NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
471317 | 2xa6 | 16969 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 95 HT3 GLY 95 -8.833 6.421 -4.835 2 H2 GLY 95 HT2 GLY 95 -7.591 5.282 -4.724 3 H3 GLY 95 HT1 GLY 95 -7.282 6.910 -4.360 4 HA3 GLY 95 HA1 GLY 95 -6.394 6.441 -6.517 5 HA2 GLY 95 HA2 GLY 95 -7.925 5.736 -7.010 6 HA ALA 96 HA ALA 96 -8.057 10.082 -8.123 7 HB1 ALA 96 HB1 ALA 96 -7.811 10.498 -10.497 8 HB3 ALA 96 HB2 ALA 96 -7.873 8.766 -10.827 9 HB2 ALA 96 HB3 ALA 96 -6.522 9.443 -9.920 10 H ALA 96 HN ALA 96 -7.712 7.276 -8.802 11 HA MET 97 HA MET 97 -12.252 9.255 -9.527 12 HB2 MET 97 HB2 MET 97 -11.543 7.313 -11.710 13 HG2 MET 97 HG2 MET 97 -12.208 10.243 -11.693 14 HE2 MET 97 HE1 MET 97 -11.764 6.966 -13.842 15 HE1 MET 97 HE2 MET 97 -10.399 7.972 -14.328 16 HE3 MET 97 HE3 MET 97 -11.698 7.640 -15.471 17 H MET 97 HN MET 97 -9.909 7.479 -9.699 18 HB3 MET 97 HB1 MET 97 -13.173 7.936 -11.497 19 HG3 MET 97 HG1 MET 97 -10.686 9.488 -12.160 20 HA GLU 98 HA GLU 98 -13.342 4.837 -8.303 21 HB2 GLU 98 HB2 GLU 98 -12.054 3.341 -6.837 22 HG2 GLU 98 HG2 GLU 98 -9.856 5.360 -7.136 23 H GLU 98 HN GLU 98 -10.923 6.294 -8.619 24 HB3 GLU 98 HB1 GLU 98 -11.210 3.665 -8.344 25 HG3 GLU 98 HG1 GLU 98 -10.634 4.841 -5.643 No H/Q in entry = 25 In of MODEL 1 1 HA PRO 99 HA PRO 99 -15.028 7.220 -5.129 2 HB2 PRO 99 HB2 PRO 99 -17.189 5.739 -4.575 3 HG2 PRO 99 HG2 PRO 99 -16.590 3.668 -5.363 4 HD2 PRO 99 HD2 PRO 99 -14.618 3.419 -6.459 5 HB3 PRO 99 HB1 PRO 99 -16.971 6.514 -6.147 6 HG3 PRO 99 HG1 PRO 99 -17.219 4.341 -6.877 7 HD3 PRO 99 HD1 PRO 99 -15.133 4.472 -7.780 8 HA GLU 100 HA GLU 100 -13.208 5.996 -1.459 9 HB2 GLU 100 HB2 GLU 100 -15.165 8.098 -0.514 10 HG2 GLU 100 HG2 GLU 100 -13.763 8.940 -2.388 11 H GLU 100 HN GLU 100 -14.864 7.552 -3.071 12 HB3 GLU 100 HB1 GLU 100 -13.691 7.586 0.295 13 HG3 GLU 100 HG1 GLU 100 -13.541 9.781 -0.856 14 HA ASN 101 HA ASN 101 -17.265 5.032 0.882 15 HB2 ASN 101 HB2 ASN 101 -18.843 6.316 -0.764 16 HD21 ASN 101 HD21 ASN 101 -18.798 3.436 1.231 17 HD22 ASN 101 HD22 ASN 101 -20.242 3.806 2.111 18 H ASN 101 HN ASN 101 -16.717 6.340 -1.500 19 HB3 ASN 101 HB1 ASN 101 -19.147 4.712 -1.423 20 HA LYS 102 HA LYS 102 -17.208 0.958 -1.228 21 HB2 LYS 102 HB2 LYS 102 -18.033 1.700 -3.531 22 HG2 LYS 102 HG2 LYS 102 -16.481 -0.782 -3.011 23 HD2 LYS 102 HD2 LYS 102 -17.205 -1.655 -5.218 24 HE2 LYS 102 HE2 LYS 102 -15.417 0.748 -5.504 25 HZ3 LYS 102 HZ1 LYS 102 -14.245 -0.738 -7.052 26 HZ2 LYS 102 HZ2 LYS 102 -15.815 -0.376 -7.568 27 HZ1 LYS 102 HZ3 LYS 102 -15.481 -1.884 -6.871 28 H LYS 102 HN LYS 102 -16.804 3.610 -2.343 29 HB3 LYS 102 HB1 LYS 102 -16.350 1.629 -4.040 30 HG3 LYS 102 HG1 LYS 102 -18.205 -0.570 -3.314 31 HD3 LYS 102 HD1 LYS 102 -17.668 -0.012 -5.674 32 HE3 LYS 102 HE1 LYS 102 -14.898 -0.767 -4.770 33 HA TYR 103 HA TYR 103 -12.555 1.266 -2.578 34 HB2 TYR 103 HB2 TYR 103 -12.499 3.555 -3.363 35 HD1 TYR 103 HD1 TYR 103 -10.393 1.715 -3.490 36 HD2 TYR 103 HD2 TYR 103 -10.707 5.159 -1.013 37 HE1 TYR 103 HE1 TYR 103 -7.937 1.890 -3.419 38 HE2 TYR 103 HE2 TYR 103 -8.260 5.338 -0.913 39 HH TYR 103 HH TYR 103 -6.297 4.177 -1.328 40 H TYR 103 HN TYR 103 -14.666 3.072 -2.243 41 HB3 TYR 103 HB1 TYR 103 -12.617 4.159 -1.719 42 HA LEU 104 HA LEU 104 -11.723 2.315 2.033 43 HB2 LEU 104 HB2 LEU 104 -13.430 3.913 2.559 44 HG LEU 104 HG LEU 104 -13.649 1.678 4.577 45 HD12 LEU 104 HD11 LEU 104 -11.824 4.074 4.479 46 HD11 LEU 104 HD12 LEU 104 -11.344 2.403 4.188 47 HD13 LEU 104 HD13 LEU 104 -11.916 2.893 5.785 48 HD23 LEU 104 HD21 LEU 104 -14.250 4.621 4.829 49 HD22 LEU 104 HD22 LEU 104 -14.359 3.419 6.114 50 HD21 LEU 104 HD23 LEU 104 -15.457 3.338 4.735 51 H LEU 104 HN LEU 104 -13.902 2.753 0.322 52 HB3 LEU 104 HB1 LEU 104 -14.668 2.674 2.564 No H/Q in entry = 52 In of MODEL 1 1 HA PRO 105 HA PRO 105 -13.976 -1.747 3.459 2 HB2 PRO 105 HB2 PRO 105 -15.705 -2.851 1.631 3 HG2 PRO 105 HG2 PRO 105 -15.701 -1.083 0.121 4 HD2 PRO 105 HD2 PRO 105 -15.077 1.074 0.733 5 HB3 PRO 105 HB1 PRO 105 -16.223 -1.825 2.978 6 HG3 PRO 105 HG1 PRO 105 -17.071 -0.630 1.155 7 HD3 PRO 105 HD1 PRO 105 -15.819 0.934 2.343 8 HA GLU 106 HA GLU 106 -12.239 -3.679 -0.588 9 HB2 GLU 106 HB2 GLU 106 -11.530 -0.943 -1.632 10 HG2 GLU 106 HG2 GLU 106 -13.303 -3.102 -2.721 11 H GLU 106 HN GLU 106 -13.296 -1.160 0.043 12 HB3 GLU 106 HB1 GLU 106 -10.933 -2.442 -2.321 13 HG3 GLU 106 HG1 GLU 106 -13.776 -1.484 -2.213 14 HA LEU 107 HA LEU 107 -8.106 -1.695 0.854 15 HB2 LEU 107 HB2 LEU 107 -9.547 0.355 2.526 16 HG LEU 107 HG LEU 107 -9.284 0.926 0.106 17 HD12 LEU 107 HD11 LEU 107 -8.359 3.148 0.559 18 HD11 LEU 107 HD12 LEU 107 -7.722 2.569 2.098 19 HD13 LEU 107 HD13 LEU 107 -9.464 2.635 1.834 20 HD23 LEU 107 HD21 LEU 107 -7.019 1.493 -0.669 21 HD22 LEU 107 HD22 LEU 107 -7.192 -0.228 -0.322 22 HD21 LEU 107 HD23 LEU 107 -6.351 0.822 0.821 23 H LEU 107 HN LEU 107 -10.775 -0.765 0.764 24 HB3 LEU 107 HB1 LEU 107 -7.818 0.073 2.592 25 HA MET 108 HA MET 108 -9.176 -2.830 5.370 26 HB2 MET 108 HB2 MET 108 -11.209 -3.177 6.529 27 HG2 MET 108 HG2 MET 108 -12.688 -2.664 3.968 28 HE1 MET 108 HE1 MET 108 -12.816 -0.633 6.480 29 HE3 MET 108 HE2 MET 108 -14.558 -0.391 6.608 30 HE2 MET 108 HE3 MET 108 -13.787 -0.429 5.022 31 H MET 108 HN MET 108 -10.710 -1.700 3.267 32 HB3 MET 108 HB1 MET 108 -11.300 -1.632 5.705 33 HG3 MET 108 HG1 MET 108 -12.619 -4.194 4.841 34 HA ALA 109 HA ALA 109 -10.890 -6.939 3.810 35 HB2 ALA 109 HB1 ALA 109 -11.364 -6.038 0.966 36 HB1 ALA 109 HB2 ALA 109 -12.608 -6.336 2.182 37 HB3 ALA 109 HB3 ALA 109 -11.622 -7.670 1.583 38 H ALA 109 HN ALA 109 -11.074 -4.303 2.769 39 HA GLU 110 HA GLU 110 -7.168 -7.318 0.864 40 HB2 GLU 110 HB2 GLU 110 -6.861 -4.324 0.564 41 HG2 GLU 110 HG2 GLU 110 -7.320 -6.472 -1.495 42 H GLU 110 HN GLU 110 -8.988 -5.187 1.374 43 HB3 GLU 110 HB1 GLU 110 -5.660 -5.486 0.024 44 HG3 GLU 110 HG1 GLU 110 -8.489 -5.256 -0.978 45 HA LYS 111 HA LYS 111 -4.661 -4.885 4.194 46 HB2 LYS 111 HB2 LYS 111 -5.721 -2.934 4.835 47 HG2 LYS 111 HG2 LYS 111 -6.173 -4.763 7.180 48 HD2 LYS 111 HD2 LYS 111 -5.879 -1.772 7.225 49 HE2 LYS 111 HE2 LYS 111 -5.318 -2.766 9.314 50 HZ2 LYS 111 HZ1 LYS 111 -6.173 -4.934 9.214 51 HZ1 LYS 111 HZ2 LYS 111 -7.756 -4.412 8.909 52 HZ3 LYS 111 HZ3 LYS 111 -7.070 -4.187 10.446 53 H LYS 111 HN LYS 111 -7.193 -4.583 3.069 54 HB3 LYS 111 HB1 LYS 111 -7.238 -3.748 5.185 55 HG3 LYS 111 HG1 LYS 111 -4.728 -3.801 6.850 56 HD3 LYS 111 HD1 LYS 111 -7.449 -2.574 7.191 57 HE3 LYS 111 HE1 LYS 111 -6.938 -2.084 9.466 58 HA ASP 112 HA ASP 112 -6.420 -7.625 7.486 59 HB2 ASP 112 HB2 ASP 112 -9.232 -7.527 6.475 60 H ASP 112 HN ASP 112 -7.732 -6.306 5.297 61 HB3 ASP 112 HB1 ASP 112 -8.772 -8.739 7.665 62 HA SER 113 HA SER 113 -6.538 -11.258 4.733 63 HB2 SER 113 HB2 SER 113 -6.921 -9.771 2.128 64 HG SER 113 HG SER 113 -8.808 -9.575 3.179 65 H SER 113 HN SER 113 -6.710 -8.369 4.237 66 HB3 SER 113 HB1 SER 113 -6.953 -11.519 2.332 67 HA LEU 114 HA LEU 114 -2.665 -9.815 2.372 68 HB2 LEU 114 HB2 LEU 114 -3.313 -7.318 2.580 69 HG LEU 114 HG LEU 114 -0.468 -8.246 2.339 70 HD11 LEU 114 HD11 LEU 114 -2.465 -7.083 0.402 71 HD13 LEU 114 HD12 LEU 114 -1.903 -8.754 0.468 72 HD12 LEU 114 HD13 LEU 114 -0.789 -7.462 0.009 73 HD22 LEU 114 HD21 LEU 114 0.220 -6.024 1.753 74 HD21 LEU 114 HD22 LEU 114 -0.484 -5.996 3.369 75 HD23 LEU 114 HD23 LEU 114 -1.415 -5.415 1.992 76 H LEU 114 HN LEU 114 -4.649 -8.541 3.984 77 HB3 LEU 114 HB1 LEU 114 -2.246 -7.310 3.969 78 HA ASP 115 HA ASP 115 -0.411 -11.636 5.580 79 HB2 ASP 115 HB2 ASP 115 0.445 -12.699 3.454 80 H ASP 115 HN ASP 115 -0.653 -10.541 2.952 81 HB3 ASP 115 HB1 ASP 115 1.728 -11.494 3.446 No H/Q in entry = 81 In of MODEL 1 1 HA PRO 116 HA PRO 116 1.429 -8.170 7.598 2 HB2 PRO 116 HB2 PRO 116 2.578 -9.506 9.685 3 HG2 PRO 116 HG2 PRO 116 2.304 -11.673 8.876 4 HD2 PRO 116 HD2 PRO 116 0.757 -12.185 7.220 5 HB3 PRO 116 HB1 PRO 116 0.850 -9.148 9.583 6 HG3 PRO 116 HG1 PRO 116 0.800 -11.471 9.797 7 HD3 PRO 116 HD1 PRO 116 -0.462 -11.077 7.883 8 HA SER 117 HA SER 117 5.859 -9.976 7.123 9 HB2 SER 117 HB2 SER 117 5.383 -12.230 6.204 10 HG SER 117 HG SER 117 7.353 -10.572 5.109 11 H SER 117 HN SER 117 3.280 -10.833 6.376 12 HB3 SER 117 HB1 SER 117 5.072 -11.505 4.628 13 HA PHE 118 HA PHE 118 5.669 -7.144 3.495 14 HB2 PHE 118 HB2 PHE 118 2.677 -7.217 3.028 15 HD1 PHE 118 HD1 PHE 118 5.070 -7.546 0.362 16 HD2 PHE 118 HD2 PHE 118 2.646 -9.699 3.113 17 HE1 PHE 118 HE1 PHE 118 5.294 -9.561 -1.026 18 HE2 PHE 118 HE2 PHE 118 2.873 -11.720 1.741 19 HZ PHE 118 HZ PHE 118 4.194 -11.656 -0.340 20 H PHE 118 HN PHE 118 3.624 -8.765 4.814 21 HB3 PHE 118 HB1 PHE 118 3.869 -6.397 2.026 22 HA THR 119 HA THR 119 4.502 -4.716 7.100 23 HB THR 119 HB THR 119 7.296 -3.880 6.321 24 HG1 THR 119 HG1 THR 119 6.241 -5.895 7.884 25 HG22 THR 119 HG21 THR 119 5.687 -3.177 8.778 26 HG21 THR 119 HG22 THR 119 6.089 -2.073 7.463 27 HG23 THR 119 HG23 THR 119 7.370 -2.738 8.478 28 H THR 119 HN THR 119 6.254 -5.928 5.304 29 HA HIS 120 HA HIS 120 5.029 -0.731 4.711 30 HB2 HIS 120 HB2 HIS 120 6.330 -1.905 2.262 31 HD1 HIS 120 HD1 HIS 120 6.935 0.094 5.423 32 HD2 HIS 120 HD2 HIS 120 9.055 -1.792 2.390 33 HE1 HIS 120 HE1 HIS 120 9.334 0.130 6.152 34 HE2 HIS 120 HE2 HIS 120 10.624 -0.858 4.233 35 H HIS 120 HN HIS 120 6.108 -3.326 4.237 36 HB3 HIS 120 HB1 HIS 120 5.946 -0.200 2.478 37 HA ALA 121 HA ALA 121 2.068 -2.167 1.172 38 HB2 ALA 121 HB1 ALA 121 3.113 -4.383 0.652 39 HB1 ALA 121 HB2 ALA 121 1.351 -4.356 0.592 40 HB3 ALA 121 HB3 ALA 121 2.175 -5.061 1.983 41 H ALA 121 HN ALA 121 4.199 -3.388 2.520 42 HA MET 122 HA MET 122 -0.594 -3.704 4.774 43 HB2 MET 122 HB2 MET 122 1.857 -4.366 6.353 44 HG2 MET 122 HG2 MET 122 0.437 -5.979 4.867 45 HE3 MET 122 HE1 MET 122 -1.978 -4.094 6.041 46 HE2 MET 122 HE2 MET 122 -3.302 -5.256 5.968 47 HE1 MET 122 HE3 MET 122 -2.142 -5.161 4.644 48 H MET 122 HN MET 122 2.188 -3.871 4.216 49 HB3 MET 122 HB1 MET 122 0.327 -4.132 7.189 50 HG3 MET 122 HG1 MET 122 1.130 -6.501 6.399 51 HA GLN 123 HA GLN 123 0.786 0.035 7.287 52 HB2 GLN 123 HB2 GLN 123 3.139 0.054 7.552 53 HG2 GLN 123 HG2 GLN 123 2.611 2.498 5.880 54 HE21 GLN 123 HE21 GLN 123 4.687 2.638 5.045 55 HE22 GLN 123 HE22 GLN 123 6.070 2.970 6.034 56 H GLN 123 HN GLN 123 2.192 -1.695 5.542 57 HB3 GLN 123 HB1 GLN 123 3.420 0.183 5.825 58 HG3 GLN 123 HG1 GLN 123 2.378 2.365 7.616 59 HA LEU 124 HA LEU 124 0.399 2.791 3.591 60 HB2 LEU 124 HB2 LEU 124 0.794 0.652 1.492 61 HG LEU 124 HG LEU 124 2.851 1.661 2.664 62 HD11 LEU 124 HD11 LEU 124 2.556 1.916 -0.334 63 HD13 LEU 124 HD12 LEU 124 2.973 0.446 0.548 64 HD12 LEU 124 HD13 LEU 124 4.079 1.819 0.549 65 HD22 LEU 124 HD21 LEU 124 3.549 3.851 1.838 66 HD21 LEU 124 HD22 LEU 124 2.044 3.960 2.751 67 HD23 LEU 124 HD23 LEU 124 2.013 4.027 0.990 68 H LEU 124 HN LEU 124 1.488 0.223 3.827 69 HB3 LEU 124 HB1 LEU 124 0.347 2.309 1.123 70 HA LEU 125 HA LEU 125 -3.625 0.403 2.467 71 HB2 LEU 125 HB2 LEU 125 -2.559 -1.965 3.976 72 HG LEU 125 HG LEU 125 -2.395 -1.938 1.465 73 HD13 LEU 125 HD11 LEU 125 -3.103 -4.237 1.267 74 HD12 LEU 125 HD12 LEU 125 -4.140 -4.074 2.678 75 HD11 LEU 125 HD13 LEU 125 -2.388 -3.981 2.857 76 HD23 LEU 125 HD21 LEU 125 -5.396 -2.195 1.684 77 HD22 LEU 125 HD22 LEU 125 -4.445 -2.384 0.209 78 HD21 LEU 125 HD23 LEU 125 -4.530 -0.812 1.010 79 H LEU 125 HN LEU 125 -1.049 -0.394 3.407 80 HB3 LEU 125 HB1 LEU 125 -4.289 -1.746 3.808 81 HA THR 126 HA THR 126 -4.411 0.545 7.130 82 HB THR 126 HB THR 126 -1.516 1.120 7.800 83 HG1 THR 126 HG1 THR 126 -1.779 -1.055 7.504 84 HG21 THR 126 HG21 THR 126 -3.907 0.950 9.638 85 HG23 THR 126 HG22 THR 126 -2.967 2.399 9.276 86 HG22 THR 126 HG23 THR 126 -2.225 1.062 10.157 87 H THR 126 HN THR 126 -2.079 0.175 5.594 88 HA ALA 127 HA ALA 127 -2.810 5.066 7.227 89 HB3 ALA 127 HB1 ALA 127 -1.242 4.824 4.671 90 HB1 ALA 127 HB2 ALA 127 -0.576 4.793 6.305 91 HB2 ALA 127 HB3 ALA 127 -1.356 6.254 5.697 92 H ALA 127 HN ALA 127 -1.902 2.749 5.968 93 HA GLU 128 HA GLU 128 -4.896 6.042 3.023 94 HB2 GLU 128 HB2 GLU 128 -4.033 4.151 1.606 95 HG2 GLU 128 HG2 GLU 128 -6.086 3.998 0.121 96 H GLU 128 HN GLU 128 -3.441 3.842 3.931 97 HB3 GLU 128 HB1 GLU 128 -5.378 3.182 2.185 98 HG3 GLU 128 HG1 GLU 128 -6.880 5.029 1.306 99 HA ILE 129 HA ILE 129 -8.689 3.644 4.640 100 HB ILE 129 HB ILE 129 -7.054 2.159 6.695 101 HD13 ILE 129 HD11 ILE 129 -6.856 -0.324 6.140 102 HD12 ILE 129 HD12 ILE 129 -7.785 -0.964 4.782 103 HD11 ILE 129 HD13 ILE 129 -8.613 -0.437 6.249 104 H ILE 129 HN ILE 129 -5.931 3.152 4.737 105 HA GLU 130 HA GLU 130 -7.802 5.908 8.835 106 HB2 GLU 130 HB2 GLU 130 -5.048 6.688 7.878 107 HG2 GLU 130 HG2 GLU 130 -5.900 4.926 10.159 108 H GLU 130 HN GLU 130 -6.198 4.667 6.914 109 HB3 GLU 130 HB1 GLU 130 -5.802 7.262 9.355 110 HG3 GLU 130 HG1 GLU 130 -5.020 4.433 8.712 111 HA LYS 131 HA LYS 131 -7.234 9.795 6.118 112 HB2 LYS 131 HB2 LYS 131 -6.894 8.319 3.502 113 HG2 LYS 131 HG2 LYS 131 -4.809 9.708 5.175 114 HD2 LYS 131 HD2 LYS 131 -4.758 8.537 2.408 115 HE2 LYS 131 HE2 LYS 131 -2.886 7.577 3.616 116 HZ3 LYS 131 HZ1 LYS 131 -2.074 10.364 4.244 117 HZ2 LYS 131 HZ2 LYS 131 -1.213 8.953 4.615 118 HZ1 LYS 131 HZ3 LYS 131 -2.697 9.263 5.369 119 H LYS 131 HN LYS 131 -6.538 7.080 5.762 120 HB3 LYS 131 HB1 LYS 131 -6.778 10.056 3.755 121 HG3 LYS 131 HG1 LYS 131 -4.920 7.972 4.883 122 HD3 LYS 131 HD1 LYS 131 -4.282 10.157 2.920 123 HE3 LYS 131 HE1 LYS 131 -2.327 8.784 2.461 124 HA ILE 132 HA ILE 132 -11.168 8.671 3.741 125 HB ILE 132 HB ILE 132 -11.199 5.710 4.277 126 HD11 ILE 132 HD11 ILE 132 -11.590 5.222 1.178 127 HD13 ILE 132 HD12 ILE 132 -10.580 4.223 2.223 128 HD12 ILE 132 HD13 ILE 132 -9.878 5.014 0.811 129 H ILE 132 HN ILE 132 -8.910 7.111 4.468 130 HA GLN 133 HA GLN 133 -12.905 6.738 7.820 131 HB2 GLN 133 HB2 GLN 133 -10.106 6.460 8.899 132 HG2 GLN 133 HG2 GLN 133 -11.048 4.553 7.622 133 HE21 GLN 133 HE21 GLN 133 -12.491 2.848 7.500 134 HE22 GLN 133 HE22 GLN 133 -14.048 2.891 8.250 135 H GLN 133 HN GLN 133 -10.423 6.628 6.530 136 HB3 GLN 133 HB1 GLN 133 -11.521 6.407 9.936 137 HG3 GLN 133 HG1 GLN 133 -10.659 4.183 9.301 138 HA LYS 134 HA LYS 134 -11.445 10.622 9.950 139 HB2 LYS 134 HB2 LYS 134 -9.523 12.094 9.737 140 HG2 LYS 134 HG2 LYS 134 -8.498 10.291 7.556 141 HD2 LYS 134 HD2 LYS 134 -6.819 11.350 9.068 142 HE2 LYS 134 HE2 LYS 134 -8.130 13.417 9.510 143 HZ3 LYS 134 HZ1 LYS 134 -7.238 14.205 6.788 144 HZ2 LYS 134 HZ2 LYS 134 -8.039 15.194 7.910 145 HZ1 LYS 134 HZ3 LYS 134 -8.844 13.866 7.225 146 H LYS 134 HN LYS 134 -10.142 8.951 8.001 147 HB3 LYS 134 HB1 LYS 134 -8.996 10.428 9.900 148 HG3 LYS 134 HG1 LYS 134 -9.185 11.892 7.279 149 HD3 LYS 134 HD1 LYS 134 -6.691 11.845 7.379 150 HE3 LYS 134 HE1 LYS 134 -6.466 13.715 9.009 151 HA3 GLY 135 HA2 GLY 135 -12.029 11.896 4.838 152 H GLY 135 HN GLY 135 -10.956 10.679 6.469 153 HA2 GLY 135 HA1 GLY 135 -13.121 12.499 6.079 No H/Q in entry = 153 In of MODEL 1 1 H1 GLY 95 HT3 GLY 95 8.915 6.220 5.037 2 H2 GLY 95 HT2 GLY 95 7.660 5.093 4.935 3 H3 GLY 95 HT1 GLY 95 7.362 6.726 4.585 4 HA2 GLY 95 HA2 GLY 95 8.005 5.525 7.219 5 HA3 GLY 95 HA1 GLY 95 6.490 6.279 6.739 6 HA ALA 96 HA ALA 96 8.229 9.858 8.357 7 HB3 ALA 96 HB1 ALA 96 7.988 10.265 10.734 8 HB1 ALA 96 HB2 ALA 96 8.015 8.530 11.052 9 HB2 ALA 96 HB3 ALA 96 6.678 9.240 10.147 10 H ALA 96 HN ALA 96 7.812 7.065 9.015 11 HA MET 97 HA MET 97 12.416 8.945 9.754 12 HB2 MET 97 HB2 MET 97 11.673 7.005 11.925 13 HG2 MET 97 HG2 MET 97 12.392 9.922 11.931 14 HE2 MET 97 HE1 MET 97 11.884 6.636 14.053 15 HE1 MET 97 HE2 MET 97 10.539 7.664 14.548 16 HE3 MET 97 HE3 MET 97 11.833 7.296 15.690 17 H MET 97 HN MET 97 10.033 7.225 9.943 18 HB3 MET 97 HB1 MET 97 13.313 7.600 11.715 19 HG3 MET 97 HG1 MET 97 10.857 9.191 12.390 20 HA GLU 98 HA GLU 98 13.413 4.515 8.499 21 HB2 GLU 98 HB2 GLU 98 12.093 3.055 7.016 22 HG2 GLU 98 HG2 GLU 98 9.938 5.118 7.341 23 H GLU 98 HN GLU 98 11.025 6.023 8.812 24 HB3 GLU 98 HB1 GLU 98 11.264 3.380 8.528 25 HG3 GLU 98 HG1 GLU 98 10.689 4.581 5.841 No H/Q in entry = 25 In of MODEL 1 1 HA PRO 99 HA PRO 99 15.145 6.896 5.345 2 HB2 PRO 99 HB2 PRO 99 17.276 5.379 4.772 3 HG2 PRO 99 HG2 PRO 99 16.633 3.312 5.538 4 HD2 PRO 99 HD2 PRO 99 14.658 3.090 6.642 5 HB3 PRO 99 HB1 PRO 99 17.075 6.141 6.355 6 HG3 PRO 99 HG1 PRO 99 17.280 3.952 7.058 7 HD3 PRO 99 HD1 PRO 99 15.198 4.123 7.970 8 HA GLU 100 HA GLU 100 13.297 5.736 1.662 9 HB2 GLU 100 HB2 GLU 100 15.291 7.805 0.731 10 HG2 GLU 100 HG2 GLU 100 13.899 8.651 2.613 11 H GLU 100 HN GLU 100 14.984 7.251 3.283 12 HB3 GLU 100 HB1 GLU 100 13.810 7.329 -0.082 13 HG3 GLU 100 HG1 GLU 100 13.700 9.514 1.090 14 HA ASN 101 HA ASN 101 17.337 4.716 -0.692 15 HB2 ASN 101 HB2 ASN 101 18.929 5.956 0.969 16 HD21 ASN 101 HD21 ASN 101 18.838 3.090 -1.045 17 HD22 ASN 101 HD22 ASN 101 20.283 3.449 -1.926 18 H ASN 101 HN ASN 101 16.808 6.019 1.692 19 HB3 ASN 101 HB1 ASN 101 19.203 4.342 1.615 20 HA LYS 102 HA LYS 102 17.204 0.617 1.382 21 HB2 LYS 102 HB2 LYS 102 18.038 1.330 3.690 22 HG2 LYS 102 HG2 LYS 102 16.444 -1.118 3.155 23 HD2 LYS 102 HD2 LYS 102 17.159 -2.020 5.350 24 HE2 LYS 102 HE2 LYS 102 15.406 0.408 5.651 25 HZ3 LYS 102 HZ1 LYS 102 14.216 -1.043 7.200 26 HZ2 LYS 102 HZ2 LYS 102 15.803 -0.726 7.709 27 HZ1 LYS 102 HZ3 LYS 102 15.415 -2.224 7.015 28 H LYS 102 HN LYS 102 16.863 3.269 2.518 29 HB3 LYS 102 HB1 LYS 102 16.354 1.287 4.196 30 HG3 LYS 102 HG1 LYS 102 18.172 -0.939 3.454 31 HD3 LYS 102 HD1 LYS 102 17.647 -0.390 5.819 32 HE3 LYS 102 HE1 LYS 102 14.863 -1.098 4.915 33 HA TYR 103 HA TYR 103 12.560 1.007 2.745 34 HB2 TYR 103 HB2 TYR 103 12.545 3.299 3.542 35 HD1 TYR 103 HD1 TYR 103 10.403 1.485 3.657 36 HD2 TYR 103 HD2 TYR 103 10.782 4.948 1.217 37 HE1 TYR 103 HE1 TYR 103 7.953 1.708 3.590 38 HE2 TYR 103 HE2 TYR 103 8.337 5.172 1.116 39 HH TYR 103 HH TYR 103 6.346 4.064 1.554 40 H TYR 103 HN TYR 103 14.705 2.774 2.420 41 HB3 TYR 103 HB1 TYR 103 12.669 3.907 1.901 42 HA LEU 104 HA LEU 104 11.739 2.103 -1.861 43 HB2 LEU 104 HB2 LEU 104 13.475 3.683 -2.369 44 HG LEU 104 HG LEU 104 13.648 1.460 -4.406 45 HD12 LEU 104 HD11 LEU 104 11.869 3.889 -4.297 46 HD11 LEU 104 HD12 LEU 104 11.361 2.227 -4.013 47 HD13 LEU 104 HD13 LEU 104 11.939 2.712 -5.607 48 HD23 LEU 104 HD21 LEU 104 14.310 4.394 -4.641 49 HD22 LEU 104 HD22 LEU 104 14.395 3.197 -5.933 50 HD21 LEU 104 HD23 LEU 104 15.488 3.085 -4.553 51 H LEU 104 HN LEU 104 13.924 2.491 -0.144 52 HB3 LEU 104 HB1 LEU 104 14.687 2.417 -2.386 No H/Q in entry = 52 In of MODEL 1 1 HA PRO 105 HA PRO 105 13.910 -1.979 -3.323 2 HB2 PRO 105 HB2 PRO 105 15.616 -3.132 -1.503 3 HG2 PRO 105 HG2 PRO 105 15.651 -1.379 0.016 4 HD2 PRO 105 HD2 PRO 105 15.065 0.795 -0.572 5 HB3 PRO 105 HB1 PRO 105 16.155 -2.113 -2.845 6 HG3 PRO 105 HG1 PRO 105 17.029 -0.940 -1.016 7 HD3 PRO 105 HD1 PRO 105 15.801 0.658 -2.184 8 HA GLU 106 HA GLU 106 12.146 -3.913 0.713 9 HB2 GLU 106 HB2 GLU 106 11.482 -1.174 1.780 10 HG2 GLU 106 HG2 GLU 106 13.220 -3.372 2.840 11 H GLU 106 HN GLU 106 13.245 -1.405 0.103 12 HB3 GLU 106 HB1 GLU 106 10.862 -2.669 2.457 13 HG3 GLU 106 HG1 GLU 106 13.721 -1.757 2.351 14 HA LEU 107 HA LEU 107 8.045 -1.844 -0.710 15 HB2 LEU 107 HB2 LEU 107 9.519 0.194 -2.369 16 HG LEU 107 HG LEU 107 9.276 0.753 0.059 17 HD12 LEU 107 HD11 LEU 107 8.386 2.996 -0.371 18 HD11 LEU 107 HD12 LEU 107 7.738 2.441 -1.914 19 HD13 LEU 107 HD13 LEU 107 9.482 2.478 -1.654 20 HD23 LEU 107 HD21 LEU 107 7.028 1.359 0.839 21 HD22 LEU 107 HD22 LEU 107 7.163 -0.362 0.480 22 HD21 LEU 107 HD23 LEU 107 6.344 0.713 -0.655 23 H LEU 107 HN LEU 107 10.728 -0.960 -0.613 24 HB3 LEU 107 HB1 LEU 107 7.785 -0.055 -2.428 25 HA MET 108 HA MET 108 9.086 -2.955 -5.234 26 HB2 MET 108 HB2 MET 108 11.113 -3.333 -6.391 27 HG2 MET 108 HG2 MET 108 12.593 -2.873 -3.819 28 HE1 MET 108 HE1 MET 108 12.758 -0.827 -6.327 29 HE3 MET 108 HE2 MET 108 14.504 -0.616 -6.456 30 HE2 MET 108 HE3 MET 108 13.736 -0.640 -4.868 31 H MET 108 HN MET 108 10.640 -1.870 -3.124 32 HB3 MET 108 HB1 MET 108 11.235 -1.795 -5.557 33 HG3 MET 108 HG1 MET 108 12.495 -4.391 -4.715 34 HA ALA 109 HA ALA 109 10.725 -7.108 -3.715 35 HB3 ALA 109 HB1 ALA 109 11.219 -6.246 -0.860 36 HB1 ALA 109 HB2 ALA 109 12.453 -6.552 -2.084 37 HB2 ALA 109 HB3 ALA 109 11.450 -7.878 -1.495 38 H ALA 109 HN ALA 109 10.959 -4.488 -2.645 39 HA GLU 110 HA GLU 110 7.002 -7.444 -0.763 40 HB2 GLU 110 HB2 GLU 110 6.748 -4.448 -0.436 41 HG2 GLU 110 HG2 GLU 110 7.174 -6.620 1.603 42 H GLU 110 HN GLU 110 8.860 -5.341 -1.259 43 HB3 GLU 110 HB1 GLU 110 5.526 -5.593 0.095 44 HG3 GLU 110 HG1 GLU 110 8.362 -5.420 1.093 45 HA LYS 111 HA LYS 111 4.540 -4.937 -4.068 46 HB2 LYS 111 HB2 LYS 111 5.635 -3.000 -4.691 47 HG2 LYS 111 HG2 LYS 111 6.044 -4.821 -7.055 48 HD2 LYS 111 HD2 LYS 111 5.810 -1.827 -7.076 49 HE2 LYS 111 HE2 LYS 111 5.228 -2.785 -9.170 50 HZ2 LYS 111 HZ1 LYS 111 6.037 -4.968 -9.094 51 HZ1 LYS 111 HZ2 LYS 111 7.633 -4.478 -8.803 52 HZ3 LYS 111 HZ3 LYS 111 6.932 -4.222 -10.327 53 H LYS 111 HN LYS 111 7.083 -4.698 -2.947 54 HB3 LYS 111 HB1 LYS 111 7.133 -3.840 -5.057 55 HG3 LYS 111 HG1 LYS 111 4.619 -3.832 -6.711 56 HD3 LYS 111 HD1 LYS 111 7.363 -2.657 -7.050 57 HE3 LYS 111 HE1 LYS 111 6.861 -2.132 -9.317 58 HA ASP 112 HA ASP 112 6.240 -7.685 -7.384 59 HB2 ASP 112 HB2 ASP 112 9.055 -7.640 -6.373 60 H ASP 112 HN ASP 112 7.580 -6.409 -5.184 61 HB3 ASP 112 HB1 ASP 112 8.575 -8.837 -7.574 62 HA SER 113 HA SER 113 6.296 -11.343 -4.663 63 HB2 SER 113 HB2 SER 113 6.709 -9.886 -2.046 64 HG SER 113 HG SER 113 8.593 -9.723 -3.101 65 H SER 113 HN SER 113 6.522 -8.463 -4.141 66 HB3 SER 113 HB1 SER 113 6.702 -11.634 -2.264 67 HA LEU 114 HA LEU 114 2.453 -9.842 -2.283 68 HB2 LEU 114 HB2 LEU 114 3.143 -7.356 -2.477 69 HG LEU 114 HG LEU 114 0.279 -8.236 -2.233 70 HD11 LEU 114 HD11 LEU 114 2.306 -7.118 -0.296 71 HD13 LEU 114 HD12 LEU 114 1.720 -8.780 -0.371 72 HD12 LEU 114 HD13 LEU 114 0.626 -7.478 0.099 73 HD22 LEU 114 HD21 LEU 114 -0.362 -6.005 -1.630 74 HD21 LEU 114 HD22 LEU 114 0.339 -5.980 -3.247 75 HD23 LEU 114 HD23 LEU 114 1.286 -5.426 -1.869 76 H LEU 114 HN LEU 114 4.460 -8.601 -3.891 77 HB3 LEU 114 HB1 LEU 114 2.074 -7.319 -3.864 78 HA ASP 115 HA ASP 115 0.158 -11.596 -5.503 79 HB2 ASP 115 HB2 ASP 115 -0.713 -12.668 -3.393 80 H ASP 115 HN ASP 115 0.418 -10.527 -2.867 81 HB3 ASP 115 HB1 ASP 115 -1.973 -11.438 -3.363 No H/Q in entry = 81 In of MODEL 1 1 HA PRO 116 HA PRO 116 -1.619 -8.078 -7.489 2 HB2 PRO 116 HB2 PRO 116 -2.798 -9.375 -9.586 3 HG2 PRO 116 HG2 PRO 116 -2.562 -11.555 -8.794 4 HD2 PRO 116 HD2 PRO 116 -1.025 -12.110 -7.146 5 HB3 PRO 116 HB1 PRO 116 -1.064 -9.051 -9.483 6 HG3 PRO 116 HG1 PRO 116 -1.055 -11.371 -9.718 7 HD3 PRO 116 HD1 PRO 116 0.215 -11.020 -7.803 8 HA SER 117 HA SER 117 -6.084 -9.803 -7.024 9 HB2 SER 117 HB2 SER 117 -5.649 -12.070 -6.118 10 HG SER 117 HG SER 117 -7.594 -10.384 -5.034 11 H SER 117 HN SER 117 -3.520 -10.713 -6.289 12 HB3 SER 117 HB1 SER 117 -5.319 -11.360 -4.539 13 HA PHE 118 HA PHE 118 -5.833 -7.011 -3.376 14 HB2 PHE 118 HB2 PHE 118 -2.840 -7.143 -2.914 15 HD1 PHE 118 HD1 PHE 118 -5.235 -7.445 -0.248 16 HD2 PHE 118 HD2 PHE 118 -2.855 -9.622 -3.015 17 HE1 PHE 118 HE1 PHE 118 -5.501 -9.468 1.118 18 HE2 PHE 118 HE2 PHE 118 -3.120 -11.649 -1.665 19 HZ PHE 118 HZ PHE 118 -4.447 -11.579 0.414 20 H PHE 118 HN PHE 118 -3.819 -8.654 -4.717 21 HB3 PHE 118 HB1 PHE 118 -4.012 -6.306 -1.904 22 HA THR 119 HA THR 119 -4.627 -4.573 -6.965 23 HB THR 119 HB THR 119 -7.396 -3.675 -6.160 24 HG1 THR 119 HG1 THR 119 -6.391 -5.695 -7.768 25 HG22 THR 119 HG21 THR 119 -5.781 -3.005 -8.623 26 HG21 THR 119 HG22 THR 119 -6.157 -1.896 -7.303 27 HG23 THR 119 HG23 THR 119 -7.452 -2.531 -8.321 28 H THR 119 HN THR 119 -6.402 -5.760 -5.172 29 HA HIS 120 HA HIS 120 -5.068 -0.595 -4.540 30 HB2 HIS 120 HB2 HIS 120 -6.392 -1.762 -2.097 31 HD1 HIS 120 HD1 HIS 120 -6.962 0.272 -5.249 32 HD2 HIS 120 HD2 HIS 120 -9.113 -1.605 -2.229 33 HE1 HIS 120 HE1 HIS 120 -9.359 0.358 -5.976 34 HE2 HIS 120 HE2 HIS 120 -10.663 -0.623 -4.060 35 H HIS 120 HN HIS 120 -6.200 -3.173 -4.088 36 HB3 HIS 120 HB1 HIS 120 -5.978 -0.063 -2.302 37 HA ALA 121 HA ALA 121 -2.138 -2.119 -1.015 38 HB1 ALA 121 HB1 ALA 121 -3.220 -4.322 -0.514 39 HB3 ALA 121 HB2 ALA 121 -1.457 -4.328 -0.457 40 HB2 ALA 121 HB3 ALA 121 -2.297 -5.004 -1.853 41 H ALA 121 HN ALA 121 -4.288 -3.289 -2.378 42 HA MET 122 HA MET 122 0.498 -3.673 -4.635 43 HB2 MET 122 HB2 MET 122 -1.968 -4.278 -6.221 44 HG2 MET 122 HG2 MET 122 -0.583 -5.929 -4.745 45 HE3 MET 122 HE1 MET 122 1.871 -4.075 -5.906 46 HE2 MET 122 HE2 MET 122 3.172 -5.263 -5.842 47 HE1 MET 122 HE3 MET 122 2.011 -5.156 -4.518 48 H MET 122 HN MET 122 -2.285 -3.796 -4.072 49 HB3 MET 122 HB1 MET 122 -0.434 -4.072 -7.055 50 HG3 MET 122 HG1 MET 122 -1.284 -6.427 -6.282 51 HA GLN 123 HA GLN 123 -0.820 0.111 -7.116 52 HB2 GLN 123 HB2 GLN 123 -3.172 0.177 -7.381 53 HG2 GLN 123 HG2 GLN 123 -2.602 2.596 -5.687 54 HE21 GLN 123 HE21 GLN 123 -4.675 2.771 -4.856 55 HE22 GLN 123 HE22 GLN 123 -6.051 3.134 -5.843 56 H GLN 123 HN GLN 123 -2.249 -1.610 -5.380 57 HB3 GLN 123 HB1 GLN 123 -3.451 0.296 -5.651 58 HG3 GLN 123 HG1 GLN 123 -2.371 2.473 -7.427 59 HA LEU 124 HA LEU 124 -0.372 2.829 -3.397 60 HB2 LEU 124 HB2 LEU 124 -0.810 0.680 -1.317 61 HG LEU 124 HG LEU 124 -2.849 1.740 -2.477 62 HD11 LEU 124 HD11 LEU 124 -2.542 1.962 0.521 63 HD13 LEU 124 HD12 LEU 124 -2.993 0.510 -0.375 64 HD12 LEU 124 HD13 LEU 124 -4.069 1.908 -0.358 65 HD22 LEU 124 HD21 LEU 124 -3.498 3.939 -1.633 66 HD21 LEU 124 HD22 LEU 124 -1.993 4.025 -2.548 67 HD23 LEU 124 HD23 LEU 124 -1.957 4.077 -0.784 68 H LEU 124 HN LEU 124 -1.518 0.289 -3.654 69 HB3 LEU 124 HB1 LEU 124 -0.329 2.324 -0.934 70 HA LEU 125 HA LEU 125 3.603 0.358 -2.295 71 HB2 LEU 125 HB2 LEU 125 2.498 -1.982 -3.824 72 HG LEU 125 HG LEU 125 2.330 -1.976 -1.306 73 HD13 LEU 125 HD11 LEU 125 2.994 -4.292 -1.135 74 HD12 LEU 125 HD12 LEU 125 4.034 -4.130 -2.546 75 HD11 LEU 125 HD13 LEU 125 2.285 -4.003 -2.722 76 HD23 LEU 125 HD21 LEU 125 5.326 -2.283 -1.543 77 HD22 LEU 125 HD22 LEU 125 4.379 -2.466 -0.064 78 HD21 LEU 125 HD23 LEU 125 4.488 -0.892 -0.853 79 H LEU 125 HN LEU 125 1.013 -0.387 -3.239 80 HB3 LEU 125 HB1 LEU 125 4.230 -1.794 -3.648 81 HA THR 126 HA THR 126 4.386 0.521 -6.961 82 HB THR 126 HB THR 126 1.501 1.152 -7.625 83 HG1 THR 126 HG1 THR 126 1.741 -1.029 -7.334 84 HG21 THR 126 HG21 THR 126 3.891 0.955 -9.464 85 HG23 THR 126 HG22 THR 126 2.978 2.420 -9.093 86 HG22 THR 126 HG23 THR 126 2.211 1.102 -9.981 87 H THR 126 HN THR 126 2.050 0.186 -5.422 88 HA ALA 127 HA ALA 127 2.873 5.071 -7.023 89 HB1 ALA 127 HB1 ALA 127 1.306 4.847 -4.463 90 HB3 ALA 127 HB2 ALA 127 0.635 4.837 -6.094 91 HB2 ALA 127 HB3 ALA 127 1.446 6.280 -5.482 92 H ALA 127 HN ALA 127 1.923 2.765 -5.778 93 HA GLU 128 HA GLU 128 4.981 5.982 -2.810 94 HB2 GLU 128 HB2 GLU 128 4.081 4.092 -1.411 95 HG2 GLU 128 HG2 GLU 128 6.118 3.888 0.087 96 H GLU 128 HN GLU 128 3.490 3.809 -3.736 97 HB3 GLU 128 HB1 GLU 128 5.411 3.106 -1.996 98 HG3 GLU 128 HG1 GLU 128 6.948 4.903 -1.089 99 HA ILE 129 HA ILE 129 8.726 3.518 -4.448 100 HB ILE 129 HB ILE 129 7.059 2.081 -6.517 101 HD13 ILE 129 HD11 ILE 129 6.816 -0.400 -5.985 102 HD12 ILE 129 HD12 ILE 129 7.736 -1.073 -4.637 103 HD11 ILE 129 HD13 ILE 129 8.569 -0.547 -6.101 104 H ILE 129 HN ILE 129 5.958 3.084 -4.545 105 HA GLU 130 HA GLU 130 7.877 5.832 -8.622 106 HB2 GLU 130 HB2 GLU 130 5.136 6.646 -7.659 107 HG2 GLU 130 HG2 GLU 130 5.971 4.882 -9.946 108 H GLU 130 HN GLU 130 6.249 4.609 -6.706 109 HB3 GLU 130 HB1 GLU 130 5.899 7.223 -9.131 110 HG3 GLU 130 HG1 GLU 130 5.066 4.401 -8.511 111 HA LYS 131 HA LYS 131 7.386 9.708 -5.876 112 HB2 LYS 131 HB2 LYS 131 7.027 8.213 -3.275 113 HG2 LYS 131 HG2 LYS 131 4.963 9.659 -4.923 114 HD2 LYS 131 HD2 LYS 131 4.897 8.461 -2.170 115 HE2 LYS 131 HE2 LYS 131 2.997 7.547 -3.381 116 HZ3 LYS 131 HZ1 LYS 131 2.271 10.362 -4.006 117 HZ2 LYS 131 HZ2 LYS 131 1.340 8.986 -4.356 118 HZ1 LYS 131 HZ3 LYS 131 2.827 9.222 -5.134 119 H LYS 131 HN LYS 131 6.637 7.001 -5.534 120 HB3 LYS 131 HB1 LYS 131 6.942 9.955 -3.507 121 HG3 LYS 131 HG1 LYS 131 5.043 7.918 -4.651 122 HD3 LYS 131 HD1 LYS 131 4.450 10.094 -2.666 123 HE3 LYS 131 HE1 LYS 131 2.465 8.760 -2.219 124 HA ILE 132 HA ILE 132 11.302 8.487 -3.517 125 HB ILE 132 HB ILE 132 11.275 5.528 -4.073 126 HD11 ILE 132 HD11 ILE 132 11.662 5.013 -0.979 127 HD13 ILE 132 HD12 ILE 132 10.634 4.042 -2.033 128 HD12 ILE 132 HD13 ILE 132 9.946 4.833 -0.614 129 H ILE 132 HN ILE 132 9.012 6.977 -4.249 130 HA GLN 133 HA GLN 133 12.997 6.559 -7.614 131 HB2 GLN 133 HB2 GLN 133 10.193 6.342 -8.694 132 HG2 GLN 133 HG2 GLN 133 11.095 4.406 -7.421 133 HE21 GLN 133 HE21 GLN 133 12.510 2.664 -7.324 134 HE22 GLN 133 HE22 GLN 133 14.067 2.702 -8.071 135 H GLN 133 HN GLN 133 10.515 6.496 -6.323 136 HB3 GLN 133 HB1 GLN 133 11.608 6.261 -9.730 137 HG3 GLN 133 HG1 GLN 133 10.697 4.054 -9.103 138 HA LYS 134 HA LYS 134 11.610 10.492 -9.705 139 HB2 LYS 134 HB2 LYS 134 9.711 11.994 -9.476 140 HG2 LYS 134 HG2 LYS 134 8.651 10.192 -7.314 141 HD2 LYS 134 HD2 LYS 134 6.997 11.294 -8.825 142 HE2 LYS 134 HE2 LYS 134 8.348 13.340 -9.240 143 HZ3 LYS 134 HZ1 LYS 134 7.463 14.103 -6.512 144 HZ2 LYS 134 HZ2 LYS 134 8.277 15.099 -7.615 145 HZ1 LYS 134 HZ3 LYS 134 9.065 13.753 -6.957 146 H LYS 134 HN LYS 134 10.283 8.828 -7.760 147 HB3 LYS 134 HB1 LYS 134 9.155 10.339 -9.657 148 HG3 LYS 134 HG1 LYS 134 9.365 11.778 -7.020 149 HD3 LYS 134 HD1 LYS 134 6.869 11.775 -7.131 150 HE3 LYS 134 HE1 LYS 134 6.689 13.666 -8.745 151 HA3 GLY 135 HA2 GLY 135 12.219 11.699 -4.590 152 H GLY 135 HN GLY 135 11.104 10.537 -6.227 153 HA2 GLY 135 HA1 GLY 135 13.318 12.298 -5.828 No H/Q in entry = 153 In of MODEL 2 1 H1 GLY 95 HT1 GLY 95 -8.219 7.559 -3.411 2 H2 GLY 95 HT3 GLY 95 -9.867 7.229 -3.612 3 H3 GLY 95 HT2 GLY 95 -8.753 5.960 -3.482 4 HA3 GLY 95 HA1 GLY 95 -7.739 6.531 -5.565 5 HA2 GLY 95 HA2 GLY 95 -9.467 6.281 -5.775 No H/Q in entry = 5 In of MODEL 2 1 HA ALA 96 HA ALA 96 -8.401 10.498 -7.154 2 HB3 ALA 96 HB1 ALA 96 -7.861 9.033 -9.737 3 HB2 ALA 96 HB2 ALA 96 -6.639 9.617 -8.608 4 HB1 ALA 96 HB3 ALA 96 -7.665 10.765 -9.470 5 H ALA 96 HN ALA 96 -8.354 7.640 -7.729 No H/Q in entry = 5 In of MODEL 2 1 HA MET 97 HA MET 97 -12.375 10.013 -9.289 2 HB2 MET 97 HB2 MET 97 -13.024 8.876 -11.383 3 HG2 MET 97 HG2 MET 97 -11.783 6.715 -10.860 4 HE1 MET 97 HE1 MET 97 -9.698 5.598 -12.896 5 HE3 MET 97 HE2 MET 97 -9.719 5.118 -11.199 6 HE2 MET 97 HE3 MET 97 -8.208 5.627 -11.955 7 H MET 97 HN MET 97 -10.164 8.084 -9.034 8 HB3 MET 97 HB1 MET 97 -11.441 9.627 -11.492 9 HG3 MET 97 HG1 MET 97 -11.731 7.320 -12.515 No H/Q in entry = 9 In of MODEL 2 1 HA GLU 98 HA GLU 98 -13.747 5.621 -8.082 2 HB2 GLU 98 HB2 GLU 98 -11.373 5.272 -6.241 3 HG2 GLU 98 HG2 GLU 98 -10.968 3.323 -7.997 4 H GLU 98 HN GLU 98 -11.287 7.036 -8.214 5 HB3 GLU 98 HB1 GLU 98 -12.600 4.079 -6.638 6 HG3 GLU 98 HG1 GLU 98 -11.659 4.522 -9.089 No H/Q in entry = 6 In of MODEL 2 1 HA PRO 99 HA PRO 99 -15.550 7.820 -4.684 2 HB2 PRO 99 HB2 PRO 99 -17.412 6.003 -3.939 3 HG2 PRO 99 HG2 PRO 99 -16.665 4.149 -5.106 4 HD2 PRO 99 HD2 PRO 99 -15.098 4.333 -6.778 5 HB3 PRO 99 HB1 PRO 99 -17.571 6.982 -5.400 6 HG3 PRO 99 HG1 PRO 99 -17.732 4.864 -6.329 7 HD3 PRO 99 HD1 PRO 99 -15.971 5.651 -7.583 No H/Q in entry = 7 In of MODEL 2 1 HA GLU 100 HA GLU 100 -12.909 6.116 -1.619 2 HB2 GLU 100 HB2 GLU 100 -14.124 8.508 -0.244 3 HG2 GLU 100 HG2 GLU 100 -13.067 9.253 -2.310 4 H GLU 100 HN GLU 100 -14.521 8.055 -2.822 5 HB3 GLU 100 HB1 GLU 100 -12.654 7.662 0.212 6 HG3 GLU 100 HG1 GLU 100 -12.165 9.774 -0.892 No H/Q in entry = 6 In of MODEL 2 1 HA ASN 101 HA ASN 101 -16.777 5.588 1.199 2 HB2 ASN 101 HB2 ASN 101 -18.334 6.981 -0.400 3 HD21 ASN 101 HD21 ASN 101 -18.365 4.190 1.695 4 HD22 ASN 101 HD22 ASN 101 -19.752 4.660 2.614 5 H ASN 101 HN ASN 101 -16.275 6.834 -1.238 6 HB3 ASN 101 HB1 ASN 101 -18.786 5.393 -1.008 No H/Q in entry = 6 In of MODEL 2 1 HA LYS 102 HA LYS 102 -17.025 1.538 -0.971 2 HB2 LYS 102 HB2 LYS 102 -16.542 2.525 -3.783 3 HG2 LYS 102 HG2 LYS 102 -19.087 1.563 -2.494 4 HD2 LYS 102 HD2 LYS 102 -20.111 2.348 -4.609 5 HE2 LYS 102 HE2 LYS 102 -18.003 0.217 -4.939 6 HZ3 LYS 102 HZ1 LYS 102 -19.505 -0.657 -6.627 7 HZ2 LYS 102 HZ2 LYS 102 -18.916 0.872 -7.057 8 HZ1 LYS 102 HZ3 LYS 102 -20.501 0.707 -6.468 9 H LYS 102 HN LYS 102 -16.502 4.190 -2.041 10 HB3 LYS 102 HB1 LYS 102 -16.921 0.860 -3.357 11 HG3 LYS 102 HG1 LYS 102 -18.700 3.243 -2.874 12 HD3 LYS 102 HD1 LYS 102 -18.491 2.602 -5.260 13 HE3 LYS 102 HE1 LYS 102 -19.634 -0.027 -4.318 No H/Q in entry = 13 In of MODEL 2 1 HA TYR 103 HA TYR 103 -12.466 1.582 -2.594 2 HB2 TYR 103 HB2 TYR 103 -12.265 3.839 -3.403 3 HD1 TYR 103 HD1 TYR 103 -10.209 2.059 -3.664 4 HD2 TYR 103 HD2 TYR 103 -10.426 5.295 -0.922 5 HE1 TYR 103 HE1 TYR 103 -7.752 2.135 -3.567 6 HE2 TYR 103 HE2 TYR 103 -7.980 5.379 -0.792 7 HH TYR 103 HH TYR 103 -6.054 4.040 -1.236 8 H TYR 103 HN TYR 103 -14.443 3.516 -2.153 9 HB3 TYR 103 HB1 TYR 103 -12.356 4.483 -1.776 No H/Q in entry = 9 In of MODEL 2 1 HA LEU 104 HA LEU 104 -11.456 2.485 2.011 2 HB2 LEU 104 HB2 LEU 104 -13.114 4.130 2.610 3 HG LEU 104 HG LEU 104 -13.281 1.899 4.636 4 HD13 LEU 104 HD11 LEU 104 -10.970 2.422 4.126 5 HD12 LEU 104 HD12 LEU 104 -11.399 3.042 5.722 6 HD11 LEU 104 HD13 LEU 104 -11.291 4.142 4.349 7 HD22 LEU 104 HD21 LEU 104 -13.704 3.712 6.223 8 HD21 LEU 104 HD22 LEU 104 -14.949 3.643 4.974 9 HD23 LEU 104 HD23 LEU 104 -13.689 4.874 4.897 10 H LEU 104 HN LEU 104 -13.677 3.020 0.364 11 HB3 LEU 104 HB1 LEU 104 -14.361 2.902 2.687 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 105 HA PRO 105 -13.845 -1.469 3.534 2 HB2 PRO 105 HB2 PRO 105 -15.599 -2.557 1.723 3 HG2 PRO 105 HG2 PRO 105 -15.465 -0.816 0.159 4 HD2 PRO 105 HD2 PRO 105 -14.854 1.358 0.772 5 HB3 PRO 105 HB1 PRO 105 -16.096 -1.468 3.026 6 HG3 PRO 105 HG1 PRO 105 -16.868 -0.319 1.122 7 HD3 PRO 105 HD1 PRO 105 -15.607 1.211 2.376 No H/Q in entry = 7 In of MODEL 2 1 HA GLU 106 HA GLU 106 -12.170 -3.550 -0.476 2 HB2 GLU 106 HB2 GLU 106 -11.246 -0.894 -1.562 3 HG2 GLU 106 HG2 GLU 106 -13.565 -2.638 -2.273 4 H GLU 106 HN GLU 106 -13.163 -0.995 0.109 5 HB3 GLU 106 HB1 GLU 106 -10.959 -2.467 -2.287 6 HG3 GLU 106 HG1 GLU 106 -13.479 -0.886 -2.120 No H/Q in entry = 6 In of MODEL 2 1 HA LEU 107 HA LEU 107 -7.975 -1.617 0.860 2 HB2 LEU 107 HB2 LEU 107 -9.332 0.456 2.581 3 HG LEU 107 HG LEU 107 -9.158 1.011 0.136 4 HD13 LEU 107 HD11 LEU 107 -8.238 3.240 0.556 5 HD12 LEU 107 HD12 LEU 107 -7.546 2.666 2.074 6 HD11 LEU 107 HD13 LEU 107 -9.297 2.720 1.869 7 HD22 LEU 107 HD21 LEU 107 -7.070 -0.138 -0.341 8 HD21 LEU 107 HD22 LEU 107 -6.211 0.926 0.772 9 HD23 LEU 107 HD23 LEU 107 -6.921 1.581 -0.703 10 H LEU 107 HN LEU 107 -10.630 -0.657 0.841 11 HB3 LEU 107 HB1 LEU 107 -7.605 0.158 2.568 No H/Q in entry = 11 In of MODEL 2 1 HA MET 108 HA MET 108 -8.939 -2.739 5.413 2 HB2 MET 108 HB2 MET 108 -10.995 -3.125 6.577 3 HG2 MET 108 HG2 MET 108 -12.403 -2.347 4.043 4 HE1 MET 108 HE1 MET 108 -12.421 -0.375 6.572 5 HE3 MET 108 HE2 MET 108 -14.142 -0.013 6.699 6 HE2 MET 108 HE3 MET 108 -13.371 -0.075 5.114 7 H MET 108 HN MET 108 -10.504 -1.580 3.343 8 HB3 MET 108 HB1 MET 108 -10.973 -1.515 5.881 9 HG3 MET 108 HG1 MET 108 -12.482 -3.908 4.857 No H/Q in entry = 9 In of MODEL 2 1 HA ALA 109 HA ALA 109 -10.771 -6.802 3.893 2 HB2 ALA 109 HB1 ALA 109 -11.238 -5.924 1.036 3 HB1 ALA 109 HB2 ALA 109 -12.485 -6.134 2.266 4 HB3 ALA 109 HB3 ALA 109 -11.568 -7.528 1.694 5 H ALA 109 HN ALA 109 -10.883 -4.165 2.832 No H/Q in entry = 5 In of MODEL 2 1 HA GLU 110 HA GLU 110 -7.095 -7.291 0.904 2 HB2 GLU 110 HB2 GLU 110 -6.685 -4.310 0.568 3 HG2 GLU 110 HG2 GLU 110 -7.337 -6.421 -1.473 4 H GLU 110 HN GLU 110 -8.866 -5.115 1.414 5 HB3 GLU 110 HB1 GLU 110 -5.575 -5.534 -0.024 6 HG3 GLU 110 HG1 GLU 110 -8.434 -5.171 -0.889 No H/Q in entry = 6 In of MODEL 2 1 HA LYS 111 HA LYS 111 -4.563 -4.982 4.247 2 HB2 LYS 111 HB2 LYS 111 -5.521 -2.936 4.804 3 HG2 LYS 111 HG2 LYS 111 -6.188 -4.489 7.286 4 HD2 LYS 111 HD2 LYS 111 -4.994 -1.747 6.977 5 HE2 LYS 111 HE2 LYS 111 -6.468 -2.904 9.314 6 HZ1 LYS 111 HZ1 LYS 111 -6.148 -0.511 9.277 7 HZ3 LYS 111 HZ2 LYS 111 -4.478 -0.720 9.084 8 HZ2 LYS 111 HZ3 LYS 111 -5.231 -1.216 10.515 9 H LYS 111 HN LYS 111 -7.103 -4.568 3.115 10 HB3 LYS 111 HB1 LYS 111 -7.063 -3.660 5.238 11 HG3 LYS 111 HG1 LYS 111 -4.538 -4.078 6.819 12 HD3 LYS 111 HD1 LYS 111 -6.727 -2.038 7.156 13 HE3 LYS 111 HE1 LYS 111 -4.729 -3.117 9.115 No H/Q in entry = 13 In of MODEL 2 1 HA ASP 112 HA ASP 112 -6.790 -7.639 7.504 2 HB2 ASP 112 HB2 ASP 112 -9.146 -7.063 7.249 3 H ASP 112 HN ASP 112 -7.744 -6.205 5.267 4 HB3 ASP 112 HB1 ASP 112 -9.265 -8.092 5.826 No H/Q in entry = 4 In of MODEL 2 1 HA SER 113 HA SER 113 -6.540 -11.261 4.610 2 HB2 SER 113 HB2 SER 113 -6.817 -9.709 2.034 3 HG SER 113 HG SER 113 -8.762 -9.647 2.989 4 H SER 113 HN SER 113 -6.910 -8.421 4.119 5 HB3 SER 113 HB1 SER 113 -6.773 -11.464 2.165 No H/Q in entry = 5 In of MODEL 2 1 HA LEU 114 HA LEU 114 -2.567 -9.789 2.391 2 HB2 LEU 114 HB2 LEU 114 -3.195 -7.246 2.783 3 HG LEU 114 HG LEU 114 -0.431 -8.289 2.212 4 HD11 LEU 114 HD11 LEU 114 -2.561 -6.985 0.531 5 HD13 LEU 114 HD12 LEU 114 -2.057 -8.674 0.484 6 HD12 LEU 114 HD13 LEU 114 -0.946 -7.406 -0.040 7 HD22 LEU 114 HD21 LEU 114 0.131 -6.227 3.100 8 HD21 LEU 114 HD22 LEU 114 -1.335 -5.456 2.503 9 HD23 LEU 114 HD23 LEU 114 -0.045 -5.890 1.381 10 H LEU 114 HN LEU 114 -4.617 -8.500 3.869 11 HB3 LEU 114 HB1 LEU 114 -1.995 -7.383 4.055 No H/Q in entry = 11 In of MODEL 2 1 HA ASP 115 HA ASP 115 -0.494 -11.691 5.681 2 HB2 ASP 115 HB2 ASP 115 0.284 -12.871 3.587 3 H ASP 115 HN ASP 115 -0.608 -10.600 3.027 4 HB3 ASP 115 HB1 ASP 115 1.659 -11.771 3.559 No H/Q in entry = 4 In of MODEL 2 1 HA PRO 116 HA PRO 116 1.496 -8.355 7.700 2 HB2 PRO 116 HB2 PRO 116 2.735 -9.744 9.705 3 HG2 PRO 116 HG2 PRO 116 2.419 -11.879 8.820 4 HD2 PRO 116 HD2 PRO 116 0.738 -12.346 7.270 5 HB3 PRO 116 HB1 PRO 116 1.005 -9.379 9.685 6 HG3 PRO 116 HG1 PRO 116 0.976 -11.715 9.843 7 HD3 PRO 116 HD1 PRO 116 -0.398 -11.201 8.017 No H/Q in entry = 7 In of MODEL 2 1 HA SER 117 HA SER 117 5.925 -10.117 7.086 2 HB2 SER 117 HB2 SER 117 6.660 -11.409 5.046 3 HG SER 117 HG SER 117 3.936 -12.150 4.845 4 H SER 117 HN SER 117 3.346 -10.976 6.382 5 HB3 SER 117 HB1 SER 117 5.678 -12.315 6.193 No H/Q in entry = 5 In of MODEL 2 1 HA PHE 118 HA PHE 118 5.686 -7.197 3.522 2 HB2 PHE 118 HB2 PHE 118 2.694 -7.270 3.079 3 HD1 PHE 118 HD1 PHE 118 2.760 -9.791 3.226 4 HD2 PHE 118 HD2 PHE 118 4.936 -7.569 0.328 5 HE1 PHE 118 HE1 PHE 118 2.929 -11.797 1.828 6 HE2 PHE 118 HE2 PHE 118 5.107 -9.570 -1.079 7 HZ PHE 118 HZ PHE 118 4.106 -11.696 -0.334 8 H PHE 118 HN PHE 118 3.661 -8.838 4.854 9 HB3 PHE 118 HB1 PHE 118 3.881 -6.459 2.068 No H/Q in entry = 9 In of MODEL 2 1 HA THR 119 HA THR 119 4.512 -4.775 7.133 2 HB THR 119 HB THR 119 7.247 -3.808 6.308 3 HG1 THR 119 HG1 THR 119 6.373 -5.671 8.286 4 HG21 THR 119 HG21 THR 119 5.999 -2.116 7.550 5 HG23 THR 119 HG22 THR 119 7.311 -2.770 8.530 6 HG22 THR 119 HG23 THR 119 5.651 -3.290 8.820 7 H THR 119 HN THR 119 6.263 -5.948 5.319 No H/Q in entry = 7 In of MODEL 2 1 HA HIS 120 HA HIS 120 4.920 -0.757 4.784 2 HB2 HIS 120 HB2 HIS 120 6.310 -1.848 2.343 3 HD1 HIS 120 HD1 HIS 120 6.783 0.369 5.409 4 HD2 HIS 120 HD2 HIS 120 8.997 -1.846 2.670 5 HE1 HIS 120 HE1 HIS 120 9.157 0.452 6.229 6 HE2 HIS 120 HE2 HIS 120 10.499 -0.832 4.523 7 H HIS 120 HN HIS 120 6.079 -3.313 4.274 8 HB3 HIS 120 HB1 HIS 120 5.850 -0.164 2.563 No H/Q in entry = 8 In of MODEL 2 1 HA ALA 121 HA ALA 121 2.070 -2.220 1.177 2 HB3 ALA 121 HB1 ALA 121 2.194 -5.108 2.007 3 HB2 ALA 121 HB2 ALA 121 3.131 -4.428 0.679 4 HB1 ALA 121 HB3 ALA 121 1.369 -4.425 0.604 5 H ALA 121 HN ALA 121 4.180 -3.411 2.569 No H/Q in entry = 5 In of MODEL 2 1 HA MET 122 HA MET 122 -0.698 -3.719 4.677 2 HB2 MET 122 HB2 MET 122 1.591 -4.335 6.537 3 HG2 MET 122 HG2 MET 122 -0.077 -5.928 4.774 4 HE1 MET 122 HE1 MET 122 -2.351 -6.446 5.836 5 HE3 MET 122 HE2 MET 122 -1.941 -5.348 7.157 6 HE2 MET 122 HE3 MET 122 -2.576 -6.952 7.515 7 H MET 122 HN MET 122 2.119 -3.935 4.219 8 HB3 MET 122 HB1 MET 122 -0.100 -4.393 7.018 9 HG3 MET 122 HG1 MET 122 1.495 -6.285 5.487 No H/Q in entry = 9 In of MODEL 2 1 HA GLN 123 HA GLN 123 0.762 -0.031 7.247 2 HB2 GLN 123 HB2 GLN 123 3.111 -0.036 7.463 3 HG2 GLN 123 HG2 GLN 123 2.323 2.382 5.911 4 HE21 GLN 123 HE21 GLN 123 3.812 4.050 5.615 5 HE22 GLN 123 HE22 GLN 123 5.517 3.762 5.544 6 H GLN 123 HN GLN 123 2.093 -1.793 5.477 7 HB3 GLN 123 HB1 GLN 123 3.361 0.010 5.726 8 HG3 GLN 123 HG1 GLN 123 2.756 2.232 7.611 No H/Q in entry = 8 In of MODEL 2 1 HA LEU 124 HA LEU 124 0.412 2.782 3.587 2 HB2 LEU 124 HB2 LEU 124 0.781 0.681 1.446 3 HG LEU 124 HG LEU 124 2.859 1.572 2.655 4 HD12 LEU 124 HD11 LEU 124 4.104 1.829 0.554 5 HD11 LEU 124 HD12 LEU 124 2.578 1.967 -0.323 6 HD13 LEU 124 HD13 LEU 124 2.990 0.464 0.503 7 HD21 LEU 124 HD21 LEU 124 2.098 4.047 1.110 8 HD23 LEU 124 HD22 LEU 124 3.633 3.777 1.935 9 HD22 LEU 124 HD23 LEU 124 2.139 3.885 2.865 10 H LEU 124 HN LEU 124 1.460 0.198 3.779 11 HB3 LEU 124 HB1 LEU 124 0.392 2.360 1.115 No H/Q in entry = 11 In of MODEL 2 1 HA LEU 125 HA LEU 125 -3.621 0.445 2.360 2 HB2 LEU 125 HB2 LEU 125 -2.613 -1.924 3.915 3 HG LEU 125 HG LEU 125 -2.406 -1.937 1.403 4 HD13 LEU 125 HD11 LEU 125 -3.179 -4.243 1.240 5 HD12 LEU 125 HD12 LEU 125 -4.149 -4.034 2.695 6 HD11 LEU 125 HD13 LEU 125 -2.390 -3.961 2.787 7 HD21 LEU 125 HD21 LEU 125 -5.412 -2.131 1.621 8 HD23 LEU 125 HD22 LEU 125 -4.471 -2.429 0.158 9 HD22 LEU 125 HD23 LEU 125 -4.504 -0.816 0.872 10 H LEU 125 HN LEU 125 -1.067 -0.373 3.337 11 HB3 LEU 125 HB1 LEU 125 -4.331 -1.684 3.705 No H/Q in entry = 11 In of MODEL 2 1 HA THR 126 HA THR 126 -4.513 0.664 6.949 2 HB THR 126 HB THR 126 -1.619 0.984 7.746 3 HG1 THR 126 HG1 THR 126 -2.038 -1.139 7.590 4 HG23 THR 126 HG21 THR 126 -2.933 2.474 9.149 5 HG22 THR 126 HG22 THR 126 -2.404 1.070 10.080 6 HG21 THR 126 HG23 THR 126 -4.069 1.170 9.502 7 H THR 126 HN THR 126 -2.113 0.271 5.503 No H/Q in entry = 7 In of MODEL 2 1 HA ALA 127 HA ALA 127 -2.738 5.136 7.182 2 HB1 ALA 127 HB1 ALA 127 -0.529 4.841 6.213 3 HB2 ALA 127 HB2 ALA 127 -1.300 6.312 5.620 4 HB3 ALA 127 HB3 ALA 127 -1.225 4.881 4.593 5 H ALA 127 HN ALA 127 -1.899 2.809 5.896 No H/Q in entry = 5 In of MODEL 2 1 HA GLU 128 HA GLU 128 -4.921 6.165 3.042 2 HB2 GLU 128 HB2 GLU 128 -4.035 4.197 1.674 3 HG2 GLU 128 HG2 GLU 128 -5.887 4.240 0.023 4 H GLU 128 HN GLU 128 -3.449 3.952 3.906 5 HB3 GLU 128 HB1 GLU 128 -5.482 3.339 2.169 6 HG3 GLU 128 HG1 GLU 128 -6.828 5.180 1.175 No H/Q in entry = 6 In of MODEL 2 1 HA ILE 129 HA ILE 129 -8.661 3.754 4.782 2 HB ILE 129 HB ILE 129 -6.951 2.242 6.756 3 HD13 ILE 129 HD11 ILE 129 -7.676 -0.852 4.810 4 HD12 ILE 129 HD12 ILE 129 -8.480 -0.382 6.310 5 HD11 ILE 129 HD13 ILE 129 -6.731 -0.209 6.153 6 H ILE 129 HN ILE 129 -5.894 3.264 4.767 No H/Q in entry = 6 In of MODEL 2 1 HA GLU 130 HA GLU 130 -7.633 6.055 8.955 2 HB2 GLU 130 HB2 GLU 130 -4.855 6.668 7.930 3 HG2 GLU 130 HG2 GLU 130 -5.761 5.113 10.337 4 H GLU 130 HN GLU 130 -6.093 4.712 7.025 5 HB3 GLU 130 HB1 GLU 130 -5.568 7.388 9.366 6 HG3 GLU 130 HG1 GLU 130 -4.890 4.490 8.934 No H/Q in entry = 6 In of MODEL 2 1 HA LYS 131 HA LYS 131 -6.850 9.755 5.935 2 HB2 LYS 131 HB2 LYS 131 -5.320 8.807 4.364 3 HG2 LYS 131 HG2 LYS 131 -7.705 9.709 2.772 4 HD2 LYS 131 HD2 LYS 131 -4.801 9.678 1.993 5 HE2 LYS 131 HE2 LYS 131 -7.355 9.989 0.442 6 HZ2 LYS 131 HZ1 LYS 131 -5.936 10.147 -1.491 7 HZ1 LYS 131 HZ2 LYS 131 -5.725 8.631 -0.748 8 HZ3 LYS 131 HZ3 LYS 131 -4.559 9.848 -0.547 9 H LYS 131 HN LYS 131 -6.372 6.988 5.854 10 HB3 LYS 131 HB1 LYS 131 -6.553 7.747 3.707 11 HG3 LYS 131 HG1 LYS 131 -6.392 10.732 3.375 12 HD3 LYS 131 HD1 LYS 131 -5.896 8.350 1.619 13 HE3 LYS 131 HE1 LYS 131 -6.100 11.204 0.694 No H/Q in entry = 13 In of MODEL 2 1 HA ILE 132 HA ILE 132 -10.891 8.851 3.695 2 HB ILE 132 HB ILE 132 -11.213 5.911 4.236 3 HD13 ILE 132 HD11 ILE 132 -10.612 4.362 2.194 4 HD12 ILE 132 HD12 ILE 132 -9.755 5.096 0.838 5 HD11 ILE 132 HD13 ILE 132 -11.457 5.465 1.110 6 H ILE 132 HN ILE 132 -8.793 7.108 4.510 No H/Q in entry = 6 In of MODEL 2 1 HA GLN 133 HA GLN 133 -12.979 7.190 7.599 2 HB2 GLN 133 HB2 GLN 133 -10.395 6.298 8.853 3 HG2 GLN 133 HG2 GLN 133 -12.927 4.861 8.104 4 HE21 GLN 133 HE21 GLN 133 -13.105 2.723 8.670 5 HE22 GLN 133 HE22 GLN 133 -12.159 2.000 9.927 6 H GLN 133 HN GLN 133 -10.362 6.866 6.559 7 HB3 GLN 133 HB1 GLN 133 -11.892 6.402 9.767 8 HG3 GLN 133 HG1 GLN 133 -11.333 4.668 7.377 No H/Q in entry = 8 In of MODEL 2 1 HA LYS 134 HA LYS 134 -11.089 10.671 10.066 2 HB2 LYS 134 HB2 LYS 134 -9.189 12.131 9.771 3 HG2 LYS 134 HG2 LYS 134 -8.350 10.601 7.333 4 HD2 LYS 134 HD2 LYS 134 -6.763 12.386 7.062 5 HE2 LYS 134 HE2 LYS 134 -5.441 12.231 9.138 6 HZ1 LYS 134 HZ1 LYS 134 -6.694 9.682 8.286 7 HZ3 LYS 134 HZ2 LYS 134 -5.289 9.798 9.223 8 HZ2 LYS 134 HZ3 LYS 134 -5.299 10.387 7.632 9 H LYS 134 HN LYS 134 -10.076 9.141 7.850 10 HB3 LYS 134 HB1 LYS 134 -8.659 10.461 9.660 11 HG3 LYS 134 HG1 LYS 134 -9.234 12.126 7.231 12 HD3 LYS 134 HD1 LYS 134 -7.482 13.289 8.394 13 HE3 LYS 134 HE1 LYS 134 -6.820 11.480 9.939 No H/Q in entry = 13 In of MODEL 2 1 HA3 GLY 135 HA2 GLY 135 -13.417 11.945 5.843 2 H GLY 135 HN GLY 135 -11.419 10.765 6.639 3 HA2 GLY 135 HA1 GLY 135 -12.963 13.263 6.915 No H/Q in entry = 3 In of MODEL 2 1 H1 GLY 95 HT1 GLY 95 8.310 7.378 3.644 2 H2 GLY 95 HT3 GLY 95 9.954 7.024 3.849 3 H3 GLY 95 HT2 GLY 95 8.822 5.773 3.711 4 HA2 GLY 95 HA2 GLY 95 9.528 6.070 6.009 5 HA3 GLY 95 HA1 GLY 95 7.807 6.353 5.794 No H/Q in entry = 5 In of MODEL 2 1 HA ALA 96 HA ALA 96 8.542 10.293 7.405 2 HB2 ALA 96 HB1 ALA 96 7.961 8.834 9.982 3 HB3 ALA 96 HB2 ALA 96 6.756 9.441 8.846 4 HB1 ALA 96 HB3 ALA 96 7.797 10.569 9.714 5 H ALA 96 HN ALA 96 8.443 7.433 7.966 No H/Q in entry = 5 In of MODEL 2 1 HA MET 97 HA MET 97 12.494 9.723 9.553 2 HB2 MET 97 HB2 MET 97 13.122 8.555 11.640 3 HG2 MET 97 HG2 MET 97 11.841 6.426 11.096 4 HE1 MET 97 HE1 MET 97 9.724 5.338 13.124 5 HE3 MET 97 HE2 MET 97 9.744 4.864 11.426 6 HE2 MET 97 HE3 MET 97 8.240 5.399 12.175 7 H MET 97 HN MET 97 10.247 7.838 9.284 8 HB3 MET 97 HB1 MET 97 11.553 9.337 11.756 9 HG3 MET 97 HG1 MET 97 11.792 7.013 12.755 No H/Q in entry = 9 In of MODEL 2 1 HA GLU 98 HA GLU 98 13.785 5.308 8.316 2 HB2 GLU 98 HB2 GLU 98 11.410 5.027 6.467 3 HG2 GLU 98 HG2 GLU 98 10.963 3.074 8.210 4 H GLU 98 HN GLU 98 11.351 6.769 8.456 5 HB3 GLU 98 HB1 GLU 98 12.612 3.804 6.859 6 HG3 GLU 98 HG1 GLU 98 11.674 4.253 9.309 No H/Q in entry = 6 In of MODEL 2 1 HA PRO 99 HA PRO 99 15.645 7.502 4.931 2 HB2 PRO 99 HB2 PRO 99 17.480 5.651 4.182 3 HG2 PRO 99 HG2 PRO 99 16.691 3.808 5.338 4 HD2 PRO 99 HD2 PRO 99 15.117 4.010 7.000 5 HB3 PRO 99 HB1 PRO 99 17.652 6.620 5.651 6 HG3 PRO 99 HG1 PRO 99 17.762 4.494 6.573 7 HD3 PRO 99 HD1 PRO 99 16.010 5.302 7.821 No H/Q in entry = 7 In of MODEL 2 1 HA GLU 100 HA GLU 100 12.978 5.867 1.855 2 HB2 GLU 100 HB2 GLU 100 14.251 8.246 0.501 3 HG2 GLU 100 HG2 GLU 100 13.203 8.989 2.574 4 H GLU 100 HN GLU 100 14.632 7.756 3.068 5 HB3 GLU 100 HB1 GLU 100 12.763 7.438 0.032 6 HG3 GLU 100 HG1 GLU 100 12.318 9.546 1.157 No H/Q in entry = 6 In of MODEL 2 1 HA ASN 101 HA ASN 101 16.842 5.275 -0.956 2 HB2 ASN 101 HB2 ASN 101 18.411 6.634 0.661 3 HD21 ASN 101 HD21 ASN 101 18.389 3.863 -1.456 4 HD22 ASN 101 HD22 ASN 101 19.785 4.324 -2.374 5 H ASN 101 HN ASN 101 16.358 6.523 1.480 6 HB3 ASN 101 HB1 ASN 101 18.839 5.034 1.255 No H/Q in entry = 6 In of MODEL 2 1 HA LYS 102 HA LYS 102 17.004 1.213 1.185 2 HB2 LYS 102 HB2 LYS 102 16.533 2.192 4.003 3 HG2 LYS 102 HG2 LYS 102 19.064 1.188 2.715 4 HD2 LYS 102 HD2 LYS 102 20.096 1.936 4.840 5 HE2 LYS 102 HE2 LYS 102 17.950 -0.159 5.146 6 HZ3 LYS 102 HZ1 LYS 102 19.421 -1.076 6.837 7 HZ2 LYS 102 HZ2 LYS 102 18.871 0.468 7.273 8 HZ1 LYS 102 HZ3 LYS 102 