 -2.765 3 HB THR 87 HB THR 87 -13.208 -8.875 -4.266 4 HG1 THR 87 HG1 THR 87 -12.689 -7.263 -2.050 5 HG21 THR 87 HG21 THR 87 -15.008 -7.751 -2.138 6 HG22 THR 87 HG22 THR 87 -14.485 -6.838 -3.553 7 HG23 THR 87 HG23 THR 87 -15.460 -8.298 -3.751 No H/Q in entry = 7 In of MODEL 17 1 H LEU 88 H LEU 88 -11.180 -9.856 -1.945 2 HA LEU 88 HA LEU 88 -10.181 -11.452 -4.065 3 HB2 LEU 88 HB2 LEU 88 -8.846 -10.441 -1.537 4 HB3 LEU 88 HB3 LEU 88 -7.997 -11.198 -2.873 5 HG LEU 88 HG LEU 88 -9.489 -8.573 -2.958 6 HD11 LEU 88 HD11 LEU 88 -7.312 -8.480 -1.802 7 HD12 LEU 88 HD12 LEU 88 -6.539 -9.168 -3.240 8 HD13 LEU 88 HD13 LEU 88 -7.306 -7.575 -3.331 9 HD21 LEU 88 HD21 LEU 88 -8.025 -10.058 -5.135 10 HD22 LEU 88 HD22 LEU 88 -9.758 -9.737 -5.058 11 HD23 LEU 88 HD23 LEU 88 -8.623 -8.402 -5.257 No H/Q in entry = 11 In of MODEL 17 1 H SER 89 H SER 89 -10.170 -13.608 -4.124 2 HA SER 89 HA SER 89 -11.160 -15.313 -2.183 3 HB2 SER 89 HB2 SER 89 -9.971 -17.118 -3.509 4 HB3 SER 89 HB3 SER 89 -11.007 -16.053 -4.460 5 HG SER 89 HG SER 89 -8.337 -16.483 -4.661 No H/Q in entry = 5 In of MODEL 17 1 H GLN 90 H GLN 90 -8.020 -13.993 -2.578 2 HA GLN 90 HA GLN 90 -7.242 -14.846 0.052 3 HB2 GLN 90 HB2 GLN 90 -4.937 -15.639 -0.938 4 HB3 GLN 90 HB3 GLN 90 -6.265 -16.790 -1.083 5 HG2 GLN 90 HG2 GLN 90 -5.349 -16.894 -3.159 6 HG3 GLN 90 HG3 GLN 90 -6.627 -15.713 -3.406 7 HE21 GLN 90 HE21 GLN 90 -5.654 -14.823 -5.193 8 HE22 GLN 90 HE22 GLN 90 -4.221 -13.858 -5.091 No H/Q in entry = 8 In of MODEL 17 1 HA PRO 91 HA PRO 91 -5.897 -10.610 0.211 2 HB2 PRO 91 HB2 PRO 91 -3.472 -11.944 1.402 3 HB3 PRO 91 HB3 PRO 91 -4.299 -10.462 1.918 4 HG2 PRO 91 HG2 PRO 91 -4.779 -12.712 3.203 5 HG3 PRO 91 HG3 PRO 91 -6.131 -11.635 2.771 6 HD2 PRO 91 HD2 PRO 91 -5.314 -14.257 1.558 7 HD3 PRO 91 HD3 PRO 91 -6.953 -13.555 1.744 No H/Q in entry = 7 In of MODEL 17 1 H LYS 92 H LYS 92 -4.362 -9.212 -0.744 2 HA LYS 92 HA LYS 92 -3.213 -10.532 -3.103 3 HB2 LYS 92 HB2 LYS 92 -5.164 -9.066 -3.550 4 HB3 LYS 92 HB3 LYS 92 -4.254 -7.711 -2.892 5 HG2 LYS 92 HG2 LYS 92 -4.091 -7.635 -5.267 6 HG3 LYS 92 HG3 LYS 92 -2.519 -8.123 -4.609 7 HD2 LYS 92 HD2 LYS 92 -3.051 -9.495 -6.518 8 HD3 LYS 92 HD3 LYS 92 -3.092 -10.464 -5.042 9 HE2 LYS 92 HE2 LYS 92 -5.493 -10.404 -5.004 10 HE3 LYS 92 HE3 LYS 92 -5.527 -9.281 -6.365 11 HZ1 LYS 92 HZ1 LYS 92 -4.301 -11.963 -6.589 12 HZ2 LYS 92 HZ2 LYS 92 -5.956 -11.714 -6.864 13 HZ3 LYS 92 HZ3 LYS 92 -4.805 -10.925 -7.831 No H/Q in entry = 13 In of MODEL 17 1 H ILE 93 H ILE 93 -1.097 -10.361 -3.351 2 HA ILE 93 HA ILE 93 0.290 -8.159 -1.996 3 HB ILE 93 HB ILE 93 1.412 -10.801 -2.919 4 HG12 ILE 93 HG12 ILE 93 1.963 -10.860 -0.352 5 HG13 ILE 93 HG13 ILE 93 0.644 -9.709 -0.242 6 HG21 ILE 93 HG21 ILE 93 3.021 -8.996 -3.218 7 HG22 ILE 93 HG22 ILE 93 2.807 -8.524 -1.530 8 HG23 ILE 93 HG23 ILE 93 3.517 -10.089 -1.925 9 HD11 ILE 93 HD11 ILE 93 0.461 -12.479 -1.393 10 HD12 ILE 93 HD12 ILE 93 -0.089 -11.982 0.207 11 HD13 ILE 93 HD13 ILE 93 -0.865 -11.330 -1.234 No H/Q in entry = 11 In of MODEL 17 1 H VAL 94 H VAL 94 1.149 -6.656 -3.198 2 HA VAL 94 HA VAL 94 2.115 -7.353 -5.882 3 HB VAL 94 HB VAL 94 0.837 -4.727 -5.071 4 HG11 VAL 94 HG11 VAL 94 2.130 -5.525 -7.679 5 HG12 VAL 94 HG12 VAL 94 1.233 -4.033 -7.395 6 HG13 VAL 94 HG13 VAL 94 2.743 -4.332 -6.534 7 HG21 VAL 94 HG21 VAL 94 -0.759 -6.522 -5.542 8 HG22 VAL 94 HG22 VAL 94 -0.820 -5.261 -6.776 9 HG23 VAL 94 HG23 VAL 94 0.004 -6.786 -7.111 No H/Q in entry = 9 In of MODEL 17 1 H LYS 95 H LYS 95 4.191 -6.898 -6.194 2 HA LYS 95 HA LYS 95 5.635 -5.949 -3.866 3 HB2 LYS 95 HB2 LYS 95 7.257 -7.332 -4.548 4 HB3 LYS 95 HB3 LYS 95 6.114 -7.914 -5.742 5 HG2 LYS 95 HG2 LYS 95 7.084 -6.656 -7.443 6 HG3 LYS 95 HG3 LYS 95 7.923 -5.598 -6.297 7 HD2 LYS 95 HD2 LYS 95 9.012 -7.823 -5.492 8 HD3 LYS 95 HD3 LYS 95 8.546 -8.401 -7.089 9 HE2 LYS 95 HE2 LYS 95 10.891 -7.310 -6.626 10 HE3 LYS 95 HE3 LYS 95 10.049 -7.058 -8.160 11 HZ1 LYS 95 HZ1 LYS 95 9.211 -4.945 -7.222 12 HZ2 LYS 95 HZ2 LYS 95 10.145 -5.202 -5.830 13 HZ3 LYS 95 HZ3 LYS 95 10.896 -4.990 -7.332 No H/Q in entry = 13 In of MODEL 17 1 H TRP 96 H TRP 96 7.005 -4.177 -3.838 2 HA TRP 96 HA TRP 96 6.048 -1.996 -5.430 3 HB2 TRP 96 HB2 TRP 96 6.577 -1.638 -3.072 4 HB3 TRP 96 HB3 TRP 96 8.245 -2.159 -3.325 5 HD1 TRP 96 HD1 TRP 96 5.887 0.662 -4.559 6 HE1 TRP 96 HE1 TRP 96 7.300 2.765 -4.912 7 HE3 TRP 96 HE3 TRP 96 10.481 -1.276 -3.461 8 HZ2 TRP 96 HZ2 TRP 96 10.014 3.523 -4.717 9 HZ3 TRP 96 HZ3 TRP 96 12.440 0.197 -3.561 10 HH2 TRP 96 HH2 TRP 96 12.206 2.564 -4.186 No H/Q in entry = 10 In of MODEL 17 1 H ASP 97 H ASP 97 6.906 -1.233 -7.252 2 HA ASP 97 HA ASP 97 9.658 -2.034 -7.923 3 HB2 ASP 97 HB2 ASP 97 9.048 -2.114 -10.267 4 HB3 ASP 97 HB3 ASP 97 7.963 -3.161 -9.359 No H/Q in entry = 4 In of MODEL 17 1 H ARG 98 H ARG 98 11.007 -0.540 -8.699 2 HA ARG 98 HA ARG 98 9.992 2.191 -8.983 3 HB2 ARG 98 HB2 ARG 98 12.203 2.945 -8.471 4 HB3 ARG 98 HB3 ARG 98 11.792 1.721 -7.297 5 HG2 ARG 98 HG2 ARG 98 13.823 0.913 -7.730 6 HG3 ARG 98 HG3 ARG 98 13.065 0.229 -9.168 7 HD2 ARG 98 HD2 ARG 98 15.147 1.394 -9.727 8 HD3 ARG 98 HD3 ARG 98 13.748 2.178 -10.469 9 HE ARG 98 HE ARG 98 14.831 3.217 -7.943 10 HH11 ARG 98 HH11 ARG 98 14.158 3.624 -11.358 11 HH12 ARG 98 HH12 ARG 98 14.490 5.335 -11.343 12 HH21 ARG 98 HH21 ARG 98 15.286 5.466 -7.924 13 HH22 ARG 98 HH22 ARG 98 15.131 6.377 -9.402 No H/Q in entry = 13 In of MODEL 17 1 H ASP 99 H ASP 99 11.697 -0.411 -10.513 2 HA ASP 99 HA ASP 99 11.294 0.829 -13.130 3 HB2 ASP 99 HB2 ASP 99 13.865 0.380 -11.843 4 HB3 ASP 99 HB3 ASP 99 13.750 -0.408 -13.411 No H/Q in entry = 4 In of MODEL 17 1 H MET 100 H MET 100 11.213 -1.768 -11.095 2 HA MET 100 HA MET 100 11.865 -3.901 -12.866 3 HB2 MET 100 HB2 MET 100 10.355 -3.968 -10.244 4 HB3 MET 100 HB3 MET 100 11.084 -5.347 -11.058 5 HG2 MET 100 HG2 MET 100 13.288 -4.448 -10.708 6 HG3 MET 100 HG3 MET 100 12.611 -2.970 -10.024 7 HE1 MET 100 HE1 MET 100 14.193 -3.238 -7.900 8 HE2 MET 100 HE2 MET 100 14.269 -4.700 -6.915 9 HE3 MET 100 HE3 MET 100 14.869 -4.721 -8.574 No H/Q in entry = 9 In of MODEL 18 1 HA ILE 2 HA ILE 2 -22.859 -6.978 -4.685 2 HB ILE 2 HB ILE 2 -23.357 -7.182 -2.157 3 HG12 ILE 2 HG12 ILE 2 -23.471 -9.695 -1.529 4 HG13 ILE 2 HG13 ILE 2 -22.232 -9.913 -2.758 5 HG21 ILE 2 HG21 ILE 2 -25.008 -7.490 -3.908 6 HG22 ILE 2 HG22 ILE 2 -24.507 -9.169 -4.103 7 HG23 ILE 2 HG23 ILE 2 -25.259 -8.645 -2.597 8 HD11 ILE 2 HD11 ILE 2 -22.008 -8.168 -0.317 9 HD12 ILE 2 HD12 ILE 2 -21.266 -9.753 -0.541 10 HD13 ILE 2 HD13 ILE 2 -20.763 -8.393 -1.545 No H/Q in entry = 10 In of MODEL 18 1 H GLN 3 H GLN 3 -20.146 -6.723 -5.100 2 HA GLN 3 HA GLN 3 -19.357 -4.764 -3.211 3 HB2 GLN 3 HB2 GLN 3 -18.974 -7.061 -2.008 4 HB3 GLN 3 HB3 GLN 3 -17.585 -7.200 -3.075 5 HG2 GLN 3 HG2 GLN 3 -16.694 -6.310 -1.117 6 HG3 GLN 3 HG3 GLN 3 -16.890 -4.909 -2.168 7 HE21 GLN 3 HE21 GLN 3 -19.853 -4.940 -1.697 8 HE22 GLN 3 HE22 GLN 3 -20.046 -4.256 -0.122 No H/Q in entry = 8 In of MODEL 18 1 H ARG 4 H ARG 4 -16.906 -4.233 -3.565 2 HA ARG 4 HA ARG 4 -16.260 -4.624 -6.413 3 HB2 ARG 4 HB2 ARG 4 -16.886 -2.383 -6.344 4 HB3 ARG 4 HB3 ARG 4 -16.201 -2.133 -4.750 5 HG2 ARG 4 HG2 ARG 4 -14.036 -1.857 -5.553 6 HG3 ARG 4 HG3 ARG 4 -14.378 -2.733 -7.056 7 HD2 ARG 4 HD2 ARG 4 -14.103 -0.267 -7.342 8 HD3 ARG 4 HD3 ARG 4 -15.649 -0.888 -7.919 9 HE ARG 4 HE ARG 4 -16.469 -0.094 -5.610 10 HH11 ARG 4 HH11 ARG 4 -13.968 1.480 -7.500 11 HH12 ARG 4 HH12 ARG 4 -14.314 3.064 -6.870 12 HH21 ARG 4 HH21 ARG 4 -16.941 2.007 -4.805 13 HH22 ARG 4 HH22 ARG 4 -16.005 3.369 -5.346 No H/Q in entry = 13 In of MODEL 18 1 H THR 5 H THR 5 -14.268 -5.259 -6.914 2 HA THR 5 HA THR 5 -12.577 -6.255 -4.858 3 HB THR 5 HB THR 5 -11.069 -6.943 -6.662 4 HG1 THR 5 HG1 THR 5 -11.782 -4.885 -7.915 5 HG21 THR 5 HG21 THR 5 -14.000 -7.452 -6.971 6 HG22 THR 5 HG22 THR 5 -12.859 -8.127 -8.131 7 HG23 THR 5 HG23 THR 5 -12.718 -8.539 -6.427 No H/Q in entry = 7 In of MODEL 18 1 HA PRO 6 HA PRO 6 -10.283 -2.410 -4.451 2 HB2 PRO 6 HB2 PRO 6 -8.697 -3.739 -2.422 3 HB3 PRO 6 HB3 PRO 6 -9.844 -2.409 -2.235 4 HG2 PRO 6 HG2 PRO 6 -10.255 -4.962 -1.295 5 HG3 PRO 6 HG3 PRO 6 -11.557 -3.802 -1.654 6 HD2 PRO 6 HD2 PRO 6 -10.597 -6.144 -3.248 7 HD3 PRO 6 HD3 PRO 6 -12.233 -5.450 -3.095 No H/Q in entry = 7 In of MODEL 18 1 H LYS 7 H LYS 7 -8.638 -1.900 -5.702 2 HA LYS 7 HA LYS 7 -6.945 -4.091 -6.668 3 HB2 LYS 7 HB2 LYS 7 -8.455 -2.589 -8.170 4 HB3 LYS 7 HB3 LYS 7 -7.211 -1.370 -7.943 5 HG2 LYS 7 HG2 LYS 7 -5.569 -2.774 -8.986 6 HG3 LYS 7 HG3 LYS 7 -6.722 -4.110 -9.085 7 HD2 LYS 7 HD2 LYS 7 -8.169 -2.677 -10.510 8 HD3 LYS 7 HD3 LYS 7 -6.900 -1.451 -10.495 9 HE2 LYS 7 HE2 LYS 7 -5.366 -2.990 -11.569 10 HE3 LYS 7 HE3 LYS 7 -6.580 -4.271 -11.516 11 HZ1 LYS 7 HZ1 LYS 7 -7.998 -2.887 -12.945 12 HZ2 LYS 7 HZ2 LYS 7 -6.761 -1.730 -13.048 13 HZ3 LYS 7 HZ3 LYS 7 -6.525 -3.278 -13.692 No H/Q in entry = 13 In of MODEL 18 1 H ILE 8 H ILE 8 -4.654 -3.668 -7.015 2 HA ILE 8 HA ILE 8 -3.687 -2.237 -4.664 3 HB ILE 8 HB ILE 8 -2.027 -4.039 -6.411 4 HG12 ILE 8 HG12 ILE 8 -3.968 -5.358 -5.840 5 HG13 ILE 8 HG13 ILE 8 -2.631 -5.879 -4.827 6 HG21 ILE 8 HG21 ILE 8 -1.882 -3.267 -3.499 7 HG22 ILE 8 HG22 ILE 8 -0.795 -4.395 -4.308 8 HG23 ILE 8 HG23 ILE 8 -0.825 -2.698 -4.791 9 HD11 ILE 8 HD11 ILE 8 -3.523 -4.551 -2.984 10 HD12 ILE 8 HD12 ILE 8 -4.872 -4.058 -4.007 11 HD13 ILE 8 HD13 ILE 8 -4.677 -5.755 -3.560 No H/Q in entry = 11 In of MODEL 18 1 H GLN 9 H GLN 9 -2.604 -0.409 -4.774 2 HA GLN 9 HA GLN 9 -0.954 0.126 -7.138 3 HB2 GLN 9 HB2 GLN 9 -2.854 2.026 -5.762 4 HB3 GLN 9 HB3 GLN 9 -1.553 2.579 -6.827 5 HG2 GLN 9 HG2 GLN 9 -2.542 1.530 -8.702 6 HG3 GLN 9 HG3 GLN 9 -3.680 0.637 -7.692 7 HE21 GLN 9 HE21 GLN 9 -2.870 3.732 -9.060 8 HE22 GLN 9 HE22 GLN 9 -4.412 4.484 -8.768 No H/Q in entry = 8 In of MODEL 18 1 H VAL 10 H VAL 10 1.089 0.267 -6.482 2 HA VAL 10 HA VAL 10 1.681 1.629 -3.969 3 HB VAL 10 HB VAL 10 1.785 -0.542 -3.108 4 HG11 VAL 10 HG11 VAL 10 1.496 -1.675 -5.300 5 HG12 VAL 10 HG12 VAL 10 3.239 -1.538 -5.547 6 HG13 VAL 10 HG13 VAL 10 2.605 -2.487 -4.197 7 HG21 VAL 10 HG21 VAL 10 4.573 0.049 -4.101 8 HG22 VAL 10 HG22 VAL 10 3.844 0.628 -2.602 9 HG23 VAL 10 HG23 VAL 10 4.170 -1.093 -2.819 No H/Q in entry = 9 In of MODEL 18 1 H TYR 11 H TYR 11 3.304 2.976 -4.107 2 HA TYR 11 HA TYR 11 5.431 2.729 -6.011 3 HB2 TYR 11 HB2 TYR 11 4.867 4.869 -7.200 4 HB3 TYR 11 HB3 TYR 11 3.767 3.543 -7.553 5 HD1 TYR 11 HD1 TYR 11 1.455 3.669 -6.979 6 HD2 TYR 11 HD2 TYR 11 4.124 6.748 -5.757 7 HE1 TYR 11 HE1 TYR 11 -0.462 5.089 -6.389 8 HE2 TYR 11 HE2 TYR 11 2.212 8.175 -5.164 9 HH TYR 11 HH TYR 11 -0.194 8.387 -5.820 No H/Q in entry = 9 In of MODEL 18 1 H SER 12 H SER 12 6.859 4.703 -5.929 2 HA SER 12 HA SER 12 7.268 5.403 -3.167 3 HB2 SER 12 HB2 SER 12 9.162 6.778 -4.612 4 HB3 SER 12 HB3 SER 12 9.357 5.095 -4.113 5 HG SER 12 HG SER 12 8.082 5.815 -6.548 No H/Q in entry = 5 In of MODEL 18 1 H ARG 13 H ARG 13 6.829 7.293 -2.173 2 HA ARG 13 HA ARG 13 5.007 9.105 -3.378 3 HB2 ARG 13 HB2 ARG 13 5.293 8.566 -0.882 4 HB3 ARG 13 HB3 ARG 13 6.697 9.613 -0.905 5 HG2 ARG 13 HG2 ARG 13 3.938 10.604 -1.613 6 HG3 ARG 13 HG3 ARG 13 4.581 10.591 0.022 7 HD2 ARG 13 HD2 ARG 13 5.784 12.023 -2.335 8 HD3 ARG 13 HD3 ARG 13 4.877 12.765 -1.021 9 HE ARG 13 HE ARG 13 7.541 11.545 -0.785 10 HH11 ARG 13 HH11 ARG 13 4.990 13.572 0.492 11 HH12 ARG 13 HH12 ARG 13 6.001 14.286 1.719 12 HH21 ARG 13 HH21 ARG 13 8.872 12.477 0.823 13 HH22 ARG 13 HH22 ARG 13 8.217 13.663 1.907 No H/Q in entry = 13 In of MODEL 18 1 H HIS 14 H HIS 14 8.423 9.393 -2.600 2 HA HIS 14 HA HIS 14 8.615 11.488 -4.639 3 HB2 HIS 14 HB2 HIS 14 9.913 11.290 -1.949 4 HB3 HIS 14 HB3 HIS 14 10.828 12.044 -3.251 5 HD2 HIS 14 HD2 HIS 14 7.532 13.228 -4.167 6 HE1 HIS 14 HE1 HIS 14 8.662 15.810 -1.014 7 HE2 HIS 14 HE2 HIS 14 6.966 15.390 -2.848 No H/Q in entry = 7 In of MODEL 18 1 HA PRO 15 HA PRO 15 11.604 9.203 -6.977 2 HB2 PRO 15 HB2 PRO 15 14.144 10.259 -6.398 3 HB3 PRO 15 HB3 PRO 15 13.061 10.776 -7.705 4 HG2 PRO 15 HG2 PRO 15 13.505 12.020 -5.000 5 HG3 PRO 15 HG3 PRO 15 13.123 12.798 -6.572 6 HD2 PRO 15 HD2 PRO 15 11.257 12.498 -4.642 7 HD3 PRO 15 HD3 PRO 15 10.845 12.358 -6.377 No H/Q in entry = 7 In of MODEL 18 1 H ALA 16 H ALA 16 12.364 7.232 -6.674 2 HA ALA 16 HA ALA 16 13.081 6.275 -4.086 3 HB1 ALA 16 HB1 ALA 16 11.898 4.900 -5.771 4 HB2 ALA 16 HB2 ALA 16 13.362 4.903 -6.749 5 HB3 ALA 16 HB3 ALA 16 13.369 4.137 -5.159 No H/Q in entry = 5 In of MODEL 18 1 H GLU 17 H GLU 17 15.022 6.782 -3.221 2 HA GLU 17 HA GLU 17 17.362 6.461 -4.958 3 HB2 GLU 17 HB2 GLU 17 16.935 8.819 -4.221 4 HB3 GLU 17 HB3 GLU 17 17.176 8.288 -2.557 5 HG2 GLU 17 HG2 GLU 17 19.183 9.326 -3.549 6 HG3 GLU 17 HG3 GLU 17 19.440 7.659 -3.032 No H/Q in entry = 6 In of MODEL 18 1 H ASN 18 H ASN 18 18.726 4.957 -4.378 2 HA ASN 18 HA ASN 18 18.120 3.360 -2.050 3 HB2 ASN 18 HB2 ASN 18 20.289 2.927 -4.133 4 HB3 ASN 18 HB3 ASN 18 19.901 1.831 -2.831 5 HD21 ASN 18 HD21 ASN 18 20.003 1.000 -5.417 6 HD22 ASN 18 HD22 ASN 18 18.423 0.526 -5.969 No H/Q in entry = 6 In of MODEL 18 1 H GLY 19 H GLY 19 19.181 3.276 -0.206 2 HA2 GLY 19 HA2 GLY 19 21.838 4.423 0.095 3 HA3 GLY 19 HA3 GLY 19 20.871 3.652 1.364 No H/Q in entry = 3 In of MODEL 18 1 H LYS 20 H LYS 20 18.556 5.308 0.477 2 HA LYS 20 HA LYS 20 19.224 7.790 1.876 3 HB2 LYS 20 HB2 LYS 20 19.491 8.022 -0.621 4 HB3 LYS 20 HB3 LYS 20 17.778 7.687 -0.768 5 HG2 LYS 20 HG2 LYS 20 18.207 10.056 -0.878 6 HG3 LYS 20 HG3 LYS 20 17.245 9.668 0.531 7 HD2 LYS 20 HD2 LYS 20 19.033 10.035 1.947 8 HD3 LYS 20 HD3 LYS 20 20.225 9.955 0.668 9 HE2 LYS 20 HE2 LYS 20 18.164 12.138 1.042 10 HE3 LYS 20 HE3 LYS 20 19.879 12.265 1.438 11 HZ1 LYS 20 HZ1 LYS 20 20.286 11.733 -0.991 12 HZ2 LYS 20 HZ2 LYS 20 18.634 12.028 -1.241 13 HZ3 LYS 20 HZ3 LYS 20 19.630 13.262 -0.650 No H/Q in entry = 13 In of MODEL 18 1 H SER 21 H SER 21 17.450 8.789 2.811 2 HA SER 21 HA SER 21 15.330 7.011 3.531 3 HB2 SER 21 HB2 SER 21 15.877 9.893 4.213 4 HB3 SER 21 HB3 SER 21 14.568 8.944 4.917 5 HG SER 21 HG SER 21 17.370 8.458 5.117 No H/Q in entry = 5 In of MODEL 18 1 H ASN 22 H ASN 22 13.233 7.065 2.959 2 HA ASN 22 HA ASN 22 12.188 9.167 1.233 3 HB2 ASN 22 HB2 ASN 22 13.368 7.421 -0.258 4 HB3 ASN 22 HB3 ASN 22 12.177 6.263 0.323 5 HD21 ASN 22 HD21 ASN 22 10.953 5.865 -1.383 6 HD22 ASN 22 HD22 ASN 22 10.154 7.052 -2.345 No H/Q in entry = 6 In of MODEL 18 1 H PHE 23 H PHE 23 9.813 8.376 0.567 2 HA PHE 23 HA PHE 23 8.618 7.062 2.921 3 HB2 PHE 23 HB2 PHE 23 7.618 9.446 1.350 4 HB3 PHE 23 HB3 PHE 23 6.591 8.515 2.426 5 HD1 PHE 23 HD1 PHE 23 9.996 10.067 2.622 6 HD2 PHE 23 HD2 PHE 23 6.174 9.530 4.416 7 HE1 PHE 23 HE1 PHE 23 10.679 11.505 4.498 8 HE2 PHE 23 HE2 PHE 23 6.851 10.969 6.295 9 HZ PHE 23 HZ PHE 23 9.107 11.949 6.341 No H/Q in entry = 9 In of MODEL 18 1 H LEU 24 H LEU 24 7.477 5.305 2.432 2 HA LEU 24 HA LEU 24 6.945 4.635 -0.360 3 HB2 LEU 24 HB2 LEU 24 7.558 3.167 1.866 4 HB3 LEU 24 HB3 LEU 24 5.834 2.896 1.735 5 HG LEU 24 HG LEU 24 7.985 2.168 -0.274 6 HD11 LEU 24 HD11 LEU 24 6.016 0.531 1.326 7 HD12 LEU 24 HD12 LEU 24 7.145 -0.110 0.131 8 HD13 LEU 24 HD13 LEU 24 7.754 0.644 1.605 9 HD21 LEU 24 HD21 LEU 24 4.990 2.112 -0.601 10 HD22 LEU 24 HD22 LEU 24 6.196 2.852 -1.660 11 HD23 LEU 24 HD23 LEU 24 6.081 1.097 -1.543 No H/Q in entry = 11 In of MODEL 18 1 H ASN 25 H ASN 25 4.852 4.235 -1.141 2 HA ASN 25 HA ASN 25 2.634 5.142 0.550 3 HB2 ASN 25 HB2 ASN 25 3.430 6.262 -2.114 4 HB3 ASN 25 HB3 ASN 25 1.718 6.143 -1.745 5 HD21 ASN 25 HD21 ASN 25 1.421 8.333 -1.748 6 HD22 ASN 25 HD22 ASN 25 2.020 9.361 -0.496 No H/Q in entry = 6 In of MODEL 18 1 H CYS 26 H CYS 26 1.015 3.706 0.546 2 HA CYS 26 HA CYS 26 0.728 1.942 -1.789 3 HB2 CYS 26 HB2 CYS 26 1.692 0.878 0.355 4 HB3 CYS 26 HB3 CYS 26 0.066 1.075 1.018 No H/Q in entry = 4 In of MODEL 18 1 H TYR 27 H TYR 27 -1.196 2.092 -2.704 2 HA TYR 27 HA TYR 27 -3.328 3.499 -1.233 3 HB2 TYR 27 HB2 TYR 27 -2.170 3.964 -3.934 4 HB3 TYR 27 HB3 TYR 27 -3.910 4.120 -3.781 5 HD1 TYR 27 HD1 TYR 27 -0.665 5.599 -2.915 6 HD2 TYR 27 HD2 TYR 27 -4.886 5.936 -2.475 7 HE1 TYR 27 HE1 TYR 27 -0.408 7.950 -2.255 8 HE2 TYR 27 HE2 TYR 27 -4.636 8.282 -1.809 9 HH TYR 27 HH TYR 27 -3.041 9.801 -0.960 No H/Q in entry = 9 In of MODEL 18 1 H VAL 28 H VAL 28 -4.856 2.024 -0.851 2 HA VAL 28 HA VAL 28 -5.549 0.202 -3.057 3 HB VAL 28 HB VAL 28 -6.224 -0.297 -0.161 4 HG11 VAL 28 HG11 VAL 28 -6.064 -2.082 -2.582 5 HG12 VAL 28 HG12 VAL 28 -6.428 -2.624 -0.942 6 HG13 VAL 28 HG13 VAL 28 -7.534 -1.534 -1.776 7 HG21 VAL 28 HG21 VAL 28 -3.778 -1.205 -1.674 8 HG22 VAL 28 HG22 VAL 28 -3.818 -0.171 -0.244 9 HG23 VAL 28 HG23 VAL 28 -4.300 -1.864 -0.122 No H/Q in entry = 9 In of MODEL 18 1 H SER 29 H SER 29 -7.466 0.555 -3.963 2 HA SER 29 HA SER 29 -9.562 1.885 -2.429 3 HB2 SER 29 HB2 SER 29 -9.922 3.481 -4.347 4 HB3 SER 29 HB3 SER 29 -8.446 3.757 -3.420 5 HG SER 29 HG SER 29 -7.478 2.311 -5.134 No H/Q in entry = 5 In of MODEL 18 1 H GLY 30 H GLY 30 -11.597 2.083 -3.862 2 HA2 GLY 30 HA2 GLY 30 -11.921 0.041 -5.859 3 HA3 GLY 30 HA3 GLY 30 -13.188 1.059 -5.182 No H/Q in entry = 3 In of MODEL 18 1 H PHE 31 H PHE 31 -14.544 0.076 -3.638 2 HA PHE 31 HA PHE 31 -14.532 -2.298 -2.701 3 HB2 PHE 31 HB2 PHE 31 -13.272 -2.592 -0.668 4 HB3 PHE 31 HB3 PHE 31 -12.191 -2.230 -2.012 5 HD1 PHE 31 HD1 PHE 31 -10.825 -0.307 -2.006 6 HD2 PHE 31 HD2 PHE 31 -13.626 -0.958 1.126 7 HE1 PHE 31 HE1 PHE 31 -9.652 1.346 -0.617 8 HE2 PHE 31 HE2 PHE 31 -12.452 0.686 2.518 9 HZ PHE 31 HZ PHE 31 -10.468 1.826 1.649 No H/Q in entry = 9 In of MODEL 18 1 H HIS 32 H HIS 32 -15.360 -2.563 -0.319 2 HA HIS 32 HA HIS 32 -16.641 -0.174 0.717 3 HB2 HIS 32 HB2 HIS 32 -18.424 -2.580 0.144 4 HB3 HIS 32 HB3 HIS 32 -18.902 -0.999 0.730 5 HD2 HIS 32 HD2 HIS 32 -17.854 -2.715 -2.622 6 HE1 HIS 32 HE1 HIS 32 -19.731 0.987 -3.444 7 HE2 HIS 32 HE2 HIS 32 -18.957 -1.216 -4.436 No H/Q in entry = 7 In of MODEL 18 1 HA PRO 33 HA PRO 33 -18.752 -0.314 2.460 2 HB2 PRO 33 HB2 PRO 33 -17.851 0.255 5.218 3 HB3 PRO 33 HB3 PRO 33 -19.477 -0.064 4.604 4 HG2 PRO 33 HG2 PRO 33 -18.174 -1.883 6.055 5 HG3 PRO 33 HG3 PRO 33 -19.199 -2.363 4.690 6 HD2 PRO 33 HD2 PRO 33 -16.215 -2.140 4.835 7 HD3 PRO 33 HD3 PRO 33 -17.218 -3.398 4.067 No H/Q in entry = 7 In of MODEL 18 1 H SER 34 H SER 34 -16.081 0.646 4.680 2 HA SER 34 HA SER 34 -15.126 2.602 2.760 3 HB2 SER 34 HB2 SER 34 -16.170 3.261 5.526 4 HB3 SER 34 HB3 SER 34 -15.181 4.361 4.569 5 HG SER 34 HG SER 34 -17.193 3.460 3.055 No H/Q in entry = 5 In of MODEL 18 1 H ASP 35 H ASP 35 -14.339 0.073 4.134 2 HA ASP 35 HA ASP 35 -11.886 0.977 5.474 3 HB2 ASP 35 HB2 ASP 35 -13.719 -1.116 6.662 4 HB3 ASP 35 HB3 ASP 35 -12.197 -0.553 7.340 No H/Q in entry = 4 In of MODEL 18 1 H ILE 36 H ILE 36 -10.147 -0.191 4.980 2 HA ILE 36 HA ILE 36 -10.384 -3.022 4.341 3 HB ILE 36 HB ILE 36 -10.400 -1.646 2.135 4 HG12 ILE 36 HG12 ILE 36 -8.579 -3.899 2.854 5 HG13 ILE 36 HG13 ILE 36 -10.029 -3.930 1.867 6 HG21 ILE 36 HG21 ILE 36 -7.520 -1.322 2.967 7 HG22 ILE 36 HG22 ILE 36 -8.143 -0.992 1.349 8 HG23 ILE 36 HG23 ILE 36 -8.690 -0.025 2.717 9 HD11 ILE 36 HD11 ILE 36 -7.360 -2.797 1.047 10 HD12 ILE 36 HD12 ILE 36 -8.016 -4.358 0.554 11 HD13 ILE 36 HD13 ILE 36 -8.806 -2.867 0.042 No H/Q in entry = 11 In of MODEL 18 1 H GLU 37 H GLU 37 -8.335 -4.138 4.703 2 HA GLU 37 HA GLU 37 -6.345 -2.438 6.037 3 HB2 GLU 37 HB2 GLU 37 -6.320 -5.422 6.297 4 HB3 GLU 37 HB3 GLU 37 -5.620 -4.196 7.350 5 HG2 GLU 37 HG2 GLU 37 -7.346 -4.999 8.587 6 HG3 GLU 37 HG3 GLU 37 -8.040 -3.555 7.851 No H/Q in entry = 6 In of MODEL 18 1 H VAL 38 H VAL 38 -4.347 -2.396 5.317 2 HA VAL 38 HA VAL 38 -3.470 -4.429 3.450 3 HB VAL 38 HB VAL 38 -3.664 -3.164 1.642 4 HG11 VAL 38 HG11 VAL 38 -4.193 -0.820 3.439 5 HG12 VAL 38 HG12 VAL 38 -4.375 -0.813 1.684 6 HG13 VAL 38 HG13 VAL 38 -5.381 -1.873 2.671 7 HG21 VAL 38 HG21 VAL 38 -1.610 -1.404 2.967 8 HG22 VAL 38 HG22 VAL 38 -1.320 -2.738 1.852 9 HG23 VAL 38 HG23 VAL 38 -2.097 -1.260 1.276 No H/Q in entry = 9 In of MODEL 18 1 H ASP 39 H ASP 39 -1.385 -4.914 3.599 2 HA ASP 39 HA ASP 39 0.127 -3.508 5.692 3 HB2 ASP 39 HB2 ASP 39 0.050 -5.330 6.993 4 HB3 ASP 39 HB3 ASP 39 -0.962 -6.129 5.808 No H/Q in entry = 4 In of MODEL 18 1 H LEU 40 H LEU 40 2.340 -3.363 5.410 2 HA LEU 40 HA LEU 40 3.154 -3.777 2.631 3 HB2 LEU 40 HB2 LEU 40 4.672 -2.225 4.715 4 HB3 LEU 40 HB3 LEU 40 4.865 -2.172 2.974 5 HG LEU 40 HG LEU 40 2.527 -1.089 4.538 6 HD11 LEU 40 HD11 LEU 40 4.561 0.238 4.758 7 HD12 LEU 40 HD12 LEU 40 4.730 0.285 3.001 8 HD13 LEU 40 HD13 LEU 40 3.361 1.083 3.778 9 HD21 LEU 40 HD21 LEU 40 3.063 -1.083 1.577 10 HD22 LEU 40 HD22 LEU 40 1.745 -1.906 2.413 11 HD23 LEU 40 HD23 LEU 40 1.806 -0.139 2.384 No H/Q in entry = 11 In of MODEL 18 1 H LEU 41 H LEU 41 4.927 -4.930 2.091 2 HA LEU 41 HA LEU 41 5.929 -6.703 4.209 3 HB2 LEU 41 HB2 LEU 41 5.956 -7.371 1.304 4 HB3 LEU 41 HB3 LEU 41 6.101 -8.438 2.663 5 HG LEU 41 HG LEU 41 3.568 -7.017 1.878 6 HD11 LEU 41 HD11 LEU 41 4.435 -8.731 0.269 7 HD12 LEU 41 HD12 LEU 41 4.285 -9.925 1.558 8 HD13 LEU 41 HD13 LEU 41 2.857 -9.087 0.951 9 HD21 LEU 41 HD21 LEU 41 4.109 -9.183 3.912 10 HD22 LEU 41 HD22 LEU 41 3.674 -7.510 4.263 11 HD23 LEU 41 HD23 LEU 41 2.517 -8.572 3.460 No H/Q in entry = 11 In of MODEL 18 1 H LYS 42 H LYS 42 7.830 -7.900 3.312 2 HA LYS 42 HA LYS 42 9.811 -6.349 1.928 3 HB2 LYS 42 HB2 LYS 42 10.003 -6.842 4.869 4 HB3 LYS 42 HB3 LYS 42 11.473 -6.847 3.896 5 HG2 LYS 42 HG2 LYS 42 11.096 -4.594 3.190 6 HG3 LYS 42 HG3 LYS 42 9.492 -4.568 3.932 7 HD2 LYS 42 HD2 LYS 42 10.491 -4.738 6.149 8 HD3 LYS 42 HD3 LYS 42 12.098 -4.940 5.441 9 HE2 LYS 42 HE2 LYS 42 11.698 -2.651 4.367 10 HE3 LYS 42 HE3 LYS 42 10.356 -2.495 5.501 11 HZ1 LYS 42 HZ1 LYS 42 11.959 -2.880 7.318 12 HZ2 LYS 42 HZ2 LYS 42 13.219 -2.884 6.181 13 HZ3 LYS 42 HZ3 LYS 42 12.301 -1.481 6.427 No H/Q in entry = 13 In of MODEL 18 1 H ASN 43 H ASN 43 10.133 -7.879 0.462 2 HA ASN 43 HA ASN 43 10.668 -9.827 -0.544 3 HB2 ASN 43 HB2 ASN 43 11.955 -10.320 2.126 4 HB3 ASN 43 HB3 ASN 43 11.992 -11.541 0.861 5 HD21 ASN 43 HD21 ASN 43 13.129 -8.434 1.888 6 HD22 ASN 43 HD22 ASN 43 14.351 -8.258 0.681 No H/Q in entry = 6 In of MODEL 18 1 H GLY 44 H GLY 44 8.731 -9.860 2.250 2 HA2 GLY 44 HA2 GLY 44 7.823 -12.593 1.899 3 HA3 GLY 44 HA3 GLY 44 6.684 -11.341 1.408 No H/Q in entry = 3 In of MODEL 18 1 H GLU 45 H GLU 45 8.417 -10.029 3.860 2 HA GLU 45 HA GLU 45 6.801 -11.263 5.964 3 HB2 GLU 45 HB2 GLU 45 9.363 -9.707 6.118 4 HB3 GLU 45 HB3 GLU 45 8.595 -10.582 7.443 5 HG2 GLU 45 HG2 GLU 45 9.602 -11.816 4.901 6 HG3 GLU 45 HG3 GLU 45 10.484 -11.759 6.402 No H/Q in entry = 6 In of MODEL 18 1 H ARG 46 H ARG 46 5.720 -10.030 7.439 2 HA ARG 46 HA ARG 46 4.636 -7.604 6.495 3 HB2 ARG 46 HB2 ARG 46 3.363 -9.230 7.799 4 HB3 ARG 46 HB3 ARG 46 4.416 -8.973 9.175 5 HG2 ARG 46 HG2 ARG 46 3.513 -6.892 9.612 6 HG3 ARG 46 HG3 ARG 46 2.803 -6.761 7.987 7 HD2 ARG 46 HD2 ARG 46 1.878 -8.504 10.270 8 HD3 ARG 46 HD3 ARG 46 0.941 -7.380 9.287 9 HE ARG 46 HE ARG 46 1.516 -9.050 7.410 10 HH11 ARG 46 HH11 ARG 46 0.708 -9.834 10.728 11 HH12 ARG 46 HH12 ARG 46 0.094 -11.411 10.337 12 HH21 ARG 46 HH21 ARG 46 0.714 -11.089 6.887 13 HH22 ARG 46 HH22 ARG 46 0.115 -12.143 8.142 No H/Q in entry = 13 In of MODEL 18 1 H ILE 47 H ILE 47 5.162 -5.555 6.882 2 HA ILE 47 HA ILE 47 7.329 -4.921 8.717 3 HB ILE 47 HB ILE 47 5.742 -3.088 6.905 4 HG12 ILE 47 HG12 ILE 47 8.499 -4.227 6.478 5 HG13 ILE 47 HG13 ILE 47 7.046 -4.872 5.719 6 HG21 ILE 47 HG21 ILE 47 6.801 -1.927 8.779 7 HG22 ILE 47 HG22 ILE 47 8.353 -2.651 8.362 8 HG23 ILE 47 HG23 ILE 47 7.588 -1.509 7.256 9 HD11 ILE 47 HD11 ILE 47 8.109 -2.079 5.365 10 HD12 ILE 47 HD12 ILE 47 8.297 -3.407 4.221 11 HD13 ILE 47 HD13 ILE 47 6.690 -2.767 4.571 No H/Q in entry = 11 In of MODEL 18 1 H GLU 48 H GLU 48 7.049 -3.770 10.579 2 HA GLU 48 HA GLU 48 4.309 -3.733 11.552 3 HB2 GLU 48 HB2 GLU 48 5.613 -3.342 13.791 4 HB3 GLU 48 HB3 GLU 48 5.509 -4.932 13.088 5 HG2 GLU 48 HG2 GLU 48 7.673 -4.947 13.446 6 HG3 GLU 48 HG3 GLU 48 7.777 -3.963 12.008 No H/Q in entry = 6 In of MODEL 18 1 H LYS 49 H LYS 49 7.060 -1.523 11.257 2 HA LYS 49 HA LYS 49 5.945 0.697 12.454 3 HB2 LYS 49 HB2 LYS 49 7.894 0.554 10.171 4 HB3 LYS 49 HB3 LYS 49 7.665 1.933 11.252 5 HG2 LYS 49 HG2 LYS 49 8.338 0.586 13.139 6 HG3 LYS 49 HG3 LYS 49 8.501 -0.818 12.113 7 HD2 LYS 49 HD2 LYS 49 10.110 1.690 11.678 8 HD3 LYS 49 HD3 LYS 49 10.641 0.379 12.731 9 HE2 LYS 49 HE2 LYS 49 10.468 -1.193 10.853 10 HE3 LYS 49 HE3 LYS 49 9.992 0.141 9.797 11 HZ1 LYS 49 HZ1 LYS 49 12.582 -0.049 11.247 12 HZ2 LYS 49 HZ2 LYS 49 12.356 -0.378 9.600 13 HZ3 LYS 49 HZ3 LYS 49 12.121 1.194 10.189 No H/Q in entry = 13 In of MODEL 18 1 H VAL 50 H VAL 50 4.782 -0.768 9.683 2 HA VAL 50 HA VAL 50 4.039 1.409 8.080 3 HB VAL 50 HB VAL 50 2.567 -1.188 8.479 4 HG11 VAL 50 HG11 VAL 50 1.225 0.653 7.459 5 HG12 VAL 50 HG12 VAL 50 2.431 0.748 6.167 6 HG13 VAL 50 HG13 VAL 50 1.488 -0.727 6.378 7 HG21 VAL 50 HG21 VAL 50 4.942 -1.385 7.805 8 HG22 VAL 50 HG22 VAL 50 3.817 -1.991 6.596 9 HG23 VAL 50 HG23 VAL 50 4.580 -0.420 6.379 No H/Q in entry = 9 In of MODEL 18 1 H GLU 51 H GLU 51 2.680 2.998 8.420 2 HA GLU 51 HA GLU 51 0.366 2.487 10.143 3 HB2 GLU 51 HB2 GLU 51 2.108 4.937 10.024 4 HB3 GLU 51 HB3 GLU 51 0.492 4.948 10.728 5 HG2 GLU 51 HG2 GLU 51 2.643 3.057 11.595 6 HG3 GLU 51 HG3 GLU 51 2.389 4.640 12.338 No H/Q in entry = 6 In of MODEL 18 1 H HIS 52 H HIS 52 -1.423 3.711 9.745 2 HA HIS 52 HA HIS 52 -1.699 4.723 6.997 3 HB2 HIS 52 HB2 HIS 52 -4.118 4.149 7.146 4 HB3 HIS 52 HB3 HIS 52 -3.053 2.753 7.204 5 HD2 HIS 52 HD2 HIS 52 -2.791 1.654 9.910 6 HE1 HIS 52 HE1 HIS 52 -6.553 3.238 11.019 7 HE2 HIS 52 HE2 HIS 52 -4.856 1.412 11.458 No H/Q in entry = 7 In of MODEL 18 1 H SER 53 H SER 53 -2.397 6.737 6.709 2 HA SER 53 HA SER 53 -2.878 8.342 9.097 3 HB2 SER 53 HB2 SER 53 -1.887 8.884 6.346 4 HB3 SER 53 HB3 SER 53 -2.753 10.192 7.159 5 HG SER 53 HG SER 53 -0.356 8.888 7.920 No H/Q in entry = 5 In of MODEL 18 1 H ASP 54 H ASP 54 -4.230 10.479 7.969 2 HA ASP 54 HA ASP 54 -6.845 10.050 8.446 3 HB2 ASP 54 HB2 ASP 54 -5.917 12.269 8.116 4 HB3 ASP 54 HB3 ASP 54 -5.681 11.945 6.401 No H/Q in entry = 4 In of MODEL 18 1 H LEU 55 H LEU 55 -8.367 8.890 7.646 2 HA LEU 55 HA LEU 55 -8.227 7.281 5.382 3 HB2 LEU 55 HB2 LEU 55 -9.815 7.232 7.455 4 HB3 LEU 55 HB3 LEU 55 -10.851 8.248 6.480 5 HG LEU 55 HG LEU 55 -11.452 5.828 6.477 6 HD11 LEU 55 HD11 LEU 55 -12.185 7.269 4.658 7 HD12 LEU 55 HD12 LEU 55 -10.684 6.951 3.789 8 HD13 LEU 55 HD13 LEU 55 -11.830 5.642 4.079 9 HD21 LEU 55 HD21 LEU 55 -8.870 5.549 4.958 10 HD22 LEU 55 HD22 LEU 55 -9.222 4.895 6.557 11 HD23 LEU 55 HD23 LEU 55 -10.093 4.293 5.148 No H/Q in entry = 11 In of MODEL 18 1 H SER 56 H SER 56 -10.945 9.447 5.525 2 HA SER 56 HA SER 56 -10.438 11.302 3.562 3 HB2 SER 56 HB2 SER 56 -11.299 8.647 2.436 4 HB3 SER 56 HB3 SER 56 -11.868 10.136 1.684 5 HG SER 56 HG SER 56 -9.132 9.533 2.164 No H/Q in entry = 5 In of MODEL 18 1 H PHE 57 H PHE 57 -12.296 12.483 3.008 2 HA PHE 57 HA PHE 57 -14.868 11.313 3.847 3 HB2 PHE 57 HB2 PHE 57 -14.311 13.215 5.352 4 HB3 PHE 57 HB3 PHE 57 -14.175 14.274 3.950 5 HD1 PHE 57 HD1 PHE 57 -16.555 12.120 5.806 6 HD2 PHE 57 HD2 PHE 57 -16.050 15.347 3.077 7 HE1 PHE 57 HE1 PHE 57 -18.963 12.610 5.944 8 HE2 PHE 57 HE2 PHE 57 -18.457 15.841 3.209 9 HZ PHE 57 HZ PHE 57 -19.916 14.471 4.643 No H/Q in entry = 9 In of MODEL 18 1 H SER 58 H SER 58 -15.890 10.761 2.077 2 HA SER 58 HA SER 58 -15.191 12.093 -0.418 3 HB2 SER 58 HB2 SER 58 -16.401 10.149 -1.451 4 HB3 SER 58 HB3 SER 58 -15.008 9.699 -0.466 5 HG SER 58 HG SER 58 -17.372 8.730 -0.227 No H/Q in entry = 5 In of MODEL 18 1 H LYS 59 H LYS 59 -16.484 13.404 -1.461 2 HA LYS 59 HA LYS 59 -19.201 13.816 -0.512 3 HB2 LYS 59 HB2 LYS 59 -17.779 15.778 -0.982 4 HB3 LYS 59 HB3 LYS 59 -17.642 15.267 -2.660 5 HG2 LYS 59 HG2 LYS 59 -19.268 17.015 -2.516 6 HG3 LYS 59 HG3 LYS 59 -20.099 15.503 -2.883 7 HD2 LYS 59 HD2 LYS 59 -21.384 16.639 -1.225 8 HD3 LYS 59 HD3 LYS 59 -20.587 15.279 -0.434 9 HE2 LYS 59 HE2 LYS 59 -20.421 17.208 0.990 10 HE3 LYS 59 HE3 LYS 59 -18.820 16.838 0.350 11 HZ1 LYS 59 HZ1 LYS 59 -19.125 18.583 -1.306 12 HZ2 LYS 59 HZ2 LYS 59 -20.655 18.938 -0.672 13 HZ3 LYS 59 HZ3 LYS 59 -19.269 19.202 0.265 No H/Q in entry = 13 In of MODEL 18 1 H ASP 60 H ASP 60 -17.679 13.363 -3.747 2 HA ASP 60 HA ASP 60 -20.157 12.009 -4.558 3 HB2 ASP 60 HB2 ASP 60 -19.749 14.229 -5.603 4 HB3 ASP 60 HB3 ASP 60 -18.248 13.604 -6.277 No H/Q in entry = 4 In of MODEL 18 1 H TRP 61 H TRP 61 -16.751 11.700 -4.220 2 HA TRP 61 HA TRP 61 -16.656 9.507 -6.156 3 HB2 TRP 61 HB2 TRP 61 -14.407 10.872 -4.670 4 HB3 TRP 61 HB3 TRP 61 -14.207 9.579 -5.849 5 HD1 TRP 61 HD1 TRP 61 -14.370 13.264 -5.582 6 HE1 TRP 61 HE1 TRP 61 -14.448 14.337 -7.917 7 HE3 TRP 61 HE3 TRP 61 -15.341 9.080 -8.347 8 HZ2 TRP 61 HZ2 TRP 61 -14.875 13.513 -10.587 9 HZ3 TRP 61 HZ3 TRP 61 -15.574 9.290 -10.780 10 HH2 TRP 61 HH2 TRP 61 -15.343 11.491 -11.892 No H/Q in entry = 10 In of MODEL 18 1 H SER 62 H SER 62 -14.789 7.845 -5.266 2 HA SER 62 HA SER 62 -16.120 6.437 -3.142 3 HB2 SER 62 HB2 SER 62 -13.618 5.828 -4.747 4 HB3 SER 62 HB3 SER 62 -14.310 4.717 -3.557 5 HG SER 62 HG SER 62 -15.655 5.738 -5.861 No H/Q in entry = 5 In of MODEL 18 1 H PHE 63 H PHE 63 -14.347 5.258 -1.610 2 HA PHE 63 HA PHE 63 -13.170 7.464 -0.084 3 HB2 PHE 63 HB2 PHE 63 -13.404 4.638 0.919 4 HB3 PHE 63 HB3 PHE 63 -13.417 6.139 1.836 5 HD1 PHE 63 HD1 PHE 63 -15.483 7.435 2.075 6 HD2 PHE 63 HD2 PHE 63 -15.406 3.788 -0.130 7 HE1 PHE 63 HE1 PHE 63 -17.955 7.331 2.156 8 HE2 PHE 63 HE2 PHE 63 -17.866 3.687 -0.059 9 HZ PHE 63 HZ PHE 63 -19.135 5.458 1.084 No H/Q in entry = 9 In of MODEL 18 1 H TYR 64 H TYR 64 -11.032 7.377 0.667 2 HA TYR 64 HA TYR 64 -9.305 5.478 -0.786 3 HB2 TYR 64 HB2 TYR 64 -8.606 8.344 -0.092 4 HB3 TYR 64 HB3 TYR 64 -7.685 7.249 -1.115 5 HD1 TYR 64 HD1 TYR 64 -8.547 6.658 -3.380 6 HD2 TYR 64 HD2 TYR 64 -10.431 9.603 -0.953 7 HE1 TYR 64 HE1 TYR 64 -9.739 7.522 -5.355 8 HE2 TYR 64 HE2 TYR 64 -11.628 10.467 -2.917 9 HH TYR 64 HH TYR 64 -11.368 10.482 -5.377 No H/Q in entry = 9 In of MODEL 18 1 H LEU 65 H LEU 65 -7.527 4.652 0.353 2 HA LEU 65 HA LEU 65 -7.018 5.647 3.044 3 HB2 LEU 65 HB2 LEU 65 -8.521 3.986 3.612 4 HB3 LEU 65 HB3 LEU 65 -7.980 2.902 2.348 5 HG LEU 65 HG LEU 65 -6.062 3.485 4.555 6 HD11 LEU 65 HD11 LEU 65 -8.410 3.153 5.526 7 HD12 LEU 65 HD12 LEU 65 -8.284 1.501 4.925 8 HD13 LEU 65 HD13 LEU 65 -7.129 2.097 6.115 9 HD21 LEU 65 HD21 LEU 65 -5.503 2.007 2.671 10 HD22 LEU 65 HD22 LEU 65 -5.538 1.133 4.203 11 HD23 LEU 65 HD23 LEU 65 -6.885 0.987 3.073 No H/Q in entry = 11 In of MODEL 18 1 H LEU 66 H LEU 66 -4.955 5.651 3.611 2 HA LEU 66 HA LEU 66 -3.058 4.658 1.594 3 HB2 LEU 66 HB2 LEU 66 -3.522 7.211 2.130 4 HB3 LEU 66 HB3 LEU 66 -2.425 6.901 3.440 5 HG LEU 66 HG LEU 66 -1.765 6.510 0.538 6 HD11 LEU 66 HD11 LEU 66 -0.982 8.700 2.457 7 HD12 LEU 66 HD12 LEU 66 -0.333 8.491 0.832 8 HD13 LEU 66 HD13 LEU 66 -2.041 8.864 1.057 9 HD21 LEU 66 HD21 LEU 66 -0.039 6.341 2.988 10 HD22 LEU 66 HD22 LEU 66 -0.490 5.013 1.924 11 HD23 LEU 66 HD23 LEU 66 0.549 6.307 1.328 No H/Q in entry = 11 In of MODEL 18 1 H TYR 67 H TYR 67 -1.603 3.229 2.260 2 HA TYR 67 HA TYR 67 -0.865 3.126 5.111 3 HB2 TYR 67 HB2 TYR 67 -1.425 0.951 3.175 4 HB3 TYR 67 HB3 TYR 67 -0.102 0.712 4.307 5 HD1 TYR 67 HD1 TYR 67 -0.539 0.565 6.723 6 HD2 TYR 67 HD2 TYR 67 -3.717 0.896 3.906 7 HE1 TYR 67 HE1 TYR 67 -2.122 -0.285 8.408 8 HE2 TYR 67 HE2 TYR 67 -5.279 0.030 5.572 9 HH TYR 67 HH TYR 67 -4.541 -0.244 8.869 No H/Q in entry = 9 In of MODEL 18 1 H TYR 68 H TYR 68 1.148 3.634 5.525 2 HA TYR 68 HA TYR 68 3.153 3.300 3.404 3 HB2 TYR 68 HB2 TYR 68 3.950 5.612 3.676 4 HB3 TYR 68 HB3 TYR 68 2.270 5.577 3.135 5 HD1 TYR 68 HD1 TYR 68 4.492 6.260 5.999 6 HD2 TYR 68 HD2 TYR 68 0.524 6.476 4.482 7 HE1 TYR 68 HE1 TYR 68 3.867 7.738 7.861 8 HE2 TYR 68 HE2 TYR 68 -0.114 7.957 6.333 9 HH TYR 68 HH TYR 68 2.202 9.374 8.441 No H/Q in entry = 9 In of MODEL 18 1 H THR 69 H THR 69 5.365 3.743 4.122 2 HA THR 69 HA THR 69 5.842 3.752 6.982 3 HB THR 69 HB THR 69 5.609 1.327 6.417 4 HG1 THR 69 HG1 THR 69 7.003 2.059 8.116 5 HG21 THR 69 HG21 THR 69 7.973 1.894 4.630 6 HG22 THR 69 HG22 THR 69 7.550 0.275 5.188 7 HG23 THR 69 HG23 THR 69 6.419 1.184 4.181 No H/Q in entry = 7 In of MODEL 18 1 H GLU 70 H GLU 70 7.763 4.731 7.468 2 HA GLU 70 HA GLU 70 9.215 5.984 5.346 3 HB2 GLU 70 HB2 GLU 70 10.255 5.990 8.137 4 HB3 GLU 70 HB3 GLU 70 10.026 7.344 7.040 5 HG2 GLU 70 HG2 GLU 70 7.691 7.396 7.491 6 HG3 GLU 70 HG3 GLU 70 7.803 5.922 8.446 No H/Q in entry = 6 In of MODEL 18 1 H PHE 71 H PHE 71 11.189 5.350 4.579 2 HA PHE 71 HA PHE 71 12.473 3.094 5.817 3 HB2 PHE 71 HB2 PHE 71 12.321 1.596 3.900 4 HB3 PHE 71 HB3 PHE 71 10.714 2.012 4.473 5 HD1 PHE 71 HD1 PHE 71 11.149 4.889 2.991 6 HD2 PHE 71 HD2 PHE 71 11.190 0.792 1.855 7 HE1 PHE 71 HE1 PHE 71 10.529 5.521 0.709 8 HE2 PHE 71 HE2 PHE 71 10.569 1.413 -0.443 9 HZ PHE 71 HZ PHE 71 10.248 3.794 -1.032 No H/Q in entry = 9 In of MODEL 18 1 H THR 72 H THR 72 14.504 2.472 4.717 2 HA THR 72 HA THR 72 15.565 4.575 2.961 3 HB THR 72 HB THR 72 17.142 2.879 4.914 4 HG1 THR 72 HG1 THR 72 16.164 5.548 5.039 5 HG21 THR 72 HG21 THR 72 18.417 3.600 2.931 6 HG22 THR 72 HG22 THR 72 17.961 5.272 3.263 7 HG23 THR 72 HG23 THR 72 18.983 4.394 4.401 No H/Q in entry = 7 In of MODEL 18 1 HA PRO 73 HA PRO 73 15.096 0.721 0.436 2 HB2 PRO 73 HB2 PRO 73 15.771 2.271 -1.855 3 HB3 PRO 73 HB3 PRO 73 14.160 1.728 -1.363 4 HG2 PRO 73 HG2 PRO 73 15.463 4.360 -1.023 5 HG3 PRO 73 HG3 PRO 73 13.738 3.974 -1.135 6 HD2 PRO 73 HD2 PRO 73 14.915 4.676 1.207 7 HD3 PRO 73 HD3 PRO 73 13.558 3.528 1.128 No H/Q in entry = 7 In of MODEL 18 1 H THR 74 H THR 74 16.510 -0.585 -0.528 2 HA THR 74 HA THR 74 19.214 0.290 -1.075 3 HB THR 74 HB THR 74 20.256 -1.555 0.026 4 HG1 THR 74 HG1 THR 74 17.600 -2.488 0.318 5 HG21 THR 74 HG21 THR 74 18.204 -0.399 1.914 6 HG22 THR 74 HG22 THR 74 19.682 -1.233 2.393 7 HG23 THR 74 HG23 THR 74 19.777 0.303 1.532 No H/Q in entry = 7 In of MODEL 18 1 H GLU 75 H GLU 75 20.326 -1.687 -2.329 2 HA GLU 75 HA GLU 75 18.483 -2.532 -4.342 3 HB2 GLU 75 HB2 GLU 75 20.694 -1.919 -4.976 4 HB3 GLU 75 HB3 GLU 75 21.405 -3.058 -3.858 5 HG2 GLU 75 HG2 GLU 75 19.672 -4.062 -6.055 6 HG3 GLU 75 HG3 GLU 75 21.317 -3.544 -6.397 No H/Q in entry = 6 In of MODEL 18 1 H LYS 76 H LYS 76 19.999 -3.995 -1.588 2 HA LYS 76 HA LYS 76 19.504 -6.628 -2.458 3 HB2 LYS 76 HB2 LYS 76 20.452 -5.502 0.165 4 HB3 LYS 76 HB3 LYS 76 20.362 -7.222 -0.180 5 HG2 LYS 76 HG2 LYS 76 22.224 -7.201 -1.431 6 HG3 LYS 76 HG3 LYS 76 21.834 -5.648 -2.168 7 HD2 LYS 76 HD2 LYS 76 23.836 -5.444 -0.837 8 HD3 LYS 76 HD3 LYS 76 22.530 -4.518 -0.097 9 HE2 LYS 76 HE2 LYS 76 22.128 -6.425 1.446 10 HE3 LYS 76 HE3 LYS 76 23.532 -7.236 0.749 11 HZ1 LYS 76 HZ1 LYS 76 24.842 -5.232 1.408 12 HZ2 LYS 76 HZ2 LYS 76 23.486 -4.696 2.283 13 HZ3 LYS 76 HZ3 LYS 76 24.249 -6.153 2.701 No H/Q in entry = 13 In of MODEL 18 1 H ASP 77 H ASP 77 17.782 -4.303 -0.469 2 HA ASP 77 HA ASP 77 16.050 -6.466 0.445 3 HB2 ASP 77 HB2 ASP 77 15.187 -5.008 2.109 4 HB3 ASP 77 HB3 ASP 77 16.917 -4.754 2.094 No H/Q in entry = 4 In of MODEL 18 1 H GLU 78 H GLU 78 13.630 -5.792 0.546 2 HA GLU 78 HA GLU 78 12.721 -4.507 -1.873 3 HB2 GLU 78 HB2 GLU 78 13.510 -6.727 -2.629 4 HB3 GLU 78 HB3 GLU 78 12.410 -7.503 -1.504 5 HG2 GLU 78 HG2 GLU 78 11.476 -7.585 -3.712 6 HG3 GLU 78 HG3 GLU 78 10.510 -6.449 -2.781 No H/Q in entry = 6 In of MODEL 18 1 H TYR 79 H TYR 79 10.523 -4.067 -1.789 2 HA TYR 79 HA TYR 79 9.169 -4.815 0.693 3 HB2 TYR 79 HB2 TYR 79 8.660 -2.190 -0.680 4 HB3 TYR 79 HB3 TYR 79 8.337 -2.644 0.991 5 HD1 TYR 79 HD1 TYR 79 10.101 -2.654 2.648 6 HD2 TYR 79 HD2 TYR 79 10.864 -1.451 -1.357 7 HE1 TYR 79 HE1 TYR 79 12.223 -1.647 3.358 8 HE2 TYR 79 HE2 TYR 79 12.989 -0.449 -0.658 9 HH TYR 79 HH TYR 79 14.555 -1.117 2.001 No H/Q in entry = 9 In of MODEL 18 1 H ALA 80 H ALA 80 6.856 -4.893 0.621 2 HA ALA 80 HA ALA 80 5.693 -4.995 -2.070 3 HB1 ALA 80 HB1 ALA 80 6.567 -7.289 -1.287 4 HB2 ALA 80 HB2 ALA 80 4.926 -7.185 -1.933 5 HB3 ALA 80 HB3 ALA 80 5.183 -7.263 -0.197 No H/Q in entry = 5 In of MODEL 18 1 H CYS 81 H CYS 81 3.295 -5.166 -2.020 2 HA CYS 81 HA CYS 81 2.176 -4.078 0.484 3 HB2 CYS 81 HB2 CYS 81 1.677 -3.443 -2.391 4 HB3 CYS 81 HB3 CYS 81 0.312 -3.363 -1.285 No H/Q in entry = 4 In of MODEL 18 1 H ARG 82 H ARG 82 0.625 -5.242 1.446 2 HA ARG 82 HA ARG 82 -0.657 -7.469 -0.037 3 HB2 ARG 82 HB2 ARG 82 0.927 -8.056 1.888 4 HB3 ARG 82 HB3 ARG 82 -0.240 -7.268 2.939 5 HG2 ARG 82 HG2 ARG 82 -1.970 -8.885 2.171 6 HG3 ARG 82 HG3 ARG 82 -0.704 -9.746 1.292 7 HD2 ARG 82 HD2 ARG 82 0.144 -10.677 3.181 8 HD3 ARG 82 HD3 ARG 82 -0.084 -9.201 4.120 9 HE ARG 82 HE ARG 82 -2.174 -11.216 3.583 10 HH11 ARG 82 HH11 ARG 82 -0.708 -8.710 5.547 11 HH12 ARG 82 HH12 ARG 82 -1.797 -8.957 6.889 12 HH21 ARG 82 HH21 ARG 82 -3.600 -11.545 5.363 13 HH22 ARG 82 HH22 ARG 82 -3.434 -10.557 6.785 No H/Q in entry = 13 In of MODEL 18 1 H VAL 83 H VAL 83 -2.901 -7.440 -0.023 2 HA VAL 83 HA VAL 83 -4.165 -5.704 1.996 3 HB VAL 83 HB VAL 83 -5.587 -4.586 0.600 4 HG11 VAL 83 HG11 VAL 83 -3.090 -4.982 -0.997 5 HG12 VAL 83 HG12 VAL 83 -4.277 -3.707 -1.274 6 HG13 VAL 83 HG13 VAL 83 -3.389 -3.774 0.250 7 HG21 VAL 83 HG21 VAL 83 -5.092 -6.661 -1.518 8 HG22 VAL 83 HG22 VAL 83 -6.574 -6.403 -0.595 9 HG23 VAL 83 HG23 VAL 83 -6.035 -5.191 -1.758 No H/Q in entry = 9 In of MODEL 18 1 H ASN 84 H ASN 84 -6.051 -6.317 2.804 2 HA ASN 84 HA ASN 84 -7.018 -8.986 2.027 3 HB2 ASN 84 HB2 ASN 84 -7.286 -7.566 4.709 4 HB3 ASN 84 HB3 ASN 84 -7.985 -9.131 4.322 5 HD21 ASN 84 HD21 ASN 84 -5.050 -7.406 5.000 6 HD22 ASN 84 HD22 ASN 84 -4.076 -8.807 5.307 No H/Q in entry = 6 In of MODEL 18 1 H HIS 85 H HIS 85 -8.954 -8.964 0.924 2 HA HIS 85 HA HIS 85 -11.112 -7.628 2.320 3 HB2 HIS 85 HB2 HIS 85 -10.180 -6.207 0.311 4 HB3 HIS 85 HB3 HIS 85 -11.045 -7.388 -0.669 5 HD2 HIS 85 HD2 HIS 85 -11.907 -4.830 2.212 6 HE1 HIS 85 HE1 HIS 85 -15.302 -5.485 -0.240 7 HE2 HIS 85 HE2 HIS 85 -14.363 -4.135 1.689 No H/Q in entry = 7 In of MODEL 18 1 H VAL 86 H VAL 86 -13.232 -8.522 1.559 2 HA VAL 86 HA VAL 86 -13.045 -11.344 1.494 3 HB VAL 86 HB VAL 86 -15.478 -11.357 1.359 4 HG11 VAL 86 HG11 VAL 86 -14.428 -9.228 3.219 5 HG12 VAL 86 HG12 VAL 86 -15.976 -10.058 3.383 6 HG13 VAL 86 HG13 VAL 86 -14.469 -10.964 3.530 7 HG21 VAL 86 HG21 VAL 86 -15.727 -9.526 -0.272 8 HG22 VAL 86 HG22 VAL 86 -16.777 -9.319 1.131 9 HG23 VAL 86 HG23 VAL 86 -15.301 -8.366 0.985 No H/Q in entry = 9 In of MODEL 18 1 H THR 87 H THR 87 -13.159 -8.958 -0.979 2 HA THR 87 HA THR 87 -14.458 -10.458 -2.990 3 HB THR 87 HB THR 87 -13.466 -8.747 -4.512 4 HG1 THR 87 HG1 THR 87 -12.551 -7.082 -2.618 5 HG21 THR 87 HG21 THR 87 -14.762 -7.753 -1.986 6 HG22 THR 87 HG22 THR 87 -14.573 -6.784 -3.446 7 HG23 THR 87 HG23 THR 87 -15.578 -8.239 -3.475 No H/Q in entry = 7 In of MODEL 18 1 H LEU 88 H LEU 88 -11.082 -9.844 -2.220 2 HA LEU 88 HA LEU 88 -10.028 -11.053 -4.543 3 HB2 LEU 88 HB2 LEU 88 -8.745 -10.494 -1.866 4 HB3 LEU 88 HB3 LEU 88 -7.862 -11.060 -3.270 5 HG LEU 88 HG LEU 88 -9.297 -8.419 -2.982 6 HD11 LEU 88 HD11 LEU 88 -7.136 -8.538 -1.839 7 HD12 LEU 88 HD12 LEU 88 -6.373 -9.095 -3.338 8 HD13 LEU 88 HD13 LEU 88 -7.065 -7.466 -3.252 9 HD21 LEU 88 HD21 LEU 88 -7.879 -9.594 -5.371 10 HD22 LEU 88 HD22 LEU 88 -9.604 -9.249 -5.237 11 HD23 LEU 88 HD23 LEU 88 -8.437 -7.927 -5.235 No H/Q in entry = 11 In of MODEL 18 1 H SER 89 H SER 89 -11.069 -12.285 -1.495 2 HA SER 89 HA SER 89 -11.418 -14.363 -0.718 3 HB2 SER 89 HB2 SER 89 -12.307 -14.910 -2.883 4 HB3 SER 89 HB3 SER 89 -10.696 -15.209 -3.488 5 HG SER 89 HG SER 89 -10.549 -16.948 -1.957 No H/Q in entry = 5 In of MODEL 18 1 H GLN 90 H GLN 90 -8.437 -13.424 -2.010 2 HA GLN 90 HA GLN 90 -6.979 -14.846 0.046 3 HB2 GLN 90 HB2 GLN 90 -5.925 -14.833 -2.787 4 HB3 GLN 90 HB3 GLN 90 -5.373 -15.797 -1.428 5 HG2 GLN 90 HG2 GLN 90 -7.115 -17.322 -1.637 6 HG3 GLN 90 HG3 GLN 90 -8.104 -16.193 -2.576 7 HE21 GLN 90 HE21 GLN 90 -8.422 -17.713 -4.185 8 HE22 GLN 90 HE22 GLN 90 -7.180 -18.149 -5.308 No H/Q in entry = 8 In of MODEL 18 1 HA PRO 91 HA PRO 91 -5.693 -10.496 0.202 2 HB2 PRO 91 HB2 PRO 91 -3.279 -11.856 1.367 3 HB3 PRO 91 HB3 PRO 91 -4.102 -10.376 1.896 4 HG2 PRO 91 HG2 PRO 91 -4.568 -12.604 3.201 5 HG3 PRO 91 HG3 PRO 91 -5.939 -11.559 2.745 6 HD2 PRO 91 HD2 PRO 91 -5.002 -14.134 1.496 7 HD3 PRO 91 HD3 PRO 91 -6.678 -13.569 1.781 No H/Q in entry = 7 In of MODEL 18 1 H LYS 92 H LYS 92 -4.143 -9.165 -0.821 2 HA LYS 92 HA LYS 92 -3.024 -10.550 -3.155 3 HB2 LYS 92 HB2 LYS 92 -4.980 -9.033 -3.553 4 HB3 LYS 92 HB3 LYS 92 -3.966 -7.693 -3.026 5 HG2 LYS 92 HG2 LYS 92 -3.961 -7.810 -5.430 6 HG3 LYS 92 HG3 LYS 92 -2.366 -8.255 -4.799 7 HD2 LYS 92 HD2 LYS 92 -3.072 -9.776 -6.583 8 HD3 LYS 92 HD3 LYS 92 -2.900 -10.603 -5.035 9 HE2 LYS 92 HE2 LYS 92 -5.365 -10.363 -4.722 10 HE3 LYS 92 HE3 LYS 92 -5.457 -9.749 -6.373 11 HZ1 LYS 92 HZ1 LYS 92 -4.297 -12.386 -5.676 12 HZ2 LYS 92 HZ2 LYS 92 -5.919 -12.174 -6.120 13 HZ3 LYS 92 HZ3 LYS 92 -4.682 -11.804 -7.224 No H/Q in entry = 13 In of MODEL 18 1 H ILE 93 H ILE 93 -0.897 -10.397 -3.447 2 HA ILE 93 HA ILE 93 0.520 -8.204 -2.095 3 HB ILE 93 HB ILE 93 1.609 -10.872 -2.975 4 HG12 ILE 93 HG12 ILE 93 2.162 -10.882 -0.408 5 HG13 ILE 93 HG13 ILE 93 0.859 -9.711 -0.321 6 HG21 ILE 93 HG21 ILE 93 3.238 -9.083 -3.315 7 HG22 ILE 93 HG22 ILE 93 3.037 -8.592 -1.631 8 HG23 ILE 93 HG23 ILE 93 3.729 -10.169 -2.010 9 HD11 ILE 93 HD11 ILE 93 0.633 -12.498 -1.427 10 HD12 ILE 93 HD12 ILE 93 0.105 -11.973 0.172 11 HD13 ILE 93 HD13 ILE 93 -0.675 -11.328 -1.269 No H/Q in entry = 11 In of MODEL 18 1 H VAL 94 H VAL 94 1.412 -6.729 -3.296 2 HA VAL 94 HA VAL 94 2.386 -7.439 -5.974 3 HB VAL 94 HB VAL 94 1.118 -4.800 -5.179 4 HG11 VAL 94 HG11 VAL 94 3.033 -4.449 -6.655 5 HG12 VAL 94 HG12 VAL 94 2.376 -5.618 -7.800 6 HG13 VAL 94 HG13 VAL 94 1.519 -4.106 -7.493 7 HG21 VAL 94 HG21 VAL 94 -0.516 -6.556 -5.623 8 HG22 VAL 94 HG22 VAL 94 -0.544 -5.335 -6.896 9 HG23 VAL 94 HG23 VAL 94 0.248 -6.885 -7.179 No H/Q in entry = 9 In of MODEL 18 1 H LYS 95 H LYS 95 4.466 -6.916 -6.300 2 HA LYS 95 HA LYS 95 5.884 -5.931 -3.960 3 HB2 LYS 95 HB2 LYS 95 7.551 -7.292 -4.582 4 HB3 LYS 95 HB3 LYS 95 6.424 -7.951 -5.751 5 HG2 LYS 95 HG2 LYS 95 7.349 -6.714 -7.499 6 HG3 LYS 95 HG3 LYS 95 8.187 -5.623 -6.387 7 HD2 LYS 95 HD2 LYS 95 9.279 -7.875 -5.564 8 HD3 LYS 95 HD3 LYS 95 8.869 -8.396 -7.196 9 HE2 LYS 95 HE2 LYS 95 11.174 -7.197 -6.559 10 HE3 LYS 95 HE3 LYS 95 10.425 -7.063 -8.154 11 HZ1 LYS 95 HZ1 LYS 95 9.379 -4.982 -7.374 12 HZ2 LYS 95 HZ2 LYS 95 10.239 -5.108 -5.913 13 HZ3 LYS 95 HZ3 LYS 95 11.067 -4.907 -7.377 No H/Q in entry = 13 In of MODEL 18 1 H TRP 96 H TRP 96 7.168 -4.129 -3.931 2 HA TRP 96 HA TRP 96 6.121 -1.961 -5.433 3 HB2 TRP 96 HB2 TRP 96 6.876 -1.571 -3.169 4 HB3 TRP 96 HB3 TRP 96 8.510 -2.117 -3.555 5 HD1 TRP 96 HD1 TRP 96 6.153 0.679 -4.942 6 HE1 TRP 96 HE1 TRP 96 7.577 2.808 -5.234 7 HE3 TRP 96 HE3 TRP 96 10.686 -1.121 -3.384 8 HZ2 TRP 96 HZ2 TRP 96 10.233 3.615 -4.862 9 HZ3 TRP 96 HZ3 TRP 96 12.615 0.396 -3.368 10 HH2 TRP 96 HH2 TRP 96 12.388 2.740 -4.094 No H/Q in entry = 10 In of MODEL 18 1 H ASP 97 H ASP 97 6.619 -1.329 -7.380 2 HA ASP 97 HA ASP 97 9.168 -2.184 -8.532 3 HB2 ASP 97 HB2 ASP 97 8.125 -1.866 -10.705 4 HB3 ASP 97 HB3 ASP 97 7.100 -2.887 -9.701 No H/Q in entry = 4 In of MODEL 18 1 H ARG 98 H ARG 98 10.728 -0.760 -8.747 2 HA ARG 98 HA ARG 98 10.033 2.067 -9.104 3 HB2 ARG 98 HB2 ARG 98 12.629 2.311 -8.898 4 HB3 ARG 98 HB3 ARG 98 11.688 1.986 -7.465 5 HG2 ARG 98 HG2 ARG 98 12.801 0.106 -7.042 6 HG3 ARG 98 HG3 ARG 98 12.509 -0.498 -8.667 7 HD2 ARG 98 HD2 ARG 98 14.484 0.911 -9.407 8 HD3 ARG 98 HD3 ARG 98 14.857 1.182 -7.704 9 HE ARG 98 HE ARG 98 14.988 -1.308 -7.529 10 HH11 ARG 98 HH11 ARG 98 15.509 0.316 -10.587 11 HH12 ARG 98 HH12 ARG 98 16.746 -0.798 -11.111 12 HH21 ARG 98 HH21 ARG 98 16.598 -2.798 -8.228 13 HH22 ARG 98 HH22 ARG 98 17.344 -2.571 -9.781 No H/Q in entry = 13 In of MODEL 18 1 H ASP 99 H ASP 99 11.612 -0.658 -10.617 2 HA ASP 99 HA ASP 99 11.429 0.737 -13.204 3 HB2 ASP 99 HB2 ASP 99 13.666 -1.072 -12.255 4 HB3 ASP 99 HB3 ASP 99 13.470 -0.530 -13.917 No H/Q in entry = 4 In of MODEL 18 1 H MET 100 H MET 100 10.524 -1.779 -11.282 2 HA MET 100 HA MET 100 10.629 -3.859 -13.326 3 HB2 MET 100 HB2 MET 100 9.830 -4.123 -10.427 4 HB3 MET 100 HB3 MET 100 10.335 -5.403 -11.525 5 HG2 MET 100 HG2 MET 100 12.561 -4.737 -11.479 6 HG3 MET 100 HG3 MET 100 12.162 -3.139 -10.847 7 HE1 MET 100 HE1 MET 100 14.499 -4.945 -9.679 8 HE2 MET 100 HE2 MET 100 14.089 -3.354 -9.036 9 HE3 MET 100 HE3 MET 100 14.252 -4.732 -7.947 No H/Q in entry = 9 In of MODEL 19 1 HA ILE 2 HA ILE 2 -21.762 -8.622 -4.170 2 HB ILE 2 HB ILE 2 -23.268 -6.621 -4.456 3 HG12 ILE 2 HG12 ILE 2 -25.371 -6.920 -2.826 4 HG13 ILE 2 HG13 ILE 2 -24.115 -7.461 -1.719 5 HG21 ILE 2 HG21 ILE 2 -24.568 -9.284 -3.922 6 HG22 ILE 2 HG22 ILE 2 -25.293 -7.964 -4.840 7 HG23 ILE 2 HG23 ILE 2 -23.830 -8.750 -5.433 8 HD11 ILE 2 HD11 ILE 2 -22.944 -5.329 -2.037 9 HD12 ILE 2 HD12 ILE 2 -24.242 -4.790 -3.101 10 HD13 ILE 2 HD13 ILE 2 -24.574 -5.114 -1.400 No H/Q in entry = 10 In of MODEL 19 1 H GLN 3 H GLN 3 -20.292 -7.018 -4.645 2 HA GLN 3 HA GLN 3 -19.604 -4.879 -2.935 3 HB2 GLN 3 HB2 GLN 3 -18.943 -7.148 -1.689 4 HB3 GLN 3 HB3 GLN 3 -17.554 -7.051 -2.753 5 HG2 GLN 3 HG2 GLN 3 -16.892 -6.074 -0.717 6 HG3 GLN 3 HG3 GLN 3 -17.162 -4.733 -1.839 7 HE21 GLN 3 HE21 GLN 3 -19.018 -3.432 -1.580 8 HE22 GLN 3 HE22 GLN 3 -19.875 -3.385 -0.075 No H/Q in entry = 8 In of MODEL 19 1 H ARG 4 H ARG 4 -17.209 -4.183 -3.491 2 HA ARG 4 HA ARG 4 -16.563 -4.946 -6.260 3 HB2 ARG 4 HB2 ARG 4 -17.349 -2.726 -6.482 4 HB3 ARG 4 HB3 ARG 4 -16.567 -2.213 -4.993 5 HG2 ARG 4 HG2 ARG 4 -14.505 -1.970 -5.968 6 HG3 ARG 4 HG3 ARG 4 -14.837 -3.170 -7.224 7 HD2 ARG 4 HD2 ARG 4 -14.693 -0.794 -8.030 8 HD3 ARG 4 HD3 ARG 4 -16.183 -1.638 -8.451 9 HE ARG 4 HE ARG 4 -17.167 -0.413 -6.476 10 HH11 ARG 4 HH11 ARG 4 -14.410 0.872 -8.220 11 HH12 ARG 4 HH12 ARG 4 -14.854 2.527 -7.939 12 HH21 ARG 4 HH21 ARG 4 -17.764 1.761 -6.125 13 HH22 ARG 4 HH22 ARG 4 -16.762 3.036 -6.749 No H/Q in entry = 13 In of MODEL 19 1 H THR 5 H THR 5 -14.394 -5.314 -6.703 2 HA THR 5 HA THR 5 -12.912 -6.112 -4.404 3 HB THR 5 HB THR 5 -11.296 -7.109 -5.875 4 HG1 THR 5 HG1 THR 5 -11.569 -4.983 -7.311 5 HG21 THR 5 HG21 THR 5 -14.121 -7.258 -6.885 6 HG22 THR 5 HG22 THR 5 -12.826 -8.092 -7.747 7 HG23 THR 5 HG23 THR 5 -13.150 -8.478 -6.065 No H/Q in entry = 7 In of MODEL 19 1 HA PRO 6 HA PRO 6 -10.593 -2.255 -4.148 2 HB2 PRO 6 HB2 PRO 6 -9.019 -3.544 -2.074 3 HB3 PRO 6 HB3 PRO 6 -10.125 -2.179 -1.929 4 HG2 PRO 6 HG2 PRO 6 -10.601 -4.678 -0.886 5 HG3 PRO 6 HG3 PRO 6 -11.874 -3.499 -1.286 6 HD2 PRO 6 HD2 PRO 6 -10.985 -5.928 -2.766 7 HD3 PRO 6 HD3 PRO 6 -12.595 -5.192 -2.662 No H/Q in entry = 7 In of MODEL 19 1 H LYS 7 H LYS 7 -8.927 -1.865 -5.490 2 HA LYS 7 HA LYS 7 -7.234 -4.135 -6.247 3 HB2 LYS 7 HB2 LYS 7 -8.589 -2.935 -8.001 4 HB3 LYS 7 HB3 LYS 7 -7.605 -1.508 -7.706 5 HG2 LYS 7 HG2 LYS 7 -5.631 -2.640 -8.464 6 HG3 LYS 7 HG3 LYS 7 -6.509 -4.165 -8.600 7 HD2 LYS 7 HD2 LYS 7 -7.959 -3.130 -10.315 8 HD3 LYS 7 HD3 LYS 7 -6.985 -1.661 -10.214 9 HE2 LYS 7 HE2 LYS 7 -5.025 -2.862 -10.953 10 HE3 LYS 7 HE3 LYS 7 -5.917 -4.383 -10.947 11 HZ1 LYS 7 HZ1 LYS 7 -7.363 -3.480 -12.676 12 HZ2 LYS 7 HZ2 LYS 7 -6.455 -2.046 -12.700 13 HZ3 LYS 7 HZ3 LYS 7 -5.741 -3.512 -13.174 No H/Q in entry = 13 In of MODEL 19 1 H ILE 8 H ILE 8 -4.955 -3.747 -6.630 2 HA ILE 8 HA ILE 8 -3.914 -2.130 -4.435 3 HB ILE 8 HB ILE 8 -2.105 -3.850 -6.042 4 HG12 ILE 8 HG12 ILE 8 -4.113 -5.251 -5.857 5 HG13 ILE 8 HG13 ILE 8 -2.803 -5.884 -4.874 6 HG21 ILE 8 HG21 ILE 8 -1.289 -2.584 -4.126 7 HG22 ILE 8 HG22 ILE 8 -2.449 -3.402 -3.079 8 HG23 ILE 8 HG23 ILE 8 -1.150 -4.318 -3.843 9 HD11 ILE 8 HD11 ILE 8 -5.113 -4.260 -3.848 10 HD12 ILE 8 HD12 ILE 8 -4.960 -6.020 -3.760 11 HD13 ILE 8 HD13 ILE 8 -3.826 -4.991 -2.884 No H/Q in entry = 11 In of MODEL 19 1 H GLN 9 H GLN 9 -2.743 -0.374 -4.708 2 HA GLN 9 HA GLN 9 -1.156 -0.079 -7.136 3 HB2 GLN 9 HB2 GLN 9 -2.296 2.525 -6.309 4 HB3 GLN 9 HB3 GLN 9 -2.220 1.882 -7.952 5 HG2 GLN 9 HG2 GLN 9 -4.176 0.542 -7.583 6 HG3 GLN 9 HG3 GLN 9 -4.300 1.093 -5.919 7 HE21 GLN 9 HE21 GLN 9 -4.741 1.892 -9.249 8 HE22 GLN 9 HE22 GLN 9 -5.615 3.365 -9.000 No H/Q in entry = 8 In of MODEL 19 1 H VAL 10 H VAL 10 0.844 0.282 -6.464 2 HA VAL 10 HA VAL 10 1.342 1.706 -3.961 3 HB VAL 10 HB VAL 10 1.517 -0.460 -3.101 4 HG11 VAL 10 HG11 VAL 10 1.277 -1.616 -5.271 5 HG12 VAL 10 HG12 VAL 10 3.006 -1.387 -5.545 6 HG13 VAL 10 HG13 VAL 10 2.448 -2.371 -4.187 7 HG21 VAL 10 HG21 VAL 10 4.286 0.257 -4.053 8 HG22 VAL 10 HG22 VAL 10 3.526 0.716 -2.526 9 HG23 VAL 10 HG23 VAL 10 3.934 -0.973 -2.839 No H/Q in entry = 9 In of MODEL 19 1 H TYR 11 H TYR 11 2.983 3.069 -4.018 2 HA TYR 11 HA TYR 11 5.189 2.817 -5.812 3 HB2 TYR 11 HB2 TYR 11 4.789 4.874 -7.101 4 HB3 TYR 11 HB3 TYR 11 3.529 3.690 -7.399 5 HD1 TYR 11 HD1 TYR 11 4.311 6.952 -5.933 6 HD2 TYR 11 HD2 TYR 11 1.240 4.098 -6.665 7 HE1 TYR 11 HE1 TYR 11 2.613 8.658 -5.428 8 HE2 TYR 11 HE2 TYR 11 -0.464 5.794 -6.162 9 HH TYR 11 HH TYR 11 0.229 9.105 -5.942 No H/Q in entry = 9 In of MODEL 19 1 H SER 12 H SER 12 6.585 4.896 -5.593 2 HA SER 12 HA SER 12 6.709 5.427 -2.741 3 HB2 SER 12 HB2 SER 12 8.761 4.790 -4.001 4 HB3 SER 12 HB3 SER 12 8.609 6.271 -4.940 5 HG SER 12 HG SER 12 9.910 6.041 -2.743 No H/Q in entry = 5 In of MODEL 19 1 H ARG 13 H ARG 13 6.417 7.366 -1.800 2 HA ARG 13 HA ARG 13 4.624 9.152 -3.085 3 HB2 ARG 13 HB2 ARG 13 5.018 8.549 -0.561 4 HB3 ARG 13 HB3 ARG 13 6.177 9.858 -0.602 5 HG2 ARG 13 HG2 ARG 13 3.183 10.001 -1.024 6 HG3 ARG 13 HG3 ARG 13 4.114 10.689 0.294 7 HD2 ARG 13 HD2 ARG 13 4.506 12.588 -0.857 8 HD3 ARG 13 HD3 ARG 13 4.955 11.680 -2.309 9 HE ARG 13 HE ARG 13 2.118 11.775 -1.753 10 HH11 ARG 13 HH11 ARG 13 4.839 13.232 -3.393 11 HH12 ARG 13 HH12 ARG 13 3.867 14.161 -4.493 12 HH21 ARG 13 HH21 ARG 13 0.807 13.007 -3.192 13 HH22 ARG 13 HH22 ARG 13 1.570 14.040 -4.367 No H/Q in entry = 13 In of MODEL 19 1 H HIS 14 H HIS 14 8.079 9.386 -2.317 2 HA HIS 14 HA HIS 14 8.237 11.614 -4.222 3 HB2 HIS 14 HB2 HIS 14 9.407 11.279 -1.517 4 HB3 HIS 14 HB3 HIS 14 10.491 11.950 -2.731 5 HD2 HIS 14 HD2 HIS 14 6.857 13.057 -3.164 6 HE1 HIS 14 HE1 HIS 14 8.923 16.157 -1.164 7 HE2 HIS 14 HE2 HIS 14 6.704 15.446 -2.161 No H/Q in entry = 7 In of MODEL 19 1 HA PRO 15 HA PRO 15 11.436 9.535 -6.608 2 HB2 PRO 15 HB2 PRO 15 13.902 10.601 -5.769 3 HB3 PRO 15 HB3 PRO 15 12.913 11.168 -7.128 4 HG2 PRO 15 HG2 PRO 15 13.123 12.274 -4.339 5 HG3 PRO 15 HG3 PRO 15 12.825 13.122 -5.893 6 HD2 PRO 15 HD2 PRO 15 10.845 12.670 -4.110 7 HD3 PRO 15 HD3 PRO 15 10.554 12.623 -5.874 No H/Q in entry = 7 In of MODEL 19 1 H ALA 16 H ALA 16 12.296 7.568 -6.386 2 HA ALA 16 HA ALA 16 12.795 6.512 -3.751 3 HB1 ALA 16 HB1 ALA 16 11.543 5.194 -5.392 4 HB2 ALA 16 HB2 ALA 16 12.956 5.161 -6.448 5 HB3 ALA 16 HB3 ALA 16 13.007 4.356 -4.879 No H/Q in entry = 5 In of MODEL 19 1 H GLU 17 H GLU 17 14.754 6.790 -2.833 2 HA GLU 17 HA GLU 17 17.111 6.681 -4.580 3 HB2 GLU 17 HB2 GLU 17 16.549 8.875 -3.387 4 HB3 GLU 17 HB3 GLU 17 17.005 8.050 -1.898 5 HG2 GLU 17 HG2 GLU 17 18.928 9.212 -2.590 6 HG3 GLU 17 HG3 GLU 17 19.204 7.529 -3.034 No H/Q in entry = 6 In of MODEL 19 1 H ASN 18 H ASN 18 18.453 5.052 -4.244 2 HA ASN 18 HA ASN 18 18.058 3.252 -2.017 3 HB2 ASN 18 HB2 ASN 18 18.522 2.024 -3.910 4 HB3 ASN 18 HB3 ASN 18 19.672 3.204 -4.537 5 HD21 ASN 18 HD21 ASN 18 21.199 1.650 -4.990 6 HD22 ASN 18 HD22 ASN 18 22.101 0.831 -3.761 No H/Q in entry = 6 In of MODEL 19 1 H GLY 19 H GLY 19 19.144 3.171 -0.208 2 HA2 GLY 19 HA2 GLY 19 21.769 4.386 0.085 3 HA3 GLY 19 HA3 GLY 19 20.856 3.521 1.334 No H/Q in entry = 3 In of MODEL 19 1 H LYS 20 H LYS 20 18.463 5.106 0.659 2 HA LYS 20 HA LYS 20 19.070 7.518 2.187 3 HB2 LYS 20 HB2 LYS 20 19.343 7.903 -0.326 4 HB3 LYS 20 HB3 LYS 20 17.616 7.628 -0.450 5 HG2 LYS 20 HG2 LYS 20 17.897 9.951 -0.404 6 HG3 LYS 20 HG3 LYS 20 17.301 9.507 1.195 7 HD2 LYS 20 HD2 LYS 20 19.599 9.599 2.064 8 HD3 LYS 20 HD3 LYS 20 20.177 10.062 0.463 9 HE2 LYS 20 HE2 LYS 20 18.234 11.634 2.164 10 HE3 LYS 20 HE3 LYS 20 19.941 12.010 1.936 11 HZ1 LYS 20 HZ1 LYS 20 17.879 11.973 -0.212 12 HZ2 LYS 20 HZ2 LYS 20 18.534 13.361 0.509 13 HZ3 LYS 20 HZ3 LYS 20 19.522 12.343 -0.423 No H/Q in entry = 13 In of MODEL 19 1 H SER 21 H SER 21 17.246 8.376 3.202 2 HA SER 21 HA SER 21 15.149 6.550 3.724 3 HB2 SER 21 HB2 SER 21 15.451 9.480 4.366 4 HB3 SER 21 HB3 SER 21 14.206 8.429 5.041 5 HG SER 21 HG SER 21 16.788 7.479 5.282 No H/Q in entry = 5 In of MODEL 19 1 H ASN 22 H ASN 22 13.121 6.479 2.968 2 HA ASN 22 HA ASN 22 12.267 8.399 0.916 3 HB2 ASN 22 HB2 ASN 22 13.491 6.247 -0.023 4 HB3 ASN 22 HB3 ASN 22 12.039 5.407 0.496 5 HD21 ASN 22 HD21 ASN 22 11.838 8.675 -0.754 6 HD22 ASN 22 HD22 ASN 22 11.104 8.233 -2.254 No H/Q in entry = 6 In of MODEL 19 1 H PHE 23 H PHE 23 9.854 7.894 0.369 2 HA PHE 23 HA PHE 23 8.528 6.894 2.806 3 HB2 PHE 23 HB2 PHE 23 7.785 9.288 1.114 4 HB3 PHE 23 HB3 PHE 23 6.727 8.588 2.328 5 HD1 PHE 23 HD1 PHE 23 6.601 9.768 4.262 6 HD2 PHE 23 HD2 PHE 23 10.299 9.700 2.159 7 HE1 PHE 23 HE1 PHE 23 7.597 11.237 5.968 8 HE2 PHE 23 HE2 PHE 23 11.303 11.155 3.867 9 HZ PHE 23 HZ PHE 23 9.952 11.915 5.778 No H/Q in entry = 9 In of MODEL 19 1 H LEU 24 H LEU 24 7.175 5.246 2.433 2 HA LEU 24 HA LEU 24 6.604 4.470 -0.312 3 HB2 LEU 24 HB2 LEU 24 7.023 3.112 2.070 4 HB3 LEU 24 HB3 LEU 24 5.311 2.907 1.774 5 HG LEU 24 HG LEU 24 7.596 2.033 -0.022 6 HD11 LEU 24 HD11 LEU 24 5.483 0.496 1.489 7 HD12 LEU 24 HD12 LEU 24 6.689 -0.207 0.411 8 HD13 LEU 24 HD13 LEU 24 7.195 0.592 1.899 9 HD21 LEU 24 HD21 LEU 24 4.621 1.913 -0.526 10 HD22 LEU 24 HD22 LEU 24 5.827 2.792 -1.469 11 HD23 LEU 24 HD23 LEU 24 5.838 1.030 -1.449 No H/Q in entry = 11 In of MODEL 19 1 H ASN 25 H ASN 25 4.472 4.011 -1.024 2 HA ASN 25 HA ASN 25 2.303 5.086 0.582 3 HB2 ASN 25 HB2 ASN 25 2.912 7.011 -0.714 4 HB3 ASN 25 HB3 ASN 25 3.021 6.062 -2.192 5 HD21 ASN 25 HD21 ASN 25 1.603 7.501 -3.188 6 HD22 ASN 25 HD22 ASN 25 -0.093 7.464 -2.876 No H/Q in entry = 6 In of MODEL 19 1 H CYS 26 H CYS 26 0.617 3.772 0.541 2 HA CYS 26 HA CYS 26 0.286 1.933 -1.728 3 HB2 CYS 26 HB2 CYS 26 1.327 0.960 0.456 4 HB3 CYS 26 HB3 CYS 26 -0.320 1.074 1.080 No H/Q in entry = 4 In of MODEL 19 1 H TYR 27 H TYR 27 -1.660 2.099 -2.592 2 HA TYR 27 HA TYR 27 -3.782 3.424 -1.031 3 HB2 TYR 27 HB2 TYR 27 -2.720 3.967 -3.741 4 HB3 TYR 27 HB3 TYR 27 -4.470 3.962 -3.607 5 HD1 TYR 27 HD1 TYR 27 -5.577 5.613 -2.049 6 HD2 TYR 27 HD2 TYR 27 -1.428 5.806 -2.961 7 HE1 TYR 27 HE1 TYR 27 -5.545 7.961 -1.353 8 HE2 TYR 27 HE2 TYR 27 -1.385 8.154 -2.243 9 HH TYR 27 HH TYR 27 -3.886 9.601 -0.496 No H/Q in entry = 9 In of MODEL 19 1 H VAL 28 H VAL 28 -5.164 1.834 -0.519 2 HA VAL 28 HA VAL 28 -6.048 0.065 -2.711 3 HB VAL 28 HB VAL 28 -6.590 -0.607 0.153 4 HG11 VAL 28 HG11 VAL 28 -6.083 -2.235 -2.324 5 HG12 VAL 28 HG12 VAL 28 -6.476 -2.889 -0.732 6 HG13 VAL 28 HG13 VAL 28 -7.653 -1.896 -1.593 7 HG21 VAL 28 HG21 VAL 28 -3.969 -1.080 -1.259 8 HG22 VAL 28 HG22 VAL 28 -4.233 -0.226 0.264 9 HG23 VAL 28 HG23 VAL 28 -4.490 -1.973 0.175 No H/Q in entry = 9 In of MODEL 19 1 H SER 29 H SER 29 -7.807 1.086 -3.515 2 HA SER 29 HA SER 29 -9.925 1.836 -1.623 3 HB2 SER 29 HB2 SER 29 -8.986 3.637 -3.860 4 HB3 SER 29 HB3 SER 29 -10.224 3.992 -2.652 5 HG SER 29 HG SER 29 -7.850 3.245 -1.536 No H/Q in entry = 5 In of MODEL 19 1 H GLY 30 H GLY 30 -11.891 2.702 -3.001 2 HA2 GLY 30 HA2 GLY 30 -12.216 1.300 -5.529 3 HA3 GLY 30 HA3 GLY 30 -13.320 2.480 -4.839 No H/Q in entry = 3 In of MODEL 19 1 H PHE 31 H PHE 31 -13.329 1.103 -2.225 2 HA PHE 31 HA PHE 31 -14.938 -1.247 -2.969 3 HB2 PHE 31 HB2 PHE 31 -13.941 -2.472 -1.085 4 HB3 PHE 31 HB3 PHE 31 -12.683 -1.929 -2.215 5 HD1 PHE 31 HD1 PHE 31 -14.165 -1.425 1.105 6 HD2 PHE 31 HD2 PHE 31 -11.091 -0.240 -1.586 7 HE1 PHE 31 HE1 PHE 31 -13.013 -0.264 2.936 8 HE2 PHE 31 HE2 PHE 31 -9.941 0.933 0.243 9 HZ PHE 31 HZ PHE 31 -10.911 0.928 2.505 No H/Q in entry = 9 In of MODEL 19 1 H HIS 32 H HIS 32 -15.929 -2.129 -0.777 2 HA HIS 32 HA HIS 32 -16.716 -0.045 1.104 3 HB2 HIS 32 HB2 HIS 32 -18.860 -1.708 -0.313 4 HB3 HIS 32 HB3 HIS 32 -19.118 -0.641 1.054 5 HD2 HIS 32 HD2 HIS 32 -18.611 2.149 0.454 6 HE1 HIS 32 HE1 HIS 32 -19.458 1.537 -3.644 7 HE2 HIS 32 HE2 HIS 32 -19.352 3.246 -1.776 No H/Q in entry = 7 In of MODEL 19 1 HA PRO 33 HA PRO 33 -19.041 -0.710 2.818 2 HB2 PRO 33 HB2 PRO 33 -17.840 -0.803 5.515 3 HB3 PRO 33 HB3 PRO 33 -19.525 -0.994 5.023 4 HG2 PRO 33 HG2 PRO 33 -18.075 -3.080 5.846 5 HG3 PRO 33 HG3 PRO 33 -19.267 -3.240 4.542 6 HD2 PRO 33 HD2 PRO 33 -16.284 -3.016 4.370 7 HD3 PRO 33 HD3 PRO 33 -17.389 -4.055 3.445 No H/Q in entry = 7 In of MODEL 19 1 H SER 34 H SER 34 -16.150 -0.175 4.958 2 HA SER 34 HA SER 34 -15.369 2.074 3.335 3 HB2 SER 34 HB2 SER 34 -15.427 3.572 5.353 4 HB3 SER 34 HB3 SER 34 -17.028 3.092 4.793 5 HG SER 34 HG SER 34 -15.789 1.513 6.758 No H/Q in entry = 5 In of MODEL 19 1 H ASP 35 H ASP 35 -14.500 -0.666 4.490 2 HA ASP 35 HA ASP 35 -12.049 0.195 5.854 3 HB2 ASP 35 HB2 ASP 35 -13.863 -2.020 6.848 4 HB3 ASP 35 HB3 ASP 35 -12.344 -1.514 7.575 No H/Q in entry = 4 In of MODEL 19 1 H ILE 36 H ILE 36 -10.299 -0.890 5.212 2 HA ILE 36 HA ILE 36 -10.462 -3.724 4.525 3 HB ILE 36 HB ILE 36 -10.509 -2.344 2.341 4 HG12 ILE 36 HG12 ILE 36 -8.563 -4.503 3.041 5 HG13 ILE 36 HG13 ILE 36 -9.968 -4.568 1.985 6 HG21 ILE 36 HG21 ILE 36 -7.652 -1.862 3.179 7 HG22 ILE 36 HG22 ILE 36 -8.327 -1.492 1.588 8 HG23 ILE 36 HG23 ILE 36 -8.901 -0.627 3.013 9 HD11 ILE 36 HD11 ILE 36 -7.347 -3.231 1.335 10 HD12 ILE 36 HD12 ILE 36 -7.876 -4.808 0.748 11 HD13 ILE 36 HD13 ILE 36 -8.743 -3.350 0.262 No H/Q in entry = 11 In of MODEL 19 1 H GLU 37 H GLU 37 -8.375 -4.802 4.870 2 HA GLU 37 HA GLU 37 -6.471 -3.083 6.270 3 HB2 GLU 37 HB2 GLU 37 -6.673 -6.096 6.244 4 HB3 GLU 37 HB3 GLU 37 -5.356 -5.169 6.952 5 HG2 GLU 37 HG2 GLU 37 -6.843 -5.936 8.628 6 HG3 GLU 37 HG3 GLU 37 -6.837 -4.172 8.519 No H/Q in entry = 6 In of MODEL 19 1 H VAL 38 H VAL 38 -4.421 -3.024 5.685 2 HA VAL 38 HA VAL 38 -3.466 -4.662 3.526 3 HB VAL 38 HB VAL 38 -3.894 -3.241 1.867 4 HG11 VAL 38 HG11 VAL 38 -4.344 -1.106 3.922 5 HG12 VAL 38 HG12 VAL 38 -4.602 -0.893 2.189 6 HG13 VAL 38 HG13 VAL 38 -5.555 -2.080 3.085 7 HG21 VAL 38 HG21 VAL 38 -1.790 -1.535 3.194 8 HG22 VAL 38 HG22 VAL 38 -1.527 -2.799 1.996 9 HG23 VAL 38 HG23 VAL 38 -2.362 -1.311 1.538 No H/Q in entry = 9 In of MODEL 19 1 H ASP 39 H ASP 39 -1.434 -5.109 3.771 2 HA ASP 39 HA ASP 39 0.064 -3.658 5.848 3 HB2 ASP 39 HB2 ASP 39 -0.056 -5.515 7.111 4 HB3 ASP 39 HB3 ASP 39 -0.827 -6.408 5.812 No H/Q in entry = 4 In of MODEL 19 1 H LEU 40 H LEU 40 2.255 -3.437 5.532 2 HA LEU 40 HA LEU 40 3.043 -3.745 2.737 3 HB2 LEU 40 HB2 LEU 40 4.497 -2.172 4.852 4 HB3 LEU 40 HB3 LEU 40 4.677 -2.061 3.112 5 HG LEU 40 HG LEU 40 2.265 -1.174 4.695 6 HD11 LEU 40 HD11 LEU 40 4.402 0.394 3.262 7 HD12 LEU 40 HD12 LEU 40 2.962 1.076 4.019 8 HD13 LEU 40 HD13 LEU 40 4.185 0.279 5.010 9 HD21 LEU 40 HD21 LEU 40 2.840 -1.077 1.743 10 HD22 LEU 40 HD22 LEU 40 1.515 -1.916 2.554 11 HD23 LEU 40 HD23 LEU 40 1.566 -0.150 2.537 No H/Q in entry = 11 In of MODEL 19 1 H LEU 41 H LEU 41 4.871 -4.776 2.125 2 HA LEU 41 HA LEU 41 6.002 -6.589 4.148 3 HB2 LEU 41 HB2 LEU 41 5.897 -7.270 1.255 4 HB3 LEU 41 HB3 LEU 41 6.010 -8.321 2.635 5 HG LEU 41 HG LEU 41 3.520 -6.786 1.927 6 HD11 LEU 41 HD11 LEU 41 4.146 -8.426 0.193 7 HD12 LEU 41 HD12 LEU 41 4.198 -9.680 1.427 8 HD13 LEU 41 HD13 LEU 41 2.669 -8.888 1.041 9 HD21 LEU 41 HD21 LEU 41 3.758 -7.392 4.291 10 HD22 LEU 41 HD22 LEU 41 2.465 -8.303 3.509 11 HD23 LEU 41 HD23 LEU 41 4.020 -9.073 3.827 No H/Q in entry = 11 In of MODEL 19 1 H LYS 42 H LYS 42 7.878 -7.759 3.036 2 HA LYS 42 HA LYS 42 9.744 -6.085 1.597 3 HB2 LYS 42 HB2 LYS 42 10.328 -7.057 4.391 4 HB3 LYS 42 HB3 LYS 42 11.590 -6.622 3.252 5 HG2 LYS 42 HG2 LYS 42 11.019 -4.376 3.294 6 HG3 LYS 42 HG3 LYS 42 9.411 -4.692 3.966 7 HD2 LYS 42 HD2 LYS 42 10.461 -5.443 6.066 8 HD3 LYS 42 HD3 LYS 42 12.057 -5.150 5.370 9 HE2 LYS 42 HE2 LYS 42 11.538 -2.767 5.201 10 HE3 LYS 42 HE3 LYS 42 9.938 -3.065 5.883 11 HZ1 LYS 42 HZ1 LYS 42 11.037 -3.910 7.896 12 HZ2 LYS 42 HZ2 LYS 42 12.545 -3.496 7.241 13 HZ3 LYS 42 HZ3 LYS 42 11.414 -2.286 7.593 No H/Q in entry = 13 In of MODEL 19 1 H ASN 43 H ASN 43 9.917 -7.527 -0.039 2 HA ASN 43 HA ASN 43 10.436 -9.404 -1.206 3 HB2 ASN 43 HB2 ASN 43 11.685 -10.353 1.391 4 HB3 ASN 43 HB3 ASN 43 11.882 -11.159 -0.159 5 HD21 ASN 43 HD21 ASN 43 12.863 -8.571 1.870 6 HD22 ASN 43 HD22 ASN 43 14.115 -7.952 0.851 No H/Q in entry = 6 In of MODEL 19 1 H GLY 44 H GLY 44 8.536 -9.456 1.537 2 HA2 GLY 44 HA2 GLY 44 7.596 -12.199 1.176 3 HA3 GLY 44 HA3 GLY 44 6.433 -10.888 0.927 No H/Q in entry = 3 In of MODEL 19 1 H GLU 45 H GLU 45 8.728 -10.030 3.215 2 HA GLU 45 HA GLU 45 7.399 -11.281 5.483 3 HB2 GLU 45 HB2 GLU 45 9.833 -9.516 5.378 4 HB3 GLU 45 HB3 GLU 45 9.316 -10.487 6.746 5 HG2 GLU 45 HG2 GLU 45 9.768 -12.505 5.522 6 HG3 GLU 45 HG3 GLU 45 10.126 -11.573 4.072 No H/Q in entry = 6 In of MODEL 19 1 H ARG 46 H ARG 46 6.226 -10.195 6.984 2 HA ARG 46 HA ARG 46 4.956 -7.802 6.209 3 HB2 ARG 46 HB2 ARG 46 3.896 -9.573 7.542 4 HB3 ARG 46 HB3 ARG 46 4.987 -9.217 8.878 5 HG2 ARG 46 HG2 ARG 46 3.979 -7.072 9.216 6 HG3 ARG 46 HG3 ARG 46 3.035 -7.224 7.739 7 HD2 ARG 46 HD2 ARG 46 1.621 -8.864 8.676 8 HD3 ARG 46 HD3 ARG 46 2.730 -9.156 10.023 9 HE ARG 46 HE ARG 46 1.691 -6.475 9.908 10 HH11 ARG 46 HH11 ARG 46 1.168 -9.732 11.041 11 HH12 ARG 46 HH12 ARG 46 0.120 -9.266 12.347 12 HH21 ARG 46 HH21 ARG 46 0.307 -5.816 11.621 13 HH22 ARG 46 HH22 ARG 46 -0.388 -7.026 12.663 No H/Q in entry = 13 In of MODEL 19 1 H ILE 47 H ILE 47 5.030 -5.731 6.977 2 HA ILE 47 HA ILE 47 7.339 -4.971 8.643 3 HB ILE 47 HB ILE 47 5.608 -3.237 6.866 4 HG12 ILE 47 HG12 ILE 47 8.466 -4.066 6.419 5 HG13 ILE 47 HG13 ILE 47 7.100 -4.909 5.686 6 HG21 ILE 47 HG21 ILE 47 6.550 -2.006 8.744 7 HG22 ILE 47 HG22 ILE 47 8.161 -2.599 8.342 8 HG23 ILE 47 HG23 ILE 47 7.317 -1.518 7.233 9 HD11 ILE 47 HD11 ILE 47 7.790 -2.007 5.296 10 HD12 ILE 47 HD12 ILE 47 8.102 -3.310 4.150 11 HD13 ILE 47 HD13 ILE 47 6.444 -2.863 4.548 No H/Q in entry = 11 In of MODEL 19 1 H GLU 48 H GLU 48 7.009 -3.808 10.525 2 HA GLU 48 HA GLU 48 4.248 -3.826 11.462 3 HB2 GLU 48 HB2 GLU 48 5.543 -3.469 13.746 4 HB3 GLU 48 HB3 GLU 48 5.330 -5.057 13.034 5 HG2 GLU 48 HG2 GLU 48 7.785 -3.393 12.629 6 HG3 GLU 48 HG3 GLU 48 7.612 -4.533 13.944 No H/Q in entry = 6 In of MODEL 19 1 H LYS 49 H LYS 49 7.075 -1.593 11.404 2 HA LYS 49 HA LYS 49 5.835 0.526 12.679 3 HB2 LYS 49 HB2 LYS 49 7.997 0.575 10.593 4 HB3 LYS 49 HB3 LYS 49 7.600 1.899 11.691 5 HG2 LYS 49 HG2 LYS 49 8.073 0.422 13.585 6 HG3 LYS 49 HG3 LYS 49 8.545 -0.827 12.469 7 HD2 LYS 49 HD2 LYS 49 9.877 1.854 12.487 8 HD3 LYS 49 HD3 LYS 49 10.403 0.535 13.528 9 HE2 LYS 49 HE2 LYS 49 11.780 0.460 11.605 10 HE3 LYS 49 HE3 LYS 49 10.634 -0.873 11.463 11 HZ1 LYS 49 HZ1 LYS 49 10.331 1.762 10.116 12 HZ2 LYS 49 HZ2 LYS 49 10.955 0.368 9.375 13 HZ3 LYS 49 HZ3 LYS 49 9.352 0.399 9.905 No H/Q in entry = 13 In of MODEL 19 1 H VAL 50 H VAL 50 4.722 -0.741 9.876 2 HA VAL 50 HA VAL 50 4.102 1.477 8.284 3 HB VAL 50 HB VAL 50 2.433 -0.998 8.749 4 HG11 VAL 50 HG11 VAL 50 1.214 0.902 7.700 5 HG12 VAL 50 HG12 VAL 50 2.412 0.901 6.403 6 HG13 VAL 50 HG13 VAL 50 1.373 -0.505 