20.451 0.267 6.696 9 H LYS 102 HN LYS 102 16.524 3.869 2.272 10 HB3 LYS 102 HB1 LYS 102 16.880 0.522 3.571 11 HG3 LYS 102 HG1 LYS 102 18.709 2.870 3.110 12 HD3 LYS 102 HD1 LYS 102 18.481 2.213 5.493 13 HE3 LYS 102 HE1 LYS 102 19.581 -0.426 4.529 No H/Q in entry = 13 In of MODEL 2 1 HA TYR 103 HA TYR 103 12.442 1.341 2.799 2 HB2 TYR 103 HB2 TYR 103 12.285 3.597 3.615 3 HD1 TYR 103 HD1 TYR 103 10.191 1.853 3.870 4 HD2 TYR 103 HD2 TYR 103 10.476 5.100 1.142 5 HE1 TYR 103 HE1 TYR 103 7.735 1.977 3.763 6 HE2 TYR 103 HE2 TYR 103 8.030 5.232 1.010 7 HH TYR 103 HH TYR 103 6.082 3.930 1.443 8 H TYR 103 HN TYR 103 14.458 3.234 2.379 9 HB3 TYR 103 HB1 TYR 103 12.389 4.245 1.992 No H/Q in entry = 9 In of MODEL 2 1 HA LEU 104 HA LEU 104 11.463 2.295 -1.811 2 HB2 LEU 104 HB2 LEU 104 13.163 3.911 -2.386 3 HG LEU 104 HG LEU 104 13.291 1.691 -4.429 4 HD13 LEU 104 HD11 LEU 104 10.987 2.248 -3.924 5 HD12 LEU 104 HD12 LEU 104 11.433 2.877 -5.511 6 HD11 LEU 104 HD13 LEU 104 11.337 3.965 -4.125 7 HD23 LEU 104 HD21 LEU 104 13.747 3.508 -5.999 8 HD22 LEU 104 HD22 LEU 104 14.990 3.404 -4.752 9 HD21 LEU 104 HD23 LEU 104 13.754 4.660 -4.664 10 H LEU 104 HN LEU 104 13.687 2.772 -0.149 11 HB3 LEU 104 HB1 LEU 104 14.381 2.654 -2.468 No H/Q in entry = 11 In of MODEL 2 1 HA PRO 105 HA PRO 105 13.778 -1.699 -3.344 2 HB2 PRO 105 HB2 PRO 105 15.511 -2.832 -1.541 3 HG2 PRO 105 HG2 PRO 105 15.403 -1.101 0.036 4 HD2 PRO 105 HD2 PRO 105 14.844 1.091 -0.564 5 HB3 PRO 105 HB1 PRO 105 16.029 -1.742 -2.835 6 HG3 PRO 105 HG1 PRO 105 16.820 -0.624 -0.918 7 HD3 PRO 105 HD1 PRO 105 15.595 0.940 -2.169 No H/Q in entry = 7 In of MODEL 2 1 HA GLU 106 HA GLU 106 12.055 -3.777 0.641 2 HB2 GLU 106 HB2 GLU 106 11.182 -1.111 1.738 3 HG2 GLU 106 HG2 GLU 106 13.460 -2.906 2.444 4 H GLU 106 HN GLU 106 13.098 -1.236 0.079 5 HB3 GLU 106 HB1 GLU 106 10.855 -2.682 2.451 6 HG3 GLU 106 HG1 GLU 106 13.407 -1.151 2.311 No H/Q in entry = 6 In of MODEL 2 1 HA LEU 107 HA LEU 107 7.905 -1.753 -0.691 2 HB2 LEU 107 HB2 LEU 107 9.305 0.306 -2.394 3 HG LEU 107 HG LEU 107 9.135 0.846 0.054 4 HD12 LEU 107 HD11 LEU 107 8.257 3.097 -0.352 5 HD11 LEU 107 HD12 LEU 107 7.567 2.550 -1.880 6 HD13 LEU 107 HD13 LEU 107 9.317 2.570 -1.659 7 HD22 LEU 107 HD21 LEU 107 7.027 -0.260 0.516 8 HD21 LEU 107 HD22 LEU 107 6.193 0.825 -0.594 9 HD23 LEU 107 HD23 LEU 107 6.908 1.461 0.888 10 H LEU 107 HN LEU 107 10.582 -0.848 -0.668 11 HB3 LEU 107 HB1 LEU 107 7.573 0.039 -2.388 No H/Q in entry = 11 In of MODEL 2 1 HA MET 108 HA MET 108 8.857 -2.861 -5.241 2 HB2 MET 108 HB2 MET 108 10.907 -3.275 -6.411 3 HG2 MET 108 HG2 MET 108 12.321 -2.541 -3.869 4 HE1 MET 108 HE1 MET 108 12.390 -0.554 -6.378 5 HE3 MET 108 HE2 MET 108 14.119 -0.227 -6.496 6 HE2 MET 108 HE3 MET 108 13.338 -0.289 -4.916 7 H MET 108 HN MET 108 10.446 -1.755 -3.162 8 HB3 MET 108 HB1 MET 108 10.916 -1.669 -5.703 9 HG3 MET 108 HG1 MET 108 12.371 -4.099 -4.692 No H/Q in entry = 9 In of MODEL 2 1 HA ALA 109 HA ALA 109 10.606 -6.967 -3.753 2 HB3 ALA 109 HB1 ALA 109 11.080 -6.117 -0.892 3 HB1 ALA 109 HB2 ALA 109 12.326 -6.350 -2.118 4 HB2 ALA 109 HB3 ALA 109 11.377 -7.724 -1.556 5 H ALA 109 HN ALA 109 10.769 -4.342 -2.669 No H/Q in entry = 5 In of MODEL 2 1 HA GLU 110 HA GLU 110 6.918 -7.408 -0.785 2 HB2 GLU 110 HB2 GLU 110 6.558 -4.427 -0.422 3 HG2 GLU 110 HG2 GLU 110 7.168 -6.565 1.605 4 H GLU 110 HN GLU 110 8.726 -5.255 -1.279 5 HB3 GLU 110 HB1 GLU 110 5.427 -5.639 0.156 6 HG3 GLU 110 HG1 GLU 110 8.290 -5.330 1.032 No H/Q in entry = 6 In of MODEL 2 1 HA LYS 111 HA LYS 111 4.436 -5.030 -4.107 2 HB2 LYS 111 HB2 LYS 111 5.438 -3.002 -4.650 3 HG2 LYS 111 HG2 LYS 111 6.078 -4.547 -7.142 4 HD2 LYS 111 HD2 LYS 111 4.935 -1.783 -6.815 5 HE2 LYS 111 HE2 LYS 111 6.393 -2.959 -9.158 6 HZ1 LYS 111 HZ1 LYS 111 6.137 -0.566 -9.112 7 HZ3 LYS 111 HZ2 LYS 111 4.458 -0.721 -8.925 8 HZ2 LYS 111 HZ3 LYS 111 5.204 -1.237 -10.356 9 H LYS 111 HN LYS 111 6.983 -4.672 -2.975 10 HB3 LYS 111 HB1 LYS 111 6.963 -3.755 -5.090 11 HG3 LYS 111 HG1 LYS 111 4.434 -4.108 -6.677 12 HD3 LYS 111 HD1 LYS 111 6.662 -2.107 -6.992 13 HE3 LYS 111 HE1 LYS 111 4.646 -3.132 -8.967 No H/Q in entry = 13 In of MODEL 2 1 HA ASP 112 HA ASP 112 6.618 -7.706 -7.377 2 HB2 ASP 112 HB2 ASP 112 8.981 -7.160 -7.113 3 H ASP 112 HN ASP 112 7.591 -6.304 -5.129 4 HB3 ASP 112 HB1 ASP 112 9.083 -8.204 -5.698 No H/Q in entry = 4 In of MODEL 2 1 HA SER 113 HA SER 113 6.298 -11.343 -4.513 2 HB2 SER 113 HB2 SER 113 6.596 -9.817 -1.924 3 HG SER 113 HG SER 113 8.541 -9.788 -2.914 4 H SER 113 HN SER 113 6.728 -8.514 -3.994 5 HB3 SER 113 HB1 SER 113 6.518 -11.570 -2.067 No H/Q in entry = 5 In of MODEL 2 1 HA LEU 114 HA LEU 114 2.349 -9.809 -2.293 2 HB2 LEU 114 HB2 LEU 114 3.020 -7.273 -2.668 3 HG LEU 114 HG LEU 114 0.235 -8.271 -2.112 4 HD11 LEU 114 HD11 LEU 114 2.386 -7.021 -0.421 5 HD13 LEU 114 HD12 LEU 114 1.850 -8.700 -0.385 6 HD12 LEU 114 HD13 LEU 114 0.764 -7.414 0.149 7 HD22 LEU 114 HD21 LEU 114 -0.283 -6.191 -2.988 8 HD21 LEU 114 HD22 LEU 114 1.198 -5.456 -2.380 9 HD23 LEU 114 HD23 LEU 114 -0.105 -5.867 -1.267 10 H LEU 114 HN LEU 114 4.429 -8.549 -3.758 11 HB3 LEU 114 HB1 LEU 114 1.822 -7.384 -3.945 No H/Q in entry = 11 In of MODEL 2 1 HA ASP 115 HA ASP 115 0.248 -11.648 -5.601 2 HB2 ASP 115 HB2 ASP 115 -0.560 -12.821 -3.512 3 H ASP 115 HN ASP 115 0.363 -10.559 -2.947 4 HB3 ASP 115 HB1 ASP 115 -1.918 -11.700 -3.493 No H/Q in entry = 4 In of MODEL 2 1 HA PRO 116 HA PRO 116 -1.681 -8.260 -7.608 2 HB2 PRO 116 HB2 PRO 116 -2.925 -9.608 -9.635 3 HG2 PRO 116 HG2 PRO 116 -2.662 -11.756 -8.758 4 HD2 PRO 116 HD2 PRO 116 -0.996 -12.267 -7.206 5 HB3 PRO 116 HB1 PRO 116 -1.188 -9.278 -9.595 6 HG3 PRO 116 HG1 PRO 116 -1.209 -11.615 -9.772 7 HD3 PRO 116 HD1 PRO 116 0.165 -11.136 -7.939 No H/Q in entry = 7 In of MODEL 2 1 HA SER 117 HA SER 117 -6.146 -9.936 -7.015 2 HB2 SER 117 HB2 SER 117 -6.900 -11.236 -4.980 3 HG SER 117 HG SER 117 -4.192 -12.042 -4.802 4 H SER 117 HN SER 117 -3.585 -10.852 -6.311 5 HB3 SER 117 HB1 SER 117 -5.943 -12.147 -6.142 No H/Q in entry = 5 In of MODEL 2 1 HA PHE 118 HA PHE 118 -5.859 -7.051 -3.432 2 HB2 PHE 118 HB2 PHE 118 -2.867 -7.188 -2.983 3 HD1 PHE 118 HD1 PHE 118 -2.985 -9.704 -3.147 4 HD2 PHE 118 HD2 PHE 118 -5.123 -7.465 -0.234 5 HE1 PHE 118 HE1 PHE 118 -3.199 -11.719 -1.767 6 HE2 PHE 118 HE2 PHE 118 -5.335 -9.474 1.157 7 HZ PHE 118 HZ PHE 118 -4.376 -11.614 0.398 8 H PHE 118 HN PHE 118 -3.857 -8.710 -4.778 9 HB3 PHE 118 HB1 PHE 118 -4.038 -6.357 -1.969 No H/Q in entry = 9 In of MODEL 2 1 HA THR 119 HA THR 119 -4.622 -4.622 -7.017 2 HB THR 119 HB THR 119 -7.345 -3.614 -6.197 3 HG1 THR 119 HG1 THR 119 -6.476 -5.465 -8.193 4 HG21 THR 119 HG21 THR 119 -6.059 -1.930 -7.416 5 HG23 THR 119 HG22 THR 119 -7.380 -2.550 -8.408 6 HG22 THR 119 HG23 THR 119 -5.729 -3.099 -8.695 7 H THR 119 HN THR 119 -6.409 -5.766 -5.216 No H/Q in entry = 7 In of MODEL 2 1 HA HIS 120 HA HIS 120 -4.967 -0.616 -4.646 2 HB2 HIS 120 HB2 HIS 120 -6.380 -1.706 -2.219 3 HD1 HIS 120 HD1 HIS 120 -6.800 0.541 -5.269 4 HD2 HIS 120 HD2 HIS 120 -9.067 -1.643 -2.548 5 HE1 HIS 120 HE1 HIS 120 -9.172 0.677 -6.095 6 HE2 HIS 120 HE2 HIS 120 -10.545 -0.589 -4.402 7 H HIS 120 HN HIS 120 -6.171 -3.155 -4.155 8 HB3 HIS 120 HB1 HIS 120 -5.891 -0.027 -2.420 No H/Q in entry = 8 In of MODEL 2 1 HA ALA 121 HA ALA 121 -2.147 -2.160 -1.040 2 HB2 ALA 121 HB1 ALA 121 -2.333 -5.041 -1.886 3 HB1 ALA 121 HB2 ALA 121 -3.256 -4.347 -0.555 4 HB3 ALA 121 HB3 ALA 121 -1.495 -4.384 -0.479 5 H ALA 121 HN ALA 121 -4.279 -3.298 -2.446 No H/Q in entry = 5 In of MODEL 2 1 HA MET 122 HA MET 122 0.595 -3.687 -4.541 2 HB2 MET 122 HB2 MET 122 -1.696 -4.245 -6.414 3 HG2 MET 122 HG2 MET 122 -0.064 -5.882 -4.659 4 HE1 MET 122 HE1 MET 122 2.202 -6.434 -5.719 5 HE3 MET 122 HE2 MET 122 1.815 -5.315 -7.029 6 HE2 MET 122 HE3 MET 122 2.426 -6.929 -7.397 7 H MET 122 HN MET 122 -2.227 -3.852 -4.093 8 HB3 MET 122 HB1 MET 122 -0.004 -4.327 -6.890 9 HG3 MET 122 HG1 MET 122 -1.638 -6.204 -5.379 No H/Q in entry = 9 In of MODEL 2 1 HA GLN 123 HA GLN 123 -0.785 0.046 -7.097 2 HB2 GLN 123 HB2 GLN 123 -3.134 0.091 -7.316 3 HG2 GLN 123 HG2 GLN 123 -2.302 2.483 -5.744 4 HE21 GLN 123 HE21 GLN 123 -3.756 4.181 -5.444 5 HE22 GLN 123 HE22 GLN 123 -5.465 3.926 -5.364 6 H GLN 123 HN GLN 123 -2.157 -1.697 -5.332 7 HB3 GLN 123 HB1 GLN 123 -3.384 0.128 -5.578 8 HG3 GLN 123 HG1 GLN 123 -2.738 2.354 -7.446 No H/Q in entry = 8 In of MODEL 2 1 HA LEU 124 HA LEU 124 -0.389 2.827 -3.415 2 HB2 LEU 124 HB2 LEU 124 -0.807 0.721 -1.285 3 HG LEU 124 HG LEU 124 -2.861 1.661 -2.495 4 HD12 LEU 124 HD11 LEU 124 -4.106 1.925 -0.390 5 HD11 LEU 124 HD12 LEU 124 -2.580 2.023 0.489 6 HD13 LEU 124 HD13 LEU 124 -3.023 0.535 -0.353 7 HD21 LEU 124 HD21 LEU 124 -2.052 4.111 -0.932 8 HD23 LEU 124 HD22 LEU 124 -3.591 3.879 -1.760 9 HD22 LEU 124 HD23 LEU 124 -2.095 3.960 -2.690 10 H LEU 124 HN LEU 124 -1.483 0.260 -3.626 11 HB3 LEU 124 HB1 LEU 124 -0.387 2.391 -0.943 No H/Q in entry = 11 In of MODEL 2 1 HA LEU 125 HA LEU 125 3.591 0.401 -2.186 2 HB2 LEU 125 HB2 LEU 125 2.539 -1.934 -3.760 3 HG LEU 125 HG LEU 125 2.333 -1.962 -1.250 4 HD13 LEU 125 HD11 LEU 125 3.057 -4.281 -1.103 5 HD12 LEU 125 HD12 LEU 125 4.038 -4.083 -2.552 6 HD11 LEU 125 HD13 LEU 125 2.281 -3.971 -2.653 7 HD21 LEU 125 HD21 LEU 125 5.335 -2.212 -1.462 8 HD23 LEU 125 HD22 LEU 125 4.384 -2.499 -0.003 9 HD22 LEU 125 HD23 LEU 125 4.450 -0.882 -0.708 10 H LEU 125 HN LEU 125 1.026 -0.357 -3.178 11 HB3 LEU 125 HB1 LEU 125 4.263 -1.730 -3.550 No H/Q in entry = 11 In of MODEL 2 1 HA THR 126 HA THR 126 4.504 0.635 -6.776 2 HB THR 126 HB THR 126 1.619 1.021 -7.577 3 HG1 THR 126 HG1 THR 126 1.992 -1.110 -7.439 4 HG23 THR 126 HG21 THR 126 2.971 2.494 -8.967 5 HG22 THR 126 HG22 THR 126 2.410 1.111 -9.911 6 HG21 THR 126 HG23 THR 126 4.077 1.169 -9.332 7 H THR 126 HN THR 126 2.092 0.285 -5.336 No H/Q in entry = 7 In of MODEL 2 1 HA ALA 127 HA ALA 127 2.814 5.141 -6.982 2 HB3 ALA 127 HB1 ALA 127 0.596 4.882 -6.014 3 HB2 ALA 127 HB2 ALA 127 1.395 6.336 -5.419 4 HB1 ALA 127 HB3 ALA 127 1.294 4.903 -4.395 5 H ALA 127 HN ALA 127 1.928 2.821 -5.720 No H/Q in entry = 5 In of MODEL 2 1 HA GLU 128 HA GLU 128 5.003 6.106 -2.833 2 HB2 GLU 128 HB2 GLU 128 4.078 4.152 -1.473 3 HG2 GLU 128 HG2 GLU 128 5.922 4.144 0.183 4 H GLU 128 HN GLU 128 3.494 3.922 -3.707 5 HB3 GLU 128 HB1 GLU 128 5.509 3.267 -1.968 6 HG3 GLU 128 HG1 GLU 128 6.892 5.071 -0.956 No H/Q in entry = 6 In of MODEL 2 1 HA ILE 129 HA ILE 129 8.701 3.631 -4.573 2 HB ILE 129 HB ILE 129 6.971 2.163 -6.564 3 HD13 ILE 129 HD11 ILE 129 7.630 -0.954 -4.640 4 HD12 ILE 129 HD12 ILE 129 8.453 -0.493 -6.131 5 HD11 ILE 129 HD13 ILE 129 6.706 -0.285 -5.985 6 H ILE 129 HN ILE 129 5.925 3.195 -4.566 No H/Q in entry = 6 In of MODEL 2 1 HA GLU 130 HA GLU 130 7.734 5.977 -8.730 2 HB2 GLU 130 HB2 GLU 130 4.967 6.643 -7.711 3 HG2 GLU 130 HG2 GLU 130 5.842 5.084 -10.125 4 H GLU 130 HN GLU 130 6.156 4.663 -6.810 5 HB3 GLU 130 HB1 GLU 130 5.699 7.354 -9.139 6 HG3 GLU 130 HG1 GLU 130 4.955 4.471 -8.724 No H/Q in entry = 6 In of MODEL 2 1 HA LYS 131 HA LYS 131 7.016 9.675 -5.689 2 HB2 LYS 131 HB2 LYS 131 5.462 8.741 -4.133 3 HG2 LYS 131 HG2 LYS 131 7.860 9.592 -2.534 4 HD2 LYS 131 HD2 LYS 131 4.954 9.598 -1.756 5 HE2 LYS 131 HE2 LYS 131 7.508 9.876 -0.192 6 HZ2 LYS 131 HZ1 LYS 131 6.056 10.065 1.728 7 HZ1 LYS 131 HZ2 LYS 131 5.880 8.539 0.996 8 HZ3 LYS 131 HZ3 LYS 131 4.701 9.736 0.766 9 H LYS 131 HN LYS 131 6.489 6.916 -5.626 10 HB3 LYS 131 HB1 LYS 131 6.677 7.656 -3.479 11 HG3 LYS 131 HG1 LYS 131 6.566 10.641 -3.131 12 HD3 LYS 131 HD1 LYS 131 6.035 8.258 -1.381 13 HE3 LYS 131 HE1 LYS 131 6.270 11.110 -0.443 No H/Q in entry = 13 In of MODEL 2 1 HA ILE 132 HA ILE 132 11.031 8.681 -3.444 2 HB ILE 132 HB ILE 132 11.299 5.741 -4.004 3 HD13 ILE 132 HD11 ILE 132 10.662 4.186 -1.973 4 HD12 ILE 132 HD12 ILE 132 9.809 4.926 -0.618 5 HD11 ILE 132 HD13 ILE 132 11.521 5.265 -0.875 6 H ILE 132 HN ILE 132 8.906 6.984 -4.280 No H/Q in entry = 6 In of MODEL 2 1 HA GLN 133 HA GLN 133 13.093 6.997 -7.350 2 HB2 GLN 133 HB2 GLN 133 10.497 6.169 -8.623 3 HG2 GLN 133 HG2 GLN 133 13.002 4.675 -7.885 4 HE21 GLN 133 HE21 GLN 133 13.136 2.544 -8.470 5 HE22 GLN 133 HE22 GLN 133 12.178 1.853 -9.732 6 H GLN 133 HN GLN 133 10.464 6.718 -6.319 7 HB3 GLN 133 HB1 GLN 133 12.001 6.251 -9.530 8 HG3 GLN 133 HG1 GLN 133 11.406 4.506 -7.155 No H/Q in entry = 8 In of MODEL 2 1 HA LYS 134 HA LYS 134 11.284 10.537 -9.801 2 HB2 LYS 134 HB2 LYS 134 9.412 12.037 -9.501 3 HG2 LYS 134 HG2 LYS 134 8.530 10.502 -7.084 4 HD2 LYS 134 HD2 LYS 134 6.977 12.311 -6.801 5 HE2 LYS 134 HE2 LYS 134 5.664 12.197 -8.882 6 HZ1 LYS 134 HZ1 LYS 134 6.869 9.617 -8.053 7 HZ3 LYS 134 HZ2 LYS 134 5.478 9.767 -9.005 8 HZ2 LYS 134 HZ3 LYS 134 5.475 10.333 -7.404 9 H LYS 134 HN LYS 134 10.229 9.006 -7.604 10 HB3 LYS 134 HB1 LYS 134 8.843 10.379 -9.411 11 HG3 LYS 134 HG1 LYS 134 9.441 12.008 -6.964 12 HD3 LYS 134 HD1 LYS 134 7.715 13.215 -8.123 13 HE3 LYS 134 HE1 LYS 134 7.035 11.433 -9.684 No H/Q in entry = 13 In of MODEL 2 1 HA3 GLY 135 HA2 GLY 135 13.625 11.733 -5.561 2 H GLY 135 HN GLY 135 11.603 10.598 -6.368 3 HA2 GLY 135 HA1 GLY 135 13.204 13.066 -6.628 4 H1 GLY 95 HT3 GLY 95 -12.119 4.893 -9.740 5 H2 GLY 95 HT2 GLY 95 -12.293 4.107 -8.244 6 H3 GLY 95 HT1 GLY 95 -13.005 3.448 -9.637 7 HA3 GLY 95 HA1 GLY 95 -14.723 4.473 -8.394 8 HA2 GLY 95 HA2 GLY 95 -13.764 5.934 -8.216 No H/Q in entry = 8 In of MODEL 3 1 HA ALA 96 HA ALA 96 -14.958 6.424 -12.589 2 HB2 ALA 96 HB1 ALA 96 -13.456 4.767 -13.626 3 HB3 ALA 96 HB2 ALA 96 -14.908 5.042 -14.589 4 HB1 ALA 96 HB3 ALA 96 -14.767 3.587 -13.604 5 H ALA 96 HN ALA 96 -14.205 4.007 -11.179 No H/Q in entry = 5 In of MODEL 3 1 HA MET 97 HA MET 97 -19.052 4.609 -11.933 2 HB2 MET 97 HB2 MET 97 -18.811 3.002 -13.777 3 HG2 MET 97 HG2 MET 97 -20.585 1.864 -11.633 4 HE1 MET 97 HE1 MET 97 -23.195 1.713 -13.347 5 HE3 MET 97 HE2 MET 97 -22.666 0.397 -12.297 6 HE2 MET 97 HE3 MET 97 -23.129 0.063 -13.966 7 H MET 97 HN MET 97 -16.413 3.314 -11.768 8 HB3 MET 97 HB1 MET 97 -18.375 1.744 -12.633 9 HG3 MET 97 HG1 MET 97 -21.028 3.156 -12.747 No H/Q in entry = 9 In of MODEL 3 1 HA GLU 98 HA GLU 98 -18.373 1.593 -8.280 2 HB2 GLU 98 HB2 GLU 98 -15.535 2.438 -7.782 3 HG2 GLU 98 HG2 GLU 98 -14.997 0.090 -8.751 4 H GLU 98 HN GLU 98 -16.750 2.821 -10.257 5 HB3 GLU 98 HB1 GLU 98 -16.380 1.016 -7.192 6 HG3 GLU 98 HG1 GLU 98 -16.450 0.365 -9.713 No H/Q in entry = 6 In of MODEL 3 1 HA PRO 99 HA PRO 99 -19.255 5.068 -5.703 2 HB2 PRO 99 HB2 PRO 99 -19.532 3.743 -3.321 3 HG2 PRO 99 HG2 PRO 99 -18.892 1.626 -3.893 4 HD2 PRO 99 HD2 PRO 99 -18.341 1.114 -6.039 5 HB3 PRO 99 HB1 PRO 99 -20.781 3.813 -4.568 6 HG3 PRO 99 HG1 PRO 99 -20.558 1.530 -4.481 7 HD3 PRO 99 HD1 PRO 99 -19.911 1.640 -6.667 No H/Q in entry = 7 In of MODEL 3 1 HA GLU 100 HA GLU 100 -15.232 5.941 -4.591 2 HB2 GLU 100 HB2 GLU 100 -16.219 8.088 -5.353 3 HG2 GLU 100 HG2 GLU 100 -14.361 8.465 -3.015 4 H GLU 100 HN GLU 100 -18.003 6.499 -4.753 5 HB3 GLU 100 HB1 GLU 100 -16.680 8.429 -3.691 6 HG3 GLU 100 HG1 GLU 100 -13.857 8.009 -4.642 No H/Q in entry = 6 In of MODEL 3 1 HA ASN 101 HA ASN 101 -15.884 6.220 0.033 2 HB2 ASN 101 HB2 ASN 101 -18.172 7.105 0.225 3 HD21 ASN 101 HD21 ASN 101 -17.211 7.630 2.186 4 HD22 ASN 101 HD22 ASN 101 -17.411 6.651 3.602 5 H ASN 101 HN ASN 101 -17.694 5.858 -2.234 6 HB3 ASN 101 HB1 ASN 101 -18.826 5.488 -0.018 No H/Q in entry = 6 In of MODEL 3 1 HA LYS 102 HA LYS 102 -17.012 1.569 0.137 2 HB2 LYS 102 HB2 LYS 102 -18.748 1.681 -1.803 3 HG2 LYS 102 HG2 LYS 102 -17.143 -0.819 -1.314 4 HD2 LYS 102 HD2 LYS 102 -19.909 -0.430 -2.446 5 HE2 LYS 102 HE2 LYS 102 -18.468 -2.911 -1.527 6 HZ3 LYS 102 HZ1 LYS 102 -20.505 -4.054 -2.324 7 HZ2 LYS 102 HZ2 LYS 102 -19.507 -3.468 -3.558 8 HZ1 LYS 102 HZ3 LYS 102 -20.929 -2.636 -3.155 9 H LYS 102 HN LYS 102 -17.723 3.678 -1.562 10 HB3 LYS 102 HB1 LYS 102 -17.407 1.122 -2.794 11 HG3 LYS 102 HG1 LYS 102 -18.533 -0.272 -0.377 12 HD3 LYS 102 HD1 LYS 102 -18.508 -1.125 -3.269 13 HE3 LYS 102 HE1 LYS 102 -19.979 -2.262 -0.895 No H/Q in entry = 13 In of MODEL 3 1 HA TYR 103 HA TYR 103 -12.915 1.570 -2.381 2 HB2 TYR 103 HB2 TYR 103 -12.862 3.850 -3.161 3 HD1 TYR 103 HD1 TYR 103 -10.933 5.180 -0.566 4 HD2 TYR 103 HD2 TYR 103 -10.748 2.361 -3.745 5 HE1 TYR 103 HE1 TYR 103 -8.484 5.367 -0.570 6 HE2 TYR 103 HE2 TYR 103 -8.295 2.538 -3.760 7 HH TYR 103 HH TYR 103 -6.545 4.151 -1.278 8 H TYR 103 HN TYR 103 -14.956 3.383 -1.743 9 HB3 TYR 103 HB1 TYR 103 -12.898 4.469 -1.520 No H/Q in entry = 9 In of MODEL 3 1 HA LEU 104 HA LEU 104 -11.767 2.483 2.218 2 HB2 LEU 104 HB2 LEU 104 -13.552 3.976 2.858 3 HG LEU 104 HG LEU 104 -13.523 1.710 4.854 4 HD12 LEU 104 HD11 LEU 104 -11.784 3.080 5.975 5 HD11 LEU 104 HD12 LEU 104 -11.750 4.127 4.556 6 HD13 LEU 104 HD13 LEU 104 -11.268 2.438 4.414 7 HD23 LEU 104 HD21 LEU 104 -14.113 3.500 6.449 8 HD22 LEU 104 HD22 LEU 104 -15.357 3.247 5.223 9 HD21 LEU 104 HD23 LEU 104 -14.263 4.624 5.095 10 H LEU 104 HN LEU 104 -14.054 2.864 0.612 11 HB3 LEU 104 HB1 LEU 104 -14.694 2.650 2.917 No H/Q in entry = 11 In of MODEL 3 1 HA PRO 105 HA PRO 105 -13.792 -1.702 3.640 2 HB2 PRO 105 HB2 PRO 105 -15.553 -2.841 1.865 3 HG2 PRO 105 HG2 PRO 105 -15.673 -1.039 0.397 4 HD2 PRO 105 HD2 PRO 105 -15.129 1.137 1.049 5 HB3 PRO 105 HB1 PRO 105 -16.048 -1.862 3.254 6 HG3 PRO 105 HG1 PRO 105 -17.022 -0.669 1.493 7 HD3 PRO 105 HD1 PRO 105 -15.778 0.906 2.688 No H/Q in entry = 7 In of MODEL 3 1 HA GLU 106 HA GLU 106 -12.173 -3.497 -0.536 2 HB2 GLU 106 HB2 GLU 106 -11.432 -0.715 -1.450 3 HG2 GLU 106 HG2 GLU 106 -13.786 -1.352 -1.873 4 H GLU 106 HN GLU 106 -13.247 -1.027 0.210 5 HB3 GLU 106 HB1 GLU 106 -10.926 -2.195 -2.245 6 HG3 GLU 106 HG1 GLU 106 -12.837 -1.074 -3.332 No H/Q in entry = 6 In of MODEL 3 1 HA LEU 107 HA LEU 107 -8.029 -1.566 0.925 2 HB2 LEU 107 HB2 LEU 107 -9.437 0.463 2.651 3 HG LEU 107 HG LEU 107 -9.250 1.087 0.238 4 HD11 LEU 107 HD11 LEU 107 -7.600 2.676 2.199 5 HD13 LEU 107 HD12 LEU 107 -9.349 2.773 1.988 6 HD12 LEU 107 HD13 LEU 107 -8.275 3.287 0.687 7 HD22 LEU 107 HD21 LEU 107 -7.183 -0.078 -0.280 8 HD21 LEU 107 HD22 LEU 107 -6.301 0.953 0.847 9 HD23 LEU 107 HD23 LEU 107 -7.016 1.648 -0.609 10 H LEU 107 HN LEU 107 -10.697 -0.624 0.882 11 HB3 LEU 107 HB1 LEU 107 -7.708 0.180 2.662 No H/Q in entry = 11 In of MODEL 3 1 HA MET 108 HA MET 108 -9.083 -2.761 5.433 2 HB2 MET 108 HB2 MET 108 -11.092 -3.083 6.618 3 HG2 MET 108 HG2 MET 108 -12.619 -2.652 4.070 4 HE3 MET 108 HE1 MET 108 -14.500 -0.370 6.711 5 HE2 MET 108 HE2 MET 108 -13.756 -0.409 5.114 6 HE1 MET 108 HE3 MET 108 -12.755 -0.575 6.556 7 H MET 108 HN MET 108 -10.626 -1.604 3.351 8 HB3 MET 108 HB1 MET 108 -11.226 -1.557 5.763 9 HG3 MET 108 HG1 MET 108 -12.504 -4.160 4.975 No H/Q in entry = 9 In of MODEL 3 1 HA ALA 109 HA ALA 109 -10.850 -6.838 3.851 2 HB3 ALA 109 HB1 ALA 109 -11.599 -7.543 1.606 3 HB2 ALA 109 HB2 ALA 109 -11.350 -5.896 1.023 4 HB1 ALA 109 HB3 ALA 109 -12.577 -6.222 2.247 5 H ALA 109 HN ALA 109 -11.002 -4.195 2.823 No H/Q in entry = 5 In of MODEL 3 1 HA GLU 110 HA GLU 110 -7.162 -7.256 0.880 2 HB2 GLU 110 HB2 GLU 110 -6.796 -4.268 0.560 3 HG2 GLU 110 HG2 GLU 110 -7.367 -6.407 -1.480 4 H GLU 110 HN GLU 110 -8.948 -5.092 1.410 5 HB3 GLU 110 HB1 GLU 110 -5.641 -5.463 -0.005 6 HG3 GLU 110 HG1 GLU 110 -8.487 -5.157 -0.939 No H/Q in entry = 6 In of MODEL 3 1 HA LYS 111 HA LYS 111 -4.669 -4.871 4.250 2 HB2 LYS 111 HB2 LYS 111 -5.728 -2.926 4.909 3 HG2 LYS 111 HG2 LYS 111 -6.259 -4.767 7.235 4 HD2 LYS 111 HD2 LYS 111 -5.843 -1.786 7.255 5 HE2 LYS 111 HE2 LYS 111 -5.282 -2.774 9.348 6 HZ1 LYS 111 HZ1 LYS 111 -7.762 -4.341 8.985 7 HZ3 LYS 111 HZ2 LYS 111 -7.121 -4.069 10.525 8 HZ2 LYS 111 HZ3 LYS 111 -6.205 -4.887 9.367 9 H LYS 111 HN LYS 111 -7.204 -4.560 3.113 10 HB3 LYS 111 HB1 LYS 111 -7.252 -3.738 5.231 11 HG3 LYS 111 HG1 LYS 111 -4.763 -3.872 6.925 12 HD3 LYS 111 HD1 LYS 111 -7.436 -2.536 7.255 13 HE3 LYS 111 HE1 LYS 111 -6.864 -2.015 9.517 No H/Q in entry = 13 In of MODEL 3 1 HA ASP 112 HA ASP 112 -6.493 -7.655 7.496 2 HB2 ASP 112 HB2 ASP 112 -9.251 -7.545 6.373 3 H ASP 112 HN ASP 112 -7.754 -6.300 5.309 4 HB3 ASP 112 HB1 ASP 112 -8.842 -8.846 7.488 No H/Q in entry = 4 In of MODEL 3 1 HA SER 113 HA SER 113 -6.592 -11.262 4.661 2 HB2 SER 113 HB2 SER 113 -7.032 -9.714 2.103 3 HG SER 113 HG SER 113 -8.931 -9.635 3.100 4 H SER 113 HN SER 113 -6.865 -8.385 4.200 5 HB3 SER 113 HB1 SER 113 -6.994 -11.471 2.239 No H/Q in entry = 5 In of MODEL 3 1 HA LEU 114 HA LEU 114 -2.734 -9.797 2.325 2 HB2 LEU 114 HB2 LEU 114 -3.341 -7.297 2.566 3 HG LEU 114 HG LEU 114 -0.503 -8.266 2.323 4 HD13 LEU 114 HD11 LEU 114 -2.002 -8.770 0.476 5 HD12 LEU 114 HD12 LEU 114 -0.807 -7.564 -0.006 6 HD11 LEU 114 HD13 LEU 114 -2.458 -7.070 0.364 7 HD21 LEU 114 HD21 LEU 114 -0.470 -6.018 3.317 8 HD23 LEU 114 HD22 LEU 114 -1.455 -5.434 1.979 9 HD22 LEU 114 HD23 LEU 114 0.172 -6.046 1.677 10 H LEU 114 HN LEU 114 -4.693 -8.538 3.982 11 HB3 LEU 114 HB1 LEU 114 -2.269 -7.325 3.955 No H/Q in entry = 11 In of MODEL 3 1 HA ASP 115 HA ASP 115 -0.451 -11.694 5.460 2 HB2 ASP 115 HB2 ASP 115 0.379 -12.644 3.236 3 H ASP 115 HN ASP 115 -0.716 -10.516 2.873 4 HB3 ASP 115 HB1 ASP 115 1.705 -11.493 3.354 No H/Q in entry = 4 In of MODEL 3 1 HA PRO 116 HA PRO 116 1.373 -8.210 7.504 2 HB2 PRO 116 HB2 PRO 116 2.490 -9.576 9.597 3 HG2 PRO 116 HG2 PRO 116 2.149 -11.727 8.782 4 HD2 PRO 116 HD2 PRO 116 0.568 -12.195 7.133 5 HB3 PRO 116 HB1 PRO 116 0.775 -9.162 9.494 6 HG3 PRO 116 HG1 PRO 116 0.650 -11.482 9.705 7 HD3 PRO 116 HD1 PRO 116 -0.597 -11.021 7.785 No H/Q in entry = 7 In of MODEL 3 1 HA SER 117 HA SER 117 5.782 -10.131 7.049 2 HB2 SER 117 HB2 SER 117 4.977 -11.499 4.472 3 HG SER 117 HG SER 117 4.115 -12.725 6.064 4 H SER 117 HN SER 117 3.188 -10.903 6.312 5 HB3 SER 117 HB1 SER 117 6.558 -11.558 5.252 No H/Q in entry = 5 In of MODEL 3 1 HA PHE 118 HA PHE 118 5.668 -7.187 3.494 2 HB2 PHE 118 HB2 PHE 118 2.684 -7.235 2.980 3 HD1 PHE 118 HD1 PHE 118 5.125 -7.547 0.358 4 HD2 PHE 118 HD2 PHE 118 2.642 -9.712 3.043 5 HE1 PHE 118 HE1 PHE 118 5.381 -9.558 -1.030 6 HE2 PHE 118 HE2 PHE 118 2.900 -11.727 1.672 7 HZ PHE 118 HZ PHE 118 4.273 -11.658 -0.374 8 H PHE 118 HN PHE 118 3.582 -8.786 4.786 9 HB3 PHE 118 HB1 PHE 118 3.895 -6.409 2.007 No H/Q in entry = 9 In of MODEL 3 1 HA THR 119 HA THR 119 4.549 -4.727 7.086 2 HB THR 119 HB THR 119 7.266 -3.766 6.191 3 HG1 THR 119 HG1 THR 119 6.429 -5.653 8.165 4 HG23 THR 119 HG21 THR 119 7.382 -2.723 8.409 5 HG22 THR 119 HG22 THR 119 5.729 -3.245 8.739 6 HG21 THR 119 HG23 THR 119 6.044 -2.074 7.458 7 H THR 119 HN THR 119 6.254 -5.936 5.260 No H/Q in entry = 7 In of MODEL 3 1 HA HIS 120 HA HIS 120 4.878 -0.729 4.712 2 HB2 HIS 120 HB2 HIS 120 6.280 -1.798 2.268 3 HD1 HIS 120 HD1 HIS 120 6.766 0.785 5.045 4 HD2 HIS 120 HD2 HIS 120 8.872 -2.060 2.870 5 HE1 HIS 120 HE1 HIS 120 9.104 0.819 5.971 6 HE2 HIS 120 HE2 HIS 120 10.268 -1.104 4.833 7 H HIS 120 HN HIS 120 6.066 -3.273 4.190 8 HB3 HIS 120 HB1 HIS 120 5.784 -0.123 2.476 No H/Q in entry = 8 In of MODEL 3 1 HA ALA 121 HA ALA 121 2.008 -2.217 1.136 2 HB1 ALA 121 HB1 ALA 121 1.336 -4.424 0.551 3 HB3 ALA 121 HB2 ALA 121 2.181 -5.109 1.940 4 HB2 ALA 121 HB3 ALA 121 3.099 -4.405 0.610 5 H ALA 121 HN ALA 121 4.152 -3.394 2.502 No H/Q in entry = 5 In of MODEL 3 1 HA MET 122 HA MET 122 -0.650 -3.789 4.744 2 HB2 MET 122 HB2 MET 122 1.815 -4.407 6.324 3 HG2 MET 122 HG2 MET 122 0.409 -6.044 4.842 4 HE3 MET 122 HE1 MET 122 -2.014 -4.183 6.044 5 HE2 MET 122 HE2 MET 122 -3.323 -5.363 5.981 6 HE1 MET 122 HE3 MET 122 -2.175 -5.253 4.650 7 H MET 122 HN MET 122 2.140 -3.928 4.177 8 HB3 MET 122 HB1 MET 122 0.281 -4.197 7.157 9 HG3 MET 122 HG1 MET 122 1.127 -6.553 6.367 No H/Q in entry = 9 In of MODEL 3 1 HA GLN 123 HA GLN 123 0.731 -0.079 7.291 2 HB2 GLN 123 HB2 GLN 123 3.023 -0.056 7.647 3 HG2 GLN 123 HG2 GLN 123 2.737 2.278 5.777 4 HE21 GLN 123 HE21 GLN 123 4.137 2.215 8.949 5 HE22 GLN 123 HE22 GLN 123 5.772 2.496 8.451 6 H GLN 123 HN GLN 123 2.121 -1.786 5.519 7 HB3 GLN 123 HB1 GLN 123 3.391 -0.078 5.931 8 HG3 GLN 123 HG1 GLN 123 2.423 2.288 7.513 No H/Q in entry = 8 In of MODEL 3 1 HA LEU 124 HA LEU 124 0.412 2.782 3.641 2 HB2 LEU 124 HB2 LEU 124 0.732 0.666 1.503 3 HG LEU 124 HG LEU 124 2.850 1.513 2.625 4 HD12 LEU 124 HD11 LEU 124 2.489 2.037 -0.324 5 HD11 LEU 124 HD12 LEU 124 2.856 0.480 0.419 6 HD13 LEU 124 HD13 LEU 124 4.029 1.794 0.502 7 HD23 LEU 124 HD21 LEU 124 3.619 3.740 1.955 8 HD22 LEU 124 HD22 LEU 124 2.162 3.824 2.947 9 HD21 LEU 124 HD23 LEU 124 2.054 4.051 1.202 10 H LEU 124 HN LEU 124 1.472 0.200 3.837 11 HB3 LEU 124 HB1 LEU 124 0.344 2.345 1.172 No H/Q in entry = 11 In of MODEL 3 1 HA LEU 125 HA LEU 125 -3.631 0.427 2.478 2 HB2 LEU 125 HB2 LEU 125 -2.582 -1.949 3.988 3 HG LEU 125 HG LEU 125 -2.433 -1.936 1.478 4 HD11 LEU 125 HD11 LEU 125 -2.408 -3.977 2.856 5 HD13 LEU 125 HD12 LEU 125 -3.180 -4.234 1.293 6 HD12 LEU 125 HD13 LEU 125 -4.166 -4.056 2.740 7 HD21 LEU 125 HD21 LEU 125 -5.437 -2.143 1.732 8 HD23 LEU 125 HD22 LEU 125 -4.508 -2.392 0.252 9 HD22 LEU 125 HD23 LEU 125 -4.546 -0.799 1.011 10 H LEU 125 HN LEU 125 -1.064 -0.383 3.421 11 HB3 LEU 125 HB1 LEU 125 -4.310 -1.720 3.829 No H/Q in entry = 11 In of MODEL 3 1 HA THR 126 HA THR 126 -4.426 0.591 7.131 2 HB THR 126 HB THR 126 -1.529 1.122 7.827 3 HG1 THR 126 HG1 THR 126 -1.932 -1.061 7.434 4 HG22 THR 126 HG21 THR 126 -2.265 1.041 10.175 5 HG21 THR 126 HG22 THR 126 -3.942 0.963 9.637 6 HG23 THR 126 HG23 THR 126 -2.976 2.403 9.308 7 H THR 126 HN THR 126 -2.085 0.222 5.596 No H/Q in entry = 7 In of MODEL 3 1 HA ALA 127 HA ALA 127 -2.756 5.091 7.289 2 HB2 ALA 127 HB1 ALA 127 -1.288 6.279 5.771 3 HB3 ALA 127 HB2 ALA 127 -1.207 4.866 4.719 4 HB1 ALA 127 HB3 ALA 127 -0.528 4.795 6.345 5 H ALA 127 HN ALA 127 -1.884 2.780 5.995 No H/Q in entry = 5 In of MODEL 3 1 HA GLU 128 HA GLU 128 -4.859 6.154 3.122 2 HB2 GLU 128 HB2 GLU 128 -4.025 4.215 1.709 3 HG2 GLU 128 HG2 GLU 128 -5.946 4.302 0.109 4 H GLU 128 HN GLU 128 -3.432 3.911 3.985 5 HB3 GLU 128 HB1 GLU 128 -5.464 3.346 2.218 6 HG3 GLU 128 HG1 GLU 128 -6.819 5.235 1.316 No H/Q in entry = 6 In of MODEL 3 1 HA ILE 129 HA ILE 129 -8.662 3.767 4.758 2 HB ILE 129 HB ILE 129 -7.006 2.274 6.794 3 HD13 ILE 129 HD11 ILE 129 -6.788 -0.197 6.225 4 HD12 ILE 129 HD12 ILE 129 -7.724 -0.843 4.876 5 HD11 ILE 129 HD13 ILE 129 -8.541 -0.335 6.356 6 H ILE 129 HN ILE 129 -5.906 3.267 4.812 No H/Q in entry = 6 In of MODEL 3 1 HA GLU 130 HA GLU 130 -7.709 6.060 8.919 2 HB2 GLU 130 HB2 GLU 130 -4.922 6.700 7.955 3 HG2 GLU 130 HG2 GLU 130 -5.907 5.087 10.297 4 H GLU 130 HN GLU 130 -6.136 4.779 6.994 5 HB3 GLU 130 HB1 GLU 130 -5.657 7.380 9.398 6 HG3 GLU 130 HG1 GLU 130 -5.037 4.482 8.889 No H/Q in entry = 6 In of MODEL 3 1 HA LYS 131 HA LYS 131 -7.077 9.911 6.041 2 HB2 LYS 131 HB2 LYS 131 -7.018 8.221 3.533 3 HG2 LYS 131 HG2 LYS 131 -4.766 9.827 4.703 4 HD2 LYS 131 HD2 LYS 131 -5.003 8.013 2.307 5 HE2 LYS 131 HE2 LYS 131 -2.558 9.406 3.374 6 HZ3 LYS 131 HZ1 LYS 131 -1.422 8.122 1.672 7 HZ2 LYS 131 HZ2 LYS 131 -2.565 9.160 0.973 8 HZ1 LYS 131 HZ3 LYS 131 -2.905 7.502 1.115 9 H LYS 131 HN LYS 131 -6.406 7.196 5.839 10 HB3 LYS 131 HB1 LYS 131 -6.900 9.972 3.605 11 HG3 LYS 131 HG1 LYS 131 -4.897 8.068 4.796 12 HD3 LYS 131 HD1 LYS 131 -4.689 9.749 2.301 13 HE3 LYS 131 HE1 LYS 131 -2.879 7.681 3.534 No H/Q in entry = 13 In of MODEL 3 1 HA ILE 132 HA ILE 132 -11.181 8.736 4.023 2 HB ILE 132 HB ILE 132 -11.239 5.795 4.646 3 HD13 ILE 132 HD11 ILE 132 -9.850 4.887 1.270 4 HD12 ILE 132 HD12 ILE 132 -11.573 5.195 1.498 5 HD11 ILE 132 HD13 ILE 132 -10.689 4.220 2.672 6 H ILE 132 HN ILE 132 -8.908 7.170 4.733 No H/Q in entry = 6 In of MODEL 3 1 HA GLN 133 HA GLN 133 -12.851 6.817 8.102 2 HB2 GLN 133 HB2 GLN 133 -10.081 6.378 9.201 3 HG2 GLN 133 HG2 GLN 133 -10.994 4.618 7.705 4 HE21 GLN 133 HE21 GLN 133 -12.022 2.353 9.214 5 HE22 GLN 133 HE22 GLN 133 -13.747 2.526 9.213 6 H GLN 133 HN GLN 133 -10.358 6.710 6.814 7 HB3 GLN 133 HB1 GLN 133 -11.535 6.242 10.178 8 HG3 GLN 133 HG1 GLN 133 -10.650 4.083 9.347 No H/Q in entry = 8 In of MODEL 3 1 HA LYS 134 HA LYS 134 -11.010 10.485 10.513 2 HB2 LYS 134 HB2 LYS 134 -9.425 12.228 9.809 3 HG2 LYS 134 HG2 LYS 134 -8.775 10.533 7.423 4 HD2 LYS 134 HD2 LYS 134 -7.088 12.132 8.505 5 HE2 LYS 134 HE2 LYS 134 -8.666 13.994 8.850 6 HZ3 LYS 134 HZ1 LYS 134 -9.154 15.366 6.826 7 HZ2 LYS 134 HZ2 LYS 134 -10.033 13.930 6.943 8 HZ1 LYS 134 HZ3 LYS 134 -8.715 14.028 5.882 9 H LYS 134 HN LYS 134 -10.103 9.019 8.256 10 HB3 LYS 134 HB1 LYS 134 -8.687 10.633 9.776 11 HG3 LYS 134 HG1 LYS 134 -9.839 11.935 7.332 12 HD3 LYS 134 HD1 LYS 134 -7.356 12.251 6.767 13 HE3 LYS 134 HE1 LYS 134 -7.269 14.452 7.880 No H/Q in entry = 13 In of MODEL 3 1 HA3 GLY 135 HA2 GLY 135 -13.740 11.733 6.326 2 H GLY 135 HN GLY 135 -11.765 10.634 7.112 3 HA2 GLY 135 HA1 GLY 135 -13.612 12.843 7.685 4 H1 GLY 95 HT3 GLY 95 12.154 4.555 9.975 5 H2 GLY 95 HT2 GLY 95 12.308 3.782 8.475 6 H3 GLY 95 HT1 GLY 95 13.011 3.094 9.856 7 HA2 GLY 95 HA2 GLY 95 13.820 5.575 8.458 8 HA3 GLY 95 HA1 GLY 95 14.751 4.094 8.627 No H/Q in entry = 8 In of MODEL 3 1 HA ALA 96 HA ALA 96 15.024 5.997 12.839 2 HB3 ALA 96 HB1 ALA 96 13.488 4.361 13.858 3 HB2 ALA 96 HB2 ALA 96 14.944 4.600 14.824 4 HB1 ALA 96 HB3 ALA 96 14.774 3.155 13.828 5 H ALA 96 HN ALA 96 14.231 3.609 11.402 No H/Q in entry = 5 In of MODEL 3 1 HA MET 97 HA MET 97 19.082 4.115 12.166 2 HB2 MET 97 HB2 MET 97 18.813 2.499 14.002 3 HG2 MET 97 HG2 MET 97 20.563 1.348 11.842 4 HE1 MET 97 HE1 MET 97 23.171 1.135 13.559 5 HE3 MET 97 HE2 MET 97 22.630 -0.166 12.496 6 HE2 MET 97 HE3 MET 97 23.082 -0.520 14.164 7 H MET 97 HN MET 97 16.420 2.873 11.986 8 HB3 MET 97 HB1 MET 97 18.350 1.258 12.847 9 HG3 MET 97 HG1 MET 97 21.033 2.614 12.974 No H/Q in entry = 9 In of MODEL 3 1 HA GLU 98 HA GLU 98 18.349 1.154 8.491 2 HB2 GLU 98 HB2 GLU 98 15.526 2.060 8.004 3 HG2 GLU 98 HG2 GLU 98 14.937 -0.285 8.939 4 H GLU 98 HN GLU 98 16.748 2.396 10.479 5 HB3 GLU 98 HB1 GLU 98 16.344 0.631 7.394 6 HG3 GLU 98 HG1 GLU 98 16.400 -0.061 9.901 No H/Q in entry = 6 In of MODEL 3 1 HA PRO 99 HA PRO 99 19.296 4.641 5.944 2 HB2 PRO 99 HB2 PRO 99 19.553 3.331 3.547 3 HG2 PRO 99 HG2 PRO 99 18.877 1.219 4.104 4 HD2 PRO 99 HD2 PRO 99 18.316 0.699 6.246 5 HB3 PRO 99 HB1 PRO 99 20.802 3.369 4.795 6 HG3 PRO 99 HG1 PRO 99 20.542 1.092 4.692 7 HD3 PRO 99 HD1 PRO 99 19.893 1.195 6.879 No H/Q in entry = 7 In of MODEL 3 1 HA GLU 100 HA GLU 100 15.289 5.590 4.839 2 HB2 GLU 100 HB2 GLU 100 16.313 7.715 5.627 3 HG2 GLU 100 HG2 GLU 100 14.466 8.151 3.294 4 H GLU 100 HN GLU 100 18.073 6.099 5.004 5 HB3 GLU 100 HB1 GLU 100 16.783 8.064 3.969 6 HG3 GLU 100 HG1 GLU 100 13.951 7.698 4.918 No H/Q in entry = 6 In of MODEL 3 1 HA ASN 101 HA ASN 101 15.962 5.910 0.223 2 HB2 ASN 101 HB2 ASN 101 18.270 6.754 0.047 3 HD21 ASN 101 HD21 ASN 101 17.336 7.335 -1.927 4 HD22 ASN 101 HD22 ASN 101 17.503 6.350 -3.341 5 H ASN 101 HN ASN 101 17.756 5.501 2.491 6 HB3 ASN 101 HB1 ASN 101 18.889 5.120 0.264 No H/Q in entry = 6 In of MODEL 3 1 HA LYS 102 HA LYS 102 16.995 1.241 0.066 2 HB2 LYS 102 HB2 LYS 102 18.732 1.295 2.010 3 HG2 LYS 102 HG2 LYS 102 17.074 -1.164 1.497 4 HD2 LYS 102 HD2 LYS 102 19.841 -0.842 2.642 5 HE2 LYS 102 HE2 LYS 102 18.364 -3.287 1.694 6 HZ3 LYS 102 HZ1 LYS 102 20.373 -4.470 2.482 7 HZ2 LYS 102 HZ2 LYS 102 19.400 -3.867 3.730 8 HZ1 LYS 102 HZ3 LYS 102 20.837 -3.067 3.316 9 H LYS 102 HN LYS 102 17.736 3.313 1.794 10 HB3 LYS 102 HB1 LYS 102 17.377 0.760 2.997 11 HG3 LYS 102 HG1 LYS 102 18.480 -0.640 0.572 12 HD3 LYS 102 HD1 LYS 102 18.428 -1.521 3.454 13 HE3 LYS 102 HE1 LYS 102 19.884 -2.651 1.071 No H/Q in entry = 13 In of MODEL 3 1 HA TYR 103 HA TYR 103 12.896 1.291 2.585 2 HB2 TYR 103 HB2 TYR 103 12.892 3.563 3.389 3 HD1 TYR 103 HD1 TYR 103 10.998 4.960 0.809 4 HD2 TYR 103 HD2 TYR 103 10.746 2.109 3.954 5 HE1 TYR 103 HE1 TYR 103 8.552 5.194 0.807 6 HE2 TYR 103 HE2 TYR 103 8.297 2.333 3.966 7 HH TYR 103 HH TYR 103 6.578 3.956 1.497 8 H TYR 103 HN TYR 103 14.972 3.070 1.976 9 HB3 TYR 103 HB1 TYR 103 12.940 4.198 1.755 No H/Q in entry = 9 In of MODEL 3 1 HA LEU 104 HA LEU 104 11.775 2.269 -2.008 2 HB2 LEU 104 HB2 LEU 104 13.589 3.733 -2.631 3 HG LEU 104 HG LEU 104 13.517 1.492 -4.650 4 HD12 LEU 104 HD11 LEU 104 11.810 2.903 -5.759 5 HD11 LEU 104 HD12 LEU 104 11.793 3.938 -4.332 6 HD13 LEU 104 HD13 LEU 104 11.279 2.258 -4.205 7 HD23 LEU 104 HD21 LEU 104 14.143 3.287 -6.222 8 HD22 LEU 104 HD22 LEU 104 15.380 2.998 -4.999 9 HD21 LEU 104 HD23 LEU 104 14.312 4.393 -4.857 10 H LEU 104 HN LEU 104 14.066 2.595 -0.397 11 HB3 LEU 104 HB1 LEU 104 14.704 2.385 -2.701 No H/Q in entry = 11 In of MODEL 3 1 HA PRO 105 HA PRO 105 13.727 -1.939 -3.472 2 HB2 PRO 105 HB2 PRO 105 15.459 -3.127 -1.700 3 HG2 PRO 105 HG2 PRO 105 15.613 -1.341 -0.217 4 HD2 PRO 105 HD2 PRO 105 15.108 0.848 -0.848 5 HB3 PRO 105 HB1 PRO 105 15.978 -2.148 -3.080 6 HG3 PRO 105 HG1 PRO 105 16.969 -0.984 -1.309 7 HD3 PRO 105 HD1 PRO 105 15.757 0.625 -2.487 No H/Q in entry = 7 In of MODEL 3 1 HA GLU 106 HA GLU 106 12.073 -3.747 0.686 2 HB2 GLU 106 HB2 GLU 106 11.384 -0.959 1.625 3 HG2 GLU 106 HG2 GLU 106 13.725 -1.629 2.045 4 H GLU 106 HN GLU 106 13.188 -1.286 -0.037 5 HB3 GLU 106 HB1 GLU 106 10.852 -2.438 2.408 6 HG3 GLU 106 HG1 GLU 106 12.778 -1.369 3.509 No H/Q in entry = 6 In of MODEL 3 1 HA LEU 107 HA LEU 107 7.967 -1.725 -0.756 2 HB2 LEU 107 HB2 LEU 107 9.414 0.298 -2.457 3 HG LEU 107 HG LEU 107 9.232 0.899 -0.041 4 HD11 LEU 107 HD11 LEU 107 7.616 2.535 -1.992 5 HD13 LEU 107 HD12 LEU 107 9.366 2.597 -1.778 6 HD12 LEU 107 HD13 LEU 107 8.298 3.122 -0.476 7 HD22 LEU 107 HD21 LEU 107 7.140 -0.233 0.460 8 HD21 LEU 107 HD22 LEU 107 6.283 0.827 -0.661 9 HD23 LEU 107 HD23 LEU 107 7.005 1.492 0.805 10 H LEU 107 HN LEU 107 10.648 -0.831 -0.694 11 HB3 LEU 107 HB1 LEU 107 7.682 0.047 -2.477 No H/Q in entry = 11 In of MODEL 3 1 HA MET 108 HA MET 108 8.999 -2.895 -5.279 2 HB2 MET 108 HB2 MET 108 11.001 -3.241 -6.465 3 HG2 MET 108 HG2 MET 108 12.534 -2.864 -3.909 4 HE3 MET 108 HE1 MET 108 14.464 -0.594 -6.525 5 HE2 MET 108 HE2 MET 108 13.716 -0.633 -4.929 6 HE1 MET 108 HE3 MET 108 12.715 -0.767 -6.375 7 H MET 108 HN MET 108 10.563 -1.784 -3.182 8 HB3 MET 108 HB1 MET 108 11.164 -1.727 -5.593 9 HG3 MET 108 HG1 MET 108 12.392 -4.361 -4.827 No H/Q in entry = 9 In of MODEL 3 1 HA ALA 109 HA ALA 109 10.688 -7.016 -3.737 2 HB2 ALA 109 HB1 ALA 109 11.421 -7.754 -1.500 3 HB3 ALA 109 HB2 ALA 109 11.199 -6.108 -0.898 4 HB1 ALA 109 HB3 ALA 109 12.420 -6.443 -2.127 5 H ALA 109 HN ALA 109 10.891 -4.388 -2.683 No H/Q in entry = 5 In of MODEL 3 1 HA GLU 110 HA GLU 110 6.991 -7.398 -0.772 2 HB2 GLU 110 HB2 GLU 110 6.689 -4.407 -0.420 3 HG2 GLU 110 HG2 GLU 110 7.219 -6.574 1.600 4 H GLU 110 HN GLU 110 8.817 -5.264 -1.276 5 HB3 GLU 110 HB1 GLU 110 5.510 -5.584 0.135 6 HG3 GLU 110 HG1 GLU 110 8.360 -5.338 1.076 No H/Q in entry = 6 In of MODEL 3 1 HA LYS 111 HA LYS 111 4.545 -4.930 -4.116 2 HB2 LYS 111 HB2 LYS 111 5.642 -2.994 -4.752 3 HG2 LYS 111 HG2 LYS 111 6.138 -4.821 -7.095 4 HD2 LYS 111 HD2 LYS 111 5.777 -1.836 -7.093 5 HE2 LYS 111 HE2 LYS 111 5.204 -2.791 -9.197 6 HZ1 LYS 111 HZ1 LYS 111 7.644 -4.426 -8.835 7 HZ3 LYS 111 HZ2 LYS 111 7.014 -4.118 -10.378 8 HZ2 LYS 111 HZ3 LYS 111 6.072 -4.920 -9.226 9 H LYS 111 HN LYS 111 7.088 -4.681 -2.976 10 HB3 LYS 111 HB1 LYS 111 7.149 -3.832 -5.085 11 HG3 LYS 111 HG1 LYS 111 4.659 -3.903 -6.777 12 HD3 LYS 111 HD1 LYS 111 7.356 -2.613 -7.096 13 HE3 LYS 111 HE1 LYS 111 6.805 -2.070 -9.353 No H/Q in entry = 13 In of MODEL 3 1 HA ASP 112 HA ASP 112 6.325 -7.703 -7.395 2 HB2 ASP 112 HB2 ASP 112 9.078 -7.657 -6.259 3 H ASP 112 HN ASP 112 7.602 -6.408 -5.184 4 HB3 ASP 112 HB1 ASP 112 8.654 -8.945 -7.381 No H/Q in entry = 4 In of MODEL 3 1 HA SER 113 HA SER 113 6.348 -11.350 -4.596 2 HB2 SER 113 HB2 SER 113 6.831 -9.848 -2.015 3 HG SER 113 HG SER 113 8.730 -9.801 -3.025 4 H SER 113 HN SER 113 6.683 -8.485 -4.101 5 HB3 SER 113 HB1 SER 113 6.753 -11.600 -2.176 No H/Q in entry = 5 In of MODEL 3 1 HA LEU 114 HA LEU 114 2.518 -9.840 -2.245 2 HB2 LEU 114 HB2 LEU 114 3.170 -7.349 -2.461 3 HG LEU 114 HG LEU 114 0.313 -8.269 -2.232 4 HD13 LEU 114 HD11 LEU 114 1.805 -8.820 -0.389 5 HD12 LEU 114 HD12 LEU 114 0.630 -7.600 0.109 6 HD11 LEU 114 HD13 LEU 114 2.289 -7.128 -0.256 7 HD21 LEU 114 HD21 LEU 114 0.322 -6.010 -3.207 8 HD23 LEU 114 HD22 LEU 114 1.315 -5.454 -1.861 9 HD22 LEU 114 HD23 LEU 114 -0.322 -6.037 -1.567 10 H LEU 114 HN LEU 114 4.504 -8.604 -3.892 11 HB3 LEU 114 HB1 LEU 114 2.101 -7.341 -3.852 No H/Q in entry = 11 In of MODEL 3 1 HA ASP 115 HA ASP 115 0.209 -11.659 -5.408 2 HB2 ASP 115 HB2 ASP 115 -0.641 -12.627 -3.196 3 H ASP 115 HN ASP 115 0.485 -10.520 -2.802 4 HB3 ASP 115 HB1 ASP 115 -1.952 -11.457 -3.307 No H/Q in entry = 4 In of MODEL 3 1 HA PRO 116 HA PRO 116 -1.551 -8.124 -7.412 2 HB2 PRO 116 HB2 PRO 116 -2.688 -9.449 -9.523 3 HG2 PRO 116 HG2 PRO 116 -2.389 -11.611 -8.729 4 HD2 PRO 116 HD2 PRO 116 -0.823 -12.126 -7.082 5 HB3 PRO 116 HB1 PRO 116 -0.965 -9.066 -9.412 6 HG3 PRO 116 HG1 PRO 116 -0.882 -11.385 -9.643 7 HD3 PRO 116 HD1 PRO 116 0.365 -10.965 -7.716 No H/Q in entry = 7 In of MODEL 3 1 HA SER 117 HA SER 117 -5.997 -9.970 -6.982 2 HB2 SER 117 HB2 SER 117 -5.212 -11.384 -4.424 3 HG SER 117 HG SER 117 -4.400 -12.607 -6.053 4 H SER 117 HN SER 117 -3.420 -10.797 -6.254 5 HB3 SER 117 HB1 SER 117 -6.803 -11.391 -5.187 No H/Q in entry = 5 In of MODEL 3 1 HA PHE 118 HA PHE 118 -5.832 -7.062 -3.399 2 HB2 PHE 118 HB2 PHE 118 -2.851 -7.166 -2.872 3 HD1 PHE 118 HD1 PHE 118 -5.302 -7.465 -0.260 4 HD2 PHE 118 HD2 PHE 118 -2.858 -9.648 -2.969 5 HE1 PHE 118 HE1 PHE 118 -5.596 -9.482 1.105 6 HE2 PHE 118 HE2 PHE 118 -3.154 -11.671 -1.615 7 HZ PHE 118 HZ PHE 118 -4.527 -11.597 0.432 8 H PHE 118 HN PHE 118 -3.772 -8.680 -4.706 9 HB3 PHE 118 HB1 PHE 118 -4.054 -6.333 -1.896 No H/Q in entry = 9 In of MODEL 3 1 HA THR 119 HA THR 119 -4.661 -4.590 -6.962 2 HB THR 119 HB THR 119 -7.375 -3.606 -6.076 3 HG1 THR 119 HG1 THR 119 -6.513 -5.491 -8.025 4 HG23 THR 119 HG21 THR 119 -7.461 -2.518 -8.270 5 HG22 THR 119 HG22 THR 119 -5.816 -3.060 -8.606 6 HG21 THR 119 HG23 THR 119 -6.115 -1.904 -7.307 7 H THR 119 HN THR 119 -6.396 -5.786 -5.154 No H/Q in entry = 7 In of MODEL 3 1 HA HIS 120 HA HIS 120 -4.924 -0.612 -4.555 2 HB2 HIS 120 HB2 HIS 120 -6.346 -1.674 -2.117 3 HD1 HIS 120 HD1 HIS 120 -6.777 0.951 -4.862 4 HD2 HIS 120 HD2 HIS 120 -8.946 -1.889 -2.735 5 HE1 HIS 120 HE1 HIS 120 -9.106 1.027 -5.807 6 HE2 HIS 120 HE2 HIS 120 -10.346 -0.837 -4.651 7 H HIS 120 HN HIS 120 -6.157 -3.138 -4.056 8 HB3 HIS 120 HB1 HIS 120 -5.821 -0.007 -2.316 No H/Q in entry = 8 In of MODEL 3 1 HA ALA 121 HA ALA 121 -2.081 -2.187 -0.992 2 HB3 ALA 121 HB1 ALA 121 -1.448 -4.417 -0.422 3 HB2 ALA 121 HB2 ALA 121 -2.311 -5.073 -1.814 4 HB1 ALA 121 HB3 ALA 121 -3.211 -4.357 -0.476 5 H ALA 121 HN ALA 121 -4.245 -3.313 -2.369 No H/Q in entry = 5 In of MODEL 3 1 HA MET 122 HA MET 122 0.546 -3.773 -4.608 2 HB2 MET 122 HB2 MET 122 -1.928 -4.328 -6.198 3 HG2 MET 122 HG2 MET 122 -0.547 -6.005 -4.730 4 HE3 MET 122 HE1 MET 122 1.906 -4.175 -5.907 5 HE2 MET 122 HE2 MET 122 3.192 -5.379 -5.858 6 HE1 MET 122 HE3 MET 122 2.039 -5.264 -4.526 7 H MET 122 HN MET 122 -2.245 -3.860 -4.048 8 HB3 MET 122 HB1 MET 122 -0.387 -4.136 -7.023 9 HG3 MET 122 HG1 MET 122 -1.278 -6.487 -6.260 No H/Q in entry = 9 In of MODEL 3 1 HA GLN 123 HA GLN 123 -0.761 -0.009 -7.126 2 HB2 GLN 123 HB2 GLN 123 -3.059 0.059 -7.473 3 HG2 GLN 123 HG2 GLN 123 -2.734 2.368 -5.577 4 HE21 GLN 123 HE21 GLN 123 -4.132 2.374 -8.751 5 HE22 GLN 123 HE22 GLN 123 -5.759 2.679 -8.256 6 H GLN 123 HN GLN 123 -2.181 -1.709 -5.363 7 HB3 GLN 123 HB1 GLN 123 -3.419 0.024 -5.758 8 HG3 GLN 123 HG1 GLN 123 -2.413 2.395 -7.311 No H/Q in entry = 8 In of MODEL 3 1 HA LEU 124 HA LEU 124 -0.392 2.801 -3.440 2 HB2 LEU 124 HB2 LEU 124 -0.753 0.676 -1.319 3 HG LEU 124 HG LEU 124 -2.855 1.572 -2.437 4 HD11 LEU 124 HD11 LEU 124 -2.490 2.059 0.515 5 HD13 LEU 124 HD12 LEU 124 -2.890 0.517 -0.245 6 HD12 LEU 124 HD13 LEU 124 -4.033 1.859 -0.317 7 HD23 LEU 124 HD21 LEU 124 -3.585 3.803 -1.742 8 HD22 LEU 124 HD22 LEU 124 -2.130 3.873 -2.736 9 HD21 LEU 124 HD23 LEU 124 -2.015 4.080 -0.988 10 H LEU 124 HN LEU 124 -1.499 0.240 -3.666 11 HB3 LEU 124 HB1 LEU 124 -0.336 2.345 -0.976 No H/Q in entry = 11 In of MODEL 3 1 HA LEU 125 HA LEU 125 3.610 0.366 -2.299 2 HB2 LEU 125 HB2 LEU 125 2.513 -1.975 -3.834 3 HG LEU 125 HG LEU 125 2.360 -1.985 -1.321 4 HD11 LEU 125 HD11 LEU 125 2.305 -4.010 -2.721 5 HD13 LEU 125 HD12 LEU 125 3.072 -4.299 -1.162 6 HD12 LEU 125 HD13 LEU 125 4.061 -4.115 -2.606 7 HD21 LEU 125 HD21 LEU 125 5.357 -2.249 -1.578 8 HD23 LEU 125 HD22 LEU 125 4.425 -2.487 -0.099 9 HD22 LEU 125 HD23 LEU 125 4.495 -0.891 -0.850 10 H LEU 125 HN LEU 125 1.027 -0.390 -3.245 11 HB3 LEU 125 HB1 LEU 125 4.244 -1.781 -3.669 No H/Q in entry = 11 In of MODEL 3 1 HA THR 126 HA THR 126 4.409 0.557 -6.948 2 HB THR 126 HB THR 126 1.527 1.159 -7.640 3 HG1 THR 126 HG1 THR 126 1.889 -1.038 -7.248 4 HG22 THR 126 HG21 THR 126 2.261 1.076 -9.989 5 HG21 THR 126 HG22 THR 126 3.937 0.959 -9.450 6 HG23 THR 126 HG23 THR 126 2.999 2.415 -9.111 7 H THR 126 HN THR 126 2.059 0.220 -5.422 No H/Q in entry = 7 In of MODEL 3 1 HA ALA 127 HA ALA 127 2.823 5.092 -7.061 2 HB2 ALA 127 HB1 ALA 127 1.374 6.293 -5.536 3 HB1 ALA 127 HB2 ALA 127 1.260 4.871 -4.498 4 HB3 ALA 127 HB3 ALA 127 0.588 4.828 -6.129 5 H ALA 127 HN ALA 127 1.907 2.779 -5.797 No H/Q in entry = 5 In of MODEL 3 1 HA GLU 128 HA GLU 128 4.939 6.079 -2.883 2 HB2 GLU 128 HB2 GLU 128 4.066 4.143 -1.486 3 HG2 GLU 128 HG2 GLU 128 5.984 4.183 0.117 4 H GLU 128 HN GLU 128 3.469 3.871 -3.766 5 HB3 GLU 128 HB1 GLU 128 5.489 3.253 -2.004 6 HG3 GLU 128 HG1 GLU 128 6.884 5.103 -1.081 No H/Q in entry = 6 In of MODEL 3 1 HA ILE 129 HA ILE 129 8.694 3.636 -4.537 2 HB ILE 129 HB ILE 129 7.016 2.194 -6.591 3 HD13 ILE 129 HD11 ILE 129 6.754 -0.279 -6.045 4 HD12 ILE 129 HD12 ILE 129 7.677 -0.955 -4.702 5 HD11 ILE 129 HD13 ILE 129 8.505 -0.444 -6.174 6 H ILE 129 HN ILE 129 5.930 3.186 -4.596 No H/Q in entry = 6 In of MODEL 3 1 HA GLU 130 HA GLU 130 7.789 5.991 -8.676 2 HB2 GLU 130 HB2 GLU 130 5.012 6.667 -7.704 3 HG2 GLU 130 HG2 GLU 130 5.966 5.072 -10.070 4 H GLU 130 HN GLU 130 6.188 4.716 -6.769 5 HB3 GLU 130 HB1 GLU 130 5.759 7.353 -9.138 6 HG3 GLU 130 HG1 GLU 130 5.094 4.460 -8.665 No H/Q in entry = 6 In of MODEL 3 1 HA LYS 131 HA LYS 131 7.232 9.817 -5.761 2 HB2 LYS 131 HB2 LYS 131 7.135 8.108 -3.268 3 HG2 LYS 131 HG2 LYS 131 4.910 9.764 -4.429 4 HD2 LYS 131 HD2 LYS 131 5.111 7.921 -2.050 5 HE2 LYS 131 HE2 LYS 131 2.686 9.360 -3.108 6 HZ3 LYS 131 HZ1 LYS 131 1.536 8.103 -1.391 7 HZ2 LYS 131 HZ2 LYS 131 2.713 9.117 -0.710 8 HZ1 LYS 131 HZ3 LYS 131 3.011 7.451 -0.850 9 H LYS 131 HN LYS 131 6.508 7.113 -5.583 10 HB3 LYS 131 HB1 LYS 131 7.047 9.862 -3.329 11 HG3 LYS 131 HG1 LYS 131 5.011 8.003 -4.538 12 HD3 LYS 131 HD1 LYS 131 4.826 9.662 -2.027 13 HE3 LYS 131 HE1 LYS 131 2.980 7.628 -3.267 No H/Q in entry = 13 In of MODEL 3 1 HA ILE 132 HA ILE 132 11.308 8.546 -3.752 2 HB ILE 132 HB ILE 132 11.311 5.612 -4.401 3 HD13 ILE 132 HD11 ILE 132 9.906 4.696 -1.036 4 HD12 ILE 132 HD12 ILE 132 11.635 4.978 -1.261 5 HD11 ILE 132 HD13 ILE 132 10.734 4.031 -2.445 6 H ILE 132 HN ILE 132 9.012 7.026 -4.483 No H/Q in entry = 6 In of MODEL 3 1 HA GLN 133 HA GLN 133 12.946 6.636 -7.845 2 HB2 GLN 133 HB2 GLN 133 10.168 6.268 -8.953 3 HG2 GLN 133 HG2 GLN 133 11.050 4.481 -7.467 4 HE21 GLN 133 HE21 GLN 133 12.034 2.200 -9.003 5 HE22 GLN 133 HE22 GLN 133 13.759 2.339 -8.999 6 H GLN 133 HN GLN 133 10.446 6.575 -6.565 7 HB3 GLN 133 HB1 GLN 133 11.620 6.108 -9.930 8 HG3 GLN 133 HG1 GLN 133 10.684 3.960 -9.109 No H/Q in entry = 8 In of MODEL 3 1 HA LYS 134 HA LYS 134 11.179 10.362 -10.220 2 HB2 LYS 134 HB2 LYS 134 9.624 12.129 -9.506 3 HG2 LYS 134 HG2 LYS 134 8.940 10.425 -7.135 4 HD2 LYS 134 HD2 LYS 134 7.287 12.068 -8.207 5 HE2 LYS 134 HE2 LYS 134 8.905 13.903 -8.521 6 HZ3 LYS 134 HZ1 LYS 134 9.394 15.243 -6.465 7 HZ2 LYS 134 HZ2 LYS 134 10.268 13.803 -6.608 8 HZ1 LYS 134 HZ3 LYS 134 8.942 13.888 -5.552 9 H LYS 134 HN LYS 134 10.245 8.896 -7.971 10 HB3 LYS 134 HB1 LYS 134 8.855 10.547 -9.487 11 HG3 LYS 134 HG1 LYS 134 10.031 11.807 -7.033 12 HD3 LYS 134 HD1 LYS 134 7.554 12.158 -6.465 13 HE3 LYS 134 HE1 LYS 134 7.512 14.375 -7.552 No H/Q in entry = 13 In of MODEL 3 1 HA3 GLY 135 HA2 GLY 135 13.926 11.528 -6.021 2 H GLY 135 HN GLY 135 11.941 10.471 -6.821 3 HA2 GLY 135 HA1 GLY 135 13.817 12.663 -7.362 No H/Q in entry = 3 In of MODEL 4 1 H1 GLY 95 HT1 GLY 95 -14.244 4.649 -11.899 2 H2 GLY 95 HT3 GLY 95 -14.064 3.719 -10.491 3 H3 GLY 95 HT2 GLY 95 -15.207 3.270 -11.658 4 HA3 GLY 95 HA1 GLY 95 -16.328 4.287 -9.820 5 HA2 GLY 95 HA2 GLY 95 -15.275 5.688 -9.945 No H/Q in entry = 5 In of MODEL 4 1 HA ALA 96 HA ALA 96 -17.930 6.310 -13.631 2 HB3 ALA 96 HB1 ALA 96 -18.868 4.874 -15.391 3 HB1 ALA 96 HB2 ALA 96 -18.383 3.448 -14.476 4 HB2 ALA 96 HB3 ALA 96 -17.158 4.543 -15.118 5 H ALA 96 HN ALA 96 -16.961 3.824 -12.494 No H/Q in entry = 5 In of MODEL 4 1 HA MET 97 HA MET 97 -21.513 5.020 -11.190 2 HB2 MET 97 HB2 MET 97 -21.645 2.320 -12.500 3 HG2 MET 97 HG2 MET 97 -22.252 4.306 -13.822 4 HE1 MET 97 HE1 MET 97 -23.892 6.238 -14.568 5 HE3 MET 97 HE2 MET 97 -25.311 6.733 -13.647 6 HE2 MET 97 HE3 MET 97 -25.260 5.138 -14.398 7 H MET 97 HN MET 97 -19.291 3.380 -12.204 8 HB3 MET 97 HB1 MET 97 -22.841 2.781 -11.298 9 HG3 MET 97 HG1 MET 97 -23.594 3.183 -13.599 No H/Q in entry = 9 In of MODEL 4 1 HA GLU 98 HA GLU 98 -19.660 1.757 -8.254 2 HB2 GLU 98 HB2 GLU 98 -16.863 2.601 -9.013 3 HG2 GLU 98 HG2 GLU 98 -16.721 0.214 -9.947 4 H GLU 98 HN GLU 98 -18.916 3.095 -10.647 5 HB3 GLU 98 HB1 GLU 98 -17.338 1.256 -7.988 6 HG3 GLU 98 HG1 GLU 98 -18.472 0.338 -10.115 No H/Q in entry = 6 In of MODEL 4 1 HA PRO 99 HA PRO 99 -19.537 5.321 -5.626 2 HB2 PRO 99 HB2 PRO 99 -19.620 4.020 -3.243 3 HG2 PRO 99 HG2 PRO 99 -19.282 1.842 -3.915 4 HD2 PRO 99 HD2 PRO 99 -19.266 1.278 -6.126 5 HB3 PRO 99 HB1 PRO 99 -21.034 4.226 -4.282 6 HG3 PRO 99 HG1 PRO 99 -21.038 1.923 -4.139 7 HD3 PRO 99 HD1 PRO 99 -20.858 2.000 -6.420 No H/Q in entry = 7 In of MODEL 4 1 HA GLU 100 HA GLU 100 -15.206 5.423 -5.076 2 HB2 GLU 100 HB2 GLU 100 -16.116 8.159 -4.173 3 HG2 GLU 100 HG2 GLU 100 -15.076 8.651 -6.569 4 H GLU 100 HN GLU 100 -17.809 6.476 -5.208 5 HB3 GLU 100 HB1 GLU 100 -14.480 7.696 -4.618 6 HG3 GLU 100 HG1 GLU 100 -15.726 7.042 -6.883 No H/Q in entry = 6 In of MODEL 4 1 HA ASN 101 HA ASN 101 -15.806 6.182 -0.375 2 HB2 ASN 101 HB2 ASN 101 -18.172 6.980 -0.366 3 HD21 ASN 101 HD21 ASN 101 -15.994 6.542 1.424 4 HD22 ASN 101 HD22 ASN 101 -16.669 6.158 2.970 5 H ASN 101 HN ASN 101 -17.541 6.037 -2.656 6 HB3 ASN 101 HB1 ASN 101 -18.704 5.305 -0.460 No H/Q in entry = 6 In of MODEL 4 1 HA LYS 102 HA LYS 102 -16.981 1.466 -0.324 2 HB2 LYS 102 HB2 LYS 102 -18.514 1.416 -2.276 3 HG2 LYS 102 HG2 LYS 102 -16.466 -0.780 -2.423 4 HD2 LYS 102 HD2 LYS 102 -19.410 -0.663 -3.041 5 HE2 LYS 102 HE2 LYS 102 -18.721 -2.720 -1.817 6 HZ1 LYS 102 HZ1 LYS 102 -16.457 -2.920 -2.647 7 HZ3 LYS 102 HZ2 LYS 102 -17.042 -3.202 -4.215 8 HZ2 LYS 102 HZ3 LYS 102 -17.347 -4.319 -2.987 9 H LYS 102 HN LYS 102 -17.558 3.589 -1.992 10 HB3 LYS 102 HB1 LYS 102 -17.111 1.339 -3.333 11 HG3 LYS 102 HG1 LYS 102 -17.729 -0.682 -1.197 12 HD3 LYS 102 HD1 LYS 102 -18.087 -0.963 -4.173 13 HE3 LYS 102 HE1 LYS 102 -19.325 -3.013 -3.449 No H/Q in entry = 13 In of MODEL 4 1 HA TYR 103 HA TYR 103 -12.690 1.397 -2.529 2 HB2 TYR 103 HB2 TYR 103 -12.544 3.618 -3.440 3 HD1 TYR 103 HD1 TYR 103 -10.626 5.120 -0.993 4 HD2 TYR 103 HD2 TYR 103 -10.494 1.898 -3.756 5 HE1 TYR 103 HE1 TYR 103 -8.172 5.183 -0.918 6 HE2 TYR 103 HE2 TYR 103 -8.035 1.946 -3.703 7 HH TYR 103 HH TYR 103 -6.275 3.834 -1.412 8 H TYR 103 HN TYR 103 -14.705 3.291 -2.056 9 HB3 TYR 103 HB1 TYR 103 -12.591 4.340 -1.841 No H/Q in entry = 9 In of MODEL 4 1 HA LEU 104 HA LEU 104 -11.587 2.497 2.008 2 HB2 LEU 104 HB2 LEU 104 -13.277 4.136 2.544 3 HG LEU 104 HG LEU 104 -13.411 2.012 4.682 4 HD13 LEU 104 HD11 LEU 104 -11.100 2.531 4.153 5 HD12 LEU 104 HD12 LEU 104 -11.543 3.238 5.709 6 HD11 LEU 104 HD13 LEU 104 -11.442 4.257 4.273 7 HD21 LEU 104 HD21 LEU 104 -13.879 4.988 4.732 8 HD23 LEU 104 HD22 LEU 104 -13.837 3.940 6.152 9 HD22 LEU 104 HD23 LEU 104 -15.098 3.730 4.935 10 H LEU 104 HN LEU 104 -13.855 2.900 0.376 11 HB3 LEU 104 HB1 LEU 104 -14.498 2.889 2.683 No H/Q in entry = 11 In of MODEL 4 1 HA PRO 105 HA PRO 105 -13.863 -1.494 3.640 2 HB2 PRO 105 HB2 PRO 105 -15.668 -2.600 1.891 3 HG2 PRO 105 HG2 PRO 105 -15.688 -0.852 0.361 4 HD2 PRO 105 HD2 PRO 105 -15.033 1.316 0.928 5 HB3 PRO 105 HB1 PRO 105 -16.121 -1.553 3.243 6 HG3 PRO 105 HG1 PRO 105 -17.022 -0.371 1.434 7 HD3 PRO 105 HD1 PRO 105 -15.694 1.181 2.574 No H/Q in entry = 7 In of MODEL 4 1 HA GLU 106 HA GLU 106 -12.325 -3.549 -0.447 2 HB2 GLU 106 HB2 GLU 106 -11.431 -0.868 -1.503 3 HG2 GLU 106 HG2 GLU 106 -13.775 -1.122 -1.927 4 H GLU 106 HN GLU 106 -13.288 -0.996 0.188 5 HB3 GLU 106 HB1 GLU 106 -11.082 -2.419 -2.243 6 HG3 GLU 106 HG1 GLU 106 -12.871 -1.347 -3.421 No H/Q in entry = 6 In of MODEL 4 1 HA LEU 107 HA LEU 107 -8.092 -1.665 0.877 2 HB2 LEU 107 HB2 LEU 107 -9.414 0.453 2.571 3 HG LEU 107 HG LEU 107 -9.273 0.951 0.095 4 HD13 LEU 107 HD11 LEU 107 -9.460 2.689 1.778 5 HD12 LEU 107 HD12 LEU 107 -8.364 3.198 0.493 6 HD11 LEU 107 HD13 LEU 107 -7.715 2.649 2.038 7 HD23 LEU 107 HD21 LEU 107 -6.323 0.965 0.729 8 HD22 LEU 107 HD22 LEU 107 -7.061 1.525 -0.774 9 HD21 LEU 107 HD23 LEU 107 -7.149 -0.180 -0.328 10 H LEU 107 HN LEU 107 -10.747 -0.674 0.858 11 HB3 LEU 107 HB1 LEU 107 -7.692 0.143 2.524 No H/Q in entry = 11 In of MODEL 4 1 HA MET 108 HA MET 108 -9.059 -2.692 5.453 2 HB2 MET 108 HB2 MET 108 -11.074 -2.976 6.660 3 HG2 MET 108 HG2 MET 108 -12.607 -2.348 4.155 4 HE3 MET 108 HE1 MET 108 -14.426 -0.192 6.901 5 HE2 MET 108 HE2 MET 108 -13.713 -0.184 5.289 6 HE1 MET 108 HE3 MET 108 -12.687 -0.404 6.706 7 H MET 108 HN MET 108 -10.620 -1.551 3.362 8 HB3 MET 108 HB1 MET 108 -11.118 -1.422 5.844 9 HG3 MET 108 HG1 MET 108 -12.533 -3.923 4.941 No H/Q in entry = 9 In of MODEL 4 1 HA ALA 109 HA ALA 109 -10.931 -6.760 3.975 2 HB1 ALA 109 HB1 ALA 109 -12.626 -6.105 2.328 3 HB3 ALA 109 HB2 ALA 109 -11.712 -7.507 1.775 4 HB2 ALA 109 HB3 ALA 109 -11.369 -5.912 1.105 5 H ALA 109 HN ALA 109 -11.025 -4.136 2.888 No H/Q in entry = 5 In of MODEL 4 1 HA GLU 110 HA GLU 110 -7.220 -7.329 1.051 2 HB2 GLU 110 HB2 GLU 110 -6.834 -4.359 0.631 3 HG2 GLU 110 HG2 GLU 110 -7.328 -6.585 -1.333 4 H GLU 110 HN GLU 110 -8.980 -5.122 1.496 5 HB3 GLU 110 HB1 GLU 110 -5.650 -5.567 0.156 6 HG3 GLU 110 HG1 GLU 110 -8.458 -5.304 -0.895 No H/Q in entry = 6 In of MODEL 4 1 HA LYS 111 HA LYS 111 -4.715 -4.906 4.357 2 HB2 LYS 111 HB2 LYS 111 -5.808 -2.889 4.814 3 HG2 LYS 111 HG2 LYS 111 -6.144 -4.454 7.360 4 HD2 LYS 111 HD2 LYS 111 -5.797 -1.497 6.902 5 HE2 LYS 111 HE2 LYS 111 -4.861 -2.278 9.022 6 HZ1 LYS 111 HZ1 LYS 111 -6.249 -4.237 9.369 7 HZ3 LYS 111 HZ2 LYS 111 -7.604 -3.251 9.614 8 HZ2 LYS 111 HZ3 LYS 111 -6.307 -3.196 10.704 9 H LYS 111 HN LYS 111 -7.254 -4.583 3.220 10 HB3 LYS 111 HB1 LYS 111 -7.279 -3.693 5.332 11 HG3 LYS 111 HG1 LYS 111 -4.670 -3.629 6.841 12 HD3 LYS 111 HD1 LYS 111 -7.329 -2.279 7.288 13 HE3 LYS 111 HE1 LYS 111 -6.288 -1.267 9.253 No H/Q in entry = 13 In of MODEL 4 1 HA ASP 112 HA ASP 112 -6.811 -7.615 7.628 2 HB2 ASP 112 HB2 ASP 112 -9.203 -7.003 7.323 3 H ASP 112 HN ASP 112 -7.847 -6.243 5.373 4 HB3 ASP 112 HB1 ASP 112 -9.327 -8.227 6.065 No H/Q in entry = 4 In of MODEL 4 1 HA SER 113 HA SER 113 -6.624 -11.266 4.769 2 HB2 SER 113 HB2 SER 113 -6.989 -9.797 2.153 3 HG SER 113 HG SER 113 -8.887 -9.597 3.179 4 H SER 113 HN SER 113 -7.011 -8.425 4.253 5 HB3 SER 113 HB1 SER 113 -7.020 -11.545 2.375 No H/Q in entry = 5 In of MODEL 4 1 HB2 LEU 114 HB2 LEU 114 -3.386 -7.333 2.541 2 HG LEU 114 HG LEU 114 -0.532 -8.266 2.388 3 HD13 LEU 114 HD11 LEU 114 -1.996 -8.771 0.502 4 HD12 LEU 114 HD12 LEU 114 -0.773 -7.583 0.049 5 HD11 LEU 114 HD13 LEU 114 -2.428 -7.066 0.368 6 HD23 LEU 114 HD21 LEU 114 -1.465 -5.440 1.970 7 HD22 LEU 114 HD22 LEU 114 0.179 -6.058 1.810 8 HD21 LEU 114 HD23 LEU 114 -0.594 -6.001 3.394 9 H LEU 114 HN LEU 114 -4.749 -8.527 3.957 10 HB3 LEU 114 HB1 LEU 114 -2.356 -7.298 3.960 No H/Q in entry = 10 In of MODEL 4 1 HA ASP 115 HA ASP 115 -0.565 -11.649 5.624 2 HB2 ASP 115 HB2 ASP 115 0.204 -12.811 3.524 3 H ASP 115 HN ASP 115 -0.767 -10.589 2.978 4 HB3 ASP 115 HB1 ASP 115 1.548 -11.675 3.461 No H/Q in entry = 4 In of MODEL 4 1 HA PRO 116 HA PRO 116 1.436 -8.263 7.583 2 HB2 PRO 116 HB2 PRO 116 2.621 -9.626 9.639 3 HG2 PRO 116 HG2 PRO 116 2.273 -11.780 8.832 4 HD2 PRO 116 HD2 PRO 116 0.657 -12.257 7.226 5 HB3 PRO 116 HB1 PRO 116 0.899 -9.227 9.587 6 HG3 PRO 116 HG1 PRO 116 0.800 -11.549 9.797 7 HD3 PRO 116 HD1 PRO 116 -0.506 -11.110 7.922 No H/Q in entry = 7 In of MODEL 4 1 HA SER 117 HA SER 117 5.835 -10.128 7.018 2 HB2 SER 117 HB2 SER 117 5.204 -12.363 6.040 3 HG SER 117 HG SER 117 7.422 -11.280 5.968 4 H SER 117 HN SER 117 3.235 -10.948 6.320 5 HB3 SER 117 HB1 SER 117 5.049 -11.567 4.475 No H/Q in entry = 5 In of MODEL 4 1 HA PHE 118 HA PHE 118 5.600 -7.262 3.423 2 HB2 PHE 118 HB2 PHE 118 2.613 -7.375 2.929 3 HD1 PHE 118 HD1 PHE 118 2.636 -9.858 3.002 4 HD2 PHE 118 HD2 PHE 118 5.028 -7.630 0.286 5 HE1 PHE 118 HE1 PHE 118 2.924 -11.863 1.624 6 HE2 PHE 118 HE2 PHE 118 5.317 -9.628 -1.106 7 HZ PHE 118 HZ PHE 118 4.270 -11.758 -0.442 8 H PHE 118 HN PHE 118 3.566 -8.911 4.728 9 HB3 PHE 118 HB1 PHE 118 3.798 -6.524 1.947 No H/Q in entry = 9 In of MODEL 4 1 HA THR 119 HA THR 119 4.324 -4.870 6.995 2 HB THR 119 HB THR 119 7.169 -4.080 6.373 3 HG1 THR 119 HG1 THR 119 6.004 -6.123 7.773 4 HG23 THR 119 HG21 THR 119 5.977 -2.251 7.463 5 HG22 THR 119 HG22 THR 119 7.139 -2.983 8.569 6 HG21 THR 119 HG23 THR 119 5.421 -3.350 8.729 7 H THR 119 HN THR 119 6.160 -6.026 5.221 No H/Q in entry = 7 In of MODEL 4 1 HA HIS 120 HA HIS 120 5.012 -0.859 4.676 2 HB2 HIS 120 HB2 HIS 120 6.339 -2.053 2.245 3 HD1 HIS 120 HD1 HIS 120 6.979 0.216 5.243 4 HD2 HIS 120 HD2 HIS 120 8.973 -2.393 2.701 5 HE1 HIS 120 HE1 HIS 120 9.326 0.080 6.123 6 HE2 HIS 120 HE2 HIS 120 10.408 -1.734 4.750 7 H HIS 120 HN HIS 120 6.021 -3.485 4.193 8 HB3 HIS 120 HB1 HIS 120 6.011 -0.336 2.468 No H/Q in entry = 8 In of MODEL 4 1 HA ALA 121 HA ALA 121 2.038 -2.224 1.103 2 HB1 ALA 121 HB1 ALA 121 1.244 -4.429 0.580 3 HB2 ALA 121 HB2 ALA 121 2.157 -5.116 1.923 4 HB3 ALA 121 HB3 ALA 121 3.008 -4.439 0.538 5 H ALA 121 HN ALA 121 4.149 -3.477 2.450 No H/Q in entry = 5 In of MODEL 4 1 HA MET 122 HA MET 122 -0.635 -3.745 4.719 2 HB2 MET 122 HB2 MET 122 1.824 -4.365 6.300 3 HG2 MET 122 HG2 MET 122 0.398 -6.009 4.860 4 HE3 MET 122 HE1 MET 122 -2.054 -4.141 5.878 5 HE2 MET 122 HE2 MET 122 -3.351 -5.337 5.874 6 HE1 MET 122 HE3 MET 122 -2.171 -5.309 4.562 7 H MET 122 HN MET 122 2.136 -3.919 4.145 8 HB3 MET 122 HB1 MET 122 0.300 -4.115 7.140 9 HG3 MET 122 HG1 MET 122 1.099 -6.499 6.400 No H/Q in entry = 9 In of MODEL 4 1 HA GLN 123 HA GLN 123 0.721 0.038 7.175 2 HB2 GLN 123 HB2 GLN 123 3.070 0.084 7.448 3 HG2 GLN 123 HG2 GLN 123 2.471 2.497 5.753 4 HE21 GLN 123 HE21 GLN 123 4.527 2.685 4.886 5 HE22 GLN 123 HE22 GLN 123 5.913 3.057 5.857 6 H GLN 123 HN GLN 123 2.141 -1.713 5.458 7 HB3 GLN 123 HB1 GLN 123 3.356 0.203 5.717 8 HG3 GLN 123 HG1 GLN 123 2.267 2.374 7.496 No H/Q in entry = 8 In of MODEL 4 1 HA LEU 124 HA LEU 124 0.392 2.763 3.456 2 HB2 LEU 124 HB2 LEU 124 0.786 0.613 1.366 3 HG LEU 124 HG LEU 124 2.842 1.564 2.583 4 HD11 LEU 124 HD11 LEU 124 2.608 1.843 -0.415 5 HD13 LEU 124 HD12 LEU 124 3.008 0.370 0.471 6 HD12 LEU 124 HD13 LEU 124 4.117 1.741 0.492 7 HD23 LEU 124 HD21 LEU 124 3.605 3.749 1.778 8 HD22 LEU 124 HD22 LEU 124 2.105 3.876 2.697 9 HD21 LEU 124 HD23 LEU 124 2.071 3.972 0.936 10 H LEU 124 HN LEU 124 1.452 0.187 3.717 11 HB3 LEU 124 HB1 LEU 124 0.387 2.282 0.995 No H/Q in entry = 11 In of MODEL 4 1 HA LEU 125 HA LEU 125 -3.647 0.360 2.335 2 HB2 LEU 125 HB2 LEU 125 -2.576 -1.950 3.934 3 HG LEU 125 HG LEU 125 -2.469 -2.050 1.423 4 HD12 LEU 125 HD11 LEU 125 -4.192 -4.080 2.835 5 HD11 LEU 125 HD12 LEU 125 -2.430 -4.027 2.866 6 HD13 LEU 125 HD13 LEU 125 -3.278 -4.345 1.354 7 HD22 LEU 125 HD21 LEU 125 -4.591 -0.924 0.940 8 HD21 LEU 125 HD22 LEU 125 -5.469 -2.238 1.726 9 HD23 LEU 125 HD23 LEU 125 -4.560 -2.546 0.244 10 H LEU 125 HN LEU 125 -1.063 -0.415 3.262 11 HB3 LEU 125 HB1 LEU 125 -4.305 -1.719 3.793 No H/Q in entry = 11 In of MODEL 4 1 HA THR 126 HA THR 126 -4.391 0.736 6.973 2 HB THR 126 HB THR 126 -1.491 1.292 7.633 3 HG1 THR 126 HG1 THR 126 -1.913 -0.916 7.302 4 HG21 THR 126 HG21 THR 126 -3.891 1.186 9.465 5 HG23 THR 126 HG22 THR 126 -2.945 2.621 9.062 6 HG22 THR 126 HG23 THR 126 -2.209 1.307 9.983 7 H THR 126 HN THR 126 -2.060 0.291 5.441 No H/Q in entry = 7 In of MODEL 4 1 HA ALA 127 HA ALA 127 -2.655 5.218 6.957 2 HB2 ALA 127 HB1 ALA 127 -1.201 6.341 5.373 3 HB3 ALA 127 HB2 ALA 127 -1.148 4.890 4.373 4 HB1 ALA 127 HB3 ALA 127 -0.450 4.871 5.995 5 H ALA 127 HN ALA 127 -1.843 2.855 5.721 No H/Q in entry = 5 In of MODEL 4 1 HA GLU 128 HA GLU 128 -4.860 6.197 2.810 2 HB2 GLU 128 HB2 GLU 128 -4.070 4.395 1.336 3 HG2 GLU 128 HG2 GLU 128 -5.959 4.088 -0.110 4 H GLU 128 HN GLU 128 -3.381 4.000 3.688 5 HB3 GLU 128 HB1 GLU 128 -5.207 3.283 2.066 6 HG3 GLU 128 HG1 GLU 128 -7.064 4.532 1.187 No H/Q in entry = 6 In of MODEL 4 1 HA ILE 129 HA ILE 129 -8.606 3.843 4.607 2 HB ILE 129 HB ILE 129 -6.911 2.337 6.598 3 HD12 ILE 129 HD11 ILE 129 -7.803 -0.780 4.756 4 HD11 ILE 129 HD12 ILE 129 -8.551 -0.224 6.253 5 HD13 ILE 129 HD13 ILE 129 -6.799 -0.146 6.060 6 H ILE 129 HN ILE 129 -5.854 3.310 4.587 No H/Q in entry = 6 In of MODEL 4 1 HA GLU 130 HA GLU 130 -7.551 6.131 8.761 2 HB2 GLU 130 HB2 GLU 130 -4.758 6.735 7.784 3 HG2 GLU 130 HG2 GLU 130 -5.675 5.071 10.113 4 H GLU 130 HN GLU 130 -6.025 4.765 6.850 5 HB3 GLU 130 HB1 GLU 130 -5.475 7.369 9.255 6 HG3 GLU 130 HG1 GLU 130 -4.871 4.485 8.657 No H/Q in entry = 6 In of MODEL 4 1 HA LYS 131 HA LYS 131 -6.723 9.861 5.857 2 HB2 LYS 131 HB2 LYS 131 -5.171 8.676 4.263 3 HG2 LYS 131 HG2 LYS 131 -6.970 10.334 2.570 4 HD2 LYS 131 HD2 LYS 131 -4.822 11.290 1.862 5 HE2 LYS 131 HE2 LYS 131 -3.769 9.240 0.915 6 HZ2 LYS 131 HZ1 LYS 131 -5.516 10.124 -0.363 7 HZ1 LYS 131 HZ2 LYS 131 -6.705 9.538 0.691 8 HZ3 LYS 131 HZ3 LYS 131 -5.815 8.455 -0.259 9 H LYS 131 HN LYS 131 -6.250 7.088 5.660 10 HB3 LYS 131 HB1 LYS 131 -6.587 8.202 3.337 11 HG3 LYS 131 HG1 LYS 131 -6.121 11.088 3.922 12 HD3 LYS 131 HD1 LYS 131 -3.990 10.280 3.043 13 HE3 LYS 131 HE1 LYS 131 -4.894 8.280 1.872 No H/Q in entry = 13 In of MODEL 4 1 HA ILE 132 HA ILE 132 -10.777 8.917 3.580 2 HB ILE 132 HB ILE 132 -10.978 5.978 4.199 3 HD12 ILE 132 HD11 ILE 132 -9.758 5.153 0.720 4 HD11 ILE 132 HD12 ILE 132 -11.452 5.466 1.105 5 HD13 ILE 132 HD13 ILE 132 -10.487 4.423 2.150 6 H ILE 132 HN ILE 132 -8.623 7.233 4.351 No H/Q in entry = 6 In of MODEL 4 1 HA GLN 133 HA GLN 133 -12.738 7.174 7.624 2 HB2 GLN 133 HB2 GLN 133 -10.033 6.714 8.883 3 HG2 GLN 133 HG2 GLN 133 -10.907 4.908 7.404 4 HE21 GLN 133 HE21 GLN 133 -12.015 2.707 8.967 5 HE22 GLN 133 HE22 GLN 133 -13.734 2.887 8.874 6 H GLN 133 HN GLN 133 -10.226 6.876 6.427 7 HB3 GLN 133 HB1 GLN 133 -11.545 6.644 9.776 8 HG3 GLN 133 HG1 GLN 133 -10.630 4.440 9.077 No H/Q in entry = 8 In of MODEL 4 1 HA LYS 134 HA LYS 134 -10.980 10.936 9.846 2 HB2 LYS 134 HB2 LYS 134 -9.027 12.293 9.576 3 HG2 LYS 134 HG2 LYS 134 -8.301 10.734 7.113 4 HD2 LYS 134 HD2 LYS 134 -7.111 13.174 8.411 5 HE2 LYS 134 HE2 LYS 134 -5.475 13.093 6.591 6 HZ1 LYS 134 HZ1 LYS 134 -8.274 13.300 5.601 7 HZ3 LYS 134 HZ2 LYS 134 -6.905 13.888 4.797 8 HZ2 LYS 134 HZ3 LYS 134 -7.360 14.554 6.287 9 H LYS 134 HN LYS 134 -9.848 9.194 7.861 10 HB3 LYS 134 HB1 LYS 134 -8.505 10.616 9.489 11 HG3 LYS 134 HG1 LYS 134 -9.034 12.337 7.079 12 HD3 LYS 134 HD1 LYS 134 -6.369 11.577 8.270 13 HE3 LYS 134 HE1 LYS 134 -6.380 11.784 5.837 No H/Q in entry = 13 In of MODEL 4 1 HA3 GLY 135 HA2 GLY 135 -12.039 12.069 4.799 2 H GLY 135 HN GLY 135 -10.880 10.829 6.365 3 HA2 GLY 135 HA1 GLY 135 -12.768 12.986 6.114 No H/Q in entry = 3 In of MODEL 4 1 H1 GLY 95 HT1 GLY 95 14.230 4.268 12.154 2 H2 GLY 95 HT3 GLY 95 14.031 3.351 10.738 3 H3 GLY 95 HT2 GLY 95 15.161 2.866 11.905 4 HA2 GLY 95 HA2 GLY 95 15.292 5.297 10.212 5 HA3 GLY 95 HA1 GLY 95 16.318 3.876 10.082 No H/Q in entry = 5 In of MODEL 4 1 HA ALA 96 HA ALA 96 17.954 5.844 13.906 2 HB2 ALA 96 HB1 ALA 96 18.863 4.382 15.662 3 HB1 ALA 96 HB2 ALA 96 18.349 2.968 14.741 4 HB3 ALA 96 HB3 ALA 96 17.147 4.084 15.386 5 H ALA 96 HN ALA 96 16.938 3.380 12.753 No H/Q in entry = 5 In of MODEL 4 1 HA MET 97 HA MET 97 21.516 4.509 11.472 2 HB2 MET 97 HB2 MET 97 21.600 1.790 12.753 3 HG2 MET 97 HG2 MET 97 22.238 3.766 14.088 4 HE1 MET 97 HE1 MET 97 23.898 5.648 14.854 5 HE3 MET 97 HE2 MET 97 25.335 6.130 13.952 6 HE2 MET 97 HE3 MET 97 25.254 4.533 14.697 7 H MET 97 HN MET 97 19.264 2.888 12.463 8 HB3 MET 97 HB1 MET 97 22.807 2.240 11.557 9 HG3 MET 97 HG1 MET 97 23.551 2.609 13.873 No H/Q in entry = 9 In of MODEL 4 1 HA GLU 98 HA GLU 98 19.610 1.306 8.499 2 HB2 GLU 98 HB2 GLU 98 16.824 2.191 9.258 3 HG2 GLU 98 HG2 GLU 98 16.651 -0.203 10.175 4 H GLU 98 HN GLU 98 18.889 2.622 10.910 5 HB3 GLU 98 HB1 GLU 98 17.283 0.845 8.228 6 HG3 GLU 98 HG1 GLU 98 18.403 -0.096 10.356 No H/Q in entry = 6 In of MODEL 4 1 HA PRO 99 HA PRO 99 19.562 4.894 5.904 2 HB2 PRO 99 HB2 PRO 99 19.631 3.612 3.510 3 HG2 PRO 99 HG2 PRO 99 19.250 1.439 4.162 4 HD2 PRO 99 HD2 PRO 99 19.221 0.850 6.368 5 HB3 PRO 99 HB1 PRO 99 21.046 3.784 4.553 6 HG3 PRO 99 HG1 PRO 99 21.006 1.481 4.388 7 HD3 PRO 99 HD1 PRO 99 20.823 1.542 6.672 No H/Q in entry = 7 In of MODEL 4 1 HA GLU 100 HA GLU 100 15.239 5.082 5.334 2 HB2 GLU 100 HB2 GLU 100 16.203 7.810 4.464 3 HG2 GLU 100 HG2 GLU 100 15.168 8.308 6.856 4 H GLU 100 HN GLU 100 17.861 6.080 5.496 5 HB3 GLU 100 HB1 GLU 100 14.560 7.369 4.899 6 HG3 GLU 100 HG1 GLU 100 15.771 6.682 7.167 No H/Q in entry = 6 In of MODEL 4 1 HA ASN 101 HA ASN 101 15.882 5.881 0.647 2 HB2 ASN 101 HB2 ASN 101 18.265 6.620 0.655 3 HD21 ASN 101 HD21 ASN 101 16.079 6.262 -1.131 4 HD22 ASN 101 HD22 ASN 101 16.737 5.867 -2.685 5 H ASN 101 HN ASN 101 17.596 5.687 2.935 6 HB3 ASN 101 HB1 ASN 101 18.757 4.931 0.736 No H/Q in entry = 6 In of MODEL 4 1 HA LYS 102 HA LYS 102 16.954 1.131 0.558 2 HB2 LYS 102 HB2 LYS 102 18.483 1.036 2.513 3 HG2 LYS 102 HG2 LYS 102 16.392 -1.118 2.633 4 HD2 LYS 102 HD2 LYS 102 19.333 -1.067 3.269 5 HE2 LYS 102 HE2 LYS 102 18.612 -3.099 2.025 6 HZ2 LYS 102 HZ1 LYS 102 16.343 -3.289 2.835 7 HZ1 LYS 102 HZ2 LYS 102 16.906 -3.565 4.413 8 HZ3 LYS 102 HZ3 LYS 102 17.223 -4.693 3.191 9 H LYS 102 HN LYS 102 17.571 3.229 2.241 10 HB3 LYS 102 HB1 LYS 102 17.076 0.980 3.567 11 HG3 LYS 102 HG1 LYS 102 17.663 -1.038 1.417 12 HD3 LYS 102 HD1 LYS 102 18.001 -1.348 4.392 13 HE3 LYS 102 HE1 LYS 102 19.207 -3.416 3.654 No H/Q in entry = 13 In of MODEL 4 1 HA TYR 103 HA TYR 103 12.659 1.129 2.754 2 HB2 TYR 103 HB2 TYR 103 12.556 3.345 3.681 3 HD1 TYR 103 HD1 TYR 103 10.672 4.906 1.239 4 HD2 TYR 103 HD2 TYR 103 10.470 1.662 3.979 5 HE1 TYR 103 HE1 TYR 103 8.222 5.018 1.161 6 HE2 TYR 103 HE2 TYR 103 8.015 1.762 3.920 7 HH TYR 103 HH TYR 103 6.295 3.677 1.629 8 H TYR 103 HN TYR 103 14.713 2.985 2.301 9 HB3 TYR 103 HB1 TYR 103 12.624 4.076 2.085 No H/Q in entry = 9 In of MODEL 4 1 HA LEU 104 HA LEU 104 11.587 2.288 -1.785 2 HB2 LEU 104 HB2 LEU 104 13.309 3.903 -2.298 3 HG LEU 104 HG LEU 104 13.412 1.793 -4.452 4 HD13 LEU 104 HD11 LEU 104 11.113 2.354 -3.925 5 HD12 LEU 104 HD12 LEU 104 11.571 3.064 -5.474 6 HD11 LEU 104 HD13 LEU 104 11.486 4.075 -4.029 7 HD21 LEU 104 HD21 LEU 104 13.947 4.761 -4.483 8 HD23 LEU 104 HD22 LEU 104 13.887 3.722 -5.908 9 HD22 LEU 104 HD23 LEU 104 15.138 3.475 -4.690 10 H LEU 104 HN LEU 104 13.858 2.633 -0.139 11 HB3 LEU 104 HB1 LEU 104 14.509 2.636 -2.443 No H/Q in entry = 11 In of MODEL 4 1 HA PRO 105 HA PRO 105 13.801 -1.728 -3.447 2 HB2 PRO 105 HB2 PRO 105 15.579 -2.886 -1.699 3 HG2 PRO 105 HG2 PRO 105 15.627 -1.155 -0.153 4 HD2 PRO 105 HD2 PRO 105 15.008 1.029 -0.700 5 HB3 PRO 105 HB1 PRO 105 16.059 -1.835 -3.039 6 HG3 PRO 105 HG1 PRO 105 16.971 -0.682 -1.218 7 HD3 PRO 105 HD1 PRO 105 15.676 0.904 -2.343 No H/Q in entry = 7 In of MODEL 4 1 HA GLU 106 HA GLU 106 12.213 -3.793 0.621 2 HB2 GLU 106 HB2 GLU 106 11.362 -1.102 1.691 3 HG2 GLU 106 HG2 GLU 106 13.704 -1.403 2.120 4 H GLU 106 HN GLU 106 13.218 -1.250 0.004 5 HB3 GLU 106 HB1 GLU 106 10.985 -2.651 2.420 6 HG3 GLU 106 HG1 GLU 106 12.785 -1.609 3.610 No H/Q in entry = 6 In of MODEL 4 1 HA LEU 107 HA LEU 107 8.016 -1.818 -0.699 2 HB2 LEU 107 HB2 LEU 107 9.384 0.288 -2.370 3 HG LEU 107 HG LEU 107 9.243 0.768 0.105 4 HD13 LEU 107 HD11 LEU 107 9.466 2.517 -1.558 5 HD12 LEU 107 HD12 LEU 107 8.374 3.032 -0.271 6 HD11 LEU 107 HD13 LEU 107 7.722 2.510 -1.824 7 HD23 LEU 107 HD21 LEU 107 6.294 0.847 -0.533 8 HD22 LEU 107 HD22 LEU 107 7.044 1.379 0.972 9 HD21 LEU 107 HD23 LEU 107 7.094 -0.325 0.516 10 H LEU 107 HN LEU 107 10.689 -0.880 -0.663 11 HB3 LEU 107 HB1 LEU 107 7.655 0.012 -2.336 No H/Q in entry = 11 In of MODEL 4 1 HA MET 108 HA MET 108 8.981 -2.819 -5.280 2 HB2 MET 108 HB2 MET 108 10.988 -3.129 -6.485 3 HG2 MET 108 HG2 MET 108 12.534 -2.555 -3.978 4 HE2 MET 108 HE1 MET 108 14.402 -0.410 -6.688 5 HE1 MET 108 HE2 MET 108 13.683 -0.410 -5.078 6 HE3 MET 108 HE3 MET 108 12.658 -0.582 -6.502 7 H MET 108 HN MET 108 10.555 -1.726 -3.177 8 HB3 MET 108 HB1 MET 108 11.061 -1.587 -5.650 9 HG3 MET 108 HG1 MET 108 12.426 -4.123 -4.775 No H/Q in entry = 9 In of MODEL 4 1 HA ALA 109 HA ALA 109 10.763 -6.938 -3.830 2 HB1 ALA 109 HB1 ALA 109 12.468 -6.326 -2.176 3 HB2 ALA 109 HB2 ALA 109 11.530 -7.718 -1.636 4 HB3 ALA 109 HB3 ALA 109 11.214 -6.122 -0.954 5 H ALA 109 HN ALA 109 10.905 -4.324 -2.724 No H/Q in entry = 5 In of MODEL 4 1 HA GLU 110 HA GLU 110 7.043 -7.461 -0.924 2 HB2 GLU 110 HB2 GLU 110 6.707 -4.488 -0.479 3 HG2 GLU 110 HG2 GLU 110 7.149 -6.744 1.462 4 H GLU 110 HN GLU 110 8.832 -5.278 -1.358 5 HB3 GLU 110 HB1 GLU 110 5.496 -5.676 -0.023 6 HG3 GLU 110 HG1 GLU 110 8.302 -5.475 1.043 No H/Q in entry = 6 In of MODEL 4 1 HA LYS 111 HA LYS 111 4.591 -4.963 -4.220 2 HB2 LYS 111 HB2 LYS 111 5.726 -2.962 -4.655 3 HG2 LYS 111 HG2 LYS 111 6.036 -4.511 -7.212 4 HD2 LYS 111 HD2 LYS 111 5.752 -1.551 -6.729 5 HE2 LYS 111 HE2 LYS 111 4.807 -2.298 -8.861 6 HZ1 LYS 111 HZ1 LYS 111 6.181 -4.272 -9.212 7 HZ3 LYS 111 HZ2 LYS 111 7.540 -3.288 -9.454 8 HZ2 LYS 111 HZ3 LYS 111 6.244 -3.222 -10.539 9 H LYS 111 HN LYS 111 7.133 -4.701 -3.067 10 HB3 LYS 111 HB1 LYS 111 7.182 -3.789 -5.178 11 HG3 LYS 111 HG1 LYS 111 4.577 -3.661 -6.689 12 HD3 LYS 111 HD1 LYS 111 7.265 -2.364 -7.119 13 HE3 LYS 111 HE1 LYS 111 6.247 -1.302 -9.071 No H/Q in entry = 13 In of MODEL 4 1 HA ASP 112 HA ASP 112 6.649 -7.679 -7.511 2 HB2 ASP 112 HB2 ASP 112 9.050 -7.113 -7.183 3 H ASP 112 HN ASP 112 7.704 -6.353 -5.236 4 HB3 ASP 112 HB1 ASP 112 9.142 -8.356 -5.940 No H/Q in entry = 4 In of MODEL 4 1 HA SER 113 HA SER 113 6.380 -11.351 -4.689 2 HB2 SER 113 HB2 SER 113 6.755 -9.918 -2.057 3 HG SER 113 HG SER 113 8.656 -9.717 -3.074 4 H SER 113 HN SER 113 6.821 -8.524 -4.146 5 HB3 SER 113 HB1 SER 113 6.769 -11.663 -2.304 No H/Q in entry = 5 In of MODEL 4 1 HA LEU 114 HA LEU 114 2.535 -9.858 -2.307 2 HB2 LEU 114 HB2 LEU 114 3.207 -7.380 -2.432 3 HG LEU 114 HG LEU 114 0.336 -8.259 -2.296 4 HD13 LEU 114 HD11 LEU 114 1.792 -8.811 -0.415 5 HD12 LEU 114 HD12 LEU 114 0.587 -7.608 0.050 6 HD11 LEU 114 HD13 LEU 114 2.250 -7.115 -0.262 7 HD23 LEU 114 HD21 LEU 114 1.327 -5.455 -1.858 8 HD22 LEU 114 HD22 LEU 114 -0.332 -6.036 -1.700 9 HD21 LEU 114 HD23 LEU 114 0.442 -5.987 -3.283 10 H LEU 114 HN LEU 114 4.558 -8.577 -3.856 11 HB3 LEU 114 HB1 LEU 114 2.185 -7.309 -3.854 No H/Q in entry = 11 In of MODEL 4 1 HA ASP 115 HA ASP 115 0.321 -11.613 -5.560 2 HB2 ASP 115 HB2 ASP 115 -0.478 -12.793 -3.481 3 H ASP 115 HN ASP 115 0.521 -10.563 -2.907 4 HB3 ASP 115 HB1 ASP 115 -1.797 -11.630 -3.400 No H/Q in entry = 4 In of MODEL 4 1 HA PRO 116 HA PRO 116 -1.615 -8.179 -7.496 2 HB2 PRO 116 HB2 PRO 116 -2.821 -9.500 -9.564 3 HG2 PRO 116 HG2 PRO 116 -2.510 -11.667 -8.780 4 HD2 PRO 116 HD2 PRO 116 -0.907 -12.189 -7.176 5 HB3 PRO 116 HB1 PRO 116 -1.094 -9.131 -9.506 6 HG3 PRO 116 HG1 PRO 116 -1.032 -11.453 -9.740 7 HD3 PRO 116 HD1 PRO 116 0.280 -11.056 -7.856 No H/Q in entry = 7 In of MODEL 4 1 HA SER 117 HA SER 117 -6.042 -9.970 -6.964 2 HB2 SER 117 HB2 SER 117 -5.464 -12.221 -6.008 3 HG SER 117 HG SER 117 -7.661 -11.142 -5.935 4 H SER 117 HN SER 117 -3.463 -10.843 -6.257 5 HB3 SER 117 HB1 SER 117 -5.287 -11.447 -4.434 No H/Q in entry = 5 In of MODEL 4 1 HA PHE 118 HA PHE 118 -5.770 -7.131 -3.345 2 HB2 PHE 118 HB2 PHE 118 -2.787 -7.301 -2.842 3 HD1 PHE 118 HD1 PHE 118 -2.854 -9.788 -2.934 4 HD2 PHE 118 HD2 PHE 118 -5.214 -7.534 -0.208 5 HE1 PHE 118 HE1 PHE 118 -3.191 -11.799 -1.572 6 HE2 PHE 118 HE2 PHE 118 -5.547 -9.537 1.167 7 HZ PHE 118 HZ PHE 118 -4.540 -11.681 0.491 8 H PHE 118 HN PHE 118 -3.763 -8.804 -4.662 9 HB3 PHE 118 HB1 PHE 118 -3.962 -6.439 -1.856 No H/Q in entry = 9 In of MODEL 4 1 HA THR 119 HA THR 119 -4.430 -4.728 -6.886 2 HB THR 119 HB THR 119 -7.267 -3.899 -6.275 3 HG1 THR 119 HG1 THR 119 -6.130 -5.952 -7.662 4 HG21 THR 119 HG21 THR 119 -6.038 -2.073 -7.341 5 HG23 THR 119 HG22 THR 119 -7.211 -2.776 -8.458 6 HG22 THR 119 HG23 THR 119 -5.499 -3.169 -8.613 7 H THR 119 HN THR 119 -6.299 -5.870 -5.133 No H/Q in entry = 7 In of MODEL 4 1 HA HIS 120 HA HIS 120 -5.056 -0.736 -4.537 2 HB2 HIS 120 HB2 HIS 120 -6.420 -1.921 -2.124 3 HD1 HIS 120 HD1 HIS 120 -7.004 0.421 -5.074 4 HD2 HIS 120 HD2 HIS 120 -9.060 -2.209 -2.603 5 HE1 HIS 120 HE1 HIS 120 -9.335 0.321 -5.993 6 HE2 HIS 120 HE2 HIS 120 -10.475 -1.475 -4.648 7 H HIS 120 HN HIS 120 -6.115 -3.344 -4.077 8 HB3 HIS 120 HB1 HIS 120 -6.053 -0.212 -2.329 No H/Q in entry = 8 In of MODEL 4 1 HA ALA 121 HA ALA 121 -2.121 -2.182 -0.968 2 HB3 ALA 121 HB1 ALA 121 -1.377 -4.407 -0.456 3 HB2 ALA 121 HB2 ALA 121 -2.301 -5.067 -1.805 4 HB1 ALA 121 HB3 ALA 121 -3.141 -4.375 -0.420 5 H ALA 121 HN ALA 121 -4.253 -3.386 -2.324 No H/Q in entry = 5 In of MODEL 4 1 HA MET 122 HA MET 122 0.535 -3.722 -4.588 2 HB2 MET 122 HB2 MET 122 -1.929 -4.278 -6.182 3 HG2 MET 122 HG2 MET 122 -0.541 -5.963 -4.749 4 HE3 MET 122 HE1 MET 122 1.945 -4.136 -5.752 5 HE2 MET 122 HE2 MET 122 3.219 -5.355 -5.749 6 HE1 MET 122 HE3 MET 122 2.038 -5.316 -4.442 7 H MET 122 HN MET 122 -2.242 -3.844 -4.027 8 HB3 MET 122 HB1 MET 122 -0.397 -4.053 -7.017 9 HG3 MET 122 HG1 MET 122 -1.244 -6.427 -6.296 No H/Q in entry = 9 In of MODEL 4 1 HA GLN 123 HA GLN 123 -0.744 0.112 -7.012 2 HB2 GLN 123 HB2 GLN 123 -3.090 0.197 -7.292 3 HG2 GLN 123 HG2 GLN 123 -2.458 2.584 -5.573 4 HE21 GLN 123 HE21 GLN 123 -4.506 2.806 -4.713 5 HE22 GLN 123 HE22 GLN 123 -5.884 3.221 -5.681 6 H GLN 123 HN GLN 123 -2.198 -1.633 -5.315 7 HB3 GLN 123 HB1 GLN 123 -3.377 0.305 -5.562 8 HG3 GLN 123 HG1 GLN 123 -2.252 2.473 -7.316 No H/Q in entry = 8 In of MODEL 4 1 HA LEU 124 HA LEU 124 -0.371 2.789 -3.267 2 HB2 LEU 124 HB2 LEU 124 -0.817 0.632 -1.198 3 HG LEU 124 HG LEU 124 -2.851 1.629 -2.415 4 HD11 LEU 124 HD11 LEU 124 -2.620 1.883 0.584 5 HD13 LEU 124 HD12 LEU 124 -3.045 0.423 -0.313 6 HD12 LEU 124 HD13 LEU 124 -4.128 1.813 -0.326 7 HD23 LEU 124 HD21 LEU 124 -3.577 3.821 -1.593 8 HD22 LEU 124 HD22 LEU 124 -2.075 3.929 -2.510 9 HD21 LEU 124 HD23 LEU 124 -2.039 4.011 -0.750 10 H LEU 124 HN LEU 124 -1.481 0.238 -3.556 11 HB3 LEU 124 HB1 LEU 124 -0.389 2.291 -0.810 No H/Q in entry = 11 In of MODEL 4 1 HA LEU 125 HA LEU 125 3.613 0.303 -2.155 2 HB2 LEU 125 HB2 LEU 125 2.505 -1.967 -3.779 3 HG LEU 125 HG LEU 125 2.389 -2.092 -1.268 4 HD12 LEU 125 HD11 LEU 125 4.074 -4.145 -2.694 5 HD11 LEU 125 HD12 LEU 125 2.313 -4.055 -2.728 6 HD13 LEU 125 HD13 LEU 125 3.151 -4.405 -1.218 7 HD22 LEU 125 HD21 LEU 125 4.529 -1.006 -0.769 8 HD21 LEU 125 HD22 LEU 125 5.388 -2.327 -1.565 9 HD23 LEU 125 HD23 LEU 125 4.469 -2.634 -0.090 10 H LEU 125 HN LEU 125 1.021 -0.415 -3.094 11 HB3 LEU 125 HB1 LEU 125 4.239 -1.771 -3.630 No H/Q in entry = 11 In of MODEL 4 1 HA THR 126 HA THR 126 4.384 0.709 -6.792 2 HB THR 126 HB THR 126 1.495 1.320 -7.453 3 HG1 THR 126 HG1 THR 126 1.871 -0.890 -7.151 4 HG21 THR 126 HG21 THR 126 3.897 1.191 -9.280 5 HG23 THR 126 HG22 THR 126 2.979 2.639 -8.864 6 HG22 THR 126 HG23 THR 126 2.220 1.351 -9.801 7 H THR 126 HN THR 126 2.041 0.291 -5.270 No H/Q in entry = 7 In of MODEL 4 1 HA ALA 127 HA ALA 127 2.736 5.216 -6.740 2 HB2 ALA 127 HB1 ALA 127 1.295 6.362 -5.157 3 HB1 ALA 127 HB2 ALA 127 1.204 4.903 -4.168 4 HB3 ALA 127 HB3 ALA 127 0.518 4.911 -5.793 5 H ALA 127 HN ALA 127 1.869 2.862 -5.525 No H/Q in entry = 5 In of MODEL 4 1 HA GLU 128 HA GLU 128 4.938 6.120 -2.575 2 HB2 GLU 128 HB2 GLU 128 4.112 4.322 -1.111 3 HG2 GLU 128 HG2 GLU 128 5.994 3.967 0.334 4 H GLU 128 HN GLU 128 3.426 3.950 -3.479 5 HB3 GLU 128 HB1 GLU 128 5.230 3.195 -1.849 6 HG3 GLU 128 HG1 GLU 128 7.108 4.398 -0.960 No H/Q in entry = 6 In of MODEL 4 1 HA ILE 129 HA ILE 129 8.641 3.713 -4.376 2 HB ILE 129 HB ILE 129 6.930 2.256 -6.390 3 HD12 ILE 129 HD11 ILE 129 7.760 -0.892 -4.577 4 HD11 ILE 129 HD12 ILE 129 8.523 -0.335 -6.068 5 HD13 ILE 129 HD13 ILE 129 6.772 -0.226 -5.877 6 H ILE 129 HN ILE 129 5.880 3.230 -4.375 No H/Q in entry = 6 In of MODEL 4 1 HA GLU 130 HA GLU 130 7.652 6.056 -8.516 2 HB2 GLU 130 HB2 GLU 130 4.863 6.708 -7.550 3 HG2 GLU 130 HG2 GLU 130 5.770 5.046 -9.889 4 H GLU 130 HN GLU 130 6.085 4.711 -6.615 5 HB3 GLU 130 HB1 GLU 130 5.602 7.342 -9.011 6 HG3 GLU 130 HG1 GLU 130 4.952 4.459 -8.441 No H/Q in entry = 6 In of MODEL 4 1 HA LYS 131 HA LYS 131 6.881 9.779 -5.579 2 HB2 LYS 131 HB2 LYS 131 5.299 8.601 -4.003 3 HG2 LYS 131 HG2 LYS 131 7.119 10.214 -2.290 4 HD2 LYS 131 HD2 LYS 131 4.994 11.205 -1.582 5 HE2 LYS 131 HE2 LYS 131 3.893 9.170 -0.660 6 HZ2 LYS 131 HZ1 LYS 131 5.661 9.998 0.632 7 HZ1 LYS 131 HZ2 LYS 131 6.836 9.397 -0.430 8 HZ3 LYS 131 HZ3 LYS 131 5.919 8.324 0.508 9 H LYS 131 HN LYS 131 6.356 7.012 -5.412 10 HB3 LYS 131 HB1 LYS 131 6.706 8.096 -3.076 11 HG3 LYS 131 HG1 LYS 131 6.293 10.994 -3.643 12 HD3 LYS 131 HD1 LYS 131 4.140 10.228 -2.776 13 HE3 LYS 131 HE1 LYS 131 4.998 8.196 -1.624 No H/Q in entry = 13 In of MODEL 4 1 HA ILE 132 HA ILE 132 10.911 8.735 -3.298 2 HB ILE 132 HB ILE 132 11.057 5.798 -3.947 3 HD12 ILE 132 HD11 ILE 132 9.813 4.965 -0.475 4 HD11 ILE 132 HD12 ILE 132 11.513 5.250 -0.851 5 HD13 ILE 132 HD13 ILE 132 10.534 4.229 -1.907 6 H ILE 132 HN ILE 132 8.726 7.104 -4.090 No H/Q in entry = 6 In of MODEL 4 1 HA GLN 133 HA GLN 133 12.849 6.990 -7.350 2 HB2 GLN 133 HB2 GLN 133 10.141 6.589 -8.621 3 HG2 GLN 133 HG2 GLN 133 10.980 4.755 -7.159 4 HE21 GLN 133 HE21 GLN 133 12.054 2.552 -8.726 5 HE22 GLN 133 HE22 GLN 133 13.778 2.698 -8.650 6 H GLN 133 HN GLN 133 10.326 6.733 -6.166 7 HB3 GLN 133 HB1 GLN 133 11.654 6.502 -9.509 8 HG3 GLN 133 HG1 GLN 133 10.697 4.308 -8.836 No H/Q in entry = 8 In of MODEL 4 1 HA LYS 134 HA LYS 134 11.171 10.807 -9.547 2 HB2 LYS 134 HB2 LYS 134 9.240 12.199 -9.276 3 HG2 LYS 134 HG2 LYS 134 8.477 10.633 -6.827 4 HD2 LYS 134 HD2 LYS 134 7.335 13.112 -8.105 5 HE2 LYS 134 HE2 LYS 134 5.686 13.037 -6.296 6 HZ1 LYS 134 HZ1 LYS 134 8.479 13.176 -5.273 7 HZ3 LYS 134 HZ2 LYS 134 7.107 13.788 -4.490 8 HZ2 LYS 134 HZ3 LYS 134 7.604 14.456 -5.964 9 H LYS 134 HN LYS 134 9.994 9.070 -7.586 10 HB3 LYS 134 HB1 LYS 134 8.689 10.531 -9.202 11 HG3 LYS 134 HG1 LYS 134 9.238 12.222 -6.779 12 HD3 LYS 134 HD1 LYS 134 6.567 11.526 -7.990 13 HE3 LYS 134 HE1 LYS 134 6.561 11.701 -5.552 No H/Q in entry = 13 In of MODEL 4 1 HA3 GLY 135 HA2 GLY 135 12.233 11.871 -4.486 2 H GLY 135 HN GLY 135 11.058 10.668 -6.068 3 HA2 GLY 135 HA1 GLY 135 12.982 12.788 -5.788 No H/Q in entry = 3 In of MODEL 5 1 H1 GLY 95 HT2 GLY 95 -9.271 5.830 -6.389 2 H2 GLY 95 HT1 GLY 95 -8.969 4.196 -6.728 3 H3 GLY 95 HT3 GLY 95 -8.007 5.024 -5.606 4 HA3 GLY 95 HA1 GLY 95 -6.970 6.307 -7.232 5 HA2 GLY 95 HA2 GLY 95 -6.980 4.658 -7.837 No H/Q in entry = 5 In of MODEL 5 1 HA ALA 96 HA ALA 96 -8.638 6.725 -11.248 2 HB1 ALA 96 HB1 ALA 96 -8.130 5.485 -13.273 3 HB2 ALA 96 HB2 ALA 96 -7.830 4.028 -12.325 4 HB3 ALA 96 HB3 ALA 96 -6.774 5.428 -12.150 5 H ALA 96 HN ALA 96 -7.692 4.365 -9.844 No H/Q in entry = 5 In of MODEL 5 1 HA MET 97 HA MET 97 -12.318 4.154 -11.900 2 HB2 MET 97 HB2 MET 97 -11.029 2.293 -12.863 3 HG2 MET 97 HG2 MET 97 -13.565 1.339 -11.547 4 HE2 MET 97 HE1 MET 97 -12.517 -1.087 -11.037 5 HE1 MET 97 HE2 MET 97 -10.956 -0.504 -11.618 6 HE3 MET 97 HE3 MET 97 -11.618 -2.017 -12.237 7 H MET 97 HN MET 97 -9.876 3.539 -10.358 8 HB3 MET 97 HB1 MET 97 -11.113 1.444 -11.327 9 HG3 MET 97 HG1 MET 97 -13.435 2.135 -13.113 No H/Q in entry = 9 In of MODEL 5 1 HA GLU 98 HA GLU 98 -13.469 2.371 -7.777 2 HB2 GLU 98 HB2 GLU 98 -11.166 3.281 -6.090 3 HG2 GLU 98 HG2 GLU 98 -10.471 0.761 -6.440 4 H GLU 98 HN GLU 98 -11.052 3.568 -8.855 5 HB3 GLU 98 HB1 GLU 98 -12.282 1.952 -5.817 6 HG3 GLU 98 HG1 GLU 98 -11.161 1.056 -8.039 No H/Q in entry = 6 In of MODEL 5 1 HA PRO 99 HA PRO 99 -15.034 6.352 -6.577 2 HB2 PRO 99 HB2 PRO 99 -17.343 5.484 -5.504 3 HG2 PRO 99 HG2 PRO 99 -16.946 3.217 -5.360 4 HD2 PRO 99 HD2 PRO 99 -15.112 2.288 -6.351 5 HB3 PRO 99 HB1 PRO 99 -17.082 5.520 -7.252 6 HG3 PRO 99 HG1 PRO 99 -17.599 3.279 -7.006 7 HD3 PRO 99 HD1 PRO 99 -15.545 2.915 -7.948 No H/Q in entry = 7 In of MODEL 5 1 HA GLU 100 HA GLU 100 -13.412 6.737 -2.733 2 HB2 GLU 100 HB2 GLU 100 -14.151 9.057 -3.244 3 HG2 GLU 100 HG2 GLU 100 -14.436 8.472 -0.311 4 H GLU 100 HN GLU 100 -15.358 7.472 -4.598 5 HB3 GLU 100 HB1 GLU 100 -15.641 8.739 -2.370 6 HG3 GLU 100 HG1 GLU 100 -12.892 8.612 -1.156 No H/Q in entry = 6 In of MODEL 5 1 HA ASN 101 HA ASN 101 -17.120 5.863 0.158 2 HB2 ASN 101 HB2 ASN 101 -19.011 6.744 -1.197 3 HD21 ASN 101 HD21 ASN 101 -18.392 5.692 1.380 4 HD22 ASN 101 HD22 ASN 101 -19.805 4.890 1.974 5 H ASN 101 HN ASN 101 -16.938 6.829 -2.384 6 HB3 ASN 101 HB1 ASN 101 -19.079 5.194 -2.033 No H/Q in entry = 6 In of MODEL 5 1 HA LYS 102 HA LYS 102 -17.043 1.499 -1.196 2 HB2 LYS 102 HB2 LYS 102 -18.023 1.879 -3.538 3 HG2 LYS 102 HG2 LYS 102 -16.372 -0.589 -3.051 4 HD2 LYS 102 HD2 LYS 102 -18.146 -1.660 -4.473 5 HE2 LYS 102 HE2 LYS 102 -17.191 -0.851 -6.632 6 HZ2 LYS 102 HZ1 LYS 102 -15.998 -2.540 -5.412 7 HZ1 LYS 102 HZ2 LYS 102 -15.228 -1.370 -4.465 8 HZ3 LYS 102 HZ3 LYS 102 -14.892 -1.466 -6.121 9 H LYS 102 HN LYS 102 -16.607 3.933 -2.745 10 HB3 LYS 102 HB1 LYS 102 -16.387 1.611 -4.130 11 HG3 LYS 102 HG1 LYS 102 -18.030 -0.321 -2.512 12 HD3 LYS 102 HD1 LYS 102 -18.657 -0.034 -4.930 13 HE3 LYS 102 HE1 LYS 102 -16.341 0.399 -5.725 No H/Q in entry = 13 In of MODEL 5 1 HA TYR 103 HA TYR 103 -12.472 1.611 -2.739 2 HB2 TYR 103 HB2 TYR 103 -12.354 3.896 -3.568 3 HD1 TYR 103 HD1 TYR 103 -10.342 2.146 -3.978 4 HD2 TYR 103 HD2 TYR 103 -10.400 5.214 -1.041 5 HE1 TYR 103 HE1 TYR 103 -7.883 2.139 -3.929 6 HE2 TYR 103 HE2 TYR 103 -7.948 5.215 -0.965 7 HH TYR 103 HH TYR 103 -6.083 3.866 -1.532 8 H TYR 103 HN TYR 103 -14.536 3.476 -2.376 9 HB3 TYR 103 HB1 TYR 103 -12.388 4.523 -1.927 No H/Q in entry = 9 In of MODEL 5 1 HA LEU 104 HA LEU 104 -11.569 2.638 1.848 2 HB2 LEU 104 HB2 LEU 104 -13.245 4.272 2.397 3 HG LEU 104 HG LEU 104 -13.452 2.056 4.437 4 HD13 LEU 104 HD11 LEU 104 -11.139 2.652 3.988 5 HD12 LEU 104 HD12 LEU 104 -11.638 3.222 5.581 6 HD11 LEU 104 HD13 LEU 104 -11.520 4.358 4.236 7 HD22 LEU 104 HD21 LEU 104 -13.985 3.862 5.993 8 HD21 LEU 104 HD22 LEU 104 -15.178 3.754 4.698 9 HD23 LEU 104 HD23 LEU 104 -13.951 5.019 4.663 10 H LEU 104 HN LEU 104 -13.782 3.084 0.165 11 HB3 LEU 104 HB1 LEU 104 -14.493 3.043 2.447 No H/Q in entry = 11 In of MODEL 5 1 HA PRO 105 HA PRO 105 -13.915 -1.328 3.426 2 HB2 PRO 105 HB2 PRO 105 -15.673 -2.449 1.632 3 HG2 PRO 105 HG2 PRO 105 -15.614 -0.727 0.061 4 HD2 PRO 105 HD2 PRO 105 -14.958 1.443 0.618 5 HB3 PRO 105 HB1 PRO 105 -16.165 -1.365 2.941 6 HG3 PRO 105 HG1 PRO 105 -16.984 -0.213 1.070 7 HD3 PRO 105 HD1 PRO 105 -15.691 1.347 2.235 No H/Q in entry = 7 In of MODEL 5 1 HA GLU 106 HA GLU 106 -12.249 -3.422 -0.599 2 HB2 GLU 106 HB2 GLU 106 -11.347 -0.730 -1.619 3 HG2 GLU 106 HG2 GLU 106 -13.738 -1.168 -2.022 4 H GLU 106 HN GLU 106 -13.225 -0.867 0.011 5 HB3 GLU 106 HB1 GLU 106 -10.962 -2.275 -2.357 6 HG3 GLU 106 HG1 GLU 106 -12.776 -1.067 -3.495 No H/Q in entry = 6 In of MODEL 5 1 HA LEU 107 HA LEU 107 -8.046 -1.565 0.806 2 HB2 LEU 107 HB2 LEU 107 -9.394 0.545 2.484 3 HG LEU 107 HG LEU 107 -9.168 1.087 0.044 4 HD11 LEU 107 HD11 LEU 107 -9.253 2.807 1.796 5 HD13 LEU 107 HD12 LEU 107 -8.225 3.290 0.447 6 HD12 LEU 107 HD13 LEU 107 -7.498 2.724 1.952 7 HD22 LEU 107 HD21 LEU 107 -7.109 -0.134 -0.385 8 HD21 LEU 107 HD22 LEU 107 -6.233 0.931 0.715 9 HD23 LEU 107 HD23 LEU 107 -6.914 1.575 -0.779 10 H LEU 107 HN LEU 107 -10.691 -0.561 0.759 11 HB3 LEU 107 HB1 LEU 107 -7.674 0.214 2.507 No H/Q in entry = 11 In of MODEL 5 1 HA MET 108 HA MET 108 -9.066 -2.627 5.358 2 HB2 MET 108 HB2 MET 108 -11.124 -2.939 6.530 3 HG2 MET 108 HG2 MET 108 -12.543 -2.183 3.993 4 HE1 MET 108 HE1 MET 108 -12.592 -0.164 6.457 5 HE3 MET 108 HE2 MET 108 -14.322 0.155 6.588 6 HE2 MET 108 HE3 MET 108 -13.561 0.059 4.999 7 H MET 108 HN MET 108 -10.609 -1.478 3.259 8 HB3 MET 108 HB1 MET 108 -11.081 -1.348 5.787 9 HG3 MET 108 HG1 MET 108 -12.612 -3.747 4.802 No H/Q in entry = 9 In of MODEL 5 1 HA ALA 109 HA ALA 109 -10.957 -6.680 3.869 2 HB3 ALA 109 HB1 ALA 109 -11.697 -7.406 1.623 3 HB2 ALA 109 HB2 ALA 109 -11.393 -5.775 1.018 4 HB1 ALA 109 HB3 ALA 109 -12.642 -6.047 2.232 5 H ALA 109 HN ALA 109 -11.021 -4.057 2.788 No H/Q in entry = 5 In of MODEL 5 1 HA GLU 110 HA GLU 110 -7.256 -7.290 0.957 2 HB2 GLU 110 HB2 GLU 110 -6.812 -4.325 0.539 3 HG2 GLU 110 HG2 GLU 110 -7.421 -6.524 -1.424 4 H GLU 110 HN GLU 110 -8.974 -5.054 1.417 5 HB3 GLU 110 HB1 GLU 110 -5.677 -5.564 0.027 6 HG3 GLU 110 HG1 GLU 110 -8.497 -5.209 -0.957 No H/Q in entry = 6 In of MODEL 5 1 HA LYS 111 HA LYS 111 -4.712 -4.857 4.246 2 HB2 LYS 111 HB2 LYS 111 -5.849 -2.848 4.693 3 HG2 LYS 111 HG2 LYS 111 -5.982 -4.442 7.234 4 HD2 LYS 111 HD2 LYS 111 -5.899 -1.463 6.794 5 HE2 LYS 111 HE2 LYS 111 -4.723 -2.071 8.810 6 HZ3 LYS 111 HZ1 LYS 111 -7.197 -3.493 9.637 7 HZ2 LYS 111 HZ2 LYS 111 -5.806 -3.268 10.580 8 HZ1 LYS 111 HZ3 LYS 111 -5.743 -4.251 9.198 9 H LYS 111 HN LYS 111 -7.247 -4.539 3.113 10 HB3 LYS 111 HB1 LYS 111 -7.275 -3.682 5.286 11 HG3 LYS 111 HG1 LYS 111 -4.600 -3.507 6.651 12 HD3 LYS 111 HD1 LYS 111 -7.316 -2.376 7.306 13 HE3 LYS 111 HE1 LYS 111 -6.270 -1.322 9.206 No H/Q in entry = 13 In of MODEL 5 1 HA ASP 112 HA ASP 112 -6.721 -7.541 7.558 2 HB2 ASP 112 HB2 ASP 112 -9.112 -6.968 7.366 3 H ASP 112 HN ASP 112 -7.830 -6.226 5.296 4 HB3 ASP 112 HB1 ASP 112 -9.287 -8.153 6.076 No H/Q in entry = 4 In of MODEL 5 1 HA SER 113 HA SER 113 -6.640 -11.249 4.753 2 HB2 SER 113 HB2 SER 113 -7.080 -9.779 2.152 3 HG SER 113 HG SER 113 -8.953 -9.653 3.251 4 H SER 113 HN SER 113 -7.063 -8.425 4.211 5 HB3 SER 113 HB1 SER 113 -7.051 -11.528 2.348 No H/Q in entry = 5 In of MODEL 5 1 HA LEU 114 HA LEU 114 -2.803 -9.827 2.345 2 HB2 LEU 114 HB2 LEU 114 -3.378 -7.338 2.567 3 HG LEU 114 HG LEU 114 -0.528 -8.286 2.387 4 HD13 LEU 114 HD11 LEU 114 -1.956 -8.800 0.494 5 HD12 LEU 114 HD12 LEU 114 -0.793 -7.548 0.044 6 HD11 LEU 114 HD13 LEU 114 -2.468 -7.115 0.391 7 HD21 LEU 114 HD21 LEU 114 -0.600 -6.019 3.403 8 HD23 LEU 114 HD22 LEU 114 -1.453 -5.456 1.968 9 HD22 LEU 114 HD23 LEU 114 0.191 -6.081 1.830 10 H LEU 114 HN LEU 114 -4.713 -8.555 4.057 11 HB3 LEU 114 HB1 LEU 114 -2.338 -7.347 3.978 No H/Q in entry = 11 In of MODEL 5 1 HA ASP 115 HA ASP 115 -0.480 -11.806 5.393 2 HB2 ASP 115 HB2 ASP 115 0.316 -12.771 3.202 3 H ASP 115 HN ASP 115 -0.768 -10.574 2.839 4 HB3 ASP 115 HB1 ASP 115 1.604 -11.571 3.212 No H/Q in entry = 4 In of MODEL 5 1 HA PRO 116 HA PRO 116 1.391 -8.452 7.538 2 HB2 PRO 116 HB2 PRO 116 2.586 -9.872 9.544 3 HG2 PRO 116 HG2 PRO 116 2.319 -12.002 8.647 4 HD2 PRO 116 HD2 PRO 116 0.770 -12.455 6.980 5 HB3 PRO 116 HB1 PRO 116 0.853 -9.527 9.484 6 HG3 PRO 116 HG1 PRO 116 0.822 -11.856 9.589 7 HD3 PRO 116 HD1 PRO 116 -0.462 -11.403 7.708 No H/Q in entry = 7 In of MODEL 5 1 HA SER 117 HA SER 117 5.846 -10.220 6.941 2 HB2 SER 117 HB2 SER 117 5.239 -12.379 5.810 3 HG SER 117 HG SER 117 7.278 -12.474 5.404 4 H SER 117 HN SER 117 3.269 -11.034 6.197 5 HB3 SER 117 HB1 SER 117 5.070 -11.483 4.304 No H/Q in entry = 5 In of MODEL 5 1 HA PHE 118 HA PHE 118 5.644 -7.202 3.447 2 HB2 PHE 118 HB2 PHE 118 2.658 -7.277 2.936 3 HD1 PHE 118 HD1 PHE 118 2.575 -9.735 2.953 4 HD2 PHE 118 HD2 PHE 118 5.161 -7.590 0.349 5 HE1 PHE 118 HE1 PHE 118 2.846 -11.746 1.578 6 HE2 PHE 118 HE2 PHE 118 5.435 -9.595 -1.042 7 HZ PHE 118 HZ PHE 118 4.279 -11.685 -0.430 8 H PHE 118 HN PHE 118 3.594 -8.849 4.724 9 HB3 PHE 118 HB1 PHE 118 3.862 -6.438 1.964 No H/Q in entry = 9 In of MODEL 5 1 HA THR 119 HA THR 119 4.461 -4.796 7.058 2 HB THR 119 HB THR 119 7.248 -3.957 6.255 3 HG1 THR 119 HG1 THR 119 6.175 -5.889 7.966 4 HG22 THR 119 HG21 THR 119 5.638 -3.213 8.701 5 HG21 THR 119 HG22 THR 119 6.068 -2.133 7.373 6 HG23 THR 119 HG23 THR 119 7.329 -2.802 8.413 7 H THR 119 HN THR 119 6.212 -5.996 5.257 No H/Q in entry = 7 In of MODEL 5 1 HA HIS 120 HA HIS 120 4.984 -0.808 4.662 2 HB2 HIS 120 HB2 HIS 120 6.233 -1.963 2.172 3 HD1 HIS 120 HD1 HIS 120 7.078 0.334 5.098 4 HD2 HIS 120 HD2 HIS 120 8.818 -2.498 2.615 5 HE1 HIS 120 HE1 HIS 120 9.420 0.056 5.939 6 HE2 HIS 120 HE2 HIS 120 10.363 -1.842 4.587 7 H HIS 120 HN HIS 120 6.028 -3.422 4.174 8 HB3 HIS 120 HB1 HIS 120 5.946 -0.255 2.475 No H/Q in entry = 8 In of MODEL 5 1 HA ALA 121 HA ALA 121 2.002 -2.212 1.126 2 HB3 ALA 121 HB1 ALA 121 3.030 -4.428 0.582 3 HB1 ALA 121 HB2 ALA 121 1.269 -4.403 0.549 4 HB2 ALA 121 HB3 ALA 121 2.116 -5.110 1.925 5 H ALA 121 HN ALA 121 4.139 -3.444 2.452 No H/Q in entry = 5 In of MODEL 5 1 HA MET 122 HA MET 122 -0.626 -3.765 4.753 2 HB2 MET 122 HB2 MET 122 1.847 -4.388 6.321 3 HG2 MET 122 HG2 MET 122 0.435 -6.025 4.845 4 HE1 MET 122 HE1 MET 122 -2.136 -5.256 4.627 5 HE3 MET 122 HE2 MET 122 -2.014 -4.171 6.014 6 HE2 MET 122 HE3 MET 122 -3.307 -5.369 5.940 7 H MET 122 HN MET 122 2.150 -3.914 4.168 8 HB3 MET 122 HB1 MET 122 0.317 -4.172 7.160 9 HG3 MET 122 HG1 MET 122 1.149 -6.533 6.374 No H/Q in entry = 9 In of MODEL 5 1 HA GLN 123 HA GLN 123 0.761 0.010 7.235 2 HB2 GLN 123 HB2 GLN 123 3.110 0.060 7.498 3 HG2 GLN 123 HG2 GLN 123 2.410 2.450 5.817 4 HE21 GLN 123 HE21 GLN 123 4.301 2.616 4.654 5 HE22 GLN 123 HE22 GLN 123 5.815 3.001 5.390 6 H GLN 123 HN GLN 123 2.156 -1.745 5.501 7 HB3 GLN 123 HB1 GLN 123 3.387 0.131 5.763 8 HG3 GLN 123 HG1 GLN 123 2.471 2.344 7.573 No H/Q in entry = 8 In of MODEL 5 1 HA LEU 124 HA LEU 124 0.403 2.767 3.538 2 HB2 LEU 124 HB2 LEU 124 0.782 0.627 1.440 3 HG LEU 124 HG LEU 124 2.849 1.579 2.619 4 HD11 LEU 124 HD11 LEU 124 2.550 1.890 -0.368 5 HD13 LEU 124 HD12 LEU 124 2.976 0.411 0.493 6 HD12 LEU 124 HD13 LEU 124 4.081 1.786 0.501 7 HD21 LEU 124 HD21 LEU 124 2.027 4.000 1.020 8 HD23 LEU 124 HD22 LEU 124 3.585 3.779 1.814 9 HD22 LEU 124 HD23 LEU 124 2.113 3.883 2.779 10 H LEU 124 HN LEU 124 1.473 0.196 3.770 11 HB3 LEU 124 HB1 LEU 124 0.365 2.292 1.072 No H/Q in entry = 11 In of MODEL 5 1 HA LEU 125 HA LEU 125 -3.638 0.394 2.449 2 HB2 LEU 125 HB2 LEU 125 -2.565 -1.960 3.982 3 HG LEU 125 HG LEU 125 -2.420 -1.976 1.468 4 HD13 LEU 125 HD11 LEU 125 -3.168 -4.271 1.312 5 HD12 LEU 125 HD12 LEU 125 -4.178 -4.069 2.738 6 HD11 LEU 125 HD13 LEU 125 -2.423 -4.000 2.886 7 HD22 LEU 125 HD21 LEU 125 -4.534 -0.836 0.998 8 HD21 LEU 125 HD22 LEU 125 -5.422 -2.172 1.736 9 HD23 LEU 125 HD23 LEU 125 -4.502 -2.436 0.253 10 H LEU 125 HN LEU 125 -1.053 -0.401 3.365 11 HB3 LEU 125 HB1 LEU 125 -4.293 -1.733 3.821 No H/Q in entry = 11 In of MODEL 5 1 HA THR 126 HA THR 126 -4.367 0.641 7.119 2 HB THR 126 HB THR 126 -1.465 1.223 7.759 3 HG1 THR 126 HG1 THR 126 -1.874 -0.982 7.394 4 HG21 THR 126 HG21 THR 126 -3.854 1.073 9.599 5 HG23 THR 126 HG22 THR 126 -2.909 2.516 9.225 6 HG22 THR 126 HG23 THR 126 -2.172 1.184 10.120 7 H THR 126 HN THR 126 -2.045 0.239 5.560 No H/Q in entry = 7 In of MODEL 5 1 HA ALA 127 HA ALA 127 -2.698 5.143 7.134 2 HB3 ALA 127 HB1 ALA 127 -1.144 4.855 4.573 3 HB1 ALA 127 HB2 ALA 127 -0.471 4.824 6.203 4 HB2 ALA 127 HB3 ALA 127 -1.230 6.294 5.589 5 H ALA 127 HN ALA 127 -1.841 2.797 5.895 No H/Q in entry = 5 In of MODEL 5 1 HA GLU 128 HA GLU 128 -4.764 6.131 2.925 2 HB2 GLU 128 HB2 GLU 128 -3.913 4.143 1.593 3 HG2 GLU 128 HG2 GLU 128 -5.754 4.154 -0.065 4 H GLU 128 HN GLU 128 -3.372 3.901 3.864 5 HB3 GLU 128 HB1 GLU 128 -5.360 3.294 2.103 6 HG3 GLU 128 HG1 GLU 128 -6.712 5.101 1.068 No H/Q in entry = 6 In of MODEL 5 1 HA ILE 129 HA ILE 129 -8.620 3.880 4.596 2 HB ILE 129 HB ILE 129 -7.035 2.348 6.654 3 HD13 ILE 129 HD11 ILE 129 -7.831 -0.747 4.746 4 HD12 ILE 129 HD12 ILE 129 -8.653 -0.210 6.213 5 HD11 ILE 129 HD13 ILE 129 -6.894 -0.115 6.102 6 H ILE 129 HN ILE 129 -5.872 3.300 4.683 No H/Q in entry = 6 In of MODEL 5 1 HA GLU 130 HA GLU 130 -7.647 6.229 8.737 2 HB2 GLU 130 HB2 GLU 130 -4.821 6.750 7.803 3 HG2 GLU 130 HG2 GLU 130 -5.818 5.203 10.185 4 H GLU 130 HN GLU 130 -6.089 4.817 6.869 5 HB3 GLU 130 HB1 GLU 130 -5.557 7.447 9.237 6 HG3 GLU 130 HG1 GLU 130 -5.054 4.519 8.751 No H/Q in entry = 6 In of MODEL 5 1 HA LYS 131 HA LYS 131 -6.643 9.852 5.658 2 HB2 LYS 131 HB2 LYS 131 -5.147 8.831 4.101 3 HG2 LYS 131 HG2 LYS 131 -7.516 9.799 2.522 4 HD2 LYS 131 HD2 LYS 131 -4.635 9.705 1.672 5 HE2 LYS 131 HE2 LYS 131 -7.234 10.020 0.195 6 HZ1 LYS 131 HZ1 LYS 131 -5.535 8.590 -0.949 7 HZ3 LYS 131 HZ2 LYS 131 -4.521 9.952 -1.004 8 HZ2 LYS 131 HZ3 LYS 131 -6.019 9.973 -1.802 9 H LYS 131 HN LYS 131 -6.250 7.077 5.652 10 HB3 LYS 131 HB1 LYS 131 -6.418 7.804 3.459 11 HG3 LYS 131 HG1 LYS 131 -6.162 10.780 3.098 12 HD3 LYS 131 HD1 LYS 131 -5.741 8.372 1.349 13 HE3 LYS 131 HE1 LYS 131 -5.944 11.212 0.368 No H/Q in entry = 13 In of MODEL 5 1 HA ILE 132 HA ILE 132 -10.684 9.011 3.350 2 HB ILE 132 HB ILE 132 -11.091 6.112 4.049 3 HD13 ILE 132 HD11 ILE 132 -9.647 5.045 0.733 4 HD12 ILE 132 HD12 ILE 132 -11.334 5.540 0.892 5 HD11 ILE 132 HD13 ILE 132 -10.613 4.464 2.089 6 H ILE 132 HN ILE 132 -8.652 7.254 4.253 No H/Q in entry = 6 In of MODEL 5 1 HA GLN 133 HA GLN 133 -12.900 7.654 7.261 2 HB2 GLN 133 HB2 GLN 133 -10.456 6.518 8.602 3 HG2 GLN 133 HG2 GLN 133 -13.036 5.276 7.676 4 HE21 GLN 133 HE21 GLN 133 -13.310 3.096 8.108 5 HE22 GLN 133 HE22 GLN 133 -12.459 2.301 9.384 6 H GLN 133 HN GLN 133 -10.272 7.112 6.299 7 HB3 GLN 133 HB1 GLN 133 -12.004 6.697 9.416 8 HG3 GLN 133 HG1 GLN 133 -11.436 5.028 6.983 No H/Q in entry = 8 In of MODEL 5 1 HA LYS 134 HA LYS 134 -10.796 10.989 9.706 2 HB2 LYS 134 HB2 LYS 134 -8.749 12.250 9.459 3 HG2 LYS 134 HG2 LYS 134 -8.125 10.633 7.002 4 HD2 LYS 134 HD2 LYS 134 -6.220 11.346 8.471 5 HE2 LYS 134 HE2 LYS 134 -7.235 13.492 9.194 6 HZ1 LYS 134 HZ1 LYS 134 -8.107 14.241 7.055 7 HZ3 LYS 134 HZ2 LYS 134 -6.529 14.401 6.453 8 HZ2 LYS 134 HZ3 LYS 134 -7.054 15.393 7.721 9 H LYS 134 HN LYS 134 -9.891 9.374 7.481 10 HB3 LYS 134 HB1 LYS 134 -8.381 10.534 9.389 11 HG3 LYS 134 HG1 LYS 134 -8.650 12.317 6.980 12 HD3 LYS 134 HD1 LYS 134 -6.170 11.968 6.820 13 HE3 LYS 134 HE1 LYS 134 -5.600 13.657 8.557 No H/Q in entry = 13 In of MODEL 5 1 HA3 GLY 135 HA2 GLY 135 -11.621 12.754 4.764 2 H GLY 135 HN GLY 135 -10.627 11.252 6.202 3 HA2 GLY 135 HA1 GLY 135 -12.568 13.333 6.130 No H/Q in entry = 3 In of MODEL 5 1 H1 GLY 95 HT2 GLY 95 9.351 5.602 6.607 2 H2 GLY 95 HT1 GLY 95 9.015 3.969 6.916 3 H3 GLY 95 HT3 GLY 95 8.064 4.838 5.812 4 HA2 GLY 95 HA2 GLY 95 7.042 4.448 8.046 5 HA3 GLY 95 HA1 GLY 95 7.059 6.107 7.466 No H/Q in entry = 5 In of MODEL 5 1 HA ALA 96 HA ALA 96 8.752 6.452 11.470 2 HB2 ALA 96 HB1 ALA 96 8.223 5.215 13.491 3 HB1 ALA 96 HB2 ALA 96 7.887 3.771 12.536 4 HB3 ALA 96 HB3 ALA 96 6.862 5.195 12.372 5 H ALA 96 HN ALA 96 7.746 4.122 10.058 No H/Q in entry = 5 In of MODEL 5 1 HA MET 97 HA MET 97 12.373 3.799 12.102 2 HB2 MET 97 HB2 MET 97 11.045 1.953 13.045 3 HG2 MET 97 HG2 MET 97 13.562 0.966 11.721 4 HE2 MET 97 HE1 MET 97 12.469 -1.434 11.184 5 HE1 MET 97 HE2 MET 97 10.919 -0.831 11.770 6 HE3 MET 97 HE3 MET 97 11.553 -2.362 12.373 7 H MET 97 HN MET 97 9.911 3.244 10.567 8 HB3 MET 97 HB1 MET 97 11.115 1.116 11.502 9 HG3 MET 97 HG1 MET 97 13.449 1.745 13.298 No H/Q in entry = 9 In of MODEL 5 1 HA GLU 98 HA GLU 98 13.486 2.031 7.959 2 HB2 GLU 98 HB2 GLU 98 11.201 3.007 6.285 3 HG2 GLU 98 HG2 GLU 98 10.454 0.499 6.618 4 H GLU 98 HN GLU 98 11.093 3.267 9.051 5 HB3 GLU 98 HB1 GLU 98 12.288 1.654 5.999 6 HG3 GLU 98 HG1 GLU 98 11.150 0.770 8.217 No H/Q in entry = 6 In of MODEL 5 1 HA PRO 99 HA PRO 99 15.125 6.004 6.794 2 HB2 PRO 99 HB2 PRO 99 17.418 5.100 5.711 3 HG2 PRO 99 HG2 PRO 99 16.980 2.841 5.545 4 HD2 PRO 99 HD2 PRO 99 15.126 1.938 6.531 5 HB3 PRO 99 HB1 PRO 99 17.158 5.126 7.460 6 HG3 PRO 99 HG1 PRO 99 17.633 2.877 7.193 7 HD3 PRO 99 HD1 PRO 99 15.577 2.544 8.131 No H/Q in entry = 7 In of MODEL 5 1 HA GLU 100 HA GLU 100 13.509 6.447 2.948 2 HB2 GLU 100 HB2 GLU 100 14.287 8.746 3.493 3 HG2 GLU 100 HG2 GLU 100 14.565 8.193 0.553 4 H GLU 100 HN GLU 100 15.455 7.133 4.827 5 HB3 GLU 100 HB1 GLU 100 15.772 8.415 2.615 6 HG3 GLU 100 HG1 GLU 100 13.024 8.348 1.398 No H/Q in entry = 6 In of MODEL 5 1 HA ASN 101 HA ASN 101 17.198 5.527 0.056 2 HB2 ASN 101 HB2 ASN 101 19.104 6.366 1.423 3 HD21 ASN 101 HD21 ASN 101 18.466 5.327 -1.171 4 HD22 ASN 101 HD22 ASN 101 19.884 4.536 -1.768 5 H ASN 101 HN ASN 101 17.036 6.475 2.612 6 HB3 ASN 101 HB1 ASN 101 19.148 4.806 2.239 No H/Q in entry = 6 In of MODEL 5 1 HA LYS 102 HA LYS 102 17.043 1.164 1.374 2 HB2 LYS 102 HB2 LYS 102 18.021 1.500 3.720 3 HG2 LYS 102 HG2 LYS 102 16.331 -0.932 3.205 4 HD2 LYS 102 HD2 LYS 102 18.084 -2.046 4.619 5 HE2 LYS 102 HE2 LYS 102 17.143 -1.239 6.785 6 HZ2 LYS 102 HZ1 LYS 102 15.938 -2.901 5.546 7 HZ1 LYS 102 HZ2 LYS 102 15.181 -1.715 4.610 8 HZ3 LYS 102 HZ3 LYS 102 14.839 -1.823 6.262 9 H LYS 102 HN LYS 102 16.642 3.590 2.948 10 HB3 LYS 102 HB1 LYS 102 16.381 1.256 4.307 11 HG3 LYS 102 HG1 LYS 102 17.993 -0.687 2.672 12 HD3 LYS 102 HD1 LYS 102 18.623 -0.434 5.091 13 HE3 LYS 102 HE1 LYS 102 16.310 0.029 5.887 No H/Q in entry = 13 In of MODEL 5 1 HA TYR 103 HA TYR 103 12.474 1.345 2.918 2 HB2 TYR 103 HB2 TYR 103 12.396 3.624 3.769 3 HD1 TYR 103 HD1 TYR 103 10.355 1.908 4.161 4 HD2 TYR 103 HD2 TYR 103 10.470 5.002 1.252 5 HE1 TYR 103 HE1 TYR 103 7.898 1.943 4.108 6 HE2 TYR 103 HE2 TYR 103 8.017 5.049 1.178 7 HH TYR 103 HH TYR 103 6.127 3.741 1.732 8 H TYR 103 HN TYR 103 14.572 3.172 2.572 9 HB3 TYR 103 HB1 TYR 103 12.445 4.268 2.136 No H/Q in entry = 9 In of MODEL 5 1 HA LEU 104 HA LEU 104 11.585 2.426 -1.660 2 HB2 LEU 104 HB2 LEU 104 13.292 4.035 -2.189 3 HG LEU 104 HG LEU 104 13.457 1.835 -4.254 4 HD11 LEU 104 HD11 LEU 104 11.156 2.474 -3.793 5 HD13 LEU 104 HD12 LEU 104 11.664 3.044 -5.384 6 HD12 LEU 104 HD13 LEU 104 11.570 4.175 -4.032 7 HD22 LEU 104 HD21 LEU 104 14.019 3.647 -5.795 8 HD21 LEU 104 HD22 LEU 104 15.216 3.507 -4.506 9 HD23 LEU 104 HD23 LEU 104 14.010 4.795 -4.456 10 H LEU 104 HN LEU 104 13.806 2.820 0.027 11 HB3 LEU 104 HB1 LEU 104 14.515 2.784 -2.254 No H/Q in entry = 11 In of MODEL 5 1 HA PRO 105 HA PRO 105 13.859 -1.564 -3.279 2 HB2 PRO 105 HB2 PRO 105 15.595 -2.737 -1.498 3 HG2 PRO 105 HG2 PRO 105 15.567 -1.028 0.092 4 HD2 