6.640 7 HG21 VAL 50 HG21 VAL 50 4.690 -1.532 8.026 8 HG22 VAL 50 HG22 VAL 50 3.533 -1.850 6.738 9 HG23 VAL 50 HG23 VAL 50 4.539 -0.407 6.676 No H/Q in entry = 9 In of MODEL 19 1 H GLU 51 H GLU 51 2.582 3.042 8.394 2 HA GLU 51 HA GLU 51 0.525 2.812 10.472 3 HB2 GLU 51 HB2 GLU 51 2.173 5.277 9.881 4 HB3 GLU 51 HB3 GLU 51 0.752 5.245 10.919 5 HG2 GLU 51 HG2 GLU 51 1.883 3.697 12.425 6 HG3 GLU 51 HG3 GLU 51 3.304 3.725 11.382 No H/Q in entry = 6 In of MODEL 19 1 H HIS 52 H HIS 52 -1.401 3.697 10.017 2 HA HIS 52 HA HIS 52 -1.789 4.714 7.290 3 HB2 HIS 52 HB2 HIS 52 -4.211 4.138 7.607 4 HB3 HIS 52 HB3 HIS 52 -3.122 2.764 7.548 5 HD2 HIS 52 HD2 HIS 52 -2.572 1.696 10.257 6 HE1 HIS 52 HE1 HIS 52 -6.397 2.961 11.540 7 HE2 HIS 52 HE2 HIS 52 -4.536 1.283 11.904 No H/Q in entry = 7 In of MODEL 19 1 H SER 53 H SER 53 -2.363 6.741 7.010 2 HA SER 53 HA SER 53 -2.620 8.480 9.298 3 HB2 SER 53 HB2 SER 53 -1.310 9.069 7.228 4 HB3 SER 53 HB3 SER 53 -2.839 9.192 6.359 5 HG SER 53 HG SER 53 -1.708 10.894 8.262 No H/Q in entry = 5 In of MODEL 19 1 H ASP 54 H ASP 54 -4.354 10.431 8.251 2 HA ASP 54 HA ASP 54 -6.816 9.625 9.257 3 HB2 ASP 54 HB2 ASP 54 -6.120 11.983 8.986 4 HB3 ASP 54 HB3 ASP 54 -6.305 11.823 7.243 No H/Q in entry = 4 In of MODEL 19 1 H LEU 55 H LEU 55 -8.526 8.631 8.483 2 HA LEU 55 HA LEU 55 -8.367 6.774 6.505 3 HB2 LEU 55 HB2 LEU 55 -10.140 7.119 8.343 4 HB3 LEU 55 HB3 LEU 55 -10.989 8.093 7.166 5 HG LEU 55 HG LEU 55 -11.821 5.750 7.398 6 HD11 LEU 55 HD11 LEU 55 -12.297 7.014 5.386 7 HD12 LEU 55 HD12 LEU 55 -10.773 6.482 4.674 8 HD13 LEU 55 HD13 LEU 55 -12.046 5.308 5.014 9 HD21 LEU 55 HD21 LEU 55 -9.153 5.078 6.183 10 HD22 LEU 55 HD22 LEU 55 -9.766 4.579 7.760 11 HD23 LEU 55 HD23 LEU 55 -10.521 3.967 6.286 No H/Q in entry = 11 In of MODEL 19 1 H SER 56 H SER 56 -10.637 9.456 6.023 2 HA SER 56 HA SER 56 -9.716 10.408 3.580 3 HB2 SER 56 HB2 SER 56 -10.113 8.041 2.834 4 HB3 SER 56 HB3 SER 56 -11.813 8.236 3.251 5 HG SER 56 HG SER 56 -12.124 9.363 1.491 No H/Q in entry = 5 In of MODEL 19 1 H PHE 57 H PHE 57 -11.837 11.164 2.245 2 HA PHE 57 HA PHE 57 -14.076 11.735 3.997 3 HB2 PHE 57 HB2 PHE 57 -14.077 14.130 3.508 4 HB3 PHE 57 HB3 PHE 57 -12.574 13.683 4.303 5 HD1 PHE 57 HD1 PHE 57 -10.491 13.433 2.891 6 HD2 PHE 57 HD2 PHE 57 -14.085 15.176 1.418 7 HE1 PHE 57 HE1 PHE 57 -9.226 14.501 1.072 8 HE2 PHE 57 HE2 PHE 57 -12.827 16.240 -0.405 9 HZ PHE 57 HZ PHE 57 -10.393 15.904 -0.579 No H/Q in entry = 9 In of MODEL 19 1 H SER 58 H SER 58 -15.939 11.551 2.896 2 HA SER 58 HA SER 58 -15.941 10.795 0.169 3 HB2 SER 58 HB2 SER 58 -18.509 11.236 0.514 4 HB3 SER 58 HB3 SER 58 -17.724 9.897 1.352 5 HG SER 58 HG SER 58 -18.177 10.818 3.179 No H/Q in entry = 5 In of MODEL 19 1 H LYS 59 H LYS 59 -16.599 11.932 -1.663 2 HA LYS 59 HA LYS 59 -17.060 14.787 -1.421 3 HB2 LYS 59 HB2 LYS 59 -14.517 14.302 -1.468 4 HB3 LYS 59 HB3 LYS 59 -14.773 13.937 -3.170 5 HG2 LYS 59 HG2 LYS 59 -14.045 16.227 -2.906 6 HG3 LYS 59 HG3 LYS 59 -15.709 16.187 -3.500 7 HD2 LYS 59 HD2 LYS 59 -16.498 16.509 -1.169 8 HD3 LYS 59 HD3 LYS 59 -14.821 16.666 -0.652 9 HE2 LYS 59 HE2 LYS 59 -15.925 18.846 -0.928 10 HE3 LYS 59 HE3 LYS 59 -14.555 18.657 -2.018 11 HZ1 LYS 59 HZ1 LYS 59 -17.319 18.053 -2.885 12 HZ2 LYS 59 HZ2 LYS 59 -16.684 19.625 -2.965 13 HZ3 LYS 59 HZ3 LYS 59 -15.953 18.373 -3.842 No H/Q in entry = 13 In of MODEL 19 1 H ASP 60 H ASP 60 -15.957 12.629 -4.124 2 HA ASP 60 HA ASP 60 -18.605 12.983 -5.325 3 HB2 ASP 60 HB2 ASP 60 -17.087 14.614 -6.397 4 HB3 ASP 60 HB3 ASP 60 -15.977 13.309 -6.801 No H/Q in entry = 4 In of MODEL 19 1 H TRP 61 H TRP 61 -15.552 11.243 -5.154 2 HA TRP 61 HA TRP 61 -16.783 8.924 -6.470 3 HB2 TRP 61 HB2 TRP 61 -13.958 9.843 -6.137 4 HB3 TRP 61 HB3 TRP 61 -14.279 8.124 -6.342 5 HD1 TRP 61 HD1 TRP 61 -14.471 11.447 -8.231 6 HE1 TRP 61 HE1 TRP 61 -14.746 10.941 -10.739 7 HE3 TRP 61 HE3 TRP 61 -15.143 6.392 -7.958 8 HZ2 TRP 61 HZ2 TRP 61 -15.192 8.690 -12.381 9 HZ3 TRP 61 HZ3 TRP 61 -15.488 5.124 -10.031 10 HH2 TRP 61 HH2 TRP 61 -15.513 6.268 -12.225 No H/Q in entry = 10 In of MODEL 19 1 H SER 62 H SER 62 -14.998 7.005 -5.485 2 HA SER 62 HA SER 62 -16.339 6.233 -3.100 3 HB2 SER 62 HB2 SER 62 -14.532 4.334 -3.204 4 HB3 SER 62 HB3 SER 62 -15.596 4.481 -4.621 5 HG SER 62 HG SER 62 -13.057 5.733 -4.418 No H/Q in entry = 5 In of MODEL 19 1 H PHE 63 H PHE 63 -14.955 5.370 -1.218 2 HA PHE 63 HA PHE 63 -13.419 7.585 -0.159 3 HB2 PHE 63 HB2 PHE 63 -13.945 4.916 1.166 4 HB3 PHE 63 HB3 PHE 63 -13.529 6.434 1.946 5 HD1 PHE 63 HD1 PHE 63 -16.208 4.699 0.058 6 HD2 PHE 63 HD2 PHE 63 -15.215 7.906 2.687 7 HE1 PHE 63 HE1 PHE 63 -18.605 5.106 0.464 8 HE2 PHE 63 HE2 PHE 63 -17.619 8.315 3.094 9 HZ PHE 63 HZ PHE 63 -19.303 6.914 1.978 No H/Q in entry = 9 In of MODEL 19 1 H TYR 64 H TYR 64 -11.333 7.164 0.927 2 HA TYR 64 HA TYR 64 -9.731 5.175 -0.544 3 HB2 TYR 64 HB2 TYR 64 -8.636 7.863 0.282 4 HB3 TYR 64 HB3 TYR 64 -8.024 6.765 -0.947 5 HD1 TYR 64 HD1 TYR 64 -9.597 9.794 -0.458 6 HD2 TYR 64 HD2 TYR 64 -9.864 6.340 -2.934 7 HE1 TYR 64 HE1 TYR 64 -10.781 11.113 -2.158 8 HE2 TYR 64 HE2 TYR 64 -11.058 7.659 -4.648 9 HH TYR 64 HH TYR 64 -12.482 9.759 -4.678 No H/Q in entry = 9 In of MODEL 19 1 H LEU 65 H LEU 65 -8.023 4.212 0.652 2 HA LEU 65 HA LEU 65 -7.506 5.262 3.322 3 HB2 LEU 65 HB2 LEU 65 -8.987 3.560 3.885 4 HB3 LEU 65 HB3 LEU 65 -8.376 2.471 2.658 5 HG LEU 65 HG LEU 65 -6.531 3.179 4.891 6 HD11 LEU 65 HD11 LEU 65 -8.806 2.811 5.891 7 HD12 LEU 65 HD12 LEU 65 -8.751 1.180 5.223 8 HD13 LEU 65 HD13 LEU 65 -7.560 1.686 6.418 9 HD21 LEU 65 HD21 LEU 65 -7.204 0.639 3.410 10 HD22 LEU 65 HD22 LEU 65 -5.826 1.694 3.090 11 HD23 LEU 65 HD23 LEU 65 -5.933 0.821 4.620 No H/Q in entry = 11 In of MODEL 19 1 H LEU 66 H LEU 66 -5.433 5.312 3.875 2 HA LEU 66 HA LEU 66 -3.536 4.417 1.810 3 HB2 LEU 66 HB2 LEU 66 -4.106 6.954 2.471 4 HB3 LEU 66 HB3 LEU 66 -2.887 6.632 3.663 5 HG LEU 66 HG LEU 66 -2.462 6.373 0.702 6 HD11 LEU 66 HD11 LEU 66 -1.629 8.546 2.618 7 HD12 LEU 66 HD12 LEU 66 -1.126 8.422 0.934 8 HD13 LEU 66 HD13 LEU 66 -2.823 8.691 1.330 9 HD21 LEU 66 HD21 LEU 66 -0.512 6.250 2.991 10 HD22 LEU 66 HD22 LEU 66 -0.999 4.905 1.963 11 HD23 LEU 66 HD23 LEU 66 -0.084 6.251 1.279 No H/Q in entry = 11 In of MODEL 19 1 H TYR 67 H TYR 67 -1.869 3.174 2.422 2 HA TYR 67 HA TYR 67 -1.116 3.079 5.271 3 HB2 TYR 67 HB2 TYR 67 -1.704 0.851 3.411 4 HB3 TYR 67 HB3 TYR 67 -0.316 0.658 4.472 5 HD1 TYR 67 HD1 TYR 67 -0.606 0.597 6.914 6 HD2 TYR 67 HD2 TYR 67 -3.955 0.739 4.285 7 HE1 TYR 67 HE1 TYR 67 -2.066 -0.193 8.732 8 HE2 TYR 67 HE2 TYR 67 -5.399 -0.066 6.087 9 HH TYR 67 HH TYR 67 -4.556 -0.020 9.290 No H/Q in entry = 9 In of MODEL 19 1 H TYR 68 H TYR 68 0.851 3.815 5.578 2 HA TYR 68 HA TYR 68 2.853 3.390 3.470 3 HB2 TYR 68 HB2 TYR 68 3.628 5.726 3.675 4 HB3 TYR 68 HB3 TYR 68 1.953 5.646 3.118 5 HD1 TYR 68 HD1 TYR 68 4.162 6.591 5.895 6 HD2 TYR 68 HD2 TYR 68 0.141 6.436 4.517 7 HE1 TYR 68 HE1 TYR 68 3.490 8.120 7.701 8 HE2 TYR 68 HE2 TYR 68 -0.542 7.969 6.312 9 HH TYR 68 HH TYR 68 1.555 9.803 8.075 No H/Q in entry = 9 In of MODEL 19 1 H THR 69 H THR 69 5.076 3.904 4.184 2 HA THR 69 HA THR 69 5.582 4.032 7.022 3 HB THR 69 HB THR 69 5.189 1.575 6.656 4 HG1 THR 69 HG1 THR 69 6.968 2.682 8.081 5 HG21 THR 69 HG21 THR 69 7.595 1.844 4.849 6 HG22 THR 69 HG22 THR 69 6.993 0.309 5.478 7 HG23 THR 69 HG23 THR 69 5.982 1.279 4.406 No H/Q in entry = 7 In of MODEL 19 1 H GLU 70 H GLU 70 7.603 4.862 7.417 2 HA GLU 70 HA GLU 70 9.121 5.800 5.177 3 HB2 GLU 70 HB2 GLU 70 10.101 5.865 8.021 4 HB3 GLU 70 HB3 GLU 70 10.370 7.038 6.736 5 HG2 GLU 70 HG2 GLU 70 7.955 7.556 6.832 6 HG3 GLU 70 HG3 GLU 70 7.868 6.565 8.284 No H/Q in entry = 6 In of MODEL 19 1 H PHE 71 H PHE 71 11.017 5.030 4.436 2 HA PHE 71 HA PHE 71 12.204 2.757 5.728 3 HB2 PHE 71 HB2 PHE 71 11.970 1.226 3.832 4 HB3 PHE 71 HB3 PHE 71 10.393 1.701 4.443 5 HD1 PHE 71 HD1 PHE 71 10.429 4.468 3.044 6 HD2 PHE 71 HD2 PHE 71 11.204 0.512 1.717 7 HE1 PHE 71 HE1 PHE 71 9.751 5.104 0.756 8 HE2 PHE 71 HE2 PHE 71 10.531 1.132 -0.570 9 HZ PHE 71 HZ PHE 71 9.818 3.438 -1.062 No H/Q in entry = 9 In of MODEL 19 1 H THR 72 H THR 72 14.223 2.066 4.629 2 HA THR 72 HA THR 72 15.320 4.157 2.885 3 HB THR 72 HB THR 72 16.874 2.396 4.798 4 HG1 THR 72 HG1 THR 72 15.462 4.301 5.573 5 HG21 THR 72 HG21 THR 72 18.125 3.070 2.775 6 HG22 THR 72 HG22 THR 72 17.763 4.760 3.137 7 HG23 THR 72 HG23 THR 72 18.771 3.817 4.237 No H/Q in entry = 7 In of MODEL 19 1 HA PRO 73 HA PRO 73 14.996 0.398 0.179 2 HB2 PRO 73 HB2 PRO 73 15.532 2.049 -2.040 3 HB3 PRO 73 HB3 PRO 73 13.932 1.513 -1.499 4 HG2 PRO 73 HG2 PRO 73 15.339 4.092 -1.034 5 HG3 PRO 73 HG3 PRO 73 13.606 3.785 -1.255 6 HD2 PRO 73 HD2 PRO 73 14.638 4.319 1.167 7 HD3 PRO 73 HD3 PRO 73 13.307 3.156 0.961 No H/Q in entry = 7 In of MODEL 19 1 H THR 74 H THR 74 16.557 -0.731 -0.850 2 HA THR 74 HA THR 74 19.193 0.475 -1.226 3 HB THR 74 HB THR 74 20.326 -1.434 -0.235 4 HG1 THR 74 HG1 THR 74 17.684 -2.399 0.023 5 HG21 THR 74 HG21 THR 74 19.788 0.433 1.268 6 HG22 THR 74 HG22 THR 74 18.246 -0.336 1.658 7 HG23 THR 74 HG23 THR 74 19.760 -1.106 2.129 No H/Q in entry = 7 In of MODEL 19 1 H GLU 75 H GLU 75 20.594 -1.083 -2.564 2 HA GLU 75 HA GLU 75 19.288 -1.859 -4.903 3 HB2 GLU 75 HB2 GLU 75 21.839 -1.550 -4.260 4 HB3 GLU 75 HB3 GLU 75 21.783 -3.283 -4.063 5 HG2 GLU 75 HG2 GLU 75 22.349 -3.271 -6.207 6 HG3 GLU 75 HG3 GLU 75 20.635 -2.987 -6.467 No H/Q in entry = 6 In of MODEL 19 1 H LYS 76 H LYS 76 19.970 -3.657 -1.971 2 HA LYS 76 HA LYS 76 19.543 -6.217 -3.189 3 HB2 LYS 76 HB2 LYS 76 20.256 -5.398 -0.378 4 HB3 LYS 76 HB3 LYS 76 20.207 -7.056 -0.956 5 HG2 LYS 76 HG2 LYS 76 22.235 -6.901 -1.871 6 HG3 LYS 76 HG3 LYS 76 21.864 -5.351 -2.621 7 HD2 LYS 76 HD2 LYS 76 22.256 -4.240 -0.460 8 HD3 LYS 76 HD3 LYS 76 22.701 -5.800 0.238 9 HE2 LYS 76 HE2 LYS 76 24.516 -5.966 -1.463 10 HE3 LYS 76 HE3 LYS 76 24.113 -4.332 -1.992 11 HZ1 LYS 76 HZ1 LYS 76 24.549 -3.612 0.346 12 HZ2 LYS 76 HZ2 LYS 76 25.151 -5.170 0.662 13 HZ3 LYS 76 HZ3 LYS 76 25.916 -4.180 -0.482 No H/Q in entry = 13 In of MODEL 19 1 H ASP 77 H ASP 77 17.694 -4.021 -1.133 2 HA ASP 77 HA ASP 77 16.049 -6.298 -0.279 3 HB2 ASP 77 HB2 ASP 77 15.327 -5.019 1.577 4 HB3 ASP 77 HB3 ASP 77 17.038 -4.660 1.418 No H/Q in entry = 4 In of MODEL 19 1 H GLU 78 H GLU 78 13.625 -5.624 0.084 2 HA GLU 78 HA GLU 78 12.565 -3.967 -2.016 3 HB2 GLU 78 HB2 GLU 78 13.015 -5.900 -3.367 4 HB3 GLU 78 HB3 GLU 78 12.428 -6.983 -2.120 5 HG2 GLU 78 HG2 GLU 78 10.395 -5.122 -3.190 6 HG3 GLU 78 HG3 GLU 78 11.037 -6.304 -4.330 No H/Q in entry = 6 In of MODEL 19 1 H TYR 79 H TYR 79 10.359 -3.538 -1.703 2 HA TYR 79 HA TYR 79 9.150 -4.646 0.706 3 HB2 TYR 79 HB2 TYR 79 8.776 -1.823 -0.315 4 HB3 TYR 79 HB3 TYR 79 8.172 -2.495 1.195 5 HD1 TYR 79 HD1 TYR 79 11.412 -1.854 -0.570 6 HD2 TYR 79 HD2 TYR 79 9.355 -2.102 3.147 7 HE1 TYR 79 HE1 TYR 79 13.422 -1.052 0.592 8 HE2 TYR 79 HE2 TYR 79 11.367 -1.297 4.314 9 HH TYR 79 HH TYR 79 14.222 -0.246 2.556 No H/Q in entry = 9 In of MODEL 19 1 H ALA 80 H ALA 80 6.811 -4.786 0.684 2 HA ALA 80 HA ALA 80 5.641 -4.746 -2.016 3 HB1 ALA 80 HB1 ALA 80 4.939 -6.944 -1.976 4 HB2 ALA 80 HB2 ALA 80 6.551 -7.047 -1.264 5 HB3 ALA 80 HB3 ALA 80 5.126 -7.075 -0.233 No H/Q in entry = 5 In of MODEL 19 1 H CYS 81 H CYS 81 3.237 -5.016 -1.981 2 HA CYS 81 HA CYS 81 2.083 -3.969 0.526 3 HB2 CYS 81 HB2 CYS 81 1.606 -3.316 -2.338 4 HB3 CYS 81 HB3 CYS 81 0.206 -3.322 -1.270 No H/Q in entry = 4 In of MODEL 19 1 H ARG 82 H ARG 82 0.508 -5.150 1.481 2 HA ARG 82 HA ARG 82 -0.713 -7.389 -0.040 3 HB2 ARG 82 HB2 ARG 82 0.822 -7.882 2.025 4 HB3 ARG 82 HB3 ARG 82 -0.544 -7.287 2.961 5 HG2 ARG 82 HG2 ARG 82 -1.946 -8.981 1.688 6 HG3 ARG 82 HG3 ARG 82 -0.408 -9.705 1.195 7 HD2 ARG 82 HD2 ARG 82 -1.542 -9.407 3.956 8 HD3 ARG 82 HD3 ARG 82 -1.128 -10.888 3.104 9 HE ARG 82 HE ARG 82 0.829 -8.958 4.196 10 HH11 ARG 82 HH11 ARG 82 -0.115 -12.206 3.267 11 HH12 ARG 82 HH12 ARG 82 1.310 -12.944 3.942 12 HH21 ARG 82 HH21 ARG 82 2.667 -9.937 5.111 13 HH22 ARG 82 HH22 ARG 82 2.876 -11.659 5.007 No H/Q in entry = 13 In of MODEL 19 1 H VAL 83 H VAL 83 -2.998 -7.480 0.004 2 HA VAL 83 HA VAL 83 -4.317 -5.866 2.074 3 HB VAL 83 HB VAL 83 -5.791 -4.756 0.726 4 HG11 VAL 83 HG11 VAL 83 -3.325 -4.999 -0.944 5 HG12 VAL 83 HG12 VAL 83 -4.570 -3.764 -1.141 6 HG13 VAL 83 HG13 VAL 83 -3.634 -3.847 0.353 7 HG21 VAL 83 HG21 VAL 83 -5.228 -6.693 -1.499 8 HG22 VAL 83 HG22 VAL 83 -6.675 -6.642 -0.493 9 HG23 VAL 83 HG23 VAL 83 -6.319 -5.314 -1.598 No H/Q in entry = 9 In of MODEL 19 1 H ASN 84 H ASN 84 -6.192 -6.625 2.816 2 HA ASN 84 HA ASN 84 -7.114 -9.224 1.821 3 HB2 ASN 84 HB2 ASN 84 -7.179 -8.143 4.662 4 HB3 ASN 84 HB3 ASN 84 -8.031 -9.586 4.159 5 HD21 ASN 84 HD21 ASN 84 -4.901 -8.167 4.701 6 HD22 ASN 84 HD22 ASN 84 -4.033 -9.679 4.821 No H/Q in entry = 6 In of MODEL 19 1 H HIS 85 H HIS 85 -9.178 -9.176 0.960 2 HA HIS 85 HA HIS 85 -11.176 -7.783 2.535 3 HB2 HIS 85 HB2 HIS 85 -10.319 -6.348 0.502 4 HB3 HIS 85 HB3 HIS 85 -11.316 -7.454 -0.438 5 HD2 HIS 85 HD2 HIS 85 -11.830 -4.909 2.548 6 HE1 HIS 85 HE1 HIS 85 -15.424 -5.371 0.351 7 HE2 HIS 85 HE2 HIS 85 -14.226 -4.004 2.112 No H/Q in entry = 7 In of MODEL 19 1 H VAL 86 H VAL 86 -13.415 -8.486 1.779 2 HA VAL 86 HA VAL 86 -13.414 -11.316 1.723 3 HB VAL 86 HB VAL 86 -15.842 -11.177 1.641 4 HG11 VAL 86 HG11 VAL 86 -14.588 -9.141 3.474 5 HG12 VAL 86 HG12 VAL 86 -16.209 -9.806 3.666 6 HG13 VAL 86 HG13 VAL 86 -14.802 -10.862 3.791 7 HG21 VAL 86 HG21 VAL 86 -16.073 -9.366 0.017 8 HG22 VAL 86 HG22 VAL 86 -17.005 -9.032 1.477 9 HG23 VAL 86 HG23 VAL 86 -15.468 -8.212 1.205 No H/Q in entry = 9 In of MODEL 19 1 H THR 87 H THR 87 -13.485 -8.915 -0.782 2 HA THR 87 HA THR 87 -14.792 -10.474 -2.740 3 HB THR 87 HB THR 87 -14.125 -8.781 -4.304 4 HG1 THR 87 HG1 THR 87 -11.931 -8.557 -3.788 5 HG21 THR 87 HG21 THR 87 -15.722 -8.190 -2.383 6 HG22 THR 87 HG22 THR 87 -14.375 -7.248 -1.740 7 HG23 THR 87 HG23 THR 87 -15.037 -6.863 -3.326 No H/Q in entry = 7 In of MODEL 19 1 H LEU 88 H LEU 88 -11.424 -9.854 -1.984 2 HA LEU 88 HA LEU 88 -10.394 -11.353 -4.171 3 HB2 LEU 88 HB2 LEU 88 -9.322 -9.912 -1.839 4 HB3 LEU 88 HB3 LEU 88 -8.360 -11.300 -2.289 5 HG LEU 88 HG LEU 88 -7.742 -10.275 -4.422 6 HD11 LEU 88 HD11 LEU 88 -10.139 -8.588 -3.942 7 HD12 LEU 88 HD12 LEU 88 -8.904 -8.172 -5.125 8 HD13 LEU 88 HD13 LEU 88 -9.807 -9.682 -5.277 9 HD21 LEU 88 HD21 LEU 88 -6.795 -9.168 -2.352 10 HD22 LEU 88 HD22 LEU 88 -6.826 -8.180 -3.823 11 HD23 LEU 88 HD23 LEU 88 -8.029 -7.928 -2.554 No H/Q in entry = 11 In of MODEL 19 1 H SER 89 H SER 89 -10.380 -13.467 -4.384 2 HA SER 89 HA SER 89 -11.140 -15.211 -2.271 3 HB2 SER 89 HB2 SER 89 -10.676 -17.008 -3.949 4 HB3 SER 89 HB3 SER 89 -11.722 -15.735 -4.567 5 HG SER 89 HG SER 89 -9.286 -16.541 -5.456 No H/Q in entry = 5 In of MODEL 19 1 H GLN 90 H GLN 90 -8.238 -13.763 -3.155 2 HA GLN 90 HA GLN 90 -6.819 -15.185 -1.050 3 HB2 GLN 90 HB2 GLN 90 -5.333 -14.444 -3.556 4 HB3 GLN 90 HB3 GLN 90 -4.881 -15.596 -2.314 5 HG2 GLN 90 HG2 GLN 90 -6.222 -17.269 -3.205 6 HG3 GLN 90 HG3 GLN 90 -7.186 -16.120 -4.149 7 HE21 GLN 90 HE21 GLN 90 -6.817 -17.180 -6.082 8 HE22 GLN 90 HE22 GLN 90 -5.276 -17.170 -6.872 No H/Q in entry = 8 In of MODEL 19 1 HA PRO 91 HA PRO 91 -5.955 -10.717 -0.153 2 HB2 PRO 91 HB2 PRO 91 -3.572 -12.205 0.957 3 HB3 PRO 91 HB3 PRO 91 -4.396 -10.773 1.608 4 HG2 PRO 91 HG2 PRO 91 -4.976 -13.092 2.656 5 HG3 PRO 91 HG3 PRO 91 -6.309 -11.991 2.195 6 HD2 PRO 91 HD2 PRO 91 -5.289 -14.464 0.793 7 HD3 PRO 91 HD3 PRO 91 -6.980 -13.908 0.996 No H/Q in entry = 7 In of MODEL 19 1 H LYS 92 H LYS 92 -4.397 -9.246 -1.022 2 HA LYS 92 HA LYS 92 -3.232 -10.409 -3.458 3 HB2 LYS 92 HB2 LYS 92 -5.205 -8.897 -3.670 4 HB3 LYS 92 HB3 LYS 92 -4.157 -7.589 -3.111 5 HG2 LYS 92 HG2 LYS 92 -4.215 -7.632 -5.535 6 HG3 LYS 92 HG3 LYS 92 -2.607 -8.112 -4.955 7 HD2 LYS 92 HD2 LYS 92 -2.785 -10.114 -5.853 8 HD3 LYS 92 HD3 LYS 92 -4.341 -10.368 -5.070 9 HE2 LYS 92 HE2 LYS 92 -4.609 -10.550 -7.479 10 HE3 LYS 92 HE3 LYS 92 -5.487 -9.157 -6.836 11 HZ1 LYS 92 HZ1 LYS 92 -2.823 -9.032 -8.157 12 HZ2 LYS 92 HZ2 LYS 92 -4.300 -8.669 -8.907 13 HZ3 LYS 92 HZ3 LYS 92 -3.745 -7.712 -7.624 No H/Q in entry = 13 In of MODEL 19 1 H ILE 93 H ILE 93 -1.071 -10.267 -3.647 2 HA ILE 93 HA ILE 93 0.286 -8.133 -2.132 3 HB ILE 93 HB ILE 93 1.400 -10.747 -3.117 4 HG12 ILE 93 HG12 ILE 93 0.550 -9.737 -0.438 5 HG13 ILE 93 HG13 ILE 93 0.293 -11.283 -1.202 6 HG21 ILE 93 HG21 ILE 93 2.751 -8.517 -1.663 7 HG22 ILE 93 HG22 ILE 93 3.424 -10.119 -1.927 8 HG23 ILE 93 HG23 ILE 93 3.091 -9.065 -3.308 9 HD11 ILE 93 HD11 ILE 93 2.891 -10.378 -0.154 10 HD12 ILE 93 HD12 ILE 93 1.740 -11.395 0.717 11 HD13 ILE 93 HD13 ILE 93 2.486 -11.976 -0.778 No H/Q in entry = 11 In of MODEL 19 1 H VAL 94 H VAL 94 1.179 -6.576 -3.247 2 HA VAL 94 HA VAL 94 2.144 -7.146 -5.967 3 HB VAL 94 HB VAL 94 0.905 -4.546 -5.022 4 HG11 VAL 94 HG11 VAL 94 2.792 -4.152 -6.526 5 HG12 VAL 94 HG12 VAL 94 2.089 -5.256 -7.708 6 HG13 VAL 94 HG13 VAL 94 1.264 -3.749 -7.308 7 HG21 VAL 94 HG21 VAL 94 -0.027 -6.542 -7.086 8 HG22 VAL 94 HG22 VAL 94 -0.764 -6.253 -5.509 9 HG23 VAL 94 HG23 VAL 94 -0.790 -4.991 -6.740 No H/Q in entry = 9 In of MODEL 19 1 H LYS 95 H LYS 95 4.230 -6.761 -6.217 2 HA LYS 95 HA LYS 95 5.686 -5.804 -3.894 3 HB2 LYS 95 HB2 LYS 95 7.347 -7.164 -4.580 4 HB3 LYS 95 HB3 LYS 95 6.175 -7.812 -5.708 5 HG2 LYS 95 HG2 LYS 95 7.033 -6.510 -7.481 6 HG3 LYS 95 HG3 LYS 95 7.998 -5.530 -6.371 7 HD2 LYS 95 HD2 LYS 95 9.054 -7.825 -5.712 8 HD3 LYS 95 HD3 LYS 95 8.413 -8.354 -7.264 9 HE2 LYS 95 HE2 LYS 95 10.233 -5.977 -6.902 10 HE3 LYS 95 HE3 LYS 95 10.781 -7.593 -7.345 11 HZ1 LYS 95 HZ1 LYS 95 8.828 -5.997 -8.914 12 HZ2 LYS 95 HZ2 LYS 95 10.484 -6.121 -9.272 13 HZ3 LYS 95 HZ3 LYS 95 9.489 -7.493 -9.343 No H/Q in entry = 13 In of MODEL 19 1 H TRP 96 H TRP 96 7.039 -4.021 -3.881 2 HA TRP 96 HA TRP 96 6.217 -1.919 -5.669 3 HB2 TRP 96 HB2 TRP 96 6.489 -1.419 -3.294 4 HB3 TRP 96 HB3 TRP 96 8.174 -1.946 -3.332 5 HD1 TRP 96 HD1 TRP 96 5.945 0.807 -4.901 6 HE1 TRP 96 HE1 TRP 96 7.406 2.896 -5.251 7 HE3 TRP 96 HE3 TRP 96 10.444 -1.077 -3.376 8 HZ2 TRP 96 HZ2 TRP 96 10.111 3.652 -4.915 9 HZ3 TRP 96 HZ3 TRP 96 12.419 0.385 -3.406 10 HH2 TRP 96 HH2 TRP 96 12.249 2.722 -4.150 No H/Q in entry = 10 In of MODEL 19 1 H ASP 97 H ASP 97 7.288 -1.217 -7.394 2 HA ASP 97 HA ASP 97 10.065 -2.101 -7.757 3 HB2 ASP 97 HB2 ASP 97 9.711 -2.688 -10.008 4 HB3 ASP 97 HB3 ASP 97 8.326 -3.370 -9.168 No H/Q in entry = 4 In of MODEL 19 1 H ARG 98 H ARG 98 11.417 -0.674 -8.760 2 HA ARG 98 HA ARG 98 10.382 2.058 -9.125 3 HB2 ARG 98 HB2 ARG 98 12.874 2.640 -9.121 4 HB3 ARG 98 HB3 ARG 98 12.173 2.152 -7.598 5 HG2 ARG 98 HG2 ARG 98 13.592 0.156 -9.355 6 HG3 ARG 98 HG3 ARG 98 14.505 1.240 -8.323 7 HD2 ARG 98 HD2 ARG 98 14.239 -0.157 -6.584 8 HD3 ARG 98 HD3 ARG 98 12.475 0.002 -6.739 9 HE ARG 98 HE ARG 98 12.841 -1.862 -8.519 10 HH11 ARG 98 HH11 ARG 98 14.611 -1.486 -5.521 11 HH12 ARG 98 HH12 ARG 98 14.864 -3.193 -5.313 12 HH21 ARG 98 HH21 ARG 98 13.144 -4.097 -8.235 13 HH22 ARG 98 HH22 ARG 98 14.047 -4.673 -6.856 No H/Q in entry = 13 In of MODEL 19 1 H ASP 99 H ASP 99 11.834 -0.643 -10.661 2 HA ASP 99 HA ASP 99 10.958 0.215 -13.216 3 HB2 ASP 99 HB2 ASP 99 13.171 1.483 -12.931 4 HB3 ASP 99 HB3 ASP 99 13.957 -0.094 -12.998 No H/Q in entry = 4 In of MODEL 19 1 H MET 100 H MET 100 12.002 -1.910 -10.972 2 HA MET 100 HA MET 100 11.621 -4.260 -12.540 3 HB2 MET 100 HB2 MET 100 14.032 -5.081 -11.747 4 HB3 MET 100 HB3 MET 100 13.914 -4.026 -13.167 5 HG2 MET 100 HG2 MET 100 14.178 -2.111 -11.437 6 HG3 MET 100 HG3 MET 100 14.811 -3.390 -10.396 7 HE1 MET 100 HE1 MET 100 16.393 -0.722 -11.405 8 HE2 MET 100 HE2 MET 100 17.060 -1.873 -10.247 9 HE3 MET 100 HE3 MET 100 17.998 -1.403 -11.666 No H/Q in entry = 9 In of MODEL 20 1 HA ILE 2 HA ILE 2 -21.092 -10.265 -4.388 2 HB ILE 2 HB ILE 2 -19.067 -11.009 -5.882 3 HG12 ILE 2 HG12 ILE 2 -19.862 -11.238 -8.294 4 HG13 ILE 2 HG13 ILE 2 -21.056 -10.002 -7.924 5 HG21 ILE 2 HG21 ILE 2 -21.873 -12.002 -6.305 6 HG22 ILE 2 HG22 ILE 2 -20.401 -12.886 -6.710 7 HG23 ILE 2 HG23 ILE 2 -20.760 -12.494 -5.028 8 HD11 ILE 2 HD11 ILE 2 -18.071 -9.664 -7.741 9 HD12 ILE 2 HD12 ILE 2 -19.107 -9.076 -9.042 10 HD13 ILE 2 HD13 ILE 2 -19.281 -8.425 -7.412 No H/Q in entry = 10 In of MODEL 20 1 H GLN 3 H GLN 3 -20.920 -7.479 -4.113 2 HA GLN 3 HA GLN 3 -19.556 -5.811 -3.417 3 HB2 GLN 3 HB2 GLN 3 -18.810 -7.753 -1.947 4 HB3 GLN 3 HB3 GLN 3 -17.480 -7.992 -3.062 5 HG2 GLN 3 HG2 GLN 3 -16.759 -6.760 -1.100 6 HG3 GLN 3 HG3 GLN 3 -16.630 -5.763 -2.553 7 HE21 GLN 3 HE21 GLN 3 -19.621 -6.481 -0.885 8 HE22 GLN 3 HE22 GLN 3 -19.928 -4.866 -0.341 No H/Q in entry = 8 In of MODEL 20 1 H ARG 4 H ARG 4 -17.078 -4.979 -3.754 2 HA ARG 4 HA ARG 4 -16.504 -5.270 -6.627 3 HB2 ARG 4 HB2 ARG 4 -17.505 -3.102 -6.299 4 HB3 ARG 4 HB3 ARG 4 -16.486 -2.787 -4.903 5 HG2 ARG 4 HG2 ARG 4 -14.621 -2.301 -6.169 6 HG3 ARG 4 HG3 ARG 4 -15.192 -3.231 -7.567 7 HD2 ARG 4 HD2 ARG 4 -15.243 -0.788 -7.959 8 HD3 ARG 4 HD3 ARG 4 -16.851 -1.507 -8.060 9 HE ARG 4 HE ARG 4 -16.072 -0.364 -5.498 10 HH11 ARG 4 HH11 ARG 4 -17.816 0.042 -8.514 11 HH12 ARG 4 HH12 ARG 4 -18.812 1.335 -7.910 12 HH21 ARG 4 HH21 ARG 4 -17.378 1.341 -4.707 13 HH22 ARG 4 HH22 ARG 4 -18.578 2.056 -5.740 No H/Q in entry = 13 In of MODEL 20 1 H THR 5 H THR 5 -14.351 -5.450 -7.205 2 HA THR 5 HA THR 5 -12.663 -6.425 -5.108 3 HB THR 5 HB THR 5 -11.048 -6.985 -6.857 4 HG1 THR 5 HG1 THR 5 -12.853 -5.553 -8.565 5 HG21 THR 5 HG21 THR 5 -13.918 -7.674 -7.443 6 HG22 THR 5 HG22 THR 5 -12.574 -8.370 -8.344 7 HG23 THR 5 HG23 THR 5 -12.704 -8.643 -6.611 No H/Q in entry = 7 In of MODEL 20 1 HA PRO 6 HA PRO 6 -10.514 -2.499 -4.578 2 HB2 PRO 6 HB2 PRO 6 -8.931 -3.808 -2.546 3 HB3 PRO 6 HB3 PRO 6 -10.159 -2.558 -2.340 4 HG2 PRO 6 HG2 PRO 6 -10.428 -5.171 -1.493 5 HG3 PRO 6 HG3 PRO 6 -11.789 -4.068 -1.818 6 HD2 PRO 6 HD2 PRO 6 -10.675 -6.280 -3.507 7 HD3 PRO 6 HD3 PRO 6 -12.350 -5.702 -3.331 No H/Q in entry = 7 In of MODEL 20 1 H LYS 7 H LYS 7 -8.799 -1.947 -5.802 2 HA LYS 7 HA LYS 7 -7.090 -4.136 -6.743 3 HB2 LYS 7 HB2 LYS 7 -8.258 -2.885 -8.494 4 HB3 LYS 7 HB3 LYS 7 -7.612 -1.369 -7.880 5 HG2 LYS 7 HG2 LYS 7 -5.325 -2.214 -8.425 6 HG3 LYS 7 HG3 LYS 7 -6.085 -3.603 -9.203 7 HD2 LYS 7 HD2 LYS 7 -6.575 -0.719 -9.952 8 HD3 LYS 7 HD3 LYS 7 -5.473 -1.808 -10.796 9 HE2 LYS 7 HE2 LYS 7 -7.344 -3.295 -11.316 10 HE3 LYS 7 HE3 LYS 7 -8.445 -2.207 -10.474 11 HZ1 LYS 7 HZ1 LYS 7 -6.810 -1.423 -12.826 12 HZ2 LYS 7 HZ2 LYS 7 -8.428 -1.929 -12.915 13 HZ3 LYS 7 HZ3 LYS 7 -8.025 -0.507 -12.079 No H/Q in entry = 13 In of MODEL 20 1 H ILE 8 H ILE 8 -4.838 -3.877 -6.833 2 HA ILE 8 HA ILE 8 -3.842 -2.296 -4.604 3 HB ILE 8 HB ILE 8 -2.150 -4.125 -6.277 4 HG12 ILE 8 HG12 ILE 8 -4.084 -5.464 -5.748 5 HG13 ILE 8 HG13 ILE 8 -2.764 -5.954 -4.697 6 HG21 ILE 8 HG21 ILE 8 -2.106 -3.302 -3.376 7 HG22 ILE 8 HG22 ILE 8 -0.986 -4.441 -4.122 8 HG23 ILE 8 HG23 ILE 8 -1.007 -2.757 -4.644 9 HD11 ILE 8 HD11 ILE 8 -5.028 -4.133 -3.934 10 HD12 ILE 8 HD12 ILE 8 -4.867 -5.838 -3.496 11 HD13 ILE 8 HD13 ILE 8 -3.712 -4.654 -2.884 No H/Q in entry = 11 In of MODEL 20 1 H GLN 9 H GLN 9 -3.005 -0.375 -4.935 2 HA GLN 9 HA GLN 9 -1.263 -0.057 -7.271 3 HB2 GLN 9 HB2 GLN 9 -2.345 2.525 -6.467 4 HB3 GLN 9 HB3 GLN 9 -2.443 1.811 -8.080 5 HG2 GLN 9 HG2 GLN 9 -4.420 0.622 -7.528 6 HG3 GLN 9 HG3 GLN 9 -4.332 1.096 -5.839 7 HE21 GLN 9 HE21 GLN 9 -3.471 3.826 -6.566 8 HE22 GLN 9 HE22 GLN 9 -4.891 4.641 -7.136 No H/Q in entry = 8 In of MODEL 20 1 H VAL 10 H VAL 10 0.711 0.224 -6.559 2 HA VAL 10 HA VAL 10 1.200 1.726 -4.092 3 HB VAL 10 HB VAL 10 1.421 -0.425 -3.196 4 HG11 VAL 10 HG11 VAL 10 1.239 -1.605 -5.371 5 HG12 VAL 10 HG12 VAL 10 2.969 -1.357 -5.600 6 HG13 VAL 10 HG13 VAL 10 2.388 -2.330 -4.245 7 HG21 VAL 10 HG21 VAL 10 4.164 0.409 -4.131 8 HG22 VAL 10 HG22 VAL 10 3.379 0.823 -2.607 9 HG23 VAL 10 HG23 VAL 10 3.873 -0.844 -2.924 No H/Q in entry = 9 In of MODEL 20 1 H TYR 11 H TYR 11 2.846 3.079 -4.143 2 HA TYR 11 HA TYR 11 4.941 2.892 -6.095 3 HB2 TYR 11 HB2 TYR 11 4.490 5.015 -7.208 4 HB3 TYR 11 HB3 TYR 11 3.116 3.939 -7.413 5 HD1 TYR 11 HD1 TYR 11 4.328 6.999 -5.788 6 HD2 TYR 11 HD2 TYR 11 0.962 4.480 -6.443 7 HE1 TYR 11 HE1 TYR 11 2.846 8.782 -4.975 8 HE2 TYR 11 HE2 TYR 11 -0.527 6.255 -5.622 9 HH TYR 11 HH TYR 11 0.497 9.461 -5.198 No H/Q in entry = 9 In of MODEL 20 1 H SER 12 H SER 12 6.426 4.870 -5.838 2 HA SER 12 HA SER 12 6.652 5.393 -2.971 3 HB2 SER 12 HB2 SER 12 8.569 4.513 -4.431 4 HB3 SER 12 HB3 SER 12 8.652 6.146 -5.097 5 HG SER 12 HG SER 12 8.574 6.063 -2.354 No H/Q in entry = 5 In of MODEL 20 1 H ARG 13 H ARG 13 6.741 7.465 -2.094 2 HA ARG 13 HA ARG 13 5.137 9.415 -3.371 3 HB2 ARG 13 HB2 ARG 13 5.847 9.036 -0.836 4 HB3 ARG 13 HB3 ARG 13 7.091 10.207 -1.233 5 HG2 ARG 13 HG2 ARG 13 4.115 10.555 -1.111 6 HG3 ARG 13 HG3 ARG 13 5.371 11.500 -0.322 7 HD2 ARG 13 HD2 ARG 13 5.395 12.965 -2.027 8 HD3 ARG 13 HD3 ARG 13 5.617 11.651 -3.187 9 HE ARG 13 HE ARG 13 2.954 12.363 -2.152 10 HH11 ARG 13 HH11 ARG 13 5.140 11.757 -4.835 11 HH12 ARG 13 HH12 ARG 13 3.896 11.936 -6.033 12 HH21 ARG 13 HH21 ARG 13 1.337 12.583 -3.726 13 HH22 ARG 13 HH22 ARG 13 1.735 12.391 -5.412 No H/Q in entry = 13 In of MODEL 20 1 H HIS 14 H HIS 14 8.644 9.256 -2.843 2 HA HIS 14 HA HIS 14 8.968 11.176 -5.033 3 HB2 HIS 14 HB2 HIS 14 10.457 10.981 -2.414 4 HB3 HIS 14 HB3 HIS 14 11.164 11.808 -3.799 5 HD2 HIS 14 HD2 HIS 14 7.803 12.926 -4.331 6 HE1 HIS 14 HE1 HIS 14 9.094 15.385 -1.137 7 HE2 HIS 14 HE2 HIS 14 7.472 15.167 -3.077 No H/Q in entry = 7 In of MODEL 20 1 HA PRO 15 HA PRO 15 11.722 8.529 -7.264 2 HB2 PRO 15 HB2 PRO 15 14.338 9.457 -6.872 3 HB3 PRO 15 HB3 PRO 15 13.221 9.981 -8.148 4 HG2 PRO 15 HG2 PRO 15 13.866 11.315 -5.519 5 HG3 PRO 15 HG3 PRO 15 13.500 12.047 -7.117 6 HD2 PRO 15 HD2 PRO 15 11.662 11.992 -5.143 7 HD3 PRO 15 HD3 PRO 15 11.194 11.766 -6.856 No H/Q in entry = 7 In of MODEL 20 1 H ALA 16 H ALA 16 12.894 6.660 -7.076 2 HA ALA 16 HA ALA 16 13.333 5.698 -4.385 3 HB1 ALA 16 HB1 ALA 16 12.262 4.283 -6.100 4 HB2 ALA 16 HB2 ALA 16 13.762 4.300 -7.023 5 HB3 ALA 16 HB3 ALA 16 13.718 3.546 -5.429 No H/Q in entry = 5 In of MODEL 20 1 H GLU 17 H GLU 17 15.217 6.220 -3.416 2 HA GLU 17 HA GLU 17 17.667 5.976 -5.004 3 HB2 GLU 17 HB2 GLU 17 16.826 8.313 -4.084 4 HB3 GLU 17 HB3 GLU 17 17.511 7.723 -2.580 5 HG2 GLU 17 HG2 GLU 17 19.111 7.806 -5.099 6 HG3 GLU 17 HG3 GLU 17 18.943 9.222 -4.084 No H/Q in entry = 6 In of MODEL 20 1 H ASN 18 H ASN 18 18.870 4.392 -4.385 2 HA ASN 18 HA ASN 18 18.289 2.939 -1.970 3 HB2 ASN 18 HB2 ASN 18 18.835 1.483 -3.675 4 HB3 ASN 18 HB3 ASN 18 20.161 2.485 -4.268 5 HD21 ASN 18 HD21 ASN 18 21.523 0.691 -4.322 6 HD22 ASN 18 HD22 ASN 18 22.197 0.008 -2.881 No H/Q in entry = 6 In of MODEL 20 1 H GLY 19 H GLY 19 19.124 3.131 -0.078 2 HA2 GLY 19 HA2 GLY 19 21.719 4.423 0.300 3 HA3 GLY 19 HA3 GLY 19 20.747 3.624 1.546 No H/Q in entry = 3 In of MODEL 20 1 H LYS 20 H LYS 20 18.451 5.206 0.181 2 HA LYS 20 HA LYS 20 18.992 7.804 1.462 3 HB2 LYS 20 HB2 LYS 20 18.931 7.764 -1.064 4 HB3 LYS 20 HB3 LYS 20 17.248 7.286 -0.940 5 HG2 LYS 20 HG2 LYS 20 17.057 9.540 -1.277 6 HG3 LYS 20 HG3 LYS 20 16.994 9.443 0.483 7 HD2 LYS 20 HD2 LYS 20 19.589 9.775 0.269 8 HD3 LYS 20 HD3 LYS 20 19.175 10.453 -1.299 9 HE2 LYS 20 HE2 LYS 20 19.315 12.168 0.507 10 HE3 LYS 20 HE3 LYS 20 17.742 12.110 -0.290 11 HZ1 LYS 20 HZ1 LYS 20 18.381 10.790 2.293 12 HZ2 LYS 20 HZ2 LYS 20 17.588 12.282 2.141 13 HZ3 LYS 20 HZ3 LYS 20 16.861 10.874 1.548 No H/Q in entry = 13 In of MODEL 20 1 H SER 21 H SER 21 17.454 8.619 2.760 2 HA SER 21 HA SER 21 15.272 6.998 3.594 3 HB2 SER 21 HB2 SER 21 15.882 9.904 4.110 4 HB3 SER 21 HB3 SER 21 14.714 8.929 5.000 5 HG SER 21 HG SER 21 16.290 8.000 6.080 No H/Q in entry = 5 In of MODEL 20 1 H ASN 22 H ASN 22 13.208 7.051 2.956 2 HA ASN 22 HA ASN 22 12.222 9.124 1.147 3 HB2 ASN 22 HB2 ASN 22 13.565 7.214 -0.105 4 HB3 ASN 22 HB3 ASN 22 12.103 6.270 0.192 5 HD21 ASN 22 HD21 ASN 22 11.409 6.104 -1.886 6 HD22 ASN 22 HD22 ASN 22 10.942 7.446 -2.864 No H/Q in entry = 6 In of MODEL 20 1 H PHE 23 H PHE 23 9.845 8.305 0.357 2 HA PHE 23 HA PHE 23 8.590 7.085 2.730 3 HB2 PHE 23 HB2 PHE 23 7.644 9.452 1.097 4 HB3 PHE 23 HB3 PHE 23 6.613 8.580 2.218 5 HD1 PHE 23 HD1 PHE 23 6.122 10.047 3.907 6 HD2 PHE 23 HD2 PHE 23 10.155 9.704 2.598 7 HE1 PHE 23 HE1 PHE 23 6.836 11.539 5.730 8 HE2 PHE 23 HE2 PHE 23 10.880 11.176 4.425 9 HZ PHE 23 HZ PHE 23 9.224 12.087 5.996 No H/Q in entry = 9 In of MODEL 20 1 H LEU 24 H LEU 24 7.062 5.556 2.336 2 HA LEU 24 HA LEU 24 6.649 4.711 -0.449 3 HB2 LEU 24 HB2 LEU 24 7.193 3.336 1.880 4 HB3 LEU 24 HB3 LEU 24 5.471 3.076 1.678 5 HG LEU 24 HG LEU 24 7.670 2.299 -0.269 6 HD11 LEU 24 HD11 LEU 24 5.786 0.665 1.440 7 HD12 LEU 24 HD12 LEU 24 6.915 0.010 0.252 8 HD13 LEU 24 HD13 LEU 24 7.523 0.849 1.679 9 HD21 LEU 24 HD21 LEU 24 4.675 1.974 -0.527 10 HD22 LEU 24 HD22 LEU 24 5.729 2.937 -1.563 11 HD23 LEU 24 HD23 LEU 24 5.875 1.180 -1.548 No H/Q in entry = 11 In of MODEL 20 1 H ASN 25 H ASN 25 4.508 4.221 -1.177 2 HA ASN 25 HA ASN 25 2.301 5.252 0.451 3 HB2 ASN 25 HB2 ASN 25 2.911 6.011 -2.411 4 HB3 ASN 25 HB3 ASN 25 1.320 6.214 -1.703 5 HD21 ASN 25 HD21 ASN 25 2.316 6.989 0.906 6 HD22 ASN 25 HD22 ASN 25 2.916 8.596 0.723 No H/Q in entry = 6 In of MODEL 20 1 H CYS 26 H CYS 26 0.688 3.784 0.562 2 HA CYS 26 HA CYS 26 0.341 1.918 -1.686 3 HB2 CYS 26 HB2 CYS 26 1.365 0.971 0.513 4 HB3 CYS 26 HB3 CYS 26 -0.279 1.136 1.143 No H/Q in entry = 4 In of MODEL 20 1 H TYR 27 H TYR 27 -1.608 2.088 -2.559 2 HA TYR 27 HA TYR 27 -3.704 3.459 -0.999 3 HB2 TYR 27 HB2 TYR 27 -2.866 3.873 -3.866 4 HB3 TYR 27 HB3 TYR 27 -4.453 4.348 -3.289 5 HD1 TYR 27 HD1 TYR 27 -4.763 6.360 -2.038 6 HD2 TYR 27 HD2 TYR 27 -0.817 5.046 -2.978 7 HE1 TYR 27 HE1 TYR 27 -3.887 8.576 -1.465 8 HE2 TYR 27 HE2 TYR 27 0.059 7.255 -2.401 9 HH TYR 27 HH TYR 27 -0.668 9.520 -2.194 No H/Q in entry = 9 In of MODEL 20 1 H VAL 28 H VAL 28 -5.200 1.950 -0.585 2 HA VAL 28 HA VAL 28 -6.064 0.234 -2.830 3 HB VAL 28 HB VAL 28 -6.663 -0.450 0.035 4 HG11 VAL 28 HG11 VAL 28 -6.309 -2.069 -2.481 5 HG12 VAL 28 HG12 VAL 28 -6.684 -2.736 -0.890 6 HG13 VAL 28 HG13 VAL 28 -7.837 -1.670 -1.694 7 HG21 VAL 28 HG21 VAL 28 -4.099 -1.081 -1.418 8 HG22 VAL 28 HG22 VAL 28 -4.284 -0.194 0.101 9 HG23 VAL 28 HG23 VAL 28 -4.650 -1.920 0.037 No H/Q in entry = 9 In of MODEL 20 1 H SER 29 H SER 29 -7.836 1.220 -3.664 2 HA SER 29 HA SER 29 -10.017 1.920 -1.856 3 HB2 SER 29 HB2 SER 29 -8.684 3.990 -2.097 4 HB3 SER 29 HB3 SER 29 -8.888 3.906 -3.845 5 HG SER 29 HG SER 29 -10.754 4.552 -1.847 No H/Q in entry = 5 In of MODEL 20 1 H GLY 30 H GLY 30 -12.013 2.564 -3.113 2 HA2 GLY 30 HA2 GLY 30 -12.156 1.277 -5.747 3 HA3 GLY 30 HA3 GLY 30 -13.345 2.386 -5.076 No H/Q in entry = 3 In of MODEL 20 1 H PHE 31 H PHE 31 -13.223 0.951 -2.477 2 HA PHE 31 HA PHE 31 -14.777 -1.445 -3.213 3 HB2 PHE 31 HB2 PHE 31 -13.751 -2.586 -1.282 4 HB3 PHE 31 HB3 PHE 31 -12.507 -2.043 -2.430 5 HD1 PHE 31 HD1 PHE 31 -13.981 -1.486 0.887 6 HD2 PHE 31 HD2 PHE 31 -11.023 -0.224 -1.897 7 HE1 PHE 31 HE1 PHE 31 -12.883 -0.181 2.654 8 HE2 PHE 31 HE2 PHE 31 -9.921 1.084 -0.132 9 HZ PHE 31 HZ PHE 31 -10.853 1.112 2.140 No H/Q in entry = 9 In of MODEL 20 1 H HIS 32 H HIS 32 -15.763 -2.315 -0.989 2 HA HIS 32 HA HIS 32 -16.626 -0.133 0.757 3 HB2 HIS 32 HB2 HIS 32 -18.666 -2.118 -0.357 4 HB3 HIS 32 HB3 HIS 32 -18.958 -0.870 0.840 5 HD2 HIS 32 HD2 HIS 32 -18.291 1.820 -0.318 6 HE1 HIS 32 HE1 HIS 32 -19.849 0.524 -4.031 7 HE2 HIS 32 HE2 HIS 32 -18.927 2.502 -2.741 No H/Q in entry = 7 In of MODEL 20 1 HA PRO 33 HA PRO 33 -18.843 -0.739 2.491 2 HB2 PRO 33 HB2 PRO 33 -17.771 -0.535 5.233 3 HB3 PRO 33 HB3 PRO 33 -19.411 -0.898 4.689 4 HG2 PRO 33 HG2 PRO 33 -17.842 -2.788 5.752 5 HG3 PRO 33 HG3 PRO 33 -18.973 -3.149 4.433 6 HD2 PRO 33 HD2 PRO 33 -16.008 -2.728 4.330 7 HD3 PRO 33 HD3 PRO 33 -17.007 -3.929 3.476 No H/Q in entry = 7 In of MODEL 20 1 H SER 34 H SER 34 -16.056 0.066 4.647 2 HA SER 34 HA SER 34 -15.250 2.212 2.908 3 HB2 SER 34 HB2 SER 34 -16.252 2.740 5.727 4 HB3 SER 34 HB3 SER 34 -15.465 3.921 4.686 5 HG SER 34 HG SER 34 -17.487 2.865 3.327 No H/Q in entry = 5 In of MODEL 20 1 H ASP 35 H ASP 35 -14.395 -0.351 4.187 2 HA ASP 35 HA ASP 35 -11.934 0.555 5.463 3 HB2 ASP 35 HB2 ASP 35 -12.246 -0.832 7.449 4 HB3 ASP 35 HB3 ASP 35 -13.604 0.286 7.320 No H/Q in entry = 4 In of MODEL 20 1 H ILE 36 H ILE 36 -10.252 -0.654 4.957 2 HA ILE 36 HA ILE 36 -10.552 -3.499 4.349 3 HB ILE 36 HB ILE 36 -10.450 -2.144 2.142 4 HG12 ILE 36 HG12 ILE 36 -8.619 -4.393 2.918 5 HG13 ILE 36 HG13 ILE 36 -10.060 -4.439 1.911 6 HG21 ILE 36 HG21 ILE 36 -7.608 -1.809 3.103 7 HG22 ILE 36 HG22 ILE 36 -8.151 -1.496 1.453 8 HG23 ILE 36 HG23 ILE 36 -8.758 -0.511 2.781 9 HD11 ILE 36 HD11 ILE 36 -7.429 -3.211 1.105 10 HD12 ILE 36 HD12 ILE 36 -7.977 -4.822 0.652 11 HD13 ILE 36 HD13 ILE 36 -8.854 -3.402 0.083 No H/Q in entry = 11 In of MODEL 20 1 H GLU 37 H GLU 37 -8.522 -4.660 4.772 2 HA GLU 37 HA GLU 37 -6.646 -3.061 6.343 3 HB2 GLU 37 HB2 GLU 37 -7.845 -5.077 7.368 4 HB3 GLU 37 HB3 GLU 37 -6.875 -6.059 6.278 5 HG2 GLU 37 HG2 GLU 37 -5.704 -6.093 8.307 6 HG3 GLU 37 HG3 GLU 37 -4.843 -4.914 7.314 No H/Q in entry = 6 In of MODEL 20 1 H VAL 38 H VAL 38 -4.770 -2.669 5.441 2 HA VAL 38 HA VAL 38 -3.657 -4.580 3.539 3 HB VAL 38 HB VAL 38 -3.978 -3.207 1.817 4 HG11 VAL 38 HG11 VAL 38 -4.632 -1.028 3.776 5 HG12 VAL 38 HG12 VAL 38 -4.851 -0.922 2.029 6 HG13 VAL 38 HG13 VAL 38 -5.760 -2.112 2.960 7 HG21 VAL 38 HG21 VAL 38 -2.054 -1.363 3.235 8 HG22 VAL 38 HG22 VAL 38 -1.644 -2.649 2.103 9 HG23 VAL 38 HG23 VAL 38 -2.519 -1.221 1.537 No H/Q in entry = 9 In of MODEL 20 1 H ASP 39 H ASP 39 -1.520 -4.822 3.624 2 HA ASP 39 HA ASP 39 -0.081 -3.347 5.721 3 HB2 ASP 39 HB2 ASP 39 0.131 -5.153 7.047 4 HB3 ASP 39 HB3 ASP 39 -1.084 -5.914 6.032 No H/Q in entry = 4 In of MODEL 20 1 H LEU 40 H LEU 40 2.166 -3.228 5.461 2 HA LEU 40 HA LEU 40 2.971 -3.590 2.667 3 HB2 LEU 40 HB2 LEU 40 4.429 -1.946 4.726 4 HB3 LEU 40 HB3 LEU 40 4.601 -1.893 2.984 5 HG LEU 40 HG LEU 40 2.233 -0.917 4.567 6 HD11 LEU 40 HD11 LEU 40 4.187 0.530 4.748 7 HD12 LEU 40 HD12 LEU 40 4.335 0.565 2.988 8 HD13 LEU 40 HD13 LEU 40 2.929 1.292 3.772 9 HD21 LEU 40 HD21 LEU 40 2.721 -0.963 1.603 10 HD22 LEU 40 HD22 LEU 40 1.423 -1.767 2.492 11 HD23 LEU 40 HD23 LEU 40 1.471 -0.003 2.398 No H/Q in entry = 11 In of MODEL 20 1 H LEU 41 H LEU 41 4.790 -4.700 2.130 2 HA LEU 41 HA LEU 41 5.840 -6.394 4.282 3 HB2 LEU 41 HB2 LEU 41 5.951 -7.137 1.404 4 HB3 LEU 41 HB3 LEU 41 6.053 -8.163 2.802 5 HG LEU 41 HG LEU 41 3.544 -6.763 1.904 6 HD11 LEU 41 HD11 LEU 41 4.274 -8.481 0.324 7 HD12 LEU 41 HD12 LEU 41 4.366 -9.652 1.640 8 HD13 LEU 41 HD13 LEU 41 2.810 -8.962 1.176 9 HD21 LEU 41 HD21 LEU 41 3.646 -7.163 4.310 10 HD22 LEU 41 HD22 LEU 41 2.454 -8.209 3.535 11 HD23 LEU 41 HD23 LEU 41 4.020 -8.862 4.015 No H/Q in entry = 11 In of MODEL 20 1 H LYS 42 H LYS 42 7.795 -7.546 3.460 2 HA LYS 42 HA LYS 42 9.789 -5.968 2.140 3 HB2 LYS 42 HB2 LYS 42 9.866 -6.320 5.101 4 HB3 LYS 42 HB3 LYS 42 11.373 -6.294 4.192 5 HG2 LYS 42 HG2 LYS 42 10.982 -4.095 3.422 6 HG3 LYS 42 HG3 LYS 42 9.298 -4.119 3.966 7 HD2 LYS 42 HD2 LYS 42 10.058 -4.216 6.299 8 HD3 LYS 42 HD3 LYS 42 11.738 -4.281 5.758 9 HE2 LYS 42 HE2 LYS 42 11.493 -2.049 4.775 10 HE3 LYS 42 HE3 LYS 42 9.822 -1.993 5.336 11 HZ1 LYS 42 HZ1 LYS 42 10.638 -2.183 7.613 12 HZ2 LYS 42 HZ2 LYS 42 12.236 -2.189 7.060 13 HZ3 LYS 42 HZ3 LYS 42 11.271 -0.809 6.850 No H/Q in entry = 13 In of MODEL 20 1 H ASN 43 H ASN 43 10.286 -7.548 0.782 2 HA ASN 43 HA ASN 43 11.006 -9.523 -0.071 3 HB2 ASN 43 HB2 ASN 43 11.902 -10.131 2.767 4 HB3 ASN 43 HB3 ASN 43 12.419 -11.006 1.330 5 HD21 ASN 43 HD21 ASN 43 12.796 -8.171 3.251 6 HD22 ASN 43 HD22 ASN 43 14.132 -7.488 2.388 No H/Q in entry = 6 In of MODEL 20 1 H GLY 44 H GLY 44 8.831 -9.435 2.537 2 HA2 GLY 44 HA2 GLY 44 7.870 -12.156 2.112 3 HA3 GLY 44 HA3 GLY 44 6.784 -10.834 1.649 No H/Q in entry = 3 In of MODEL 20 1 H GLU 45 H GLU 45 8.524 -9.627 4.146 2 HA GLU 45 HA GLU 45 6.937 -10.860 6.268 3 HB2 GLU 45 HB2 GLU 45 8.561 -10.009 7.770 4 HB3 GLU 45 HB3 GLU 45 9.444 -10.593 6.371 5 HG2 GLU 45 HG2 GLU 45 9.677 -8.354 5.520 6 HG3 GLU 45 HG3 GLU 45 8.740 -7.721 6.869 No H/Q in entry = 6 In of MODEL 20 1 H ARG 46 H ARG 46 5.641 -9.637 7.630 2 HA ARG 46 HA ARG 46 4.525 -7.246 6.581 3 HB2 ARG 46 HB2 ARG 46 3.235 -8.863 7.922 4 HB3 ARG 46 HB3 ARG 46 4.236 -8.493 9.321 5 HG2 ARG 46 HG2 ARG 46 3.386 -6.278 9.462 6 HG3 ARG 46 HG3 ARG 46 2.582 -6.416 7.900 7 HD2 ARG 46 HD2 ARG 46 0.929 -7.889 8.770 8 HD3 ARG 46 HD3 ARG 46 1.865 -8.163 10.246 9 HE ARG 46 HE ARG 46 1.431 -5.596 10.505 10 HH11 ARG 46 HH11 ARG 46 -0.816 -8.021 9.320 11 HH12 ARG 46 HH12 ARG 46 -2.216 -7.163 9.894 12 HH21 ARG 46 HH21 ARG 46 -0.413 -4.493 11.264 13 HH22 ARG 46 HH22 ARG 46 -1.996 -5.173 10.993 No H/Q in entry = 13 In of MODEL 20 1 H ILE 47 H ILE 47 5.000 -5.186 6.983 2 HA ILE 47 HA ILE 47 7.205 -4.531 8.767 3 HB ILE 47 HB ILE 47 5.566 -2.739 6.963 4 HG12 ILE 47 HG12 ILE 47 8.334 -3.824 6.496 5 HG13 ILE 47 HG13 ILE 47 6.882 -4.529 5.788 6 HG21 ILE 47 HG21 ILE 47 6.673 -1.567 8.823 7 HG22 ILE 47 HG22 ILE 47 8.221 -2.236 8.308 8 HG23 ILE 47 HG23 ILE 47 7.350 -1.114 7.257 9 HD11 ILE 47 HD11 ILE 47 7.862 -1.718 5.347 10 HD12 ILE 47 HD12 ILE 47 8.027 -3.063 4.218 11 HD13 ILE 47 HD13 ILE 47 6.427 -2.445 4.624 No H/Q in entry = 11 In of MODEL 20 1 H GLU 48 H GLU 48 6.979 -3.380 10.643 2 HA GLU 48 HA GLU 48 4.236 -3.000 11.576 3 HB2 GLU 48 HB2 GLU 48 5.638 -2.406 13.768 4 HB3 GLU 48 HB3 GLU 48 5.201 -4.051 13.344 5 HG2 GLU 48 HG2 GLU 48 7.810 -2.899 12.474 6 HG3 GLU 48 HG3 GLU 48 7.595 -3.528 14.102 No H/Q in entry = 6 In of MODEL 20 1 H LYS 49 H LYS 49 7.229 -1.195 11.033 2 HA LYS 49 HA LYS 49 6.491 1.261 12.013 3 HB2 LYS 49 HB2 LYS 49 8.000 1.028 9.432 4 HB3 LYS 49 HB3 LYS 49 8.225 2.183 10.742 5 HG2 LYS 49 HG2 LYS 49 8.724 -0.190 11.998 6 HG3 LYS 49 HG3 LYS 49 9.346 -0.486 10.374 7 HD2 LYS 49 HD2 LYS 49 11.172 0.355 11.568 8 HD3 LYS 49 HD3 LYS 49 10.596 1.721 10.616 9 HE2 LYS 49 HE2 LYS 49 9.785 1.248 13.476 10 HE3 LYS 49 HE3 LYS 49 11.200 2.197 13.028 11 HZ1 LYS 49 HZ1 LYS 49 9.691 3.644 11.723 12 HZ2 LYS 49 HZ2 LYS 49 8.369 2.791 12.358 13 HZ3 LYS 49 HZ3 LYS 49 9.381 3.667 13.387 No H/Q in entry = 13 In of MODEL 20 1 H VAL 50 H VAL 50 4.891 -0.367 9.579 2 HA VAL 50 HA VAL 50 4.051 1.743 7.906 3 HB VAL 50 HB VAL 50 2.561 -0.777 8.639 4 HG11 VAL 50 HG11 VAL 50 1.155 0.985 7.612 5 HG12 VAL 50 HG12 VAL 50 2.255 1.012 6.229 6 HG13 VAL 50 HG13 VAL 50 1.326 -0.445 6.583 7 HG21 VAL 50 HG21 VAL 50 4.785 -1.235 7.750 8 HG22 VAL 50 HG22 VAL 50 3.532 -1.706 6.609 9 HG23 VAL 50 HG23 VAL 50 4.438 -0.219 6.349 No H/Q in entry = 9 In of MODEL 20 1 H GLU 51 H GLU 51 2.486 3.225 8.097 2 HA GLU 51 HA GLU 51 0.704 3.042 10.420 3 HB2 GLU 51 HB2 GLU 51 2.028 5.578 9.446 4 HB3 GLU 51 HB3 GLU 51 0.896 5.443 10.787 5 HG2 GLU 51 HG2 GLU 51 2.526 3.952 11.922 6 HG3 GLU 51 HG3 GLU 51 3.669 4.300 10.627 No H/Q in entry = 6 In of MODEL 20 1 H HIS 52 H HIS 52 -1.334 3.654 10.099 2 HA HIS 52 HA HIS 52 -2.018 4.810 7.465 3 HB2 HIS 52 HB2 HIS 52 -3.021 2.663 7.344 4 HB3 HIS 52 HB3 HIS 52 -3.592 2.713 8.994 5 HD2 HIS 52 HD2 HIS 52 -4.421 4.952 5.851 6 HE1 HIS 52 HE1 HIS 52 -7.947 3.911 7.946 7 HE2 HIS 52 HE2 HIS 52 -6.968 5.388 6.136 No H/Q in entry = 7 In of MODEL 20 1 H SER 53 H SER 53 -3.123 6.566 7.449 2 HA SER 53 HA SER 53 -3.472 8.063 9.885 3 HB2 SER 53 HB2 SER 53 -2.677 9.048 7.715 4 HB3 SER 53 HB3 SER 53 -4.300 8.818 7.067 5 HG SER 53 HG SER 53 -4.071 10.922 7.834 No H/Q in entry = 5 In of MODEL 20 1 H ASP 54 H ASP 54 -5.639 9.445 9.988 2 HA ASP 54 HA ASP 54 -7.699 7.615 10.642 3 HB2 ASP 54 HB2 ASP 54 -7.510 9.764 11.782 4 HB3 ASP 54 HB3 ASP 54 -7.819 10.616 10.273 No H/Q in entry = 4 In of MODEL 20 1 H LEU 55 H LEU 55 -8.704 6.444 9.186 2 HA LEU 55 HA LEU 55 -9.000 5.850 6.881 3 HB2 LEU 55 HB2 LEU 55 -10.997 5.967 8.577 4 HB3 LEU 55 HB3 LEU 55 -11.564 7.233 7.514 5 HG LEU 55 HG LEU 55 -12.571 5.011 7.061 6 HD11 LEU 55 HD11 LEU 55 -10.901 6.124 4.818 7 HD12 LEU 55 HD12 LEU 55 -12.270 5.027 4.633 8 HD13 LEU 55 HD13 LEU 55 -12.520 6.647 5.283 9 HD21 LEU 55 HD21 LEU 55 -10.663 3.614 7.606 10 HD22 LEU 55 HD22 LEU 55 -11.233 3.286 5.971 11 HD23 LEU 55 HD23 LEU 55 -9.780 4.254 6.219 No H/Q in entry = 11 In of MODEL 20 1 H SER 56 H SER 56 -11.253 8.478 6.721 2 HA SER 56 HA SER 56 -9.871 10.385 5.263 3 HB2 SER 56 HB2 SER 56 -9.657 8.378 3.656 4 HB3 SER 56 HB3 SER 56 -11.390 8.557 3.392 5 HG SER 56 HG SER 56 -9.278 10.190 2.599 No H/Q in entry = 5 In of MODEL 20 1 H PHE 57 H PHE 57 -11.487 11.711 3.916 2 HA PHE 57 HA PHE 57 -14.194 11.424 5.032 3 HB2 PHE 57 HB2 PHE 57 -14.448 13.865 4.874 4 HB3 PHE 57 HB3 PHE 57 -13.105 13.437 5.924 5 HD1 PHE 57 HD1 PHE 57 -10.752 13.565 4.944 6 HD2 PHE 57 HD2 PHE 57 -14.156 15.327 3.102 7 HE1 PHE 57 HE1 PHE 57 -9.277 15.065 3.663 8 HE2 PHE 57 HE2 PHE 57 -12.693 16.822 1.814 9 HZ PHE 57 HZ PHE 57 -10.251 16.694 2.092 No H/Q in entry = 9 In of MODEL 20 1 H SER 58 H SER 58 -15.832 11.307 3.617 2 HA SER 58 HA SER 58 -15.297 10.697 0.926 3 HB2 SER 58 HB2 SER 58 -17.284 9.893 2.217 4 HB3 SER 58 HB3 SER 58 -17.959 11.519 2.116 5 HG SER 58 HG SER 58 -18.781 10.801 0.313 No H/Q in entry = 5 In of MODEL 20 1 H LYS 59 H LYS 59 -15.718 11.849 -0.969 2 HA LYS 59 HA LYS 59 -15.941 14.751 -0.658 3 HB2 LYS 59 HB2 LYS 59 -13.722 13.326 -2.128 4 HB3 LYS 59 HB3 LYS 59 -14.067 15.041 -2.296 5 HG2 LYS 59 HG2 LYS 59 -13.668 15.313 0.132 6 HG3 LYS 59 HG3 LYS 59 -13.200 13.614 0.207 7 HD2 LYS 59 HD2 LYS 59 -11.243 15.066 0.056 8 HD3 LYS 59 HD3 LYS 59 -11.386 14.034 -1.370 9 HE2 LYS 59 HE2 LYS 59 -10.781 16.310 -1.996 10 HE3 LYS 59 HE3 LYS 59 -12.374 15.886 -2.616 11 HZ1 LYS 59 HZ1 LYS 59 -13.358 17.097 -0.734 12 HZ2 LYS 59 HZ2 LYS 59 -11.809 17.558 -0.222 13 HZ3 LYS 59 HZ3 LYS 59 -12.403 18.100 -1.713 No H/Q in entry = 13 In of MODEL 20 1 H ASP 60 H ASP 60 -15.107 12.641 -3.414 2 HA ASP 60 HA ASP 60 -17.629 13.454 -4.676 3 HB2 ASP 60 HB2 ASP 60 -14.884 13.291 -5.943 4 HB3 ASP 60 HB3 ASP 60 -16.377 13.451 -6.859 No H/Q in entry = 4 In of MODEL 20 1 H TRP 61 H TRP 61 -15.015 11.101 -4.481 2 HA TRP 61 HA TRP 61 -16.733 9.127 -5.823 3 HB2 TRP 61 HB2 TRP 61 -13.712 9.144 -5.615 4 HB3 TRP 61 HB3 TRP 61 -14.689 7.996 -6.525 5 HD1 TRP 61 HD1 TRP 61 -15.998 9.029 -8.717 6 HE1 TRP 61 HE1 TRP 61 -15.286 10.925 -10.305 7 HE3 TRP 61 HE3 TRP 61 -12.483 11.263 -5.766 8 HZ2 TRP 61 HZ2 TRP 61 -13.468 13.081 -10.301 9 HZ3 TRP 61 HZ3 TRP 61 -11.296 13.234 -6.617 10 HH2 TRP 61 HH2 TRP 61 -11.787 14.134 -8.870 No H/Q in entry = 10 In of MODEL 20 1 H SER 62 H SER 62 -14.986 6.956 -5.132 2 HA SER 62 HA SER 62 -16.107 6.057 -2.747 3 HB2 SER 62 HB2 SER 62 -13.626 5.188 -4.249 4 HB3 SER 62 HB3 SER 62 -14.294 4.288 -2.882 5 HG SER 62 HG SER 62 -15.442 4.781 -5.431 No H/Q in entry = 5 In of MODEL 20 1 H PHE 63 H PHE 63 -15.022 5.466 -0.759 2 HA PHE 63 HA PHE 63 -13.511 7.615 0.375 3 HB2 PHE 63 HB2 PHE 63 -13.920 4.898 1.631 4 HB3 PHE 63 HB3 PHE 63 -13.703 6.443 2.440 5 HD1 PHE 63 HD1 PHE 63 -16.077 4.355 0.541 6 HD2 PHE 63 HD2 PHE 63 -15.576 7.867 2.907 7 HE1 PHE 63 HE1 PHE 63 -18.521 4.546 0.767 8 HE2 PHE 63 HE2 PHE 63 -18.032 8.060 3.134 9 HZ PHE 63 HZ PHE 63 -19.494 6.399 2.059 No H/Q in entry = 9 In of MODEL 20 1 H TYR 64 H TYR 64 -11.385 7.520 1.197 2 HA TYR 64 HA TYR 64 -9.695 5.635 -0.306 3 HB2 TYR 64 HB2 TYR 64 -8.768 8.290 0.780 4 HB3 TYR 64 HB3 TYR 64 -8.070 7.341 -0.525 5 HD1 TYR 64 HD1 TYR 64 -10.190 10.055 0.292 6 HD2 TYR 64 HD2 TYR 64 -9.510 7.065 -2.657 7 HE1 TYR 64 HE1 TYR 64 -11.451 11.389 -1.338 8 HE2 TYR 64 HE2 TYR 64 -10.772 8.389 -4.300 9 HH TYR 64 HH TYR 64 -12.447 10.134 -4.359 No H/Q in entry = 9 In of MODEL 20 1 H LEU 65 H LEU 65 -7.940 4.649 0.744 2 HA LEU 65 HA LEU 65 -7.472 5.339 3.539 3 HB2 LEU 65 HB2 LEU 65 -9.001 3.561 3.775 4 HB3 LEU 65 HB3 LEU 65 -8.239 2.616 2.507 5 HG LEU 65 HG LEU 65 -6.701 3.171 5.026 6 HD11 LEU 65 HD11 LEU 65 -9.065 2.460 5.574 7 HD12 LEU 65 HD12 LEU 65 -8.696 0.945 4.753 8 HD13 LEU 65 HD13 LEU 65 -7.781 1.420 6.180 9 HD21 LEU 65 HD21 LEU 65 -5.705 1.997 3.062 10 HD22 LEU 65 HD22 LEU 65 -5.739 1.030 4.537 11 HD23 LEU 65 HD23 LEU 65 -6.927 0.735 3.260 No H/Q in entry = 11 In of MODEL 20 1 H LEU 66 H LEU 66 -5.398 5.321 4.089 2 HA LEU 66 HA LEU 66 -3.525 4.609 1.940 3 HB2 LEU 66 HB2 LEU 66 -4.169 7.102 2.462 4 HB3 LEU 66 HB3 LEU 66 -3.038 6.906 3.772 5 HG LEU 66 HG LEU 66 -2.393 6.561 0.863 6 HD11 LEU 66 HD11 LEU 66 -2.812 8.892 1.469 7 HD12 LEU 66 HD12 LEU 66 -1.651 8.756 2.788 8 HD13 LEU 66 HD13 LEU 66 -1.106 8.622 1.116 9 HD21 LEU 66 HD21 LEU 66 -0.664 6.383 3.299 10 HD22 LEU 66 HD22 LEU 66 -0.963 5.135 2.096 11 HD23 LEU 66 HD23 LEU 66 -0.034 6.571 1.666 No H/Q in entry = 11 In of MODEL 20 1 H TYR 67 H TYR 67 -2.033 3.213 2.526 2 HA TYR 67 HA TYR 67 -1.151 3.158 5.337 3 HB2 TYR 67 HB2 TYR 67 -1.718 0.965 3.416 4 HB3 TYR 67 HB3 TYR 67 -0.331 0.758 4.476 5 HD1 TYR 67 HD1 TYR 67 -0.640 0.636 6.918 6 HD2 TYR 67 HD2 TYR 67 -3.961 0.791 4.259 7 HE1 TYR 67 HE1 TYR 67 -2.104 -0.212 8.706 8 HE2 TYR 67 HE2 TYR 67 -5.415 -0.070 6.023 9 HH TYR 67 HH TYR 67 -5.144 -1.446 8.182 No H/Q in entry = 9 In of MODEL 20 1 H TYR 68 H TYR 68 0.817 3.963 5.592 2 HA TYR 68 HA TYR 68 2.769 3.524 3.429 3 HB2 TYR 68 HB2 TYR 68 3.534 5.844 3.529 4 HB3 TYR 68 HB3 TYR 68 1.824 5.782 3.109 5 HD1 TYR 68 HD1 TYR 68 4.285 6.775 5.611 6 HD2 TYR 68 HD2 TYR 68 0.137 6.605 4.688 7 HE1 TYR 68 HE1 TYR 68 3.828 8.375 7.416 8 HE2 TYR 68 HE2 TYR 68 -0.337 8.205 6.495 9 HH TYR 68 HH TYR 68 2.117 10.007 8.028 No H/Q in entry = 9 In of MODEL 20 1 H THR 69 H THR 69 5.006 3.989 4.041 2 HA THR 69 HA THR 69 5.590 4.120 6.877 3 HB THR 69 HB THR 69 5.257 1.668 6.428 4 HG1 THR 69 HG1 THR 69 6.683 2.425 8.083 5 HG21 THR 69 HG21 THR 69 7.626 2.076 4.601 6 HG22 THR 69 HG22 THR 69 7.126 0.502 5.219 7 HG23 THR 69 HG23 THR 69 6.038 1.424 4.185 No H/Q in entry = 7 In of MODEL 20 1 H GLU 70 H GLU 70 7.586 4.999 7.245 2 HA GLU 70 HA GLU 70 9.026 6.036 4.994 3 HB2 GLU 70 HB2 GLU 70 9.807 6.140 7.911 4 HB3 GLU 70 HB3 GLU 70 10.288 7.250 6.630 5 HG2 GLU 70 HG2 GLU 70 7.965 7.912 6.376 6 HG3 GLU 70 HG3 GLU 70 7.549 6.890 7.740 No H/Q in entry = 6 In of MODEL 20 1 H PHE 71 H PHE 71 10.958 5.344 4.246 2 HA PHE 71 HA PHE 71 12.204 3.097 5.545 3 HB2 PHE 71 HB2 PHE 71 12.058 1.574 3.631 4 HB3 PHE 71 HB3 PHE 71 10.452 2.002 4.200 5 HD1 PHE 71 HD1 PHE 71 11.030 0.782 1.550 6 HD2 PHE 71 HD2 PHE 71 10.797 4.844 2.758 7 HE1 PHE 71 HE1 PHE 71 10.406 1.420 -0.746 8 HE2 PHE 71 HE2 PHE 71 10.173 5.502 0.469 9 HZ PHE 71 HZ PHE 71 9.979 3.787 -1.301 No H/Q in entry = 9 In of MODEL 20 1 H THR 72 H THR 72 14.261 2.486 4.525 2 HA THR 72 HA THR 72 15.371 4.567 2.779 3 HB THR 72 HB THR 72 16.894 2.865 4.772 4 HG1 THR 72 HG1 THR 72 17.071 5.197 5.689 5 HG21 THR 72 HG21 THR 72 17.724 5.282 3.150 6 HG22 THR 72 HG22 THR 72 18.719 4.463 4.357 7 HG23 THR 72 HG23 THR 72 18.250 3.618 2.881 No H/Q in entry = 7 In of MODEL 20 1 HA PRO 73 HA PRO 73 14.900 0.643 0.314 2 HB2 PRO 73 HB2 PRO 73 15.602 2.119 -2.012 3 HB3 PRO 73 HB3 PRO 73 13.975 1.645 -1.504 4 HG2 PRO 73 HG2 PRO 73 15.392 4.232 -1.182 5 HG3 PRO 73 HG3 PRO 73 13.656 3.923 -1.365 6 HD2 PRO 73 HD2 PRO 73 14.722 4.616 1.009 7 HD3 PRO 73 HD3 PRO 73 13.372 3.461 0.892 No H/Q in entry = 7 In of MODEL 20 1 H THR 74 H THR 74 16.352 -0.724 -0.555 2 HA THR 74 HA THR 74 19.103 0.158 -0.953 3 HB THR 74 HB THR 74 20.010 -1.743 0.277 4 HG1 THR 74 HG1 THR 74 18.246 -2.807 1.697 5 HG21 THR 74 HG21 THR 74 19.624 0.320 1.547 6 HG22 THR 74 HG22 THR 74 18.012 -0.255 1.978 7 HG23 THR 74 HG23 THR 74 19.439 -1.110 2.562 No H/Q in entry = 7 In of MODEL 20 1 H GLU 75 H GLU 75 20.371 -1.573 -2.129 2 HA GLU 75 HA GLU 75 18.989 -2.520 -4.387 3 HB2 GLU 75 HB2 GLU 75 21.635 -2.250 -3.602 4 HB3 GLU 75 HB3 GLU 75 21.449 -3.976 -3.785 5 HG2 GLU 75 HG2 GLU 75 22.188 -3.311 -5.827 6 HG3 GLU 75 HG3 GLU 75 20.450 -3.337 -6.057 No H/Q in entry = 6 In of MODEL 20 1 H LYS 76 H LYS 76 19.972 -4.056 -1.409 2 HA LYS 76 HA LYS 76 19.266 -6.686 -2.293 3 HB2 LYS 76 HB2 LYS 76 20.410 -5.640 0.278 4 HB3 LYS 76 HB3 LYS 76 20.047 -7.340 0.002 5 HG2 LYS 76 HG2 LYS 76 22.085 -5.632 -1.404 6 HG3 LYS 76 HG3 LYS 76 22.330 -7.152 -0.526 7 HD2 LYS 76 HD2 LYS 76 21.246 -8.402 -2.208 8 HD3 LYS 76 HD3 LYS 76 20.607 -6.942 -2.967 9 HE2 LYS 76 HE2 LYS 76 22.976 -6.288 -3.475 10 HE3 LYS 76 HE3 LYS 76 23.470 -7.884 -2.906 11 HZ1 LYS 76 HZ1 LYS 76 21.528 -7.421 -5.104 12 HZ2 LYS 76 HZ2 LYS 76 23.172 -7.749 -5.345 13 HZ3 LYS 76 HZ3 LYS 76 22.172 -8.910 -4.619 No H/Q in entry = 13 In of MODEL 20 1 H ASP 77 H ASP 77 17.650 -4.245 -0.338 2 HA ASP 77 HA ASP 77 15.899 -6.305 0.765 3 HB2 ASP 77 HB2 ASP 77 16.578 -3.654 1.577 4 HB3 ASP 77 HB3 ASP 77 14.833 -3.743 1.328 No H/Q in entry = 4 In of MODEL 20 1 H GLU 78 H GLU 78 13.452 -5.601 0.758 2 HA GLU 78 HA GLU 78 12.563 -4.734 -1.867 3 HB2 GLU 78 HB2 GLU 78 13.161 -7.021 -2.338 4 HB3 GLU 78 HB3 GLU 78 12.339 -7.589 -0.902 5 HG2 GLU 78 HG2 GLU 78 10.748 -8.132 -2.386 6 HG3 GLU 78 HG3 GLU 78 10.276 -6.447 -2.175 No H/Q in entry = 6 In of MODEL 20 1 H TYR 79 H TYR 79 10.412 -4.092 -1.783 2 HA TYR 79 HA TYR 79 8.987 -4.579 0.720 3 HB2 TYR 79 HB2 TYR 79 8.750 -1.932 -0.707 4 HB3 TYR 79 HB3 TYR 79 8.297 -2.351 0.948 5 HD1 TYR 79 HD1 TYR 79 9.781 -2.080 2.727 6 HD2 TYR 79 HD2 TYR 79 11.227 -1.752 -1.257 7 HE1 TYR 79 HE1 TYR 79 11.914 -1.218 3.579 8 HE2 TYR 79 HE2 TYR 79 13.373 -0.897 -0.416 9 HH TYR 79 HH TYR 79 14.277 -1.086 2.834 No H/Q in entry = 9 In of MODEL 20 1 H ALA 80 H ALA 80 6.772 -4.738 0.612 2 HA ALA 80 HA ALA 80 5.586 -4.730 -2.079 3 HB1 ALA 80 HB1 ALA 80 6.383 -6.998 -1.770 4 HB2 ALA 80 HB2 ALA 80 4.619 -6.956 -1.754 5 HB3 ALA 80 HB3 ALA 80 5.510 -7.112 -0.239 No H/Q in entry = 5 In of MODEL 20 1 H CYS 81 H CYS 81 3.191 -4.952 -2.033 2 HA CYS 81 HA CYS 81 2.070 -3.889 0.480 3 HB2 CYS 81 HB2 CYS 81 1.584 -3.269 -2.390 4 HB3 CYS 81 HB3 CYS 81 0.187 -3.257 -1.320 No H/Q in entry = 4 In of MODEL 20 1 H ARG 82 H ARG 82 0.524 -5.076 1.455 2 HA ARG 82 HA ARG 82 -0.694 -7.322 -0.047 3 HB2 ARG 82 HB2 ARG 82 0.865 -7.815 1.981 4 HB3 ARG 82 HB3 ARG 82 -0.454 -7.177 2.940 5 HG2 ARG 82 HG2 ARG 82 -1.955 -8.888 1.995 6 HG3 ARG 82 HG3 ARG 82 -0.573 -9.577 1.136 7 HD2 ARG 82 HD2 ARG 82 -0.367 -9.155 4.085 8 HD3 ARG 82 HD3 ARG 82 -1.292 -10.527 3.496 9 HE ARG 82 HE ARG 82 0.867 -11.058 2.224 10 HH11 ARG 82 HH11 ARG 82 0.876 -9.326 5.262 11 HH12 ARG 82 HH12 ARG 82 2.266 -10.179 5.887 12 HH21 ARG 82 HH21 ARG 82 2.711 -12.163 3.026 13 HH22 ARG 82 HH22 ARG 82 3.318 -11.758 4.606 No H/Q in entry = 13 In of MODEL 20 1 H VAL 83 H VAL 83 -2.930 -7.362 -0.096 2 HA VAL 83 HA VAL 83 -4.325 -5.823 1.992 3 HB VAL 83 HB VAL 83 -5.832 -4.753 0.633 4 HG11 VAL 83 HG11 VAL 83 -3.283 -4.854 -0.922 5 HG12 VAL 83 HG12 VAL 83 -4.578 -3.683 -1.186 6 HG13 VAL 83 HG13 VAL 83 -3.729 -3.728 0.358 7 HG21 VAL 83 HG21 VAL 83 -5.118 -6.608 -1.629 8 HG22 VAL 83 HG22 VAL 83 -6.593 -6.649 -0.662 9 HG23 VAL 83 HG23 VAL 83 -6.268 -5.273 -1.719 No H/Q in entry = 9 In of MODEL 20 1 H ASN 84 H ASN 84 -6.151 -6.657 2.749 2 HA ASN 84 HA ASN 84 -6.909 -9.316 1.773 3 HB2 ASN 84 HB2 ASN 84 -7.235 -8.230 4.589 4 HB3 ASN 84 HB3 ASN 84 -7.551 -9.873 4.061 5 HD21 ASN 84 HD21 ASN 84 -4.970 -7.488 4.440 6 HD22 ASN 84 HD22 ASN 84 -3.707 -8.634 4.734 No H/Q in entry = 6 In of MODEL 20 1 H HIS 85 H HIS 85 -8.891 -9.327 0.767 2 HA HIS 85 HA HIS 85 -11.079 -8.078 2.218 3 HB2 HIS 85 HB2 HIS 85 -10.176 -6.605 0.245 4 HB3 HIS 85 HB3 HIS 85 -10.970 -7.801 -0.773 5 HD2 HIS 85 HD2 HIS 85 -12.004 -5.242 2.051 6 HE1 HIS 85 HE1 HIS 85 -15.294 -6.057 -0.488 7 HE2 HIS 85 HE2 HIS 85 -14.397 -4.528 1.320 No H/Q in entry = 7 In of MODEL 20 1 H VAL 86 H VAL 86 -13.195 -8.991 1.384 2 HA VAL 86 HA VAL 86 -12.941 -11.816 1.236 3 HB VAL 86 HB VAL 86 -15.369 -11.888 1.053 4 HG11 VAL 86 HG11 VAL 86 -14.374 -11.541 3.251 5 HG12 VAL 86 HG12 VAL 86 -14.457 -9.792 3.019 6 HG13 VAL 86 HG13 VAL 86 -15.941 -10.742 3.123 7 HG21 VAL 86 HG21 VAL 86 -15.662 -10.005 -0.495 8 HG22 VAL 86 HG22 VAL 86 -16.718 -9.873 0.914 9 HG23 VAL 86 HG23 VAL 86 -15.263 -8.883 0.804 No H/Q in entry = 9 In of MODEL 20 1 H THR 87 H THR 87 -13.126 -9.326 -1.141 2 HA THR 87 HA THR 87 -14.332 -10.755 -3.239 3 HB THR 87 HB THR 87 -13.193 -8.967 -4.642 4 HG1 THR 87 HG1 THR 87 -12.703 -7.462 -2.383 5 HG21 THR 87 HG21 THR 87 -14.965 -8.225 -2.328 6 HG22 THR 87 HG22 THR 87 -14.587 -7.123 -3.650 7 HG23 THR 87 HG23 THR 87 -15.459 -8.627 -3.975 No H/Q in entry = 7 In of MODEL 20 1 H LEU 88 H LEU 88 -10.974 -10.033 -2.471 2 HA LEU 88 HA LEU 88 -9.901 -11.163 -4.814 3 HB2 LEU 88 HB2 LEU 88 -8.619 -10.662 -2.125 4 HB3 LEU 88 HB3 LEU 88 -7.730 -11.163 -3.551 5 HG LEU 88 HG LEU 88 -9.221 -8.565 -3.171 6 HD11 LEU 88 HD11 LEU 88 -6.283 -9.183 -3.519 7 HD12 LEU 88 HD12 LEU 88 -6.994 -7.562 -3.440 8 HD13 LEU 88 HD13 LEU 88 -7.072 -8.636 -2.031 9 HD21 LEU 88 HD21 LEU 88 -7.772 -9.614 -5.597 10 HD22 LEU 88 HD22 LEU 88 -9.508 -9.331 -5.452 11 HD23 LEU 88 HD23 LEU 88 -8.384 -7.972 -5.401 No H/Q in entry = 11 In of MODEL 20 1 H SER 89 H SER 89 -10.926 -12.472 -1.818 2 HA SER 89 HA SER 89 -11.162 -14.517 -0.939 3 HB2 SER 89 HB2 SER 89 -11.498 -16.406 -2.338 4 HB3 SER 89 HB3 SER 89 -12.087 -15.014 -3.241 5 HG SER 89 HG SER 89 -9.784 -15.064 -4.125 No H/Q in entry = 5 In of MODEL 20 1 H GLN 90 H GLN 90 -8.269 -13.614 -2.433 2 HA GLN 90 HA GLN 90 -6.746 -15.137 -0.489 3 HB2 GLN 90 HB2 GLN 90 -5.665 -14.805 -3.272 4 HB3 GLN 90 HB3 GLN 90 -5.167 -15.939 -2.034 5 HG2 GLN 90 HG2 GLN 90 -7.007 -17.354 -2.441 6 HG3 GLN 90 HG3 GLN 90 -7.813 -16.130 -3.430 7 HE21 GLN 90 HE21 GLN 90 -7.977 -17.502 -5.196 8 HE22 GLN 90 HE22 GLN 90 -6.602 -17.939 -6.152 No H/Q in entry = 8 In of MODEL 20 1 HA PRO 91 HA PRO 91 -5.664 -10.757 0.003 2 HB2 PRO 91 HB2 PRO 91 -3.333 -12.118 1.315 3 HB3 PRO 91 HB3 PRO 91 -4.263 -10.689 1.826 4 HG2 PRO 91 HG2 PRO 91 -4.773 -12.996 2.978 5 HG3 PRO 91 HG3 PRO 91 -6.120 -11.952 2.449 6 HD2 PRO 91 HD2 PRO 91 -5.012 -14.446 1.152 7 HD3 PRO 91 HD3 PRO 91 -6.720 -13.927 1.319 No H/Q in entry = 7 In of MODEL 20 1 H LYS 92 H LYS 92 -4.302 -9.372 -1.000 2 HA LYS 92 HA LYS 92 -2.866 -10.662 -3.201 3 HB2 LYS 92 HB2 LYS 92 -4.836 -9.227 -3.741 4 HB3 LYS 92 HB3 LYS 92 -3.956 -7.853 -3.085 5 HG2 LYS 92 HG2 LYS 92 -3.729 -7.868 -5.472 6 HG3 LYS 92 HG3 LYS 92 -2.169 -8.264 -4.727 7 HD2 LYS 92 HD2 LYS 92 -2.480 -9.787 -6.530 8 HD3 LYS 92 HD3 LYS 92 -2.739 -10.670 -5.024 9 HE2 LYS 92 HE2 LYS 92 -4.416 -11.314 -6.621 10 HE3 LYS 92 HE3 LYS 92 -5.164 -10.402 -5.315 11 HZ1 LYS 92 HZ1 LYS 92 -5.160 -8.443 -6.755 12 HZ2 LYS 92 HZ2 LYS 92 -4.473 -9.355 -8.007 13 HZ3 LYS 92 HZ3 LYS 92 -6.031 -9.721 -7.447 No H/Q in entry = 13 In of MODEL 20 1 H ILE 93 H ILE 93 -0.771 -10.435 -3.360 2 HA ILE 93 HA ILE 93 0.530 -8.212 -1.940 3 HB ILE 93 HB ILE 93 1.707 -10.840 -2.833 4 HG12 ILE 93 HG12 ILE 93 2.252 -10.933 -0.296 5 HG13 ILE 93 HG13 ILE 93 1.013 -9.701 -0.136 6 HG21 ILE 93 HG21 ILE 93 3.294 -9.022 -3.170 7 HG22 ILE 93 HG22 ILE 93 3.078 -8.525 -1.491 8 HG23 ILE 93 HG23 ILE 93 3.807 -10.086 -1.857 9 HD11 ILE 93 HD11 ILE 93 0.627 -12.454 -1.282 10 HD12 ILE 93 HD12 ILE 93 0.147 -11.921 0.329 11 HD13 ILE 93 HD13 ILE 93 -0.623 -11.226 -1.097 No H/Q in entry = 11 In of MODEL 20 1 H VAL 94 H VAL 94 1.355 -6.679 -3.130 2 HA VAL 94 HA VAL 94 2.277 -7.316 -5.840 3 HB VAL 94 HB VAL 94 0.866 -4.778 -4.982 4 HG11 VAL 94 HG11 VAL 94 2.129 -5.472 -7.635 5 HG12 VAL 94 HG12 VAL 94 1.157 -4.040 -7.305 6 HG13 VAL 94 HG13 VAL 94 2.707 -4.257 -6.494 7 HG21 VAL 94 HG21 VAL 94 -0.644 -6.641 -5.417 8 HG22 VAL 94 HG22 VAL 94 -0.786 -5.415 -6.677 9 HG23 VAL 94 HG23 VAL 94 0.112 -6.900 -6.989 No H/Q in entry = 9 In of MODEL 20 1 H LYS 95 H LYS 95 4.291 -6.789 -6.191 2 HA LYS 95 HA LYS 95 5.819 -5.723 -3.974 3 HB2 LYS 95 HB2 LYS 95 6.616 -6.820 -6.645 4 HB3 LYS 95 HB3 LYS 95 7.769 -6.114 -5.523 5 HG2 LYS 95 HG2 LYS 95 7.078 -7.794 -3.835 6 HG3 LYS 95 HG3 LYS 95 6.086 -8.561 -5.081 7 HD2 LYS 95 HD2 LYS 95 7.983 -9.032 -6.419 8 HD3 LYS 95 HD3 LYS 95 9.022 -8.026 -5.412 9 HE2 LYS 95 HE2 LYS 95 9.384 -10.409 -4.996 10 HE3 LYS 95 HE3 LYS 95 8.768 -9.584 -3.565 11 HZ1 LYS 95 HZ1 LYS 95 6.983 -11.036 -5.433 12 HZ2 LYS 95 HZ2 LYS 95 7.754 -11.811 -4.136 13 HZ3 LYS 95 HZ3 LYS 95 6.670 -10.549 -3.841 No H/Q in entry = 13 In of MODEL 20 1 H TRP 96 H TRP 96 6.928 -3.855 -3.936 2 HA TRP 96 HA TRP 96 5.771 -1.667 -5.283 3 HB2 TRP 96 HB2 TRP 96 6.706 -1.321 -3.093 4 HB3 TRP 96 HB3 TRP 96 8.298 -1.888 -3.602 5 HD1 TRP 96 HD1 TRP 96 5.881 0.979 -4.655 6 HE1 TRP 96 HE1 TRP 96 7.319 3.071 -5.088 7 HE3 TRP 96 HE3 TRP 96 10.501 -0.994 -3.713 8 HZ2 TRP 96 HZ2 TRP 96 10.037 3.795 -5.022 9 HZ3 TRP 96 HZ3 TRP 96 12.472 0.458 -3.912 10 HH2 TRP 96 HH2 TRP 96 12.238 2.821 -4.560 No H/Q in entry = 10 In of MODEL 20 1 H ASP 97 H ASP 97 6.010 -1.248 -7.343 2 HA ASP 97 HA ASP 97 8.423 -2.083 -8.718 3 HB2 ASP 97 HB2 ASP 97 7.205 -1.567 -10.780 4 HB3 ASP 97 HB3 ASP 97 6.275 -2.657 -9.760 No H/Q in entry = 4 In of MODEL 20 1 H ARG 98 H ARG 98 10.066 -0.780 -8.801 2 HA ARG 98 HA ARG 98 9.580 2.069 -9.183 3 HB2 ARG 98 HB2 ARG 98 11.895 2.393 -8.593 4 HB3 ARG 98 HB3 ARG 98 11.150 1.362 -7.403 5 HG2 ARG 98 HG2 ARG 98 12.975 0.116 -7.622 6 HG3 ARG 98 HG3 ARG 98 12.208 -0.469 -9.098 7 HD2 ARG 98 HD2 ARG 98 14.540 0.202 -9.471 8 HD3 ARG 98 HD3 ARG 98 13.413 1.174 -10.412 9 HE ARG 98 HE ARG 98 14.451 2.203 -7.868 10 HH11 ARG 98 HH11 ARG 98 14.221 2.390 -11.359 11 HH12 ARG 98 HH12 ARG 98 14.893 3.994 -11.450 12 HH21 ARG 98 HH21 ARG 98 15.392 4.305 -7.988 13 HH22 ARG 98 HH22 ARG 98 15.577 5.064 -9.533 No H/Q in entry = 13 In of MODEL 20 1 H ASP 99 H ASP 99 11.075 -0.743 -10.648 2 HA ASP 99 HA ASP 99 10.931 0.627 -13.259 3 HB2 ASP 99 HB2 ASP 99 13.048 -1.300 -12.297 4 HB3 ASP 99 HB3 ASP 99 12.838 -0.859 -13.984 No H/Q in entry = 4 In of MODEL 20 1 H MET 100 H MET 100 9.760 -1.725 -11.340 2 HA MET 100 HA MET 100 9.844 -4.041 -12.976 3 HB2 MET 100 HB2 MET 100 7.755 -3.463 -10.868 4 HB3 MET 100 HB3 MET 100 8.321 -5.031 -11.423 5 HG2 MET 100 HG2 MET 100 9.915 -3.034 -9.837 6 HG3 MET 100 HG3 MET 100 9.165 -4.499 -9.211 7 HE1 MET 100 HE1 MET 100 11.444 -5.199 -8.125 8 HE2 MET 100 HE2 MET 100 12.962 -5.354 -9.010 9 HE3 MET 100 HE3 MET 100 12.245 -3.763 -8.761 No H/Q in entry = 9 In of MODEL 21 1 HA ILE 2 HA ILE 2 -21.799 -8.767 -3.607 2 HB ILE 2 HB ILE 2 -22.351 -6.783 -5.123 3 HG12 ILE 2 HG12 ILE 2 -24.821 -6.067 -4.781 4 HG13 ILE 2 HG13 ILE 2 -24.578 -6.559 -3.110 5 HG21 ILE 2 HG21 ILE 2 -23.027 -9.059 -5.605 6 HG22 ILE 2 HG22 ILE 2 -24.461 -8.866 -4.598 7 HG23 ILE 2 HG23 ILE 2 -24.289 -7.924 -6.079 8 HD11 ILE 2 HD11 ILE 2 -22.754 -4.943 -2.909 9 HD12 ILE 2 HD12 ILE 2 -23.015 -4.448 -4.581 10 HD13 ILE 2 HD13 ILE 2 -24.271 -4.173 -3.373 No H/Q in entry = 10 In of MODEL 21 1 H GLN 3 H GLN 3 -20.255 -7.096 -4.567 2 HA GLN 3 HA GLN 3 -19.431 -4.898 -3.026 3 HB2 GLN 3 HB2 GLN 3 -18.930 -6.712 -1.342 4 HB3 GLN 3 HB3 GLN 3 -17.817 -7.429 -2.499 5 HG2 GLN 3 HG2 GLN 3 -16.673 -6.102 -0.786 6 HG3 GLN 3 HG3 GLN 3 -16.398 -5.492 -2.415 7 HE21 GLN 3 HE21 GLN 3 -19.314 -5.026 -0.529 8 HE22 GLN 3 HE22 GLN 3 -19.145 -3.312 -0.359 No H/Q in entry = 8 In of MODEL 21 1 H ARG 4 H ARG 4 -17.021 -4.372 -3.605 2 HA ARG 4 HA ARG 4 -16.483 -5.281 -6.348 3 HB2 ARG 4 HB2 ARG 4 -17.318 -3.110 -6.692 4 HB3 ARG 4 HB3 ARG 4 -16.522 -2.481 -5.255 5 HG2 ARG 4 HG2 ARG 4 -14.491 -2.247 -6.273 6 HG3 ARG 4 HG3 ARG 4 -14.800 -3.542 -7.442 7 HD2 ARG 4 HD2 ARG 4 -14.728 -1.342 -8.519 8 HD3 ARG 4 HD3 ARG 4 -16.326 -2.074 -8.672 9 HE ARG 4 HE ARG 4 -16.125 -0.342 -6.407 10 HH11 ARG 4 HH11 ARG 4 -16.594 -0.448 -9.871 11 HH12 ARG 4 HH12 ARG 4 -17.423 1.085 -9.941 12 HH21 ARG 4 HH21 ARG 4 -17.216 1.680 -6.486 13 HH22 ARG 4 HH22 ARG 4 -17.778 2.298 -8.010 No H/Q in entry = 13 In of MODEL 21 1 H THR 5 H THR 5 -14.340 -5.560 -6.893 2 HA THR 5 HA THR 5 -12.662 -6.305 -4.742 3 HB THR 5 HB THR 5 -11.074 -7.013 -6.407 4 HG1 THR 5 HG1 THR 5 -11.495 -4.978 -7.711 5 HG21 THR 5 HG21 THR 5 -13.948 -7.479 -7.135 6 HG22 THR 5 HG22 THR 5 -12.639 -8.209 -8.064 7 HG23 THR 5 HG23 THR 5 -12.805 -8.572 -6.350 No H/Q in entry = 7 In of MODEL 21 1 HA PRO 6 HA PRO 6 -10.639 -2.277 -4.345 2 HB2 PRO 6 HB2 PRO 6 -9.009 -3.510 -2.282 3 HB3 PRO 6 HB3 PRO 6 -10.215 -2.232 -2.118 4 HG2 PRO 6 HG2 PRO 6 -10.525 -4.784 -1.143 5 HG3 PRO 6 HG3 PRO 6 -11.873 -3.693 -1.544 6 HD2 PRO 6 HD2 PRO 6 -10.767 -6.010 -3.083 7 HD3 PRO 6 HD3 PRO 6 -12.441 -5.410 -2.964 No H/Q in entry = 7 In of MODEL 21 1 H LYS 7 H LYS 7 -8.885 -1.687 -5.527 2 HA LYS 7 HA LYS 7 -7.177 -3.867 -6.483 3 HB2 LYS 7 HB2 LYS 7 -8.343 -2.504 -8.179 4 HB3 LYS 7 HB3 LYS 7 -7.555 -1.057 -7.562 5 HG2 LYS 7 HG2 LYS 7 -5.377 -1.989 -8.192 6 HG3 LYS 7 HG3 LYS 7 -6.186 -3.412 -8.848 7 HD2 LYS 7 HD2 LYS 7 -7.397 -1.970 -10.427 8 HD3 LYS 7 HD3 LYS 7 -6.539 -0.569 -9.784 9 HE2 LYS 7 HE2 LYS 7 -5.224 -2.961 -11.071 10 HE3 LYS 7 HE3 LYS 7 -5.563 -1.435 -11.886 11 HZ1 LYS 7 HZ1 LYS 7 -4.128 -0.314 -10.280 12 HZ2 LYS 7 HZ2 LYS 7 -3.772 -1.800 -9.540 13 HZ3 LYS 7 HZ3 LYS 7 -3.287 -1.505 -11.137 No H/Q in entry = 13 In of MODEL 21 1 H ILE 8 H ILE 8 -4.934 -3.665 -6.574 2 HA ILE 8 HA ILE 8 -3.823 -2.137 -4.352 3 HB ILE 8 HB ILE 8 -2.660 -4.373 -6.036 4 HG12 ILE 8 HG12 ILE 8 -2.579 -5.659 -4.007 5 HG13 ILE 8 HG13 ILE 8 -3.053 -4.270 -3.052 6 HG21 ILE 8 HG21 ILE 8 -1.320 -2.651 -3.986 7 HG22 ILE 8 HG22 ILE 8 -0.713 -4.235 -4.464 8 HG23 ILE 8 HG23 ILE 8 -0.834 -2.946 -5.657 9 HD11 ILE 8 HD11 ILE 8 -4.808 -5.585 -5.091 10 HD12 ILE 8 HD12 ILE 8 -4.808 -5.965 -3.366 11 HD13 ILE 8 HD13 ILE 8 -5.263 -4.348 -3.916 No H/Q in entry = 11 In of MODEL 21 1 H GLN 9 H GLN 9 -2.665 -0.347 -4.620 2 HA GLN 9 HA GLN 9 -1.139 0.005 -7.105 3 HB2 GLN 9 HB2 GLN 9 -2.817 2.069 -5.683 4 HB3 GLN 9 HB3 GLN 9 -1.594 2.478 -6.896 5 HG2 GLN 9 HG2 GLN 9 -2.798 1.351 -8.589 6 HG3 GLN 9 HG3 GLN 9 -3.894 0.622 -7.416 7 HE21 GLN 9 HE21 GLN 9 -5.685 1.406 -8.324 8 HE22 GLN 9 HE22 GLN 9 -6.137 3.080 -8.317 No H/Q in entry = 8 In of MODEL 21 1 H VAL 10 H VAL 10 0.959 0.081 -6.579 2 HA VAL 10 HA VAL 10 1.679 1.185 -3.945 3 HB VAL 10 HB VAL 10 3.326 -0.958 -5.250 4 HG11 VAL 10 HG11 VAL 10 4.290 0.279 -3.377 5 HG12 VAL 10 HG12 VAL 10 2.938 -0.219 -2.356 6 HG13 VAL 10 HG13 VAL 10 4.059 -1.425 -2.988 7 HG21 VAL 10 HG21 VAL 10 0.968 -1.508 -3.477 8 HG22 VAL 10 HG22 VAL 10 1.139 -1.946 -5.174 9 HG23 VAL 10 HG23 VAL 10 2.189 -2.690 -3.965 No H/Q in entry = 9 In of MODEL 21 1 H TYR 11 H TYR 11 3.115 2.795 -4.022 2 HA TYR 11 HA TYR 11 5.292 2.778 -5.871 3 HB2 TYR 11 HB2 TYR 11 4.831 4.874 -7.019 4 HB3 TYR 11 HB3 TYR 11 3.532 3.735 -7.327 5 HD1 TYR 11 HD1 TYR 11 1.286 4.170 -6.510 6 HD2 TYR 11 HD2 TYR 11 4.466 6.866 -5.669 7 HE1 TYR 11 HE1 TYR 11 -0.350 5.890 -5.862 8 HE2 TYR 11 HE2 TYR 11 2.844 8.590 -5.011 9 HH TYR 11 HH TYR 11 -0.378 7.956 -4.389 No H/Q in entry = 9 In of MODEL 21 1 H SER 12 H SER 12 6.675 4.789 -5.524 2 HA SER 12 HA SER 12 6.750 5.256 -2.649 3 HB2 SER 12 HB2 SER 12 8.824 4.602 -3.848 4 HB3 SER 12 HB3 SER 12 8.731 6.097 -4.775 5 HG SER 12 HG SER 12 9.885 5.771 -2.461 No H/Q in entry = 5 In of MODEL 21 1 H ARG 13 H ARG 13 6.554 7.234 -1.666 2 HA ARG 13 HA ARG 13 4.837 9.130 -2.871 3 HB2 ARG 13 HB2 ARG 13 5.587 8.673 -0.357 4 HB3 ARG 13 HB3 ARG 13 6.715 9.971 -0.688 5 HG2 ARG 13 HG2 ARG 13 3.702 10.061 -0.624 6 HG3 ARG 13 HG3 ARG 13 4.838 10.962 0.365 7 HD2 ARG 13 HD2 ARG 13 4.875 12.654 -1.116 8 HD3 ARG 13 HD3 ARG 13 5.205 11.532 -2.443 9 HE ARG 13 HE ARG 13 2.463 11.732 -1.470 10 HH11 ARG 13 HH11 ARG 13 4.820 12.395 -3.972 11 HH12 ARG 13 HH12 ARG 13 3.642 12.942 -5.125 12 HH21 ARG 13 HH21 ARG 13 0.903 12.445 -2.963 13 HH22 ARG 13 HH22 ARG 13 1.399 12.953 -4.558 No H/Q in entry = 13 In of MODEL 21 1 H HIS 14 H HIS 14 8.357 9.189 -2.440 2 HA HIS 14 HA HIS 14 8.506 11.331 -4.458 3 HB2 HIS 14 HB2 HIS 14 10.017 11.130 -1.846 4 HB3 HIS 14 HB3 HIS 14 10.599 12.128 -3.167 5 HD2 HIS 14 HD2 HIS 14 7.129 12.959 -3.542 6 HE1 HIS 14 HE1 HIS 14 8.272 15.169 -0.119 7 HE2 HIS 14 HE2 HIS 14 6.622 15.007 -2.030 No H/Q in entry = 7 In of MODEL 21 1 HA PRO 15 HA PRO 15 11.855 9.052 -6.511 2 HB2 PRO 15 HB2 PRO 15 14.250 10.308 -5.747 3 HB3 PRO 15 HB3 PRO 15 13.284 10.674 -7.190 4 HG2 PRO 15 HG2 PRO 15 13.358 12.102 -4.540 5 HG3 PRO 15 HG3 PRO 15 13.103 12.759 -6.189 6 HD2 PRO 15 HD2 PRO 15 11.062 12.457 -4.453 7 HD3 PRO 15 HD3 PRO 15 10.851 12.184 -6.209 No H/Q in entry = 7 In of MODEL 21 1 H ALA 16 H ALA 16 12.757 7.169 -6.016 2 HA ALA 16 HA ALA 16 13.267 6.596 -3.195 3 HB1 ALA 16 HB1 ALA 16 11.694 5.173 -4.399 4 HB2 ALA 16 HB2 ALA 16 12.968 4.725 -5.532 5 HB3 ALA 16 HB3 ALA 16 13.094 4.261 -3.836 No H/Q in entry = 5 In of MODEL 21 1 H GLU 17 H GLU 17 15.336 6.829 -2.555 2 HA GLU 17 HA GLU 17 17.456 6.025 -4.418 3 HB2 GLU 17 HB2 GLU 17 17.264 8.203 -2.409 4 HB3 GLU 17 HB3 GLU 17 18.814 7.382 -2.507 5 HG2 GLU 17 HG2 GLU 17 18.831 9.326 -3.910 6 HG3 GLU 17 HG3 GLU 17 18.936 7.862 -4.893 No H/Q in entry = 6 In of MODEL 21 1 H ASN 18 H ASN 18 18.886 4.525 -3.904 2 HA ASN 18 HA ASN 18 18.431 2.877 -1.592 3 HB2 ASN 18 HB2 ASN 18 19.134 1.603 -3.382 4 HB3 ASN 18 HB3 ASN 18 20.314 2.795 -3.925 5 HD21 ASN 18 HD21 ASN 18 21.953 1.301 -4.105 6 HD22 ASN 18 HD22 ASN 18 22.711 0.573 -2.730 No H/Q in entry = 6 In of MODEL 21 1 H GLY 19 H GLY 19 19.257 3.055 0.310 2 HA2 GLY 19 HA2 GLY 19 21.799 4.386 0.808 3 HA3 GLY 19 HA3 GLY 19 20.757 3.613 2.015 No H/Q in entry = 3 In of MODEL 21 1 H LYS 20 H LYS 20 18.502 5.216 0.609 2 HA LYS 20 HA LYS 20 18.966 7.729 2.047 3 HB2 LYS 20 HB2 LYS 20 19.365 8.061 -0.319 4 HB3 LYS 20 HB3 LYS 20 17.845 7.303 -0.711 5 HG2 LYS 20 HG2 LYS 20 17.947 9.830 0.893 6 HG3 LYS 20 HG3 LYS 20 18.037 9.850 -0.848 7 HD2 LYS 20 HD2 LYS 20 15.920 8.389 -0.726 8 HD3 LYS 20 HD3 LYS 20 15.802 9.052 0.882 9 HE2 LYS 20 HE2 LYS 20 14.472 10.401 -0.653 10 HE3 LYS 20 HE3 LYS 20 15.829 11.340 -0.026 11 HZ1 LYS 20 HZ1 LYS 20 15.728 10.013 -2.696 12 HZ2 LYS 20 HZ2 LYS 20 15.529 11.668 -2.399 13 HZ3 LYS 20 HZ3 LYS 20 17.020 10.929 -2.092 No H/Q in entry = 13 In of MODEL 21 1 H SER 21 H SER 21 17.102 8.696 2.911 2 HA SER 21 HA SER 21 15.204 6.710 3.751 3 HB2 SER 21 HB2 SER 21 16.015 8.292 5.408 4 HB3 SER 21 HB3 SER 21 15.443 9.635 4.428 5 HG SER 21 HG SER 21 14.088 8.840 6.277 No H/Q in entry = 5 In of MODEL 21 1 H ASN 22 H ASN 22 13.153 6.458 3.094 2 HA ASN 22 HA ASN 22 12.153 8.274 1.015 3 HB2 ASN 22 HB2 ASN 22 13.487 6.160 0.161 4 HB3 ASN 22 HB3 ASN 22 12.110 5.252 0.754 5 HD21 ASN 22 HD21 ASN 22 11.703 8.425 -0.743 6 HD22 ASN 22 HD22 ASN 22 10.958 7.798 -2.177 No H/Q in entry = 6 In of MODEL 21 1 H PHE 23 H PHE 23 9.791 7.835 0.598 2 HA PHE 23 HA PHE 23 8.494 6.698 2.990 3 HB2 PHE 23 HB2 PHE 23 7.736 9.096 1.327 4 HB3 PHE 23 HB3 PHE 23 6.607 8.318 2.423 5 HD1 PHE 23 HD1 PHE 23 6.408 9.149 4.540 6 HD2 PHE 23 HD2 PHE 23 10.026 9.823 2.406 7 HE1 PHE 23 HE1 PHE 23 7.206 10.597 6.364 8 HE2 PHE 23 HE2 PHE 23 10.838 11.265 4.226 9 HZ PHE 23 HZ PHE 23 9.430 11.638 6.215 No H/Q in entry = 9 In of MODEL 21 1 H LEU 24 H LEU 24 7.363 4.911 2.520 2 HA LEU 24 HA LEU 24 6.790 4.188 -0.218 3 HB2 LEU 24 HB2 LEU 24 7.149 2.823 2.150 4 HB3 LEU 24 HB3 LEU 24 5.438 2.635 1.851 5 HG LEU 24 HG LEU 24 7.727 1.723 0.078 6 HD11 LEU 24 HD11 LEU 24 5.560 0.222 1.552 7 HD12 LEU 24 HD12 LEU 24 6.767 -0.500 0.489 8 HD13 LEU 24 HD13 LEU 24 7.269 0.285 1.986 9 HD21 LEU 24 HD21 LEU 24 4.759 1.592 -0.487 10 HD22 LEU 24 HD22 LEU 24 5.948 2.558 -1.364 11 HD23 LEU 24 HD23 LEU 24 6.022 0.795 -1.425 No H/Q in entry = 11 In of MODEL 21 1 H ASN 25 H ASN 25 4.656 3.686 -0.976 2 HA ASN 25 HA ASN 25 2.458 4.847 0.538 3 HB2 ASN 25 HB2 ASN 25 3.180 6.674 -0.881 4 HB3 ASN 25 HB3 ASN 25 3.228 5.619 -2.288 5 HD21 ASN 25 HD21 ASN 25 1.292 4.932 -3.214 6 HD22 ASN 25 HD22 ASN 25 -0.191 5.773 -2.932 No H/Q in entry = 6 In of MODEL 21 1 H CYS 26 H CYS 26 0.758 3.469 0.509 2 HA CYS 26 HA CYS 26 0.350 1.872 -1.919 3 HB2 CYS 26 HB2 CYS 26 1.227 0.525 0.122 4 HB3 CYS 26 HB3 CYS 26 -0.411 0.743 0.755 No H/Q in entry = 4 In of MODEL 21 1 H TYR 27 H TYR 27 -1.627 1.983 -2.747 2 HA TYR 27 HA TYR 27 -3.680 3.449 -1.208 3 HB2 TYR 27 HB2 TYR 27 -2.497 4.038 -3.843 4 HB3 TYR 27 HB3 TYR 27 -4.250 4.028 -3.831 5 HD1 TYR 27 HD1 TYR 27 -5.491 5.755 -2.614 6 HD2 TYR 27 HD2 TYR 27 -1.241 5.766 -2.664 7 HE1 TYR 27 HE1 TYR 27 -5.490 8.111 -1.914 8 HE2 TYR 27 HE2 TYR 27 -1.235 8.115 -1.962 9 HH TYR 27 HH TYR 27 -2.817 10.080 -2.147 No H/Q in entry = 9 In of MODEL 21 1 H VAL 28 H VAL 28 -5.035 1.794 -0.742 2 HA VAL 28 HA VAL 28 -5.853 0.054 -2.978 3 HB VAL 28 HB VAL 28 -6.442 -0.513 -0.085 4 HG11 VAL 28 HG11 VAL 28 -7.651 -1.762 -1.797 5 HG12 VAL 28 HG12 VAL 28 -6.116 -2.267 -2.506 6 HG13 VAL 28 HG13 VAL 28 -6.561 -2.809 -0.885 7 HG21 VAL 28 HG21 VAL 28 -3.941 -1.262 -1.600 8 HG22 VAL 28 HG22 VAL 28 -4.040 -0.234 -0.166 9 HG23 VAL 28 HG23 VAL 28 -4.428 -1.952 -0.051 No H/Q in entry = 9 In of MODEL 21 1 H SER 29 H SER 29 -7.696 0.736 -3.876 2 HA SER 29 HA SER 29 -9.920 1.497 -2.177 3 HB2 SER 29 HB2 SER 29 -8.584 3.582 -2.576 4 HB3 SER 29 HB3 SER 29 -8.919 3.404 -4.294 5 HG SER 29 HG SER 29 -10.630 4.134 -2.201 No H/Q in entry = 5 In of MODEL 21 1 H GLY 30 H GLY 30 -11.746 2.357 -3.821 2 HA2 GLY 30 HA2 GLY 30 -11.863 0.499 -6.097 3 HA3 GLY 30 HA3 GLY 30 -12.866 1.930 -5.890 No H/Q in entry = 3 In of MODEL 21 1 H PHE 31 H PHE 31 -13.050 0.982 -2.946 2 HA PHE 31 HA PHE 31 -15.060 -1.127 -3.377 3 HB2 PHE 31 HB2 PHE 31 -14.246 -2.270 -1.360 4 HB3 PHE 31 HB3 PHE 31 -12.923 -2.088 -2.533 5 HD1 PHE 31 HD1 PHE 31 -11.295 -0.212 -2.230 6 HD2 PHE 31 HD2 PHE 31 -14.071 -1.336 0.787 7 HE1 PHE 31 HE1 PHE 31 -9.972 1.009 -0.572 8 HE2 PHE 31 HE2 PHE 31 -12.740 -0.125 2.464 9 HZ PHE 31 HZ PHE 31 -10.691 1.075 1.782 No H/Q in entry = 9 In of MODEL 21 1 H HIS 32 H HIS 32 -16.309 -1.441 -1.161 2 HA HIS 32 HA HIS 32 -16.344 0.988 0.469 3 HB2 HIS 32 HB2 HIS 32 -18.788 1.105 0.522 4 HB3 HIS 32 HB3 HIS 32 -18.186 1.315 -1.112 5 HD2 HIS 32 HD2 HIS 32 -20.195 -1.287 1.003 6 HE1 HIS 32 HE1 HIS 32 -20.671 -2.117 -3.118 7 HE2 HIS 32 HE2 HIS 32 -21.552 -2.598 -0.784 No H/Q in entry = 7 In of MODEL 21 1 HA PRO 33 HA PRO 33 -18.495 1.344 2.314 2 HB2 PRO 33 HB2 PRO 33 -17.583 1.859 4.851 3 HB3 PRO 33 HB3 PRO 33 -19.058 0.957 4.487 4 HG2 PRO 33 HG2 PRO 33 -16.333 -0.062 5.177 5 HG3 PRO 33 HG3 PRO 33 -17.920 -0.634 5.729 6 HD2 PRO 33 HD2 PRO 33 -16.550 -1.916 3.812 7 HD3 PRO 33 HD3 PRO 33 -18.321 -1.802 3.774 No H/Q in entry = 7 In of MODEL 21 1 H SER 34 H SER 34 -15.478 1.461 4.313 2 HA SER 34 HA SER 34 -14.133 2.918 2.207 3 HB2 SER 34 HB2 SER 34 -14.574 4.095 4.968 4 HB3 SER 34 HB3 SER 34 -13.717 4.849 3.621 5 HG SER 34 HG SER 34 -16.009 4.328 2.609 No H/Q in entry = 5 In of MODEL 21 1 H ASP 35 H ASP 35 -14.057 0.424 4.111 2 HA ASP 35 HA ASP 35 -11.450 0.946 5.381 3 HB2 ASP 35 HB2 ASP 35 -13.730 -0.762 6.390 4 HB3 ASP 35 HB3 ASP 35 -12.142 -0.672 7.140 No H/Q in entry = 4 In of MODEL 21 1 H ILE 36 H ILE 36 -9.833 -0.346 4.735 2 HA ILE 36 HA ILE 36 -10.387 -3.190 4.336 3 HB ILE 36 HB ILE 36 -10.251 -2.116 2.013 4 HG12 ILE 36 HG12 ILE 36 -8.531 -4.348 3.010 5 HG13 ILE 36 HG13 ILE 36 -9.927 -4.407 1.941 6 HG21 ILE 36 HG21 ILE 36 -7.373 -1.796 2.845 7 HG22 ILE 36 HG22 ILE 36 -7.991 -1.569 1.207 8 HG23 ILE 36 HG23 ILE 36 -8.500 -0.481 2.500 9 HD11 ILE 36 HD11 ILE 36 -7.216 -3.365 1.153 10 HD12 ILE 36 HD12 ILE 36 -7.792 -4.996 0.838 11 HD13 ILE 36 HD13 ILE 36 -8.598 -3.617 0.088 No H/Q in entry = 11 In of MODEL 21 1 H GLU 37 H GLU 37 -8.436 -4.491 4.752 2 HA GLU 37 HA GLU 37 -6.475 -2.991 6.314 3 HB2 GLU 37 HB2 GLU 37 -7.835 -4.961 7.302 4 HB3 GLU 37 HB3 GLU 37 -6.811 -5.968 6.286 5 HG2 GLU 37 HG2 GLU 37 -5.938 -5.889 8.547 6 HG3 GLU 37 HG3 GLU 37 -4.821 -5.099 7.431 No H/Q in entry = 6 In of MODEL 21 1 H VAL 38 H VAL 38 -4.697 -2.590 5.274 2 HA VAL 38 HA VAL 38 -3.646 -4.600 3.440 3 HB VAL 38 HB VAL 38 -3.898 -3.219 1.715 4 HG11 VAL 38 HG11 VAL 38 -5.639 -2.065 2.906 5 HG12 VAL 38 HG12 VAL 38 -4.454 -0.991 3.651 6 HG13 VAL 38 HG13 VAL 38 -4.723 -0.935 1.908 7 HG21 VAL 38 HG21 VAL 38 -1.939 -1.420 3.135 8 HG22 VAL 38 HG22 VAL 38 -1.543 -2.737 2.033 9 HG23 VAL 38 HG23 VAL 38 -2.377 -1.299 1.428 No H/Q in entry = 9 In of MODEL 21 1 H ASP 39 H ASP 39 -1.608 -5.071 3.649 2 HA ASP 39 HA ASP 39 -0.116 -3.717 5.798 3 HB2 ASP 39 HB2 ASP 39 -0.202 -5.583 7.033 4 HB3 ASP 39 HB3 ASP 39 -1.157 -6.371 5.790 No H/Q in entry = 4 In of MODEL 21 1 H LEU 40 H LEU 40 2.113 -3.629 5.584 2 HA LEU 40 HA LEU 40 2.963 -3.879 2.801 3 HB2 LEU 40 HB2 LEU 40 4.303 -2.289 4.978 4 HB3 LEU 40 HB3 LEU 40 4.628 -2.211 3.260 5 HG LEU 40 HG LEU 40 2.142 -1.230 4.654 6 HD11 LEU 40 HD11 LEU 40 4.430 0.221 3.329 7 HD12 LEU 40 HD12 LEU 40 2.954 0.980 3.926 8 HD13 LEU 40 HD13 LEU 40 4.057 0.187 5.052 9 HD21 LEU 40 HD21 LEU 40 2.878 -1.190 1.733 10 HD22 LEU 40 HD22 LEU 40 1.517 -2.034 2.478 11 HD23 LEU 40 HD23 LEU 40 1.558 -0.267 2.454 No H/Q in entry = 11 In of MODEL 21 1 H LEU 41 H LEU 41 4.810 -4.989 2.263 2 HA LEU 41 HA LEU 41 5.923 -6.646 4.427 3 HB2 LEU 41 HB2 LEU 41 5.922 -7.564 1.610 4 HB3 LEU 41 HB3 LEU 41 5.971 -8.492 3.068 5 HG LEU 41 HG LEU 41 3.538 -7.023 2.175 6 HD11 LEU 41 HD11 LEU 41 4.253 -8.749 0.533 7 HD12 LEU 41 HD12 LEU 41 4.152 -9.948 1.818 8 HD13 LEU 41 HD13 LEU 41 2.691 -9.109 1.278 9 HD21 LEU 41 HD21 LEU 41 3.637 -7.528 4.554 10 HD22 LEU 41 HD22 LEU 41 2.399 -8.495 3.752 11 HD23 LEU 41 HD23 LEU 41 3.945 -9.223 4.185 No H/Q in entry = 11 In of MODEL 21 1 H LYS 42 H LYS 42 8.007 -7.482 4.083 2 HA LYS 42 HA LYS 42 9.624 -6.161 2.037 3 HB2 LYS 42 HB2 LYS 42 10.522 -6.922 4.812 4 HB3 LYS 42 HB3 LYS 42 11.457 -6.048 3.608 5 HG2 LYS 42 HG2 LYS 42 9.661 -4.227 3.693 6 HG3 LYS 42 HG3 LYS 42 8.977 -5.119 5.030 7 HD2 LYS 42 HD2 LYS 42 11.870 -4.201 5.120 8 HD3 LYS 42 HD3 LYS 42 10.525 -3.172 5.646 9 HE2 LYS 42 HE2 LYS 42 9.849 -4.958 7.226 10 HE3 LYS 42 HE3 LYS 42 11.274 -5.877 6.741 11 HZ1 LYS 42 HZ1 LYS 42 12.588 -3.848 7.432 12 HZ2 LYS 42 HZ2 LYS 42 11.170 -3.289 8.181 13 HZ3 LYS 42 HZ3 LYS 42 11.879 -4.740 8.681 No H/Q in entry = 13 In of MODEL 21 1 H ASN 43 H ASN 43 10.001 -7.647 0.660 2 HA ASN 43 HA ASN 43 10.461 -9.606 -0.398 3 HB2 ASN 43 HB2 ASN 43 11.914 -10.037 2.196 4 HB3 ASN 43 HB3 ASN 43 11.859 -11.309 0.979 5 HD21 ASN 43 HD21 ASN 43 13.127 -8.185 1.816 6 HD22 ASN 43 HD22 ASN 43 14.247 -8.079 0.502 No H/Q in entry = 6 In of MODEL 21 1 H GLY 44 H GLY 44 8.694 -9.665 2.505 2 HA2 GLY 44 HA2 GLY 44 7.832 -12.412 2.267 3 HA3 GLY 44 HA3 GLY 44 6.622 -11.217 1.767 No H/Q in entry = 3 In of MODEL 21 1 H GLU 45 H GLU 45 8.635 -9.959 4.164 2 HA GLU 45 HA GLU 45 7.069 -11.024 6.377 3 HB2 GLU 45 HB2 GLU 45 8.773 -10.134 7.801 4 HB3 GLU 45 HB3 GLU 45 9.549 -10.909 6.429 5 HG2 GLU 45 HG2 GLU 45 10.048 -8.838 5.406 6 HG3 GLU 45 HG3 GLU 45 9.063 -7.960 6.572 No H/Q in entry = 6 In of MODEL 21 1 H ARG 46 H ARG 46 5.754 -9.854 7.618 2 HA ARG 46 HA ARG 46 4.564 -7.497 6.621 3 HB2 ARG 46 HB2 ARG 46 3.395 -9.155 8.024 4 HB3 ARG 46 HB3 ARG 46 4.420 -8.725 9.380 5 HG2 ARG 46 HG2 ARG 46 3.417 -6.618 9.572 6 HG3 ARG 46 HG3 ARG 46 2.613 -6.787 7.995 7 HD2 ARG 46 HD2 ARG 46 1.958 -8.202 10.569 8 HD3 ARG 46 HD3 ARG 46 0.882 -7.372 9.449 9 HE ARG 46 HE ARG 46 2.176 -9.779 8.472 10 HH11 ARG 46 HH11 ARG 46 -0.699 -8.234 9.743 11 HH12 ARG 46 HH12 ARG 46 -1.766 -9.487 9.181 12 HH21 ARG 46 HH21 ARG 46 0.777 -11.412 7.734 13 HH22 ARG 46 HH22 ARG 46 -0.931 -11.286 8.041 No H/Q in entry = 13 In of MODEL 21 1 H ILE 47 H ILE 47 4.991 -5.406 6.957 2 HA ILE 47 HA ILE 47 7.197 -4.618 8.674 3 HB ILE 47 HB ILE 47 5.370 -2.930 6.942 4 HG12 ILE 47 HG12 ILE 47 8.247 -3.689 6.444 5 HG13 ILE 47 HG13 ILE 47 6.884 -4.490 5.674 6 HG21 ILE 47 HG21 ILE 47 7.915 -2.213 8.400 7 HG22 ILE 47 HG22 ILE 47 7.042 -1.156 7.288 8 HG23 ILE 47 HG23 ILE 47 6.289 -1.663 8.801 9 HD11 ILE 47 HD11 ILE 47 7.390 -1.535 5.458 10 HD12 ILE 47 HD12 ILE 47 7.990 -2.709 4.290 11 HD13 ILE 47 HD13 ILE 47 6.258 -2.511 4.525 No H/Q in entry = 11 In of MODEL 21 1 H GLU 48 H GLU 48 6.939 -3.570 10.606 2 HA GLU 48 HA GLU 48 4.230 -3.530 11.674 3 HB2 GLU 48 HB2 GLU 48 5.983 -2.795 13.696 4 HB3 GLU 48 HB3 GLU 48 5.317 -4.387 13.439 5 HG2 GLU 48 HG2 GLU 48 7.573 -4.742 13.618 6 HG3 GLU 48 HG3 GLU 48 7.292 -4.688 11.898 No H/Q in entry = 6 In of MODEL 21 1 H LYS 49 H LYS 49 6.974 -1.410 11.145 2 HA LYS 49 HA LYS 49 5.874 0.912 12.236 3 HB2 LYS 49 HB2 LYS 49 7.958 0.754 10.072 4 HB3 LYS 49 HB3 LYS 49 7.766 2.002 11.299 5 HG2 LYS 49 HG2 LYS 49 8.042 -0.568 12.552 6 HG3 LYS 49 HG3 LYS 49 9.364 -0.294 11.419 7 HD2 LYS 49 HD2 LYS 49 9.982 1.742 12.488 8 HD3 LYS 49 HD3 LYS 49 8.526 1.730 13.481 9 HE2 LYS 49 HE2 LYS 49 10.678 1.020 14.622 10 HE3 LYS 49 HE3 LYS 49 9.303 -0.071 14.781 11 HZ1 LYS 49 HZ1 LYS 49 11.438 -0.415 12.746 12 HZ2 LYS 49 HZ2 LYS 49 11.451 -1.177 14.259 13 HZ3 LYS 49 HZ3 LYS 49 10.211 -1.515 13.159 No H/Q in entry = 13 In of MODEL 21 1 H VAL 50 H VAL 50 4.372 -0.588 9.974 2 HA VAL 50 HA VAL 50 3.851 1.492 8.069 3 HB VAL 50 HB VAL 50 2.168 -0.916 8.783 4 HG11 VAL 50 HG11 VAL 50 0.901 0.864 7.646 5 HG12 VAL 50 HG12 VAL 50 2.088 0.843 6.331 6 HG13 VAL 50 HG13 VAL 50 1.084 -0.576 6.634 7 HG21 VAL 50 HG21 VAL 50 4.282 -0.512 6.686 8 HG22 VAL 50 HG22 VAL 50 4.309 -1.648 8.034 9 HG23 VAL 50 HG23 VAL 50 3.164 -1.869 6.715 No H/Q in entry = 9 In of MODEL 21 1 H GLU 51 H GLU 51 2.457 3.134 8.231 2 HA GLU 51 HA GLU 51 0.354 2.963 10.261 3 HB2 GLU 51 HB2 GLU 51 2.043 5.418 9.742 4 HB3 GLU 51 HB3 GLU 51 0.647 5.338 10.812 5 HG2 GLU 51 HG2 GLU 51 1.867 3.649 12.170 6 HG3 GLU 51 HG3 GLU 51 3.283 3.933 11.156 No H/Q in entry = 6 In of MODEL 21 1 H HIS 52 H HIS 52 -1.509 4.007 9.766 2 HA HIS 52 HA HIS 52 -1.759 4.952 6.992 3 HB2 HIS 52 HB2 HIS 52 -4.186 4.424 7.144 4 HB3 HIS 52 HB3 HIS 52 -3.149 3.014 7.257 5 HD2 HIS 52 HD2 HIS 52 -2.794 2.207 10.110 6 HE1 HIS 52 HE1 HIS 52 -6.714 3.548 10.958 7 HE2 HIS 52 HE2 HIS 52 -4.857 1.974 11.664 No H/Q in entry = 7 In of MODEL 21 1 H SER 53 H SER 53 -2.284 6.980 6.656 2 HA SER 53 HA SER 53 -2.453 8.730 8.946 3 HB2 SER 53 HB2 SER 53 -2.513 10.499 7.025 4 HB3 SER 53 HB3 SER 53 -1.039 9.540 7.208 5 HG SER 53 HG SER 53 -3.004 9.463 5.219 No H/Q in entry = 5 In of MODEL 21 1 H ASP 54 H ASP 54 -4.008 10.818 7.911 2 HA ASP 54 HA ASP 54 -6.565 10.178 8.777 3 HB2 ASP 54 HB2 ASP 54 -5.635 12.493 8.546 4 HB3 ASP 54 HB3 ASP 54 -5.864 12.361 6.804 No H/Q in entry = 4 In of MODEL 21 1 H LEU 55 H LEU 55 -8.073 8.962 7.928 2 HA LEU 55 HA LEU 55 -7.774 7.378 5.740 3 HB2 LEU 55 HB2 LEU 55 -9.472 7.178 7.586 4 HB3 LEU 55 HB3 LEU 55 -10.459 8.335 6.714 5 HG LEU 55 HG LEU 55 -10.506 6.755 4.773 6 HD11 LEU 55 HD11 LEU 55 -8.488 5.484 5.306 7 HD12 LEU 55 HD12 LEU 55 -9.281 4.823 6.736 8 HD13 LEU 55 HD13 LEU 55 -9.893 4.432 5.129 9 HD21 LEU 55 HD21 LEU 55 -12.349 6.899 6.393 10 HD22 LEU 55 HD22 LEU 55 -12.163 5.277 5.727 11 HD23 LEU 55 HD23 LEU 55 -11.586 5.632 7.354 No H/Q in entry = 11 In of MODEL 21 1 H SER 56 H SER 56 -10.435 9.702 5.582 2 HA SER 56 HA SER 56 -9.559 11.239 3.451 3 HB2 SER 56 HB2 SER 56 -11.092 10.184 1.619 4 HB3 SER 56 HB3 SER 56 -9.533 9.415 1.940 5 HG SER 56 HG SER 56 -10.517 7.729 2.790 No H/Q in entry = 5 In of MODEL 21 1 H PHE 57 H PHE 57 -11.091 12.734 2.758 2 HA PHE 57 HA PHE 57 -13.541 12.818 4.343 3 HB2 PHE 57 HB2 PHE 57 -13.747 15.143 3.591 4 HB3 PHE 57 HB3 PHE 57 -12.164 14.860 4.301 5 HD1 PHE 57 HD1 PHE 57 -13.946 16.112 1.500 6 HD2 PHE 57 HD2 PHE 57 -10.225 14.405 2.662 7 HE1 PHE 57 HE1 PHE 57 -12.893 17.038 -0.522 8 HE2 PHE 57 HE2 PHE 57 -9.167 15.326 0.642 9 HZ PHE 57 HZ PHE 57 -10.501 16.644 -0.952 No H/Q in entry = 9 In of MODEL 21 1 H SER 58 H SER 58 -15.574 13.386 3.302 2 HA SER 58 HA SER 58 -16.155 11.587 1.203 3 HB2 SER 58 HB2 SER 58 -17.835 13.875 2.260 4 HB3 SER 58 HB3 SER 58 -18.421 12.499 1.324 5 HG SER 58 HG SER 58 -16.984 11.753 3.538 No H/Q in entry = 5 In of MODEL 21 1 H LYS 59 H LYS 59 -16.772 11.979 -0.963 2 HA LYS 59 HA LYS 59 -16.199 14.577 -2.085 3 HB2 LYS 59 HB2 LYS 59 -14.529 12.148 -2.754 4 HB3 LYS 59 HB3 LYS 59 -14.567 13.607 -3.733 5 HG2 LYS 59 HG2 LYS 59 -13.677 14.901 -1.878 6 HG3 LYS 59 HG3 LYS 59 -13.684 13.463 -0.855 7 HD2 LYS 59 HD2 LYS 59 -12.086 13.816 -3.392 8 HD3 LYS 59 HD3 LYS 59 -11.450 13.925 -1.749 9 HE2 LYS 59 HE2 LYS 59 -12.783 11.484 -2.912 10 HE3 LYS 59 HE3 LYS 59 -11.039 11.734 -2.848 11 HZ1 LYS 59 HZ1 LYS 59 -12.674 11.875 -0.392 12 HZ2 LYS 59 HZ2 LYS 59 -12.142 10.387 -1.000 13 HZ3 LYS 59 HZ3 LYS 59 -11.011 11.561 -0.556 No H/Q in entry = 13 In of MODEL 21 1 H ASP 60 H ASP 60 -15.959 11.526 -3.888 2 HA ASP 60 HA ASP 60 -18.582 12.097 -5.057 3 HB2 ASP 60 HB2 ASP 60 -16.697 11.958 -6.634 4 HB3 ASP 60 HB3 ASP 60 -16.314 10.345 -6.044 No H/Q in entry = 4 In of MODEL 21 1 H TRP 61 H TRP 61 -16.642 9.169 -4.454 2 HA TRP 61 HA TRP 61 -18.499 8.108 -2.575 3 HB2 TRP 61 HB2 TRP 61 -19.805 7.623 -4.572 4 HB3 TRP 61 HB3 TRP 61 -18.421 6.827 -5.315 5 HD1 TRP 61 HD1 TRP 61 -18.333 4.276 -5.011 6 HE1 TRP 61 HE1 TRP 61 -19.442 2.563 -3.437 7 HE3 TRP 61 HE3 TRP 61 -20.788 7.503 -1.907 8 HZ2 TRP 61 HZ2 TRP 61 -21.125 2.578 -1.178 9 HZ3 TRP 61 HZ3 TRP 61 -22.121 6.594 -0.061 10 HH2 TRP 61 HH2 TRP 61 -22.290 4.149 0.302 No H/Q in entry = 10 In of MODEL 21 1 H SER 62 H SER 62 -15.939 7.308 -4.912 2 HA SER 62 HA SER 62 -14.933 5.132 -3.402 3 HB2 SER 62 HB2 SER 62 -13.528 6.871 -5.463 4 HB3 SER 62 HB3 SER 62 -12.951 5.292 -4.902 5 HG SER 62 HG SER 62 -15.365 5.850 -6.312 No H/Q in entry = 5 In of MODEL 21 1 H PHE 63 H PHE 63 -14.569 5.687 -1.271 2 HA PHE 63 HA PHE 63 -12.861 7.902 -0.578 3 HB2 PHE 63 HB2 PHE 63 -13.743 5.553 1.132 4 HB3 PHE 63 HB3 PHE 63 -12.967 7.013 1.720 5 HD1 PHE 63 HD1 PHE 63 -16.079 5.621 0.310 6 HD2 PHE 63 HD2 PHE 63 -14.247 9.004 2.150 7 HE1 PHE 63 HE1 PHE 63 -18.304 6.587 0.743 8 HE2 PHE 63 HE2 PHE 63 -16.483 9.978 2.577 9 HZ PHE 63 HZ PHE 63 -18.500 8.767 1.864 No H/Q in entry = 9 In of MODEL 21 1 H TYR 64 H TYR 64 -10.733 7.837 -0.024 2 HA TYR 64 HA TYR 64 -9.322 5.418 -0.913 3 HB2 TYR 64 HB2 TYR 64 -8.198 8.228 -0.633 4 HB3 TYR 64 HB3 TYR 64 -7.431 6.860 -1.425 5 HD1 TYR 64 HD1 TYR 64 -10.222 9.278 -1.695 6 HD2 TYR 64 HD2 TYR 64 -7.806 6.427 -3.731 7 HE1 TYR 64 HE1 TYR 64 -11.124 10.058 -3.845 8 HE2 TYR 64 HE2 TYR 64 -8.703 7.206 -5.892 9 HH TYR 64 HH TYR 64 -10.769 8.349 -6.725 No H/Q in entry = 9 In of MODEL 21 1 H LEU 65 H LEU 65 -7.740 4.509 0.417 2 HA LEU 65 HA LEU 65 -7.110 5.962 2.889 3 HB2 LEU 65 HB2 LEU 65 -6.974 3.876 4.087 4 HB3 LEU 65 HB3 LEU 65 -8.524 3.945 3.305 5 HG LEU 65 HG LEU 65 -6.661 2.697 1.558 6 HD11 LEU 65 HD11 LEU 65 -6.976 1.378 4.241 7 HD12 LEU 65 HD12 LEU 65 -6.396 0.600 2.773 8 HD13 LEU 65 HD13 LEU 65 -5.459 1.905 3.495 9 HD21 LEU 65 HD21 LEU 65 -9.121 2.682 1.570 10 HD22 LEU 65 HD22 LEU 65 -8.394 1.076 1.504 11 HD23 LEU 65 HD23 LEU 65 -9.041 1.684 3.028 No H/Q in entry = 11 In of MODEL 21 1 H LEU 66 H LEU 66 -5.011 5.415 3.691 2 HA LEU 66 HA LEU 66 -3.077 4.822 1.554 3 HB2 LEU 66 HB2 LEU 66 -3.595 7.342 2.173 4 HB3 LEU 66 HB3 LEU 66 -2.491 7.006 3.480 5 HG LEU 66 HG LEU 66 -1.846 6.654 0.579 6 HD11 LEU 66 HD11 LEU 66 -1.095 8.852 2.500 7 HD12 LEU 66 HD12 LEU 66 -0.405 8.646 0.892 8 HD13 LEU 66 HD13 LEU 66 -2.122 9.004 1.074 9 HD21 LEU 66 HD21 LEU 66 -0.105 6.468 3.018 10 HD22 LEU 66 HD22 LEU 66 -0.546 5.155 1.932 11 HD23 LEU 66 HD23 LEU 66 0.484 6.468 1.360 No H/Q in entry = 11 In of MODEL 21 1 H TYR 67 H TYR 67 -1.716 3.277 2.211 2 HA TYR 67 HA TYR 67 -1.011 3.159 5.070 3 HB2 TYR 67 HB2 TYR 67 -1.610 0.960 3.150 4 HB3 TYR 67 HB3 TYR 67 -0.392 0.685 4.394 5 HD1 TYR 67 HD1 TYR 67 -3.967 1.272 3.773 6 HD2 TYR 67 HD2 TYR 67 -1.013 0.485 6.723 7 HE1 TYR 67 HE1 TYR 67 -5.742 0.735 5.353 8 HE2 TYR 67 HE2 TYR 67 -2.779 -0.078 8.341 9 HH TYR 67 HH TYR 67 -6.030 -0.559 7.407 No H/Q in entry = 9 In of MODEL 21 1 H TYR 68 H TYR 68 0.972 3.770 5.459 2 HA TYR 68 HA TYR 68 3.016 3.309 3.402 3 HB2 TYR 68 HB2 TYR 68 3.816 5.612 3.584 4 HB3 TYR 68 HB3 TYR 68 2.126 5.601 3.090 5 HD1 TYR 68 HD1 TYR 68 0.424 6.573 4.480 6 HD2 TYR 68 HD2 TYR 68 4.438 6.332 5.868 7 HE1 TYR 68 HE1 TYR 68 -0.122 8.131 6.307 8 HE2 TYR 68 HE2 TYR 68 3.902 7.875 7.705 9 HH TYR 68 HH TYR 68 0.709 8.680 8.550 No H/Q in entry = 9 In of MODEL 21 1 H THR 69 H THR 69 5.207 3.736 4.183 2 HA THR 69 HA THR 69 5.616 3.820 7.058 3 HB THR 69 HB THR 69 5.286 1.396 6.624 4 HG1 THR 69 HG1 THR 69 6.673 1.944 8.297 5 HG21 THR 69 HG21 THR 69 7.642 1.756 4.766 6 HG22 THR 69 HG22 THR 69 7.122 0.191 5.388 7 HG23 THR 69 HG23 THR 69 6.036 1.135 4.367 No H/Q in entry = 7 In of MODEL 21 1 H GLU 70 H GLU 70 7.657 4.575 7.594 2 HA GLU 70 HA GLU 70 9.205 5.719 5.436 3 HB2 GLU 70 HB2 GLU 70 8.791 6.909 7.639 4 HB3 GLU 70 HB3 GLU 70 9.844 5.727 8.402 5 HG2 GLU 70 HG2 GLU 70 11.684 6.462 6.932 6 HG3 GLU 70 HG3 GLU 70 10.620 7.692 6.262 No H/Q in entry = 6 In of MODEL 21 1 H PHE 71 H PHE 71 11.114 4.933 4.658 2 HA PHE 71 HA PHE 71 12.320 2.641 5.923 3 HB2 PHE 71 HB2 PHE 71 12.066 1.116 4.046 4 HB3 PHE 71 HB3 PHE 71 10.489 1.592 4.651 5 HD1 PHE 71 HD1 PHE 71 11.375 0.387 1.948 6 HD2 PHE 71 HD2 PHE 71 10.446 4.327 3.222 7 HE1 PHE 71 HE1 PHE 71 10.687 0.935 -0.338 8 HE2 PHE 71 HE2 PHE 71 9.765 4.905 0.917 9 HZ PHE 71 HZ PHE 71 9.898 3.210 -0.874 No H/Q in entry = 9 In of MODEL 21 1 H THR 72 H THR 72 14.354 2.037 4.868 2 HA THR 72 HA THR 72 15.402 4.184 3.156 3 HB THR 72 HB THR 72 17.041 2.556 5.106 4 HG1 THR 72 HG1 THR 72 15.329 4.534 5.606 5 HG21 THR 72 HG21 THR 72 18.283 3.506 3.199 6 HG22 THR 72 HG22 THR 72 17.657 5.109 3.592 7 HG23 THR 72 HG23 THR 72 18.737 4.281 4.717 No H/Q in entry = 7 In of MODEL 21 1 HA PRO 73 HA PRO 73 15.202 0.337 0.577 2 HB2 PRO 73 HB2 PRO 73 15.865 1.944 -1.666 3 HB3 PRO 73 HB3 PRO 73 14.253 1.369 -1.214 4 HG2 PRO 73 HG2 PRO 73 15.551 3.999 -0.731 5 HG3 PRO 73 HG3 PRO 73 13.835 3.633 -1.009 6 HD2 PRO 73 HD2 PRO 73 14.753 4.254 1.428 7 HD3 PRO 73 HD3 PRO 73 13.488 3.019 1.213 No H/Q in entry = 7 In of MODEL 21 1 H THR 74 H THR 74 16.737 -0.854 -0.418 2 HA THR 74 HA THR 74 19.427 0.259 -0.677 3 HB THR 74 HB THR 74 20.478 -1.653 0.349 4 HG1 THR 74 HG1 THR 74 17.815 -2.637 0.539 5 HG21 THR 74 HG21 THR 74 18.261 -0.651 2.144 6 HG22 THR 74 HG22 THR 74 19.725 -1.471 2.688 7 HG23 THR 74 HG23 THR 74 19.834 0.113 1.918 No H/Q in entry = 7 In of MODEL 21 1 H GLU 75 H GLU 75 20.808 -1.334 -1.939 2 HA GLU 75 HA GLU 75 19.703 -2.077 -4.355 3 HB2 GLU 75 HB2 GLU 75 22.154 -1.840 -3.619 4 HB3 GLU 75 HB3 GLU 75 22.035 -3.499 -3.085 5 HG2 GLU 75 HG2 GLU 75 21.512 -2.610 -5.902 6 HG3 GLU 75 HG3 GLU 75 23.074 -3.156 -5.312 No H/Q in entry = 6 In of MODEL 21 1 H LYS 76 H LYS 76 20.090 -3.988 -1.417 2 HA LYS 76 HA LYS 76 19.429 -6.404 -2.844 3 HB2 LYS 76 HB2 LYS 76 20.579 -5.863 -0.129 4 HB3 LYS 76 HB3 LYS 76 20.191 -7.480 -0.701 5 HG2 LYS 76 HG2 LYS 76 21.997 -7.582 -2.034 6 HG3 LYS 76 HG3 LYS 76 21.839 -5.905 -2.545 7 HD2 LYS 76 HD2 LYS 76 22.718 -5.261 -0.269 8 HD3 LYS 76 HD3 LYS 76 23.112 -6.970 -0.041 9 HE2 LYS 76 HE2 LYS 76 24.139 -5.175 -2.245 10 HE3 LYS 76 HE3 LYS 76 25.062 -5.746 -0.857 11 HZ1 LYS 76 HZ1 LYS 76 23.870 -7.518 -2.922 12 HZ2 LYS 76 HZ2 LYS 76 25.482 -7.005 -2.913 13 HZ3 LYS 76 HZ3 LYS 76 24.899 -7.981 -1.656 No H/Q in entry = 13 In of MODEL 21 1 H ASP 77 H ASP 77 17.868 -4.261 -0.558 2 HA ASP 77 HA ASP 77 16.166 -6.477 0.302 3 HB2 ASP 77 HB2 ASP 77 15.297 -5.076 2.039 4 HB3 ASP 77 HB3 ASP 77 17.040 -4.876 2.033 No H/Q in entry = 4 In of MODEL 21 1 H GLU 78 H GLU 78 13.758 -6.044 0.429 2 HA GLU 78 HA GLU 78 12.760 -4.607 -1.907 3 HB2 GLU 78 HB2 GLU 78 13.559 -6.874 -2.650 4 HB3 GLU 78 HB3 GLU 78 12.358 -7.596 -1.602 5 HG2 GLU 78 HG2 GLU 78 11.380 -7.642 -3.714 6 HG3 GLU 78 HG3 GLU 78 10.654 -6.217 -2.980 No H/Q in entry = 6 In of MODEL 21 1 H TYR 79 H TYR 79 10.552 -4.171 -1.747 2 HA TYR 79 HA TYR 79 9.245 -5.177 0.672 3 HB2 TYR 79 HB2 TYR 79 8.664 -2.384 -0.273 4 HB3 TYR 79 HB3 TYR 79 8.467 -3.085 1.334 5 HD1 TYR 79 HD1 TYR 79 9.914 -2.411 2.982 6 HD2 TYR 79 HD2 TYR 79 11.238 -2.258 -1.061 7 HE1 TYR 79 HE1 TYR 79 12.010 -1.333 3.708 8 HE2 TYR 79 HE2 TYR 79 13.339 -1.220 -0.338 9 HH TYR 79 HH TYR 79 14.601 -1.287 2.394 No H/Q in entry = 9 In of MODEL 21 1 H ALA 80 H ALA 80 6.876 -5.029 0.684 2 HA ALA 80 HA ALA 80 5.663 -5.091 -1.993 3 HB1 ALA 80 HB1 ALA 80 6.449 -7.394 -1.401 4 HB2 ALA 80 HB2 ALA 80 4.709 -7.260 -1.663 5 HB3 ALA 80 HB3 ALA 80 5.350 -7.348 -0.022 No H/Q in entry = 5 In of MODEL 21 1 H CYS 81 H CYS 81 3.276 -5.222 -1.877 2 HA CYS 81 HA CYS 81 2.242 -4.227 0.702 3 HB2 CYS 81 HB2 CYS 81 2.317 -2.401 -1.080 4 HB3 CYS 81 HB3 CYS 81 1.142 -3.365 -1.987 No H/Q in entry = 4 In of MODEL 21 1 H ARG 82 H ARG 82 0.521 -5.272 1.495 2 HA ARG 82 HA ARG 82 -0.719 -7.414 -0.151 3 HB2 ARG 82 HB2 ARG 82 0.762 -7.984 1.938 4 HB3 ARG 82 HB3 ARG 82 -0.611 -7.385 2.860 5 HG2 ARG 82 HG2 ARG 82 -2.028 -9.038 1.584 6 HG3 ARG 82 HG3 ARG 82 -0.507 -9.765 1.037 7 HD2 ARG 82 HD2 ARG 82 -1.524 -9.496 3.862 8 HD3 ARG 82 HD3 ARG 82 -1.286 -10.976 2.945 9 HE ARG 82 HE ARG 82 0.872 -9.266 3.995 10 HH11 ARG 82 HH11 ARG 82 -0.329 -12.366 2.859 11 HH12 ARG 82 HH12 ARG 82 1.037 -13.263 3.444 12 HH21 ARG 82 HH21 ARG 82 2.681 -10.452 4.763 13 HH22 ARG 82 HH22 ARG 82 2.770 -12.169 4.501 No H/Q in entry = 13 In of MODEL 21 1 H VAL 83 H VAL 83 -3.009 -7.444 -0.166 2 HA VAL 83 HA VAL 83 -4.324 -5.811 1.892 3 HB VAL 83 HB VAL 83 -5.757 -4.700 0.503 4 HG11 VAL 83 HG11 VAL 83 -3.243 -4.970 -1.079 5 HG12 VAL 83 HG12 VAL 83 -4.455 -3.710 -1.300 6 HG13 VAL 83 HG13 VAL 83 -3.573 -3.828 0.224 7 HG21 VAL 83 HG21 VAL 83 -5.152 -6.675 -1.680 8 HG22 VAL 83 HG22 VAL 83 -6.649 -6.543 -0.754 9 HG23 VAL 83 HG23 VAL 83 -6.178 -5.252 -1.860 No H/Q in entry = 9 In of MODEL 21 1 H ASN 84 H ASN 84 -6.143 -6.564 2.706 2 HA ASN 84 HA ASN 84 -7.070 -9.185 1.757 3 HB2 ASN 84 HB2 ASN 84 -7.185 -8.115 4.590 4 HB3 ASN 84 HB3 ASN 84 -7.633 -9.729 4.066 5 HD21 ASN 84 HD21 ASN 84 -4.943 -7.533 4.536 6 HD22 ASN 84 HD22 ASN 84 -3.722 -8.758 4.650 No H/Q in entry = 6 In of MODEL 21 1 H HIS 85 H HIS 85 -9.081 -9.071 0.836 2 HA HIS 85 HA HIS 85 -11.158 -7.777 2.418 3 HB2 HIS 85 HB2 HIS 85 -10.281 -6.337 0.369 4 HB3 HIS 85 HB3 HIS 85 -11.279 -7.455 -0.554 5 HD2 HIS 85 HD2 HIS 85 -11.797 -4.852 2.382 6 HE1 HIS 85 HE1 HIS 85 -15.389 -5.375 0.204 7 HE2 HIS 85 HE2 HIS 85 -14.175 -3.935 1.897 No H/Q in entry = 7 In of MODEL 21 1 H VAL 86 H VAL 86 -13.328 -8.530 1.652 2 HA VAL 86 HA VAL 86 -13.343 -11.346 1.498 3 HB VAL 86 HB VAL 86 -15.112 -9.968 2.581 4 HG11 VAL 86 HG11 VAL 86 -15.343 -8.237 0.893 5 HG12 VAL 86 HG12 VAL 86 -15.991 -9.414 -0.248 6 HG13 VAL 86 HG13 VAL 86 -16.895 -9.008 1.211 7 HG21 VAL 86 HG21 VAL 86 -15.507 -12.323 2.064 8 HG22 VAL 86 HG22 VAL 86 -16.989 -11.378 1.926 9 HG23 VAL 86 HG23 VAL 86 -16.120 -11.876 0.473 No H/Q in entry = 9 In of MODEL 21 1 H THR 87 H THR 87 -13.314 -8.900 -0.973 2 HA THR 87 HA THR 87 -14.646 -10.409 -2.978 3 HB THR 87 HB THR 87 -13.807 -8.726 -4.540 4 HG1 THR 87 HG1 THR 87 -11.790 -8.200 -3.905 5 HG21 THR 87 HG21 THR 87 -15.750 -8.197 -3.110 6 HG22 THR 87 HG22 THR 87 -14.653 -7.470 -1.933 7 HG23 THR 87 HG23 THR 87 -14.815 -6.762 -3.540 No H/Q in entry = 7 In of MODEL 21 1 H LEU 88 H LEU 88 -11.282 -9.851 -2.162 2 HA LEU 88 HA LEU 88 -10.258 -11.209 -4.446 3 HB2 LEU 88 HB2 LEU 88 -8.927 -10.466 -1.832 4 HB3 LEU 88 HB3 LEU 88 -8.077 -11.104 -3.226 5 HG LEU 88 HG LEU 88 -9.501 -8.447 -3.030 6 HD11 LEU 88 HD11 LEU 88 -6.591 -9.159 -3.422 7 HD12 LEU 88 HD12 LEU 88 -7.266 -7.525 -3.466 8 HD13 LEU 88 HD13 LEU 88 -7.320 -8.466 -1.967 9 HD21 LEU 88 HD21 LEU 88 -8.167 -9.727 -5.411 10 HD22 LEU 88 HD22 LEU 88 -9.886 -9.377 -5.233 11 HD23 LEU 88 HD23 LEU 88 -8.722 -8.055 -5.328 No H/Q in entry = 11 In of MODEL 21 1 H SER 89 H SER 89 -10.251 -13.324 -4.759 2 HA SER 89 HA SER 89 -11.173 -15.216 -2.931 3 HB2 SER 89 HB2 SER 89 -10.001 -16.851 -4.574 4 HB3 SER 89 HB3 SER 89 -11.306 -15.835 -5.189 5 HG SER 89 HG SER 89 -9.939 -14.834 -6.434 No H/Q in entry = 5 In of MODEL 21 1 H GLN 90 H GLN 90 -8.045 -13.865 -3.432 2 HA GLN 90 HA GLN 90 -7.196 -14.998 -0.920 3 HB2 GLN 90 HB2 GLN 90 -4.816 -15.015 -2.411 4 HB3 GLN 90 HB3 GLN 90 -5.713 -16.423 -1.865 5 HG2 GLN 90 HG2 GLN 90 -5.399 -16.832 -4.110 6 HG3 GLN 90 HG3 GLN 90 -7.021 -16.144 -4.078 7 HE21 GLN 90 HE21 GLN 90 -6.917 -15.453 -6.193 8 HE22 GLN 90 HE22 GLN 90 -5.919 -14.131 -6.701 No H/Q in entry = 8 In of MODEL 21 1 HA PRO 91 HA PRO 91 -5.996 -10.675 -0.297 2 HB2 PRO 91 HB2 PRO 91 -3.697 -12.205 0.914 3 HB3 PRO 91 HB3 PRO 91 -4.454 -10.701 1.481 4 HG2 PRO 91 HG2 PRO 91 -5.157 -12.951 2.625 5 HG3 PRO 91 HG3 PRO 91 -6.425 -11.798 2.129 6 HD2 PRO 91 HD2 PRO 91 -5.591 -14.394 0.858 7 HD3 PRO 91 HD3 PRO 91 -7.230 -13.670 0.970 No H/Q in entry = 7 In of MODEL 21 1 H LYS 92 H LYS 92 -4.423 -9.248 -1.160 2 HA LYS 92 HA LYS 92 -3.189 -10.501 -3.502 3 HB2 LYS 92 HB2 LYS 92 -5.133 -8.968 -3.894 4 HB3 LYS 92 HB3 LYS 92 -4.113 -7.663 -3.310 5 HG2 LYS 92 HG2 LYS 92 -4.063 -7.759 -5.741 6 HG3 LYS 92 HG3 LYS 92 -2.480 -8.166 -5.063 7 HD2 LYS 92 HD2 LYS 92 -2.950 -9.727 -6.789 8 HD3 LYS 92 HD3 LYS 92 -3.111 -10.554 -5.242 9 HE2 LYS 92 HE2 LYS 92 -4.933 -11.297 -6.511 10 HE3 LYS 92 HE3 LYS 92 -5.594 -10.086 -5.420 11 HZ1 LYS 92 HZ1 LYS 92 -5.364 -8.466 -7.298 12 HZ2 LYS 92 HZ2 LYS 92 -4.987 -9.777 -8.302 13 HZ3 LYS 92 HZ3 LYS 92 -6.502 -9.700 -7.549 No H/Q in entry = 13 In of MODEL 21 1 H ILE 93 H ILE 93 -1.043 -10.335 -3.678 2 HA ILE 93 HA ILE 93 0.333 -8.229 -2.149 3 HB ILE 93 HB ILE 93 1.438 -10.868 -3.089 4 HG12 ILE 93 HG12 ILE 93 0.605 -9.799 -0.422 5 HG13 ILE 93 HG13 ILE 93 0.301 -11.347 -1.171 6 HG21 ILE 93 HG21 ILE 93 3.102 -9.107 -3.285 7 HG22 ILE 93 HG22 ILE 93 2.800 -8.667 -1.599 8 HG23 ILE 93 HG23 ILE 93 3.475 -10.242 -1.982 9 HD11 ILE 93 HD11 ILE 93 2.932 -10.505 -0.159 10 HD12 ILE 93 HD12 ILE 93 1.754 -11.457 0.747 11 HD13 ILE 93 HD13 ILE 93 2.464 -12.102 -0.738 No H/Q in entry = 11 In of MODEL 21 1 H VAL 94 H VAL 94 1.335 -6.729 -3.263 2 HA VAL 94 HA VAL 94 2.373 -7.398 -5.923 3 HB VAL 94 HB VAL 94 1.107 -4.746 -5.189 4 HG11 VAL 94 HG11 VAL 94 3.036 -4.497 -6.671 5 HG12 VAL 94 HG12 VAL 94 2.331 -5.669 -7.784 6 HG13 VAL 94 HG13 VAL 94 1.530 -4.123 -7.508 7 HG21 VAL 94 HG21 VAL 94 -0.545 -6.523 -5.603 8 HG22 VAL 94 HG22 VAL 94 -0.576 -5.288 -6.863 9 HG23 VAL 94 HG23 VAL 94 0.207 -6.839 -7.166 No H/Q in entry = 9 In of MODEL 21 1 H LYS 95 H LYS 95 4.416 -6.764 -6.247 2 HA LYS 95 HA LYS 95 5.826 -5.939 -3.849 3 HB2 LYS 95 HB2 LYS 95 7.522 -7.190 -4.616 4 HB3 LYS 95 HB3 LYS 95 6.395 -7.765 -5.830 5 HG2 LYS 95 HG2 LYS 95 7.269 -6.349 -7.468 6 HG3 LYS 95 HG3 LYS 95 8.100 -5.342 -6.270 7 HD2 LYS 95 HD2 LYS 95 9.285 -7.580 -5.652 8 HD3 LYS 95 HD3 LYS 95 8.796 -8.060 -7.271 9 HE2 LYS 95 HE2 LYS 95 11.115 -6.879 -6.755 10 HE3 LYS 95 HE3 LYS 95 10.254 -6.648 -8.280 11 HZ1 LYS 95 HZ1 LYS 95 9.319 -4.594 -7.358 12 HZ2 LYS 95 HZ2 LYS 95 10.196 -4.828 -5.922 13 HZ3 LYS 95 HZ3 LYS 95 11.010 -4.554 -7.377 No H/Q in entry = 13 In of MODEL 21 1 H TRP 96 H TRP 96 7.198 -4.166 -3.720 2 HA TRP 96 HA TRP 96 6.081 -1.854 -4.956 3 HB2 TRP 96 HB2 TRP 96 6.893 -1.704 -2.676 4 HB3 TRP 96 HB3 TRP 96 8.521 -2.177 -3.163 5 HD1 TRP 96 HD1 TRP 96 6.061 0.725 -3.997 6 HE1 TRP 96 HE1 TRP 96 7.413 2.885 -4.180 7 HE3 TRP 96 HE3 TRP 96 10.727 -1.192 -3.189 8 HZ2 TRP 96 HZ2 TRP 96 10.108 3.695 -3.980 9 HZ3 TRP 96 HZ3 TRP 96 12.650 0.341 -3.206 10 HH2 TRP 96 HH2 TRP 96 12.341 2.753 -3.606 No H/Q in entry = 10 In of MODEL 21 1 H ASP 97 H ASP 97 6.530 -1.066 -6.863 2 HA ASP 97 HA ASP 97 9.186 -1.554 -8.025 3 HB2 ASP 97 HB2 ASP 97 8.186 -1.251 -10.209 4 HB3 ASP 97 HB3 ASP 97 7.242 -2.442 -9.323 No H/Q in entry = 4 In of MODEL 21 1 H ARG 98 H ARG 98 10.489 0.086 -8.383 2 HA ARG 98 HA ARG 98 9.454 2.801 -8.098 3 HB2 ARG 98 HB2 ARG 98 11.730 3.474 -7.788 4 HB3 ARG 98 HB3 ARG 98 11.492 2.033 -6.833 5 HG2 ARG 98 HG2 ARG 98 13.409 1.353 -7.731 6 HG3 ARG 98 HG3 ARG 98 12.430 0.977 -9.149 7 HD2 ARG 98 HD2 ARG 98 14.392 2.241 -9.812 8 HD3 ARG 98 HD3 ARG 98 12.936 3.208 -10.066 9 HE ARG 98 HE ARG 98 14.025 3.766 -7.520 10 HH11 ARG 98 HH11 ARG 98 14.589 4.347 -10.929 11 HH12 ARG 98 HH12 ARG 98 15.501 5.801 -10.662 12 HH21 ARG 98 HH21 ARG 98 15.238 5.686 -7.163 13 HH22 ARG 98 HH22 ARG 98 15.879 6.548 -8.525 No H/Q in entry = 13 In of MODEL 21 1 H ASP 99 H ASP 99 10.908 0.591 -10.324 2 HA ASP 99 HA ASP 99 10.010 2.169 -12.590 3 HB2 ASP 99 HB2 ASP 99 12.371 2.909 -12.011 4 HB3 ASP 99 HB3 ASP 99 12.885 1.270 -12.391 No H/Q in entry = 4 In of MODEL 21 1 H MET 100 H MET 100 10.377 -0.635 -10.999 2 HA MET 100 HA MET 100 11.284 -2.487 -12.919 3 HB2 MET 100 HB2 MET 100 9.465 -3.089 -10.580 4 HB3 MET 100 HB3 MET 100 10.581 -4.187 -11.381 5 HG2 MET 100 HG2 MET 100 11.333 -1.790 -9.726 6 HG3 MET 100 HG3 MET 100 11.439 -3.476 -9.229 7 HE1 MET 100 HE1 MET 100 12.508 -4.935 -11.793 8 HE2 MET 100 HE2 MET 100 14.251 -4.864 -11.538 9 HE3 MET 100 HE3 MET 100 13.175 -5.202 -10.183 No H/Q in entry = 9 In of MODEL 22 1 HA ILE 2 HA ILE 2 -21.154 -9.443 -4.200 2 HB ILE 2 HB ILE 2 -22.605 -7.420 -4.597 3 HG12 ILE 2 HG12 ILE 2 -24.198 -8.563 -2.284 4 HG13 ILE 2 HG13 ILE 2 -23.359 -7.013 -2.289 5 HG21 ILE 2 HG21 ILE 2 -23.016 -9.524 -5.724 6 HG22 ILE 2 HG22 ILE 2 -23.996 -10.085 -4.371 7 HG23 ILE 2 HG23 ILE 2 -24.541 -8.723 -5.350 8 HD11 ILE 2 HD11 ILE 2 -24.849 -6.228 -4.063 9 HD12 ILE 2 HD12 ILE 2 -25.700 -7.771 -4.021 10 HD13 ILE 2 HD13 ILE 2 -25.732 -6.708 -2.613 No H/Q in entry = 10 In of MODEL 22 1 H GLN 3 H GLN 3 -19.950 -7.564 -4.537 2 HA GLN 3 HA GLN 3 -19.458 -5.473 -2.786 3 HB2 GLN 3 HB2 GLN 3 -18.732 -7.378 -1.241 4 HB3 GLN 3 HB3 GLN 3 -17.448 -7.720 -2.386 5 HG2 GLN 3 HG2 GLN 3 -16.535 -6.440 -0.585 6 HG3 GLN 3 HG3 GLN 3 -16.577 -5.426 -2.027 7 HE21 GLN 3 HE21 GLN 3 -16.538 -3.531 -0.839 8 HE22 GLN 3 HE22 GLN 3 -17.902 -2.972 0.068 No H/Q in entry = 8 In of MODEL 22 1 H ARG 4 H ARG 4 -17.062 -4.617 -3.264 2 HA ARG 4 HA ARG 4 -16.552 -5.151 -6.107 3 HB2 ARG 4 HB2 ARG 4 -17.523 -2.947 -5.838 4 HB3 ARG 4 HB3 ARG 4 -16.395 -2.564 -4.544 5 HG2 ARG 4 HG2 ARG 4 -14.614 -2.232 -5.988 6 HG3 ARG 4 HG3 ARG 4 -15.351 -3.189 -7.286 7 HD2 ARG 4 HD2 ARG 4 -15.337 -0.723 -7.701 8 HD3 ARG 4 HD3 ARG 4 -16.946 -1.448 -7.742 9 HE ARG 4 HE ARG 4 -17.168 -0.590 -5.388 10 HH11 ARG 4 HH11 ARG 4 -15.039 0.931 -7.701 11 HH12 ARG 4 HH12 ARG 4 -15.101 2.489 -6.945 12 HH21 ARG 4 HH21 ARG 4 -17.250 1.454 -4.364 13 HH22 ARG 4 HH22 ARG 4 -16.355 2.787 -5.036 No H/Q in entry = 13 In of MODEL 22 1 H THR 5 H THR 5 -14.394 -5.417 -6.713 2 HA THR 5 HA THR 5 -12.733 -6.346 -4.598 3 HB THR 5 HB THR 5 -11.191 -7.113 -6.271 4 HG1 THR 5 HG1 THR 5 -11.725 -4.963 -7.542 5 HG21 THR 5 HG21 THR 5 -14.046 -7.378 -7.219 6 HG22 THR 5 HG22 THR 5 -12.695 -8.319 -7.852 7 HG23 THR 5 HG23 THR 5 -13.161 -8.475 -6.163 No H/Q in entry = 7 In of MODEL 22 1 HA PRO 6 HA PRO 6 -10.603 -2.415 -4.090 2 HB2 PRO 6 HB2 PRO 6 -8.959 -3.766 -2.119 3 HB3 PRO 6 HB3 PRO 6 -10.143 -2.482 -1.873 4 HG2 PRO 6 HG2 PRO 6 -10.468 -5.077 -1.018 5 HG3 PRO 6 HG3 PRO 6 -11.811 -3.949 -1.335 6 HD2 PRO 6 HD2 PRO 6 -10.770 -6.203 -3.006 7 HD3 PRO 6 HD3 PRO 6 -12.429 -5.574 -2.827 No H/Q in entry = 7 In of MODEL 22 1 H LYS 7 H LYS 7 -8.910 -1.807 -5.324 2 HA LYS 7 HA LYS 7 -7.115 -3.941 -6.235 3 HB2 LYS 7 HB2 LYS 7 -8.380 -2.839 -8.001 4 HB3 LYS 7 HB3 LYS 7 -7.786 -1.267 -7.489 5 HG2 LYS 7 HG2 LYS 7 -5.585 -1.757 -8.229 6 HG3 LYS 7 HG3 LYS 7 -5.970 -3.464 -8.448 7 HD2 LYS 7 HD2 LYS 7 -7.258 -1.228 -10.011 8 HD3 LYS 7 HD3 LYS 7 -5.867 -2.160 -10.572 9 HE2 LYS 7 HE2 LYS 7 -7.196 -4.217 -10.407 10 HE3 LYS 7 HE3 LYS 7 -8.583 -3.272 -9.873 11 HZ1 LYS 7 HZ1 LYS 7 -7.237 -2.801 -12.472 12 HZ2 LYS 7 HZ2 LYS 7 -8.522 -3.894 -12.291 13 HZ3 LYS 7 HZ3 LYS 7 -8.760 -2.245 -11.968 No H/Q in entry = 13 In of MODEL 22 1 H ILE 8 H ILE 8 -4.888 -3.554 -6.442 2 HA ILE 8 HA ILE 8 -3.905 -1.927 -4.210 3 HB ILE 8 HB ILE 8 -2.632 -4.245 -5.696 4 HG12 ILE 8 HG12 ILE 8 -2.739 -5.470 -3.639 5 HG13 ILE 8 HG13 ILE 8 -3.250 -4.044 -2.759 6 HG21 ILE 8 HG21 ILE 8 -1.468 -2.526 -3.523 7 HG22 ILE 8 HG22 ILE 8 -0.772 -4.041 -4.097 8 HG23 ILE 8 HG23 ILE 8 -0.904 -2.662 -5.188 9 HD11 ILE 8 HD11 ILE 8 -4.912 -5.339 -4.882 10 HD12 ILE 8 HD12 ILE 8 -4.999 -5.759 -3.172 11 HD13 ILE 8 HD13 ILE 8 -5.405 -4.124 -3.702 No H/Q in entry = 11 In of MODEL 22 1 H GLN 9 H GLN 9 -3.097 0.014 -4.759 2 HA GLN 9 HA GLN 9 -1.251 0.052 -7.053 3 HB2 GLN 9 HB2 GLN 9 -3.012 2.270 -6.000 4 HB3 GLN 9 HB3 GLN 9 -1.701 2.530 -7.159 5 HG2 GLN 9 HG2 GLN 9 -2.834 0.967 -8.707 6 HG3 GLN 9 HG3 GLN 9 -4.164 0.838 -7.558 7 HE21 GLN 9 HE21 GLN 9 -2.410 3.799 -8.164 8 HE22 GLN 9 HE22 GLN 9 -3.715 4.639 -8.942 No H/Q in entry = 8 In of MODEL 22 1 H VAL 10 H VAL 10 0.786 0.202 -6.415 2 HA VAL 10 HA VAL 10 1.389 1.638 -3.928 3 HB VAL 10 HB VAL 10 1.599 -0.594 -3.198 4 HG11 VAL 10 HG11 VAL 10 1.407 -1.637 -5.422 5 HG12 VAL 10 HG12 VAL 10 3.117 -1.297 -5.702 6 HG13 VAL 10 HG13 VAL 10 2.631 -2.390 -4.400 7 HG21 VAL 10 HG21 VAL 10 4.326 0.334 -4.091 8 HG22 VAL 10 HG22 VAL 10 3.546 0.631 -2.536 9 HG23 VAL 10 HG23 VAL 10 4.050 -1.004 -2.974 No H/Q in entry = 9 In of MODEL 22 1 H TYR 11 H TYR 11 2.960 3.080 -4.073 2 HA TYR 11 HA TYR 11 5.069 2.865 -6.019 3 HB2 TYR 11 HB2 TYR 11 4.545 5.097 -7.065 4 HB3 TYR 11 HB3 TYR 11 3.426 3.812 -7.501 5 HD1 TYR 11 HD1 TYR 11 3.824 6.949 -5.619 6 HD2 TYR 11 HD2 TYR 11 1.118 3.883 -6.798 7 HE1 TYR 11 HE1 TYR 11 1.931 8.358 -4.926 8 HE2 TYR 11 HE2 TYR 11 -0.780 5.285 -6.110 9 HH TYR 11 HH TYR 11 -1.165 7.181 -4.486 No H/Q in entry = 9 In of MODEL 22 1 H SER 12 H SER 12 6.569 4.748 -5.847 2 HA SER 12 HA SER 12 6.971 5.410 -3.072 3 HB2 SER 12 HB2 SER 12 8.894 6.761 -4.541 4 HB3 SER 12 HB3 SER 12 9.070 5.084 -4.003 5 HG SER 12 HG SER 12 8.946 6.012 -6.487 No H/Q in entry = 5 In of MODEL 22 1 H ARG 13 H ARG 13 6.598 7.369 -2.103 2 HA ARG 13 HA ARG 13 4.814 9.185 -3.375 3 HB2 ARG 13 HB2 ARG 13 5.429 8.689 -0.814 4 HB3 ARG 13 HB3 ARG 13 6.435 10.104 -1.034 5 HG2 ARG 13 HG2 ARG 13 3.481 9.836 -0.902 6 HG3 ARG 13 HG3 ARG 13 4.518 11.104 -0.268 7 HD2 ARG 13 HD2 ARG 13 4.476 12.314 -2.267 8 HD3 ARG 13 HD3 ARG 13 4.109 10.875 -3.233 9 HE ARG 13 HE ARG 13 2.106 11.891 -1.346 10 HH11 ARG 13 HH11 ARG 13 3.129 11.379 -4.664 11 HH12 ARG 13 HH12 ARG 13 1.566 11.731 -5.322 12 HH21 ARG 13 HH21 ARG 13 0.069 12.358 -2.211 13 HH22 ARG 13 HH22 ARG 13 -0.189 12.280 -3.929 No H/Q in entry = 13 In of MODEL 22 1 H HIS 14 H HIS 14 8.248 9.435 -2.541 2 HA HIS 14 HA HIS 14 8.523 11.529 -4.567 3 HB2 HIS 14 HB2 HIS 14 10.035 11.041 -1.999 4 HB3 HIS 14 HB3 HIS 14 10.719 12.043 -3.273 5 HD2 HIS 14 HD2 HIS 14 7.351 13.201 -3.640 6 HE1 HIS 14 HE1 HIS 14 8.622 15.177 -0.117 7 HE2 HIS 14 HE2 HIS 14 6.944 15.190 -2.025 No H/Q in entry = 7 In of MODEL 22 1 HA PRO 15 HA PRO 15 11.432 8.999 -6.880 2 HB2 PRO 15 HB2 PRO 15 13.914 10.224 -6.692 3 HB3 PRO 15 HB3 PRO 15 12.648 10.664 -7.856 4 HG2 PRO 15 HG2 PRO 15 13.367 11.983 -5.234 5 HG3 PRO 15 HG3 PRO 15 12.863 12.729 -6.790 6 HD2 PRO 15 HD2 PRO 15 11.144 12.460 -4.711 7 HD3 PRO 15 HD3 PRO 15 10.606 12.291 -6.409 No H/Q in entry = 7 In of MODEL 22 1 H ALA 16 H ALA 16 12.173 7.083 -6.268 2 HA ALA 16 HA ALA 16 13.003 6.502 -3.633 3 HB1 ALA 16 HB1 ALA 16 11.830 4.890 -5.067 4 HB2 ALA 16 HB2 ALA 16 13.234 4.823 -6.126 5 HB3 ALA 16 HB3 ALA 16 13.355 4.241 -4.468 No H/Q in entry = 5 In of MODEL 22 1 H GLU 17 H GLU 17 14.984 6.803 -2.789 2 HA GLU 17 HA GLU 17 17.272 6.575 -4.611 3 HB2 GLU 17 HB2 GLU 17 16.598 8.891 -3.490 4 HB3 GLU 17 HB3 GLU 17 17.463 8.222 -2.116 5 HG2 GLU 17 HG2 GLU 17 18.737 8.341 -4.822 6 HG3 GLU 17 HG3 GLU 17 18.702 9.754 -3.785 No H/Q in entry = 6 In of MODEL 22 1 H ASN 18 H ASN 18 18.631 5.039 -4.169 2 HA ASN 18 HA ASN 18 18.187 3.342 -1.874 3 HB2 ASN 18 HB2 ASN 18 18.564 2.019 -3.700 4 HB3 ASN 18 HB3 ASN 18 19.721 3.134 -4.425 5 HD21 ASN 18 HD21 ASN 18 21.228 1.587 -4.871 6 HD22 ASN 18 HD22 ASN 18 22.130 0.741 -3.653 No H/Q in entry = 6 In of MODEL 22 1 H GLY 19 H GLY 19 19.228 3.327 -0.056 2 HA2 GLY 19 HA2 GLY 19 21.845 4.585 0.231 3 HA3 GLY 19 HA3 GLY 19 20.936 3.737 1.493 No H/Q in entry = 3 In of MODEL 22 1 H LYS 20 H LYS 20 18.532 5.307 0.564 2 HA LYS 20 HA LYS 20 19.116 7.790 2.016 3 HB2 LYS 20 HB2 LYS 20 19.189 8.032 -0.541 4 HB3 LYS 20 HB3 LYS 20 17.463 7.712 -0.489 5 HG2 LYS 20 HG2 LYS 20 17.624 10.030 -0.561 6 HG3 LYS 20 HG3 LYS 20 17.246 9.654 1.114 7 HD2 LYS 20 HD2 LYS 20 20.100 9.917 0.360 8 HD3 LYS 20 HD3 LYS 20 19.157 11.397 0.392 9 HE2 LYS 20 HE2 LYS 20 20.100 11.355 2.517 10 HE3 LYS 20 HE3 LYS 20 18.545 10.595 2.842 11 HZ1 LYS 20 HZ1 LYS 20 20.975 9.023 2.195 12 HZ2 LYS 20 HZ2 LYS 20 20.605 9.489 3.782 13 HZ3 LYS 20 HZ3 LYS 20 19.550 8.478 2.927 No H/Q in entry = 13 In of MODEL 22 1 H SER 21 H SER 21 17.276 8.822 2.841 2 HA SER 21 HA SER 21 15.227 6.984 3.692 3 HB2 SER 21 HB2 SER 21 15.625 9.929 4.211 4 HB3 SER 21 HB3 SER 21 14.459 8.896 5.039 5 HG SER 21 HG SER 21 16.998 9.316 5.658 No H/Q in entry = 5 In of MODEL 22 1 H ASN 22 H ASN 22 13.115 6.990 3.060 2 HA ASN 22 HA ASN 22 12.176 8.958 1.120 3 HB2 ASN 22 HB2 ASN 22 13.518 6.976 -0.014 4 HB3 ASN 22 HB3 ASN 22 12.073 6.043 0.351 5 HD21 ASN 22 HD21 ASN 22 10.322 6.235 -0.913 6 HD22 ASN 22 HD22 ASN 22 10.228 7.277 -2.286 No H/Q in entry = 6 In of MODEL 22 1 H PHE 23 H PHE 23 9.833 8.109 0.345 2 HA PHE 23 HA PHE 23 8.474 7.055 2.733 3 HB2 PHE 23 HB2 PHE 23 7.684 9.364 0.951 4 HB3 PHE 23 HB3 PHE 23 6.545 8.560 2.017 5 HD1 PHE 23 HD1 PHE 23 6.183 9.452 4.091 6 HD2 PHE 23 HD2 PHE 23 9.886 10.235 2.144 7 HE1 PHE 23 HE1 PHE 23 6.810 10.983 5.912 8 HE2 PHE 23 HE2 PHE 23 10.528 11.758 3.969 9 HZ PHE 23 HZ PHE 23 8.989 12.124 5.860 No H/Q in entry = 9 In of MODEL 22 1 H LEU 24 H LEU 24 7.366 5.250 2.273 2 HA LEU 24 HA LEU 24 6.801 4.516 -0.481 3 HB2 LEU 24 HB2 LEU 24 7.285 3.144 1.860 4 HB3 LEU 24 HB3 LEU 24 5.565 2.899 1.618 5 HG LEU 24 HG LEU 24 7.826 2.070 -0.230 6 HD11 LEU 24 HD11 LEU 24 7.443 0.607 1.685 7 HD12 LEU 24 HD12 LEU 24 5.732 0.492 1.268 8 HD13 LEU 24 HD13 LEU 24 6.952 -0.182 0.184 9 HD21 LEU 24 HD21 LEU 24 4.847 1.920 -0.718 10 HD22 LEU 24 HD22 LEU 24 6.027 2.836 -1.653 11 HD23 LEU 24 HD23 LEU 24 6.068 1.074 -1.666 No H/Q in entry = 11 In of MODEL 22 1 H ASN 25 H ASN 25 4.635 3.933 -1.156 2 HA ASN 25 HA ASN 25 2.447 4.959 0.469 3 HB2 ASN 25 HB2 ASN 25 2.870 6.846 -0.942 4 HB3 ASN 25 HB3 ASN 25 3.010 5.830 -2.375 5 HD21 ASN 25 HD21 ASN 25 0.900 7.442 -0.192 6 HD22 ASN 25 HD22 ASN 25 -0.562 7.155 -1.059 No H/Q in entry = 6 In of MODEL 22 1 H CYS 26 H CYS 26 0.837 3.576 0.539 2 HA CYS 26 HA CYS 26 0.494 1.669 -1.665 3 HB2 CYS 26 HB2 CYS 26 1.500 0.771 0.559 4 HB3 CYS 26 HB3 CYS 26 -0.152 0.947 1.168 No H/Q in entry = 4 In of MODEL 22 1 H TYR 27 H TYR 27 -1.424 1.842 -2.554 2 HA TYR 27 HA TYR 27 -3.547 3.196 -1.037 3 HB2 TYR 27 HB2 TYR 27 -2.275 3.956 -3.538 4 HB3 TYR 27 HB3 TYR 27 -4.002 3.708 -3.750 5 HD1 TYR 27 HD1 TYR 27 -5.528 4.951 -1.967 6 HD2 TYR 27 HD2 TYR 27 -1.508 6.007 -2.860 7 HE1 TYR 27 HE1 TYR 27 -5.957 7.239 -1.181 8 HE2 TYR 27 HE2 TYR 27 -1.920 8.290 -2.052 9 HH TYR 27 HH TYR 27 -3.671 9.807 -1.633 No H/Q in entry = 9 In of MODEL 22 1 H VAL 28 H VAL 28 -4.729 1.444 -0.567 2 HA VAL 28 HA VAL 28 -5.605 -0.151 -2.835 3 HB VAL 28 HB VAL 28 -4.676 -1.373 -0.895 4 HG11 VAL 28 HG11 VAL 28 -6.827 -0.012 0.513 5 HG12 VAL 28 HG12 VAL 28 -6.369 -1.654 0.991 6 HG13 VAL 28 HG13 VAL 28 -5.157 -0.374 0.989 7 HG21 VAL 28 HG21 VAL 28 -7.462 -1.890 -1.822 8 HG22 VAL 28 HG22 VAL 28 -5.962 -2.684 -2.291 9 HG23 VAL 28 HG23 VAL 28 -6.658 -2.976 -0.695 No H/Q in entry = 9 In of MODEL 22 1 H SER 29 H SER 29 -7.364 0.510 -3.766 2 HA SER 29 HA SER 29 -9.523 1.648 -2.184 3 HB2 SER 29 HB2 SER 29 -8.170 3.184 -4.417 4 HB3 SER 29 HB3 SER 29 -9.620 3.694 -3.552 5 HG SER 29 HG SER 29 -7.622 3.055 -1.837 No H/Q in entry = 5 In of MODEL 22 1 H GLY 30 H GLY 30 -11.250 2.497 -3.938 2 HA2 GLY 30 HA2 GLY 30 -11.492 0.586 -6.120 3 HA3 GLY 30 HA3 GLY 30 -12.557 1.953 -5.798 No H/Q in entry = 3 In of MODEL 22 1 H PHE 31 H PHE 31 -12.627 1.167 -2.941 2 HA PHE 31 HA PHE 31 -14.832 -0.719 -3.193 3 HB2 PHE 31 HB2 PHE 31 -14.054 -2.037 -1.282 4 HB3 PHE 31 HB3 PHE 31 -12.793 -2.015 -2.530 5 HD1 PHE 31 HD1 PHE 31 -10.884 -0.321 -2.252 6 HD2 PHE 31 HD2 PHE 31 -13.580 -1.350 0.877 7 HE1 PHE 31 HE1 PHE 31 -9.305 0.574 -0.599 8 HE2 PHE 31 HE2 PHE 31 -11.991 -0.470 2.530 9 HZ PHE 31 HZ PHE 31 -9.869 0.522 1.779 No H/Q in entry = 9 In of MODEL 22 1 H HIS 32 H HIS 32 -16.270 -0.565 -1.172 2 HA HIS 32 HA HIS 32 -15.650 1.505 0.697 3 HB2 HIS 32 HB2 HIS 32 -17.494 3.017 0.195 4 HB3 HIS 32 HB3 HIS 32 -16.489 2.840 -1.237 5 HD2 HIS 32 HD2 HIS 32 -20.104 2.312 -0.067 6 HE1 HIS 32 HE1 HIS 32 -19.824 0.975 -4.071 7 HE2 HIS 32 HE2 HIS 32 -21.409 1.664 -2.215 No H/Q in entry = 7 In of MODEL 22 1 HA PRO 33 HA PRO 33 -17.449 2.942 1.865 2 HB2 PRO 33 HB2 PRO 33 -18.461 2.739 4.517 3 HB3 PRO 33 HB3 PRO 33 -19.257 3.441 3.109 4 HG2 PRO 33 HG2 PRO 33 -20.105 1.166 4.427 5 HG3 PRO 33 HG3 PRO 33 -20.522 1.583 2.755 6 HD2 PRO 33 HD2 PRO 33 -18.415 -0.286 3.777 7 HD3 PRO 33 HD3 PRO 33 -19.514 -0.473 2.391 No H/Q in entry = 7 In of MODEL 22 1 H SER 34 H SER 34 -15.167 2.798 2.001 2 HA SER 34 HA SER 34 -13.029 2.606 3.000 3 HB2 SER 34 HB2 SER 34 -14.584 2.789 5.610 4 HB3 SER 34 HB3 SER 34 -12.855 3.060 5.391 5 HG SER 34 HG SER 34 -14.901 4.781 5.072 No H/Q in entry = 5 In of MODEL 22 1 H ASP 35 H ASP 35 -12.137 1.182 5.309 2 HA ASP 35 HA ASP 35 -11.938 -0.692 6.374 3 HB2 ASP 35 HB2 ASP 35 -14.737 -1.029 5.480 4 HB3 ASP 35 HB3 ASP 35 -13.872 -2.451 6.057 No H/Q in entry = 4 In of MODEL 22 1 H ILE 36 H ILE 36 -10.204 -1.230 5.141 2 HA ILE 36 HA ILE 36 -10.451 -4.045 4.480 3 HB ILE 36 HB ILE 36 -10.324 -2.655 2.305 4 HG12 ILE 36 HG12 ILE 36 -8.513 -4.923 3.066 5 HG13 ILE 36 HG13 ILE 36 -9.900 -4.923 1.982 6 HG21 ILE 36 HG21 ILE 36 -8.597 -1.105 3.255 7 HG22 ILE 36 HG22 ILE 36 -7.446 -2.433 3.160 8 HG23 ILE 36 HG23 ILE 36 -8.171 -1.790 1.684 9 HD11 ILE 36 HD11 ILE 36 -7.227 -3.683 1.392 10 HD12 ILE 36 HD12 ILE 36 -7.784 -5.240 0.788 11 HD13 ILE 36 HD13 ILE 36 -8.597 -3.756 0.286 No H/Q in entry = 11 In of MODEL 22 1 H GLU 37 H GLU 37 -8.403 -5.186 4.953 2 HA GLU 37 HA GLU 37 -6.545 -3.528 6.490 3 HB2 GLU 37 HB2 GLU 37 -7.666 -5.641 7.489 4 HB3 GLU 37 HB3 GLU 37 -6.557 -6.528 6.448 5 HG2 GLU 37 HG2 GLU 37 -5.690 -6.291 8.735 6 HG3 GLU 37 HG3 GLU 37 -4.649 -5.498 7.551 No H/Q in entry = 6 In of MODEL 22 1 H VAL 38 H VAL 38 -4.702 -3.043 5.585 2 HA VAL 38 HA VAL 38 -3.599 -4.780 3.514 3 HB VAL 38 HB VAL 38 -4.170 -3.317 1.931 4 HG11 VAL 38 HG11 VAL 38 -5.817 -2.357 3.362 5 HG12 VAL 38 HG12 VAL 38 -4.621 -1.275 4.075 6 HG13 VAL 38 HG13 VAL 38 -5.067 -1.101 2.373 7 HG21 VAL 38 HG21 VAL 38 -2.121 -1.529 3.251 8 HG22 VAL 38 HG22 VAL 38 -1.848 -2.664 1.928 9 HG23 VAL 38 HG23 VAL 38 -2.840 -1.222 1.664 No H/Q in entry = 9 In of MODEL 22 1 H ASP 39 H ASP 39 -1.375 -4.720 3.303 2 HA ASP 39 HA ASP 39 0.057 -3.575 5.578 3 HB2 ASP 39 HB2 ASP 39 0.038 -5.479 6.764 4 HB3 ASP 39 HB3 ASP 39 -0.982 -6.219 5.544 No H/Q in entry = 4 In of MODEL 22 1 H LEU 40 H LEU 40 2.298 -3.493 5.306 2 HA LEU 40 HA LEU 40 3.120 -3.802 2.507 3 HB2 LEU 40 HB2 LEU 40 4.594 -2.251 4.616 4 HB3 LEU 40 HB3 LEU 40 4.746 -2.127 2.876 5 HG LEU 40 HG LEU 40 2.423 -1.205 4.544 6 HD11 LEU 40 HD11 LEU 40 4.448 0.201 4.638 7 HD12 LEU 40 HD12 LEU 40 4.394 0.354 2.879 8 HD13 LEU 40 HD13 LEU 40 3.088 1.013 3.864 9 HD21 LEU 40 HD21 LEU 40 2.769 -1.274 1.563 10 HD22 LEU 40 HD22 LEU 40 1.462 -1.970 2.529 11 HD23 LEU 40 HD23 LEU 40 1.619 -0.216 2.383 No H/Q in entry = 11 In of MODEL 22 1 H LEU 41 H LEU 41 4.861 -4.984 1.952 2 HA LEU 41 HA LEU 41 5.875 -6.769 4.047 3 HB2 LEU 41 HB2 LEU 41 5.942 -7.391 1.136 4 HB3 LEU 41 HB3 LEU 41 6.052 -8.485 2.481 5 HG LEU 41 HG LEU 41 3.540 -7.016 1.709 6 HD11 LEU 41 HD11 LEU 41 4.400 -8.629 0.006 7 HD12 LEU 41 HD12 LEU 41 4.271 -9.898 1.220 8 HD13 LEU 41 HD13 LEU 41 2.827 -9.049 0.670 9 HD21 LEU 41 HD21 LEU 41 3.686 -7.677 4.082 10 HD22 LEU 41 HD22 LEU 41 2.451 -8.587 3.212 11 HD23 LEU 41 HD23 LEU 41 4.000 -9.339 3.585 No H/Q in entry = 11 In of MODEL 22 1 H LYS 42 H LYS 42 7.807 -7.948 3.182 2 HA LYS 42 HA LYS 42 9.807 -6.380 1.836 3 HB2 LYS 42 HB2 LYS 42 9.977 -6.920 4.773 4 HB3 LYS 42 HB3 LYS 42 11.449 -6.836 3.811 5 HG2 LYS 42 HG2 LYS 42 10.975 -4.595 3.160 6 HG3 LYS 42 HG3 LYS 42 9.373 -4.654 3.902 7 HD2 LYS 42 HD2 LYS 42 12.076 -4.703 5.266 8 HD3 LYS 42 HD3 LYS 42 10.828 -3.464 5.397 9 HE2 LYS 42 HE2 LYS 42 9.360 -5.038 6.533 10 HE3 LYS 42 HE3 LYS 42 10.564 -6.313 6.353 11 HZ1 LYS 42 HZ1 LYS 42 12.076 -4.998 7.730 12 HZ2 LYS 42 HZ2 LYS 42 10.873 -3.824 7.944 13 HZ3 LYS 42 HZ3 LYS 42 10.647 -5.392 8.559 No H/Q in entry = 13 In of MODEL 22 1 H ASN 43 H ASN 43 10.134 -7.918 0.363 2 HA ASN 43 HA ASN 43 10.702 -9.857 -0.630 3 HB2 ASN 43 HB2 ASN 43 12.066 -10.280 2.011 4 HB3 ASN 43 HB3 ASN 43 12.077 -11.540 0.782 5 HD21 ASN 43 HD21 ASN 43 13.340 -8.513 1.778 6 HD22 ASN 43 HD22 ASN 43 14.468 -8.312 0.483 No H/Q in entry = 6 In of MODEL 22 1 H GLY 44 H GLY 44 8.726 -9.885 2.107 2 HA2 GLY 44 HA2 GLY 44 7.850 -12.632 1.741 3 HA3 GLY 44 HA3 GLY 44 6.721 -11.383 1.215 No H/Q in entry = 3 In of MODEL 22 1 H GLU 45 H GLU 45 8.359 -10.062 3.711 2 HA GLU 45 HA GLU 45 6.712 -11.320 5.785 3 HB2 GLU 45 HB2 GLU 45 9.301 -9.816 6.004 4 HB3 GLU 45 HB3 GLU 45 8.517 -10.738 7.286 5 HG2 GLU 45 HG2 GLU 45 9.516 -11.880 4.703 6 HG3 GLU 45 HG3 GLU 45 10.409 -11.880 6.197 No H/Q in entry = 6 In of MODEL 22 1 H ARG 46 H ARG 46 5.739 -9.992 7.371 2 HA ARG 46 HA ARG 46 4.708 -7.588 6.282 3 HB2 ARG 46 HB2 ARG 46 3.444 -9.170 7.783 4 HB3 ARG 46 HB3 ARG 46 4.444 -8.591 9.123 5 HG2 ARG 46 HG2 ARG 46 3.531 -6.397 8.963 6 HG3 ARG 46 HG3 ARG 46 2.753 -6.754 7.428 7 HD2 ARG 46 HD2 ARG 46 1.222 -8.335 8.596 8 HD3 ARG 46 HD3 ARG 46 1.990 -7.883 10.130 9 HE ARG 46 HE ARG 46 0.936 -5.700 8.541 10 HH11 ARG 46 HH11 ARG 46 0.378 -7.921 11.182 11 HH12 ARG 46 HH12 ARG 46 -0.974 -7.031 11.816 12 HH21 ARG 46 HH21 ARG 46 -0.840 -4.528 9.364 13 HH22 ARG 46 HH22 ARG 46 -1.684 -5.104 10.768 No H/Q in entry = 13 In of MODEL 22 1 H ILE 47 H ILE 47 5.138 -5.519 6.698 2 HA ILE 47 HA ILE 47 7.382 -4.837 8.425 3 HB ILE 47 HB ILE 47 5.684 -3.056 6.666 4 HG12 ILE 47 HG12 ILE 47 8.447 -4.150 6.166 5 HG13 ILE 47 HG13 ILE 47 6.983 -4.789 5.426 6 HG21 ILE 47 HG21 ILE 47 6.758 -1.860 8.502 7 HG22 ILE 47 HG22 ILE 47 8.318 -2.551 8.056 8 HG23 ILE 47 HG23 ILE 47 7.505 -1.431 6.961 9 HD11 ILE 47 HD11 ILE 47 8.030 -1.988 5.089 10 HD12 ILE 47 HD12 ILE 47 8.202 -3.302 3.924 11 HD13 ILE 47 HD13 ILE 47 6.602 -2.671 4.311 No H/Q in entry = 11 In of MODEL 22 1 H GLU 48 H GLU 48 7.154 -3.760 10.331 2 HA GLU 48 HA GLU 48 4.413 -3.664 11.315 3 HB2 GLU 48 HB2 GLU 48 5.616 -3.484 13.580 4 HB3 GLU 48 HB3 GLU 48 5.653 -5.018 12.733 5 HG2 GLU 48 HG2 GLU 48 7.878 -3.028 12.598 6 HG3 GLU 48 HG3 GLU 48 7.794 -4.277 13.823 No H/Q in entry = 6 In of MODEL 22 1 H LYS 49 H LYS 49 7.275 -1.532 11.063 2 HA LYS 49 HA LYS 49 6.115 0.690 12.280 3 HB2 LYS 49 HB2 LYS 49 8.251 0.561 10.158 4 HB3 LYS 49 HB3 LYS 49 7.893 1.963 11.161 5 HG2 LYS 49 HG2 LYS 49 8.343 -0.451 12.692 6 HG3 LYS 49 HG3 LYS 49 9.731 0.026 11.725 7 HD2 LYS 49 HD2 LYS 49 9.663 2.229 12.724 8 HD3 LYS 49 HD3 LYS 49 8.220 1.781 13.637 9 HE2 LYS 49 HE2 LYS 49 10.200 1.642 15.050 10 HE3 LYS 49 HE3 LYS 49 9.498 0.043 14.797 11 HZ1 LYS 49 HZ1 LYS 49 11.175 -0.323 13.042 12 HZ2 LYS 49 HZ2 LYS 49 11.883 1.166 13.425 13 HZ3 LYS 49 HZ3 LYS 49 11.870 -0.083 14.569 No H/Q in entry = 13 In of MODEL 22 1 H VAL 50 H VAL 50 4.853 -0.733 9.652 2 HA VAL 50 HA VAL 50 4.233 1.475 8.006 3 HB VAL 50 HB VAL 50 2.705 -1.087 8.465 4 HG11 VAL 50 HG11 VAL 50 1.309 0.806 7.576 5 HG12 VAL 50 HG12 VAL 50 2.400 0.863 6.186 6 HG13 VAL 50 HG13 VAL 50 1.447 -0.589 6.496 7 HG21 VAL 50 HG21 VAL 50 4.607 -0.178 6.336 8 HG22 VAL 50 HG22 VAL 50 4.920 -1.395 7.571 9 HG23 VAL 50 HG23 VAL 50 3.717 -1.700 6.318 No H/Q in entry = 9 In of MODEL 22 1 H GLU 51 H GLU 51 2.615 2.910 8.028 2 HA GLU 51 HA GLU 51 0.782 2.852 10.327 3 HB2 GLU 51 HB2 GLU 51 1.339 4.978 10.937 4 HB3 GLU 51 HB3 GLU 51 2.828 4.628 10.060 5 HG2 GLU 51 HG2 GLU 51 2.457 6.297 8.756 6 HG3 GLU 51 HG3 GLU 51 1.032 5.458 8.149 No H/Q in entry = 6 In of MODEL 22 1 H HIS 52 H HIS 52 -1.268 3.697 9.958 2 HA HIS 52 HA HIS 52 -1.737 4.624 7.238 3 HB2 HIS 52 HB2 HIS 52 -4.128 3.926 7.520 4 HB3 HIS 52 HB3 HIS 52 -2.979 2.595 7.511 5 HD2 HIS 52 HD2 HIS 52 -2.326 1.803 10.334 6 HE1 HIS 52 HE1 HIS 52 -6.290 2.729 11.480 7 HE2 HIS 52 HE2 HIS 52 -4.198 1.433 12.089 No H/Q in entry = 7 In of MODEL 22 1 H SER 53 H SER 53 -2.506 6.560 6.942 2 HA SER 53 HA SER 53 -2.654 8.378 9.143 3 HB2 SER 53 HB2 SER 53 -3.025 8.644 6.153 4 HB3 SER 53 HB3 SER 53 -3.219 10.026 7.239 5 HG SER 53 HG SER 53 -0.931 8.591 7.718 No H/Q in entry = 5 In of MODEL 22 1 H ASP 54 H ASP 54 -4.555 10.197 8.504 2 HA ASP 54 HA ASP 54 -6.816 9.512 9.812 3 HB2 ASP 54 HB2 ASP 54 -6.134 11.791 8.997 4 HB3 ASP 54 HB3 ASP 54 -6.793 11.365 7.421 No H/Q in entry = 4 In of MODEL 22 1 H LEU 55 H LEU 55 -8.846 8.740 9.350 2 HA LEU 55 HA LEU 55 -8.909 6.362 8.050 3 HB2 LEU 55 HB2 LEU 55 -10.566 7.427 9.720 4 HB3 LEU 55 HB3 LEU 55 -11.408 8.000 8.298 5 HG LEU 55 HG LEU 55 -12.280 5.867 9.373 6 HD11 LEU 55 HD11 LEU 55 -12.935 6.535 7.129 7 HD12 LEU 55 HD12 LEU 55 -11.503 5.750 6.466 8 HD13 LEU 55 HD13 LEU 55 -12.758 4.786 7.244 9 HD21 LEU 55 HD21 LEU 55 -10.135 4.813 9.813 10 HD22 LEU 55 HD22 LEU 55 -11.136 3.794 8.778 11 HD23 LEU 55 HD23 LEU 55 -9.810 4.726 8.081 No H/Q in entry = 11 In of MODEL 22 1 H SER 56 H SER 56 -10.997 8.937 6.751 2 HA SER 56 HA SER 56 -9.912 8.825 4.133 3 HB2 SER 56 HB2 SER 56 -11.735 7.655 2.968 4 HB3 SER 56 HB3 SER 56 -11.033 6.556 4.156 5 HG SER 56 HG SER 56 -13.063 6.353 4.712 No H/Q in entry = 5 In of MODEL 22 1 H PHE 57 H PHE 57 -11.628 9.706 2.520 2 HA PHE 57 HA PHE 57 -13.608 11.460 3.657 3 HB2 PHE 57 HB2 PHE 57 -11.616 12.874 3.860 4 HB3 PHE 57 HB3 PHE 57 -11.195 12.566 2.180 5 HD1 PHE 57 HD1 PHE 57 -13.789 14.110 4.338 6 HD2 PHE 57 HD2 PHE 57 -11.995 13.931 0.483 7 HE1 PHE 57 HE1 PHE 57 -15.075 16.090 3.649 8 HE2 PHE 57 HE2 PHE 57 -13.276 15.911 -0.211 9 HZ PHE 57 HZ PHE 57 -14.816 16.996 1.370 No H/Q in entry = 9 In of MODEL 22 1 H SER 58 H SER 58 -15.286 10.962 2.372 2 HA SER 58 HA SER 58 -14.831 10.002 -0.316 3 HB2 SER 58 HB2 SER 58 -16.581 8.997 1.150 4 HB3 SER 58 HB3 SER 58 -17.450 10.530 1.118 5 HG SER 58 HG SER 58 -17.415 8.526 -0.718 No H/Q in entry = 5 In of MODEL 22 1 H LYS 59 H LYS 59 -15.936 10.964 -2.182 2 HA LYS 59 HA LYS 59 -16.629 13.752 -1.937 3 HB2 LYS 59 HB2 LYS 59 -14.118 13.684 -2.219 4 HB3 LYS 59 HB3 LYS 59 -14.388 12.972 -3.806 5 HG2 LYS 59 HG2 LYS 59 -15.558 14.934 -4.545 6 HG3 LYS 59 HG3 LYS 59 -15.474 15.636 -2.928 7 HD2 LYS 59 HD2 LYS 59 -13.021 15.685 -3.095 8 HD3 LYS 59 HD3 LYS 59 -13.129 15.016 -4.725 9 HE2 LYS 59 HE2 LYS 59 -14.199 17.681 -3.786 10 HE3 LYS 59 HE3 LYS 59 -12.821 17.410 -4.852 11 HZ1 LYS 59 HZ1 LYS 59 -15.634 16.673 -5.477 12 HZ2 LYS 59 HZ2 LYS 59 -14.819 18.024 -6.083 13 HZ3 LYS 59 HZ3 LYS 59 -14.301 16.466 -6.498 No H/Q in entry = 13 In of MODEL 22 1 H ASP 60 H ASP 60 -15.535 11.832 -4.804 2 HA ASP 60 HA ASP 60 -18.333 11.793 -5.682 3 HB2 ASP 60 HB2 ASP 60 -17.054 13.315 -7.080 4 HB3 ASP 60 HB3 ASP 60 -15.775 12.123 -7.279 No H/Q in entry = 4 In of MODEL 22 1 H TRP 61 H TRP 61 -15.161 10.245 -5.898 2 HA TRP 61 HA TRP 61 -16.094 7.955 -7.278 3 HB2 TRP 61 HB2 TRP 61 -13.504 8.222 -5.753 4 HB3 TRP 61 HB3 TRP 61 -13.852 7.118 -7.075 5 HD1 TRP 61 HD1 TRP 61 -14.131 8.286 -9.557 6 HE1 TRP 61 HE1 TRP 61 -12.955 10.364 -10.525 7 HE3 TRP 61 HE3 TRP 61 -12.569 10.433 -5.193 8 HZ2 TRP 61 HZ2 TRP 61 -11.553 12.607 -9.564 9 HZ3 TRP 61 HZ3 TRP 61 -11.312 12.541 -5.286 10 HH2 TRP 61 HH2 TRP 61 -10.808 13.618 -7.458 No H/Q in entry = 10 In of MODEL 22 1 H SER 62 H SER 62 -14.254 7.716 -4.276 2 HA SER 62 HA SER 62 -16.250 6.142 -2.936 3 HB2 SER 62 HB2 SER 62 -13.765 4.835 -4.113 4 HB3 SER 62 HB3 SER 62 -14.794 4.055 -2.907 5 HG SER 62 HG SER 62 -16.200 5.047 -5.042 No H/Q in entry = 5 In of MODEL 22 1 H PHE 63 H PHE 63 -14.805 4.885 -1.048 2 HA PHE 63 HA PHE 63 -13.326 7.039 0.259 3 HB2 PHE 63 HB2 PHE 63 -14.143 4.315 1.320 4 HB3 PHE 63 HB3 PHE 63 -13.396 5.591 2.264 5 HD1 PHE 63 HD1 PHE 63 -16.467 4.721 0.361 6 HD2 PHE 63 HD2 PHE 63 -14.718 7.195 3.361 7 HE1 PHE 63 HE1 PHE 63 -18.711 5.513 1.013 8 HE2 PHE 63 HE2 PHE 63 -16.967 7.994 4.013 9 HZ PHE 63 HZ PHE 63 -18.953 7.153 2.830 No H/Q in entry = 9 In of MODEL 22 1 H TYR 64 H TYR 64 -11.244 6.636 1.209 2 HA TYR 64 HA TYR 64 -9.711 4.512 -0.124 3 HB2 TYR 64 HB2 TYR 64 -8.262 7.043 0.380 4 HB3 TYR 64 HB3 TYR 64 -8.185 5.962 -1.009 5 HD1 TYR 64 HD1 TYR 64 -9.817 8.854 0.479 6 HD2 TYR 64 HD2 TYR 64 -9.691 6.300 -2.919 7 HE1 TYR 64 HE1 TYR 64 -11.146 10.479 -0.778 8 HE2 TYR 64 HE2 TYR 64 -11.026 7.926 -4.193 9 HH TYR 64 HH TYR 64 -12.609 9.752 -3.734 No H/Q in entry = 9 In of MODEL 22 1 H LEU 65 H LEU 65 -8.023 3.627 1.127 2 HA LEU 65 HA LEU 65 -7.445 4.975 3.652 3 HB2 LEU 65 HB2 LEU 65 -8.821 3.336 4.490 4 HB3 LEU 65 HB3 LEU 65 -8.373 2.163 3.282 5 HG LEU 65 HG LEU 65 -6.271 2.916 5.233 6 HD11 LEU 65 HD11 LEU 65 -8.318 2.769 6.601 7 HD12 LEU 65 HD12 LEU 65 -8.636 1.168 5.927 8 HD13 LEU 65 HD13 LEU 65 -7.204 1.444 6.925 9 HD21 LEU 65 HD21 LEU 65 -5.910 1.273 3.446 10 HD22 LEU 65 HD22 LEU 65 -5.802 0.532 5.044 11 HD23 LEU 65 HD23 LEU 65 -7.255 0.312 4.066 No H/Q in entry = 11 In of MODEL 22 1 H LEU 66 H LEU 66 -5.366 5.151 4.130 2 HA LEU 66 HA LEU 66 -3.547 4.248 1.989 3 HB2 LEU 66 HB2 LEU 66 -4.157 6.782 2.640 4 HB3 LEU 66 HB3 LEU 66 -2.857 6.522 3.759 5 HG LEU 66 HG LEU 66 -2.614 6.260 0.775 6 HD11 LEU 66 HD11 LEU 66 -1.778 8.464 2.650 7 HD12 LEU 66 HD12 LEU 66 -1.264 8.342 0.972 8 HD13 LEU 66 HD13 LEU 66 -2.970 8.563 1.359 9 HD21 LEU 66 HD21 LEU 66 -0.508 6.156 2.924 10 HD22 LEU 66 HD22 LEU 66 -1.015 4.829 1.881 11 HD23 LEU 66 HD23 LEU 66 -0.187 6.226 1.190 No H/Q in entry = 11 In of MODEL 22 1 H TYR 67 H TYR 67 -1.800 3.091 2.496 2 HA TYR 67 HA TYR 67 -0.941 2.974 5.307 3 HB2 TYR 67 HB2 TYR 67 -1.609 0.771 3.439 4 HB3 TYR 67 HB3 TYR 67 -0.189 0.544 4.447 5 HD1 TYR 67 HD1 TYR 67 -3.814 0.424 4.324 6 HD2 TYR 67 HD2 TYR 67 -0.442 0.650 6.950 7 HE1 TYR 67 HE1 TYR 67 -5.177 -0.416 6.193 8 HE2 TYR 67 HE2 TYR 67 -1.828 -0.179 8.811 9 HH TYR 67 HH TYR 67 -4.758 -1.649 8.404 No H/Q in entry = 9 In of MODEL 22 1 H TYR 68 H TYR 68 1.049 3.731 5.538 2 HA TYR 68 HA TYR 68 2.986 3.173 3.384 3 HB2 TYR 68 HB2 TYR 68 3.844 5.465 3.400 4 HB3 TYR 68 HB3 TYR 68 2.135 5.447 2.947 5 HD1 TYR 68 HD1 TYR 68 4.510 6.173 5.689 6 HD2 TYR 68 HD2 TYR 68 0.562 6.647 4.195 7 HE1 TYR 68 HE1 TYR 68 4.060 7.844 7.435 8 HE2 TYR 68 HE2 TYR 68 0.101 8.330 5.912 9 HH TYR 68 HH TYR 68 1.038 8.851 8.270 No H/Q in entry = 9 In of MODEL 22 1 H THR 69 H THR 69 5.258 3.799 4.039 2 HA THR 69 HA THR 69 5.734 3.960 6.899 3 HB THR 69 HB THR 69 5.600 1.534 6.516 4 HG1 THR 69 HG1 THR 69 7.055 2.176 8.089 5 HG21 THR 69 HG21 THR 69 7.726 2.079 4.454 6 HG22 THR 69 HG22 THR 69 7.479 0.479 5.160 7 HG23 THR 69 HG23 THR 69 6.180 1.250 4.242 No H/Q in entry = 7 In of MODEL 22 1 H GLU 70 H GLU 70 7.724 4.850 7.378 2 HA GLU 70 HA GLU 70 9.196 6.016 5.162 3 HB2 GLU 70 HB2 GLU 70 8.624 7.368 7.196 4 HB3 GLU 70 HB3 GLU 70 9.607 6.282 8.158 5 HG2 GLU 70 HG2 GLU 70 10.941 7.588 5.870 6 HG3 GLU 70 HG3 GLU 70 10.487 8.612 7.231 No H/Q in entry = 6 In of MODEL 22 1 H PHE 71 H PHE 71 11.190 5.321 4.504 2 HA PHE 71 HA PHE 71 12.403 3.081 5.874 3 HB2 PHE 71 HB2 PHE 71 12.217 1.541 3.976 4 HB3 PHE 71 HB3 PHE 71 10.625 1.996 4.566 5 HD1 PHE 71 HD1 PHE 71 10.827 4.807 3.109 6 HD2 PHE 71 HD2 PHE 71 11.305 0.767 1.896 7 HE1 PHE 71 HE1 PHE 71 10.165 5.416 0.823 8 HE2 PHE 71 HE2 PHE 71 10.646 1.361 -0.391 9 HZ PHE 71 HZ PHE 71 10.085 3.701 -0.947 No H/Q in entry = 9 In of MODEL 22 1 H THR 72 H THR 72 14.460 2.428 4.879 2 HA THR 72 HA THR 72 15.588 4.498 3.122 3 HB THR 72 HB THR 72 17.136 2.715 5.015 4 HG1 THR 72 HG1 THR 72 15.536 4.758 5.607 5 HG21 THR 72 HG21 THR 72 17.872 5.274 3.581 6 HG22 THR 72 HG22 THR 72 18.907 4.384 4.700 7 HG23 THR 72 HG23 THR 72 18.441 3.656 3.163 No H/Q in entry = 7 In of MODEL 22 1 HA PRO 73 HA PRO 73 15.135 0.671 0.478 2 HB2 PRO 73 HB2 PRO 73 15.780 2.276 -1.765 3 HB3 PRO 73 HB3 PRO 73 14.160 1.785 -1.251 4 HG2 PRO 73 HG2 PRO 73 15.629 4.331 -0.769 5 HG3 PRO 73 HG3 PRO 73 13.889 4.073 -1.021 6 HD2 PRO 73 HD2 PRO 73 14.865 4.598 1.409 7 HD3 PRO 73 HD3 PRO 73 13.550 3.416 1.190 No H/Q in entry = 7 In of MODEL 22 1 H THR 74 H THR 74 16.608 -0.612 -0.506 2 HA THR 74 HA THR 74 19.293 0.415 -1.021 3 HB THR 74 HB THR 74 20.397 -1.434 0.044 4 HG1 THR 74 HG1 THR 74 17.766 -2.433 0.336 5 HG21 THR 74 HG21 THR 74 18.313 -0.302 1.910 6 HG22 THR 74 HG22 THR 74 19.773 -1.147 2.421 7 HG23 THR 74 HG23 THR 74 19.899 0.393 1.569 No H/Q in entry = 7 In of MODEL 22 1 H GLU 75 H GLU 75 20.562 -1.367 -2.263 2 HA GLU 75 HA GLU 75 19.156 -2.249 -4.516 3 HB2 GLU 75 HB2 GLU 75 21.652 -1.876 -4.194 4 HB3 GLU 75 HB3 GLU 75 21.704 -3.457 -3.439 5 HG2 GLU 75 HG2 GLU 75 20.705 -3.005 -6.226 6 HG3 GLU 75 HG3 GLU 75 22.386 -3.328 -5.847 No H/Q in entry = 6 In of MODEL 22 1 H LYS 76 H LYS 76 19.994 -3.880 -1.536 2 HA LYS 76 HA LYS 76 19.438 -6.467 -2.631 3 HB2 LYS 76 HB2 LYS 76 20.474 -5.551 0.037 4 HB3 LYS 76 HB3 LYS 76 20.250 -7.240 -0.397 5 HG2 LYS 76 HG2 LYS 76 22.124 -7.294 -1.629 6 HG3 LYS 76 HG3 LYS 76 21.815 -5.706 -2.334 7 HD2 LYS 76 HD2 LYS 76 22.658 -4.602 -0.408 8 HD3 LYS 76 HD3 LYS 76 22.774 -6.121 0.484 9 HE2 LYS 76 HE2 LYS 76 24.445 -6.898 -1.188 10 HE3 LYS 76 HE3 LYS 76 24.386 -5.300 -1.933 11 HZ1 LYS 76 HZ1 LYS 76 25.185 -5.862 0.873 12 HZ2 LYS 76 HZ2 LYS 76 26.252 -5.536 -0.402 13 HZ3 LYS 76 HZ3 LYS 76 25.177 -4.337 0.133 No H/Q in entry = 13 In of MODEL 22 1 H ASP 77 H ASP 77 17.785 -4.156 -0.581 2 HA ASP 77 HA ASP 77 16.083 -6.332 0.397 3 HB2 ASP 77 HB2 ASP 77 15.170 -4.781 1.997 4 HB3 ASP 77 HB3 ASP 77 16.916 -4.629 2.030 No H/Q in entry = 4 In of MODEL 22 1 H GLU 78 H GLU 78 13.659 -5.683 0.519 2 HA GLU 78 HA GLU 78 12.721 -4.350 -1.858 3 HB2 GLU 78 HB2 GLU 78 13.250 -6.419 -2.912 4 HB3 GLU 78 HB3 GLU 78 12.681 -7.348 -1.539 5 HG2 GLU 78 HG2 GLU 78 10.581 -5.760 -2.851 6 HG3 GLU 78 HG3 GLU 78 11.306 -7.018 -3.859 No H/Q in entry = 6 In of MODEL 22 1 H TYR 79 H TYR 79 10.501 -3.940 -1.791 2 HA TYR 79 HA TYR 79 9.105 -4.751 0.638 3 HB2 TYR 79 HB2 TYR 79 8.696 -2.039 -0.586 4 HB3 TYR 79 HB3 TYR 79 8.267 -2.593 1.028 5 HD1 TYR 79 HD1 TYR 79 9.892 -2.619 2.806 6 HD2 TYR 79 HD2 TYR 79 10.977 -1.385 -1.111 7 HE1 TYR 79 HE1 TYR 79 11.976 -1.667 3.691 8 HE2 TYR 79 HE2 TYR 79 13.063 -0.437 -0.241 9 HH TYR 79 HH TYR 79 14.475 -1.133 2.355 No H/Q in entry = 9 In of MODEL 22 1 H ALA 80 H ALA 80 6.898 -4.991 0.482 2 HA ALA 80 HA ALA 80 5.750 -4.835 -2.232 3 HB1 ALA 80 HB1 ALA 80 6.582 -7.113 -1.967 4 HB2 ALA 80 HB2 ALA 80 4.820 -7.077 -2.060 5 HB3 ALA 80 HB3 ALA 80 5.611 -7.295 -0.500 No H/Q in entry = 5 In of MODEL 22 1 H CYS 81 H CYS 81 3.325 -5.097 -2.214 2 HA CYS 81 HA CYS 81 2.207 -4.054 0.314 3 HB2 CYS 81 HB2 CYS 81 1.826 -3.324 -2.529 4 HB3 CYS 81 HB3 CYS 81 0.366 -3.358 -1.541 No H/Q in entry = 4 In of MODEL 22 1 H ARG 82 H ARG 82 0.567 -5.170 1.229 2 HA ARG 82 HA ARG 82 -0.736 -7.360 -0.296 3 HB2 ARG 82 HB2 ARG 82 0.863 -8.062 1.556 4 HB3 ARG 82 HB3 ARG 82 -0.210 -7.240 2.677 5 HG2 ARG 82 HG2 ARG 82 -2.052 -8.775 1.945 6 HG3 ARG 82 HG3 ARG 82 -0.844 -9.679 1.030 7 HD2 ARG 82 HD2 ARG 82 -0.005 -10.668 2.878 8 HD3 ARG 82 HD3 ARG 82 -0.053 -9.170 3.804 9 HE ARG 82 HE ARG 82 -2.588 -10.534 3.414 10 HH11 ARG 82 HH11 ARG 82 0.148 -9.768 5.430 11 HH12 ARG 82 HH12 ARG 82 -0.546 -10.425 6.884 12 HH21 ARG 82 HH21 ARG 82 -3.577 -11.353 5.340 13 HH22 ARG 82 HH22 ARG 82 -2.691 -11.316 6.833 No H/Q in entry = 13 In of MODEL 22 1 H VAL 83 H VAL 83 -2.960 -7.502 -0.108 2 HA VAL 83 HA VAL 83 -4.246 -5.927 2.005 3 HB VAL 83 HB VAL 83 -5.786 -4.820 0.711 4 HG11 VAL 83 HG11 VAL 83 -3.260 -4.889 -0.869 5 HG12 VAL 83 HG12 VAL 83 -4.566 -3.733 -1.137 6 HG13 VAL 83 HG13 VAL 83 -3.715 -3.767 0.409 7 HG21 VAL 83 HG21 VAL 83 -5.129 -6.629 -1.602 8 HG22 VAL 83 HG22 VAL 83 -6.586 -6.684 -0.609 9 HG23 VAL 83 HG23 VAL 83 -6.274 -5.287 -1.642 No H/Q in entry = 9 In of MODEL 22 1 H ASN 84 H ASN 84 -6.083 -6.764 2.799 2 HA ASN 84 HA ASN 84 -6.863 -9.418 1.791 3 HB2 ASN 84 HB2 ASN 84 -6.991 -8.482 4.671 4 HB3 ASN 84 HB3 ASN 84 -7.230 -10.118 4.078 5 HD21 ASN 84 HD21 ASN 84 -4.835 -7.579 4.482 6 HD22 ASN 84 HD22 ASN 84 -3.466 -8.632 4.577 No H/Q in entry = 6 In of MODEL 22 1 H HIS 85 H HIS 85 -8.898 -9.335 0.923 2 HA HIS 85 HA HIS 85 -10.976 -8.085 2.556 3 HB2 HIS 85 HB2 HIS 85 -10.201 -6.661 0.476 4 HB3 HIS 85 HB3 HIS 85 -11.134 -7.842 -0.426 5 HD2 HIS 85 HD2 HIS 85 -11.797 -5.175 2.412 6 HE1 HIS 85 HE1 HIS 85 -15.359 -5.979 0.277 7 HE2 HIS 85 HE2 HIS 85 -14.317 -4.625 2.152 No H/Q in entry = 7 In of MODEL 22 1 H VAL 86 H VAL 86 -13.166 -8.911 1.860 2 HA VAL 86 HA VAL 86 -13.087 -11.738 1.694 3 HB VAL 86 HB VAL 86 -15.514 -11.668 1.627 4 HG11 VAL 86 HG11 VAL 86 -14.373 -9.584 3.482 5 HG12 VAL 86 HG12 VAL 86 -15.939 -10.372 3.668 6 HG13 VAL 86 HG13 VAL 86 -14.454 -11.319 3.780 7 HG21 VAL 86 HG21 VAL 86 -15.792 -9.840 0.022 8 HG22 VAL 86 HG22 VAL 86 -16.746 -9.560 1.480 9 HG23 VAL 86 HG23 VAL 86 -15.235 -8.685 1.235 No H/Q in entry = 9 In of MODEL 22 1 H THR 87 H THR 87 -13.244 -9.229 -0.694 2 HA THR 87 HA THR 87 -14.495 -10.644 -2.770 3 HB THR 87 HB THR 87 -13.284 -8.927 -4.200 4 HG1 THR 87 HG1 THR 87 -12.737 -7.437 -1.935 5 HG21 THR 87 HG21 THR 87 -15.027 -8.102 -1.899 6 HG22 THR 87 HG22 THR 87 -14.594 -7.011 -3.212 7 HG23 THR 87 HG23 THR 87 -15.526 -8.473 -3.549 No H/Q in entry = 7 In of MODEL 22 1 H LEU 88 H LEU 88 -11.106 -9.968 -2.116 2 HA LEU 88 HA LEU 88 -10.117 -11.392 -4.345 3 HB2 LEU 88 HB2 LEU 88 -8.715 -10.610 -1.773 4 HB3 LEU 88 HB3 LEU 88 -7.908 -11.194 -3.214 5 HG LEU 88 HG LEU 88 -9.381 -8.581 -2.877 6 HD11 LEU 88 HD11 LEU 88 -7.102 -8.644 -1.960 7 HD12 LEU 88 HD12 LEU 88 -6.488 -9.193 -3.528 8 HD13 LEU 88 HD13 LEU 88 -7.211 -7.585 -3.374 9 HD21 LEU 88 HD21 LEU 88 -8.169 -9.751 -5.380 10 HD22 LEU 88 HD22 LEU 88 -9.888 -9.494 -5.075 11 HD23 LEU 88 HD23 LEU 88 -8.800 -8.113 -5.207 No H/Q in entry = 11 In of MODEL 22 1 H SER 89 H SER 89 -10.045 -13.553 -4.582 2 HA SER 89 HA SER 89 -10.822 -15.376 -2.592 3 HB2 SER 89 HB2 SER 89 -9.685 -17.021 -4.306 4 HB3 SER 89 HB3 SER 89 -11.162 -16.162 -4.741 5 HG SER 89 HG SER 89 -8.894 -16.117 -6.027 No H/Q in entry = 5 In of MODEL 22 1 H GLN 90 H GLN 90 -7.858 -13.859 -3.237 2 HA GLN 90 HA GLN 90 -6.718 -15.092 -0.888 3 HB2 GLN 90 HB2 GLN 90 -4.455 -14.919 -2.490 4 HB3 GLN 90 HB3 GLN 90 -5.324 -16.398 -2.119 5 HG2 GLN 90 HG2 GLN 90 -5.049 -16.449 -4.419 6 HG3 GLN 90 HG3 GLN 90 -6.702 -15.874 -4.217 7 HE21 GLN 90 HE21 GLN 90 -6.740 -14.873 -6.208 8 HE22 GLN 90 HE22 GLN 90 -5.861 -13.415 -6.529 No H/Q in entry = 8 In of MODEL 22 1 HA PRO 91 HA PRO 91 -5.673 -10.745 -0.144 2 HB2 PRO 91 HB2 PRO 91 -3.269 -12.191 0.954 3 HB3 PRO 91 HB3 PRO 91 -4.101 -10.762 1.600 4 HG2 PRO 91 HG2 PRO 91 -4.617 -13.111 2.660 5 HG3 PRO 91 HG3 PRO 91 -5.961 -12.002 2.285 6 HD2 PRO 91 HD2 PRO 91 -5.069 -14.487 0.846 7 HD3 PRO 91 HD3 PRO 91 -6.730 -13.850 1.076 No H/Q in entry = 7 In of MODEL 22 1 H LYS 92 H LYS 92 -4.274 -9.261 -1.106 2 HA LYS 92 HA LYS 92 -3.028 -10.451 -3.486 3 HB2 LYS 92 HB2 LYS 92 -4.974 -9.011 -3.966 4 HB3 LYS 92 HB3 LYS 92 -4.162 -7.671 -3.172 5 HG2 LYS 92 HG2 LYS 92 -3.858 -7.448 -5.534 6 HG3 LYS 92 HG3 LYS 92 -2.312 -7.900 -4.803 7 HD2 LYS 92 HD2 LYS 92 -2.458 -9.284 -6.665 8 HD3 LYS 92 HD3 LYS 92 -3.009 -10.301 -5.329 9 HE2 LYS 92 HE2 LYS 92 -4.437 -10.554 -7.295 10 HE3 LYS 92 HE3 LYS 92 -5.320 -9.874 -5.929 11 HZ1 LYS 92 HZ1 LYS 92 -4.129 -8.140 -8.013 12 HZ2 LYS 92 HZ2 LYS 92 -5.670 -8.824 -8.203 13 HZ3 LYS 92 HZ3 LYS 92 -5.364 -7.773 -6.908 No H/Q in entry = 13 In of MODEL 22 1 H ILE 93 H ILE 93 -0.928 -10.263 -3.692 2 HA ILE 93 HA ILE 93 0.414 -8.075 -2.266 3 HB ILE 93 HB ILE 93 1.521 -10.729 -3.162 4 HG12 ILE 93 HG12 ILE 93 2.152 -10.744 -0.636 5 HG13 ILE 93 HG13 ILE 93 0.924 -9.500 -0.494 6 HG21 ILE 93 HG21 ILE 93 3.166 -8.991 -3.593 7 HG22 ILE 93 HG22 ILE 93 2.998 -8.408 -1.937 8 HG23 ILE 93 HG23 ILE 93 3.672 -10.008 -2.242 9 HD11 ILE 93 HD11 ILE 93 0.482 -12.273 -1.561 10 HD12 ILE 93 HD12 ILE 93 0.079 -11.716 0.062 11 HD13 ILE 93 HD13 ILE 93 -0.749 -11.032 -1.335 No H/Q in entry = 11 In of MODEL 22 1 H VAL 94 H VAL 94 1.257 -6.550 -3.422 2 HA VAL 94 HA VAL 94 2.185 -7.142 -6.145 3 HB VAL 94 HB VAL 94 0.899 -4.553 -5.230 4 HG11 VAL 94 HG11 VAL 94 2.710 -4.165 -6.815 5 HG12 VAL 94 HG12 VAL 94 2.007 -5.340 -7.925 6 HG13 VAL 94 HG13 VAL 94 1.146 -3.844 -7.564 7 HG21 VAL 94 HG21 VAL 94 -0.731 -6.343 -5.591 8 HG22 VAL 94 HG22 VAL 94 -0.866 -5.093 -6.829 9 HG23 VAL 94 HG23 VAL 94 -0.072 -6.623 -7.203 No H/Q in entry = 9 In of MODEL 22 1 H LYS 95 H LYS 95 4.238 -6.642 -6.453 2 HA LYS 95 HA LYS 95 5.761 -5.725 -4.182 3 HB2 LYS 95 HB2 LYS 95 6.522 -6.739 -6.892 4 HB3 LYS 95 HB3 LYS 95 7.705 -6.031 -5.802 5 HG2 LYS 95 HG2 LYS 95 7.189 -7.713 -4.122 6 HG3 LYS 95 HG3 LYS 95 6.006 -8.440 -5.217 7 HD2 LYS 95 HD2 LYS 95 7.608 -9.294 -6.601 8 HD3 LYS 95 HD3 LYS 95 8.757 -8.008 -6.232 9 HE2 LYS 95 HE2 LYS 95 9.475 -10.194 -5.365 10 HE3 LYS 95 HE3 LYS 95 9.244 -9.000 -4.090 11 HZ1 LYS 95 HZ1 LYS 95 7.295 -11.124 -4.828 12 HZ2 LYS 95 HZ2 LYS 95 8.340 -11.169 -3.495 13 HZ3 LYS 95 HZ3 LYS 95 7.120 -10.003 -3.575 No H/Q in entry = 13 In of MODEL 22 1 H TRP 96 H TRP 96 7.139 -3.938 -4.152 2 HA TRP 96 HA TRP 96 5.990 -1.634 -5.396 3 HB2 TRP 96 HB2 TRP 96 6.839 -1.468 -3.124 4 HB3 TRP 96 HB3 TRP 96 8.455 -1.961 -3.634 5 HD1 TRP 96 HD1 TRP 96 6.018 0.887 -4.677 6 HE1 TRP 96 HE1 TRP 96 7.372 3.057 -4.831 7 HE3 TRP 96 HE3 TRP 96 10.616 -0.956 -3.409 8 HZ2 TRP 96 HZ2 TRP 96 10.049 3.894 -4.438 9 HZ3 TRP 96 HZ3 TRP 96 12.527 0.592 -3.316 10 HH2 TRP 96 HH2 TRP 96 12.239 2.984 -3.833 No H/Q in entry = 10 In of MODEL 22 1 H ASP 97 H ASP 97 6.357 -1.099 -7.398 2 HA ASP 97 HA ASP 97 9.020 -1.600 -8.567 3 HB2 ASP 97 HB2 ASP 97 6.390 -1.100 -10.006 4 HB3 ASP 97 HB3 ASP 97 7.952 -1.257 -10.791 No H/Q in entry = 4 In of MODEL 22 1 H ARG 98 H ARG 98 10.295 0.046 -8.833 2 HA ARG 98 HA ARG 98 9.259 2.713 -8.381 3 HB2 ARG 98 HB2 ARG 98 11.588 3.394 -8.234 4 HB3 ARG 98 HB3 ARG 98 11.318 1.980 -7.242 5 HG2 ARG 98 HG2 ARG 98 13.119 1.120 -8.191 6 HG3 ARG 98 HG3 ARG 98 12.143 0.919 -9.645 7 HD2 ARG 98 HD2 ARG 98 14.217 2.050 -10.189 8 HD3 ARG 98 HD3 ARG 98 12.856 3.149 -10.410 9 HE ARG 98 HE ARG 98 13.730 3.637 -7.867 10 HH11 ARG 98 HH11 ARG 98 15.211 3.651 -11.033 11 HH12 ARG 98 HH12 ARG 98 16.335 4.922 -10.644 12 HH21 ARG 98 HH21 ARG 98 15.227 5.300 -7.342 13 HH22 ARG 98 HH22 ARG 98 16.365 5.829 -8.543 No H/Q in entry = 13 In of MODEL 22 1 H ASP 99 H ASP 99 10.884 0.897 -10.914 2 HA ASP 99 HA ASP 99 9.932 2.864 -12.885 3 HB2 ASP 99 HB2 ASP 99 12.316 3.308 -12.277 4 HB3 ASP 99 HB3 ASP 99 12.709 1.680 -12.819 No H/Q in entry = 4 In of MODEL 22 1 H MET 100 H MET 100 9.999 -0.229 -11.868 2 HA MET 100 HA MET 100 10.634 -1.667 -14.249 3 HB2 MET 100 HB2 MET 100 9.113 -2.633 -11.815 4 HB3 MET 100 HB3 MET 100 9.882 -3.639 -13.036 5 HG2 MET 100 HG2 MET 100 11.278 -1.785 -11.124 6 HG3 MET 100 HG3 MET 100 11.214 -3.545 -11.015 7 HE1 MET 100 HE1 MET 100 11.541 -4.419 -14.037 8 HE2 MET 100 HE2 MET 100 13.290 -4.626 -14.152 9 HE3 MET 100 HE3 MET 100 12.428 -5.179 -12.715 No H/Q in entry = 9 In of MODEL 23 1 HA ILE 2 HA ILE 2 -21.320 -10.053 -4.411 2 HB ILE 2 HB ILE 2 -19.594 -10.671 -6.129 3 HG12 ILE 2 HG12 ILE 2 -21.055 -8.648 -7.858 4 HG13 ILE 2 HG13 ILE 2 -19.399 -8.483 -7.276 5 HG21 ILE 2 HG21 ILE 2 -22.470 -10.665 -7.030 6 HG22 ILE 2 HG22 ILE 2 -21.197 -11.687 -7.701 7 HG23 ILE 2 HG23 ILE 2 -21.680 -11.872 -6.013 8 HD11 ILE 2 HD11 ILE 2 -18.779 -10.481 -8.563 9 HD12 ILE 2 HD12 ILE 2 -20.427 -10.569 -9.185 10 HD13 ILE 2 HD13 ILE 2 -19.409 -9.182 -9.574 No H/Q in entry = 10 In of MODEL 23 1 H GLN 3 H GLN 3 -21.033 -7.111 -3.906 2 HA GLN 3 HA GLN 3 -19.544 -5.612 -3.099 3 HB2 GLN 3 HB2 GLN 3 -18.966 -7.876 -1.860 4 HB3 GLN 3 HB3 GLN 3 -17.500 -7.786 -2.810 5 HG2 GLN 3 HG2 GLN 3 -16.974 -6.843 -0.724 6 HG3 GLN 3 HG3 GLN 3 -17.155 -5.480 -1.836 7 HE21 GLN 3 HE21 GLN 3 -18.963 -4.129 -1.624 8 HE22 GLN 3 HE22 GLN 3 -19.936 -4.123 -0.202 No H/Q in entry = 8 In of MODEL 23 1 H ARG 4 H ARG 4 -16.986 -4.976 -3.406 2 HA ARG 4 HA ARG 4 -16.334 -5.449 -6.233 3 HB2 ARG 4 HB2 ARG 4 -17.319 -3.210 -6.039 4 HB3 ARG 4 HB3 ARG 4 -16.171 -2.801 -4.771 5 HG2 ARG 4 HG2 ARG 4 -14.404 -2.540 -6.224 6 HG3 ARG 4 HG3 ARG 4 -15.080 -3.670 -7.407 7 HD2 ARG 4 HD2 ARG 4 -15.103 -1.383 -8.262 8 HD3 ARG 4 HD3 ARG 4 -16.749 -1.976 -8.055 9 HE ARG 4 HE ARG 4 -15.522 -0.321 -5.962 10 HH11 ARG 4 HH11 ARG 4 -17.940 -0.741 -8.473 11 HH12 ARG 4 HH12 ARG 4 -18.834 0.676 -8.014 12 HH21 ARG 4 HH21 ARG 4 -16.702 1.547 -5.374 13 HH22 ARG 4 HH22 ARG 4 -18.139 1.975 -6.253 No H/Q in entry = 13 In of MODEL 23 1 H THR 5 H THR 5 -14.203 -5.766 -6.708 2 HA THR 5 HA THR 5 -12.548 -6.549 -4.534 3 HB THR 5 HB THR 5 -10.912 -7.228 -6.172 4 HG1 THR 5 HG1 THR 5 -11.789 -5.176 -7.553 5 HG21 THR 5 HG21 THR 5 -13.758 -7.778 -6.956 6 HG22 THR 5 HG22 THR 5 -12.396 -8.501 -7.812 7 HG23 THR 5 HG23 THR 5 -12.623 -8.817 -6.098 No H/Q in entry = 7 In of MODEL 23 1 HA PRO 6 HA PRO 6 -10.590 -2.528 -4.037 2 HB2 PRO 6 HB2 PRO 6 -8.965 -3.843 -1.998 3 HB3 PRO 6 HB3 PRO 6 -10.138 -2.539 -1.808 4 HG2 PRO 6 HG2 PRO 6 -10.551 -5.072 -0.880 5 HG3 PRO 6 HG3 PRO 6 -11.872 -3.978 -1.362 6 HD2 PRO 6 HD2 PRO 6 -10.646 -6.274 -2.863 7 HD3 PRO 6 HD3 PRO 6 -12.341 -5.733 -2.784 No H/Q in entry = 7 In of MODEL 23 1 H LYS 7 H LYS 7 -8.900 -1.855 -5.170 2 HA LYS 7 HA LYS 7 -7.210 -3.942 -6.321 3 HB2 LYS 7 HB2 LYS 7 -8.641 -2.456 -7.760 4 HB3 LYS 7 HB3 LYS 7 -7.660 -1.095 -7.246 5 HG2 LYS 7 HG2 LYS 7 -5.711 -2.067 -8.301 6 HG3 LYS 7 HG3 LYS 7 -6.652 -3.490 -8.765 7 HD2 LYS 7 HD2 LYS 7 -8.167 -2.017 -10.052 8 HD3 LYS 7 HD3 LYS 7 -7.132 -0.647 -9.653 9 HE2 LYS 7 HE2 LYS 7 -5.282 -1.676 -10.840 10 HE3 LYS 7 HE3 LYS 7 -6.271 -3.097 -11.185 11 HZ1 LYS 7 HZ1 LYS 7 -7.785 -1.674 -12.442 12 HZ2 LYS 7 HZ2 LYS 7 -6.794 -0.332 -12.141 13 HZ3 LYS 7 HZ3 LYS 7 -6.216 -1.620 -13.083 No H/Q in entry = 13 In of MODEL 23 1 H ILE 8 H ILE 8 -4.979 -3.737 -6.436 2 HA ILE 8 HA ILE 8 -3.866 -2.174 -4.239 3 HB ILE 8 HB ILE 8 -2.211 -3.986 -5.955 4 HG12 ILE 8 HG12 ILE 8 -4.180 -5.319 -5.448 5 HG13 ILE 8 HG13 ILE 8 -2.815 -5.883 -4.496 6 HG21 ILE 8 HG21 ILE 8 -1.119 -2.629 -4.261 7 HG22 ILE 8 HG22 ILE 8 -2.181 -3.291 -3.019 8 HG23 ILE 8 HG23 ILE 8 -1.022 -4.338 -3.838 9 HD11 ILE 8 HD11 ILE 8 -3.672 -4.657 -2.570 10 HD12 ILE 8 HD12 ILE 8 -5.054 -4.134 -3.531 11 HD13 ILE 8 HD13 ILE 8 -4.825 -5.848 -3.177 No H/Q in entry = 11 In of MODEL 23 1 H GLN 9 H GLN 9 -2.782 -0.364 -4.549 2 HA GLN 9 HA GLN 9 -1.222 -0.083 -7.007 3 HB2 GLN 9 HB2 GLN 9 -2.308 2.518 -6.155 4 HB3 GLN 9 HB3 GLN 9 -2.338 1.853 -7.789 5 HG2 GLN 9 HG2 GLN 9 -4.320 0.680 -7.409 6 HG3 GLN 9 HG3 GLN 9 -4.258 0.928 -5.671 7 HE21 GLN 9 HE21 GLN 9 -3.535 3.465 -7.967 8 HE22 GLN 9 HE22 GLN 9 -4.957 4.407 -7.661 No H/Q in entry = 8 In of MODEL 23 1 H VAL 10 H VAL 10 0.803 0.225 -6.384 2 HA VAL 10 HA VAL 10 1.379 1.725 -3.943 3 HB VAL 10 HB VAL 10 1.863 -0.237 -2.888 4 HG11 VAL 10 HG11 VAL 10 0.896 -1.629 -4.658 5 HG12 VAL 10 HG12 VAL 10 2.449 -1.620 -5.498 6 HG13 VAL 10 HG13 VAL 10 2.310 -2.370 -3.900 7 HG21 VAL 10 HG21 VAL 10 4.304 -0.096 -4.653 8 HG22 VAL 10 HG22 VAL 10 4.061 0.760 -3.130 9 HG23 VAL 10 HG23 VAL 10 4.173 -0.999 -3.145 No H/Q in entry = 9 In of MODEL 23 1 H TYR 11 H TYR 11 3.011 3.097 -4.062 2 HA TYR 11 HA TYR 11 5.106 2.888 -6.014 3 HB2 TYR 11 HB2 TYR 11 4.596 4.994 -7.178 4 HB3 TYR 11 HB3 TYR 11 3.318 3.810 -7.419 5 HD1 TYR 11 HD1 TYR 11 1.096 4.203 -6.588 6 HD2 TYR 11 HD2 TYR 11 4.221 6.961 -5.745 7 HE1 TYR 11 HE1 TYR 11 -0.569 5.849 -5.835 8 HE2 TYR 11 HE2 TYR 11 2.568 8.613 -4.989 9 HH TYR 11 HH TYR 11 -0.764 7.805 -4.526 No H/Q in entry = 9 In of MODEL 23 1 H SER 12 H SER 12 6.573 4.854 -5.860 2 HA SER 12 HA SER 12 6.912 5.528 -3.059 3 HB2 SER 12 HB2 SER 12 8.874 4.833 -4.317 4 HB3 SER 12 HB3 SER 12 8.566 6.063 -5.534 5 HG SER 12 HG SER 12 9.508 7.500 -4.323 No H/Q in entry = 5 In of MODEL 23 1 H ARG 13 H ARG 13 6.639 7.505 -2.156 2 HA ARG 13 HA ARG 13 4.978 9.406 -3.473 3 HB2 ARG 13 HB2 ARG 13 5.420 8.887 -0.904 4 HB3 ARG 13 HB3 ARG 13 6.623 10.144 -1.076 5 HG2 ARG 13 HG2 ARG 13 3.649 10.357 -1.301 6 HG3 ARG 13 HG3 ARG 13 4.732 11.237 -0.232 7 HD2 ARG 13 HD2 ARG 13 4.530 12.896 -1.728 8 HD3 ARG 13 HD3 ARG 13 5.607 11.931 -2.725 9 HE ARG 13 HE ARG 13 2.922 11.108 -3.088 10 HH11 ARG 13 HH11 ARG 13 5.097 13.727 -3.924 11 HH12 ARG 13 HH12 ARG 13 4.311 14.057 -5.442 12 HH21 ARG 13 HH21 ARG 13 1.891 11.538 -5.045 13 HH22 ARG 13 HH22 ARG 13 2.480 12.795 -6.092 No H/Q in entry = 13 In of MODEL 23 1 H HIS 14 H HIS 14 8.401 9.531 -2.516 2 HA HIS 14 HA HIS 14 8.792 11.855 -4.236 3 HB2 HIS 14 HB2 HIS 14 10.366 10.702 -1.927 4 HB3 HIS 14 HB3 HIS 14 10.982 12.030 -2.896 5 HD2 HIS 14 HD2 HIS 14 7.916 13.600 -2.878 6 HE1 HIS 14 HE1 HIS 14 8.788 13.746 1.260 7 HE2 HIS 14 HE2 HIS 14 7.389 14.733 -0.604 No H/Q in entry = 7 In of MODEL 23 1 HA PRO 15 HA PRO 15 11.702 9.574 -6.900 2 HB2 PRO 15 HB2 PRO 15 14.238 10.535 -6.336 3 HB3 PRO 15 HB3 PRO 15 13.100 11.282 -7.474 4 HG2 PRO 15 HG2 PRO 15 13.724 12.048 -4.619 5 HG3 PRO 15 HG3 PRO 15 13.368 13.099 -6.033 6 HD2 PRO 15 HD2 PRO 15 11.523 12.569 -4.112 7 HD3 PRO 15 HD3 PRO 15 11.074 12.806 -5.827 No H/Q in entry = 7 In of MODEL 23 1 H ALA 16 H ALA 16 11.739 7.523 -6.212 2 HA ALA 16 HA ALA 16 12.713 6.510 -3.818 3 HB1 ALA 16 HB1 ALA 16 11.197 5.313 -5.356 4 HB2 ALA 16 HB2 ALA 16 12.549 5.086 -6.466 5 HB3 ALA 16 HB3 ALA 16 12.589 4.343 -4.867 No H/Q in entry = 5 In of MODEL 23 1 H GLU 17 H GLU 17 14.745 6.405 -3.105 2 HA GLU 17 HA GLU 17 16.873 5.968 -5.076 3 HB2 GLU 17 HB2 GLU 17 16.801 8.340 -4.311 4 HB3 GLU 17 HB3 GLU 17 17.105 7.777 -2.669 5 HG2 GLU 17 HG2 GLU 17 19.152 8.565 -3.731 6 HG3 GLU 17 HG3 GLU 17 19.236 6.842 -3.370 No H/Q in entry = 6 In of MODEL 23 1 H ASN 18 H ASN 18 18.313 4.476 -4.602 2 HA ASN 18 HA ASN 18 17.892 2.791 -2.299 3 HB2 ASN 18 HB2 ASN 18 18.363 1.455 -4.099 4 HB3 ASN 18 HB3 ASN 18 19.460 2.626 -4.830 5 HD21 ASN 18 HD21 ASN 18 21.110 1.233 -5.226 6 HD22 ASN 18 HD22 ASN 18 22.038 0.457 -3.982 No H/Q in entry = 6 In of MODEL 23 1 H GLY 19 H GLY 19 18.926 2.839 -0.475 2 HA2 GLY 19 HA2 GLY 19 21.607 3.964 -0.229 3 HA3 GLY 19 HA3 GLY 19 20.675 3.161 1.050 No H/Q in entry = 3 In of MODEL 23 1 H LYS 20 H LYS 20 18.311 4.789 0.286 2 HA LYS 20 HA LYS 20 19.023 7.252 1.687 3 HB2 LYS 20 HB2 LYS 20 19.176 7.647 -0.731 4 HB3 LYS 20 HB3 LYS 20 17.538 7.055 -0.929 5 HG2 LYS 20 HG2 LYS 20 17.537 9.443 -0.967 6 HG3 LYS 20 HG3 LYS 20 16.708 8.876 0.470 7 HD2 LYS 20 HD2 LYS 20 18.565 9.419 1.799 8 HD3 LYS 20 HD3 LYS 20 19.567 9.786 0.415 9 HE2 LYS 20 HE2 LYS 20 17.110 11.294 1.317 10 HE3 LYS 20 HE3 LYS 20 18.781 11.846 1.432 11 HZ1 LYS 20 HZ1 LYS 20 18.916 11.815 -0.985 12 HZ2 LYS 20 HZ2 LYS 20 17.298 11.310 -1.088 13 HZ3 LYS 20 HZ3 LYS 20 17.669 12.837 -0.452 No H/Q in entry = 13 In of MODEL 23 1 H SER 21 H SER 21 17.348 8.191 2.790 2 HA SER 21 HA SER 21 15.169 6.478 3.511 3 HB2 SER 21 HB2 SER 21 15.836 9.322 4.278 4 HB3 SER 21 HB3 SER 21 14.591 8.326 5.035 5 HG SER 21 HG SER 21 16.095 7.134 6.011 No H/Q in entry = 5 In of MODEL 23 1 H ASN 22 H ASN 22 13.053 6.726 2.971 2 HA ASN 22 HA ASN 22 12.263 8.833 1.105 3 HB2 ASN 22 HB2 ASN 22 13.461 6.889 -0.154 4 HB3 ASN 22 HB3 ASN 22 12.069 5.918 0.294 5 HD21 ASN 22 HD21 ASN 22 10.252 6.065 -0.824 6 HD22 ASN 22 HD22 ASN 22 10.027 7.070 -2.212 No H/Q in entry = 6 In of MODEL 23 1 H PHE 23 H PHE 23 9.849 8.209 0.326 2 HA PHE 23 HA PHE 23 8.440 7.199 2.705 3 HB2 PHE 23 HB2 PHE 23 7.807 9.567 0.952 4 HB3 PHE 23 HB3 PHE 23 6.591 8.800 1.959 5 HD1 PHE 23 HD1 PHE 23 9.927 10.445 2.148 6 HD2 PHE 23 HD2 PHE 23 6.279 9.491 4.110 7 HE1 PHE 23 HE1 PHE 23 10.562 11.899 4.034 8 HE2 PHE 23 HE2 PHE 23 6.900 10.934 6.001 9 HZ PHE 23 HZ PHE 23 9.052 12.125 5.970 No H/Q in entry = 9 In of MODEL 23 1 H LEU 24 H LEU 24 7.154 5.533 2.291 2 HA LEU 24 HA LEU 24 6.596 4.760 -0.463 3 HB2 LEU 24 HB2 LEU 24 6.988 3.413 1.932 4 HB3 LEU 24 HB3 LEU 24 5.276 3.224 1.627 5 HG LEU 24 HG LEU 24 7.557 2.316 -0.155 6 HD11 LEU 24 HD11 LEU 24 5.480 0.796 1.428 7 HD12 LEU 24 HD12 LEU 24 6.685 0.078 0.354 8 HD13 LEU 24 HD13 LEU 24 7.196 0.931 1.812 9 HD21 LEU 24 HD21 LEU 24 4.580 2.136 -0.624 10 HD22 LEU 24 HD22 LEU 24 5.770 2.988 -1.616 11 HD23 LEU 24 HD23 LEU 24 5.801 1.227 -1.519 No H/Q in entry = 11 In of MODEL 23 1 H ASN 25 H ASN 25 4.464 4.395 -1.194 2 HA ASN 25 HA ASN 25 2.283 5.240 0.538 3 HB2 ASN 25 HB2 ASN 25 2.955 6.539 -2.061 4 HB3 ASN 25 HB3 ASN 25 1.257 6.218 -1.737 5 HD21 ASN 25 HD21 ASN 25 2.394 8.761 -2.049 6 HD22 ASN 25 HD22 ASN 25 2.207 9.618 -0.557 No H/Q in entry = 6 In of MODEL 23 1 H CYS 26 H CYS 26 0.838 3.695 0.590 2 HA CYS 26 HA CYS 26 0.467 2.044 -1.782 3 HB2 CYS 26 HB2 CYS 26 1.081 1.128 1.000 4 HB3 CYS 26 HB3 CYS 26 0.134 0.104 -0.071 No H/Q in entry = 4 In of MODEL 23 1 H TYR 27 H TYR 27 -1.508 1.985 -2.409 2 HA TYR 27 HA TYR 27 -3.517 3.257 -0.663 3 HB2 TYR 27 HB2 TYR 27 -2.842 3.690 -3.559 4 HB3 TYR 27 HB3 TYR 27 -4.469 4.000 -2.987 5 HD1 TYR 27 HD1 TYR 27 -4.996 6.002 -1.800 6 HD2 TYR 27 HD2 TYR 27 -0.922 5.111 -2.701 7 HE1 TYR 27 HE1 TYR 27 -4.377 8.325 -1.317 8 HE2 TYR 27 HE2 TYR 27 -0.306 7.430 -2.214 9 HH TYR 27 HH TYR 27 -2.460 9.638 -0.691 No H/Q in entry = 9 In of MODEL 23 1 H VAL 28 H VAL 28 -5.253 2.055 -0.318 2 HA VAL 28 HA VAL 28 -6.066 0.169 -2.427 3 HB VAL 28 HB VAL 28 -6.734 -0.297 0.466 4 HG11 VAL 28 HG11 VAL 28 -6.581 -2.029 -1.987 5 HG12 VAL 28 HG12 VAL 28 -6.886 -2.640 -0.360 6 HG13 VAL 28 HG13 VAL 28 -8.033 -1.531 -1.113 7 HG21 VAL 28 HG21 VAL 28 -4.269 -1.272 -0.974 8 HG22 VAL 28 HG22 VAL 28 -4.315 -0.203 0.433 9 HG23 VAL 28 HG23 VAL 28 -4.840 -1.884 0.582 No H/Q in entry = 9 In of MODEL 23 1 H SER 29 H SER 29 -7.770 1.110 -3.383 2 HA SER 29 HA SER 29 -9.905 2.195 -1.705 3 HB2 SER 29 HB2 SER 29 -8.614 3.777 -3.942 4 HB3 SER 29 HB3 SER 29 -9.986 4.294 -2.957 5 HG SER 29 HG SER 29 -7.824 3.507 -1.476 No H/Q in entry = 5 In of MODEL 23 1 H GLY 30 H GLY 30 -11.704 3.088 -3.312 2 HA2 GLY 30 HA2 GLY 30 -11.926 1.610 -5.781 3 HA3 GLY 30 HA3 GLY 30 -13.101 2.741 -5.126 No H/Q in entry = 3 In of MODEL 23 1 H PHE 31 H PHE 31 -13.025 1.271 -2.517 2 HA PHE 31 HA PHE 31 -14.668 -1.034 -3.327 3 HB2 PHE 31 HB2 PHE 31 -13.731 -2.314 -1.451 4 HB3 PHE 31 HB3 PHE 31 -12.429 -1.752 -2.520 5 HD1 PHE 31 HD1 PHE 31 -13.840 -1.606 0.808 6 HD2 PHE 31 HD2 PHE 31 -11.041 0.197 -1.837 7 HE1 PHE 31 HE1 PHE 31 -12.755 -0.495 2.715 8 HE2 PHE 31 HE2 PHE 31 -9.962 1.313 0.064 9 HZ PHE 31 HZ PHE 31 -10.820 0.973 2.340 No H/Q in entry = 9 In of MODEL 23 1 H HIS 32 H HIS 32 -15.816 -1.906 -1.247 2 HA HIS 32 HA HIS 32 -16.259 -0.104 0.901 3 HB2 HIS 32 HB2 HIS 32 -18.733 0.022 0.660 4 HB3 HIS 32 HB3 HIS 32 -17.896 0.872 -0.629 5 HD2 HIS 32 HD2 HIS 32 -17.684 -0.935 -3.034 6 HE1 HIS 32 HE1 HIS 32 -21.549 -2.409 -2.144 7 HE2 HIS 32 HE2 HIS 32 -19.867 -1.966 -3.993 No H/Q in entry = 7 In of MODEL 23 1 HA PRO 33 HA PRO 33 -18.359 -0.353 2.698 2 HB2 PRO 33 HB2 PRO 33 -17.118 -1.569 5.083 3 HB3 PRO 33 HB3 PRO 33 -18.776 -1.015 4.834 4 HG2 PRO 33 HG2 PRO 33 -18.205 -3.614 4.959 5 HG3 PRO 33 HG3 PRO 33 -19.428 -2.996 3.830 6 HD2 PRO 33 HD2 PRO 33 -16.588 -3.797 3.299 7 HD3 PRO 33 HD3 PRO 33 -18.052 -4.141 2.351 No H/Q in entry = 7 In of MODEL 23 1 H SER 34 H SER 34 -17.358 1.211 4.262 2 HA SER 34 HA SER 34 -14.874 2.114 3.201 3 HB2 SER 34 HB2 SER 34 -16.287 3.176 5.655 4 HB3 SER 34 HB3 SER 34 -15.153 4.047 4.613 5 HG SER 34 HG SER 34 -17.831 3.337 4.166 No H/Q in entry = 5 In of MODEL 23 1 H ASP 35 H ASP 35 -14.371 -0.373 4.327 2 HA ASP 35 HA ASP 35 -12.081 0.377 5.911 3 HB2 ASP 35 HB2 ASP 35 -12.518 -0.820 7.897 4 HB3 ASP 35 HB3 ASP 35 -14.029 0.026 7.579 No H/Q in entry = 4 In of MODEL 23 1 H ILE 36 H ILE 36 -10.417 -0.837 5.415 2 HA ILE 36 HA ILE 36 -10.714 -3.663 4.742 3 HB ILE 36 HB ILE 36 -10.607 -2.287 2.560 4 HG12 ILE 36 HG12 ILE 36 -8.740 -4.519 3.305 5 HG13 ILE 36 HG13 ILE 36 -10.174 -4.568 2.285 6 HG21 ILE 36 HG21 ILE 36 -7.785 -1.908 3.554 7 HG22 ILE 36 HG22 ILE 36 -8.306 -1.603 1.894 8 HG23 ILE 36 HG23 ILE 36 -8.957 -0.636 3.213 9 HD11 ILE 36 HD11 ILE 36 -7.559 -3.274 1.532 10 HD12 ILE 36 HD12 ILE 36 -8.080 -4.881 1.028 11 HD13 ILE 36 HD13 ILE 36 -8.973 -3.457 0.494 No H/Q in entry = 11 In of MODEL 23 1 H GLU 37 H GLU 37 -8.668 -4.828 5.112 2 HA GLU 37 HA GLU 37 -6.813 -3.263 6.743 3 HB2 GLU 37 HB2 GLU 37 -8.001 -5.286 7.748 4 HB3 GLU 37 HB3 GLU 37 -7.040 -6.260 6.649 5 HG2 GLU 37 HG2 GLU 37 -6.110 -6.099 8.952 6 HG3 GLU 37 HG3 GLU 37 -5.001 -5.561 7.692 No H/Q in entry = 6 In of MODEL 23 1 H VAL 38 H VAL 38 -4.832 -2.979 6.033 2 HA VAL 38 HA VAL 38 -3.775 -4.728 3.973 3 HB VAL 38 HB VAL 38 -4.145 -3.320 2.305 4 HG11 VAL 38 HG11 VAL 38 -5.956 -2.332 3.597 5 HG12 VAL 38 HG12 VAL 38 -4.836 -1.142 4.261 6 HG13 VAL 38 HG13 VAL 38 -5.185 -1.156 2.530 7 HG21 VAL 38 HG21 VAL 38 -2.320 -1.427 3.777 8 HG22 VAL 38 HG22 VAL 38 -1.842 -2.667 2.619 9 HG23 VAL 38 HG23 VAL 38 -2.792 -1.277 2.084 No H/Q in entry = 9 In of MODEL 23 1 H ASP 39 H ASP 39 -1.644 -4.964 4.031 2 HA ASP 39 HA ASP 39 -0.165 -3.551 6.154 3 HB2 ASP 39 HB2 ASP 39 -0.387 -6.546 5.820 4 HB3 ASP 39 HB3 ASP 39 0.830 -5.783 6.816 No H/Q in entry = 4 In of MODEL 23 1 H LEU 40 H LEU 40 2.094 -3.371 5.830 2 HA LEU 40 HA LEU 40 2.876 -3.852 3.050 3 HB2 LEU 40 HB2 LEU 40 4.318 -2.134 5.055 4 HB3 LEU 40 HB3 LEU 40 4.502 -2.129 3.313 5 HG LEU 40 HG LEU 40 2.187 -1.071 4.923 6 HD11 LEU 40 HD11 LEU 40 4.169 0.239 3.062 7 HD12 LEU 40 HD12 LEU 40 2.784 1.046 3.801 8 HD13 LEU 40 HD13 LEU 40 4.089 0.417 4.820 9 HD21 LEU 40 HD21 LEU 40 2.409 -1.449 1.950 10 HD22 LEU 40 HD22 LEU 40 1.193 -2.118 3.038 11 HD23 LEU 40 HD23 LEU 40 1.240 -0.388 2.724 No H/Q in entry = 11 In of MODEL 23 1 H LEU 41 H LEU 41 4.802 -4.864 2.528 2 HA LEU 41 HA LEU 41 6.028 -6.478 4.675 3 HB2 LEU 41 HB2 LEU 41 5.857 -7.454 1.882 4 HB3 LEU 41 HB3 LEU 41 6.023 -8.349 3.358 5 HG LEU 41 HG LEU 41 3.516 -6.925 2.627 6 HD11 LEU 41 HD11 LEU 41 4.079 -8.582 0.910 7 HD12 LEU 41 HD12 LEU 41 4.212 -9.815 2.161 8 HD13 LEU 41 HD13 LEU 41 2.656 -9.057 1.830 9 HD21 LEU 41 HD21 LEU 41 4.121 -9.110 4.604 10 HD22 LEU 41 HD22 LEU 41 3.751 -7.430 4.983 11 HD23 LEU 41 HD23 LEU 41 2.519 -8.462 4.259 No H/Q in entry = 11 In of MODEL 23 1 H LYS 42 H LYS 42 8.144 -7.407 4.069 2 HA LYS 42 HA LYS 42 9.521 -6.079 1.840 3 HB2 LYS 42 HB2 LYS 42 10.584 -6.818 4.549 4 HB3 LYS 42 HB3 LYS 42 11.605 -6.391 3.194 5 HG2 LYS 42 HG2 LYS 42 10.932 -4.175 3.229 6 HG3 LYS 42 HG3 LYS 42 9.473 -4.526 4.166 7 HD2 LYS 42 HD2 LYS 42 10.925 -5.150 6.093 8 HD3 LYS 42 HD3 LYS 42 12.341 -4.726 5.124 9 HE2 LYS 42 HE2 LYS 42 11.456 -2.410 4.962 10 HE3 LYS 42 HE3 LYS 42 10.149 -2.875 6.053 11 HZ1 LYS 42 HZ1 LYS 42 11.841 -3.455 7.719 12 HZ2 LYS 42 HZ2 LYS 42 13.056 -2.895 6.674 13 HZ3 LYS 42 HZ3 LYS 42 11.901 -1.817 7.292 No H/Q in entry = 13 In of MODEL 23 1 H ASN 43 H ASN 43 9.669 -7.567 0.364 2 HA ASN 43 HA ASN 43 9.994 -9.501 -0.779 3 HB2 ASN 43 HB2 ASN 43 11.654 -9.981 1.656 4 HB3 ASN 43 HB3 ASN 43 11.311 -11.347 0.605 5 HD21 ASN 43 HD21 ASN 43 13.056 -8.415 1.003 6 HD22 ASN 43 HD22 ASN 43 14.001 -8.543 -0.447 No H/Q in entry = 6 In of MODEL 23 1 H GLY 44 H GLY 44 8.492 -9.549 2.280 2 HA2 GLY 44 HA2 GLY 44 7.698 -12.322 2.210 3 HA3 GLY 44 HA3 GLY 44 6.402 -11.172 1.844 No H/Q in entry = 3 In of MODEL 23 1 H GLU 45 H GLU 45 8.784 -9.958 4.034 2 HA GLU 45 HA GLU 45 7.457 -11.060 6.366 3 HB2 GLU 45 HB2 GLU 45 9.331 -10.181 7.601 4 HB3 GLU 45 HB3 GLU 45 9.900 -11.000 6.157 5 HG2 GLU 45 HG2 GLU 45 10.259 -8.916 5.036 6 HG3 GLU 45 HG3 GLU 45 9.598 -8.032 6.408 No H/Q in entry = 6 In of MODEL 23 1 H ARG 46 H ARG 46 6.370 -9.882 7.883 2 HA ARG 46 HA ARG 46 5.152 -7.473 6.957 3 HB2 ARG 46 HB2 ARG 46 4.123 -9.340 8.466 4 HB3 ARG 46 HB3 ARG 46 4.891 -8.457 9.790 5 HG2 ARG 46 HG2 ARG 46 3.597 -6.499 9.299 6 HG3 ARG 46 HG3 ARG 46 2.972 -7.225 7.826 7 HD2 ARG 46 HD2 ARG 46 1.646 -8.799 9.052 8 HD3 ARG 46 HD3 ARG 46 2.446 -8.355 10.570 9 HE ARG 46 HE ARG 46 0.720 -6.493 9.056 10 HH11 ARG 46 HH11 ARG 46 1.790 -7.946 12.040 11 HH12 ARG 46 HH12 ARG 46 0.695 -7.030 13.035 12 HH21 ARG 46 HH21 ARG 46 -0.700 -5.259 10.322 13 HH22 ARG 46 HH22 ARG 46 -0.703 -5.459 12.055 No H/Q in entry = 13 In of MODEL 23 1 H ILE 47 H ILE 47 5.556 -5.438 7.376 2 HA ILE 47 HA ILE 47 8.104 -4.738 8.332 3 HB ILE 47 HB ILE 47 5.783 -3.208 7.276 4 HG12 ILE 47 HG12 ILE 47 8.564 -3.793 6.277 5 HG13 ILE 47 HG13 ILE 47 7.089 -4.586 5.745 6 HG21 ILE 47 HG21 ILE 47 8.388 -2.065 8.227 7 HG22 ILE 47 HG22 ILE 47 7.240 -1.221 7.181 8 HG23 ILE 47 HG23 ILE 47 6.761 -1.698 8.811 9 HD11 ILE 47 HD11 ILE 47 7.728 -1.673 5.381 10 HD12 ILE 47 HD12 ILE 47 7.890 -2.929 4.151 11 HD13 ILE 47 HD13 ILE 47 6.299 -2.517 4.786 No H/Q in entry = 11 In of MODEL 23 1 H GLU 48 H GLU 48 5.104 -4.513 10.070 2 HA GLU 48 HA GLU 48 4.320 -3.552 11.962 3 HB2 GLU 48 HB2 GLU 48 6.882 -3.805 13.354 4 HB3 GLU 48 HB3 GLU 48 5.318 -4.503 13.721 5 HG2 GLU 48 HG2 GLU 48 6.955 -5.488 11.441 6 HG3 GLU 48 HG3 GLU 48 7.220 -6.062 13.083 No H/Q in entry = 6 In of MODEL 23 1 H LYS 49 H LYS 49 6.326 -1.750 10.242 2 HA LYS 49 HA LYS 49 6.440 0.386 12.257 3 HB2 LYS 49 HB2 LYS 49 8.126 0.466 9.788 4 HB3 LYS 49 HB3 LYS 49 8.463 1.088 11.403 5 HG2 LYS 49 HG2 LYS 49 8.091 -1.740 11.458 6 HG3 LYS 49 HG3 LYS 49 9.350 -1.338 10.334 7 HD2 LYS 49 HD2 LYS 49 10.576 -0.190 12.033 8 HD3 LYS 49 HD3 LYS 49 9.205 -0.292 13.140 9 HE2 LYS 49 HE2 LYS 49 10.896 -1.944 13.723 10 HE3 LYS 49 HE3 LYS 49 9.412 -2.726 13.176 11 HZ1 LYS 49 HZ1 LYS 49 10.453 -2.989 10.981 12 HZ2 LYS 49 HZ2 LYS 49 11.896 -2.344 11.596 13 HZ3 LYS 49 HZ3 LYS 49 11.286 -3.809 12.202 No H/Q in entry = 13 In of MODEL 23 1 H VAL 50 H VAL 50 4.653 -0.629 9.797 2 HA VAL 50 HA VAL 50 4.249 1.664 8.208 3 HB VAL 50 HB VAL 50 2.504 -0.735 8.733 4 HG11 VAL 50 HG11 VAL 50 1.250 1.151 7.771 5 HG12 VAL 50 HG12 VAL 50 2.411 1.224 6.443 6 HG13 VAL 50 HG13 VAL 50 1.391 -0.202 6.642 7 HG21 VAL 50 HG21 VAL 50 4.543 -0.188 6.590 8 HG22 VAL 50 HG22 VAL 50 4.676 -1.361 7.899 9 HG23 VAL 50 HG23 VAL 50 3.470 -1.583 6.636 No H/Q in entry = 9 In of MODEL 23 1 H GLU 51 H GLU 51 2.682 3.218 8.291 2 HA GLU 51 HA GLU 51 0.843 3.203 10.588 3 HB2 GLU 51 HB2 GLU 51 2.188 5.653 9.439 4 HB3 GLU 51 HB3 GLU 51 1.111 5.586 10.831 5 HG2 GLU 51 HG2 GLU 51 2.707 4.539 12.159 6 HG3 GLU 51 HG3 GLU 51 3.715 4.114 10.775 No H/Q in entry = 6 In of MODEL 23 1 H HIS 52 H HIS 52 -1.200 3.886 10.174 2 HA HIS 52 HA HIS 52 -1.775 4.855 7.456 3 HB2 HIS 52 HB2 HIS 52 -4.104 4.090 7.802 4 HB3 HIS 52 HB3 HIS 52 -2.943 2.774 7.861 5 HD2 HIS 52 HD2 HIS 52 -2.418 1.878 10.612 6 HE1 HIS 52 HE1 HIS 52 -6.182 3.313 11.902 7 HE2 HIS 52 HE2 HIS 52 -4.122 1.997 12.555 No H/Q in entry = 7 In of MODEL 23 1 H SER 53 H SER 53 -2.631 6.798 7.195 2 HA SER 53 HA SER 53 -2.942 8.544 9.455 3 HB2 SER 53 HB2 SER 53 -2.056 9.232 7.173 4 HB3 SER 53 HB3 SER 53 -3.715 9.137 6.587 5 HG SER 53 HG SER 53 -2.807 11.256 7.428 No H/Q in entry = 5 In of MODEL 23 1 H ASP 54 H ASP 54 -5.098 10.138 8.860 2 HA ASP 54 HA ASP 54 -7.210 8.719 10.056 3 HB2 ASP 54 HB2 ASP 54 -6.990 11.177 10.205 4 HB3 ASP 54 HB3 ASP 54 -7.378 11.308 8.491 No H/Q in entry = 4 In of MODEL 23 1 H LEU 55 H LEU 55 -9.109 7.907 9.281 2 HA LEU 55 HA LEU 55 -9.042 6.187 7.238 3 HB2 LEU 55 HB2 LEU 55 -10.825 6.302 8.932 4 HB3 LEU 55 HB3 LEU 55 -11.543 7.648 8.064 5 HG LEU 55 HG LEU 55 -11.886 6.167 6.099 6 HD11 LEU 55 HD11 LEU 55 -10.092 4.557 6.595 7 HD12 LEU 55 HD12 LEU 55 -11.031 3.956 7.962 8 HD13 LEU 55 HD13 LEU 55 -11.647 3.771 6.321 9 HD21 LEU 55 HD21 LEU 55 -13.668 6.550 7.767 10 HD22 LEU 55 HD22 LEU 55 -13.775 4.969 6.993 11 HD23 LEU 55 HD23 LEU 55 -13.139 5.103 8.629 No H/Q in entry = 11 In of MODEL 23 1 H SER 56 H SER 56 -11.227 8.942 6.703 2 HA SER 56 HA SER 56 -10.034 9.883 4.348 3 HB2 SER 56 HB2 SER 56 -10.615 7.601 3.504 4 HB3 SER 56 HB3 SER 56 -12.312 7.960 3.810 5 HG SER 56 HG SER 56 -12.137 9.683 2.301 No H/Q in entry = 5 In of MODEL 23 1 H PHE 57 H PHE 57 -11.297 11.452 3.261 2 HA PHE 57 HA PHE 57 -13.872 12.106 4.526 3 HB2 PHE 57 HB2 PHE 57 -13.546 14.404 3.762 4 HB3 PHE 57 HB3 PHE 57 -12.160 13.904 4.720 5 HD1 PHE 57 HD1 PHE 57 -10.016 13.361 3.586 6 HD2 PHE 57 HD2 PHE 57 -13.320 15.038 1.492 7 HE1 PHE 57 HE1 PHE 57 -8.515 14.025 1.755 8 HE2 PHE 57 HE2 PHE 57 -11.825 15.702 -0.345 9 HZ PHE 57 HZ PHE 57 -9.418 15.194 -0.213 No H/Q in entry = 9 In of MODEL 23 1 H SER 58 H SER 58 -15.615 12.631 3.081 2 HA SER 58 HA SER 58 -15.309 11.325 0.478 3 HB2 SER 58 HB2 SER 58 -17.235 10.855 2.160 4 HB3 SER 58 HB3 SER 58 -17.904 12.384 1.586 5 HG SER 58 HG SER 58 -17.163 10.238 -0.118 No H/Q in entry = 5 In of MODEL 23 1 H LYS 59 H LYS 59 -16.039 12.375 -1.458 2 HA LYS 59 HA LYS 59 -16.245 15.275 -1.329 3 HB2 LYS 59 HB2 LYS 59 -13.806 14.735 -1.516 4 HB3 LYS 59 HB3 LYS 59 -14.143 13.941 -3.049 5 HG2 LYS 59 HG2 LYS 59 -15.074 16.114 -3.870 6 HG3 LYS 59 HG3 LYS 59 -14.475 16.856 -2.386 7 HD2 LYS 59 HD2 LYS 59 -12.195 16.163 -2.963 8 HD3 LYS 59 HD3 LYS 59 -12.799 15.409 -4.439 9 HE2 LYS 59 HE2 LYS 59 -12.715 18.340 -3.744 10 HE3 LYS 59 HE3 LYS 59 -11.916 17.511 -5.077 11 HZ1 LYS 59 HZ1 LYS 59 -14.257 16.958 -5.863 12 HZ2 LYS 59 HZ2 LYS 59 -14.789 18.148 -4.774 13 HZ3 LYS 59 HZ3 LYS 59 -13.742 18.564 -6.039 No H/Q in entry = 13 In of MODEL 23 1 H ASP 60 H ASP 60 -15.531 12.965 -3.984 2 HA ASP 60 HA ASP 60 -18.125 13.713 -5.144 3 HB2 ASP 60 HB2 ASP 60 -15.522 13.239 -6.618 4 HB3 ASP 60 HB3 ASP 60 -17.080 13.526 -7.382 No H/Q in entry = 4 In of MODEL 23 1 H TRP 61 H TRP 61 -15.482 11.365 -5.532 2 HA TRP 61 HA TRP 61 -17.377 9.431 -6.506 3 HB2 TRP 61 HB2 TRP 61 -14.387 9.202 -6.154 4 HB3 TRP 61 HB3 TRP 61 -15.413 8.029 -6.970 5 HD1 TRP 61 HD1 TRP 61 -13.354 11.024 -7.641 6 HE1 TRP 61 HE1 TRP 61 -13.732 11.868 -10.048 7 HE3 TRP 61 HE3 TRP 61 -17.529 8.310 -8.796 8 HZ2 TRP 61 HZ2 TRP 61 -15.567 11.437 -12.149 9 HZ3 TRP 61 HZ3 TRP 61 -18.545 8.575 -11.014 10 HH2 TRP 61 HH2 TRP 61 -17.571 10.128 -12.677 No H/Q in entry = 10 In of MODEL 23 1 H SER 62 H SER 62 -14.658 8.621 -4.392 2 HA SER 62 HA SER 62 -16.552 7.319 -2.572 3 HB2 SER 62 HB2 SER 62 -14.267 5.970 -4.038 4 HB3 SER 62 HB3 SER 62 -15.123 5.230 -2.680 5 HG SER 62 HG SER 62 -17.087 5.666 -4.031 No H/Q in entry = 5 In of MODEL 23 1 H PHE 63 H PHE 63 -14.814 5.938 -0.997 2 HA PHE 63 HA PHE 63 -13.240 8.075 0.252 3 HB2 PHE 63 HB2 PHE 63 -13.976 5.372 1.418 4 HB3 PHE 63 HB3 PHE 63 -13.310 6.747 2.283 5 HD1 PHE 63 HD1 PHE 63 -14.738 8.444 3.171 6 HD2 PHE 63 HD2 PHE 63 -16.318 5.444 0.590 7 HE1 PHE 63 HE1 PHE 63 -17.036 9.128 3.785 8 HE2 PHE 63 HE2 PHE 63 -18.608 6.125 1.193 9 HZ PHE 63 HZ PHE 63 -18.961 7.965 2.784 No H/Q in entry = 9 In of MODEL 23 1 H TYR 64 H TYR 64 -11.156 7.483 1.180 2 HA TYR 64 HA TYR 64 -9.744 5.441 -0.419 3 HB2 TYR 64 HB2 TYR 64 -8.426 8.032 0.343 4 HB3 TYR 64 HB3 TYR 64 -8.037 6.949 -0.988 5 HD1 TYR 64 HD1 TYR 64 -9.510 6.948 -3.032 6 HD2 TYR 64 HD2 TYR 64 -9.937 9.805 0.089 7 HE1 TYR 64 HE1 TYR 64 -10.832 8.386 -4.532 8 HE2 TYR 64 HE2 TYR 64 -11.249 11.247 -1.391 9 HH TYR 64 HH TYR 64 -11.566 11.631 -3.778 No H/Q in entry = 9 In of MODEL 23 1 H LEU 65 H LEU 65 -7.991 4.415 0.693 2 HA LEU 65 HA LEU 65 -7.508 5.354 3.416 3 HB2 LEU 65 HB2 LEU 65 -9.045 3.648 3.856 4 HB3 LEU 65 HB3 LEU 65 -8.377 2.582 2.640 5 HG LEU 65 HG LEU 65 -6.663 3.247 4.999 6 HD11 LEU 65 HD11 LEU 65 -8.978 2.812 5.842 7 HD12 LEU 65 HD12 LEU 65 -8.873 1.213 5.107 8 HD13 LEU 65 HD13 LEU 65 -7.756 1.670 6.394 9 HD21 LEU 65 HD21 LEU 65 -5.901 1.813 3.114 10 HD22 LEU 65 HD22 LEU 65 -5.910 0.988 4.672 11 HD23 LEU 65 HD23 LEU 65 -7.199 0.682 3.503 No H/Q in entry = 11 In of MODEL 23 1 H LEU 66 H LEU 66 -5.448 5.325 4.046 2 HA LEU 66 HA LEU 66 -3.534 4.513 1.967 3 HB2 LEU 66 HB2 LEU 66 -4.120 7.027 2.638 4 HB3 LEU 66 HB3 LEU 66 -2.941 6.703 3.879 5 HG LEU 66 HG LEU 66 -2.415 6.490 0.923 6 HD11 LEU 66 HD11 LEU 66 -1.644 8.606 2.920 7 HD12 LEU 66 HD12 LEU 66 -1.033 8.501 1.269 8 HD13 LEU 66 HD13 LEU 66 -2.749 8.791 1.559 9 HD21 LEU 66 HD21 LEU 66 -0.629 6.159 3.310 10 HD22 LEU 66 HD22 LEU 66 -0.978 4.980 2.051 11 HD23 LEU 66 HD23 LEU 66 -0.026 6.416 1.676 No H/Q in entry = 11 In of MODEL 23 1 H TYR 67 H TYR 67 -1.879 3.270 2.557 2 HA TYR 67 HA TYR 67 -1.104 3.139 5.389 3 HB2 TYR 67 HB2 TYR 67 -1.787 0.945 3.521 4 HB3 TYR 67 HB3 TYR 67 -0.383 0.707 4.548 5 HD1 TYR 67 HD1 TYR 67 -4.039 0.875 4.486 6 HD2 TYR 67 HD2 TYR 67 -0.592 0.606 6.964 7 HE1 TYR 67 HE1 TYR 67 -5.422 0.047 6.330 8 HE2 TYR 67 HE2 TYR 67 -1.977 -0.213 8.821 9 HH TYR 67 HH TYR 67 -4.963 -1.438 8.469 No H/Q in entry = 9 In of MODEL 23 1 H TYR 68 H TYR 68 0.887 3.901 5.615 2 HA TYR 68 HA TYR 68 2.832 3.422 3.453 3 HB2 TYR 68 HB2 TYR 68 3.619 5.745 3.555 4 HB3 TYR 68 HB3 TYR 68 1.915 5.688 3.098 5 HD1 TYR 68 HD1 TYR 68 0.190 6.432 4.727 6 HD2 TYR 68 HD2 TYR 68 4.349 6.789 5.560 7 HE1 TYR 68 HE1 TYR 68 -0.312 8.059 6.504 8 HE2 TYR 68 HE2 TYR 68 3.860 8.402 7.349 9 HH TYR 68 HH TYR 68 0.907 8.824 8.703 No H/Q in entry = 9 In of MODEL 23 1 H THR 69 H THR 69 5.085 3.959 4.090 2 HA THR 69 HA THR 69 5.644 4.167 6.920 3 HB THR 69 HB THR 69 5.318 1.727 6.638 4 HG1 THR 69 HG1 THR 69 7.037 2.750 8.017 5 HG21 THR 69 HG21 THR 69 7.520 2.016 4.597 6 HG22 THR 69 HG22 THR 69 7.087 0.476 5.345 7 HG23 THR 69 HG23 THR 69 5.903 1.338 4.361 No H/Q in entry = 7 In of MODEL 23 1 H GLU 70 H GLU 70 7.641 5.045 7.294 2 HA GLU 70 HA GLU 70 9.136 6.043 5.031 3 HB2 GLU 70 HB2 GLU 70 8.738 7.305 7.209 4 HB3 GLU 70 HB3 GLU 70 9.862 6.195 7.976 5 HG2 GLU 70 HG2 GLU 70 10.670 7.856 5.617 6 HG3 GLU 70 HG3 GLU 70 10.697 8.501 7.250 No H/Q in entry = 6 In of MODEL 23 1 H PHE 71 H PHE 71 11.043 5.196 4.232 2 HA PHE 71 HA PHE 71 12.138 2.840 5.511 3 HB2 PHE 71 HB2 PHE 71 11.728 1.320 3.671 4 HB3 PHE 71 HB3 PHE 71 10.196 1.969 4.233 5 HD1 PHE 71 HD1 PHE 71 10.971 0.629 1.550 6 HD2 PHE 71 HD2 PHE 71 10.519 4.673 2.768 7 HE1 PHE 71 HE1 PHE 71 10.401 1.250 -0.760 8 HE2 PHE 71 HE2 PHE 71 9.955 5.307 0.453 9 HZ PHE 71 HZ PHE 71 9.901 3.597 -1.320 No H/Q in entry = 9 In of MODEL 23 1 H THR 72 H THR 72 14.080 2.042 4.452 2 HA THR 72 HA THR 72 15.318 4.013 2.659 3 HB THR 72 HB THR 72 16.774 2.166 4.558 4 HG1 THR 72 HG1 THR 72 15.462 4.540 5.009 5 HG21 THR 72 HG21 THR 72 18.102 2.978 2.658 6 HG22 THR 72 HG22 THR 72 17.671 4.641 3.061 7 HG23 THR 72 HG23 THR 72 18.656 3.689 4.173 No H/Q in entry = 7 In of MODEL 23 1 HA PRO 73 HA PRO 73 14.847 0.167 0.063 2 HB2 PRO 73 HB2 PRO 73 15.495 1.735 -2.201 3 HB3 PRO 73 HB3 PRO 73 13.872 1.249 -1.689 4 HG2 PRO 73 HG2 PRO 73 15.304 3.821 -1.277 5 HG3 PRO 73 HG3 PRO 73 13.570 3.529 -1.496 6 HD2 PRO 73 HD2 PRO 73 14.616 4.125 0.916 7 HD3 PRO 73 HD3 PRO 73 13.248 2.996 0.738 No H/Q in entry = 7 In of MODEL 23 1 H THR 74 H THR 74 16.383 -1.073 -0.873 2 HA THR 74 HA THR 74 19.136 -0.043 -0.975 3 HB THR 74 HB THR 74 20.007 -2.106 -0.088 4 HG1 THR 74 HG1 THR 74 17.294 -2.976 -0.153 5 HG21 THR 74 HG21 THR 74 19.252 -0.442 1.569 6 HG22 THR 74 HG22 THR 74 17.684 -1.249 1.632 7 HG23 THR 74 HG23 THR 74 19.131 -2.094 2.180 No H/Q in entry = 7 In of MODEL 23 1 H GLU 75 H GLU 75 20.417 -2.206 -2.144 2 HA GLU 75 HA GLU 75 19.226 -2.087 -4.799 3 HB2 GLU 75 HB2 GLU 75 21.738 -1.879 -4.247 4 HB3 GLU 75 HB3 GLU 75 21.706 -3.602 -4.013 5 HG2 GLU 75 HG2 GLU 75 22.447 -3.286 -6.176 6 HG3 GLU 75 HG3 GLU 75 20.757 -3.716 -6.328 No H/Q in entry = 6 In of MODEL 23 1 H LYS 76 H LYS 76 19.698 -4.237 -2.110 2 HA LYS 76 HA LYS 76 19.261 -6.644 -3.556 3 HB2 LYS 76 HB2 LYS 76 19.547 -6.132 -0.603 4 HB3 LYS 76 HB3 LYS 76 19.580 -7.707 -1.370 5 HG2 LYS 76 HG2 LYS 76 21.737 -7.500 -1.972 6 HG3 LYS 76 HG3 LYS 76 21.558 -5.794 -2.383 7 HD2 LYS 76 HD2 LYS 76 21.606 -5.182 -0.060 8 HD3 LYS 76 HD3 LYS 76 21.683 -6.880 0.417 9 HE2 LYS 76 HE2 LYS 76 23.849 -7.088 -0.722 10 HE3 LYS 76 HE3 LYS 76 23.761 -5.388 -1.185 11 HZ1 LYS 76 HZ1 LYS 76 23.660 -4.864 1.234 12 HZ2 LYS 76 HZ2 LYS 76 23.997 -6.496 1.558 13 HZ3 LYS 76 HZ3 LYS 76 25.125 -5.545 0.724 No H/Q in entry = 13 In of MODEL 23 1 H ASP 77 H ASP 77 17.287 -4.480 -1.520 2 HA ASP 77 HA ASP 77 15.626 -6.801 -0.821 3 HB2 ASP 77 HB2 ASP 77 14.964 -5.670 1.151 4 HB3 ASP 77 HB3 ASP 77 16.672 -5.318 0.983 No H/Q in entry = 4 In of MODEL 23 1 H GLU 78 H GLU 78 13.268 -6.216 -0.347 2 HA GLU 78 HA GLU 78 12.149 -4.299 -2.231 3 HB2 GLU 78 HB2 GLU 78 10.394 -6.522 -2.486 4 HB3 GLU 78 HB3 GLU 78 11.386 -5.810 -3.753 5 HG2 GLU 78 HG2 GLU 78 12.610 -7.837 -1.973 6 HG3 GLU 78 HG3 GLU 78 11.411 -8.355 -3.156 No H/Q in entry = 6 In of MODEL 23 1 H TYR 79 H TYR 79 10.164 -3.523 -1.559 2 HA TYR 79 HA TYR 79 9.096 -4.610 0.915 3 HB2 TYR 79 HB2 TYR 79 8.671 -1.823 -0.234 4 HB3 TYR 79 HB3 TYR 79 8.098 -2.420 1.322 5 HD1 TYR 79 HD1 TYR 79 9.247 -1.677 3.167 6 HD2 TYR 79 HD2 TYR 79 11.390 -2.173 -0.475 7 HE1 TYR 79 HE1 TYR 79 11.289 -0.868 4.260 8 HE2 TYR 79 HE2 TYR 79 13.442 -1.384 0.620 9 HH TYR 79 HH TYR 79 14.187 -0.178 2.483 No H/Q in entry = 9 In of MODEL 23 1 H ALA 80 H ALA 80 6.747 -4.869 0.973 2 HA ALA 80 HA ALA 80 5.554 -4.915 -1.729 3 HB1 ALA 80 HB1 ALA 80 6.442 -7.172 -1.018 4 HB2 ALA 80 HB2 ALA 80 4.717 -7.124 -1.401 5 HB3 ALA 80 HB3 ALA 80 5.250 -7.143 0.279 No H/Q in entry = 5 In of MODEL 23 1 H CYS 81 H CYS 81 3.161 -5.003 -1.641 2 HA CYS 81 HA CYS 81 2.141 -4.061 0.933 3 HB2 CYS 81 HB2 CYS 81 1.751 -2.788 -1.768 4 HB3 CYS 81 HB3 CYS 81 0.647 -2.465 -0.424 No H/Q in entry = 4 In of MODEL 23 1 H ARG 82 H ARG 82 0.391 -5.012 1.690 2 HA ARG 82 HA ARG 82 -0.829 -7.160 0.046 3 HB2 ARG 82 HB2 ARG 82 0.712 -7.785 2.015 4 HB3 ARG 82 HB3 ARG 82 -0.544 -7.095 3.039 5 HG2 ARG 82 HG2 ARG 82 -2.092 -8.778 1.772 6 HG3 ARG 82 HG3 ARG 82 -0.569 -9.611 1.457 7 HD2 ARG 82 HD2 ARG 82 -1.634 -8.838 4.172 8 HD3 ARG 82 HD3 ARG 82 -1.644 -10.451 3.493 9 HE ARG 82 HE ARG 82 0.965 -9.856 3.467 10 HH11 ARG 82 HH11 ARG 82 -1.473 -9.515 5.961 11 HH12 ARG 82 HH12 ARG 82 -0.404 -9.961 7.258 12 HH21 ARG 82 HH21 ARG 82 2.372 -10.498 5.181 13 HH22 ARG 82 HH22 ARG 82 1.760 -10.539 6.809 No H/Q in entry = 13 In of MODEL 23 1 H VAL 83 H VAL 83 -3.105 -7.324 0.110 2 HA VAL 83 HA VAL 83 -4.452 -5.840 2.261 3 HB VAL 83 HB VAL 83 -6.024 -4.778 0.952 4 HG11 VAL 83 HG11 VAL 83 -3.496 -4.742 -0.640 5 HG12 VAL 83 HG12 VAL 83 -4.814 -3.582 -0.804 6 HG13 VAL 83 HG13 VAL 83 -3.925 -3.701 0.716 7 HG21 VAL 83 HG21 VAL 83 -5.249 -6.534 -1.369 8 HG22 VAL 83 HG22 VAL 83 -6.727 -6.651 -0.415 9 HG23 VAL 83 HG23 VAL 83 -6.438 -5.231 -1.424 No H/Q in entry = 9 In of MODEL 23 1 H ASN 84 H ASN 84 -6.262 -6.718 3.055 2 HA ASN 84 HA ASN 84 -7.084 -9.318 1.976 3 HB2 ASN 84 HB2 ASN 84 -7.348 -8.358 4.839 4 HB3 ASN 84 HB3 ASN 84 -7.729 -9.961 4.241 5 HD21 ASN 84 HD21 ASN 84 -5.080 -7.697 4.731 6 HD22 ASN 84 HD22 ASN 84 -3.860 -8.905 4.947 No H/Q in entry = 6 In of MODEL 23 1 H HIS 85 H HIS 85 -9.088 -9.370 1.120 2 HA HIS 85 HA HIS 85 -11.226 -8.061 2.593 3 HB2 HIS 85 HB2 HIS 85 -10.319 -6.609 0.593 4 HB3 HIS 85 HB3 HIS 85 -11.193 -7.773 -0.395 5 HD2 HIS 85 HD2 HIS 85 -12.043 -5.243 2.519 6 HE1 HIS 85 HE1 HIS 85 -15.419 -5.812 0.022 7 HE2 HIS 85 HE2 HIS 85 -14.417 -4.406 1.875 No H/Q in entry = 7 In of MODEL 23 1 H VAL 86 H VAL 86 -13.364 -8.919 1.839 2 HA VAL 86 HA VAL 86 -13.231 -11.736 1.709 3 HB VAL 86 HB VAL 86 -15.661 -11.705 1.560 4 HG11 VAL 86 HG11 VAL 86 -14.656 -11.337 3.742 5 HG12 VAL 86 HG12 VAL 86 -14.609 -9.599 3.443 6 HG13 VAL 86 HG13 VAL 86 -16.160 -10.427 3.589 7 HG21 VAL 86 HG21 VAL 86 -15.863 -9.866 -0.060 8 HG22 VAL 86 HG22 VAL 86 -16.919 -9.642 1.336 9 HG23 VAL 86 HG23 VAL 86 -15.422 -8.720 1.204 No H/Q in entry = 9 In of MODEL 23 1 H THR 87 H THR 87 -13.285 -9.305 -0.712 2 HA THR 87 HA THR 87 -14.519 -10.756 -2.794 3 HB THR 87 HB THR 87 -13.429 -9.021 -4.237 4 HG1 THR 87 HG1 THR 87 -12.716 -7.514 -2.035 5 HG21 THR 87 HG21 THR 87 -15.031 -8.207 -1.840 6 HG22 THR 87 HG22 THR 87 -14.628 -7.078 -3.134 7 HG23 THR 87 HG23 THR 87 -15.593 -8.516 -3.485 No H/Q in entry = 7 In of MODEL 23 1 H LEU 88 H LEU 88 -11.151 -10.131 -1.947 2 HA LEU 88 HA LEU 88 -10.106 -11.504 -4.213 3 HB2 LEU 88 HB2 LEU 88 -8.770 -10.610 -1.644 4 HB3 LEU 88 HB3 LEU 88 -7.914 -11.262 -3.027 5 HG LEU 88 HG LEU 88 -9.454 -8.665 -2.920 6 HD11 LEU 88 HD11 LEU 88 -7.260 -8.584 -1.829 7 HD12 LEU 88 HD12 LEU 88 -6.501 -9.215 -3.304 8 HD13 LEU 88 HD13 LEU 88 -7.286 -7.625 -3.319 9 HD21 LEU 88 HD21 LEU 88 -9.747 -9.742 -5.088 10 HD22 LEU 88 HD22 LEU 88 -8.716 -8.317 -5.217 11 HD23 LEU 88 HD23 LEU 88 -7.999 -9.928 -5.240 No H/Q in entry = 11 In of MODEL 23 1 H SER 89 H SER 89 -10.098 -13.644 -4.440 2 HA SER 89 HA SER 89 -10.818 -15.493 -2.473 3 HB2 SER 89 HB2 SER 89 -9.854 -17.203 -4.054 4 HB3 SER 89 HB3 SER 89 -10.997 -16.088 -4.800 5 HG SER 89 HG SER 89 -8.648 -16.605 -5.689 No H/Q in entry = 5 In of MODEL 23 1 H GLN 90 H GLN 90 -7.833 -13.933 -3.100 2 HA GLN 90 HA GLN 90 -6.683 -15.178 -0.769 3 HB2 GLN 90 HB2 GLN 90 -4.455 -14.903 -2.405 4 HB3 GLN 90 HB3 GLN 90 -5.231 -16.421 -1.984 5 HG2 GLN 90 HG2 GLN 90 -4.920 -16.421 -4.335 6 HG3 GLN 90 HG3 GLN 90 -6.637 -16.135 -4.073 7 HE21 GLN 90 HE21 GLN 90 -7.557 -14.304 -4.939 8 HE22 GLN 90 HE22 GLN 90 -6.664 -13.063 -5.753 No H/Q in entry = 8 In of MODEL 23 1 HA PRO 91 HA PRO 91 -5.880 -10.794 -0.048 2 HB2 PRO 91 HB2 PRO 91 -3.566 -12.096 1.350 3 HB3 PRO 91 HB3 PRO 91 -4.565 -10.704 1.845 4 HG2 PRO 91 HG2 PRO 91 -5.049 -13.068 2.906 5 HG3 PRO 91 HG3 PRO 91 -6.400 -12.036 2.358 6 HD2 PRO 91 HD2 PRO 91 -5.205 -14.488 1.058 7 HD3 PRO 91 HD3 PRO 91 -6.920 -13.957 1.110 No H/Q in entry = 7 In of MODEL 23 1 H LYS 92 H LYS 92 -4.692 -9.363 -1.078 2 HA LYS 92 HA LYS 92 -3.017 -10.479 -3.156 3 HB2 LYS 92 HB2 LYS 92 -4.987 -9.031 -3.673 4 HB3 LYS 92 HB3 LYS 92 -4.118 -7.686 -2.945 5 HG2 LYS 92 HG2 LYS 92 -3.858 -7.642 -5.338 6 HG3 LYS 92 HG3 LYS 92 -2.309 -8.001 -4.559 7 HD2 LYS 92 HD2 LYS 92 -2.482 -9.504 -6.367 8 HD3 LYS 92 HD3 LYS 92 -2.851 -10.430 -4.911 9 HE2 LYS 92 HE2 LYS 92 -5.206 -10.295 -5.360 10 HE3 LYS 92 HE3 LYS 92 -4.915 -9.244 -6.747 11 HZ1 LYS 92 HZ1 LYS 92 -3.877 -12.017 -6.540 12 HZ2 LYS 92 HZ2 LYS 92 -5.318 -11.599 -7.333 13 HZ3 LYS 92 HZ3 LYS 92 -3.836 -11.002 -7.894 No H/Q in entry = 13 In of MODEL 23 1 H ILE 93 H ILE 93 -0.934 -10.201 -3.277 2 HA ILE 93 HA ILE 93 0.318 -8.014 -1.752 3 HB ILE 93 HB ILE 93 1.540 -10.661 -2.552 4 HG12 ILE 93 HG12 ILE 93 1.988 -10.749 -0.019 5 HG13 ILE 93 HG13 ILE 93 0.789 -9.478 0.118 6 HG21 ILE 93 HG21 ILE 93 3.148 -8.862 -2.849 7 HG22 ILE 93 HG22 ILE 93 2.848 -8.309 -1.199 8 HG23 ILE 93 HG23 ILE 93 3.594 -9.885 -1.479 9 HD11 ILE 93 HD11 ILE 93 0.329 -12.216 -1.037 10 HD12 ILE 93 HD12 ILE 93 -0.153 -11.669 0.569 11 HD13 ILE 93 HD13 ILE 93 -0.883 -10.946 -0.865 No H/Q in entry = 11 In of MODEL 23 1 H VAL 94 H VAL 94 1.330 -6.528 -2.902 2 HA VAL 94 HA VAL 94 2.257 -7.224 -5.597 3 HB VAL 94 HB VAL 94 1.047 -4.575 -4.750 4 HG11 VAL 94 HG11 VAL 94 2.295 -5.393 -7.377 5 HG12 VAL 94 HG12 VAL 94 1.416 -3.891 -7.092 6 HG13 VAL 94 HG13 VAL 94 2.929 -4.200 -6.242 7 HG21 VAL 94 HG21 VAL 94 -0.605 -6.322 -5.203 8 HG22 VAL 94 HG22 VAL 94 -0.645 -5.066 -6.441 9 HG23 VAL 94 HG23 VAL 94 0.132 -6.613 -6.780 No H/Q in entry = 9 In of MODEL 23 1 H LYS 95 H LYS 95 4.344 -6.816 -5.918 2 HA LYS 95 HA LYS 95 5.827 -5.846 -3.624 3 HB2 LYS 95 HB2 LYS 95 7.368 -7.318 -4.296 4 HB3 LYS 95 HB3 LYS 95 6.282 -7.803 -5.580 5 HG2 LYS 95 HG2 LYS 95 7.275 -6.290 -7.109 6 HG3 LYS 95 HG3 LYS 95 8.233 -5.549 -5.828 7 HD2 LYS 95 HD2 LYS 95 8.762 -8.307 -5.760 8 HD3 LYS 95 HD3 LYS 95 8.853 -7.817 -7.450 9 HE2 LYS 95 HE2 LYS 95 10.497 -6.866 -5.109 10 HE3 LYS 95 HE3 LYS 95 11.033 -7.547 -6.642 11 HZ1 LYS 95 HZ1 LYS 95 10.218 -5.512 -7.753 12 HZ2 LYS 95 HZ2 LYS 95 9.844 -4.858 -6.238 13 HZ3 LYS 95 HZ3 LYS 95 11.451 -5.212 -6.627 No H/Q in entry = 13 In of MODEL 23 1 H TRP 96 H TRP 96 7.065 -4.038 -3.628 2 HA TRP 96 HA TRP 96 6.156 -1.949 -5.363 3 HB2 TRP 96 HB2 TRP 96 6.631 -1.483 -3.013 4 HB3 TRP 96 HB3 TRP 96 8.307 -1.974 -3.216 5 HD1 TRP 96 HD1 TRP 96 5.913 0.794 -4.487 6 HE1 TRP 96 HE1 TRP 96 7.303 2.931 -4.824 7 HE3 TRP 96 HE3 TRP 96 10.551 -1.078 -3.432 8 HZ2 TRP 96 HZ2 TRP 96 9.996 3.724 -4.657 9 HZ3 TRP 96 HZ3 TRP 96 12.490 0.429 -3.543 10 HH2 TRP 96 HH2 TRP 96 12.216 2.801 -4.153 No H/Q in entry = 10 In of MODEL 23 1 H ASP 97 H ASP 97 6.988 -1.278 -7.174 2 HA ASP 97 HA ASP 97 9.765 -1.949 -7.861 3 HB2 ASP 97 HB2 ASP 97 7.338 -2.267 -9.644 4 HB3 ASP 97 HB3 ASP 97 8.980 -2.181 -10.269 No H/Q in entry = 4 In of MODEL 23 1 H ARG 98 H ARG 98 10.830 -0.378 -9.073 2 HA ARG 98 HA ARG 98 9.505 2.235 -8.848 3 HB2 ARG 98 HB2 ARG 98 11.744 3.144 -8.477 4 HB3 ARG 98 HB3 ARG 98 11.411 1.851 -7.348 5 HG2 ARG 98 HG2 ARG 98 13.449 1.135 -7.888 6 HG3 ARG 98 HG3 ARG 98 12.651 0.480 -9.316 7 HD2 ARG 98 HD2 ARG 98 14.611 1.671 -10.017 8 HD3 ARG 98 HD3 ARG 98 13.189 2.591 -10.513 9 HE ARG 98 HE ARG 98 13.642 3.969 -8.451 10 HH11 ARG 98 HH11 ARG 98 16.172 2.228 -10.139 11 HH12 ARG 98 HH12 ARG 98 17.417 3.358 -9.698 12 HH21 ARG 98 HH21 ARG 98 15.288 5.426 -7.812 13 HH22 ARG 98 HH22 ARG 98 16.922 5.167 -8.354 No H/Q in entry = 13 In of MODEL 23 1 H ASP 99 H ASP 99 11.395 0.171 -10.909 2 HA ASP 99 HA ASP 99 11.388 2.245 -13.006 3 HB2 ASP 99 HB2 ASP 99 13.607 1.417 -12.164 4 HB3 ASP 99 HB3 ASP 99 13.187 -0.178 -12.782 No H/Q in entry = 4 In of MODEL 23 1 H MET 100 H MET 100 9.940 -0.545 -12.039 2 HA MET 100 HA MET 100 9.223 -1.244 -14.805 3 HB2 MET 100 HB2 MET 100 9.013 -3.706 -13.720 4 HB3 MET 100 HB3 MET 100 10.550 -3.103 -14.356 5 HG2 MET 100 HG2 MET 100 11.081 -2.345 -12.015 6 HG3 MET 100 HG3 MET 100 9.657 -3.245 -11.495 7 HE1 MET 100 HE1 MET 100 9.404 -5.859 -11.658 8 HE2 MET 100 HE2 MET 100 9.690 -5.784 -13.395 9 HE3 MET 100 HE3 MET 100 10.598 -6.923 -12.402 No H/Q in entry = 9 In of MODEL 24 1 HA ILE 2 HA ILE 2 -23.374 -7.093 -3.700 2 HB ILE 2 HB ILE 2 -23.530 -7.946 -1.281 3 HG12 ILE 2 HG12 ILE 2 -23.649 -10.518 -1.246 4 HG13 ILE 2 HG13 ILE 2 -22.667 -10.463 -2.703 5 HG21 ILE 2 HG21 ILE 2 -25.029 -9.332 -3.491 6 HG22 ILE 2 HG22 ILE 2 -25.533 -9.259 -1.804 7 HG23 ILE 2 HG23 ILE 2 -25.429 -7.780 -2.757 8 HD11 ILE 2 HD11 ILE 2 -21.892 -9.323 -0.027 9 HD12 ILE 2 HD12 ILE 2 -21.327 -10.849 -0.706 10 HD13 ILE 2 HD13 ILE 2 -20.900 -9.326 -1.485 No H/Q in entry = 10 In of MODEL 24 1 H GLN 3 H GLN 3 -20.441 -7.528 -4.297 2 HA GLN 3 HA GLN 3 -19.417 -5.654 -2.392 3 HB2 GLN 3 HB2 GLN 3 -19.253 -8.106 -1.389 4 HB3 GLN 3 HB3 GLN 3 -17.866 -8.229 -2.462 5 HG2 GLN 3 HG2 GLN 3 -17.022 -7.609 -0.362 6 HG3 GLN 3 HG3 GLN 3 -16.970 -6.152 -1.351 7 HE21 GLN 3 HE21 GLN 3 -17.052 -6.538 1.569 8 HE22 GLN 3 HE22 GLN 3 -18.416 -5.636 2.122 No H/Q in entry = 8 In of MODEL 24 1 H ARG 4 H ARG 4 -17.240 -4.875 -3.099 2 HA ARG 4 HA ARG 4 -16.800 -5.489 -5.949 3 HB2 ARG 4 HB2 ARG 4 -17.928 -3.371 -5.753 4 HB3 ARG 4 HB3 ARG 4 -16.843 -2.855 -4.478 5 HG2 ARG 4 HG2 ARG 4 -15.057 -2.456 -5.989 6 HG3 ARG 4 HG3 ARG 4 -15.869 -3.334 -7.301 7 HD2 ARG 4 HD2 ARG 4 -15.925 -0.772 -7.376 8 HD3 ARG 4 HD3 ARG 4 -17.464 -1.615 -7.589 9 HE ARG 4 HE ARG 4 -17.019 -1.003 -4.852 10 HH11 ARG 4 HH11 ARG 4 -17.855 0.567 -7.865 11 HH12 ARG 4 HH12 ARG 4 -18.884 1.745 -7.105 12 HH21 ARG 4 HH21 ARG 4 -18.366 0.534 -3.853 13 HH22 ARG 4 HH22 ARG 4 -19.199 1.712 -4.828 No H/Q in entry = 13 In of MODEL 24 1 H THR 5 H THR 5 -14.655 -5.435 -6.697 2 HA THR 5 HA THR 5 -12.814 -6.358 -4.716 3 HB THR 5 HB THR 5 -11.300 -6.842 -6.546 4 HG1 THR 5 HG1 THR 5 -11.922 -4.842 -7.738 5 HG21 THR 5 HG21 THR 5 -14.185 -7.533 -7.023 6 HG22 THR 5 HG22 THR 5 -12.894 -8.148 -8.053 7 HG23 THR 5 HG23 THR 5 -12.904 -8.535 -6.338 No H/Q in entry = 7 In of MODEL 24 1 HA PRO 6 HA PRO 6 -10.769 -2.366 -4.216 2 HB2 PRO 6 HB2 PRO 6 -9.110 -3.674 -2.235 3 HB3 PRO 6 HB3 PRO 6 -10.333 -2.427 -1.991 4 HG2 PRO 6 HG2 PRO 6 -10.589 -5.033 -1.132 5 HG3 PRO 6 HG3 PRO 6 -11.961 -3.944 -1.461 6 HD2 PRO 6 HD2 PRO 6 -10.816 -6.144 -3.150 7 HD3 PRO 6 HD3 PRO 6 -12.507 -5.618 -2.948 No H/Q in entry = 7 In of MODEL 24 1 H LYS 7 H LYS 7 -9.065 -1.724 -5.401 2 HA LYS 7 HA LYS 7 -7.295 -3.808 -6.457 3 HB2 LYS 7 HB2 LYS 7 -8.601 -2.408 -8.050 4 HB3 LYS 7 HB3 LYS 7 -7.783 -0.977 -7.440 5 HG2 LYS 7 HG2 LYS 7 -5.629 -1.970 -8.193 6 HG3 LYS 7 HG3 LYS 7 -6.552 -3.277 -8.939 7 HD2 LYS 7 HD2 LYS 7 -7.768 -1.594 -10.284 8 HD3 LYS 7 HD3 LYS 7 -6.741 -0.338 -9.592 9 HE2 LYS 7 HE2 LYS 7 -5.835 -0.910 -11.719 10 HE3 LYS 7 HE3 LYS 7 -4.764 -1.582 -10.490 11 HZ1 LYS 7 HZ1 LYS 7 -6.001 -3.725 -10.795 12 HZ2 LYS 7 HZ2 LYS 7 -6.757 -3.029 -12.145 13 HZ3 LYS 7 HZ3 LYS 7 -5.075 -3.237 -12.125 No H/Q in entry = 13 In of MODEL 24 1 H ILE 8 H ILE 8 -5.036 -3.458 -6.634 2 HA ILE 8 HA ILE 8 -3.988 -1.903 -4.384 3 HB ILE 8 HB ILE 8 -2.775 -4.166 -5.986 4 HG12 ILE 8 HG12 ILE 8 -2.718 -5.394 -3.938 5 HG13 ILE 8 HG13 ILE 8 -3.126 -3.968 -3.006 6 HG21 ILE 8 HG21 ILE 8 -1.452 -2.372 -3.980 7 HG22 ILE 8 HG22 ILE 8 -0.809 -3.938 -4.475 8 HG23 ILE 8 HG23 ILE 8 -0.991 -2.647 -5.659 9 HD11 ILE 8 HD11 ILE 8 -4.969 -5.305 -4.950 10 HD12 ILE 8 HD12 ILE 8 -4.952 -5.593 -3.208 11 HD13 ILE 8 HD13 ILE 8 -5.362 -3.992 -3.840 No H/Q in entry = 11 In of MODEL 24 1 H GLN 9 H GLN 9 -3.112 -0.007 -4.746 2 HA GLN 9 HA GLN 9 -1.404 0.322 -7.116 3 HB2 GLN 9 HB2 GLN 9 -3.442 2.216 -5.984 4 HB3 GLN 9 HB3 GLN 9 -2.042 2.835 -6.873 5 HG2 GLN 9 HG2 GLN 9 -2.726 1.455 -8.802 6 HG3 GLN 9 HG3 GLN 9 -4.153 0.947 -7.900 7 HE21 GLN 9 HE21 GLN 9 -5.810 2.417 -7.541 8 HE22 GLN 9 HE22 GLN 9 -5.937 3.904 -8.427 No H/Q in entry = 8 In of MODEL 24 1 H VAL 10 H VAL 10 0.643 0.615 -6.507 2 HA VAL 10 HA VAL 10 1.183 2.030 -4.004 3 HB VAL 10 HB VAL 10 1.386 -0.130 -3.177 4 HG11 VAL 10 HG11 VAL 10 1.181 -1.354 -5.269 5 HG12 VAL 10 HG12 VAL 10 2.867 -0.995 -5.644 6 HG13 VAL 10 HG13 VAL 10 2.468 -2.009 -4.249 7 HG21 VAL 10 HG21 VAL 10 4.133 0.697 -4.069 8 HG22 VAL 10 HG22 VAL 10 3.347 1.053 -2.529 9 HG23 VAL 10 HG23 VAL 10 3.830 -0.601 -2.917 No H/Q in entry = 9 In of MODEL 24 1 H TYR 11 H TYR 11 2.823 3.367 -4.028 2 HA TYR 11 HA TYR 11 5.000 3.195 -5.873 3 HB2 TYR 11 HB2 TYR 11 4.605 5.309 -7.034 4 HB3 TYR 11 HB3 TYR 11 3.277 4.200 -7.340 5 HD1 TYR 11 HD1 TYR 11 1.043 4.672 -6.483 6 HD2 TYR 11 HD2 TYR 11 4.277 7.330 -5.719 7 HE1 TYR 11 HE1 TYR 11 -0.556 6.412 -5.802 8 HE2 TYR 11 HE2 TYR 11 2.689 9.076 -5.033 9 HH TYR 11 HH TYR 11 -0.579 8.461 -4.401 No H/Q in entry = 9 In of MODEL 24 1 H SER 12 H SER 12 6.477 5.125 -5.554 2 HA SER 12 HA SER 12 6.658 5.601 -2.692 3 HB2 SER 12 HB2 SER 12 8.631 4.858 -3.993 4 HB3 SER 12 HB3 SER 12 8.545 6.337 -4.940 5 HG SER 12 HG SER 12 9.598 7.305 -3.426 No H/Q in entry = 5 In of MODEL 24 1 H ARG 13 H ARG 13 6.534 7.554 -1.688 2 HA ARG 13 HA ARG 13 4.956 9.604 -2.811 3 HB2 ARG 13 HB2 ARG 13 5.442 9.077 -0.347 4 HB3 ARG 13 HB3 ARG 13 6.947 9.954 -0.540 5 HG2 ARG 13 HG2 ARG 13 4.113 11.032 -0.685 6 HG3 ARG 13 HG3 ARG 13 5.329 11.382 0.530 7 HD2 ARG 13 HD2 ARG 13 6.313 13.006 -0.739 8 HD3 ARG 13 HD3 ARG 13 6.037 12.115 -2.245 9 HE ARG 13 HE ARG 13 3.858 13.519 -0.842 10 HH11 ARG 13 HH11 ARG 13 5.721 12.866 -3.736 11 HH12 ARG 13 HH12 ARG 13 4.811 13.969 -4.729 12 HH21 ARG 13 HH21 ARG 13 2.649 14.956 -2.148 13 HH22 ARG 13 HH22 ARG 13 3.057 15.143 -3.821 No H/Q in entry = 13 In of MODEL 24 1 H HIS 14 H HIS 14 8.484 9.368 -2.445 2 HA HIS 14 HA HIS 14 8.706 11.535 -4.417 3 HB2 HIS 14 HB2 HIS 14 10.271 11.065 -1.899 4 HB3 HIS 14 HB3 HIS 14 11.045 11.897 -3.243 5 HD2 HIS 14 HD2 HIS 14 7.838 13.397 -3.705 6 HE1 HIS 14 HE1 HIS 14 9.328 15.440 -0.313 7 HE2 HIS 14 HE2 HIS 14 7.747 15.571 -2.287 No H/Q in entry = 7 In of MODEL 24 1 HA PRO 15 HA PRO 15 11.374 8.948 -6.932 2 HB2 PRO 15 HB2 PRO 15 13.932 10.046 -6.781 3 HB3 PRO 15 HB3 PRO 15 12.671 10.519 -7.938 4 HG2 PRO 15 HG2 PRO 15 13.500 11.862 -5.369 5 HG3 PRO 15 HG3 PRO 15 12.941 12.589 -6.914 6 HD2 PRO 15 HD2 PRO 15 11.320 12.395 -4.748 7 HD3 PRO 15 HD3 PRO 15 10.696 12.228 -6.416 No H/Q in entry = 7 In of MODEL 24 1 H ALA 16 H ALA 16 12.712 7.150 -6.746 2 HA ALA 16 HA ALA 16 13.260 6.320 -4.062 3 HB1 ALA 16 HB1 ALA 16 12.339 4.730 -5.640 4 HB2 ALA 16 HB2 ALA 16 13.743 4.928 -6.690 5 HB3 ALA 16 HB3 ALA 16 13.928 4.193 -5.100 No H/Q in entry = 5 In of MODEL 24 1 H GLU 17 H GLU 17 15.189 6.220 -3.096 2 HA GLU 17 HA GLU 17 17.618 6.521 -4.654 3 HB2 GLU 17 HB2 GLU 17 16.774 8.740 -3.632 4 HB3 GLU 17 HB3 GLU 17 17.217 8.035 -2.078 5 HG2 GLU 17 HG2 GLU 17 19.021 9.406 -2.842 6 HG3 GLU 17 HG3 GLU 17 19.508 7.712 -2.943 No H/Q in entry = 6 In of MODEL 24 1 H ASN 18 H ASN 18 18.887 4.887 -4.141 2 HA ASN 18 HA ASN 18 18.235 3.205 -1.901 3 HB2 ASN 18 HB2 ASN 18 18.791 1.921 -3.727 4 HB3 ASN 18 HB3 ASN 18 20.096 2.994 -4.240 5 HD21 ASN 18 HD21 ASN 18 21.582 1.371 -4.477 6 HD22 ASN 18 HD22 ASN 18 22.232 0.484 -3.139 No H/Q in entry = 6 In of MODEL 24 1 H GLY 19 H GLY 19 19.158 3.110 0.006 2 HA2 GLY 19 HA2 GLY 19 21.720 4.382 0.540 3 HA3 GLY 19 HA3 GLY 19 20.700 3.524 1.707 No H/Q in entry = 3 In of MODEL 24 1 H LYS 20 H LYS 20 18.377 5.142 0.614 2 HA LYS 20 HA LYS 20 18.840 7.569 2.195 3 HB2 LYS 20 HB2 LYS 20 19.127 7.748 -0.414 4 HB3 LYS 20 HB3 LYS 20 17.374 7.688 -0.416 5 HG2 LYS 20 HG2 LYS 20 18.032 9.955 -0.506 6 HG3 LYS 20 HG3 LYS 20 17.352 9.658 1.099 7 HD2 LYS 20 HD2 LYS 20 19.682 9.387 1.961 8 HD3 LYS 20 HD3 LYS 20 20.279 9.850 0.369 9 HE2 LYS 20 HE2 LYS 20 20.298 11.739 1.950 10 HE3 LYS 20 HE3 LYS 20 19.214 12.043 0.592 11 HZ1 LYS 20 HZ1 LYS 20 18.303 11.018 3.226 12 HZ2 LYS 20 HZ2 LYS 20 18.316 12.661 2.804 13 HZ3 LYS 20 HZ3 LYS 20 17.339 11.575 1.947 No H/Q in entry = 13 In of MODEL 24 1 H SER 21 H SER 21 16.992 8.398 3.158 2 HA SER 21 HA SER 21 14.900 6.432 3.513 3 HB2 SER 21 HB2 SER 21 15.519 9.031 4.902 4 HB3 SER 21 HB3 SER 21 14.182 7.967 5.346 5 HG SER 21 HG SER 21 15.808 6.294 5.631 No H/Q in entry = 5 In of MODEL 24 1 H ASN 22 H ASN 22 12.707 6.766 3.185 2 HA ASN 22 HA ASN 22 11.734 9.238 2.013 3 HB2 ASN 22 HB2 ASN 22 12.772 7.551 0.183 4 HB3 ASN 22 HB3 ASN 22 11.194 6.796 0.370 5 HD21 ASN 22 HD21 ASN 22 12.292 8.096 -1.928 6 HD22 ASN 22 HD22 ASN 22 11.251 9.386 -2.341 No H/Q in entry = 6 In of MODEL 24 1 H PHE 23 H PHE 23 9.322 8.572 1.131 2 HA PHE 23 HA PHE 23 8.077 7.044 3.331 3 HB2 PHE 23 HB2 PHE 23 7.066 9.487 1.862 4 HB3 PHE 23 HB3 PHE 23 6.054 8.505 2.906 5 HD1 PHE 23 HD1 PHE 23 5.795 9.144 5.081 6 HD2 PHE 23 HD2 PHE 23 9.292 10.360 2.984 7 HE1 PHE 23 HE1 PHE 23 6.479 10.504 7.016 8 HE2 PHE 23 HE2 PHE 23 9.987 11.711 4.916 9 HZ PHE 23 HZ PHE 23 8.583 11.779 6.938 No H/Q in entry = 9 In of MODEL 24 1 H LEU 24 H LEU 24 6.835 5.369 2.766 2 HA LEU 24 HA LEU 24 6.398 4.782 -0.067 3 HB2 LEU 24 HB2 LEU 24 6.906 3.266 2.189 4 HB3 LEU 24 HB3 LEU 24 5.212 2.961 1.882 5 HG LEU 24 HG LEU 24 7.520 2.415 -0.012 6 HD11 LEU 24 HD11 LEU 24 5.654 0.600 1.517 7 HD12 LEU 24 HD12 LEU 24 6.852 0.068 0.334 8 HD13 LEU 24 HD13 LEU 24 7.371 0.845 1.830 9 HD21 LEU 24 HD21 LEU 24 4.558 1.962 -0.405 10 HD22 LEU 24 HD22 LEU 24 5.590 3.054 -1.330 11 HD23 LEU 24 HD23 LEU 24 5.833 1.311 -1.436 No H/Q in entry = 11 In of MODEL 24 1 H ASN 25 H ASN 25 4.256 4.236 -0.849 2 HA ASN 25 HA ASN 25 2.006 5.036 0.828 3 HB2 ASN 25 HB2 ASN 25 2.763 6.292 -1.793 4 HB3 ASN 25 HB3 ASN 25 1.068 6.169 -1.349 5 HD21 ASN 25 HD21 ASN 25 2.801 8.501 -1.715 6 HD22 ASN 25 HD22 ASN 25 2.699 9.389 -0.237 No H/Q in entry = 6 In of MODEL 24 1 H CYS 26 H CYS 26 0.413 3.534 0.713 2 HA CYS 26 HA CYS 26 0.117 2.084 -1.828 3 HB2 CYS 26 HB2 CYS 26 1.017 0.656 0.135 4 HB3 CYS 26 HB3 CYS 26 -0.628 0.789 0.775 No H/Q in entry = 4 In of MODEL 24 1 H TYR 27 H TYR 27 -1.883 2.102 -2.661 2 HA TYR 27 HA TYR 27 -3.904 3.583 -1.114 3 HB2 TYR 27 HB2 TYR 27 -2.935 3.973 -3.928 4 HB3 TYR 27 HB3 TYR 27 -4.586 4.398 -3.507 5 HD1 TYR 27 HD1 TYR 27 -1.040 5.289 -3.075 6 HD2 TYR 27 HD2 TYR 27 -5.057 6.300 -2.078 7 HE1 TYR 27 HE1 TYR 27 -0.301 7.520 -2.376 8 HE2 TYR 27 HE2 TYR 27 -4.320 8.533 -1.370 9 HH TYR 27 HH TYR 27 -2.241 9.624 -0.582 No H/Q in entry = 9 In of MODEL 24 1 H VAL 28 H VAL 28 -5.295 2.007 -0.607 2 HA VAL 28 HA VAL 28 -6.257 0.283 -2.792 3 HB VAL 28 HB VAL 28 -6.806 -0.244 0.121 4 HG11 VAL 28 HG11 VAL 28 -6.592 -1.980 -2.325 5 HG12 VAL 28 HG12 VAL 28 -6.883 -2.579 -0.690 6 HG13 VAL 28 HG13 VAL 28 -8.068 -1.532 -1.468 7 HG21 VAL 28 HG21 VAL 28 -4.317 -1.019 -1.391 8 HG22 VAL 28 HG22 VAL 28 -4.414 -0.050 0.080 9 HG23 VAL 28 HG23 VAL 28 -4.829 -1.767 0.125 No H/Q in entry = 9 In of MODEL 24 1 H SER 29 H SER 29 -7.930 1.397 -3.692 2 HA SER 29 HA SER 29 -10.115 2.266 -1.931 3 HB2 SER 29 HB2 SER 29 -8.629 4.223 -2.545 4 HB3 SER 29 HB3 SER 29 -9.076 3.962 -4.223 5 HG SER 29 HG SER 29 -10.962 4.442 -2.151 No H/Q in entry = 5 In of MODEL 24 1 H GLY 30 H GLY 30 -12.187 2.452 -3.040 2 HA2 GLY 30 HA2 GLY 30 -12.242 1.108 -5.662 3 HA3 GLY 30 HA3 GLY 30 -13.445 2.254 -5.106 No H/Q in entry = 3 In of MODEL 24 1 H PHE 31 H PHE 31 -13.326 0.898 -2.390 2 HA PHE 31 HA PHE 31 -14.996 -1.409 -3.114 3 HB2 PHE 31 HB2 PHE 31 -14.068 -2.640 -1.208 4 HB3 PHE 31 HB3 PHE 31 -12.764 -2.122 -2.298 5 HD1 PHE 31 HD1 PHE 31 -11.315 -0.241 -1.676 6 HD2 PHE 31 HD2 PHE 31 -14.213 -1.806 1.013 7 HE1 PHE 31 HE1 PHE 31 -10.209 0.909 0.186 8 HE2 PHE 31 HE2 PHE 31 -13.104 -0.660 2.880 9 HZ PHE 31 HZ PHE 31 -11.111 0.717 2.465 No H/Q in entry = 9 In of MODEL 24 1 H HIS 32 H HIS 32 -16.081 -2.211 -0.944 2 HA HIS 32 HA HIS 32 -16.839 -0.131 0.895 3 HB2 HIS 32 HB2 HIS 32 -19.319 -0.697 0.547 4 HB3 HIS 32 HB3 HIS 32 -18.565 0.332 -0.662 5 HD2 HIS 32 HD2 HIS 32 -20.101 -3.224 -0.314 6 HE1 HIS 32 HE1 HIS 32 -19.386 -2.399 -4.401 7 HE2 HIS 32 HE2 HIS 32 -20.655 -3.862 -2.772 No H/Q in entry = 7 In of MODEL 24 1 HA PRO 33 HA PRO 33 -19.258 -0.561 2.514 2 HB2 PRO 33 HB2 PRO 33 -18.022 -0.851 5.193 3 HB3 PRO 33 HB3 PRO 33 -19.727 -0.759 4.742 4 HG2 PRO 33 HG2 PRO 33 -18.649 -3.072 5.482 5 HG3 PRO 33 HG3 PRO 33 -19.828 -3.002 4.157 6 HD2 PRO 33 HD2 PRO 33 -16.844 -3.237 4.026 7 HD3 PRO 33 HD3 PRO 33 -18.080 -4.078 3.067 No H/Q in entry = 7 In of MODEL 24 1 H SER 34 H SER 34 -16.362 -0.285 4.679 2 HA SER 34 HA SER 34 -15.294 1.842 3.064 3 HB2 SER 34 HB2 SER 34 -16.340 2.414 5.853 4 HB3 SER 34 HB3 SER 34 -15.453 3.539 4.826 5 HG SER 34 HG SER 34 -17.489 2.664 3.399 No H/Q in entry = 5 In of MODEL 24 1 H ASP 35 H ASP 35 -14.625 -0.823 4.309 2 HA ASP 35 HA ASP 35 -12.216 0.010 5.761 3 HB2 ASP 35 HB2 ASP 35 -12.589 -1.423 7.613 4 HB3 ASP 35 HB3 ASP 35 -14.128 -0.597 7.373 No H/Q in entry = 4 In of MODEL 24 1 H ILE 36 H ILE 36 -10.451 -1.104 5.243 2 HA ILE 36 HA ILE 36 -10.586 -3.902 4.469 3 HB ILE 36 HB ILE 36 -10.629 -2.519 2.295 4 HG12 ILE 36 HG12 ILE 36 -8.639 -4.651 2.985 5 HG13 ILE 36 HG13 ILE 36 -10.056 -4.744 1.947 6 HG21 ILE 36 HG21 ILE 36 -7.791 -1.985 3.163 7 HG22 ILE 36 HG22 ILE 36 -8.441 -1.648 1.558 8 HG23 ILE 36 HG23 ILE 36 -9.058 -0.777 2.960 9 HD11 ILE 36 HD11 ILE 36 -7.502 -3.306 1.253 10 HD12 ILE 36 HD12 ILE 36 -7.934 -4.926 0.708 11 HD13 ILE 36 HD13 ILE 36 -8.895 -3.537 0.197 No H/Q in entry = 11 In of MODEL 24 1 H GLU 37 H GLU 37 -8.487 -4.943 4.719 2 HA GLU 37 HA GLU 37 -6.641 -3.352 6.353 3 HB2 GLU 37 HB2 GLU 37 -7.794 -5.503 7.261 4 HB3 GLU 37 HB3 GLU 37 -6.664 -6.343 6.208 5 HG2 GLU 37 HG2 GLU 37 -5.681 -6.309 8.361 6 HG3 GLU 37 HG3 GLU 37 -4.809 -5.118 7.392 No H/Q in entry = 6 In of MODEL 24 1 H VAL 38 H VAL 38 -4.846 -2.806 5.358 2 HA VAL 38 HA VAL 38 -3.676 -4.658 3.431 3 HB VAL 38 HB VAL 38 -4.072 -3.244 1.764 4 HG11 VAL 38 HG11 VAL 38 -5.794 -2.156 3.017 5 HG12 VAL 38 HG12 VAL 38 -4.614 -1.079 3.768 6 HG13 VAL 38 HG13 VAL 38 -4.923 -0.978 2.033 7 HG21 VAL 38 HG21 VAL 38 -2.040 -1.515 3.171 8 HG22 VAL 38 HG22 VAL 38 -1.741 -2.710 1.915 9 HG23 VAL 38 HG23 VAL 38 -2.610 -1.220 1.521 No H/Q in entry = 9 In of MODEL 24 1 H ASP 39 H ASP 39 -1.521 -4.846 3.466 2 HA ASP 39 HA ASP 39 -0.112 -3.493 5.663 3 HB2 ASP 39 HB2 ASP 39 0.041 -5.348 6.915 4 HB3 ASP 39 HB3 ASP 39 -1.105 -6.098 5.819 No H/Q in entry = 4 In of MODEL 24 1 H LEU 40 H LEU 40 2.114 -3.343 5.432 2 HA LEU 40 HA LEU 40 2.957 -3.632 2.653 3 HB2 LEU 40 HB2 LEU 40 4.355 -2.013 4.766 4 HB3 LEU 40 HB3 LEU 40 4.569 -1.919 3.029 5 HG LEU 40 HG LEU 40 2.136 -1.016 4.573 6 HD11 LEU 40 HD11 LEU 40 4.070 0.431 4.885 7 HD12 LEU 40 HD12 LEU 40 4.282 0.545 3.135 8 HD13 LEU 40 HD13 LEU 40 2.843 1.227 3.897 9 HD21 LEU 40 HD21 LEU 40 2.723 -0.893 1.620 10 HD22 LEU 40 HD22 LEU 40 1.437 -1.810 2.407 11 HD23 LEU 40 HD23 LEU 40 1.403 -0.043 2.428 No H/Q in entry = 11 In of MODEL 24 1 H LEU 41 H LEU 41 4.895 -4.583 2.099 2 HA LEU 41 HA LEU 41 6.038 -6.325 4.184 3 HB2 LEU 41 HB2 LEU 41 5.939 -7.059 1.307 4 HB3 LEU 41 HB3 LEU 41 6.195 -8.084 2.680 5 HG LEU 41 HG LEU 41 3.582 -6.770 2.066 6 HD11 LEU 41 HD11 LEU 41 4.264 -8.312 0.280 7 HD12 LEU 41 HD12 LEU 41 4.479 -9.587 1.479 8 HD13 LEU 41 HD13 LEU 41 2.876 -8.922 1.176 9 HD21 LEU 41 HD21 LEU 41 4.339 -9.001 3.942 10 HD22 LEU 41 HD22 LEU 41 3.887 -7.361 4.403 11 HD23 LEU 41 HD23 LEU 41 2.701 -8.423 3.646 No H/Q in entry = 11 In of MODEL 24 1 H LYS 42 H LYS 42 8.091 -7.196 3.646 2 HA LYS 42 HA LYS 42 9.646 -5.773 1.626 3 HB2 LYS 42 HB2 LYS 42 10.706 -6.657 4.295 4 HB3 LYS 42 HB3 LYS 42 11.511 -5.623 3.123 5 HG2 LYS 42 HG2 LYS 42 9.806 -3.856 3.531 6 HG3 LYS 42 HG3 LYS 42 9.006 -4.919 4.664 7 HD2 LYS 42 HD2 LYS 42 10.392 -3.315 5.865 8 HD3 LYS 42 HD3 LYS 42 11.025 -4.947 6.080 9 HE2 LYS 42 HE2 LYS 42 12.649 -4.480 4.246 10 HE3 LYS 42 HE3 LYS 42 12.081 -2.811 4.235 11 HZ1 LYS 42 HZ1 LYS 42 12.749 -2.653 6.592 12 HZ2 LYS 42 HZ2 LYS 42 13.390 -4.220 6.498 13 HZ3 LYS 42 HZ3 LYS 42 14.059 -2.974 5.562 No H/Q in entry = 13 In of MODEL 24 1 H ASN 43 H ASN 43 10.154 -7.213 0.239 2 HA ASN 43 HA ASN 43 10.744 -9.121 -0.854 3 HB2 ASN 43 HB2 ASN 43 11.897 -9.844 1.852 4 HB3 ASN 43 HB3 ASN 43 12.229 -10.733 0.369 5 HD21 ASN 43 HD21 ASN 43 13.825 -9.015 2.309 6 HD22 ASN 43 HD22 ASN 43 14.683 -7.902 1.290 No H/Q in entry = 6 In of MODEL 24 1 H GLY 44 H GLY 44 8.838 -9.382 1.976 2 HA2 GLY 44 HA2 GLY 44 8.085 -12.133 1.626 3 HA3 GLY 44 HA3 GLY 44 6.877 -10.989 1.045 No H/Q in entry = 3 In of MODEL 24 1 H GLU 45 H GLU 45 8.614 -9.650 3.582 2 HA GLU 45 HA GLU 45 6.914 -10.907 5.608 