PRO 105 HD2 PRO 105 14.950 1.157 -0.442 5 HB3 PRO 105 HB1 PRO 105 16.107 -1.649 -2.796 6 HG3 PRO 105 HG1 PRO 105 16.944 -0.529 -0.914 7 HD3 PRO 105 HD1 PRO 105 15.684 1.069 -2.059 No H/Q in entry = 7 In of MODEL 5 1 HA GLU 106 HA GLU 106 12.155 -3.666 0.731 2 HB2 GLU 106 HB2 GLU 106 11.311 -0.965 1.774 3 HG2 GLU 106 HG2 GLU 106 13.692 -1.459 2.167 4 H GLU 106 HN GLU 106 13.181 -1.127 0.140 5 HB3 GLU 106 HB1 GLU 106 10.892 -2.509 2.497 6 HG3 GLU 106 HG1 GLU 106 12.736 -1.348 3.642 No H/Q in entry = 6 In of MODEL 5 1 HA LEU 107 HA LEU 107 7.984 -1.714 -0.656 2 HB2 LEU 107 HB2 LEU 107 9.369 0.384 -2.320 3 HG LEU 107 HG LEU 107 9.161 0.904 0.128 4 HD11 LEU 107 HD11 LEU 107 9.275 2.644 -1.600 5 HD13 LEU 107 HD12 LEU 107 8.254 3.129 -0.247 6 HD12 LEU 107 HD13 LEU 107 7.519 2.593 -1.757 7 HD22 LEU 107 HD21 LEU 107 7.078 -0.274 0.555 8 HD21 LEU 107 HD22 LEU 107 6.221 0.815 -0.536 9 HD23 LEU 107 HD23 LEU 107 6.917 1.434 0.962 10 H LEU 107 HN LEU 107 10.648 -0.760 -0.600 11 HB3 LEU 107 HB1 LEU 107 7.643 0.082 -2.340 No H/Q in entry = 11 In of MODEL 5 1 HA MET 108 HA MET 108 8.987 -2.753 -5.215 2 HB2 MET 108 HB2 MET 108 11.035 -3.098 -6.388 3 HG2 MET 108 HG2 MET 108 12.472 -2.388 -3.850 4 HE1 MET 108 HE1 MET 108 12.557 -0.342 -6.291 5 HE3 MET 108 HE2 MET 108 14.291 -0.057 -6.427 6 HE2 MET 108 HE3 MET 108 13.534 -0.153 -4.835 7 H MET 108 HN MET 108 10.549 -1.657 -3.102 8 HB3 MET 108 HB1 MET 108 11.022 -1.510 -5.638 9 HG3 MET 108 HG1 MET 108 12.512 -3.944 -4.676 No H/Q in entry = 9 In of MODEL 5 1 HA ALA 109 HA ALA 109 10.799 -6.857 -3.767 2 HB2 ALA 109 HB1 ALA 109 11.527 -7.622 -1.533 3 HB3 ALA 109 HB2 ALA 109 11.258 -5.994 -0.905 4 HB1 ALA 109 HB3 ALA 109 12.501 -6.275 -2.123 5 H ALA 109 HN ALA 109 10.915 -4.244 -2.656 No H/Q in entry = 5 In of MODEL 5 1 HA GLU 110 HA GLU 110 7.088 -7.422 -0.854 2 HB2 GLU 110 HB2 GLU 110 6.697 -4.455 -0.411 3 HG2 GLU 110 HG2 GLU 110 7.265 -6.679 1.535 4 H GLU 110 HN GLU 110 8.852 -5.215 -1.290 5 HB3 GLU 110 HB1 GLU 110 5.539 -5.679 0.087 6 HG3 GLU 110 HG1 GLU 110 8.366 -5.378 1.078 No H/Q in entry = 6 In of MODEL 5 1 HA LYS 111 HA LYS 111 4.591 -4.913 -4.118 2 HB2 LYS 111 HB2 LYS 111 5.765 -2.924 -4.551 3 HG2 LYS 111 HG2 LYS 111 5.870 -4.498 -7.103 4 HD2 LYS 111 HD2 LYS 111 5.832 -1.525 -6.634 5 HE2 LYS 111 HE2 LYS 111 4.636 -2.090 -8.652 6 HZ3 LYS 111 HZ1 LYS 111 7.086 -3.548 -9.496 7 HZ2 LYS 111 HZ2 LYS 111 5.702 -3.288 -10.438 8 HZ1 LYS 111 HZ3 LYS 111 5.616 -4.282 -9.069 9 H LYS 111 HN LYS 111 7.127 -4.653 -2.985 10 HB3 LYS 111 HB1 LYS 111 7.174 -3.782 -5.149 11 HG3 LYS 111 HG1 LYS 111 4.502 -3.550 -6.513 12 HD3 LYS 111 HD1 LYS 111 7.232 -2.454 -7.163 13 HE3 LYS 111 HE1 LYS 111 6.195 -1.367 -9.046 No H/Q in entry = 13 In of MODEL 5 1 HA ASP 112 HA ASP 112 6.542 -7.601 -7.460 2 HB2 ASP 112 HB2 ASP 112 8.947 -7.079 -7.264 3 H ASP 112 HN ASP 112 7.682 -6.329 -5.189 4 HB3 ASP 112 HB1 ASP 112 9.096 -8.282 -5.990 No H/Q in entry = 4 In of MODEL 5 1 HA SER 113 HA SER 113 6.392 -11.340 -4.682 2 HB2 SER 113 HB2 SER 113 6.866 -9.898 -2.072 3 HG SER 113 HG SER 113 8.745 -9.803 -3.160 4 H SER 113 HN SER 113 6.875 -8.528 -4.123 5 HB3 SER 113 HB1 SER 113 6.805 -11.646 -2.280 No H/Q in entry = 5 In of MODEL 5 1 HA LEU 114 HA LEU 114 2.589 -9.859 -2.262 2 HB2 LEU 114 HB2 LEU 114 3.209 -7.387 -2.459 3 HG LEU 114 HG LEU 114 0.343 -8.282 -2.289 4 HD13 LEU 114 HD11 LEU 114 1.761 -8.835 -0.400 5 HD12 LEU 114 HD12 LEU 114 0.622 -7.565 0.060 6 HD11 LEU 114 HD13 LEU 114 2.304 -7.161 -0.286 7 HD21 LEU 114 HD21 LEU 114 0.454 -6.007 -3.283 8 HD23 LEU 114 HD22 LEU 114 1.326 -5.476 -1.845 9 HD22 LEU 114 HD23 LEU 114 -0.330 -6.068 -1.707 10 H LEU 114 HN LEU 114 4.527 -8.614 -3.953 11 HB3 LEU 114 HB1 LEU 114 2.173 -7.358 -3.873 No H/Q in entry = 11 In of MODEL 5 1 HA ASP 115 HA ASP 115 0.225 -11.769 -5.327 2 HB2 ASP 115 HB2 ASP 115 -0.581 -12.745 -3.147 3 H ASP 115 HN ASP 115 0.541 -10.568 -2.760 4 HB3 ASP 115 HB1 ASP 115 -1.844 -11.520 -3.135 No H/Q in entry = 4 In of MODEL 5 1 HA PRO 116 HA PRO 116 -1.581 -8.363 -7.437 2 HB2 PRO 116 HB2 PRO 116 -2.801 -9.737 -9.461 3 HG2 PRO 116 HG2 PRO 116 -2.582 -11.879 -8.585 4 HD2 PRO 116 HD2 PRO 116 -1.041 -12.381 -6.919 5 HB3 PRO 116 HB1 PRO 116 -1.061 -9.429 -9.397 6 HG3 PRO 116 HG1 PRO 116 -1.080 -11.757 -9.523 7 HD3 PRO 116 HD1 PRO 116 0.215 -11.348 -7.636 No H/Q in entry = 7 In of MODEL 5 1 HA SER 117 HA SER 117 -6.074 -10.044 -6.853 2 HB2 SER 117 HB2 SER 117 -5.501 -12.231 -5.748 3 HG SER 117 HG SER 117 -7.548 -12.287 -5.372 4 H SER 117 HN SER 117 -3.514 -10.924 -6.131 5 HB3 SER 117 HB1 SER 117 -5.326 -11.352 -4.231 No H/Q in entry = 5 In of MODEL 5 1 HA PHE 118 HA PHE 118 -5.805 -7.074 -3.333 2 HB2 PHE 118 HB2 PHE 118 -2.823 -7.206 -2.827 3 HD1 PHE 118 HD1 PHE 118 -2.787 -9.663 -2.862 4 HD2 PHE 118 HD2 PHE 118 -5.335 -7.488 -0.246 5 HE1 PHE 118 HE1 PHE 118 -3.093 -11.677 -1.502 6 HE2 PHE 118 HE2 PHE 118 -5.641 -9.500 1.129 7 HZ PHE 118 HZ PHE 118 -4.524 -11.603 0.504 8 H PHE 118 HN PHE 118 -3.787 -8.754 -4.616 9 HB3 PHE 118 HB1 PHE 118 -4.010 -6.353 -1.848 No H/Q in entry = 9 In of MODEL 5 1 HA THR 119 HA THR 119 -4.584 -4.655 -6.925 2 HB THR 119 HB THR 119 -7.351 -3.762 -6.109 3 HG1 THR 119 HG1 THR 119 -6.337 -5.724 -7.806 4 HG22 THR 119 HG21 THR 119 -5.726 -3.035 -8.551 5 HG21 THR 119 HG22 THR 119 -6.136 -1.955 -7.216 6 HG23 THR 119 HG23 THR 119 -7.408 -2.589 -8.262 7 H THR 119 HN THR 119 -6.356 -5.837 -5.128 No H/Q in entry = 7 In of MODEL 5 1 HA HIS 120 HA HIS 120 -5.027 -0.679 -4.497 2 HB2 HIS 120 HB2 HIS 120 -6.300 -1.831 -2.017 3 HD1 HIS 120 HD1 HIS 120 -7.113 0.509 -4.919 4 HD2 HIS 120 HD2 HIS 120 -8.890 -2.324 -2.462 5 HE1 HIS 120 HE1 HIS 120 -9.462 0.270 -5.761 6 HE2 HIS 120 HE2 HIS 120 -10.446 -1.604 -4.397 7 H HIS 120 HN HIS 120 -6.120 -3.278 -4.028 8 HB3 HIS 120 HB1 HIS 120 -5.982 -0.126 -2.308 No H/Q in entry = 8 In of MODEL 5 1 HA ALA 121 HA ALA 121 -2.078 -2.172 -0.975 2 HB1 ALA 121 HB1 ALA 121 -3.147 -4.369 -0.452 3 HB3 ALA 121 HB2 ALA 121 -1.385 -4.379 -0.417 4 HB2 ALA 121 HB3 ALA 121 -2.245 -5.057 -1.800 5 H ALA 121 HN ALA 121 -4.233 -3.354 -2.313 No H/Q in entry = 5 In of MODEL 5 1 HA MET 122 HA MET 122 0.529 -3.737 -4.616 2 HB2 MET 122 HB2 MET 122 -1.958 -4.303 -6.180 3 HG2 MET 122 HG2 MET 122 -0.577 -5.980 -4.724 4 HE1 MET 122 HE1 MET 122 2.009 -5.255 -4.504 5 HE3 MET 122 HE2 MET 122 1.902 -4.164 -5.886 6 HE2 MET 122 HE3 MET 122 3.176 -5.382 -5.820 7 H MET 122 HN MET 122 -2.250 -3.845 -4.031 8 HB3 MET 122 HB1 MET 122 -0.428 -4.108 -7.027 9 HG3 MET 122 HG1 MET 122 -1.302 -6.462 -6.257 No H/Q in entry = 9 In of MODEL 5 1 HA GLN 123 HA GLN 123 -0.791 0.081 -7.066 2 HB2 GLN 123 HB2 GLN 123 -3.140 0.176 -7.319 3 HG2 GLN 123 HG2 GLN 123 -2.389 2.538 -5.623 4 HE21 GLN 123 HE21 GLN 123 -4.286 2.741 -4.454 5 HE22 GLN 123 HE22 GLN 123 -5.788 3.161 -5.193 6 H GLN 123 HN GLN 123 -2.215 -1.660 -5.343 7 HB3 GLN 123 HB1 GLN 123 -3.411 0.239 -5.585 8 HG3 GLN 123 HG1 GLN 123 -2.456 2.446 -7.377 No H/Q in entry = 8 In of MODEL 5 1 HA LEU 124 HA LEU 124 -0.384 2.797 -3.347 2 HB2 LEU 124 HB2 LEU 124 -0.796 0.650 -1.259 3 HG LEU 124 HG LEU 124 -2.849 1.649 -2.433 4 HD11 LEU 124 HD11 LEU 124 -2.544 1.929 0.558 5 HD13 LEU 124 HD12 LEU 124 -2.997 0.465 -0.318 6 HD12 LEU 124 HD13 LEU 124 -4.076 1.860 -0.316 7 HD21 LEU 124 HD21 LEU 124 -1.980 4.039 -0.813 8 HD23 LEU 124 HD22 LEU 124 -3.545 3.851 -1.605 9 HD22 LEU 124 HD23 LEU 124 -2.072 3.938 -2.571 10 H LEU 124 HN LEU 124 -1.496 0.242 -3.597 11 HB3 LEU 124 HB1 LEU 124 -0.351 2.307 -0.884 No H/Q in entry = 11 In of MODEL 5 1 HA LEU 125 HA LEU 125 3.611 0.337 -2.272 2 HB2 LEU 125 HB2 LEU 125 2.494 -1.979 -3.826 3 HG LEU 125 HG LEU 125 2.354 -2.017 -1.318 4 HD13 LEU 125 HD11 LEU 125 3.063 -4.326 -1.181 5 HD12 LEU 125 HD12 LEU 125 4.070 -4.131 -2.609 6 HD11 LEU 125 HD13 LEU 125 2.314 -4.027 -2.748 7 HD22 LEU 125 HD21 LEU 125 4.485 -0.917 -0.836 8 HD21 LEU 125 HD22 LEU 125 5.355 -2.261 -1.583 9 HD23 LEU 125 HD23 LEU 125 4.426 -2.521 -0.104 10 H LEU 125 HN LEU 125 1.015 -0.400 -3.203 11 HB3 LEU 125 HB1 LEU 125 4.226 -1.789 -3.670 No H/Q in entry = 11 In of MODEL 5 1 HA THR 126 HA THR 126 4.342 0.619 -6.945 2 HB THR 126 HB THR 126 1.454 1.265 -7.577 3 HG1 THR 126 HG1 THR 126 1.849 -0.958 -7.227 4 HG21 THR 126 HG21 THR 126 3.840 1.085 -9.420 5 HG23 THR 126 HG22 THR 126 2.923 2.542 -9.034 6 HG22 THR 126 HG23 THR 126 2.160 1.233 -9.937 7 H THR 126 HN THR 126 2.017 0.236 -5.387 No H/Q in entry = 7 In of MODEL 5 1 HA ALA 127 HA ALA 127 2.762 5.148 -6.917 2 HB1 ALA 127 HB1 ALA 127 1.202 4.866 -4.359 3 HB3 ALA 127 HB2 ALA 127 0.530 4.861 -5.990 4 HB2 ALA 127 HB3 ALA 127 1.310 6.313 -5.361 5 H ALA 127 HN ALA 127 1.862 2.812 -5.688 No H/Q in entry = 5 In of MODEL 5 1 HA GLU 128 HA GLU 128 4.853 6.063 -2.701 2 HB2 GLU 128 HB2 GLU 128 3.959 4.082 -1.389 3 HG2 GLU 128 HG2 GLU 128 5.799 4.043 0.272 4 H GLU 128 HN GLU 128 3.412 3.872 -3.657 5 HB3 GLU 128 HB1 GLU 128 5.390 3.207 -1.903 6 HG3 GLU 128 HG1 GLU 128 6.771 4.986 -0.850 No H/Q in entry = 6 In of MODEL 5 1 HA ILE 129 HA ILE 129 8.665 3.752 -4.394 2 HB ILE 129 HB ILE 129 7.047 2.270 -6.465 3 HD13 ILE 129 HD11 ILE 129 7.782 -0.862 -4.589 4 HD12 ILE 129 HD12 ILE 129 8.611 -0.325 -6.053 5 HD11 ILE 129 HD13 ILE 129 6.856 -0.197 -5.934 6 H ILE 129 HN ILE 129 5.907 3.221 -4.480 No H/Q in entry = 6 In of MODEL 5 1 HA GLU 130 HA GLU 130 7.726 6.149 -8.507 2 HB2 GLU 130 HB2 GLU 130 4.914 6.724 -7.568 3 HG2 GLU 130 HG2 GLU 130 5.889 5.180 -9.961 4 H GLU 130 HN GLU 130 6.144 4.756 -6.648 5 HB3 GLU 130 HB1 GLU 130 5.669 7.420 -8.996 6 HG3 GLU 130 HG1 GLU 130 5.101 4.500 -8.538 No H/Q in entry = 6 In of MODEL 5 1 HA LYS 131 HA LYS 131 6.796 9.768 -5.404 2 HB2 LYS 131 HB2 LYS 131 5.283 8.765 -3.855 3 HG2 LYS 131 HG2 LYS 131 7.672 9.671 -2.270 4 HD2 LYS 131 HD2 LYS 131 4.791 9.624 -1.415 5 HE2 LYS 131 HE2 LYS 131 7.402 9.871 0.058 6 HZ1 LYS 131 HZ1 LYS 131 5.686 8.445 1.185 7 HZ3 LYS 131 HZ2 LYS 131 4.693 9.823 1.262 8 HZ2 LYS 131 HZ3 LYS 131 6.191 9.808 2.060 9 H LYS 131 HN LYS 131 6.351 7.003 -5.416 10 HB3 LYS 131 HB1 LYS 131 6.535 7.706 -3.225 11 HG3 LYS 131 HG1 LYS 131 6.335 10.683 -2.833 12 HD3 LYS 131 HD1 LYS 131 5.870 8.265 -1.113 13 HE3 LYS 131 HE1 LYS 131 6.129 11.083 -0.091 No H/Q in entry = 13 In of MODEL 5 1 HA ILE 132 HA ILE 132 10.829 8.835 -3.100 2 HB ILE 132 HB ILE 132 11.174 5.936 -3.830 3 HD13 ILE 132 HD11 ILE 132 9.707 4.861 -0.524 4 HD12 ILE 132 HD12 ILE 132 11.403 5.325 -0.672 5 HD11 ILE 132 HD13 ILE 132 10.666 4.274 -1.883 6 H ILE 132 HN ILE 132 8.753 7.132 -4.004 No H/Q in entry = 6 In of MODEL 5 1 HA GLN 133 HA GLN 133 13.011 7.470 -7.031 2 HB2 GLN 133 HB2 GLN 133 10.542 6.391 -8.376 3 HG2 GLN 133 HG2 GLN 133 13.100 5.096 -7.469 4 HE21 GLN 133 HE21 GLN 133 13.340 2.918 -7.918 5 HE22 GLN 133 HE22 GLN 133 12.477 2.135 -9.194 6 H GLN 133 HN GLN 133 10.375 6.969 -6.065 7 HB3 GLN 133 HB1 GLN 133 12.088 6.549 -9.194 8 HG3 GLN 133 HG1 GLN 133 11.496 4.868 -6.775 No H/Q in entry = 8 In of MODEL 5 1 HA LYS 134 HA LYS 134 10.970 10.861 -9.438 2 HB2 LYS 134 HB2 LYS 134 8.946 12.159 -9.181 3 HG2 LYS 134 HG2 LYS 134 8.286 10.533 -6.739 4 HD2 LYS 134 HD2 LYS 134 6.394 11.295 -8.200 5 HE2 LYS 134 HE2 LYS 134 7.454 13.427 -8.910 6 HZ1 LYS 134 HZ1 LYS 134 8.342 14.126 -6.759 7 HZ3 LYS 134 HZ2 LYS 134 6.769 14.332 -6.168 8 HZ2 LYS 134 HZ3 LYS 134 7.328 15.316 -7.423 9 H LYS 134 HN LYS 134 10.039 9.253 -7.213 10 HB3 LYS 134 HB1 LYS 134 8.548 10.447 -9.127 11 HG3 LYS 134 HG1 LYS 134 8.847 12.205 -6.701 12 HD3 LYS 134 HD1 LYS 134 6.358 11.911 -6.546 13 HE3 LYS 134 HE1 LYS 134 5.824 13.621 -8.268 No H/Q in entry = 13 In of MODEL 5 1 HA3 GLY 135 HA2 GLY 135 11.826 12.571 -4.484 2 H GLY 135 HN GLY 135 10.803 11.106 -5.934 3 HA2 GLY 135 HA1 GLY 135 12.778 13.160 -5.842 No H/Q in entry = 3 In of MODEL 6 1 H1 GLY 95 HT2 GLY 95 -6.870 7.855 -6.857 2 H2 GLY 95 HT1 GLY 95 -7.414 6.533 -5.947 3 H3 GLY 95 HT3 GLY 95 -7.903 6.706 -7.562 4 HA3 GLY 95 HA1 GLY 95 -9.719 7.351 -6.201 5 HA2 GLY 95 HA2 GLY 95 -8.675 8.398 -5.252 No H/Q in entry = 5 In of MODEL 6 1 HA ALA 96 HA ALA 96 -8.988 10.905 -9.035 2 HB1 ALA 96 HB1 ALA 96 -8.919 8.807 -11.201 3 HB2 ALA 96 HB2 ALA 96 -7.506 9.588 -10.492 4 HB3 ALA 96 HB3 ALA 96 -8.671 10.540 -11.412 5 H ALA 96 HN ALA 96 -8.902 8.007 -8.796 No H/Q in entry = 5 In of MODEL 6 1 HA MET 97 HA MET 97 -13.325 9.931 -9.920 2 HB2 MET 97 HB2 MET 97 -12.736 9.290 -12.253 3 HG2 MET 97 HG2 MET 97 -15.276 8.018 -11.260 4 HE1 MET 97 HE1 MET 97 -13.089 9.238 -14.282 5 HE3 MET 97 HE2 MET 97 -14.478 10.322 -14.353 6 HE2 MET 97 HE3 MET 97 -14.232 9.119 -15.619 7 H MET 97 HN MET 97 -10.995 8.127 -9.925 8 HB3 MET 97 HB1 MET 97 -12.905 7.600 -11.806 9 HG3 MET 97 HG1 MET 97 -15.079 9.680 -11.814 No H/Q in entry = 9 In of MODEL 6 1 HA GLU 98 HA GLU 98 -13.863 5.472 -8.194 2 HB2 GLU 98 HB2 GLU 98 -11.269 5.744 -6.668 3 HG2 GLU 98 HG2 GLU 98 -10.562 3.808 -8.228 4 H GLU 98 HN GLU 98 -11.749 7.218 -8.834 5 HB3 GLU 98 HB1 GLU 98 -12.288 4.320 -6.799 6 HG3 GLU 98 HG1 GLU 98 -11.763 4.480 -9.330 No H/Q in entry = 6 In of MODEL 6 1 HA PRO 99 HA PRO 99 -15.643 7.869 -4.915 2 HB2 PRO 99 HB2 PRO 99 -17.471 6.065 -4.084 3 HG2 PRO 99 HG2 PRO 99 -16.663 4.170 -5.135 4 HD2 PRO 99 HD2 PRO 99 -15.112 4.293 -6.829 5 HB3 PRO 99 HB1 PRO 99 -17.646 6.951 -5.602 6 HG3 PRO 99 HG1 PRO 99 -17.760 4.771 -6.393 7 HD3 PRO 99 HD1 PRO 99 -16.029 5.528 -7.711 No H/Q in entry = 7 In of MODEL 6 1 HA GLU 100 HA GLU 100 -13.020 6.404 -1.720 2 HB2 GLU 100 HB2 GLU 100 -14.399 8.847 -0.602 3 HG2 GLU 100 HG2 GLU 100 -11.646 8.641 -1.797 4 H GLU 100 HN GLU 100 -14.703 8.202 -3.044 5 HB3 GLU 100 HB1 GLU 100 -12.996 8.049 0.096 6 HG3 GLU 100 HG1 GLU 100 -13.048 9.302 -2.637 No H/Q in entry = 6 In of MODEL 6 1 HA ASN 101 HA ASN 101 -16.906 5.886 1.084 2 HB2 ASN 101 HB2 ASN 101 -18.486 7.193 -0.547 3 HD21 ASN 101 HD21 ASN 101 -18.513 4.394 1.558 4 HD22 ASN 101 HD22 ASN 101 -19.907 4.866 2.465 5 H ASN 101 HN ASN 101 -16.425 7.079 -1.375 6 HB3 ASN 101 HB1 ASN 101 -18.897 5.586 -1.133 No H/Q in entry = 6 In of MODEL 6 1 HA LYS 102 HA LYS 102 -17.046 1.757 -0.886 2 HB2 LYS 102 HB2 LYS 102 -16.773 2.689 -3.736 3 HG2 LYS 102 HG2 LYS 102 -19.053 1.496 -2.180 4 HD2 LYS 102 HD2 LYS 102 -18.973 2.348 -5.066 5 HE2 LYS 102 HE2 LYS 102 -21.228 1.302 -5.090 6 HZ2 LYS 102 HZ1 LYS 102 -22.373 3.106 -4.021 7 HZ1 LYS 102 HZ2 LYS 102 -20.992 3.718 -4.794 8 HZ3 LYS 102 HZ3 LYS 102 -21.000 3.505 -3.112 9 H LYS 102 HN LYS 102 -16.592 4.371 -2.093 10 HB3 LYS 102 HB1 LYS 102 -16.898 0.989 -3.287 11 HG3 LYS 102 HG1 LYS 102 -18.931 3.148 -2.783 12 HD3 LYS 102 HD1 LYS 102 -18.985 0.674 -4.502 13 HE3 LYS 102 HE1 LYS 102 -21.118 1.130 -3.339 No H/Q in entry = 13 In of MODEL 6 1 HA TYR 103 HA TYR 103 -12.484 1.950 -2.560 2 HB2 TYR 103 HB2 TYR 103 -12.412 4.302 -3.205 3 HD1 TYR 103 HD1 TYR 103 -10.379 2.569 -3.744 4 HD2 TYR 103 HD2 TYR 103 -10.433 5.524 -0.692 5 HE1 TYR 103 HE1 TYR 103 -7.922 2.657 -3.789 6 HE2 TYR 103 HE2 TYR 103 -7.979 5.615 -0.700 7 HH TYR 103 HH TYR 103 -6.077 4.480 -1.445 8 H TYR 103 HN TYR 103 -14.540 3.775 -2.099 9 HB3 TYR 103 HB1 TYR 103 -12.419 4.785 -1.518 No H/Q in entry = 9 In of MODEL 6 1 HA LEU 104 HA LEU 104 -11.548 2.714 2.097 2 HB2 LEU 104 HB2 LEU 104 -13.226 4.304 2.749 3 HG LEU 104 HG LEU 104 -13.407 1.953 4.635 4 HD13 LEU 104 HD11 LEU 104 -11.623 3.061 5.855 5 HD12 LEU 104 HD12 LEU 104 -11.571 4.342 4.645 6 HD11 LEU 104 HD13 LEU 104 -11.110 2.699 4.206 7 HD22 LEU 104 HD21 LEU 104 -14.031 3.611 6.303 8 HD21 LEU 104 HD22 LEU 104 -15.192 3.600 4.974 9 HD23 LEU 104 HD23 LEU 104 -13.981 4.880 5.080 10 H LEU 104 HN LEU 104 -13.754 3.267 0.440 11 HB3 LEU 104 HB1 LEU 104 -14.475 3.076 2.715 No H/Q in entry = 11 In of MODEL 6 1 HA PRO 105 HA PRO 105 -13.875 -1.310 3.482 2 HB2 PRO 105 HB2 PRO 105 -15.644 -2.365 1.661 3 HG2 PRO 105 HG2 PRO 105 -15.583 -0.585 0.151 4 HD2 PRO 105 HD2 PRO 105 -14.922 1.558 0.787 5 HB3 PRO 105 HB1 PRO 105 -16.126 -1.328 3.009 6 HG3 PRO 105 HG1 PRO 105 -16.949 -0.106 1.186 7 HD3 PRO 105 HD1 PRO 105 -15.651 1.406 2.401 No H/Q in entry = 7 In of MODEL 6 1 HA GLU 106 HA GLU 106 -12.238 -3.295 -0.617 2 HB2 GLU 106 HB2 GLU 106 -11.355 -0.568 -1.575 3 HG2 GLU 106 HG2 GLU 106 -13.732 -1.073 -2.010 4 H GLU 106 HN GLU 106 -13.214 -0.757 0.058 5 HB3 GLU 106 HB1 GLU 106 -10.922 -2.088 -2.338 6 HG3 GLU 106 HG1 GLU 106 -12.760 -0.895 -3.469 No H/Q in entry = 6 In of MODEL 6 1 HA LEU 107 HA LEU 107 -8.016 -1.494 0.828 2 HB2 LEU 107 HB2 LEU 107 -9.328 0.581 2.587 3 HG LEU 107 HG LEU 107 -9.168 1.181 0.141 4 HD12 LEU 107 HD11 LEU 107 -7.494 2.777 2.074 5 HD11 LEU 107 HD12 LEU 107 -9.249 2.857 1.920 6 HD13 LEU 107 HD13 LEU 107 -8.220 3.379 0.585 7 HD21 LEU 107 HD21 LEU 107 -6.222 1.003 0.759 8 HD23 LEU 107 HD22 LEU 107 -6.912 1.751 -0.682 9 HD22 LEU 107 HD23 LEU 107 -7.116 0.021 -0.404 10 H LEU 107 HN LEU 107 -10.654 -0.469 0.799 11 HB3 LEU 107 HB1 LEU 107 -7.610 0.243 2.541 No H/Q in entry = 11 In of MODEL 6 1 HA MET 108 HA MET 108 -9.066 -2.636 5.355 2 HB2 MET 108 HB2 MET 108 -11.127 -2.962 6.512 3 HG2 MET 108 HG2 MET 108 -12.534 -2.281 3.950 4 HE2 MET 108 HE1 MET 108 -14.307 0.057 6.596 5 HE1 MET 108 HE2 MET 108 -13.448 0.004 5.059 6 HE3 MET 108 HE3 MET 108 -12.582 -0.312 6.564 7 H MET 108 HN MET 108 -10.585 -1.448 3.271 8 HB3 MET 108 HB1 MET 108 -11.123 -1.379 5.754 9 HG3 MET 108 HG1 MET 108 -12.579 -3.826 4.795 No H/Q in entry = 9 In of MODEL 6 1 HA ALA 109 HA ALA 109 -10.943 -6.674 3.822 2 HB3 ALA 109 HB1 ALA 109 -11.671 -7.376 1.546 3 HB2 ALA 109 HB2 ALA 109 -11.435 -5.712 0.996 4 HB1 ALA 109 HB3 ALA 109 -12.654 -6.076 2.218 5 H ALA 109 HN ALA 109 -11.018 -4.041 2.758 No H/Q in entry = 5 In of MODEL 6 1 HA GLU 110 HA GLU 110 -7.250 -7.231 0.876 2 HB2 GLU 110 HB2 GLU 110 -6.784 -4.260 0.555 3 HG2 GLU 110 HG2 GLU 110 -7.438 -6.360 -1.499 4 H GLU 110 HN GLU 110 -8.985 -5.015 1.365 5 HB3 GLU 110 HB1 GLU 110 -5.682 -5.501 -0.019 6 HG3 GLU 110 HG1 GLU 110 -8.521 -5.086 -0.938 No H/Q in entry = 6 In of MODEL 6 1 HA LYS 111 HA LYS 111 -4.762 -4.859 4.274 2 HB2 LYS 111 HB2 LYS 111 -5.816 -2.921 4.942 3 HG2 LYS 111 HG2 LYS 111 -6.545 -4.704 7.255 4 HD2 LYS 111 HD2 LYS 111 -5.753 -1.809 7.306 5 HE2 LYS 111 HE2 LYS 111 -5.636 -3.265 9.372 6 HZ2 LYS 111 HZ1 LYS 111 -7.654 -3.811 10.457 7 HZ1 LYS 111 HZ2 LYS 111 -7.754 -4.480 8.897 8 HZ3 LYS 111 HZ3 LYS 111 -8.591 -3.051 9.268 9 H LYS 111 HN LYS 111 -7.274 -4.541 3.105 10 HB3 LYS 111 HB1 LYS 111 -7.361 -3.717 5.194 11 HG3 LYS 111 HG1 LYS 111 -4.952 -3.997 6.982 12 HD3 LYS 111 HD1 LYS 111 -7.434 -2.319 7.158 13 HE3 LYS 111 HE1 LYS 111 -6.607 -1.798 9.491 No H/Q in entry = 13 In of MODEL 6 1 HA ASP 112 HA ASP 112 -6.557 -7.725 7.440 2 HB2 ASP 112 HB2 ASP 112 -9.350 -7.533 6.421 3 H ASP 112 HN ASP 112 -7.851 -6.328 5.288 4 HB3 ASP 112 HB1 ASP 112 -8.927 -8.891 7.459 No H/Q in entry = 4 In of MODEL 6 1 HA SER 113 HA SER 113 -6.697 -11.259 4.553 2 HB2 SER 113 HB2 SER 113 -7.155 -9.659 2.026 3 HG SER 113 HG SER 113 -8.985 -9.587 3.267 4 H SER 113 HN SER 113 -6.878 -8.360 4.154 5 HB3 SER 113 HB1 SER 113 -7.142 -11.418 2.134 No H/Q in entry = 5 In of MODEL 6 1 HA LEU 114 HA LEU 114 -2.792 -9.832 2.327 2 HB2 LEU 114 HB2 LEU 114 -3.391 -7.329 2.524 3 HG LEU 114 HG LEU 114 -0.549 -8.299 2.373 4 HD12 LEU 114 HD11 LEU 114 -2.416 -7.075 0.344 5 HD11 LEU 114 HD12 LEU 114 -2.016 -8.787 0.487 6 HD13 LEU 114 HD13 LEU 114 -0.768 -7.622 0.037 7 HD21 LEU 114 HD21 LEU 114 -0.557 -6.055 3.384 8 HD23 LEU 114 HD22 LEU 114 -1.473 -5.460 2.001 9 HD22 LEU 114 HD23 LEU 114 0.166 -6.081 1.778 10 H LEU 114 HN LEU 114 -4.743 -8.576 4.039 11 HB3 LEU 114 HB1 LEU 114 -2.364 -7.339 3.945 No H/Q in entry = 11 In of MODEL 6 1 HA ASP 115 HA ASP 115 -0.585 -11.677 5.551 2 HB2 ASP 115 HB2 ASP 115 0.169 -12.829 3.445 3 H ASP 115 HN ASP 115 -0.782 -10.572 2.914 4 HB3 ASP 115 HB1 ASP 115 1.503 -11.683 3.364 No H/Q in entry = 4 In of MODEL 6 1 HA PRO 116 HA PRO 116 1.382 -8.297 7.522 2 HB2 PRO 116 HB2 PRO 116 2.587 -9.637 9.577 3 HG2 PRO 116 HG2 PRO 116 2.299 -11.799 8.764 4 HD2 PRO 116 HD2 PRO 116 0.703 -12.309 7.149 5 HB3 PRO 116 HB1 PRO 116 0.857 -9.281 9.518 6 HG3 PRO 116 HG1 PRO 116 0.818 -11.604 9.724 7 HD3 PRO 116 HD1 PRO 116 -0.495 -11.198 7.847 No H/Q in entry = 7 In of MODEL 6 1 HA SER 117 HA SER 117 5.818 -10.099 7.005 2 HB2 SER 117 HB2 SER 117 5.049 -11.521 4.450 3 HG SER 117 HG SER 117 4.282 -12.848 5.967 4 H SER 117 HN SER 117 3.240 -10.939 6.266 5 HB3 SER 117 HB1 SER 117 6.638 -11.513 5.214 No H/Q in entry = 5 In of MODEL 6 1 HA PHE 118 HA PHE 118 5.647 -7.190 3.442 2 HB2 PHE 118 HB2 PHE 118 2.659 -7.264 2.955 3 HD1 PHE 118 HD1 PHE 118 5.152 -7.569 0.362 4 HD2 PHE 118 HD2 PHE 118 2.591 -9.716 2.988 5 HE1 PHE 118 HE1 PHE 118 5.433 -9.580 -1.015 6 HE2 PHE 118 HE2 PHE 118 2.870 -11.733 1.625 7 HZ PHE 118 HZ PHE 118 4.292 -11.673 -0.387 8 H PHE 118 HN PHE 118 3.582 -8.800 4.748 9 HB3 PHE 118 HB1 PHE 118 3.852 -6.423 1.970 No H/Q in entry = 9 In of MODEL 6 1 HA THR 119 HA THR 119 4.547 -4.761 7.055 2 HB THR 119 HB THR 119 7.278 -3.820 6.175 3 HG1 THR 119 HG1 THR 119 6.365 -5.915 7.769 4 HG22 THR 119 HG21 THR 119 5.753 -3.304 8.732 5 HG21 THR 119 HG22 THR 119 6.061 -2.122 7.459 6 HG23 THR 119 HG23 THR 119 7.405 -2.784 8.392 7 H THR 119 HN THR 119 6.249 -5.960 5.216 No H/Q in entry = 7 In of MODEL 6 1 HA HIS 120 HA HIS 120 4.855 -0.744 4.704 2 HB2 HIS 120 HB2 HIS 120 6.303 -1.787 2.278 3 HD1 HIS 120 HD1 HIS 120 6.658 0.828 5.039 4 HD2 HIS 120 HD2 HIS 120 8.888 -1.955 2.913 5 HE1 HIS 120 HE1 HIS 120 8.974 0.938 6.006 6 HE2 HIS 120 HE2 HIS 120 10.223 -0.945 4.887 7 H HIS 120 HN HIS 120 6.083 -3.270 4.183 8 HB3 HIS 120 HB1 HIS 120 5.750 -0.125 2.463 No H/Q in entry = 8 In of MODEL 6 1 HA ALA 121 HA ALA 121 2.006 -2.249 1.136 2 HB1 ALA 121 HB1 ALA 121 1.311 -4.468 0.578 3 HB3 ALA 121 HB2 ALA 121 2.200 -5.142 1.944 4 HB2 ALA 121 HB3 ALA 121 3.075 -4.432 0.589 5 H ALA 121 HN ALA 121 4.156 -3.420 2.497 No H/Q in entry = 5 In of MODEL 6 1 HA MET 122 HA MET 122 -0.636 -3.809 4.758 2 HB2 MET 122 HB2 MET 122 1.835 -4.421 6.337 3 HG2 MET 122 HG2 MET 122 0.446 -6.064 4.839 4 HE1 MET 122 HE1 MET 122 -2.152 -5.349 4.633 5 HE3 MET 122 HE2 MET 122 -2.020 -4.265 6.017 6 HE2 MET 122 HE3 MET 122 -3.302 -5.474 5.965 7 H MET 122 HN MET 122 2.146 -3.960 4.175 8 HB3 MET 122 HB1 MET 122 0.295 -4.230 7.162 9 HG3 MET 122 HG1 MET 122 1.176 -6.575 6.357 No H/Q in entry = 9 In of MODEL 6 1 HA GLN 123 HA GLN 123 0.780 -0.064 7.257 2 HB2 GLN 123 HB2 GLN 123 3.091 -0.037 7.582 3 HG2 GLN 123 HG2 GLN 123 2.733 2.297 5.723 4 HE21 GLN 123 HE21 GLN 123 4.141 2.254 8.894 5 HE22 GLN 123 HE22 GLN 123 5.758 2.637 8.395 6 H GLN 123 HN GLN 123 2.157 -1.806 5.500 7 HB3 GLN 123 HB1 GLN 123 3.431 -0.040 5.860 8 HG3 GLN 123 HG1 GLN 123 2.420 2.297 7.458 No H/Q in entry = 8 In of MODEL 6 1 HA LEU 124 HA LEU 124 0.449 2.730 3.565 2 HB2 LEU 124 HB2 LEU 124 0.794 0.583 1.462 3 HG LEU 124 HG LEU 124 2.891 1.530 2.558 4 HD11 LEU 124 HD11 LEU 124 2.923 0.420 0.386 5 HD13 LEU 124 HD12 LEU 124 4.054 1.771 0.421 6 HD12 LEU 124 HD13 LEU 124 2.506 1.940 -0.409 7 HD21 LEU 124 HD21 LEU 124 2.009 3.986 1.042 8 HD23 LEU 124 HD22 LEU 124 3.581 3.758 1.809 9 HD22 LEU 124 HD23 LEU 124 2.121 3.827 2.795 10 H LEU 124 HN LEU 124 1.503 0.146 3.791 11 HB3 LEU 124 HB1 LEU 124 0.356 2.242 1.092 No H/Q in entry = 11 In of MODEL 6 1 HA LEU 125 HA LEU 125 -3.607 0.389 2.458 2 HB2 LEU 125 HB2 LEU 125 -2.552 -1.978 3.979 3 HG LEU 125 HG LEU 125 -2.417 -1.999 1.469 4 HD13 LEU 125 HD11 LEU 125 -3.200 -4.291 1.322 5 HD12 LEU 125 HD12 LEU 125 -4.175 -4.076 2.772 6 HD11 LEU 125 HD13 LEU 125 -2.416 -4.022 2.877 7 HD23 LEU 125 HD21 LEU 125 -5.419 -2.224 1.721 8 HD22 LEU 125 HD22 LEU 125 -4.475 -2.410 0.239 9 HD21 LEU 125 HD23 LEU 125 -4.553 -0.842 1.047 10 H LEU 125 HN LEU 125 -1.030 -0.440 3.355 11 HB3 LEU 125 HB1 LEU 125 -4.276 -1.739 3.827 No H/Q in entry = 11 In of MODEL 6 1 HA THR 126 HA THR 126 -4.331 0.623 7.108 2 HB THR 126 HB THR 126 -1.412 1.043 7.787 3 HG1 THR 126 HG1 THR 126 -1.824 -1.115 7.483 4 HG21 THR 126 HG21 THR 126 -3.828 1.046 9.603 5 HG23 THR 126 HG22 THR 126 -2.757 2.410 9.271 6 HG22 THR 126 HG23 THR 126 -2.151 1.005 10.149 7 H THR 126 HN THR 126 -2.008 0.175 5.564 No H/Q in entry = 7 In of MODEL 6 1 HA ALA 127 HA ALA 127 -2.520 5.067 7.222 2 HB2 ALA 127 HB1 ALA 127 -1.036 6.204 5.683 3 HB3 ALA 127 HB2 ALA 127 -0.999 4.781 4.640 4 HB1 ALA 127 HB3 ALA 127 -0.311 4.705 6.263 5 H ALA 127 HN ALA 127 -1.726 2.722 5.944 No H/Q in entry = 5 In of MODEL 6 1 HA GLU 128 HA GLU 128 -4.654 6.149 3.061 2 HB2 GLU 128 HB2 GLU 128 -3.870 4.226 1.633 3 HG2 GLU 128 HG2 GLU 128 -5.914 4.137 0.155 4 H GLU 128 HN GLU 128 -3.229 3.907 3.923 5 HB3 GLU 128 HB1 GLU 128 -5.235 3.300 2.232 6 HG3 GLU 128 HG1 GLU 128 -6.708 5.158 1.351 No H/Q in entry = 6 In of MODEL 6 1 HA ILE 129 HA ILE 129 -8.457 3.861 4.791 2 HB ILE 129 HB ILE 129 -6.825 2.238 6.748 3 HG12 ILE 129 HG12 ILE 129 -8.726 1.398 4.557 4 HG22 ILE 129 HG21 ILE 129 -8.984 1.279 7.487 5 HG21 ILE 129 HG22 ILE 129 -9.828 2.493 6.525 6 HG23 ILE 129 HG23 ILE 129 -8.827 2.989 7.891 7 HD12 ILE 129 HD11 ILE 129 -7.734 -0.782 4.765 8 HD11 ILE 129 HD12 ILE 129 -8.445 -0.285 6.303 9 HD13 ILE 129 HD13 ILE 129 -6.698 -0.209 6.069 10 H ILE 129 HN ILE 129 -5.705 3.283 4.806 11 HG13 ILE 129 HG11 ILE 129 -6.978 1.484 4.367 No H/Q in entry = 11 In of MODEL 6 1 HA GLU 130 HA GLU 130 -7.348 5.983 9.020 2 HB2 GLU 130 HB2 GLU 130 -4.599 6.672 7.974 3 HG2 GLU 130 HG2 GLU 130 -5.426 4.987 10.321 4 H GLU 130 HN GLU 130 -5.853 4.717 7.022 5 HB3 GLU 130 HB1 GLU 130 -5.289 7.306 9.459 6 HG3 GLU 130 HG1 GLU 130 -4.592 4.443 8.864 No H/Q in entry = 6 In of MODEL 6 1 HA LYS 131 HA LYS 131 -6.711 9.875 6.304 2 HB2 LYS 131 HB2 LYS 131 -6.433 8.238 3.773 3 HG2 LYS 131 HG2 LYS 131 -4.422 10.129 4.952 4 HD2 LYS 131 HD2 LYS 131 -2.877 8.945 3.493 5 HE2 LYS 131 HE2 LYS 131 -5.356 9.993 2.151 6 HZ1 LYS 131 HZ1 LYS 131 -4.150 8.547 0.622 7 HZ3 LYS 131 HZ2 LYS 131 -2.717 9.418 0.905 8 HZ2 LYS 131 HZ3 LYS 131 -4.034 10.175 0.153 9 H LYS 131 HN LYS 131 -6.140 7.136 5.932 10 HB3 LYS 131 HB1 LYS 131 -6.490 9.995 3.822 11 HG3 LYS 131 HG1 LYS 131 -4.425 8.401 5.309 12 HD3 LYS 131 HD1 LYS 131 -4.183 7.898 2.939 13 HE3 LYS 131 HE1 LYS 131 -3.851 10.853 2.475 No H/Q in entry = 13 In of MODEL 6 1 HA ILE 132 HA ILE 132 -10.761 8.930 4.029 2 HB ILE 132 HB ILE 132 -10.904 5.962 4.499 3 HD12 ILE 132 HD11 ILE 132 -11.307 5.566 1.372 4 HD11 ILE 132 HD12 ILE 132 -10.358 4.494 2.402 5 HD13 ILE 132 HD13 ILE 132 -9.602 5.283 1.018 6 H ILE 132 HN ILE 132 -8.561 7.266 4.715 No H/Q in entry = 6 In of MODEL 6 1 HA GLN 133 HA GLN 133 -12.626 6.978 7.972 2 HB2 GLN 133 HB2 GLN 133 -9.926 6.355 9.167 3 HG2 GLN 133 HG2 GLN 133 -10.791 4.692 7.565 4 HE21 GLN 133 HE21 GLN 133 -12.111 2.441 8.862 5 HE22 GLN 133 HE22 GLN 133 -13.810 2.727 8.688 6 H GLN 133 HN GLN 133 -10.079 6.810 6.771 7 HB3 GLN 133 HB1 GLN 133 -11.435 6.243 10.060 8 HG3 GLN 133 HG1 GLN 133 -10.644 4.078 9.209 No H/Q in entry = 8 In of MODEL 6 1 HA LYS 134 HA LYS 134 -10.834 10.464 10.520 2 HB2 LYS 134 HB2 LYS 134 -8.917 11.921 10.334 3 HG2 LYS 134 HG2 LYS 134 -8.030 10.475 7.860 4 HD2 LYS 134 HD2 LYS 134 -6.407 12.254 7.720 5 HE2 LYS 134 HE2 LYS 134 -5.151 11.937 9.841 6 HZ1 LYS 134 HZ1 LYS 134 -6.328 9.479 8.673 7 HZ3 LYS 134 HZ2 LYS 134 -4.951 9.521 9.662 8 HZ2 LYS 134 HZ3 LYS 134 -4.929 10.279 8.140 9 H LYS 134 HN LYS 134 -9.733 8.984 8.321 10 HB3 LYS 134 HB1 LYS 134 -8.391 10.255 10.182 11 HG3 LYS 134 HG1 LYS 134 -8.870 12.027 7.810 12 HD3 LYS 134 HD1 LYS 134 -7.128 13.069 9.109 13 HE3 LYS 134 HE1 LYS 134 -6.551 11.087 10.492 No H/Q in entry = 13 In of MODEL 6 1 HA3 GLY 135 HA2 GLY 135 -12.710 11.919 5.988 2 H GLY 135 HN GLY 135 -10.954 10.728 7.060 3 HA2 GLY 135 HA1 GLY 135 -12.795 12.987 7.381 No H/Q in entry = 3 In of MODEL 6 1 H1 GLY 95 HT2 GLY 95 7.009 7.636 7.110 2 H2 GLY 95 HT1 GLY 95 7.517 6.311 6.180 3 H3 GLY 95 HT3 GLY 95 8.025 6.456 7.789 4 HA2 GLY 95 HA2 GLY 95 8.812 8.157 5.492 5 HA3 GLY 95 HA1 GLY 95 9.845 7.086 6.429 No H/Q in entry = 5 In of MODEL 6 1 HA ALA 96 HA ALA 96 9.192 10.633 9.294 2 HB1 ALA 96 HB1 ALA 96 9.079 8.517 11.443 3 HB3 ALA 96 HB2 ALA 96 7.684 9.333 10.739 4 HB2 ALA 96 HB3 ALA 96 8.866 10.254 11.670 5 H ALA 96 HN ALA 96 9.069 7.735 9.033 No H/Q in entry = 5 In of MODEL 6 1 HA MET 97 HA MET 97 13.509 9.566 10.164 2 HB2 MET 97 HB2 MET 97 12.909 8.906 12.488 3 HG2 MET 97 HG2 MET 97 15.424 7.597 11.480 4 HE1 MET 97 HE1 MET 97 13.266 8.839 14.520 5 HE3 MET 97 HE2 MET 97 14.677 9.893 14.597 6 HE2 MET 97 HE3 MET 97 14.409 8.683 15.854 7 H MET 97 HN MET 97 11.143 7.808 10.156 8 HB3 MET 97 HB1 MET 97 13.048 7.218 12.018 9 HG3 MET 97 HG1 MET 97 15.261 9.258 12.046 No H/Q in entry = 9 In of MODEL 6 1 HA GLU 98 HA GLU 98 13.958 5.118 8.396 2 HB2 GLU 98 HB2 GLU 98 11.365 5.448 6.881 3 HG2 GLU 98 HG2 GLU 98 10.637 3.509 8.430 4 H GLU 98 HN GLU 98 11.883 6.894 9.059 5 HB3 GLU 98 HB1 GLU 98 12.357 4.004 6.998 6 HG3 GLU 98 HG1 GLU 98 11.844 4.165 9.536 No H/Q in entry = 6 In of MODEL 6 1 HA PRO 99 HA PRO 99 15.772 7.509 5.137 2 HB2 PRO 99 HB2 PRO 99 17.567 5.678 4.286 3 HG2 PRO 99 HG2 PRO 99 16.728 3.786 5.321 4 HD2 PRO 99 HD2 PRO 99 15.183 3.924 7.018 5 HB3 PRO 99 HB1 PRO 99 17.758 6.548 5.812 6 HG3 PRO 99 HG1 PRO 99 17.840 4.360 6.581 7 HD3 PRO 99 HD1 PRO 99 16.123 5.136 7.907 No H/Q in entry = 7 In of MODEL 6 1 HA GLU 100 HA GLU 100 13.120 6.124 1.929 2 HB2 GLU 100 HB2 GLU 100 14.535 8.558 0.836 3 HG2 GLU 100 HG2 GLU 100 11.782 8.384 2.036 4 H GLU 100 HN GLU 100 14.827 7.882 3.278 5 HB3 GLU 100 HB1 GLU 100 13.118 7.789 0.134 6 HG3 GLU 100 HG1 GLU 100 13.196 9.009 2.882 No H/Q in entry = 6 In of MODEL 6 1 HA ASN 101 HA ASN 101 16.987 5.562 -0.887 2 HB2 ASN 101 HB2 ASN 101 18.592 6.827 0.747 3 HD21 ASN 101 HD21 ASN 101 18.555 4.059 -1.382 4 HD22 ASN 101 HD22 ASN 101 19.957 4.509 -2.291 5 H ASN 101 HN ASN 101 16.540 6.734 1.588 6 HB3 ASN 101 HB1 ASN 101 18.978 5.209 1.325 No H/Q in entry = 6 In of MODEL 6 1 HA LYS 102 HA LYS 102 17.053 1.416 1.046 2 HB2 LYS 102 HB2 LYS 102 16.806 2.325 3.905 3 HG2 LYS 102 HG2 LYS 102 19.060 1.104 2.331 4 HD2 LYS 102 HD2 LYS 102 18.999 1.929 5.227 5 HE2 LYS 102 HE2 LYS 102 21.236 0.840 5.240 6 HZ2 LYS 102 HZ1 LYS 102 22.407 2.639 4.196 7 HZ1 LYS 102 HZ2 LYS 102 21.031 3.267 4.960 8 HZ3 LYS 102 HZ3 LYS 102 21.049 3.063 3.273 9 H LYS 102 HN LYS 102 16.651 4.027 2.276 10 HB3 LYS 102 HB1 LYS 102 16.899 0.627 3.439 11 HG3 LYS 102 HG1 LYS 102 18.972 2.753 2.952 12 HD3 LYS 102 HD1 LYS 102 18.979 0.260 4.647 13 HE3 LYS 102 HE1 LYS 102 21.121 0.687 3.485 No H/Q in entry = 13 In of MODEL 6 1 HA TYR 103 HA TYR 103 12.500 1.675 2.726 2 HB2 TYR 103 HB2 TYR 103 12.474 4.025 3.392 3 HD1 TYR 103 HD1 TYR 103 10.404 2.323 3.925 4 HD2 TYR 103 HD2 TYR 103 10.514 5.305 0.902 5 HE1 TYR 103 HE1 TYR 103 7.953 2.459 3.981 6 HE2 TYR 103 HE2 TYR 103 8.062 5.446 0.920 7 HH TYR 103 HH TYR 103 6.141 4.347 1.663 8 H TYR 103 HN TYR 103 14.584 3.472 2.277 9 HB3 TYR 103 HB1 TYR 103 12.480 4.520 1.710 No H/Q in entry = 9 In of MODEL 6 1 HA LEU 104 HA LEU 104 11.567 2.504 -1.915 2 HB2 LEU 104 HB2 LEU 104 13.273 4.068 -2.558 3 HG LEU 104 HG LEU 104 13.404 1.733 -4.471 4 HD13 LEU 104 HD11 LEU 104 11.636 2.885 -5.675 5 HD12 LEU 104 HD12 LEU 104 11.611 4.155 -4.453 6 HD11 LEU 104 HD13 LEU 104 11.123 2.517 -4.028 7 HD22 LEU 104 HD21 LEU 104 14.060 3.398 -6.125 8 HD21 LEU 104 HD22 LEU 104 15.221 3.347 -4.798 9 HD23 LEU 104 HD23 LEU 104 14.040 4.654 -4.888 10 H LEU 104 HN LEU 104 13.791 2.993 -0.262 11 HB3 LEU 104 HB1 LEU 104 14.498 2.815 -2.541 No H/Q in entry = 11 In of MODEL 6 1 HA PRO 105 HA PRO 105 13.814 -1.553 -3.346 2 HB2 PRO 105 HB2 PRO 105 15.572 -2.653 -1.540 3 HG2 PRO 105 HG2 PRO 105 15.546 -0.884 -0.015 4 HD2 PRO 105 HD2 PRO 105 14.925 1.277 -0.631 5 HB3 PRO 105 HB1 PRO 105 16.067 -1.612 -2.881 6 HG3 PRO 105 HG1 PRO 105 16.918 -0.422 -1.048 7 HD3 PRO 105 HD1 PRO 105 15.644 1.122 -2.249 No H/Q in entry = 7 In of MODEL 6 1 HA GLU 106 HA GLU 106 12.158 -3.544 0.728 2 HB2 GLU 106 HB2 GLU 106 11.324 -0.815 1.714 3 HG2 GLU 106 HG2 GLU 106 13.693 -1.368 2.145 4 H GLU 106 HN GLU 106 13.177 -1.018 0.083 5 HB3 GLU 106 HB1 GLU 106 10.863 -2.334 2.464 6 HG3 GLU 106 HG1 GLU 106 12.723 -1.188 3.606 No H/Q in entry = 6 In of MODEL 6 1 HA LEU 107 HA LEU 107 7.968 -1.654 -0.681 2 HB2 LEU 107 HB2 LEU 107 9.311 0.417 -2.418 3 HG LEU 107 HG LEU 107 9.162 0.995 0.032 4 HD12 LEU 107 HD11 LEU 107 7.519 2.637 -1.890 5 HD11 LEU 107 HD12 LEU 107 9.275 2.684 -1.734 6 HD13 LEU 107 HD13 LEU 107 8.256 3.216 -0.396 7 HD21 LEU 107 HD21 LEU 107 6.211 0.877 -0.586 8 HD23 LEU 107 HD22 LEU 107 6.918 1.601 0.859 9 HD22 LEU 107 HD23 LEU 107 7.087 -0.130 0.568 10 H LEU 107 HN LEU 107 10.624 -0.672 -0.645 11 HB3 LEU 107 HB1 LEU 107 7.587 0.108 -2.377 No H/Q in entry = 11 In of MODEL 6 1 HA MET 108 HA MET 108 8.978 -2.763 -5.217 2 HB2 MET 108 HB2 MET 108 11.022 -3.118 -6.389 3 HG2 MET 108 HG2 MET 108 12.456 -2.484 -3.828 4 HE2 MET 108 HE1 MET 108 14.270 -0.157 -6.451 5 HE1 MET 108 HE2 MET 108 13.410 -0.214 -4.912 6 HE3 MET 108 HE3 MET 108 12.537 -0.491 -6.421 7 H MET 108 HN MET 108 10.534 -1.633 -3.131 8 HB3 MET 108 HB1 MET 108 11.053 -1.543 -5.617 9 HG3 MET 108 HG1 MET 108 12.470 -4.025 -4.685 No H/Q in entry = 9 In of MODEL 6 1 HA ALA 109 HA ALA 109 10.788 -6.852 -3.730 2 HB2 ALA 109 HB1 ALA 109 11.505 -7.589 -1.462 3 HB3 ALA 109 HB2 ALA 109 11.305 -5.927 -0.896 4 HB1 ALA 109 HB3 ALA 109 12.515 -6.305 -2.124 5 H ALA 109 HN ALA 109 10.912 -4.228 -2.645 No H/Q in entry = 5 In of MODEL 6 1 HA GLU 110 HA GLU 110 7.098 -7.367 -0.783 2 HB2 GLU 110 HB2 GLU 110 6.681 -4.391 -0.434 3 HG2 GLU 110 HG2 GLU 110 7.292 -6.528 1.597 4 H GLU 110 HN GLU 110 8.869 -5.181 -1.255 5 HB3 GLU 110 HB1 GLU 110 5.555 -5.619 0.123 6 HG3 GLU 110 HG1 GLU 110 8.401 -5.274 1.046 No H/Q in entry = 6 In of MODEL 6 1 HA LYS 111 HA LYS 111 4.640 -4.919 -4.153 2 HB2 LYS 111 HB2 LYS 111 5.727 -2.996 -4.805 3 HG2 LYS 111 HG2 LYS 111 6.423 -4.772 -7.135 4 HD2 LYS 111 HD2 LYS 111 5.690 -1.858 -7.156 5 HE2 LYS 111 HE2 LYS 111 5.536 -3.295 -9.240 6 HZ2 LYS 111 HZ1 LYS 111 7.550 -3.863 -10.342 7 HZ1 LYS 111 HZ2 LYS 111 7.638 -4.550 -8.791 8 HZ3 LYS 111 HZ3 LYS 111 8.496 -3.132 -9.146 9 H LYS 111 HN LYS 111 7.158 -4.653 -2.986 10 HB3 LYS 111 HB1 LYS 111 7.258 -3.817 -5.068 11 HG3 LYS 111 HG1 LYS 111 4.843 -4.034 -6.854 12 HD3 LYS 111 HD1 LYS 111 7.360 -2.407 -7.021 13 HE3 LYS 111 HE1 LYS 111 6.531 -1.844 -9.349 No H/Q in entry = 13 In of MODEL 6 1 HA ASP 112 HA ASP 112 6.370 -7.791 -7.347 2 HB2 ASP 112 HB2 ASP 112 9.174 -7.664 -6.347 3 H ASP 112 HN ASP 112 7.702 -6.439 -5.186 4 HB3 ASP 112 HB1 ASP 112 8.718 -9.000 -7.402 No H/Q in entry = 4 In of MODEL 6 1 HA SER 113 HA SER 113 6.469 -11.353 -4.494 2 HB2 SER 113 HB2 SER 113 6.931 -9.787 -1.943 3 HG SER 113 HG SER 113 8.758 -9.736 -3.234 4 H SER 113 HN SER 113 6.696 -8.460 -4.071 5 HB3 SER 113 HB1 SER 113 6.901 -11.544 -2.072 No H/Q in entry = 5 In of MODEL 6 1 HA LEU 114 HA LEU 114 2.578 -9.880 -2.254 2 HB2 LEU 114 HB2 LEU 114 3.226 -7.388 -2.421 3 HG LEU 114 HG LEU 114 0.365 -8.301 -2.276 4 HD12 LEU 114 HD11 LEU 114 2.259 -7.129 -0.241 5 HD11 LEU 114 HD12 LEU 114 1.825 -8.832 -0.392 6 HD13 LEU 114 HD13 LEU 114 0.602 -7.646 0.065 7 HD21 LEU 114 HD21 LEU 114 0.415 -6.048 -3.267 8 HD23 LEU 114 HD22 LEU 114 1.347 -5.487 -1.881 9 HD22 LEU 114 HD23 LEU 114 -0.302 -6.073 -1.659 10 H LEU 114 HN LEU 114 4.562 -8.634 -3.931 11 HB3 LEU 114 HB1 LEU 114 2.200 -7.359 -3.843 No H/Q in entry = 11 In of MODEL 6 1 HA ASP 115 HA ASP 115 0.332 -11.648 -5.486 2 HB2 ASP 115 HB2 ASP 115 -0.437 -12.792 -3.377 3 H ASP 115 HN ASP 115 0.563 -10.574 -2.838 4 HB3 ASP 115 HB1 ASP 115 -1.759 -11.633 -3.300 No H/Q in entry = 4 In of MODEL 6 1 HA PRO 116 HA PRO 116 -1.578 -8.209 -7.423 2 HB2 PRO 116 HB2 PRO 116 -2.806 -9.506 -9.488 3 HG2 PRO 116 HG2 PRO 116 -2.558 -11.681 -8.693 4 HD2 PRO 116 HD2 PRO 116 -0.972 -12.240 -7.086 5 HB3 PRO 116 HB1 PRO 116 -1.069 -9.183 -9.426 6 HG3 PRO 116 HG1 PRO 116 -1.077 -11.507 -9.658 7 HD3 PRO 116 HD1 PRO 116 0.249 -11.150 -7.779 No H/Q in entry = 7 In of MODEL 6 1 HA SER 117 HA SER 117 -6.049 -9.938 -6.906 2 HB2 SER 117 HB2 SER 117 -5.298 -11.395 -4.361 3 HG SER 117 HG SER 117 -4.544 -12.734 -5.850 4 H SER 117 HN SER 117 -3.485 -10.834 -6.192 5 HB3 SER 117 HB1 SER 117 -6.882 -11.367 -5.138 No H/Q in entry = 5 In of MODEL 6 1 HA PHE 118 HA PHE 118 -5.810 -7.064 -3.315 2 HB2 PHE 118 HB2 PHE 118 -2.827 -7.198 -2.841 3 HD1 PHE 118 HD1 PHE 118 -5.311 -7.480 -0.245 4 HD2 PHE 118 HD2 PHE 118 -2.805 -9.654 -2.898 5 HE1 PHE 118 HE1 PHE 118 -5.631 -9.495 1.113 6 HE2 PHE 118 HE2 PHE 118 -3.125 -11.677 -1.557 7 HZ PHE 118 HZ PHE 118 -4.541 -11.605 0.460 8 H PHE 118 HN PHE 118 -3.784 -8.699 -4.646 9 HB3 PHE 118 HB1 PHE 118 -3.998 -6.345 -1.842 No H/Q in entry = 9 In of MODEL 6 1 HA THR 119 HA THR 119 -4.670 -4.621 -6.912 2 HB THR 119 HB THR 119 -7.388 -3.648 -6.024 3 HG1 THR 119 HG1 THR 119 -6.510 -5.743 -7.623 4 HG22 THR 119 HG21 THR 119 -5.855 -3.116 -8.574 5 HG21 THR 119 HG22 THR 119 -6.137 -1.949 -7.282 6 HG23 THR 119 HG23 THR 119 -7.496 -2.574 -8.220 7 H THR 119 HN THR 119 -6.388 -5.807 -5.079 No H/Q in entry = 7 In of MODEL 6 1 HA HIS 120 HA HIS 120 -4.904 -0.625 -4.526 2 HB2 HIS 120 HB2 HIS 120 -6.360 -1.658 -2.098 3 HD1 HIS 120 HD1 HIS 120 -6.687 0.995 -4.828 4 HD2 HIS 120 HD2 HIS 120 -8.949 -1.783 -2.725 5 HE1 HIS 120 HE1 HIS 120 -9.004 1.144 -5.789 6 HE2 HIS 120 HE2 HIS 120 -10.266 -0.737 -4.690 7 H HIS 120 HN HIS 120 -6.177 -3.129 -4.025 8 HB3 HIS 120 HB1 HIS 120 -5.779 -0.006 -2.275 No H/Q in entry = 8 In of MODEL 6 1 HA ALA 121 HA ALA 121 -2.071 -2.214 -0.970 2 HB3 ALA 121 HB1 ALA 121 -1.422 -4.455 -0.435 3 HB2 ALA 121 HB2 ALA 121 -2.324 -5.097 -1.809 4 HB1 ALA 121 HB3 ALA 121 -3.184 -4.384 -0.445 5 H ALA 121 HN ALA 121 -4.245 -3.334 -2.342 No H/Q in entry = 5 In of MODEL 6 1 HA MET 122 HA MET 122 0.533 -3.788 -4.615 2 HB2 MET 122 HB2 MET 122 -1.953 -4.341 -6.198 3 HG2 MET 122 HG2 MET 122 -0.597 -6.026 -4.714 4 HE1 MET 122 HE1 MET 122 2.015 -5.354 -4.505 5 HE3 MET 122 HE2 MET 122 1.898 -4.256 -5.881 6 HE2 MET 122 HE3 MET 122 3.160 -5.489 -5.839 7 H MET 122 HN MET 122 -2.249 -3.894 -4.027 8 HB3 MET 122 HB1 MET 122 -0.408 -4.170 -7.020 9 HG3 MET 122 HG1 MET 122 -1.332 -6.506 -6.240 No H/Q in entry = 9 In of MODEL 6 1 HA GLN 123 HA GLN 123 -0.816 0.004 -7.078 2 HB2 GLN 123 HB2 GLN 123 -3.132 0.074 -7.393 3 HG2 GLN 123 HG2 GLN 123 -2.731 2.386 -5.512 4 HE21 GLN 123 HE21 GLN 123 -4.130 2.442 -8.675 5 HE22 GLN 123 HE22 GLN 123 -5.749 2.796 -8.177 6 H GLN 123 HN GLN 123 -2.219 -1.728 -5.332 7 HB3 GLN 123 HB1 GLN 123 -3.464 0.060 -5.669 8 HG3 GLN 123 HG1 GLN 123 -2.420 2.396 -7.247 No H/Q in entry = 8 In of MODEL 6 1 HA LEU 124 HA LEU 124 -0.437 2.759 -3.355 2 HB2 LEU 124 HB2 LEU 124 -0.810 0.591 -1.279 3 HG LEU 124 HG LEU 124 -2.890 1.594 -2.351 4 HD11 LEU 124 HD11 LEU 124 -2.935 0.460 -0.192 5 HD13 LEU 124 HD12 LEU 124 -4.040 1.834 -0.213 6 HD12 LEU 124 HD13 LEU 124 -2.489 1.966 0.616 7 HD21 LEU 124 HD21 LEU 124 -1.958 4.013 -0.811 8 HD23 LEU 124 HD22 LEU 124 -3.535 3.821 -1.576 9 HD22 LEU 124 HD23 LEU 124 -2.077 3.876 -2.567 10 H LEU 124 HN LEU 124 -1.526 0.193 -3.610 11 HB3 LEU 124 HB1 LEU 124 -0.336 2.235 -0.888 No H/Q in entry = 11 In of MODEL 6 1 HA LEU 125 HA LEU 125 3.582 0.327 -2.286 2 HB2 LEU 125 HB2 LEU 125 2.479 -2.006 -3.825 3 HG LEU 125 HG LEU 125 2.353 -2.043 -1.311 4 HD13 LEU 125 HD11 LEU 125 3.093 -4.347 -1.184 5 HD12 LEU 125 HD12 LEU 125 4.069 -4.140 -2.631 6 HD11 LEU 125 HD13 LEU 125 2.311 -4.052 -2.736 7 HD23 LEU 125 HD21 LEU 125 5.351 -2.318 -1.578 8 HD22 LEU 125 HD22 LEU 125 4.410 -2.502 -0.095 9 HD21 LEU 125 HD23 LEU 125 4.509 -0.929 -0.887 10 H LEU 125 HN LEU 125 0.987 -0.435 -3.186 11 HB3 LEU 125 HB1 LEU 125 4.211 -1.798 -3.674 No H/Q in entry = 11 In of MODEL 6 1 HA THR 126 HA THR 126 4.306 0.592 -6.932 2 HB THR 126 HB THR 126 1.393 1.076 -7.602 3 HG1 THR 126 HG1 THR 126 1.762 -1.090 -7.322 4 HG21 THR 126 HG21 THR 126 3.807 1.055 -9.423 5 HG23 THR 126 HG22 THR 126 2.761 2.432 -9.069 6 HG22 THR 126 HG23 THR 126 2.127 1.051 -9.964 7 H THR 126 HN THR 126 1.977 0.173 -5.388 No H/Q in entry = 7 In of MODEL 6 1 HA ALA 127 HA ALA 127 2.575 5.078 -6.998 2 HB3 ALA 127 HB1 ALA 127 1.118 6.227 -5.441 3 HB1 ALA 127 HB2 ALA 127 1.054 4.793 -4.415 4 HB2 ALA 127 HB3 ALA 127 0.361 4.749 -6.037 5 H ALA 127 HN ALA 127 1.739 2.733 -5.750 No H/Q in entry = 5 In of MODEL 6 1 HA GLU 128 HA GLU 128 4.737 6.071 -2.831 2 HB2 GLU 128 HB2 GLU 128 3.920 4.145 -1.419 3 HG2 GLU 128 HG2 GLU 128 5.967 4.013 0.052 4 H GLU 128 HN GLU 128 3.268 3.867 -3.712 5 HB3 GLU 128 HB1 GLU 128 5.269 3.204 -2.030 6 HG3 GLU 128 HG1 GLU 128 6.774 5.027 -1.138 No H/Q in entry = 6 In of MODEL 6 1 HA ILE 129 HA ILE 129 8.494 3.732 -4.592 2 HB ILE 129 HB ILE 129 6.826 2.165 -6.561 3 HD12 ILE 129 HD11 ILE 129 7.685 -0.895 -4.607 4 HD11 ILE 129 HD12 ILE 129 8.401 -0.392 -6.141 5 HD13 ILE 129 HD13 ILE 129 6.656 -0.292 -5.905 6 H ILE 129 HN ILE 129 5.730 3.203 -4.609 No H/Q in entry = 6 In of MODEL 6 1 HA GLU 130 HA GLU 130 7.418 5.921 -8.801 2 HB2 GLU 130 HB2 GLU 130 4.681 6.648 -7.743 3 HG2 GLU 130 HG2 GLU 130 5.465 4.966 -10.103 4 H GLU 130 HN GLU 130 5.904 4.659 -6.816 5 HB3 GLU 130 HB1 GLU 130 5.377 7.277 -9.226 6 HG3 GLU 130 HG1 GLU 130 4.629 4.426 -8.645 No H/Q in entry = 6 In of MODEL 6 1 HA LYS 131 HA LYS 131 6.859 9.795 -6.044 2 HB2 LYS 131 HB2 LYS 131 6.557 8.141 -3.530 3 HG2 LYS 131 HG2 LYS 131 4.568 10.073 -4.685 4 HD2 LYS 131 HD2 LYS 131 3.013 8.903 -3.227 5 HE2 LYS 131 HE2 LYS 131 5.519 9.893 -1.894 6 HZ1 LYS 131 HZ1 LYS 131 4.276 8.452 -0.382 7 HZ3 LYS 131 HZ2 LYS 131 2.876 9.381 -0.635 8 HZ2 LYS 131 HZ3 LYS 131 4.225 10.075 0.109 9 H LYS 131 HN LYS 131 6.227 7.066 -5.700 10 HB3 LYS 131 HB1 LYS 131 6.641 9.897 -3.565 11 HG3 LYS 131 HG1 LYS 131 4.540 8.349 -5.057 12 HD3 LYS 131 HD1 LYS 131 4.304 7.828 -2.688 13 HE3 LYS 131 HE1 LYS 131 4.030 10.785 -2.205 No H/Q in entry = 13 In of MODEL 6 1 HA ILE 132 HA ILE 132 10.886 8.752 -3.789 2 HB ILE 132 HB ILE 132 10.978 5.787 -4.288 3 HD12 ILE 132 HD11 ILE 132 11.382 5.358 -1.167 4 HD11 ILE 132 HD12 ILE 132 10.417 4.310 -2.206 5 HD13 ILE 132 HD13 ILE 132 9.674 5.098 -0.813 6 H ILE 132 HN ILE 132 8.662 7.131 -4.490 No H/Q in entry = 6 In of MODEL 6 1 HA GLN 133 HA GLN 133 12.712 6.807 -7.753 2 HB2 GLN 133 HB2 GLN 133 9.999 6.241 -8.944 3 HG2 GLN 133 HG2 GLN 133 10.842 4.550 -7.360 4 HE21 GLN 133 HE21 GLN 133 12.108 2.277 -8.672 5 HE22 GLN 133 HE22 GLN 133 13.812 2.540 -8.528 6 H GLN 133 HN GLN 133 10.162 6.676 -6.552 7 HB3 GLN 133 HB1 GLN 133 11.500 6.109 -9.848 8 HG3 GLN 133 HG1 GLN 133 10.669 3.950 -9.007 No H/Q in entry = 8 In of MODEL 6 1 HA LYS 134 HA LYS 134 10.972 10.349 -10.260 2 HB2 LYS 134 HB2 LYS 134 9.086 11.838 -10.053 3 HG2 LYS 134 HG2 LYS 134 8.177 10.390 -7.589 4 HD2 LYS 134 HD2 LYS 134 6.589 12.202 -7.436 5 HE2 LYS 134 HE2 LYS 134 5.324 11.923 -9.555 6 HZ1 LYS 134 HZ1 LYS 134 6.462 9.426 -8.429 7 HZ3 LYS 134 HZ2 LYS 134 5.070 9.517 -9.395 8 HZ2 LYS 134 HZ3 LYS 134 5.091 10.250 -7.864 9 H LYS 134 HN LYS 134 9.860 8.867 -8.074 10 HB3 LYS 134 HB1 LYS 134 8.528 10.181 -9.915 11 HG3 LYS 134 HG1 LYS 134 9.048 11.924 -7.529 12 HD3 LYS 134 HD1 LYS 134 7.326 13.012 -8.818 13 HE3 LYS 134 HE1 LYS 134 6.708 11.057 -10.220 No H/Q in entry = 13 In of MODEL 6 1 HA3 GLY 135 HA2 GLY 135 12.896 11.723 -5.723 2 H GLY 135 HN GLY 135 11.121 10.570 -6.802 3 HA2 GLY 135 HA1 GLY 135 12.992 12.810 -7.102 No H/Q in entry = 3 In of MODEL 7 1 H1 GLY 95 HT3 GLY 95 -8.375 6.702 -6.773 2 H2 GLY 95 HT2 GLY 95 -8.335 5.137 -7.437 3 H3 GLY 95 HT1 GLY 95 -7.348 5.523 -6.115 4 HA3 GLY 95 HA1 GLY 95 -5.970 6.908 -7.387 5 HA2 GLY 95 HA2 GLY 95 -6.177 5.413 -8.282 No H/Q in entry = 5 In of MODEL 7 1 HA ALA 96 HA ALA 96 -7.360 7.817 -11.574 2 HB1 ALA 96 HB1 ALA 96 -8.739 5.263 -12.379 3 HB2 ALA 96 HB2 ALA 96 -7.025 5.623 -12.595 4 HB3 ALA 96 HB3 ALA 96 -8.240 6.566 -13.459 5 H ALA 96 HN ALA 96 -7.815 5.409 -10.037 No H/Q in entry = 5 In of MODEL 7 1 HA MET 97 HA MET 97 -11.711 8.508 -10.332 2 HB2 MET 97 HB2 MET 97 -11.700 7.363 -12.763 3 HG2 MET 97 HG2 MET 97 -14.166 8.577 -11.541 4 HE1 MET 97 HE1 MET 97 -15.594 10.220 -13.192 5 HE3 MET 97 HE2 MET 97 -15.419 10.203 -14.947 6 HE2 MET 97 HE3 MET 97 -14.130 10.858 -13.937 7 H MET 97 HN MET 97 -10.218 6.047 -10.359 8 HB3 MET 97 HB1 MET 97 -13.043 6.484 -12.045 9 HG3 MET 97 HG1 MET 97 -12.811 9.479 -12.214 No H/Q in entry = 9 In of MODEL 7 1 HA GLU 98 HA GLU 98 -13.431 4.701 -8.141 2 HB2 GLU 98 HB2 GLU 98 -10.883 4.724 -6.514 3 HG2 GLU 98 HG2 GLU 98 -10.716 2.343 -7.496 4 H GLU 98 HN GLU 98 -10.953 5.959 -8.776 5 HB3 GLU 98 HB1 GLU 98 -12.226 3.610 -6.323 6 HG3 GLU 98 HG1 GLU 98 -11.729 2.987 -8.786 No H/Q in entry = 6 In of MODEL 7 1 HA PRO 99 HA PRO 99 -14.892 7.862 -5.358 2 HB2 PRO 99 HB2 PRO 99 -17.063 6.493 -4.452 3 HG2 PRO 99 HG2 PRO 99 -16.713 4.432 -5.403 4 HD2 PRO 99 HD2 PRO 99 -15.036 4.095 -6.916 5 HB3 PRO 99 HB1 PRO 99 -17.022 7.330 -6.005 6 HG3 PRO 99 HG1 PRO 99 -17.528 5.217 -6.768 7 HD3 PRO 99 HD1 PRO 99 -15.584 5.419 -7.959 No H/Q in entry = 7 In of MODEL 7 1 HA GLU 100 HA GLU 100 -12.747 6.637 -1.866 2 HB2 GLU 100 HB2 GLU 100 -12.867 9.138 -1.871 3 HG2 GLU 100 HG2 GLU 100 -13.059 7.964 0.887 4 H GLU 100 HN GLU 100 -14.424 8.285 -3.361 5 HB3 GLU 100 HB1 GLU 100 -14.325 9.021 -0.900 6 HG3 GLU 100 HG1 GLU 100 -11.594 8.048 -0.095 No H/Q in entry = 6 In of MODEL 7 1 HA ASN 101 HA ASN 101 -16.677 6.120 0.860 2 HB2 ASN 101 HB2 ASN 101 -18.299 7.312 -0.761 3 HD21 ASN 101 HD21 ASN 101 -18.316 4.418 1.234 4 HD22 ASN 101 HD22 ASN 101 -19.751 4.819 2.119 5 H ASN 101 HN ASN 101 -16.213 7.189 -1.642 6 HB3 ASN 101 HB1 ASN 101 -18.615 5.705 -1.402 No H/Q in entry = 6 In of MODEL 7 1 HA LYS 102 HA LYS 102 -16.798 1.910 -0.840 2 HB2 LYS 102 HB2 LYS 102 -17.168 0.953 -2.994 3 HG2 LYS 102 HG2 LYS 102 -17.123 2.549 -5.028 4 HD2 LYS 102 HD2 LYS 102 -14.845 1.886 -5.631 5 HE2 LYS 102 HE2 LYS 102 -15.047 -0.518 -5.365 6 HZ3 LYS 102 HZ1 LYS 102 -17.821 0.446 -5.621 7 HZ2 LYS 102 HZ2 LYS 102 -17.046 -0.801 -6.466 8 HZ1 LYS 102 HZ3 LYS 102 -16.668 0.816 -6.806 9 H LYS 102 HN LYS 102 -16.294 4.435 -2.216 10 HB3 LYS 102 HB1 LYS 102 -18.024 2.485 -2.927 11 HG3 LYS 102 HG1 LYS 102 -15.923 3.437 -4.094 12 HD3 LYS 102 HD1 LYS 102 -14.538 1.420 -3.959 13 HE3 LYS 102 HE1 LYS 102 -16.256 -0.292 -4.103 No H/Q in entry = 13 In of MODEL 7 1 HA TYR 103 HA TYR 103 -12.288 1.966 -2.574 2 HB2 TYR 103 HB2 TYR 103 -12.164 4.303 -3.245 3 HD1 TYR 103 HD1 TYR 103 -10.152 2.559 -3.741 4 HD2 TYR 103 HD2 TYR 103 -10.220 5.516 -0.691 5 HE1 TYR 103 HE1 TYR 103 -7.696 2.598 -3.737 6 HE2 TYR 103 HE2 TYR 103 -7.765 5.564 -0.661 7 HH TYR 103 HH TYR 103 -5.880 4.254 -1.311 8 H TYR 103 HN TYR 103 -14.309 3.835 -2.103 9 HB3 TYR 103 HB1 TYR 103 -12.197 4.820 -1.569 No H/Q in entry = 9 In of MODEL 7 1 HA LEU 104 HA LEU 104 -11.444 2.708 2.112 2 HB2 LEU 104 HB2 LEU 104 -13.146 4.294 2.714 3 HG LEU 104 HG LEU 104 -13.360 1.935 4.586 4 HD11 LEU 104 HD11 LEU 104 -11.063 2.719 4.249 5 HD13 LEU 104 HD12 LEU 104 -11.644 3.063 5.878 6 HD12 LEU 104 HD13 LEU 104 -11.564 4.353 4.681 7 HD21 LEU 104 HD21 LEU 104 -15.183 3.559 4.862 8 HD23 LEU 104 HD22 LEU 104 -13.993 4.847 5.045 9 HD22 LEU 104 HD23 LEU 104 -14.084 3.555 6.242 10 H LEU 104 HN LEU 104 -13.595 3.279 0.396 11 HB3 LEU 104 HB1 LEU 104 -14.388 3.064 2.641 No H/Q in entry = 11 In of MODEL 7 1 HA PRO 105 HA PRO 105 -13.845 -1.309 3.410 2 HB2 PRO 105 HB2 PRO 105 -15.546 -2.357 1.518 3 HG2 PRO 105 HG2 PRO 105 -15.392 -0.577 0.006 4 HD2 PRO 105 HD2 PRO 105 -14.784 1.574 0.680 5 HB3 PRO 105 HB1 PRO 105 -16.082 -1.308 2.838 6 HG3 PRO 105 HG1 PRO 105 -16.810 -0.103 0.957 7 HD3 PRO 105 HD1 PRO 105 -15.581 1.402 2.260 No H/Q in entry = 7 In of MODEL 7 1 HA GLU 106 HA GLU 106 -12.111 -3.330 -0.601 2 HB2 GLU 106 HB2 GLU 106 -11.178 -0.653 -1.632 3 HG2 GLU 106 HG2 GLU 106 -13.451 -2.407 -2.378 4 H GLU 106 HN GLU 106 -13.086 -0.771 0.002 5 HB3 GLU 106 HB1 GLU 106 -10.806 -2.211 -2.352 6 HG3 GLU 106 HG1 GLU 106 -13.320 -0.651 -2.379 No H/Q in entry = 6 In of MODEL 7 1 HA LEU 107 HA LEU 107 -7.930 -1.504 0.869 2 HB2 LEU 107 HB2 LEU 107 -9.270 0.609 2.553 3 HG LEU 107 HG LEU 107 -9.028 1.177 0.119 4 HD13 LEU 107 HD11 LEU 107 -9.133 2.879 1.857 5 HD12 LEU 107 HD12 LEU 107 -8.027 3.363 0.571 6 HD11 LEU 107 HD13 LEU 107 -7.392 2.751 2.100 7 HD22 LEU 107 HD21 LEU 107 -6.959 -0.030 -0.321 8 HD21 LEU 107 HD22 LEU 107 -6.098 1.014 0.812 9 HD23 LEU 107 HD23 LEU 107 -6.767 1.689 -0.675 10 H LEU 107 HN LEU 107 -10.564 -0.472 0.781 11 HB3 LEU 107 HB1 LEU 107 -7.553 0.259 2.580 No H/Q in entry = 11 In of MODEL 7 1 HA MET 108 HA MET 108 -9.074 -2.565 5.386 2 HB2 MET 108 HB2 MET 108 -11.107 -2.822 6.538 3 HG2 MET 108 HG2 MET 108 -12.610 -2.345 3.983 4 HE3 MET 108 HE1 MET 108 -14.480 -0.144 6.681 5 HE2 MET 108 HE2 MET 108 -13.755 -0.149 5.073 6 HE1 MET 108 HE3 MET 108 -12.735 -0.343 6.500 7 H MET 108 HN MET 108 -10.550 -1.399 3.270 8 HB3 MET 108 HB1 MET 108 -11.189 -1.308 5.660 9 HG3 MET 108 HG1 MET 108 -12.499 -3.885 4.834 No H/Q in entry = 9 In of MODEL 7 1 HA ALA 109 HA ALA 109 -10.917 -6.622 3.865 2 HB2 ALA 109 HB1 ALA 109 -11.369 -5.729 1.012 3 HB1 ALA 109 HB2 ALA 109 -12.614 -5.990 2.234 4 HB3 ALA 109 HB3 ALA 109 -11.671 -7.352 1.633 5 H ALA 109 HN ALA 109 -11.000 -3.999 2.785 No H/Q in entry = 5 In of MODEL 7 1 HA GLU 110 HA GLU 110 -7.224 -7.211 0.952 2 HB2 GLU 110 HB2 GLU 110 -6.733 -4.252 0.567 3 HG2 GLU 110 HG2 GLU 110 -7.462 -6.383 -1.430 4 H GLU 110 HN GLU 110 -8.939 -4.977 1.422 5 HB3 GLU 110 HB1 GLU 110 -5.660 -5.517 -0.003 6 HG3 GLU 110 HG1 GLU 110 -8.503 -5.067 -0.882 No H/Q in entry = 6 In of MODEL 7 1 HA LYS 111 HA LYS 111 -4.667 -4.876 4.287 2 HB2 LYS 111 HB2 LYS 111 -5.666 -2.831 4.812 3 HG2 LYS 111 HG2 LYS 111 -6.119 -4.494 7.275 4 HD2 LYS 111 HD2 LYS 111 -5.559 -1.548 7.071 5 HE2 LYS 111 HE2 LYS 111 -6.292 -1.524 9.399 6 HZ2 LYS 111 HZ1 LYS 111 -4.404 -2.554 10.376 7 HZ1 LYS 111 HZ2 LYS 111 -3.909 -1.937 8.876 8 HZ3 LYS 111 HZ3 LYS 111 -4.194 -3.600 9.056 9 H LYS 111 HN LYS 111 -7.187 -4.460 3.130 10 HB3 LYS 111 HB1 LYS 111 -7.189 -3.579 5.271 11 HG3 LYS 111 HG1 LYS 111 -4.604 -3.712 6.816 12 HD3 LYS 111 HD1 LYS 111 -7.181 -2.218 7.244 13 HE3 LYS 111 HE1 LYS 111 -6.525 -3.268 9.347 No H/Q in entry = 13 In of MODEL 7 1 HA ASP 112 HA ASP 112 -6.924 -7.567 7.498 2 HB2 ASP 112 HB2 ASP 112 -9.259 -6.989 7.260 3 H ASP 112 HN ASP 112 -7.847 -6.141 5.242 4 HB3 ASP 112 HB1 ASP 112 -9.385 -7.936 5.782 No H/Q in entry = 4 In of MODEL 7 1 HA SER 113 HA SER 113 -6.689 -11.208 4.655 2 HB2 SER 113 HB2 SER 113 -7.066 -9.747 2.038 3 HG SER 113 HG SER 113 -8.947 -9.565 3.126 4 H SER 113 HN SER 113 -7.044 -8.368 4.106 5 HB3 SER 113 HB1 SER 113 -7.081 -11.496 2.255 No H/Q in entry = 5 In of MODEL 7 1 HA LEU 114 HA LEU 114 -2.799 -9.811 2.313 2 HB2 LEU 114 HB2 LEU 114 -3.374 -7.316 2.513 3 HG LEU 114 HG LEU 114 -0.538 -8.306 2.341 4 HD11 LEU 114 HD11 LEU 114 -2.442 -7.074 0.350 5 HD13 LEU 114 HD12 LEU 114 -1.992 -8.777 0.452 6 HD12 LEU 114 HD13 LEU 114 -0.784 -7.570 0.007 7 HD23 LEU 114 HD21 LEU 114 -1.424 -5.460 1.959 8 HD22 LEU 114 HD22 LEU 114 0.207 -6.104 1.757 9 HD21 LEU 114 HD23 LEU 114 -0.531 -6.053 3.358 10 H LEU 114 HN LEU 114 -4.751 -8.514 3.949 11 HB3 LEU 114 HB1 LEU 114 -2.340 -7.325 3.929 No H/Q in entry = 11 In of MODEL 7 1 HA ASP 115 HA ASP 115 -0.542 -11.723 5.459 2 HB2 ASP 115 HB2 ASP 115 0.287 -12.736 3.293 3 H ASP 115 HN ASP 115 -0.776 -10.547 2.867 4 HB3 ASP 115 HB1 ASP 115 1.595 -11.556 3.324 No H/Q in entry = 4 In of MODEL 7 1 HA PRO 116 HA PRO 116 1.333 -8.318 7.535 2 HB2 PRO 116 HB2 PRO 116 2.467 -9.702 9.606 3 HG2 PRO 116 HG2 PRO 116 2.163 -11.844 8.762 4 HD2 PRO 116 HD2 PRO 116 0.610 -12.316 7.098 5 HB3 PRO 116 HB1 PRO 116 0.744 -9.314 9.511 6 HG3 PRO 116 HG1 PRO 116 0.659 -11.640 9.683 7 HD3 PRO 116 HD1 PRO 116 -0.595 -11.195 7.772 No H/Q in entry = 7 In of MODEL 7 1 HA SER 117 HA SER 117 5.751 -10.149 7.067 2 HB2 SER 117 HB2 SER 117 5.276 -12.373 6.104 3 HG SER 117 HG SER 117 7.315 -10.745 5.350 4 H SER 117 HN SER 117 3.178 -10.968 6.281 5 HB3 SER 117 HB1 SER 117 4.966 -11.621 4.538 No H/Q in entry = 5 In of MODEL 7 1 HA PHE 118 HA PHE 118 5.659 -7.243 3.498 2 HB2 PHE 118 HB2 PHE 118 2.678 -7.273 2.982 3 HD1 PHE 118 HD1 PHE 118 2.632 -9.753 3.028 4 HD2 PHE 118 HD2 PHE 118 5.131 -7.574 0.363 5 HE1 PHE 118 HE1 PHE 118 2.891 -11.757 1.640 6 HE2 PHE 118 HE2 PHE 118 5.386 -9.573 -1.033 7 HZ PHE 118 HZ PHE 118 4.271 -11.677 -0.401 8 H PHE 118 HN PHE 118 3.566 -8.841 4.774 9 HB3 PHE 118 HB1 PHE 118 3.892 -6.442 2.016 No H/Q in entry = 9 In of MODEL 7 1 HA THR 119 HA THR 119 4.593 -4.818 7.133 2 HB THR 119 HB THR 119 7.284 -3.809 6.206 3 HG1 THR 119 HG1 THR 119 7.745 -5.806 6.878 4 HG21 THR 119 HG21 THR 119 6.045 -2.221 7.607 5 HG23 THR 119 HG22 THR 119 7.441 -2.875 8.466 6 HG22 THR 119 HG23 THR 119 5.822 -3.472 8.830 7 H THR 119 HN THR 119 6.259 -6.030 5.283 No H/Q in entry = 7 In of MODEL 7 1 HA HIS 120 HA HIS 120 4.907 -0.799 4.818 2 HB2 HIS 120 HB2 HIS 120 6.383 -1.831 2.406 3 HD1 HIS 120 HD1 HIS 120 6.666 0.732 5.228 4 HD2 HIS 120 HD2 HIS 120 8.998 -1.912 3.022 5 HE1 HIS 120 HE1 HIS 120 8.982 0.900 6.194 6 HE2 HIS 120 HE2 HIS 120 10.406 -0.644 4.799 7 H HIS 120 HN HIS 120 6.112 -3.325 4.263 8 HB3 HIS 120 HB1 HIS 120 5.820 -0.173 2.570 No H/Q in entry = 8 In of MODEL 7 1 HA ALA 121 HA ALA 121 2.064 -2.253 1.197 2 HB1 ALA 121 HB1 ALA 121 1.374 -4.463 0.619 3 HB3 ALA 121 HB2 ALA 121 2.216 -5.147 2.009 4 HB2 ALA 121 HB3 ALA 121 3.136 -4.451 0.675 5 H ALA 121 HN ALA 121 4.194 -3.444 2.576 No H/Q in entry = 5 In of MODEL 7 1 HA MET 122 HA MET 122 -0.633 -3.813 4.767 2 HB2 MET 122 HB2 MET 122 1.795 -4.486 6.390 3 HG2 MET 122 HG2 MET 122 0.469 -6.107 4.837 4 HE1 MET 122 HE1 MET 122 -2.059 -5.345 4.452 5 HE3 MET 122 HE2 MET 122 -2.085 -4.280 5.859 6 HE2 MET 122 HE3 MET 122 -3.334 -5.507 5.658 7 H MET 122 HN MET 122 2.153 -3.997 4.222 8 HB3 MET 122 HB1 MET 122 0.235 -4.289 7.176 9 HG3 MET 122 HG1 MET 122 1.089 -6.631 6.401 No H/Q in entry = 9 In of MODEL 7 1 HA GLN 123 HA GLN 123 0.785 -0.146 7.362 2 HB2 GLN 123 HB2 GLN 123 3.083 -0.133 7.720 3 HG2 GLN 123 HG2 GLN 123 2.775 2.193 5.841 4 HE21 GLN 123 HE21 GLN 123 4.349 2.149 8.925 5 HE22 GLN 123 HE22 GLN 123 5.960 2.377 8.338 6 H GLN 123 HN GLN 123 2.159 -1.863 5.585 7 HB3 GLN 123 HB1 GLN 123 3.448 -0.184 6.004 8 HG3 GLN 123 HG1 GLN 123 2.559 2.212 7.592 No H/Q in entry = 8 In of MODEL 7 1 HA LEU 124 HA LEU 124 0.522 2.731 3.721 2 HB2 LEU 124 HB2 LEU 124 0.899 0.637 1.566 3 HG LEU 124 HG LEU 124 2.990 1.494 2.709 4 HD13 LEU 124 HD11 LEU 124 3.076 0.519 0.499 5 HD12 LEU 124 HD12 LEU 124 4.178 1.891 0.598 6 HD11 LEU 124 HD13 LEU 124 2.631 2.063 -0.229 7 HD22 LEU 124 HD21 LEU 124 2.283 3.780 3.107 8 HD21 LEU 124 HD22 LEU 124 2.151 4.066 1.371 9 HD23 LEU 124 HD23 LEU 124 3.728 3.754 2.097 10 H LEU 124 HN LEU 124 1.559 0.136 3.913 11 HB3 LEU 124 HB1 LEU 124 0.487 2.311 1.240 No H/Q in entry = 11 In of MODEL 7 1 HA LEU 125 HA LEU 125 -3.502 0.423 2.411 2 HB2 LEU 125 HB2 LEU 125 -2.502 -1.971 3.913 3 HG LEU 125 HG LEU 125 -2.373 -1.952 1.406 4 HD11 LEU 125 HD11 LEU 125 -2.349 -3.989 2.756 5 HD13 LEU 125 HD12 LEU 125 -3.202 -4.242 1.236 6 HD12 LEU 125 HD13 LEU 125 -4.111 -4.033 2.729 7 HD23 LEU 125 HD21 LEU 125 -4.476 -2.395 0.207 8 HD22 LEU 125 HD22 LEU 125 -4.464 -0.790 0.939 9 HD21 LEU 125 HD23 LEU 125 -5.378 -2.097 1.697 10 H LEU 125 HN LEU 125 -0.972 -0.427 3.420 11 HB3 LEU 125 HB1 LEU 125 -4.225 -1.715 3.769 No H/Q in entry = 11 In of MODEL 7 1 HA THR 126 HA THR 126 -4.490 0.560 6.975 2 HB THR 126 HB THR 126 -1.618 0.820 7.889 3 HG1 THR 126 HG1 THR 126 -1.932 -1.289 7.650 4 HG23 THR 126 HG21 THR 126 -3.026 2.194 9.325 5 HG22 THR 126 HG22 THR 126 -2.496 0.747 10.185 6 HG21 THR 126 HG23 THR 126 -4.140 0.843 9.553 7 H THR 126 HN THR 126 -2.055 0.160 5.579 No H/Q in entry = 7 In of MODEL 7 1 HA ALA 127 HA ALA 127 -2.611 4.970 7.374 2 HB1 ALA 127 HB1 ALA 127 -0.359 4.617 6.552 3 HB2 ALA 127 HB2 ALA 127 -1.035 6.117 5.918 4 HB3 ALA 127 HB3 ALA 127 -0.937 4.688 4.889 5 H ALA 127 HN ALA 127 -1.779 2.646 6.075 No H/Q in entry = 5 In of MODEL 7 1 HA GLU 128 HA GLU 128 -4.485 6.161 3.115 2 HB2 GLU 128 HB2 GLU 128 -3.703 4.297 1.656 3 HG2 GLU 128 HG2 GLU 128 -5.566 4.363 0.063 4 H GLU 128 HN GLU 128 -3.160 3.877 4.008 5 HB3 GLU 128 HB1 GLU 128 -5.083 3.354 2.197 6 HG3 GLU 128 HG1 GLU 128 -6.590 5.057 1.307 No H/Q in entry = 6 In of MODEL 7 1 HA ILE 129 HA ILE 129 -8.416 3.931 4.642 2 HB ILE 129 HB ILE 129 -6.847 2.404 6.720 3 HD11 ILE 129 HD11 ILE 129 -6.752 -0.082 6.194 4 HD13 ILE 129 HD12 ILE 129 -7.671 -0.700 4.821 5 HD12 ILE 129 HD13 ILE 129 -8.511 -0.160 6.276 6 H ILE 129 HN ILE 129 -5.693 3.326 4.759 No H/Q in entry = 6 In of MODEL 7 1 HA GLU 130 HA GLU 130 -7.451 6.262 8.777 2 HB2 GLU 130 HB2 GLU 130 -4.678 6.901 7.778 3 HG2 GLU 130 HG2 GLU 130 -5.617 5.341 10.171 4 H GLU 130 HN GLU 130 -5.895 4.943 6.878 5 HB3 GLU 130 HB1 GLU 130 -5.405 7.618 9.206 6 HG3 GLU 130 HG1 GLU 130 -4.738 4.719 8.774 No H/Q in entry = 6 In of MODEL 7 1 HA LYS 131 HA LYS 131 -6.877 10.117 5.900 2 HB2 LYS 131 HB2 LYS 131 -6.571 8.314 3.509 3 HG2 LYS 131 HG2 LYS 131 -4.889 10.165 2.900 4 HD2 LYS 131 HD2 LYS 131 -3.952 8.650 5.273 5 HE2 LYS 131 HE2 LYS 131 -2.395 9.861 3.797 6 HZ3 LYS 131 HZ1 LYS 131 -3.252 7.912 1.712 7 HZ2 LYS 131 HZ2 LYS 131 -2.007 9.055 1.572 8 HZ1 LYS 131 HZ3 LYS 131 -3.612 9.570 1.705 9 H LYS 131 HN LYS 131 -6.129 7.427 5.676 10 HB3 LYS 131 HB1 LYS 131 -7.132 9.963 3.318 11 HG3 LYS 131 HG1 LYS 131 -4.974 10.581 4.612 12 HD3 LYS 131 HD1 LYS 131 -4.533 7.738 3.881 13 HE3 LYS 131 HE1 LYS 131 -2.098 8.123 3.819 No H/Q in entry = 13 In of MODEL 7 1 HA ILE 132 HA ILE 132 -10.927 8.902 3.781 2 HB ILE 132 HB ILE 132 -10.982 5.973 4.443 3 HD12 ILE 132 HD11 ILE 132 -11.203 5.357 1.307 4 HD11 ILE 132 HD12 ILE 132 -10.327 4.379 2.485 5 HD13 ILE 132 HD13 ILE 132 -9.473 5.068 1.103 6 H ILE 132 HN ILE 132 -8.679 7.374 4.562 No H/Q in entry = 6 In of MODEL 7 1 HA GLN 133 HA GLN 133 -12.722 7.200 7.856 2 HB2 GLN 133 HB2 GLN 133 -10.008 6.692 9.078 3 HG2 GLN 133 HG2 GLN 133 -10.839 4.964 7.496 4 HE21 GLN 133 HE21 GLN 133 -11.983 2.674 8.853 5 HE22 GLN 133 HE22 GLN 133 -13.704 2.870 8.773 6 H GLN 133 HN GLN 133 -10.157 7.026 6.666 7 HB3 GLN 133 HB1 GLN 133 -11.526 6.554 9.955 8 HG3 GLN 133 HG1 GLN 133 -10.598 4.404 9.148 No H/Q in entry = 8 In of MODEL 7 1 HA LYS 134 HA LYS 134 -10.822 10.763 10.257 2 HB2 LYS 134 HB2 LYS 134 -8.877 12.155 9.977 3 HG2 LYS 134 HG2 LYS 134 -8.356 10.731 7.379 4 HD2 LYS 134 HD2 LYS 134 -6.423 12.239 7.225 5 HE2 LYS 134 HE2 LYS 134 -6.397 10.623 9.772 6 HZ2 LYS 134 HZ1 LYS 134 -4.446 12.009 9.538 7 HZ1 LYS 134 HZ2 LYS 134 -4.199 11.452 7.957 8 HZ3 LYS 134 HZ3 LYS 134 -4.033 10.387 9.265 9 H LYS 134 HN LYS 134 -9.830 9.214 8.061 10 HB3 LYS 134 HB1 LYS 134 -8.397 10.475 9.810 11 HG3 LYS 134 HG1 LYS 134 -8.823 12.424 7.558 12 HD3 LYS 134 HD1 LYS 134 -6.770 12.841 8.847 13 HE3 LYS 134 HE1 LYS 134 -6.119 9.977 8.154 No H/Q in entry = 13 In of MODEL 7 1 HA3 GLY 135 HA2 GLY 135 -12.365 12.349 5.498 2 H GLY 135 HN GLY 135 -10.927 11.059 6.768 3 HA2 GLY 135 HA1 GLY 135 -13.028 13.008 6.987 No H/Q in entry = 3 In of MODEL 7 1 H1 GLY 95 HT3 GLY 95 8.476 6.460 7.023 2 H2 GLY 95 HT2 GLY 95 8.413 4.894 7.676 3 H3 GLY 95 HT1 GLY 95 7.431 5.297 6.357 4 HA2 GLY 95 HA2 GLY 95 6.254 5.201 8.519 5 HA3 GLY 95 HA1 GLY 95 6.082 6.710 7.638 No H/Q in entry = 5 In of MODEL 7 1 HA ALA 96 HA ALA 96 7.494 7.539 11.832 2 HB3 ALA 96 HB1 ALA 96 8.821 4.948 12.594 3 HB2 ALA 96 HB2 ALA 96 7.116 5.337 12.817 4 HB1 ALA 96 HB3 ALA 96 8.349 6.241 13.696 5 H ALA 96 HN ALA 96 7.886 5.142 10.275 No H/Q in entry = 5 In of MODEL 7 1 HA MET 97 HA MET 97 11.864 8.166 10.577 2 HB2 MET 97 HB2 MET 97 11.826 6.991 12.994 3 HG2 MET 97 HG2 MET 97 14.316 8.174 11.791 4 HE1 MET 97 HE1 MET 97 15.763 9.769 13.459 5 HE3 MET 97 HE2 MET 97 15.591 9.738 15.213 6 HE2 MET 97 HE3 MET 97 14.319 10.439 14.212 7 H MET 97 HN MET 97 10.318 5.736 10.580 8 HB3 MET 97 HB1 MET 97 13.154 6.100 12.265 9 HG3 MET 97 HG1 MET 97 12.971 9.094 12.461 No H/Q in entry = 9 In of MODEL 7 1 HA GLU 98 HA GLU 98 13.508 4.351 8.349 2 HB2 GLU 98 HB2 GLU 98 10.955 4.438 6.732 3 HG2 GLU 98 HG2 GLU 98 10.745 2.050 7.672 4 H GLU 98 HN GLU 98 11.055 5.655 8.996 5 HB3 GLU 98 HB1 GLU 98 12.280 3.306 6.518 6 HG3 GLU 98 HG1 GLU 98 11.783 2.642 8.968 No H/Q in entry = 6 In of MODEL 7 1 HA PRO 99 HA PRO 99 15.016 7.514 5.595 2 HB2 PRO 99 HB2 PRO 99 17.163 6.116 4.673 3 HG2 PRO 99 HG2 PRO 99 16.770 4.049 5.601 4 HD2 PRO 99 HD2 PRO 99 15.092 3.731 7.123 5 HB3 PRO 99 HB1 PRO 99 17.136 6.936 6.237 6 HG3 PRO 99 HG1 PRO 99 17.605 4.803 6.972 7 HD3 PRO 99 HD1 PRO 99 15.672 5.034 8.173 No H/Q in entry = 7 In of MODEL 7 1 HA GLU 100 HA GLU 100 12.841 6.360 2.093 2 HB2 GLU 100 HB2 GLU 100 13.006 8.860 2.121 3 HG2 GLU 100 HG2 GLU 100 13.176 7.703 -0.648 4 H GLU 100 HN GLU 100 14.545 7.962 3.605 5 HB3 GLU 100 HB1 GLU 100 14.459 8.723 1.149 6 HG3 GLU 100 HG1 GLU 100 11.712 7.814 0.333 No H/Q in entry = 6 In of MODEL 7 1 HA ASN 101 HA ASN 101 16.761 5.798 -0.644 2 HB2 ASN 101 HB2 ASN 101 18.408 6.946 0.981 3 HD21 ASN 101 HD21 ASN 101 18.359 4.073 -1.042 4 HD22 ASN 101 HD22 ASN 101 19.806 4.452 -1.917 5 H ASN 101 HN ASN 101 16.319 6.857 1.867 6 HB3 ASN 101 HB1 ASN 101 18.692 5.330 1.611 No H/Q in entry = 6 In of MODEL 7 1 HA LYS 102 HA LYS 102 16.801 1.578 1.012 2 HB2 LYS 102 HB2 LYS 102 17.164 0.592 3.154 3 HG2 LYS 102 HG2 LYS 102 17.148 2.163 5.206 4 HD2 LYS 102 HD2 LYS 102 14.861 1.530 5.805 5 HE2 LYS 102 HE2 LYS 102 15.022 -0.875 5.500 6 HZ3 LYS 102 HZ1 LYS 102 17.809 0.051 5.786 7 HZ2 LYS 102 HZ2 LYS 102 17.018 -1.210 6.597 8 HZ1 LYS 102 HZ3 LYS 102 16.651 0.403 6.974 9 H LYS 102 HN LYS 102 16.345 4.094 2.414 10 HB3 LYS 102 HB1 LYS 102 18.043 2.112 3.102 11 HG3 LYS 102 HG1 LYS 102 15.961 3.082 4.286 12 HD3 LYS 102 HD1 LYS 102 14.542 1.090 4.126 13 HE3 LYS 102 HE1 LYS 102 16.239 -0.649 4.245 No H/Q in entry = 13 In of MODEL 7 1 HA TYR 103 HA TYR 103 12.300 1.694 2.757 2 HB2 TYR 103 HB2 TYR 103 12.223 4.023 3.448 3 HD1 TYR 103 HD1 TYR 103 10.179 2.307 3.931 4 HD2 TYR 103 HD2 TYR 103 10.298 5.295 0.912 5 HE1 TYR 103 HE1 TYR 103 7.720 2.401 3.932 6 HE2 TYR 103 HE2 TYR 103 7.846 5.395 0.888 7 HH TYR 103 HH TYR 103 5.934 4.109 1.529 8 H TYR 103 HN TYR 103 14.350 3.531 2.301 9 HB3 TYR 103 HB1 TYR 103 12.261 4.550 1.773 No H/Q in entry = 9 In of MODEL 7 1 HA LEU 104 HA LEU 104 11.464 2.498 -1.924 2 HB2 LEU 104 HB2 LEU 104 13.193 4.055 -2.512 3 HG LEU 104 HG LEU 104 13.363 1.716 -4.413 4 HD11 LEU 104 HD11 LEU 104 11.079 2.538 -4.056 5 HD13 LEU 104 HD12 LEU 104 11.660 2.884 -5.685 6 HD12 LEU 104 HD13 LEU 104 11.609 4.165 -4.477 7 HD21 LEU 104 HD21 LEU 104 15.217 3.309 -4.667 8 HD23 LEU 104 HD22 LEU 104 14.050 4.621 -4.838 9 HD22 LEU 104 HD23 LEU 104 14.120 3.341 -6.048 10 H LEU 104 HN LEU 104 13.627 3.010 -0.203 11 HB3 LEU 104 HB1 LEU 104 14.411 2.800 -2.454 No H/Q in entry = 11 In of MODEL 7 1 HA PRO 105 HA PRO 105 13.786 -1.548 -3.264 2 HB2 PRO 105 HB2 PRO 105 15.467 -2.649 -1.390 3 HG2 PRO 105 HG2 PRO 105 15.351 -0.880 0.143 4 HD2 PRO 105 HD2 PRO 105 14.783 1.289 -0.508 5 HB3 PRO 105 HB1 PRO 105 16.019 -1.596 -2.700 6 HG3 PRO 105 HG1 PRO 105 16.777 -0.424 -0.806 7 HD3 PRO 105 HD1 PRO 105 15.576 1.119 -2.091 No H/Q in entry = 7 In of MODEL 7 1 HA GLU 106 HA GLU 106 12.021 -3.580 0.726 2 HB2 GLU 106 HB2 GLU 106 11.139 -0.898 1.788 3 HG2 GLU 106 HG2 GLU 106 13.386 -2.699 2.510 4 H GLU 106 HN GLU 106 13.043 -1.032 0.151 5 HB3 GLU 106 HB1 GLU 106 10.744 -2.458 2.489 6 HG3 GLU 106 HG1 GLU 106 13.285 -0.940 2.536 No H/Q in entry = 6 In of MODEL 7 1 HA LEU 107 HA LEU 107 7.871 -1.663 -0.722 2 HB2 LEU 107 HB2 LEU 107 9.251 0.442 -2.384 3 HG LEU 107 HG LEU 107 9.021 0.990 0.057 4 HD13 LEU 107 HD11 LEU 107 9.159 2.708 -1.663 5 HD12 LEU 107 HD12 LEU 107 8.061 3.201 -0.373 6 HD11 LEU 107 HD13 LEU 107 7.414 2.618 -1.909 7 HD22 LEU 107 HD21 LEU 107 6.935 -0.184 0.492 8 HD21 LEU 107 HD22 LEU 107 6.087 0.882 -0.630 9 HD23 LEU 107 HD23 LEU 107 6.768 1.534 0.860 10 H LEU 107 HN LEU 107 10.522 -0.681 -0.624 11 HB3 LEU 107 HB1 LEU 107 7.530 0.126 -2.412 No H/Q in entry = 11 In of MODEL 7 1 HA MET 108 HA MET 108 8.988 -2.698 -5.252 2 HB2 MET 108 HB2 MET 108 11.016 -2.979 -6.411 3 HG2 MET 108 HG2 MET 108 12.529 -2.558 -3.852 4 HE3 MET 108 HE1 MET 108 14.445 -0.358 -6.519 5 HE2 MET 108 HE2 MET 108 13.718 -0.371 -4.912 6 HE1 MET 108 HE3 MET 108 12.695 -0.523 -6.341 7 H MET 108 HN MET 108 10.491 -1.582 -3.120 8 HB3 MET 108 HB1 MET 108 11.129 -1.475 -5.519 9 HG3 MET 108 HG1 MET 108 12.390 -4.086 -4.721 No H/Q in entry = 9 In of MODEL 7 1 HA ALA 109 HA ALA 109 10.765 -6.801 -3.769 2 HB3 ALA 109 HB1 ALA 109 11.237 -5.941 -0.910 3 HB1 ALA 109 HB2 ALA 109 12.473 -6.217 -2.138 4 HB2 ALA 109 HB3 ALA 109 11.505 -7.565 -1.545 5 H ALA 109 HN ALA 109 10.896 -4.189 -2.669 No H/Q in entry = 5 In of MODEL 7 1 HA GLU 110 HA GLU 110 7.062 -7.352 -0.859 2 HB2 GLU 110 HB2 GLU 110 6.631 -4.388 -0.440 3 HG2 GLU 110 HG2 GLU 110 7.328 -6.558 1.525 4 H GLU 110 HN GLU 110 8.817 -5.140 -1.311 5 HB3 GLU 110 HB1 GLU 110 5.534 -5.641 0.119 6 HG3 GLU 110 HG1 GLU 110 8.387 -5.251 1.000 No H/Q in entry = 6 In of MODEL 7 1 HA LYS 111 HA LYS 111 4.542 -4.940 -4.165 2 HB2 LYS 111 HB2 LYS 111 5.581 -2.909 -4.673 3 HG2 LYS 111 HG2 LYS 111 5.997 -4.555 -7.155 4 HD2 LYS 111 HD2 LYS 111 5.494 -1.601 -6.917 5 HE2 LYS 111 HE2 LYS 111 6.234 -1.566 -9.248 6 HZ2 LYS 111 HZ1 LYS 111 4.318 -2.519 -10.238 7 HZ1 LYS 111 HZ2 LYS 111 3.839 -1.923 -8.725 8 HZ3 LYS 111 HZ3 LYS 111 4.080 -3.587 -8.943 9 H LYS 111 HN LYS 111 7.070 -4.579 -3.010 10 HB3 LYS 111 HB1 LYS 111 7.086 -3.682 -5.144 11 HG3 LYS 111 HG1 LYS 111 4.498 -3.749 -6.684 12 HD3 LYS 111 HD1 LYS 111 7.103 -2.299 -7.102 13 HE3 LYS 111 HE1 LYS 111 6.417 -3.318 -9.215 No H/Q in entry = 13 In of MODEL 7 1 HA ASP 112 HA ASP 112 6.751 -7.641 -7.407 2 HB2 ASP 112 HB2 ASP 112 9.098 -7.108 -7.180 3 H ASP 112 HN ASP 112 7.700 -6.245 -5.138 4 HB3 ASP 112 HB1 ASP 112 9.214 -8.057 -5.702 No H/Q in entry = 4 In of MODEL 7 1 HA SER 113 HA SER 113 6.447 -11.303 -4.597 2 HB2 SER 113 HB2 SER 113 6.854 -9.873 -1.971 3 HG SER 113 HG SER 113 8.740 -9.723 -3.056 4 H SER 113 HN SER 113 6.852 -8.477 -4.021 5 HB3 SER 113 HB1 SER 113 6.832 -11.618 -2.200 No H/Q in entry = 5 In of MODEL 7 1 HA LEU 114 HA LEU 114 2.590 -9.854 -2.239 2 HB2 LEU 114 HB2 LEU 114 3.209 -7.366 -2.414 3 HG LEU 114 HG LEU 114 0.361 -8.312 -2.247 4 HD11 LEU 114 HD11 LEU 114 2.289 -7.132 -0.249 5 HD13 LEU 114 HD12 LEU 114 1.807 -8.825 -0.366 6 HD12 LEU 114 HD13 LEU 114 0.625 -7.599 0.094 7 HD23 LEU 114 HD21 LEU 114 1.289 -5.481 -1.842 8 HD22 LEU 114 HD22 LEU 114 -0.351 -6.102 -1.649 9 HD21 LEU 114 HD23 LEU 114 0.393 -6.047 -3.247 10 H LEU 114 HN LEU 114 4.564 -8.578 -3.868 11 HB3 LEU 114 HB1 LEU 114 2.174 -7.343 -3.829 No H/Q in entry = 11 In of MODEL 7 1 HA ASP 115 HA ASP 115 0.294 -11.700 -5.401 2 HB2 ASP 115 HB2 ASP 115 -0.543 -12.710 -3.238 3 H ASP 115 HN ASP 115 0.555 -10.554 -2.800 4 HB3 ASP 115 HB1 ASP 115 -1.831 -11.511 -3.259 No H/Q in entry = 4 In of MODEL 7 1 HA PRO 116 HA PRO 116 -1.517 -8.237 -7.440 2 HB2 PRO 116 HB2 PRO 116 -2.686 -9.576 -9.516 3 HG2 PRO 116 HG2 PRO 116 -2.416 -11.739 -8.698 4 HD2 PRO 116 HD2 PRO 116 -0.866 -12.250 -7.042 5 HB3 PRO 116 HB1 PRO 116 -0.958 -9.224 -9.423 6 HG3 PRO 116 HG1 PRO 116 -0.911 -11.549 -9.621 7 HD3 PRO 116 HD1 PRO 116 0.354 -11.145 -7.708 No H/Q in entry = 7 In of MODEL 7 1 HA SER 117 HA SER 117 -5.974 -9.994 -6.979 2 HB2 SER 117 HB2 SER 117 -5.550 -12.238 -6.041 3 HG SER 117 HG SER 117 -7.550 -10.595 -5.334 4 H SER 117 HN SER 117 -3.413 -10.865 -6.212 5 HB3 SER 117 HB1 SER 117 -5.196 -11.510 -4.474 No H/Q in entry = 5 In of MODEL 7 1 HA PHE 118 HA PHE 118 -5.826 -7.125 -3.385 2 HB2 PHE 118 HB2 PHE 118 -2.844 -7.205 -2.869 3 HD1 PHE 118 HD1 PHE 118 -2.843 -9.691 -2.945 4 HD2 PHE 118 HD2 PHE 118 -5.289 -7.489 -0.251 5 HE1 PHE 118 HE1 PHE 118 -3.142 -11.703 -1.585 6 HE2 PHE 118 HE2 PHE 118 -5.584 -9.496 1.124 7 HZ PHE 118 HZ PHE 118 -4.514 -11.618 0.464 8 H PHE 118 HN PHE 118 -3.757 -8.731 -4.689 9 HB3 PHE 118 HB1 PHE 118 -4.046 -6.369 -1.894 No H/Q in entry = 9 In of MODEL 7 1 HA THR 119 HA THR 119 -4.715 -4.682 -6.994 2 HB THR 119 HB THR 119 -7.381 -3.614 -6.059 3 HG1 THR 119 HG1 THR 119 -7.850 -5.623 -6.725 4 HG21 THR 119 HG21 THR 119 -6.117 -2.047 -7.443 5 HG23 THR 119 HG22 THR 119 -7.525 -2.669 -8.307 6 HG22 THR 119 HG23 THR 119 -5.917 -3.293 -8.677 7 H THR 119 HN THR 119 -6.412 -5.874 -5.152 No H/Q in entry = 7 In of MODEL 7 1 HA HIS 120 HA HIS 120 -4.952 -0.677 -4.639 2 HB2 HIS 120 HB2 HIS 120 -6.443 -1.707 -2.236 3 HD1 HIS 120 HD1 HIS 120 -6.676 0.900 -5.019 4 HD2 HIS 120 HD2 HIS 120 -9.060 -1.730 -2.851 5 HE1 HIS 120 HE1 HIS 120 -8.989 1.118 -5.992 6 HE2 HIS 120 HE2 HIS 120 -10.441 -0.421 -4.614 7 H HIS 120 HN HIS 120 -6.204 -3.186 -4.107 8 HB3 HIS 120 HB1 HIS 120 -5.849 -0.057 -2.387 No H/Q in entry = 8 In of MODEL 7 1 HA ALA 121 HA ALA 121 -2.132 -2.223 -1.039 2 HB3 ALA 121 HB1 ALA 121 -1.482 -4.453 -0.482 3 HB2 ALA 121 HB2 ALA 121 -2.338 -5.109 -1.876 4 HB1 ALA 121 HB3 ALA 121 -3.244 -4.407 -0.536 5 H ALA 121 HN ALA 121 -4.285 -3.364 -2.431 No H/Q in entry = 5 In of MODEL 7 1 HA MET 122 HA MET 122 0.532 -3.792 -4.630 2 HB2 MET 122 HB2 MET 122 -1.912 -4.403 -6.248 3 HG2 MET 122 HG2 MET 122 -0.606 -6.065 -4.720 4 HE1 MET 122 HE1 MET 122 1.924 -5.360 -4.329 5 HE3 MET 122 HE2 MET 122 1.975 -4.273 -5.720 6 HE2 MET 122 HE3 MET 122 3.200 -5.526 -5.535 7 H MET 122 HN MET 122 -2.256 -3.931 -4.083 8 HB3 MET 122 HB1 MET 122 -0.355 -4.226 -7.041 9 HG3 MET 122 HG1 MET 122 -1.243 -6.560 -6.287 No H/Q in entry = 9 In of MODEL 7 1 HA GLN 123 HA GLN 123 -0.827 -0.076 -7.179 2 HB2 GLN 123 HB2 GLN 123 -3.122 -0.013 -7.536 3 HG2 GLN 123 HG2 GLN 123 -2.780 2.279 -5.626 4 HE21 GLN 123 HE21 GLN 123 -4.345 2.317 -8.718 5 HE22 GLN 123 HE22 GLN 123 -5.953 2.568 -8.133 6 H GLN 123 HN GLN 123 -2.231 -1.794 -5.427 7 HB3 GLN 123 HB1 GLN 123 -3.489 -0.079 -5.822 8 HG3 GLN 123 HG1 GLN 123 -2.556 2.318 -7.376 No H/Q in entry = 8 In of MODEL 7 1 HA LEU 124 HA LEU 124 -0.504 2.756 -3.509 2 HB2 LEU 124 HB2 LEU 124 -0.919 0.649 -1.379 3 HG LEU 124 HG LEU 124 -2.994 1.555 -2.508 4 HD13 LEU 124 HD11 LEU 124 -3.090 0.558 -0.307 5 HD12 LEU 124 HD12 LEU 124 -4.167 1.953 -0.385 6 HD11 LEU 124 HD13 LEU 124 -2.611 2.087 0.434 7 HD22 LEU 124 HD21 LEU 124 -2.243 3.827 -2.883 8 HD21 LEU 124 HD22 LEU 124 -2.101 4.091 -1.145 9 HD23 LEU 124 HD23 LEU 124 -3.688 3.826 -1.869 10 H LEU 124 HN LEU 124 -1.597 0.189 -3.725 11 HB3 LEU 124 HB1 LEU 124 -0.475 2.312 -1.033 No H/Q in entry = 11 In of MODEL 7 1 HA LEU 125 HA LEU 125 3.478 0.366 -2.234 2 HB2 LEU 125 HB2 LEU 125 2.436 -1.998 -3.760 3 HG LEU 125 HG LEU 125 2.311 -2.000 -1.247 4 HD11 LEU 125 HD11 LEU 125 2.248 -4.028 -2.616 5 HD13 LEU 125 HD12 LEU 125 3.105 -4.309 -1.101 6 HD12 LEU 125 HD13 LEU 125 4.010 -4.097 -2.597 7 HD23 LEU 125 HD21 LEU 125 4.410 -2.492 -0.057 8 HD22 LEU 125 HD22 LEU 125 4.429 -0.882 -0.778 9 HD21 LEU 125 HD23 LEU 125 5.311 -2.203 -1.547 10 H LEU 125 HN LEU 125 0.932 -0.431 -3.249 11 HB3 LEU 125 HB1 LEU 125 4.164 -1.773 -3.612 No H/Q in entry = 11 In of MODEL 7 1 HA THR 126 HA THR 126 4.462 0.529 -6.795 2 HB THR 126 HB THR 126 1.596 0.853 -7.699 3 HG1 THR 126 HG1 THR 126 1.869 -1.265 -7.491 4 HG23 THR 126 HG21 THR 126 3.024 2.215 -9.122 5 HG22 THR 126 HG22 THR 126 2.463 0.790 -9.998 6 HG21 THR 126 HG23 THR 126 4.112 0.848 -9.370 7 H THR 126 HN THR 126 2.022 0.162 -5.402 No H/Q in entry = 7 In of MODEL 7 1 HA ALA 127 HA ALA 127 2.664 4.975 -7.146 2 HB1 ALA 127 HB1 ALA 127 0.410 4.652 -6.321 3 HB2 ALA 127 HB2 ALA 127 1.114 6.134 -5.674 4 HB3 ALA 127 HB3 ALA 127 0.996 4.698 -4.658 5 H ALA 127 HN ALA 127 1.794 2.652 -5.875 No H/Q in entry = 5 In of MODEL 7 1 HA GLU 128 HA GLU 128 4.568 6.088 -2.875 2 HB2 GLU 128 HB2 GLU 128 3.753 4.217 -1.442 3 HG2 GLU 128 HG2 GLU 128 5.612 4.243 0.155 4 H GLU 128 HN GLU 128 3.196 3.848 -3.790 5 HB3 GLU 128 HB1 GLU 128 5.121 3.262 -1.994 6 HG3 GLU 128 HG1 GLU 128 6.652 4.930 -1.081 No H/Q in entry = 6 In of MODEL 7 1 HA ILE 129 HA ILE 129 8.455 3.800 -4.433 2 HB ILE 129 HB ILE 129 6.857 2.322 -6.524 3 HD11 ILE 129 HD11 ILE 129 6.713 -0.158 -6.026 4 HD13 ILE 129 HD12 ILE 129 7.621 -0.813 -4.662 5 HD12 ILE 129 HD13 ILE 129 8.472 -0.272 -6.110 6 H ILE 129 HN ILE 129 5.719 3.249 -4.549 No H/Q in entry = 6 In of MODEL 7 1 HA GLU 130 HA GLU 130 7.526 6.192 -8.549 2 HB2 GLU 130 HB2 GLU 130 4.765 6.869 -7.533 3 HG2 GLU 130 HG2 GLU 130 5.666 5.326 -9.951 4 H GLU 130 HN GLU 130 5.948 4.881 -6.656 5 HB3 GLU 130 HB1 GLU 130 5.500 7.592 -8.953 6 HG3 GLU 130 HG1 GLU 130 4.779 4.699 -8.558 No H/Q in entry = 6 In of MODEL 7 1 HA LYS 131 HA LYS 131 7.027 10.030 -5.627 2 HB2 LYS 131 HB2 LYS 131 6.689 8.206 -3.257 3 HG2 LYS 131 HG2 LYS 131 5.047 10.077 -2.619 4 HD2 LYS 131 HD2 LYS 131 4.077 8.608 -5.009 5 HE2 LYS 131 HE2 LYS 131 2.545 9.835 -3.513 6 HZ3 LYS 131 HZ1 LYS 131 3.355 7.831 -1.465 7 HZ2 LYS 131 HZ2 LYS 131 2.123 8.986 -1.306 8 HZ1 LYS 131 HZ3 LYS 131 3.743 9.482 -1.421 9 H LYS 131 HN LYS 131 6.231 7.350 -5.433 10 HB3 LYS 131 HB1 LYS 131 7.285 9.842 -3.047 11 HG3 LYS 131 HG1 LYS 131 5.131 10.516 -4.325 12 HD3 LYS 131 HD1 LYS 131 4.645 7.673 -3.626 13 HE3 LYS 131 HE1 LYS 131 2.212 8.105 -3.568 No H/Q in entry = 13 In of MODEL 7 1 HA ILE 132 HA ILE 132 11.053 8.717 -3.526 2 HB ILE 132 HB ILE 132 11.061 5.796 -4.217 3 HD12 ILE 132 HD11 ILE 132 11.271 5.140 -1.093 4 HD11 ILE 132 HD12 ILE 132 10.374 4.190 -2.280 5 HD13 ILE 132 HD13 ILE 132 9.538 4.882 -0.888 6 H ILE 132 HN ILE 132 8.776 7.239 -4.320 No H/Q in entry = 6 In of MODEL 7 1 HA GLN 133 HA GLN 133 12.815 7.029 -7.621 2 HB2 GLN 133 HB2 GLN 133 10.092 6.582 -8.848 3 HG2 GLN 133 HG2 GLN 133 10.883 4.816 -7.291 4 HE21 GLN 133 HE21 GLN 133 12.001 2.529 -8.686 5 HE22 GLN 133 HE22 GLN 133 13.725 2.687 -8.573 6 H GLN 133 HN GLN 133 10.254 6.870 -6.426 7 HB3 GLN 133 HB1 GLN 133 11.607 6.426 -9.726 8 HG3 GLN 133 HG1 GLN 133 10.647 4.280 -8.951 No H/Q in entry = 8 In of MODEL 7 1 HA LYS 134 HA LYS 134 10.976 10.645 -9.980 2 HB2 LYS 134 HB2 LYS 134 9.059 12.069 -9.687 3 HG2 LYS 134 HG2 LYS 134 8.518 10.633 -7.100 4 HD2 LYS 134 HD2 LYS 134 6.606 12.162 -6.923 5 HE2 LYS 134 HE2 LYS 134 6.555 10.583 -9.493 6 HZ2 LYS 134 HZ1 LYS 134 4.633 12.015 -9.216 7 HZ1 LYS 134 HZ2 LYS 134 4.360 11.395 -7.662 8 HZ3 LYS 134 HZ3 LYS 134 4.192 10.386 -9.016 9 H LYS 134 HN LYS 134 9.954 9.089 -7.808 10 HB3 LYS 134 HB1 LYS 134 8.546 10.396 -9.536 11 HG3 LYS 134 HG1 LYS 134 9.009 12.319 -7.266 12 HD3 LYS 134 HD1 LYS 134 6.961 12.783 -8.536 13 HE3 LYS 134 HE1 LYS 134 6.267 9.919 -7.885 No H/Q in entry = 13 In of MODEL 7 1 HA3 GLY 135 HA2 GLY 135 12.567 12.162 -5.213 2 H GLY 135 HN GLY 135 11.118 10.894 -6.494 3 HA2 GLY 135 HA1 GLY 135 13.234 12.825 -6.701 No H/Q in entry = 3 In of MODEL 8 1 H1 GLY 95 HT1 GLY 95 -11.167 9.236 -4.854 2 H2 GLY 95 HT3 GLY 95 -11.893 7.816 -5.427 3 H3 GLY 95 HT2 GLY 95 -11.076 7.811 -3.940 4 HA3 GLY 95 HA1 GLY 95 -8.980 8.158 -5.000 5 HA2 GLY 95 HA2 GLY 95 -9.772 6.762 -5.718 No H/Q in entry = 5 In of MODEL 8 1 HA ALA 96 HA ALA 96 -8.778 9.270 -9.227 2 HB1 ALA 96 HB1 ALA 96 -8.352 6.436 -10.159 3 HB3 ALA 96 HB2 ALA 96 -7.107 7.511 -9.524 4 HB2 ALA 96 HB3 ALA 96 -7.914 7.898 -11.044 5 H ALA 96 HN ALA 96 -9.009 6.783 -7.770 No H/Q in entry = 5 In of MODEL 8 1 HA MET 97 HA MET 97 -12.792 7.919 -10.812 2 HB2 MET 97 HB2 MET 97 -11.593 6.368 -12.329 3 HG2 MET 97 HG2 MET 97 -13.598 4.975 -13.075 4 HE2 MET 97 HE1 MET 97 -14.534 9.504 -13.036 5 HE1 MET 97 HE2 MET 97 -13.536 8.753 -11.792 6 HE3 MET 97 HE3 MET 97 -15.242 8.330 -11.928 7 H MET 97 HN MET 97 -10.829 6.407 -9.254 8 HB3 MET 97 HB1 MET 97 -12.099 5.027 -11.316 9 HG3 MET 97 HG1 MET 97 -14.488 5.811 -11.806 No H/Q in entry = 9 In of MODEL 8 1 HA GLU 98 HA GLU 98 -14.868 4.863 -7.974 2 HB2 GLU 98 HB2 GLU 98 -13.011 3.109 -8.040 3 HG2 GLU 98 HG2 GLU 98 -13.742 1.929 -5.954 4 H GLU 98 HN GLU 98 -12.080 5.370 -8.593 5 HB3 GLU 98 HB1 GLU 98 -12.446 3.796 -6.527 6 HG3 GLU 98 HG1 GLU 98 -14.740 3.339 -5.604 No H/Q in entry = 6 In of MODEL 8 1 HA PRO 99 HA PRO 99 -14.922 7.996 -4.787 2 HB2 PRO 99 HB2 PRO 99 -17.267 7.226 -3.640 3 HG2 PRO 99 HG2 PRO 99 -17.594 5.213 -4.734 4 HD2 PRO 99 HD2 PRO 99 -16.399 4.656 -6.618 5 HB3 PRO 99 HB1 PRO 99 -17.185 8.146 -5.146 6 HG3 PRO 99 HG1 PRO 99 -18.403 6.309 -5.869 7 HD3 PRO 99 HD1 PRO 99 -16.661 6.241 -7.374 No H/Q in entry = 7 In of MODEL 8 1 HA GLU 100 HA GLU 100 -13.002 6.138 -1.480 2 HB2 GLU 100 HB2 GLU 100 -14.340 8.495 -0.146 3 HG2 GLU 100 HG2 GLU 100 -12.833 9.176 -1.947 4 H GLU 100 HN GLU 100 -14.580 8.136 -2.622 5 HB3 GLU 100 HB1 GLU 100 -13.053 7.531 0.564 6 HG3 GLU 100 HG1 GLU 100 -12.234 9.640 -0.356 No H/Q in entry = 6 In of MODEL 8 1 HA ASN 101 HA ASN 101 -16.921 5.323 1.142 2 HB2 ASN 101 HB2 ASN 101 -18.502 6.780 -0.362 3 HD21 ASN 101 HD21 ASN 101 -18.455 3.821 1.489 4 HD22 ASN 101 HD22 ASN 101 -19.836 4.187 2.464 5 H ASN 101 HN ASN 101 -16.427 6.737 -1.208 6 HB3 ASN 101 HB1 ASN 101 -18.919 5.226 -1.079 No H/Q in entry = 6 In of MODEL 8 1 HA LYS 102 HA LYS 102 -17.088 1.404 -1.302 2 HB2 LYS 102 HB2 LYS 102 -16.491 2.655 -3.975 3 HG2 LYS 102 HG2 LYS 102 -18.581 1.541 -4.657 4 HD2 LYS 102 HD2 LYS 102 -18.943 3.338 -2.264 5 HE2 LYS 102 HE2 LYS 102 -20.985 4.039 -3.413 6 HZ3 LYS 102 HZ1 LYS 102 -20.978 1.088 -3.100 7 HZ2 LYS 102 HZ2 LYS 102 -22.304 2.138 -2.956 8 HZ1 LYS 102 HZ3 LYS 102 -21.060 2.181 -1.802 9 H LYS 102 HN LYS 102 -16.632 4.116 -2.192 10 HB3 LYS 102 HB1 LYS 102 -16.465 0.914 -3.750 11 HG3 LYS 102 HG1 LYS 102 -18.819 1.025 -2.990 12 HD3 LYS 102 HD1 LYS 102 -18.614 3.891 -3.908 13 HE3 LYS 102 HE1 LYS 102 -20.688 2.842 -4.670 No H/Q in entry = 13 In of MODEL 8 1 HA TYR 103 HA TYR 103 -12.417 1.658 -2.619 2 HB2 TYR 103 HB2 TYR 103 -12.420 4.027 -3.255 3 HD1 TYR 103 HD1 TYR 103 -10.408 2.209 -3.810 4 HD2 TYR 103 HD2 TYR 103 -10.358 5.306 -0.904 5 HE1 TYR 103 HE1 TYR 103 -7.956 2.309 -3.966 6 HE2 TYR 103 HE2 TYR 103 -7.912 5.413 -1.030 7 HH TYR 103 HH TYR 103 -6.038 4.422 -1.870 8 H TYR 103 HN TYR 103 -14.479 3.484 -2.220 9 HB3 TYR 103 HB1 TYR 103 -12.359 4.486 -1.564 No H/Q in entry = 9 In of MODEL 8 1 HA LEU 104 HA LEU 104 -11.496 2.466 2.016 2 HB2 LEU 104 HB2 LEU 104 -13.161 4.118 2.616 3 HG LEU 104 HG LEU 104 -13.240 1.870 4.639 4 HD11 LEU 104 HD11 LEU 104 -10.965 2.545 4.096 5 HD13 LEU 104 HD12 LEU 104 -11.409 3.070 5.720 6 HD12 LEU 104 HD13 LEU 104 -11.382 4.233 4.393 7 HD23 LEU 104 HD21 LEU 104 -13.747 3.650 6.249 8 HD22 LEU 104 HD22 LEU 104 -15.002 3.512 5.013 9 HD21 LEU 104 HD23 LEU 104 -13.817 4.818 4.929 10 H LEU 104 HN LEU 104 -13.706 3.042 0.374 11 HB3 LEU 104 HB1 LEU 104 -14.400 2.881 2.710 No H/Q in entry = 11 In of MODEL 8 1 HA PRO 105 HA PRO 105 -13.922 -1.474 3.507 2 HB2 PRO 105 HB2 PRO 105 -15.677 -2.544 1.686 3 HG2 PRO 105 HG2 PRO 105 -15.529 -0.800 0.124 4 HD2 PRO 105 HD2 PRO 105 -14.894 1.362 0.736 5 HB3 PRO 105 HB1 PRO 105 -16.170 -1.454 2.988 6 HG3 PRO 105 HG1 PRO 105 -16.927 -0.290 1.086 7 HD3 PRO 105 HD1 PRO 105 -15.656 1.230 2.337 No H/Q in entry = 7 In of MODEL 8 1 HA GLU 106 HA GLU 106 -12.292 -3.590 -0.503 2 HB2 GLU 106 HB2 GLU 106 -11.395 -0.932 -1.615 3 HG2 GLU 106 HG2 GLU 106 -13.677 -2.726 -2.283 4 H GLU 106 HN GLU 106 -13.239 -1.008 0.080 5 HB3 GLU 106 HB1 GLU 106 -11.060 -2.504 -2.324 6 HG3 GLU 106 HG1 GLU 106 -13.599 -0.967 -2.211 No H/Q in entry = 6 In of MODEL 8 1 HA LEU 107 HA LEU 107 -8.068 -1.685 0.782 2 HB2 LEU 107 HB2 LEU 107 -9.406 0.398 2.496 3 HG LEU 107 HG LEU 107 -9.232 0.925 0.040 4 HD12 LEU 107 HD11 LEU 107 -8.334 3.160 0.440 5 HD11 LEU 107 HD12 LEU 107 -7.645 2.611 1.970 6 HD13 LEU 107 HD13 LEU 107 -9.397 2.647 1.751 7 HD21 LEU 107 HD21 LEU 107 -6.289 0.843 0.698 8 HD23 LEU 107 HD22 LEU 107 -6.979 1.532 -0.773 9 HD22 LEU 107 HD23 LEU 107 -7.142 -0.194 -0.446 10 H LEU 107 HN LEU 107 -10.719 -0.705 0.776 11 HB3 LEU 107 HB1 LEU 107 -7.679 0.093 2.480 No H/Q in entry = 11 In of MODEL 8 1 HA MET 108 HA MET 108 -9.004 -2.770 5.345 2 HB2 MET 108 HB2 MET 108 -11.010 -3.039 6.569 3 HG2 MET 108 HG2 MET 108 -12.546 -2.397 4.070 4 HE1 MET 108 HE1 MET 108 -12.518 -0.410 6.565 5 HE3 MET 108 HE2 MET 108 -14.243 -0.120 6.798 6 HE2 MET 108 HE3 MET 108 -13.568 -0.166 5.168 7 H MET 108 HN MET 108 -10.584 -1.619 3.276 8 HB3 MET 108 HB1 MET 108 -11.037 -1.484 5.762 9 HG3 MET 108 HG1 MET 108 -12.518 -3.955 4.892 No H/Q in entry = 9 In of MODEL 8 1 HA ALA 109 HA ALA 109 -10.895 -6.840 3.877 2 HB1 ALA 109 HB1 ALA 109 -12.624 -6.166 2.263 3 HB3 ALA 109 HB2 ALA 109 -11.725 -7.571 1.692 4 HB2 ALA 109 HB3 ALA 109 -11.387 -5.976 1.021 5 H ALA 109 HN ALA 109 -11.023 -4.205 2.812 No H/Q in entry = 5 In of MODEL 8 1 HA GLU 110 HA GLU 110 -7.234 -7.311 0.845 2 HB2 GLU 110 HB2 GLU 110 -6.887 -4.317 0.559 3 HG2 GLU 110 HG2 GLU 110 -7.393 -6.432 -1.523 4 H GLU 110 HN GLU 110 -9.012 -5.152 1.391 5 HB3 GLU 110 HB1 GLU 110 -5.711 -5.493 -0.010 6 HG3 GLU 110 HG1 GLU 110 -8.557 -5.231 -0.964 No H/Q in entry = 6 In of MODEL 8 1 HA LYS 111 HA LYS 111 -4.670 -4.992 4.168 2 HB2 LYS 111 HB2 LYS 111 -5.627 -2.968 4.773 3 HG2 LYS 111 HG2 LYS 111 -6.337 -4.513 7.243 4 HD2 LYS 111 HD2 LYS 111 -4.977 -1.847 6.955 5 HE2 LYS 111 HE2 LYS 111 -6.579 -2.892 9.260 6 HZ2 LYS 111 HZ1 LYS 111 -6.041 -0.553 9.266 7 HZ1 LYS 111 HZ2 LYS 111 -4.391 -0.897 9.057 8 HZ3 LYS 111 HZ3 LYS 111 -5.177 -1.349 10.491 9 H LYS 111 HN LYS 111 -7.222 -4.607 3.079 10 HB3 LYS 111 HB1 LYS 111 -7.165 -3.703 5.195 11 HG3 LYS 111 HG1 LYS 111 -4.664 -4.195 6.779 12 HD3 LYS 111 HD1 LYS 111 -6.729 -2.030 7.101 13 HE3 LYS 111 HE1 LYS 111 -4.863 -3.275 9.092 No H/Q in entry = 13 In of MODEL 8 1 HA ASP 112 HA ASP 112 -6.722 -7.639 7.507 2 HB2 ASP 112 HB2 ASP 112 -9.106 -7.065 7.326 3 H ASP 112 HN ASP 112 -7.796 -6.278 5.267 4 HB3 ASP 112 HB1 ASP 112 -9.284 -8.198 5.991 No H/Q in entry = 4 In of MODEL 8 1 HA SER 113 HA SER 113 -6.529 -11.315 4.701 2 HB2 SER 113 HB2 SER 113 -7.032 -9.854 2.103 3 HG SER 113 HG SER 113 -8.924 -9.771 3.110 4 H SER 113 HN SER 113 -6.954 -8.482 4.157 5 HB3 SER 113 HB1 SER 113 -6.966 -11.603 2.302 No H/Q in entry = 5 In of MODEL 8 1 HA LEU 114 HA LEU 114 -2.727 -9.824 2.337 2 HB2 LEU 114 HB2 LEU 114 -3.345 -7.344 2.573 3 HG LEU 114 HG LEU 114 -0.482 -8.249 2.347 4 HD12 LEU 114 HD11 LEU 114 -0.798 -7.487 0.014 5 HD11 LEU 114 HD12 LEU 114 -2.473 -7.094 0.395 6 HD13 LEU 114 HD13 LEU 114 -1.924 -8.768 0.474 7 HD21 LEU 114 HD21 LEU 114 -0.529 -5.998 3.377 8 HD23 LEU 114 HD22 LEU 114 -1.459 -5.428 1.992 9 HD22 LEU 114 HD23 LEU 114 0.185 -6.021 1.765 10 H LEU 114 HN LEU 114 -4.637 -8.607 4.112 11 HB3 LEU 114 HB1 LEU 114 -2.288 -7.342 3.972 No H/Q in entry = 11 In of MODEL 8 1 HA ASP 115 HA ASP 115 -0.361 -11.776 5.376 2 HB2 ASP 115 HB2 ASP 115 0.439 -12.715 3.183 3 H ASP 115 HN ASP 115 -0.684 -10.545 2.824 4 HB3 ASP 115 HB1 ASP 115 1.705 -11.490 3.185 No H/Q in entry = 4 In of MODEL 8 1 HA PRO 116 HA PRO 116 1.474 -8.409 7.538 2 HB2 PRO 116 HB2 PRO 116 2.647 -9.820 9.563 3 HG2 PRO 116 HG2 PRO 116 2.428 -11.948 8.641 4 HD2 PRO 116 HD2 PRO 116 0.887 -12.417 6.966 5 HB3 PRO 116 HB1 PRO 116 0.910 -9.501 9.473 6 HG3 PRO 116 HG1 PRO 116 0.923 -11.833 9.577 7 HD3 PRO 116 HD1 PRO 116 -0.359 -11.379 7.692 No H/Q in entry = 7 In of MODEL 8 1 HA SER 117 HA SER 117 5.933 -10.098 6.968 2 HB2 SER 117 HB2 SER 117 5.537 -12.308 5.946 3 HG SER 117 HG SER 117 7.440 -10.532 5.015 4 H SER 117 HN SER 117 3.376 -10.993 6.217 5 HB3 SER 117 HB1 SER 117 5.144 -11.526 4.416 No H/Q in entry = 5 In of MODEL 8 1 HA PHE 118 HA PHE 118 5.662 -7.151 3.432 2 HB2 PHE 118 HB2 PHE 118 2.670 -7.291 2.991 3 HD1 PHE 118 HD1 PHE 118 5.094 -7.519 0.328 4 HD2 PHE 118 HD2 PHE 118 2.688 -9.754 3.030 5 HE1 PHE 118 HE1 PHE 118 5.391 -9.520 -1.062 6 HE2 PHE 118 HE2 PHE 118 2.990 -11.760 1.653 7 HZ PHE 118 HZ PHE 118 4.347 -11.649 -0.404 8 H PHE 118 HN PHE 118 3.653 -8.810 4.756 9 HB3 PHE 118 HB1 PHE 118 3.824 -6.415 1.990 No H/Q in entry = 9 In of MODEL 8 1 HA THR 119 HA THR 119 4.522 -4.749 7.066 2 HB THR 119 HB THR 119 7.285 -3.861 6.244 3 HG1 THR 119 HG1 THR 119 6.306 -5.751 8.131 4 HG22 THR 119 HG21 THR 119 7.375 -2.805 8.460 5 HG21 THR 119 HG22 THR 119 5.691 -3.255 8.736 6 HG23 THR 119 HG23 THR 119 6.097 -2.109 7.457 7 H THR 119 HN THR 119 6.256 -5.940 5.243 No H/Q in entry = 7 In of MODEL 8 1 HA HIS 120 HA HIS 120 4.972 -0.745 4.716 2 HB2 HIS 120 HB2 HIS 120 6.344 -1.850 2.272 3 HD1 HIS 120 HD1 HIS 120 6.823 0.356 5.340 4 HD2 HIS 120 HD2 HIS 120 9.043 -1.827 2.581 5 HE1 HIS 120 HE1 HIS 120 9.195 0.423 6.176 6 HE2 HIS 120 HE2 HIS 120 10.534 -0.898 4.491 7 H HIS 120 HN HIS 120 6.109 -3.313 4.207 8 HB3 HIS 120 HB1 HIS 120 5.892 -0.162 2.486 No H/Q in entry = 8 In of MODEL 8 1 HA ALA 121 HA ALA 121 2.061 -2.208 1.146 2 HB1 ALA 121 HB1 ALA 121 1.345 -4.415 0.596 3 HB3 ALA 121 HB2 ALA 121 2.180 -5.092 1.992 4 HB2 ALA 121 HB3 ALA 121 3.108 -4.427 0.648 5 H ALA 121 HN ALA 121 4.188 -3.403 2.517 No H/Q in entry = 5 In of MODEL 8 1 HA MET 122 HA MET 122 -0.615 -3.713 4.762 2 HB2 MET 122 HB2 MET 122 1.843 -4.364 6.337 3 HG2 MET 122 HG2 MET 122 0.429 -5.989 4.864 4 HE1 MET 122 HE1 MET 122 -2.142 -5.291 4.583 5 HE3 MET 122 HE2 MET 122 -2.027 -4.152 5.926 6 HE2 MET 122 HE3 MET 122 -3.317 -5.354 5.897 7 H MET 122 HN MET 122 2.167 -3.899 4.190 8 HB3 MET 122 HB1 MET 122 0.315 -4.134 7.175 9 HG3 MET 122 HG1 MET 122 1.131 -6.501 6.396 No H/Q in entry = 9 In of MODEL 8 1 HA GLN 123 HA GLN 123 0.844 0.067 7.209 2 HB2 GLN 123 HB2 GLN 123 3.209 0.084 7.379 3 HG2 GLN 123 HG2 GLN 123 2.280 2.494 5.908 4 HE21 GLN 123 HE21 GLN 123 3.730 2.711 4.229 5 HE22 GLN 123 HE22 GLN 123 5.400 3.083 4.473 6 H GLN 123 HN GLN 123 2.175 -1.716 5.460 7 HB3 GLN 123 HB1 GLN 123 3.419 0.143 5.637 8 HG3 GLN 123 HG1 GLN 123 2.874 2.340 7.558 No H/Q in entry = 8 In of MODEL 8 1 HA LEU 124 HA LEU 124 0.429 2.810 3.514 2 HB2 LEU 124 HB2 LEU 124 0.810 0.680 1.402 3 HG LEU 124 HG LEU 124 2.872 1.660 2.595 4 HD12 LEU 124 HD11 LEU 124 2.602 1.923 -0.402 5 HD11 LEU 124 HD12 LEU 124 2.980 0.444 0.481 6 HD13 LEU 124 HD13 LEU 124 4.116 1.791 0.495 7 HD22 LEU 124 HD21 LEU 124 3.601 3.844 1.776 8 HD21 LEU 124 HD22 LEU 124 2.093 3.970 2.682 9 HD23 LEU 124 HD23 LEU 124 2.069 4.037 0.919 10 H LEU 124 HN LEU 124 1.491 0.230 3.729 11 HB3 LEU 124 HB1 LEU 124 0.389 2.347 1.046 No H/Q in entry = 11 In of MODEL 8 1 HA LEU 125 HA LEU 125 -3.582 0.421 2.302 2 HB2 LEU 125 HB2 LEU 125 -2.535 -1.900 3.884 3 HG LEU 125 HG LEU 125 -2.414 -1.973 1.376 4 HD11 LEU 125 HD11 LEU 125 -2.383 -3.972 2.800 5 HD13 LEU 125 HD12 LEU 125 -3.200 -4.271 1.268 6 HD12 LEU 125 HD13 LEU 125 -4.144 -4.036 2.736 7 HD23 LEU 125 HD21 LEU 125 -4.496 -2.436 0.176 8 HD22 LEU 125 HD22 LEU 125 -4.529 -0.832 0.907 9 HD21 LEU 125 HD23 LEU 125 -5.418 -2.160 1.655 10 H LEU 125 HN LEU 125 -1.031 -0.365 3.280 11 HB3 LEU 125 HB1 LEU 125 -4.262 -1.680 3.737 No H/Q in entry = 11 In of MODEL 8 1 HA THR 126 HA THR 126 -4.549 0.823 6.835 2 HB THR 126 HB THR 126 -1.667 1.012 7.728 3 HG1 THR 126 HG1 THR 126 -2.134 -1.083 7.736 4 HG21 THR 126 HG21 THR 126 -4.143 1.395 9.414 5 HG23 THR 126 HG22 THR 126 -2.938 2.626 9.035 6 HG22 THR 126 HG23 THR 126 -2.500 1.237 10.030 7 H THR 126 HN THR 126 -2.099 0.354 5.462 No H/Q in entry = 7 In of MODEL 8 1 HA ALA 127 HA ALA 127 -2.601 5.233 6.927 2 HB3 ALA 127 HB1 ALA 127 -1.084 4.771 4.373 3 HB1 ALA 127 HB2 ALA 127 -0.405 4.809 5.999 4 HB2 ALA 127 HB3 ALA 127 -1.114 6.269 5.304 5 H ALA 127 HN ALA 127 -1.837 2.821 5.780 No H/Q in entry = 5 In of MODEL 8 1 HA GLU 128 HA GLU 128 -4.762 6.068 2.712 2 HB2 GLU 128 HB2 GLU 128 -3.948 4.156 1.345 3 HG2 GLU 128 HG2 GLU 128 -5.965 3.814 -0.066 4 H GLU 128 HN GLU 128 -3.318 3.896 3.707 5 HB3 GLU 128 HB1 GLU 128 -5.185 3.141 2.066 6 HG3 GLU 128 HG1 GLU 128 -6.897 4.689 1.145 No H/Q in entry = 6 In of MODEL 8 1 HA ILE 129 HA ILE 129 -8.551 3.741 4.483 2 HB ILE 129 HB ILE 129 -6.874 2.295 6.534 3 HD13 ILE 129 HD11 ILE 129 -7.707 -0.871 4.749 4 HD12 ILE 129 HD12 ILE 129 -8.471 -0.304 6.235 5 HD11 ILE 129 HD13 ILE 129 -6.720 -0.194 6.046 6 H ILE 129 HN ILE 129 -5.807 3.215 4.511 No H/Q in entry = 6 In of MODEL 8 1 HA GLU 130 HA GLU 130 -7.543 6.242 8.499 2 HB2 GLU 130 HB2 GLU 130 -4.749 6.717 7.474 3 HG2 GLU 130 HG2 GLU 130 -5.833 5.515 10.002 4 H GLU 130 HN GLU 130 -6.000 4.818 6.657 5 HB3 GLU 130 HB1 GLU 130 -5.478 7.681 8.751 6 HG3 GLU 130 HG1 GLU 130 -4.789 4.762 8.796 No H/Q in entry = 6 In of MODEL 8 1 HA LYS 131 HA LYS 131 -6.775 9.917 5.463 2 HB2 LYS 131 HB2 LYS 131 -5.417 8.808 3.684 3 HG2 LYS 131 HG2 LYS 131 -7.663 10.579 2.749 4 HD2 LYS 131 HD2 LYS 131 -5.766 11.071 0.957 5 HE2 LYS 131 HE2 LYS 131 -8.114 10.424 0.480 6 HZ1 LYS 131 HZ1 LYS 131 -8.162 8.306 1.654 7 HZ3 LYS 131 HZ2 LYS 131 -7.071 7.644 0.542 8 HZ2 LYS 131 HZ3 LYS 131 -8.627 8.124 0.036 9 H LYS 131 HN LYS 131 -6.251 7.177 5.324 10 HB3 LYS 131 HB1 LYS 131 -6.907 8.192 2.980 11 HG3 LYS 131 HG1 LYS 131 -6.033 11.061 3.216 12 HD3 LYS 131 HD1 LYS 131 -5.395 9.376 1.262 13 HE3 LYS 131 HE1 LYS 131 -6.948 9.734 -0.646 No H/Q in entry = 13 In of MODEL 8 1 HA ILE 132 HA ILE 132 -10.917 8.915 3.361 2 HB ILE 132 HB ILE 132 -11.148 6.032 4.195 3 HD11 ILE 132 HD11 ILE 132 -10.602 4.291 2.327 4 HD13 ILE 132 HD12 ILE 132 -9.758 4.859 0.886 5 HD12 ILE 132 HD13 ILE 132 -11.465 5.241 1.117 6 H ILE 132 HN ILE 132 -8.759 7.291 4.176 No H/Q in entry = 6 In of MODEL 8 1 HA GLN 133 HA GLN 133 -12.856 7.605 7.436 2 HB2 GLN 133 HB2 GLN 133 -10.345 6.404 8.578 3 HG2 GLN 133 HG2 GLN 133 -13.010 5.214 7.844 4 HE21 GLN 133 HE21 GLN 133 -9.929 4.812 9.410 5 HE22 GLN 133 HE22 GLN 133 -10.229 3.224 10.026 6 H GLN 133 HN GLN 133 -10.277 7.080 6.320 7 HB3 GLN 133 HB1 GLN 133 -11.827 6.577 9.502 8 HG3 GLN 133 HG1 GLN 133 -11.504 5.014 6.955 No H/Q in entry = 8 In of MODEL 8 1 HA LYS 134 HA LYS 134 -10.449 10.894 9.849 2 HB2 LYS 134 HB2 LYS 134 -8.589 11.522 7.552 3 HG2 LYS 134 HG2 LYS 134 -7.938 10.494 10.292 4 HD2 LYS 134 HD2 LYS 134 -6.290 11.435 7.963 5 HE2 LYS 134 HE2 LYS 134 -5.444 9.232 8.584 6 HZ1 LYS 134 HZ1 LYS 134 -6.248 9.197 10.896 7 HZ3 LYS 134 HZ2 LYS 134 -5.055 10.330 11.314 8 HZ2 LYS 134 HZ3 LYS 134 -4.607 8.786 10.763 9 H LYS 134 HN LYS 134 -9.816 9.313 7.539 10 HB3 LYS 134 HB1 LYS 134 -8.697 12.440 9.043 11 HG3 LYS 134 HG1 LYS 134 -7.832 9.580 8.783 12 HD3 LYS 134 HD1 LYS 134 -6.202 11.950 9.648 13 HE3 LYS 134 HE1 LYS 134 -4.318 10.504 9.049 No H/Q in entry = 13 In of MODEL 8 1 HA3 GLY 135 HA2 GLY 135 -11.747 13.843 6.452 2 H GLY 135 HN GLY 135 -11.243 11.029 6.486 3 HA2 GLY 135 HA1 GLY 135 -12.105 12.702 5.166 No H/Q in entry = 3 In of MODEL 8 1 H1 GLY 95 HT1 GLY 95 11.317 8.988 5.075 2 H2 GLY 95 HT3 GLY 95 12.021 7.543 5.626 3 H3 GLY 95 HT2 GLY 95 11.193 7.572 4.146 4 HA2 GLY 95 HA2 GLY 95 9.887 6.528 5.921 5 HA3 GLY 95 HA1 GLY 95 9.113 7.944 5.223 No H/Q in entry = 5 In of MODEL 8 1 HA ALA 96 HA ALA 96 8.941 9.025 9.455 2 HB1 ALA 96 HB1 ALA 96 8.465 6.189 10.364 3 HB3 ALA 96 HB2 ALA 96 7.239 7.290 9.737 4 HB2 ALA 96 HB3 ALA 96 8.054 7.651 11.259 5 H ALA 96 HN ALA 96 9.095 6.560 7.962 No H/Q in entry = 5 In of MODEL 8 1 HA MET 97 HA MET 97 12.936 7.585 11.027 2 HB2 MET 97 HB2 MET 97 11.710 6.047 12.536 3 HG2 MET 97 HG2 MET 97 13.689 4.606 13.262 4 HE2 MET 97 HE1 MET 97 14.696 9.120 13.254 5 HE1 MET 97 HE2 MET 97 13.678 8.386 12.014 6 HE3 MET 97 HE3 MET 97 15.382 7.947 12.129 7 H MET 97 HN MET 97 10.948 6.125 9.450 8 HB3 MET 97 HB1 MET 97 12.183 4.704 11.509 9 HG3 MET 97 HG1 MET 97 14.589 5.432 11.997 No H/Q in entry = 9 In of MODEL 8 1 HA GLU 98 HA GLU 98 14.942 4.514 8.163 2 HB2 GLU 98 HB2 GLU 98 13.042 2.796 8.215 3 HG2 GLU 98 HG2 GLU 98 13.751 1.619 6.124 4 H GLU 98 HN GLU 98 12.165 5.083 8.783 5 HB3 GLU 98 HB1 GLU 98 12.497 3.513 6.706 6 HG3 GLU 98 HG1 GLU 98 14.774 3.010 5.777 No H/Q in entry = 6 In of MODEL 8 1 HA PRO 99 HA PRO 99 15.058 7.671 4.999 2 HB2 PRO 99 HB2 PRO 99 17.389 6.868 3.841 3 HG2 PRO 99 HG2 PRO 99 17.674 4.836 4.919 4 HD2 PRO 99 HD2 PRO 99 16.468 4.287 6.802 5 HB3 PRO 99 HB1 PRO 99 17.327 7.774 5.357 6 HG3 PRO 99 HG1 PRO 99 18.508 5.906 6.063 7 HD3 PRO 99 HD1 PRO 99 16.766 5.859 7.570 No H/Q in entry = 7 In of MODEL 8 1 HA GLU 100 HA GLU 100 13.093 5.877 1.684 2 HB2 GLU 100 HB2 GLU 100 14.471 8.218 0.367 3 HG2 GLU 100 HG2 GLU 100 12.980 8.916 2.176 4 H GLU 100 HN GLU 100 14.717 7.832 2.833 5 HB3 GLU 100 HB1 GLU 100 13.165 7.286 -0.348 6 HG3 GLU 100 HG1 GLU 100 12.385 9.404 0.590 No H/Q in entry = 6 In of MODEL 8 1 HA ASN 101 HA ASN 101 16.989 5.010 -0.956 2 HB2 ASN 101 HB2 ASN 101 18.603 6.431 0.562 3 HD21 ASN 101 HD21 ASN 101 18.508 3.478 -1.317 4 HD22 ASN 101 HD22 ASN 101 19.892 3.835 -2.293 5 H ASN 101 HN ASN 101 16.525 6.420 1.406 6 HB3 ASN 101 HB1 ASN 101 18.992 4.858 1.255 No H/Q in entry = 6 In of MODEL 8 1 HA LYS 102 HA LYS 102 17.092 1.072 1.455 2 HB2 LYS 102 HB2 LYS 102 16.519 2.315 4.134 3 HG2 LYS 102 HG2 LYS 102 18.586 1.156 4.811 4 HD2 LYS 102 HD2 LYS 102 18.978 2.966 2.433 5 HE2 LYS 102 HE2 LYS 102 21.039 3.609 3.580 6 HZ3 LYS 102 HZ1 LYS 102 20.962 0.661 3.238 7 HZ2 LYS 102 HZ2 LYS 102 22.313 1.678 3.101 8 HZ1 LYS 102 HZ3 LYS 102 21.072 1.760 1.950 9 H LYS 102 HN LYS 102 16.687 3.787 2.370 10 HB3 LYS 102 HB1 LYS 102 16.460 0.575 3.901 11 HG3 LYS 102 HG1 LYS 102 18.819 0.646 3.140 12 HD3 LYS 102 HD1 LYS 102 18.667 3.507 4.083 13 HE3 LYS 102 HE1 LYS 102 20.716 2.407 4.826 No H/Q in entry = 13 In of MODEL 8 1 HA TYR 103 HA TYR 103 12.437 1.401 2.786 2 HB2 TYR 103 HB2 TYR 103 12.475 3.763 3.441 3 HD1 TYR 103 HD1 TYR 103 10.424 1.984 3.985 4 HD2 TYR 103 HD2 TYR 103 10.433 5.100 1.096 5 HE1 TYR 103 HE1 TYR 103 7.976 2.132 4.145 6 HE2 TYR 103 HE2 TYR 103 7.991 5.253 1.228 7 HH TYR 103 HH TYR 103 6.102 4.286 2.057 8 H TYR 103 HN TYR 103 14.527 3.196 2.392 9 HB3 TYR 103 HB1 TYR 103 12.424 4.240 1.755 No H/Q in entry = 9 In of MODEL 8 1 HA LEU 104 HA LEU 104 11.515 2.266 -1.846 2 HB2 LEU 104 HB2 LEU 104 13.206 3.890 -2.432 3 HG LEU 104 HG LEU 104 13.250 1.663 -4.476 4 HD11 LEU 104 HD11 LEU 104 10.989 2.365 -3.923 5 HD13 LEU 104 HD12 LEU 104 11.436 2.897 -5.545 6 HD12 LEU 104 HD13 LEU 104 11.427 4.049 -4.207 7 HD23 LEU 104 HD21 LEU 104 13.783 3.451 -6.068 8 HD22 LEU 104 HD22 LEU 104 15.039 3.278 -4.837 9 HD21 LEU 104 HD23 LEU 104 13.878 4.604 -4.736 10 H LEU 104 HN LEU 104 13.737 2.780 -0.198 11 HB3 LEU 104 HB1 LEU 104 14.425 2.635 -2.539 No H/Q in entry = 11 In of MODEL 8 1 HA PRO 105 HA PRO 105 13.867 -1.713 -3.377 2 HB2 PRO 105 HB2 PRO 105 15.601 -2.828 -1.560 3 HG2 PRO 105 HG2 PRO 105 15.482 -1.095 0.013 4 HD2 PRO 105 HD2 PRO 105 14.885 1.083 -0.580 5 HB3 PRO 105 HB1 PRO 105 16.114 -1.738 -2.855 6 HG3 PRO 105 HG1 PRO 105 16.891 -0.602 -0.944 7 HD3 PRO 105 HD1 PRO 105 15.650 0.952 -2.180 No H/Q in entry = 7 In of MODEL 8 1 HA GLU 106 HA GLU 106 12.195 -3.825 0.620 2 HB2 GLU 106 HB2 GLU 106 11.362 -1.160 1.760 3 HG2 GLU 106 HG2 GLU 106 13.610 -3.001 2.402 4 H GLU 106 HN GLU 106 13.197 -1.260 0.057 5 HB3 GLU 106 HB1 GLU 106 10.995 -2.732 2.457 6 HG3 GLU 106 HG1 GLU 106 13.566 -1.241 2.357 No H/Q in entry = 6 In of MODEL 8 1 HA LEU 107 HA LEU 107 8.004 -1.833 -0.636 2 HB2 LEU 107 HB2 LEU 107 9.381 0.241 -2.334 3 HG LEU 107 HG LEU 107 9.221 0.755 0.128 4 HD13 LEU 107 HD11 LEU 107 8.365 3.008 -0.259 5 HD12 LEU 107 HD12 LEU 107 7.663 2.478 -1.789 6 HD11 LEU 107 HD13 LEU 107 9.416 2.484 -1.577 7 HD21 LEU 107 HD21 LEU 107 6.278 0.737 -0.526 8 HD23 LEU 107 HD22 LEU 107 6.985 1.405 0.947 9 HD22 LEU 107 HD23 LEU 107 7.111 -0.322 0.610 10 H LEU 107 HN LEU 107 10.675 -0.905 -0.635 11 HB3 LEU 107 HB1 LEU 107 7.650 -0.032 -2.314 No H/Q in entry = 11 In of MODEL 8 1 HA MET 108 HA MET 108 8.919 -2.897 -5.205 2 HB2 MET 108 HB2 MET 108 10.913 -3.193 -6.440 3 HG2 MET 108 