3 HB2 GLU 45 HB2 GLU 45 9.542 -9.488 5.903 4 HB3 GLU 45 HB3 GLU 45 8.717 -10.446 7.133 5 HG2 GLU 45 HG2 GLU 45 9.757 -11.450 4.504 6 HG3 GLU 45 HG3 GLU 45 10.531 -11.656 6.053 No H/Q in entry = 6 In of MODEL 24 1 H ARG 46 H ARG 46 5.772 -9.740 7.028 2 HA ARG 46 HA ARG 46 4.723 -7.287 6.232 3 HB2 ARG 46 HB2 ARG 46 3.546 -8.949 7.643 4 HB3 ARG 46 HB3 ARG 46 4.649 -8.591 8.955 5 HG2 ARG 46 HG2 ARG 46 3.746 -6.419 9.190 6 HG3 ARG 46 HG3 ARG 46 2.791 -6.607 7.703 7 HD2 ARG 46 HD2 ARG 46 2.332 -7.854 10.378 8 HD3 ARG 46 HD3 ARG 46 1.170 -7.203 9.226 9 HE ARG 46 HE ARG 46 2.493 -9.813 8.954 10 HH11 ARG 46 HH11 ARG 46 -0.203 -7.662 8.414 11 HH12 ARG 46 HH12 ARG 46 -1.204 -8.875 7.678 12 HH21 ARG 46 HH21 ARG 46 1.217 -11.419 7.952 13 HH22 ARG 46 HH22 ARG 46 -0.387 -11.024 7.404 No H/Q in entry = 13 In of MODEL 24 1 H ILE 47 H ILE 47 5.090 -5.213 6.762 2 HA ILE 47 HA ILE 47 7.334 -4.531 8.512 3 HB ILE 47 HB ILE 47 5.544 -2.736 6.850 4 HG12 ILE 47 HG12 ILE 47 8.415 -3.458 6.311 5 HG13 ILE 47 HG13 ILE 47 7.070 -4.268 5.519 6 HG21 ILE 47 HG21 ILE 47 6.488 -1.607 8.793 7 HG22 ILE 47 HG22 ILE 47 8.108 -2.120 8.317 8 HG23 ILE 47 HG23 ILE 47 7.203 -0.997 7.301 9 HD11 ILE 47 HD11 ILE 47 7.534 -1.299 5.411 10 HD12 ILE 47 HD12 ILE 47 8.099 -2.425 4.181 11 HD13 ILE 47 HD13 ILE 47 6.375 -2.237 4.474 No H/Q in entry = 11 In of MODEL 24 1 H GLU 48 H GLU 48 7.004 -3.504 10.482 2 HA GLU 48 HA GLU 48 4.260 -3.591 11.424 3 HB2 GLU 48 HB2 GLU 48 5.473 -3.214 13.686 4 HB3 GLU 48 HB3 GLU 48 5.561 -4.784 12.912 5 HG2 GLU 48 HG2 GLU 48 7.707 -2.716 12.626 6 HG3 GLU 48 HG3 GLU 48 7.682 -3.880 13.935 No H/Q in entry = 6 In of MODEL 24 1 H LYS 49 H LYS 49 6.957 -1.269 11.196 2 HA LYS 49 HA LYS 49 5.758 0.899 12.400 3 HB2 LYS 49 HB2 LYS 49 7.743 0.791 10.140 4 HB3 LYS 49 HB3 LYS 49 7.367 2.233 11.076 5 HG2 LYS 49 HG2 LYS 49 8.041 -0.040 12.739 6 HG3 LYS 49 HG3 LYS 49 9.335 0.418 11.627 7 HD2 LYS 49 HD2 LYS 49 9.390 2.619 12.496 8 HD3 LYS 49 HD3 LYS 49 7.859 2.396 13.337 9 HE2 LYS 49 HE2 LYS 49 8.946 0.759 14.831 10 HE3 LYS 49 HE3 LYS 49 10.485 1.061 14.020 11 HZ1 LYS 49 HZ1 LYS 49 10.286 3.403 14.686 12 HZ2 LYS 49 HZ2 LYS 49 8.881 3.030 15.557 13 HZ3 LYS 49 HZ3 LYS 49 10.367 2.349 16.015 No H/Q in entry = 13 In of MODEL 24 1 H VAL 50 H VAL 50 4.459 -0.597 9.800 2 HA VAL 50 HA VAL 50 3.686 1.564 8.151 3 HB VAL 50 HB VAL 50 2.243 -1.044 8.617 4 HG11 VAL 50 HG11 VAL 50 0.880 0.748 7.575 5 HG12 VAL 50 HG12 VAL 50 2.090 0.871 6.292 6 HG13 VAL 50 HG13 VAL 50 1.171 -0.623 6.495 7 HG21 VAL 50 HG21 VAL 50 4.578 -1.317 7.899 8 HG22 VAL 50 HG22 VAL 50 3.436 -1.840 6.668 9 HG23 VAL 50 HG23 VAL 50 4.252 -0.291 6.504 No H/Q in entry = 9 In of MODEL 24 1 H GLU 51 H GLU 51 2.158 3.058 8.363 2 HA GLU 51 HA GLU 51 0.000 2.591 10.287 3 HB2 GLU 51 HB2 GLU 51 1.539 5.182 10.041 4 HB3 GLU 51 HB3 GLU 51 0.109 4.932 11.034 5 HG2 GLU 51 HG2 GLU 51 1.370 3.221 12.316 6 HG3 GLU 51 HG3 GLU 51 2.804 3.647 11.381 No H/Q in entry = 6 In of MODEL 24 1 H HIS 52 H HIS 52 -1.908 3.504 9.812 2 HA HIS 52 HA HIS 52 -2.207 4.641 7.120 3 HB2 HIS 52 HB2 HIS 52 -4.615 4.087 7.319 4 HB3 HIS 52 HB3 HIS 52 -3.570 2.678 7.414 5 HD2 HIS 52 HD2 HIS 52 -3.219 1.783 10.218 6 HE1 HIS 52 HE1 HIS 52 -7.027 3.325 11.228 7 HE2 HIS 52 HE2 HIS 52 -5.197 1.702 11.897 No H/Q in entry = 7 In of MODEL 24 1 H SER 53 H SER 53 -2.832 6.699 6.863 2 HA SER 53 HA SER 53 -3.060 8.367 9.203 3 HB2 SER 53 HB2 SER 53 -1.814 8.997 7.084 4 HB3 SER 53 HB3 SER 53 -3.385 9.234 6.327 5 HG SER 53 HG SER 53 -2.029 10.839 8.074 No H/Q in entry = 5 In of MODEL 24 1 H ASP 54 H ASP 54 -4.762 10.367 8.265 2 HA ASP 54 HA ASP 54 -7.183 9.533 9.410 3 HB2 ASP 54 HB2 ASP 54 -6.367 11.857 9.432 4 HB3 ASP 54 HB3 ASP 54 -6.634 11.965 7.696 No H/Q in entry = 4 In of MODEL 24 1 H LEU 55 H LEU 55 -9.145 8.981 8.595 2 HA LEU 55 HA LEU 55 -9.193 7.857 5.931 3 HB2 LEU 55 HB2 LEU 55 -10.222 7.031 8.239 4 HB3 LEU 55 HB3 LEU 55 -11.572 8.019 7.737 5 HG LEU 55 HG LEU 55 -11.971 5.702 7.179 6 HD11 LEU 55 HD11 LEU 55 -12.893 7.371 5.675 7 HD12 LEU 55 HD12 LEU 55 -11.419 7.324 4.706 8 HD13 LEU 55 HD13 LEU 55 -12.457 5.901 4.802 9 HD21 LEU 55 HD21 LEU 55 -9.429 5.875 5.577 10 HD22 LEU 55 HD22 LEU 55 -9.715 4.884 7.008 11 HD23 LEU 55 HD23 LEU 55 -10.580 4.540 5.509 No H/Q in entry = 11 In of MODEL 24 1 H SER 56 H SER 56 -9.248 9.768 4.485 2 HA SER 56 HA SER 56 -11.754 11.063 4.227 3 HB2 SER 56 HB2 SER 56 -9.467 12.779 5.172 4 HB3 SER 56 HB3 SER 56 -11.015 13.377 4.605 5 HG SER 56 HG SER 56 -10.304 12.438 7.061 No H/Q in entry = 5 In of MODEL 24 1 H PHE 57 H PHE 57 -11.925 12.235 2.424 2 HA PHE 57 HA PHE 57 -9.928 13.194 0.798 3 HB2 PHE 57 HB2 PHE 57 -9.441 10.734 0.436 4 HB3 PHE 57 HB3 PHE 57 -10.970 10.642 -0.431 5 HD1 PHE 57 HD1 PHE 57 -11.122 11.311 -2.679 6 HD2 PHE 57 HD2 PHE 57 -7.638 12.256 -0.426 7 HE1 PHE 57 HE1 PHE 57 -9.984 12.020 -4.741 8 HE2 PHE 57 HE2 PHE 57 -6.493 12.968 -2.487 9 HZ PHE 57 HZ PHE 57 -7.669 12.852 -4.646 No H/Q in entry = 9 In of MODEL 24 1 H SER 58 H SER 58 -10.783 14.536 -0.774 2 HA SER 58 HA SER 58 -13.699 14.307 -1.139 3 HB2 SER 58 HB2 SER 58 -12.013 16.799 -1.474 4 HB3 SER 58 HB3 SER 58 -13.774 16.696 -1.419 5 HG SER 58 HG SER 58 -11.935 16.176 0.693 No H/Q in entry = 5 In of MODEL 24 1 H LYS 59 H LYS 59 -14.443 13.920 -3.158 2 HA LYS 59 HA LYS 59 -13.405 14.841 -5.540 3 HB2 LYS 59 HB2 LYS 59 -11.457 13.407 -5.137 4 HB3 LYS 59 HB3 LYS 59 -12.507 12.012 -4.935 5 HG2 LYS 59 HG2 LYS 59 -13.199 12.151 -7.250 6 HG3 LYS 59 HG3 LYS 59 -12.246 13.618 -7.472 7 HD2 LYS 59 HD2 LYS 59 -11.048 10.985 -6.634 8 HD3 LYS 59 HD3 LYS 59 -11.210 11.473 -8.321 9 HE2 LYS 59 HE2 LYS 59 -9.681 12.975 -6.193 10 HE3 LYS 59 HE3 LYS 59 -8.972 11.949 -7.439 11 HZ1 LYS 59 HZ1 LYS 59 -10.134 13.483 -9.074 12 HZ2 LYS 59 HZ2 LYS 59 -10.345 14.552 -7.770 13 HZ3 LYS 59 HZ3 LYS 59 -8.782 14.105 -8.262 No H/Q in entry = 13 In of MODEL 24 1 H ASP 60 H ASP 60 -14.284 11.414 -5.152 2 HA ASP 60 HA ASP 60 -17.031 12.132 -5.931 3 HB2 ASP 60 HB2 ASP 60 -15.754 11.076 -7.792 4 HB3 ASP 60 HB3 ASP 60 -15.532 9.647 -6.788 No H/Q in entry = 4 In of MODEL 24 1 H TRP 61 H TRP 61 -15.008 10.595 -3.739 2 HA TRP 61 HA TRP 61 -15.392 9.776 -1.689 3 HB2 TRP 61 HB2 TRP 61 -18.238 10.509 -2.337 4 HB3 TRP 61 HB3 TRP 61 -17.762 9.811 -0.789 5 HD1 TRP 61 HD1 TRP 61 -16.173 11.320 0.796 6 HE1 TRP 61 HE1 TRP 61 -15.803 13.869 0.910 7 HE3 TRP 61 HE3 TRP 61 -18.172 12.629 -3.724 8 HZ2 TRP 61 HZ2 TRP 61 -16.302 16.124 -0.700 9 HZ3 TRP 61 HZ3 TRP 61 -18.194 14.996 -4.373 10 HH2 TRP 61 HH2 TRP 61 -17.266 16.731 -2.870 No H/Q in entry = 10 In of MODEL 24 1 H SER 62 H SER 62 -14.834 7.941 -3.486 2 HA SER 62 HA SER 62 -16.762 5.771 -3.170 3 HB2 SER 62 HB2 SER 62 -14.117 5.842 -4.665 4 HB3 SER 62 HB3 SER 62 -15.296 4.529 -4.732 5 HG SER 62 HG SER 62 -16.703 6.593 -5.333 No H/Q in entry = 5 In of MODEL 24 1 H PHE 63 H PHE 63 -14.933 7.009 -1.060 2 HA PHE 63 HA PHE 63 -14.026 6.364 0.905 3 HB2 PHE 63 HB2 PHE 63 -14.643 3.494 0.219 4 HB3 PHE 63 HB3 PHE 63 -14.494 4.220 1.812 5 HD1 PHE 63 HD1 PHE 63 -16.286 6.289 2.142 6 HD2 PHE 63 HD2 PHE 63 -16.728 2.923 -0.442 7 HE1 PHE 63 HE1 PHE 63 -18.773 6.527 2.238 8 HE2 PHE 63 HE2 PHE 63 -19.175 3.170 -0.364 9 HZ PHE 63 HZ PHE 63 -20.188 4.969 0.973 No H/Q in entry = 9 In of MODEL 24 1 H TYR 64 H TYR 64 -12.096 5.892 1.757 2 HA TYR 64 HA TYR 64 -10.063 4.816 -0.069 3 HB2 TYR 64 HB2 TYR 64 -9.394 7.347 1.323 4 HB3 TYR 64 HB3 TYR 64 -8.929 6.790 -0.286 5 HD1 TYR 64 HD1 TYR 64 -10.326 7.268 -2.209 6 HD2 TYR 64 HD2 TYR 64 -11.454 8.517 1.695 7 HE1 TYR 64 HE1 TYR 64 -12.005 8.759 -3.185 8 HE2 TYR 64 HE2 TYR 64 -13.127 10.034 0.753 9 HH TYR 64 HH TYR 64 -13.624 11.163 -1.278 No H/Q in entry = 9 In of MODEL 24 1 H LEU 65 H LEU 65 -8.273 3.971 1.004 2 HA LEU 65 HA LEU 65 -7.751 4.875 3.706 3 HB2 LEU 65 HB2 LEU 65 -9.137 3.057 4.218 4 HB3 LEU 65 HB3 LEU 65 -8.427 2.045 2.975 5 HG LEU 65 HG LEU 65 -6.472 2.784 4.988 6 HD11 LEU 65 HD11 LEU 65 -8.538 2.883 6.372 7 HD12 LEU 65 HD12 LEU 65 -8.872 1.214 5.911 8 HD13 LEU 65 HD13 LEU 65 -7.426 1.600 6.845 9 HD21 LEU 65 HD21 LEU 65 -6.307 0.998 3.304 10 HD22 LEU 65 HD22 LEU 65 -6.116 0.399 4.953 11 HD23 LEU 65 HD23 LEU 65 -7.641 0.160 4.096 No H/Q in entry = 11 In of MODEL 24 1 H LEU 66 H LEU 66 -5.665 5.088 4.098 2 HA LEU 66 HA LEU 66 -3.824 4.298 1.940 3 HB2 LEU 66 HB2 LEU 66 -4.512 6.777 2.463 4 HB3 LEU 66 HB3 LEU 66 -3.386 6.611 3.775 5 HG LEU 66 HG LEU 66 -2.712 6.326 0.867 6 HD11 LEU 66 HD11 LEU 66 -3.214 8.629 1.488 7 HD12 LEU 66 HD12 LEU 66 -2.077 8.525 2.829 8 HD13 LEU 66 HD13 LEU 66 -1.490 8.431 1.170 9 HD21 LEU 66 HD21 LEU 66 -0.944 6.215 3.290 10 HD22 LEU 66 HD22 LEU 66 -1.253 4.919 2.140 11 HD23 LEU 66 HD23 LEU 66 -0.363 6.356 1.635 No H/Q in entry = 11 In of MODEL 24 1 H TYR 67 H TYR 67 -2.154 3.047 2.505 2 HA TYR 67 HA TYR 67 -1.328 2.996 5.330 3 HB2 TYR 67 HB2 TYR 67 -1.845 0.771 3.453 4 HB3 TYR 67 HB3 TYR 67 -0.460 0.604 4.525 5 HD1 TYR 67 HD1 TYR 67 -0.835 0.739 7.021 6 HD2 TYR 67 HD2 TYR 67 -4.035 0.414 4.237 7 HE1 TYR 67 HE1 TYR 67 -2.315 -0.057 8.824 8 HE2 TYR 67 HE2 TYR 67 -5.508 -0.389 6.021 9 HH TYR 67 HH TYR 67 -5.249 -1.541 8.280 No H/Q in entry = 9 In of MODEL 24 1 H TYR 68 H TYR 68 0.590 3.765 5.656 2 HA TYR 68 HA TYR 68 2.618 3.514 3.534 3 HB2 TYR 68 HB2 TYR 68 3.288 5.860 3.862 4 HB3 TYR 68 HB3 TYR 68 1.615 5.753 3.325 5 HD1 TYR 68 HD1 TYR 68 3.800 6.488 6.213 6 HD2 TYR 68 HD2 TYR 68 -0.171 6.537 4.694 7 HE1 TYR 68 HE1 TYR 68 3.102 7.901 8.100 8 HE2 TYR 68 HE2 TYR 68 -0.882 7.957 6.569 9 HH TYR 68 HH TYR 68 -0.046 8.350 8.998 No H/Q in entry = 9 In of MODEL 24 1 H THR 69 H THR 69 4.842 4.105 4.329 2 HA THR 69 HA THR 69 5.295 4.093 7.166 3 HB THR 69 HB THR 69 4.901 1.652 6.630 4 HG1 THR 69 HG1 THR 69 6.124 2.180 8.438 5 HG21 THR 69 HG21 THR 69 7.448 2.021 5.048 6 HG22 THR 69 HG22 THR 69 6.820 0.453 5.558 7 HG23 THR 69 HG23 THR 69 5.885 1.456 4.448 No H/Q in entry = 7 In of MODEL 24 1 H GLU 70 H GLU 70 7.335 4.794 7.655 2 HA GLU 70 HA GLU 70 8.900 5.980 5.553 3 HB2 GLU 70 HB2 GLU 70 8.572 6.929 7.898 4 HB3 GLU 70 HB3 GLU 70 9.663 5.677 8.465 5 HG2 GLU 70 HG2 GLU 70 11.419 6.586 6.983 6 HG3 GLU 70 HG3 GLU 70 10.319 7.892 6.535 No H/Q in entry = 6 In of MODEL 24 1 H PHE 71 H PHE 71 10.794 5.204 4.670 2 HA PHE 71 HA PHE 71 11.941 2.770 5.722 3 HB2 PHE 71 HB2 PHE 71 11.634 1.407 3.752 4 HB3 PHE 71 HB3 PHE 71 10.061 1.944 4.318 5 HD1 PHE 71 HD1 PHE 71 10.378 4.795 3.064 6 HD2 PHE 71 HD2 PHE 71 10.898 0.846 1.591 7 HE1 PHE 71 HE1 PHE 71 9.828 5.572 0.788 8 HE2 PHE 71 HE2 PHE 71 10.344 1.593 -0.676 9 HZ PHE 71 HZ PHE 71 9.821 3.972 -1.093 No H/Q in entry = 9 In of MODEL 24 1 H THR 72 H THR 72 13.912 2.125 4.536 2 HA THR 72 HA THR 72 15.086 4.344 2.987 3 HB THR 72 HB THR 72 16.570 2.481 4.853 4 HG1 THR 72 HG1 THR 72 15.384 3.826 6.148 5 HG21 THR 72 HG21 THR 72 17.950 3.365 3.025 6 HG22 THR 72 HG22 THR 72 17.461 5.007 3.447 7 HG23 THR 72 HG23 THR 72 18.427 4.056 4.575 No H/Q in entry = 7 In of MODEL 24 1 HA PRO 73 HA PRO 73 14.717 0.671 0.122 2 HB2 PRO 73 HB2 PRO 73 15.470 2.406 -1.990 3 HB3 PRO 73 HB3 PRO 73 13.827 1.886 -1.581 4 HG2 PRO 73 HG2 PRO 73 15.270 4.394 -0.843 5 HG3 PRO 73 HG3 PRO 73 13.554 4.164 -1.237 6 HD2 PRO 73 HD2 PRO 73 14.311 4.505 1.284 7 HD3 PRO 73 HD3 PRO 73 13.065 3.291 0.880 No H/Q in entry = 7 In of MODEL 24 1 H THR 74 H THR 74 16.222 -0.556 -0.784 2 HA THR 74 HA THR 74 18.946 0.413 -1.099 3 HB THR 74 HB THR 74 19.874 -1.603 -0.062 4 HG1 THR 74 HG1 THR 74 18.512 -3.077 0.992 5 HG21 THR 74 HG21 THR 74 17.914 -0.205 1.759 6 HG22 THR 74 HG22 THR 74 19.281 -1.185 2.292 7 HG23 THR 74 HG23 THR 74 19.564 0.311 1.403 No H/Q in entry = 7 In of MODEL 24 1 H GLU 75 H GLU 75 20.224 -1.324 -2.334 2 HA GLU 75 HA GLU 75 18.829 -2.155 -4.646 3 HB2 GLU 75 HB2 GLU 75 21.319 -1.572 -4.262 4 HB3 GLU 75 HB3 GLU 75 21.482 -3.224 -3.727 5 HG2 GLU 75 HG2 GLU 75 20.336 -2.623 -6.409 6 HG3 GLU 75 HG3 GLU 75 22.072 -2.583 -6.133 No H/Q in entry = 6 In of MODEL 24 1 H LYS 76 H LYS 76 20.059 -3.814 -1.827 2 HA LYS 76 HA LYS 76 19.462 -6.401 -2.799 3 HB2 LYS 76 HB2 LYS 76 20.480 -5.410 -0.153 4 HB3 LYS 76 HB3 LYS 76 20.205 -7.112 -0.499 5 HG2 LYS 76 HG2 LYS 76 22.164 -5.262 -1.844 6 HG3 LYS 76 HG3 LYS 76 22.497 -6.746 -0.926 7 HD2 LYS 76 HD2 LYS 76 21.276 -8.034 -2.622 8 HD3 LYS 76 HD3 LYS 76 21.009 -6.546 -3.531 9 HE2 LYS 76 HE2 LYS 76 23.578 -6.328 -3.511 10 HE3 LYS 76 HE3 LYS 76 23.577 -8.031 -3.047 11 HZ1 LYS 76 HZ1 LYS 76 22.247 -8.489 -5.060 12 HZ2 LYS 76 HZ2 LYS 76 22.407 -6.863 -5.517 13 HZ3 LYS 76 HZ3 LYS 76 23.779 -7.855 -5.417 No H/Q in entry = 13 In of MODEL 24 1 H ASP 77 H ASP 77 17.715 -4.147 -0.753 2 HA ASP 77 HA ASP 77 15.900 -6.329 0.008 3 HB2 ASP 77 HB2 ASP 77 16.760 -3.959 1.381 4 HB3 ASP 77 HB3 ASP 77 15.010 -3.914 1.173 No H/Q in entry = 4 In of MODEL 24 1 H GLU 78 H GLU 78 13.537 -5.651 0.096 2 HA GLU 78 HA GLU 78 12.688 -3.961 -2.110 3 HB2 GLU 78 HB2 GLU 78 13.405 -6.267 -3.009 4 HB3 GLU 78 HB3 GLU 78 11.982 -6.898 -2.212 5 HG2 GLU 78 HG2 GLU 78 11.340 -6.596 -4.422 6 HG3 GLU 78 HG3 GLU 78 10.689 -5.166 -3.637 No H/Q in entry = 6 In of MODEL 24 1 H TYR 79 H TYR 79 10.494 -3.448 -1.901 2 HA TYR 79 HA TYR 79 9.231 -4.592 0.474 3 HB2 TYR 79 HB2 TYR 79 8.676 -1.750 -0.388 4 HB3 TYR 79 HB3 TYR 79 8.389 -2.512 1.179 5 HD1 TYR 79 HD1 TYR 79 9.692 -1.749 2.892 6 HD2 TYR 79 HD2 TYR 79 11.384 -1.860 -1.015 7 HE1 TYR 79 HE1 TYR 79 11.783 -0.782 3.772 8 HE2 TYR 79 HE2 TYR 79 13.477 -0.926 -0.136 9 HH TYR 79 HH TYR 79 14.236 0.419 1.788 No H/Q in entry = 9 In of MODEL 24 1 H ALA 80 H ALA 80 6.838 -4.496 0.520 2 HA ALA 80 HA ALA 80 5.672 -4.618 -2.165 3 HB1 ALA 80 HB1 ALA 80 6.632 -6.882 -1.507 4 HB2 ALA 80 HB2 ALA 80 4.931 -6.842 -1.982 5 HB3 ALA 80 HB3 ALA 80 5.365 -6.929 -0.280 No H/Q in entry = 5 In of MODEL 24 1 H CYS 81 H CYS 81 3.271 -4.906 -2.055 2 HA CYS 81 HA CYS 81 2.217 -3.974 0.538 3 HB2 CYS 81 HB2 CYS 81 2.187 -2.135 -1.140 4 HB3 CYS 81 HB3 CYS 81 1.108 -3.116 -2.134 No H/Q in entry = 4 In of MODEL 24 1 H ARG 82 H ARG 82 0.489 -5.032 1.344 2 HA ARG 82 HA ARG 82 -0.739 -7.193 -0.282 3 HB2 ARG 82 HB2 ARG 82 0.821 -7.811 1.692 4 HB3 ARG 82 HB3 ARG 82 -0.430 -7.134 2.716 5 HG2 ARG 82 HG2 ARG 82 -2.026 -8.777 1.880 6 HG3 ARG 82 HG3 ARG 82 -0.759 -9.485 0.873 7 HD2 ARG 82 HD2 ARG 82 -0.404 -9.196 3.846 8 HD3 ARG 82 HD3 ARG 82 -1.244 -10.581 3.171 9 HE ARG 82 HE ARG 82 0.947 -10.809 1.809 10 HH11 ARG 82 HH11 ARG 82 0.796 -9.533 5.044 11 HH12 ARG 82 HH12 ARG 82 2.212 -10.378 5.593 12 HH21 ARG 82 HH21 ARG 82 2.860 -11.903 2.493 13 HH22 ARG 82 HH22 ARG 82 3.400 -11.722 4.129 No H/Q in entry = 13 In of MODEL 24 1 H VAL 83 H VAL 83 -2.978 -7.259 -0.288 2 HA VAL 83 HA VAL 83 -4.347 -5.814 1.874 3 HB VAL 83 HB VAL 83 -5.886 -4.721 0.574 4 HG11 VAL 83 HG11 VAL 83 -3.421 -4.758 -1.109 5 HG12 VAL 83 HG12 VAL 83 -4.719 -3.571 -1.215 6 HG13 VAL 83 HG13 VAL 83 -3.764 -3.704 0.263 7 HG21 VAL 83 HG21 VAL 83 -5.217 -6.537 -1.729 8 HG22 VAL 83 HG22 VAL 83 -6.678 -6.584 -0.740 9 HG23 VAL 83 HG23 VAL 83 -6.362 -5.199 -1.784 No H/Q in entry = 9 In of MODEL 24 1 H ASN 84 H ASN 84 -6.083 -6.743 2.680 2 HA ASN 84 HA ASN 84 -6.825 -9.383 1.631 3 HB2 ASN 84 HB2 ASN 84 -7.056 -8.437 4.501 4 HB3 ASN 84 HB3 ASN 84 -7.275 -10.076 3.909 5 HD21 ASN 84 HD21 ASN 84 -4.891 -7.533 4.393 6 HD22 ASN 84 HD22 ASN 84 -3.527 -8.587 4.536 No H/Q in entry = 6 In of MODEL 24 1 H HIS 85 H HIS 85 -8.806 -9.185 0.571 2 HA HIS 85 HA HIS 85 -10.974 -8.207 2.265 3 HB2 HIS 85 HB2 HIS 85 -10.213 -6.607 0.303 4 HB3 HIS 85 HB3 HIS 85 -11.087 -7.764 -0.697 5 HD2 HIS 85 HD2 HIS 85 -11.885 -5.382 2.351 6 HE1 HIS 85 HE1 HIS 85 -15.386 -6.088 0.081 7 HE2 HIS 85 HE2 HIS 85 -14.444 -4.993 2.170 No H/Q in entry = 7 In of MODEL 24 1 H VAL 86 H VAL 86 -13.028 -9.181 1.643 2 HA VAL 86 HA VAL 86 -12.743 -11.964 1.251 3 HB VAL 86 HB VAL 86 -15.171 -12.090 1.305 4 HG11 VAL 86 HG11 VAL 86 -14.074 -10.096 3.281 5 HG12 VAL 86 HG12 VAL 86 -15.574 -11.003 3.473 6 HG13 VAL 86 HG13 VAL 86 -14.030 -11.854 3.424 7 HG21 VAL 86 HG21 VAL 86 -15.660 -10.159 -0.118 8 HG22 VAL 86 HG22 VAL 86 -16.569 -10.099 1.393 9 HG23 VAL 86 HG23 VAL 86 -15.149 -9.076 1.176 No H/Q in entry = 9 In of MODEL 24 1 H THR 87 H THR 87 -13.171 -9.351 -0.958 2 HA THR 87 HA THR 87 -14.525 -10.711 -3.020 3 HB THR 87 HB THR 87 -13.627 -8.853 -4.448 4 HG1 THR 87 HG1 THR 87 -12.721 -7.417 -2.297 5 HG21 THR 87 HG21 THR 87 -14.882 -8.063 -1.823 6 HG22 THR 87 HG22 THR 87 -14.814 -7.039 -3.256 7 HG23 THR 87 HG23 THR 87 -15.738 -8.544 -3.289 No H/Q in entry = 7 In of MODEL 24 1 H LEU 88 H LEU 88 -11.127 -10.000 -2.453 2 HA LEU 88 HA LEU 88 -10.151 -11.128 -4.837 3 HB2 LEU 88 HB2 LEU 88 -8.772 -10.685 -2.181 4 HB3 LEU 88 HB3 LEU 88 -7.938 -11.188 -3.637 5 HG LEU 88 HG LEU 88 -9.374 -8.565 -3.204 6 HD11 LEU 88 HD11 LEU 88 -6.445 -9.218 -3.592 7 HD12 LEU 88 HD12 LEU 88 -7.135 -7.589 -3.512 8 HD13 LEU 88 HD13 LEU 88 -7.209 -8.653 -2.099 9 HD21 LEU 88 HD21 LEU 88 -9.679 -9.382 -5.494 10 HD22 LEU 88 HD22 LEU 88 -8.633 -7.962 -5.438 11 HD23 LEU 88 HD23 LEU 88 -7.931 -9.566 -5.654 No H/Q in entry = 11 In of MODEL 24 1 H SER 89 H SER 89 -11.123 -12.500 -1.832 2 HA SER 89 HA SER 89 -11.303 -14.588 -0.982 3 HB2 SER 89 HB2 SER 89 -10.515 -15.934 -3.494 4 HB3 SER 89 HB3 SER 89 -11.779 -16.346 -2.353 5 HG SER 89 HG SER 89 -11.907 -14.870 -4.610 No H/Q in entry = 5 In of MODEL 24 1 H GLN 90 H GLN 90 -8.529 -13.394 -2.271 2 HA GLN 90 HA GLN 90 -6.764 -15.090 -0.752 3 HB2 GLN 90 HB2 GLN 90 -5.960 -14.673 -3.601 4 HB3 GLN 90 HB3 GLN 90 -5.538 -15.983 -2.510 5 HG2 GLN 90 HG2 GLN 90 -7.330 -17.237 -3.095 6 HG3 GLN 90 HG3 GLN 90 -8.357 -15.836 -3.414 7 HE21 GLN 90 HE21 GLN 90 -9.081 -16.384 -5.387 8 HE22 GLN 90 HE22 GLN 90 -8.065 -16.556 -6.779 No H/Q in entry = 8 In of MODEL 24 1 HA PRO 91 HA PRO 91 -5.682 -10.712 -0.264 2 HB2 PRO 91 HB2 PRO 91 -3.197 -12.041 0.758 3 HB3 PRO 91 HB3 PRO 91 -4.115 -10.671 1.418 4 HG2 PRO 91 HG2 PRO 91 -4.392 -13.055 2.507 5 HG3 PRO 91 HG3 PRO 91 -5.818 -12.021 2.227 6 HD2 PRO 91 HD2 PRO 91 -4.873 -14.437 0.688 7 HD3 PRO 91 HD3 PRO 91 -6.546 -13.927 1.078 No H/Q in entry = 7 In of MODEL 24 1 H LYS 92 H LYS 92 -4.151 -9.257 -1.124 2 HA LYS 92 HA LYS 92 -2.927 -10.388 -3.545 3 HB2 LYS 92 HB2 LYS 92 -4.940 -8.949 -3.930 4 HB3 LYS 92 HB3 LYS 92 -4.054 -7.611 -3.223 5 HG2 LYS 92 HG2 LYS 92 -3.915 -7.494 -5.627 6 HG3 LYS 92 HG3 LYS 92 -2.324 -7.878 -4.949 7 HD2 LYS 92 HD2 LYS 92 -2.614 -9.333 -6.791 8 HD3 LYS 92 HD3 LYS 92 -2.885 -10.299 -5.340 9 HE2 LYS 92 HE2 LYS 92 -5.316 -10.018 -5.639 10 HE3 LYS 92 HE3 LYS 92 -5.009 -9.134 -7.134 11 HZ1 LYS 92 HZ1 LYS 92 -3.933 -11.108 -8.031 12 HZ2 LYS 92 HZ2 LYS 92 -4.246 -11.952 -6.593 13 HZ3 LYS 92 HZ3 LYS 92 -5.533 -11.447 -7.574 No H/Q in entry = 13 In of MODEL 24 1 H ILE 93 H ILE 93 -0.827 -10.109 -3.745 2 HA ILE 93 HA ILE 93 0.446 -7.936 -2.216 3 HB ILE 93 HB ILE 93 1.653 -10.562 -3.086 4 HG12 ILE 93 HG12 ILE 93 2.174 -10.657 -0.556 5 HG13 ILE 93 HG13 ILE 93 0.951 -9.409 -0.395 6 HG21 ILE 93 HG21 ILE 93 3.242 -8.742 -3.412 7 HG22 ILE 93 HG22 ILE 93 3.004 -8.235 -1.738 8 HG23 ILE 93 HG23 ILE 93 3.741 -9.799 -2.087 9 HD11 ILE 93 HD11 ILE 93 0.515 -12.146 -1.562 10 HD12 ILE 93 HD12 ILE 93 0.078 -11.636 0.066 11 HD13 ILE 93 HD13 ILE 93 -0.714 -10.903 -1.327 No H/Q in entry = 11 In of MODEL 24 1 H VAL 94 H VAL 94 1.357 -6.411 -3.365 2 HA VAL 94 HA VAL 94 2.306 -7.050 -6.069 3 HB VAL 94 HB VAL 94 0.995 -4.455 -5.223 4 HG11 VAL 94 HG11 VAL 94 2.251 -5.230 -7.854 5 HG12 VAL 94 HG12 VAL 94 1.311 -3.766 -7.567 6 HG13 VAL 94 HG13 VAL 94 2.843 -4.010 -6.727 7 HG21 VAL 94 HG21 VAL 94 -0.604 -6.253 -5.651 8 HG22 VAL 94 HG22 VAL 94 -0.694 -5.014 -6.902 9 HG23 VAL 94 HG23 VAL 94 0.131 -6.538 -7.229 No H/Q in entry = 9 In of MODEL 24 1 H LYS 95 H LYS 95 4.348 -6.529 -6.411 2 HA LYS 95 HA LYS 95 5.817 -5.518 -4.125 3 HB2 LYS 95 HB2 LYS 95 7.537 -6.760 -4.844 4 HB3 LYS 95 HB3 LYS 95 6.365 -7.504 -5.913 5 HG2 LYS 95 HG2 LYS 95 7.091 -6.227 -7.754 6 HG3 LYS 95 HG3 LYS 95 8.004 -5.123 -6.715 7 HD2 LYS 95 HD2 LYS 95 9.154 -7.414 -6.001 8 HD3 LYS 95 HD3 LYS 95 8.665 -7.859 -7.631 9 HE2 LYS 95 HE2 LYS 95 11.000 -6.779 -7.198 10 HE3 LYS 95 HE3 LYS 95 10.060 -6.324 -8.621 11 HZ1 LYS 95 HZ1 LYS 95 9.251 -4.396 -7.286 12 HZ2 LYS 95 HZ2 LYS 95 10.368 -4.808 -6.084 13 HZ3 LYS 95 HZ3 LYS 95 10.904 -4.366 -7.621 No H/Q in entry = 13 In of MODEL 24 1 H TRP 96 H TRP 96 6.893 -3.668 -4.031 2 HA TRP 96 HA TRP 96 6.092 -1.537 -5.734 3 HB2 TRP 96 HB2 TRP 96 6.554 -1.167 -3.347 4 HB3 TRP 96 HB3 TRP 96 8.230 -1.676 -3.561 5 HD1 TRP 96 HD1 TRP 96 5.885 1.135 -4.892 6 HE1 TRP 96 HE1 TRP 96 7.320 3.277 -5.120 7 HE3 TRP 96 HE3 TRP 96 10.445 -0.755 -3.529 8 HZ2 TRP 96 HZ2 TRP 96 9.989 4.053 -4.762 9 HZ3 TRP 96 HZ3 TRP 96 12.387 0.755 -3.485 10 HH2 TRP 96 HH2 TRP 96 12.152 3.132 -4.088 No H/Q in entry = 10 In of MODEL 24 1 H ASP 97 H ASP 97 6.964 -0.955 -7.595 2 HA ASP 97 HA ASP 97 9.696 -1.868 -8.204 3 HB2 ASP 97 HB2 ASP 97 9.082 -2.011 -10.569 4 HB3 ASP 97 HB3 ASP 97 8.019 -3.036 -9.608 No H/Q in entry = 4 In of MODEL 24 1 H ARG 98 H ARG 98 11.117 -0.394 -8.923 2 HA ARG 98 HA ARG 98 10.188 2.376 -8.893 3 HB2 ARG 98 HB2 ARG 98 12.614 2.907 -8.612 4 HB3 ARG 98 HB3 ARG 98 11.981 1.877 -7.341 5 HG2 ARG 98 HG2 ARG 98 13.184 0.459 -9.616 6 HG3 ARG 98 HG3 ARG 98 14.291 1.431 -8.663 7 HD2 ARG 98 HD2 ARG 98 12.415 -0.525 -7.364 8 HD3 ARG 98 HD3 ARG 98 13.975 -1.040 -8.012 9 HE ARG 98 HE ARG 98 14.264 1.186 -6.271 10 HH11 ARG 98 HH11 ARG 98 13.624 -2.260 -6.220 11 HH12 ARG 98 HH12 ARG 98 14.509 -2.540 -4.760 12 HH21 ARG 98 HH21 ARG 98 15.462 0.804 -4.333 13 HH22 ARG 98 HH22 ARG 98 15.587 -0.810 -3.708 No H/Q in entry = 13 In of MODEL 24 1 H ASP 99 H ASP 99 11.977 0.073 -10.894 2 HA ASP 99 HA ASP 99 11.642 1.898 -13.172 3 HB2 ASP 99 HB2 ASP 99 13.962 1.966 -12.010 4 HB3 ASP 99 HB3 ASP 99 14.194 0.378 -12.732 No H/Q in entry = 4 In of MODEL 24 1 H MET 100 H MET 100 11.210 -1.051 -11.840 2 HA MET 100 HA MET 100 11.798 -2.801 -14.012 3 HB2 MET 100 HB2 MET 100 10.016 -3.226 -11.599 4 HB3 MET 100 HB3 MET 100 10.633 -4.485 -12.662 5 HG2 MET 100 HG2 MET 100 12.837 -4.190 -11.916 6 HG3 MET 100 HG3 MET 100 12.454 -2.647 -11.151 7 HE1 MET 100 HE1 MET 100 14.089 -5.080 -9.783 8 HE2 MET 100 HE2 MET 100 13.802 -3.532 -8.990 9 HE3 MET 100 HE3 MET 100 13.408 -5.035 -8.156 No H/Q in entry = 9 In of MODEL 25 1 HA ILE 2 HA ILE 2 -22.232 -7.147 -5.908 2 HB ILE 2 HB ILE 2 -22.339 -7.851 -3.473 3 HG12 ILE 2 HG12 ILE 2 -22.558 -10.463 -3.319 4 HG13 ILE 2 HG13 ILE 2 -21.490 -10.449 -4.715 5 HG21 ILE 2 HG21 ILE 2 -24.299 -7.772 -4.902 6 HG22 ILE 2 HG22 ILE 2 -23.976 -9.413 -5.460 7 HG23 ILE 2 HG23 ILE 2 -24.402 -9.124 -3.774 8 HD11 ILE 2 HD11 ILE 2 -19.827 -9.214 -3.424 9 HD12 ILE 2 HD12 ILE 2 -20.899 -9.241 -2.024 10 HD13 ILE 2 HD13 ILE 2 -20.243 -10.750 -2.662 No H/Q in entry = 10 In of MODEL 25 1 H GLN 3 H GLN 3 -21.195 -5.700 -4.519 2 HA GLN 3 HA GLN 3 -19.455 -4.597 -3.522 3 HB2 GLN 3 HB2 GLN 3 -19.172 -7.077 -2.521 4 HB3 GLN 3 HB3 GLN 3 -17.703 -7.020 -3.478 5 HG2 GLN 3 HG2 GLN 3 -17.109 -6.362 -1.281 6 HG3 GLN 3 HG3 GLN 3 -17.118 -4.893 -2.270 7 HE21 GLN 3 HE21 GLN 3 -18.775 -3.380 -1.981 8 HE22 GLN 3 HE22 GLN 3 -19.771 -3.369 -0.566 No H/Q in entry = 8 In of MODEL 25 1 H ARG 4 H ARG 4 -16.925 -4.288 -3.901 2 HA ARG 4 HA ARG 4 -16.265 -4.835 -6.712 3 HB2 ARG 4 HB2 ARG 4 -16.752 -2.536 -6.797 4 HB3 ARG 4 HB3 ARG 4 -16.052 -2.262 -5.197 5 HG2 ARG 4 HG2 ARG 4 -13.977 -1.933 -6.028 6 HG3 ARG 4 HG3 ARG 4 -14.119 -3.307 -7.102 7 HD2 ARG 4 HD2 ARG 4 -15.308 -0.594 -7.756 8 HD3 ARG 4 HD3 ARG 4 -13.737 -1.165 -8.302 9 HE ARG 4 HE ARG 4 -16.192 -2.655 -8.952 10 HH11 ARG 4 HH11 ARG 4 -13.310 -0.925 -9.951 11 HH12 ARG 4 HH12 ARG 4 -13.458 -1.380 -11.616 12 HH21 ARG 4 HH21 ARG 4 -16.387 -3.265 -11.141 13 HH22 ARG 4 HH22 ARG 4 -15.228 -2.682 -12.306 No H/Q in entry = 13 In of MODEL 25 1 H THR 5 H THR 5 -14.177 -5.448 -7.098 2 HA THR 5 HA THR 5 -12.689 -6.382 -4.849 3 HB THR 5 HB THR 5 -11.073 -7.228 -6.438 4 HG1 THR 5 HG1 THR 5 -11.460 -5.131 -7.791 5 HG21 THR 5 HG21 THR 5 -13.932 -7.507 -7.318 6 HG22 THR 5 HG22 THR 5 -12.622 -8.356 -8.132 7 HG23 THR 5 HG23 THR 5 -12.926 -8.652 -6.427 No H/Q in entry = 7 In of MODEL 25 1 HA PRO 6 HA PRO 6 -10.628 -2.415 -4.311 2 HB2 PRO 6 HB2 PRO 6 -9.005 -3.830 -2.315 3 HB3 PRO 6 HB3 PRO 6 -10.083 -2.448 -2.099 4 HG2 PRO 6 HG2 PRO 6 -10.664 -4.924 -1.156 5 HG3 PRO 6 HG3 PRO 6 -11.919 -3.768 -1.669 6 HD2 PRO 6 HD2 PRO 6 -10.820 -6.162 -3.111 7 HD3 PRO 6 HD3 PRO 6 -12.480 -5.520 -3.069 No H/Q in entry = 7 In of MODEL 25 1 H LYS 7 H LYS 7 -8.961 -1.769 -5.551 2 HA LYS 7 HA LYS 7 -7.207 -3.884 -6.546 3 HB2 LYS 7 HB2 LYS 7 -8.515 -2.621 -8.222 4 HB3 LYS 7 HB3 LYS 7 -7.760 -1.126 -7.686 5 HG2 LYS 7 HG2 LYS 7 -5.609 -1.879 -8.446 6 HG3 LYS 7 HG3 LYS 7 -6.269 -3.461 -8.857 7 HD2 LYS 7 HD2 LYS 7 -7.710 -2.419 -10.543 8 HD3 LYS 7 HD3 LYS 7 -7.037 -0.839 -10.130 9 HE2 LYS 7 HE2 LYS 7 -5.987 -1.794 -12.135 10 HE3 LYS 7 HE3 LYS 7 -4.831 -1.562 -10.825 11 HZ1 LYS 7 HZ1 LYS 7 -5.127 -3.948 -10.277 12 HZ2 LYS 7 HZ2 LYS 7 -6.078 -4.123 -11.672 13 HZ3 LYS 7 HZ3 LYS 7 -4.446 -3.682 -11.802 No H/Q in entry = 13 In of MODEL 25 1 H ILE 8 H ILE 8 -4.971 -3.546 -6.745 2 HA ILE 8 HA ILE 8 -3.994 -2.055 -4.433 3 HB ILE 8 HB ILE 8 -2.266 -3.865 -6.072 4 HG12 ILE 8 HG12 ILE 8 -4.216 -5.230 -5.717 5 HG13 ILE 8 HG13 ILE 8 -2.971 -5.744 -4.589 6 HG21 ILE 8 HG21 ILE 8 -1.250 -2.543 -4.304 7 HG22 ILE 8 HG22 ILE 8 -2.385 -3.212 -3.133 8 HG23 ILE 8 HG23 ILE 8 -1.198 -4.260 -3.908 9 HD11 ILE 8 HD11 ILE 8 -4.067 -4.483 -2.814 10 HD12 ILE 8 HD12 ILE 8 -5.325 -3.994 -3.950 11 HD13 ILE 8 HD13 ILE 8 -5.132 -5.697 -3.527 No H/Q in entry = 11 In of MODEL 25 1 H GLN 9 H GLN 9 -3.228 -0.107 -4.777 2 HA GLN 9 HA GLN 9 -1.420 0.219 -7.065 3 HB2 GLN 9 HB2 GLN 9 -3.149 2.291 -5.712 4 HB3 GLN 9 HB3 GLN 9 -1.937 2.659 -6.946 5 HG2 GLN 9 HG2 GLN 9 -3.175 1.381 -8.574 6 HG3 GLN 9 HG3 GLN 9 -4.330 0.871 -7.343 7 HE21 GLN 9 HE21 GLN 9 -5.798 2.368 -6.521 8 HE22 GLN 9 HE22 GLN 9 -6.176 3.843 -7.356 No H/Q in entry = 8 In of MODEL 25 1 H VAL 10 H VAL 10 0.593 0.259 -6.417 2 HA VAL 10 HA VAL 10 1.275 1.582 -3.888 3 HB VAL 10 HB VAL 10 1.342 -0.656 -3.150 4 HG11 VAL 10 HG11 VAL 10 1.106 -1.703 -5.368 5 HG12 VAL 10 HG12 VAL 10 2.835 -1.463 -5.633 6 HG13 VAL 10 HG13 VAL 10 2.279 -2.517 -4.329 7 HG21 VAL 10 HG21 VAL 10 4.106 0.164 -4.010 8 HG22 VAL 10 HG22 VAL 10 3.328 0.430 -2.448 9 HG23 VAL 10 HG23 VAL 10 3.785 -1.204 -2.940 No H/Q in entry = 9 In of MODEL 25 1 H TYR 11 H TYR 11 2.837 2.963 -4.103 2 HA TYR 11 HA TYR 11 4.897 2.682 -6.083 3 HB2 TYR 11 HB2 TYR 11 4.370 4.821 -7.230 4 HB3 TYR 11 HB3 TYR 11 3.132 3.601 -7.492 5 HD1 TYR 11 HD1 TYR 11 0.902 3.901 -6.669 6 HD2 TYR 11 HD2 TYR 11 3.913 6.772 -5.785 7 HE1 TYR 11 HE1 TYR 11 -0.825 5.470 -5.899 8 HE2 TYR 11 HE2 TYR 11 2.192 8.350 -5.014 9 HH TYR 11 HH TYR 11 -0.996 7.414 -4.394 No H/Q in entry = 9 In of MODEL 25 1 H SER 12 H SER 12 6.372 4.609 -5.973 2 HA SER 12 HA SER 12 6.697 5.303 -3.171 3 HB2 SER 12 HB2 SER 12 8.602 4.459 -4.539 4 HB3 SER 12 HB3 SER 12 8.469 5.890 -5.550 5 HG SER 12 HG SER 12 9.486 6.995 -4.106 No H/Q in entry = 5 In of MODEL 25 1 H ARG 13 H ARG 13 6.425 7.335 -2.360 2 HA ARG 13 HA ARG 13 4.648 9.046 -3.751 3 HB2 ARG 13 HB2 ARG 13 5.008 8.774 -1.199 4 HB3 ARG 13 HB3 ARG 13 6.379 9.843 -1.394 5 HG2 ARG 13 HG2 ARG 13 3.558 10.650 -2.101 6 HG3 ARG 13 HG3 ARG 13 4.298 10.903 -0.528 7 HD2 ARG 13 HD2 ARG 13 5.373 11.972 -3.128 8 HD3 ARG 13 HD3 ARG 13 4.427 12.888 -1.964 9 HE ARG 13 HE ARG 13 7.207 12.175 -1.772 10 HH11 ARG 13 HH11 ARG 13 4.359 13.177 0.009 11 HH12 ARG 13 HH12 ARG 13 5.264 13.822 1.345 12 HH21 ARG 13 HH21 ARG 13 8.402 13.054 -0.048 13 HH22 ARG 13 HH22 ARG 13 7.574 13.774 1.301 No H/Q in entry = 13 In of MODEL 25 1 H HIS 14 H HIS 14 8.078 9.318 -3.011 2 HA HIS 14 HA HIS 14 8.326 11.206 -5.242 3 HB2 HIS 14 HB2 HIS 14 9.648 11.184 -2.561 4 HB3 HIS 14 HB3 HIS 14 10.559 11.826 -3.925 5 HD2 HIS 14 HD2 HIS 14 7.444 13.086 -5.052 6 HE1 HIS 14 HE1 HIS 14 8.332 15.702 -1.852 7 HE2 HIS 14 HE2 HIS 14 7.041 15.419 -4.011 No H/Q in entry = 7 In of MODEL 25 1 HA PRO 15 HA PRO 15 11.213 8.582 -7.351 2 HB2 PRO 15 HB2 PRO 15 13.758 9.700 -7.080 3 HB3 PRO 15 HB3 PRO 15 12.584 10.088 -8.351 4 HG2 PRO 15 HG2 PRO 15 13.202 11.586 -5.809 5 HG3 PRO 15 HG3 PRO 15 12.766 12.216 -7.432 6 HD2 PRO 15 HD2 PRO 15 10.975 12.149 -5.413 7 HD3 PRO 15 HD3 PRO 15 10.491 11.834 -7.106 No H/Q in entry = 7 In of MODEL 25 1 H ALA 16 H ALA 16 12.456 6.788 -7.010 2 HA ALA 16 HA ALA 16 12.977 6.129 -4.237 3 HB1 ALA 16 HB1 ALA 16 11.836 4.498 -5.628 4 HB2 ALA 16 HB2 ALA 16 13.212 4.452 -6.732 5 HB3 ALA 16 HB3 ALA 16 13.387 3.859 -5.082 No H/Q in entry = 5 In of MODEL 25 1 H GLU 17 H GLU 17 14.902 6.602 -3.361 2 HA GLU 17 HA GLU 17 17.285 6.227 -5.034 3 HB2 GLU 17 HB2 GLU 17 16.777 8.610 -4.407 4 HB3 GLU 17 HB3 GLU 17 17.021 8.157 -2.722 5 HG2 GLU 17 HG2 GLU 17 19.020 9.192 -3.627 6 HG3 GLU 17 HG3 GLU 17 19.319 7.496 -3.239 No H/Q in entry = 6 In of MODEL 25 1 H ASN 18 H ASN 18 18.526 4.648 -4.393 2 HA ASN 18 HA ASN 18 18.081 3.223 -1.958 3 HB2 ASN 18 HB2 ASN 18 18.760 1.808 -3.648 4 HB3 ASN 18 HB3 ASN 18 19.948 2.948 -4.283 5 HD21 ASN 18 HD21 ASN 18 21.676 1.587 -4.329 6 HD22 ASN 18 HD22 ASN 18 22.392 0.897 -2.909 No H/Q in entry = 6 In of MODEL 25 1 H GLY 19 H GLY 19 19.055 3.368 -0.066 2 HA2 GLY 19 HA2 GLY 19 21.602 4.721 0.259 3 HA3 GLY 19 HA3 GLY 19 20.634 3.965 1.535 No H/Q in entry = 3 In of MODEL 25 1 H LYS 20 H LYS 20 18.299 5.482 0.273 2 HA LYS 20 HA LYS 20 18.767 8.051 1.613 3 HB2 LYS 20 HB2 LYS 20 19.051 8.008 -0.952 4 HB3 LYS 20 HB3 LYS 20 17.318 7.758 -1.006 5 HG2 LYS 20 HG2 LYS 20 17.713 10.054 -1.343 6 HG3 LYS 20 HG3 LYS 20 17.038 9.872 0.280 7 HD2 LYS 20 HD2 LYS 20 19.225 10.132 1.266 8 HD3 LYS 20 HD3 LYS 20 19.983 10.132 -0.326 9 HE2 LYS 20 HE2 LYS 20 18.024 12.202 0.667 10 HE3 LYS 20 HE3 LYS 20 19.776 12.400 0.627 11 HZ1 LYS 20 HZ1 LYS 20 19.668 12.047 -1.801 12 HZ2 LYS 20 HZ2 LYS 20 17.976 12.031 -1.710 13 HZ3 LYS 20 HZ3 LYS 20 18.835 13.436 -1.294 No H/Q in entry = 13 In of MODEL 25 1 H SER 21 H SER 21 16.918 8.933 2.522 2 HA SER 21 HA SER 21 14.864 6.997 3.118 3 HB2 SER 21 HB2 SER 21 15.347 9.812 4.083 4 HB3 SER 21 HB3 SER 21 14.073 8.753 4.694 5 HG SER 21 HG SER 21 16.048 7.256 4.991 No H/Q in entry = 5 In of MODEL 25 1 H ASN 22 H ASN 22 12.688 7.234 2.723 2 HA ASN 22 HA ASN 22 11.674 9.429 1.127 3 HB2 ASN 22 HB2 ASN 22 12.888 7.572 -0.384 4 HB3 ASN 22 HB3 ASN 22 11.353 6.741 -0.155 5 HD21 ASN 22 HD21 ASN 22 10.910 6.918 -2.348 6 HD22 ASN 22 HD22 ASN 22 10.410 8.410 -3.060 No H/Q in entry = 6 In of MODEL 25 1 H PHE 23 H PHE 23 9.286 8.481 0.251 2 HA PHE 23 HA PHE 23 8.079 7.278 2.651 3 HB2 PHE 23 HB2 PHE 23 7.062 9.525 0.907 4 HB3 PHE 23 HB3 PHE 23 6.025 8.641 2.013 5 HD1 PHE 23 HD1 PHE 23 9.235 10.539 1.996 6 HD2 PHE 23 HD2 PHE 23 5.688 9.500 4.087 7 HE1 PHE 23 HE1 PHE 23 9.839 12.111 3.791 8 HE2 PHE 23 HE2 PHE 23 6.276 11.065 5.887 9 HZ PHE 23 HZ PHE 23 8.359 12.367 5.744 No H/Q in entry = 9 In of MODEL 25 1 H LEU 24 H LEU 24 6.792 5.545 2.270 2 HA LEU 24 HA LEU 24 6.357 4.712 -0.511 3 HB2 LEU 24 HB2 LEU 24 7.007 3.331 1.773 4 HB3 LEU 24 HB3 LEU 24 5.291 3.012 1.632 5 HG LEU 24 HG LEU 24 7.461 2.309 -0.370 6 HD11 LEU 24 HD11 LEU 24 5.623 0.631 1.336 7 HD12 LEU 24 HD12 LEU 24 6.756 0.012 0.131 8 HD13 LEU 24 HD13 LEU 24 7.359 0.853 1.561 9 HD21 LEU 24 HD21 LEU 24 4.468 1.971 -0.608 10 HD22 LEU 24 HD22 LEU 24 5.524 2.909 -1.663 11 HD23 LEU 24 HD23 LEU 24 5.653 1.152 -1.626 No H/Q in entry = 11 In of MODEL 25 1 H ASN 25 H ASN 25 4.220 4.090 -1.189 2 HA ASN 25 HA ASN 25 2.033 5.077 0.474 3 HB2 ASN 25 HB2 ASN 25 2.527 6.983 -0.908 4 HB3 ASN 25 HB3 ASN 25 2.606 5.986 -2.359 5 HD21 ASN 25 HD21 ASN 25 0.604 7.663 -0.137 6 HD22 ASN 25 HD22 ASN 25 -0.892 7.432 -0.972 No H/Q in entry = 6 In of MODEL 25 1 H CYS 26 H CYS 26 0.416 3.687 0.505 2 HA CYS 26 HA CYS 26 0.030 1.865 -1.777 3 HB2 CYS 26 HB2 CYS 26 1.012 0.932 0.479 4 HB3 CYS 26 HB3 CYS 26 -0.662 1.048 1.016 No H/Q in entry = 4 In of MODEL 25 1 H TYR 27 H TYR 27 -1.906 2.155 -2.667 2 HA TYR 27 HA TYR 27 -3.933 3.636 -1.106 3 HB2 TYR 27 HB2 TYR 27 -2.723 4.177 -3.684 4 HB3 TYR 27 HB3 TYR 27 -4.461 3.989 -3.846 5 HD1 TYR 27 HD1 TYR 27 -1.808 6.215 -2.970 6 HD2 TYR 27 HD2 TYR 27 -5.959 5.486 -2.333 7 HE1 TYR 27 HE1 TYR 27 -2.117 8.558 -2.333 8 HE2 TYR 27 HE2 TYR 27 -6.261 7.840 -1.683 9 HH TYR 27 HH TYR 27 -3.826 10.209 -2.178 No H/Q in entry = 9 In of MODEL 25 1 H VAL 28 H VAL 28 -5.285 2.030 -0.488 2 HA VAL 28 HA VAL 28 -6.347 0.299 -2.620 3 HB VAL 28 HB VAL 28 -6.883 -0.212 0.288 4 HG11 VAL 28 HG11 VAL 28 -6.668 -1.944 -2.165 5 HG12 VAL 28 HG12 VAL 28 -6.981 -2.544 -0.534 6 HG13 VAL 28 HG13 VAL 28 -8.143 -1.478 -1.321 7 HG21 VAL 28 HG21 VAL 28 -4.384 -1.000 -1.197 8 HG22 VAL 28 HG22 VAL 28 -4.497 -0.048 0.287 9 HG23 VAL 28 HG23 VAL 28 -4.926 -1.763 0.303 No H/Q in entry = 9 In of MODEL 25 1 H SER 29 H SER 29 -8.094 1.264 -3.468 2 HA SER 29 HA SER 29 -10.214 2.148 -1.679 3 HB2 SER 29 HB2 SER 29 -8.807 4.147 -2.051 4 HB3 SER 29 HB3 SER 29 -9.025 3.968 -3.791 5 HG SER 29 HG SER 29 -10.795 4.910 -1.858 No H/Q in entry = 5 In of MODEL 25 1 H GLY 30 H GLY 30 -12.056 3.113 -3.251 2 HA2 GLY 30 HA2 GLY 30 -12.316 1.601 -5.708 3 HA3 GLY 30 HA3 GLY 30 -13.485 2.738 -5.049 No H/Q in entry = 3 In of MODEL 25 1 H PHE 31 H PHE 31 -13.246 1.292 -2.405 2 HA PHE 31 HA PHE 31 -14.850 -1.070 -3.100 3 HB2 PHE 31 HB2 PHE 31 -13.758 -2.332 -1.329 4 HB3 PHE 31 HB3 PHE 31 -12.514 -1.661 -2.405 5 HD1 PHE 31 HD1 PHE 31 -13.909 -1.662 0.937 6 HD2 PHE 31 HD2 PHE 31 -11.179 0.287 -1.671 7 HE1 PHE 31 HE1 PHE 31 -12.850 -0.568 2.870 8 HE2 PHE 31 HE2 PHE 31 -10.124 1.389 0.254 9 HZ PHE 31 HZ PHE 31 -10.961 0.964 2.524 No H/Q in entry = 9 In of MODEL 25 1 H HIS 32 H HIS 32 -15.910 -1.944 -1.005 2 HA HIS 32 HA HIS 32 -16.464 -0.048 1.079 3 HB2 HIS 32 HB2 HIS 32 -18.778 -0.955 -0.703 4 HB3 HIS 32 HB3 HIS 32 -18.974 -0.232 0.882 5 HD2 HIS 32 HD2 HIS 32 -18.043 2.507 1.025 6 HE1 HIS 32 HE1 HIS 32 -18.597 3.045 -3.138 7 HE2 HIS 32 HE2 HIS 32 -18.340 4.229 -0.907 No H/Q in entry = 7 In of MODEL 25 1 HA PRO 33 HA PRO 33 -18.436 -0.237 2.899 2 HB2 PRO 33 HB2 PRO 33 -17.338 -1.387 5.386 3 HB3 PRO 33 HB3 PRO 33 -18.974 -0.824 5.035 4 HG2 PRO 33 HG2 PRO 33 -18.442 -3.424 5.289 5 HG3 PRO 33 HG3 PRO 33 -19.604 -2.837 4.083 6 HD2 PRO 33 HD2 PRO 33 -16.750 -3.680 3.709 7 HD3 PRO 33 HD3 PRO 33 -18.173 -4.059 2.716 No H/Q in entry = 7 In of MODEL 25 1 H SER 34 H SER 34 -17.364 1.250 4.627 2 HA SER 34 HA SER 34 -14.839 2.078 3.591 3 HB2 SER 34 HB2 SER 34 -16.183 3.060 6.118 4 HB3 SER 34 HB3 SER 34 -14.972 3.917 5.157 5 HG SER 34 HG SER 34 -17.152 4.598 4.751 No H/Q in entry = 5 In of MODEL 25 1 H ASP 35 H ASP 35 -14.249 -0.413 4.364 2 HA ASP 35 HA ASP 35 -12.086 0.057 6.185 3 HB2 ASP 35 HB2 ASP 35 -13.414 -0.384 7.989 4 HB3 ASP 35 HB3 ASP 35 -14.463 -1.494 7.109 No H/Q in entry = 4 In of MODEL 25 1 H ILE 36 H ILE 36 -10.448 -0.981 5.517 2 HA ILE 36 HA ILE 36 -10.600 -3.791 4.721 3 HB ILE 36 HB ILE 36 -10.608 -2.289 2.608 4 HG12 ILE 36 HG12 ILE 36 -8.688 -4.531 3.179 5 HG13 ILE 36 HG13 ILE 36 -10.156 -4.553 2.210 6 HG21 ILE 36 HG21 ILE 36 -7.749 -1.940 3.508 7 HG22 ILE 36 HG22 ILE 36 -8.360 -1.512 1.910 8 HG23 ILE 36 HG23 ILE 36 -8.950 -0.658 3.333 9 HD11 ILE 36 HD11 ILE 36 -7.587 -3.190 1.422 10 HD12 ILE 36 HD12 ILE 36 -8.116 -4.776 0.858 11 HD13 ILE 36 HD13 ILE 36 -9.041 -3.336 0.435 No H/Q in entry = 11 In of MODEL 25 1 H GLU 37 H GLU 37 -8.540 -4.901 5.064 2 HA GLU 37 HA GLU 37 -6.608 -3.325 6.595 3 HB2 GLU 37 HB2 GLU 37 -7.681 -5.399 7.622 4 HB3 GLU 37 HB3 GLU 37 -6.830 -6.318 6.391 5 HG2 GLU 37 HG2 GLU 37 -5.482 -6.488 8.304 6 HG3 GLU 37 HG3 GLU 37 -4.691 -5.274 7.296 No H/Q in entry = 6 In of MODEL 25 1 H VAL 38 H VAL 38 -4.815 -2.835 5.579 2 HA VAL 38 HA VAL 38 -3.737 -4.685 3.599 3 HB VAL 38 HB VAL 38 -4.205 -3.266 1.943 4 HG11 VAL 38 HG11 VAL 38 -4.604 -1.103 3.983 5 HG12 VAL 38 HG12 VAL 38 -4.930 -0.938 2.257 6 HG13 VAL 38 HG13 VAL 38 -5.839 -2.104 3.217 7 HG21 VAL 38 HG21 VAL 38 -2.084 -1.540 3.229 8 HG22 VAL 38 HG22 VAL 38 -1.829 -2.812 2.041 9 HG23 VAL 38 HG23 VAL 38 -2.682 -1.337 1.579 No H/Q in entry = 9 In of MODEL 25 1 H ASP 39 H ASP 39 -1.554 -4.817 3.537 2 HA ASP 39 HA ASP 39 -0.076 -3.399 5.650 3 HB2 ASP 39 HB2 ASP 39 0.287 -5.263 6.855 4 HB3 ASP 39 HB3 ASP 39 -0.876 -6.081 5.822 No H/Q in entry = 4 In of MODEL 25 1 H LEU 40 H LEU 40 2.223 -3.385 5.365 2 HA LEU 40 HA LEU 40 2.964 -3.634 2.533 3 HB2 LEU 40 HB2 LEU 40 4.473 -2.018 4.569 4 HB3 LEU 40 HB3 LEU 40 4.557 -1.919 2.821 5 HG LEU 40 HG LEU 40 2.239 -1.025 4.532 6 HD11 LEU 40 HD11 LEU 40 4.307 0.538 2.989 7 HD12 LEU 40 HD12 LEU 40 2.900 1.229 3.802 8 HD13 LEU 40 HD13 LEU 40 4.163 0.435 4.748 9 HD21 LEU 40 HD21 LEU 40 2.640 -0.936 1.551 10 HD22 LEU 40 HD22 LEU 40 1.367 -1.775 2.442 11 HD23 LEU 40 HD23 LEU 40 1.414 -0.008 2.419 No H/Q in entry = 11 In of MODEL 25 1 H LEU 41 H LEU 41 4.702 -4.801 1.962 2 HA LEU 41 HA LEU 41 5.864 -6.476 4.078 3 HB2 LEU 41 HB2 LEU 41 5.650 -7.222 1.187 4 HB3 LEU 41 HB3 LEU 41 6.049 -8.253 2.524 5 HG LEU 41 HG LEU 41 3.348 -6.981 2.166 6 HD11 LEU 41 HD11 LEU 41 3.898 -8.513 0.316 7 HD12 LEU 41 HD12 LEU 41 4.219 -9.786 1.494 8 HD13 LEU 41 HD13 LEU 41 2.590 -9.123 1.330 9 HD21 LEU 41 HD21 LEU 41 3.928 -7.599 4.461 10 HD22 LEU 41 HD22 LEU 41 2.652 -8.634 3.818 11 HD23 LEU 41 HD23 LEU 41 4.307 -9.234 3.926 No H/Q in entry = 11 In of MODEL 25 1 H LYS 42 H LYS 42 7.765 -7.656 3.072 2 HA LYS 42 HA LYS 42 9.618 -6.021 1.615 3 HB2 LYS 42 HB2 LYS 42 9.942 -6.434 4.550 4 HB3 LYS 42 HB3 LYS 42 11.381 -6.417 3.529 5 HG2 LYS 42 HG2 LYS 42 10.732 -4.236 2.647 6 HG3 LYS 42 HG3 LYS 42 9.312 -4.228 3.693 7 HD2 LYS 42 HD2 LYS 42 12.223 -4.201 4.522 8 HD3 LYS 42 HD3 LYS 42 11.062 -2.886 4.684 9 HE2 LYS 42 HE2 LYS 42 9.760 -4.260 6.255 10 HE3 LYS 42 HE3 LYS 42 10.968 -5.535 6.116 11 HZ1 LYS 42 HZ1 LYS 42 12.625 -3.919 6.945 12 HZ2 LYS 42 HZ2 LYS 42 11.374 -2.807 7.214 13 HZ3 LYS 42 HZ3 LYS 42 11.411 -4.272 8.075 No H/Q in entry = 13 In of MODEL 25 1 H ASN 43 H ASN 43 9.973 -7.502 0.154 2 HA ASN 43 HA ASN 43 10.543 -9.405 -0.892 3 HB2 ASN 43 HB2 ASN 43 12.058 -9.814 1.674 4 HB3 ASN 43 HB3 ASN 43 12.154 -10.964 0.347 5 HD21 ASN 43 HD21 ASN 43 12.949 -7.757 1.443 6 HD22 ASN 43 HD22 ASN 43 14.064 -7.377 0.179 No H/Q in entry = 6 In of MODEL 25 1 H GLY 44 H GLY 44 8.779 -9.591 2.018 2 HA2 GLY 44 HA2 GLY 44 8.040 -12.372 1.699 3 HA3 GLY 44 HA3 GLY 44 6.809 -11.214 1.194 No H/Q in entry = 3 In of MODEL 25 1 H GLU 45 H GLU 45 8.465 -9.730 3.613 2 HA GLU 45 HA GLU 45 6.961 -11.035 5.778 3 HB2 GLU 45 HB2 GLU 45 9.421 -9.318 5.899 4 HB3 GLU 45 HB3 GLU 45 8.761 -10.297 7.204 5 HG2 GLU 45 HG2 GLU 45 9.739 -11.434 4.614 6 HG3 GLU 45 HG3 GLU 45 10.772 -11.179 5.998 No H/Q in entry = 6 In of MODEL 25 1 H ARG 46 H ARG 46 5.854 -9.741 7.286 2 HA ARG 46 HA ARG 46 4.818 -7.318 6.278 3 HB2 ARG 46 HB2 ARG 46 3.520 -8.804 7.746 4 HB3 ARG 46 HB3 ARG 46 4.638 -8.469 9.070 5 HG2 ARG 46 HG2 ARG 46 3.997 -6.144 9.094 6 HG3 ARG 46 HG3 ARG 46 2.988 -6.361 7.673 7 HD2 ARG 46 HD2 ARG 46 1.382 -7.627 8.891 8 HD3 ARG 46 HD3 ARG 46 2.477 -7.786 10.277 9 HE ARG 46 HE ARG 46 2.123 -5.077 9.870 10 HH11 ARG 46 HH11 ARG 46 0.061 -7.805 10.650 11 HH12 ARG 46 HH12 ARG 46 -1.091 -6.832 11.512 12 HH21 ARG 46 HH21 ARG 46 0.617 -3.813 11.023 13 HH22 ARG 46 HH22 ARG 46 -0.778 -4.579 11.733 No H/Q in entry = 13 In of MODEL 25 1 H ILE 47 H ILE 47 5.244 -5.255 6.739 2 HA ILE 47 HA ILE 47 7.589 -4.599 8.339 3 HB ILE 47 HB ILE 47 5.764 -2.809 6.716 4 HG12 ILE 47 HG12 ILE 47 8.518 -3.812 6.044 5 HG13 ILE 47 HG13 ILE 47 7.042 -4.531 5.411 6 HG21 ILE 47 HG21 ILE 47 6.956 -1.652 8.534 7 HG22 ILE 47 HG22 ILE 47 8.486 -2.259 7.903 8 HG23 ILE 47 HG23 ILE 47 7.520 -1.139 6.942 9 HD11 ILE 47 HD11 ILE 47 7.914 -1.686 4.978 10 HD12 ILE 47 HD12 ILE 47 8.088 -3.004 3.819 11 HD13 ILE 47 HD13 ILE 47 6.482 -2.456 4.299 No H/Q in entry = 11 In of MODEL 25 1 H GLU 48 H GLU 48 7.436 -3.542 10.294 2 HA GLU 48 HA GLU 48 4.769 -3.630 11.438 3 HB2 GLU 48 HB2 GLU 48 6.297 -3.109 13.573 4 HB3 GLU 48 HB3 GLU 48 6.005 -4.722 12.981 5 HG2 GLU 48 HG2 GLU 48 8.253 -4.655 13.374 6 HG3 GLU 48 HG3 GLU 48 8.128 -4.348 11.660 No H/Q in entry = 6 In of MODEL 25 1 H LYS 49 H LYS 49 7.365 -1.262 10.931 2 HA LYS 49 HA LYS 49 6.036 0.771 12.311 3 HB2 LYS 49 HB2 LYS 49 8.160 1.034 10.223 4 HB3 LYS 49 HB3 LYS 49 7.738 2.231 11.458 5 HG2 LYS 49 HG2 LYS 49 8.160 0.345 13.136 6 HG3 LYS 49 HG3 LYS 49 8.992 -0.451 11.832 7 HD2 LYS 49 HD2 LYS 49 10.443 1.634 11.634 8 HD3 LYS 49 HD3 LYS 49 9.706 2.161 13.146 9 HE2 LYS 49 HE2 LYS 49 11.851 1.090 13.558 10 HE3 LYS 49 HE3 LYS 49 10.551 0.124 14.251 11 HZ1 LYS 49 HZ1 LYS 49 10.639 -1.307 12.299 12 HZ2 LYS 49 HZ2 LYS 49 11.919 -0.384 11.668 13 HZ3 LYS 49 HZ3 LYS 49 12.136 -1.261 13.104 No H/Q in entry = 13 In of MODEL 25 1 H VAL 50 H VAL 50 4.956 -0.614 9.600 2 HA VAL 50 HA VAL 50 4.121 1.537 8.006 3 HB VAL 50 HB VAL 50 2.679 -1.062 8.552 4 HG11 VAL 50 HG11 VAL 50 1.176 0.663 7.649 5 HG12 VAL 50 HG12 VAL 50 2.304 0.939 6.316 6 HG13 VAL 50 HG13 VAL 50 1.478 -0.614 6.463 7 HG21 VAL 50 HG21 VAL 50 4.572 -0.252 6.352 8 HG22 VAL 50 HG22 VAL 50 4.892 -1.414 7.639 9 HG23 VAL 50 HG23 VAL 50 3.673 -1.765 6.416 No H/Q in entry = 9 In of MODEL 25 1 H GLU 51 H GLU 51 2.562 3.010 8.220 2 HA GLU 51 HA GLU 51 0.708 2.702 10.469 3 HB2 GLU 51 HB2 GLU 51 1.910 5.335 9.607 4 HB3 GLU 51 HB3 GLU 51 0.844 5.040 10.978 5 HG2 GLU 51 HG2 GLU 51 2.539 3.800 12.108 6 HG3 GLU 51 HG3 GLU 51 3.610 3.905 10.710 No H/Q in entry = 6 In of MODEL 25 1 H HIS 52 H HIS 52 -1.290 3.384 10.138 2 HA HIS 52 HA HIS 52 -1.966 4.385 7.442 3 HB2 HIS 52 HB2 HIS 52 -3.230 2.402 7.704 4 HB3 HIS 52 HB3 HIS 52 -3.688 2.790 9.344 5 HD2 HIS 52 HD2 HIS 52 -4.452 4.385 5.832 6 HE1 HIS 52 HE1 HIS 52 -7.829 4.650 8.369 7 HE2 HIS 52 HE2 HIS 52 -6.826 5.379 6.160 No H/Q in entry = 7 In of MODEL 25 1 H SER 53 H SER 53 -2.583 6.350 7.252 2 HA SER 53 HA SER 53 -2.581 8.053 9.582 3 HB2 SER 53 HB2 SER 53 -1.657 8.683 7.300 4 HB3 SER 53 HB3 SER 53 -3.326 8.860 6.760 5 HG SER 53 HG SER 53 -2.283 10.240 9.015 No H/Q in entry = 5 In of MODEL 25 1 H ASP 54 H ASP 54 -4.497 9.990 8.931 2 HA ASP 54 HA ASP 54 -6.798 9.107 10.197 3 HB2 ASP 54 HB2 ASP 54 -6.308 11.480 9.902 4 HB3 ASP 54 HB3 ASP 54 -6.500 11.327 8.159 No H/Q in entry = 4 In of MODEL 25 1 H LEU 55 H LEU 55 -8.659 8.146 9.566 2 HA LEU 55 HA LEU 55 -8.723 6.248 7.644 3 HB2 LEU 55 HB2 LEU 55 -10.446 6.830 9.497 4 HB3 LEU 55 HB3 LEU 55 -11.241 7.765 8.252 5 HG LEU 55 HG LEU 55 -12.191 5.477 8.640 6 HD11 LEU 55 HD11 LEU 55 -12.588 6.664 6.550 7 HD12 LEU 55 HD12 LEU 55 -11.109 5.981 5.877 8 HD13 LEU 55 HD13 LEU 55 -12.458 4.925 6.292 9 HD21 LEU 55 HD21 LEU 55 -9.589 4.595 7.404 10 HD22 LEU 55 HD22 LEU 55 -10.134 4.271 9.051 11 HD23 LEU 55 HD23 LEU 55 -10.991 3.564 7.682 No H/Q in entry = 11 In of MODEL 25 1 H SER 56 H SER 56 -10.821 9.054 7.094 2 HA SER 56 HA SER 56 -9.489 10.210 4.995 3 HB2 SER 56 HB2 SER 56 -10.938 9.402 3.019 4 HB3 SER 56 HB3 SER 56 -9.691 8.287 3.588 5 HG SER 56 HG SER 56 -11.185 6.964 4.327 No H/Q in entry = 5 In of MODEL 25 1 H PHE 57 H PHE 57 -10.942 11.521 3.573 2 HA PHE 57 HA PHE 57 -13.605 11.972 4.722 3 HB2 PHE 57 HB2 PHE 57 -12.192 13.856 5.460 4 HB3 PHE 57 HB3 PHE 57 -11.701 14.163 3.797 5 HD1 PHE 57 HD1 PHE 57 -14.741 13.980 5.942 6 HD2 PHE 57 HD2 PHE 57 -12.860 15.701 2.531 7 HE1 PHE 57 HE1 PHE 57 -16.651 15.505 5.663 8 HE2 PHE 57 HE2 PHE 57 -14.771 17.230 2.247 9 HZ PHE 57 HZ PHE 57 -16.666 17.131 3.815 No H/Q in entry = 9 In of MODEL 25 1 H SER 58 H SER 58 -15.005 11.378 3.214 2 HA SER 58 HA SER 58 -14.345 10.882 0.537 3 HB2 SER 58 HB2 SER 58 -16.326 9.940 1.832 4 HB3 SER 58 HB3 SER 58 -17.134 11.483 1.552 5 HG SER 58 HG SER 58 -16.124 9.759 -0.479 No H/Q in entry = 5 In of MODEL 25 1 H LYS 59 H LYS 59 -14.960 12.043 -1.385 2 HA LYS 59 HA LYS 59 -15.231 14.925 -0.937 3 HB2 LYS 59 HB2 LYS 59 -13.258 13.788 -2.925 4 HB3 LYS 59 HB3 LYS 59 -13.460 15.468 -2.452 5 HG2 LYS 59 HG2 LYS 59 -12.726 14.779 -0.140 6 HG3 LYS 59 HG3 LYS 59 -12.279 13.223 -0.844 7 HD2 LYS 59 HD2 LYS 59 -11.184 15.937 -1.579 8 HD3 LYS 59 HD3 LYS 59 -10.331 14.638 -0.746 9 HE2 LYS 59 HE2 LYS 59 -11.385 14.511 -3.571 10 HE3 LYS 59 HE3 LYS 59 -9.708 14.804 -3.121 11 HZ1 LYS 59 HZ1 LYS 59 -9.712 12.613 -2.015 12 HZ2 LYS 59 HZ2 LYS 59 -11.272 12.337 -2.614 13 HZ3 LYS 59 HZ3 LYS 59 -9.979 12.514 -3.689 No H/Q in entry = 13 In of MODEL 25 1 H ASP 60 H ASP 60 -14.549 13.016 -3.857 2 HA ASP 60 HA ASP 60 -17.310 13.515 -4.735 3 HB2 ASP 60 HB2 ASP 60 -15.715 15.058 -5.856 4 HB3 ASP 60 HB3 ASP 60 -14.837 13.663 -6.475 No H/Q in entry = 4 In of MODEL 25 1 H TRP 61 H TRP 61 -14.490 11.437 -4.716 2 HA TRP 61 HA TRP 61 -16.127 9.293 -5.904 3 HB2 TRP 61 HB2 TRP 61 -13.219 9.949 -6.289 4 HB3 TRP 61 HB3 TRP 61 -13.827 8.321 -6.572 5 HD1 TRP 61 HD1 TRP 61 -13.765 11.790 -8.101 6 HE1 TRP 61 HE1 TRP 61 -14.801 11.683 -10.456 7 HE3 TRP 61 HE3 TRP 61 -15.625 7.032 -7.944 8 HZ2 TRP 61 HZ2 TRP 61 -16.217 9.825 -12.031 9 HZ3 TRP 61 HZ3 TRP 61 -16.810 6.156 -9.909 10 HH2 TRP 61 HH2 TRP 61 -17.102 7.546 -11.936 No H/Q in entry = 10 In of MODEL 25 1 H SER 62 H SER 62 -16.817 8.600 -3.812 2 HA SER 62 HA SER 62 -16.811 6.960 -2.248 3 HB2 SER 62 HB2 SER 62 -14.233 6.184 -3.645 4 HB3 SER 62 HB3 SER 62 -15.060 5.164 -2.461 5 HG SER 62 HG SER 62 -15.729 5.767 -5.097 No H/Q in entry = 5 In of MODEL 25 1 H PHE 63 H PHE 63 -14.921 5.750 -0.719 2 HA PHE 63 HA PHE 63 -13.609 7.951 0.733 3 HB2 PHE 63 HB2 PHE 63 -14.243 5.153 1.729 4 HB3 PHE 63 HB3 PHE 63 -13.619 6.483 2.689 5 HD1 PHE 63 HD1 PHE 63 -15.083 8.051 3.699 6 HD2 PHE 63 HD2 PHE 63 -16.585 5.243 0.868 7 HE1 PHE 63 HE1 PHE 63 -17.394 8.638 4.351 8 HE2 PHE 63 HE2 PHE 63 -18.892 5.829 1.510 9 HZ PHE 63 HZ PHE 63 -19.291 7.526 3.247 No H/Q in entry = 9 In of MODEL 25 1 H TYR 64 H TYR 64 -11.585 7.022 1.970 2 HA TYR 64 HA TYR 64 -10.008 5.387 0.115 3 HB2 TYR 64 HB2 TYR 64 -9.036 8.060 1.174 4 HB3 TYR 64 HB3 TYR 64 -8.231 7.041 -0.008 5 HD1 TYR 64 HD1 TYR 64 -10.676 9.640 0.527 6 HD2 TYR 64 HD2 TYR 64 -9.206 6.837 -2.323 7 HE1 TYR 64 HE1 TYR 64 -11.780 10.899 -1.281 8 HE2 TYR 64 HE2 TYR 64 -10.310 8.097 -4.132 9 HH TYR 64 HH TYR 64 -12.281 9.652 -4.320 No H/Q in entry = 9 In of MODEL 25 1 H LEU 65 H LEU 65 -8.178 4.345 1.117 2 HA LEU 65 HA LEU 65 -7.567 5.147 3.845 3 HB2 LEU 65 HB2 LEU 65 -9.090 3.399 4.277 4 HB3 LEU 65 HB3 LEU 65 -8.418 2.374 3.027 5 HG LEU 65 HG LEU 65 -6.699 3.065 5.383 6 HD11 LEU 65 HD11 LEU 65 -8.976 2.478 6.227 7 HD12 LEU 65 HD12 LEU 65 -8.806 0.918 5.422 8 HD13 LEU 65 HD13 LEU 65 -7.700 1.371 6.719 9 HD21 LEU 65 HD21 LEU 65 -5.903 1.727 3.423 10 HD22 LEU 65 HD22 LEU 65 -5.796 0.897 4.980 11 HD23 LEU 65 HD23 LEU 65 -7.097 0.500 3.856 No H/Q in entry = 11 In of MODEL 25 1 H LEU 66 H LEU 66 -5.480 5.168 4.277 2 HA LEU 66 HA LEU 66 -3.704 4.262 2.120 3 HB2 LEU 66 HB2 LEU 66 -3.858 6.531 1.794 4 HB3 LEU 66 HB3 LEU 66 -3.921 6.906 3.497 5 HG LEU 66 HG LEU 66 -1.472 6.375 3.647 6 HD11 LEU 66 HD11 LEU 66 -1.774 5.779 0.761 7 HD12 LEU 66 HD12 LEU 66 -0.227 6.172 1.518 8 HD13 LEU 66 HD13 LEU 66 -1.144 4.767 2.060 9 HD21 LEU 66 HD21 LEU 66 -2.172 8.361 1.485 10 HD22 LEU 66 HD22 LEU 66 -2.166 8.688 3.217 11 HD23 LEU 66 HD23 LEU 66 -0.658 8.311 2.385 No H/Q in entry = 11 In of MODEL 25 1 H TYR 67 H TYR 67 -2.215 2.895 2.737 2 HA TYR 67 HA TYR 67 -1.210 2.961 5.497 3 HB2 TYR 67 HB2 TYR 67 -1.761 0.722 3.627 4 HB3 TYR 67 HB3 TYR 67 -0.347 0.574 4.664 5 HD1 TYR 67 HD1 TYR 67 -4.003 0.582 4.535 6 HD2 TYR 67 HD2 TYR 67 -0.596 0.432 7.090 7 HE1 TYR 67 HE1 TYR 67 -5.399 -0.286 6.338 8 HE2 TYR 67 HE2 TYR 67 -2.002 -0.425 8.919 9 HH TYR 67 HH TYR 67 -4.960 -1.728 8.522 No H/Q in entry = 9 In of MODEL 25 1 H TYR 68 H TYR 68 0.727 3.791 5.716 2 HA TYR 68 HA TYR 68 2.625 3.547 3.481 3 HB2 TYR 68 HB2 TYR 68 3.261 5.894 3.645 4 HB3 TYR 68 HB3 TYR 68 1.527 5.774 3.331 5 HD1 TYR 68 HD1 TYR 68 4.090 6.917 5.631 6 HD2 TYR 68 HD2 TYR 68 -0.084 6.253 5.187 7 HE1 TYR 68 HE1 TYR 68 3.656 8.369 7.568 8 HE2 TYR 68 HE2 TYR 68 -0.535 7.719 7.114 9 HH TYR 68 HH TYR 68 0.696 8.475 9.156 No H/Q in entry = 9 In of MODEL 25 1 H THR 69 H THR 69 4.846 4.157 4.092 2 HA THR 69 HA THR 69 5.482 4.263 6.913 3 HB THR 69 HB THR 69 5.270 1.816 6.489 4 HG1 THR 69 HG1 THR 69 6.824 2.704 8.012 5 HG21 THR 69 HG21 THR 69 7.477 2.326 4.498 6 HG22 THR 69 HG22 THR 69 7.086 0.727 5.132 7 HG23 THR 69 HG23 THR 69 5.888 1.621 4.191 No H/Q in entry = 7 In of MODEL 25 1 H GLU 70 H GLU 70 7.446 5.242 7.272 2 HA GLU 70 HA GLU 70 8.840 6.358 4.986 3 HB2 GLU 70 HB2 GLU 70 8.486 7.627 7.153 4 HB3 GLU 70 HB3 GLU 70 9.587 6.499 7.925 5 HG2 GLU 70 HG2 GLU 70 11.318 7.217 6.230 6 HG3 GLU 70 HG3 GLU 70 10.209 8.508 5.784 No H/Q in entry = 6 In of MODEL 25 1 H PHE 71 H PHE 71 10.755 5.595 4.151 2 HA PHE 71 HA PHE 71 12.012 3.334 5.459 3 HB2 PHE 71 HB2 PHE 71 11.742 1.791 3.607 4 HB3 PHE 71 HB3 PHE 71 10.160 2.310 4.167 5 HD1 PHE 71 HD1 PHE 71 10.892 1.017 1.512 6 HD2 PHE 71 HD2 PHE 71 10.415 5.073 2.677 7 HE1 PHE 71 HE1 PHE 71 10.270 1.590 -0.794 8 HE2 PHE 71 HE2 PHE 71 9.802 5.668 0.362 9 HZ PHE 71 HZ PHE 71 9.735 3.927 -1.384 No H/Q in entry = 9 In of MODEL 25 1 H THR 72 H THR 72 14.038 2.756 4.510 2 HA THR 72 HA THR 72 15.102 4.735 2.619 3 HB THR 72 HB THR 72 16.640 3.182 4.713 4 HG1 THR 72 HG1 THR 72 15.264 4.874 5.563 5 HG21 THR 72 HG21 THR 72 17.973 3.719 2.730 6 HG22 THR 72 HG22 THR 72 17.499 5.414 2.867 7 HG23 THR 72 HG23 THR 72 18.495 4.671 4.121 No H/Q in entry = 7 In of MODEL 25 1 HA PRO 73 HA PRO 73 14.773 0.763 0.241 2 HB2 PRO 73 HB2 PRO 73 15.469 2.223 -2.083 3 HB3 PRO 73 HB3 PRO 73 13.838 1.758 -1.580 4 HG2 PRO 73 HG2 PRO 73 15.286 4.336 -1.216 5 HG3 PRO 73 HG3 PRO 73 13.558 4.054 -1.516 6 HD2 PRO 73 HD2 PRO 73 14.431 4.729 0.911 7 HD3 PRO 73 HD3 PRO 73 13.139 3.516 0.716 No H/Q in entry = 7 In of MODEL 25 1 H THR 74 H THR 74 16.323 -0.553 -0.555 2 HA THR 74 HA THR 74 19.048 0.493 -0.771 3 HB THR 74 HB THR 74 19.951 -1.485 0.296 4 HG1 THR 74 HG1 THR 74 18.511 -3.068 1.180 5 HG21 THR 74 HG21 THR 74 19.299 0.344 1.795 6 HG22 THR 74 HG22 THR 74 17.697 -0.374 1.968 7 HG23 THR 74 HG23 THR 74 19.115 -1.226 2.577 No H/Q in entry = 7 In of MODEL 25 1 H GLU 75 H GLU 75 20.447 -0.913 -2.073 2 HA GLU 75 HA GLU 75 19.486 -1.756 -4.510 3 HB2 GLU 75 HB2 GLU 75 21.900 -1.425 -3.618 4 HB3 GLU 75 HB3 GLU 75 21.808 -3.106 -3.147 5 HG2 GLU 75 HG2 GLU 75 21.609 -2.005 -5.935 6 HG3 GLU 75 HG3 GLU 75 22.964 -2.883 -5.234 No H/Q in entry = 6 In of MODEL 25 1 H LYS 76 H LYS 76 19.973 -3.668 -1.581 2 HA LYS 76 HA LYS 76 19.477 -6.118 -2.993 3 HB2 LYS 76 HB2 LYS 76 20.278 -5.517 -0.163 4 HB3 LYS 76 HB3 LYS 76 20.087 -7.141 -0.803 5 HG2 LYS 76 HG2 LYS 76 22.073 -7.101 -1.818 6 HG3 LYS 76 HG3 LYS 76 21.823 -5.469 -2.438 7 HD2 LYS 76 HD2 LYS 76 22.395 -4.562 -0.228 8 HD3 LYS 76 HD3 LYS 76 22.693 -6.202 0.352 9 HE2 LYS 76 HE2 LYS 76 24.417 -6.429 -1.454 10 HE3 LYS 76 HE3 LYS 76 24.195 -4.710 -1.793 11 HZ1 LYS 76 HZ1 LYS 76 24.821 -4.242 0.520 12 HZ2 LYS 76 HZ2 LYS 76 25.105 -5.890 0.777 13 HZ3 LYS 76 HZ3 LYS 76 26.062 -5.031 -0.321 No H/Q in entry = 13 In of MODEL 25 1 H ASP 77 H ASP 77 17.610 -3.998 -0.969 2 HA ASP 77 HA ASP 77 15.892 -6.249 -0.157 3 HB2 ASP 77 HB2 ASP 77 16.771 -4.116 1.323 4 HB3 ASP 77 HB3 ASP 77 15.159 -3.591 0.834 No H/Q in entry = 4 In of MODEL 25 1 H GLU 78 H GLU 78 13.480 -5.286 0.123 2 HA GLU 78 HA GLU 78 12.499 -3.829 -2.124 3 HB2 GLU 78 HB2 GLU 78 13.219 -6.002 -3.186 4 HB3 GLU 78 HB3 GLU 78 12.014 -6.820 -2.205 5 HG2 GLU 78 HG2 GLU 78 10.918 -6.549 -4.205 6 HG3 GLU 78 HG3 GLU 78 10.356 -5.135 -3.316 No H/Q in entry = 6 In of MODEL 25 1 H TYR 79 H TYR 79 10.180 -3.637 -2.061 2 HA TYR 79 HA TYR 79 8.985 -4.538 0.448 3 HB2 TYR 79 HB2 TYR 79 8.432 -1.848 -0.816 4 HB3 TYR 79 HB3 TYR 79 7.982 -2.390 0.790 5 HD1 TYR 79 HD1 TYR 79 9.450 -2.137 2.631 6 HD2 TYR 79 HD2 TYR 79 10.870 -1.405 -1.312 7 HE1 TYR 79 HE1 TYR 79 11.519 -1.190 3.558 8 HE2 TYR 79 HE2 TYR 79 12.946 -0.461 -0.393 9 HH TYR 79 HH TYR 79 13.914 -0.893 2.768 No H/Q in entry = 9 In of MODEL 25 1 H ALA 80 H ALA 80 6.674 -4.730 0.457 2 HA ALA 80 HA ALA 80 5.412 -4.851 -2.209 3 HB1 ALA 80 HB1 ALA 80 4.733 -7.042 -2.066 4 HB2 ALA 80 HB2 ALA 80 6.344 -7.125 -1.346 5 HB3 ALA 80 HB3 ALA 80 4.910 -7.097 -0.320 No H/Q in entry = 5 In of MODEL 25 1 H CYS 81 H CYS 81 2.993 -5.069 -2.082 2 HA CYS 81 HA CYS 81 1.927 -3.962 0.442 3 HB2 CYS 81 HB2 CYS 81 1.493 -3.254 -2.402 4 HB3 CYS 81 HB3 CYS 81 0.045 -3.322 -1.403 No H/Q in entry = 4 In of MODEL 25 1 H ARG 82 H ARG 82 0.308 -5.133 1.390 2 HA ARG 82 HA ARG 82 -0.999 -7.289 -0.186 3 HB2 ARG 82 HB2 ARG 82 0.523 -7.934 1.798 4 HB3 ARG 82 HB3 ARG 82 -0.735 -7.242 2.807 5 HG2 ARG 82 HG2 ARG 82 -2.282 -8.876 1.459 6 HG3 ARG 82 HG3 ARG 82 -0.759 -9.729 1.189 7 HD2 ARG 82 HD2 ARG 82 -2.097 -9.082 3.795 8 HD3 ARG 82 HD3 ARG 82 -1.668 -10.670 3.163 9 HE ARG 82 HE ARG 82 0.428 -8.725 3.872 10 HH11 ARG 82 HH11 ARG 82 -1.135 -11.827 4.368 11 HH12 ARG 82 HH12 ARG 82 0.028 -12.378 5.535 12 HH21 ARG 82 HH21 ARG 82 1.953 -9.435 5.388 13 HH22 ARG 82 HH22 ARG 82 1.817 -11.021 6.092 No H/Q in entry = 13 In of MODEL 25 1 H VAL 83 H VAL 83 -3.257 -7.343 -0.145 2 HA VAL 83 HA VAL 83 -4.567 -5.809 1.991 3 HB VAL 83 HB VAL 83 -6.084 -4.681 0.687 4 HG11 VAL 83 HG11 VAL 83 -3.557 -4.737 -0.898 5 HG12 VAL 83 HG12 VAL 83 -4.840 -3.540 -1.084 6 HG13 VAL 83 HG13 VAL 83 -3.964 -3.671 0.445 7 HG21 VAL 83 HG21 VAL 83 -5.405 -6.477 -1.632 8 HG22 VAL 83 HG22 VAL 83 -6.892 -6.499 -0.681 9 HG23 VAL 83 HG23 VAL 83 -6.514 -5.106 -1.697 No H/Q in entry = 9 In of MODEL 25 1 H ASN 84 H ASN 84 -6.407 -6.624 2.754 2 HA ASN 84 HA ASN 84 -7.251 -9.227 1.709 3 HB2 ASN 84 HB2 ASN 84 -7.341 -8.301 4.597 4 HB3 ASN 84 HB3 ASN 84 -7.762 -9.900 4.004 5 HD21 ASN 84 HD21 ASN 84 -5.068 -7.632 4.281 6 HD22 ASN 84 HD22 ASN 84 -3.840 -8.843 4.397 No H/Q in entry = 6 In of MODEL 25 1 H HIS 85 H HIS 85 -9.288 -9.164 0.857 2 HA HIS 85 HA HIS 85 -11.368 -7.898 2.449 3 HB2 HIS 85 HB2 HIS 85 -10.456 -6.397 0.459 4 HB3 HIS 85 HB3 HIS 85 -11.489 -7.449 -0.505 5 HD2 HIS 85 HD2 HIS 85 -11.948 -5.171 2.691 6 HE1 HIS 85 HE1 HIS 85 -15.470 -5.147 0.334 7 HE2 HIS 85 HE2 HIS 85 -14.261 -4.055 2.276 No H/Q in entry = 7 In of MODEL 25 1 H VAL 86 H VAL 86 -13.612 -8.601 1.492 2 HA VAL 86 HA VAL 86 -13.518 -11.433 1.433 3 HB VAL 86 HB VAL 86 -15.939 -11.371 1.142 4 HG11 VAL 86 HG11 VAL 86 -14.920 -9.307 3.088 5 HG12 VAL 86 HG12 VAL 86 -16.514 -10.061 3.146 6 HG13 VAL 86 HG13 VAL 86 -15.067 -11.041 3.371 7 HG21 VAL 86 HG21 VAL 86 -16.070 -9.524 -0.474 8 HG22 VAL 86 HG22 VAL 86 -17.157 -9.277 0.893 9 HG23 VAL 86 HG23 VAL 86 -15.641 -8.385 0.801 No H/Q in entry = 9 In of MODEL 25 1 H THR 87 H THR 87 -13.488 -9.028 -1.066 2 HA THR 87 HA THR 87 -14.715 -10.547 -3.107 3 HB THR 87 HB THR 87 -13.863 -8.839 -4.627 4 HG1 THR 87 HG1 THR 87 -11.817 -8.413 -3.909 5 HG21 THR 87 HG21 THR 87 -15.808 -8.310 -3.176 6 HG22 THR 87 HG22 THR 87 -14.696 -7.574 -2.020 7 HG23 THR 87 HG23 THR 87 -14.874 -6.882 -3.631 No H/Q in entry = 7 In of MODEL 25 1 H LEU 88 H LEU 88 -11.363 -9.969 -2.198 2 HA LEU 88 HA LEU 88 -10.302 -11.452 -4.404 3 HB2 LEU 88 HB2 LEU 88 -8.994 -10.461 -1.855 4 HB3 LEU 88 HB3 LEU 88 -8.131 -11.171 -3.206 5 HG LEU 88 HG LEU 88 -9.670 -8.572 -3.238 6 HD11 LEU 88 HD11 LEU 88 -7.518 -8.445 -2.056 7 HD12 LEU 88 HD12 LEU 88 -6.703 -9.101 -3.489 8 HD13 LEU 88 HD13 LEU 88 -7.502 -7.524 -3.570 9 HD21 LEU 88 HD21 LEU 88 -8.126 -9.938 -5.437 10 HD22 LEU 88 HD22 LEU 88 -9.874 -9.717 -5.369 11 HD23 LEU 88 HD23 LEU 88 -8.815 -8.315 -5.517 No H/Q in entry = 11 In of MODEL 25 1 H SER 89 H SER 89 -10.483 -13.597 -4.484 2 HA SER 89 HA SER 89 -11.249 -15.205 -2.312 3 HB2 SER 89 HB2 SER 89 -10.729 -17.110 -3.834 4 HB3 SER 89 HB3 SER 89 -11.723 -15.871 -4.590 5 HG SER 89 HG SER 89 -9.527 -16.823 -5.553 No H/Q in entry = 5 In of MODEL 25 1 H GLN 90 H GLN 90 -8.197 -14.037 -3.351 2 HA GLN 90 HA GLN 90 -6.939 -15.271 -1.024 3 HB2 GLN 90 HB2 GLN 90 -5.387 -14.826 -3.570 4 HB3 GLN 90 HB3 GLN 90 -4.956 -15.827 -2.197 5 HG2 GLN 90 HG2 GLN 90 -6.319 -17.580 -2.883 6 HG3 GLN 90 HG3 GLN 90 -7.280 -16.541 -3.945 7 HE21 GLN 90 HE21 GLN 90 -6.967 -17.791 -5.761 8 HE22 GLN 90 HE22 GLN 90 -5.435 -17.927 -6.559 No H/Q in entry = 8 In of MODEL 25 1 HA PRO 91 HA PRO 91 -6.174 -10.774 -0.347 2 HB2 PRO 91 HB2 PRO 91 -3.848 -12.168 0.979 3 HB3 PRO 91 HB3 PRO 91 -4.721 -10.700 1.485 4 HG2 PRO 91 HG2 PRO 91 -5.353 -12.964 2.635 5 HG3 PRO 91 HG3 PRO 91 -6.664 -11.911 2.027 6 HD2 PRO 91 HD2 PRO 91 -5.526 -14.445 0.849 7 HD3 PRO 91 HD3 PRO 91 -7.232 -13.899 0.881 No H/Q in entry = 7 In of MODEL 25 1 H LYS 92 H LYS 92 -4.988 -9.356 -1.415 2 HA LYS 92 HA LYS 92 -3.361 -10.468 -3.534 3 HB2 LYS 92 HB2 LYS 92 -5.248 -8.966 -4.078 4 HB3 LYS 92 HB3 LYS 92 -4.434 -7.668 -3.212 5 HG2 LYS 92 HG2 LYS 92 -4.025 -7.400 -5.542 6 HG3 LYS 92 HG3 LYS 92 -2.520 -7.911 -4.759 7 HD2 LYS 92 HD2 LYS 92 -2.611 -9.237 -6.656 8 HD3 LYS 92 HD3 LYS 92 -3.263 -10.276 -5.383 9 HE2 LYS 92 HE2 LYS 92 -5.491 -9.923 -6.118 10 HE3 LYS 92 HE3 LYS 92 -5.001 -8.621 -7.202 11 HZ1 LYS 92 HZ1 LYS 92 -4.079 -11.422 -7.515 12 HZ2 LYS 92 HZ2 LYS 92 -5.446 -10.806 -8.304 13 HZ3 LYS 92 HZ3 LYS 92 -3.913 -10.151 -8.623 No H/Q in entry = 13 In of MODEL 25 1 H ILE 93 H ILE 93 -1.263 -10.298 -3.614 2 HA ILE 93 HA ILE 93 0.054 -8.142 -2.106 3 HB ILE 93 HB ILE 93 1.223 -10.780 -2.992 4 HG12 ILE 93 HG12 ILE 93 1.710 -10.994 -0.494 5 HG13 ILE 93 HG13 ILE 93 0.596 -9.657 -0.259 6 HG21 ILE 93 HG21 ILE 93 2.849 -9.022 -3.288 7 HG22 ILE 93 HG22 ILE 93 2.577 -8.463 -1.637 8 HG23 ILE 93 HG23 ILE 93 3.303 -10.045 -1.922 9 HD11 ILE 93 HD11 ILE 93 -1.187 -10.995 -1.276 10 HD12 ILE 93 HD12 ILE 93 -0.055 -12.333 -1.466 11 HD13 ILE 93 HD13 ILE 93 -0.494 -11.773 0.146 No H/Q in entry = 11 In of MODEL 25 1 H VAL 94 H VAL 94 1.013 -6.641 -3.257 2 HA VAL 94 HA VAL 94 1.874 -7.281 -5.990 3 HB VAL 94 HB VAL 94 0.682 -4.653 -5.060 4 HG11 VAL 94 HG11 VAL 94 2.557 -4.307 -6.605 5 HG12 VAL 94 HG12 VAL 94 1.804 -5.408 -7.760 6 HG13 VAL 94 HG13 VAL 94 1.016 -3.884 -7.353 7 HG21 VAL 94 HG21 VAL 94 -0.989 -6.381 -5.502 8 HG22 VAL 94 HG22 VAL 94 -1.050 -5.114 -6.728 9 HG23 VAL 94 HG23 VAL 94 -0.286 -6.661 -7.095 No H/Q in entry = 9 In of MODEL 25 1 H LYS 95 H LYS 95 3.937 -6.918 -6.324 2 HA LYS 95 HA LYS 95 5.519 -5.982 -4.093 3 HB2 LYS 95 HB2 LYS 95 7.131 -7.297 -4.942 4 HB3 LYS 95 HB3 LYS 95 5.912 -7.886 -6.055 5 HG2 LYS 95 HG2 LYS 95 6.601 -6.307 -7.729 6 HG3 LYS 95 HG3 LYS 95 7.748 -5.580 -6.605 7 HD2 LYS 95 HD2 LYS 95 8.268 -8.341 -6.646 8 HD3 LYS 95 HD3 LYS 95 8.084 -7.837 -8.325 9 HE2 LYS 95 HE2 LYS 95 10.103 -6.962 -6.294 10 HE3 LYS 95 HE3 LYS 95 10.354 -7.557 -7.926 11 HZ1 LYS 95 HZ1 LYS 95 9.470 -5.488 -8.785 12 HZ2 LYS 95 HZ2 LYS 95 9.219 -4.912 -7.208 13 HZ3 LYS 95 HZ3 LYS 95 10.794 -5.206 -7.759 No H/Q in entry = 13 In of MODEL 25 1 H TRP 96 H TRP 96 6.886 -4.188 -4.148 2 HA TRP 96 HA TRP 96 5.981 -2.061 -5.882 3 HB2 TRP 96 HB2 TRP 96 6.419 -1.615 -3.495 4 HB3 TRP 96 HB3 TRP 96 8.101 -2.105 -3.694 5 HD1 TRP 96 HD1 TRP 96 5.710 0.577 -5.194 6 HE1 TRP 96 HE1 TRP 96 7.096 2.737 -5.510 7 HE3 TRP 96 HE3 TRP 96 10.296 -1.113 -3.654 8 HZ2 TRP 96 HZ2 TRP 96 9.737 3.601 -5.149 9 HZ3 TRP 96 HZ3 TRP 96 12.190 0.443 -3.640 10 HH2 TRP 96 HH2 TRP 96 11.912 2.780 -4.366 No H/Q in entry = 10 In of MODEL 25 1 H ASP 97 H ASP 97 7.028 -1.392 -7.677 2 HA ASP 97 HA ASP 97 9.730 -2.456 -8.133 3 HB2 ASP 97 HB2 ASP 97 9.199 -2.616 -10.555 4 HB3 ASP 97 HB3 ASP 97 8.221 -3.704 -9.574 No H/Q in entry = 4 In of MODEL 25 1 H ARG 98 H ARG 98 11.216 -1.126 -8.900 2 HA ARG 98 HA ARG 98 10.438 1.681 -9.236 3 HB2 ARG 98 HB2 ARG 98 12.901 2.116 -8.852 4 HB3 ARG 98 HB3 ARG 98 12.053 1.416 -7.494 5 HG2 ARG 98 HG2 ARG 98 13.285 -0.571 -9.241 6 HG3 ARG 98 HG3 ARG 98 14.433 0.547 -8.515 7 HD2 ARG 98 HD2 ARG 98 12.384 -0.835 -6.809 8 HD3 ARG 98 HD3 ARG 98 13.864 -1.667 -7.282 9 HE ARG 98 HE ARG 98 14.392 0.907 -6.165 10 HH11 ARG 98 HH11 ARG 98 13.514 -2.374 -5.244 11 HH12 ARG 98 HH12 ARG 98 14.508 -2.371 -3.822 12 HH21 ARG 98 HH21 ARG 98 15.691 0.907 -4.289 13 HH22 ARG 98 HH22 ARG 98 15.764 -0.513 -3.287 No H/Q in entry = 13 In of MODEL 25 1 H ASP 99 H ASP 99 12.347 -0.920 -10.713 2 HA ASP 99 HA ASP 99 12.093 0.484 -13.286 3 HB2 ASP 99 HB2 ASP 99 14.551 -1.088 -12.479 4 HB3 ASP 99 HB3 ASP 99 14.336 -0.128 -13.936 No H/Q in entry = 4 In of MODEL 25 1 H MET 100 H MET 100 11.683 -2.245 -11.424 2 HA MET 100 HA MET 100 12.061 -4.247 -13.449 3 HB2 MET 100 HB2 MET 100 10.728 -4.507 -10.747 4 HB3 MET 100 HB3 MET 100 11.373 -5.807 -11.738 5 HG2 MET 100 HG2 MET 100 13.602 -5.119 -11.357 6 HG3 MET 100 HG3 MET 100 13.076 -3.598 -10.629 7 HE1 MET 100 HE1 MET 100 15.207 -5.595 -9.293 8 HE2 MET 100 HE2 MET 100 14.711 -4.070 -8.559 9 HE3 MET 100 HE3 MET 100 14.672 -5.557 -7.613 No H/Q in entry = 9 In of MODEL 26 1 HA ILE 2 HA ILE 2 -22.440 -3.366 -3.842 2 HB ILE 2 HB ILE 2 -22.827 -4.546 -1.658 3 HG12 ILE 2 HG12 ILE 2 -23.036 -7.019 -3.400 4 HG13 ILE 2 HG13 ILE 2 -21.762 -6.716 -2.219 5 HG21 ILE 2 HG21 ILE 2 -24.665 -3.674 -2.988 6 HG22 ILE 2 HG22 ILE 2 -24.749 -5.188 -3.890 7 HG23 ILE 2 HG23 ILE 2 -25.141 -5.163 -2.170 8 HD11 ILE 2 HD11 ILE 2 -24.691 -7.026 -1.605 9 HD12 ILE 2 HD12 ILE 2 -23.437 -8.240 -1.352 10 HD13 ILE 2 HD13 ILE 2 -23.408 -6.738 -0.430 No H/Q in entry = 10 In of MODEL 26 1 H GLN 3 H GLN 3 -20.391 -6.285 -3.779 2 HA GLN 3 HA GLN 3 -18.380 -4.720 -2.303 3 HB2 GLN 3 HB2 GLN 3 -19.359 -7.328 -1.867 4 HB3 GLN 3 HB3 GLN 3 -17.740 -7.506 -2.531 5 HG2 GLN 3 HG2 GLN 3 -17.476 -7.467 -0.188 6 HG3 GLN 3 HG3 GLN 3 -16.958 -5.886 -0.771 7 HE21 GLN 3 HE21 GLN 3 -19.407 -7.632 0.968 8 HE22 GLN 3 HE22 GLN 3 -20.199 -6.248 1.649 No H/Q in entry = 8 In of MODEL 26 1 H ARG 4 H ARG 4 -18.376 -4.066 -4.910 2 HA ARG 4 HA ARG 4 -16.665 -5.231 -6.570 3 HB2 ARG 4 HB2 ARG 4 -17.336 -3.138 -7.277 4 HB3 ARG 4 HB3 ARG 4 -16.999 -2.380 -5.730 5 HG2 ARG 4 HG2 ARG 4 -15.361 -1.423 -6.937 6 HG3 ARG 4 HG3 ARG 4 -14.456 -2.840 -6.461 7 HD2 ARG 4 HD2 ARG 4 -15.737 -2.159 -9.098 8 HD3 ARG 4 HD3 ARG 4 -14.064 -2.605 -8.769 9 HE ARG 4 HE ARG 4 -15.524 -4.832 -8.134 10 HH11 ARG 4 HH11 ARG 4 -15.176 -2.804 -10.964 11 HH12 ARG 4 HH12 ARG 4 -15.525 -4.087 -12.082 12 HH21 ARG 4 HH21 ARG 4 -15.986 -6.538 -9.612 13 HH22 ARG 4 HH22 ARG 4 -15.987 -6.194 -11.319 No H/Q in entry = 13 In of MODEL 26 1 H THR 5 H THR 5 -14.391 -5.146 -6.965 2 HA THR 5 HA THR 5 -13.010 -6.096 -4.630 3 HB THR 5 HB THR 5 -11.325 -6.905 -6.228 4 HG1 THR 5 HG1 THR 5 -11.291 -5.305 -7.793 5 HG21 THR 5 HG21 THR 5 -14.214 -7.437 -6.738 6 HG22 THR 5 HG22 THR 5 -13.020 -8.102 -7.853 7 HG23 THR 5 HG23 THR 5 -12.948 -8.511 -6.146 No H/Q in entry = 7 In of MODEL 26 1 HA PRO 6 HA PRO 6 -10.580 -2.303 -4.295 2 HB2 PRO 6 HB2 PRO 6 -8.895 -3.702 -2.385 3 HB3 PRO 6 HB3 PRO 6 -10.001 -2.358 -2.101 4 HG2 PRO 6 HG2 PRO 6 -10.418 -4.908 -1.171 5 HG3 PRO 6 HG3 PRO 6 -11.716 -3.726 -1.469 6 HD2 PRO 6 HD2 PRO 6 -10.829 -6.057 -3.139 7 HD3 PRO 6 HD3 PRO 6 -12.460 -5.389 -2.889 No H/Q in entry = 7 In of MODEL 26 1 H LYS 7 H LYS 7 -8.855 -1.738 -5.497 2 HA LYS 7 HA LYS 7 -7.180 -3.920 -6.532 3 HB2 LYS 7 HB2 LYS 7 -8.491 -2.781 -8.261 4 HB3 LYS 7 HB3 LYS 7 -7.850 -1.225 -7.754 5 HG2 LYS 7 HG2 LYS 7 -5.603 -1.943 -8.429 6 HG3 LYS 7 HG3 LYS 7 -6.272 -3.485 -8.968 7 HD2 LYS 7 HD2 LYS 7 -7.188 -0.819 -10.028 8 HD3 LYS 7 HD3 LYS 7 -5.900 -1.766 -10.775 9 HE2 LYS 7 HE2 LYS 7 -7.449 -3.618 -11.122 10 HE3 LYS 7 HE3 LYS 7 -8.737 -2.703 -10.336 11 HZ1 LYS 7 HZ1 LYS 7 -7.320 -1.738 -12.754 12 HZ2 LYS 7 HZ2 LYS 7 -8.740 -2.666 -12.829 13 HZ3 LYS 7 HZ3 LYS 7 -8.762 -1.141 -12.086 No H/Q in entry = 13 In of MODEL 26 1 H ILE 8 H ILE 8 -4.925 -3.473 -6.848 2 HA ILE 8 HA ILE 8 -3.923 -1.924 -4.586 3 HB ILE 8 HB ILE 8 -2.188 -3.676 -6.281 4 HG12 ILE 8 HG12 ILE 8 -4.100 -5.090 -5.863 5 HG13 ILE 8 HG13 ILE 8 -2.792 -5.594 -4.805 6 HG21 ILE 8 HG21 ILE 8 -1.173 -2.313 -4.528 7 HG22 ILE 8 HG22 ILE 8 -2.235 -3.053 -3.328 8 HG23 ILE 8 HG23 ILE 8 -1.026 -4.033 -4.162 9 HD11 ILE 8 HD11 ILE 8 -3.822 -4.343 -2.971 10 HD12 ILE 8 HD12 ILE 8 -5.159 -3.917 -4.039 11 HD13 ILE 8 HD13 ILE 8 -4.873 -5.609 -3.613 No H/Q in entry = 11 In of MODEL 26 1 H GLN 9 H GLN 9 -2.919 -0.068 -4.837 2 HA GLN 9 HA GLN 9 -1.224 0.264 -7.205 3 HB2 GLN 9 HB2 GLN 9 -2.256 2.859 -6.281 4 HB3 GLN 9 HB3 GLN 9 -2.255 2.261 -7.941 5 HG2 GLN 9 HG2 GLN 9 -4.286 1.094 -7.627 6 HG3 GLN 9 HG3 GLN 9 -4.304 1.425 -5.900 7 HE21 GLN 9 HE21 GLN 9 -4.740 2.767 -9.083 8 HE22 GLN 9 HE22 GLN 9 -5.546 4.217 -8.585 No H/Q in entry = 8 In of MODEL 26 1 H VAL 10 H VAL 10 0.772 0.485 -6.495 2 HA VAL 10 HA VAL 10 1.319 1.932 -4.010 3 HB VAL 10 HB VAL 10 1.461 -0.245 -3.149 4 HG11 VAL 10 HG11 VAL 10 1.261 -1.437 -5.281 5 HG12 VAL 10 HG12 VAL 10 2.971 -1.142 -5.595 6 HG13 VAL 10 HG13 VAL 10 2.486 -2.144 -4.221 7 HG21 VAL 10 HG21 VAL 10 4.244 0.492 -4.049 8 HG22 VAL 10 HG22 VAL 10 3.450 0.956 -2.541 9 HG23 VAL 10 HG23 VAL 10 3.875 -0.733 -2.834 No H/Q in entry = 9 In of MODEL 26 1 H TYR 11 H TYR 11 3.039 3.223 -4.049 2 HA TYR 11 HA TYR 11 5.083 3.042 -6.056 3 HB2 TYR 11 HB2 TYR 11 4.607 5.191 -7.139 4 HB3 TYR 11 HB3 TYR 11 3.266 4.078 -7.358 5 HD1 TYR 11 HD1 TYR 11 4.385 7.110 -5.578 6 HD2 TYR 11 HD2 TYR 11 1.095 4.579 -6.490 7 HE1 TYR 11 HE1 TYR 11 2.842 8.818 -4.720 8 HE2 TYR 11 HE2 TYR 11 -0.460 6.277 -5.627 9 HH TYR 11 HH TYR 11 -0.529 8.182 -4.237 No H/Q in entry = 9 In of MODEL 26 1 H SER 12 H SER 12 6.601 4.943 -5.872 2 HA SER 12 HA SER 12 7.061 5.552 -3.081 3 HB2 SER 12 HB2 SER 12 9.021 6.870 -4.454 4 HB3 SER 12 HB3 SER 12 9.120 5.138 -4.091 5 HG SER 12 HG SER 12 8.596 6.448 -6.493 No H/Q in entry = 5 In of MODEL 26 1 H ARG 13 H ARG 13 6.650 7.460 -2.084 2 HA ARG 13 HA ARG 13 4.903 9.364 -3.232 3 HB2 ARG 13 HB2 ARG 13 5.679 8.806 -0.715 4 HB3 ARG 13 HB3 ARG 13 6.702 10.200 -1.004 5 HG2 ARG 13 HG2 ARG 13 3.713 10.038 -0.866 6 HG3 ARG 13 HG3 ARG 13 4.806 11.080 0.034 7 HD2 ARG 13 HD2 ARG 13 4.537 12.705 -1.484 8 HD3 ARG 13 HD3 ARG 13 5.057 11.604 -2.764 9 HE ARG 13 HE ARG 13 2.280 11.530 -1.823 10 HH11 ARG 13 HH11 ARG 13 4.608 12.130 -4.371 11 HH12 ARG 13 HH12 ARG 13 3.397 12.282 -5.614 12 HH21 ARG 13 HH21 ARG 13 0.693 11.710 -3.446 13 HH22 ARG 13 HH22 ARG 13 1.174 12.030 -5.084 No H/Q in entry = 13 In of MODEL 26 1 H HIS 14 H HIS 14 8.371 9.496 -2.608 2 HA HIS 14 HA HIS 14 8.621 11.603 -4.623 3 HB2 HIS 14 HB2 HIS 14 9.657 11.632 -1.805 4 HB3 HIS 14 HB3 HIS 14 10.583 12.454 -3.057 5 HD2 HIS 14 HD2 HIS 14 7.254 13.206 -4.265 6 HE1 HIS 14 HE1 HIS 14 7.831 16.010 -1.150 7 HE2 HIS 14 HE2 HIS 14 6.580 15.514 -3.300 No H/Q in entry = 7 In of MODEL 26 1 HA PRO 15 HA PRO 15 12.077 9.567 -6.534 2 HB2 PRO 15 HB2 PRO 15 14.406 10.788 -5.456 3 HB3 PRO 15 HB3 PRO 15 13.616 11.146 -7.003 4 HG2 PRO 15 HG2 PRO 15 13.414 12.598 -4.389 5 HG3 PRO 15 HG3 PRO 15 13.227 13.211 -6.066 6 HD2 PRO 15 HD2 PRO 15 11.107 12.850 -4.420 7 HD3 PRO 15 HD3 PRO 15 10.993 12.568 -6.183 No H/Q in entry = 7 In of MODEL 26 1 H ALA 16 H ALA 16 12.591 7.580 -6.041 2 HA ALA 16 HA ALA 16 13.189 6.815 -3.316 3 HB1 ALA 16 HB1 ALA 16 11.565 5.525 -4.639 4 HB2 ALA 16 HB2 ALA 16 12.841 5.114 -5.785 5 HB3 ALA 16 HB3 ALA 16 12.930 4.536 -4.122 No H/Q in entry = 5 In of MODEL 26 1 H GLU 17 H GLU 17 15.219 6.479 -2.614 2 HA GLU 17 HA GLU 17 17.299 5.924 -4.593 3 HB2 GLU 17 HB2 GLU 17 17.486 8.242 -3.988 4 HB3 GLU 17 HB3 GLU 17 17.360 7.856 -2.275 5 HG2 GLU 17 HG2 GLU 17 19.501 6.883 -2.246 6 HG3 GLU 17 HG3 GLU 17 19.597 6.872 -3.981 No H/Q in entry = 6 In of MODEL 26 1 H ASN 18 H ASN 18 18.570 4.248 -4.119 2 HA ASN 18 HA ASN 18 18.048 2.669 -1.782 3 HB2 ASN 18 HB2 ASN 18 18.435 1.307 -3.582 4 HB3 ASN 18 HB3 ASN 18 19.676 2.355 -4.265 5 HD21 ASN 18 HD21 ASN 18 21.097 0.700 -4.614 6 HD22 ASN 18 HD22 ASN 18 21.911 -0.136 -3.338 No H/Q in entry = 6 In of MODEL 26 1 H GLY 19 H GLY 19 19.059 2.586 0.036 2 HA2 GLY 19 HA2 GLY 19 21.739 3.669 0.423 3 HA3 GLY 19 HA3 GLY 19 20.713 2.928 1.663 No H/Q in entry = 3 In of MODEL 26 1 H LYS 20 H LYS 20 18.477 4.645 0.668 2 HA LYS 20 HA LYS 20 19.171 7.136 2.054 3 HB2 LYS 20 HB2 LYS 20 19.311 7.137 -0.584 4 HB3 LYS 20 HB3 LYS 20 17.562 7.181 -0.472 5 HG2 LYS 20 HG2 LYS 20 18.149 9.399 -0.706 6 HG3 LYS 20 HG3 LYS 20 17.892 9.229 1.031 7 HD2 LYS 20 HD2 LYS 20 20.300 9.029 1.375 8 HD3 LYS 20 HD3 LYS 20 20.573 9.118 -0.357 9 HE2 LYS 20 HE2 LYS 20 19.265 11.318 1.247 10 HE3 LYS 20 HE3 LYS 20 20.989 11.259 0.877 11 HZ1 LYS 20 HZ1 LYS 20 18.871 11.223 -1.201 12 HZ2 LYS 20 HZ2 LYS 20 19.644 12.637 -0.678 13 HZ3 LYS 20 HZ3 LYS 20 20.534 11.411 -1.436 No H/Q in entry = 13 In of MODEL 26 1 H SER 21 H SER 21 17.425 8.079 3.079 2 HA SER 21 HA SER 21 15.191 6.464 3.676 3 HB2 SER 21 HB2 SER 21 14.425 8.445 4.912 4 HB3 SER 21 HB3 SER 21 16.140 8.148 5.194 5 HG SER 21 HG SER 21 15.370 9.863 3.115 No H/Q in entry = 5 In of MODEL 26 1 H ASN 22 H ASN 22 13.161 6.498 2.898 2 HA ASN 22 HA ASN 22 12.409 8.447 0.832 3 HB2 ASN 22 HB2 ASN 22 13.419 6.223 -0.167 4 HB3 ASN 22 HB3 ASN 22 11.950 5.480 0.442 5 HD21 ASN 22 HD21 ASN 22 11.980 8.763 -0.872 6 HD22 ASN 22 HD22 ASN 22 11.092 8.358 -2.305 No H/Q in entry = 6 In of MODEL 26 1 H PHE 23 H PHE 23 9.958 7.907 0.233 2 HA PHE 23 HA PHE 23 8.553 7.074 2.680 3 HB2 PHE 23 HB2 PHE 23 7.992 9.455 0.912 4 HB3 PHE 23 HB3 PHE 23 6.795 8.790 2.012 5 HD1 PHE 23 HD1 PHE 23 6.608 9.687 4.094 6 HD2 PHE 23 HD2 PHE 23 10.312 10.060 2.030 7 HE1 PHE 23 HE1 PHE 23 7.467 11.108 5.905 8 HE2 PHE 23 HE2 PHE 23 11.183 11.477 3.845 9 HZ PHE 23 HZ PHE 23 9.761 11.992 5.793 No H/Q in entry = 9 In of MODEL 26 1 H LEU 24 H LEU 24 7.096 5.508 2.329 2 HA LEU 24 HA LEU 24 6.580 4.677 -0.435 3 HB2 LEU 24 HB2 LEU 24 7.040 3.331 1.954 4 HB3 LEU 24 HB3 LEU 24 5.338 3.084 1.649 5 HG LEU 24 HG LEU 24 7.662 2.252 -0.102 6 HD11 LEU 24 HD11 LEU 24 7.214 0.798 1.809 7 HD12 LEU 24 HD12 LEU 24 5.521 0.681 1.334 8 HD13 LEU 24 HD13 LEU 24 6.773 -0.003 0.300 9 HD21 LEU 24 HD21 LEU 24 4.716 2.169 -0.706 10 HD22 LEU 24 HD22 LEU 24 5.997 2.943 -1.643 11 HD23 LEU 24 HD23 LEU 24 5.922 1.182 -1.538 No H/Q in entry = 11 In of MODEL 26 1 H ASN 25 H ASN 25 4.496 4.346 -1.188 2 HA ASN 25 HA ASN 25 2.296 5.352 0.471 3 HB2 ASN 25 HB2 ASN 25 3.015 6.294 -2.296 4 HB3 ASN 25 HB3 ASN 25 1.336 6.303 -1.773 5 HD21 ASN 25 HD21 ASN 25 1.153 8.492 -1.879 6 HD22 ASN 25 HD22 ASN 25 1.905 9.548 -0.737 No H/Q in entry = 6 In of MODEL 26 1 H CYS 26 H CYS 26 0.694 3.915 0.572 2 HA CYS 26 HA CYS 26 0.305 2.085 -1.700 3 HB2 CYS 26 HB2 CYS 26 1.333 1.141 0.523 4 HB3 CYS 26 HB3 CYS 26 -0.329 1.261 1.112 No H/Q in entry = 4 In of MODEL 26 1 H TYR 27 H TYR 27 -1.646 2.323 -2.560 2 HA TYR 27 HA TYR 27 -3.723 3.666 -0.952 3 HB2 TYR 27 HB2 TYR 27 -2.750 4.190 -3.729 4 HB3 TYR 27 HB3 TYR 27 -4.459 4.410 -3.397 5 HD1 TYR 27 HD1 TYR 27 -5.208 6.212 -1.877 6 HD2 TYR 27 HD2 TYR 27 -1.090 5.764 -2.894 7 HE1 TYR 27 HE1 TYR 27 -4.784 8.526 -1.183 8 HE2 TYR 27 HE2 TYR 27 -0.665 8.074 -2.182 9 HH TYR 27 HH TYR 27 -2.954 9.916 -0.421 No H/Q in entry = 9 In of MODEL 26 1 H VAL 28 H VAL 28 -5.313 2.266 -0.583 2 HA VAL 28 HA VAL 28 -6.066 0.442 -2.774 3 HB VAL 28 HB VAL 28 -6.671 -0.169 0.108 4 HG11 VAL 28 HG11 VAL 28 -6.357 -1.852 -2.367 5 HG12 VAL 28 HG12 VAL 28 -6.709 -2.476 -0.757 6 HG13 VAL 28 HG13 VAL 28 -7.869 -1.428 -1.568 7 HG21 VAL 28 HG21 VAL 28 -4.123 -0.813 -1.368 8 HG22 VAL 28 HG22 VAL 28 -4.299 0.049 0.166 9 HG23 VAL 28 HG23 VAL 28 -4.663 -1.676 0.077 No H/Q in entry = 9 In of MODEL 26 1 H SER 29 H SER 29 -7.951 1.083 -3.652 2 HA SER 29 HA SER 29 -10.154 1.876 -1.946 3 HB2 SER 29 HB2 SER 29 -8.827 3.973 -2.374 4 HB3 SER 29 HB3 SER 29 -9.175 3.775 -4.090 5 HG SER 29 HG SER 29 -10.940 4.376 -1.968 No H/Q in entry = 5 In of MODEL 26 1 H GLY 30 H GLY 30 -12.023 2.674 -3.603 2 HA2 GLY 30 HA2 GLY 30 -12.023 0.990 -5.997 3 HA3 GLY 30 HA3 GLY 30 -13.196 2.244 -5.607 No H/Q in entry = 3 In of MODEL 26 1 H PHE 31 H PHE 31 -13.183 0.944 -2.790 2 HA PHE 31 HA PHE 31 -14.797 -1.428 -3.475 3 HB2 PHE 31 HB2 PHE 31 -13.788 -2.586 -1.569 4 HB3 PHE 31 HB3 PHE 31 -12.517 -1.999 -2.660 5 HD1 PHE 31 HD1 PHE 31 -11.101 -0.126 -2.036 6 HD2 PHE 31 HD2 PHE 31 -14.040 -1.632 0.643 7 HE1 PHE 31 HE1 PHE 31 -10.049 1.106 -0.190 8 HE2 PHE 31 HE2 PHE 31 -12.982 -0.409 2.496 9 HZ PHE 31 HZ PHE 31 -10.988 0.968 2.076 No H/Q in entry = 9 In of MODEL 26 1 H HIS 32 H HIS 32 -15.772 -2.267 -1.283 2 HA HIS 32 HA HIS 32 -16.655 -0.177 0.538 3 HB2 HIS 32 HB2 HIS 32 -18.700 -1.868 -0.992 4 HB3 HIS 32 HB3 HIS 32 -19.053 -0.924 0.443 5 HD2 HIS 32 HD2 HIS 32 -18.481 1.934 0.042 6 HE1 HIS 32 HE1 HIS 32 -19.508 1.587 -4.047 7 HE2 HIS 32 HE2 HIS 32 -19.295 3.172 -2.082 No H/Q in entry = 7 In of MODEL 26 1 HA PRO 33 HA PRO 33 -19.075 -0.912 2.093 2 HB2 PRO 33 HB2 PRO 33 -18.108 -1.092 4.883 3 HB3 PRO 33 HB3 PRO 33 -19.748 -1.243 4.247 4 HG2 PRO 33 HG2 PRO 33 -18.402 -3.379 5.104 5 HG3 PRO 33 HG3 PRO 33 -19.463 -3.472 3.684 6 HD2 PRO 33 HD2 PRO 33 -16.476 -3.286 3.817 7 HD3 PRO 33 HD3 PRO 33 -17.498 -4.259 2.736 No H/Q in entry = 7 In of MODEL 26 1 H SER 34 H SER 34 -16.223 -0.485 4.314 2 HA SER 34 HA SER 34 -15.557 1.998 3.050 3 HB2 SER 34 HB2 SER 34 -15.905 3.287 5.188 4 HB3 SER 34 HB3 SER 34 -17.410 2.735 4.452 5 HG SER 34 HG SER 34 -16.048 1.354 6.540 No H/Q in entry = 5 In of MODEL 26 1 H ASP 35 H ASP 35 -14.577 -0.733 4.041 2 HA ASP 35 HA ASP 35 -12.218 0.167 5.538 3 HB2 ASP 35 HB2 ASP 35 -14.079 -2.015 6.504 4 HB3 ASP 35 HB3 ASP 35 -12.503 -1.661 7.201 No H/Q in entry = 4 In of MODEL 26 1 H ILE 36 H ILE 36 -10.408 -0.892 5.054 2 HA ILE 36 HA ILE 36 -10.491 -3.688 4.289 3 HB ILE 36 HB ILE 36 -10.476 -2.285 2.123 4 HG12 ILE 36 HG12 ILE 36 -8.483 -4.412 2.843 5 HG13 ILE 36 HG13 ILE 36 -9.910 -4.534 1.826 6 HG21 ILE 36 HG21 ILE 36 -7.672 -1.758 3.104 7 HG22 ILE 36 HG22 ILE 36 -8.239 -1.436 1.463 8 HG23 ILE 36 HG23 ILE 36 -8.927 -0.551 2.823 9 HD11 ILE 36 HD11 ILE 36 -7.349 -3.131 1.092 10 HD12 ILE 36 HD12 ILE 36 -7.851 -4.726 0.533 11 HD13 ILE 36 HD13 ILE 36 -8.769 -3.297 0.059 No H/Q in entry = 11 In of MODEL 26 1 H GLU 37 H GLU 37 -8.411 -4.737 4.629 2 HA GLU 37 HA GLU 37 -6.613 -3.165 6.325 3 HB2 GLU 37 HB2 GLU 37 -7.824 -5.289 7.194 4 HB3 GLU 37 HB3 GLU 37 -6.705 -6.158 6.154 5 HG2 GLU 37 HG2 GLU 37 -5.831 -6.147 8.388 6 HG3 GLU 37 HG3 GLU 37 -4.815 -5.108 7.384 No H/Q in entry = 6 In of MODEL 26 1 H VAL 38 H VAL 38 -4.761 -2.660 5.406 2 HA VAL 38 HA VAL 38 -3.597 -4.502 3.467 3 HB VAL 38 HB VAL 38 -3.974 -3.083 1.802 4 HG11 VAL 38 HG11 VAL 38 -4.560 -0.978 3.853 5 HG12 VAL 38 HG12 VAL 38 -4.757 -0.761 2.112 6 HG13 VAL 38 HG13 VAL 38 -5.711 -1.977 2.962 7 HG21 VAL 38 HG21 VAL 38 -1.962 -1.344 3.223 8 HG22 VAL 38 HG22 VAL 38 -1.628 -2.581 2.013 9 HG23 VAL 38 HG23 VAL 38 -2.485 -1.104 1.552 No H/Q in entry = 9 In of MODEL 26 1 H ASP 39 H ASP 39 -1.509 -4.820 3.615 2 HA ASP 39 HA ASP 39 -0.052 -3.405 5.745 3 HB2 ASP 39 HB2 ASP 39 0.066 -5.242 7.023 4 HB3 ASP 39 HB3 ASP 39 -1.051 -6.024 5.923 No H/Q in entry = 4 In of MODEL 26 1 H LEU 40 H LEU 40 2.201 -3.277 5.495 2 HA LEU 40 HA LEU 40 3.020 -3.591 2.699 3 HB2 LEU 40 HB2 LEU 40 4.466 -1.994 4.805 4 HB3 LEU 40 HB3 LEU 40 4.655 -1.905 3.066 5 HG LEU 40 HG LEU 40 2.276 -0.938 4.654 6 HD11 LEU 40 HD11 LEU 40 4.239 0.489 4.859 7 HD12 LEU 40 HD12 LEU 40 4.389 0.552 3.101 8 HD13 LEU 40 HD13 LEU 40 2.990 1.276 3.894 9 HD21 LEU 40 HD21 LEU 40 2.768 -0.915 1.687 10 HD22 LEU 40 HD22 LEU 40 1.479 -1.758 2.548 11 HD23 LEU 40 HD23 LEU 40 1.504 0.008 2.506 No H/Q in entry = 11 In of MODEL 26 1 H LEU 41 H LEU 41 4.829 -4.718 2.154 2 HA LEU 41 HA LEU 41 5.806 -6.500 4.282 3 HB2 LEU 41 HB2 LEU 41 5.834 -7.216 1.389 4 HB3 LEU 41 HB3 LEU 41 5.910 -8.257 2.773 5 HG LEU 41 HG LEU 41 3.451 -6.756 1.917 6 HD11 LEU 41 HD11 LEU 41 4.102 -8.475 0.314 7 HD12 LEU 41 HD12 LEU 41 4.193 -9.662 1.614 8 HD13 LEU 41 HD13 LEU 41 2.645 -8.942 1.185 9 HD21 LEU 41 HD21 LEU 41 3.880 -8.880 4.015 10 HD22 LEU 41 HD22 LEU 41 3.538 -7.176 4.314 11 HD23 LEU 41 HD23 LEU 41 2.326 -8.196 3.541 No H/Q in entry = 11 In of MODEL 26 1 H LYS 42 H LYS 42 7.683 -7.765 3.389 2 HA LYS 42 HA LYS 42 9.742 -6.289 2.037 3 HB2 LYS 42 HB2 LYS 42 9.860 -6.771 4.983 4 HB3 LYS 42 HB3 LYS 42 11.342 -6.821 4.039 5 HG2 LYS 42 HG2 LYS 42 11.085 -4.546 3.372 6 HG3 LYS 42 HG3 LYS 42 9.442 -4.479 4.031 7 HD2 LYS 42 HD2 LYS 42 10.188 -4.221 6.177 8 HD3 LYS 42 HD3 LYS 42 11.540 -5.326 5.937 9 HE2 LYS 42 HE2 LYS 42 11.464 -2.510 4.882 10 HE3 LYS 42 HE3 LYS 42 12.195 -2.971 6.418 11 HZ1 LYS 42 HZ1 LYS 42 13.578 -4.578 5.072 12 HZ2 LYS 42 HZ2 LYS 42 13.047 -3.752 3.686 13 HZ3 LYS 42 HZ3 LYS 42 13.937 -2.935 4.873 No H/Q in entry = 13 In of MODEL 26 1 H ASN 43 H ASN 43 10.117 -7.882 0.600 2 HA ASN 43 HA ASN 43 10.589 -9.900 -0.318 3 HB2 ASN 43 HB2 ASN 43 11.831 -10.205 2.380 4 HB3 ASN 43 HB3 ASN 43 11.728 -11.611 1.325 5 HD21 ASN 43 HD21 ASN 43 13.127 -8.449 1.766 6 HD22 ASN 43 HD22 ASN 43 14.327 -8.598 0.530 No H/Q in entry = 6 In of MODEL 26 1 H GLY 44 H GLY 44 8.492 -9.668 2.280 2 HA2 GLY 44 HA2 GLY 44 7.415 -12.360 1.947 3 HA3 GLY 44 HA3 GLY 44 6.386 -11.010 1.432 No H/Q in entry = 3 In of MODEL 26 1 H GLU 45 H GLU 45 8.261 -9.927 3.950 2 HA GLU 45 HA GLU 45 6.557 -11.039 6.048 3 HB2 GLU 45 HB2 GLU 45 9.166 -9.549 6.208 4 HB3 GLU 45 HB3 GLU 45 8.321 -10.273 7.572 5 HG2 GLU 45 HG2 GLU 45 8.575 -12.477 6.468 6 HG3 GLU 45 HG3 GLU 45 9.538 -11.691 5.219 No H/Q in entry = 6 In of MODEL 26 1 H ARG 46 H ARG 46 5.381 -9.798 7.413 2 HA ARG 46 HA ARG 46 4.424 -7.302 6.536 3 HB2 ARG 46 HB2 ARG 46 3.046 -8.841 7.791 4 HB3 ARG 46 HB3 ARG 46 4.144 -8.773 9.153 5 HG2 ARG 46 HG2 ARG 46 3.432 -6.684 9.770 6 HG3 ARG 46 HG3 ARG 46 2.764 -6.329 8.164 7 HD2 ARG 46 HD2 ARG 46 1.667 -8.350 10.133 8 HD3 ARG 46 HD3 ARG 46 0.896 -6.851 9.637 9 HE ARG 46 HE ARG 46 1.254 -8.156 7.301 10 HH11 ARG 46 HH11 ARG 46 -0.300 -8.950 10.343 11 HH12 ARG 46 HH12 ARG 46 -1.480 -9.999 9.615 12 HH21 ARG 46 HH21 ARG 46 -0.303 -9.503 6.339 13 HH22 ARG 46 HH22 ARG 46 -1.481 -10.320 7.332 No H/Q in entry = 13 In of MODEL 26 1 H ILE 47 H ILE 47 4.937 -5.275 7.044 2 HA ILE 47 HA ILE 47 7.186 -4.753 8.839 3 HB ILE 47 HB ILE 47 5.703 -2.891 6.972 4 HG12 ILE 47 HG12 ILE 47 8.431 -4.116 6.622 5 HG13 ILE 47 HG13 ILE 47 6.975 -4.769 5.876 6 HG21 ILE 47 HG21 ILE 47 8.273 -2.518 8.507 7 HG22 ILE 47 HG22 ILE 47 7.629 -1.391 7.312 8 HG23 ILE 47 HG23 ILE 47 6.740 -1.694 8.808 9 HD11 ILE 47 HD11 ILE 47 8.100 -2.016 5.423 10 HD12 ILE 47 HD12 ILE 47 8.237 -3.388 4.321 11 HD13 ILE 47 HD13 ILE 47 6.655 -2.684 4.664 No H/Q in entry = 11 In of MODEL 26 1 H GLU 48 H GLU 48 6.981 -3.563 10.699 2 HA GLU 48 HA GLU 48 4.279 -3.199 11.685 3 HB2 GLU 48 HB2 GLU 48 5.806 -2.446 13.765 4 HB3 GLU 48 HB3 GLU 48 5.359 -4.116 13.451 5 HG2 GLU 48 HG2 GLU 48 7.913 -2.883 12.481 6 HG3 GLU 48 HG3 GLU 48 7.760 -3.660 14.047 No H/Q in entry = 6 In of MODEL 26 1 H LYS 49 H LYS 49 7.173 -1.218 11.087 2 HA LYS 49 HA LYS 49 6.309 1.161 12.143 3 HB2 LYS 49 HB2 LYS 49 8.047 0.707 9.750 4 HB3 LYS 49 HB3 LYS 49 7.964 2.210 10.680 5 HG2 LYS 49 HG2 LYS 49 8.565 0.839 12.707 6 HG3 LYS 49 HG3 LYS 49 8.960 -0.459 11.605 7 HD2 LYS 49 HD2 LYS 49 10.517 1.288 10.457 8 HD3 LYS 49 HD3 LYS 49 10.314 2.199 11.949 9 HE2 LYS 49 HE2 LYS 49 12.344 0.892 12.034 10 HE3 LYS 49 HE3 LYS 49 11.190 0.267 13.212 11 HZ1 LYS 49 HZ1 LYS 49 11.608 -0.883 10.504 12 HZ2 LYS 49 HZ2 LYS 49 12.336 -1.471 11.918 13 HZ3 LYS 49 HZ3 LYS 49 10.651 -1.527 11.744 No H/Q in entry = 13 In of MODEL 26 1 H VAL 50 H VAL 50 4.758 -0.407 9.701 2 HA VAL 50 HA VAL 50 4.033 1.698 7.973 3 HB VAL 50 HB VAL 50 2.466 -0.773 8.702 4 HG11 VAL 50 HG11 VAL 50 1.138 1.003 7.602 5 HG12 VAL 50 HG12 VAL 50 2.277 0.978 6.252 6 HG13 VAL 50 HG13 VAL 50 1.303 -0.448 6.606 7 HG21 VAL 50 HG21 VAL 50 4.724 -1.265 7.896 8 HG22 VAL 50 HG22 VAL 50 3.496 -1.772 6.742 9 HG23 VAL 50 HG23 VAL 50 4.414 -0.298 6.455 No H/Q in entry = 9 In of MODEL 26 1 H GLU 51 H GLU 51 2.468 3.204 8.072 2 HA GLU 51 HA GLU 51 0.636 3.145 10.363 3 HB2 GLU 51 HB2 GLU 51 2.067 5.616 9.369 4 HB3 GLU 51 HB3 GLU 51 0.905 5.538 10.690 5 HG2 GLU 51 HG2 GLU 51 2.402 4.284 12.035 6 HG3 GLU 51 HG3 GLU 51 3.537 4.094 10.696 No H/Q in entry = 6 In of MODEL 26 1 H HIS 52 H HIS 52 -1.365 3.848 9.952 2 HA HIS 52 HA HIS 52 -1.944 4.841 7.249 3 HB2 HIS 52 HB2 HIS 52 -4.287 4.114 7.632 4 HB3 HIS 52 HB3 HIS 52 -3.135 2.788 7.643 5 HD2 HIS 52 HD2 HIS 52 -2.501 1.913 10.394 6 HE1 HIS 52 HE1 HIS 52 -6.283 3.219 11.761 7 HE2 HIS 52 HE2 HIS 52 -4.364 1.624 12.179 No H/Q in entry = 7 In of MODEL 26 1 H SER 53 H SER 53 -2.689 6.835 7.021 2 HA SER 53 HA SER 53 -2.910 8.521 9.344 3 HB2 SER 53 HB2 SER 53 -1.889 9.197 7.103 4 HB3 SER 53 HB3 SER 53 -3.539 9.279 6.483 5 HG SER 53 HG SER 53 -2.175 11.055 8.019 No H/Q in entry = 5 In of MODEL 26 1 H ASP 54 H ASP 54 -4.828 10.159 9.286 2 HA ASP 54 HA ASP 54 -7.162 8.797 9.968 3 HB2 ASP 54 HB2 ASP 54 -6.588 11.076 10.737 4 HB3 ASP 54 HB3 ASP 54 -6.891 11.687 9.115 No H/Q in entry = 4 In of MODEL 26 1 H LEU 55 H LEU 55 -8.513 7.762 8.778 2 HA LEU 55 HA LEU 55 -8.473 6.861 6.397 3 HB2 LEU 55 HB2 LEU 55 -10.353 6.567 8.009 4 HB3 LEU 55 HB3 LEU 55 -11.101 7.993 7.320 5 HG LEU 55 HG LEU 55 -11.102 6.813 5.089 6 HD11 LEU 55 HD11 LEU 55 -9.376 5.148 5.605 7 HD12 LEU 55 HD12 LEU 55 -10.462 4.391 6.770 8 HD13 LEU 55 HD13 LEU 55 -10.875 4.400 5.056 9 HD21 LEU 55 HD21 LEU 55 -13.107 7.001 6.487 10 HD22 LEU 55 HD22 LEU 55 -13.072 5.485 5.587 11 HD23 LEU 55 HD23 LEU 55 -12.675 5.498 7.305 No H/Q in entry = 11 In of MODEL 26 1 H SER 56 H SER 56 -11.122 9.035 5.959 2 HA SER 56 HA SER 56 -9.883 11.013 4.363 3 HB2 SER 56 HB2 SER 56 -11.072 8.625 2.938 4 HB3 SER 56 HB3 SER 56 -11.012 10.217 2.182 5 HG SER 56 HG SER 56 -8.702 9.040 3.291 No H/Q in entry = 5 In of MODEL 26 1 H PHE 57 H PHE 57 -11.470 12.445 3.420 2 HA PHE 57 HA PHE 57 -14.075 12.264 4.739 3 HB2 PHE 57 HB2 PHE 57 -14.340 14.633 3.977 4 HB3 PHE 57 HB3 PHE 57 -12.942 14.384 5.014 5 HD1 PHE 57 HD1 PHE 57 -14.095 15.292 1.690 6 HD2 PHE 57 HD2 PHE 57 -10.676 14.467 4.088 7 HE1 PHE 57 HE1 PHE 57 -12.654 16.336 -0.009 8 HE2 PHE 57 HE2 PHE 57 -9.231 15.506 2.391 9 HZ PHE 57 HZ PHE 57 -10.219 16.444 0.339 No H/Q in entry = 9 In of MODEL 26 1 H SER 58 H SER 58 -16.024 12.724 3.480 2 HA SER 58 HA SER 58 -16.299 11.218 1.158 3 HB2 SER 58 HB2 SER 58 -18.025 13.580 1.936 4 HB3 SER 58 HB3 SER 58 -18.506 12.157 1.009 5 HG SER 58 HG SER 58 -18.935 11.207 2.828 No H/Q in entry = 5 In of MODEL 26 1 H LYS 59 H LYS 59 -15.995 11.672 -0.985 2 HA LYS 59 HA LYS 59 -15.166 14.387 -1.686 3 HB2 LYS 59 HB2 LYS 59 -13.120 13.268 -1.024 4 HB3 LYS 59 HB3 LYS 59 -13.483 11.908 -2.073 5 HG2 LYS 59 HG2 LYS 59 -11.772 13.336 -3.034 6 HG3 LYS 59 HG3 LYS 59 -13.227 13.323 -4.032 7 HD2 LYS 59 HD2 LYS 59 -13.909 15.462 -2.972 8 HD3 LYS 59 HD3 LYS 59 -12.372 15.488 -2.108 9 HE2 LYS 59 HE2 LYS 59 -12.413 16.882 -4.179 10 HE3 LYS 59 HE3 LYS 59 -11.142 15.659 -4.157 11 HZ1 LYS 59 HZ1 LYS 59 -13.763 15.365 -5.537 12 HZ2 LYS 59 HZ2 LYS 59 -12.309 15.794 -6.298 13 HZ3 LYS 59 HZ3 LYS 59 -12.469 14.266 -5.583 No H/Q in entry = 13 In of MODEL 26 1 H ASP 60 H ASP 60 -14.816 11.290 -3.417 2 HA ASP 60 HA ASP 60 -16.221 12.553 -5.666 3 HB2 ASP 60 HB2 ASP 60 -13.973 11.935 -6.236 4 HB3 ASP 60 HB3 ASP 60 -14.170 10.335 -5.533 No H/Q in entry = 4 In of MODEL 26 1 H TRP 61 H TRP 61 -15.661 9.251 -4.538 2 HA TRP 61 HA TRP 61 -18.433 8.667 -4.206 3 HB2 TRP 61 HB2 TRP 61 -18.265 8.573 -6.682 4 HB3 TRP 61 HB3 TRP 61 -16.973 7.386 -6.539 5 HD1 TRP 61 HD1 TRP 61 -20.738 7.742 -5.723 6 HE1 TRP 61 HE1 TRP 61 -21.812 5.405 -5.837 7 HE3 TRP 61 HE3 TRP 61 -16.527 4.969 -6.559 8 HZ2 TRP 61 HZ2 TRP 61 -20.979 2.738 -6.239 9 HZ3 TRP 61 HZ3 TRP 61 -16.737 2.535 -6.800 10 HH2 TRP 61 HH2 TRP 61 -18.947 1.429 -6.640 No H/Q in entry = 10 In of MODEL 26 1 H SER 62 H SER 62 -15.317 7.197 -5.031 2 HA SER 62 HA SER 62 -15.594 5.142 -3.042 3 HB2 SER 62 HB2 SER 62 -13.233 6.018 -4.738 4 HB3 SER 62 HB3 SER 62 -13.234 4.588 -3.698 5 HG SER 62 HG SER 62 -14.809 5.107 -6.003 No H/Q in entry = 5 In of MODEL 26 1 H PHE 63 H PHE 63 -14.772 5.127 -1.022 2 HA PHE 63 HA PHE 63 -13.483 7.527 0.003 3 HB2 PHE 63 HB2 PHE 63 -14.153 4.941 1.451 4 HB3 PHE 63 HB3 PHE 63 -13.690 6.462 2.197 5 HD1 PHE 63 HD1 PHE 63 -16.350 4.946 0.065 6 HD2 PHE 63 HD2 PHE 63 -15.339 7.932 2.937 7 HE1 PHE 63 HE1 PHE 63 -18.739 5.513 0.313 8 HE2 PHE 63 HE2 PHE 63 -17.733 8.506 3.181 9 HZ PHE 63 HZ PHE 63 -19.421 7.294 1.863 No H/Q in entry = 9 In of MODEL 26 1 H TYR 64 H TYR 64 -11.383 7.534 0.875 2 HA TYR 64 HA TYR 64 -9.692 5.497 -0.403 3 HB2 TYR 64 HB2 TYR 64 -8.888 8.261 0.535 4 HB3 TYR 64 HB3 TYR 64 -7.960 7.184 -0.497 5 HD1 TYR 64 HD1 TYR 64 -8.689 6.788 -2.842 6 HD2 TYR 64 HD2 TYR 64 -10.577 9.690 -0.366 7 HE1 TYR 64 HE1 TYR 64 -9.660 7.855 -4.838 8 HE2 TYR 64 HE2 TYR 64 -11.550 10.764 -2.352 9 HH TYR 64 HH TYR 64 -11.528 9.293 -5.436 No H/Q in entry = 9 In of MODEL 26 1 H LEU 65 H LEU 65 -8.074 4.469 0.750 2 HA LEU 65 HA LEU 65 -7.614 5.299 3.516 3 HB2 LEU 65 HB2 LEU 65 -9.132 3.508 3.821 4 HB3 LEU 65 HB3 LEU 65 -8.374 2.534 2.580 5 HG LEU 65 HG LEU 65 -6.738 3.164 4.995 6 HD11 LEU 65 HD11 LEU 65 -9.049 2.642 5.803 7 HD12 LEU 65 HD12 LEU 65 -8.890 1.070 5.022 8 HD13 LEU 65 HD13 LEU 65 -7.799 1.518 6.331 9 HD21 LEU 65 HD21 LEU 65 -5.872 1.821 3.129 10 HD22 LEU 65 HD22 LEU 65 -5.979 0.888 4.621 11 HD23 LEU 65 HD23 LEU 65 -7.192 0.673 3.358 No H/Q in entry = 11 In of MODEL 26 1 H LEU 66 H LEU 66 -5.525 5.298 4.091 2 HA LEU 66 HA LEU 66 -3.642 4.554 1.958 3 HB2 LEU 66 HB2 LEU 66 -4.240 7.061 2.669 4 HB3 LEU 66 HB3 LEU 66 -3.025 6.732 3.868 5 HG LEU 66 HG LEU 66 -2.591 6.570 0.897 6 HD11 LEU 66 HD11 LEU 66 -1.714 8.639 2.908 7 HD12 LEU 66 HD12 LEU 66 -1.227 8.585 1.216 8 HD13 LEU 66 HD13 LEU 66 -2.915 8.862 1.639 9 HD21 LEU 66 HD21 LEU 66 -0.681 6.261 3.197 10 HD22 LEU 66 HD22 LEU 66 -1.137 5.028 2.025 11 HD23 LEU 66 HD23 LEU 66 -0.197 6.431 1.513 No H/Q in entry = 11 In of MODEL 26 1 H TYR 67 H TYR 67 -1.966 3.319 2.514 2 HA TYR 67 HA TYR 67 -1.146 3.191 5.337 3 HB2 TYR 67 HB2 TYR 67 -1.727 0.986 3.442 4 HB3 TYR 67 HB3 TYR 67 -0.342 0.789 4.508 5 HD1 TYR 67 HD1 TYR 67 -3.980 0.813 4.294 6 HD2 TYR 67 HD2 TYR 67 -0.653 0.726 6.949 7 HE1 TYR 67 HE1 TYR 67 -5.426 -0.021 6.076 8 HE2 TYR 67 HE2 TYR 67 -2.110 -0.096 8.755 9 HH TYR 67 HH TYR 67 -5.027 -1.428 8.307 No H/Q in entry = 9 In of MODEL 26 1 H TYR 68 H TYR 68 0.843 3.942 5.607 2 HA TYR 68 HA TYR 68 2.786 3.562 3.432 3 HB2 TYR 68 HB2 TYR 68 3.525 5.899 3.548 4 HB3 TYR 68 HB3 TYR 68 1.823 5.805 3.085 5 HD1 TYR 68 HD1 TYR 68 0.076 6.494 4.695 6 HD2 TYR 68 HD2 TYR 68 4.213 6.954 5.569 7 HE1 TYR 68 HE1 TYR 68 -0.487 8.099 6.469 8 HE2 TYR 68 HE2 TYR 68 3.666 8.549 7.354 9 HH TYR 68 HH TYR 68 1.839 10.067 7.976 No H/Q in entry = 9 In of MODEL 26 1 H THR 69 H THR 69 5.014 4.146 4.094 2 HA THR 69 HA THR 69 5.549 4.230 6.945 3 HB THR 69 HB THR 69 5.226 1.797 6.482 4 HG1 THR 69 HG1 THR 69 6.664 2.477 8.135 5 HG21 THR 69 HG21 THR 69 7.587 2.195 4.645 6 HG22 THR 69 HG22 THR 69 7.049 0.624 5.230 7 HG23 THR 69 HG23 THR 69 5.981 1.596 4.217 No H/Q in entry = 7 In of MODEL 26 1 H GLU 70 H GLU 70 7.639 4.911 7.422 2 HA GLU 70 HA GLU 70 9.173 6.017 5.207 3 HB2 GLU 70 HB2 GLU 70 8.786 7.337 7.308 4 HB3 GLU 70 HB3 GLU 70 9.686 6.117 8.201 5 HG2 GLU 70 HG2 GLU 70 11.636 6.645 6.679 6 HG3 GLU 70 HG3 GLU 70 10.708 8.038 6.139 No H/Q in entry = 6 In of MODEL 26 1 H PHE 71 H PHE 71 11.097 5.126 4.491 2 HA PHE 71 HA PHE 71 12.120 2.767 5.829 3 HB2 PHE 71 HB2 PHE 71 11.815 1.273 3.914 4 HB3 PHE 71 HB3 PHE 71 10.261 1.841 4.504 5 HD1 PHE 71 HD1 PHE 71 10.464 4.607 3.139 6 HD2 PHE 71 HD2 PHE 71 11.071 0.635 1.761 7 HE1 PHE 71 HE1 PHE 71 9.854 5.304 0.875 8 HE2 PHE 71 HE2 PHE 71 10.470 1.326 -0.524 9 HZ PHE 71 HZ PHE 71 9.871 3.678 -0.985 No H/Q in entry = 9 In of MODEL 26 1 H THR 72 H THR 72 14.096 1.948 4.749 2 HA THR 72 HA THR 72 15.361 3.977 3.026 3 HB THR 72 HB THR 72 16.794 2.108 4.926 4 HG1 THR 72 HG1 THR 72 15.377 4.280 5.516 5 HG21 THR 72 HG21 THR 72 18.147 2.904 3.041 6 HG22 THR 72 HG22 THR 72 17.724 4.574 3.434 7 HG23 THR 72 HG23 THR 72 18.695 3.619 4.557 No H/Q in entry = 7 In of MODEL 26 1 HA PRO 73 HA PRO 73 14.816 0.167 0.384 2 HB2 PRO 73 HB2 PRO 73 15.602 1.721 -1.846 3 HB3 PRO 73 HB3 PRO 73 13.942 1.321 -1.381 4 HG2 PRO 73 HG2 PRO 73 15.521 3.792 -0.859 5 HG3 PRO 73 HG3 PRO 73 13.785 3.621 -1.187 6 HD2 PRO 73 HD2 PRO 73 14.681 4.110 1.287 7 HD3 PRO 73 HD3 PRO 73 13.312 3.002 1.013 No H/Q in entry = 7 In of MODEL 26 1 H THR 74 H THR 74 16.311 -1.181 -0.384 2 HA THR 74 HA THR 74 19.071 -0.274 -0.670 3 HB THR 74 HB THR 74 19.940 -2.175 0.610 4 HG1 THR 74 HG1 THR 74 17.166 -2.706 1.019 5 HG21 THR 74 HG21 THR 74 17.943 -0.563 2.191 6 HG22 THR 74 HG22 THR 74 19.295 -1.468 2.866 7 HG23 THR 74 HG23 THR 74 19.599 -0.082 1.817 No H/Q in entry = 7 In of MODEL 26 1 H GLU 75 H GLU 75 20.423 -2.120 -1.634 2 HA GLU 75 HA GLU 75 19.144 -3.220 -3.910 3 HB2 GLU 75 HB2 GLU 75 21.616 -2.649 -3.596 4 HB3 GLU 75 HB3 GLU 75 21.753 -4.137 -2.694 5 HG2 GLU 75 HG2 GLU 75 20.643 -4.264 -5.442 6 HG3 GLU 75 HG3 GLU 75 22.362 -3.978 -5.219 No H/Q in entry = 6 In of MODEL 26 1 H LYS 76 H LYS 76 20.236 -4.566 -0.842 2 HA LYS 76 HA LYS 76 19.664 -7.227 -1.535 3 HB2 LYS 76 HB2 LYS 76 20.260 -5.948 1.129 4 HB3 LYS 76 HB3 LYS 76 20.253 -7.682 0.822 5 HG2 LYS 76 HG2 LYS 76 22.119 -5.644 -0.407 6 HG3 LYS 76 HG3 LYS 76 22.532 -6.901 0.773 7 HD2 LYS 76 HD2 LYS 76 22.035 -8.624 -0.820 8 HD3 LYS 76 HD3 LYS 76 21.404 -7.434 -1.963 9 HE2 LYS 76 HE2 LYS 76 23.686 -6.391 -1.985 10 HE3 LYS 76 HE3 LYS 76 24.257 -7.768 -1.042 11 HZ1 LYS 76 HZ1 LYS 76 23.433 -9.210 -2.882 12 HZ2 LYS 76 HZ2 LYS 76 23.134 -7.802 -3.789 13 HZ3 LYS 76 HZ3 LYS 76 24.718 -8.185 -3.319 No H/Q in entry = 13 In of MODEL 26 1 H ASP 77 H ASP 77 17.760 -4.703 -0.068 2 HA ASP 77 HA ASP 77 15.832 -6.737 0.802 3 HB2 ASP 77 HB2 ASP 77 15.425 -5.422 2.614 4 HB3 ASP 77 HB3 ASP 77 16.850 -4.523 2.130 No H/Q in entry = 4 In of MODEL 26 1 H GLU 78 H GLU 78 13.486 -5.662 0.813 2 HA GLU 78 HA GLU 78 12.709 -4.448 -1.667 3 HB2 GLU 78 HB2 GLU 78 13.434 -6.732 -2.390 4 HB3 GLU 78 HB3 GLU 78 12.178 -7.423 -1.383 5 HG2 GLU 78 HG2 GLU 78 11.389 -7.397 -3.627 6 HG3 GLU 78 HG3 GLU 78 10.508 -6.128 -2.787 No H/Q in entry = 6 In of MODEL 26 1 H TYR 79 H TYR 79 10.481 -3.956 -1.657 2 HA TYR 79 HA TYR 79 9.076 -4.702 0.797 3 HB2 TYR 79 HB2 TYR 79 8.824 -1.939 -0.424 4 HB3 TYR 79 HB3 TYR 79 8.259 -2.508 1.146 5 HD1 TYR 79 HD1 TYR 79 9.392 -1.805 2.988 6 HD2 TYR 79 HD2 TYR 79 11.538 -2.213 -0.666 7 HE1 TYR 79 HE1 TYR 79 11.419 -0.951 4.078 8 HE2 TYR 79 HE2 TYR 79 13.577 -1.391 0.444 9 HH TYR 79 HH TYR 79 14.319 -0.227 2.285 No H/Q in entry = 9 In of MODEL 26 1 H ALA 80 H ALA 80 6.821 -4.773 0.707 2 HA ALA 80 HA ALA 80 5.656 -4.711 -2.005 3 HB1 ALA 80 HB1 ALA 80 6.449 -7.039 -1.369 4 HB2 ALA 80 HB2 ALA 80 4.765 -6.886 -1.881 5 HB3 ALA 80 HB3 ALA 80 5.159 -7.031 -0.169 No H/Q in entry = 5 In of MODEL 26 1 H CYS 81 H CYS 81 3.252 -4.816 -2.009 2 HA CYS 81 HA CYS 81 2.114 -3.787 0.500 3 HB2 CYS 81 HB2 CYS 81 1.701 -3.085 -2.356 4 HB3 CYS 81 HB3 CYS 81 0.271 -3.108 -1.331 No H/Q in entry = 4 In of MODEL 26 1 H ARG 82 H ARG 82 0.533 -4.978 1.421 2 HA ARG 82 HA ARG 82 -0.696 -7.166 -0.159 3 HB2 ARG 82 HB2 ARG 82 0.795 -7.759 1.877 4 HB3 ARG 82 HB3 ARG 82 -0.504 -7.066 2.841 5 HG2 ARG 82 HG2 ARG 82 -2.065 -8.701 1.794 6 HG3 ARG 82 HG3 ARG 82 -0.662 -9.469 1.046 7 HD2 ARG 82 HD2 ARG 82 -1.155 -9.128 4.005 8 HD3 ARG 82 HD3 ARG 82 -1.265 -10.632 3.100 9 HE ARG 82 HE ARG 82 1.194 -9.167 3.740 10 HH11 ARG 82 HH11 ARG 82 -0.428 -12.070 2.612 11 HH12 ARG 82 HH12 ARG 82 1.030 -13.017 2.568 12 HH21 ARG 82 HH21 ARG 82 3.104 -10.448 3.705 13 HH22 ARG 82 HH22 ARG 82 3.017 -12.105 3.201 No H/Q in entry = 13 In of MODEL 26 1 H VAL 83 H VAL 83 -2.931 -7.170 -0.244 2 HA VAL 83 HA VAL 83 -4.298 -5.652 1.874 3 HB VAL 83 HB VAL 83 -5.813 -4.585 0.529 4 HG11 VAL 83 HG11 VAL 83 -3.277 -4.653 -1.041 5 HG12 VAL 83 HG12 VAL 83 -4.569 -3.472 -1.249 6 HG13 VAL 83 HG13 VAL 83 -3.698 -3.568 0.283 7 HG21 VAL 83 HG21 VAL 83 -5.092 -6.435 -1.733 8 HG22 VAL 83 HG22 VAL 83 -6.581 -6.458 -0.788 9 HG23 VAL 83 HG23 VAL 83 -6.225 -5.087 -1.840 No H/Q in entry = 9 In of MODEL 26 1 H ASN 84 H ASN 84 -6.074 -6.494 2.676 2 HA ASN 84 HA ASN 84 -6.882 -9.143 1.702 3 HB2 ASN 84 HB2 ASN 84 -6.996 -8.168 4.569 4 HB3 ASN 84 HB3 ASN 84 -7.296 -9.802 3.998 5 HD21 ASN 84 HD21 ASN 84 -4.786 -7.344 4.323 6 HD22 ASN 84 HD22 ASN 84 -3.471 -8.458 4.447 No H/Q in entry = 6 In of MODEL 26 1 H HIS 85 H HIS 85 -8.933 -9.164 0.918 2 HA HIS 85 HA HIS 85 -10.990 -7.853 2.494 3 HB2 HIS 85 HB2 HIS 85 -10.170 -6.427 0.414 4 HB3 HIS 85 HB3 HIS 85 -11.141 -7.584 -0.484 5 HD2 HIS 85 HD2 HIS 85 -11.715 -4.965 2.413 6 HE1 HIS 85 HE1 HIS 85 -15.312 -5.639 0.294 7 HE2 HIS 85 HE2 HIS 85 -14.114 -4.115 1.923 No H/Q in entry = 7 In of MODEL 26 1 H VAL 86 H VAL 86 -13.173 -8.655 1.768 2 HA VAL 86 HA VAL 86 -13.079 -11.485 1.630 3 HB VAL 86 HB VAL 86 -15.507 -11.428 1.606 4 HG11 VAL 86 HG11 VAL 86 -14.360 -11.064 3.730 5 HG12 VAL 86 HG12 VAL 86 -14.379 -9.322 3.444 6 HG13 VAL 86 HG13 VAL 86 -15.893 -10.197 3.669 7 HG21 VAL 86 HG21 VAL 86 -15.808 -9.589 0.013 8 HG22 VAL 86 HG22 VAL 86 -16.758 -9.345 1.479 9 HG23 VAL 86 HG23 VAL 86 -15.262 -8.444 1.237 No H/Q in entry = 9 In of MODEL 26 1 H THR 87 H THR 87 -13.254 -8.997 -0.786 2 HA THR 87 HA THR 87 -14.570 -10.506 -2.775 3 HB THR 87 HB THR 87 -13.859 -8.750 -4.308 4 HG1 THR 87 HG1 THR 87 -11.827 -8.182 -3.855 5 HG21 THR 87 HG21 THR 87 -15.658 -8.287 -2.621 6 HG22 THR 87 HG22 THR 87 -14.438 -7.468 -1.644 7 HG23 THR 87 HG23 THR 87 -14.844 -6.856 -3.247 No H/Q in entry = 7 In of MODEL 26 1 H LEU 88 H LEU 88 -11.187 -9.809 -2.104 2 HA LEU 88 HA LEU 88 -10.185 -11.215 -4.352 3 HB2 LEU 88 HB2 LEU 88 -8.847 -10.350 -1.778 4 HB3 LEU 88 HB3 LEU 88 -7.987 -11.078 -3.121 5 HG LEU 88 HG LEU 88 -9.409 -8.416 -3.104 6 HD11 LEU 88 HD11 LEU 88 -7.190 -8.439 -2.042 7 HD12 LEU 88 HD12 LEU 88 -6.495 -9.121 -3.522 8 HD13 LEU 88 HD13 LEU 88 -7.201 -7.498 -3.540 9 HD21 LEU 88 HD21 LEU 88 -8.103 -9.881 -5.392 10 HD22 LEU 88 HD22 LEU 88 -9.812 -9.478 -5.231 11 HD23 LEU 88 HD23 LEU 88 -8.620 -8.194 -5.430 No H/Q in entry = 11 In of MODEL 26 1 H SER 89 H SER 89 -10.072 -13.330 -4.616 2 HA SER 89 HA SER 89 -11.017 -15.223 -2.805 3 HB2 SER 89 HB2 SER 89 -9.951 -16.889 -4.355 4 HB3 SER 89 HB3 SER 89 -10.947 -15.688 -5.174 5 HG SER 89 HG SER 89 -9.232 -14.926 -6.159 No H/Q in entry = 5 In of MODEL 26 1 H GLN 90 H GLN 90 -7.822 -13.962 -3.340 2 HA GLN 90 HA GLN 90 -6.977 -14.965 -0.757 3 HB2 GLN 90 HB2 GLN 90 -4.759 -14.926 -2.652 4 HB3 GLN 90 HB3 GLN 90 -5.237 -16.200 -1.539 5 HG2 GLN 90 HG2 GLN 90 -5.441 -17.290 -3.533 6 HG3 GLN 90 HG3 GLN 90 -7.073 -16.656 -3.335 7 HE21 GLN 90 HE21 GLN 90 -6.073 -13.917 -3.977 8 HE22 GLN 90 HE22 GLN 90 -6.039 -13.935 -5.707 No H/Q in entry = 8 In of MODEL 26 1 HA PRO 91 HA PRO 91 -5.842 -10.601 -0.332 2 HB2 PRO 91 HB2 PRO 91 -3.415 -11.960 0.827 3 HB3 PRO 91 HB3 PRO 91 -4.268 -10.505 1.391 4 HG2 PRO 91 HG2 PRO 91 -4.745 -12.791 2.593 5 HG3 PRO 91 HG3 PRO 91 -6.109 -11.730 2.154 6 HD2 PRO 91 HD2 PRO 91 -5.167 -14.277 0.860 7 HD3 PRO 91 HD3 PRO 91 -6.840 -13.668 1.054 No H/Q in entry = 7 In of MODEL 26 1 H LYS 92 H LYS 92 -4.275 -9.140 -1.173 2 HA LYS 92 HA LYS 92 -2.999 -10.318 -3.541 3 HB2 LYS 92 HB2 LYS 92 -5.006 -8.879 -3.959 4 HB3 LYS 92 HB3 LYS 92 -4.105 -7.529 -3.278 5 HG2 LYS 92 HG2 LYS 92 -3.943 -7.463 -5.677 6 HG3 LYS 92 HG3 LYS 92 -2.365 -7.877 -4.984 7 HD2 LYS 92 HD2 LYS 92 -2.639 -9.381 -6.757 8 HD3 LYS 92 HD3 LYS 92 -3.048 -10.298 -5.301 9 HE2 LYS 92 HE2 LYS 92 -4.685 -10.812 -6.961 10 HE3 LYS 92 HE3 LYS 92 -5.454 -9.782 -5.757 11 HZ1 LYS 92 HZ1 LYS 92 -5.076 -7.883 -7.255 12 HZ2 LYS 92 HZ2 LYS 92 -4.445 -8.941 -8.418 13 HZ3 LYS 92 HZ3 LYS 92 -6.069 -9.068 -7.948 No H/Q in entry = 13 In of MODEL 26 1 H ILE 93 H ILE 93 -0.894 -10.031 -3.756 2 HA ILE 93 HA ILE 93 0.372 -7.851 -2.230 3 HB ILE 93 HB ILE 93 1.556 -10.475 -3.129 4 HG12 ILE 93 HG12 ILE 93 2.096 -10.550 -0.591 5 HG13 ILE 93 HG13 ILE 93 0.850 -9.323 -0.446 6 HG21 ILE 93 HG21 ILE 93 3.175 -8.689 -3.464 7 HG22 ILE 93 HG22 ILE 93 2.952 -8.167 -1.791 8 HG23 ILE 93 HG23 ILE 93 3.659 -9.746 -2.136 9 HD11 ILE 93 HD11 ILE 93 0.480 -12.073 -1.601 10 HD12 ILE 93 HD12 ILE 93 -0.001 -11.553 0.014 11 HD13 ILE 93 HD13 ILE 93 -0.775 -10.850 -1.405 No H/Q in entry = 11 In of MODEL 26 1 H VAL 94 H VAL 94 1.333 -6.321 -3.330 2 HA VAL 94 HA VAL 94 2.308 -6.886 -6.042 3 HB VAL 94 HB VAL 94 1.018 -4.302 -5.122 4 HG11 VAL 94 HG11 VAL 94 2.919 -3.860 -6.582 5 HG12 VAL 94 HG12 VAL 94 2.280 -4.993 -7.774 6 HG13 VAL 94 HG13 VAL 94 1.401 -3.507 -7.409 7 HG21 VAL 94 HG21 VAL 94 0.165 -6.319 -7.199 8 HG22 VAL 94 HG22 VAL 94 -0.611 -6.033 -5.641 9 HG23 VAL 94 HG23 VAL 94 -0.634 -4.779 -6.883 No H/Q in entry = 9 In of MODEL 26 1 H LYS 95 H LYS 95 4.386 -6.363 -6.333 2 HA LYS 95 HA LYS 95 5.803 -5.489 -3.947 3 HB2 LYS 95 HB2 LYS 95 7.442 -6.830 -4.668 4 HB3 LYS 95 HB3 LYS 95 6.338 -7.356 -5.923 5 HG2 LYS 95 HG2 LYS 95 7.335 -6.023 -7.524 6 HG3 LYS 95 HG3 LYS 95 8.072 -4.956 -6.316 7 HD2 LYS 95 HD2 LYS 95 9.239 -7.163 -5.541 8 HD3 LYS 95 HD3 LYS 95 8.882 -7.689 -7.182 9 HE2 LYS 95 HE2 LYS 95 11.153 -6.571 -6.638 10 HE3 LYS 95 HE3 LYS 95 10.307 -6.137 -8.130 11 HZ1 LYS 95 HZ1 LYS 95 9.368 -4.226 -6.744 12 HZ2 LYS 95 HZ2 LYS 95 10.585 -4.585 -5.618 13 HZ3 LYS 95 HZ3 LYS 95 10.989 -4.129 -7.198 No H/Q in entry = 13 In of MODEL 26 1 H TRP 96 H TRP 96 7.051 -3.682 -3.817 2 HA TRP 96 HA TRP 96 6.018 -1.435 -5.195 3 HB2 TRP 96 HB2 TRP 96 6.746 -1.224 -2.897 4 HB3 TRP 96 HB3 TRP 96 8.384 -1.741 -3.303 5 HD1 TRP 96 HD1 TRP 96 6.003 1.201 -4.244 6 HE1 TRP 96 HE1 TRP 96 7.456 3.322 -4.422 7 HE3 TRP 96 HE3 TRP 96 10.592 -0.868 -3.368 8 HZ2 TRP 96 HZ2 TRP 96 10.164 4.024 -4.212 9 HZ3 TRP 96 HZ3 TRP 96 12.571 0.590 -3.373 10 HH2 TRP 96 HH2 TRP 96 12.353 3.006 -3.794 No H/Q in entry = 10 In of MODEL 26 1 H ASP 97 H ASP 97 6.579 -0.660 -7.103 2 HA ASP 97 HA ASP 97 9.246 -1.321 -8.149 3 HB2 ASP 97 HB2 ASP 97 8.295 -1.071 -10.400 4 HB3 ASP 97 HB3 ASP 97 7.416 -2.290 -9.483 No H/Q in entry = 4 In of MODEL 26 1 H ARG 98 H ARG 98 10.592 0.220 -8.665 2 HA ARG 98 HA ARG 98 9.668 2.996 -8.562 3 HB2 ARG 98 HB2 ARG 98 11.979 3.591 -8.158 4 HB3 ARG 98 HB3 ARG 98 11.513 2.326 -7.051 5 HG2 ARG 98 HG2 ARG 98 13.519 1.496 -7.616 6 HG3 ARG 98 HG3 ARG 98 12.598 0.813 -8.953 7 HD2 ARG 98 HD2 ARG 98 14.698 1.847 -9.703 8 HD3 ARG 98 HD3 ARG 98 13.284 2.643 -10.394 9 HE ARG 98 HE ARG 98 13.665 4.489 -8.932 10 HH11 ARG 98 HH11 ARG 98 16.175 2.048 -8.771 11 HH12 ARG 98 HH12 ARG 98 17.413 3.172 -8.288 12 HH21 ARG 98 HH21 ARG 98 15.289 5.967 -8.290 13 HH22 ARG 98 HH22 ARG 98 16.909 5.396 -7.995 No H/Q in entry = 13 In of MODEL 26 1 H ASP 99 H ASP 99 11.121 0.566 -10.511 2 HA ASP 99 HA ASP 99 10.675 2.154 -12.928 3 HB2 ASP 99 HB2 ASP 99 13.059 2.449 -12.237 4 HB3 ASP 99 HB3 ASP 99 13.270 0.707 -12.325 No H/Q in entry = 4 In of MODEL 26 1 H MET 100 H MET 100 10.419 -0.667 -11.208 2 HA MET 100 HA MET 100 10.890 -2.582 -13.305 3 HB2 MET 100 HB2 MET 100 9.717 -2.984 -10.546 4 HB3 MET 100 HB3 MET 100 10.348 -4.237 -11.610 5 HG2 MET 100 HG2 MET 100 12.562 -3.456 -11.370 6 HG3 MET 100 HG3 MET 100 12.023 -1.969 -10.590 7 HE1 MET 100 HE1 MET 100 14.349 -3.818 -9.454 8 HE2 MET 100 HE2 MET 100 13.813 -2.339 -8.656 9 HE3 MET 100 HE3 MET 100 13.953 -3.838 -7.736 No H/Q in entry = 9 In of MODEL 27 1 HA ILE 2 HA ILE 2 -21.313 -9.537 -4.686 2 HB ILE 2 HB ILE 2 -19.650 -10.225 -6.447 3 HG12 ILE 2 HG12 ILE 2 -21.080 -8.118 -8.095 4 HG13 ILE 2 HG13 ILE 2 -19.383 -8.081 -7.617 5 HG21 ILE 2 HG21 ILE 2 -22.553 -10.099 -7.237 6 HG22 ILE 2 HG22 ILE 2 -21.352 -11.168 -7.962 7 HG23 ILE 2 HG23 ILE 2 -21.774 -11.343 -6.258 8 HD11 ILE 2 HD11 ILE 2 -20.653 -10.115 -9.436 9 HD12 ILE 2 HD12 ILE 2 -19.644 -8.755 -9.933 10 HD13 ILE 2 HD13 ILE 2 -18.954 -10.059 -8.965 No H/Q in entry = 10 In of MODEL 27 1 H GLN 3 H GLN 3 -20.834 -6.511 -4.433 2 HA GLN 3 HA GLN 3 -19.281 -5.098 -3.643 3 HB2 GLN 3 HB2 GLN 3 -18.917 -7.066 -2.090 4 HB3 GLN 3 HB3 GLN 3 -17.595 -7.564 -3.129 5 HG2 GLN 3 HG2 GLN 3 -16.924 -6.321 -1.071 6 HG3 GLN 3 HG3 GLN 3 -16.325 -5.638 -2.587 7 HE21 GLN 3 HE21 GLN 3 -18.555 -5.231 0.056 8 HE22 GLN 3 HE22 GLN 3 -18.909 -3.569 -0.253 No H/Q in entry = 8 In of MODEL 27 1 H ARG 4 H ARG 4 -16.820 -4.443 -3.926 2 HA ARG 4 HA ARG 4 -16.168 -4.857 -6.773 3 HB2 ARG 4 HB2 ARG 4 -17.168 -2.663 -6.483 4 HB3 ARG 4 HB3 ARG 4 -16.130 -2.333 -5.105 5 HG2 ARG 4 HG2 ARG 4 -14.239 -1.953 -6.436 6 HG3 ARG 4 HG3 ARG 4 -14.951 -2.763 -7.844 7 HD2 ARG 4 HD2 ARG 4 -14.865 -0.248 -7.968 8 HD3 ARG 4 HD3 ARG 4 -16.468 -0.950 -8.203 9 HE ARG 4 HE ARG 4 -16.657 -0.429 -5.658 10 HH11 ARG 4 HH11 ARG 4 -14.982 1.534 -8.019 11 HH12 ARG 4 HH12 ARG 4 -15.351 3.034 -7.221 12 HH21 ARG 4 HH21 ARG 4 -17.126 1.527 -4.578 13 HH22 ARG 4 HH22 ARG 4 -16.580 3.029 -5.261 No H/Q in entry = 13 In of MODEL 27 1 H THR 5 H THR 5 -14.011 -5.170 -7.262 2 HA THR 5 HA THR 5 -12.382 -6.011 -5.063 3 HB THR 5 HB THR 5 -10.796 -6.827 -6.680 4 HG1 THR 5 HG1 THR 5 -11.571 -4.773 -8.127 5 HG21 THR 5 HG21 THR 5 -13.670 -7.246 -7.453 6 HG22 THR 5 HG22 THR 5 -12.352 -8.076 -8.280 7 HG23 THR 5 HG23 THR 5 -12.597 -8.315 -6.555 No H/Q in entry = 7 In of MODEL 27 1 HA PRO 6 HA PRO 6 -10.286 -2.022 -4.733 2 HB2 PRO 6 HB2 PRO 6 -8.767 -3.219 -2.571 3 HB3 PRO 6 HB3 PRO 6 -9.964 -1.924 -2.491 4 HG2 PRO 6 HG2 PRO 6 -10.346 -4.443 -1.463 5 HG3 PRO 6 HG3 PRO 6 -11.666 -3.352 -1.957 6 HD2 PRO 6 HD2 PRO 6 -10.498 -5.714 -3.386 7 HD3 PRO 6 HD3 PRO 6 -12.174 -5.114 -3.347 No H/Q in entry = 7 In of MODEL 27 1 H LYS 7 H LYS 7 -8.487 -1.486 -5.841 2 HA LYS 7 HA LYS 7 -6.816 -3.734 -6.702 3 HB2 LYS 7 HB2 LYS 7 -8.035 -2.309 -8.395 4 HB3 LYS 7 HB3 LYS 7 -7.012 -0.964 -7.913 5 HG2 LYS 7 HG2 LYS 7 -5.032 -2.263 -8.605 6 HG3 LYS 7 HG3 LYS 7 -6.104 -3.551 -9.158 7 HD2 LYS 7 HD2 LYS 7 -6.048 -0.715 -10.191 8 HD3 LYS 7 HD3 LYS 7 -5.413 -2.136 -11.020 9 HE2 LYS 7 HE2 LYS 7 -8.299 -1.730 -10.243 10 HE3 LYS 7 HE3 LYS 7 -7.634 -1.431 -11.848 11 HZ1 LYS 7 HZ1 LYS 7 -7.659 -4.061 -10.456 12 HZ2 LYS 7 HZ2 LYS 7 -8.709 -3.593 -11.704 13 HZ3 LYS 7 HZ3 LYS 7 -7.048 -3.765 -12.012 No H/Q in entry = 13 In of MODEL 27 1 H ILE 8 H ILE 8 -4.547 -3.513 -6.779 2 HA ILE 8 HA ILE 8 -3.573 -1.895 -4.550 3 HB ILE 8 HB ILE 8 -2.358 -4.288 -5.944 4 HG12 ILE 8 HG12 ILE 8 -2.491 -5.386 -3.825 5 HG13 ILE 8 HG13 ILE 8 -2.886 -3.889 -3.008 6 HG21 ILE 8 HG21 ILE 8 -1.081 -2.471 -3.916 7 HG22 ILE 8 HG22 ILE 8 -0.456 -4.052 -4.378 8 HG23 ILE 8 HG23 ILE 8 -0.549 -2.760 -5.573 9 HD11 ILE 8 HD11 ILE 8 -4.677 -5.245 -4.992 10 HD12 ILE 8 HD12 ILE 8 -4.771 -5.451 -3.242 11 HD13 ILE 8 HD13 ILE 8 -5.066 -3.864 -3.962 No H/Q in entry = 11 In of MODEL 27 1 H GLN 9 H GLN 9 -2.676 -0.058 -4.951 2 HA GLN 9 HA GLN 9 -0.846 0.120 -7.248 3 HB2 GLN 9 HB2 GLN 9 -1.882 2.751 -6.471 4 HB3 GLN 9 HB3 GLN 9 -1.882 2.064 -8.099 5 HG2 GLN 9 HG2 GLN 9 -3.905 0.868 -7.666 6 HG3 GLN 9 HG3 GLN 9 -3.938 1.418 -5.995 7 HE21 GLN 9 HE21 GLN 9 -2.897 3.485 -8.581 8 HE22 GLN 9 HE22 GLN 9 -4.265 4.546 -8.556 No H/Q in entry = 8 In of MODEL 27 1 H VAL 10 H VAL 10 1.139 0.431 -6.529 2 HA VAL 10 HA VAL 10 1.547 1.893 -4.029 3 HB VAL 10 HB VAL 10 1.759 -0.279 -3.186 4 HG11 VAL 10 HG11 VAL 10 1.691 -1.433 -5.365 5 HG12 VAL 10 HG12 VAL 10 3.413 -1.105 -5.562 6 HG13 VAL 10 HG13 VAL 10 2.851 -2.128 -4.234 7 HG21 VAL 10 HG21 VAL 10 4.536 0.576 -3.991 8 HG22 VAL 10 HG22 VAL 10 3.666 1.039 -2.529 9 HG23 VAL 10 HG23 VAL 10 4.168 -0.635 -2.762 No H/Q in entry = 9 In of MODEL 27 1 H TYR 11 H TYR 11 3.042 3.326 -4.063 2 HA TYR 11 HA TYR 11 5.067 3.399 -6.172 3 HB2 TYR 11 HB2 TYR 11 3.420 5.881 -5.616 4 HB3 TYR 11 HB3 TYR 11 4.513 5.582 -6.949 5 HD1 TYR 11 HD1 TYR 11 1.103 5.465 -5.816 6 HD2 TYR 11 HD2 TYR 11 3.776 3.975 -8.776 7 HE1 TYR 11 HE1 TYR 11 -0.793 4.988 -7.274 8 HE2 TYR 11 HE2 TYR 11 1.863 3.455 -10.233 9 HH TYR 11 HH TYR 11 -0.463 3.152 -10.213 No H/Q in entry = 9 In of MODEL 27 1 H SER 12 H SER 12 6.711 5.128 -5.666 2 HA SER 12 HA SER 12 6.908 5.605 -2.805 3 HB2 SER 12 HB2 SER 12 8.908 4.908 -4.111 4 HB3 SER 12 HB3 SER 12 8.793 6.402 -5.035 5 HG SER 12 HG SER 12 10.125 6.100 -2.859 No H/Q in entry = 5 In of MODEL 27 1 H ARG 13 H ARG 13 6.800 7.594 -1.847 2 HA ARG 13 HA ARG 13 5.125 9.543 -2.986 3 HB2 ARG 13 HB2 ARG 13 5.745 9.099 -0.508 4 HB3 ARG 13 HB3 ARG 13 7.153 10.089 -0.821 5 HG2 ARG 13 HG2 ARG 13 4.339 11.114 -1.157 6 HG3 ARG 13 HG3 ARG 13 5.263 11.232 0.333 7 HD2 ARG 13 HD2 ARG 13 6.116 12.363 -2.320 8 HD3 ARG 13 HD3 ARG 13 5.378 13.276 -1.016 9 HE ARG 13 HE ARG 13 8.101 12.553 -1.244 10 HH11 ARG 13 HH11 ARG 13 5.574 12.918 1.171 11 HH12 ARG 13 HH12 ARG 13 6.684 13.369 2.435 12 HH21 ARG 13 HH21 ARG 13 9.541 13.162 0.404 13 HH22 ARG 13 HH22 ARG 13 8.937 13.524 1.995 No H/Q in entry = 13 In of MODEL 27 1 H HIS 14 H HIS 14 8.636 9.508 -2.646 2 HA HIS 14 HA HIS 14 8.804 11.661 -4.644 3 HB2 HIS 14 HB2 HIS 14 10.142 11.384 -2.009 4 HB3 HIS 14 HB3 HIS 14 11.144 12.001 -3.319 5 HD2 HIS 14 HD2 HIS 14 8.091 13.561 -4.366 6 HE1 HIS 14 HE1 HIS 14 9.301 15.968 -1.104 7 HE2 HIS 14 HE2 HIS 14 7.896 15.879 -3.216 No H/Q in entry = 7 In of MODEL 27 1 HA PRO 15 HA PRO 15 11.877 9.300 -6.995 2 HB2 PRO 15 HB2 PRO 15 14.384 10.354 -6.240 3 HB3 PRO 15 HB3 PRO 15 13.414 10.830 -7.647 4 HG2 PRO 15 HG2 PRO 15 13.665 12.173 -4.971 5 HG3 PRO 15 HG3 PRO 15 13.366 12.884 -6.592 6 HD2 PRO 15 HD2 PRO 15 11.397 12.634 -4.754 7 HD3 PRO 15 HD3 PRO 15 11.086 12.448 -6.505 No H/Q in entry = 7 In of MODEL 27 1 H ALA 16 H ALA 16 12.925 7.399 -6.688 2 HA ALA 16 HA ALA 16 13.250 6.570 -3.912 3 HB1 ALA 16 HB1 ALA 16 11.670 5.302 -5.248 4 HB2 ALA 16 HB2 ALA 16 12.936 4.935 -6.421 5 HB3 ALA 16 HB3 ALA 16 13.043 4.295 -4.781 No H/Q in entry = 5 In of MODEL 27 1 H GLU 17 H GLU 17 15.217 6.202 -3.112 2 HA GLU 17 HA GLU 17 17.446 5.801 -4.971 3 HB2 GLU 17 HB2 GLU 17 17.041 8.134 -3.769 4 HB3 GLU 17 HB3 GLU 17 17.802 7.313 -2.420 5 HG2 GLU 17 HG2 GLU 17 19.068 7.530 -5.118 6 HG3 GLU 17 HG3 GLU 17 19.288 8.736 -3.873 No H/Q in entry = 6 In of MODEL 27 1 H ASN 18 H ASN 18 18.717 4.152 -4.502 2 HA ASN 18 HA ASN 18 18.072 2.475 -2.235 3 HB2 ASN 18 HB2 ASN 18 18.458 1.152 -4.077 4 HB3 ASN 18 HB3 ASN 18 19.773 2.162 -4.681 5 HD21 ASN 18 HD21 ASN 18 21.116 0.416 -5.008 6 HD22 ASN 18 HD22 ASN 18 21.845 -0.461 -3.701 No H/Q in entry = 6 In of MODEL 27 1 H GLY 19 H GLY 19 19.036 2.382 -0.378 2 HA2 GLY 19 HA2 GLY 19 21.730 3.399 0.025 3 HA3 GLY 19 HA3 GLY 19 20.662 2.721 1.265 No H/Q in entry = 3 In of MODEL 27 1 H LYS 20 H LYS 20 18.486 4.486 0.217 2 HA LYS 20 HA LYS 20 19.313 6.975 1.544 3 HB2 LYS 20 HB2 LYS 20 19.216 6.989 -1.070 4 HB3 LYS 20 HB3 LYS 20 17.478 6.979 -0.829 5 HG2 LYS 20 HG2 LYS 20 17.927 9.223 -1.067 6 HG3 LYS 20 HG3 LYS 20 17.903 9.032 0.687 7 HD2 LYS 20 HD2 LYS 20 20.466 8.640 0.388 8 HD3 LYS 20 HD3 LYS 20 20.233 9.453 -1.150 9 HE2 LYS 20 HE2 LYS 20 20.917 10.976 0.722 10 HE3 LYS 20 HE3 LYS 20 19.419 11.435 -0.089 11 HZ1 LYS 20 HZ1 LYS 20 19.509 9.889 2.449 12 HZ2 LYS 20 HZ2 LYS 20 19.351 11.575 2.372 13 HZ3 LYS 20 HZ3 LYS 20 18.149 10.585 1.710 No H/Q in entry = 13 In of MODEL 27 1 H SER 21 H SER 21 17.724 7.936 2.769 2 HA SER 21 HA SER 21 15.476 6.386 3.532 3 HB2 SER 21 HB2 SER 21 16.548 7.952 5.075 4 HB3 SER 21 HB3 SER 21 16.115 9.292 4.022 5 HG SER 21 HG SER 21 14.620 9.123 5.712 No H/Q in entry = 5 In of MODEL 27 1 H ASN 22 H ASN 22 13.490 6.382 2.769 2 HA ASN 22 HA ASN 22 12.686 8.336 0.723 3 HB2 ASN 22 HB2 ASN 22 13.764 6.064 -0.159 4 HB3 ASN 22 HB3 ASN 22 12.239 5.370 0.358 5 HD21 ASN 22 HD21 ASN 22 12.434 8.613 -1.035 6 HD22 ASN 22 HD22 ASN 22 11.649 8.187 -2.512 No H/Q in entry = 6 In of MODEL 27 1 H PHE 23 H PHE 23 10.261 8.057 0.290 2 HA PHE 23 HA PHE 23 8.920 7.090 2.733 3 HB2 PHE 23 HB2 PHE 23 8.369 9.546 1.085 4 HB3 PHE 23 HB3 PHE 23 7.166 8.867 2.166 5 HD1 PHE 23 HD1 PHE 23 10.710 10.041 2.182 6 HD2 PHE 23 HD2 PHE 23 7.029 9.685 4.284 7 HE1 PHE 23 HE1 PHE 23 11.635 11.388 4.021 8 HE2 PHE 23 HE2 PHE 23 7.943 11.028 6.130 9 HZ PHE 23 HZ PHE 23 10.251 11.868 6.004 No H/Q in entry = 9 In of MODEL 27 1 H LEU 24 H LEU 24 7.496 5.518 2.391 2 HA LEU 24 HA LEU 24 6.843 4.737 -0.330 3 HB2 LEU 24 HB2 LEU 24 7.174 3.417 2.115 4 HB3 LEU 24 HB3 LEU 24 5.475 3.250 1.739 5 HG LEU 24 HG LEU 24 7.801 2.331 0.025 6 HD11 LEU 24 HD11 LEU 24 5.707 0.813 1.585 7 HD12 LEU 24 HD12 LEU 24 6.904 0.088 0.512 8 HD13 LEU 24 HD13 LEU 24 7.422 0.927 1.973 9 HD21 LEU 24 HD21 LEU 24 4.831 2.140 -0.488 10 HD22 LEU 24 HD22 LEU 24 6.016 3.040 -1.440 11 HD23 LEU 24 HD23 LEU 24 6.076 1.278 -1.394 No H/Q in entry = 11 In of MODEL 27 1 H ASN 25 H ASN 25 4.712 4.393 -1.030 2 HA ASN 25 HA ASN 25 2.544 5.419 0.625 3 HB2 ASN 25 HB2 ASN 25 3.265 6.448 -2.108 4 HB3 ASN 25 HB3 ASN 25 1.578 6.400 -1.624 5 HD21 ASN 25 HD21 ASN 25 3.159 8.677 -2.265 6 HD22 ASN 25 HD22 ASN 25 3.175 9.683 -0.859 No H/Q in entry = 6 In of MODEL 27 1 H CYS 26 H CYS 26 0.931 3.976 0.664 2 HA CYS 26 HA CYS 26 0.675 2.140 -1.617 3 HB2 CYS 26 HB2 CYS 26 1.581 1.167 0.609 4 HB3 CYS 26 HB3 CYS 26 -0.074 1.374 1.192 No H/Q in entry = 4 In of MODEL 27 1 H TYR 27 H TYR 27 -1.241 2.299 -2.575 2 HA TYR 27 HA TYR 27 -3.335 3.800 -1.146 3 HB2 TYR 27 HB2 TYR 27 -2.277 4.154 -3.945 4 HB3 TYR 27 HB3 TYR 27 -3.900 4.670 -3.522 5 HD1 TYR 27 HD1 TYR 27 -0.306 5.392 -3.137 6 HD2 TYR 27 HD2 TYR 27 -4.253 6.616 -2.076 7 HE1 TYR 27 HE1 TYR 27 0.552 7.592 -2.500 8 HE2 TYR 27 HE2 TYR 27 -3.387 8.822 -1.433 9 HH TYR 27 HH TYR 27 -0.266 9.893 -2.235 No H/Q in entry = 9 In of MODEL 27 1 H VAL 28 H VAL 28 -4.719 2.177 -0.712 2 HA VAL 28 HA VAL 28 -5.550 0.487 -2.968 3 HB VAL 28 HB VAL 28 -6.406 -0.030 -0.142 4 HG11 VAL 28 HG11 VAL 28 -7.477 -1.249 -1.953 5 HG12 VAL 28 HG12 VAL 28 -5.899 -1.791 -2.528 6 HG13 VAL 28 HG13 VAL 28 -6.503 -2.334 -0.962 7 HG21 VAL 28 HG21 VAL 28 -3.772 -0.832 -1.365 8 HG22 VAL 28 HG22 VAL 28 -4.027 0.125 0.098 9 HG23 VAL 28 HG23 VAL 28 -4.469 -1.588 0.073 No H/Q in entry = 9 In of MODEL 27 1 H SER 29 H SER 29 -7.162 1.489 -4.005 2 HA SER 29 HA SER 29 -9.393 2.519 -2.415 3 HB2 SER 29 HB2 SER 29 -7.867 4.406 -3.035 4 HB3 SER 29 HB3 SER 29 -8.144 4.023 -4.732 5 HG SER 29 HG SER 29 -9.766 5.339 -4.531 No H/Q in entry = 5 In of MODEL 27 1 H GLY 30 H GLY 30 -11.233 3.151 -4.038 2 HA2 GLY 30 HA2 GLY 30 -11.330 1.355 -6.332 3 HA3 GLY 30 HA3 GLY 30 -12.505 2.602 -5.931 No H/Q in entry = 3 In of MODEL 27 1 H PHE 31 H PHE 31 -12.445 1.524 -3.074 2 HA PHE 31 HA PHE 31 -14.284 -0.712 -3.604 3 HB2 PHE 31 HB2 PHE 31 -13.485 -1.835 -1.607 4 HB3 PHE 31 HB3 PHE 31 -12.083 -1.423 -2.618 5 HD1 PHE 31 HD1 PHE 31 -13.804 -0.828 0.524 6 HD2 PHE 31 HD2 PHE 31 -10.589 0.413 -1.966 7 HE1 PHE 31 HE1 PHE 31 -12.810 0.373 2.419 8 HE2 PHE 31 HE2 PHE 31 -9.596 1.630 -0.073 9 HZ PHE 31 HZ PHE 31 -10.710 1.605 2.120 No H/Q in entry = 9 In of MODEL 27 1 H HIS 32 H HIS 32 -15.615 -1.180 -1.537 2 HA HIS 32 HA HIS 32 -15.992 0.912 0.350 3 HB2 HIS 32 HB2 HIS 32 -18.475 1.140 -0.128 4 HB3 HIS 32 HB3 HIS 32 -17.424 1.894 -1.318 5 HD2 HIS 32 HD2 HIS 32 -19.850 -1.153 -1.003 6 HE1 HIS 32 HE1 HIS 32 -18.949 -0.498 -5.083 7 HE2 HIS 32 HE2 HIS 32 -20.239 -1.937 -3.446 No H/Q in entry = 7 In of MODEL 27 1 HA PRO 33 HA PRO 33 -18.157 1.144 1.932 2 HB2 PRO 33 HB2 PRO 33 -17.784 0.006 4.612 3 HB3 PRO 33 HB3 PRO 33 -19.216 0.746 3.894 4 HG2 PRO 33 HG2 PRO 33 -19.090 -1.885 4.377 5 HG3 PRO 33 HG3 PRO 33 -19.934 -1.237 2.957 6 HD2 PRO 33 HD2 PRO 33 -17.195 -2.443 3.144 7 HD3 PRO 33 HD3 PRO 33 -18.464 -2.719 1.931 No H/Q in entry = 7 In of MODEL 27 1 H SER 34 H SER 34 -17.238 2.290 4.072 2 HA SER 34 HA SER 34 -14.609 3.074 3.378 3 HB2 SER 34 HB2 SER 34 -16.008 3.721 5.973 4 HB3 SER 34 HB3 SER 34 -14.780 4.684 5.139 5 HG SER 34 HG SER 34 -17.475 4.200 4.382 No H/Q in entry = 5 In of MODEL 27 1 H ASP 35 H ASP 35 -14.004 0.481 3.804 2 HA ASP 35 HA ASP 35 -11.884 0.762 5.660 3 HB2 ASP 35 HB2 ASP 35 -13.345 0.366 7.430 4 HB3 ASP 35 HB3 ASP 35 -14.195 -0.924 6.586 No H/Q in entry = 4 In of MODEL 27 1 H ILE 36 H ILE 36 -10.288 -0.347 4.993 2 HA ILE 36 HA ILE 36 -10.565 -3.149 4.193 3 HB ILE 36 HB ILE 36 -10.459 -1.692 2.057 4 HG12 ILE 36 HG12 ILE 36 -8.633 -3.972 2.738 5 HG13 ILE 36 HG13 ILE 36 -10.017 -3.946 1.653 6 HG21 ILE 36 HG21 ILE 36 -7.648 -1.354 3.088 7 HG22 ILE 36 HG22 ILE 36 -8.145 -0.999 1.432 8 HG23 ILE 36 HG23 ILE 36 -8.816 -0.070 2.772 9 HD11 ILE 36 HD11 ILE 36 -7.341 -2.679 1.089 10 HD12 ILE 36 HD12 ILE 36 -7.884 -4.234 0.466 11 HD13 ILE 36 HD13 ILE 36 -8.712 -2.753 -0.018 No H/Q in entry = 11 In of MODEL 27 1 H GLU 37 H GLU 37 -8.578 -4.349 4.604 2 HA GLU 37 HA GLU 37 -6.588 -2.802 6.076 3 HB2 GLU 37 HB2 GLU 37 -6.958 -5.801 5.891 4 HB3 GLU 37 HB3 GLU 37 -5.643 -4.989 6.745 5 HG2 GLU 37 HG2 GLU 37 -7.230 -3.919 8.193 6 HG3 GLU 37 HG3 GLU 37 -8.552 -4.753 7.370 No H/Q in entry = 6 In of MODEL 27 1 H VAL 38 H VAL 38 -4.572 -2.728 5.543 2 HA VAL 38 HA VAL 38 -3.530 -4.284 3.362 3 HB VAL 38 HB VAL 38 -3.873 -2.810 1.738 4 HG11 VAL 38 HG11 VAL 38 -4.407 -0.697 3.800 5 HG12 VAL 38 HG12 VAL 38 -4.652 -0.516 2.062 6 HG13 VAL 38 HG13 VAL 38 -5.595 -1.702 2.967 7 HG21 VAL 38 HG21 VAL 38 -1.853 -1.136 3.232 8 HG22 VAL 38 HG22 VAL 38 -1.515 -2.369 2.019 9 HG23 VAL 38 HG23 VAL 38 -2.331 -0.875 1.552 No H/Q in entry = 9 In of MODEL 27 1 H ASP 39 H ASP 39 -1.498 -4.700 3.612 2 HA ASP 39 HA ASP 39 -0.009 -3.270 5.702 3 HB2 ASP 39 HB2 ASP 39 -0.564 -5.170 6.903 4 HB3 ASP 39 HB3 ASP 39 -0.536 -6.213 5.500 No H/Q in entry = 4 In of MODEL 27 1 H LEU 40 H LEU 40 2.190 -3.165 5.452 2 HA LEU 40 HA LEU 40 3.056 -3.525 2.684 3 HB2 LEU 40 HB2 LEU 40 4.522 -2.019 4.841 4 HB3 LEU 40 HB3 LEU 40 4.723 -1.889 3.105 5 HG LEU 40 HG LEU 40 2.330 -0.942 4.677 6 HD11 LEU 40 HD11 LEU 40 4.571 0.571 3.340 7 HD12 LEU 40 HD12 LEU 40 3.122 1.305 4.030 8 HD13 LEU 40 HD13 LEU 40 4.262 0.454 5.075 9 HD21 LEU 40 HD21 LEU 40 2.948 -0.779 1.738 10 HD22 LEU 40 HD22 LEU 40 1.592 -1.612 2.504 11 HD23 LEU 40 HD23 LEU 40 1.687 0.153 2.546 No H/Q in entry = 11 In of MODEL 27 1 H LEU 41 H LEU 41 4.843 -4.725 2.161 2 HA LEU 41 HA LEU 41 5.931 -6.410 4.343 3 HB2 LEU 41 HB2 LEU 41 5.829 -7.304 1.510 4 HB3 LEU 41 HB3 LEU 41 5.990 -8.261 2.947 5 HG LEU 41 HG LEU 41 3.486 -6.807 2.226 6 HD11 LEU 41 HD11 LEU 41 4.019 -8.425 0.494 7 HD12 LEU 41 HD12 LEU 41 4.222 -9.680 1.717 8 HD13 LEU 41 HD13 LEU 41 2.635 -8.961 1.445 9 HD21 LEU 41 HD21 LEU 41 4.052 -9.021 4.183 10 HD22 LEU 41 HD22 LEU 41 3.694 -7.339 4.581 11 HD23 LEU 41 HD23 LEU 41 2.458 -8.347 3.830 No H/Q in entry = 11 In of MODEL 27 1 H LYS 42 H LYS 42 8.007 -7.355 3.877 2 HA LYS 42 HA LYS 42 9.595 -5.985 1.835 3 HB2 LYS 42 HB2 LYS 42 10.597 -6.864 4.524 4 HB3 LYS 42 HB3 LYS 42 11.431 -5.846 3.362 5 HG2 LYS 42 HG2 LYS 42 9.788 -4.046 3.737 6 HG3 LYS 42 HG3 LYS 42 8.879 -5.098 4.800 7 HD2 LYS 42 HD2 LYS 42 10.137 -3.700 6.229 8 HD3 LYS 42 HD3 LYS 42 10.959 -5.258 6.246 9 HE2 LYS 42 HE2 LYS 42 11.784 -2.927 4.525 10 HE3 LYS 42 HE3 LYS 42 12.468 -3.272 6.109 11 HZ1 LYS 42 HZ1 LYS 42 13.119 -5.495 5.177 12 HZ2 LYS 42 HZ2 LYS 42 12.690 -4.912 3.641 13 HZ3 LYS 42 HZ3 LYS 42 13.931 -4.164 4.515 No H/Q in entry = 13 In of MODEL 27 1 H ASN 43 H ASN 43 10.106 -7.424 0.462 2 HA ASN 43 HA ASN 43 10.841 -9.301 -0.579 3 HB2 ASN 43 HB2 ASN 43 12.072 -9.444 2.059 4 HB3 ASN 43 HB3 ASN 43 11.755 -11.048 1.412 5 HD21 ASN 43 HD21 ASN 43 13.656 -8.138 1.107 6 HD22 ASN 43 HD22 ASN 43 14.716 -8.747 -0.121 No H/Q in entry = 6 In of MODEL 27 1 H GLY 44 H GLY 44 8.762 -9.563 2.154 2 HA2 GLY 44 HA2 GLY 44 7.991 -12.310 1.686 3 HA3 GLY 44 HA3 GLY 44 6.786 -11.102 1.239 No H/Q in entry = 3 In of MODEL 27 1 H GLU 45 H GLU 45 8.585 -9.870 3.755 2 HA GLU 45 HA GLU 45 6.938 -11.152 5.811 3 HB2 GLU 45 HB2 GLU 45 9.541 -9.666 6.041 4 HB3 GLU 45 HB3 GLU 45 8.767 -10.622 7.301 5 HG2 GLU 45 HG2 GLU 45 9.684 -11.716 4.667 6 HG3 GLU 45 HG3 GLU 45 10.662 -11.711 6.111 No H/Q in entry = 6 In of MODEL 27 1 H ARG 46 H ARG 46 5.910 -9.918 7.357 2 HA ARG 46 HA ARG 46 4.805 -7.508 6.418 3 HB2 ARG 46 HB2 ARG 46 3.674 -9.184 7.915 4 HB3 ARG 46 HB3 ARG 46 4.691 -8.595 9.233 5 HG2 ARG 46 HG2 ARG 46 3.680 -6.409 9.085 6 HG3 ARG 46 HG3 ARG 46 2.787 -6.880 7.650 7 HD2 ARG 46 HD2 ARG 46 1.401 -8.383 8.917 8 HD3 ARG 46 HD3 ARG 46 2.405 -8.146 10.362 9 HE ARG 46 HE ARG 46 1.063 -5.836 9.157 10 HH11 ARG 46 HH11 ARG 46 1.363 -8.098 11.808 11 HH12 ARG 46 HH12 ARG 46 0.374 -7.169 12.887 12 HH21 ARG 46 HH21 ARG 46 -0.260 -4.615 10.568 13 HH22 ARG 46 HH22 ARG 46 -0.554 -5.182 12.181 No H/Q in entry = 13 In of MODEL 27 1 H ILE 47 H ILE 47 5.043 -5.394 6.994 2 HA ILE 47 HA ILE 47 7.313 -4.627 8.688 3 HB ILE 47 HB ILE 47 5.494 -2.909 6.972 4 HG12 ILE 47 HG12 ILE 47 8.376 -3.640 6.485 5 HG13 ILE 47 HG13 ILE 47 7.020 -4.405 5.664 6 HG21 ILE 47 HG21 ILE 47 8.007 -2.209 8.486 7 HG22 ILE 47 HG22 ILE 47 7.167 -1.137 7.363 8 HG23 ILE 47 HG23 ILE 47 6.371 -1.661 8.848 9 HD11 ILE 47 HD11 ILE 47 7.322 -1.437 5.592 10 HD12 ILE 47 HD12 ILE 47 8.273 -2.447 4.507 11 HD13 ILE 47 HD13 ILE 47 6.514 -2.509 4.450 No H/Q in entry = 11 In of MODEL 27 1 H GLU 48 H GLU 48 6.961 -3.489 10.622 2 HA GLU 48 HA GLU 48 4.149 -3.430 11.438 3 HB2 GLU 48 HB2 GLU 48 5.273 -3.265 13.792 4 HB3 GLU 48 HB3 GLU 48 5.112 -4.801 12.988 5 HG2 GLU 48 HG2 GLU 48 7.223 -4.916 13.715 6 HG3 GLU 48 HG3 GLU 48 7.490 -4.185 12.148 No H/Q in entry = 6 In of MODEL 27 1 H LYS 49 H LYS 49 7.024 -1.365 11.280 2 HA LYS 49 HA LYS 49 5.805 0.863 12.463 3 HB2 LYS 49 HB2 LYS 49 8.119 0.685 10.545 4 HB3 LYS 49 HB3 LYS 49 7.735 2.068 11.571 5 HG2 LYS 49 HG2 LYS 49 7.966 -0.532 12.919 6 HG3 LYS 49 HG3 LYS 49 9.454 0.144 12.276 7 HD2 LYS 49 HD2 LYS 49 9.413 1.914 13.728 8 HD3 LYS 49 HD3 LYS 49 7.652 1.928 13.806 9 HE2 LYS 49 HE2 LYS 49 8.816 1.216 15.918 10 HE3 LYS 49 HE3 LYS 49 7.609 0.091 15.299 11 HZ1 LYS 49 HZ1 LYS 49 10.527 -0.169 14.823 12 HZ2 LYS 49 HZ2 LYS 49 9.680 -0.981 16.044 13 HZ3 LYS 49 HZ3 LYS 49 9.323 -1.293 14.416 No H/Q in entry = 13 In of MODEL 27 1 H VAL 50 H VAL 50 4.503 -0.482 9.993 2 HA VAL 50 HA VAL 50 4.080 1.674 8.186 3 HB VAL 50 HB VAL 50 2.333 -0.719 8.761 4 HG11 VAL 50 HG11 VAL 50 1.166 1.149 7.622 5 HG12 VAL 50 HG12 VAL 50 2.385 1.082 6.340 6 HG13 VAL 50 HG13 VAL 50 1.315 -0.294 6.609 7 HG21 VAL 50 HG21 VAL 50 4.465 -0.294 6.680 8 HG22 VAL 50 HG22 VAL 50 4.564 -1.365 8.075 9 HG23 VAL 50 HG23 VAL 50 3.407 -1.693 6.792 No H/Q in entry = 9 In of MODEL 27 1 H GLU 51 H GLU 51 2.636 3.302 8.240 2 HA GLU 51 HA GLU 51 0.627 3.288 10.379 3 HB2 GLU 51 HB2 GLU 51 2.330 5.654 9.583 4 HB3 GLU 51 HB3 GLU 51 1.012 5.685 10.747 5 HG2 GLU 51 HG2 GLU 51 2.263 4.095 12.155 6 HG3 GLU 51 HG3 GLU 51 3.607 4.189 11.013 No H/Q in entry = 6 In of MODEL 27 1 H HIS 52 H HIS 52 -1.288 4.169 9.888 2 HA HIS 52 HA HIS 52 -1.653 5.229 7.170 3 HB2 HIS 52 HB2 HIS 52 -4.045 4.645 7.377 4 HB3 HIS 52 HB3 HIS 52 -2.999 3.238 7.503 5 HD2 HIS 52 HD2 HIS 52 -2.608 2.490 10.370 6 HE1 HIS 52 HE1 HIS 52 -6.508 3.877 11.246 7 HE2 HIS 52 HE2 HIS 52 -4.487 2.650 12.151 No H/Q in entry = 7 In of MODEL 27 1 H SER 53 H SER 53 -2.161 7.292 6.963 2 HA SER 53 HA SER 53 -2.557 8.860 9.382 3 HB2 SER 53 HB2 SER 53 -0.913 9.470 7.514 4 HB3 SER 53 HB3 SER 53 -2.326 9.953 6.578 5 HG SER 53 HG SER 53 -1.916 10.931 9.197 No H/Q in entry = 5 In of MODEL 27 1 H ASP 54 H ASP 54 -3.942 11.039 8.276 2 HA ASP 54 HA ASP 54 -6.546 10.580 8.897 3 HB2 ASP 54 HB2 ASP 54 -5.180 12.602 7.202 4 HB3 ASP 54 HB3 ASP 54 -6.934 12.523 7.079 No H/Q in entry = 4 In of MODEL 27 1 H LEU 55 H LEU 55 -8.060 9.327 8.147 2 HA LEU 55 HA LEU 55 -7.819 7.504 6.164 3 HB2 LEU 55 HB2 LEU 55 -9.599 7.746 8.003 4 HB3 LEU 55 HB3 LEU 55 -10.490 8.711 6.850 5 HG LEU 55 HG LEU 55 -11.179 6.287 7.066 6 HD11 LEU 55 HD11 LEU 55 -10.352 7.274 4.343 7 HD12 LEU 55 HD12 LEU 55 -11.480 5.953 4.652 8 HD13 LEU 55 HD13 LEU 55 -11.884 7.594 5.159 9 HD21 LEU 55 HD21 LEU 55 -8.945 5.334 7.234 10 HD22 LEU 55 HD22 LEU 55 -9.839 4.630 5.886 11 HD23 LEU 55 HD23 LEU 55 -8.595 5.844 5.584 No H/Q in entry = 11 In of MODEL 27 1 H SER 56 H SER 56 -10.279 9.979 5.690 2 HA SER 56 HA SER 56 -9.360 11.318 3.492 3 HB2 SER 56 HB2 SER 56 -9.314 8.949 2.480 4 HB3 SER 56 HB3 SER 56 -11.077 9.035 2.506 5 HG SER 56 HG SER 56 -9.265 10.718 1.120 No H/Q in entry = 5 In of MODEL 27 1 H PHE 57 H PHE 57 -11.491 11.827 1.965 2 HA PHE 57 HA PHE 57 -13.950 11.583 3.411 3 HB2 PHE 57 HB2 PHE 57 -12.930 13.682 4.377 4 HB3 PHE 57 HB3 PHE 57 -13.015 14.387 2.764 5 HD1 PHE 57 HD1 PHE 57 -15.126 15.063 1.813 6 HD2 PHE 57 HD2 PHE 57 -14.953 13.227 5.646 7 HE1 PHE 57 HE1 PHE 57 -17.449 15.746 2.238 8 HE2 PHE 57 HE2 PHE 57 -17.278 13.909 6.080 9 HZ PHE 57 HZ PHE 57 -18.529 15.170 4.375 No H/Q in entry = 9 In of MODEL 27 1 H SER 58 H SER 58 -15.121 10.770 1.852 2 HA SER 58 HA SER 58 -15.249 12.214 -0.712 3 HB2 SER 58 HB2 SER 58 -14.131 10.009 -1.024 4 HB3 SER 58 HB3 SER 58 -15.539 9.214 -0.320 5 HG SER 58 HG SER 58 -15.135 9.948 -2.859 No H/Q in entry = 5 In of MODEL 27 1 H LYS 59 H LYS 59 -17.534 11.404 -1.808 2 HA LYS 59 HA LYS 59 -19.468 12.072 0.234 3 HB2 LYS 59 HB2 LYS 59 -19.834 11.623 -2.735 4 HB3 LYS 59 HB3 LYS 59 -21.080 12.193 -1.631 5 HG2 LYS 59 HG2 LYS 59 -19.681 14.163 -1.117 6 HG3 LYS 59 HG3 LYS 59 -18.506 13.604 -2.306 7 HD2 LYS 59 HD2 LYS 59 -19.846 15.252 -3.367 8 HD3 LYS 59 HD3 LYS 59 -20.343 13.688 -4.013 9 HE2 LYS 59 HE2 LYS 59 -22.301 15.000 -3.567 10 HE3 LYS 59 HE3 LYS 59 -22.225 13.676 -2.405 11 HZ1 LYS 59 HZ1 LYS 59 -21.381 16.478 -1.879 12 HZ2 LYS 59 HZ2 LYS 59 -22.833 15.773 -1.356 13 HZ3 LYS 59 HZ3 LYS 59 -21.352 15.206 -0.758 No H/Q in entry = 13 In of MODEL 27 1 H ASP 60 H ASP 60 -20.466 9.821 -2.319 2 HA ASP 60 HA ASP 60 -20.268 7.641 -0.344 3 HB2 ASP 60 HB2 ASP 60 -22.476 7.965 -2.388 4 HB3 ASP 60 HB3 ASP 60 -22.393 6.780 -1.090 No H/Q in entry = 4 In of MODEL 27 1 H TRP 61 H TRP 61 -18.319 8.244 -2.406 2 HA TRP 61 HA TRP 61 -18.862 6.114 -4.361 3 HB2 TRP 61 HB2 TRP 61 -16.919 8.417 -4.581 4 HB3 TRP 61 HB3 TRP 61 -17.182 7.182 -5.805 5 HD1 TRP 61 HD1 TRP 61 -20.067 7.066 -6.421 6 HE1 TRP 61 HE1 TRP 61 -21.479 9.093 -7.147 7 HE3 TRP 61 HE3 TRP 61 -17.101 10.787 -4.580 8 HZ2 TRP 61 HZ2 TRP 61 -21.340 11.908 -6.955 9 HZ3 TRP 61 HZ3 TRP 61 -17.792 13.120 -4.885 10 HH2 TRP 61 HH2 TRP 61 -19.898 13.676 -6.066 No H/Q in entry = 10 In of MODEL 27 1 H SER 62 H SER 62 -15.684 7.441 -3.743 2 HA SER 62 HA SER 62 -14.844 4.759 -2.862 3 HB2 SER 62 HB2 SER 62 -14.159 5.366 -5.230 4 HB3 SER 62 HB3 SER 62 -13.208 6.689 -4.542 5 HG SER 62 HG SER 62 -11.822 5.270 -3.661 No H/Q in entry = 5 In of MODEL 27 1 H PHE 63 H PHE 63 -14.261 4.841 -0.826 2 HA PHE 63 HA PHE 63 -13.213 7.309 0.315 3 HB2 PHE 63 HB2 PHE 63 -13.656 4.706 1.784 4 HB3 PHE 63 HB3 PHE 63 -13.635 6.336 2.443 5 HD1 PHE 63 HD1 PHE 63 -15.621 7.748 2.337 6 HD2 PHE 63 HD2 PHE 63 -15.607 3.846 0.624 7 HE1 PHE 63 HE1 PHE 63 -18.091 7.803 2.187 8 HE2 PHE 63 HE2 PHE 63 -18.064 3.901 0.465 9 HZ PHE 63 HZ PHE 63 -19.300 5.880 1.245 No H/Q in entry = 9 In of MODEL 27 1 H TYR 64 H TYR 64 -11.149 7.641 -0.002 2 HA TYR 64 HA TYR 64 -9.303 5.592 -0.698 3 HB2 TYR 64 HB2 TYR 64 -8.561 8.377 0.203 4 HB3 TYR 64 HB3 TYR 64 -7.710 7.345 -0.938 5 HD1 TYR 64 HD1 TYR 64 -10.631 9.529 -0.467 6 HD2 TYR 64 HD2 TYR 64 -8.325 7.306 -3.264 7 HE1 TYR 64 HE1 TYR 64 -11.785 10.669 -2.305 8 HE2 TYR 64 HE2 TYR 64 -9.479 8.443 -5.119 9 HH TYR 64 HH TYR 64 -11.357 11.229 -4.670 No H/Q in entry = 9 In of MODEL 27 1 H LEU 65 H LEU 65 -7.628 4.713 0.514 2 HA LEU 65 HA LEU 65 -7.208 5.702 3.219 3 HB2 LEU 65 HB2 LEU 65 -8.724 4.026 3.725 4 HB3 LEU 65 HB3 LEU 65 -8.113 2.939 2.497 5 HG LEU 65 HG LEU 65 -6.313 3.572 4.787 6 HD11 LEU 65 HD11 LEU 65 -8.688 3.205 5.644 7 HD12 LEU 65 HD12 LEU 65 -8.522 1.556 5.041 8 HD13 LEU 65 HD13 LEU 65 -7.429 2.153 6.288 9 HD21 LEU 65 HD21 LEU 65 -5.628 2.105 2.940 10 HD22 LEU 65 HD22 LEU 65 -5.721 1.233 4.470 11 HD23 LEU 65 HD23 LEU 65 -7.005 1.054 3.275 No H/Q in entry = 11 In of MODEL 27 1 H LEU 66 H LEU 66 -5.163 5.709 3.849 2 HA LEU 66 HA LEU 66 -3.220 4.834 1.823 3 HB2 LEU 66 HB2 LEU 66 -3.785 7.354 2.440 4 HB3 LEU 66 HB3 LEU 66 -2.664 7.044 3.732 5 HG LEU 66 HG LEU 66 -2.026 6.811 0.802 6 HD11 LEU 66 HD11 LEU 66 -2.368 9.121 1.497 7 HD12 LEU 66 HD12 LEU 66 -1.231 8.895 2.824 8 HD13 LEU 66 HD13 LEU 66 -0.666 8.809 1.157 9 HD21 LEU 66 HD21 LEU 66 -0.298 6.477 3.233 10 HD22 LEU 66 HD22 LEU 66 -0.658 5.272 2.001 11 HD23 LEU 66 HD23 LEU 66 0.325 6.679 1.598 No H/Q in entry = 11 In of MODEL 27 1 H TYR 67 H TYR 67 -1.601 3.549 2.455 2 HA TYR 67 HA TYR 67 -0.897 3.426 5.309 3 HB2 TYR 67 HB2 TYR 67 -1.538 1.214 3.440 4 HB3 TYR 67 HB3 TYR 67 -0.199 0.962 4.550 5 HD1 TYR 67 HD1 TYR 67 -3.796 1.072 4.187 6 HD2 TYR 67 HD2 TYR 67 -0.613 1.059 7.011 7 HE1 TYR 67 HE1 TYR 67 -5.336 0.309 5.921 8 HE2 TYR 67 HE2 TYR 67 -2.169 0.324 8.770 9 HH TYR 67 HH TYR 67 -4.647 0.434 9.199 No H/Q in entry = 9 In of MODEL 27 1 H TYR 68 H TYR 68 1.077 4.161 5.597 2 HA TYR 68 HA TYR 68 3.087 3.592 3.522 3 HB2 TYR 68 HB2 TYR 68 3.947 5.883 3.632 4 HB3 TYR 68 HB3 TYR 68 2.254 5.882 3.131 5 HD1 TYR 68 HD1 TYR 68 0.520 6.710 4.684 6 HD2 TYR 68 HD2 TYR 68 4.654 6.904 5.657 7 HE1 TYR 68 HE1 TYR 68 0.024 8.376 6.426 8 HE2 TYR 68 HE2 TYR 68 4.173 8.552 7.412 9 HH TYR 68 HH TYR 68 1.148 9.134 8.631 No H/Q in entry = 9 In of MODEL 27 1 H THR 69 H THR 69 5.335 4.118 4.244 2 HA THR 69 HA THR 69 5.831 4.272 7.078 3 HB THR 69 HB THR 69 5.362 1.822 6.773 4 HG1 THR 69 HG1 THR 69 6.733 2.333 8.441 5 HG21 THR 69 HG21 THR 69 7.776 1.970 4.964 6 HG22 THR 69 HG22 THR 69 7.125 0.471 5.624 7 HG23 THR 69 HG23 THR 69 6.147 1.451 4.529 No H/Q in entry = 7 In of MODEL 27 1 H GLU 70 H GLU 70 7.875 5.041 7.475 2 HA GLU 70 HA GLU 70 9.464 5.918 5.237 3 HB2 GLU 70 HB2 GLU 70 9.266 7.204 7.391 4 HB3 GLU 70 HB3 GLU 70 10.203 5.939 8.180 5 HG2 GLU 70 HG2 GLU 70 12.049 6.424 6.558 6 HG3 GLU 70 HG3 GLU 70 11.114 7.810 6.013 No H/Q in entry = 6 In of MODEL 27 1 H PHE 71 H PHE 71 11.270 4.989 4.390 2 HA PHE 71 HA PHE 71 12.330 2.566 5.584 3 HB2 PHE 71 HB2 PHE 71 11.848 1.124 3.699 4 HB3 PHE 71 HB3 PHE 71 10.342 1.785 4.313 5 HD1 PHE 71 HD1 PHE 71 10.643 4.529 2.951 6 HD2 PHE 71 HD2 PHE 71 11.088 0.537 1.564 7 HE1 PHE 71 HE1 PHE 71 10.045 5.252 0.666 8 HE2 PHE 71 HE2 PHE 71 10.494 1.245 -0.716 9 HZ PHE 71 HZ PHE 71 9.988 3.611 -1.177 No H/Q in entry = 9 In of MODEL 27 1 H THR 72 H THR 72 14.258 1.782 4.416 2 HA THR 72 HA THR 72 15.438 3.822 2.651 3 HB THR 72 HB THR 72 16.945 1.982 4.525 4 HG1 THR 72 HG1 THR 72 15.672 4.373 4.934 5 HG21 THR 72 HG21 THR 72 18.235 2.706 2.562 6 HG22 THR 72 HG22 THR 72 17.855 4.390 2.931 7 HG23 THR 72 HG23 THR 72 18.849 3.444 4.040 No H/Q in entry = 7 In of MODEL 27 1 HA PRO 73 HA PRO 73 14.738 0.092 -0.059 2 HB2 PRO 73 HB2 PRO 73 15.578 1.698 -2.243 3 HB3 PRO 73 HB3 PRO 73 13.912 1.287 -1.802 4 HG2 PRO 73 HG2 PRO 73 15.487 3.742 -1.223 5 HG3 PRO 73 HG3 PRO 73 13.743 3.572 -1.499 6 HD2 PRO 73 HD2 PRO 73 14.727 3.999 0.954 7 HD3 PRO 73 HD3 PRO 73 13.342 2.903 0.699 No H/Q in entry = 7 In of MODEL 27 1 H THR 74 H THR 74 16.099 -1.289 -1.004 2 HA THR 74 HA THR 74 18.882 -0.535 -1.406 3 HB THR 74 HB THR 74 19.643 -2.647 -0.391 4 HG1 THR 74 HG1 THR 74 17.367 -3.159 1.031 5 HG21 THR 74 HG21 THR 74 17.965 -0.980 1.472 6 HG22 THR 74 HG22 THR 74 19.242 -2.086 1.968 7 HG23 THR 74 HG23 THR 74 19.640 -0.654 1.010 No H/Q in entry = 7 In of MODEL 27 1 H GLU 75 H GLU 75 20.024 -2.276 -2.687 2 HA GLU 75 HA GLU 75 18.592 -3.066 -4.992 3 HB2 GLU 75 HB2 GLU 75 21.158 -2.737 -4.495 4 HB3 GLU 75 HB3 GLU 75 21.102 -4.434 -4.071 5 HG2 GLU 75 HG2 GLU 75 20.363 -3.275 -6.744 6 HG3 GLU 75 HG3 GLU 75 21.882 -4.069 -6.336 No H/Q in entry = 6 In of MODEL 27 1 H LYS 76 H LYS 76 19.571 -4.793 -2.089 2 HA LYS 76 HA LYS 76 18.855 -7.344 -3.226 3 HB2 LYS 76 HB2 LYS 76 20.278 -6.524 -0.719 4 HB3 LYS 76 HB3 LYS 76 19.882 -8.200 -1.077 5 HG2 LYS 76 HG2 LYS 76 21.526 -8.395 -2.598 6 HG3 LYS 76 HG3 LYS 76 21.232 -6.787 -3.261 7 HD2 LYS 76 HD2 LYS 76 22.420 -5.794 -1.372 8 HD3 LYS 76 HD3 LYS 76 22.732 -7.409 -0.727 9 HE2 LYS 76 HE2 LYS 76 23.995 -7.983 -2.723 10 HE3 LYS 76 HE3 LYS 76 23.641 -6.401 -3.425 11 HZ1 LYS 76 HZ1 LYS 76 25.161 -6.823 -0.904 12 HZ2 LYS 76 HZ2 LYS 76 25.869 -6.553 -2.419 13 HZ3 LYS 76 HZ3 LYS 76 24.912 -5.349 -1.704 No H/Q in entry = 13 In of MODEL 27 1 H ASP 77 H ASP 77 17.475 -5.093 -0.981 2 HA ASP 77 HA ASP 77 15.561 -7.193 -0.171 3 HB2 ASP 77 HB2 ASP 77 16.612 -5.535 1.574 4 HB3 ASP 77 HB3 ASP 77 15.408 -4.412 0.951 No H/Q in entry = 4 In of MODEL 27 1 H GLU 78 H GLU 78 13.226 -6.095 0.132 2 HA GLU 78 HA GLU 78 12.475 -4.457 -2.109 3 HB2 GLU 78 HB2 GLU 78 10.825 -6.566 -2.747 4 HB3 GLU 78 HB3 GLU 78 12.353 -6.251 -3.578 5 HG2 GLU 78 HG2 GLU 78 13.164 -7.805 -1.489 6 HG3 GLU 78 HG3 GLU 78 11.539 -8.413 -1.765 No H/Q in entry = 6 In of MODEL 27 1 H TYR 79 H TYR 79 10.354 -3.595 -1.720 2 HA TYR 79 HA TYR 79 9.123 -4.682 0.692 3 HB2 TYR 79 HB2 TYR 79 8.775 -1.796 -0.144 4 HB3 TYR 79 HB3 TYR 79 8.391 -2.548 1.409 5 HD1 TYR 79 HD1 TYR 79 9.671 -1.758 3.120 6 HD2 TYR 79 HD2 TYR 79 11.515 -2.254 -0.682 7 HE1 TYR 79 HE1 TYR 79 11.815 -0.980 4.061 8 HE2 TYR 79 HE2 TYR 79 13.658 -1.497 0.251 9 HH TYR 79 HH TYR 79 14.513 -0.203 2.139 No H/Q in entry = 9 In of MODEL 27 1 H ALA 80 H ALA 80 6.816 -4.781 0.717 2 HA ALA 80 HA ALA 80 5.688 -4.664 -2.002 3 HB1 ALA 80 HB1 ALA 80 6.425 -6.958 -1.576 4 HB2 ALA 80 HB2 ALA 80 4.667 -6.849 -1.698 5 HB3 ALA 80 HB3 ALA 80 5.429 -6.999 -0.115 No H/Q in entry = 5 In of MODEL 27 1 H CYS 81 H CYS 81 3.319 -4.783 -2.019 2 HA CYS 81 HA CYS 81 2.155 -3.688 0.456 3 HB2 CYS 81 HB2 CYS 81 1.851 -2.978 -2.407 4 HB3 CYS 81 HB3 CYS 81 0.385 -2.959 -1.436 No H/Q in entry = 4 In of MODEL 27 1 H ARG 82 H ARG 82 0.540 -4.815 1.349 2 HA ARG 82 HA ARG 82 -0.708 -7.032 -0.180 3 HB2 ARG 82 HB2 ARG 82 0.761 -7.557 1.887 4 HB3 ARG 82 HB3 ARG 82 -0.518 -6.798 2.807 5 HG2 ARG 82 HG2 ARG 82 -2.014 -8.520 1.522 6 HG3 ARG 82 HG3 ARG 82 -0.491 -9.396 1.408 7 HD2 ARG 82 HD2 ARG 82 -1.990 -8.542 3.856 8 HD3 ARG 82 HD3 ARG 82 -1.498 -10.167 3.396 9 HE ARG 82 HE ARG 82 0.570 -8.200 4.053 10 HH11 ARG 82 HH11 ARG 82 -1.225 -11.098 4.867 11 HH12 ARG 82 HH12 ARG 82 -0.207 -11.497 6.219 12 HH21 ARG 82 HH21 ARG 82 1.893 -8.702 5.840 13 HH22 ARG 82 HH22 ARG 82 1.608 -10.176 6.731 No H/Q in entry = 13 In of MODEL 27 1 H VAL 83 H VAL 83 -2.972 -7.091 -0.181 2 HA VAL 83 HA VAL 83 -4.312 -5.445 1.852 3 HB VAL 83 HB VAL 83 -5.830 -4.419 0.470 4 HG11 VAL 83 HG11 VAL 83 -3.276 -4.563 -1.067 5 HG12 VAL 83 HG12 VAL 83 -4.571 -3.413 -1.389 6 HG13 VAL 83 HG13 VAL 83 -3.739 -3.391 0.167 7 HG21 VAL 83 HG21 VAL 83 -6.569 -6.375 -0.775 8 HG22 VAL 83 HG22 VAL 83 -6.290 -5.006 -1.850 9 HG23 VAL 83 HG23 VAL 83 -5.106 -6.310 -1.759 No H/Q in entry = 9 In of MODEL 27 1 H ASN 84 H ASN 84 -6.135 -6.218 2.642 2 HA ASN 84 HA ASN 84 -7.009 -8.872 1.691 3 HB2 ASN 84 HB2 ASN 84 -5.954 -9.165 3.864 4 HB3 ASN 84 HB3 ASN 84 -6.880 -7.826 4.541 5 HD21 ASN 84 HD21 ASN 84 -8.135 -8.737 6.098 6 HD22 ASN 84 HD22 ASN 84 -9.130 -10.148 5.884 No H/Q in entry = 6 In of MODEL 27 1 H HIS 85 H HIS 85 -8.818 -8.382 0.475 2 HA HIS 85 HA HIS 85 -11.025 -7.284 2.084 3 HB2 HIS 85 HB2 HIS 85 -10.142 -5.912 0.026 4 HB3 HIS 85 HB3 HIS 85 -11.014 -7.119 -0.912 5 HD2 HIS 85 HD2 HIS 85 -11.858 -4.513 1.935 6 HE1 HIS 85 HE1 HIS 85 -15.244 -5.159 -0.525 7 HE2 HIS 85 HE2 HIS 85 -14.344 -3.905 1.490 No H/Q in entry = 7 In of MODEL 27 1 H VAL 86 H VAL 86 -13.159 -8.171 1.396 2 HA VAL 86 HA VAL 86 -13.043 -10.994 1.320 3 HB VAL 86 HB VAL 86 -15.474 -10.946 1.252 4 HG11 VAL 86 HG11 VAL 86 -14.332 -8.835 3.079 5 HG12 VAL 86 HG12 VAL 86 -15.897 -9.625 3.279 6 HG13 VAL 86 HG13 VAL 86 -14.412 -10.568 3.398 7 HG21 VAL 86 HG21 VAL 86 -15.690 -9.101 -0.385 8 HG22 VAL 86 HG22 VAL 86 -16.740 -8.905 1.021 9 HG23 VAL 86 HG23 VAL 86 -15.257 -7.958 0.887 No H/Q in entry = 9 In of MODEL 27 1 H THR 87 H THR 87 -13.134 -8.599 -1.154 2 HA THR 87 HA THR 87 -14.463 -10.094 -3.152 3 HB THR 87 HB THR 87 -13.391 -8.459 -4.701 4 HG1 THR 87 HG1 THR 87 -12.518 -6.795 -2.734 5 HG21 THR 87 HG21 THR 87 -14.804 -7.412 -2.266 6 HG22 THR 87 HG22 THR 87 -14.493 -6.441 -3.707 7 HG23 THR 87 HG23 THR 87 -15.512 -7.877 -3.813 No H/Q in entry = 7 In of MODEL 27 1 H LEU 88 H LEU 88 -11.073 -9.513 -2.393 2 HA LEU 88 HA LEU 88 -10.062 -11.083 -4.537 3 HB2 LEU 88 HB2 LEU 88 -8.773 -10.133 -1.963 4 HB3 LEU 88 HB3 LEU 88 -7.904 -10.930 -3.261 5 HG LEU 88 HG LEU 88 -9.284 -8.248 -3.423 6 HD11 LEU 88 HD11 LEU 88 -7.164 -8.254 -2.158 7 HD12 LEU 88 HD12 LEU 88 -6.350 -8.963 -3.566 8 HD13 LEU 88 HD13 LEU 88 -7.053 -7.340 -3.674 9 HD21 LEU 88 HD21 LEU 88 -7.744 -9.776 -5.517 10 HD22 LEU 88 HD22 LEU 88 -9.480 -9.457 -5.524 11 HD23 LEU 88 HD23 LEU 88 -8.336 -8.121 -5.677 No H/Q in entry = 11 In of MODEL 27 1 H SER 89 H SER 89 -10.125 -13.240 -4.630 2 HA SER 89 HA SER 89 -11.168 -14.888 -2.649 3 HB2 SER 89 HB2 SER 89 -10.105 -16.760 -3.991 4 HB3 SER 89 HB3 SER 89 -11.143 -15.670 -4.907 5 HG SER 89 HG SER 89 -8.473 -16.162 -5.165 No H/Q in entry = 5 In of MODEL 27 1 H GLN 90 H GLN 90 -7.889 -13.823 -3.250 2 HA GLN 90 HA GLN 90 -7.105 -14.819 -0.633 3 HB2 GLN 90 HB2 GLN 90 -5.246 -14.853 -3.020 4 HB3 GLN 90 HB3 GLN 90 -4.989 -15.595 -1.448 5 HG2 GLN 90 HG2 GLN 90 -7.075 -16.480 -3.426 6 HG3 GLN 90 HG3 GLN 90 -5.468 -17.198 -3.288 7 HE21 GLN 90 HE21 GLN 90 -8.081 -18.427 -2.926 8 HE22 GLN 90 HE22 GLN 90 -8.096 -19.060 -1.311 No H/Q in entry = 8 In of MODEL 27 1 HA PRO 91 HA PRO 91 -5.878 -10.450 -0.217 2 HB2 PRO 91 HB2 PRO 91 -3.503 -11.794 1.040 3 HB3 PRO 91 HB3 PRO 91 -4.407 -10.365 1.576 4 HG2 PRO 91 HG2 PRO 91 -4.832 -12.729 2.724 5 HG3 PRO 91 HG3 PRO 91 -6.195 -11.616 2.368 6 HD2 PRO 91 HD2 PRO 91 -5.352 -14.158 1.004 7 HD3 PRO 91 HD3 PRO 91 -6.996 -13.474 1.182 No H/Q in entry = 7 In of MODEL 27 1 H LYS 92 H LYS 92 -4.261 -9.051 -1.089 2 HA LYS 92 HA LYS 92 -2.926 -10.346 -3.367 3 HB2 LYS 92 HB2 LYS 92 -4.823 -8.867 -3.988 4 HB3 LYS 92 HB3 LYS 92 -3.994 -7.526 -3.216 5 HG2 LYS 92 HG2 LYS 92 -3.632 -7.445 -5.599 6 HG3 LYS 92 HG3 LYS 92 -2.113 -7.823 -4.773 7 HD2 LYS 92 HD2 LYS 92 -2.111 -9.360 -6.493 8 HD3 LYS 92 HD3 LYS 92 -2.825 -10.276 -5.164 9 HE2 LYS 92 HE2 LYS 92 -5.057 -9.793 -6.032 10 HE3 LYS 92 HE3 LYS 92 -4.338 -8.902 -7.376 11 HZ1 LYS 92 HZ1 LYS 92 -3.884 -11.779 -6.799 12 HZ2 LYS 92 HZ2 LYS 92 -4.938 -11.177 -7.984 13 HZ3 LYS 92 HZ3 LYS 92 -3.267 -10.915 -8.121 No H/Q in entry = 13 In of MODEL 27 1 H ILE 93 H ILE 93 -0.801 -10.092 -3.549 2 HA ILE 93 HA ILE 93 0.478 -7.910 -2.047 3 HB ILE 93 HB ILE 93 1.637 -10.597 -2.781 4 HG12 ILE 93 HG12 ILE 93 2.069 -10.573 -0.214 5 HG13 ILE 93 HG13 ILE 93 0.819 -9.341 -0.177 6 HG21 ILE 93 HG21 ILE 93 3.294 -8.840 -3.112 7 HG22 ILE 93 HG22 ILE 93 3.011 -8.260 -1.468 8 HG23 ILE 93 HG23 ILE 93 3.709 -9.858 -1.730 9 HD11 ILE 93 HD11 ILE 93 0.494 -12.131 -1.248 10 HD12 ILE 93 HD12 ILE 93 -0.046 -11.562 0.330 11 HD13 ILE 93 HD13 ILE 93 -0.765 -10.902 -1.138 No H/Q in entry = 11 In of MODEL 27 1 H VAL 94 H VAL 94 1.566 -6.477 -3.180 2 HA VAL 94 HA VAL 94 2.640 -7.241 -5.803 3 HB VAL 94 HB VAL 94 1.364 -4.573 -5.151 4 HG11 VAL 94 HG11 VAL 94 3.314 -4.296 -6.583 5 HG12 VAL 94 HG12 VAL 94 2.686 -5.514 -7.692 6 HG13 VAL 94 HG13 VAL 94 1.828 -3.987 -7.483 7 HG21 VAL 94 HG21 VAL 94 -0.284 -6.320 -5.572 8 HG22 VAL 94 HG22 VAL 94 -0.253 -5.155 -6.896 9 HG23 VAL 94 HG23 VAL 94 0.522 -6.728 -7.089 No H/Q in entry = 9 In of MODEL 27 1 H LYS 95 H LYS 95 4.695 -6.709 -6.081 2 HA LYS 95 HA LYS 95 6.077 -5.580 -3.775 3 HB2 LYS 95 HB2 LYS 95 7.030 -7.052 -6.194 4 HB3 LYS 95 HB3 LYS 95 8.144 -6.133 -5.190 5 HG2 LYS 95 HG2 LYS 95 7.287 -7.464 -3.227 6 HG3 LYS 95 HG3 LYS 95 6.509 -8.524 -4.407 7 HD2 LYS 95 HD2 LYS 95 8.539 -9.217 -5.311 8 HD3 LYS 95 HD3 LYS 95 9.418 -7.845 -4.642 9 HE2 LYS 95 HE2 LYS 95 10.052 -9.786 -3.404 10 HE3 LYS 95 HE3 LYS 95 9.031 -8.800 -2.363 11 HZ1 LYS 95 HZ1 LYS 95 8.130 -11.190 -3.890 12 HZ2 LYS 95 HZ2 LYS 95 8.469 -11.152 -2.232 13 HZ3 LYS 95 HZ3 LYS 95 7.169 -10.261 -2.847 No H/Q in entry = 13 In of MODEL 27 1 H TRP 96 H TRP 96 7.128 -3.710 -3.729 2 HA TRP 96 HA TRP 96 6.175 -1.667 -5.446 3 HB2 TRP 96 HB2 TRP 96 6.605 -1.130 -3.136 4 HB3 TRP 96 HB3 TRP 96 8.281 -1.673 -3.247 5 HD1 TRP 96 HD1 TRP 96 6.031 1.154 -4.674 6 HE1 TRP 96 HE1 TRP 96 7.524 3.223 -5.032 7 HE3 TRP 96 HE3 TRP 96 10.547 -0.873 -3.398 8 HZ2 TRP 96 HZ2 TRP 96 10.242 3.900 -4.800 9 HZ3 TRP 96 HZ3 TRP 96 12.551 0.544 -3.495 10 HH2 TRP 96 HH2 TRP 96 12.393 2.905 -4.181 No H/Q in entry = 10 In of MODEL 27 1 H ASP 97 H ASP 97 6.995 -0.815 -7.204 2 HA ASP 97 HA ASP 97 9.760 -1.474 -7.956 3 HB2 ASP 97 HB2 ASP 97 9.107 -1.809 -10.224 4 HB3 ASP 97 HB3 ASP 97 7.979 -2.747 -9.248 No H/Q in entry = 4 In of MODEL 27 1 H ARG 98 H ARG 98 10.891 0.137 -9.049 2 HA ARG 98 HA ARG 98 9.582 2.770 -9.070 3 HB2 ARG 98 HB2 ARG 98 11.959 3.647 -9.016 4 HB3 ARG 98 HB3 ARG 98 11.392 2.873 -7.555 5 HG2 ARG 98 HG2 ARG 98 12.969 1.324 -9.601 6 HG3 ARG 98 HG3 ARG 98 13.793 2.380 -8.474 7 HD2 ARG 98 HD2 ARG 98 13.785 0.758 -6.917 8 HD3 ARG 98 HD3 ARG 98 12.010 0.688 -7.003 9 HE ARG 98 HE ARG 98 13.369 -0.732 -9.111 10 HH11 ARG 98 HH11 ARG 98 12.065 -0.907 -5.864 11 HH12 ARG 98 HH12 ARG 98 11.985 -2.639 -5.851 12 HH21 ARG 98 HH21 ARG 98 13.291 -3.033 -9.065 13 HH22 ARG 98 HH22 ARG 98 12.692 -3.844 -7.647 No H/Q in entry = 13 In of MODEL 27 1 H ASP 99 H ASP 99 11.451 0.467 -10.948 2 HA ASP 99 HA ASP 99 11.101 2.217 -13.296 3 HB2 ASP 99 HB2 ASP 99 13.423 2.400 -12.262 4 HB3 ASP 99 HB3 ASP 99 13.667 0.723 -12.736 No H/Q in entry = 4 In of MODEL 27 1 H MET 100 H MET 100 10.905 -0.822 -11.886 2 HA MET 100 HA MET 100 11.126 -2.213 -14.464 3 HB2 MET 100 HB2 MET 100 11.304 -4.253 -12.651 4 HB3 MET 100 HB3 MET 100 12.708 -3.349 -13.234 5 HG2 MET 100 HG2 MET 100 11.226 -2.402 -10.823 6 HG3 MET 100 HG3 MET 100 12.358 -3.752 -10.691 7 HE1 MET 100 HE1 MET 100 14.961 -3.529 -11.361 8 HE2 MET 100 HE2 MET 100 14.519 -2.851 -12.929 9 HE3 MET 100 HE3 MET 100 15.695 -2.022 -11.908 No H/Q in entry = 9 In of MODEL 28 1 HA ILE 2 HA ILE 2 -22.069 -8.216 -5.581 2 HB ILE 2 HB ILE 2 -22.551 -8.906 -3.225 3 HG12 ILE 2 HG12 ILE 2 -21.342 -11.550 -4.092 4 HG13 ILE 2 HG13 ILE 2 -20.689 -10.472 -2.860 5 HG21 ILE 2 HG21 ILE 2 -23.482 -10.824 -5.358 6 HG22 ILE 2 HG22 ILE 2 -24.260 -10.573 -3.795 7 HG23 ILE 2 HG23 ILE 2 -24.197 -9.259 -4.971 8 HD11 ILE 2 HD11 ILE 2 -23.314 -11.936 -2.715 9 HD12 ILE 2 HD12 ILE 2 -21.829 -12.358 -1.860 10 HD13 ILE 2 HD13 ILE 2 -22.666 -10.852 -1.484 No H/Q in entry = 10 In of MODEL 28 1 H GLN 3 H GLN 3 -21.318 -6.701 -3.979 2 HA GLN 3 HA GLN 3 -19.738 -5.354 -3.124 3 HB2 GLN 3 HB2 GLN 3 -19.361 -7.425 -1.647 4 HB3 GLN 3 HB3 GLN 3 -17.991 -7.788 -2.689 5 HG2 GLN 3 HG2 GLN 3 -17.385 -6.598 -0.586 6 HG3 GLN 3 HG3 GLN 3 -16.884 -5.769 -2.065 7 HE21 GLN 3 HE21 GLN 3 -19.089 -5.727 0.632 8 HE22 GLN 3 HE22 GLN 3 -19.625 -4.094 0.415 No H/Q in entry = 8 In of MODEL 28 1 H ARG 4 H ARG 4 -17.270 -4.755 -3.424 2 HA ARG 4 HA ARG 4 -16.656 -5.213 -6.263 3 HB2 ARG 4 HB2 ARG 4 -17.640 -3.033 -6.081 4 HB3 ARG 4 HB3 ARG 4 -16.658 -2.642 -4.680 5 HG2 ARG 4 HG2 ARG 4 -14.736 -2.266 -5.944 6 HG3 ARG 4 HG3 ARG 4 -15.352 -3.188 -7.327 7 HD2 ARG 4 HD2 ARG 4 -15.329 -0.651 -7.552 8 HD3 ARG 4 HD3 ARG 4 -16.839 -1.473 -7.942 9 HE ARG 4 HE ARG 4 -17.258 -0.828 -5.381 10 HH11 ARG 4 HH11 ARG 4 -15.946 1.062 -8.010 11 HH12 ARG 4 HH12 ARG 4 -16.618 2.565 -7.459 12 HH21 ARG 4 HH21 ARG 4 -18.151 1.142 -4.623 13 HH22 ARG 4 HH22 ARG 4 -17.867 2.612 -5.504 No H/Q in entry = 13 In of MODEL 28 1 H THR 5 H THR 5 -14.561 -5.618 -6.754 2 HA THR 5 HA THR 5 -12.902 -6.417 -4.570 3 HB THR 5 HB THR 5 -11.370 -7.288 -6.213 4 HG1 THR 5 HG1 THR 5 -11.646 -5.341 -7.620 5 HG21 THR 5 HG21 THR 5 -14.274 -7.687 -6.820 6 HG22 THR 5 HG22 THR 5 -13.042 -8.466 -7.811 7 HG23 THR 5 HG23 THR 5 -13.119 -8.794 -6.084 No H/Q in entry = 7 In of MODEL 28 1 HA PRO 6 HA PRO 6 -10.616 -2.520 -4.372 2 HB2 PRO 6 HB2 PRO 6 -8.876 -3.967 -2.513 3 HB3 PRO 6 HB3 PRO 6 -9.872 -2.538 -2.222 4 HG2 PRO 6 HG2 PRO 6 -10.443 -4.975 -1.167 5 HG3 PRO 6 HG3 PRO 6 -11.697 -3.773 -1.562 6 HD2 PRO 6 HD2 PRO 6 -10.858 -6.230 -3.071 7 HD3 PRO 6 HD3 PRO 6 -12.477 -5.521 -2.855 No H/Q in entry = 7 In of MODEL 28 1 H LYS 7 H LYS 7 -8.485 -1.907 -5.056 2 HA LYS 7 HA LYS 7 -7.032 -4.074 -6.400 3 HB2 LYS 7 HB2 LYS 7 -8.504 -2.798 -7.993 4 HB3 LYS 7 HB3 LYS 7 -7.585 -1.350 -7.611 5 HG2 LYS 7 HG2 LYS 7 -5.576 -2.348 -8.521 6 HG3 LYS 7 HG3 LYS 7 -6.443 -3.854 -8.831 7 HD2 LYS 7 HD2 LYS 7 -7.961 -2.616 -10.345 8 HD3 LYS 7 HD3 LYS 7 -6.984 -1.169 -10.091 9 HE2 LYS 7 HE2 LYS 7 -5.046 -2.283 -11.038 10 HE3 LYS 7 HE3 LYS 7 -5.971 -3.773 -11.223 11 HZ1 LYS 7 HZ1 LYS 7 -7.451 -2.604 -12.748 12 HZ2 LYS 7 HZ2 LYS 7 -6.521 -1.196 -12.594 13 HZ3 LYS 7 HZ3 LYS 7 -5.848 -2.584 -13.306 No H/Q in entry = 13 In of MODEL 28 1 H ILE 8 H ILE 8 -4.768 -3.658 -6.719 2 HA ILE 8 HA ILE 8 -3.803 -2.100 -4.441 3 HB ILE 8 HB ILE 8 -2.073 -3.948 -6.034 4 HG12 ILE 8 HG12 ILE 8 -4.057 -5.275 -5.644 5 HG13 ILE 8 HG13 ILE 8 -2.791 -5.809 -4.551 6 HG21 ILE 8 HG21 ILE 8 -1.059 -2.582 -4.298 7 HG22 ILE 8 HG22 ILE 8 -2.199 -3.216 -3.111 8 HG23 ILE 8 HG23 ILE 8 -1.011 -4.287 -3.854 9 HD11 ILE 8 HD11 ILE 8 -5.086 -4.011 -3.843 10 HD12 ILE 8 HD12 ILE 8 -4.934 -5.722 -3.439 11 HD13 ILE 8 HD13 ILE 8 -3.816 -4.546 -2.743 No H/Q in entry = 11 In of MODEL 28 1 H GLN 9 H GLN 9 -3.041 -0.136 -4.848 2 HA GLN 9 HA GLN 9 -1.162 0.083 -7.090 3 HB2 GLN 9 HB2 GLN 9 -3.209 2.053 -6.127 4 HB3 GLN 9 HB3 GLN 9 -1.751 2.610 -6.964 5 HG2 GLN 9 HG2 GLN 9 -2.344 1.216 -8.880 6 HG3 GLN 9 HG3 GLN 9 -3.798 0.682 -8.041 7 HE21 GLN 9 HE21 GLN 9 -3.447 2.130 -10.570 8 HE22 GLN 9 HE22 GLN 9 -4.380 3.584 -10.406 No H/Q in entry = 8 In of MODEL 28 1 H VAL 10 H VAL 10 0.823 0.290 -6.405 2 HA VAL 10 HA VAL 10 1.357 1.732 -3.909 3 HB VAL 10 HB VAL 10 1.481 -0.436 -3.044 4 HG11 VAL 10 HG11 VAL 10 1.264 -1.594 -5.217 5 HG12 VAL 10 HG12 VAL 10 3.001 -1.396 -5.456 6 HG13 VAL 10 HG13 VAL 10 2.396 -2.362 -4.104 7 HG21 VAL 10 HG21 VAL 10 4.275 0.237 -3.961 8 HG22 VAL 10 HG22 VAL 10 3.497 0.744 -2.461 9 HG23 VAL 10 HG23 VAL 10 3.885 -0.959 -2.724 No H/Q in entry = 9 In of MODEL 28 1 H TYR 11 H TYR 11 3.009 3.040 -3.946 2 HA TYR 11 HA TYR 11 5.215 2.852 -5.735 3 HB2 TYR 11 HB2 TYR 11 4.763 4.927 -7.013 4 HB3 TYR 11 HB3 TYR 11 3.566 3.688 -7.343 5 HD1 TYR 11 HD1 TYR 11 4.159 6.946 -5.735 6 HD2 TYR 11 HD2 TYR 11 1.256 4.001 -6.740 7 HE1 TYR 11 HE1 TYR 11 2.365 8.554 -5.247 8 HE2 TYR 11 HE2 TYR 11 -0.545 5.600 -6.248 9 HH TYR 11 HH TYR 11 -0.066 8.880 -5.960 No H/Q in entry = 9 In of MODEL 28 1 H SER 12 H SER 12 6.504 5.071 -5.512 2 HA SER 12 HA SER 12 6.631 5.483 -2.635 3 HB2 SER 12 HB2 SER 12 8.686 4.935 -3.961 4 HB3 SER 12 HB3 SER 12 8.525 6.494 -4.762 5 HG SER 12 HG SER 12 9.841 6.110 -2.621 No H/Q in entry = 5 In of MODEL 28 1 H ARG 13 H ARG 13 6.479 7.439 -1.627 2 HA ARG 13 HA ARG 13 4.631 9.286 -2.730 3 HB2 ARG 13 HB2 ARG 13 5.048 8.748 -0.254 4 HB3 ARG 13 HB3 ARG 13 6.476 9.752 -0.369 5 HG2 ARG 13 HG2 ARG 13 3.735 10.855 -0.935 6 HG3 ARG 13 HG3 ARG 13 4.418 10.768 0.682 7 HD2 ARG 13 HD2 ARG 13 5.570 12.241 -1.675 8 HD3 ARG 13 HD3 ARG 13 4.821 12.950 -0.251 9 HE ARG 13 HE ARG 13 7.465 11.720 -0.407 10 HH11 ARG 13 HH11 ARG 13 5.001 13.198 1.599 11 HH12 ARG 13 HH12 ARG 13 6.122 13.683 2.834 12 HH21 ARG 13 HH21 ARG 13 8.944 12.353 1.217 13 HH22 ARG 13 HH22 ARG 13 8.362 13.222 2.614 No H/Q in entry = 13 In of MODEL 28 1 H HIS 14 H HIS 14 8.132 9.495 -2.180 2 HA HIS 14 HA HIS 14 8.206 11.613 -4.214 3 HB2 HIS 14 HB2 HIS 14 9.533 11.463 -1.552 4 HB3 HIS 14 HB3 HIS 14 10.471 12.169 -2.866 5 HD2 HIS 14 HD2 HIS 14 7.235 13.418 -3.855 6 HE1 HIS 14 HE1 HIS 14 8.346 16.007 -0.696 7 HE2 HIS 14 HE2 HIS 14 6.918 15.755 -2.775 No H/Q in entry = 7 In of MODEL 28 1 HA PRO 15 HA PRO 15 11.322 9.417 -6.578 2 HB2 PRO 15 HB2 PRO 15 13.800 10.593 -5.890 3 HB3 PRO 15 HB3 PRO 15 12.774 11.001 -7.277 4 HG2 PRO 15 HG2 PRO 15 13.022 12.392 -4.626 5 HG3 PRO 15 HG3 PRO 15 12.636 13.063 -6.246 6 HD2 PRO 15 HD2 PRO 15 10.740 12.734 -4.345 7 HD3 PRO 15 HD3 PRO 15 10.386 12.499 -6.083 No H/Q in entry = 7 In of MODEL 28 1 H ALA 16 H ALA 16 12.199 7.491 -6.264 2 HA ALA 16 HA ALA 16 12.788 6.637 -3.566 3 HB1 ALA 16 HB1 ALA 16 11.363 5.252 -4.975 4 HB2 ALA 16 HB2 ALA 16 12.667 5.084 -6.151 5 HB3 ALA 16 HB3 ALA 16 12.836 4.388 -4.540 No H/Q in entry = 5 In of MODEL 28 1 H GLU 17 H GLU 17 14.804 6.450 -2.774 2 HA GLU 17 HA GLU 17 17.010 6.230 -4.691 3 HB2 GLU 17 HB2 GLU 17 16.518 8.404 -3.051 4 HB3 GLU 17 HB3 GLU 17 17.708 7.479 -2.132 5 HG2 GLU 17 HG2 GLU 17 18.145 8.169 -5.011 6 HG3 GLU 17 HG3 GLU 17 18.534 9.304 -3.728 No H/Q in entry = 6 In of MODEL 28 1 H ASN 18 H ASN 18 18.333 4.663 -4.416 2 HA ASN 18 HA ASN 18 17.941 2.806 -2.228 3 HB2 ASN 18 HB2 ASN 18 18.273 1.596 -4.135 4 HB3 ASN 18 HB3 ASN 18 19.420 2.747 -4.821 5 HD21 ASN 18 HD21 ASN 18 20.917 1.218 -5.372 6 HD22 ASN 18 HD22 ASN 18 21.842 0.328 -4.209 No H/Q in entry = 6 In of MODEL 28 1 H GLY 19 H GLY 19 18.994 2.757 -0.416 2 HA2 GLY 19 HA2 GLY 19 21.678 3.851 -0.170 3 HA3 GLY 19 HA3 GLY 19 20.731 3.063 1.104 No H/Q in entry = 3 In of MODEL 28 1 H LYS 20 H LYS 20 18.404 4.746 0.347 2 HA LYS 20 HA LYS 20 19.122 7.183 1.743 3 HB2 LYS 20 HB2 LYS 20 19.617 7.425 -0.723 4 HB3 LYS 20 HB3 LYS 20 17.878 7.362 -0.968 5 HG2 LYS 20 HG2 LYS 20 19.118 9.301 0.940 6 HG3 LYS 20 HG3 LYS 20 19.049 9.660 -0.786 7 HD2 LYS 20 HD2 LYS 20 16.848 10.154 -0.680 8 HD3 LYS 20 HD3 LYS 20 16.543 8.769 0.378 9 HE2 LYS 20 HE2 LYS 20 16.029 10.993 1.411 10 HE3 LYS 20 HE3 LYS 20 17.212 10.057 2.323 11 HZ1 LYS 20 HZ1 LYS 20 17.885 12.230 0.401 12 HZ2 LYS 20 HZ2 LYS 20 17.796 12.418 2.082 13 HZ3 LYS 20 HZ3 LYS 20 18.972 11.400 1.408 No H/Q in entry = 13 In of MODEL 28 1 H SER 21 H SER 21 17.556 8.094 2.831 2 HA SER 21 HA SER 21 15.398 6.450 3.546 3 HB2 SER 21 HB2 SER 21 15.842 9.385 4.038 4 HB3 SER 21 HB3 SER 21 14.704 8.362 4.916 5 HG SER 21 HG SER 21 16.397 7.233 5.796 No H/Q in entry = 5 In of MODEL 28 1 H ASN 22 H ASN 22 13.291 6.411 2.972 2 HA ASN 22 HA ASN 22 12.335 8.324 0.963 3 HB2 ASN 22 HB2 ASN 22 13.476 6.128 -0.009 4 HB3 ASN 22 HB3 ASN 22 11.991 5.361 0.531 5 HD21 ASN 22 HD21 ASN 22 11.901 8.650 -0.641 6 HD22 ASN 22 HD22 ASN 22 11.129 8.279 -2.142 No H/Q in entry = 6 In of MODEL 28 1 H PHE 23 H PHE 23 9.915 7.841 0.504 2 HA PHE 23 HA PHE 23 8.634 6.858 2.968 3 HB2 PHE 23 HB2 PHE 23 8.043 9.350 1.381 4 HB3 PHE 23 HB3 PHE 23 6.856 8.635 2.461 5 HD1 PHE 23 HD1 PHE 23 10.409 9.785 2.493 6 HD2 PHE 23 HD2 PHE 23 6.721 9.456 4.587 7 HE1 PHE 23 HE1 PHE 23 11.352 11.095 4.348 8 HE2 PHE 23 HE2 PHE 23 7.655 10.763 6.450 9 HZ PHE 23 HZ PHE 23 9.977 11.576 6.334 No H/Q in entry = 9 In of MODEL 28 1 H LEU 24 H LEU 24 7.196 5.281 2.579 2 HA LEU 24 HA LEU 24 6.602 4.568 -0.185 3 HB2 LEU 24 HB2 LEU 24 6.955 3.162 2.201 4 HB3 LEU 24 HB3 LEU 24 5.261 2.973 1.823 5 HG LEU 24 HG LEU 24 7.600 2.160 0.072 6 HD11 LEU 24 HD11 LEU 24 5.524 0.549 1.558 7 HD12 LEU 24 HD12 LEU 24 6.757 -0.110 0.482 8 HD13 LEU 24 HD13 LEU 24 7.229 0.693 1.981 9 HD21 LEU 24 HD21 LEU 24 4.639 1.894 -0.452 10 HD22 LEU 24 HD22 LEU 24 5.777 2.901 -1.349 11 HD23 LEU 24 HD23 LEU 24 5.922 1.144 -1.401 No H/Q in entry = 11 In of MODEL 28 1 H ASN 25 H ASN 25 4.523 4.279 -0.969 2 HA ASN 25 HA ASN 25 2.314 5.223 0.700 3 HB2 ASN 25 HB2 ASN 25 3.103 6.334 -1.969 4 HB3 ASN 25 HB3 ASN 25 1.391 6.205 -1.597 5 HD21 ASN 25 HD21 ASN 25 0.983 8.363 -1.509 6 HD22 ASN 25 HD22 ASN 25 1.624 9.405 -0.293 No H/Q in entry = 6 In of MODEL 28 1 H CYS 26 H CYS 26 0.726 3.764 0.732 2 HA CYS 26 HA CYS 26 0.470 1.928 -1.553 3 HB2 CYS 26 HB2 CYS 26 1.421 0.964 0.643 4 HB3 CYS 26 HB3 CYS 26 -0.217 1.164 1.275 No H/Q in entry = 4 In of MODEL 28 1 H TYR 27 H TYR 27 -1.451 2.055 -2.510 2 HA TYR 27 HA TYR 27 -3.596 3.472 -1.072 3 HB2 TYR 27 HB2 TYR 27 -2.685 3.717 -3.936 4 HB3 TYR 27 HB3 TYR 27 -4.277 4.245 -3.418 5 HD1 TYR 27 HD1 TYR 27 -4.568 6.298 -2.209 6 HD2 TYR 27 HD2 TYR 27 -0.653 4.915 -3.152 7 HE1 TYR 27 HE1 TYR 27 -3.661 8.531 -1.727 8 HE2 TYR 27 HE2 TYR 27 0.258 7.133 -2.662 9 HH TYR 27 HH TYR 27 -0.680 9.547 -2.672 No H/Q in entry = 9 In of MODEL 28 1 H VAL 28 H VAL 28 -5.091 1.994 -0.624 2 HA VAL 28 HA VAL 28 -5.945 0.233 -2.829 3 HB VAL 28 HB VAL 28 -6.597 -0.383 0.034 4 HG11 VAL 28 HG11 VAL 28 -7.745 -1.594 -1.751 5 HG12 VAL 28 HG12 VAL 28 -6.190 -2.106 -2.403 6 HG13 VAL 28 HG13 VAL 28 -6.709 -2.668 -0.813 7 HG21 VAL 28 HG21 VAL 28 -4.027 -1.102 -1.365 8 HG22 VAL 28 HG22 VAL 28 -4.209 -0.159 0.117 9 HG23 VAL 28 HG23 VAL 28 -4.612 -1.880 0.109 No H/Q in entry = 9 In of MODEL 28 1 H SER 29 H SER 29 -7.703 1.132 -3.698 2 HA SER 29 HA SER 29 -9.858 2.017 -1.937 3 HB2 SER 29 HB2 SER 29 -8.693 3.790 -4.095 4 HB3 SER 29 HB3 SER 29 -10.073 4.174 -3.064 5 HG SER 29 HG SER 29 -7.972 3.436 -1.559 No H/Q in entry = 5 In of MODEL 28 1 H GLY 30 H GLY 30 -11.783 2.796 -3.389 2 HA2 GLY 30 HA2 GLY 30 -11.980 1.257 -5.860 3 HA3 GLY 30 HA3 GLY 30 -13.155 2.423 -5.267 No H/Q in entry = 3 In of MODEL 28 1 H PHE 31 H PHE 31 -12.964 1.122 -2.562 2 HA PHE 31 HA PHE 31 -14.495 -1.317 -3.161 3 HB2 PHE 31 HB2 PHE 31 -13.486 -2.354 -1.177 4 HB3 PHE 31 HB3 PHE 31 -12.226 -1.819 -2.310 5 HD1 PHE 31 HD1 PHE 31 -10.804 0.067 -1.788 6 HD2 PHE 31 HD2 PHE 31 -13.777 -1.244 0.951 7 HE1 PHE 31 HE1 PHE 31 -9.753 1.398 -0.012 8 HE2 PHE 31 HE2 PHE 31 -12.722 0.077 2.735 9 HZ PHE 31 HZ PHE 31 -10.710 1.401 2.246 No H/Q in entry = 9 In of MODEL 28 1 H HIS 32 H HIS 32 -15.418 -2.103 -0.897 2 HA HIS 32 HA HIS 32 -16.370 -0.098 0.886 3 HB2 HIS 32 HB2 HIS 32 -18.024 0.411 -0.854 4 HB3 HIS 32 HB3 HIS 32 -18.393 -1.296 -1.077 5 HD2 HIS 32 HD2 HIS 32 -20.187 -2.377 0.691 6 HE1 HIS 32 HE1 HIS 32 -21.007 1.256 2.696 7 HE2 HIS 32 HE2 HIS 32 -21.860 -1.077 2.186 No H/Q in entry = 7 In of MODEL 28 1 HA PRO 33 HA PRO 33 -18.310 -0.406 2.756 2 HB2 PRO 33 HB2 PRO 33 -17.590 -0.770 5.340 3 HB3 PRO 33 HB3 PRO 33 -18.958 -1.603 4.594 4 HG2 PRO 33 HG2 PRO 33 -16.167 -2.591 5.050 5 HG3 PRO 33 HG3 PRO 33 -17.707 -3.413 5.364 6 HD2 PRO 33 HD2 PRO 33 -16.269 -3.938 3.168 7 HD3 PRO 33 HD3 PRO 33 -18.044 -3.915 3.130 No H/Q in entry = 7 In of MODEL 28 1 H SER 34 H SER 34 -17.466 1.163 4.527 2 HA SER 34 HA SER 34 -15.211 2.497 3.487 3 HB2 SER 34 HB2 SER 34 -15.547 4.050 5.440 4 HB3 SER 34 HB3 SER 34 -17.002 3.747 4.481 5 HG SER 34 HG SER 34 -16.338 2.812 7.053 No H/Q in entry = 5 In of MODEL 28 1 H ASP 35 H ASP 35 -14.276 -0.075 4.295 2 HA ASP 35 HA ASP 35 -11.915 0.808 5.617 3 HB2 ASP 35 HB2 ASP 35 -11.987 -0.270 7.685 4 HB3 ASP 35 HB3 ASP 35 -13.632 0.338 7.539 No H/Q in entry = 4 In of MODEL 28 1 H ILE 36 H ILE 36 -10.232 -0.402 5.056 2 HA ILE 36 HA ILE 36 -10.570 -3.254 4.482 3 HB ILE 36 HB ILE 36 -10.469 -1.916 2.268 4 HG12 ILE 36 HG12 ILE 36 -8.618 -4.153 3.042 5 HG13 ILE 36 HG13 ILE 36 -10.070 -4.216 2.052 6 HG21 ILE 36 HG21 ILE 36 -7.649 -1.548 3.262 7 HG22 ILE 36 HG22 ILE 36 -8.140 -1.311 1.581 8 HG23 ILE 36 HG23 ILE 36 -8.802 -0.278 2.848 9 HD11 ILE 36 HD11 ILE 36 -7.459 -2.968 1.206 10 HD12 ILE 36 HD12 ILE 36 -7.997 -4.588 0.769 11 HD13 ILE 36 HD13 ILE 36 -8.895 -3.178 0.205 No H/Q in entry = 11 In of MODEL 28 1 H GLU 37 H GLU 37 -8.559 -4.444 4.928 2 HA GLU 37 HA GLU 37 -6.655 -2.843 6.454 3 HB2 GLU 37 HB2 GLU 37 -7.902 -4.791 7.543 4 HB3 GLU 37 HB3 GLU 37 -6.995 -5.832 6.463 5 HG2 GLU 37 HG2 GLU 37 -4.910 -5.091 7.450 6 HG3 GLU 37 HG3 GLU 37 -5.790 -4.008 8.523 No H/Q in entry = 6 In of MODEL 28 1 H VAL 38 H VAL 38 -4.791 -2.495 5.525 2 HA VAL 38 HA VAL 38 -3.723 -4.475 3.670 3 HB VAL 38 HB VAL 38 -4.008 -3.129 1.926 4 HG11 VAL 38 HG11 VAL 38 -5.751 -1.953 3.086 5 HG12 VAL 38 HG12 VAL 38 -4.572 -0.867 3.818 6 HG13 VAL 38 HG13 VAL 38 -4.834 -0.837 2.072 7 HG21 VAL 38 HG21 VAL 38 -2.038 -1.302 3.300 8 HG22 VAL 38 HG22 VAL 38 -1.651 -2.636 2.216 9 HG23 VAL 38 HG23 VAL 38 -2.486 -1.209 1.595 No H/Q in entry = 9 In of MODEL 28 1 H ASP 39 H ASP 39 -1.584 -4.788 3.758 2 HA ASP 39 HA ASP 39 -0.122 -3.331 5.856 3 HB2 ASP 39 HB2 ASP 39 0.019 -5.172 7.134 4 HB3 ASP 39 HB3 ASP 39 -1.013 -6.020 5.991 No H/Q in entry = 4 In of MODEL 28 1 H LEU 40 H LEU 40 2.164 -3.406 5.655 2 HA LEU 40 HA LEU 40 2.991 -3.638 2.845 3 HB2 LEU 40 HB2 LEU 40 4.408 -2.059 4.978 4 HB3 LEU 40 HB3 LEU 40 4.623 -1.960 3.243 5 HG LEU 40 HG LEU 40 2.205 -1.035 4.786 6 HD11 LEU 40 HD11 LEU 40 4.356 0.474 3.313 7 HD12 LEU 40 HD12 LEU 40 2.913 1.192 4.031 8 HD13 LEU 40 HD13 LEU 40 4.122 0.422 5.062 9 HD21 LEU 40 HD21 LEU 40 2.775 -0.996 1.835 10 HD22 LEU 40 HD22 LEU 40 1.460 -1.837 2.660 11 HD23 LEU 40 HD23 LEU 40 1.494 -0.070 2.618 No H/Q in entry = 11 In of MODEL 28 1 H LEU 41 H LEU 41 4.739 -4.816 2.287 2 HA LEU 41 HA LEU 41 5.845 -6.522 4.413 3 HB2 LEU 41 HB2 LEU 41 5.699 -7.292 1.531 4 HB3 LEU 41 HB3 LEU 41 5.999 -8.311 2.907 5 HG LEU 41 HG LEU 41 3.362 -6.958 2.393 6 HD11 LEU 41 HD11 LEU 41 3.885 -8.549 0.616 7 HD12 LEU 41 HD12 LEU 41 4.224 -9.791 1.821 8 HD13 LEU 41 HD13 LEU 41 2.590 -9.152 1.647 9 HD21 LEU 41 HD21 LEU 41 4.200 -9.152 4.283 10 HD22 LEU 41 HD22 LEU 41 3.808 -7.491 4.727 11 HD23 LEU 41 HD23 LEU 41 2.557 -8.546 4.071 No H/Q in entry = 11 In of MODEL 28 1 H LYS 42 H LYS 42 7.732 -7.749 3.428 2 HA LYS 42 HA LYS 42 9.649 -6.186 1.955 3 HB2 LYS 42 HB2 LYS 42 10.093 -6.825 4.855 4 HB3 LYS 42 HB3 LYS 42 11.434 -6.605 3.744 5 HG2 LYS 42 HG2 LYS 42 10.916 -4.357 3.387 6 HG3 LYS 42 HG3 LYS 42 9.299 -4.522 4.081 7 HD2 LYS 42 HD2 LYS 42 10.328 -4.950 6.295 8 HD3 LYS 42 HD3 LYS 42 11.929 -4.777 5.561 9 HE2 LYS 42 HE2 LYS 42 11.436 -2.465 5.003 10 HE3 LYS 42 HE3 LYS 42 9.811 -2.633 5.665 11 HZ1 LYS 42 HZ1 LYS 42 10.795 -3.056 7.844 12 HZ2 LYS 42 HZ2 LYS 42 12.347 -2.859 7.192 13 HZ3 LYS 42 HZ3 LYS 42 11.277 -1.549 7.229 No H/Q in entry = 13 In of MODEL 28 1 H ASN 43 H ASN 43 9.911 -7.736 0.461 2 HA ASN 43 HA ASN 43 10.476 -9.686 -0.544 3 HB2 ASN 43 HB2 ASN 43 11.873 -10.073 2.084 4 HB3 ASN 43 HB3 ASN 43 11.886 -11.339 0.865 5 HD21 ASN 43 HD21 ASN 43 14.056 -9.745 1.986 6 HD22 ASN 43 HD22 ASN 43 14.829 -8.985 0.633 No H/Q in entry = 6 In of MODEL 28 1 H GLY 44 H GLY 44 8.626 -9.739 2.314 2 HA2 GLY 44 HA2 GLY 44 7.821 -12.513 2.066 3 HA3 GLY 44 HA3 GLY 44 6.621 -11.326 1.561 No H/Q in entry = 3 In of MODEL 28 1 H GLU 45 H GLU 45 8.371 -9.900 3.961 2 HA GLU 45 HA GLU 45 6.855 -11.144 6.136 3 HB2 GLU 45 HB2 GLU 45 9.263 -9.363 6.241 4 HB3 GLU 45 HB3 GLU 45 8.611 -10.328 7.561 5 HG2 GLU 45 HG2 GLU 45 9.719 -11.423 5.005 6 HG3 GLU 45 HG3 GLU 45 10.622 -11.247 6.485 No H/Q in entry = 6 In of MODEL 28 1 H ARG 46 H ARG 46 5.703 -9.927 7.578 2 HA ARG 46 HA ARG 46 4.551 -7.535 6.612 3 HB2 ARG 46 HB2 ARG 46 3.329 -9.195 7.946 4 HB3 ARG 46 HB3 ARG 46 4.387 -8.880 9.316 5 HG2 ARG 46 HG2 ARG 46 3.478 -6.712 9.639 6 HG3 ARG 46 HG3 ARG 46 2.632 -6.760 8.093 7 HD2 ARG 46 HD2 ARG 46 1.069 -8.377 8.893 8 HD3 ARG 46 HD3 ARG 46 2.042 -8.682 10.338 9 HE ARG 46 HE ARG 46 1.459 -6.204 10.821 10 HH11 ARG 46 HH11 ARG 46 -0.610 -8.548 9.269 11 HH12 ARG 46 HH12 ARG 46 -2.086 -7.816 9.810 12 HH21 ARG 46 HH21 ARG 46 -0.476 -5.246 11.588 13 HH22 ARG 46 HH22 ARG 46 -2.013 -5.945 11.152 No H/Q in entry = 13 In of MODEL 28 1 H ILE 47 H ILE 47 4.896 -5.455 7.099 2 HA ILE 47 HA ILE 47 7.108 -4.771 8.890 3 HB ILE 47 HB ILE 47 5.505 -2.989 7.039 4 HG12 ILE 47 HG12 ILE 47 8.322 -4.000 6.683 5 HG13 ILE 47 HG13 ILE 47 6.924 -4.747 5.911 6 HG21 ILE 47 HG21 ILE 47 8.035 -2.465 8.598 7 HG22 ILE 47 HG22 ILE 47 7.321 -1.364 7.417 8 HG23 ILE 47 HG23 ILE 47 6.449 -1.755 8.901 9 HD11 ILE 47 HD11 ILE 47 6.451 -2.642 4.761 10 HD12 ILE 47 HD12 ILE 47 7.868 -1.916 5.519 11 HD13 ILE 47 HD13 ILE 47 8.063 -3.252 4.383 No H/Q in entry = 11 In of MODEL 28 1 H GLU 48 H GLU 48 6.820 -3.630 10.740 2 HA GLU 48 HA GLU 48 4.059 -3.489 11.662 3 HB2 GLU 48 HB2 GLU 48 5.252 -3.110 13.932 4 HB3 GLU 48 HB3 GLU 48 5.212 -4.720 13.232 5 HG2 GLU 48 HG2 GLU 48 7.519 -2.831 13.032 6 HG3 GLU 48 HG3 GLU 48 7.370 -4.055 14.266 No H/Q in entry = 6 In of MODEL 28 1 H LYS 49 H LYS 49 6.909 -1.381 11.343 2 HA LYS 49 HA LYS 49 5.959 0.876 12.584 3 HB2 LYS 49 HB2 LYS 49 7.625 0.894 10.077 4 HB3 LYS 49 HB3 LYS 49 7.613 2.092 11.367 5 HG2 LYS 49 HG2 LYS 49 8.234 -0.232 12.692 6 HG3 LYS 49 HG3 LYS 49 9.077 -0.401 11.143 7 HD2 LYS 49 HD2 LYS 49 10.218 1.665 11.460 8 HD3 LYS 49 HD3 LYS 49 9.275 2.021 12.908 9 HE2 LYS 49 HE2 LYS 49 11.568 1.193 13.386 10 HE3 LYS 49 HE3 LYS 49 10.294 0.197 14.088 11 HZ1 LYS 49 HZ1 LYS 49 11.447 -0.485 11.456 12 HZ2 LYS 49 HZ2 LYS 49 12.238 -0.944 12.885 13 HZ3 LYS 49 HZ3 LYS 49 10.665 -1.492 12.572 No H/Q in entry = 13 In of MODEL 28 1 H VAL 50 H VAL 50 4.536 -0.514 9.905 2 HA VAL 50 HA VAL 50 3.865 1.640 8.273 3 HB VAL 50 HB VAL 50 2.214 -0.813 8.874 4 HG11 VAL 50 HG11 VAL 50 0.946 1.005 7.766 5 HG12 VAL 50 HG12 VAL 50 2.148 1.008 6.466 6 HG13 VAL 50 HG13 VAL 50 1.147 -0.419 6.733 7 HG21 VAL 50 HG21 VAL 50 4.484 -1.335 8.141 8 HG22 VAL 50 HG22 VAL 50 3.296 -1.768 6.916 9 HG23 VAL 50 HG23 VAL 50 4.264 -0.311 6.721 No H/Q in entry = 9 In of MODEL 28 1 H GLU 51 H GLU 51 2.379 3.211 8.331 2 HA GLU 51 HA GLU 51 0.358 3.160 10.465 3 HB2 GLU 51 HB2 GLU 51 1.906 5.604 9.568 4 HB3 GLU 51 HB3 GLU 51 0.594 5.586 10.738 5 HG2 GLU 51 HG2 GLU 51 1.928 4.267 12.263 6 HG3 GLU 51 HG3 GLU 51 3.239 4.197 11.084 No H/Q in entry = 6 In of MODEL 28 1 H HIS 52 H HIS 52 -1.595 4.074 9.934 2 HA HIS 52 HA HIS 52 -1.968 4.788 7.108 3 HB2 HIS 52 HB2 HIS 52 -4.361 4.166 7.373 4 HB3 HIS 52 HB3 HIS 52 -3.249 2.820 7.573 5 HD2 HIS 52 HD2 HIS 52 -2.769 2.367 10.515 6 HE1 HIS 52 HE1 HIS 52 -6.802 3.409 11.253 7 HE2 HIS 52 HE2 HIS 52 -4.674 2.488 12.274 No H/Q in entry = 7 In of MODEL 28 1 H SER 53 H SER 53 -2.679 6.702 6.583 2 HA SER 53 HA SER 53 -2.895 8.716 8.641 3 HB2 SER 53 HB2 SER 53 -1.692 9.054 6.426 4 HB3 SER 53 HB3 SER 53 -3.265 9.001 5.633 5 HG SER 53 HG SER 53 -2.057 11.035 6.988 No H/Q in entry = 5 In of MODEL 28 1 H ASP 54 H ASP 54 -4.665 10.464 8.192 2 HA ASP 54 HA ASP 54 -7.132 9.574 8.988 3 HB2 ASP 54 HB2 ASP 54 -6.553 11.898 9.159 4 HB3 ASP 54 HB3 ASP 54 -6.388 12.041 7.413 No H/Q in entry = 4 In of MODEL 28 1 H LEU 55 H LEU 55 -8.865 8.754 8.112 2 HA LEU 55 HA LEU 55 -8.758 7.162 5.900 3 HB2 LEU 55 HB2 LEU 55 -10.541 7.423 7.862 4 HB3 LEU 55 HB3 LEU 55 -11.439 8.245 6.609 5 HG LEU 55 HG LEU 55 -12.085 5.887 6.843 6 HD11 LEU 55 HD11 LEU 55 -12.350 6.960 4.676 7 HD12 LEU 55 HD12 LEU 55 -10.718 6.472 4.225 8 HD13 LEU 55 HD13 LEU 55 -11.960 5.249 4.499 9 HD21 LEU 55 HD21 LEU 55 -9.249 5.313 6.007 10 HD22 LEU 55 HD22 LEU 55 -9.972 4.966 7.578 11 HD23 LEU 55 HD23 LEU 55 -10.541 4.119 6.140 No H/Q in entry = 11 In of MODEL 28 1 H SER 56 H SER 56 -11.449 9.358 5.602 2 HA SER 56 HA SER 56 -10.668 11.008 3.523 3 HB2 SER 56 HB2 SER 56 -10.199 8.775 2.387 4 HB3 SER 56 HB3 SER 56 -11.936 8.480 2.431 5 HG SER 56 HG SER 56 -10.549 10.561 1.080 No H/Q in entry = 5 In of MODEL 28 1 H PHE 57 H PHE 57 -12.459 12.104 2.587 2 HA PHE 57 HA PHE 57 -15.005 11.598 3.958 3 HB2 PHE 57 HB2 PHE 57 -15.560 13.947 3.432 4 HB3 PHE 57 HB3 PHE 57 -14.085 13.815 4.380 5 HD1 PHE 57 HD1 PHE 57 -11.865 14.047 3.188 6 HD2 PHE 57 HD2 PHE 57 -15.582 15.044 1.368 7 HE1 PHE 57 HE1 PHE 57 -10.679 15.418 1.529 8 HE2 PHE 57 HE2 PHE 57 -14.400 16.416 -0.298 9 HZ PHE 57 HZ PHE 57 -11.947 16.603 -0.219 No H/Q in entry = 9 In of MODEL 28 1 H SER 58 H SER 58 -16.962 11.681 2.791 2 HA SER 58 HA SER 58 -16.899 10.451 0.248 3 HB2 SER 58 HB2 SER 58 -18.768 10.135 1.817 4 HB3 SER 58 HB3 SER 58 -19.199 11.837 1.654 5 HG SER 58 HG SER 58 -19.942 9.782 0.116 No H/Q in entry = 5 In of MODEL 28 1 H LYS 59 H LYS 59 -17.525 11.249 -1.778 2 HA LYS 59 HA LYS 59 -17.599 14.132 -2.180 3 HB2 LYS 59 HB2 LYS 59 -15.512 12.391 -3.541 4 HB3 LYS 59 HB3 LYS 59 -15.724 14.122 -3.749 5 HG2 LYS 59 HG2 LYS 59 -14.886 14.577 -1.589 6 HG3 LYS 59 HG3 LYS 59 -14.982 12.879 -1.118 7 HD2 LYS 59 HD2 LYS 59 -13.152 14.022 -3.231 8 HD3 LYS 59 HD3 LYS 59 -12.674 13.547 -1.600 9 HE2 LYS 59 HE2 LYS 59 -13.831 11.707 -3.695 10 HE3 LYS 59 HE3 LYS 59 -12.125 11.825 -3.268 11 HZ1 LYS 59 HZ1 LYS 59 -14.270 11.059 -1.361 12 HZ2 LYS 59 HZ2 LYS 59 -13.298 9.947 -2.194 13 HZ3 LYS 59 HZ3 LYS 59 -12.603 11.020 -1.081 No H/Q in entry = 13 In of MODEL 28 1 H ASP 60 H ASP 60 -16.592 12.881 -5.056 2 HA ASP 60 HA ASP 60 -19.173 11.619 -5.701 3 HB2 ASP 60 HB2 ASP 60 -18.750 13.650 -7.039 4 HB3 ASP 60 HB3 ASP 60 -17.212 12.973 -7.571 No H/Q in entry = 4 In of MODEL 28 1 H TRP 61 H TRP 61 -15.677 11.557 -6.110 2 HA TRP 61 HA TRP 61 -15.610 8.894 -7.157 3 HB2 TRP 61 HB2 TRP 61 -13.438 10.581 -5.894 4 HB3 TRP 61 HB3 TRP 61 -13.171 9.017 -6.654 5 HD1 TRP 61 HD1 TRP 61 -14.623 9.242 -9.345 6 HE1 TRP 61 HE1 TRP 61 -13.891 10.939 -11.142 7 HE3 TRP 61 HE3 TRP 61 -12.137 12.556 -6.351 8 HZ2 TRP 61 HZ2 TRP 61 -12.441 13.357 -11.263 9 HZ3 TRP 61 HZ3 TRP 61 -11.098 14.532 -7.368 10 HH2 TRP 61 HH2 TRP 61 -11.249 14.928 -9.809 No H/Q in entry = 10 In of MODEL 28 1 H SER 62 H SER 62 -14.163 7.266 -5.901 2 HA SER 62 HA SER 62 -15.631 6.500 -3.614 3 HB2 SER 62 HB2 SER 62 -13.099 5.484 -4.902 4 HB3 SER 62 HB3 SER 62 -13.775 4.733 -3.449 5 HG SER 62 HG SER 62 -15.434 3.985 -4.582 No H/Q in entry = 5 In of MODEL 28 1 H PHE 63 H PHE 63 -14.322 5.677 -1.642 2 HA PHE 63 HA PHE 63 -12.939 7.961 -0.474 3 HB2 PHE 63 HB2 PHE 63 -13.558 5.328 0.883 4 HB3 PHE 63 HB3 PHE 63 -13.251 6.886 1.638 5 HD1 PHE 63 HD1 PHE 63 -15.704 4.997 -0.395 6 HD2 PHE 63 HD2 PHE 63 -15.030 8.352 2.144 7 HE1 PHE 63 HE1 PHE 63 -18.134 5.369 -0.247 8 HE2 PHE 63 HE2 PHE 63 -17.466 8.728 2.291 9 HZ PHE 63 HZ PHE 63 -19.010 7.236 1.091 No H/Q in entry = 9 In of MODEL 28 1 H TYR 64 H TYR 64 -10.847 7.839 0.334 2 HA TYR 64 HA TYR 64 -9.260 5.648 -0.827 3 HB2 TYR 64 HB2 TYR 64 -8.271 8.410 -0.083 4 HB3 TYR 64 HB3 TYR 64 -7.439 7.210 -1.062 5 HD1 TYR 64 HD1 TYR 64 -8.347 6.680 -3.366 6 HD2 TYR 64 HD2 TYR 64 -9.752 9.959 -1.046 7 HE1 TYR 64 HE1 TYR 64 -9.286 7.712 -5.396 8 HE2 TYR 64 HE2 TYR 64 -10.693 10.995 -3.065 9 HH TYR 64 HH TYR 64 -10.870 9.306 -6.096 No H/Q in entry = 9 In of MODEL 28 1 H LEU 65 H LEU 65 -7.715 4.650 0.455 2 HA LEU 65 HA LEU 65 -7.297 5.696 3.151 3 HB2 LEU 65 HB2 LEU 65 -8.856 4.043 3.633 4 HB3 LEU 65 HB3 LEU 65 -8.239 2.950 2.410 5 HG LEU 65 HG LEU 65 -6.450 3.538 4.717 6 HD11 LEU 65 HD11 LEU 65 -8.828 3.248 5.585 7 HD12 LEU 65 HD12 LEU 65 -8.721 1.595 4.983 8 HD13 LEU 65 HD13 LEU 65 -7.604 2.154 6.224 9 HD21 LEU 65 HD21 LEU 65 -5.798 2.033 2.890 10 HD22 LEU 65 HD22 LEU 65 -5.936 1.173 4.423 11 HD23 LEU 65 HD23 LEU 65 -7.215 1.034 3.217 No H/Q in entry = 11 In of MODEL 28 1 H LEU 66 H LEU 66 -5.239 5.670 3.796 2 HA LEU 66 HA LEU 66 -3.327 4.677 1.795 3 HB2 LEU 66 HB2 LEU 66 -3.833 7.240 2.244 4 HB3 LEU 66 HB3 LEU 66 -2.705 6.994 3.545 5 HG LEU 66 HG LEU 66 -2.107 6.497 0.644 6 HD11 LEU 66 HD11 LEU 66 -2.386 8.883 1.159 7 HD12 LEU 66 HD12 LEU 66 -1.194 8.732 2.449 8 HD13 LEU 66 HD13 LEU 66 -0.713 8.486 0.773 9 HD21 LEU 66 HD21 LEU 66 -0.348 6.396 3.073 10 HD22 LEU 66 HD22 LEU 66 -0.793 5.050 2.026 11 HD23 LEU 66 HD23 LEU 66 0.230 6.348 1.410 No H/Q in entry = 11 In of MODEL 28 1 H TYR 67 H TYR 67 -1.879 3.280 2.492 2 HA TYR 67 HA TYR 67 -1.143 3.230 5.343 3 HB2 TYR 67 HB2 TYR 67 -1.712 1.030 3.438 4 HB3 TYR 67 HB3 TYR 67 -0.390 0.793 4.570 5 HD1 TYR 67 HD1 TYR 67 -4.021 1.015 4.197 6 HD2 TYR 67 HD2 TYR 67 -0.818 0.649 6.975 7 HE1 TYR 67 HE1 TYR 67 -5.580 0.197 5.891 8 HE2 TYR 67 HE2 TYR 67 -2.392 -0.151 8.690 9 HH TYR 67 HH TYR 67 -4.705 -0.129 9.213 No H/Q in entry = 9 In of MODEL 28 1 H TYR 68 H TYR 68 0.841 3.916 5.713 2 HA TYR 68 HA TYR 68 2.864 3.461 3.632 3 HB2 TYR 68 HB2 TYR 68 3.642 5.787 3.753 4 HB3 TYR 68 HB3 TYR 68 1.966 5.709 3.203 5 HD1 TYR 68 HD1 TYR 68 4.224 6.781 5.870 6 HD2 TYR 68 HD2 TYR 68 0.163 6.557 4.621 7 HE1 TYR 68 HE1 TYR 68 3.614 8.432 7.583 8 HE2 TYR 68 HE2 TYR 68 -0.463 8.206 6.334 9 HH TYR 68 HH TYR 68 1.879 10.030 8.060 No H/Q in entry = 9 In of MODEL 28 1 H THR 69 H THR 69 5.063 3.971 4.318 2 HA THR 69 HA THR 69 5.587 4.100 7.167 3 HB THR 69 HB THR 69 5.177 1.663 6.802 4 HG1 THR 69 HG1 THR 69 7.945 2.091 7.295 5 HG21 THR 69 HG21 THR 69 7.558 1.888 4.955 6 HG22 THR 69 HG22 THR 69 6.885 0.369 5.547 7 HG23 THR 69 HG23 THR 69 5.917 1.420 4.512 No H/Q in entry = 7 In of MODEL 28 1 H GLU 70 H GLU 70 7.763 4.532 7.626 2 HA GLU 70 HA GLU 70 9.273 5.696 5.435 3 HB2 GLU 70 HB2 GLU 70 9.036 6.893 7.601 4 HB3 GLU 70 HB3 GLU 70 9.868 5.574 8.408 5 HG2 GLU 70 HG2 GLU 70 11.206 7.073 6.195 6 HG3 GLU 70 HG3 GLU 70 11.156 7.732 7.829 No H/Q in entry = 6 In of MODEL 28 1 H PHE 71 H PHE 71 11.016 4.800 4.496 2 HA PHE 71 HA PHE 71 12.212 2.417 5.638 3 HB2 PHE 71 HB2 PHE 71 11.789 1.003 3.710 4 HB3 PHE 71 HB3 PHE 71 10.259 1.572 4.359 5 HD1 PHE 71 HD1 PHE 71 10.409 4.359 3.095 6 HD2 PHE 71 HD2 PHE 71 11.042 0.454 1.550 7 HE1 PHE 71 HE1 PHE 71 9.755 5.141 0.846 8 HE2 PHE 71 HE2 PHE 71 10.395 1.225 -0.699 9 HZ PHE 71 HZ PHE 71 9.764 3.577 -1.060 No H/Q in entry = 9 In of MODEL 28 1 H THR 72 H THR 72 14.211 1.809 4.582 2 HA THR 72 HA THR 72 15.285 3.907 2.814 3 HB THR 72 HB THR 72 16.920 2.035 4.527 4 HG1 THR 72 HG1 THR 72 15.398 3.581 5.638 5 HG21 THR 72 HG21 THR 72 17.571 4.661 3.159 6 HG22 THR 72 HG22 THR 72 18.668 3.748 4.197 7 HG23 THR 72 HG23 THR 72 18.131 3.061 2.665 No H/Q in entry = 7 In of MODEL 28 1 HA PRO 73 HA PRO 73 14.782 0.224 0.003 2 HB2 PRO 73 HB2 PRO 73 15.439 1.960 -2.141 3 HB3 PRO 73 HB3 PRO 73 13.816 1.423 -1.675 4 HG2 PRO 73 HG2 PRO 73 15.242 3.960 -1.048 5 HG3 PRO 73 HG3 PRO 73 13.506 3.682 -1.302 6 HD2 PRO 73 HD2 PRO 73 14.508 4.083 1.150 7 HD3 PRO 73 HD3 PRO 73 13.190 2.922 0.872 No H/Q in entry = 7 In of MODEL 28 1 H THR 74 H THR 74 16.269 -1.003 -0.928 2 HA THR 74 HA THR 74 18.926 0.057 -1.499 3 HB THR 74 HB THR 74 20.081 -1.781 -0.475 4 HG1 THR 74 HG1 THR 74 17.453 -2.785 -0.065 5 HG21 THR 74 HG21 THR 74 18.044 -0.705 1.473 6 HG22 THR 74 HG22 THR 74 19.564 -1.484 1.906 7 HG23 THR 74 HG23 THR 74 19.578 0.059 1.048 No H/Q in entry = 7 In of MODEL 28 1 H GLU 75 H GLU 75 20.150 -1.676 -2.836 2 HA GLU 75 HA GLU 75 18.579 -2.510 -5.015 3 HB2 GLU 75 HB2 GLU 75 21.080 -1.962 -4.862 4 HB3 GLU 75 HB3 GLU 75 21.290 -3.590 -4.255 5 HG2 GLU 75 HG2 GLU 75 19.973 -3.062 -6.886 6 HG3 GLU 75 HG3 GLU 75 21.719 -3.135 -6.703 No H/Q in entry = 6 In of MODEL 28 1 H LYS 76 H LYS 76 19.760 -4.151 -2.177 2 HA LYS 76 HA LYS 76 19.188 -6.749 -3.192 3 HB2 LYS 76 HB2 LYS 76 20.331 -5.762 -0.590 4 HB3 LYS 76 HB3 LYS 76 20.018 -7.464 -0.905 5 HG2 LYS 76 HG2 LYS 76 21.932 -5.653 -2.364 6 HG3 LYS 76 HG3 LYS 76 22.306 -7.109 -1.423 7 HD2 LYS 76 HD2 LYS 76 21.019 -8.443 -3.032 8 HD3 LYS 76 HD3 LYS 76 20.712 -6.973 -3.961 9 HE2 LYS 76 HE2 LYS 76 23.161 -6.714 -4.269 10 HE3 LYS 76 HE3 LYS 76 23.400 -8.247 -3.430 11 HZ1 LYS 76 HZ1 LYS 76 22.114 -9.352 -5.163 12 HZ2 LYS 76 HZ2 LYS 76 21.892 -7.875 -5.964 13 HZ3 LYS 76 HZ3 LYS 76 23.445 -8.536 -5.826 No H/Q in entry = 13 In of MODEL 28 1 H ASP 77 H ASP 77 17.553 -4.478 -1.090 2 HA ASP 77 HA ASP 77 15.885 -6.660 -0.061 3 HB2 ASP 77 HB2 ASP 77 15.225 -5.253 1.715 4 HB3 ASP 77 HB3 ASP 77 16.925 -4.895 1.492 No H/Q in entry = 4 In of MODEL 28 1 H GLU 78 H GLU 78 13.451 -5.870 0.307 2 HA GLU 78 HA GLU 78 12.424 -4.414 -1.950 3 HB2 GLU 78 HB2 GLU 78 12.872 -6.498 -3.090 4 HB3 GLU 78 HB3 GLU 78 12.212 -7.431 -1.762 5 HG2 GLU 78 HG2 GLU 78 10.274 -5.624 -3.087 6 HG3 GLU 78 HG3 GLU 78 10.913 -6.932 -4.079 No H/Q in entry = 6 In of MODEL 28 1 H TYR 79 H TYR 79 10.238 -3.908 -1.672 2 HA TYR 79 HA TYR 79 9.009 -4.772 0.827 3 HB2 TYR 79 HB2 TYR 79 8.681 -2.023 -0.404 4 HB3 TYR 79 HB3 TYR 79 8.114 -2.567 1.171 5 HD1 TYR 79 HD1 TYR 79 9.348 -2.048 3.041 6 HD2 TYR 79 HD2 TYR 79 11.312 -2.125 -0.733 7 HE1 TYR 79 HE1 TYR 79 11.392 -1.185 4.087 8 HE2 TYR 79 HE2 TYR 79 13.366 -1.277 0.315 9 HH TYR 79 HH TYR 79 14.229 -0.349 2.169 No H/Q in entry = 9 In of MODEL 28 1 H ALA 80 H ALA 80 6.697 -4.870 0.813 2 HA ALA 80 HA ALA 80 5.508 -4.906 -1.874 3 HB1 ALA 80 HB1 ALA 80 6.341 -7.208 -1.131 4 HB2 ALA 80 HB2 ALA 80 4.681 -7.080 -1.715 5 HB3 ALA 80 HB3 ALA 80 5.004 -7.173 0.013 No H/Q in entry = 5 In of MODEL 28 1 H CYS 81 H CYS 81 3.119 -5.059 -1.829 2 HA CYS 81 HA CYS 81 2.007 -3.925 0.654 3 HB2 CYS 81 HB2 CYS 81 1.585 -3.283 -2.219 4 HB3 CYS 81 HB3 CYS 81 0.169 -3.237 -1.177 No H/Q in entry = 4 In of MODEL 28 1 H ARG 82 H ARG 82 0.396 -5.071 1.607 2 HA ARG 82 HA ARG 82 -0.844 -7.294 0.088 3 HB2 ARG 82 HB2 ARG 82 0.671 -7.838 2.124 4 HB3 ARG 82 HB3 ARG 82 -0.634 -7.153 3.086 5 HG2 ARG 82 HG2 ARG 82 -2.126 -8.835 1.815 6 HG3 ARG 82 HG3 ARG 82 -0.604 -9.656 1.464 7 HD2 ARG 82 HD2 ARG 82 -1.803 -9.043 4.152 8 HD3 ARG 82 HD3 ARG 82 -1.502 -10.630 3.447 9 HE ARG 82 HE ARG 82 0.642 -8.769 4.284 10 HH11 ARG 82 HH11 ARG 82 -0.675 -12.016 3.978 11 HH12 ARG 82 HH12 ARG 82 0.599 -12.752 4.909 12 HH21 ARG 82 HH21 ARG 82 2.309 -9.755 5.496 13 HH22 ARG 82 HH22 ARG 82 2.293 -11.472 5.755 No H/Q in entry = 13 In of MODEL 28 1 H VAL 83 H VAL 83 -3.099 -7.353 0.092 2 HA VAL 83 HA VAL 83 -4.433 -5.678 2.108 3 HB VAL 83 HB VAL 83 -5.939 -4.662 0.693 4 HG11 VAL 83 HG11 VAL 83 -3.360 -4.805 -0.805 5 HG12 VAL 83 HG12 VAL 83 -4.636 -3.622 -1.095 6 HG13 VAL 83 HG13 VAL 83 -3.806 -3.665 0.462 7 HG21 VAL 83 HG21 VAL 83 -6.650 -6.610 -0.571 8 HG22 VAL 83 HG22 VAL 83 -6.327 -5.245 -1.641 9 HG23 VAL 83 HG23 VAL 83 -5.156 -6.557 -1.509 No H/Q in entry = 9 In of MODEL 28 1 H ASN 84 H ASN 84 -6.263 -6.406 2.918 2 HA ASN 84 HA ASN 84 -7.167 -9.068 2.083 3 HB2 ASN 84 HB2 ASN 84 -7.234 -7.866 4.874 4 HB3 ASN 84 HB3 ASN 84 -7.735 -9.485 4.444 5 HD21 ASN 84 HD21 ASN 84 -4.980 -7.344 4.670 6 HD22 ASN 84 HD22 ASN 84 -3.791 -8.587 4.842 No H/Q in entry = 6 In of MODEL 28 1 H HIS 85 H HIS 85 -9.197 -9.080 1.255 2 HA HIS 85 HA HIS 85 -11.248 -7.642 2.723 3 HB2 HIS 85 HB2 HIS 85 -10.330 -6.268 0.667 4 HB3 HIS 85 HB3 HIS 85 -11.324 -7.391 -0.258 5 HD2 HIS 85 HD2 HIS 85 -11.845 -4.795 2.668 6 HE1 HIS 85 HE1 HIS 85 -15.424 -5.249 0.447 7 HE2 HIS 85 HE2 HIS 85 -14.217 -3.852 2.181 No H/Q in entry = 7 In of MODEL 28 1 H VAL 86 H VAL 86 -13.479 -8.362 1.877 2 HA VAL 86 HA VAL 86 -13.456 -11.191 1.953 3 HB VAL 86 HB VAL 86 -15.882 -11.085 1.694 4 HG11 VAL 86 HG11 VAL 86 -14.751 -8.993 3.540 5 HG12 VAL 86 HG12 VAL 86 -16.384 -9.652 3.644 6 HG13 VAL 86 HG13 VAL 86 -14.991 -10.706 3.894 7 HG21 VAL 86 HG21 VAL 86 -15.959 -9.276 0.011 8 HG22 VAL 86 HG22 VAL 86 -17.062 -9.001 1.361 9 HG23 VAL 86 HG23 VAL 86 -15.540 -8.117 1.273 No H/Q in entry = 9 In of MODEL 28 1 H THR 87 H THR 87 -13.407 -8.912 -0.668 2 HA THR 87 HA THR 87 -14.684 -10.571 -2.588 3 HB THR 87 HB THR 87 -13.998 -8.930 -4.222 4 HG1 THR 87 HG1 THR 87 -11.877 -8.523 -3.670 5 HG21 THR 87 HG21 THR 87 -15.796 -8.288 -2.628 6 HG22 THR 87 HG22 THR 87 -14.580 -7.474 -1.645 7 HG23 THR 87 HG23 THR 87 -14.910 -6.908 -3.281 No H/Q in entry = 7 In of MODEL 28 1 H LEU 88 H LEU 88 -11.334 -9.884 -1.764 2 HA LEU 88 HA LEU 88 -10.264 -11.340 -3.975 3 HB2 LEU 88 HB2 LEU 88 -8.960 -10.362 -1.426 4 HB3 LEU 88 HB3 LEU 88 -8.090 -11.091 -2.760 5 HG LEU 88 HG LEU 88 -9.561 -8.458 -2.766 6 HD11 LEU 88 HD11 LEU 88 -7.336 -8.433 -1.732 7 HD12 LEU 88 HD12 LEU 88 -6.645 -9.132 -3.208 8 HD13 LEU 88 HD13 LEU 88 -7.370 -7.517 -3.246 9 HD21 LEU 88 HD21 LEU 88 -8.244 -9.905 -5.061 10 HD22 LEU 88 HD22 LEU 88 -9.968 -9.569 -4.882 11 HD23 LEU 88 HD23 LEU 88 -8.828 -8.241 -5.102 No H/Q in entry = 11 In of MODEL 28 1 H SER 89 H SER 89 -10.404 -13.476 -4.110 2 HA SER 89 HA SER 89 -11.144 -15.190 -2.027 3 HB2 SER 89 HB2 SER 89 -10.537 -16.999 -3.632 4 HB3 SER 89 HB3 SER 89 -11.534 -15.744 -4.358 5 HG SER 89 HG SER 89 -9.091 -16.574 -5.085 No H/Q in entry = 5 In of MODEL 28 1 H GLN 90 H GLN 90 -8.086 -13.935 -2.971 2 HA GLN 90 HA GLN 90 -6.875 -15.148 -0.613 3 HB2 GLN 90 HB2 GLN 90 -5.265 -14.678 -3.120 4 HB3 GLN 90 HB3 GLN 90 -4.852 -15.672 -1.734 5 HG2 GLN 90 HG2 GLN 90 -6.166 -17.452 -2.466 6 HG3 GLN 90 HG3 GLN 90 -7.109 -16.423 -3.556 7 HE21 GLN 90 HE21 GLN 90 -6.710 -17.718 -5.330 8 HE22 GLN 90 HE22 GLN 90 -5.156 -17.779 -6.096 No H/Q in entry = 8 In of MODEL 28 1 HA PRO 91 HA PRO 91 -6.083 -10.632 -0.006 2 HB2 PRO 91 HB2 PRO 91 -3.717 -11.995 1.275 3 HB3 PRO 91 HB3 PRO 91 -4.576 -10.528 1.793 4 HG2 PRO 91 HG2 PRO 91 -5.153 -12.774 2.993 5 HG3 PRO 91 HG3 PRO 91 -6.487 -11.730 2.424 6 HD2 PRO 91 HD2 PRO 91 -5.408 -14.285 1.241 7 HD3 PRO 91 HD3 PRO 91 -7.106 -13.726 1.331 No H/Q in entry = 7 In of MODEL 28 1 H LYS 92 H LYS 92 -4.535 -9.172 -0.867 2 HA LYS 92 HA LYS 92 -3.216 -10.437 -3.161 3 HB2 LYS 92 HB2 LYS 92 -5.179 -8.974 -3.666 4 HB3 LYS 92 HB3 LYS 92 -4.272 -7.620 -3.001 5 HG2 LYS 92 HG2 LYS 92 -4.062 -7.633 -5.401 6 HG3 LYS 92 HG3 LYS 92 -2.505 -8.025 -4.647 7 HD2 LYS 92 HD2 LYS 92 -2.783 -9.553 -6.434 8 HD3 LYS 92 HD3 LYS 92 -3.088 -10.433 -4.936 9 HE2 LYS 92 HE2 LYS 92 -5.483 -10.241 -5.285 10 HE3 LYS 92 HE3 LYS 92 -5.207 -9.321 -6.765 11 HZ1 LYS 92 HZ1 LYS 92 -4.244 -12.096 -6.325 12 HZ2 LYS 92 HZ2 LYS 92 -5.678 -11.706 -7.148 13 HZ3 LYS 92 HZ3 LYS 92 -4.180 -11.212 -7.772 No H/Q in entry = 13 In of MODEL 28 1 H ILE 93 H ILE 93 -1.095 -10.244 -3.299 2 HA ILE 93 HA ILE 93 0.213 -8.053 -1.837 3 HB ILE 93 HB ILE 93 1.361 -10.720 -2.660 4 HG12 ILE 93 HG12 ILE 93 1.829 -10.844 -0.135 5 HG13 ILE 93 HG13 ILE 93 0.672 -9.536 0.023 6 HG21 ILE 93 HG21 ILE 93 3.006 -8.971 -2.974 7 HG22 ILE 93 HG22 ILE 93 2.737 -8.408 -1.321 8 HG23 ILE 93 HG23 ILE 93 3.440 -10.001 -1.606 9 HD11 ILE 93 HD11 ILE 93 0.104 -12.239 -1.163 10 HD12 ILE 93 HD12 ILE 93 -0.317 -11.716 0.467 11 HD13 ILE 93 HD13 ILE 93 -1.060 -10.936 -0.927 No H/Q in entry = 11 In of MODEL 28 1 H VAL 94 H VAL 94 1.168 -6.571 -3.004 2 HA VAL 94 HA VAL 94 2.134 -7.265 -5.689 3 HB VAL 94 HB VAL 94 0.830 -4.652 -4.884 4 HG11 VAL 94 HG11 VAL 94 2.100 -5.451 -7.502 5 HG12 VAL 94 HG12 VAL 94 1.197 -3.964 -7.210 6 HG13 VAL 94 HG13 VAL 94 2.719 -4.251 -6.367 7 HG21 VAL 94 HG21 VAL 94 -0.756 -6.468 -5.333 8 HG22 VAL 94 HG22 VAL 94 -0.839 -5.212 -6.569 9 HG23 VAL 94 HG23 VAL 94 -0.007 -6.730 -6.908 No H/Q in entry = 9 In of MODEL 28 1 H LYS 95 H LYS 95 4.189 -6.847 -5.979 2 HA LYS 95 HA LYS 95 5.688 -5.885 -3.699 3 HB2 LYS 95 HB2 LYS 95 7.456 -7.017 -4.553 4 HB3 LYS 95 HB3 LYS 95 6.234 -7.795 -5.547 5 HG2 LYS 95 HG2 LYS 95 6.724 -6.347 -7.388 6 HG3 LYS 95 HG3 LYS 95 7.807 -5.377 -6.389 7 HD2 LYS 95 HD2 LYS 95 8.972 -7.733 -6.037 8 HD3 LYS 95 HD3 LYS 95 8.217 -8.058 -7.597 9 HE2 LYS 95 HE2 LYS 95 10.092 -5.786 -6.942 10 HE3 LYS 95 HE3 LYS 95 10.468 -7.212 -7.912 11 HZ1 LYS 95 HZ1 LYS 95 8.442 -5.153 -8.608 12 HZ2 LYS 95 HZ2 LYS 95 9.975 -5.293 -9.314 13 HZ3 LYS 95 HZ3 LYS 95 8.817 -6.514 -9.536 No H/Q in entry = 13 In of MODEL 28 1 H TRP 96 H TRP 96 6.986 -4.034 -3.652 2 HA TRP 96 HA TRP 96 6.004 -1.879 -5.287 3 HB2 TRP 96 HB2 TRP 96 6.477 -1.465 -2.919 4 HB3 TRP 96 HB3 TRP 96 8.159 -1.957 -3.136 5 HD1 TRP 96 HD1 TRP 96 5.760 0.825 -4.368 6 HE1 TRP 96 HE1 TRP 96 7.147 2.939 -4.784 7 HE3 TRP 96 HE3 TRP 96 10.405 -1.061 -3.390 8 HZ2 TRP 96 HZ2 TRP 96 9.866 3.721 -4.699 9 HZ3 TRP 96 HZ3 TRP 96 12.352 0.425 -3.580 10 HH2 TRP 96 HH2 TRP 96 12.084 2.785 -4.225 No H/Q in entry = 10 In of MODEL 28 1 H ASP 97 H ASP 97 6.917 -1.087 -7.050 2 HA ASP 97 HA ASP 97 9.720 -1.737 -7.602 3 HB2 ASP 97 HB2 ASP 97 9.268 -2.203 -9.907 4 HB3 ASP 97 HB3 ASP 97 8.158 -3.185 -8.959 No H/Q in entry = 4 In of MODEL 28 1 H ARG 98 H ARG 98 10.853 -0.213 -8.719 2 HA ARG 98 HA ARG 98 9.623 2.447 -8.822 3 HB2 ARG 98 HB2 ARG 98 11.813 3.349 -8.602 4 HB3 ARG 98 HB3 ARG 98 11.714 2.036 -7.453 5 HG2 ARG 98 HG2 ARG 98 13.604 1.263 -8.285 6 HG3 ARG 98 HG3 ARG 98 12.723 0.870 -9.764 7 HD2 ARG 98 HD2 ARG 98 14.698 2.196 -10.279 8 HD3 ARG 98 HD3 ARG 98 13.229 3.107 -10.641 9 HE ARG 98 HE ARG 98 14.314 3.599 -8.008 10 HH11 ARG 98 HH11 ARG 98 14.368 4.555 -11.386 11 HH12 ARG 98 HH12 ARG 98 15.000 6.135 -11.057 12 HH21 ARG 98 HH21 ARG 98 15.125 5.697 -7.581 13 HH22 ARG 98 HH22 ARG 98 15.434 6.783 -8.905 No H/Q in entry = 13 In of MODEL 28 1 H ASP 99 H ASP 99 11.020 -0.096 -10.607 2 HA ASP 99 HA ASP 99 9.931 0.658 -13.067 3 HB2 ASP 99 HB2 ASP 99 11.776 2.349 -13.021 4 HB3 ASP 99 HB3 ASP 99 12.936 1.028 -12.912 No H/Q in entry = 4 In of MODEL 28 1 H MET 100 H MET 100 11.511 -1.322 -10.958 2 HA MET 100 HA MET 100 12.337 -3.313 -12.930 3 HB2 MET 100 HB2 MET 100 12.872 -3.453 -9.967 4 HB3 MET 100 HB3 MET 100 13.782 -4.183 -11.287 5 HG2 MET 100 HG2 MET 100 13.627 -1.244 -10.656 6 HG3 MET 100 HG3 MET 100 14.987 -2.315 -10.289 7 HE1 MET 100 HE1 MET 100 15.158 0.459 -11.879 8 HE2 MET 100 HE2 MET 100 16.592 -0.517 -11.564 9 HE3 MET 100 HE3 MET 100 16.258 0.056 -13.198 No H/Q in entry = 9 In of MODEL 29 1 HA ILE 2 HA ILE 2 -21.551 -2.020 -3.595 2 HB ILE 2 HB ILE 2 -21.830 -2.992 -1.150 3 HG12 ILE 2 HG12 ILE 2 -24.027 -4.446 -1.314 4 HG13 ILE 2 HG13 ILE 2 -23.367 -4.920 -2.872 5 HG21 ILE 2 HG21 ILE 2 -23.023 -1.105 -2.062 6 HG22 ILE 2 HG22 ILE 2 -24.115 -2.183 -2.931 7 HG23 ILE 2 HG23 ILE 2 -24.129 -2.148 -1.167 8 HD11 ILE 2 HD11 ILE 2 -21.347 -5.724 -1.758 9 HD12 ILE 2 HD12 ILE 2 -22.031 -5.262 -0.199 10 HD13 ILE 2 HD13 ILE 2 -22.799 -6.526 -1.159 No H/Q in entry = 10 In of MODEL 29 1 H GLN 3 H GLN 3 -20.527 -5.386 -2.887 2 HA GLN 3 HA GLN 3 -18.016 -4.448 -1.843 3 HB2 GLN 3 HB2 GLN 3 -19.489 -6.850 -1.718 4 HB3 GLN 3 HB3 GLN 3 -17.966 -7.220 -2.521 5 HG2 GLN 3 HG2 GLN 3 -17.512 -7.585 -0.259 6 HG3 GLN 3 HG3 GLN 3 -16.845 -5.989 -0.591 7 HE21 GLN 3 HE21 GLN 3 -17.702 -7.170 1.924 8 HE22 GLN 3 HE22 GLN 3 -18.896 -6.107 2.575 No H/Q in entry = 8 In of MODEL 29 1 H ARG 4 H ARG 4 -18.430 -3.642 -4.564 2 HA ARG 4 HA ARG 4 -16.794 -4.675 -6.370 3 HB2 ARG 4 HB2 ARG 4 -17.734 -2.498 -6.698 4 HB3 ARG 4 HB3 ARG 4 -16.882 -1.853 -5.301 5 HG2 ARG 4 HG2 ARG 4 -14.798 -1.811 -6.440 6 HG3 ARG 4 HG3 ARG 4 -15.430 -2.781 -7.792 7 HD2 ARG 4 HD2 ARG 4 -15.198 -0.310 -8.246 8 HD3 ARG 4 HD3 ARG 4 -16.819 -0.952 -8.522 9 HE ARG 4 HE ARG 4 -17.044 -0.077 -6.014 10 HH11 ARG 4 HH11 ARG 4 -15.587 1.460 -8.790 11 HH12 ARG 4 HH12 ARG 4 -15.922 3.069 -8.242 12 HH21 ARG 4 HH21 ARG 4 -17.492 2.016 -5.271 13 HH22 ARG 4 HH22 ARG 4 -17.008 3.397 -6.219 No H/Q in entry = 13 In of MODEL 29 1 H THR 5 H THR 5 -14.618 -4.784 -6.856 2 HA THR 5 HA THR 5 -13.101 -5.719 -4.637 3 HB THR 5 HB THR 5 -11.478 -6.465 -6.307 4 HG1 THR 5 HG1 THR 5 -13.124 -5.083 -8.199 5 HG21 THR 5 HG21 THR 5 -14.369 -6.914 -7.037 6 HG22 THR 5 HG22 THR 5 -13.035 -7.771 -7.811 7 HG23 THR 5 HG23 THR 5 -13.315 -7.956 -6.085 No H/Q in entry = 7 In of MODEL 29 1 HA PRO 6 HA PRO 6 -10.549 -2.031 -4.152 2 HB2 PRO 6 HB2 PRO 6 -8.947 -3.582 -2.290 3 HB3 PRO 6 HB3 PRO 6 -9.988 -2.198 -1.958 4 HG2 PRO 6 HG2 PRO 6 -10.541 -4.757 -1.125 5 HG3 PRO 6 HG3 PRO 6 -11.779 -3.505 -1.404 6 HD2 PRO 6 HD2 PRO 6 -10.961 -5.806 -3.150 7 HD3 PRO 6 HD3 PRO 6 -12.568 -5.090 -2.882 No H/Q in entry = 7 In of MODEL 29 1 H LYS 7 H LYS 7 -8.924 -1.512 -5.433 2 HA LYS 7 HA LYS 7 -7.255 -3.679 -6.489 3 HB2 LYS 7 HB2 LYS 7 -8.439 -2.427 -8.189 4 HB3 LYS 7 HB3 LYS 7 -7.875 -0.901 -7.528 5 HG2 LYS 7 HG2 LYS 7 -5.624 -1.369 -8.230 6 HG3 LYS 7 HG3 LYS 7 -6.089 -2.989 -8.757 7 HD2 LYS 7 HD2 LYS 7 -7.482 -2.086 -10.491 8 HD3 LYS 7 HD3 LYS 7 -7.242 -0.445 -9.890 9 HE2 LYS 7 HE2 LYS 7 -5.881 -0.946 -11.886 10 HE3 LYS 7 HE3 LYS 7 -4.910 -0.517 -10.481 11 HZ1 LYS 7 HZ1 LYS 7 -5.429 -3.301 -11.387 12 HZ2 LYS 7 HZ2 LYS 7 -4.024 -2.419 -11.735 13 HZ3 LYS 7 HZ3 LYS 7 -4.393 -2.824 -10.131 No H/Q in entry = 13 In of MODEL 29 1 H ILE 8 H ILE 8 -4.981 -3.379 -6.692 2 HA ILE 8 HA ILE 8 -3.958 -2.045 -4.313 3 HB ILE 8 HB ILE 8 -2.299 -3.749 -6.142 4 HG12 ILE 8 HG12 ILE 8 -4.281 -5.080 -5.749 5 HG13 ILE 8 HG13 ILE 8 -2.967 -5.714 -4.770 6 HG21 ILE 8 HG21 ILE 8 -1.177 -2.533 -4.353 7 HG22 ILE 8 HG22 ILE 8 -2.257 -3.265 -3.165 8 HG23 ILE 8 HG23 ILE 8 -1.121 -4.273 -4.062 9 HD11 ILE 8 HD11 ILE 8 -5.168 -3.920 -3.790 10 HD12 ILE 8 HD12 ILE 8 -5.071 -5.669 -3.558 11 HD13 ILE 8 HD13 ILE 8 -3.870 -4.611 -2.814 No H/Q in entry = 11 In of MODEL 29 1 H GLN 9 H GLN 9 -3.159 -0.077 -4.490 2 HA GLN 9 HA GLN 9 -1.465 0.513 -6.819 3 HB2 GLN 9 HB2 GLN 9 -3.282 2.367 -5.269 4 HB3 GLN 9 HB3 GLN 9 -2.101 2.918 -6.467 5 HG2 GLN 9 HG2 GLN 9 -3.272 1.798 -8.220 6 HG3 GLN 9 HG3 GLN 9 -4.341 0.996 -7.070 7 HE21 GLN 9 HE21 GLN 9 -4.648 3.367 -5.421 8 HE22 GLN 9 HE22 GLN 9 -5.692 4.440 -6.299 No H/Q in entry = 8 In of MODEL 29 1 H VAL 10 H VAL 10 0.586 0.657 -6.221 2 HA VAL 10 HA VAL 10 1.264 1.845 -3.640 3 HB VAL 10 HB VAL 10 1.394 -0.407 -2.975 4 HG11 VAL 10 HG11 VAL 10 1.054 -1.386 -5.202 5 HG12 VAL 10 HG12 VAL 10 2.760 -1.115 -5.565 6 HG13 VAL 10 HG13 VAL 10 2.294 -2.223 -4.268 7 HG21 VAL 10 HG21 VAL 10 4.132 0.409 -3.940 8 HG22 VAL 10 HG22 VAL 10 3.434 0.659 -2.340 9 HG23 VAL 10 HG23 VAL 10 3.837 -0.972 -2.882 No H/Q in entry = 9 In of MODEL 29 1 H TYR 11 H TYR 11 2.898 3.218 -3.761 2 HA TYR 11 HA TYR 11 4.968 2.982 -5.739 3 HB2 TYR 11 HB2 TYR 11 4.523 5.156 -6.825 4 HB3 TYR 11 HB3 TYR 11 3.231 4.003 -7.121 5 HD1 TYR 11 HD1 TYR 11 4.166 7.094 -5.380 6 HD2 TYR 11 HD2 TYR 11 1.002 4.389 -6.255 7 HE1 TYR 11 HE1 TYR 11 2.537 8.758 -4.599 8 HE2 TYR 11 HE2 TYR 11 -0.638 6.048 -5.475 9 HH TYR 11 HH TYR 11 -0.613 8.030 -3.861 No H/Q in entry = 9 In of MODEL 29 1 H SER 12 H SER 12 6.498 4.867 -5.555 2 HA SER 12 HA SER 12 6.905 5.474 -2.754 3 HB2 SER 12 HB2 SER 12 8.792 4.794 -4.186 4 HB3 SER 12 HB3 SER 12 8.506 6.185 -5.222 5 HG SER 12 HG SER 12 9.484 7.433 -3.843 No H/Q in entry = 5 In of MODEL 29 1 H ARG 13 H ARG 13 6.549 7.386 -1.783 2 HA ARG 13 HA ARG 13 4.745 9.190 -3.051 3 HB2 ARG 13 HB2 ARG 13 5.040 8.563 -0.540 4 HB3 ARG 13 HB3 ARG 13 6.299 9.773 -0.520 5 HG2 ARG 13 HG2 ARG 13 3.390 10.281 -1.126 6 HG3 ARG 13 HG3 ARG 13 4.195 10.602 0.395 7 HD2 ARG 13 HD2 ARG 13 4.335 12.679 -0.484 8 HD3 ARG 13 HD3 ARG 13 5.758 12.004 -1.257 9 HE ARG 13 HE ARG 13 4.067 11.479 -3.140 10 HH11 ARG 13 HH11 ARG 13 4.069 14.331 -1.106 11 HH12 ARG 13 HH12 ARG 13 3.392 15.360 -2.337 12 HH21 ARG 13 HH21 ARG 13 3.213 12.818 -4.759 13 HH22 ARG 13 HH22 ARG 13 2.935 14.506 -4.426 No H/Q in entry = 13 In of MODEL 29 1 H HIS 14 H HIS 14 8.114 9.546 -2.028 2 HA HIS 14 HA HIS 14 8.371 11.807 -3.879 3 HB2 HIS 14 HB2 HIS 14 9.929 11.072 -1.392 4 HB3 HIS 14 HB3 HIS 14 10.504 12.296 -2.518 5 HD2 HIS 14 HD2 HIS 14 7.088 13.291 -2.687 6 HE1 HIS 14 HE1 HIS 14 8.232 14.707 1.134 7 HE2 HIS 14 HE2 HIS 14 6.401 14.690 -0.613 No H/Q in entry = 7 In of MODEL 29 1 HA PRO 15 HA PRO 15 11.312 9.607 -6.448 2 HB2 PRO 15 HB2 PRO 15 13.837 10.689 -5.952 3 HB3 PRO 15 HB3 PRO 15 12.666 11.290 -7.143 4 HG2 PRO 15 HG2 PRO 15 13.261 12.318 -4.373 5 HG3 PRO 15 HG3 PRO 15 12.805 13.221 -5.856 6 HD2 PRO 15 HD2 PRO 15 11.042 12.741 -3.853 7 HD3 PRO 15 HD3 PRO 15 10.539 12.786 -5.569 No H/Q in entry = 7 In of MODEL 29 1 H ALA 16 H ALA 16 11.705 7.561 -5.963 2 HA ALA 16 HA ALA 16 12.693 6.614 -3.495 3 HB1 ALA 16 HB1 ALA 16 11.267 5.291 -5.006 4 HB2 ALA 16 HB2 ALA 16 12.601 5.202 -6.152 5 HB3 ALA 16 HB3 ALA 16 12.751 4.441 -4.570 No H/Q in entry = 5 In of MODEL 29 1 H GLU 17 H GLU 17 14.728 6.973 -2.825 2 HA GLU 17 HA GLU 17 16.875 6.728 -4.807 3 HB2 GLU 17 HB2 GLU 17 16.299 8.892 -3.190 4 HB3 GLU 17 HB3 GLU 17 17.475 8.041 -2.213 5 HG2 GLU 17 HG2 GLU 17 18.684 8.163 -4.696 6 HG3 GLU 17 HG3 GLU 17 17.834 9.698 -4.569 No H/Q in entry = 6 In of MODEL 29 1 H ASN 18 H ASN 18 18.234 5.085 -4.567 2 HA ASN 18 HA ASN 18 17.893 3.253 -2.370 3 HB2 ASN 18 HB2 ASN 18 18.280 2.062 -4.284 4 HB3 ASN 18 HB3 ASN 18 19.387 3.259 -4.957 5 HD21 ASN 18 HD21 ASN 18 20.952 1.820 -5.525 6 HD22 ASN 18 HD22 ASN 18 21.899 0.921 -4.379 No H/Q in entry = 6 In of MODEL 29 1 H GLY 19 H GLY 19 18.960 3.185 -0.563 2 HA2 GLY 19 HA2 GLY 19 21.605 4.383 -0.276 3 HA3 GLY 19 HA3 GLY 19 20.700 3.511 0.972 No H/Q in entry = 3 In of MODEL 29 1 H LYS 20 H LYS 20 18.296 5.166 0.257 2 HA LYS 20 HA LYS 20 19.030 7.612 1.716 3 HB2 LYS 20 HB2 LYS 20 18.600 7.577 -0.988 4 HB3 LYS 20 HB3 LYS 20 16.979 7.886 -0.377 5 HG2 LYS 20 HG2 LYS 20 17.947 9.980 -0.824 6 HG3 LYS 20 HG3 LYS 20 17.946 9.794 0.937 7 HD2 LYS 20 HD2 LYS 20 20.326 8.971 0.696 8 HD3 LYS 20 HD3 LYS 20 20.273 9.501 -0.965 9 HE2 LYS 20 HE2 LYS 20 19.879 11.260 1.453 10 HE3 LYS 20 HE3 LYS 20 21.309 11.203 0.421 11 HZ1 LYS 20 HZ1 LYS 20 19.646 11.740 -1.449 12 HZ2 LYS 20 HZ2 LYS 20 18.626 12.255 -0.193 13 HZ3 LYS 20 HZ3 LYS 20 20.139 12.990 -0.407 No H/Q in entry = 13 In of MODEL 29 1 H SER 21 H SER 21 17.380 8.511 2.921 2 HA SER 21 HA SER 21 15.290 6.722 3.744 3 HB2 SER 21 HB2 SER 21 15.910 9.582 4.488 4 HB3 SER 21 HB3 SER 21 14.712 8.570 5.289 5 HG SER 21 HG SER 21 16.247 7.587 6.343 No H/Q in entry = 5 In of MODEL 29 1 H ASN 22 H ASN 22 13.120 6.892 3.310 2 HA ASN 22 HA ASN 22 12.115 8.999 1.578 3 HB2 ASN 22 HB2 ASN 22 13.452 7.301 0.133 4 HB3 ASN 22 HB3 ASN 22 12.192 6.152 0.543 5 HD21 ASN 22 HD21 ASN 22 10.338 6.163 -0.525 6 HD22 ASN 22 HD22 ASN 22 9.960 7.238 -1.823 No H/Q in entry = 6 In of MODEL 29 1 H PHE 23 H PHE 23 9.747 8.195 0.766 2 HA PHE 23 HA PHE 23 8.469 6.942 3.105 3 HB2 PHE 23 HB2 PHE 23 7.631 9.354 1.490 4 HB3 PHE 23 HB3 PHE 23 6.500 8.458 2.493 5 HD1 PHE 23 HD1 PHE 23 9.767 10.256 2.694 6 HD2 PHE 23 HD2 PHE 23 6.183 9.084 4.659 7 HE1 PHE 23 HE1 PHE 23 10.373 11.659 4.624 8 HE2 PHE 23 HE2 PHE 23 6.776 10.485 6.591 9 HZ PHE 23 HZ PHE 23 8.879 11.762 6.581 No H/Q in entry = 9 In of MODEL 29 1 H LEU 24 H LEU 24 7.247 5.228 2.597 2 HA LEU 24 HA LEU 24 6.727 4.570 -0.195 3 HB2 LEU 24 HB2 LEU 24 7.173 3.111 2.104 4 HB3 LEU 24 HB3 LEU 24 5.454 2.902 1.847 5 HG LEU 24 HG LEU 24 7.694 2.109 -0.047 6 HD11 LEU 24 HD11 LEU 24 5.655 0.504 1.499 7 HD12 LEU 24 HD12 LEU 24 6.799 -0.158 0.332 8 HD13 LEU 24 HD13 LEU 24 7.387 0.586 1.819 9 HD21 LEU 24 HD21 LEU 24 4.704 1.999 -0.456 10 HD22 LEU 24 HD22 LEU 24 5.892 2.860 -1.439 11 HD23 LEU 24 HD23 LEU 24 5.873 1.098 -1.420 No H/Q in entry = 11 In of MODEL 29 1 H ASN 25 H ASN 25 4.535 4.043 -0.903 2 HA ASN 25 HA ASN 25 2.387 5.150 0.730 3 HB2 ASN 25 HB2 ASN 25 3.006 7.030 -0.639 4 HB3 ASN 25 HB3 ASN 25 3.006 6.039 -2.097 5 HD21 ASN 25 HD21 ASN 25 1.124 7.759 0.218 6 HD22 ASN 25 HD22 ASN 25 -0.388 7.653 -0.624 No H/Q in entry = 6 In of MODEL 29 1 H CYS 26 H CYS 26 0.687 3.862 0.732 2 HA CYS 26 HA CYS 26 0.214 2.095 -1.568 3 HB2 CYS 26 HB2 CYS 26 1.237 1.045 0.597 4 HB3 CYS 26 HB3 CYS 26 -0.411 1.188 1.214 No H/Q in entry = 4 In of MODEL 29 1 H TYR 27 H TYR 27 -1.726 2.394 -2.400 2 HA TYR 27 HA TYR 27 -3.764 3.803 -0.791 3 HB2 TYR 27 HB2 TYR 27 -2.572 4.459 -3.395 4 HB3 TYR 27 HB3 TYR 27 -4.327 4.419 -3.429 5 HD1 TYR 27 HD1 TYR 27 -5.542 5.877 -1.627 6 HD2 TYR 27 HD2 TYR 27 -1.465 6.376 -2.725 7 HE1 TYR 27 HE1 TYR 27 -5.614 8.201 -0.827 8 HE2 TYR 27 HE2 TYR 27 -1.521 8.689 -1.902 9 HH TYR 27 HH TYR 27 -3.223 10.464 -1.515 No H/Q in entry = 9 In of MODEL 29 1 H VAL 28 H VAL 28 -5.113 2.124 -0.340 2 HA VAL 28 HA VAL 28 -5.941 0.426 -2.591 3 HB VAL 28 HB VAL 28 -6.679 -0.080 0.283 4 HG11 VAL 28 HG11 VAL 28 -6.406 -1.797 -2.171 5 HG12 VAL 28 HG12 VAL 28 -6.731 -2.422 -0.556 6 HG13 VAL 28 HG13 VAL 28 -7.897 -1.355 -1.335 7 HG21 VAL 28 HG21 VAL 28 -4.148 -0.930 -1.118 8 HG22 VAL 28 HG22 VAL 28 -4.275 0.085 0.320 9 HG23 VAL 28 HG23 VAL 28 -4.732 -1.620 0.400 No H/Q in entry = 9 In of MODEL 29 1 H SER 29 H SER 29 -7.773 0.980 -3.566 2 HA SER 29 HA SER 29 -9.983 2.090 -2.054 3 HB2 SER 29 HB2 SER 29 -8.505 4.031 -2.685 4 HB3 SER 29 HB3 SER 29 -8.794 3.631 -4.374 5 HG SER 29 HG SER 29 -10.655 4.523 -2.430 No H/Q in entry = 5 In of MODEL 29 1 H GLY 30 H GLY 30 -11.748 2.749 -3.854 2 HA2 GLY 30 HA2 GLY 30 -11.686 0.834 -6.055 3 HA3 GLY 30 HA3 GLY 30 -12.831 2.146 -5.863 No H/Q in entry = 3 In of MODEL 29 1 H PHE 31 H PHE 31 -12.941 1.072 -2.895 2 HA PHE 31 HA PHE 31 -14.658 -1.236 -3.521 3 HB2 PHE 31 HB2 PHE 31 -13.827 -2.343 -1.522 4 HB3 PHE 31 HB3 PHE 31 -12.473 -1.895 -2.572 5 HD1 PHE 31 HD1 PHE 31 -14.013 -1.426 0.677 6 HD2 PHE 31 HD2 PHE 31 -11.060 0.061 -2.002 7 HE1 PHE 31 HE1 PHE 31 -12.955 -0.198 2.527 8 HE2 PHE 31 HE2 PHE 31 -10.004 1.292 -0.155 9 HZ PHE 31 HZ PHE 31 -10.950 1.168 2.114 No H/Q in entry = 9 In of MODEL 29 1 H HIS 32 H HIS 32 -15.727 -1.964 -1.344 2 HA HIS 32 HA HIS 32 -16.554 0.045 0.491 3 HB2 HIS 32 HB2 HIS 32 -18.111 0.697 -1.342 4 HB3 HIS 32 HB3 HIS 32 -18.671 -0.968 -1.481 5 HD2 HIS 32 HD2 HIS 32 -20.562 -1.751 0.377 6 HE1 HIS 32 HE1 HIS 32 -20.944 2.071 2.148 7 HE2 HIS 32 HE2 HIS 32 -21.812 -0.309 2.139 No H/Q in entry = 7 In of MODEL 29 1 HA PRO 33 HA PRO 33 -18.492 -0.201 2.313 2 HB2 PRO 33 HB2 PRO 33 -18.120 -0.794 4.894 3 HB3 PRO 33 HB3 PRO 33 -19.404 -1.551 3.942 4 HG2 PRO 33 HG2 PRO 33 -16.698 -2.621 4.653 5 HG3 PRO 33 HG3 PRO 33 -18.276 -3.426 4.752 6 HD2 PRO 33 HD2 PRO 33 -16.574 -3.811 2.687 7 HD3 PRO 33 HD3 PRO 33 -18.337 -3.869 2.496 No H/Q in entry = 7 In of MODEL 29 1 H SER 34 H SER 34 -17.617 0.961 4.473 2 HA SER 34 HA SER 34 -15.307 2.341 3.579 3 HB2 SER 34 HB2 SER 34 -15.612 3.692 5.672 4 HB3 SER 34 HB3 SER 34 -17.077 3.536 4.693 5 HG SER 34 HG SER 34 -16.835 1.524 6.532 No H/Q in entry = 5 In of MODEL 29 1 H ASP 35 H ASP 35 -14.586 -0.432 4.269 2 HA ASP 35 HA ASP 35 -12.279 0.264 5.881 3 HB2 ASP 35 HB2 ASP 35 -12.586 -1.317 7.657 4 HB3 ASP 35 HB3 ASP 35 -14.083 -0.393 7.560 No H/Q in entry = 4 In of MODEL 29 1 H ILE 36 H ILE 36 -10.537 -0.801 5.362 2 HA ILE 36 HA ILE 36 -10.625 -3.573 4.513 3 HB ILE 36 HB ILE 36 -10.620 -2.119 2.385 4 HG12 ILE 36 HG12 ILE 36 -8.648 -4.265 3.076 5 HG13 ILE 36 HG13 ILE 36 -10.052 -4.346 2.018 6 HG21 ILE 36 HG21 ILE 36 -7.817 -1.596 3.367 7 HG22 ILE 36 HG22 ILE 36 -8.384 -1.257 1.733 8 HG23 ILE 36 HG23 ILE 36 -9.076 -0.389 3.100 9 HD11 ILE 36 HD11 ILE 36 -7.472 -2.927 1.381 10 HD12 ILE 36 HD12 ILE 36 -7.936 -4.522 0.793 11 HD13 ILE 36 HD13 ILE 36 -8.860 -3.099 0.307 No H/Q in entry = 11 In of MODEL 29 1 H GLU 37 H GLU 37 -8.519 -4.600 4.801 2 HA GLU 37 HA GLU 37 -6.694 -3.008 6.467 3 HB2 GLU 37 HB2 GLU 37 -7.910 -5.048 7.487 4 HB3 GLU 37 HB3 GLU 37 -6.849 -6.009 6.465 5 HG2 GLU 37 HG2 GLU 37 -5.841 -5.922 8.610 6 HG3 GLU 37 HG3 GLU 37 -4.902 -4.849 7.568 No H/Q in entry = 6 In of MODEL 29 1 H VAL 38 H VAL 38 -4.781 -2.642 5.598 2 HA VAL 38 HA VAL 38 -3.717 -4.538 3.653 3 HB VAL 38 HB VAL 38 -4.048 -3.118 1.976 4 HG11 VAL 38 HG11 VAL 38 -5.734 -1.967 3.237 5 HG12 VAL 38 HG12 VAL 38 -4.515 -0.927 3.975 6 HG13 VAL 38 HG13 VAL 38 -4.830 -0.825 2.241 7 HG21 VAL 38 HG21 VAL 38 -2.011 -1.372 3.366 8 