HG2 MET 108 12.472 -2.596 -3.943 4 HE1 MET 108 HE1 MET 108 12.478 -0.585 -6.416 5 HE3 MET 108 HE2 MET 108 14.209 -0.334 -6.654 6 HE2 MET 108 HE3 MET 108 13.540 -0.385 -5.022 7 H MET 108 HN MET 108 10.526 -1.798 -3.127 8 HB3 MET 108 HB1 MET 108 10.974 -1.645 -5.622 9 HG3 MET 108 HG1 MET 108 12.409 -4.149 -4.776 No H/Q in entry = 9 In of MODEL 8 1 HA ALA 109 HA ALA 109 10.737 -7.007 -3.781 2 HB1 ALA 109 HB1 ALA 109 12.478 -6.387 -2.163 3 HB2 ALA 109 HB2 ALA 109 11.550 -7.780 -1.609 4 HB3 ALA 109 HB3 ALA 109 11.247 -6.186 -0.917 5 H ALA 109 HN ALA 109 10.916 -4.387 -2.690 No H/Q in entry = 5 In of MODEL 8 1 HA GLU 110 HA GLU 110 7.071 -7.436 -0.743 2 HB2 GLU 110 HB2 GLU 110 6.779 -4.442 -0.436 3 HG2 GLU 110 HG2 GLU 110 7.242 -6.582 1.628 4 H GLU 110 HN GLU 110 8.891 -5.311 -1.273 5 HB3 GLU 110 HB1 GLU 110 5.581 -5.597 0.123 6 HG3 GLU 110 HG1 GLU 110 8.429 -5.397 1.080 No H/Q in entry = 6 In of MODEL 8 1 HA LYS 111 HA LYS 111 4.548 -5.044 -4.045 2 HB2 LYS 111 HB2 LYS 111 5.541 -3.033 -4.636 3 HG2 LYS 111 HG2 LYS 111 6.210 -4.569 -7.120 4 HD2 LYS 111 HD2 LYS 111 4.906 -1.880 -6.804 5 HE2 LYS 111 HE2 LYS 111 6.490 -2.932 -9.117 6 HZ2 LYS 111 HZ1 LYS 111 5.991 -0.587 -9.114 7 HZ1 LYS 111 HZ2 LYS 111 4.334 -0.905 -8.912 8 HZ3 LYS 111 HZ3 LYS 111 5.118 -1.365 -10.343 9 H LYS 111 HN LYS 111 7.106 -4.717 -2.958 10 HB3 LYS 111 HB1 LYS 111 7.068 -3.793 -5.069 11 HG3 LYS 111 HG1 LYS 111 4.549 -4.220 -6.648 12 HD3 LYS 111 HD1 LYS 111 6.652 -2.093 -6.952 13 HE3 LYS 111 HE1 LYS 111 4.770 -3.291 -8.953 No H/Q in entry = 13 In of MODEL 8 1 HA ASP 112 HA ASP 112 6.540 -7.701 -7.414 2 HB2 ASP 112 HB2 ASP 112 8.931 -7.176 -7.235 3 H ASP 112 HN ASP 112 7.645 -6.388 -5.158 4 HB3 ASP 112 HB1 ASP 112 9.087 -8.314 -5.900 No H/Q in entry = 4 In of MODEL 8 1 HA SER 113 HA SER 113 6.285 -11.397 -4.635 2 HB2 SER 113 HB2 SER 113 6.821 -9.973 -2.024 3 HG SER 113 HG SER 113 8.711 -9.909 -3.015 4 H SER 113 HN SER 113 6.766 -8.576 -4.069 5 HB3 SER 113 HB1 SER 113 6.726 -11.716 -2.242 No H/Q in entry = 5 In of MODEL 8 1 HA LEU 114 HA LEU 114 2.511 -9.855 -2.247 2 HB2 LEU 114 HB2 LEU 114 3.179 -7.383 -2.467 3 HG LEU 114 HG LEU 114 0.303 -8.241 -2.241 4 HD12 LEU 114 HD11 LEU 114 0.629 -7.500 0.093 5 HD11 LEU 114 HD12 LEU 114 2.311 -7.124 -0.279 6 HD13 LEU 114 HD13 LEU 114 1.739 -8.792 -0.368 7 HD21 LEU 114 HD21 LEU 114 0.388 -5.985 -3.257 8 HD23 LEU 114 HD22 LEU 114 1.327 -5.436 -1.869 9 HD22 LEU 114 HD23 LEU 114 -0.326 -6.005 -1.648 10 H LEU 114 HN LEU 114 4.441 -8.664 -4.013 11 HB3 LEU 114 HB1 LEU 114 2.117 -7.352 -3.864 No H/Q in entry = 11 In of MODEL 8 1 HA ASP 115 HA ASP 115 0.109 -11.733 -5.302 2 HB2 ASP 115 HB2 ASP 115 -0.711 -12.682 -3.124 3 H ASP 115 HN ASP 115 0.452 -10.535 -2.735 4 HB3 ASP 115 HB1 ASP 115 -1.950 -11.432 -3.106 No H/Q in entry = 4 In of MODEL 8 1 HA PRO 116 HA PRO 116 -1.662 -8.316 -7.433 2 HB2 PRO 116 HB2 PRO 116 -2.874 -9.683 -9.461 3 HG2 PRO 116 HG2 PRO 116 -2.693 -11.826 -8.565 4 HD2 PRO 116 HD2 PRO 116 -1.157 -12.339 -6.895 5 HB3 PRO 116 HB1 PRO 116 -1.131 -9.399 -9.380 6 HG3 PRO 116 HG1 PRO 116 -1.187 -11.732 -9.502 7 HD3 PRO 116 HD1 PRO 116 0.107 -11.322 -7.616 No H/Q in entry = 7 In of MODEL 8 1 HA SER 117 HA SER 117 -6.165 -9.917 -6.862 2 HB2 SER 117 HB2 SER 117 -5.798 -12.144 -5.859 3 HG SER 117 HG SER 117 -7.686 -10.357 -4.934 4 H SER 117 HN SER 117 -3.621 -10.865 -6.130 5 HB3 SER 117 HB1 SER 117 -5.392 -11.381 -4.325 No H/Q in entry = 5 In of MODEL 8 1 HA PHE 118 HA PHE 118 -5.822 -7.010 -3.306 2 HB2 PHE 118 HB2 PHE 118 -2.832 -7.210 -2.865 3 HD1 PHE 118 HD1 PHE 118 -5.259 -7.418 -0.213 4 HD2 PHE 118 HD2 PHE 118 -2.905 -9.678 -2.934 5 HE1 PHE 118 HE1 PHE 118 -5.596 -9.422 1.162 6 HE2 PHE 118 HE2 PHE 118 -3.250 -11.689 -1.576 7 HZ PHE 118 HZ PHE 118 -4.596 -11.567 0.484 8 H PHE 118 HN PHE 118 -3.853 -8.704 -4.646 9 HB3 PHE 118 HB1 PHE 118 -3.977 -6.327 -1.859 No H/Q in entry = 9 In of MODEL 8 1 HA THR 119 HA THR 119 -4.644 -4.607 -6.923 2 HB THR 119 HB THR 119 -7.389 -3.670 -6.091 3 HG1 THR 119 HG1 THR 119 -6.452 -5.556 -7.997 4 HG22 THR 119 HG21 THR 119 -7.460 -2.592 -8.293 5 HG21 THR 119 HG22 THR 119 -5.787 -3.073 -8.578 6 HG23 THR 119 HG23 THR 119 -6.167 -1.933 -7.287 7 H THR 119 HN THR 119 -6.398 -5.778 -5.105 No H/Q in entry = 7 In of MODEL 8 1 HA HIS 120 HA HIS 120 -5.010 -0.608 -4.542 2 HB2 HIS 120 HB2 HIS 120 -6.406 -1.707 -2.109 3 HD1 HIS 120 HD1 HIS 120 -6.845 0.528 -5.160 4 HD2 HIS 120 HD2 HIS 120 -9.100 -1.632 -2.413 5 HE1 HIS 120 HE1 HIS 120 -9.216 0.648 -5.990 6 HE2 HIS 120 HE2 HIS 120 -10.579 -0.649 -4.307 7 H HIS 120 HN HIS 120 -6.196 -3.156 -4.055 8 HB3 HIS 120 HB1 HIS 120 -5.923 -0.026 -2.311 No H/Q in entry = 8 In of MODEL 8 1 HA ALA 121 HA ALA 121 -2.129 -2.158 -0.987 2 HB3 ALA 121 HB1 ALA 121 -1.450 -4.383 -0.466 3 HB2 ALA 121 HB2 ALA 121 -2.303 -5.030 -1.866 4 HB1 ALA 121 HB3 ALA 121 -3.215 -4.363 -0.512 5 H ALA 121 HN ALA 121 -4.285 -3.301 -2.360 No H/Q in entry = 5 In of MODEL 8 1 HA MET 122 HA MET 122 0.514 -3.682 -4.625 2 HB2 MET 122 HB2 MET 122 -1.958 -4.277 -6.208 3 HG2 MET 122 HG2 MET 122 -0.573 -5.942 -4.744 4 HE1 MET 122 HE1 MET 122 2.011 -5.298 -4.460 5 HE3 MET 122 HE2 MET 122 1.919 -4.144 -5.792 6 HE2 MET 122 HE3 MET 122 3.185 -5.370 -5.775 7 H MET 122 HN MET 122 -2.267 -3.822 -4.048 8 HB3 MET 122 HB1 MET 122 -0.423 -4.067 -7.040 9 HG3 MET 122 HG1 MET 122 -1.289 -6.425 -6.280 No H/Q in entry = 9 In of MODEL 8 1 HA GLN 123 HA GLN 123 -0.878 0.140 -7.036 2 HB2 GLN 123 HB2 GLN 123 -3.245 0.208 -7.204 3 HG2 GLN 123 HG2 GLN 123 -2.264 2.591 -5.719 4 HE21 GLN 123 HE21 GLN 123 -3.704 2.821 -4.032 5 HE22 GLN 123 HE22 GLN 123 -5.369 3.217 -4.268 6 H GLN 123 HN GLN 123 -2.243 -1.628 -5.298 7 HB3 GLN 123 HB1 GLN 123 -3.448 0.259 -5.461 8 HG3 GLN 123 HG1 GLN 123 -2.867 2.457 -7.368 No H/Q in entry = 8 In of MODEL 8 1 HA LEU 124 HA LEU 124 -0.410 2.847 -3.323 2 HB2 LEU 124 HB2 LEU 124 -0.827 0.707 -1.232 3 HG LEU 124 HG LEU 124 -2.872 1.738 -2.412 4 HD12 LEU 124 HD11 LEU 124 -2.584 1.977 0.586 5 HD11 LEU 124 HD12 LEU 124 -2.998 0.512 -0.303 6 HD13 LEU 124 HD13 LEU 124 -4.105 1.884 -0.304 7 HD22 LEU 124 HD21 LEU 124 -3.553 3.929 -1.566 8 HD21 LEU 124 HD22 LEU 124 -2.048 4.031 -2.477 9 HD23 LEU 124 HD23 LEU 124 -2.014 4.084 -0.715 10 H LEU 124 HN LEU 124 -1.520 0.292 -3.557 11 HB3 LEU 124 HB1 LEU 124 -0.368 2.358 -0.856 No H/Q in entry = 11 In of MODEL 8 1 HA LEU 125 HA LEU 125 3.566 0.373 -2.138 2 HB2 LEU 125 HB2 LEU 125 2.467 -1.915 -3.735 3 HG LEU 125 HG LEU 125 2.349 -2.003 -1.226 4 HD11 LEU 125 HD11 LEU 125 2.282 -3.990 -2.667 5 HD13 LEU 125 HD12 LEU 125 3.091 -4.315 -1.137 6 HD12 LEU 125 HD13 LEU 125 4.040 -4.087 -2.603 7 HD23 LEU 125 HD21 LEU 125 4.424 -2.517 -0.033 8 HD22 LEU 125 HD22 LEU 125 4.489 -0.910 -0.753 9 HD21 LEU 125 HD23 LEU 125 5.348 -2.252 -1.514 10 H LEU 125 HN LEU 125 0.996 -0.352 -3.119 11 HB3 LEU 125 HB1 LEU 125 4.199 -1.732 -3.591 No H/Q in entry = 11 In of MODEL 8 1 HA THR 126 HA THR 126 4.527 0.794 -6.668 2 HB THR 126 HB THR 126 1.649 1.047 -7.546 3 HG1 THR 126 HG1 THR 126 2.048 -1.047 -7.592 4 HG21 THR 126 HG21 THR 126 4.129 1.387 -9.238 5 HG23 THR 126 HG22 THR 126 2.949 2.639 -8.852 6 HG22 THR 126 HG23 THR 126 2.480 1.264 -9.851 7 H THR 126 HN THR 126 2.072 0.365 -5.290 No H/Q in entry = 7 In of MODEL 8 1 HA ALA 127 HA ALA 127 2.670 5.239 -6.719 2 HB1 ALA 127 HB1 ALA 127 1.147 4.780 -4.166 3 HB3 ALA 127 HB2 ALA 127 0.465 4.850 -5.791 4 HB2 ALA 127 HB3 ALA 127 1.207 6.287 -5.082 5 H ALA 127 HN ALA 127 1.861 2.835 -5.591 No H/Q in entry = 5 In of MODEL 8 1 HA GLU 128 HA GLU 128 4.848 5.999 -2.497 2 HB2 GLU 128 HB2 GLU 128 4.000 4.092 -1.143 3 HG2 GLU 128 HG2 GLU 128 6.011 3.692 0.257 4 H GLU 128 HN GLU 128 3.358 3.865 -3.501 5 HB3 GLU 128 HB1 GLU 128 5.216 3.060 -1.877 6 HG3 GLU 128 HG1 GLU 128 6.957 4.566 -0.943 No H/Q in entry = 6 In of MODEL 8 1 HA ILE 129 HA ILE 129 8.592 3.614 -4.294 2 HB ILE 129 HB ILE 129 6.886 2.224 -6.363 3 HD12 ILE 129 HD11 ILE 129 7.657 -0.975 -4.600 4 HD11 ILE 129 HD12 ILE 129 8.428 -0.410 -6.084 5 HD13 ILE 129 HD13 ILE 129 6.679 -0.274 -5.890 6 H ILE 129 HN ILE 129 5.836 3.142 -4.320 No H/Q in entry = 6 In of MODEL 8 1 HA GLU 130 HA GLU 130 7.626 6.171 -8.287 2 HB2 GLU 130 HB2 GLU 130 4.846 6.693 -7.245 3 HG2 GLU 130 HG2 GLU 130 5.897 5.493 -9.787 4 H GLU 130 HN GLU 130 6.056 4.770 -6.442 5 HB3 GLU 130 HB1 GLU 130 5.585 7.655 -8.516 6 HG3 GLU 130 HG1 GLU 130 4.845 4.749 -8.581 No H/Q in entry = 6 In of MODEL 8 1 HA LYS 131 HA LYS 131 6.928 9.836 -5.222 2 HB2 LYS 131 HB2 LYS 131 5.548 8.740 -3.456 3 HG2 LYS 131 HG2 LYS 131 7.830 10.454 -2.499 4 HD2 LYS 131 HD2 LYS 131 5.944 10.967 -0.703 5 HE2 LYS 131 HE2 LYS 131 8.281 10.279 -0.235 6 HZ1 LYS 131 HZ1 LYS 131 8.306 8.172 -1.426 7 HZ3 LYS 131 HZ2 LYS 131 7.193 7.512 -0.333 8 HZ2 LYS 131 HZ3 LYS 131 8.753 7.960 0.195 9 H LYS 131 HN LYS 131 6.355 7.105 -5.105 10 HB3 LYS 131 HB1 LYS 131 7.022 8.085 -2.756 11 HG3 LYS 131 HG1 LYS 131 6.211 10.976 -2.958 12 HD3 LYS 131 HD1 LYS 131 5.541 9.279 -1.023 13 HE3 LYS 131 HE1 LYS 131 7.109 9.594 0.885 No H/Q in entry = 13 In of MODEL 8 1 HA ILE 132 HA ILE 132 11.059 8.736 -3.137 2 HB ILE 132 HB ILE 132 11.231 5.854 -3.991 3 HD11 ILE 132 HD11 ILE 132 10.655 4.108 -2.139 4 HD13 ILE 132 HD12 ILE 132 9.818 4.679 -0.695 5 HD12 ILE 132 HD13 ILE 132 11.533 5.031 -0.919 6 H ILE 132 HN ILE 132 8.860 7.167 -3.949 No H/Q in entry = 6 In of MODEL 8 1 HA GLN 133 HA GLN 133 12.959 7.416 -7.221 2 HB2 GLN 133 HB2 GLN 133 10.425 6.275 -8.379 3 HG2 GLN 133 HG2 GLN 133 13.068 5.036 -7.645 4 HE21 GLN 133 HE21 GLN 133 9.981 4.698 -9.219 5 HE22 GLN 133 HE22 GLN 133 10.268 3.120 -9.858 6 H GLN 133 HN GLN 133 10.366 6.942 -6.110 7 HB3 GLN 133 HB1 GLN 133 11.914 6.428 -9.302 8 HG3 GLN 133 HG1 GLN 133 11.554 4.858 -6.763 No H/Q in entry = 8 In of MODEL 8 1 HA LYS 134 HA LYS 134 10.614 10.778 -9.606 2 HB2 LYS 134 HB2 LYS 134 8.778 11.421 -7.293 3 HG2 LYS 134 HG2 LYS 134 8.095 10.431 -10.042 4 HD2 LYS 134 HD2 LYS 134 6.467 11.384 -7.705 5 HE2 LYS 134 HE2 LYS 134 5.574 9.201 -8.345 6 HZ1 LYS 134 HZ1 LYS 134 6.382 9.167 -10.653 7 HZ3 LYS 134 HZ2 LYS 134 5.224 10.338 -11.069 8 HZ2 LYS 134 HZ3 LYS 134 4.730 8.803 -10.536 9 H LYS 134 HN LYS 134 9.962 9.187 -7.306 10 HB3 LYS 134 HB1 LYS 134 8.896 12.352 -8.777 11 HG3 LYS 134 HG1 LYS 134 7.974 9.507 -8.542 12 HD3 LYS 134 HD1 LYS 134 6.389 11.916 -9.385 13 HE3 LYS 134 HE1 LYS 134 4.479 10.503 -8.802 No H/Q in entry = 13 In of MODEL 8 1 HA3 GLY 135 HA2 GLY 135 11.977 13.674 -6.200 2 H GLY 135 HN GLY 135 11.415 10.873 -6.244 3 HA2 GLY 135 HA1 GLY 135 12.305 12.522 -4.913 No H/Q in entry = 3 In of MODEL 9 1 H1 GLY 95 HT1 GLY 95 -13.348 2.681 -11.959 2 H2 GLY 95 HT3 GLY 95 -14.401 1.701 -12.859 3 H3 GLY 95 HT2 GLY 95 -12.735 1.672 -13.172 4 HA3 GLY 95 HA1 GLY 95 -13.899 2.943 -14.864 5 HA2 GLY 95 HA2 GLY 95 -14.546 3.986 -13.604 No H/Q in entry = 5 In of MODEL 9 1 HA ALA 96 HA ALA 96 -10.787 6.038 -14.782 2 HB3 ALA 96 HB1 ALA 96 -11.165 8.421 -15.027 3 HB1 ALA 96 HB2 ALA 96 -12.757 8.268 -14.286 4 HB2 ALA 96 HB3 ALA 96 -12.440 7.523 -15.853 5 H ALA 96 HN ALA 96 -13.601 5.895 -14.117 No H/Q in entry = 5 In of MODEL 9 1 HA MET 97 HA MET 97 -10.482 7.144 -10.396 2 HB2 MET 97 HB2 MET 97 -11.425 8.945 -9.152 3 HG2 MET 97 HG2 MET 97 -13.790 8.251 -9.158 4 HE2 MET 97 HE1 MET 97 -16.060 10.089 -10.408 5 HE1 MET 97 HE2 MET 97 -16.275 8.379 -10.036 6 HE3 MET 97 HE3 MET 97 -16.726 9.000 -11.623 7 H MET 97 HN MET 97 -12.880 6.938 -12.086 8 HB3 MET 97 HB1 MET 97 -11.566 9.381 -10.848 9 HG3 MET 97 HG1 MET 97 -13.559 9.958 -9.527 No H/Q in entry = 9 In of MODEL 9 1 HA GLU 98 HA GLU 98 -12.787 4.365 -7.978 2 HB2 GLU 98 HB2 GLU 98 -10.421 5.036 -6.206 3 HG2 GLU 98 HG2 GLU 98 -10.760 2.838 -8.234 4 H GLU 98 HN GLU 98 -10.720 6.388 -8.263 5 HB3 GLU 98 HB1 GLU 98 -11.471 3.633 -6.031 6 HG3 GLU 98 HG1 GLU 98 -9.696 4.233 -8.386 No H/Q in entry = 6 In of MODEL 9 1 HA PRO 99 HA PRO 99 -15.240 7.214 -5.597 2 HB2 PRO 99 HB2 PRO 99 -17.197 5.536 -4.842 3 HG2 PRO 99 HG2 PRO 99 -16.069 3.533 -5.212 4 HD2 PRO 99 HD2 PRO 99 -14.294 3.369 -6.691 5 HB3 PRO 99 HB1 PRO 99 -17.027 6.048 -6.529 6 HG3 PRO 99 HG1 PRO 99 -16.975 3.708 -6.728 7 HD3 PRO 99 HD1 PRO 99 -15.091 4.386 -7.912 No H/Q in entry = 7 In of MODEL 9 1 HA GLU 100 HA GLU 100 -13.245 6.689 -1.838 2 HB2 GLU 100 HB2 GLU 100 -13.611 9.077 -1.929 3 HG2 GLU 100 HG2 GLU 100 -14.501 8.044 0.748 4 H GLU 100 HN GLU 100 -15.030 7.882 -3.608 5 HB3 GLU 100 HB1 GLU 100 -15.279 8.876 -1.418 6 HG3 GLU 100 HG1 GLU 100 -12.833 8.293 0.228 No H/Q in entry = 6 In of MODEL 9 1 HA ASN 101 HA ASN 101 -17.062 5.678 0.769 2 HB2 ASN 101 HB2 ASN 101 -18.848 6.884 -0.531 3 HD21 ASN 101 HD21 ASN 101 -18.299 5.496 1.947 4 HD22 ASN 101 HD22 ASN 101 -19.795 4.830 2.492 5 H ASN 101 HN ASN 101 -16.774 6.865 -1.721 6 HB3 ASN 101 HB1 ASN 101 -19.061 5.410 -1.472 No H/Q in entry = 6 In of MODEL 9 1 HA LYS 102 HA LYS 102 -17.137 1.529 -1.290 2 HB2 LYS 102 HB2 LYS 102 -16.981 2.779 -3.922 3 HG2 LYS 102 HG2 LYS 102 -18.774 1.168 -2.596 4 HD2 LYS 102 HD2 LYS 102 -19.025 -0.785 -4.057 5 HE2 LYS 102 HE2 LYS 102 -16.257 -0.658 -2.874 6 HZ1 LYS 102 HZ1 LYS 102 -16.880 -2.649 -4.258 7 HZ3 LYS 102 HZ2 LYS 102 -18.044 -3.011 -3.079 8 HZ2 LYS 102 HZ3 LYS 102 -16.399 -2.979 -2.664 9 H LYS 102 HN LYS 102 -16.697 4.176 -2.371 10 HB3 LYS 102 HB1 LYS 102 -16.158 1.227 -3.853 11 HG3 LYS 102 HG1 LYS 102 -18.838 1.638 -4.297 12 HD3 LYS 102 HD1 LYS 102 -17.535 -0.338 -4.896 13 HE3 LYS 102 HE1 LYS 102 -17.724 -0.983 -1.954 No H/Q in entry = 13 In of MODEL 9 1 HA TYR 103 HA TYR 103 -12.460 1.755 -2.539 2 HB2 TYR 103 HB2 TYR 103 -12.378 4.110 -3.208 3 HD1 TYR 103 HD1 TYR 103 -10.383 5.354 -0.753 4 HD2 TYR 103 HD2 TYR 103 -10.388 2.262 -3.669 5 HE1 TYR 103 HE1 TYR 103 -7.932 5.373 -0.746 6 HE2 TYR 103 HE2 TYR 103 -7.930 2.262 -3.684 7 HH TYR 103 HH TYR 103 -6.064 4.305 -1.475 8 H TYR 103 HN TYR 103 -14.515 3.601 -2.176 9 HB3 TYR 103 HB1 TYR 103 -12.379 4.600 -1.522 No H/Q in entry = 9 In of MODEL 9 1 HA LEU 104 HA LEU 104 -11.580 2.555 2.099 2 HB2 LEU 104 HB2 LEU 104 -13.219 4.202 2.734 3 HG LEU 104 HG LEU 104 -13.403 1.874 4.654 4 HD11 LEU 104 HD11 LEU 104 -11.103 2.547 4.199 5 HD13 LEU 104 HD12 LEU 104 -11.585 2.987 5.838 6 HD12 LEU 104 HD13 LEU 104 -11.513 4.219 4.581 7 HD23 LEU 104 HD21 LEU 104 -13.928 3.582 6.327 8 HD22 LEU 104 HD22 LEU 104 -15.151 3.509 5.058 9 HD21 LEU 104 HD23 LEU 104 -13.959 4.809 5.059 10 H LEU 104 HN LEU 104 -13.770 3.144 0.435 11 HB3 LEU 104 HB1 LEU 104 -14.492 2.994 2.744 No H/Q in entry = 11 In of MODEL 9 1 HA PRO 105 HA PRO 105 -14.032 -1.377 3.547 2 HB2 PRO 105 HB2 PRO 105 -15.803 -2.413 1.710 3 HG2 PRO 105 HG2 PRO 105 -15.687 -0.643 0.183 4 HD2 PRO 105 HD2 PRO 105 -14.987 1.492 0.814 5 HB3 PRO 105 HB1 PRO 105 -16.280 -1.353 3.044 6 HG3 PRO 105 HG1 PRO 105 -17.053 -0.126 1.201 7 HD3 PRO 105 HD1 PRO 105 -15.729 1.360 2.422 No H/Q in entry = 7 In of MODEL 9 1 HA GLU 106 HA GLU 106 -12.414 -3.459 -0.485 2 HB2 GLU 106 HB2 GLU 106 -11.532 -0.785 -1.555 3 HG2 GLU 106 HG2 GLU 106 -13.851 -1.082 -2.023 4 H GLU 106 HN GLU 106 -13.344 -0.884 0.124 5 HB3 GLU 106 HB1 GLU 106 -11.133 -2.338 -2.270 6 HG3 GLU 106 HG1 GLU 106 -12.931 -1.371 -3.498 No H/Q in entry = 6 In of MODEL 9 1 HA LEU 107 HA LEU 107 -8.167 -1.635 0.861 2 HB2 LEU 107 HB2 LEU 107 -9.467 0.464 2.592 3 HG LEU 107 HG LEU 107 -9.271 1.014 0.144 4 HD13 LEU 107 HD11 LEU 107 -9.382 2.731 1.867 5 HD12 LEU 107 HD12 LEU 107 -8.290 3.215 0.568 6 HD11 LEU 107 HD13 LEU 107 -7.637 2.626 2.097 7 HD22 LEU 107 HD21 LEU 107 -7.212 -0.157 -0.349 8 HD21 LEU 107 HD22 LEU 107 -6.334 0.849 0.804 9 HD23 LEU 107 HD23 LEU 107 -7.008 1.566 -0.661 10 H LEU 107 HN LEU 107 -10.807 -0.608 0.850 11 HB3 LEU 107 HB1 LEU 107 -7.751 0.113 2.578 No H/Q in entry = 11 In of MODEL 9 1 HA MET 108 HA MET 108 -9.145 -2.749 5.403 2 HB2 MET 108 HB2 MET 108 -11.153 -3.034 6.612 3 HG2 MET 108 HG2 MET 108 -12.677 -2.496 4.080 4 HE2 MET 108 HE1 MET 108 -14.446 -0.105 6.640 5 HE1 MET 108 HE2 MET 108 -13.712 -0.239 5.042 6 HE3 MET 108 HE3 MET 108 -12.711 -0.383 6.489 7 H MET 108 HN MET 108 -10.703 -1.576 3.336 8 HB3 MET 108 HB1 MET 108 -11.220 -1.487 5.790 9 HG3 MET 108 HG1 MET 108 -12.639 -4.011 4.980 No H/Q in entry = 9 In of MODEL 9 1 HA ALA 109 HA ALA 109 -11.028 -6.797 3.894 2 HB3 ALA 109 HB1 ALA 109 -11.793 -7.509 1.653 3 HB2 ALA 109 HB2 ALA 109 -11.499 -5.875 1.050 4 HB1 ALA 109 HB3 ALA 109 -12.736 -6.154 2.276 5 H ALA 109 HN ALA 109 -11.111 -4.165 2.829 No H/Q in entry = 5 In of MODEL 9 1 HA GLU 110 HA GLU 110 -7.345 -7.372 0.960 2 HB2 GLU 110 HB2 GLU 110 -6.928 -4.410 0.511 3 HG2 GLU 110 HG2 GLU 110 -7.562 -6.644 -1.398 4 H GLU 110 HN GLU 110 -9.070 -5.140 1.434 5 HB3 GLU 110 HB1 GLU 110 -5.786 -5.645 -0.001 6 HG3 GLU 110 HG1 GLU 110 -8.621 -5.307 -0.950 No H/Q in entry = 6 In of MODEL 9 1 HA LYS 111 HA LYS 111 -4.797 -4.873 4.237 2 HB2 LYS 111 HB2 LYS 111 -5.889 -2.955 4.908 3 HG2 LYS 111 HG2 LYS 111 -6.525 -4.726 7.259 4 HD2 LYS 111 HD2 LYS 111 -5.801 -1.806 7.231 5 HE2 LYS 111 HE2 LYS 111 -5.510 -3.127 9.332 6 HZ3 LYS 111 HZ1 LYS 111 -8.470 -3.251 9.354 7 HZ2 LYS 111 HZ2 LYS 111 -7.405 -3.890 10.500 8 HZ1 LYS 111 HZ3 LYS 111 -7.496 -4.577 8.953 9 H LYS 111 HN LYS 111 -7.340 -4.630 3.121 10 HB3 LYS 111 HB1 LYS 111 -7.404 -3.790 5.207 11 HG3 LYS 111 HG1 LYS 111 -4.949 -3.992 6.944 12 HD3 LYS 111 HD1 LYS 111 -7.471 -2.367 7.171 13 HE3 LYS 111 HE1 LYS 111 -6.640 -1.778 9.453 No H/Q in entry = 13 In of MODEL 9 1 HA ASP 112 HA ASP 112 -6.422 -7.802 7.420 2 HB2 ASP 112 HB2 ASP 112 -9.272 -7.661 6.539 3 H ASP 112 HN ASP 112 -7.824 -6.410 5.317 4 HB3 ASP 112 HB1 ASP 112 -8.760 -8.967 7.606 No H/Q in entry = 4 In of MODEL 9 1 HA SER 113 HA SER 113 -6.638 -11.285 4.489 2 HB2 SER 113 HB2 SER 113 -7.049 -9.628 1.992 3 HG SER 113 HG SER 113 -8.916 -9.523 3.108 4 H SER 113 HN SER 113 -6.773 -8.371 4.161 5 HB3 SER 113 HB1 SER 113 -7.070 -11.389 2.066 No H/Q in entry = 5 In of MODEL 9 1 HA LEU 114 HA LEU 114 -2.694 -9.833 2.328 2 HB2 LEU 114 HB2 LEU 114 -3.329 -7.323 2.589 3 HG LEU 114 HG LEU 114 -0.477 -8.249 2.366 4 HD11 LEU 114 HD11 LEU 114 -2.465 -7.100 0.404 5 HD13 LEU 114 HD12 LEU 114 -1.899 -8.768 0.478 6 HD12 LEU 114 HD13 LEU 114 -0.783 -7.476 0.031 7 HD22 LEU 114 HD21 LEU 114 0.164 -6.006 1.768 8 HD21 LEU 114 HD22 LEU 114 -0.521 -6.013 3.394 9 HD23 LEU 114 HD23 LEU 114 -1.483 -5.438 2.035 10 H LEU 114 HN LEU 114 -4.673 -8.597 4.018 11 HB3 LEU 114 HB1 LEU 114 -2.273 -7.366 3.987 No H/Q in entry = 11 In of MODEL 9 1 HA ASP 115 HA ASP 115 -0.557 -11.705 5.603 2 HB2 ASP 115 HB2 ASP 115 0.276 -12.838 3.491 3 H ASP 115 HN ASP 115 -0.683 -10.597 2.960 4 HB3 ASP 115 HB1 ASP 115 1.627 -11.713 3.509 No H/Q in entry = 4 In of MODEL 9 1 HA PRO 116 HA PRO 116 1.384 -8.317 7.646 2 HB2 PRO 116 HB2 PRO 116 2.618 -9.728 9.650 3 HG2 PRO 116 HG2 PRO 116 2.254 -11.858 8.776 4 HD2 PRO 116 HD2 PRO 116 0.556 -12.289 7.227 5 HB3 PRO 116 HB1 PRO 116 0.896 -9.326 9.640 6 HG3 PRO 116 HG1 PRO 116 0.811 -11.657 9.795 7 HD3 PRO 116 HD1 PRO 116 -0.544 -11.105 7.968 No H/Q in entry = 7 In of MODEL 9 1 HA SER 117 HA SER 117 5.810 -10.178 6.970 2 HB2 SER 117 HB2 SER 117 4.879 -11.438 4.381 3 HG SER 117 HG SER 117 4.204 -12.781 5.969 4 H SER 117 HN SER 117 3.204 -10.947 6.318 5 HB3 SER 117 HB1 SER 117 6.518 -11.467 5.024 No H/Q in entry = 5 In of MODEL 9 1 HA PHE 118 HA PHE 118 5.609 -7.179 3.461 2 HB2 PHE 118 HB2 PHE 118 2.621 -7.209 2.988 3 HD1 PHE 118 HD1 PHE 118 2.504 -9.663 3.042 4 HD2 PHE 118 HD2 PHE 118 5.104 -7.592 0.388 5 HE1 PHE 118 HE1 PHE 118 2.736 -11.694 1.696 6 HE2 PHE 118 HE2 PHE 118 5.331 -9.623 -0.973 7 HZ PHE 118 HZ PHE 118 4.152 -11.681 -0.325 8 H PHE 118 HN PHE 118 3.534 -8.760 4.785 9 HB3 PHE 118 HB1 PHE 118 3.825 -6.399 1.990 No H/Q in entry = 9 In of MODEL 9 1 HA THR 119 HA THR 119 4.505 -4.670 7.020 2 HB THR 119 HB THR 119 7.305 -3.905 6.196 3 HG1 THR 119 HG1 THR 119 6.689 -6.043 7.281 4 HG23 THR 119 HG21 THR 119 6.187 -2.014 7.248 5 HG22 THR 119 HG22 THR 119 7.408 -2.690 8.327 6 HG21 THR 119 HG23 THR 119 5.700 -3.036 8.604 7 H THR 119 HN THR 119 6.234 -5.903 5.200 No H/Q in entry = 7 In of MODEL 9 1 HA HIS 120 HA HIS 120 5.094 -0.730 4.536 2 HB2 HIS 120 HB2 HIS 120 6.195 -1.958 2.009 3 HD1 HIS 120 HD1 HIS 120 7.411 0.314 4.833 4 HD2 HIS 120 HD2 HIS 120 8.715 -2.743 2.353 5 HE1 HIS 120 HE1 HIS 120 9.749 -0.204 5.577 6 HE2 HIS 120 HE2 HIS 120 10.386 -2.254 4.265 7 H HIS 120 HN HIS 120 6.067 -3.382 4.102 8 HB3 HIS 120 HB1 HIS 120 6.042 -0.240 2.350 No H/Q in entry = 8 In of MODEL 9 1 HA ALA 121 HA ALA 121 2.020 -2.159 1.096 2 HB1 ALA 121 HB1 ALA 121 1.258 -4.352 0.555 3 HB2 ALA 121 HB2 ALA 121 2.118 -5.046 1.929 4 HB3 ALA 121 HB3 ALA 121 3.022 -4.393 0.565 5 H ALA 121 HN ALA 121 4.165 -3.393 2.397 No H/Q in entry = 5 In of MODEL 9 1 HA MET 122 HA MET 122 -0.573 -3.673 4.764 2 HB2 MET 122 HB2 MET 122 1.905 -4.318 6.309 3 HG2 MET 122 HG2 MET 122 0.461 -5.939 4.851 4 HE3 MET 122 HE1 MET 122 -1.971 -4.100 5.991 5 HE2 MET 122 HE2 MET 122 -3.267 -5.295 5.977 6 HE1 MET 122 HE3 MET 122 -2.119 -5.222 4.639 7 H MET 122 HN MET 122 2.197 -3.837 4.151 8 HB3 MET 122 HB1 MET 122 0.386 -4.087 7.166 9 HG3 MET 122 HG1 MET 122 1.196 -6.454 6.366 No H/Q in entry = 9 In of MODEL 9 1 HA GLN 123 HA GLN 123 0.810 0.105 7.222 2 HB2 GLN 123 HB2 GLN 123 3.159 0.234 7.466 3 HG2 GLN 123 HG2 GLN 123 2.390 2.575 5.743 4 HE21 GLN 123 HE21 GLN 123 4.952 1.058 7.592 5 HE22 GLN 123 HE22 GLN 123 6.166 2.239 7.221 6 H GLN 123 HN GLN 123 2.221 -1.633 5.479 7 HB3 GLN 123 HB1 GLN 123 3.424 0.298 5.729 8 HG3 GLN 123 HG1 GLN 123 2.387 2.495 7.498 No H/Q in entry = 8 In of MODEL 9 1 HA LEU 124 HA LEU 124 0.362 2.808 3.485 2 HB2 LEU 124 HB2 LEU 124 0.723 0.633 1.415 3 HG LEU 124 HG LEU 124 2.803 1.620 2.563 4 HD11 LEU 124 HD11 LEU 124 2.492 1.857 -0.432 5 HD13 LEU 124 HD12 LEU 124 2.900 0.391 0.458 6 HD12 LEU 124 HD13 LEU 124 4.021 1.751 0.440 7 HD22 LEU 124 HD21 LEU 124 2.056 3.929 2.654 8 HD21 LEU 124 HD22 LEU 124 1.965 3.991 0.895 9 HD23 LEU 124 HD23 LEU 124 3.527 3.795 1.689 10 H LEU 124 HN LEU 124 1.470 0.258 3.751 11 HB3 LEU 124 HB1 LEU 124 0.301 2.293 1.031 No H/Q in entry = 11 In of MODEL 9 1 HA LEU 125 HA LEU 125 -3.664 0.394 2.480 2 HB2 LEU 125 HB2 LEU 125 -2.563 -1.952 3.999 3 HG LEU 125 HG LEU 125 -2.447 -1.963 1.479 4 HD13 LEU 125 HD11 LEU 125 -3.165 -4.276 1.341 5 HD12 LEU 125 HD12 LEU 125 -4.135 -4.085 2.797 6 HD11 LEU 125 HD13 LEU 125 -2.378 -3.984 2.890 7 HD22 LEU 125 HD21 LEU 125 -4.517 -2.439 0.280 8 HD21 LEU 125 HD22 LEU 125 -4.608 -0.864 1.071 9 HD23 LEU 125 HD23 LEU 125 -5.440 -2.254 1.774 10 H LEU 125 HN LEU 125 -1.065 -0.385 3.379 11 HB3 LEU 125 HB1 LEU 125 -4.291 -1.737 3.852 No H/Q in entry = 11 In of MODEL 9 1 HA THR 126 HA THR 126 -4.348 0.600 7.156 2 HB THR 126 HB THR 126 -1.437 1.147 7.777 3 HG1 THR 126 HG1 THR 126 -1.748 -1.031 7.483 4 HG22 THR 126 HG21 THR 126 -2.118 1.109 10.142 5 HG21 THR 126 HG22 THR 126 -3.808 1.015 9.643 6 HG23 THR 126 HG23 THR 126 -2.854 2.450 9.264 7 H THR 126 HN THR 126 -2.043 0.201 5.575 No H/Q in entry = 7 In of MODEL 9 1 HA ALA 127 HA ALA 127 -2.683 5.099 7.203 2 HB1 ALA 127 HB1 ALA 127 -0.460 4.783 6.252 3 HB2 ALA 127 HB2 ALA 127 -1.221 6.262 5.669 4 HB3 ALA 127 HB3 ALA 127 -1.146 4.839 4.628 5 H ALA 127 HN ALA 127 -1.819 2.766 5.946 No H/Q in entry = 5 In of MODEL 9 1 HA GLU 128 HA GLU 128 -4.779 6.046 2.981 2 HB2 GLU 128 HB2 GLU 128 -3.956 3.991 1.694 3 HG2 GLU 128 HG2 GLU 128 -5.970 3.971 0.123 4 H GLU 128 HN GLU 128 -3.349 3.858 3.932 5 HB3 GLU 128 HB1 GLU 128 -5.424 3.193 2.234 6 HG3 GLU 128 HG1 GLU 128 -6.657 5.180 1.203 No H/Q in entry = 6 In of MODEL 9 1 HA ILE 129 HA ILE 129 -8.609 3.779 4.734 2 HB ILE 129 HB ILE 129 -6.950 2.246 6.734 3 HD12 ILE 129 HD11 ILE 129 -7.827 -0.836 4.823 4 HD11 ILE 129 HD12 ILE 129 -8.593 -0.311 6.324 5 HD13 ILE 129 HD13 ILE 129 -6.838 -0.233 6.152 6 H ILE 129 HN ILE 129 -5.853 3.227 4.786 No H/Q in entry = 6 In of MODEL 9 1 HA GLU 130 HA GLU 130 -7.577 6.060 8.897 2 HB2 GLU 130 HB2 GLU 130 -4.836 6.827 7.879 3 HG2 GLU 130 HG2 GLU 130 -5.584 4.992 10.143 4 H GLU 130 HN GLU 130 -6.042 4.759 6.949 5 HB3 GLU 130 HB1 GLU 130 -5.548 7.330 9.404 6 HG3 GLU 130 HG1 GLU 130 -4.822 4.518 8.624 No H/Q in entry = 6 In of MODEL 9 1 HA LYS 131 HA LYS 131 -6.906 9.884 6.045 2 HB2 LYS 131 HB2 LYS 131 -6.726 8.185 3.549 3 HG2 LYS 131 HG2 LYS 131 -4.608 9.959 4.737 4 HD2 LYS 131 HD2 LYS 131 -4.603 7.959 2.478 5 HE2 LYS 131 HE2 LYS 131 -2.498 7.956 3.785 6 HZ1 LYS 131 HZ1 LYS 131 -2.408 10.810 2.979 7 HZ3 LYS 131 HZ2 LYS 131 -1.070 9.938 3.548 8 HZ2 LYS 131 HZ3 LYS 131 -2.405 10.200 4.559 9 H LYS 131 HN LYS 131 -6.317 7.146 5.793 10 HB3 LYS 131 HB1 LYS 131 -6.707 9.942 3.582 11 HG3 LYS 131 HG1 LYS 131 -4.653 8.206 4.936 12 HD3 LYS 131 HD1 LYS 131 -4.469 9.711 2.327 13 HE3 LYS 131 HE1 LYS 131 -2.306 8.507 2.122 No H/Q in entry = 13 In of MODEL 9 1 HA ILE 132 HA ILE 132 -10.939 8.870 3.770 2 HB ILE 132 HB ILE 132 -11.148 5.934 4.393 3 HD13 ILE 132 HD11 ILE 132 -9.737 5.030 1.009 4 HD12 ILE 132 HD12 ILE 132 -11.445 5.382 1.280 5 HD11 ILE 132 HD13 ILE 132 -10.568 4.340 2.401 6 H ILE 132 HN ILE 132 -8.758 7.238 4.541 No H/Q in entry = 6 In of MODEL 9 1 HA GLN 133 HA GLN 133 -12.925 7.247 7.727 2 HB2 GLN 133 HB2 GLN 133 -10.342 6.345 8.985 3 HG2 GLN 133 HG2 GLN 133 -12.811 4.858 8.121 4 HE21 GLN 133 HE21 GLN 133 -12.890 2.672 8.599 5 HE22 GLN 133 HE22 GLN 133 -11.967 1.969 9.877 6 H GLN 133 HN GLN 133 -10.316 6.910 6.645 7 HB3 GLN 133 HB1 GLN 133 -11.874 6.384 9.845 8 HG3 GLN 133 HG1 GLN 133 -11.195 4.733 7.426 No H/Q in entry = 8 In of MODEL 9 1 HA LYS 134 HA LYS 134 -10.977 10.668 10.213 2 HB2 LYS 134 HB2 LYS 134 -8.948 11.930 10.091 3 HG2 LYS 134 HG2 LYS 134 -8.325 10.616 7.458 4 HD2 LYS 134 HD2 LYS 134 -6.926 12.751 9.054 5 HE2 LYS 134 HE2 LYS 134 -5.257 12.703 7.253 6 HZ1 LYS 134 HZ1 LYS 134 -6.996 14.389 7.175 7 HZ3 LYS 134 HZ2 LYS 134 -7.986 13.358 6.259 8 HZ2 LYS 134 HZ3 LYS 134 -6.522 13.928 5.615 9 H LYS 134 HN LYS 134 -9.961 9.105 8.005 10 HB3 LYS 134 HB1 LYS 134 -8.522 10.245 9.825 11 HG3 LYS 134 HG1 LYS 134 -8.899 12.274 7.633 12 HD3 LYS 134 HD1 LYS 134 -6.342 11.118 8.728 13 HE3 LYS 134 HE1 LYS 134 -6.304 11.625 6.329 No H/Q in entry = 13 In of MODEL 9 1 HA3 GLY 135 HA2 GLY 135 -12.141 12.319 5.390 2 H GLY 135 HN GLY 135 -10.826 10.928 6.729 3 HA2 GLY 135 HA1 GLY 135 -12.605 13.224 6.825 No H/Q in entry = 3 In of MODEL 9 1 H1 GLY 95 HT2 GLY 95 12.734 1.357 13.355 2 H2 GLY 95 HT1 GLY 95 13.381 2.350 12.144 3 H3 GLY 95 HT3 GLY 95 14.404 1.341 13.046 4 HA2 GLY 95 HA2 GLY 95 14.597 3.625 13.793 5 HA3 GLY 95 HA1 GLY 95 13.929 2.593 15.051 No H/Q in entry = 5 In of MODEL 9 1 HA ALA 96 HA ALA 96 10.874 5.743 14.979 2 HB2 ALA 96 HB1 ALA 96 11.302 8.116 15.248 3 HB1 ALA 96 HB2 ALA 96 12.891 7.937 14.505 4 HB3 ALA 96 HB3 ALA 96 12.558 7.183 16.064 5 H ALA 96 HN ALA 96 13.686 5.551 14.310 No H/Q in entry = 5 In of MODEL 9 1 HA MET 97 HA MET 97 10.590 6.880 10.604 2 HB2 MET 97 HB2 MET 97 11.566 8.673 9.369 3 HG2 MET 97 HG2 MET 97 13.918 7.937 9.377 4 HE2 MET 97 HE1 MET 97 16.220 9.727 10.643 5 HE1 MET 97 HE2 MET 97 16.407 8.017 10.257 6 HE3 MET 97 HE3 MET 97 16.866 8.617 11.850 7 H MET 97 HN MET 97 12.992 6.629 12.287 8 HB3 MET 97 HB1 MET 97 11.711 9.094 11.068 9 HG3 MET 97 HG1 MET 97 13.719 9.645 9.757 No H/Q in entry = 9 In of MODEL 9 1 HA GLU 98 HA GLU 98 12.843 4.076 8.166 2 HB2 GLU 98 HB2 GLU 98 10.487 4.804 6.403 3 HG2 GLU 98 HG2 GLU 98 10.780 2.572 8.406 4 H GLU 98 HN GLU 98 10.817 6.142 8.465 5 HB3 GLU 98 HB1 GLU 98 11.507 3.383 6.216 6 HG3 GLU 98 HG1 GLU 98 9.758 3.995 8.586 No H/Q in entry = 6 In of MODEL 9 1 HA PRO 99 HA PRO 99 15.344 6.894 5.804 2 HB2 PRO 99 HB2 PRO 99 17.271 5.192 5.044 3 HG2 PRO 99 HG2 PRO 99 16.099 3.206 5.389 4 HD2 PRO 99 HD2 PRO 99 14.334 3.062 6.881 5 HB3 PRO 99 HB1 PRO 99 17.107 5.690 6.733 6 HG3 PRO 99 HG1 PRO 99 17.014 3.347 6.906 7 HD3 PRO 99 HD1 PRO 99 15.156 4.060 8.100 No H/Q in entry = 7 In of MODEL 9 1 HA GLU 100 HA GLU 100 13.341 6.424 2.047 2 HB2 GLU 100 HB2 GLU 100 13.749 8.803 2.152 3 HG2 GLU 100 HG2 GLU 100 14.622 7.770 -0.531 4 H GLU 100 HN GLU 100 15.167 7.572 3.810 5 HB3 GLU 100 HB1 GLU 100 15.414 8.579 1.642 6 HG3 GLU 100 HG1 GLU 100 12.958 8.059 -0.013 No H/Q in entry = 6 In of MODEL 9 1 HA ASN 101 HA ASN 101 17.137 5.360 -0.576 2 HB2 ASN 101 HB2 ASN 101 18.954 6.521 0.725 3 HD21 ASN 101 HD21 ASN 101 18.375 5.180 -1.765 4 HD22 ASN 101 HD22 ASN 101 19.871 4.497 -2.314 5 H ASN 101 HN ASN 101 16.874 6.536 1.933 6 HB3 ASN 101 HB1 ASN 101 19.137 5.040 1.660 No H/Q in entry = 6 In of MODEL 9 1 HA LYS 102 HA LYS 102 17.136 1.203 1.464 2 HB2 LYS 102 HB2 LYS 102 17.007 2.438 4.103 3 HG2 LYS 102 HG2 LYS 102 18.767 0.803 2.763 4 HD2 LYS 102 HD2 LYS 102 18.984 -1.161 4.205 5 HE2 LYS 102 HE2 LYS 102 16.216 -0.970 3.030 6 HZ1 LYS 102 HZ1 LYS 102 16.785 -2.976 4.395 7 HZ3 LYS 102 HZ2 LYS 102 17.960 -3.351 3.229 8 HZ2 LYS 102 HZ3 LYS 102 16.320 -3.290 2.792 9 H LYS 102 HN LYS 102 16.764 3.851 2.564 10 HB3 LYS 102 HB1 LYS 102 16.155 0.903 4.026 11 HG3 LYS 102 HG1 LYS 102 18.840 1.261 4.466 12 HD3 LYS 102 HD1 LYS 102 17.505 -0.694 5.052 13 HE3 LYS 102 HE1 LYS 102 17.677 -1.318 2.107 No H/Q in entry = 13 In of MODEL 9 1 HA TYR 103 HA TYR 103 12.465 1.506 2.710 2 HB2 TYR 103 HB2 TYR 103 12.427 3.856 3.396 3 HD1 TYR 103 HD1 TYR 103 10.454 5.157 0.949 4 HD2 TYR 103 HD2 TYR 103 10.399 2.051 3.849 5 HE1 TYR 103 HE1 TYR 103 8.005 5.226 0.944 6 HE2 TYR 103 HE2 TYR 103 7.942 2.100 3.864 7 HH TYR 103 HH TYR 103 6.124 4.196 1.670 8 H TYR 103 HN TYR 103 14.554 3.318 2.365 9 HB3 TYR 103 HB1 TYR 103 12.439 4.360 1.715 No H/Q in entry = 9 In of MODEL 9 1 HA LEU 104 HA LEU 104 11.599 2.358 -1.924 2 HB2 LEU 104 HB2 LEU 104 13.264 3.975 -2.545 3 HG LEU 104 HG LEU 104 13.406 1.658 -4.479 4 HD11 LEU 104 HD11 LEU 104 11.122 2.378 -4.017 5 HD13 LEU 104 HD12 LEU 104 11.611 2.817 -5.653 6 HD12 LEU 104 HD13 LEU 104 11.568 4.043 -4.388 7 HD23 LEU 104 HD21 LEU 104 13.966 3.370 -6.141 8 HD22 LEU 104 HD22 LEU 104 15.189 3.262 -4.874 9 HD21 LEU 104 HD23 LEU 104 14.021 4.584 -4.863 10 H LEU 104 HN LEU 104 13.800 2.900 -0.257 11 HB3 LEU 104 HB1 LEU 104 14.517 2.748 -2.561 No H/Q in entry = 11 In of MODEL 9 1 HA PRO 105 HA PRO 105 13.976 -1.608 -3.396 2 HB2 PRO 105 HB2 PRO 105 15.724 -2.689 -1.562 3 HG2 PRO 105 HG2 PRO 105 15.640 -0.925 -0.026 4 HD2 PRO 105 HD2 PRO 105 14.988 1.223 -0.645 5 HB3 PRO 105 HB1 PRO 105 16.224 -1.632 -2.889 6 HG3 PRO 105 HG1 PRO 105 17.018 -0.432 -1.036 7 HD3 PRO 105 HD1 PRO 105 15.730 1.088 -2.254 No H/Q in entry = 7 In of MODEL 9 1 HA GLU 106 HA GLU 106 12.317 -3.692 0.614 2 HB2 GLU 106 HB2 GLU 106 11.495 -1.008 1.709 3 HG2 GLU 106 HG2 GLU 106 13.806 -1.357 2.176 4 H GLU 106 HN GLU 106 13.290 -1.129 0.030 5 HB3 GLU 106 HB1 GLU 106 11.060 -2.557 2.412 6 HG3 GLU 106 HG1 GLU 106 12.882 -1.637 3.648 No H/Q in entry = 6 In of MODEL 9 1 HA LEU 107 HA LEU 107 8.109 -1.773 -0.705 2 HB2 LEU 107 HB2 LEU 107 9.449 0.312 -2.425 3 HG LEU 107 HG LEU 107 9.259 0.853 0.030 4 HD13 LEU 107 HD11 LEU 107 9.404 2.577 -1.689 5 HD12 LEU 107 HD12 LEU 107 8.328 3.076 -0.382 6 HD11 LEU 107 HD13 LEU 107 7.655 2.510 -1.912 7 HD22 LEU 107 HD21 LEU 107 7.180 -0.288 0.506 8 HD21 LEU 107 HD22 LEU 107 6.321 0.744 -0.638 9 HD23 LEU 107 HD23 LEU 107 7.004 1.437 0.834 10 H LEU 107 HN LEU 107 10.767 -0.804 -0.694 11 HB3 LEU 107 HB1 LEU 107 7.725 -0.007 -2.413 No H/Q in entry = 11 In of MODEL 9 1 HA MET 108 HA MET 108 9.059 -2.879 -5.256 2 HB2 MET 108 HB2 MET 108 11.056 -3.192 -6.469 3 HG2 MET 108 HG2 MET 108 12.592 -2.693 -3.940 4 HE2 MET 108 HE1 MET 108 14.416 -0.322 -6.486 5 HE1 MET 108 HE2 MET 108 13.676 -0.449 -4.890 6 HE3 MET 108 HE3 MET 108 12.673 -0.562 -6.337 7 H MET 108 HN MET 108 10.645 -1.759 -3.177 8 HB3 MET 108 HB1 MET 108 11.153 -1.653 -5.639 9 HG3 MET 108 HG1 MET 108 12.528 -4.206 -4.844 No H/Q in entry = 9 In of MODEL 9 1 HA ALA 109 HA ALA 109 10.866 -6.962 -3.781 2 HB2 ALA 109 HB1 ALA 109 11.613 -7.711 -1.550 3 HB3 ALA 109 HB2 ALA 109 11.353 -6.077 -0.932 4 HB1 ALA 109 HB3 ALA 109 12.584 -6.370 -2.160 5 H ALA 109 HN ALA 109 10.997 -4.343 -2.691 No H/Q in entry = 5 In of MODEL 9 1 HA GLU 110 HA GLU 110 7.172 -7.492 -0.851 2 HB2 GLU 110 HB2 GLU 110 6.810 -4.525 -0.377 3 HG2 GLU 110 HG2 GLU 110 7.416 -6.792 1.504 4 H GLU 110 HN GLU 110 8.944 -5.293 -1.304 5 HB3 GLU 110 HB1 GLU 110 5.650 -5.747 0.123 6 HG3 GLU 110 HG1 GLU 110 8.488 -5.461 1.074 No H/Q in entry = 6 In of MODEL 9 1 HA LYS 111 HA LYS 111 4.675 -4.919 -4.109 2 HB2 LYS 111 HB2 LYS 111 5.797 -3.019 -4.768 3 HG2 LYS 111 HG2 LYS 111 6.406 -4.785 -7.127 4 HD2 LYS 111 HD2 LYS 111 5.743 -1.851 -7.074 5 HE2 LYS 111 HE2 LYS 111 5.423 -3.159 -9.184 6 HZ3 LYS 111 HZ1 LYS 111 8.385 -3.328 -9.204 7 HZ2 LYS 111 HZ2 LYS 111 7.304 -3.944 -10.357 8 HZ1 LYS 111 HZ3 LYS 111 7.389 -4.641 -8.814 9 H LYS 111 HN LYS 111 7.218 -4.727 -2.988 10 HB3 LYS 111 HB1 LYS 111 7.299 -3.877 -5.070 11 HG3 LYS 111 HG1 LYS 111 4.844 -4.024 -6.808 12 HD3 LYS 111 HD1 LYS 111 7.400 -2.455 -7.023 13 HE3 LYS 111 HE1 LYS 111 6.574 -1.826 -9.298 No H/Q in entry = 13 In of MODEL 9 1 HA ASP 112 HA ASP 112 6.237 -7.862 -7.315 2 HB2 ASP 112 HB2 ASP 112 9.090 -7.787 -6.434 3 H ASP 112 HN ASP 112 7.670 -6.515 -5.199 4 HB3 ASP 112 HB1 ASP 112 8.551 -9.070 -7.516 No H/Q in entry = 4 In of MODEL 9 1 HA SER 113 HA SER 113 6.382 -11.369 -4.411 2 HB2 SER 113 HB2 SER 113 6.834 -9.736 -1.903 3 HG SER 113 HG SER 113 8.710 -9.663 -2.971 4 H SER 113 HN SER 113 6.579 -8.459 -4.061 5 HB3 SER 113 HB1 SER 113 6.817 -11.497 -1.988 No H/Q in entry = 5 In of MODEL 9 1 HA LEU 114 HA LEU 114 2.471 -9.854 -2.238 2 HB2 LEU 114 HB2 LEU 114 3.162 -7.358 -2.478 3 HG LEU 114 HG LEU 114 0.288 -8.225 -2.261 4 HD11 LEU 114 HD11 LEU 114 2.302 -7.128 -0.296 5 HD13 LEU 114 HD12 LEU 114 1.707 -8.787 -0.380 6 HD12 LEU 114 HD13 LEU 114 0.614 -7.479 0.077 7 HD22 LEU 114 HD21 LEU 114 -0.304 -5.975 -1.643 8 HD21 LEU 114 HD22 LEU 114 0.376 -5.983 -3.270 9 HD23 LEU 114 HD23 LEU 114 1.354 -5.437 -1.912 10 H LEU 114 HN LEU 114 4.478 -8.645 -3.913 11 HB3 LEU 114 HB1 LEU 114 2.107 -7.366 -3.876 No H/Q in entry = 11 In of MODEL 9 1 HA ASP 115 HA ASP 115 0.299 -11.665 -5.527 2 HB2 ASP 115 HB2 ASP 115 -0.550 -12.786 -3.414 3 H ASP 115 HN ASP 115 0.466 -10.587 -2.877 4 HB3 ASP 115 HB1 ASP 115 -1.878 -11.631 -3.425 No H/Q in entry = 4 In of MODEL 9 1 HA PRO 116 HA PRO 116 -1.571 -8.222 -7.540 2 HB2 PRO 116 HB2 PRO 116 -2.839 -9.599 -9.551 3 HG2 PRO 116 HG2 PRO 116 -2.511 -11.738 -8.688 4 HD2 PRO 116 HD2 PRO 116 -0.822 -12.212 -7.145 5 HB3 PRO 116 HB1 PRO 116 -1.110 -9.226 -9.541 6 HG3 PRO 116 HG1 PRO 116 -1.066 -11.560 -9.707 7 HD3 PRO 116 HD1 PRO 116 0.301 -11.045 -7.878 No H/Q in entry = 7 In of MODEL 9 1 HA SER 117 HA SER 117 -6.033 -10.005 -6.872 2 HB2 SER 117 HB2 SER 117 -5.136 -11.288 -4.282 3 HG SER 117 HG SER 117 -4.446 -12.632 -5.863 4 H SER 117 HN SER 117 -3.440 -10.826 -6.226 5 HB3 SER 117 HB1 SER 117 -6.769 -11.301 -4.948 No H/Q in entry = 5 In of MODEL 9 1 HA PHE 118 HA PHE 118 -5.776 -7.029 -3.340 2 HB2 PHE 118 HB2 PHE 118 -2.785 -7.129 -2.875 3 HD1 PHE 118 HD1 PHE 118 -2.717 -9.582 -2.945 4 HD2 PHE 118 HD2 PHE 118 -5.273 -7.479 -0.275 5 HE1 PHE 118 HE1 PHE 118 -2.988 -11.620 -1.615 6 HE2 PHE 118 HE2 PHE 118 -5.541 -9.516 1.072 7 HZ PHE 118 HZ PHE 118 -4.400 -11.593 0.407 8 H PHE 118 HN PHE 118 -3.734 -8.648 -4.675 9 HB3 PHE 118 HB1 PHE 118 -3.969 -6.302 -1.867 No H/Q in entry = 9 In of MODEL 9 1 HA THR 119 HA THR 119 -4.610 -4.525 -6.883 2 HB THR 119 HB THR 119 -7.402 -3.727 -6.071 3 HG1 THR 119 HG1 THR 119 -6.918 -5.855 -7.128 4 HG21 THR 119 HG21 THR 119 -6.246 -1.832 -7.084 5 HG23 THR 119 HG22 THR 119 -7.477 -2.470 -8.176 6 HG22 THR 119 HG23 THR 119 -5.776 -2.839 -8.458 7 H THR 119 HN THR 119 -6.378 -5.728 -5.070 No H/Q in entry = 7 In of MODEL 9 1 HA HIS 120 HA HIS 120 -5.143 -0.593 -4.377 2 HB2 HIS 120 HB2 HIS 120 -6.260 -1.817 -1.855 3 HD1 HIS 120 HD1 HIS 120 -7.428 0.495 -4.665 4 HD2 HIS 120 HD2 HIS 120 -8.799 -2.555 -2.210 5 HE1 HIS 120 HE1 HIS 120 -9.777 0.033 -5.411 6 HE2 HIS 120 HE2 HIS 120 -10.462 -2.004 -4.112 7 H HIS 120 HN HIS 120 -6.158 -3.230 -3.960 8 HB3 HIS 120 HB1 HIS 120 -6.077 -0.100 -2.186 No H/Q in entry = 8 In of MODEL 9 1 HA ALA 121 HA ALA 121 -2.087 -2.104 -0.948 2 HB2 ALA 121 HB1 ALA 121 -1.373 -4.314 -0.419 3 HB3 ALA 121 HB2 ALA 121 -2.244 -4.986 -1.796 4 HB1 ALA 121 HB3 ALA 121 -3.137 -4.320 -0.431 5 H ALA 121 HN ALA 121 -4.256 -3.290 -2.261 No H/Q in entry = 5 In of MODEL 9 1 HA MET 122 HA MET 122 0.475 -3.640 -4.627 2 HB2 MET 122 HB2 MET 122 -2.018 -4.225 -6.172 3 HG2 MET 122 HG2 MET 122 -0.602 -5.884 -4.729 4 HE3 MET 122 HE1 MET 122 1.867 -4.082 -5.856 5 HE2 MET 122 HE2 MET 122 3.137 -5.305 -5.851 6 HE1 MET 122 HE3 MET 122 1.995 -5.217 -4.511 7 H MET 122 HN MET 122 -2.297 -3.750 -4.015 8 HB3 MET 122 HB1 MET 122 -0.496 -4.017 -7.031 9 HG3 MET 122 HG1 MET 122 -1.347 -6.375 -6.245 No H/Q in entry = 9 In of MODEL 9 1 HA GLN 123 HA GLN 123 -0.837 0.180 -7.055 2 HB2 GLN 123 HB2 GLN 123 -3.187 0.359 -7.297 3 HG2 GLN 123 HG2 GLN 123 -2.365 2.676 -5.564 4 HE21 GLN 123 HE21 GLN 123 -4.952 1.225 -7.417 5 HE22 GLN 123 HE22 GLN 123 -6.146 2.431 -7.046 6 H GLN 123 HN GLN 123 -2.280 -1.544 -5.327 7 HB3 GLN 123 HB1 GLN 123 -3.448 0.421 -5.559 8 HG3 GLN 123 HG1 GLN 123 -2.361 2.604 -7.319 No H/Q in entry = 8 In of MODEL 9 1 HA LEU 124 HA LEU 124 -0.341 2.850 -3.304 2 HB2 LEU 124 HB2 LEU 124 -0.744 0.671 -1.247 3 HG LEU 124 HG LEU 124 -2.802 1.709 -2.384 4 HD11 LEU 124 HD11 LEU 124 -2.485 1.914 0.612 5 HD13 LEU 124 HD12 LEU 124 -2.921 0.464 -0.295 6 HD12 LEU 124 HD13 LEU 124 -4.015 1.844 -0.263 7 HD22 LEU 124 HD21 LEU 124 -2.008 4.000 -2.465 8 HD21 LEU 124 HD22 LEU 124 -1.916 4.054 -0.705 9 HD23 LEU 124 HD23 LEU 124 -3.482 3.896 -1.500 10 H LEU 124 HN LEU 124 -1.490 0.318 -3.582 11 HB3 LEU 124 HB1 LEU 124 -0.285 2.319 -0.851 No H/Q in entry = 11 In of MODEL 9 1 HA LEU 125 HA LEU 125 3.645 0.352 -2.313 2 HB2 LEU 125 HB2 LEU 125 2.495 -1.962 -3.845 3 HG LEU 125 HG LEU 125 2.383 -1.990 -1.326 4 HD13 LEU 125 HD11 LEU 125 3.057 -4.314 -1.205 5 HD12 LEU 125 HD12 LEU 125 4.029 -4.131 -2.659 6 HD11 LEU 125 HD13 LEU 125 2.275 -3.995 -2.753 7 HD22 LEU 125 HD21 LEU 125 4.442 -2.508 -0.127 8 HD21 LEU 125 HD22 LEU 125 4.564 -0.930 -0.909 9 HD23 LEU 125 HD23 LEU 125 5.369 -2.332 -1.619 10 H LEU 125 HN LEU 125 1.029 -0.369 -3.212 11 HB3 LEU 125 HB1 LEU 125 4.229 -1.782 -3.700 No H/Q in entry = 11 In of MODEL 9 1 HA THR 126 HA THR 126 4.329 0.578 -6.985 2 HB THR 126 HB THR 126 1.429 1.188 -7.605 3 HG1 THR 126 HG1 THR 126 1.692 -0.999 -7.339 4 HG22 THR 126 HG21 THR 126 2.106 1.151 -9.969 5 HG21 THR 126 HG22 THR 126 3.795 1.029 -9.478 6 HG23 THR 126 HG23 THR 126 2.865 2.476 -9.084 7 H THR 126 HN THR 126 2.018 0.208 -5.412 No H/Q in entry = 7 In of MODEL 9 1 HA ALA 127 HA ALA 127 2.754 5.112 -7.010 2 HB3 ALA 127 HB1 ALA 127 0.525 4.833 -6.055 3 HB2 ALA 127 HB2 ALA 127 1.315 6.294 -5.460 4 HB1 ALA 127 HB3 ALA 127 1.217 4.864 -4.434 5 H ALA 127 HN ALA 127 1.844 2.790 -5.763 No H/Q in entry = 5 In of MODEL 9 1 HA GLU 128 HA GLU 128 4.866 5.985 -2.779 2 HB2 GLU 128 HB2 GLU 128 4.003 3.937 -1.507 3 HG2 GLU 128 HG2 GLU 128 6.017 3.868 0.065 4 H GLU 128 HN GLU 128 3.402 3.830 -3.754 5 HB3 GLU 128 HB1 GLU 128 5.457 3.117 -2.051 6 HG3 GLU 128 HG1 GLU 128 6.724 5.078 -1.001 No H/Q in entry = 6 In of MODEL 9 1 HA ILE 129 HA ILE 129 8.652 3.660 -4.549 2 HB ILE 129 HB ILE 129 6.966 2.169 -6.558 3 HD12 ILE 129 HD11 ILE 129 7.779 -0.942 -4.667 4 HD11 ILE 129 HD12 ILE 129 8.556 -0.418 -6.163 5 HD13 ILE 129 HD13 ILE 129 6.803 -0.306 -5.993 6 H ILE 129 HN ILE 129 5.885 3.161 -4.606 No H/Q in entry = 6 In of MODEL 9 1 HA GLU 130 HA GLU 130 7.658 5.990 -8.699 2 HB2 GLU 130 HB2 GLU 130 4.930 6.795 -7.677 3 HG2 GLU 130 HG2 GLU 130 5.652 4.972 -9.957 4 H GLU 130 HN GLU 130 6.101 4.702 -6.762 5 HB3 GLU 130 HB1 GLU 130 5.648 7.303 -9.195 6 HG3 GLU 130 HG1 GLU 130 4.891 4.493 -8.441 No H/Q in entry = 6 In of MODEL 9 1 HA LYS 131 HA LYS 131 7.066 9.803 -5.813 2 HB2 LYS 131 HB2 LYS 131 6.862 8.092 -3.328 3 HG2 LYS 131 HG2 LYS 131 4.771 9.911 -4.500 4 HD2 LYS 131 HD2 LYS 131 4.737 7.887 -2.264 5 HE2 LYS 131 HE2 LYS 131 2.625 7.943 -3.563 6 HZ1 LYS 131 HZ1 LYS 131 2.587 10.790 -2.724 7 HZ3 LYS 131 HZ2 LYS 131 1.250 9.947 -3.323 8 HZ2 LYS 131 HZ3 LYS 131 2.597 10.200 -4.316 9 H LYS 131 HN LYS 131 6.417 7.078 -5.589 10 HB3 LYS 131 HB1 LYS 131 6.873 9.850 -3.353 11 HG3 LYS 131 HG1 LYS 131 4.790 8.158 -4.716 12 HD3 LYS 131 HD1 LYS 131 4.636 9.638 -2.090 13 HE3 LYS 131 HE1 LYS 131 2.450 8.484 -1.895 No H/Q in entry = 13 In of MODEL 9 1 HA ILE 132 HA ILE 132 11.072 8.697 -3.542 2 HB ILE 132 HB ILE 132 11.227 5.765 -4.191 3 HD12 ILE 132 HD11 ILE 132 9.809 4.864 -0.807 4 HD11 ILE 132 HD12 ILE 132 11.521 5.185 -1.083 5 HD13 ILE 132 HD13 ILE 132 10.621 4.168 -2.209 6 H ILE 132 HN ILE 132 8.865 7.113 -4.326 No H/Q in entry = 6 In of MODEL 9 1 HA GLN 133 HA GLN 133 13.035 7.064 -7.514 2 HB2 GLN 133 HB2 GLN 133 10.433 6.223 -8.775 3 HG2 GLN 133 HG2 GLN 133 12.871 4.688 -7.922 4 HE21 GLN 133 HE21 GLN 133 12.907 2.494 -8.415 5 HE22 GLN 133 HE22 GLN 133 11.975 1.824 -9.706 6 H GLN 133 HN GLN 133 10.418 6.771 -6.433 7 HB3 GLN 133 HB1 GLN 133 11.963 6.238 -9.639 8 HG3 GLN 133 HG1 GLN 133 11.253 4.587 -7.231 No H/Q in entry = 8 In of MODEL 9 1 HA LYS 134 HA LYS 134 11.151 10.532 -9.973 2 HB2 LYS 134 HB2 LYS 134 9.152 11.832 -9.847 3 HG2 LYS 134 HG2 LYS 134 8.494 10.518 -7.223 4 HD2 LYS 134 HD2 LYS 134 7.144 12.693 -8.808 5 HE2 LYS 134 HE2 LYS 134 5.469 12.665 -7.008 6 HZ1 LYS 134 HZ1 LYS 134 7.235 14.322 -6.926 7 HZ3 LYS 134 HZ2 LYS 134 8.210 13.272 -6.020 8 HZ2 LYS 134 HZ3 LYS 134 6.763 13.862 -5.369 9 H LYS 134 HN LYS 134 10.109 8.981 -7.765 10 HB3 LYS 134 HB1 LYS 134 8.690 10.155 -9.594 11 HG3 LYS 134 HG1 LYS 134 9.105 12.164 -7.391 12 HD3 LYS 134 HD1 LYS 134 6.519 11.072 -8.494 13 HE3 LYS 134 HE1 LYS 134 6.498 11.568 -6.086 No H/Q in entry = 13 In of MODEL 9 1 HA3 GLY 135 HA2 GLY 135 12.355 12.136 -5.138 2 H GLY 135 HN GLY 135 11.002 10.781 -6.483 3 HA2 GLY 135 HA1 GLY 135 12.833 13.045 -6.569 No H/Q in entry = 3 In of MODEL 10 1 H1 GLY 95 HT1 GLY 95 -7.104 5.118 -7.490 2 H2 GLY 95 HT3 GLY 95 -8.525 4.218 -7.253 3 H3 GLY 95 HT2 GLY 95 -7.275 3.588 -8.200 4 HA3 GLY 95 HA1 GLY 95 -7.599 5.242 -9.878 5 HA2 GLY 95 HA2 GLY 95 -9.107 4.396 -9.561 No H/Q in entry = 5 In of MODEL 10 1 HA ALA 96 HA ALA 96 -9.308 8.990 -8.726 2 HB3 ALA 96 HB1 ALA 96 -9.524 9.180 -11.726 3 HB2 ALA 96 HB2 ALA 96 -8.070 9.500 -10.781 4 HB1 ALA 96 HB3 ALA 96 -9.490 10.527 -10.587 5 H ALA 96 HN ALA 96 -8.756 7.001 -10.726 No H/Q in entry = 5 In of MODEL 10 1 HA MET 97 HA MET 97 -13.624 8.489 -10.209 2 HB2 MET 97 HB2 MET 97 -13.033 7.549 -12.489 3 HG2 MET 97 HG2 MET 97 -15.701 6.797 -11.318 4 HE3 MET 97 HE1 MET 97 -14.791 8.532 -14.714 5 HE2 MET 97 HE2 MET 97 -14.740 7.155 -15.817 6 HE1 MET 97 HE3 MET 97 -13.518 7.321 -14.558 7 H MET 97 HN MET 97 -11.230 6.831 -10.615 8 HB3 MET 97 HB1 MET 97 -13.426 5.965 -11.847 9 HG3 MET 97 HG1 MET 97 -15.289 8.314 -12.117 No H/Q in entry = 9 In of MODEL 10 1 HA GLU 98 HA GLU 98 -14.234 4.724 -7.621 2 HB2 GLU 98 HB2 GLU 98 -11.549 5.199 -6.324 3 HG2 GLU 98 HG2 GLU 98 -12.504 2.962 -8.088 4 H GLU 98 HN GLU 98 -12.070 6.512 -8.363 5 HB3 GLU 98 HB1 GLU 98 -12.705 3.972 -5.832 6 HG3 GLU 98 HG1 GLU 98 -11.228 4.127 -8.444 No H/Q in entry = 6 In of MODEL 10 1 HA PRO 99 HA PRO 99 -15.849 7.725 -4.718 2 HB2 PRO 99 HB2 PRO 99 -17.817 6.151 -3.730 3 HG2 PRO 99 HG2 PRO 99 -17.227 4.115 -4.666 4 HD2 PRO 99 HD2 PRO 99 -15.674 3.981 -6.352 5 HB3 PRO 99 HB1 PRO 99 -17.940 6.948 -5.301 6 HG3 PRO 99 HG1 PRO 99 -18.263 4.751 -5.959 7 HD3 PRO 99 HD1 PRO 99 -16.476 5.237 -7.315 No H/Q in entry = 7 In of MODEL 10 1 HA GLU 100 HA GLU 100 -13.380 6.410 -1.390 2 HB2 GLU 100 HB2 GLU 100 -14.868 8.810 -0.311 3 HG2 GLU 100 HG2 GLU 100 -12.124 8.615 -1.535 4 H GLU 100 HN GLU 100 -15.122 8.129 -2.750 5 HB3 GLU 100 HB1 GLU 100 -13.466 8.055 0.438 6 HG3 GLU 100 HG1 GLU 100 -13.530 9.399 -2.256 No H/Q in entry = 6 In of MODEL 10 1 HA ASN 101 HA ASN 101 -17.234 5.553 1.322 2 HB2 ASN 101 HB2 ASN 101 -18.977 6.846 0.092 3 HD21 ASN 101 HD21 ASN 101 -18.576 5.172 2.407 4 HD22 ASN 101 HD22 ASN 101 -20.084 4.405 2.751 5 H ASN 101 HN ASN 101 -16.823 6.927 -1.054 6 HB3 ASN 101 HB1 ASN 101 -19.103 5.509 -1.047 No H/Q in entry = 6 In of MODEL 10 1 HA LYS 102 HA LYS 102 -17.185 1.544 -0.926 2 HB2 LYS 102 HB2 LYS 102 -17.944 2.549 -3.254 3 HG2 LYS 102 HG2 LYS 102 -16.838 -0.203 -2.814 4 HD2 LYS 102 HD2 LYS 102 -18.461 -0.605 -4.875 5 HE2 LYS 102 HE2 LYS 102 -16.430 -0.453 -6.367 6 HZ1 LYS 102 HZ1 LYS 102 -16.321 -1.871 -3.771 7 HZ3 LYS 102 HZ2 LYS 102 -15.122 -2.077 -4.945 8 HZ2 LYS 102 HZ3 LYS 102 -16.728 -2.497 -5.292 9 H LYS 102 HN LYS 102 -16.820 4.240 -1.950 10 HB3 LYS 102 HB1 LYS 102 -16.305 2.112 -3.723 11 HG3 LYS 102 HG1 LYS 102 -18.522 0.318 -2.793 12 HD3 LYS 102 HD1 LYS 102 -17.929 1.028 -5.285 13 HE3 LYS 102 HE1 LYS 102 -15.565 0.210 -4.980 No H/Q in entry = 13 In of MODEL 10 1 HA TYR 103 HA TYR 103 -12.597 1.888 -2.411 2 HB2 TYR 103 HB2 TYR 103 -12.577 4.227 -3.106 3 HD1 TYR 103 HD1 TYR 103 -10.521 5.425 -0.596 4 HD2 TYR 103 HD2 TYR 103 -10.560 2.554 -3.732 5 HE1 TYR 103 HE1 TYR 103 -8.069 5.489 -0.660 6 HE2 TYR 103 HE2 TYR 103 -8.102 2.605 -3.811 7 HH TYR 103 HH TYR 103 -6.203 4.270 -1.423 8 H TYR 103 HN TYR 103 -14.674 3.699 -1.956 9 HB3 TYR 103 HB1 TYR 103 -12.541 4.746 -1.429 No H/Q in entry = 9 In of MODEL 10 1 HA LEU 104 HA LEU 104 -11.648 2.670 2.218 2 HB2 LEU 104 HB2 LEU 104 -13.357 4.254 2.861 3 HG LEU 104 HG LEU 104 -13.468 1.954 4.815 4 HD12 LEU 104 HD11 LEU 104 -11.655 3.144 5.970 5 HD11 LEU 104 HD12 LEU 104 -11.567 4.286 4.627 6 HD13 LEU 104 HD13 LEU 104 -11.176 2.584 4.367 7 HD23 LEU 104 HD21 LEU 104 -13.943 4.902 5.245 8 HD22 LEU 104 HD22 LEU 104 -14.056 3.623 6.455 9 HD21 LEU 104 HD23 LEU 104 -15.212 3.682 5.122 10 H LEU 104 HN LEU 104 -13.881 3.190 0.578 11 HB3 LEU 104 HB1 LEU 104 -14.570 2.990 2.889 No H/Q in entry = 11 In of MODEL 10 1 HA PRO 105 HA PRO 105 -13.916 -1.394 3.565 2 HB2 PRO 105 HB2 PRO 105 -15.727 -2.439 1.794 3 HG2 PRO 105 HG2 PRO 105 -15.694 -0.660 0.284 4 HD2 PRO 105 HD2 PRO 105 -15.028 1.487 0.908 5 HB3 PRO 105 HB1 PRO 105 -16.176 -1.399 3.154 6 HG3 PRO 105 HG1 PRO 105 -17.045 -0.188 1.340 7 HD3 PRO 105 HD1 PRO 105 -15.734 1.339 2.532 No H/Q in entry = 7 In of MODEL 10 1 HA GLU 106 HA GLU 106 -12.366 -3.345 -0.591 2 HB2 GLU 106 HB2 GLU 106 -11.305 -0.663 -1.505 3 HG2 GLU 106 HG2 GLU 106 -13.733 -0.855 -1.871 4 H GLU 106 HN GLU 106 -13.288 -0.793 0.126 5 HB3 GLU 106 HB1 GLU 106 -11.082 -2.195 -2.325 6 HG3 GLU 106 HG1 GLU 106 -12.794 -0.755 -3.356 No H/Q in entry = 6 In of MODEL 10 1 HA LEU 107 HA LEU 107 -8.116 -1.592 0.849 2 HB2 LEU 107 HB2 LEU 107 -9.431 0.477 2.605 3 HG LEU 107 HG LEU 107 -9.249 1.098 0.178 4 HD13 LEU 107 HD11 LEU 107 -8.293 3.293 0.660 5 HD12 LEU 107 HD12 LEU 107 -7.588 2.666 2.150 6 HD11 LEU 107 HD13 LEU 107 -9.341 2.756 1.973 7 HD21 LEU 107 HD21 LEU 107 -6.301 0.926 0.805 8 HD23 LEU 107 HD22 LEU 107 -6.999 1.657 -0.642 9 HD22 LEU 107 HD23 LEU 107 -7.190 -0.071 -0.350 10 H LEU 107 HN LEU 107 -10.741 -0.552 0.818 11 HB3 LEU 107 HB1 LEU 107 -7.712 0.141 2.585 No H/Q in entry = 11 In of MODEL 10 1 HA MET 108 HA MET 108 -9.200 -2.721 5.382 2 HB2 MET 108 HB2 MET 108 -11.240 -3.045 6.524 3 HG2 MET 108 HG2 MET 108 -12.655 -2.732 3.895 4 HE3 MET 108 HE1 MET 108 -13.864 -4.403 7.213 5 HE2 MET 108 HE2 MET 108 -14.703 -3.071 8.011 6 HE1 MET 108 HE3 MET 108 -12.952 -3.017 7.805 7 H MET 108 HN MET 108 -10.700 -1.563 3.279 8 HB3 MET 108 HB1 MET 108 -11.376 -1.528 5.648 9 HG3 MET 108 HG1 MET 108 -12.610 -4.169 4.912 No H/Q in entry = 9 In of MODEL 10 1 HA ALA 109 HA ALA 109 -10.975 -6.791 3.791 2 HB3 ALA 109 HB1 ALA 109 -11.678 -7.477 1.500 3 HB2 ALA 109 HB2 ALA 109 -11.452 -5.806 0.970 4 HB1 ALA 109 HB3 ALA 109 -12.676 -6.192 2.179 5 H ALA 109 HN ALA 109 -11.065 -4.153 2.744 No H/Q in entry = 5 In of MODEL 10 1 HA GLU 110 HA GLU 110 -7.253 -7.293 0.862 2 HB2 GLU 110 HB2 GLU 110 -6.703 -4.325 0.626 3 HG2 GLU 110 HG2 GLU 110 -7.513 -6.152 -1.611 4 H GLU 110 HN GLU 110 -9.010 -5.098 1.375 5 HB3 GLU 110 HB1 GLU 110 -5.769 -5.615 -0.123 6 HG3 GLU 110 HG1 GLU 110 -8.681 -5.195 -0.702 No H/Q in entry = 6 In of MODEL 10 1 HA LYS 111 HA LYS 111 -4.741 -4.891 4.222 2 HB2 LYS 111 HB2 LYS 111 -5.816 -2.937 4.837 3 HG2 LYS 111 HG2 LYS 111 -6.260 -4.749 7.198 4 HD2 LYS 111 HD2 LYS 111 -6.015 -1.752 7.171 5 HE2 LYS 111 HE2 LYS 111 -5.383 -2.664 9.273 6 HZ3 LYS 111 HZ1 LYS 111 -7.049 -4.065 10.508 7 HZ2 LYS 111 HZ2 LYS 111 -6.200 -4.845 9.268 8 HZ1 LYS 111 HZ3 LYS 111 -7.804 -4.360 9.016 9 H LYS 111 HN LYS 111 -7.265 -4.574 3.075 10 HB3 LYS 111 HB1 LYS 111 -7.330 -3.755 5.193 11 HG3 LYS 111 HG1 LYS 111 -4.822 -3.778 6.859 12 HD3 LYS 111 HD1 LYS 111 -7.562 -2.594 7.197 13 HE3 LYS 111 HE1 LYS 111 -7.010 -2.003 9.437 No H/Q in entry = 13 In of MODEL 10 1 HA ASP 112 HA ASP 112 -6.519 -7.659 7.468 2 HB2 ASP 112 HB2 ASP 112 -9.318 -7.423 6.494 3 H ASP 112 HN ASP 112 -7.828 -6.300 5.297 4 HB3 ASP 112 HB1 ASP 112 -8.919 -8.774 7.551 No H/Q in entry = 4 In of MODEL 10 1 HA SER 113 HA SER 113 -6.653 -11.251 4.692 2 HB2 SER 113 HB2 SER 113 -7.093 -9.748 2.104 3 HG SER 113 HG SER 113 -8.973 -9.586 3.134 4 H SER 113 HN SER 113 -6.813 -8.357 4.217 5 HB3 SER 113 HB1 SER 113 -7.104 -11.498 2.291 No H/Q in entry = 5 In of MODEL 10 1 HA LEU 114 HA LEU 114 -2.740 -9.867 2.428 2 HB2 LEU 114 HB2 LEU 114 -3.384 -7.369 2.517 3 HG LEU 114 HG LEU 114 -0.519 -8.280 2.429 4 HD12 LEU 114 HD11 LEU 114 -0.745 -7.659 0.065 5 HD11 LEU 114 HD12 LEU 114 -2.418 -7.184 0.356 6 HD13 LEU 114 HD13 LEU 114 -1.934 -8.871 0.542 7 HD21 LEU 114 HD21 LEU 114 -0.599 -5.992 3.362 8 HD23 LEU 114 HD22 LEU 114 -1.492 -5.475 1.933 9 HD22 LEU 114 HD23 LEU 114 0.159 -6.072 1.773 10 H LEU 114 HN LEU 114 -4.727 -8.565 4.053 11 HB3 LEU 114 HB1 LEU 114 -2.376 -7.300 3.949 No H/Q in entry = 11 In of MODEL 10 1 HA ASP 115 HA ASP 115 -0.563 -11.466 5.808 2 HB2 ASP 115 HB2 ASP 115 0.185 -12.826 3.820 3 H ASP 115 HN ASP 115 -0.711 -10.556 3.082 4 HB3 ASP 115 HB1 ASP 115 1.547 -11.724 3.660 No H/Q in entry = 4 In of MODEL 10 1 HA PRO 116 HA PRO 116 1.500 -7.974 7.509 2 HB2 PRO 116 HB2 PRO 116 2.716 -9.233 9.613 3 HG2 PRO 116 HG2 PRO 116 2.288 -11.420 8.939 4 HD2 PRO 116 HD2 PRO 116 0.576 -11.946 7.440 5 HB3 PRO 116 HB1 PRO 116 1.006 -8.788 9.580 6 HG3 PRO 116 HG1 PRO 116 0.858 -11.091 9.941 7 HD3 PRO 116 HD1 PRO 116 -0.498 -10.683 8.080 No H/Q in entry = 7 In of MODEL 10 1 HA SER 117 HA SER 117 5.872 -9.959 7.004 2 HB2 SER 117 HB2 SER 117 4.976 -11.484 4.546 3 HG SER 117 HG SER 117 4.234 -12.661 6.223 4 H SER 117 HN SER 117 3.243 -10.741 6.348 5 HB3 SER 117 HB1 SER 117 6.599 -11.469 5.240 No H/Q in entry = 5 In of MODEL 10 1 HA PHE 118 HA PHE 118 5.659 -7.147 3.371 2 HB2 PHE 118 HB2 PHE 118 2.671 -7.237 2.890 3 HD1 PHE 118 HD1 PHE 118 2.546 -9.681 2.934 4 HD2 PHE 118 HD2 PHE 118 5.185 -7.614 0.314 5 HE1 PHE 118 HE1 PHE 118 2.801 -11.716 1.596 6 HE2 PHE 118 HE2 PHE 118 5.434 -9.646 -1.041 7 HZ PHE 118 HZ PHE 118 4.242 -11.706 -0.408 8 H PHE 118 HN PHE 118 3.617 -8.765 4.699 9 HB3 PHE 118 HB1 PHE 118 3.866 -6.420 1.888 No H/Q in entry = 9 In of MODEL 10 1 HA THR 119 HA THR 119 4.472 -4.773 6.998 2 HB THR 119 HB THR 119 7.214 -3.807 6.194 3 HG1 THR 119 HG1 THR 119 6.287 -5.945 7.668 4 HG23 THR 119 HG21 THR 119 5.992 -2.104 7.440 5 HG22 THR 119 HG22 THR 119 7.280 -2.794 8.430 6 HG21 THR 119 HG23 THR 119 5.605 -3.282 8.694 7 H THR 119 HN THR 119 6.227 -5.910 5.169 No H/Q in entry = 7 In of MODEL 10 1 HA HIS 120 HA HIS 120 4.761 -0.717 4.730 2 HB2 HIS 120 HB2 HIS 120 6.214 -1.672 2.267 3 HD1 HIS 120 HD1 HIS 120 6.625 0.847 5.107 4 HD2 HIS 120 HD2 HIS 120 8.809 -1.894 2.871 5 HE1 HIS 120 HE1 HIS 120 8.961 0.917 6.031 6 HE2 HIS 120 HE2 HIS 120 10.190 -0.911 4.831 7 H HIS 120 HN HIS 120 6.037 -3.215 4.175 8 HB3 HIS 120 HB1 HIS 120 5.672 -0.021 2.529 No H/Q in entry = 8 In of MODEL 10 1 HA ALA 121 HA ALA 121 1.963 -2.238 1.111 2 HB1 ALA 121 HB1 ALA 121 1.346 -4.446 0.505 3 HB3 ALA 121 HB2 ALA 121 2.145 -5.126 1.923 4 HB2 ALA 121 HB3 ALA 121 3.105 -4.422 0.622 5 H ALA 121 HN ALA 121 4.105 -3.374 2.509 No H/Q in entry = 5 In of MODEL 10 1 HA MET 122 HA MET 122 -0.698 -3.858 4.704 2 HB2 MET 122 HB2 MET 122 1.784 -4.423 6.282 3 HG2 MET 122 HG2 MET 122 0.403 -6.093 4.803 4 HE3 MET 122 HE1 MET 122 -2.020 -4.287 6.038 5 HE2 MET 122 HE2 MET 122 -3.321 -5.477 6.025 6 HE1 MET 122 HE3 MET 122 -2.214 -5.366 4.657 7 H MET 122 HN MET 122 2.092 -3.947 4.143 8 HB3 MET 122 HB1 MET 122 0.247 -4.248 7.117 9 HG3 MET 122 HG1 MET 122 1.155 -6.584 6.320 No H/Q in entry = 9 In of MODEL 10 1 HA GLN 123 HA GLN 123 0.680 -0.147 7.279 2 HB2 GLN 123 HB2 GLN 123 2.985 -0.218 7.605 3 HG2 GLN 123 HG2 GLN 123 2.750 2.211 5.855 4 HE21 GLN 123 HE21 GLN 123 4.187 1.812 9.002 5 HE22 GLN 123 HE22 GLN 123 5.826 2.068 8.512 6 H GLN 123 HN GLN 123 2.052 -1.852 5.492 7 HB3 GLN 123 HB1 GLN 123 3.330 -0.167 5.888 8 HG3 GLN 123 HG1 GLN 123 2.447 2.147 7.590 No H/Q in entry = 8 In of MODEL 10 1 HA LEU 124 HA LEU 124 0.359 2.731 3.648 2 HB2 LEU 124 HB2 LEU 124 0.723 0.628 1.507 3 HG LEU 124 HG LEU 124 2.807 1.552 2.629 4 HD13 LEU 124 HD11 LEU 124 2.874 0.529 0.420 5 HD12 LEU 124 HD12 LEU 124 3.975 1.903 0.503 6 HD11 LEU 124 HD13 LEU 124 2.422 2.065 -0.321 7 HD21 LEU 124 HD21 LEU 124 2.016 3.833 2.953 8 HD23 LEU 124 HD22 LEU 124 1.927 4.061 1.207 9 HD22 LEU 124 HD23 LEU 124 3.489 3.807 1.984 10 H LEU 124 HN LEU 124 1.437 0.157 3.826 11 HB3 LEU 124 HB1 LEU 124 0.276 2.291 1.171 No H/Q in entry = 11 In of MODEL 10 1 HA LEU 125 HA LEU 125 -3.686 0.392 2.537 2 HB2 LEU 125 HB2 LEU 125 -2.628 -2.003 4.017 3 HG LEU 125 HG LEU 125 -2.464 -1.964 1.508 4 HD13 LEU 125 HD11 LEU 125 -3.272 -4.244 1.274 5 HD12 LEU 125 HD12 LEU 125 -4.231 -4.073 2.737 6 HD11 LEU 125 HD13 LEU 125 -2.470 -4.032 2.826 7 HD21 LEU 125 HD21 LEU 125 -4.578 -0.791 1.070 8 HD23 LEU 125 HD22 LEU 125 -5.470 -2.172 1.715 9 HD22 LEU 125 HD23 LEU 125 -4.512 -2.349 0.243 10 H LEU 125 HN LEU 125 -1.103 -0.446 3.414 11 HB3 LEU 125 HB1 LEU 125 -4.355 -1.764 3.852 No H/Q in entry = 11 In of MODEL 10 1 HA THR 126 HA THR 126 -4.331 0.511 7.247 2 HB THR 126 HB THR 126 -1.408 1.048 7.809 3 HG1 THR 126 HG1 THR 126 -1.887 -1.146 7.396 4 HG21 THR 126 HG21 THR 126 -3.748 0.894 9.711 5 HG23 THR 126 HG22 THR 126 -2.775 2.321 9.351 6 HG22 THR 126 HG23 THR 126 -2.049 0.949 10.190 7 H THR 126 HN THR 126 -2.073 0.076 5.628 No H/Q in entry = 7 In of MODEL 10 1 HA ALA 127 HA ALA 127 -2.656 5.006 7.274 2 HB1 ALA 127 HB1 ALA 127 -0.427 4.691 6.349 3 HB2 ALA 127 HB2 ALA 127 -1.183 6.162 5.732 4 HB3 ALA 127 HB3 ALA 127 -1.094 4.722 4.716 5 H ALA 127 HN ALA 127 -1.806 2.668 6.011 No H/Q in entry = 5 In of MODEL 10 1 HA GLU 128 HA GLU 128 -4.741 6.001 3.071 2 HB2 GLU 128 HB2 GLU 128 -3.907 4.010 1.713 3 HG2 GLU 128 HG2 GLU 128 -5.919 4.026 0.152 4 H GLU 128 HN GLU 128 -3.307 3.790 3.979 5 HB3 GLU 128 HB1 GLU 128 -5.356 3.168 2.240 6 HG3 GLU 128 HG1 GLU 128 -6.644 5.152 1.295 No H/Q in entry = 6 In of MODEL 10 1 HA ILE 129 HA ILE 129 -8.545 3.699 4.773 2 HB ILE 129 HB ILE 129 -6.893 2.092 6.719 3 HD12 ILE 129 HD11 ILE 129 -8.547 -0.442 6.271 4 HD11 ILE 129 HD12 ILE 129 -6.795 -0.345 6.091 5 HD13 ILE 129 HD13 ILE 129 -7.788 -0.936 4.758 6 H ILE 129 HN ILE 129 -5.793 3.125 4.800 No H/Q in entry = 6 In of MODEL 10 1 HA GLU 130 HA GLU 130 -7.478 5.901 8.936 2 HB2 GLU 130 HB2 GLU 130 -4.659 6.403 7.989 3 HG2 GLU 130 HG2 GLU 130 -5.820 4.881 10.295 4 H GLU 130 HN GLU 130 -5.955 4.550 7.019 5 HB3 GLU 130 HB1 GLU 130 -5.389 7.212 9.369 6 HG3 GLU 130 HG1 GLU 130 -4.706 4.312 9.053 No H/Q in entry = 6 In of MODEL 10 1 HA LYS 131 HA LYS 131 -6.552 9.712 6.122 2 HB2 LYS 131 HB2 LYS 131 -5.153 8.686 4.358 3 HG2 LYS 131 HG2 LYS 131 -7.373 10.443 3.342 4 HD2 LYS 131 HD2 LYS 131 -6.310 9.219 1.495 5 HE2 LYS 131 HE2 LYS 131 -4.132 8.805 2.530 6 HZ2 LYS 131 HZ1 LYS 131 -3.737 10.913 3.589 7 HZ1 LYS 131 HZ2 LYS 131 -3.667 11.705 2.090 8 HZ3 LYS 131 HZ3 LYS 131 -2.475 10.575 2.512 9 H LYS 131 HN LYS 131 -6.093 6.976 5.854 10 HB3 LYS 131 HB1 LYS 131 -6.607 8.072 3.583 11 HG3 LYS 131 HG1 LYS 131 -5.779 10.945 3.908 12 HD3 LYS 131 HD1 LYS 131 -5.956 10.947 1.450 13 HE3 LYS 131 HE1 LYS 131 -3.983 9.572 0.951 No H/Q in entry = 13 In of MODEL 10 1 HA ILE 132 HA ILE 132 -10.717 8.962 3.982 2 HB ILE 132 HB ILE 132 -11.059 6.026 4.561 3 HD12 ILE 132 HD11 ILE 132 -11.428 5.490 1.445 4 HD11 ILE 132 HD12 ILE 132 -10.591 4.427 2.576 5 HD13 ILE 132 HD13 ILE 132 -9.739 5.062 1.167 6 H ILE 132 HN ILE 132 -8.605 7.207 4.668 No H/Q in entry = 6 In of MODEL 10 1 HA GLN 133 HA GLN 133 -12.632 7.396 7.980 2 HB2 GLN 133 HB2 GLN 133 -10.100 6.134 8.982 3 HG2 GLN 133 HG2 GLN 133 -12.854 5.114 8.357 4 HE21 GLN 133 HE21 GLN 133 -11.680 2.510 7.970 5 HE22 GLN 133 HE22 GLN 133 -11.475 1.815 9.540 6 H GLN 133 HN GLN 133 -10.073 6.940 6.797 7 HB3 GLN 133 HB1 GLN 133 -11.480 6.381 10.043 8 HG3 GLN 133 HG1 GLN 133 -11.335 4.690 7.565 No H/Q in entry = 8 In of MODEL 10 1 HA LYS 134 HA LYS 134 -10.116 10.547 10.525 2 HB2 LYS 134 HB2 LYS 134 -8.404 11.363 8.167 3 HG2 LYS 134 HG2 LYS 134 -7.451 9.403 9.094 4 HD2 LYS 134 HD2 LYS 134 -7.613 10.759 11.772 5 HE2 LYS 134 HE2 LYS 134 -6.646 8.018 10.948 6 HZ1 LYS 134 HZ1 LYS 134 -6.782 9.261 13.639 7 HZ3 LYS 134 HZ2 LYS 134 -6.039 7.783 13.282 8 HZ2 LYS 134 HZ3 LYS 134 -7.716 7.956 13.099 9 H LYS 134 HN LYS 134 -9.576 9.081 8.135 10 HB3 LYS 134 HB1 LYS 134 -8.429 12.161 9.731 11 HG3 LYS 134 HG1 LYS 134 -6.503 10.793 9.621 12 HD3 LYS 134 HD1 LYS 134 -8.639 9.424 11.240 13 HE3 LYS 134 HE1 LYS 134 -5.631 9.347 11.505 No H/Q in entry = 13 In of MODEL 10 1 HA3 GLY 135 HA2 GLY 135 -11.612 13.753 7.536 2 H GLY 135 HN GLY 135 -10.887 11.005 7.152 3 HA2 GLY 135 HA1 GLY 135 -11.747 12.838 6.042 No H/Q in entry = 3 In of MODEL 10 1 H1 GLY 95 HT1 GLY 95 7.215 4.949 7.688 2 H2 GLY 95 HT3 GLY 95 8.618 4.038 7.410 3 H3 GLY 95 HT2 GLY 95 7.365 3.399 8.351 4 HA2 GLY 95 HA2 GLY 95 9.216 4.143 9.722 5 HA3 GLY 95 HA1 GLY 95 7.729 5.018 10.067 No H/Q in entry = 5 In of MODEL 10 1 HA ALA 96 HA ALA 96 9.502 8.740 8.937 2 HB1 ALA 96 HB1 ALA 96 9.731 8.901 11.936 3 HB2 ALA 96 HB2 ALA 96 8.278 9.255 11.001 4 HB3 ALA 96 HB3 ALA 96 9.717 10.258 10.809 5 H ALA 96 HN ALA 96 8.915 6.749 10.921 No H/Q in entry = 5 In of MODEL 10 1 HA MET 97 HA MET 97 13.812 8.144 10.396 2 HB2 MET 97 HB2 MET 97 13.215 7.204 12.676 3 HG2 MET 97 HG2 MET 97 15.862 6.412 11.487 4 HE1 MET 97 HE1 MET 97 15.005 8.129 14.899 5 HE3 MET 97 HE2 MET 97 14.935 6.750 15.992 6 HE2 MET 97 HE3 MET 97 13.704 6.948 14.744 7 H MET 97 HN MET 97 11.392 6.528 10.802 8 HB3 MET 97 HB1 MET 97 13.573 5.615 12.023 9 HG3 MET 97 HG1 MET 97 15.482 7.926 12.304 No H/Q in entry = 9 In of MODEL 10 1 HA GLU 98 HA GLU 98 14.340 4.390 7.774 2 HB2 GLU 98 HB2 GLU 98 11.653 4.919 6.492 3 HG2 GLU 98 HG2 GLU 98 12.589 2.669 8.249 4 H GLU 98 HN GLU 98 12.212 6.207 8.544 5 HB3 GLU 98 HB1 GLU 98 12.786 3.674 5.985 6 HG3 GLU 98 HG1 GLU 98 11.327 3.847 8.606 No H/Q in entry = 6 In of MODEL 10 1 HA PRO 99 HA PRO 99 15.999 7.384 4.892 2 HB2 PRO 99 HB2 PRO 99 17.931 5.777 3.880 3 HG2 PRO 99 HG2 PRO 99 17.307 3.747 4.802 4 HD2 PRO 99 HD2 PRO 99 15.760 3.630 6.498 5 HB3 PRO 99 HB1 PRO 99 18.076 6.560 5.457 6 HG3 PRO 99 HG1 PRO 99 18.360 4.350 6.097 7 HD3 PRO 99 HD1 PRO 99 16.589 4.863 7.464 No H/Q in entry = 7 In of MODEL 10 1 HA GLU 100 HA GLU 100 13.494 6.143 1.568 2 HB2 GLU 100 HB2 GLU 100 15.019 8.526 0.502 3 HG2 GLU 100 HG2 GLU 100 12.275 8.377 1.728 4 H GLU 100 HN GLU 100 15.285 7.815 2.927 5 HB3 GLU 100 HB1 GLU 100 13.603 7.802 -0.251 6 HG3 GLU 100 HG1 GLU 100 13.695 9.131 2.449 No H/Q in entry = 6 In of MODEL 10 1 HA ASN 101 HA ASN 101 17.315 5.233 -1.173 2 HB2 ASN 101 HB2 ASN 101 19.086 6.484 0.061 3 HD21 ASN 101 HD21 ASN 101 18.645 4.832 -2.274 4 HD22 ASN 101 HD22 ASN 101 20.153 4.049 -2.627 5 H ASN 101 HN ASN 101 16.948 6.585 1.228 6 HB3 ASN 101 HB1 ASN 101 19.195 5.134 1.185 No H/Q in entry = 6 In of MODEL 10 1 HA LYS 102 HA LYS 102 17.207 1.210 1.042 2 HB2 LYS 102 HB2 LYS 102 17.999 2.182 3.374 3 HG2 LYS 102 HG2 LYS 102 16.842 -0.546 2.913 4 HD2 LYS 102 HD2 LYS 102 18.462 -0.987 4.973 5 HE2 LYS 102 HE2 LYS 102 16.434 -0.806 6.468 6 HZ1 LYS 102 HZ1 LYS 102 16.300 -2.213 3.862 7 HZ3 LYS 102 HZ2 LYS 102 15.105 -2.409 5.046 8 HZ2 LYS 102 HZ3 LYS 102 16.709 -2.848 5.382 9 H LYS 102 HN LYS 102 16.887 3.905 2.089 10 HB3 LYS 102 HB1 LYS 102 16.358 1.769 3.851 11 HG3 LYS 102 HG1 LYS 102 18.537 -0.054 2.895 12 HD3 LYS 102 HD1 LYS 102 17.959 0.652 5.393 13 HE3 LYS 102 HE1 LYS 102 15.580 -0.127 5.083 No H/Q in entry = 13 In of MODEL 10 1 HA TYR 103 HA TYR 103 12.623 1.629 2.552 2 HB2 TYR 103 HB2 TYR 103 12.650 3.964 3.265 3 HD1 TYR 103 HD1 TYR 103 10.612 5.216 0.767 4 HD2 TYR 103 HD2 TYR 103 10.616 2.325 3.883 5 HE1 TYR 103 HE1 TYR 103 8.160 5.323 0.848 6 HE2 TYR 103 HE2 TYR 103 8.163 2.416 3.979 7 HH TYR 103 HH TYR 103 6.277 4.151 1.622 8 H TYR 103 HN TYR 103 14.737 3.398 2.119 9 HB3 TYR 103 HB1 TYR 103 12.623 4.497 1.592 No H/Q in entry = 9 In of MODEL 10 1 HA LEU 104 HA LEU 104 11.676 2.468 -2.069 2 HB2 LEU 104 HB2 LEU 104 13.416 4.022 -2.704 3 HG LEU 104 HG LEU 104 13.472 1.740 -4.683 4 HD12 LEU 104 HD11 LEU 104 11.677 2.978 -5.817 5 HD11 LEU 104 HD12 LEU 104 11.613 4.105 -4.458 6 HD13 LEU 104 HD13 LEU 104 11.193 2.406 -4.220 7 HD23 LEU 104 HD21 LEU 104 14.005 4.683 -5.077 8 HD22 LEU 104 HD22 LEU 104 14.089 3.419 -6.305 9 HD21 LEU 104 HD23 LEU 104 15.249 3.438 -4.974 10 H LEU 104 HN LEU 104 13.923 2.939 -0.432 11 HB3 LEU 104 HB1 LEU 104 14.601 2.734 -2.750 No H/Q in entry = 11 In of MODEL 10 1 HA PRO 105 HA PRO 105 13.859 -1.637 -3.452 2 HB2 PRO 105 HB2 PRO 105 15.661 -2.725 -1.694 3 HG2 PRO 105 HG2 PRO 105 15.668 -0.954 -0.176 4 HD2 PRO 105 HD2 PRO 105 15.039 1.210 -0.783 5 HB3 PRO 105 HB1 PRO 105 16.119 -1.685 -3.049 6 HG3 PRO 105 HG1 PRO 105 17.019 -0.499 -1.236 7 HD3 PRO 105 HD1 PRO 105 15.731 1.053 -2.414 No H/Q in entry = 7 In of MODEL 10 1 HA GLU 106 HA GLU 106 12.288 -3.582 0.689 2 HB2 GLU 106 HB2 GLU 106 11.270 -0.890 1.636 3 HG2 GLU 106 HG2 GLU 106 13.704 -1.117 1.974 4 H GLU 106 HN GLU 106 13.252 -1.043 -0.010 5 HB3 GLU 106 HB1 GLU 106 11.042 -2.431 2.441 6 HG3 GLU 106 HG1 GLU 106 12.778 -1.015 3.467 No H/Q in entry = 6 In of MODEL 10 1 HA LEU 107 HA LEU 107 8.068 -1.739 -0.717 2 HB2 LEU 107 HB2 LEU 107 9.417 0.319 -2.459 3 HG LEU 107 HG LEU 107 9.252 0.924 -0.028 4 HD13 LEU 107 HD11 LEU 107 8.339 3.141 -0.487 5 HD12 LEU 107 HD12 LEU 107 7.614 2.543 -1.980 6 HD11 LEU 107 HD13 LEU 107 9.369 2.594 -1.812 7 HD21 LEU 107 HD21 LEU 107 6.298 0.813 -0.639 8 HD23 LEU 107 HD22 LEU 107 7.018 1.520 0.809 9 HD22 LEU 107 HD23 LEU 107 7.174 -0.210 0.501 10 H LEU 107 HN LEU 107 10.707 -0.746 -0.686 11 HB3 LEU 107 HB1 LEU 107 7.692 0.014 -2.439 No H/Q in entry = 11 In of MODEL 10 1 HA MET 108 HA MET 108 9.111 -2.853 -5.271 2 HB2 MET 108 HB2 MET 108 11.142 -3.197 -6.422 3 HG2 MET 108 HG2 MET 108 12.578 -2.936 -3.797 4 HE3 MET 108 HE1 MET 108 13.723 -4.601 -7.149 5 HE2 MET 108 HE2 MET 108 14.585 -3.278 -7.936 6 HE1 MET 108 HE3 MET 108 12.836 -3.188 -7.720 7 H MET 108 HN MET 108 10.633 -1.726 -3.169 8 HB3 MET 108 HB1 MET 108 11.308 -1.696 -5.527 9 HG3 MET 108 HG1 MET 108 12.498 -4.366 -4.820 No H/Q in entry = 9 In of MODEL 10 1 HA ALA 109 HA ALA 109 10.814 -6.969 -3.710 2 HB2 ALA 109 HB1 ALA 109 11.511 -7.677 -1.424 3 HB3 ALA 109 HB2 ALA 109 11.313 -6.007 -0.884 4 HB1 ALA 109 HB3 ALA 109 12.530 -6.406 -2.097 5 H ALA 109 HN ALA 109 10.951 -4.339 -2.646 No H/Q in entry = 5 In of MODEL 10 1 HA GLU 110 HA GLU 110 7.097 -7.418 -0.772 2 HB2 GLU 110 HB2 GLU 110 6.606 -4.443 -0.513 3 HG2 GLU 110 HG2 GLU 110 7.397 -6.306 1.697 4 H GLU 110 HN GLU 110 8.891 -5.253 -1.276 5 HB3 GLU 110 HB1 GLU 110 5.651 -5.719 0.234 6 HG3 GLU 110 HG1 GLU 110 8.576 -5.357 0.794 No H/Q in entry = 6 In of MODEL 10 1 HA LYS 111 HA LYS 111 4.617 -4.945 -4.106 2 HB2 LYS 111 HB2 LYS 111 5.727 -3.004 -4.706 3 HG2 LYS 111 HG2 LYS 111 6.127 -4.805 -7.084 4 HD2 LYS 111 HD2 LYS 111 5.939 -1.804 -7.037 5 HE2 LYS 111 HE2 LYS 111 5.288 -2.690 -9.145 6 HZ3 LYS 111 HZ1 LYS 111 6.937 -4.121 -10.386 7 HZ2 LYS 111 HZ2 LYS 111 6.058 -4.886 -9.155 8 HZ1 LYS 111 HZ3 LYS 111 7.670 -4.436 -8.888 9 H LYS 111 HN LYS 111 7.153 -4.692 -2.967 10 HB3 LYS 111 HB1 LYS 111 7.223 -3.849 -5.076 11 HG3 LYS 111 HG1 LYS 111 4.709 -3.809 -6.733 12 HD3 LYS 111 HD1 LYS 111 7.470 -2.675 -7.073 13 HE3 LYS 111 HE1 LYS 111 6.927 -2.061 -9.308 No H/Q in entry = 13 In of MODEL 10 1 HA ASP 112 HA ASP 112 6.326 -7.720 -7.380 2 HB2 ASP 112 HB2 ASP 112 9.133 -7.535 -6.418 3 H ASP 112 HN ASP 112 7.671 -6.407 -5.204 4 HB3 ASP 112 HB1 ASP 112 8.710 -8.880 -7.474 No H/Q in entry = 4 In of MODEL 10 1 HA SER 113 HA SER 113 6.405 -11.338 -4.633 2 HB2 SER 113 HB2 SER 113 6.892 -9.858 -2.041 3 HG SER 113 HG SER 113 8.778 -9.745 -3.079 4 H SER 113 HN SER 113 6.632 -8.455 -4.134 5 HB3 SER 113 HB1 SER 113 6.856 -11.611 -2.234 No H/Q in entry = 5 In of MODEL 10 1 HA LEU 114 HA LEU 114 2.530 -9.895 -2.340 2 HB2 LEU 114 HB2 LEU 114 3.221 -7.411 -2.411 3 HG LEU 114 HG LEU 114 0.343 -8.270 -2.322 4 HD12 LEU 114 HD11 LEU 114 0.590 -7.667 0.050 5 HD11 LEU 114 HD12 LEU 114 2.270 -7.225 -0.246 6 HD13 LEU 114 HD13 LEU 114 1.753 -8.900 -0.443 7 HD21 LEU 114 HD21 LEU 114 0.452 -5.975 -3.233 8 HD23 LEU 114 HD22 LEU 114 1.367 -5.484 -1.810 9 HD22 LEU 114 HD23 LEU 114 -0.295 -6.055 -1.639 10 H LEU 114 HN LEU 114 4.541 -8.618 -3.953 11 HB3 LEU 114 HB1 LEU 114 2.211 -7.307 -3.840 No H/Q in entry = 11 In of MODEL 10 1 HA ASP 115 HA ASP 115 0.313 -11.427 -5.726 2 HB2 ASP 115 HB2 ASP 115 -0.457 -12.783 -3.747 3 H ASP 115 HN ASP 115 0.492 -10.544 -2.993 4 HB3 ASP 115 HB1 ASP 115 -1.795 -11.653 -3.571 No H/Q in entry = 4 In of MODEL 10 1 HA PRO 116 HA PRO 116 -1.697 -7.883 -7.395 2 HB2 PRO 116 HB2 PRO 116 -2.937 -9.105 -9.507 3 HG2 PRO 116 HG2 PRO 116 -2.552 -11.306 -8.843 4 HD2 PRO 116 HD2 PRO 116 -0.842 -11.876 -7.360 5 HB3 PRO 116 HB1 PRO 116 -1.218 -8.693 -9.472 6 HG3 PRO 116 HG1 PRO 116 -1.121 -10.998 -9.852 7 HD3 PRO 116 HD1 PRO 116 0.254 -10.628 -7.998 No H/Q in entry = 7 In of MODEL 10 1 HA SER 117 HA SER 117 -6.095 -9.796 -6.885 2 HB2 SER 117 HB2 SER 117 -5.228 -11.336 -4.425 3 HG SER 117 HG SER 117 -4.515 -12.534 -6.088 4 H SER 117 HN SER 117 -3.485 -10.625 -6.244 5 HB3 SER 117 HB1 SER 117 -6.849 -11.289 -5.115 No H/Q in entry = 5 In of MODEL 10 1 HA PHE 118 HA PHE 118 -5.817 -7.007 -3.235 2 HB2 PHE 118 HB2 PHE 118 -2.833 -7.161 -2.763 3 HD1 PHE 118 HD1 PHE 118 -2.754 -9.606 -2.831 4 HD2 PHE 118 HD2 PHE 118 -5.346 -7.512 -0.184 5 HE1 PHE 118 HE1 PHE 118 -3.038 -11.646 -1.509 6 HE2 PHE 118 HE2 PHE 118 -5.625 -9.552 1.155 7 HZ PHE 118 HZ PHE 118 -4.472 -11.627 0.502 8 H PHE 118 HN PHE 118 -3.810 -8.658 -4.578 9 HB3 PHE 118 HB1 PHE 118 -4.008 -6.331 -1.749 No H/Q in entry = 9 In of MODEL 10 1 HA THR 119 HA THR 119 -4.595 -4.624 -6.840 2 HB THR 119 HB THR 119 -7.320 -3.620 -6.016 3 HG1 THR 119 HG1 THR 119 -6.429 -5.758 -7.513 4 HG23 THR 119 HG21 THR 119 -6.071 -1.924 -7.252 5 HG22 THR 119 HG22 THR 119 -7.373 -2.581 -8.245 6 HG21 THR 119 HG23 THR 119 -5.708 -3.097 -8.519 7 H THR 119 HN THR 119 -6.368 -5.738 -5.010 No H/Q in entry = 7 In of MODEL 10 1 HA HIS 120 HA HIS 120 -4.807 -0.584 -4.538 2 HB2 HIS 120 HB2 HIS 120 -6.271 -1.534 -2.081 3 HD1 HIS 120 HD1 HIS 120 -6.646 1.026 -4.897 4 HD2 HIS 120 HD2 HIS 120 -8.870 -1.700 -2.690 5 HE1 HIS 120 HE1 HIS 120 -8.975 1.144 -5.826 6 HE2 HIS 120 HE2 HIS 120 -10.237 -0.673 -4.631 7 H HIS 120 HN HIS 120 -6.123 -3.065 -4.000 8 HB3 HIS 120 HB1 HIS 120 -5.696 0.109 -2.329 No H/Q in entry = 8 In of MODEL 10 1 HA ALA 121 HA ALA 121 -2.023 -2.192 -0.946 2 HB3 ALA 121 HB1 ALA 121 -1.440 -4.418 -0.364 3 HB2 ALA 121 HB2 ALA 121 -2.257 -5.068 -1.785 4 HB1 ALA 121 HB3 ALA 121 -3.200 -4.362 -0.476 5 H ALA 121 HN ALA 121 -4.191 -3.278 -2.344 No H/Q in entry = 5 In of MODEL 10 1 HA MET 122 HA MET 122 0.594 -3.827 -4.566 2 HB2 MET 122 HB2 MET 122 -1.906 -4.340 -6.135 3 HG2 MET 122 HG2 MET 122 -0.549 -6.044 -4.680 4 HE3 MET 122 HE1 MET 122 1.908 -4.268 -5.897 5 HE2 MET 122 HE2 MET 122 3.186 -5.484 -5.902 6 HE1 MET 122 HE3 MET 122 2.085 -5.369 -4.529 7 H MET 122 HN MET 122 -2.195 -3.871 -3.993 8 HB3 MET 122 HB1 MET 122 -0.371 -4.182 -6.977 9 HG3 MET 122 HG1 MET 122 -1.312 -6.508 -6.200 No H/Q in entry = 9 In of MODEL 10 1 HA GLN 123 HA GLN 123 -0.720 -0.069 -7.099 2 HB2 GLN 123 HB2 GLN 123 -3.030 -0.095 -7.420 3 HG2 GLN 123 HG2 GLN 123 -2.743 2.307 -5.643 4 HE21 GLN 123 HE21 GLN 123 -4.191 1.976 -8.791 5 HE22 GLN 123 HE22 GLN 123 -5.828 2.256 -8.296 6 H GLN 123 HN GLN 123 -2.122 -1.762 -5.323 7 HB3 GLN 123 HB1 GLN 123 -3.366 -0.056 -5.700 8 HG3 GLN 123 HG1 GLN 123 -2.447 2.257 -7.381 No H/Q in entry = 8 In of MODEL 10 1 HA LEU 124 HA LEU 124 -0.337 2.767 -3.447 2 HB2 LEU 124 HB2 LEU 124 -0.729 0.653 -1.322 3 HG LEU 124 HG LEU 124 -2.801 1.628 -2.427 4 HD13 LEU 124 HD11 LEU 124 -2.872 0.583 -0.230 5 HD12 LEU 124 HD12 LEU 124 -3.951 1.977 -0.293 6 HD11 LEU 124 HD13 LEU 124 -2.392 2.104 0.525 7 HD21 LEU 124 HD21 LEU 124 -1.969 3.900 -2.735 8 HD23 LEU 124 HD22 LEU 124 -1.868 4.110 -0.986 9 HD22 LEU 124 HD23 LEU 124 -3.437 3.891 -1.758 10 H LEU 124 HN LEU 124 -1.462 0.215 -3.644 11 HB3 LEU 124 HB1 LEU 124 -0.248 2.305 -0.973 No H/Q in entry = 11 In of MODEL 10 1 HA LEU 125 HA LEU 125 3.673 0.341 -2.371 2 HB2 LEU 125 HB2 LEU 125 2.565 -2.024 -3.866 3 HG LEU 125 HG LEU 125 2.409 -2.000 -1.357 4 HD13 LEU 125 HD11 LEU 125 3.178 -4.296 -1.142 5 HD12 LEU 125 HD12 LEU 125 4.133 -4.130 -2.609 6 HD11 LEU 125 HD13 LEU 125 2.372 -4.056 -2.689 7 HD21 LEU 125 HD21 LEU 125 4.542 -0.868 -0.918 8 HD23 LEU 125 HD22 LEU 125 5.409 -2.257 -1.578 9 HD22 LEU 125 HD23 LEU 125 4.455 -2.431 -0.103 10 H LEU 125 HN LEU 125 1.067 -0.441 -3.240 11 HB3 LEU 125 HB1 LEU 125 4.297 -1.817 -3.704 No H/Q in entry = 11 In of MODEL 10 1 HA THR 126 HA THR 126 4.298 0.492 -7.080 2 HB THR 126 HB THR 126 1.385 1.087 -7.630 3 HG1 THR 126 HG1 THR 126 1.823 -1.120 -7.236 4 HG21 THR 126 HG21 THR 126 3.713 0.902 -9.538 5 HG23 THR 126 HG22 THR 126 2.772 2.348 -9.164 6 HG22 THR 126 HG23 THR 126 2.018 0.997 -10.011 7 H THR 126 HN THR 126 2.039 0.088 -5.456 No H/Q in entry = 7 In of MODEL 10 1 HA ALA 127 HA ALA 127 2.712 5.022 -7.065 2 HB3 ALA 127 HB1 ALA 127 0.482 4.740 -6.136 3 HB2 ALA 127 HB2 ALA 127 1.265 6.190 -5.506 4 HB1 ALA 127 HB3 ALA 127 1.154 4.741 -4.506 5 H ALA 127 HN ALA 127 1.818 2.687 -5.826 No H/Q in entry = 5 In of MODEL 10 1 HA GLU 128 HA GLU 128 4.832 5.938 -2.863 2 HB2 GLU 128 HB2 GLU 128 3.965 3.951 -1.516 3 HG2 GLU 128 HG2 GLU 128 5.986 3.914 0.033 4 H GLU 128 HN GLU 128 3.352 3.760 -3.787 5 HB3 GLU 128 HB1 GLU 128 5.395 3.087 -2.055 6 HG3 GLU 128 HG1 GLU 128 6.721 5.040 -1.103 No H/Q in entry = 6 In of MODEL 10 1 HA ILE 129 HA ILE 129 8.583 3.577 -4.603 2 HB ILE 129 HB ILE 129 6.891 2.016 -6.552 3 HD12 ILE 129 HD11 ILE 129 8.502 -0.554 -6.132 4 HD11 ILE 129 HD12 ILE 129 6.752 -0.423 -5.949 5 HD13 ILE 129 HD13 ILE 129 7.733 -1.043 -4.622 6 H ILE 129 HN ILE 129 5.818 3.056 -4.618 No H/Q in entry = 6 In of MODEL 10 1 HA GLU 130 HA GLU 130 7.539 5.834 -8.738 2 HB2 GLU 130 HB2 GLU 130 4.738 6.393 -7.773 3 HG2 GLU 130 HG2 GLU 130 5.843 4.874 -10.111 4 H GLU 130 HN GLU 130 5.995 4.500 -6.827 5 HB3 GLU 130 HB1 GLU 130 5.478 7.198 -9.149 6 HG3 GLU 130 HG1 GLU 130 4.740 4.309 -8.857 No H/Q in entry = 6 In of MODEL 10 1 HA LYS 131 HA LYS 131 6.707 9.640 -5.888 2 HB2 LYS 131 HB2 LYS 131 5.292 8.623 -4.132 3 HG2 LYS 131 HG2 LYS 131 7.545 10.333 -3.109 4 HD2 LYS 131 HD2 LYS 131 6.473 9.104 -1.269 5 HE2 LYS 131 HE2 LYS 131 4.278 8.737 -2.301 6 HZ2 LYS 131 HZ1 LYS 131 3.903 10.868 -3.324 7 HZ1 LYS 131 HZ2 LYS 131 3.866 11.636 -1.815 8 HZ3 LYS 131 HZ3 LYS 131 2.650 10.533 -2.236 9 H LYS 131 HN LYS 131 6.192 6.912 -5.641 10 HB3 LYS 131 HB1 LYS 131 6.734 7.975 -3.362 11 HG3 LYS 131 HG1 LYS 131 5.954 10.862 -3.660 12 HD3 LYS 131 HD1 LYS 131 6.147 10.836 -1.203 13 HE3 LYS 131 HE1 LYS 131 4.152 9.483 -0.708 No H/Q in entry = 13 In of MODEL 10 1 HA ILE 132 HA ILE 132 10.863 8.791 -3.769 2 HB ILE 132 HB ILE 132 11.143 5.855 -4.380 3 HD12 ILE 132 HD11 ILE 132 11.509 5.286 -1.266 4 HD11 ILE 132 HD12 ILE 132 10.649 4.245 -2.402 5 HD13 ILE 132 HD13 ILE 132 9.813 4.893 -0.990 6 H ILE 132 HN ILE 132 8.712 7.083 -4.466 No H/Q in entry = 6 In of MODEL 10 1 HA GLN 133 HA GLN 133 12.726 7.229 -7.795 2 HB2 GLN 133 HB2 GLN 133 10.166 6.021 -8.792 3 HG2 GLN 133 HG2 GLN 133 12.904 4.946 -8.192 4 HE21 GLN 133 HE21 GLN 133 11.690 2.362 -7.815 5 HE22 GLN 133 HE22 GLN 133 11.452 1.680 -9.387 6 H GLN 133 HN GLN 133 10.168 6.805 -6.601 7 HB3 GLN 133 HB1 GLN 133 11.544 6.252 -9.856 8 HG3 GLN 133 HG1 GLN 133 11.385 4.543 -7.392 No H/Q in entry = 8 In of MODEL 10 1 HA LYS 134 HA LYS 134 10.252 10.438 -10.304 2 HB2 LYS 134 HB2 LYS 134 8.575 11.271 -7.928 3 HG2 LYS 134 HG2 LYS 134 7.570 9.339 -8.863 4 HD2 LYS 134 HD2 LYS 134 7.758 10.710 -11.534 5 HE2 LYS 134 HE2 LYS 134 6.731 7.987 -10.725 6 HZ1 LYS 134 HZ1 LYS 134 6.881 9.242 -13.412 7 HZ3 LYS 134 HZ2 LYS 134 6.111 7.776 -13.048 8 HZ2 LYS 134 HZ3 LYS 134 7.790 7.912 -12.881 9 H LYS 134 HN LYS 134 9.693 8.962 -7.931 10 HB3 LYS 134 HB1 LYS 134 8.603 12.080 -9.485 11 HG3 LYS 134 HG1 LYS 134 6.653 10.755 -9.381 12 HD3 LYS 134 HD1 LYS 134 8.756 9.350 -11.014 13 HE3 LYS 134 HE1 LYS 134 5.747 9.345 -11.268 No H/Q in entry = 13 In of MODEL 10 1 HA3 GLY 135 HA2 GLY 135 11.823 13.602 -7.300 2 H GLY 135 HN GLY 135 11.052 10.862 -6.937 3 HA2 GLY 135 HA1 GLY 135 11.942 12.670 -5.815 No H/Q in entry = 3 In of MODEL 11 1 H1 GLY 95 HT2 GLY 95 -12.688 -3.716 -9.689 2 H2 GLY 95 HT1 GLY 95 -13.958 -2.709 -9.194 3 H3 GLY 95 HT3 GLY 95 -13.999 -4.367 -8.838 4 HA3 GLY 95 HA1 GLY 95 -14.185 -4.911 -11.169 5 HA2 GLY 95 HA2 GLY 95 -15.487 -3.843 -10.663 No H/Q in entry = 5 In of MODEL 11 1 HA ALA 96 HA ALA 96 -13.867 -1.654 -14.118 2 HB1 ALA 96 HB1 ALA 96 -16.829 -1.085 -14.087 3 H ALA 96 HN ALA 96 -15.938 -2.473 -12.244 4 HB2 ALA 96 HB2 ALA 96 -16.028 -2.361 -15.001 5 HB3 ALA 96 HB3 ALA 96 -15.718 -0.669 -15.390 No H/Q in entry = 5 In of MODEL 11 1 HA MET 97 HA MET 97 -14.248 1.988 -11.365 2 HB2 MET 97 HB2 MET 97 -15.586 2.791 -13.250 3 HG2 MET 97 HG2 MET 97 -16.381 4.165 -10.697 4 HE3 MET 97 HE1 MET 97 -19.130 5.388 -13.208 5 HE2 MET 97 HE2 MET 97 -18.821 4.772 -11.586 6 HE1 MET 97 HE3 MET 97 -18.502 3.753 -12.991 7 H MET 97 HN MET 97 -16.049 -0.234 -11.729 8 HB3 MET 97 HB1 MET 97 -17.056 2.493 -12.338 9 HG3 MET 97 HG1 MET 97 -14.901 4.460 -11.610 No H/Q in entry = 9 In of MODEL 11 1 HA GLU 98 HA GLU 98 -16.207 1.140 -7.571 2 HB2 GLU 98 HB2 GLU 98 -13.337 1.923 -7.118 3 HG2 GLU 98 HG2 GLU 98 -13.113 -0.328 -6.220 4 H GLU 98 HN GLU 98 -14.091 2.124 -9.306 5 HB3 GLU 98 HB1 GLU 98 -14.431 1.643 -5.772 6 HG3 GLU 98 HG1 GLU 98 -14.813 -0.638 -6.558 No H/Q in entry = 6 In of MODEL 11 1 HA PRO 99 HA PRO 99 -17.690 5.250 -6.675 2 HB2 PRO 99 HB2 PRO 99 -19.094 4.452 -4.411 3 HG2 PRO 99 HG2 PRO 99 -18.804 2.196 -4.445 4 HD2 PRO 99 HD2 PRO 99 -17.453 1.255 -6.005 5 HB3 PRO 99 HB1 PRO 99 -19.730 4.488 -6.054 6 HG3 PRO 99 HG1 PRO 99 -19.998 2.252 -5.746 7 HD3 PRO 99 HD1 PRO 99 -18.438 1.857 -7.348 No H/Q in entry = 7 In of MODEL 11 1 HA GLU 100 HA GLU 100 -14.828 6.818 -4.255 2 HB2 GLU 100 HB2 GLU 100 -16.185 8.792 -4.730 3 HG2 GLU 100 HG2 GLU 100 -14.958 8.928 -1.987 4 H GLU 100 HN GLU 100 -17.570 6.722 -4.847 5 HB3 GLU 100 HB1 GLU 100 -17.041 8.570 -3.212 6 HG3 GLU 100 HG1 GLU 100 -14.104 9.152 -3.513 No H/Q in entry = 6 In of MODEL 11 1 HA ASN 101 HA ASN 101 -15.953 6.061 0.153 2 HB2 ASN 101 HB2 ASN 101 -18.275 6.762 0.340 3 HD21 ASN 101 HD21 ASN 101 -17.472 6.932 2.431 4 HD22 ASN 101 HD22 ASN 101 -17.743 5.701 3.622 5 H ASN 101 HN ASN 101 -17.569 5.934 -2.247 6 HB3 ASN 101 HB1 ASN 101 -18.827 5.202 -0.257 No H/Q in entry = 6 In of MODEL 11 1 HA LYS 102 HA LYS 102 -16.902 1.331 -0.393 2 HB2 LYS 102 HB2 LYS 102 -17.601 1.904 -3.208 3 HG2 LYS 102 HG2 LYS 102 -19.228 0.106 -2.863 4 HD2 LYS 102 HD2 LYS 102 -19.245 2.147 -0.645 5 HE2 LYS 102 HE2 LYS 102 -21.459 0.526 -1.889 6 HZ2 LYS 102 HZ1 LYS 102 -22.881 1.612 -0.304 7 HZ1 LYS 102 HZ2 LYS 102 -22.162 2.773 -1.303 8 HZ3 LYS 102 HZ3 LYS 102 -21.594 2.549 0.282 9 H LYS 102 HN LYS 102 -17.569 3.615 -1.822 10 HB3 LYS 102 HB1 LYS 102 -16.842 0.355 -2.889 11 HG3 LYS 102 HG1 LYS 102 -18.592 -0.144 -1.237 12 HD3 LYS 102 HD1 LYS 102 -19.895 2.376 -2.272 13 HE3 LYS 102 HE1 LYS 102 -20.827 0.337 -0.256 No H/Q in entry = 13 In of MODEL 11 1 HA TYR 103 HA TYR 103 -12.621 1.721 -2.609 2 HB2 TYR 103 HB2 TYR 103 -12.696 4.093 -3.246 3 HD1 TYR 103 HD1 TYR 103 -10.610 2.563 -3.967 4 HD2 TYR 103 HD2 TYR 103 -10.680 5.217 -0.649 5 HE1 TYR 103 HE1 TYR 103 -8.151 2.694 -4.025 6 HE2 TYR 103 HE2 TYR 103 -8.228 5.351 -0.682 7 HH TYR 103 HH TYR 103 -6.376 4.428 -3.233 8 H TYR 103 HN TYR 103 -14.769 3.403 -2.054 9 HB3 TYR 103 HB1 TYR 103 -12.665 4.560 -1.551 No H/Q in entry = 9 In of MODEL 11 1 HA LEU 104 HA LEU 104 -11.598 2.464 2.021 2 HB2 LEU 104 HB2 LEU 104 -13.353 4.026 2.673 3 HG LEU 104 HG LEU 104 -13.238 1.766 4.678 4 HD12 LEU 104 HD11 LEU 104 -11.433 3.069 5.704 5 HD11 LEU 104 HD12 LEU 104 -11.491 4.201 4.352 6 HD13 LEU 104 HD13 LEU 104 -11.014 2.524 4.081 7 HD21 LEU 104 HD21 LEU 104 -15.058 3.377 5.074 8 HD23 LEU 104 HD22 LEU 104 -13.879 4.690 5.060 9 HD22 LEU 104 HD23 LEU 104 -13.809 3.455 6.316 10 H LEU 104 HN LEU 104 -13.874 2.947 0.413 11 HB3 LEU 104 HB1 LEU 104 -14.503 2.710 2.793 No H/Q in entry = 11 In of MODEL 11 1 HA PRO 105 HA PRO 105 -13.797 -1.637 3.402 2 HB2 PRO 105 HB2 PRO 105 -15.539 -2.726 1.584 3 HG2 PRO 105 HG2 PRO 105 -15.519 -0.923 0.101 4 HD2 PRO 105 HD2 PRO 105 -14.979 1.249 0.784 5 HB3 PRO 105 HB1 PRO 105 -16.049 -1.717 2.945 6 HG3 PRO 105 HG1 PRO 105 -16.918 -0.522 1.119 7 HD3 PRO 105 HD1 PRO 105 -15.690 1.017 2.399 No H/Q in entry = 7 In of MODEL 11 1 HA GLU 106 HA GLU 106 -12.100 -3.511 -0.688 2 HB2 GLU 106 HB2 GLU 106 -11.382 -0.759 -1.683 3 HG2 GLU 106 HG2 GLU 106 -13.547 -2.558 -2.306 4 H GLU 106 HN GLU 106 -13.165 -1.002 -0.032 5 HB3 GLU 106 HB1 GLU 106 -10.782 -2.248 -2.393 6 HG3 GLU 106 HG1 GLU 106 -13.282 -0.886 -2.803 No H/Q in entry = 6 In of MODEL 11 1 HA LEU 107 HA LEU 107 -7.962 -1.533 0.779 2 HB2 LEU 107 HB2 LEU 107 -9.386 0.489 2.503 3 HG LEU 107 HG LEU 107 -9.233 1.105 0.070 4 HD12 LEU 107 HD11 LEU 107 -7.627 2.752 2.019 5 HD11 LEU 107 HD12 LEU 107 -9.384 2.762 1.867 6 HD13 LEU 107 HD13 LEU 107 -8.379 3.339 0.537 7 HD21 LEU 107 HD21 LEU 107 -6.284 1.071 0.698 8 HD23 LEU 107 HD22 LEU 107 -7.011 1.767 -0.751 9 HD22 LEU 107 HD23 LEU 107 -7.120 0.031 -0.456 10 H LEU 107 HN LEU 107 -10.629 -0.605 0.685 11 HB3 LEU 107 HB1 LEU 107 -7.654 0.231 2.482 No H/Q in entry = 11 In of MODEL 11 1 HA MET 108 HA MET 108 -9.036 -2.696 5.293 2 HB2 MET 108 HB2 MET 108 -11.064 -3.051 6.454 3 HG2 MET 108 HG2 MET 108 -12.559 -2.495 3.909 4 HE2 MET 108 HE1 MET 108 -14.514 -0.373 6.594 5 HE1 MET 108 HE2 MET 108 -13.741 -0.351 5.009 6 HE3 MET 108 HE3 MET 108 -12.762 -0.537 6.464 7 H MET 108 HN MET 108 -10.578 -1.567 3.185 8 HB3 MET 108 HB1 MET 108 -11.159 -1.501 5.638 9 HG3 MET 108 HG1 MET 108 -12.449 -4.059 4.718 No H/Q in entry = 9 In of MODEL 11 1 HA ALA 109 HA ALA 109 -10.785 -6.791 3.755 2 HB1 ALA 109 HB1 ALA 109 -12.483 -6.182 2.115 3 HB3 ALA 109 HB2 ALA 109 -11.513 -7.529 1.521 4 HB2 ALA 109 HB3 ALA 109 -11.235 -5.899 0.900 5 H ALA 109 HN ALA 109 -10.920 -4.162 2.686 No H/Q in entry = 5 In of MODEL 11 1 HA GLU 110 HA GLU 110 -7.053 -7.244 0.862 2 HB2 GLU 110 HB2 GLU 110 -6.686 -4.267 0.491 3 HG2 GLU 110 HG2 GLU 110 -7.295 -6.420 -1.521 4 H GLU 110 HN GLU 110 -8.845 -5.072 1.337 5 HB3 GLU 110 HB1 GLU 110 -5.550 -5.482 -0.073 6 HG3 GLU 110 HG1 GLU 110 -8.403 -5.160 -0.978 No H/Q in entry = 6 In of MODEL 11 1 HA LYS 111 HA LYS 111 -4.534 -4.717 4.116 2 HB2 LYS 111 HB2 LYS 111 -5.637 -2.755 4.682 3 HG2 LYS 111 HG2 LYS 111 -5.945 -4.505 7.108 4 HD2 LYS 111 HD2 LYS 111 -5.885 -1.499 6.942 5 HE2 LYS 111 HE2 LYS 111 -5.000 -2.265 9.025 6 HZ2 LYS 111 HZ1 LYS 111 -5.676 -4.455 9.282 7 HZ1 LYS 111 HZ2 LYS 111 -7.311 -4.110 9.004 8 HZ3 LYS 111 HZ3 LYS 111 -6.584 -3.643 10.464 9 H LYS 111 HN LYS 111 -7.080 -4.471 3.008 10 HB3 LYS 111 HB1 LYS 111 -7.118 -3.595 5.117 11 HG3 LYS 111 HG1 LYS 111 -4.559 -3.483 6.698 12 HD3 LYS 111 HD1 LYS 111 -7.351 -2.452 7.154 13 HE3 LYS 111 HE1 LYS 111 -6.637 -1.665 9.294 No H/Q in entry = 13 In of MODEL 11 1 HA ASP 112 HA ASP 112 -6.198 -7.396 7.483 2 HB2 ASP 112 HB2 ASP 112 -9.048 -7.232 6.609 3 H ASP 112 HN ASP 112 -7.580 -6.134 5.290 4 HB3 ASP 112 HB1 ASP 112 -8.578 -8.463 7.775 No H/Q in entry = 4 In of MODEL 11 1 HA SER 113 HA SER 113 -6.473 -11.100 4.857 2 HB2 SER 113 HB2 SER 113 -7.001 -9.638 2.266 3 HG SER 113 HG SER 113 -8.828 -9.545 3.421 4 H SER 113 HN SER 113 -6.603 -8.223 4.277 5 HB3 SER 113 HB1 SER 113 -6.940 -11.390 2.440 No H/Q in entry = 5 In of MODEL 11 1 HA LEU 114 HA LEU 114 -2.652 -9.763 2.348 2 HB2 LEU 114 HB2 LEU 114 -3.194 -7.242 2.716 3 HG LEU 114 HG LEU 114 -0.369 -8.203 2.273 4 HD11 LEU 114 HD11 LEU 114 -2.524 -7.202 0.418 5 HD13 LEU 114 HD12 LEU 114 -1.920 -8.856 0.541 6 HD12 LEU 114 HD13 LEU 114 -0.867 -7.572 -0.061 7 HD21 LEU 114 HD21 LEU 114 -1.508 -5.429 2.040 8 HD23 LEU 114 HD22 LEU 114 0.039 -5.938 1.365 9 HD22 LEU 114 HD23 LEU 114 -0.212 -5.964 3.106 10 H LEU 114 HN LEU 114 -4.510 -8.478 4.096 11 HB3 LEU 114 HB1 LEU 114 -2.015 -7.351 4.009 No H/Q in entry = 11 In of MODEL 11 1 HA ASP 115 HA ASP 115 -0.319 -11.837 5.351 2 HB2 ASP 115 HB2 ASP 115 0.484 -12.763 3.137 3 H ASP 115 HN ASP 115 -0.629 -10.583 2.813 4 HB3 ASP 115 HB1 ASP 115 1.772 -11.565 3.180 No H/Q in entry = 4 In of MODEL 11 1 HA PRO 116 HA PRO 116 1.533 -8.476 7.534 2 HB2 PRO 116 HB2 PRO 116 2.729 -9.936 9.519 3 HG2 PRO 116 HG2 PRO 116 2.418 -12.043 8.575 4 HD2 PRO 116 HD2 PRO 116 0.792 -12.451 6.957 5 HB3 PRO 116 HB1 PRO 116 1.001 -9.559 9.477 6 HG3 PRO 116 HG1 PRO 116 0.944 -11.894 9.558 7 HD3 PRO 116 HD1 PRO 116 -0.372 -11.338 7.710 No H/Q in entry = 7 In of MODEL 11 1 HA SER 117 HA SER 117 5.973 -10.239 6.849 2 HB2 SER 117 HB2 SER 117 5.475 -12.398 5.752 3 HG SER 117 HG SER 117 7.169 -10.862 4.069 4 H SER 117 HN SER 117 3.390 -11.070 6.173 5 HB3 SER 117 HB1 SER 117 5.041 -11.544 4.273 No H/Q in entry = 5 In of MODEL 11 1 HA PHE 118 HA PHE 118 5.633 -7.190 3.389 2 HB2 PHE 118 HB2 PHE 118 2.650 -7.348 2.904 3 HD1 PHE 118 HD1 PHE 118 5.110 -7.576 0.286 4 HD2 PHE 118 HD2 PHE 118 2.656 -9.820 2.935 5 HE1 PHE 118 HE1 PHE 118 5.414 -9.564 -1.117 6 HE2 PHE 118 HE2 PHE 118 2.966 -11.815 1.544 7 HZ PHE 118 HZ PHE 118 4.348 -11.694 -0.494 8 H PHE 118 HN PHE 118 3.644 -8.911 4.664 9 HB3 PHE 118 HB1 PHE 118 3.823 -6.479 1.923 No H/Q in entry = 9 In of MODEL 11 1 HA THR 119 HA THR 119 4.343 -4.905 7.043 2 HB THR 119 HB THR 119 7.127 -3.973 6.358 3 HG1 THR 119 HG1 THR 119 6.266 -6.196 7.485 4 HG23 THR 119 HG21 THR 119 7.125 -2.949 8.586 5 HG22 THR 119 HG22 THR 119 5.433 -3.409 8.792 6 HG21 THR 119 HG23 THR 119 5.886 -2.241 7.548 7 H THR 119 HN THR 119 6.168 -5.983 5.228 No H/Q in entry = 7 In of MODEL 11 1 HA HIS 120 HA HIS 120 4.767 -0.800 4.836 2 HB2 HIS 120 HB2 HIS 120 6.190 -1.807 2.380 3 HD1 HIS 120 HD1 HIS 120 6.630 0.556 5.350 4 HD2 HIS 120 HD2 HIS 120 8.830 -1.905 2.819 5 HE1 HIS 120 HE1 HIS 120 8.998 0.657 6.187 6 HE2 HIS 120 HE2 HIS 120 10.258 -1.024 4.789 7 H HIS 120 HN HIS 120 5.980 -3.325 4.280 8 HB3 HIS 120 HB1 HIS 120 5.680 -0.141 2.624 No H/Q in entry = 8 In of MODEL 11 1 HA ALA 121 HA ALA 121 1.985 -2.282 1.179 2 HB1 ALA 121 HB1 ALA 121 1.352 -4.480 0.562 3 HB3 ALA 121 HB2 ALA 121 2.097 -5.165 2.008 4 HB2 ALA 121 HB3 ALA 121 3.109 -4.487 0.733 5 H ALA 121 HN ALA 121 4.086 -3.447 2.608 No H/Q in entry = 5 In of MODEL 11 1 HA MET 122 HA MET 122 -0.809 -3.811 4.660 2 HB2 MET 122 HB2 MET 122 1.456 -4.306 6.588 3 HG2 MET 122 HG2 MET 122 -0.073 -6.038 4.802 4 HE3 MET 122 HE1 MET 122 -2.399 -7.260 7.585 5 HE2 MET 122 HE2 MET 122 -2.239 -6.904 5.863 6 HE1 MET 122 HE3 MET 122 -1.961 -5.632 7.057 7 H MET 122 HN MET 122 2.013 -3.998 4.214 8 HB3 MET 122 HB1 MET 122 -0.248 -4.479 6.980 9 HG3 MET 122 HG1 MET 122 1.543 -6.239 5.474 No H/Q in entry = 9 In of MODEL 11 1 HA GLN 123 HA GLN 123 0.601 -0.142 7.279 2 HB2 GLN 123 HB2 GLN 123 2.926 -0.183 7.591 3 HG2 GLN 123 HG2 GLN 123 2.501 2.267 5.903 4 HE21 GLN 123 HE21 GLN 123 3.873 3.701 8.065 5 HE22 GLN 123 HE22 GLN 123 5.562 3.420 7.821 6 H GLN 123 HN GLN 123 1.970 -1.867 5.503 7 HB3 GLN 123 HB1 GLN 123 3.255 -0.090 5.869 8 HG3 GLN 123 HG1 GLN 123 2.322 2.145 7.651 No H/Q in entry = 8 In of MODEL 11 1 HA LEU 124 HA LEU 124 0.371 2.760 3.665 2 HB2 LEU 124 HB2 LEU 124 0.747 0.684 1.499 3 HG LEU 124 HG LEU 124 2.828 1.526 2.715 4 HD12 LEU 124 HD11 LEU 124 4.062 1.871 0.606 5 HD11 LEU 124 HD12 LEU 124 2.526 2.017 -0.247 6 HD13 LEU 124 HD13 LEU 124 2.962 0.495 0.530 7 HD22 LEU 124 HD21 LEU 124 2.121 3.835 3.012 8 HD21 LEU 124 HD22 LEU 124 2.071 4.060 1.263 9 HD23 LEU 124 HD23 LEU 124 3.611 3.759 2.068 10 H LEU 124 HN LEU 124 1.395 0.163 3.835 11 HB3 LEU 124 HB1 LEU 124 0.370 2.370 1.186 No H/Q in entry = 11 In of MODEL 11 1 HA LEU 125 HA LEU 125 -3.661 0.470 2.346 2 HB2 LEU 125 HB2 LEU 125 -2.693 -1.931 3.881 3 HG LEU 125 HG LEU 125 -2.424 -1.889 1.369 4 HD12 LEU 125 HD11 LEU 125 -4.240 -4.020 2.482 5 HD11 LEU 125 HD12 LEU 125 -2.506 -3.933 2.790 6 HD13 LEU 125 HD13 LEU 125 -3.101 -4.185 1.153 7 HD23 LEU 125 HD21 LEU 125 -4.458 -2.344 0.064 8 HD22 LEU 125 HD22 LEU 125 -4.516 -0.751 0.823 9 HD21 LEU 125 HD23 LEU 125 -5.435 -2.092 1.514 10 H LEU 125 HN LEU 125 -1.126 -0.388 3.332 11 HB3 LEU 125 HB1 LEU 125 -4.405 -1.679 3.632 No H/Q in entry = 11 In of MODEL 11 1 HA THR 126 HA THR 126 -4.590 0.620 6.959 2 HB THR 126 HB THR 126 -1.699 1.001 7.766 3 HG1 THR 126 HG1 THR 126 -2.161 -1.154 7.381 4 HG21 THR 126 HG21 THR 126 -4.174 0.976 9.497 5 HG23 THR 126 HG22 THR 126 -3.115 2.357 9.201 6 HG22 THR 126 HG23 THR 126 -2.511 0.956 10.088 7 H THR 126 HN THR 126 -2.204 0.186 5.509 No H/Q in entry = 7 In of MODEL 11 1 HA ALA 127 HA ALA 127 -2.718 5.057 7.202 2 HB3 ALA 127 HB1 ALA 127 -1.148 4.739 4.656 3 HB1 ALA 127 HB2 ALA 127 -0.501 4.654 6.296 4 HB2 ALA 127 HB3 ALA 127 -1.180 6.167 5.695 5 H ALA 127 HN ALA 127 -1.923 2.708 5.947 No H/Q in entry = 5 In of MODEL 11 1 HA GLU 128 HA GLU 128 -4.812 6.193 3.076 2 HB2 GLU 128 HB2 GLU 128 -3.990 4.338 1.583 3 HG2 GLU 128 HG2 GLU 128 -5.809 4.493 -0.025 4 H GLU 128 HN GLU 128 -3.426 3.891 3.905 5 HB3 GLU 128 HB1 GLU 128 -5.385 3.400 2.097 6 HG3 GLU 128 HG1 GLU 128 -6.874 5.113 1.229 No H/Q in entry = 6 In of MODEL 11 1 HA ILE 129 HA ILE 129 -8.638 3.783 4.627 2 HB ILE 129 HB ILE 129 -6.964 2.231 6.593 3 HD11 ILE 129 HD11 ILE 129 -6.817 -0.209 5.984 4 HD13 ILE 129 HD12 ILE 129 -7.801 -0.827 4.658 5 HD12 ILE 129 HD13 ILE 129 -8.564 -0.347 6.176 6 H ILE 129 HN ILE 129 -5.894 3.251 4.654 No H/Q in entry = 6 In of MODEL 11 1 HA GLU 130 HA GLU 130 -7.605 6.001 8.809 2 HB2 GLU 130 HB2 GLU 130 -4.871 6.675 7.715 3 HG2 GLU 130 HG2 GLU 130 -5.645 5.275 10.259 4 H GLU 130 HN GLU 130 -6.093 4.721 6.859 5 HB3 GLU 130 HB1 GLU 130 -5.571 7.453 9.124 6 HG3 GLU 130 HG1 GLU 130 -4.868 4.543 8.850 No H/Q in entry = 6 In of MODEL 11 1 HA LYS 131 HA LYS 131 -6.996 9.916 6.131 2 HB2 LYS 131 HB2 LYS 131 -6.950 8.474 3.470 3 HG2 LYS 131 HG2 LYS 131 -4.685 9.775 4.959 4 HD2 LYS 131 HD2 LYS 131 -4.943 8.919 2.082 5 HE2 LYS 131 HE2 LYS 131 -2.529 9.639 1.942 6 HZ3 LYS 131 HZ1 LYS 131 -3.095 7.220 3.566 7 HZ2 LYS 131 HZ2 LYS 131 -1.674 7.514 2.700 8 HZ1 LYS 131 HZ3 LYS 131 -3.146 7.300 1.872 9 H LYS 131 HN LYS 131 -6.355 7.218 5.707 10 HB3 LYS 131 HB1 LYS 131 -6.815 10.207 3.714 11 HG3 LYS 131 HG1 LYS 131 -4.805 8.090 4.441 12 HD3 LYS 131 HD1 LYS 131 -4.584 10.533 2.691 13 HE3 LYS 131 HE1 LYS 131 -2.490 9.552 3.702 No H/Q in entry = 13 In of MODEL 11 1 HA ILE 132 HA ILE 132 -11.023 8.938 3.788 2 HB ILE 132 HB ILE 132 -11.182 5.995 4.418 3 HD11 ILE 132 HD11 ILE 132 -10.604 4.423 2.454 4 HD13 ILE 132 HD12 ILE 132 -9.733 5.089 1.070 5 HD12 ILE 132 HD13 ILE 132 -11.457 5.418 1.273 6 H ILE 132 HN ILE 132 -8.837 7.326 4.554 No H/Q in entry = 6 In of MODEL 11 1 HA GLN 133 HA GLN 133 -12.996 7.393 7.752 2 HB2 GLN 133 HB2 GLN 133 -10.456 6.248 8.890 3 HG2 GLN 133 HG2 GLN 133 -13.060 5.049 8.006 4 HE21 GLN 133 HE21 GLN 133 -11.673 2.514 7.820 5 HE22 GLN 133 HE22 GLN 133 -11.623 1.858 9.422 6 H GLN 133 HN GLN 133 -10.398 6.960 6.642 7 HB3 GLN 133 HB1 GLN 133 -11.927 6.395 9.834 8 HG3 GLN 133 HG1 GLN 133 -11.436 4.705 7.410 No H/Q in entry = 8 In of MODEL 11 1 HA LYS 134 HA LYS 134 -10.716 10.323 10.586 2 HB2 LYS 134 HB2 LYS 134 -8.522 11.190 10.773 3 HG2 LYS 134 HG2 LYS 134 -7.936 10.311 7.959 4 HD2 LYS 134 HD2 LYS 134 -5.751 11.283 8.307 5 HE2 LYS 134 HE2 LYS 134 -6.397 9.447 10.609 6 HZ1 LYS 134 HZ1 LYS 134 -3.865 9.919 9.128 7 HZ3 LYS 134 HZ2 LYS 134 -4.110 8.674 10.251 8 HZ2 LYS 134 HZ3 LYS 134 -4.165 10.291 10.755 9 H LYS 134 HN LYS 134 -9.805 8.850 8.292 10 HB3 LYS 134 HB1 LYS 134 -8.338 9.531 10.232 11 HG3 LYS 134 HG1 LYS 134 -8.118 11.981 8.499 12 HD3 LYS 134 HD1 LYS 134 -6.193 11.763 9.949 13 HE3 LYS 134 HE1 LYS 134 -6.097 8.915 8.957 No H/Q in entry = 13 In of MODEL 11 1 HA3 GLY 135 HA2 GLY 135 -11.277 12.793 6.014 2 H GLY 135 HN GLY 135 -10.162 11.075 7.180 3 HA2 GLY 135 HA1 GLY 135 -11.674 13.550 7.551 No H/Q in entry = 3 In of MODEL 11 1 H1 GLY 95 HT2 GLY 95 12.622 -3.999 9.793 2 H2 GLY 95 HT1 GLY 95 13.917 -3.023 9.296 3 H3 GLY 95 HT3 GLY 95 13.910 -4.683 8.932 4 HA2 GLY 95 HA2 GLY 95 15.422 -4.202 10.753 5 HA3 GLY 95 HA1 GLY 95 14.096 -5.239 11.261 No H/Q in entry = 5 In of MODEL 11 1 HA ALA 96 HA ALA 96 13.865 -2.002 14.232 2 HB1 ALA 96 HB1 ALA 96 16.837 -1.488 14.202 3 HB3 ALA 96 HB2 ALA 96 16.010 -2.754 15.108 4 HB2 ALA 96 HB3 ALA 96 15.733 -1.059 15.506 5 H ALA 96 HN ALA 96 15.918 -2.848 12.346 No H/Q in entry = 5 In of MODEL 11 1 HA MET 97 HA MET 97 14.298 1.650 11.507 2 HB2 MET 97 HB2 MET 97 15.653 2.420 13.390 3 HG2 MET 97 HG2 MET 97 16.458 3.796 10.839 4 HE3 MET 97 HE1 MET 97 19.248 4.947 13.355 5 HE2 MET 97 HE2 MET 97 18.928 4.337 11.730 6 HE1 MET 97 HE3 MET 97 18.580 3.330 13.135 7 H MET 97 HN MET 97 16.071 -0.597 11.857 8 HB3 MET 97 HB1 MET 97 17.119 2.106 12.477 9 HG3 MET 97 HG1 MET 97 14.995 4.116 11.765 No H/Q in entry = 9 In of MODEL 11 1 HA GLU 98 HA GLU 98 16.228 0.796 7.695 2 HB2 GLU 98 HB2 GLU 98 13.371 1.635 7.263 3 HG2 GLU 98 HG2 GLU 98 13.102 -0.604 6.353 4 H GLU 98 HN GLU 98 14.139 1.808 9.445 5 HB3 GLU 98 HB1 GLU 98 14.454 1.345 5.908 6 HG3 GLU 98 HG1 GLU 98 14.799 -0.947 6.674 No H/Q in entry = 6 In of MODEL 11 1 HA PRO 99 HA PRO 99 17.793 4.888 6.821 2 HB2 PRO 99 HB2 PRO 99 19.174 4.072 4.550 3 HG2 PRO 99 HG2 PRO 99 18.840 1.823 4.574 4 HD2 PRO 99 HD2 PRO 99 17.478 0.901 6.133 5 HB3 PRO 99 HB1 PRO 99 19.817 4.090 6.192 6 HG3 PRO 99 HG1 PRO 99 20.042 1.849 5.872 7 HD3 PRO 99 HD1 PRO 99 18.477 1.477 7.478 No H/Q in entry = 7 In of MODEL 11 1 HA GLU 100 HA GLU 100 14.946 6.521 4.417 2 HB2 GLU 100 HB2 GLU 100 16.343 8.462 4.903 3 HG2 GLU 100 HG2 GLU 100 15.126 8.647 2.161 4 H GLU 100 HN GLU 100 17.679 6.372 5.018 5 HB3 GLU 100 HB1 GLU 100 17.199 8.232 3.387 6 HG3 GLU 100 HG1 GLU 100 14.277 8.887 3.687 No H/Q in entry = 6 In of MODEL 11 1 HA ASN 101 HA ASN 101 16.053 5.764 0.005 2 HB2 ASN 101 HB2 ASN 101 18.385 6.431 -0.176 3 HD21 ASN 101 HD21 ASN 101 17.550 6.623 -2.273 4 HD22 ASN 101 HD22 ASN 101 17.819 5.394 -3.469 5 H ASN 101 HN ASN 101 17.670 5.589 2.404 6 HB3 ASN 101 HB1 ASN 101 18.912 4.854 0.404 No H/Q in entry = 6 In of MODEL 11 1 HA LYS 102 HA LYS 102 16.915 1.016 0.523 2 HB2 LYS 102 HB2 LYS 102 17.628 1.555 3.342 3 HG2 LYS 102 HG2 LYS 102 19.217 -0.276 2.982 4 HD2 LYS 102 HD2 LYS 102 19.265 1.784 0.778 5 HE2 LYS 102 HE2 LYS 102 21.462 0.113 1.998 6 HZ2 LYS 102 HZ1 LYS 102 22.895 1.197 0.412 7 HZ1 LYS 102 HZ2 LYS 102 22.198 2.352 1.444 8 HZ3 LYS 102 HZ3 LYS 102 21.616 2.169 -0.138 9 H LYS 102 HN LYS 102 17.626 3.279 1.968 10 HB3 LYS 102 HB1 LYS 102 16.833 0.026 3.012 11 HG3 LYS 102 HG1 LYS 102 18.571 -0.499 1.357 12 HD3 LYS 102 HD1 LYS 102 19.925 1.987 2.404 13 HE3 LYS 102 HE1 LYS 102 20.823 -0.047 0.364 No H/Q in entry = 13 In of MODEL 11 1 HA TYR 103 HA TYR 103 12.649 1.479 2.754 2 HB2 TYR 103 HB2 TYR 103 12.764 3.842 3.411 3 HD1 TYR 103 HD1 TYR 103 10.648 2.353 4.126 4 HD2 TYR 103 HD2 TYR 103 10.762 5.025 0.826 5 HE1 TYR 103 HE1 TYR 103 8.196 2.525 4.187 6 HE2 TYR 103 HE2 TYR 103 8.314 5.207 0.862 7 HH TYR 103 HH TYR 103 6.440 4.328 3.399 8 H TYR 103 HN TYR 103 14.826 3.124 2.206 9 HB3 TYR 103 HB1 TYR 103 12.739 4.326 1.722 No H/Q in entry = 9 In of MODEL 11 1 HA LEU 104 HA LEU 104 11.624 2.277 -1.870 2 HB2 LEU 104 HB2 LEU 104 13.405 3.806 -2.518 3 HG LEU 104 HG LEU 104 13.243 1.558 -4.533 4 HD12 LEU 104 HD11 LEU 104 11.460 2.905 -5.549 5 HD11 LEU 104 HD12 LEU 104 11.545 4.024 -4.189 6 HD13 LEU 104 HD13 LEU 104 11.036 2.356 -3.926 7 HD21 LEU 104 HD21 LEU 104 15.092 3.136 -4.925 8 HD23 LEU 104 HD22 LEU 104 13.939 4.470 -4.901 9 HD22 LEU 104 HD23 LEU 104 13.842 3.245 -6.165 10 H LEU 104 HN LEU 104 13.915 2.700 -0.264 11 HB3 LEU 104 HB1 LEU 104 14.531 2.468 -2.648 No H/Q in entry = 11 In of MODEL 11 1 HA PRO 105 HA PRO 105 13.741 -1.864 -3.287 2 HB2 PRO 105 HB2 PRO 105 15.464 -3.002 -1.479 3 HG2 PRO 105 HG2 PRO 105 15.485 -1.212 0.016 4 HD2 PRO 105 HD2 PRO 105 14.987 0.979 -0.650 5 HB3 PRO 105 HB1 PRO 105 15.993 -1.996 -2.835 6 HG3 PRO 105 HG1 PRO 105 16.889 -0.830 -1.003 7 HD3 PRO 105 HD1 PRO 105 15.689 0.742 -2.268 No H/Q in entry = 7 In of MODEL 11 1 HA GLU 106 HA GLU 106 12.014 -3.734 0.796 2 HB2 GLU 106 HB2 GLU 106 11.350 -0.975 1.821 3 HG2 GLU 106 HG2 GLU 106 13.486 -2.820 2.421 4 H GLU 106 HN GLU 106 13.126 -1.239 0.151 5 HB3 GLU 106 HB1 GLU 106 10.730 -2.461 2.518 6 HG3 GLU 106 HG1 GLU 106 13.253 -1.148 2.931 No H/Q in entry = 6 In of MODEL 11 1 HA LEU 107 HA LEU 107 7.919 -1.665 -0.642 2 HB2 LEU 107 HB2 LEU 107 9.372 0.342 -2.355 3 HG LEU 107 HG LEU 107 9.234 0.946 0.079 4 HD12 LEU 107 HD11 LEU 107 7.660 2.634 -1.861 5 HD11 LEU 107 HD12 LEU 107 9.416 2.610 -1.707 6 HD13 LEU 107 HD13 LEU 107 8.421 3.197 -0.374 7 HD21 LEU 107 HD21 LEU 107 6.281 0.971 -0.539 8 HD23 LEU 107 HD22 LEU 107 7.028 1.644 0.910 9 HD22 LEU 107 HD23 LEU 107 7.102 -0.091 0.607 10 H LEU 107 HN LEU 107 10.604 -0.788 -0.555 11 HB3 LEU 107 HB1 LEU 107 7.635 0.115 -2.338 No H/Q in entry = 11 In of MODEL 11 1 HA MET 108 HA MET 108 8.950 -2.818 -5.174 2 HB2 MET 108 HB2 MET 108 10.968 -3.203 -6.338 3 HG2 MET 108 HG2 MET 108 12.479 -2.701 -3.793 4 HE2 MET 108 HE1 MET 108 14.473 -0.597 -6.466 5 HE1 MET 108 HE2 MET 108 13.698 -0.569 -4.878 6 HE3 MET 108 HE3 MET 108 12.720 -0.727 -6.336 7 H MET 108 HN MET 108 10.519 -1.735 -3.061 8 HB3 MET 108 HB1 MET 108 11.098 -1.662 -5.512 9 HG3 MET 108 HG1 MET 108 12.336 -4.253 -4.616 No H/Q in entry = 9 In of MODEL 11 1 HA ALA 109 HA ALA 109 10.625 -6.952 -3.663 2 HB1 ALA 109 HB1 ALA 109 12.338 -6.388 -2.019 3 HB2 ALA 109 HB2 ALA 109 11.340 -7.720 -1.435 4 HB3 ALA 109 HB3 ALA 109 11.096 -6.088 -0.803 5 H ALA 109 HN ALA 109 10.821 -4.335 -2.583 No H/Q in entry = 5 In of MODEL 11 1 HA GLU 110 HA GLU 110 6.894 -7.358 -0.765 2 HB2 GLU 110 HB2 GLU 110 6.581 -4.375 -0.366 3 HG2 GLU 110 HG2 GLU 110 7.162 -6.553 1.628 4 H GLU 110 HN GLU 110 8.721 -5.210 -1.231 5 HB3 GLU 110 HB1 GLU 110 5.425 -5.574 0.192 6 HG3 GLU 110 HG1 GLU 110 8.287 -5.307 1.087 No H/Q in entry = 6 In of MODEL 11 1 HA LYS 111 HA LYS 111 4.416 -4.756 -3.991 2 HB2 LYS 111 HB2 LYS 111 5.557 -2.815 -4.547 3 HG2 LYS 111 HG2 LYS 111 5.819 -4.551 -6.987 4 HD2 LYS 111 HD2 LYS 111 5.818 -1.545 -6.809 5 HE2 LYS 111 HE2 LYS 111 4.916 -2.289 -8.896 