HG22 VAL 38 HG22 VAL 38 -1.670 -2.674 2.232 9 HG23 VAL 38 HG23 VAL 38 -2.497 -1.215 1.675 No H/Q in entry = 9 In of MODEL 29 1 H ASP 39 H ASP 39 -1.614 -4.872 3.721 2 HA ASP 39 HA ASP 39 -0.081 -3.488 5.814 3 HB2 ASP 39 HB2 ASP 39 0.093 -5.316 7.103 4 HB3 ASP 39 HB3 ASP 39 -1.122 -6.063 6.086 No H/Q in entry = 4 In of MODEL 29 1 H LEU 40 H LEU 40 2.144 -3.373 5.493 2 HA LEU 40 HA LEU 40 2.850 -3.625 2.667 3 HB2 LEU 40 HB2 LEU 40 4.339 -2.146 4.831 4 HB3 LEU 40 HB3 LEU 40 4.587 -2.020 3.099 5 HG LEU 40 HG LEU 40 2.201 -1.028 4.652 6 HD11 LEU 40 HD11 LEU 40 4.466 0.378 3.245 7 HD12 LEU 40 HD12 LEU 40 3.023 1.181 3.868 8 HD13 LEU 40 HD13 LEU 40 4.126 0.363 4.978 9 HD21 LEU 40 HD21 LEU 40 2.762 -0.958 1.695 10 HD22 LEU 40 HD22 LEU 40 1.431 -1.784 2.506 11 HD23 LEU 40 HD23 LEU 40 1.505 -0.019 2.504 No H/Q in entry = 11 In of MODEL 29 1 H LEU 41 H LEU 41 4.623 -4.788 2.006 2 HA LEU 41 HA LEU 41 5.744 -6.578 4.049 3 HB2 LEU 41 HB2 LEU 41 5.535 -7.215 1.141 4 HB3 LEU 41 HB3 LEU 41 5.868 -8.298 2.458 5 HG LEU 41 HG LEU 41 3.223 -6.936 2.015 6 HD11 LEU 41 HD11 LEU 41 4.148 -9.738 1.403 7 HD12 LEU 41 HD12 LEU 41 2.478 -9.183 1.321 8 HD13 LEU 41 HD13 LEU 41 3.684 -8.498 0.237 9 HD21 LEU 41 HD21 LEU 41 4.070 -9.126 3.912 10 HD22 LEU 41 HD22 LEU 41 3.650 -7.471 4.353 11 HD23 LEU 41 HD23 LEU 41 2.422 -8.544 3.683 No H/Q in entry = 11 In of MODEL 29 1 H LYS 42 H LYS 42 7.604 -7.778 3.049 2 HA LYS 42 HA LYS 42 9.537 -6.183 1.636 3 HB2 LYS 42 HB2 LYS 42 10.198 -7.200 4.397 4 HB3 LYS 42 HB3 LYS 42 11.302 -6.403 3.285 5 HG2 LYS 42 HG2 LYS 42 9.738 -4.378 3.362 6 HG3 LYS 42 HG3 LYS 42 8.904 -5.212 4.645 7 HD2 LYS 42 HD2 LYS 42 10.622 -4.985 6.178 8 HD3 LYS 42 HD3 LYS 42 11.884 -4.863 4.944 9 HE2 LYS 42 HE2 LYS 42 10.845 -2.629 4.331 10 HE3 LYS 42 HE3 LYS 42 9.887 -2.774 5.805 11 HZ1 LYS 42 HZ1 LYS 42 12.858 -2.818 5.702 12 HZ2 LYS 42 HZ2 LYS 42 11.925 -1.472 6.122 13 HZ3 LYS 42 HZ3 LYS 42 11.900 -2.851 7.104 No H/Q in entry = 13 In of MODEL 29 1 H ASN 43 H ASN 43 9.755 -7.615 0.121 2 HA ASN 43 HA ASN 43 10.255 -9.492 -1.044 3 HB2 ASN 43 HB2 ASN 43 11.716 -10.122 1.505 4 HB3 ASN 43 HB3 ASN 43 11.698 -11.256 0.161 5 HD21 ASN 43 HD21 ASN 43 12.903 -8.254 1.365 6 HD22 ASN 43 HD22 ASN 43 14.019 -7.953 0.074 No H/Q in entry = 6 In of MODEL 29 1 H GLY 44 H GLY 44 8.441 -9.700 1.789 2 HA2 GLY 44 HA2 GLY 44 7.576 -12.433 1.452 3 HA3 GLY 44 HA3 GLY 44 6.410 -11.227 0.910 No H/Q in entry = 3 In of MODEL 29 1 H GLU 45 H GLU 45 8.209 -9.943 3.366 2 HA GLU 45 HA GLU 45 6.604 -11.148 5.502 3 HB2 GLU 45 HB2 GLU 45 9.257 -9.740 5.593 4 HB3 GLU 45 HB3 GLU 45 8.492 -10.605 6.925 5 HG2 GLU 45 HG2 GLU 45 9.279 -11.851 4.312 6 HG3 GLU 45 HG3 GLU 45 10.287 -11.835 5.736 No H/Q in entry = 6 In of MODEL 29 1 H ARG 46 H ARG 46 5.598 -9.919 7.003 2 HA ARG 46 HA ARG 46 4.559 -7.457 6.165 3 HB2 ARG 46 HB2 ARG 46 3.316 -9.003 7.556 4 HB3 ARG 46 HB3 ARG 46 4.504 -8.859 8.834 5 HG2 ARG 46 HG2 ARG 46 3.778 -6.733 9.404 6 HG3 ARG 46 HG3 ARG 46 2.908 -6.527 7.867 7 HD2 ARG 46 HD2 ARG 46 2.175 -8.397 10.129 8 HD3 ARG 46 HD3 ARG 46 1.217 -7.077 9.474 9 HE ARG 46 HE ARG 46 1.288 -8.478 7.332 10 HH11 ARG 46 HH11 ARG 46 1.099 -9.749 10.595 11 HH12 ARG 46 HH12 ARG 46 0.268 -11.199 10.113 12 HH21 ARG 46 HH21 ARG 46 0.205 -10.376 6.703 13 HH22 ARG 46 HH22 ARG 46 -0.227 -11.557 7.896 No H/Q in entry = 13 In of MODEL 29 1 H ILE 47 H ILE 47 5.007 -5.395 6.643 2 HA ILE 47 HA ILE 47 7.347 -4.763 8.273 3 HB ILE 47 HB ILE 47 5.553 -2.908 6.685 4 HG12 ILE 47 HG12 ILE 47 8.337 -3.813 5.976 5 HG13 ILE 47 HG13 ILE 47 6.895 -4.547 5.283 6 HG21 ILE 47 HG21 ILE 47 6.715 -1.842 8.568 7 HG22 ILE 47 HG22 ILE 47 8.256 -2.422 7.938 8 HG23 ILE 47 HG23 ILE 47 7.310 -1.254 7.015 9 HD11 ILE 47 HD11 ILE 47 7.631 -1.635 5.066 10 HD12 ILE 47 HD12 ILE 47 7.877 -2.841 3.803 11 HD13 ILE 47 HD13 ILE 47 6.248 -2.425 4.318 No H/Q in entry = 11 In of MODEL 29 1 H GLU 48 H GLU 48 7.166 -3.763 10.235 2 HA GLU 48 HA GLU 48 4.445 -3.759 11.267 3 HB2 GLU 48 HB2 GLU 48 5.721 -3.704 13.538 4 HB3 GLU 48 HB3 GLU 48 5.568 -5.194 12.632 5 HG2 GLU 48 HG2 GLU 48 7.987 -3.439 12.496 6 HG3 GLU 48 HG3 GLU 48 7.805 -4.733 13.659 No H/Q in entry = 6 In of MODEL 29 1 H LYS 49 H LYS 49 7.272 -1.541 11.116 2 HA LYS 49 HA LYS 49 6.028 0.506 12.570 3 HB2 LYS 49 HB2 LYS 49 8.114 0.784 10.420 4 HB3 LYS 49 HB3 LYS 49 7.771 1.929 11.713 5 HG2 LYS 49 HG2 LYS 49 8.523 -0.860 12.364 6 HG3 LYS 49 HG3 LYS 49 9.758 0.279 11.913 7 HD2 LYS 49 HD2 LYS 49 9.607 0.262 14.300 8 HD3 LYS 49 HD3 LYS 49 8.902 1.777 13.740 9 HE2 LYS 49 HE2 LYS 49 6.686 0.952 14.071 10 HE3 LYS 49 HE3 LYS 49 7.279 -0.681 14.364 11 HZ1 LYS 49 HZ1 LYS 49 8.345 0.121 16.387 12 HZ2 LYS 49 HZ2 LYS 49 7.729 1.679 16.113 13 HZ3 LYS 49 HZ3 LYS 49 6.673 0.388 16.421 No H/Q in entry = 13 In of MODEL 29 1 H VAL 50 H VAL 50 4.886 -0.708 9.774 2 HA VAL 50 HA VAL 50 4.201 1.494 8.212 3 HB VAL 50 HB VAL 50 2.530 -0.959 8.784 4 HG11 VAL 50 HG11 VAL 50 1.270 0.946 7.797 5 HG12 VAL 50 HG12 VAL 50 2.397 0.933 6.436 6 HG13 VAL 50 HG13 VAL 50 1.361 -0.465 6.731 7 HG21 VAL 50 HG21 VAL 50 4.754 -1.486 7.921 8 HG22 VAL 50 HG22 VAL 50 3.497 -1.852 6.742 9 HG23 VAL 50 HG23 VAL 50 4.479 -0.404 6.557 No H/Q in entry = 9 In of MODEL 29 1 H GLU 51 H GLU 51 2.682 3.074 8.372 2 HA GLU 51 HA GLU 51 0.776 2.912 10.588 3 HB2 GLU 51 HB2 GLU 51 2.398 5.369 9.897 4 HB3 GLU 51 HB3 GLU 51 1.114 5.285 11.099 5 HG2 GLU 51 HG2 GLU 51 2.449 3.656 12.373 6 HG3 GLU 51 HG3 GLU 51 3.749 3.835 11.197 No H/Q in entry = 6 In of MODEL 29 1 H HIS 52 H HIS 52 -1.149 3.845 10.240 2 HA HIS 52 HA HIS 52 -1.696 4.797 7.511 3 HB2 HIS 52 HB2 HIS 52 -4.078 4.089 7.964 4 HB3 HIS 52 HB3 HIS 52 -2.911 2.788 7.806 5 HD2 HIS 52 HD2 HIS 52 -2.086 1.741 10.447 6 HE1 HIS 52 HE1 HIS 52 -5.842 2.781 12.085 7 HE2 HIS 52 HE2 HIS 52 -3.852 1.222 12.269 No H/Q in entry = 7 In of MODEL 29 1 H SER 53 H SER 53 -2.504 6.767 7.229 2 HA SER 53 HA SER 53 -2.806 8.496 9.529 3 HB2 SER 53 HB2 SER 53 -1.682 9.183 7.359 4 HB3 SER 53 HB3 SER 53 -3.280 9.185 6.618 5 HG SER 53 HG SER 53 -2.909 10.648 8.982 No H/Q in entry = 5 In of MODEL 29 1 H ASP 54 H ASP 54 -4.769 10.110 9.356 2 HA ASP 54 HA ASP 54 -7.043 8.695 10.064 3 HB2 ASP 54 HB2 ASP 54 -6.684 11.012 10.736 4 HB3 ASP 54 HB3 ASP 54 -6.870 11.544 9.065 No H/Q in entry = 4 In of MODEL 29 1 H LEU 55 H LEU 55 -8.585 7.752 9.061 2 HA LEU 55 HA LEU 55 -8.656 6.565 6.771 3 HB2 LEU 55 HB2 LEU 55 -10.543 6.899 8.607 4 HB3 LEU 55 HB3 LEU 55 -11.259 7.889 7.357 5 HG LEU 55 HG LEU 55 -12.113 5.548 7.451 6 HD11 LEU 55 HD11 LEU 55 -12.274 6.886 5.396 7 HD12 LEU 55 HD12 LEU 55 -10.721 6.235 4.872 8 HD13 LEU 55 HD13 LEU 55 -12.108 5.161 5.072 9 HD21 LEU 55 HD21 LEU 55 -9.325 4.879 6.532 10 HD22 LEU 55 HD22 LEU 55 -10.083 4.398 8.050 11 HD23 LEU 55 HD23 LEU 55 -10.695 3.769 6.519 No H/Q in entry = 11 In of MODEL 29 1 H SER 56 H SER 56 -11.170 8.861 6.283 2 HA SER 56 HA SER 56 -10.138 10.748 4.590 3 HB2 SER 56 HB2 SER 56 -9.371 8.657 3.285 4 HB3 SER 56 HB3 SER 56 -11.074 8.433 2.884 5 HG SER 56 HG SER 56 -9.253 10.264 1.930 No H/Q in entry = 5 In of MODEL 29 1 H PHE 57 H PHE 57 -11.870 11.318 2.802 2 HA PHE 57 HA PHE 57 -14.559 10.595 3.731 3 HB2 PHE 57 HB2 PHE 57 -15.320 12.900 3.169 4 HB3 PHE 57 HB3 PHE 57 -14.202 12.845 4.525 5 HD1 PHE 57 HD1 PHE 57 -14.836 14.119 1.215 6 HD2 PHE 57 HD2 PHE 57 -11.836 13.578 4.189 7 HE1 PHE 57 HE1 PHE 57 -13.431 15.802 0.100 8 HE2 PHE 57 HE2 PHE 57 -10.428 15.259 3.078 9 HZ PHE 57 HZ PHE 57 -11.223 16.375 1.031 No H/Q in entry = 9 In of MODEL 29 1 H SER 58 H SER 58 -15.852 9.859 2.185 2 HA SER 58 HA SER 58 -14.816 9.308 -0.382 3 HB2 SER 58 HB2 SER 58 -16.512 7.903 0.730 4 HB3 SER 58 HB3 SER 58 -17.688 9.208 0.577 5 HG SER 58 HG SER 58 -16.354 8.104 -1.665 No H/Q in entry = 5 In of MODEL 29 1 H LYS 59 H LYS 59 -14.783 10.469 -2.166 2 HA LYS 59 HA LYS 59 -16.163 13.012 -2.278 3 HB2 LYS 59 HB2 LYS 59 -13.867 12.942 -3.052 4 HB3 LYS 59 HB3 LYS 59 -14.252 11.663 -4.195 5 HG2 LYS 59 HG2 LYS 59 -15.637 13.170 -5.472 6 HG3 LYS 59 HG3 LYS 59 -15.375 14.453 -4.291 7 HD2 LYS 59 HD2 LYS 59 -13.047 14.572 -4.832 8 HD3 LYS 59 HD3 LYS 59 -13.158 13.136 -5.850 9 HE2 LYS 59 HE2 LYS 59 -13.085 15.312 -7.092 10 HE3 LYS 59 HE3 LYS 59 -14.466 14.287 -7.474 11 HZ1 LYS 59 HZ1 LYS 59 -14.490 16.622 -5.630 12 HZ2 LYS 59 HZ2 LYS 59 -15.122 16.589 -7.205 13 HZ3 LYS 59 HZ3 LYS 59 -15.827 15.637 -5.992 No H/Q in entry = 13 In of MODEL 29 1 H ASP 60 H ASP 60 -15.778 10.639 -4.884 2 HA ASP 60 HA ASP 60 -18.691 10.569 -5.181 3 HB2 ASP 60 HB2 ASP 60 -17.937 12.306 -6.723 4 HB3 ASP 60 HB3 ASP 60 -16.790 11.182 -7.447 No H/Q in entry = 4 In of MODEL 29 1 H TRP 61 H TRP 61 -15.677 9.337 -6.608 2 HA TRP 61 HA TRP 61 -17.024 7.023 -7.601 3 HB2 TRP 61 HB2 TRP 61 -15.073 8.172 -8.724 4 HB3 TRP 61 HB3 TRP 61 -14.044 7.484 -7.473 5 HD1 TRP 61 HD1 TRP 61 -13.005 5.201 -8.053 6 HE1 TRP 61 HE1 TRP 61 -13.474 3.348 -9.790 7 HE3 TRP 61 HE3 TRP 61 -17.300 7.079 -10.079 8 HZ2 TRP 61 HZ2 TRP 61 -15.419 2.771 -11.745 9 HZ3 TRP 61 HZ3 TRP 61 -18.416 5.832 -11.873 10 HH2 TRP 61 HH2 TRP 61 -17.481 3.694 -12.701 No H/Q in entry = 10 In of MODEL 29 1 H SER 62 H SER 62 -15.073 7.802 -4.819 2 HA SER 62 HA SER 62 -15.900 5.579 -3.337 3 HB2 SER 62 HB2 SER 62 -14.372 4.491 -5.092 4 HB3 SER 62 HB3 SER 62 -13.034 5.290 -4.261 5 HG SER 62 HG SER 62 -14.799 3.305 -3.258 No H/Q in entry = 5 In of MODEL 29 1 H PHE 63 H PHE 63 -13.786 5.146 -1.709 2 HA PHE 63 HA PHE 63 -12.891 7.769 -0.740 3 HB2 PHE 63 HB2 PHE 63 -13.175 6.590 1.605 4 HB3 PHE 63 HB3 PHE 63 -14.544 7.393 0.842 5 HD1 PHE 63 HD1 PHE 63 -16.490 6.239 0.364 6 HD2 PHE 63 HD2 PHE 63 -12.945 4.068 1.291 7 HE1 PHE 63 HE1 PHE 63 -17.798 4.153 0.473 8 HE2 PHE 63 HE2 PHE 63 -14.247 1.981 1.401 9 HZ PHE 63 HZ PHE 63 -16.676 2.023 0.990 No H/Q in entry = 9 In of MODEL 29 1 H TYR 64 H TYR 64 -11.021 7.390 0.906 2 HA TYR 64 HA TYR 64 -9.374 5.255 -0.280 3 HB2 TYR 64 HB2 TYR 64 -8.233 7.917 0.547 4 HB3 TYR 64 HB3 TYR 64 -7.571 6.738 -0.582 5 HD1 TYR 64 HD1 TYR 64 -8.912 6.391 -2.805 6 HD2 TYR 64 HD2 TYR 64 -9.375 9.764 -0.248 7 HE1 TYR 64 HE1 TYR 64 -9.884 7.674 -4.674 8 HE2 TYR 64 HE2 TYR 64 -10.342 11.047 -2.108 9 HH TYR 64 HH TYR 64 -11.251 9.573 -5.083 No H/Q in entry = 9 In of MODEL 29 1 H LEU 65 H LEU 65 -7.957 4.197 1.013 2 HA LEU 65 HA LEU 65 -7.440 5.305 3.673 3 HB2 LEU 65 HB2 LEU 65 -8.911 3.568 4.218 4 HB3 LEU 65 HB3 LEU 65 -8.277 2.500 2.985 5 HG LEU 65 HG LEU 65 -6.383 3.190 5.150 6 HD11 LEU 65 HD11 LEU 65 -8.621 2.983 6.272 7 HD12 LEU 65 HD12 LEU 65 -8.673 1.322 5.682 8 HD13 LEU 65 HD13 LEU 65 -7.399 1.829 6.792 9 HD21 LEU 65 HD21 LEU 65 -7.255 0.631 3.822 10 HD22 LEU 65 HD22 LEU 65 -5.848 1.601 3.383 11 HD23 LEU 65 HD23 LEU 65 -5.913 0.801 4.954 No H/Q in entry = 11 In of MODEL 29 1 H LEU 66 H LEU 66 -5.343 5.378 4.231 2 HA LEU 66 HA LEU 66 -3.480 4.535 2.114 3 HB2 LEU 66 HB2 LEU 66 -4.042 7.056 2.901 4 HB3 LEU 66 HB3 LEU 66 -2.753 6.677 3.999 5 HG LEU 66 HG LEU 66 -2.515 6.570 1.007 6 HD11 LEU 66 HD11 LEU 66 -1.588 8.635 3.001 7 HD12 LEU 66 HD12 LEU 66 -1.119 8.600 1.304 8 HD13 LEU 66 HD13 LEU 66 -2.808 8.851 1.750 9 HD21 LEU 66 HD21 LEU 66 -0.404 6.326 3.142 10 HD22 LEU 66 HD22 LEU 66 -0.972 5.031 2.091 11 HD23 LEU 66 HD23 LEU 66 -0.103 6.408 1.404 No H/Q in entry = 11 In of MODEL 29 1 H TYR 67 H TYR 67 -1.760 3.341 2.659 2 HA TYR 67 HA TYR 67 -0.994 3.122 5.493 3 HB2 TYR 67 HB2 TYR 67 -1.686 0.964 3.585 4 HB3 TYR 67 HB3 TYR 67 -0.278 0.688 4.600 5 HD1 TYR 67 HD1 TYR 67 -0.538 0.662 7.079 6 HD2 TYR 67 HD2 TYR 67 -3.900 0.770 4.471 7 HE1 TYR 67 HE1 TYR 67 -1.974 -0.158 8.901 8 HE2 TYR 67 HE2 TYR 67 -5.324 -0.060 6.276 9 HH TYR 67 HH TYR 67 -5.073 -1.357 8.404 No H/Q in entry = 9 In of MODEL 29 1 H TYR 68 H TYR 68 1.015 3.843 5.756 2 HA TYR 68 HA TYR 68 2.924 3.438 3.559 3 HB2 TYR 68 HB2 TYR 68 3.747 5.760 3.821 4 HB3 TYR 68 HB3 TYR 68 2.069 5.708 3.285 5 HD1 TYR 68 HD1 TYR 68 0.288 6.504 4.709 6 HD2 TYR 68 HD2 TYR 68 4.320 6.573 6.061 7 HE1 TYR 68 HE1 TYR 68 -0.356 8.030 6.528 8 HE2 TYR 68 HE2 TYR 68 3.684 8.089 7.892 9 HH TYR 68 HH TYR 68 1.952 9.649 8.484 No H/Q in entry = 9 In of MODEL 29 1 H THR 69 H THR 69 5.185 3.812 4.186 2 HA THR 69 HA THR 69 5.760 3.755 7.039 3 HB THR 69 HB THR 69 5.500 1.352 6.424 4 HG1 THR 69 HG1 THR 69 8.202 2.087 6.982 5 HG21 THR 69 HG21 THR 69 7.730 1.971 4.484 6 HG22 THR 69 HG22 THR 69 7.351 0.335 5.027 7 HG23 THR 69 HG23 THR 69 6.147 1.268 4.134 No H/Q in entry = 7 In of MODEL 29 1 H GLU 70 H GLU 70 7.827 4.459 7.527 2 HA GLU 70 HA GLU 70 9.251 5.795 5.374 3 HB2 GLU 70 HB2 GLU 70 8.785 6.891 7.617 4 HB3 GLU 70 HB3 GLU 70 9.879 5.727 8.344 5 HG2 GLU 70 HG2 GLU 70 10.873 7.436 6.117 6 HG3 GLU 70 HG3 GLU 70 10.670 8.137 7.719 No H/Q in entry = 6 In of MODEL 29 1 H PHE 71 H PHE 71 11.162 5.070 4.536 2 HA PHE 71 HA PHE 71 12.415 2.749 5.717 3 HB2 PHE 71 HB2 PHE 71 12.179 1.321 3.753 4 HB3 PHE 71 HB3 PHE 71 10.601 1.732 4.404 5 HD1 PHE 71 HD1 PHE 71 10.894 4.642 3.005 6 HD2 PHE 71 HD2 PHE 71 11.079 0.598 1.716 7 HE1 PHE 71 HE1 PHE 71 10.165 5.325 0.749 8 HE2 PHE 71 HE2 PHE 71 10.338 1.257 -0.526 9 HZ PHE 71 HZ PHE 71 9.896 3.637 -1.030 No H/Q in entry = 9 In of MODEL 29 1 H THR 72 H THR 72 14.418 2.137 4.590 2 HA THR 72 HA THR 72 15.482 4.318 2.927 3 HB THR 72 HB THR 72 17.090 2.401 4.623 4 HG1 THR 72 HG1 THR 72 15.624 4.498 5.391 5 HG21 THR 72 HG21 THR 72 17.841 4.984 3.236 6 HG22 THR 72 HG22 THR 72 18.905 4.015 4.262 7 HG23 THR 72 HG23 THR 72 18.316 3.359 2.734 No H/Q in entry = 7 In of MODEL 29 1 HA PRO 73 HA PRO 73 14.849 0.677 0.069 2 HB2 PRO 73 HB2 PRO 73 15.391 2.431 -2.094 3 HB3 PRO 73 HB3 PRO 73 13.795 1.908 -1.532 4 HG2 PRO 73 HG2 PRO 73 15.297 4.413 -0.952 5 HG3 PRO 73 HG3 PRO 73 13.547 4.173 -1.131 6 HD2 PRO 73 HD2 PRO 73 14.645 4.527 1.275 7 HD3 PRO 73 HD3 PRO 73 13.319 3.362 1.044 No H/Q in entry = 7 In of MODEL 29 1 H THR 74 H THR 74 16.272 -0.528 -1.073 2 HA THR 74 HA THR 74 18.912 0.560 -1.650 3 HB THR 74 HB THR 74 20.105 -1.337 -0.779 4 HG1 THR 74 HG1 THR 74 17.506 -2.361 -0.296 5 HG21 THR 74 HG21 THR 74 19.651 0.429 0.859 6 HG22 THR 74 HG22 THR 74 18.148 -0.378 1.311 7 HG23 THR 74 HG23 THR 74 19.698 -1.156 1.634 No H/Q in entry = 7 In of MODEL 29 1 H GLU 75 H GLU 75 20.140 -1.142 -3.026 2 HA GLU 75 HA GLU 75 18.655 -1.861 -5.279 3 HB2 GLU 75 HB2 GLU 75 21.199 -1.522 -4.930 4 HB3 GLU 75 HB3 GLU 75 21.217 -3.200 -4.442 5 HG2 GLU 75 HG2 GLU 75 20.273 -2.197 -7.107 6 HG3 GLU 75 HG3 GLU 75 21.873 -2.842 -6.771 No H/Q in entry = 6 In of MODEL 29 1 H LYS 76 H LYS 76 19.614 -3.721 -2.450 2 HA LYS 76 HA LYS 76 18.924 -6.189 -3.757 3 HB2 LYS 76 HB2 LYS 76 20.337 -5.525 -1.197 4 HB3 LYS 76 HB3 LYS 76 19.934 -7.173 -1.659 5 HG2 LYS 76 HG2 LYS 76 21.561 -7.277 -3.219 6 HG3 LYS 76 HG3 LYS 76 21.337 -5.597 -3.709 7 HD2 LYS 76 HD2 LYS 76 22.559 -4.815 -1.812 8 HD3 LYS 76 HD3 LYS 76 22.665 -6.448 -1.147 9 HE2 LYS 76 HE2 LYS 76 24.031 -7.147 -3.041 10 HE3 LYS 76 HE3 LYS 76 23.882 -5.545 -3.760 11 HZ1 LYS 76 HZ1 LYS 76 24.963 -4.688 -1.678 12 HZ2 LYS 76 HZ2 LYS 76 25.325 -6.296 -1.281 13 HZ3 LYS 76 HZ3 LYS 76 25.961 -5.605 -2.697 No H/Q in entry = 13 In of MODEL 29 1 H ASP 77 H ASP 77 17.547 -4.090 -1.314 2 HA ASP 77 HA ASP 77 15.913 -6.337 -0.395 3 HB2 ASP 77 HB2 ASP 77 15.102 -4.940 1.385 4 HB3 ASP 77 HB3 ASP 77 16.841 -4.745 1.310 No H/Q in entry = 4 In of MODEL 29 1 H GLU 78 H GLU 78 13.466 -5.725 -0.072 2 HA GLU 78 HA GLU 78 12.401 -4.409 -2.425 3 HB2 GLU 78 HB2 GLU 78 13.249 -6.687 -3.120 4 HB3 GLU 78 HB3 GLU 78 12.056 -7.401 -2.059 5 HG2 GLU 78 HG2 GLU 78 11.030 -7.526 -4.097 6 HG3 GLU 78 HG3 GLU 78 10.377 -6.002 -3.512 No H/Q in entry = 6 In of MODEL 29 1 H TYR 79 H TYR 79 10.207 -3.965 -2.146 2 HA TYR 79 HA TYR 79 9.022 -4.996 0.324 3 HB2 TYR 79 HB2 TYR 79 8.398 -2.192 -0.541 4 HB3 TYR 79 HB3 TYR 79 8.289 -2.919 1.066 5 HD1 TYR 79 HD1 TYR 79 10.762 -1.730 -1.465 6 HD2 TYR 79 HD2 TYR 79 9.972 -2.606 2.625 7 HE1 TYR 79 HE1 TYR 79 12.898 -0.693 -0.835 8 HE2 TYR 79 HE2 TYR 79 12.106 -1.561 3.260 9 HH TYR 79 HH TYR 79 14.491 -1.178 1.727 No H/Q in entry = 9 In of MODEL 29 1 H ALA 80 H ALA 80 6.660 -4.798 0.435 2 HA ALA 80 HA ALA 80 5.382 -4.810 -2.208 3 HB1 ALA 80 HB1 ALA 80 4.580 -6.973 -2.109 4 HB2 ALA 80 HB2 ALA 80 6.210 -7.152 -1.456 5 HB3 ALA 80 HB3 ALA 80 4.820 -7.090 -0.374 No H/Q in entry = 5 In of MODEL 29 1 H CYS 81 H CYS 81 2.997 -4.901 -2.089 2 HA CYS 81 HA CYS 81 1.966 -3.845 0.463 3 HB2 CYS 81 HB2 CYS 81 1.483 -3.100 -2.370 4 HB3 CYS 81 HB3 CYS 81 0.065 -3.133 -1.325 No H/Q in entry = 4 In of MODEL 29 1 H ARG 82 H ARG 82 0.424 -5.032 1.443 2 HA ARG 82 HA ARG 82 -0.872 -7.231 -0.060 3 HB2 ARG 82 HB2 ARG 82 0.719 -7.729 1.955 4 HB3 ARG 82 HB3 ARG 82 -0.607 -7.098 2.923 5 HG2 ARG 82 HG2 ARG 82 -2.095 -8.808 1.978 6 HG3 ARG 82 HG3 ARG 82 -0.721 -9.486 1.100 7 HD2 ARG 82 HD2 ARG 82 -0.852 -9.172 4.096 8 HD3 ARG 82 HD3 ARG 82 -1.235 -10.659 3.244 9 HE ARG 82 HE ARG 82 1.427 -9.401 3.130 10 HH11 ARG 82 HH11 ARG 82 -0.643 -12.182 3.522 11 HH12 ARG 82 HH12 ARG 82 0.662 -13.317 3.684 12 HH21 ARG 82 HH21 ARG 82 3.172 -10.890 3.331 13 HH22 ARG 82 HH22 ARG 82 2.839 -12.580 3.549 No H/Q in entry = 13 In of MODEL 29 1 H VAL 83 H VAL 83 -3.113 -7.187 -0.101 2 HA VAL 83 HA VAL 83 -4.407 -5.672 2.067 3 HB VAL 83 HB VAL 83 -5.904 -4.526 0.772 4 HG11 VAL 83 HG11 VAL 83 -3.430 -4.654 -0.899 5 HG12 VAL 83 HG12 VAL 83 -4.673 -3.407 -0.999 6 HG13 VAL 83 HG13 VAL 83 -3.731 -3.600 0.480 7 HG21 VAL 83 HG21 VAL 83 -6.740 -6.378 -0.554 8 HG22 VAL 83 HG22 VAL 83 -6.424 -4.971 -1.568 9 HG23 VAL 83 HG23 VAL 83 -5.293 -6.322 -1.560 No H/Q in entry = 9 In of MODEL 29 1 H ASN 84 H ASN 84 -6.195 -6.465 2.869 2 HA ASN 84 HA ASN 84 -7.090 -9.085 1.886 3 HB2 ASN 84 HB2 ASN 84 -7.309 -8.038 4.726 4 HB3 ASN 84 HB3 ASN 84 -7.627 -9.673 4.177 5 HD21 ASN 84 HD21 ASN 84 -5.076 -7.287 4.633 6 HD22 ASN 84 HD22 ASN 84 -3.791 -8.434 4.854 No H/Q in entry = 6 In of MODEL 29 1 H HIS 85 H HIS 85 -9.047 -8.869 0.863 2 HA HIS 85 HA HIS 85 -11.173 -7.679 2.459 3 HB2 HIS 85 HB2 HIS 85 -10.260 -6.174 0.472 4 HB3 HIS 85 HB3 HIS 85 -11.218 -7.276 -0.507 5 HD2 HIS 85 HD2 HIS 85 -11.869 -4.850 2.547 6 HE1 HIS 85 HE1 HIS 85 -15.327 -5.141 0.125 7 HE2 HIS 85 HE2 HIS 85 -14.203 -3.855 1.993 No H/Q in entry = 7 In of MODEL 29 1 H VAL 86 H VAL 86 -13.246 -8.592 1.911 2 HA VAL 86 HA VAL 86 -13.065 -11.393 1.574 3 HB VAL 86 HB VAL 86 -15.499 -11.429 1.644 4 HG11 VAL 86 HG11 VAL 86 -14.296 -11.168 3.742 5 HG12 VAL 86 HG12 VAL 86 -14.338 -9.415 3.561 6 HG13 VAL 86 HG13 VAL 86 -15.838 -10.314 3.791 7 HG21 VAL 86 HG21 VAL 86 -15.878 -9.480 0.177 8 HG22 VAL 86 HG22 VAL 86 -16.833 -9.417 1.660 9 HG23 VAL 86 HG23 VAL 86 -15.386 -8.420 1.497 No H/Q in entry = 9 In of MODEL 29 1 H THR 87 H THR 87 -13.407 -8.826 -0.663 2 HA THR 87 HA THR 87 -14.783 -10.115 -2.736 3 HB THR 87 HB THR 87 -13.795 -8.277 -4.115 4 HG1 THR 87 HG1 THR 87 -12.780 -6.925 -1.975 5 HG21 THR 87 HG21 THR 87 -14.937 -7.470 -1.442 6 HG22 THR 87 HG22 THR 87 -14.879 -6.447 -2.878 7 HG23 THR 87 HG23 THR 87 -15.862 -7.915 -2.876 No H/Q in entry = 7 In of MODEL 29 1 H LEU 88 H LEU 88 -11.358 -9.529 -2.178 2 HA LEU 88 HA LEU 88 -10.450 -10.697 -4.570 3 HB2 LEU 88 HB2 LEU 88 -9.010 -10.279 -1.947 4 HB3 LEU 88 HB3 LEU 88 -8.220 -10.796 -3.424 5 HG LEU 88 HG LEU 88 -9.569 -8.142 -2.924 6 HD11 LEU 88 HD11 LEU 88 -7.277 -8.490 -1.975 7 HD12 LEU 88 HD12 LEU 88 -6.708 -8.771 -3.634 8 HD13 LEU 88 HD13 LEU 88 -7.386 -7.197 -3.191 9 HD21 LEU 88 HD21 LEU 88 -8.363 -9.241 -5.459 10 HD22 LEU 88 HD22 LEU 88 -10.059 -8.846 -5.188 11 HD23 LEU 88 HD23 LEU 88 -8.848 -7.565 -5.211 No H/Q in entry = 11 In of MODEL 29 1 H SER 89 H SER 89 -11.350 -12.022 -1.524 2 HA SER 89 HA SER 89 -11.693 -14.120 -0.801 3 HB2 SER 89 HB2 SER 89 -12.777 -14.759 -2.754 4 HB3 SER 89 HB3 SER 89 -11.301 -14.706 -3.687 5 HG SER 89 HG SER 89 -11.287 -16.782 -3.347 No H/Q in entry = 5 In of MODEL 29 1 H GLN 90 H GLN 90 -8.763 -13.234 -2.304 2 HA GLN 90 HA GLN 90 -7.256 -14.800 -0.376 3 HB2 GLN 90 HB2 GLN 90 -6.254 -14.544 -3.203 4 HB3 GLN 90 HB3 GLN 90 -5.736 -15.666 -1.958 5 HG2 GLN 90 HG2 GLN 90 -7.635 -17.039 -2.270 6 HG3 GLN 90 HG3 GLN 90 -8.440 -15.810 -3.255 7 HE21 GLN 90 HE21 GLN 90 -8.699 -17.191 -4.997 8 HE22 GLN 90 HE22 GLN 90 -7.371 -17.696 -5.991 No H/Q in entry = 8 In of MODEL 29 1 HA PRO 91 HA PRO 91 -5.937 -10.485 0.092 2 HB2 PRO 91 HB2 PRO 91 -3.575 -11.952 1.212 3 HB3 PRO 91 HB3 PRO 91 -4.409 -10.506 1.820 4 HG2 PRO 91 HG2 PRO 91 -4.913 -12.824 2.955 5 HG3 PRO 91 HG3 PRO 91 -6.264 -11.728 2.553 6 HD2 PRO 91 HD2 PRO 91 -5.329 -14.218 1.129 7 HD3 PRO 91 HD3 PRO 91 -7.004 -13.655 1.426 No H/Q in entry = 7 In of MODEL 29 1 H LYS 92 H LYS 92 -4.425 -9.119 -0.856 2 HA LYS 92 HA LYS 92 -3.263 -10.386 -3.236 3 HB2 LYS 92 HB2 LYS 92 -5.237 -8.813 -3.465 4 HB3 LYS 92 HB3 LYS 92 -4.139 -7.526 -2.981 5 HG2 LYS 92 HG2 LYS 92 -4.305 -7.657 -5.397 6 HG3 LYS 92 HG3 LYS 92 -2.676 -8.091 -4.842 7 HD2 LYS 92 HD2 LYS 92 -2.851 -10.182 -5.579 8 HD3 LYS 92 HD3 LYS 92 -4.484 -10.358 -4.940 9 HE2 LYS 92 HE2 LYS 92 -4.589 -10.601 -7.318 10 HE3 LYS 92 HE3 LYS 92 -5.344 -9.069 -6.856 11 HZ1 LYS 92 HZ1 LYS 92 -2.555 -9.355 -7.859 12 HZ2 LYS 92 HZ2 LYS 92 -3.874 -8.879 -8.815 13 HZ3 LYS 92 HZ3 LYS 92 -3.368 -7.901 -7.531 No H/Q in entry = 13 In of MODEL 29 1 H ILE 93 H ILE 93 -1.149 -10.183 -3.536 2 HA ILE 93 HA ILE 93 0.244 -8.029 -2.093 3 HB ILE 93 HB ILE 93 1.360 -10.659 -3.049 4 HG12 ILE 93 HG12 ILE 93 1.960 -10.761 -0.512 5 HG13 ILE 93 HG13 ILE 93 0.690 -9.563 -0.338 6 HG21 ILE 93 HG21 ILE 93 2.973 -8.862 -3.386 7 HG22 ILE 93 HG22 ILE 93 2.802 -8.393 -1.691 8 HG23 ILE 93 HG23 ILE 93 3.491 -9.962 -2.107 9 HD11 ILE 93 HD11 ILE 93 -0.899 -11.125 -1.337 10 HD12 ILE 93 HD12 ILE 93 0.385 -12.323 -1.485 11 HD13 ILE 93 HD13 ILE 93 -0.139 -11.784 0.109 No H/Q in entry = 11 In of MODEL 29 1 H VAL 94 H VAL 94 1.112 -6.506 -3.256 2 HA VAL 94 HA VAL 94 1.984 -7.109 -5.993 3 HB VAL 94 HB VAL 94 0.702 -4.525 -5.059 4 HG11 VAL 94 HG11 VAL 94 1.943 -5.216 -7.721 5 HG12 VAL 94 HG12 VAL 94 1.010 -3.759 -7.378 6 HG13 VAL 94 HG13 VAL 94 2.546 -4.036 -6.558 7 HG21 VAL 94 HG21 VAL 94 -0.906 -6.292 -5.531 8 HG22 VAL 94 HG22 VAL 94 -0.988 -5.033 -6.763 9 HG23 VAL 94 HG23 VAL 94 -0.171 -6.557 -7.112 No H/Q in entry = 9 In of MODEL 29 1 H LYS 95 H LYS 95 4.027 -6.640 -6.346 2 HA LYS 95 HA LYS 95 5.544 -5.759 -4.029 3 HB2 LYS 95 HB2 LYS 95 7.187 -7.089 -4.779 4 HB3 LYS 95 HB3 LYS 95 5.988 -7.719 -5.890 5 HG2 LYS 95 HG2 LYS 95 6.831 -6.452 -7.674 6 HG3 LYS 95 HG3 LYS 95 7.761 -5.407 -6.590 7 HD2 LYS 95 HD2 LYS 95 8.892 -7.608 -5.857 8 HD3 LYS 95 HD3 LYS 95 8.268 -8.244 -7.369 9 HE2 LYS 95 HE2 LYS 95 10.666 -7.190 -7.196 10 HE3 LYS 95 HE3 LYS 95 9.676 -6.979 -8.643 11 HZ1 LYS 95 HZ1 LYS 95 8.924 -4.846 -7.403 12 HZ2 LYS 95 HZ2 LYS 95 10.371 -5.038 -6.536 13 HZ3 LYS 95 HZ3 LYS 95 10.398 -4.866 -8.227 No H/Q in entry = 13 In of MODEL 29 1 H TRP 96 H TRP 96 6.906 -3.991 -3.982 2 HA TRP 96 HA TRP 96 6.138 -1.853 -5.786 3 HB2 TRP 96 HB2 TRP 96 6.289 -1.407 -3.348 4 HB3 TRP 96 HB3 TRP 96 7.983 -1.887 -3.355 5 HD1 TRP 96 HD1 TRP 96 5.699 0.930 -4.714 6 HE1 TRP 96 HE1 TRP 96 7.161 3.011 -5.094 7 HE3 TRP 96 HE3 TRP 96 10.279 -1.090 -3.673 8 HZ2 TRP 96 HZ2 TRP 96 9.887 3.704 -4.978 9 HZ3 TRP 96 HZ3 TRP 96 12.269 0.341 -3.834 10 HH2 TRP 96 HH2 TRP 96 12.071 2.708 -4.479 No H/Q in entry = 10 In of MODEL 29 1 H ASP 97 H ASP 97 7.535 -0.955 -7.285 2 HA ASP 97 HA ASP 97 10.261 -2.008 -7.332 3 HB2 ASP 97 HB2 ASP 97 10.188 -2.443 -9.704 4 HB3 ASP 97 HB3 ASP 97 8.891 -3.341 -8.916 No H/Q in entry = 4 In of MODEL 29 1 H ARG 98 H ARG 98 11.756 -0.762 -8.324 2 HA ARG 98 HA ARG 98 10.949 1.969 -8.993 3 HB2 ARG 98 HB2 ARG 98 12.915 2.818 -7.995 4 HB3 ARG 98 HB3 ARG 98 12.256 1.682 -6.846 5 HG2 ARG 98 HG2 ARG 98 14.366 0.965 -6.695 6 HG3 ARG 98 HG3 ARG 98 13.992 0.095 -8.184 7 HD2 ARG 98 HD2 ARG 98 16.130 1.415 -8.236 8 HD3 ARG 98 HD3 ARG 98 14.982 1.795 -9.525 9 HE ARG 98 HE ARG 98 15.275 3.459 -7.103 10 HH11 ARG 98 HH11 ARG 98 15.013 3.098 -10.574 11 HH12 ARG 98 HH12 ARG 98 14.885 4.806 -10.868 12 HH21 ARG 98 HH21 ARG 98 15.125 5.722 -7.482 13 HH22 ARG 98 HH22 ARG 98 14.966 6.298 -9.113 No H/Q in entry = 13 In of MODEL 29 1 H ASP 99 H ASP 99 12.935 -0.795 -9.721 2 HA ASP 99 HA ASP 99 12.920 0.020 -12.516 3 HB2 ASP 99 HB2 ASP 99 15.365 -0.485 -10.884 4 HB3 ASP 99 HB3 ASP 99 15.334 -1.126 -12.523 No H/Q in entry = 4 In of MODEL 29 1 H MET 100 H MET 100 12.894 -2.318 -10.025 2 HA MET 100 HA MET 100 13.292 -4.580 -11.801 3 HB2 MET 100 HB2 MET 100 12.660 -4.780 -8.866 4 HB3 MET 100 HB3 MET 100 13.621 -5.861 -9.867 5 HG2 MET 100 HG2 MET 100 14.419 -3.090 -9.003 6 HG3 MET 100 HG3 MET 100 15.003 -4.603 -8.302 7 HE1 MET 100 HE1 MET 100 16.563 -6.314 -9.549 8 HE2 MET 100 HE2 MET 100 15.402 -6.455 -10.868 9 HE3 MET 100 HE3 MET 100 17.100 -6.132 -11.219 No H/Q in entry = 9 In of MODEL 30 1 HA ILE 2 HA ILE 2 -21.876 -6.767 -1.496 2 HB ILE 2 HB ILE 2 -22.034 -5.856 -3.849 3 HG12 ILE 2 HG12 ILE 2 -24.176 -4.109 -2.608 4 HG13 ILE 2 HG13 ILE 2 -22.685 -3.545 -3.356 5 HG21 ILE 2 HG21 ILE 2 -24.588 -6.685 -2.484 6 HG22 ILE 2 HG22 ILE 2 -24.299 -6.740 -4.223 7 HG23 ILE 2 HG23 ILE 2 -23.347 -7.754 -3.136 8 HD11 ILE 2 HD11 ILE 2 -23.445 -4.404 -5.508 9 HD12 ILE 2 HD12 ILE 2 -24.941 -4.957 -4.759 10 HD13 ILE 2 HD13 ILE 2 -24.577 -3.232 -4.833 No H/Q in entry = 10 In of MODEL 30 1 H GLN 3 H GLN 3 -20.132 -5.983 -3.195 2 HA GLN 3 HA GLN 3 -18.757 -3.602 -2.501 3 HB2 GLN 3 HB2 GLN 3 -16.725 -5.226 -1.703 4 HB3 GLN 3 HB3 GLN 3 -17.717 -4.299 -0.580 5 HG2 GLN 3 HG2 GLN 3 -18.550 -7.062 -1.337 6 HG3 GLN 3 HG3 GLN 3 -17.227 -6.844 -0.196 7 HE21 GLN 3 HE21 GLN 3 -19.875 -8.001 0.226 8 HE22 GLN 3 HE22 GLN 3 -20.619 -7.052 1.470 No H/Q in entry = 8 In of MODEL 30 1 H ARG 4 H ARG 4 -18.440 -3.535 -4.852 2 HA ARG 4 HA ARG 4 -16.840 -5.117 -6.278 3 HB2 ARG 4 HB2 ARG 4 -16.892 -3.432 -7.718 4 HB3 ARG 4 HB3 ARG 4 -17.727 -2.510 -6.487 5 HG2 ARG 4 HG2 ARG 4 -15.539 -1.613 -5.714 6 HG3 ARG 4 HG3 ARG 4 -14.717 -2.484 -6.965 7 HD2 ARG 4 HD2 ARG 4 -16.722 -0.212 -7.342 8 HD3 ARG 4 HD3 ARG 4 -15.007 -0.248 -7.779 9 HE ARG 4 HE ARG 4 -15.761 -2.127 -9.361 10 HH11 ARG 4 HH11 ARG 4 -17.678 0.673 -8.493 11 HH12 ARG 4 HH12 ARG 4 -18.580 0.684 -9.978 12 HH21 ARG 4 HH21 ARG 4 -16.954 -2.144 -11.301 13 HH22 ARG 4 HH22 ARG 4 -18.184 -0.940 -11.576 No H/Q in entry = 13 In of MODEL 30 1 H THR 5 H THR 5 -14.390 -4.266 -6.954 2 HA THR 5 HA THR 5 -13.092 -5.632 -4.721 3 HB THR 5 HB THR 5 -11.611 -6.649 -6.389 4 HG1 THR 5 HG1 THR 5 -11.767 -4.788 -7.863 5 HG21 THR 5 HG21 THR 5 -14.570 -6.861 -6.875 6 HG22 THR 5 HG22 THR 5 -13.413 -7.816 -7.805 7 HG23 THR 5 HG23 THR 5 -13.491 -7.991 -6.058 No H/Q in entry = 7 In of MODEL 30 1 HA PRO 6 HA PRO 6 -10.443 -2.019 -4.602 2 HB2 PRO 6 HB2 PRO 6 -8.886 -3.210 -2.516 3 HB3 PRO 6 HB3 PRO 6 -10.095 -1.929 -2.383 4 HG2 PRO 6 HG2 PRO 6 -10.357 -4.541 -1.387 5 HG3 PRO 6 HG3 PRO 6 -11.664 -3.350 -1.591 6 HD2 PRO 6 HD2 PRO 6 -10.953 -5.703 -3.274 7 HD3 PRO 6 HD3 PRO 6 -12.518 -4.886 -3.046 No H/Q in entry = 7 In of MODEL 30 1 H LYS 7 H LYS 7 -8.770 -1.609 -5.808 2 HA LYS 7 HA LYS 7 -7.093 -3.863 -6.649 3 HB2 LYS 7 HB2 LYS 7 -8.394 -2.607 -8.383 4 HB3 LYS 7 HB3 LYS 7 -7.480 -1.162 -7.978 5 HG2 LYS 7 HG2 LYS 7 -5.450 -2.137 -8.779 6 HG3 LYS 7 HG3 LYS 7 -6.228 -3.709 -8.981 7 HD2 LYS 7 HD2 LYS 7 -6.901 -1.186 -10.498 8 HD3 LYS 7 HD3 LYS 7 -5.994 -2.563 -11.125 9 HE2 LYS 7 HE2 LYS 7 -7.960 -4.000 -10.746 10 HE3 LYS 7 HE3 LYS 7 -8.860 -2.593 -10.187 11 HZ1 LYS 7 HZ1 LYS 7 -8.557 -1.597 -12.381 12 HZ2 LYS 7 HZ2 LYS 7 -7.730 -2.981 -12.907 13 HZ3 LYS 7 HZ3 LYS 7 -9.369 -3.080 -12.482 No H/Q in entry = 13 In of MODEL 30 1 H ILE 8 H ILE 8 -4.780 -3.361 -7.058 2 HA ILE 8 HA ILE 8 -3.837 -1.994 -4.644 3 HB ILE 8 HB ILE 8 -2.110 -3.777 -6.321 4 HG12 ILE 8 HG12 ILE 8 -4.100 -5.105 -6.011 5 HG13 ILE 8 HG13 ILE 8 -2.871 -5.695 -4.904 6 HG21 ILE 8 HG21 ILE 8 -2.237 -3.154 -3.374 7 HG22 ILE 8 HG22 ILE 8 -1.087 -4.255 -4.130 8 HG23 ILE 8 HG23 ILE 8 -1.057 -2.536 -4.530 9 HD11 ILE 8 HD11 ILE 8 -5.135 -3.859 -4.182 10 HD12 ILE 8 HD12 ILE 8 -5.065 -5.593 -3.867 11 HD13 ILE 8 HD13 ILE 8 -3.922 -4.506 -3.076 No H/Q in entry = 11 In of MODEL 30 1 H GLN 9 H GLN 9 -2.797 -0.158 -4.775 2 HA GLN 9 HA GLN 9 -1.118 0.352 -7.132 3 HB2 GLN 9 HB2 GLN 9 -2.932 2.250 -5.655 4 HB3 GLN 9 HB3 GLN 9 -1.630 2.815 -6.709 5 HG2 GLN 9 HG2 GLN 9 -2.678 1.788 -8.611 6 HG3 GLN 9 HG3 GLN 9 -3.899 1.036 -7.582 7 HE21 GLN 9 HE21 GLN 9 -4.160 3.365 -5.888 8 HE22 GLN 9 HE22 GLN 9 -5.065 4.538 -6.794 No H/Q in entry = 8 In of MODEL 30 1 H VAL 10 H VAL 10 0.934 0.409 -6.511 2 HA VAL 10 HA VAL 10 1.634 1.697 -3.987 3 HB VAL 10 HB VAL 10 1.670 -0.550 -3.248 4 HG11 VAL 10 HG11 VAL 10 1.462 -1.589 -5.466 5 HG12 VAL 10 HG12 VAL 10 3.187 -1.332 -5.726 6 HG13 VAL 10 HG13 VAL 10 2.639 -2.401 -4.432 7 HG21 VAL 10 HG21 VAL 10 4.460 0.216 -4.095 8 HG22 VAL 10 HG22 VAL 10 3.666 0.576 -2.560 9 HG23 VAL 10 HG23 VAL 10 4.085 -1.088 -2.968 No H/Q in entry = 9 In of MODEL 30 1 H TYR 11 H TYR 11 3.307 2.996 -4.137 2 HA TYR 11 HA TYR 11 5.375 2.668 -6.109 3 HB2 TYR 11 HB2 TYR 11 4.972 4.839 -7.235 4 HB3 TYR 11 HB3 TYR 11 3.653 3.708 -7.508 5 HD1 TYR 11 HD1 TYR 11 1.436 4.177 -6.702 6 HD2 TYR 11 HD2 TYR 11 4.663 6.779 -5.736 7 HE1 TYR 11 HE1 TYR 11 -0.167 5.867 -5.911 8 HE2 TYR 11 HE2 TYR 11 3.069 8.472 -4.942 9 HH TYR 11 HH TYR 11 -0.253 7.765 -4.447 No H/Q in entry = 9 In of MODEL 30 1 H SER 12 H SER 12 6.932 4.596 -5.938 2 HA SER 12 HA SER 12 7.259 5.237 -3.129 3 HB2 SER 12 HB2 SER 12 9.208 4.526 -4.505 4 HB3 SER 12 HB3 SER 12 9.005 5.975 -5.492 5 HG SER 12 HG SER 12 10.267 5.708 -3.138 No H/Q in entry = 5 In of MODEL 30 1 H ARG 13 H ARG 13 6.882 7.171 -2.233 2 HA ARG 13 HA ARG 13 5.071 8.907 -3.571 3 HB2 ARG 13 HB2 ARG 13 5.670 8.380 -0.979 4 HB3 ARG 13 HB3 ARG 13 6.467 9.935 -1.166 5 HG2 ARG 13 HG2 ARG 13 3.570 9.238 -1.266 6 HG3 ARG 13 HG3 ARG 13 4.373 10.580 -0.454 7 HD2 ARG 13 HD2 ARG 13 3.875 11.905 -2.183 8 HD3 ARG 13 HD3 ARG 13 4.769 10.834 -3.251 9 HE ARG 13 HE ARG 13 2.549 9.511 -3.230 10 HH11 ARG 13 HH11 ARG 13 2.871 12.994 -3.176 11 HH12 ARG 13 HH12 ARG 13 1.380 13.266 -4.032 12 HH21 ARG 13 HH21 ARG 13 0.590 9.862 -4.369 13 HH22 ARG 13 HH22 ARG 13 0.071 11.497 -4.681 No H/Q in entry = 13 In of MODEL 30 1 H HIS 14 H HIS 14 8.428 9.346 -2.580 2 HA HIS 14 HA HIS 14 8.682 11.454 -4.607 3 HB2 HIS 14 HB2 HIS 14 9.724 11.326 -1.804 4 HB3 HIS 14 HB3 HIS 14 10.721 12.126 -3.013 5 HD2 HIS 14 HD2 HIS 14 7.486 13.150 -4.256 6 HE1 HIS 14 HE1 HIS 14 8.171 15.780 -1.013 7 HE2 HIS 14 HE2 HIS 14 6.970 15.476 -3.224 No H/Q in entry = 7 In of MODEL 30 1 HA PRO 15 HA PRO 15 12.110 9.406 -6.617 2 HB2 PRO 15 HB2 PRO 15 14.470 10.560 -5.557 3 HB3 PRO 15 HB3 PRO 15 13.641 11.009 -7.060 4 HG2 PRO 15 HG2 PRO 15 13.514 12.313 -4.359 5 HG3 PRO 15 HG3 PRO 15 13.340 13.035 -5.990 6 HD2 PRO 15 HD2 PRO 15 11.211 12.636 -4.372 7 HD3 PRO 15 HD3 PRO 15 11.092 12.444 -6.148 No H/Q in entry = 7 In of MODEL 30 1 H ALA 16 H ALA 16 12.726 7.407 -6.201 2 HA ALA 16 HA ALA 16 13.164 6.539 -3.478 3 HB1 ALA 16 HB1 ALA 16 11.743 5.215 -4.964 4 HB2 ALA 16 HB2 ALA 16 13.111 4.966 -6.052 5 HB3 ALA 16 HB3 ALA 16 13.143 4.287 -4.425 No H/Q in entry = 5 In of MODEL 30 1 H GLU 17 H GLU 17 15.166 6.720 -2.638 2 HA GLU 17 HA GLU 17 17.446 6.356 -4.447 3 HB2 GLU 17 HB2 GLU 17 16.967 8.680 -3.499 4 HB3 GLU 17 HB3 GLU 17 17.449 8.022 -1.938 5 HG2 GLU 17 HG2 GLU 17 19.292 9.189 -3.007 6 HG3 GLU 17 HG3 GLU 17 19.638 7.466 -2.848 No H/Q in entry = 6 In of MODEL 30 1 H ASN 18 H ASN 18 18.751 4.719 -3.980 2 HA ASN 18 HA ASN 18 18.330 3.132 -1.621 3 HB2 ASN 18 HB2 ASN 18 18.816 1.796 -3.432 4 HB3 ASN 18 HB3 ASN 18 20.042 2.894 -4.068 5 HD21 ASN 18 HD21 ASN 18 21.613 1.381 -4.319 6 HD22 ASN 18 HD22 ASN 18 22.378 0.557 -2.999 No H/Q in entry = 6 In of MODEL 30 1 H GLY 19 H GLY 19 19.417 3.095 0.199 2 HA2 GLY 19 HA2 GLY 19 22.010 4.382 0.488 3 HA3 GLY 19 HA3 GLY 19 21.095 3.557 1.760 No H/Q in entry = 3 In of MODEL 30 1 H LYS 20 H LYS 20 18.714 5.142 0.737 2 HA LYS 20 HA LYS 20 19.227 7.597 2.244 3 HB2 LYS 20 HB2 LYS 20 19.631 7.855 -0.262 4 HB3 LYS 20 HB3 LYS 20 17.914 7.556 -0.466 5 HG2 LYS 20 HG2 LYS 20 18.201 9.889 -0.526 6 HG3 LYS 20 HG3 LYS 20 17.470 9.502 1.039 7 HD2 LYS 20 HD2 LYS 20 19.689 9.655 2.093 8 HD3 LYS 20 HD3 LYS 20 20.398 10.054 0.531 9 HE2 LYS 20 HE2 LYS 20 18.244 11.692 1.870 10 HE3 LYS 20 HE3 LYS 20 19.968 12.028 2.011 11 HZ1 LYS 20 HZ1 LYS 20 18.513 11.908 -0.578 12 HZ2 LYS 20 HZ2 LYS 20 18.817 13.339 0.277 13 HZ3 LYS 20 HZ3 LYS 20 20.110 12.420 -0.316 No H/Q in entry = 13 In of MODEL 30 1 H SER 21 H SER 21 17.409 8.401 3.247 2 HA SER 21 HA SER 21 15.251 6.680 3.724 3 HB2 SER 21 HB2 SER 21 14.338 8.647 4.949 4 HB3 SER 21 HB3 SER 21 16.031 8.322 5.330 5 HG SER 21 HG SER 21 15.405 10.130 3.273 No H/Q in entry = 5 In of MODEL 30 1 H ASN 22 H ASN 22 13.207 6.649 2.966 2 HA ASN 22 HA ASN 22 12.414 8.477 0.806 3 HB2 ASN 22 HB2 ASN 22 13.671 6.344 -0.069 4 HB3 ASN 22 HB3 ASN 22 12.264 5.467 0.496 5 HD21 ASN 22 HD21 ASN 22 11.901 8.671 -0.900 6 HD22 ASN 22 HD22 ASN 22 11.175 8.117 -2.372 No H/Q in entry = 6 In of MODEL 30 1 H PHE 23 H PHE 23 10.010 7.800 0.132 2 HA PHE 23 HA PHE 23 8.606 6.831 2.522 3 HB2 PHE 23 HB2 PHE 23 7.869 9.170 0.749 4 HB3 PHE 23 HB3 PHE 23 6.728 8.388 1.833 5 HD1 PHE 23 HD1 PHE 23 10.108 9.982 1.923 6 HD2 PHE 23 HD2 PHE 23 6.405 9.268 3.892 7 HE1 PHE 23 HE1 PHE 23 10.790 11.486 3.746 8 HE2 PHE 23 HE2 PHE 23 7.080 10.772 5.716 9 HZ PHE 23 HZ PHE 23 9.277 11.873 5.648 No H/Q in entry = 9 In of MODEL 30 1 H LEU 24 H LEU 24 7.253 5.207 2.110 2 HA LEU 24 HA LEU 24 6.790 4.469 -0.711 3 HB2 LEU 24 HB2 LEU 24 7.814 2.666 0.678 4 HB3 LEU 24 HB3 LEU 24 6.546 2.908 1.863 5 HG LEU 24 HG LEU 24 4.857 2.051 0.263 6 HD11 LEU 24 HD11 LEU 24 7.246 1.506 -1.501 7 HD12 LEU 24 HD12 LEU 24 5.610 0.905 -1.768 8 HD13 LEU 24 HD13 LEU 24 5.933 2.635 -1.831 9 HD21 LEU 24 HD21 LEU 24 5.940 0.567 1.879 10 HD22 LEU 24 HD22 LEU 24 5.521 -0.276 0.388 11 HD23 LEU 24 HD23 LEU 24 7.192 0.192 0.698 No H/Q in entry = 11 In of MODEL 30 1 H ASN 25 H ASN 25 4.746 4.288 -1.503 2 HA ASN 25 HA ASN 25 2.583 5.115 0.310 3 HB2 ASN 25 HB2 ASN 25 3.168 7.052 -0.980 4 HB3 ASN 25 HB3 ASN 25 3.183 6.122 -2.478 5 HD21 ASN 25 HD21 ASN 25 1.295 7.853 -0.195 6 HD22 ASN 25 HD22 ASN 25 -0.219 7.703 -1.018 No H/Q in entry = 6 In of MODEL 30 1 H CYS 26 H CYS 26 0.862 3.865 0.291 2 HA CYS 26 HA CYS 26 0.403 2.070 -1.993 3 HB2 CYS 26 HB2 CYS 26 1.318 1.105 0.295 4 HB3 CYS 26 HB3 CYS 26 -0.374 1.250 0.773 No H/Q in entry = 4 In of MODEL 30 1 H TYR 27 H TYR 27 -1.511 2.408 -2.895 2 HA TYR 27 HA TYR 27 -3.558 3.910 -1.376 3 HB2 TYR 27 HB2 TYR 27 -2.308 4.411 -3.988 4 HB3 TYR 27 HB3 TYR 27 -4.059 4.414 -4.047 5 HD1 TYR 27 HD1 TYR 27 -1.220 6.392 -3.587 6 HD2 TYR 27 HD2 TYR 27 -5.204 5.949 -2.152 7 HE1 TYR 27 HE1 TYR 27 -1.240 8.749 -2.931 8 HE2 TYR 27 HE2 TYR 27 -5.232 8.322 -1.511 9 HH TYR 27 HH TYR 27 -3.568 10.090 -0.915 No H/Q in entry = 9 In of MODEL 30 1 H VAL 28 H VAL 28 -4.985 2.274 -0.892 2 HA VAL 28 HA VAL 28 -5.800 0.539 -3.121 3 HB VAL 28 HB VAL 28 -6.657 0.027 -0.294 4 HG11 VAL 28 HG11 VAL 28 -6.087 -1.686 -2.701 5 HG12 VAL 28 HG12 VAL 28 -6.533 -2.315 -1.111 6 HG13 VAL 28 HG13 VAL 28 -7.663 -1.303 -2.006 7 HG21 VAL 28 HG21 VAL 28 -3.967 -0.704 -1.455 8 HG22 VAL 28 HG22 VAL 28 -4.276 0.293 -0.028 9 HG23 VAL 28 HG23 VAL 28 -4.659 -1.432 0.000 No H/Q in entry = 9 In of MODEL 30 1 H SER 29 H SER 29 -7.586 1.187 -4.145 2 HA SER 29 HA SER 29 -9.808 2.297 -2.624 3 HB2 SER 29 HB2 SER 29 -9.991 4.156 -4.379 4 HB3 SER 29 HB3 SER 29 -8.704 4.320 -3.183 5 HG SER 29 HG SER 29 -7.240 3.538 -4.723 No H/Q in entry = 5 In of MODEL 30 1 H GLY 30 H GLY 30 -11.740 2.667 -4.185 2 HA2 GLY 30 HA2 GLY 30 -11.787 0.939 -6.501 3 HA3 GLY 30 HA3 GLY 30 -13.155 1.821 -5.821 No H/Q in entry = 3 In of MODEL 30 1 H PHE 31 H PHE 31 -14.606 0.578 -4.515 2 HA PHE 31 HA PHE 31 -14.585 -1.889 -3.870 3 HB2 PHE 31 HB2 PHE 31 -13.414 -2.435 -1.891 4 HB3 PHE 31 HB3 PHE 31 -12.268 -1.764 -3.032 5 HD1 PHE 31 HD1 PHE 31 -14.154 -0.977 0.071 6 HD2 PHE 31 HD2 PHE 31 -10.898 0.017 -2.481 7 HE1 PHE 31 HE1 PHE 31 -13.219 0.470 1.825 8 HE2 PHE 31 HE2 PHE 31 -9.972 1.478 -0.738 9 HZ PHE 31 HZ PHE 31 -11.120 1.693 1.426 No H/Q in entry = 9 In of MODEL 30 1 H HIS 32 H HIS 32 -15.655 -2.454 -1.669 2 HA HIS 32 HA HIS 32 -16.723 -0.189 -0.226 3 HB2 HIS 32 HB2 HIS 32 -18.713 -2.262 -1.259 4 HB3 HIS 32 HB3 HIS 32 -19.066 -0.812 -0.341 5 HD2 HIS 32 HD2 HIS 32 -18.973 1.602 -1.809 6 HE1 HIS 32 HE1 HIS 32 -19.084 -0.375 -5.550 7 HE2 HIS 32 HE2 HIS 32 -19.534 1.807 -4.337 No H/Q in entry = 7 In of MODEL 30 1 HA PRO 33 HA PRO 33 -18.524 -0.238 1.608 2 HB2 PRO 33 HB2 PRO 33 -17.922 -0.616 4.429 3 HB3 PRO 33 HB3 PRO 33 -19.484 -0.643 3.611 4 HG2 PRO 33 HG2 PRO 33 -18.383 -2.860 4.676 5 HG3 PRO 33 HG3 PRO 33 -19.384 -2.910 3.211 6 HD2 PRO 33 HD2 PRO 33 -16.394 -2.925 3.460 7 HD3 PRO 33 HD3 PRO 33 -17.442 -3.939 2.437 No H/Q in entry = 7 In of MODEL 30 1 H SER 34 H SER 34 -17.826 1.299 3.895 2 HA SER 34 HA SER 34 -15.563 2.759 2.968 3 HB2 SER 34 HB2 SER 34 -15.899 4.124 5.059 4 HB3 SER 34 HB3 SER 34 -17.373 3.912 4.097 5 HG SER 34 HG SER 34 -16.638 2.431 6.416 No H/Q in entry = 5 In of MODEL 30 1 H ASP 35 H ASP 35 -14.595 0.170 3.471 2 HA ASP 35 HA ASP 35 -12.401 0.813 5.231 3 HB2 ASP 35 HB2 ASP 35 -13.704 0.268 7.050 4 HB3 ASP 35 HB3 ASP 35 -14.565 -1.011 6.200 No H/Q in entry = 4 In of MODEL 30 1 H ILE 36 H ILE 36 -10.627 -0.248 4.830 2 HA ILE 36 HA ILE 36 -10.662 -3.018 3.982 3 HB ILE 36 HB ILE 36 -10.587 -1.571 1.840 4 HG12 ILE 36 HG12 ILE 36 -8.682 -3.744 2.607 5 HG13 ILE 36 HG13 ILE 36 -10.034 -3.807 1.489 6 HG21 ILE 36 HG21 ILE 36 -7.798 -1.100 2.885 7 HG22 ILE 36 HG22 ILE 36 -8.341 -0.727 1.249 8 HG23 ILE 36 HG23 ILE 36 -9.035 0.132 2.624 9 HD11 ILE 36 HD11 ILE 36 -8.719 -2.545 -0.153 10 HD12 ILE 36 HD12 ILE 36 -7.367 -2.510 0.979 11 HD13 ILE 36 HD13 ILE 36 -7.925 -4.046 0.322 No H/Q in entry = 11 In of MODEL 30 1 H GLU 37 H GLU 37 -8.562 -4.083 4.299 2 HA GLU 37 HA GLU 37 -6.766 -2.552 6.048 3 HB2 GLU 37 HB2 GLU 37 -8.063 -4.571 7.000 4 HB3 GLU 37 HB3 GLU 37 -7.031 -5.549 5.964 5 HG2 GLU 37 HG2 GLU 37 -5.933 -5.617 8.010 6 HG3 GLU 37 HG3 GLU 37 -5.078 -4.336 7.147 No H/Q in entry = 6 In of MODEL 30 1 H VAL 38 H VAL 38 -4.752 -2.301 5.275 2 HA VAL 38 HA VAL 38 -3.716 -4.238 3.365 3 HB VAL 38 HB VAL 38 -3.994 -2.863 1.646 4 HG11 VAL 38 HG11 VAL 38 -4.421 -0.614 3.584 5 HG12 VAL 38 HG12 VAL 38 -4.671 -0.520 1.840 6 HG13 VAL 38 HG13 VAL 38 -5.652 -1.614 2.816 7 HG21 VAL 38 HG21 VAL 38 -1.889 -1.182 3.007 8 HG22 VAL 38 HG22 VAL 38 -1.618 -2.489 1.862 9 HG23 VAL 38 HG23 VAL 38 -2.392 -0.994 1.324 No H/Q in entry = 9 In of MODEL 30 1 H ASP 39 H ASP 39 -1.632 -4.636 3.472 2 HA ASP 39 HA ASP 39 -0.102 -3.249 5.569 3 HB2 ASP 39 HB2 ASP 39 0.039 -5.077 6.851 4 HB3 ASP 39 HB3 ASP 39 -1.138 -5.838 5.807 No H/Q in entry = 4 In of MODEL 30 1 H LEU 40 H LEU 40 2.174 -3.343 5.361 2 HA LEU 40 HA LEU 40 2.962 -3.559 2.545 3 HB2 LEU 40 HB2 LEU 40 4.363 -2.058 4.747 4 HB3 LEU 40 HB3 LEU 40 4.668 -1.939 3.020 5 HG LEU 40 HG LEU 40 2.232 -0.944 4.498 6 HD11 LEU 40 HD11 LEU 40 4.237 0.417 4.796 7 HD12 LEU 40 HD12 LEU 40 4.433 0.515 3.047 8 HD13 LEU 40 HD13 LEU 40 3.033 1.259 3.820 9 HD21 LEU 40 HD21 LEU 40 2.851 -0.850 1.556 10 HD22 LEU 40 HD22 LEU 40 1.538 -1.743 2.328 11 HD23 LEU 40 HD23 LEU 40 1.538 0.024 2.355 No H/Q in entry = 11 In of MODEL 30 1 H LEU 41 H LEU 41 4.704 -4.796 1.970 2 HA LEU 41 HA LEU 41 5.783 -6.493 4.114 3 HB2 LEU 41 HB2 LEU 41 5.710 -7.301 1.245 4 HB3 LEU 41 HB3 LEU 41 5.903 -8.298 2.647 5 HG LEU 41 HG LEU 41 3.332 -6.899 1.945 6 HD11 LEU 41 HD11 LEU 41 3.972 -8.544 0.245 7 HD12 LEU 41 HD12 LEU 41 4.157 -9.767 1.502 8 HD13 LEU 41 HD13 LEU 41 2.568 -9.077 1.166 9 HD21 LEU 41 HD21 LEU 41 3.625 -7.423 4.326 10 HD22 LEU 41 HD22 LEU 41 2.361 -8.408 3.590 11 HD23 LEU 41 HD23 LEU 41 3.950 -9.105 3.910 No H/Q in entry = 11 In of MODEL 30 1 H LYS 42 H LYS 42 7.660 -7.713 3.283 2 HA LYS 42 HA LYS 42 9.607 -6.241 1.742 3 HB2 LYS 42 HB2 LYS 42 10.310 -7.114 4.537 4 HB3 LYS 42 HB3 LYS 42 11.323 -6.219 3.419 5 HG2 LYS 42 HG2 LYS 42 9.712 -4.300 3.531 6 HG3 LYS 42 HG3 LYS 42 8.778 -5.225 4.688 7 HD2 LYS 42 HD2 LYS 42 11.711 -4.595 5.198 8 HD3 LYS 42 HD3 LYS 42 10.389 -3.524 5.704 9 HE2 LYS 42 HE2 LYS 42 9.432 -5.305 7.047 10 HE3 LYS 42 HE3 LYS 42 10.671 -6.423 6.485 11 HZ1 LYS 42 HZ1 LYS 42 12.337 -4.923 7.515 12 HZ2 LYS 42 HZ2 LYS 42 11.067 -4.016 8.183 13 HZ3 LYS 42 HZ3 LYS 42 11.283 -5.636 8.633 No H/Q in entry = 13 In of MODEL 30 1 H ASN 43 H ASN 43 9.875 -7.800 0.354 2 HA ASN 43 HA ASN 43 10.457 -9.756 -0.619 3 HB2 ASN 43 HB2 ASN 43 11.529 -10.539 2.110 4 HB3 ASN 43 HB3 ASN 43 11.930 -11.333 0.591 5 HD21 ASN 43 HD21 ASN 43 12.494 -8.651 2.659 6 HD22 ASN 43 HD22 ASN 43 13.775 -7.908 1.753 No H/Q in entry = 6 In of MODEL 30 1 H GLY 44 H GLY 44 8.525 -9.798 2.218 2 HA2 GLY 44 HA2 GLY 44 7.626 -12.532 1.952 3 HA3 GLY 44 HA3 GLY 44 6.464 -11.324 1.378 No H/Q in entry = 3 In of MODEL 30 1 H GLU 45 H GLU 45 8.260 -9.947 3.801 2 HA GLU 45 HA GLU 45 6.609 -11.010 5.973 3 HB2 GLU 45 HB2 GLU 45 8.356 -10.395 7.454 4 HB3 GLU 45 HB3 GLU 45 9.105 -11.127 6.046 5 HG2 GLU 45 HG2 GLU 45 9.777 -9.020 5.189 6 HG3 GLU 45 HG3 GLU 45 8.871 -8.165 6.436 No H/Q in entry = 6 In of MODEL 30 1 H ARG 46 H ARG 46 5.554 -9.642 7.385 2 HA ARG 46 HA ARG 46 4.542 -7.227 6.314 3 HB2 ARG 46 HB2 ARG 46 3.195 -8.684 7.712 4 HB3 ARG 46 HB3 ARG 46 4.303 -8.478 9.051 5 HG2 ARG 46 HG2 ARG 46 3.546 -6.367 9.504 6 HG3 ARG 46 HG3 ARG 46 2.885 -6.140 7.871 7 HD2 ARG 46 HD2 ARG 46 1.816 -8.072 9.941 8 HD3 ARG 46 HD3 ARG 46 1.031 -6.590 9.423 9 HE ARG 46 HE ARG 46 1.381 -7.966 7.115 10 HH11 ARG 46 HH11 ARG 46 -0.212 -8.600 10.166 11 HH12 ARG 46 HH12 ARG 46 -1.374 -9.689 9.479 12 HH21 ARG 46 HH21 ARG 46 -0.171 -9.358 6.199 13 HH22 ARG 46 HH22 ARG 46 -1.357 -10.126 7.220 No H/Q in entry = 13 In of MODEL 30 1 H ILE 47 H ILE 47 5.028 -5.160 6.697 2 HA ILE 47 HA ILE 47 7.332 -4.455 8.328 3 HB ILE 47 HB ILE 47 5.517 -2.722 6.630 4 HG12 ILE 47 HG12 ILE 47 8.318 -3.655 6.024 5 HG13 ILE 47 HG13 ILE 47 6.874 -4.391 5.335 6 HG21 ILE 47 HG21 ILE 47 8.145 -2.098 7.976 7 HG22 ILE 47 HG22 ILE 47 7.316 -1.036 6.836 8 HG23 ILE 47 HG23 ILE 47 6.563 -1.429 8.385 9 HD11 ILE 47 HD11 ILE 47 7.649 -1.500 4.998 10 HD12 ILE 47 HD12 ILE 47 7.963 -2.768 3.816 11 HD13 ILE 47 HD13 ILE 47 6.308 -2.334 4.218 No H/Q in entry = 11 In of MODEL 30 1 H GLU 48 H GLU 48 7.184 -3.285 10.223 2 HA GLU 48 HA GLU 48 4.494 -3.118 11.325 3 HB2 GLU 48 HB2 GLU 48 5.837 -2.754 13.507 4 HB3 GLU 48 HB3 GLU 48 5.746 -4.358 12.804 5 HG2 GLU 48 HG2 GLU 48 8.055 -2.499 12.384 6 HG3 GLU 48 HG3 GLU 48 7.980 -3.660 13.694 No H/Q in entry = 6 In of MODEL 30 1 H LYS 49 H LYS 49 7.339 -1.020 10.791 2 HA LYS 49 HA LYS 49 6.311 1.290 11.942 3 HB2 LYS 49 HB2 LYS 49 8.194 0.984 9.611 4 HB3 LYS 49 HB3 LYS 49 7.953 2.463 10.536 5 HG2 LYS 49 HG2 LYS 49 8.602 0.101 12.121 6 HG3 LYS 49 HG3 LYS 49 9.873 0.646 11.039 7 HD2 LYS 49 HD2 LYS 49 9.768 2.858 12.019 8 HD3 LYS 49 HD3 LYS 49 8.424 2.355 13.045 9 HE2 LYS 49 HE2 LYS 49 10.484 2.340 14.315 10 HE3 LYS 49 HE3 LYS 49 9.885 0.694 14.112 11 HZ1 LYS 49 HZ1 LYS 49 11.470 0.403 12.287 12 HZ2 LYS 49 HZ2 LYS 49 12.067 1.971 12.546 13 HZ3 LYS 49 HZ3 LYS 49 12.251 0.783 13.745 No H/Q in entry = 13 In of MODEL 30 1 H VAL 50 H VAL 50 4.713 -0.282 9.687 2 HA VAL 50 HA VAL 50 4.027 1.767 7.831 3 HB VAL 50 HB VAL 50 2.382 -0.628 8.655 4 HG11 VAL 50 HG11 VAL 50 1.139 1.161 7.471 5 HG12 VAL 50 HG12 VAL 50 2.287 1.032 6.133 6 HG13 VAL 50 HG13 VAL 50 1.248 -0.335 6.533 7 HG21 VAL 50 HG21 VAL 50 4.591 -1.285 7.872 8 HG22 VAL 50 HG22 VAL 50 3.346 -1.736 6.711 9 HG23 VAL 50 HG23 VAL 50 4.364 -0.330 6.407 No H/Q in entry = 9 In of MODEL 30 1 H GLU 51 H GLU 51 2.581 3.371 7.981 2 HA GLU 51 HA GLU 51 0.668 3.318 10.202 3 HB2 GLU 51 HB2 GLU 51 2.150 5.781 9.263 4 HB3 GLU 51 HB3 GLU 51 0.937 5.710 10.535 5 HG2 GLU 51 HG2 GLU 51 2.419 4.283 11.854 6 HG3 GLU 51 HG3 GLU 51 3.650 4.420 10.595 No H/Q in entry = 6 In of MODEL 30 1 H HIS 52 H HIS 52 -1.292 4.110 9.756 2 HA HIS 52 HA HIS 52 -1.805 4.973 6.996 3 HB2 HIS 52 HB2 HIS 52 -4.177 4.248 7.392 4 HB3 HIS 52 HB3 HIS 52 -3.002 2.944 7.363 5 HD2 HIS 52 HD2 HIS 52 -2.300 2.055 10.088 6 HE1 HIS 52 HE1 HIS 52 -6.117 3.191 11.498 7 HE2 HIS 52 HE2 HIS 52 -4.133 1.659 11.866 No H/Q in entry = 7 In of MODEL 30 1 H SER 53 H SER 53 -2.737 6.858 6.632 2 HA SER 53 HA SER 53 -2.880 8.792 8.697 3 HB2 SER 53 HB2 SER 53 -4.004 8.840 5.868 4 HB3 SER 53 HB3 SER 53 -3.828 10.264 6.897 5 HG SER 53 HG SER 53 -1.492 9.404 6.979 No H/Q in entry = 5 In of MODEL 30 1 H ASP 54 H ASP 54 -4.950 10.188 8.874 2 HA ASP 54 HA ASP 54 -6.888 8.810 10.283 3 HB2 ASP 54 HB2 ASP 54 -6.513 11.204 10.491 4 HB3 ASP 54 HB3 ASP 54 -7.070 11.464 8.841 No H/Q in entry = 4 In of MODEL 30 1 H LEU 55 H LEU 55 -9.135 8.306 9.814 2 HA LEU 55 HA LEU 55 -9.367 6.974 7.289 3 HB2 LEU 55 HB2 LEU 55 -10.293 6.190 9.557 4 HB3 LEU 55 HB3 LEU 55 -11.571 7.363 9.314 5 HG LEU 55 HG LEU 55 -11.936 6.137 7.041 6 HD11 LEU 55 HD11 LEU 55 -9.914 4.699 7.272 7 HD12 LEU 55 HD12 LEU 55 -10.703 3.887 8.622 8 HD13 LEU 55 HD13 LEU 55 -11.411 3.806 7.011 9 HD21 LEU 55 HD21 LEU 55 -13.524 6.240 8.927 10 HD22 LEU 55 HD22 LEU 55 -13.575 4.704 8.061 11 HD23 LEU 55 HD23 LEU 55 -12.753 4.813 9.619 No H/Q in entry = 11 In of MODEL 30 1 H SER 56 H SER 56 -9.897 8.243 5.454 2 HA SER 56 HA SER 56 -11.280 10.700 5.656 3 HB2 SER 56 HB2 SER 56 -10.917 8.960 3.211 4 HB3 SER 56 HB3 SER 56 -11.166 10.707 3.252 5 HG SER 56 HG SER 56 -9.129 10.724 4.528 No H/Q in entry = 5 In of MODEL 30 1 H PHE 57 H PHE 57 -13.397 11.176 4.830 2 HA PHE 57 HA PHE 57 -15.283 8.979 5.174 3 HB2 PHE 57 HB2 PHE 57 -17.025 10.755 5.117 4 HB3 PHE 57 HB3 PHE 57 -15.826 11.020 6.375 5 HD1 PHE 57 HD1 PHE 57 -13.978 12.710 5.922 6 HD2 PHE 57 HD2 PHE 57 -17.472 12.391 3.520 7 HE1 PHE 57 HE1 PHE 57 -13.594 14.984 5.069 8 HE2 PHE 57 HE2 PHE 57 -17.093 14.665 2.660 9 HZ PHE 57 HZ PHE 57 -15.149 15.963 3.432 No H/Q in entry = 9 In of MODEL 30 1 H SER 58 H SER 58 -17.103 8.790 3.603 2 HA SER 58 HA SER 58 -16.230 8.397 0.986 3 HB2 SER 58 HB2 SER 58 -19.053 8.840 1.992 4 HB3 SER 58 HB3 SER 58 -18.625 8.136 0.432 5 HG SER 58 HG SER 58 -18.051 7.088 3.013 No H/Q in entry = 5 In of MODEL 30 1 H LYS 59 H LYS 59 -16.892 9.554 -1.013 2 HA LYS 59 HA LYS 59 -17.175 12.420 -0.543 3 HB2 LYS 59 HB2 LYS 59 -14.844 11.195 -2.023 4 HB3 LYS 59 HB3 LYS 59 -15.252 12.903 -2.068 5 HG2 LYS 59 HG2 LYS 59 -14.937 13.001 0.384 6 HG3 LYS 59 HG3 LYS 59 -14.422 11.314 0.351 7 HD2 LYS 59 HD2 LYS 59 -12.474 12.732 0.375 8 HD3 LYS 59 HD3 LYS 59 -12.596 11.952 -1.202 9 HE2 LYS 59 HE2 LYS 59 -11.998 14.284 -1.468 10 HE3 LYS 59 HE3 LYS 59 -13.614 13.997 -2.114 11 HZ1 LYS 59 HZ1 LYS 59 -13.052 15.107 0.584 12 HZ2 LYS 59 HZ2 LYS 59 -13.450 16.042 -0.773 13 HZ3 LYS 59 HZ3 LYS 59 -14.576 14.944 -0.143 No H/Q in entry = 13 In of MODEL 30 1 H ASP 60 H ASP 60 -16.129 10.595 -3.428 2 HA ASP 60 HA ASP 60 -18.624 11.395 -4.725 3 HB2 ASP 60 HB2 ASP 60 -15.848 12.041 -5.739 4 HB3 ASP 60 HB3 ASP 60 -17.291 12.112 -6.743 No H/Q in entry = 4 In of MODEL 30 1 H TRP 61 H TRP 61 -15.504 9.962 -5.678 2 HA TRP 61 HA TRP 61 -16.951 7.920 -7.143 3 HB2 TRP 61 HB2 TRP 61 -14.974 9.092 -8.135 4 HB3 TRP 61 HB3 TRP 61 -13.959 8.316 -6.924 5 HD1 TRP 61 HD1 TRP 61 -16.444 7.194 -9.696 6 HE1 TRP 61 HE1 TRP 61 -15.530 5.031 -10.761 7 HE3 TRP 61 HE3 TRP 61 -12.280 6.563 -6.792 8 HZ2 TRP 61 HZ2 TRP 61 -13.335 3.299 -10.414 9 HZ3 TRP 61 HZ3 TRP 61 -10.818 4.637 -7.218 10 HH2 TRP 61 HH2 TRP 61 -11.343 3.018 -9.015 No H/Q in entry = 10 In of MODEL 30 1 H SER 62 H SER 62 -14.330 7.953 -4.727 2 HA SER 62 HA SER 62 -15.440 5.563 -3.493 3 HB2 SER 62 HB2 SER 62 -13.937 4.715 -5.308 4 HB3 SER 62 HB3 SER 62 -12.613 5.657 -4.613 5 HG SER 62 HG SER 62 -12.818 4.389 -2.705 No H/Q in entry = 5 In of MODEL 30 1 H PHE 63 H PHE 63 -14.688 5.214 -1.401 2 HA PHE 63 HA PHE 63 -13.521 7.398 0.007 3 HB2 PHE 63 HB2 PHE 63 -14.811 6.199 1.469 4 HB3 PHE 63 HB3 PHE 63 -14.536 4.681 0.629 5 HD1 PHE 63 HD1 PHE 63 -13.057 7.059 3.055 6 HD2 PHE 63 HD2 PHE 63 -12.944 3.138 1.400 7 HE1 PHE 63 HE1 PHE 63 -11.532 6.341 4.855 8 HE2 PHE 63 HE2 PHE 63 -11.422 2.418 3.194 9 HZ PHE 63 HZ PHE 63 -10.716 4.021 4.923 No H/Q in entry = 9 In of MODEL 30 1 H TYR 64 H TYR 64 -11.385 7.599 0.759 2 HA TYR 64 HA TYR 64 -9.490 5.784 -0.576 3 HB2 TYR 64 HB2 TYR 64 -8.893 8.575 0.426 4 HB3 TYR 64 HB3 TYR 64 -7.921 7.600 -0.665 5 HD1 TYR 64 HD1 TYR 64 -8.694 7.258 -3.024 6 HD2 TYR 64 HD2 TYR 64 -10.656 9.937 -0.367 7 HE1 TYR 64 HE1 TYR 64 -9.763 8.370 -4.944 8 HE2 TYR 64 HE2 TYR 64 -11.735 11.052 -2.273 9 HH TYR 64 HH TYR 64 -11.282 11.350 -4.725 No H/Q in entry = 9 In of MODEL 30 1 H LEU 65 H LEU 65 -7.896 4.843 0.572 2 HA LEU 65 HA LEU 65 -7.357 5.720 3.296 3 HB2 LEU 65 HB2 LEU 65 -8.923 4.014 3.739 4 HB3 LEU 65 HB3 LEU 65 -8.276 2.964 2.501 5 HG LEU 65 HG LEU 65 -6.442 3.562 4.750 6 HD11 LEU 65 HD11 LEU 65 -8.704 3.361 5.795 7 HD12 LEU 65 HD12 LEU 65 -8.812 1.742 5.109 8 HD13 LEU 65 HD13 LEU 65 -7.556 2.122 6.288 9 HD21 LEU 65 HD21 LEU 65 -7.302 1.064 3.298 10 HD22 LEU 65 HD22 LEU 65 -5.868 2.027 2.945 11 HD23 LEU 65 HD23 LEU 65 -5.998 1.174 4.482 No H/Q in entry = 11 In of MODEL 30 1 H LEU 66 H LEU 66 -5.265 5.697 3.792 2 HA LEU 66 HA LEU 66 -3.455 4.739 1.674 3 HB2 LEU 66 HB2 LEU 66 -3.948 7.302 2.268 4 HB3 LEU 66 HB3 LEU 66 -2.699 6.994 3.426 5 HG LEU 66 HG LEU 66 -2.383 6.635 0.461 6 HD11 LEU 66 HD11 LEU 66 -2.666 8.981 1.093 7 HD12 LEU 66 HD12 LEU 66 -1.380 8.812 2.288 8 HD13 LEU 66 HD13 LEU 66 -1.012 8.652 0.573 9 HD21 LEU 66 HD21 LEU 66 -0.911 5.166 1.729 10 HD22 LEU 66 HD22 LEU 66 0.004 6.453 0.935 11 HD23 LEU 66 HD23 LEU 66 -0.338 6.545 2.665 No H/Q in entry = 11 In of MODEL 30 1 H TYR 67 H TYR 67 -1.831 3.455 2.273 2 HA TYR 67 HA TYR 67 -1.037 3.362 5.108 3 HB2 TYR 67 HB2 TYR 67 -1.695 1.149 3.245 4 HB3 TYR 67 HB3 TYR 67 -0.317 0.914 4.311 5 HD1 TYR 67 HD1 TYR 67 -3.964 1.084 4.113 6 HD2 TYR 67 HD2 TYR 67 -0.622 0.847 6.743 7 HE1 TYR 67 HE1 TYR 67 -5.427 0.291 5.905 8 HE2 TYR 67 HE2 TYR 67 -2.096 0.066 8.553 9 HH TYR 67 HH TYR 67 -5.154 -1.075 8.101 No H/Q in entry = 9 In of MODEL 30 1 H TYR 68 H TYR 68 0.966 4.063 5.388 2 HA TYR 68 HA TYR 68 2.924 3.588 3.252 3 HB2 TYR 68 HB2 TYR 68 3.743 5.914 3.403 4 HB3 TYR 68 HB3 TYR 68 2.070 5.852 2.844 5 HD1 TYR 68 HD1 TYR 68 0.251 6.639 4.292 6 HD2 TYR 68 HD2 TYR 68 4.317 6.918 5.516 7 HE1 TYR 68 HE1 TYR 68 -0.391 8.241 6.045 8 HE2 TYR 68 HE2 TYR 68 3.687 8.519 7.271 9 HH TYR 68 HH TYR 68 1.957 9.998 7.899 No H/Q in entry = 9 In of MODEL 30 1 H THR 69 H THR 69 5.150 3.995 3.933 2 HA THR 69 HA THR 69 5.635 4.172 6.791 3 HB THR 69 HB THR 69 5.283 1.730 6.355 4 HG1 THR 69 HG1 THR 69 6.629 2.360 8.066 5 HG21 THR 69 HG21 THR 69 7.678 2.116 4.565 6 HG22 THR 69 HG22 THR 69 7.209 0.545 5.214 7 HG23 THR 69 HG23 THR 69 6.109 1.423 4.149 No H/Q in entry = 7 In of MODEL 30 1 H GLU 70 H GLU 70 7.745 4.757 7.299 2 HA GLU 70 HA GLU 70 9.269 5.905 5.101 3 HB2 GLU 70 HB2 GLU 70 8.808 7.199 7.209 4 HB3 GLU 70 HB3 GLU 70 9.797 6.038 8.085 5 HG2 GLU 70 HG2 GLU 70 11.699 6.673 6.580 6 HG3 GLU 70 HG3 GLU 70 10.679 7.965 5.956 No H/Q in entry = 6 In of MODEL 30 1 H PHE 71 H PHE 71 11.161 5.078 4.391 2 HA PHE 71 HA PHE 71 12.348 2.811 5.744 3 HB2 PHE 71 HB2 PHE 71 12.108 1.270 3.868 4 HB3 PHE 71 HB3 PHE 71 10.527 1.767 4.446 5 HD1 PHE 71 HD1 PHE 71 10.576 4.509 2.987 6 HD2 PHE 71 HD2 PHE 71 11.395 0.528 1.756 7 HE1 PHE 71 HE1 PHE 71 9.922 5.085 0.681 8 HE2 PHE 71 HE2 PHE 71 10.735 1.082 -0.544 9 HZ PHE 71 HZ PHE 71 10.010 3.377 -1.098 No H/Q in entry = 9 In of MODEL 30 1 H THR 72 H THR 72 14.386 2.183 4.745 2 HA THR 72 HA THR 72 15.488 4.289 3.023 3 HB THR 72 HB THR 72 16.982 2.524 4.976 4 HG1 THR 72 HG1 THR 72 15.488 4.625 5.461 5 HG21 THR 72 HG21 THR 72 18.324 3.268 3.035 6 HG22 THR 72 HG22 THR 72 17.908 4.942 3.413 7 HG23 THR 72 HG23 THR 72 18.875 3.994 4.544 No H/Q in entry = 7 In of MODEL 30 1 HA PRO 73 HA PRO 73 15.099 0.558 0.297 2 HB2 PRO 73 HB2 PRO 73 15.879 2.185 -1.882 3 HB3 PRO 73 HB3 PRO 73 14.228 1.722 -1.448 4 HG2 PRO 73 HG2 PRO 73 15.723 4.226 -0.851 5 HG3 PRO 73 HG3 PRO 73 13.992 4.011 -1.185 6 HD2 PRO 73 HD2 PRO 73 14.871 4.458 1.300 7 HD3 PRO 73 HD3 PRO 73 13.538 3.318 0.994 No H/Q in entry = 7 In of MODEL 30 1 H THR 74 H THR 74 16.555 -0.761 -0.388 2 HA THR 74 HA THR 74 19.362 0.058 -0.421 3 HB THR 74 HB THR 74 19.950 -2.136 0.450 4 HG1 THR 74 HG1 THR 74 17.838 -3.315 1.225 5 HG21 THR 74 HG21 THR 74 19.310 -0.362 2.067 6 HG22 THR 74 HG22 THR 74 17.677 -1.029 2.083 7 HG23 THR 74 HG23 THR 74 19.025 -1.997 2.671 No H/Q in entry = 7 In of MODEL 30 1 H GLU 75 H GLU 75 20.545 -2.063 -1.562 2 HA GLU 75 HA GLU 75 19.495 -1.942 -4.277 3 HB2 GLU 75 HB2 GLU 75 22.002 -1.811 -3.498 4 HB3 GLU 75 HB3 GLU 75 21.893 -3.555 -3.497 5 HG2 GLU 75 HG2 GLU 75 22.682 -3.143 -5.586 6 HG3 GLU 75 HG3 GLU 75 20.954 -3.192 -5.868 No H/Q in entry = 6 In of MODEL 30 1 H LYS 76 H LYS 76 19.895 -4.176 -1.611 2 HA LYS 76 HA LYS 76 19.452 -6.523 -3.177 3 HB2 LYS 76 HB2 LYS 76 19.929 -6.125 -0.232 4 HB3 LYS 76 HB3 LYS 76 19.861 -7.685 -1.032 5 HG2 LYS 76 HG2 LYS 76 21.978 -7.529 -1.733 6 HG3 LYS 76 HG3 LYS 76 21.774 -5.853 -2.247 7 HD2 LYS 76 HD2 LYS 76 22.023 -5.099 0.047 8 HD3 LYS 76 HD3 LYS 76 22.167 -6.769 0.596 9 HE2 LYS 76 HE2 LYS 76 24.224 -7.030 -0.665 10 HE3 LYS 76 HE3 LYS 76 24.063 -5.397 -1.309 11 HZ1 LYS 76 HZ1 LYS 76 24.333 -6.035 1.579 12 HZ2 LYS 76 HZ2 LYS 76 25.628 -5.578 0.582 13 HZ3 LYS 76 HZ3 LYS 76 24.351 -4.493 0.872 No H/Q in entry = 13 In of MODEL 30 1 H ASP 77 H ASP 77 17.444 -4.501 -1.058 2 HA ASP 77 HA ASP 77 15.834 -6.872 -0.384 3 HB2 ASP 77 HB2 ASP 77 16.579 -4.917 1.286 4 HB3 ASP 77 HB3 ASP 77 15.054 -4.227 0.721 No H/Q in entry = 4 In of MODEL 30 1 H GLU 78 H GLU 78 13.301 -5.999 -0.064 2 HA GLU 78 HA GLU 78 12.378 -4.646 -2.444 3 HB2 GLU 78 HB2 GLU 78 13.227 -6.887 -3.191 4 HB3 GLU 78 HB3 GLU 78 11.905 -7.603 -2.313 5 HG2 GLU 78 HG2 GLU 78 11.120 -7.551 -4.467 6 HG3 GLU 78 HG3 GLU 78 10.423 -6.075 -3.815 No H/Q in entry = 6 In of MODEL 30 1 H TYR 79 H TYR 79 10.895 -3.641 -1.366 2 HA TYR 79 HA TYR 79 9.147 -4.948 0.459 3 HB2 TYR 79 HB2 TYR 79 8.705 -2.107 -0.410 4 HB3 TYR 79 HB3 TYR 79 8.398 -2.857 1.161 5 HD1 TYR 79 HD1 TYR 79 11.329 -2.097 -1.076 6 HD2 TYR 79 HD2 TYR 79 9.800 -2.303 2.893 7 HE1 TYR 79 HE1 TYR 79 13.441 -1.177 -0.223 8 HE2 TYR 79 HE2 TYR 79 11.917 -1.375 3.756 9 HH TYR 79 HH TYR 79 14.261 0.029 1.757 No H/Q in entry = 9 In of MODEL 30 1 H ALA 80 H ALA 80 6.886 -4.871 0.451 2 HA ALA 80 HA ALA 80 5.657 -4.874 -2.234 3 HB1 ALA 80 HB1 ALA 80 6.461 -7.183 -1.523 4 HB2 ALA 80 HB2 ALA 80 4.778 -7.037 -2.040 5 HB3 ALA 80 HB3 ALA 80 5.164 -7.131 -0.328 No H/Q in entry = 5 In of MODEL 30 1 H CYS 81 H CYS 81 3.230 -4.974 -2.176 2 HA CYS 81 HA CYS 81 2.152 -3.839 0.329 3 HB2 CYS 81 HB2 CYS 81 1.786 -3.118 -2.523 4 HB3 CYS 81 HB3 CYS 81 0.312 -3.160 -1.560 No H/Q in entry = 4 In of MODEL 30 1 H ARG 82 H ARG 82 0.545 -4.963 1.266 2 HA ARG 82 HA ARG 82 -0.777 -7.139 -0.252 3 HB2 ARG 82 HB2 ARG 82 0.761 -7.693 1.778 4 HB3 ARG 82 HB3 ARG 82 -0.535 -6.995 2.739 5 HG2 ARG 82 HG2 ARG 82 -2.096 -8.655 1.826 6 HG3 ARG 82 HG3 ARG 82 -0.757 -9.396 0.943 7 HD2 ARG 82 HD2 ARG 82 -0.752 -9.021 3.931 8 HD3 ARG 82 HD3 ARG 82 -1.338 -10.485 3.158 9 HE ARG 82 HE ARG 82 1.391 -9.584 2.621 10 HH11 ARG 82 HH11 ARG 82 -0.823 -11.886 4.056 11 HH12 ARG 82 HH12 ARG 82 0.407 -13.099 4.307 12 HH21 ARG 82 HH21 ARG 82 3.009 -11.189 2.962 13 HH22 ARG 82 HH22 ARG 82 2.567 -12.694 3.696 No H/Q in entry = 13 In of MODEL 30 1 H VAL 83 H VAL 83 -3.017 -7.035 -0.330 2 HA VAL 83 HA VAL 83 -4.311 -5.440 1.783 3 HB VAL 83 HB VAL 83 -5.818 -4.361 0.424 4 HG11 VAL 83 HG11 VAL 83 -3.629 -3.456 0.133 5 HG12 VAL 83 HG12 VAL 83 -3.330 -4.549 -1.220 6 HG13 VAL 83 HG13 VAL 83 -4.567 -3.300 -1.355 7 HG21 VAL 83 HG21 VAL 83 -5.163 -6.269 -1.810 8 HG22 VAL 83 HG22 VAL 83 -6.632 -6.264 -0.834 9 HG23 VAL 83 HG23 VAL 83 -6.284 -4.914 -1.913 No H/Q in entry = 9 In of MODEL 30 1 H ASN 84 H ASN 84 -6.045 -6.226 2.657 2 HA ASN 84 HA ASN 84 -6.981 -8.861 1.752 3 HB2 ASN 84 HB2 ASN 84 -7.119 -7.786 4.583 4 HB3 ASN 84 HB3 ASN 84 -7.394 -9.438 4.055 5 HD21 ASN 84 HD21 ASN 84 -4.908 -6.946 4.290 6 HD22 ASN 84 HD22 ASN 84 -3.583 -8.031 4.528 No H/Q in entry = 6 In of MODEL 30 1 H HIS 85 H HIS 85 -8.986 -8.658 0.838 2 HA HIS 85 HA HIS 85 -10.956 -7.222 2.421 3 HB2 HIS 85 HB2 HIS 85 -10.118 -5.893 0.344 4 HB3 HIS 85 HB3 HIS 85 -10.998 -7.093 -0.580 5 HD2 HIS 85 HD2 HIS 85 -11.815 -4.253 2.034 6 HE1 HIS 85 HE1 HIS 85 -15.322 -5.408 -0.023 7 HE2 HIS 85 HE2 HIS 85 -14.272 -3.658 1.467 No H/Q in entry = 7 In of MODEL 30 1 H VAL 86 H VAL 86 -13.109 -8.019 2.027 2 HA VAL 86 HA VAL 86 -13.188 -10.833 1.899 3 HB VAL 86 HB VAL 86 -14.824 -9.430 3.156 4 HG11 VAL 86 HG11 VAL 86 -15.951 -8.873 0.420 5 HG12 VAL 86 HG12 VAL 86 -16.766 -8.514 1.944 6 HG13 VAL 86 HG13 VAL 86 -15.255 -7.699 1.537 7 HG21 VAL 86 HG21 VAL 86 -15.282 -11.782 2.719 8 HG22 VAL 86 HG22 VAL 86 -16.770 -10.834 2.698 9 HG23 VAL 86 HG23 VAL 86 -16.038 -11.358 1.182 No H/Q in entry = 9 In of MODEL 30 1 H THR 87 H THR 87 -13.448 -8.365 -0.525 2 HA THR 87 HA THR 87 -14.927 -9.743 -2.462 3 HB THR 87 HB THR 87 -13.767 -8.166 -4.045 4 HG1 THR 87 HG1 THR 87 -12.782 -6.718 -1.886 5 HG21 THR 87 HG21 THR 87 -15.880 -7.618 -2.902 6 HG22 THR 87 HG22 THR 87 -14.947 -6.918 -1.578 7 HG23 THR 87 HG23 THR 87 -14.874 -6.196 -3.185 No H/Q in entry = 7 In of MODEL 30 1 H LEU 88 H LEU 88 -11.462 -9.292 -2.047 2 HA LEU 88 HA LEU 88 -10.668 -10.807 -4.275 3 HB2 LEU 88 HB2 LEU 88 -9.138 -10.135 -1.752 4 HB3 LEU 88 HB3 LEU 88 -8.419 -10.846 -3.183 5 HG LEU 88 HG LEU 88 -9.610 -8.086 -2.915 6 HD11 LEU 88 HD11 LEU 88 -7.341 -8.326 -2.029 7 HD12 LEU 88 HD12 LEU 88 -6.806 -9.026 -3.566 8 HD13 LEU 88 HD13 LEU 88 -7.351 -7.343 -3.502 9 HD21 LEU 88 HD21 LEU 88 -8.647 -9.527 -5.380 10 HD22 LEU 88 HD22 LEU 88 -10.272 -8.918 -5.065 11 HD23 LEU 88 HD23 LEU 88 -8.936 -7.789 -5.289 No H/Q in entry = 11 In of MODEL 30 1 H SER 89 H SER 89 -11.426 -11.575 -0.991 2 HA SER 89 HA SER 89 -11.776 -13.450 0.188 3 HB2 SER 89 HB2 SER 89 -12.536 -15.441 -0.897 4 HB3 SER 89 HB3 SER 89 -13.119 -14.082 -1.849 5 HG SER 89 HG SER 89 -10.974 -14.515 -3.041 No H/Q in entry = 5 In of MODEL 30 1 H GLN 90 H GLN 90 -9.085 -13.041 -1.708 2 HA GLN 90 HA GLN 90 -7.407 -14.634 0.022 3 HB2 GLN 90 HB2 GLN 90 -6.982 -14.727 -2.965 4 HB3 GLN 90 HB3 GLN 90 -6.291 -15.773 -1.737 5 HG2 GLN 90 HG2 GLN 90 -8.286 -16.991 -1.493 6 HG3 GLN 90 HG3 GLN 90 -9.227 -15.778 -2.370 7 HE21 GLN 90 HE21 GLN 90 -10.021 -17.368 -3.757 8 HE22 GLN 90 HE22 GLN 90 -9.043 -18.031 -5.023 No H/Q in entry = 8 In of MODEL 30 1 HA PRO 91 HA PRO 91 -5.975 -10.358 -0.087 2 HB2 PRO 91 HB2 PRO 91 -3.473 -11.696 0.862 3 HB3 PRO 91 HB3 PRO 91 -4.283 -10.236 1.467 4 HG2 PRO 91 HG2 PRO 91 -4.550 -12.508 2.782 5 HG3 PRO 91 HG3 PRO 91 -5.963 -11.452 2.527 6 HD2 PRO 91 HD2 PRO 91 -5.218 -14.014 1.131 7 HD3 PRO 91 HD3 PRO 91 -6.835 -13.418 1.615 No H/Q in entry = 7 In of MODEL 30 1 H LYS 92 H LYS 92 -4.417 -9.046 -1.104 2 HA LYS 92 HA LYS 92 -3.292 -10.349 -3.487 3 HB2 LYS 92 HB2 LYS 92 -5.261 -8.865 -3.921 4 HB3 LYS 92 HB3 LYS 92 -4.325 -7.521 -3.284 5 HG2 LYS 92 HG2 LYS 92 -4.213 -7.493 -5.682 6 HG3 LYS 92 HG3 LYS 92 -2.626 -7.926 -5.024 7 HD2 LYS 92 HD2 LYS 92 -2.990 -9.424 -6.797 8 HD3 LYS 92 HD3 LYS 92 -3.321 -10.331 -5.318 9 HE2 LYS 92 HE2 LYS 92 -5.731 -9.910 -5.641 10 HE3 LYS 92 HE3 LYS 92 -5.363 -9.094 -7.160 11 HZ1 LYS 92 HZ1 LYS 92 -4.365 -11.178 -7.958 12 HZ2 LYS 92 HZ2 LYS 92 -4.834 -11.946 -6.519 13 HZ3 LYS 92 HZ3 LYS 92 -6.010 -11.354 -7.586 No H/Q in entry = 13 In of MODEL 30 1 H ILE 93 H ILE 93 -1.175 -10.095 -3.784 2 HA ILE 93 HA ILE 93 0.159 -7.929 -2.298 3 HB ILE 93 HB ILE 93 1.302 -10.592 -3.130 4 HG12 ILE 93 HG12 ILE 93 1.831 -10.665 -0.608 5 HG13 ILE 93 HG13 ILE 93 0.653 -9.370 -0.455 6 HG21 ILE 93 HG21 ILE 93 2.945 -8.844 -3.495 7 HG22 ILE 93 HG22 ILE 93 2.707 -8.264 -1.844 8 HG23 ILE 93 HG23 ILE 93 3.403 -9.859 -2.126 9 HD11 ILE 93 HD11 ILE 93 0.100 -12.091 -1.608 10 HD12 ILE 93 HD12 ILE 93 -0.279 -11.576 0.036 11 HD13 ILE 93 HD13 ILE 93 -1.074 -10.805 -1.334 No H/Q in entry = 11 In of MODEL 30 1 H VAL 94 H VAL 94 1.173 -6.462 -3.423 2 HA VAL 94 HA VAL 94 2.109 -7.104 -6.127 3 HB VAL 94 HB VAL 94 0.872 -4.479 -5.255 4 HG11 VAL 94 HG11 VAL 94 2.785 -4.086 -6.720 5 HG12 VAL 94 HG12 VAL 94 2.130 -5.227 -7.896 6 HG13 VAL 94 HG13 VAL 94 1.271 -3.724 -7.552 7 HG21 VAL 94 HG21 VAL 94 -0.003 -6.507 -7.308 8 HG22 VAL 94 HG22 VAL 94 -0.776 -6.194 -5.754 9 HG23 VAL 94 HG23 VAL 94 -0.779 -4.952 -7.006 No H/Q in entry = 9 In of MODEL 30 1 H LYS 95 H LYS 95 4.170 -6.638 -6.443 2 HA LYS 95 HA LYS 95 5.687 -5.842 -4.101 3 HB2 LYS 95 HB2 LYS 95 7.367 -7.085 -4.935 4 HB3 LYS 95 HB3 LYS 95 6.147 -7.710 -6.030 5 HG2 LYS 95 HG2 LYS 95 6.880 -6.299 -7.787 6 HG3 LYS 95 HG3 LYS 95 7.890 -5.355 -6.686 7 HD2 LYS 95 HD2 LYS 95 8.990 -7.670 -6.206 8 HD3 LYS 95 HD3 LYS 95 8.307 -8.097 -7.766 9 HE2 LYS 95 HE2 LYS 95 10.729 -7.078 -7.528 10 HE3 LYS 95 HE3 LYS 95 9.700 -6.716 -8.917 11 HZ1 LYS 95 HZ1 LYS 95 8.988 -4.689 -7.637 12 HZ2 LYS 95 HZ2 LYS 95 10.237 -5.019 -6.538 13 HZ3 LYS 95 HZ3 LYS 95 10.598 -4.687 -8.153 No H/Q in entry = 13 In of MODEL 30 1 H TRP 96 H TRP 96 7.163 -4.089 -4.024 2 HA TRP 96 HA TRP 96 6.253 -1.797 -5.511 3 HB2 TRP 96 HB2 TRP 96 6.862 -1.576 -3.121 4 HB3 TRP 96 HB3 TRP 96 8.500 -2.118 -3.472 5 HD1 TRP 96 HD1 TRP 96 6.174 0.766 -4.639 6 HE1 TRP 96 HE1 TRP 96 7.609 2.872 -4.889 7 HE3 TRP 96 HE3 TRP 96 10.729 -1.220 -3.439 8 HZ2 TRP 96 HZ2 TRP 96 10.323 3.612 -4.603 9 HZ3 TRP 96 HZ3 TRP 96 12.702 0.249 -3.454 10 HH2 TRP 96 HH2 TRP 96 12.496 2.632 -4.031 No H/Q in entry = 10 In of MODEL 30 1 H ASP 97 H ASP 97 7.169 -1.030 -7.341 2 HA ASP 97 HA ASP 97 9.865 -2.015 -7.976 3 HB2 ASP 97 HB2 ASP 97 9.335 -2.185 -10.267 4 HB3 ASP 97 HB3 ASP 97 7.983 -2.928 -9.421 No H/Q in entry = 4 In of MODEL 30 1 H ARG 98 H ARG 98 11.358 -0.622 -8.471 2 HA ARG 98 HA ARG 98 10.586 2.180 -8.835 3 HB2 ARG 98 HB2 ARG 98 12.787 2.779 -8.115 4 HB3 ARG 98 HB3 ARG 98 12.165 1.614 -6.976 5 HG2 ARG 98 HG2 ARG 98 14.145 0.625 -7.184 6 HG3 ARG 98 HG3 ARG 98 13.514 0.010 -8.712 7 HD2 ARG 98 HD2 ARG 98 15.727 1.004 -9.010 8 HD3 ARG 98 HD3 ARG 98 14.497 1.911 -9.894 9 HE ARG 98 HE ARG 98 14.629 3.293 -7.619 10 HH11 ARG 98 HH11 ARG 98 17.168 2.070 -9.694 11 HH12 ARG 98 HH12 ARG 98 18.281 3.345 -9.296 12 HH21 ARG 98 HH21 ARG 98 16.099 4.986 -7.090 13 HH22 ARG 98 HH22 ARG 98 17.671 5.000 -7.835 No H/Q in entry = 13 In of MODEL 30 1 H ASP 99 H ASP 99 12.339 -0.505 -10.161 2 HA ASP 99 HA ASP 99 12.040 0.648 -12.821 3 HB2 ASP 99 HB2 ASP 99 14.310 1.279 -12.199 4 HB3 ASP 99 HB3 ASP 99 14.665 -0.375 -11.707 No H/Q in entry = 4 In of MODEL 30 1 H MET 100 H MET 100 11.941 -1.926 -10.678 2 HA MET 100 HA MET 100 12.404 -4.069 -12.534 3 HB2 MET 100 HB2 MET 100 11.110 -4.273 -9.809 4 HB3 MET 100 HB3 MET 100 11.952 -5.535 -10.700 5 HG2 MET 100 HG2 MET 100 13.196 -3.071 -9.504 6 HG3 MET 100 HG3 MET 100 13.306 -4.713 -8.870 7 HE1 MET 100 HE1 MET 100 14.639 -6.668 -10.028 8 HE2 MET 100 HE2 MET 100 13.687 -6.449 -11.497 9 HE3 MET 100 HE3 MET 100 15.448 -6.518 -11.588 No H/Q in entry = 9
Contact the webmaster for help, if required. Wednesday, May 29, 2024 1:31:43 AM GMT (wattos1)