6 HZ2 LYS 111 HZ1 LYS 111 5.539 -4.486 -9.175 7 HZ1 LYS 111 HZ2 LYS 111 7.178 -4.191 -8.867 8 HZ3 LYS 111 HZ3 LYS 111 6.486 -3.692 -10.338 9 H LYS 111 HN LYS 111 6.972 -4.570 -2.890 10 HB3 LYS 111 HB1 LYS 111 7.020 -3.679 -4.994 11 HG3 LYS 111 HG1 LYS 111 4.458 -3.504 -6.563 12 HD3 LYS 111 HD1 LYS 111 7.267 -2.525 -7.025 13 HE3 LYS 111 HE1 LYS 111 6.565 -1.720 -9.164 No H/Q in entry = 13 In of MODEL 11 1 HA ASP 112 HA ASP 112 6.014 -7.441 -7.384 2 HB2 ASP 112 HB2 ASP 112 8.869 -7.339 -6.515 3 H ASP 112 HN ASP 112 7.430 -6.227 -5.186 4 HB3 ASP 112 HB1 ASP 112 8.373 -8.556 -7.686 No H/Q in entry = 4 In of MODEL 11 1 HA SER 113 HA SER 113 6.229 -11.173 -4.777 2 HB2 SER 113 HB2 SER 113 6.792 -9.738 -2.179 3 HG SER 113 HG SER 113 8.616 -9.678 -3.345 4 H SER 113 HN SER 113 6.414 -8.301 -4.187 5 HB3 SER 113 HB1 SER 113 6.696 -11.486 -2.362 No H/Q in entry = 5 In of MODEL 11 1 HA LEU 114 HA LEU 114 2.437 -9.780 -2.246 2 HB2 LEU 114 HB2 LEU 114 3.031 -7.268 -2.612 3 HG LEU 114 HG LEU 114 0.186 -8.173 -2.159 4 HD11 LEU 114 HD11 LEU 114 2.365 -7.225 -0.309 5 HD13 LEU 114 HD12 LEU 114 1.735 -8.868 -0.439 6 HD12 LEU 114 HD13 LEU 114 0.705 -7.570 0.175 7 HD21 LEU 114 HD21 LEU 114 1.383 -5.427 -1.908 8 HD23 LEU 114 HD22 LEU 114 -0.171 -5.910 -1.231 9 HD22 LEU 114 HD23 LEU 114 0.072 -5.924 -2.974 10 H LEU 114 HN LEU 114 4.322 -8.521 -3.980 11 HB3 LEU 114 HB1 LEU 114 1.844 -7.354 -3.900 No H/Q in entry = 11 In of MODEL 11 1 HA ASP 115 HA ASP 115 0.056 -11.785 -5.259 2 HB2 ASP 115 HB2 ASP 115 -0.755 -12.700 -3.042 3 H ASP 115 HN ASP 115 0.399 -10.553 -2.713 4 HB3 ASP 115 HB1 ASP 115 -2.027 -11.484 -3.084 No H/Q in entry = 4 In of MODEL 11 1 HA PRO 116 HA PRO 116 -1.731 -8.383 -7.419 2 HB2 PRO 116 HB2 PRO 116 -2.965 -9.804 -9.405 3 HG2 PRO 116 HG2 PRO 116 -2.693 -11.927 -8.480 4 HD2 PRO 116 HD2 PRO 116 -1.075 -12.375 -6.862 5 HB3 PRO 116 HB1 PRO 116 -1.231 -9.463 -9.369 6 HG3 PRO 116 HG1 PRO 116 -1.215 -11.796 -9.460 7 HD3 PRO 116 HD1 PRO 116 0.112 -11.284 -7.611 No H/Q in entry = 7 In of MODEL 11 1 HA SER 117 HA SER 117 -6.208 -10.055 -6.732 2 HB2 SER 117 HB2 SER 117 -5.759 -12.226 -5.650 3 HG SER 117 HG SER 117 -7.408 -10.641 -3.967 4 H SER 117 HN SER 117 -3.640 -10.943 -6.077 5 HB3 SER 117 HB1 SER 117 -5.291 -11.391 -4.170 No H/Q in entry = 5 In of MODEL 11 1 HA PHE 118 HA PHE 118 -5.796 -7.037 -3.254 2 HB2 PHE 118 HB2 PHE 118 -2.813 -7.264 -2.780 3 HD1 PHE 118 HD1 PHE 118 -5.270 -7.460 -0.154 4 HD2 PHE 118 HD2 PHE 118 -2.873 -9.732 -2.829 5 HE1 PHE 118 HE1 PHE 118 -5.615 -9.451 1.233 6 HE2 PHE 118 HE2 PHE 118 -3.224 -11.733 -1.454 7 HZ PHE 118 HZ PHE 118 -4.598 -11.596 0.590 8 H PHE 118 HN PHE 118 -3.847 -8.784 -4.551 9 HB3 PHE 118 HB1 PHE 118 -3.965 -6.377 -1.788 No H/Q in entry = 9 In of MODEL 11 1 HA THR 119 HA THR 119 -4.474 -4.757 -6.895 2 HB THR 119 HB THR 119 -7.238 -3.779 -6.199 3 HG1 THR 119 HG1 THR 119 -6.415 -6.007 -7.338 4 HG23 THR 119 HG21 THR 119 -7.221 -2.735 -8.420 5 HG22 THR 119 HG22 THR 119 -5.539 -3.221 -8.632 6 HG21 THR 119 HG23 THR 119 -5.968 -2.057 -7.377 7 H THR 119 HN THR 119 -6.315 -5.814 -5.087 No H/Q in entry = 7 In of MODEL 11 1 HA HIS 120 HA HIS 120 -4.809 -0.654 -4.662 2 HB2 HIS 120 HB2 HIS 120 -6.247 -1.656 -2.210 3 HD1 HIS 120 HD1 HIS 120 -6.641 0.731 -5.160 4 HD2 HIS 120 HD2 HIS 120 -8.891 -1.693 -2.639 5 HE1 HIS 120 HE1 HIS 120 -9.009 0.892 -5.994 6 HE2 HIS 120 HE2 HIS 120 -10.298 -0.780 -4.609 7 H HIS 120 HN HIS 120 -6.083 -3.153 -4.136 8 HB3 HIS 120 HB1 HIS 120 -5.706 0.003 -2.442 No H/Q in entry = 8 In of MODEL 11 1 HA ALA 121 HA ALA 121 -2.053 -2.218 -1.019 2 HB3 ALA 121 HB1 ALA 121 -1.458 -4.431 -0.425 3 HB2 ALA 121 HB2 ALA 121 -2.220 -5.092 -1.870 4 HB1 ALA 121 HB3 ALA 121 -3.215 -4.407 -0.589 5 H ALA 121 HN ALA 121 -4.183 -3.332 -2.448 No H/Q in entry = 5 In of MODEL 11 1 HA MET 122 HA MET 122 0.710 -3.779 -4.516 2 HB2 MET 122 HB2 MET 122 -1.574 -4.218 -6.434 3 HG2 MET 122 HG2 MET 122 -0.076 -5.993 -4.662 4 HE3 MET 122 HE1 MET 122 2.223 -7.232 -7.472 5 HE2 MET 122 HE2 MET 122 2.085 -6.887 -5.743 6 HE1 MET 122 HE3 MET 122 1.816 -5.603 -6.925 7 H MET 122 HN MET 122 -2.114 -3.913 -4.070 8 HB3 MET 122 HB1 MET 122 0.125 -4.421 -6.839 9 HG3 MET 122 HG1 MET 122 -1.693 -6.157 -5.338 No H/Q in entry = 9 In of MODEL 11 1 HA GLN 123 HA GLN 123 -0.638 -0.067 -7.112 2 HB2 GLN 123 HB2 GLN 123 -2.970 -0.059 -7.418 3 HG2 GLN 123 HG2 GLN 123 -2.485 2.372 -5.715 4 HE21 GLN 123 HE21 GLN 123 -3.814 3.848 -7.859 5 HE22 GLN 123 HE22 GLN 123 -5.513 3.614 -7.623 6 H GLN 123 HN GLN 123 -2.033 -1.770 -5.333 7 HB3 GLN 123 HB1 GLN 123 -3.287 0.033 -5.694 8 HG3 GLN 123 HG1 GLN 123 -2.312 2.257 -7.464 No H/Q in entry = 8 In of MODEL 11 1 HA LEU 124 HA LEU 124 -0.342 2.810 -3.479 2 HB2 LEU 124 HB2 LEU 124 -0.747 0.729 -1.322 3 HG LEU 124 HG LEU 124 -2.814 1.624 -2.531 4 HD12 LEU 124 HD11 LEU 124 -4.041 1.966 -0.421 5 HD11 LEU 124 HD12 LEU 124 -2.503 2.079 0.436 6 HD13 LEU 124 HD13 LEU 124 -2.963 0.571 -0.356 7 HD22 LEU 124 HD21 LEU 124 -2.060 3.921 -2.807 8 HD21 LEU 124 HD22 LEU 124 -2.009 4.129 -1.057 9 HD23 LEU 124 HD23 LEU 124 -3.552 3.862 -1.868 10 H LEU 124 HN LEU 124 -1.418 0.233 -3.667 11 HB3 LEU 124 HB1 LEU 124 -0.337 2.405 -1.005 No H/Q in entry = 11 In of MODEL 11 1 HA LEU 125 HA LEU 125 3.648 0.430 -2.181 2 HB2 LEU 125 HB2 LEU 125 2.617 -1.937 -3.726 3 HG LEU 125 HG LEU 125 2.369 -1.912 -1.223 4 HD12 LEU 125 HD11 LEU 125 4.132 -4.071 -2.361 5 HD11 LEU 125 HD12 LEU 125 2.398 -3.945 -2.650 6 HD13 LEU 125 HD13 LEU 125 3.002 -4.220 -1.022 7 HD23 LEU 125 HD21 LEU 125 4.392 -2.416 0.079 8 HD22 LEU 125 HD22 LEU 125 4.478 -0.818 -0.667 9 HD21 LEU 125 HD23 LEU 125 5.375 -2.167 -1.368 10 H LEU 125 HN LEU 125 1.095 -0.365 -3.173 11 HB3 LEU 125 HB1 LEU 125 4.338 -1.730 -3.495 No H/Q in entry = 11 In of MODEL 11 1 HA THR 126 HA THR 126 4.570 0.596 -6.799 2 HB THR 126 HB THR 126 1.686 1.036 -7.601 3 HG1 THR 126 HG1 THR 126 2.093 -1.124 -7.237 4 HG21 THR 126 HG21 THR 126 4.151 0.970 -9.345 5 HG23 THR 126 HG22 THR 126 3.123 2.374 -9.037 6 HG22 THR 126 HG23 THR 126 2.484 0.989 -9.925 7 H THR 126 HN THR 126 2.180 0.193 -5.345 No H/Q in entry = 7 In of MODEL 11 1 HA ALA 127 HA ALA 127 2.786 5.069 -7.007 2 HB2 ALA 127 HB1 ALA 127 1.210 4.772 -4.463 3 HB1 ALA 127 HB2 ALA 127 0.559 4.718 -6.102 4 HB3 ALA 127 HB3 ALA 127 1.279 6.205 -5.489 5 H ALA 127 HN ALA 127 1.944 2.729 -5.763 No H/Q in entry = 5 In of MODEL 11 1 HA GLU 128 HA GLU 128 4.907 6.135 -2.885 2 HB2 GLU 128 HB2 GLU 128 4.056 4.287 -1.400 3 HG2 GLU 128 HG2 GLU 128 5.874 4.409 0.208 4 H GLU 128 HN GLU 128 3.482 3.863 -3.724 5 HB3 GLU 128 HB1 GLU 128 5.435 3.329 -1.922 6 HG3 GLU 128 HG1 GLU 128 6.956 5.005 -1.045 No H/Q in entry = 6 In of MODEL 11 1 HA ILE 129 HA ILE 129 8.683 3.668 -4.461 2 HB ILE 129 HB ILE 129 6.971 2.156 -6.429 3 HD11 ILE 129 HD11 ILE 129 6.779 -0.286 -5.839 4 HD13 ILE 129 HD12 ILE 129 7.756 -0.935 -4.522 5 HD12 ILE 129 HD13 ILE 129 8.523 -0.455 -6.038 6 H ILE 129 HN ILE 129 5.926 3.192 -4.488 No H/Q in entry = 6 In of MODEL 11 1 HA GLU 130 HA GLU 130 7.674 5.924 -8.624 2 HB2 GLU 130 HB2 GLU 130 4.957 6.650 -7.519 3 HG2 GLU 130 HG2 GLU 130 5.692 5.253 -10.072 4 H GLU 130 HN GLU 130 6.144 4.662 -6.680 5 HB3 GLU 130 HB1 GLU 130 5.670 7.421 -8.925 6 HG3 GLU 130 HG1 GLU 130 4.908 4.525 -8.665 No H/Q in entry = 6 In of MODEL 11 1 HA LYS 131 HA LYS 131 7.155 9.838 -5.924 2 HB2 LYS 131 HB2 LYS 131 7.090 8.381 -3.270 3 HG2 LYS 131 HG2 LYS 131 4.840 9.732 -4.737 4 HD2 LYS 131 HD2 LYS 131 5.095 8.850 -1.867 5 HE2 LYS 131 HE2 LYS 131 2.698 9.622 -1.710 6 HZ3 LYS 131 HZ1 LYS 131 3.189 7.204 -3.354 7 HZ2 LYS 131 HZ2 LYS 131 1.795 7.524 -2.444 8 HZ1 LYS 131 HZ3 LYS 131 3.285 7.270 -1.661 9 H LYS 131 HN LYS 131 6.452 7.151 -5.515 10 HB3 LYS 131 HB1 LYS 131 6.986 10.116 -3.505 11 HG3 LYS 131 HG1 LYS 131 4.935 8.042 -4.231 12 HD3 LYS 131 HD1 LYS 131 4.768 10.478 -2.459 13 HE3 LYS 131 HE1 LYS 131 2.650 9.545 -3.471 No H/Q in entry = 13 In of MODEL 11 1 HA ILE 132 HA ILE 132 11.162 8.759 -3.595 2 HB ILE 132 HB ILE 132 11.267 5.818 -4.241 3 HD11 ILE 132 HD11 ILE 132 10.659 4.247 -2.280 4 HD13 ILE 132 HD12 ILE 132 9.810 4.927 -0.892 5 HD12 ILE 132 HD13 ILE 132 11.539 5.220 -1.101 6 H ILE 132 HN ILE 132 8.945 7.192 -4.378 No H/Q in entry = 6 In of MODEL 11 1 HA GLN 133 HA GLN 133 13.103 7.201 -7.576 2 HB2 GLN 133 HB2 GLN 133 10.533 6.124 -8.721 3 HG2 GLN 133 HG2 GLN 133 13.111 4.863 -7.843 4 HE21 GLN 133 HE21 GLN 133 11.674 2.349 -7.675 5 HE22 GLN 133 HE22 GLN 133 11.615 1.716 -9.281 6 H GLN 133 HN GLN 133 10.498 6.814 -6.462 7 HB3 GLN 133 HB1 GLN 133 12.010 6.242 -9.660 8 HG3 GLN 133 HG1 GLN 133 11.481 4.549 -7.247 No H/Q in entry = 8 In of MODEL 11 1 HA LYS 134 HA LYS 134 10.876 10.200 -10.377 2 HB2 LYS 134 HB2 LYS 134 8.700 11.114 -10.554 3 HG2 LYS 134 HG2 LYS 134 8.101 10.230 -7.742 4 HD2 LYS 134 HD2 LYS 134 5.933 11.242 -8.087 5 HE2 LYS 134 HE2 LYS 134 6.536 9.408 -10.404 6 HZ1 LYS 134 HZ1 LYS 134 4.023 9.916 -8.899 7 HZ3 LYS 134 HZ2 LYS 134 4.236 8.687 -10.046 8 HZ2 LYS 134 HZ3 LYS 134 4.324 10.309 -10.524 9 H LYS 134 HN LYS 134 9.938 8.727 -8.093 10 HB3 LYS 134 HB1 LYS 134 8.485 9.456 -10.025 11 HG3 LYS 134 HG1 LYS 134 8.312 11.898 -8.278 12 HD3 LYS 134 HD1 LYS 134 6.383 11.724 -9.724 13 HE3 LYS 134 HE1 LYS 134 6.231 8.873 -8.752 No H/Q in entry = 13 In of MODEL 11 1 HA3 GLY 135 HA2 GLY 135 11.481 12.627 -5.787 2 H GLY 135 HN GLY 135 10.340 10.942 -6.969 3 HA2 GLY 135 HA1 GLY 135 11.914 13.377 -7.317 No H/Q in entry = 3 In of MODEL 12 1 H1 GLY 95 HT2 GLY 95 -11.585 -2.869 -8.047 2 H2 GLY 95 HT1 GLY 95 -13.151 -2.389 -8.475 3 H3 GLY 95 HT3 GLY 95 -12.866 -3.978 -7.972 4 HA3 GLY 95 HA1 GLY 95 -11.528 -4.406 -9.915 5 HA2 GLY 95 HA2 GLY 95 -13.145 -3.880 -10.362 No H/Q in entry = 5 In of MODEL 12 1 HA ALA 96 HA ALA 96 -10.569 -1.311 -12.884 2 HB2 ALA 96 HB1 ALA 96 -11.981 -2.381 -14.577 3 HB3 ALA 96 HB2 ALA 96 -11.798 -0.654 -14.880 4 HB1 ALA 96 HB3 ALA 96 -13.294 -1.272 -14.180 5 H ALA 96 HN ALA 96 -12.881 -2.828 -12.230 No H/Q in entry = 5 In of MODEL 12 1 HA MET 97 HA MET 97 -12.706 2.139 -10.956 2 HB2 MET 97 HB2 MET 97 -14.678 3.356 -11.625 3 HG2 MET 97 HG2 MET 97 -16.227 2.088 -13.315 4 HE3 MET 97 HE1 MET 97 -18.787 1.633 -12.701 5 HE2 MET 97 HE2 MET 97 -19.386 1.521 -11.046 6 HE1 MET 97 HE3 MET 97 -18.313 0.275 -11.680 7 H MET 97 HN MET 97 -13.834 -0.426 -11.822 8 HB3 MET 97 HB1 MET 97 -14.024 2.517 -13.019 9 HG3 MET 97 HG1 MET 97 -15.797 0.695 -12.325 No H/Q in entry = 9 In of MODEL 12 1 HA GLU 98 HA GLU 98 -14.772 0.718 -7.404 2 HB2 GLU 98 HB2 GLU 98 -13.540 1.335 -5.440 3 HG2 GLU 98 HG2 GLU 98 -13.249 3.771 -6.191 4 H GLU 98 HN GLU 98 -12.928 2.419 -8.885 5 HB3 GLU 98 HB1 GLU 98 -12.372 0.962 -6.698 6 HG3 GLU 98 HG1 GLU 98 -11.993 3.021 -5.210 No H/Q in entry = 6 In of MODEL 12 1 HA PRO 99 HA PRO 99 -17.511 4.140 -6.438 2 HB2 PRO 99 HB2 PRO 99 -18.431 3.275 -4.028 3 HG2 PRO 99 HG2 PRO 99 -17.041 1.489 -3.635 4 HD2 PRO 99 HD2 PRO 99 -15.593 0.754 -5.214 5 HB3 PRO 99 HB1 PRO 99 -19.002 2.621 -5.567 6 HG3 PRO 99 HG1 PRO 99 -18.258 0.657 -4.618 7 HD3 PRO 99 HD1 PRO 99 -16.868 0.535 -6.416 No H/Q in entry = 7 In of MODEL 12 1 HA GLU 100 HA GLU 100 -14.696 6.554 -4.569 2 HB2 GLU 100 HB2 GLU 100 -17.163 8.256 -4.282 3 HG2 GLU 100 HG2 GLU 100 -15.029 8.151 -6.403 4 H GLU 100 HN GLU 100 -17.373 5.996 -5.220 5 HB3 GLU 100 HB1 GLU 100 -15.513 8.844 -4.093 6 HG3 GLU 100 HG1 GLU 100 -16.706 7.635 -6.581 No H/Q in entry = 6 In of MODEL 12 1 HA ASN 101 HA ASN 101 -15.938 6.583 -0.127 2 HB2 ASN 101 HB2 ASN 101 -18.244 7.303 -0.053 3 HD21 ASN 101 HD21 ASN 101 -17.436 7.638 2.042 4 HD22 ASN 101 HD22 ASN 101 -17.785 6.543 3.340 5 H ASN 101 HN ASN 101 -17.502 6.012 -2.519 6 HB3 ASN 101 HB1 ASN 101 -18.807 5.700 -0.508 No H/Q in entry = 6 In of MODEL 12 1 HA LYS 102 HA LYS 102 -16.645 1.974 0.243 2 HB2 LYS 102 HB2 LYS 102 -18.176 1.828 -2.285 3 HG2 LYS 102 HG2 LYS 102 -18.571 0.564 0.412 4 HD2 LYS 102 HD2 LYS 102 -19.594 -0.554 -1.631 5 HE2 LYS 102 HE2 LYS 102 -21.284 1.940 -1.559 6 HZ3 LYS 102 HZ1 LYS 102 -21.558 -0.474 -3.262 7 HZ2 LYS 102 HZ2 LYS 102 -22.549 0.901 -3.293 8 HZ1 LYS 102 HZ3 LYS 102 -22.552 -0.119 -1.937 9 H LYS 102 HN LYS 102 -17.615 3.859 -1.634 10 HB3 LYS 102 HB1 LYS 102 -17.400 0.356 -1.714 11 HG3 LYS 102 HG1 LYS 102 -19.339 2.048 -0.156 12 HD3 LYS 102 HD1 LYS 102 -20.696 -0.103 -0.325 13 HE3 LYS 102 HE1 LYS 102 -20.205 1.448 -2.866 No H/Q in entry = 13 In of MODEL 12 1 HA TYR 103 HA TYR 103 -12.884 1.656 -2.582 2 HB2 TYR 103 HB2 TYR 103 -12.681 3.900 -3.383 3 HD1 TYR 103 HD1 TYR 103 -10.593 2.367 -3.888 4 HD2 TYR 103 HD2 TYR 103 -10.795 5.232 -0.751 5 HE1 TYR 103 HE1 TYR 103 -8.137 2.495 -3.845 6 HE2 TYR 103 HE2 TYR 103 -8.345 5.362 -0.686 7 HH TYR 103 HH TYR 103 -6.414 4.153 -1.349 8 H TYR 103 HN TYR 103 -14.800 3.570 -1.856 9 HB3 TYR 103 HB1 TYR 103 -12.749 4.564 -1.760 No H/Q in entry = 9 In of MODEL 12 1 HA LEU 104 HA LEU 104 -11.617 2.529 1.998 2 HB2 LEU 104 HB2 LEU 104 -13.342 4.100 2.610 3 HG LEU 104 HG LEU 104 -13.400 1.902 4.677 4 HD13 LEU 104 HD11 LEU 104 -11.112 2.479 4.144 5 HD12 LEU 104 HD12 LEU 104 -11.549 3.147 5.718 6 HD11 LEU 104 HD13 LEU 104 -11.481 4.196 4.302 7 HD22 LEU 104 HD21 LEU 104 -15.121 3.566 5.011 8 HD21 LEU 104 HD22 LEU 104 -13.948 4.866 4.804 9 HD23 LEU 104 HD23 LEU 104 -13.843 3.796 6.206 10 H LEU 104 HN LEU 104 -13.895 2.988 0.411 11 HB3 LEU 104 HB1 LEU 104 -14.527 2.817 2.718 No H/Q in entry = 11 In of MODEL 12 1 HA PRO 105 HA PRO 105 -13.807 -1.555 3.529 2 HB2 PRO 105 HB2 PRO 105 -15.578 -2.676 1.754 3 HG2 PRO 105 HG2 PRO 105 -15.572 -0.905 0.228 4 HD2 PRO 105 HD2 PRO 105 -15.012 1.279 0.859 5 HB3 PRO 105 HB1 PRO 105 -16.069 -1.636 3.097 6 HG3 PRO 105 HG1 PRO 105 -16.952 -0.472 1.260 7 HD3 PRO 105 HD1 PRO 105 -15.696 1.080 2.489 No H/Q in entry = 7 In of MODEL 12 1 HA GLU 106 HA GLU 106 -12.206 -3.534 -0.555 2 HB2 GLU 106 HB2 GLU 106 -11.364 -0.841 -1.623 3 HG2 GLU 106 HG2 GLU 106 -13.668 -2.590 -2.200 4 H GLU 106 HN GLU 106 -13.204 -0.992 0.089 5 HB3 GLU 106 HB1 GLU 106 -10.990 -2.393 -2.354 6 HG3 GLU 106 HG1 GLU 106 -13.494 -0.844 -2.352 No H/Q in entry = 6 In of MODEL 12 1 HA LEU 107 HA LEU 107 -8.023 -1.609 0.810 2 HB2 LEU 107 HB2 LEU 107 -9.398 0.439 2.550 3 HG LEU 107 HG LEU 107 -9.225 1.022 0.097 4 HD13 LEU 107 HD11 LEU 107 -9.435 2.707 1.848 5 HD12 LEU 107 HD12 LEU 107 -8.364 3.268 0.563 6 HD11 LEU 107 HD13 LEU 107 -7.688 2.690 2.086 7 HD21 LEU 107 HD21 LEU 107 -6.283 1.017 0.772 8 HD23 LEU 107 HD22 LEU 107 -6.997 1.661 -0.708 9 HD22 LEU 107 HD23 LEU 107 -7.096 -0.065 -0.359 10 H LEU 107 HN LEU 107 -10.675 -0.648 0.756 11 HB3 LEU 107 HB1 LEU 107 -7.672 0.150 2.521 No H/Q in entry = 11 In of MODEL 12 1 HA MET 108 HA MET 108 -9.091 -2.741 5.341 2 HB2 MET 108 HB2 MET 108 -11.094 -2.994 6.524 3 HG2 MET 108 HG2 MET 108 -12.590 -2.784 3.928 4 HE3 MET 108 HE1 MET 108 -14.415 -2.811 8.168 5 HE2 MET 108 HE2 MET 108 -12.683 -2.681 7.865 6 HE1 MET 108 HE3 MET 108 -13.535 -4.174 7.475 7 H MET 108 HN MET 108 -10.613 -1.604 3.235 8 HB3 MET 108 HB1 MET 108 -11.253 -1.514 5.591 9 HG3 MET 108 HG1 MET 108 -12.517 -4.179 5.005 No H/Q in entry = 9 In of MODEL 12 1 HA ALA 109 HA ALA 109 -10.859 -6.832 3.807 2 HB1 ALA 109 HB1 ALA 109 -12.568 -6.220 2.174 3 HB3 ALA 109 HB2 ALA 109 -11.606 -7.576 1.584 4 HB2 ALA 109 HB3 ALA 109 -11.324 -5.950 0.954 5 H ALA 109 HN ALA 109 -10.995 -4.201 2.739 No H/Q in entry = 5 In of MODEL 12 1 HA GLU 110 HA GLU 110 -7.142 -7.295 0.878 2 HB2 GLU 110 HB2 GLU 110 -6.730 -4.311 0.569 3 HG2 GLU 110 HG2 GLU 110 -7.361 -6.405 -1.500 4 H GLU 110 HN GLU 110 -8.926 -5.125 1.369 5 HB3 GLU 110 HB1 GLU 110 -5.614 -5.534 -0.016 6 HG3 GLU 110 HG1 GLU 110 -8.459 -5.150 -0.926 No H/Q in entry = 6 In of MODEL 12 1 HA LYS 111 HA LYS 111 -4.655 -4.881 4.241 2 HB2 LYS 111 HB2 LYS 111 -5.727 -2.909 4.821 3 HG2 LYS 111 HG2 LYS 111 -6.168 -4.691 7.204 4 HD2 LYS 111 HD2 LYS 111 -5.916 -1.694 7.158 5 HE2 LYS 111 HE2 LYS 111 -5.300 -2.590 9.269 6 HZ3 LYS 111 HZ1 LYS 111 -6.914 -4.024 10.498 7 HZ2 LYS 111 HZ2 LYS 111 -6.130 -4.787 9.205 8 HZ1 LYS 111 HZ3 LYS 111 -7.737 -4.270 9.033 9 H LYS 111 HN LYS 111 -7.181 -4.571 3.084 10 HB3 LYS 111 HB1 LYS 111 -7.242 -3.720 5.191 11 HG3 LYS 111 HG1 LYS 111 -4.731 -3.725 6.853 12 HD3 LYS 111 HD1 LYS 111 -7.469 -2.524 7.182 13 HE3 LYS 111 HE1 LYS 111 -6.931 -1.941 9.425 No H/Q in entry = 13 In of MODEL 12 1 HA ASP 112 HA ASP 112 -6.494 -7.583 7.521 2 HB2 ASP 112 HB2 ASP 112 -9.256 -7.318 6.491 3 H ASP 112 HN ASP 112 -7.761 -6.257 5.316 4 HB3 ASP 112 HB1 ASP 112 -8.909 -8.733 7.483 No H/Q in entry = 4 In of MODEL 12 1 HA SER 113 HA SER 113 -6.572 -11.228 4.789 2 HB2 SER 113 HB2 SER 113 -6.924 -9.749 2.175 3 HG SER 113 HG SER 113 -8.828 -9.604 3.195 4 H SER 113 HN SER 113 -6.718 -8.343 4.269 5 HB3 SER 113 HB1 SER 113 -6.923 -11.501 2.367 No H/Q in entry = 5 In of MODEL 12 1 HA LEU 114 HA LEU 114 -2.652 -9.849 2.405 2 HB2 LEU 114 HB2 LEU 114 -3.284 -7.332 2.616 3 HG LEU 114 HG LEU 114 -0.448 -8.295 2.331 4 HD11 LEU 114 HD11 LEU 114 -2.442 -7.106 0.401 5 HD13 LEU 114 HD12 LEU 114 -1.979 -8.804 0.506 6 HD12 LEU 114 HD13 LEU 114 -0.797 -7.596 -0.001 7 HD21 LEU 114 HD21 LEU 114 -0.407 -6.045 3.321 8 HD23 LEU 114 HD22 LEU 114 -1.419 -5.466 2.001 9 HD22 LEU 114 HD23 LEU 114 0.206 -6.067 1.668 10 H LEU 114 HN LEU 114 -4.668 -8.517 3.905 11 HB3 LEU 114 HB1 LEU 114 -2.193 -7.346 3.985 No H/Q in entry = 11 In of MODEL 12 1 HA ASP 115 HA ASP 115 -0.501 -11.601 5.736 2 HB2 ASP 115 HB2 ASP 115 0.266 -12.866 3.693 3 H ASP 115 HN ASP 115 -0.655 -10.607 3.042 4 HB3 ASP 115 HB1 ASP 115 1.629 -11.757 3.592 No H/Q in entry = 4 In of MODEL 12 1 HA PRO 116 HA PRO 116 1.526 -8.186 7.606 2 HB2 PRO 116 HB2 PRO 116 2.739 -9.496 9.676 3 HG2 PRO 116 HG2 PRO 116 2.413 -11.663 8.885 4 HD2 PRO 116 HD2 PRO 116 0.746 -12.183 7.337 5 HB3 PRO 116 HB1 PRO 116 1.011 -9.120 9.632 6 HG3 PRO 116 HG1 PRO 116 0.960 -11.446 9.887 7 HD3 PRO 116 HD1 PRO 116 -0.396 -11.016 8.036 No H/Q in entry = 7 In of MODEL 12 1 HA SER 117 HA SER 117 5.932 -10.050 7.054 2 HB2 SER 117 HB2 SER 117 6.651 -11.401 5.077 3 HG SER 117 HG SER 117 3.933 -12.065 4.737 4 H SER 117 HN SER 117 3.334 -10.869 6.358 5 HB3 SER 117 HB1 SER 117 5.570 -12.263 6.168 No H/Q in entry = 5 In of MODEL 12 1 HA PHE 118 HA PHE 118 5.710 -7.168 3.457 2 HB2 PHE 118 HB2 PHE 118 2.718 -7.262 2.992 3 HD1 PHE 118 HD1 PHE 118 5.019 -7.564 0.271 4 HD2 PHE 118 HD2 PHE 118 2.770 -9.771 3.129 5 HE1 PHE 118 HE1 PHE 118 5.234 -9.577 -1.118 6 HE2 PHE 118 HE2 PHE 118 2.981 -11.787 1.751 7 HZ PHE 118 HZ PHE 118 4.214 -11.700 -0.384 8 H PHE 118 HN PHE 118 3.682 -8.806 4.782 9 HB3 PHE 118 HB1 PHE 118 3.906 -6.440 1.987 No H/Q in entry = 9 In of MODEL 12 1 HA THR 119 HA THR 119 4.564 -4.749 7.083 2 HB THR 119 HB THR 119 7.269 -3.739 6.195 3 HG1 THR 119 HG1 THR 119 6.530 -5.572 8.259 4 HG23 THR 119 HG21 THR 119 7.379 -2.720 8.416 5 HG22 THR 119 HG22 THR 119 5.752 -3.303 8.774 6 HG21 THR 119 HG23 THR 119 5.999 -2.099 7.507 7 H THR 119 HN THR 119 6.282 -5.939 5.263 No H/Q in entry = 7 In of MODEL 12 1 HA HIS 120 HA HIS 120 4.859 -0.736 4.744 2 HB2 HIS 120 HB2 HIS 120 6.281 -1.770 2.299 3 HD1 HIS 120 HD1 HIS 120 6.698 0.593 5.269 4 HD2 HIS 120 HD2 HIS 120 8.931 -1.848 2.743 5 HE1 HIS 120 HE1 HIS 120 9.059 0.692 6.135 6 HE2 HIS 120 HE2 HIS 120 10.377 -0.881 4.664 7 H HIS 120 HN HIS 120 6.083 -3.256 4.214 8 HB3 HIS 120 HB1 HIS 120 5.773 -0.100 2.527 No H/Q in entry = 8 In of MODEL 12 1 HA ALA 121 HA ALA 121 2.005 -2.244 1.153 2 HB1 ALA 121 HB1 ALA 121 1.349 -4.456 0.573 3 HB3 ALA 121 HB2 ALA 121 2.173 -5.131 1.977 4 HB2 ALA 121 HB3 ALA 121 3.111 -4.442 0.653 5 H ALA 121 HN ALA 121 4.151 -3.404 2.533 No H/Q in entry = 5 In of MODEL 12 1 HA MET 122 HA MET 122 -0.649 -3.825 4.754 2 HB2 MET 122 HB2 MET 122 1.822 -4.421 6.331 3 HG2 MET 122 HG2 MET 122 0.411 -6.076 4.876 4 HE3 MET 122 HE1 MET 122 -2.003 -4.202 6.059 5 HE2 MET 122 HE2 MET 122 -3.316 -5.380 6.014 6 HE1 MET 122 HE3 MET 122 -2.165 -5.289 4.680 7 H MET 122 HN MET 122 2.140 -3.941 4.197 8 HB3 MET 122 HB1 MET 122 0.294 -4.205 7.172 9 HG3 MET 122 HG1 MET 122 1.136 -6.569 6.405 No H/Q in entry = 9 In of MODEL 12 1 HA GLN 123 HA GLN 123 0.724 -0.086 7.287 2 HB2 GLN 123 HB2 GLN 123 3.035 -0.091 7.601 3 HG2 GLN 123 HG2 GLN 123 2.557 2.300 5.861 4 HE21 GLN 123 HE21 GLN 123 4.237 3.736 7.818 5 HE22 GLN 123 HE22 GLN 123 5.871 3.383 7.363 6 H GLN 123 HN GLN 123 2.107 -1.807 5.524 7 HB3 GLN 123 HB1 GLN 123 3.369 -0.089 5.878 8 HG3 GLN 123 HG1 GLN 123 2.593 2.223 7.622 No H/Q in entry = 8 In of MODEL 12 1 HA LEU 124 HA LEU 124 0.397 2.761 3.635 2 HB2 LEU 124 HB2 LEU 124 0.781 0.651 1.504 3 HG LEU 124 HG LEU 124 2.852 1.590 2.659 4 HD12 LEU 124 HD11 LEU 124 4.048 1.906 0.530 5 HD11 LEU 124 HD12 LEU 124 2.501 2.018 -0.310 6 HD13 LEU 124 HD13 LEU 124 2.967 0.513 0.485 7 HD21 LEU 124 HD21 LEU 124 1.994 4.069 1.170 8 HD23 LEU 124 HD22 LEU 124 3.553 3.830 1.959 9 HD22 LEU 124 HD23 LEU 124 2.075 3.880 2.921 10 H LEU 124 HN LEU 124 1.465 0.180 3.827 11 HB3 LEU 124 HB1 LEU 124 0.341 2.314 1.157 No H/Q in entry = 11 In of MODEL 12 1 HA LEU 125 HA LEU 125 -3.633 0.387 2.429 2 HB2 LEU 125 HB2 LEU 125 -2.568 -1.978 3.947 3 HG LEU 125 HG LEU 125 -2.418 -1.969 1.440 4 HD11 LEU 125 HD11 LEU 125 -2.397 -4.009 2.799 5 HD13 LEU 125 HD12 LEU 125 -3.196 -4.263 1.249 6 HD12 LEU 125 HD13 LEU 125 -4.158 -4.074 2.711 7 HD23 LEU 125 HD21 LEU 125 -4.487 -2.414 0.200 8 HD22 LEU 125 HD22 LEU 125 -4.529 -0.826 0.965 9 HD21 LEU 125 HD23 LEU 125 -5.423 -2.172 1.677 10 H LEU 125 HN LEU 125 -1.064 -0.410 3.381 11 HB3 LEU 125 HB1 LEU 125 -4.299 -1.760 3.790 No H/Q in entry = 11 In of MODEL 12 1 HA THR 126 HA THR 126 -4.453 0.573 7.067 2 HB THR 126 HB THR 126 -1.571 1.130 7.799 3 HG1 THR 126 HG1 THR 126 -1.909 -1.055 7.415 4 HG21 THR 126 HG21 THR 126 -4.006 0.931 9.576 5 HG23 THR 126 HG22 THR 126 -3.062 2.390 9.257 6 HG22 THR 126 HG23 THR 126 -2.338 1.042 10.136 7 H THR 126 HN THR 126 -2.097 0.193 5.558 No H/Q in entry = 7 In of MODEL 12 1 HA ALA 127 HA ALA 127 -2.777 5.068 7.223 2 HB2 ALA 127 HB1 ALA 127 -1.307 6.252 5.714 3 HB3 ALA 127 HB2 ALA 127 -1.233 4.844 4.654 4 HB1 ALA 127 HB3 ALA 127 -0.554 4.760 6.281 5 H ALA 127 HN ALA 127 -1.911 2.756 5.938 No H/Q in entry = 5 In of MODEL 12 1 HA GLU 128 HA GLU 128 -4.916 6.170 3.081 2 HB2 GLU 128 HB2 GLU 128 -4.037 4.316 1.617 3 HG2 GLU 128 HG2 GLU 128 -5.971 4.217 0.056 4 H GLU 128 HN GLU 128 -3.452 3.928 3.912 5 HB3 GLU 128 HB1 GLU 128 -5.380 3.330 2.158 6 HG3 GLU 128 HG1 GLU 128 -6.919 5.076 1.263 No H/Q in entry = 6 In of MODEL 12 1 HA ILE 129 HA ILE 129 -8.643 3.711 4.762 2 HB ILE 129 HB ILE 129 -6.904 2.160 6.674 3 HD13 ILE 129 HD11 ILE 129 -7.790 -0.886 4.733 4 HD12 ILE 129 HD12 ILE 129 -8.519 -0.409 6.268 5 HD11 ILE 129 HD13 ILE 129 -6.773 -0.282 6.039 6 H ILE 129 HN ILE 129 -5.871 3.241 4.770 No H/Q in entry = 6 In of MODEL 12 1 HA GLU 130 HA GLU 130 -7.676 5.930 8.979 2 HB2 GLU 130 HB2 GLU 130 -4.868 6.566 8.067 3 HG2 GLU 130 HG2 GLU 130 -5.838 4.807 10.303 4 H GLU 130 HN GLU 130 -6.100 4.629 7.047 5 HB3 GLU 130 HB1 GLU 130 -5.613 7.151 9.547 6 HG3 GLU 130 HG1 GLU 130 -4.971 4.295 8.856 No H/Q in entry = 6 In of MODEL 12 1 HA LYS 131 HA LYS 131 -6.732 9.690 6.049 2 HB2 LYS 131 HB2 LYS 131 -5.272 8.706 4.432 3 HG2 LYS 131 HG2 LYS 131 -7.654 9.814 2.972 4 HD2 LYS 131 HD2 LYS 131 -4.805 9.649 2.031 5 HE2 LYS 131 HE2 LYS 131 -7.429 10.214 0.686 6 HZ3 LYS 131 HZ1 LYS 131 -4.790 9.970 -0.639 7 HZ2 LYS 131 HZ2 LYS 131 -6.307 10.174 -1.374 8 HZ1 LYS 131 HZ3 LYS 131 -5.924 8.707 -0.612 9 H LYS 131 HN LYS 131 -6.304 6.936 5.940 10 HB3 LYS 131 HB1 LYS 131 -6.573 7.738 3.762 11 HG3 LYS 131 HG1 LYS 131 -6.249 10.719 3.548 12 HD3 LYS 131 HD1 LYS 131 -5.987 8.396 1.665 13 HE3 LYS 131 HE1 LYS 131 -6.038 11.286 0.846 No H/Q in entry = 13 In of MODEL 12 1 HA ILE 132 HA ILE 132 -10.870 8.909 3.923 2 HB ILE 132 HB ILE 132 -11.200 5.961 4.431 3 HD12 ILE 132 HD11 ILE 132 -11.519 5.556 1.256 4 HD11 ILE 132 HD12 ILE 132 -10.727 4.442 2.372 5 HD13 ILE 132 HD13 ILE 132 -9.823 5.129 1.023 6 H ILE 132 HN ILE 132 -8.781 7.121 4.668 No H/Q in entry = 6 In of MODEL 12 1 HA GLN 133 HA GLN 133 -12.947 7.223 7.789 2 HB2 GLN 133 HB2 GLN 133 -10.465 5.933 8.876 3 HG2 GLN 133 HG2 GLN 133 -13.194 4.911 8.139 4 HE21 GLN 133 HE21 GLN 133 -11.988 2.354 7.627 5 HE22 GLN 133 HE22 GLN 133 -11.765 1.588 9.163 6 H GLN 133 HN GLN 133 -10.340 6.791 6.713 7 HB3 GLN 133 HB1 GLN 133 -11.897 6.152 9.874 8 HG3 GLN 133 HG1 GLN 133 -11.666 4.558 7.335 No H/Q in entry = 8 In of MODEL 12 1 HA LYS 134 HA LYS 134 -10.625 10.265 10.558 2 HB2 LYS 134 HB2 LYS 134 -8.803 11.773 10.093 3 HG2 LYS 134 HG2 LYS 134 -8.633 10.605 7.327 4 HD2 LYS 134 HD2 LYS 134 -7.196 12.913 8.628 5 HE2 LYS 134 HE2 LYS 134 -5.926 12.997 6.536 6 HZ1 LYS 134 HZ1 LYS 134 -8.869 13.254 6.158 7 HZ3 LYS 134 HZ2 LYS 134 -7.701 13.862 5.089 8 HZ2 LYS 134 HZ3 LYS 134 -7.800 14.469 6.669 9 H LYS 134 HN LYS 134 -9.962 8.968 8.100 10 HB3 LYS 134 HB1 LYS 134 -8.302 10.146 9.652 11 HG3 LYS 134 HG1 LYS 134 -9.341 12.177 7.695 12 HD3 LYS 134 HD1 LYS 134 -6.492 11.344 8.229 13 HE3 LYS 134 HE1 LYS 134 -6.957 11.736 5.861 No H/Q in entry = 13 In of MODEL 12 1 HA3 GLY 135 HA2 GLY 135 -13.191 12.160 6.460 2 H GLY 135 HN GLY 135 -11.460 10.775 7.230 3 HA2 GLY 135 HA1 GLY 135 -13.143 13.031 7.987 No H/Q in entry = 3 In of MODEL 12 1 H1 GLY 95 HT2 GLY 95 11.492 -3.136 8.202 2 H2 GLY 95 HT1 GLY 95 13.073 -2.702 8.639 3 H3 GLY 95 HT3 GLY 95 12.742 -4.276 8.110 4 HA2 GLY 95 HA2 GLY 95 13.023 -4.209 10.510 5 HA3 GLY 95 HA1 GLY 95 11.397 -4.700 10.052 No H/Q in entry = 5 In of MODEL 12 1 HA ALA 96 HA ALA 96 10.492 -1.595 13.042 2 HB3 ALA 96 HB1 ALA 96 11.881 -2.711 14.725 3 HB2 ALA 96 HB2 ALA 96 11.728 -0.983 15.043 4 HB1 ALA 96 HB3 ALA 96 13.214 -1.624 14.339 5 H ALA 96 HN ALA 96 12.774 -3.153 12.383 No H/Q in entry = 5 In of MODEL 12 1 HA MET 97 HA MET 97 12.697 1.820 11.150 2 HB2 MET 97 HB2 MET 97 14.692 2.999 11.831 3 HG2 MET 97 HG2 MET 97 16.205 1.676 13.521 4 HE3 MET 97 HE1 MET 97 18.781 1.186 12.902 5 HE2 MET 97 HE2 MET 97 19.368 1.081 11.243 6 HE1 MET 97 HE3 MET 97 18.265 -0.147 11.865 7 H MET 97 HN MET 97 13.780 -0.768 12.000 8 HB3 MET 97 HB1 MET 97 14.017 2.161 13.217 9 HG3 MET 97 HG1 MET 97 15.759 0.312 12.500 No H/Q in entry = 9 In of MODEL 12 1 HA GLU 98 HA GLU 98 14.740 0.392 7.585 2 HB2 GLU 98 HB2 GLU 98 13.526 1.046 5.629 3 HG2 GLU 98 HG2 GLU 98 13.281 3.481 6.382 4 H GLU 98 HN GLU 98 12.921 2.103 9.082 5 HB3 GLU 98 HB1 GLU 98 12.348 0.689 6.882 6 HG3 GLU 98 HG1 GLU 98 12.003 2.755 5.412 No H/Q in entry = 6 In of MODEL 12 1 HA PRO 99 HA PRO 99 17.536 3.764 6.653 2 HB2 PRO 99 HB2 PRO 99 18.444 2.905 4.236 3 HG2 PRO 99 HG2 PRO 99 17.026 1.146 3.829 4 HD2 PRO 99 HD2 PRO 99 15.561 0.425 5.401 5 HB3 PRO 99 HB1 PRO 99 19.004 2.230 5.770 6 HG3 PRO 99 HG1 PRO 99 18.227 0.284 4.806 7 HD3 PRO 99 HD1 PRO 99 16.830 0.174 6.603 No H/Q in entry = 7 In of MODEL 12 1 HA GLU 100 HA GLU 100 14.772 6.249 4.797 2 HB2 GLU 100 HB2 GLU 100 17.274 7.905 4.525 3 HG2 GLU 100 HG2 GLU 100 15.139 7.818 6.651 4 H GLU 100 HN GLU 100 17.436 5.633 5.451 5 HB3 GLU 100 HB1 GLU 100 15.636 8.527 4.349 6 HG3 GLU 100 HG1 GLU 100 16.803 7.262 6.820 No H/Q in entry = 6 In of MODEL 12 1 HA ASN 101 HA ASN 101 16.024 6.285 0.359 2 HB2 ASN 101 HB2 ASN 101 18.335 6.965 0.293 3 HD21 ASN 101 HD21 ASN 101 17.559 7.328 -1.804 4 HD22 ASN 101 HD22 ASN 101 17.915 6.239 -3.098 5 H ASN 101 HN ASN 101 17.574 5.675 2.754 6 HB3 ASN 101 HB1 ASN 101 18.872 5.350 0.743 No H/Q in entry = 6 In of MODEL 12 1 HA LYS 102 HA LYS 102 16.643 1.665 -0.048 2 HB2 LYS 102 HB2 LYS 102 18.164 1.467 2.483 3 HG2 LYS 102 HG2 LYS 102 18.547 0.223 -0.226 4 HD2 LYS 102 HD2 LYS 102 19.542 -0.931 1.808 5 HE2 LYS 102 HE2 LYS 102 21.277 1.535 1.766 6 HZ3 LYS 102 HZ1 LYS 102 21.512 -0.915 3.424 7 HZ2 LYS 102 HZ2 LYS 102 22.523 0.443 3.493 8 HZ1 LYS 102 HZ3 LYS 102 22.514 -0.543 2.111 9 H LYS 102 HN LYS 102 17.640 3.517 1.842 10 HB3 LYS 102 HB1 LYS 102 17.365 0.014 1.892 11 HG3 LYS 102 HG1 LYS 102 19.340 1.689 0.357 12 HD3 LYS 102 HD1 LYS 102 20.655 -0.489 0.510 13 HE3 LYS 102 HE1 LYS 102 20.192 1.044 3.068 No H/Q in entry = 13 In of MODEL 12 1 HA TYR 103 HA TYR 103 12.869 1.398 2.771 2 HB2 TYR 103 HB2 TYR 103 12.712 3.641 3.586 3 HD1 TYR 103 HD1 TYR 103 10.595 2.143 4.081 4 HD2 TYR 103 HD2 TYR 103 10.860 5.019 0.968 5 HE1 TYR 103 HE1 TYR 103 8.142 2.315 4.041 6 HE2 TYR 103 HE2 TYR 103 8.410 5.198 0.895 7 HH TYR 103 HH TYR 103 6.454 4.030 1.543 8 H TYR 103 HN TYR 103 14.823 3.277 2.064 9 HB3 TYR 103 HB1 TYR 103 12.788 4.312 1.967 No H/Q in entry = 9 In of MODEL 12 1 HA LEU 104 HA LEU 104 11.629 2.327 -1.806 2 HB2 LEU 104 HB2 LEU 104 13.386 3.868 -2.400 3 HG LEU 104 HG LEU 104 13.403 1.692 -4.486 4 HD13 LEU 104 HD11 LEU 104 11.121 2.305 -3.949 5 HD12 LEU 104 HD12 LEU 104 11.575 2.972 -5.518 6 HD11 LEU 104 HD13 LEU 104 11.524 4.015 -4.097 7 HD22 LEU 104 HD21 LEU 104 15.151 3.322 -4.813 8 HD21 LEU 104 HD22 LEU 104 14.006 4.642 -4.592 9 HD23 LEU 104 HD23 LEU 104 13.873 3.587 -6.002 10 H LEU 104 HN LEU 104 13.911 2.735 -0.211 11 HB3 LEU 104 HB1 LEU 104 14.546 2.563 -2.518 No H/Q in entry = 11 In of MODEL 12 1 HA PRO 105 HA PRO 105 13.744 -1.781 -3.361 2 HB2 PRO 105 HB2 PRO 105 15.496 -2.953 -1.600 3 HG2 PRO 105 HG2 PRO 105 15.515 -1.194 -0.057 4 HD2 PRO 105 HD2 PRO 105 15.001 1.008 -0.673 5 HB3 PRO 105 HB1 PRO 105 16.002 -1.904 -2.932 6 HG3 PRO 105 HG1 PRO 105 16.906 -0.781 -1.079 7 HD3 PRO 105 HD1 PRO 105 15.680 0.801 -2.304 No H/Q in entry = 7 In of MODEL 12 1 HA GLU 106 HA GLU 106 12.103 -3.768 0.700 2 HB2 GLU 106 HB2 GLU 106 11.315 -1.065 1.786 3 HG2 GLU 106 HG2 GLU 106 13.580 -2.862 2.368 4 H GLU 106 HN GLU 106 13.148 -1.238 0.081 5 HB3 GLU 106 HB1 GLU 106 10.903 -2.612 2.506 6 HG3 GLU 106 HG1 GLU 106 13.437 -1.113 2.529 No H/Q in entry = 6 In of MODEL 12 1 HA LEU 107 HA LEU 107 7.960 -1.754 -0.652 2 HB2 LEU 107 HB2 LEU 107 9.371 0.287 -2.374 3 HG LEU 107 HG LEU 107 9.209 0.852 0.086 4 HD13 LEU 107 HD11 LEU 107 9.447 2.546 -1.657 5 HD12 LEU 107 HD12 LEU 107 8.390 3.114 -0.365 6 HD11 LEU 107 HD13 LEU 107 7.699 2.562 -1.889 7 HD21 LEU 107 HD21 LEU 107 6.270 0.912 -0.591 8 HD23 LEU 107 HD22 LEU 107 6.994 1.532 0.894 9 HD22 LEU 107 HD23 LEU 107 7.059 -0.194 0.534 10 H LEU 107 HN LEU 107 10.632 -0.840 -0.593 11 HB3 LEU 107 HB1 LEU 107 7.639 0.028 -2.347 No H/Q in entry = 11 In of MODEL 12 1 HA MET 108 HA MET 108 9.010 -2.863 -5.189 2 HB2 MET 108 HB2 MET 108 11.010 -3.150 -6.371 3 HG2 MET 108 HG2 MET 108 12.500 -2.989 -3.770 4 HE3 MET 108 HE1 MET 108 14.329 -3.011 -8.006 5 HE2 MET 108 HE2 MET 108 12.600 -2.848 -7.700 6 HE1 MET 108 HE3 MET 108 13.422 -4.363 -7.325 7 H MET 108 HN MET 108 10.553 -1.775 -3.073 8 HB3 MET 108 HB1 MET 108 11.195 -1.681 -5.429 9 HG3 MET 108 HG1 MET 108 12.406 -4.373 -4.858 No H/Q in entry = 9 In of MODEL 12 1 HA ALA 109 HA ALA 109 10.696 -7.002 -3.684 2 HB1 ALA 109 HB1 ALA 109 12.418 -6.435 -2.047 3 HB2 ALA 109 HB2 ALA 109 11.426 -7.771 -1.463 4 HB3 ALA 109 HB3 ALA 109 11.179 -6.145 -0.823 5 H ALA 109 HN ALA 109 10.881 -4.383 -2.599 No H/Q in entry = 5 In of MODEL 12 1 HA GLU 110 HA GLU 110 6.968 -7.416 -0.763 2 HB2 GLU 110 HB2 GLU 110 6.608 -4.429 -0.435 3 HG2 GLU 110 HG2 GLU 110 7.203 -6.548 1.621 4 H GLU 110 HN GLU 110 8.793 -5.273 -1.236 5 HB3 GLU 110 HB1 GLU 110 5.472 -5.636 0.143 6 HG3 GLU 110 HG1 GLU 110 8.323 -5.308 1.054 No H/Q in entry = 6 In of MODEL 12 1 HA LYS 111 HA LYS 111 4.533 -4.931 -4.104 2 HB2 LYS 111 HB2 LYS 111 5.635 -2.976 -4.675 3 HG2 LYS 111 HG2 LYS 111 6.055 -4.747 -7.071 4 HD2 LYS 111 HD2 LYS 111 5.855 -1.746 -7.004 5 HE2 LYS 111 HE2 LYS 111 5.231 -2.616 -9.126 6 HZ3 LYS 111 HZ1 LYS 111 6.847 -4.053 -10.366 7 HZ2 LYS 111 HZ2 LYS 111 6.013 -4.816 -9.112 8 HZ1 LYS 111 HZ3 LYS 111 7.627 -4.353 -8.889 9 H LYS 111 HN LYS 111 7.064 -4.681 -2.948 10 HB3 LYS 111 HB1 LYS 111 7.138 -3.808 -5.048 11 HG3 LYS 111 HG1 LYS 111 4.632 -3.758 -6.720 12 HD3 LYS 111 HD1 LYS 111 7.393 -2.606 -7.029 13 HE3 LYS 111 HE1 LYS 111 6.870 -1.988 -9.271 No H/Q in entry = 13 In of MODEL 12 1 HA ASP 112 HA ASP 112 6.323 -7.645 -7.406 2 HB2 ASP 112 HB2 ASP 112 9.084 -7.428 -6.373 3 H ASP 112 HN ASP 112 7.610 -6.361 -5.188 4 HB3 ASP 112 HB1 ASP 112 8.721 -8.842 -7.361 No H/Q in entry = 4 In of MODEL 12 1 HA SER 113 HA SER 113 6.332 -11.309 -4.698 2 HB2 SER 113 HB2 SER 113 6.696 -9.853 -2.073 3 HG SER 113 HG SER 113 8.602 -9.737 -3.127 4 H SER 113 HN SER 113 6.528 -8.432 -4.157 5 HB3 SER 113 HB1 SER 113 6.667 -11.602 -2.274 No H/Q in entry = 5 In of MODEL 12 1 HA LEU 114 HA LEU 114 2.428 -9.871 -2.316 2 HB2 LEU 114 HB2 LEU 114 3.116 -7.359 -2.510 3 HG LEU 114 HG LEU 114 0.263 -8.275 -2.231 4 HD11 LEU 114 HD11 LEU 114 2.275 -7.142 -0.290 5 HD13 LEU 114 HD12 LEU 114 1.784 -8.830 -0.415 6 HD12 LEU 114 HD13 LEU 114 0.621 -7.610 0.103 7 HD21 LEU 114 HD21 LEU 114 0.258 -6.017 -3.200 8 HD23 LEU 114 HD22 LEU 114 1.282 -5.466 -1.879 9 HD22 LEU 114 HD23 LEU 114 -0.351 -6.043 -1.547 10 H LEU 114 HN LEU 114 4.473 -8.577 -3.808 11 HB3 LEU 114 HB1 LEU 114 2.024 -7.349 -3.879 No H/Q in entry = 11 In of MODEL 12 1 HA ASP 115 HA ASP 115 0.252 -11.551 -5.666 2 HB2 ASP 115 HB2 ASP 115 -0.534 -12.822 -3.632 3 H ASP 115 HN ASP 115 0.418 -10.578 -2.960 4 HB3 ASP 115 HB1 ASP 115 -1.880 -11.694 -3.526 No H/Q in entry = 4 In of MODEL 12 1 HA PRO 116 HA PRO 116 -1.709 -8.094 -7.507 2 HB2 PRO 116 HB2 PRO 116 -2.944 -9.366 -9.589 3 HG2 PRO 116 HG2 PRO 116 -2.660 -11.548 -8.818 4 HD2 PRO 116 HD2 PRO 116 -1.003 -12.109 -7.272 5 HB3 PRO 116 HB1 PRO 116 -1.210 -9.023 -9.538 6 HG3 PRO 116 HG1 PRO 116 -1.200 -11.347 -9.813 7 HD3 PRO 116 HD1 PRO 116 0.158 -10.951 -7.956 No H/Q in entry = 7 In of MODEL 12 1 HA SER 117 HA SER 117 -6.152 -9.875 -6.969 2 HB2 SER 117 HB2 SER 117 -6.897 -11.238 -5.007 3 HG SER 117 HG SER 117 -4.182 -11.942 -4.677 4 H SER 117 HN SER 117 -3.567 -10.745 -6.283 5 HB3 SER 117 HB1 SER 117 -5.833 -12.105 -6.110 No H/Q in entry = 5 In of MODEL 12 1 HA PHE 118 HA PHE 118 -5.875 -7.028 -3.357 2 HB2 PHE 118 HB2 PHE 118 -2.885 -7.184 -2.885 3 HD1 PHE 118 HD1 PHE 118 -5.205 -7.463 -0.176 4 HD2 PHE 118 HD2 PHE 118 -2.982 -9.685 -3.042 5 HE1 PHE 118 HE1 PHE 118 -5.459 -9.484 1.197 6 HE2 PHE 118 HE2 PHE 118 -3.233 -11.707 -1.681 7 HZ PHE 118 HZ PHE 118 -4.468 -11.614 0.452 8 H PHE 118 HN PHE 118 -3.873 -8.691 -4.690 9 HB3 PHE 118 HB1 PHE 118 -4.056 -6.346 -1.876 No H/Q in entry = 9 In of MODEL 12 1 HA THR 119 HA THR 119 -4.676 -4.599 -6.962 2 HB THR 119 HB THR 119 -7.356 -3.539 -6.060 3 HG1 THR 119 HG1 THR 119 -6.658 -5.392 -8.113 4 HG23 THR 119 HG21 THR 119 -7.452 -2.513 -8.276 5 HG22 THR 119 HG22 THR 119 -5.837 -3.125 -8.636 6 HG21 THR 119 HG23 THR 119 -6.061 -1.920 -7.366 7 H THR 119 HN THR 119 -6.416 -5.770 -5.152 No H/Q in entry = 7 In of MODEL 12 1 HA HIS 120 HA HIS 120 -4.900 -0.600 -4.589 2 HB2 HIS 120 HB2 HIS 120 -6.349 -1.627 -2.154 3 HD1 HIS 120 HD1 HIS 120 -6.717 0.772 -5.107 4 HD2 HIS 120 HD2 HIS 120 -9.000 -1.647 -2.602 5 HE1 HIS 120 HE1 HIS 120 -9.074 0.912 -5.983 6 HE2 HIS 120 HE2 HIS 120 -10.424 -0.643 -4.522 7 H HIS 120 HN HIS 120 -6.164 -3.104 -4.078 8 HB3 HIS 120 HB1 HIS 120 -5.809 0.035 -2.368 No H/Q in entry = 8 In of MODEL 12 1 HA ALA 121 HA ALA 121 -2.083 -2.192 -1.008 2 HB3 ALA 121 HB1 ALA 121 -1.471 -4.420 -0.443 3 HB2 ALA 121 HB2 ALA 121 -2.304 -5.067 -1.857 4 HB1 ALA 121 HB3 ALA 121 -3.233 -4.371 -0.530 5 H ALA 121 HN ALA 121 -4.249 -3.300 -2.401 No H/Q in entry = 5 In of MODEL 12 1 HA MET 122 HA MET 122 0.547 -3.796 -4.619 2 HB2 MET 122 HB2 MET 122 -1.933 -4.332 -6.201 3 HG2 MET 122 HG2 MET 122 -0.559 -6.025 -4.759 4 HE3 MET 122 HE1 MET 122 1.896 -4.189 -5.931 5 HE2 MET 122 HE2 MET 122 3.185 -5.391 -5.897 6 HE1 MET 122 HE3 MET 122 2.042 -5.288 -4.558 7 H MET 122 HN MET 122 -2.240 -3.872 -4.060 8 HB3 MET 122 HB1 MET 122 -0.399 -4.137 -7.043 9 HG3 MET 122 HG1 MET 122 -1.288 -6.489 -6.295 No H/Q in entry = 9 In of MODEL 12 1 HA GLN 123 HA GLN 123 -0.751 -0.010 -7.122 2 HB2 GLN 123 HB2 GLN 123 -3.062 0.027 -7.436 3 HG2 GLN 123 HG2 GLN 123 -2.545 2.398 -5.676 4 HE21 GLN 123 HE21 GLN 123 -4.193 3.880 -7.625 5 HE22 GLN 123 HE22 GLN 123 -5.834 3.555 -7.178 6 H GLN 123 HN GLN 123 -2.168 -1.718 -5.369 7 HB3 GLN 123 HB1 GLN 123 -3.393 0.027 -5.715 8 HG3 GLN 123 HG1 GLN 123 -2.571 2.335 -7.438 No H/Q in entry = 8 In of MODEL 12 1 HA LEU 124 HA LEU 124 -0.372 2.794 -3.449 2 HB2 LEU 124 HB2 LEU 124 -0.802 0.685 -1.329 3 HG LEU 124 HG LEU 124 -2.851 1.669 -2.484 4 HD12 LEU 124 HD11 LEU 124 -4.044 1.988 -0.360 5 HD11 LEU 124 HD12 LEU 124 -2.498 2.068 0.486 6 HD13 LEU 124 HD13 LEU 124 -2.987 0.579 -0.324 7 HD21 LEU 124 HD21 LEU 124 -1.951 4.122 -0.974 8 HD23 LEU 124 HD22 LEU 124 -3.512 3.914 -1.766 9 HD22 LEU 124 HD23 LEU 124 -2.036 3.949 -2.728 10 H LEU 124 HN LEU 124 -1.499 0.242 -3.666 11 HB3 LEU 124 HB1 LEU 124 -0.331 2.337 -0.976 No H/Q in entry = 11 In of MODEL 12 1 HA LEU 125 HA LEU 125 3.607 0.338 -2.262 2 HB2 LEU 125 HB2 LEU 125 2.497 -1.992 -3.794 3 HG LEU 125 HG LEU 125 2.347 -1.996 -1.291 4 HD11 LEU 125 HD11 LEU 125 2.294 -4.026 -2.666 5 HD13 LEU 125 HD12 LEU 125 3.077 -4.306 -1.114 6 HD12 LEU 125 HD13 LEU 125 4.053 -4.127 -2.567 7 HD23 LEU 125 HD21 LEU 125 4.406 -2.486 -0.046 8 HD22 LEU 125 HD22 LEU 125 4.479 -0.895 -0.804 9 HD21 LEU 125 HD23 LEU 125 5.352 -2.252 -1.519 10 H LEU 125 HN LEU 125 1.025 -0.404 -3.207 11 HB3 LEU 125 HB1 LEU 125 4.232 -1.808 -3.639 No H/Q in entry = 11 In of MODEL 12 1 HA THR 126 HA THR 126 4.440 0.545 -6.896 2 HB THR 126 HB THR 126 1.570 1.163 -7.624 3 HG1 THR 126 HG1 THR 126 1.857 -1.032 -7.261 4 HG21 THR 126 HG21 THR 126 4.005 0.938 -9.394 5 HG23 THR 126 HG22 THR 126 3.085 2.409 -9.061 6 HG22 THR 126 HG23 THR 126 2.340 1.082 -9.960 7 H THR 126 HN THR 126 2.074 0.203 -5.396 No H/Q in entry = 7 In of MODEL 12 1 HA ALA 127 HA ALA 127 2.847 5.074 -7.021 2 HB3 ALA 127 HB1 ALA 127 1.390 6.276 -5.508 3 HB1 ALA 127 HB2 ALA 127 1.284 4.861 -4.459 4 HB2 ALA 127 HB3 ALA 127 0.613 4.803 -6.090 5 H ALA 127 HN ALA 127 1.938 2.767 -5.746 No H/Q in entry = 5 In of MODEL 12 1 HA GLU 128 HA GLU 128 5.001 6.102 -2.867 2 HB2 GLU 128 HB2 GLU 128 4.084 4.256 -1.415 3 HG2 GLU 128 HG2 GLU 128 6.011 4.116 0.150 4 H GLU 128 HN GLU 128 3.490 3.898 -3.712 5 HB3 GLU 128 HB1 GLU 128 5.411 3.250 -1.964 6 HG3 GLU 128 HG1 GLU 128 6.981 4.956 -1.050 No H/Q in entry = 6 In of MODEL 12 1 HA ILE 129 HA ILE 129 8.687 3.591 -4.565 2 HB ILE 129 HB ILE 129 6.914 2.085 -6.484 3 HD13 ILE 129 HD11 ILE 129 7.743 -0.996 -4.564 4 HD12 ILE 129 HD12 ILE 129 8.482 -0.525 -6.095 5 HD11 ILE 129 HD13 ILE 129 6.738 -0.366 -5.867 6 H ILE 129 HN ILE 129 5.906 3.174 -4.574 No H/Q in entry = 6 In of MODEL 12 1 HA GLU 130 HA GLU 130 7.761 5.856 -8.761 2 HB2 GLU 130 HB2 GLU 130 4.965 6.543 -7.849 3 HG2 GLU 130 HG2 GLU 130 5.913 4.777 -10.091 4 H GLU 130 HN GLU 130 6.155 4.577 -6.837 5 HB3 GLU 130 HB1 GLU 130 5.724 7.118 -9.325 6 HG3 GLU 130 HG1 GLU 130 5.036 4.271 -8.647 No H/Q in entry = 6 In of MODEL 12 1 HA LYS 131 HA LYS 131 6.886 9.616 -5.803 2 HB2 LYS 131 HB2 LYS 131 5.402 8.644 -4.190 3 HG2 LYS 131 HG2 LYS 131 7.805 9.693 -2.720 4 HD2 LYS 131 HD2 LYS 131 4.950 9.576 -1.790 5 HE2 LYS 131 HE2 LYS 131 7.585 10.085 -0.444 6 HZ3 LYS 131 HZ1 LYS 131 4.945 9.867 0.893 7 HZ2 LYS 131 HZ2 LYS 131 6.471 10.056 1.617 8 HZ1 LYS 131 HZ3 LYS 131 6.069 8.595 0.850 9 H LYS 131 HN LYS 131 6.395 6.870 -5.718 10 HB3 LYS 131 HB1 LYS 131 6.687 7.646 -3.527 11 HG3 LYS 131 HG1 LYS 131 6.419 10.632 -3.292 12 HD3 LYS 131 HD1 LYS 131 6.111 8.300 -1.432 13 HE3 LYS 131 HE1 LYS 131 6.211 11.181 -0.591 No H/Q in entry = 13 In of MODEL 12 1 HA ILE 132 HA ILE 132 11.001 8.732 -3.682 2 HB ILE 132 HB ILE 132 11.282 5.787 -4.215 3 HD12 ILE 132 HD11 ILE 132 11.586 5.354 -1.044 4 HD11 ILE 132 HD12 ILE 132 10.776 4.262 -2.165 5 HD13 ILE 132 HD13 ILE 132 9.883 4.957 -0.810 6 H ILE 132 HN ILE 132 8.884 6.988 -4.442 No H/Q in entry = 6 In of MODEL 12 1 HA GLN 133 HA GLN 133 13.059 7.033 -7.558 2 HB2 GLN 133 HB2 GLN 133 10.550 5.803 -8.652 3 HG2 GLN 133 HG2 GLN 133 13.260 4.720 -7.935 4 HE21 GLN 133 HE21 GLN 133 12.002 2.183 -7.431 5 HE22 GLN 133 HE22 GLN 133 11.760 1.433 -8.968 6 H GLN 133 HN GLN 133 10.445 6.646 -6.489 7 HB3 GLN 133 HB1 GLN 133 11.982 5.997 -9.653 8 HG3 GLN 133 HG1 GLN 133 11.728 4.396 -7.122 No H/Q in entry = 8 In of MODEL 12 1 HA LYS 134 HA LYS 134 10.792 10.145 -10.304 2 HB2 LYS 134 HB2 LYS 134 9.004 11.686 -9.823 3 HG2 LYS 134 HG2 LYS 134 8.812 10.502 -7.068 4 HD2 LYS 134 HD2 LYS 134 7.409 12.835 -8.364 5 HE2 LYS 134 HE2 LYS 134 6.140 12.930 -6.270 6 HZ1 LYS 134 HZ1 LYS 134 9.089 13.134 -5.893 7 HZ3 LYS 134 HZ2 LYS 134 7.932 13.776 -4.831 8 HZ2 LYS 134 HZ3 LYS 134 8.047 14.368 -6.416 9 H LYS 134 HN LYS 134 10.105 8.834 -7.862 10 HB3 LYS 134 HB1 LYS 134 8.468 10.066 -9.399 11 HG3 LYS 134 HG1 LYS 134 9.542 12.066 -7.427 12 HD3 LYS 134 HD1 LYS 134 6.683 11.273 -7.969 13 HE3 LYS 134 HE1 LYS 134 7.154 11.653 -5.601 No H/Q in entry = 13 In of MODEL 12 1 HA3 GLY 135 HA2 GLY 135 13.390 11.955 -6.190 2 H GLY 135 HN GLY 135 11.636 10.613 -6.979 3 HA2 GLY 135 HA1 GLY 135 13.364 12.842 -7.711 No H/Q in entry = 3 In of MODEL 13 1 H1 GLY 95 HT3 GLY 95 -15.406 5.670 -12.743 2 H2 GLY 95 HT2 GLY 95 -15.093 7.215 -12.131 3 H3 GLY 95 HT1 GLY 95 -16.405 6.968 -13.173 4 HA3 GLY 95 HA1 GLY 95 -14.999 6.528 -15.014 5 HA2 GLY 95 HA2 GLY 95 -14.492 8.038 -14.271 No H/Q in entry = 5 In of MODEL 13 1 HA ALA 96 HA ALA 96 -10.694 5.871 -14.333 2 HB3 ALA 96 HB1 ALA 96 -10.225 7.826 -15.739 3 HB2 ALA 96 HB2 ALA 96 -8.865 7.421 -14.691 4 HB1 ALA 96 HB3 ALA 96 -9.914 8.781 -14.289 5 H ALA 96 HN ALA 96 -12.364 8.243 -14.112 No H/Q in entry = 5 In of MODEL 13 1 HA MET 97 HA MET 97 -9.435 7.364 -10.157 2 HB2 MET 97 HB2 MET 97 -11.259 9.763 -9.994 3 HG2 MET 97 HG2 MET 97 -8.268 9.509 -10.220 4 HE1 MET 97 HE1 MET 97 -9.505 10.716 -7.560 5 HE3 MET 97 HE2 MET 97 -8.581 12.209 -7.387 6 HE2 MET 97 HE3 MET 97 -7.774 10.724 -7.892 7 H MET 97 HN MET 97 -11.370 8.462 -12.034 8 HB3 MET 97 HB1 MET 97 -10.196 9.255 -8.687 9 HG3 MET 97 HG1 MET 97 -9.370 10.146 -11.441 No H/Q in entry = 9 In of MODEL 13 1 HA GLU 98 HA GLU 98 -12.497 5.080 -8.213 2 HB2 GLU 98 HB2 GLU 98 -10.105 4.699 -6.405 3 HG2 GLU 98 HG2 GLU 98 -10.894 3.262 -8.929 4 H GLU 98 HN GLU 98 -9.951 6.471 -8.179 5 HB3 GLU 98 HB1 GLU 98 -11.484 3.615 -6.551 6 HG3 GLU 98 HG1 GLU 98 -9.457 4.249 -8.684 No H/Q in entry = 6 In of MODEL 13 1 HA PRO 99 HA PRO 99 -14.281 7.842 -5.236 2 HB2 PRO 99 HB2 PRO 99 -16.470 6.356 -4.645 3 HG2 PRO 99 HG2 PRO 99 -15.803 4.336 -5.592 4 HD2 PRO 99 HD2 PRO 99 -14.107 4.229 -7.155 5 HB3 PRO 99 HB1 PRO 99 -16.302 7.234 -6.169 6 HG3 PRO 99 HG1 PRO 99 -16.661 5.069 -6.961 7 HD3 PRO 99 HD1 PRO 99 -14.702 5.644 -8.044 No H/Q in entry = 7 In of MODEL 13 1 HA GLU 100 HA GLU 100 -12.419 6.180 -1.719 2 HB2 GLU 100 HB2 GLU 100 -13.653 8.775 -0.838 3 HG2 GLU 100 HG2 GLU 100 -10.816 7.942 -1.411 4 H GLU 100 HN GLU 100 -13.846 8.106 -3.155 5 HB3 GLU 100 HB1 GLU 100 -12.677 7.769 0.227 6 HG3 GLU 100 HG1 GLU 100 -11.794 9.075 -2.338 No H/Q in entry = 6 In of MODEL 13 1 HA ASN 101 HA ASN 101 -16.522 5.670 0.682 2 HB2 ASN 101 HB2 ASN 101 -18.013 7.185 -0.690 3 HD21 ASN 101 HD21 ASN 101 -17.906 5.610 1.722 4 HD22 ASN 101 HD22 ASN 101 -19.519 5.086 2.053 5 H ASN 101 HN ASN 101 -15.828 7.002 -1.676 6 HB3 ASN 101 HB1 ASN 101 -18.285 5.815 -1.762 No H/Q in entry = 6 In of MODEL 13 1 HA LYS 102 HA LYS 102 -16.749 1.701 -1.850 2 HB2 LYS 102 HB2 LYS 102 -17.288 2.521 -4.058 3 HG2 LYS 102 HG2 LYS 102 -14.957 0.643 -4.280 4 HD2 LYS 102 HD2 LYS 102 -17.299 1.200 -6.088 5 HE2 LYS 102 HE2 LYS 102 -16.547 -1.189 -5.860 6 HZ1 LYS 102 HZ1 LYS 102 -14.058 0.021 -6.829 7 HZ3 LYS 102 HZ2 LYS 102 -14.499 -1.490 -7.448 8 HZ2 LYS 102 HZ3 LYS 102 -14.283 -1.294 -5.778 9 H LYS 102 HN LYS 102 -16.152 4.415 -2.600 10 HB3 LYS 102 HB1 LYS 102 -15.614 2.976 -4.335 11 HG3 LYS 102 HG1 LYS 102 -16.629 0.174 -3.959 12 HD3 LYS 102 HD1 LYS 102 -15.609 1.593 -6.412 13 HE3 LYS 102 HE1 LYS 102 -16.538 -0.505 -7.487 No H/Q in entry = 13 In of MODEL 13 1 HA TYR 103 HA TYR 103 -11.962 1.767 -2.706 2 HB2 TYR 103 HB2 TYR 103 -11.793 4.105 -3.354 3 HD1 TYR 103 HD1 TYR 103 -9.713 2.281 -3.595 4 HD2 TYR 103 HD2 TYR 103 -10.080 5.445 -0.788 5 HE1 TYR 103 HE1 TYR 103 -7.261 2.417 -3.434 6 HE2 TYR 103 HE2 TYR 103 -7.645 5.586 -0.589 7 HH TYR 103 HH TYR 103 -5.666 4.272 -1.020 8 H TYR 103 HN TYR 103 -13.962 3.679 -2.459 9 HB3 TYR 103 HB1 TYR 103 -11.949 4.594 -1.682 No H/Q in entry = 9 In of MODEL 13 1 HA LEU 104 HA LEU 104 -11.297 2.576 1.978 2 HB2 LEU 104 HB2 LEU 104 -12.904 4.288 2.503 3 HG LEU 104 HG LEU 104 -13.342 2.026 4.458 4 HD12 LEU 104 HD11 LEU 104 -11.240 4.182 4.412 5 HD11 LEU 104 HD12 LEU 104 -10.970 2.468 4.107 6 HD13 LEU 104 HD13 LEU 104 -11.489 3.010 5.705 7 HD22 LEU 104 HD21 LEU 104 -13.831 3.799 6.049 8 HD21 LEU 104 HD22 LEU 104 -14.943 3.871 4.682 9 HD23 LEU 104 HD23 LEU 104 -13.603 5.012 4.792 10 H LEU 104 HN LEU 104 -13.379 3.226 0.204 11 HB3 LEU 104 HB1 LEU 104 -14.217 3.129 2.457 No H/Q in entry = 11 In of MODEL 13 1 HA PRO 105 HA PRO 105 -13.951 -1.256 3.357 2 HB2 PRO 105 HB2 PRO 105 -15.645 -2.267 1.435 3 HG2 PRO 105 HG2 PRO 105 -15.341 -0.525 -0.113 4 HD2 PRO 105 HD2 PRO 105 -14.669 1.611 0.542 5 HB3 PRO 105 HB1 PRO 105 -16.170 -1.159 2.712 6 HG3 PRO 105 HG1 PRO 105 -16.771 0.033 0.770 7 HD3 PRO 105 HD1 PRO 105 -15.518 1.499 2.101 No H/Q in entry = 7 In of MODEL 13 1 HA GLU 106 HA GLU 106 -12.189 -3.448 -0.549 2 HB2 GLU 106 HB2 GLU 106 -11.180 -0.842 -1.675 3 HG2 GLU 106 HG2 GLU 106 -13.502 -2.576 -2.446 4 H GLU 106 HN GLU 106 -13.103 -0.833 -0.034 5 HB3 GLU 106 HB1 GLU 106 -10.938 -2.437 -2.367 6 HG3 GLU 106 HG1 GLU 106 -13.465 -0.842 -2.155 No H/Q in entry = 6 In of MODEL 13 1 HA LEU 107 HA LEU 107 -8.013 -1.602 0.899 2 HB2 LEU 107 HB2 LEU 107 -9.356 0.494 2.613 3 HG LEU 107 HG LEU 107 -9.120 1.038 0.143 4 HD12 LEU 107 HD11 LEU 107 -8.246 3.280 0.622 5 HD11 LEU 107 HD12 LEU 107 -7.650 2.706 2.179 6 HD13 LEU 107 HD13 LEU 107 -9.384 2.739 1.856 7 HD22 LEU 107 HD21 LEU 107 -6.873 1.652 -0.610 8 HD21 LEU 107 HD22 LEU 107 -6.971 -0.067 -0.222 9 HD23 LEU 107 HD23 LEU 107 -6.199 1.049 0.906 10 H LEU 107 HN LEU 107 -10.646 -0.584 0.797 11 HB3 LEU 107 HB1 LEU 107 -7.636 0.158 2.605 No H/Q in entry = 11 In of MODEL 13 1 HA MET 108 HA MET 108 -9.174 -2.696 5.417 2 HB2 MET 108 HB2 MET 108 -11.229 -3.022 6.539 3 HG2 MET 108 HG2 MET 108 -12.672 -2.440 3.972 4 HE3 MET 108 HE1 MET 108 -12.886 -0.440 6.460 5 HE2 MET 108 HE2 MET 108 -14.635 -0.253 6.575 6 HE1 MET 108 HE3 MET 108 -13.854 -0.277 4.993 7 H MET 108 HN MET 108 -10.646 -1.534 3.283 8 HB3 MET 108 HB1 MET 108 -11.285 -1.472 5.728 9 HG3 MET 108 HG1 MET 108 -12.609 -4.001 4.789 No H/Q in entry = 9 In of MODEL 13 1 HA ALA 109 HA ALA 109 -10.950 -6.773 3.851 2 HB2 ALA 109 HB1 ALA 109 -11.374 -5.852 1.002 3 HB1 ALA 109 HB2 ALA 109 -12.631 -6.164 2.199 4 HB3 ALA 109 HB3 ALA 109 -11.644 -7.493 1.590 5 H ALA 109 HN ALA 109 -11.051 -4.140 2.788 No H/Q in entry = 5 In of MODEL 13 1 HA GLU 110 HA GLU 110 -7.197 -7.251 0.959 2 HB2 GLU 110 HB2 GLU 110 -6.804 -4.268 0.655 3 HG2 GLU 110 HG2 GLU 110 -7.329 -6.393 -1.409 4 H GLU 110 HN GLU 110 -8.972 -5.075 1.437 5 HB3 GLU 110 HB1 GLU 110 -5.640 -5.468 0.114 6 HG3 GLU 110 HG1 GLU 110 -8.464 -5.149 -0.883 No H/Q in entry = 6 In of MODEL 13 1 HA LYS 111 HA LYS 111 -4.685 -4.960 4.323 2 HB2 LYS 111 HB2 LYS 111 -5.658 -2.894 4.813 3 HG2 LYS 111 HG2 LYS 111 -6.122 -4.492 7.319 4 HD2 LYS 111 HD2 LYS 111 -5.455 -1.573 7.037 5 HE2 LYS 111 HE2 LYS 111 -6.229 -1.458 9.359 6 HZ3 LYS 111 HZ1 LYS 111 -4.131 -3.536 9.024 7 HZ2 LYS 111 HZ2 LYS 111 -4.385 -2.571 10.393 8 HZ1 LYS 111 HZ3 LYS 111 -3.861 -1.862 8.946 9 H LYS 111 HN LYS 111 -7.195 -4.512 3.161 10 HB3 LYS 111 HB1 LYS 111 -7.181 -3.616 5.302 11 HG3 LYS 111 HG1 LYS 111 -4.587 -3.774 6.826 12 HD3 LYS 111 HD1 LYS 111 -7.102 -2.169 7.218 13 HE3 LYS 111 HE1 LYS 111 -6.485 -3.200 9.352 No H/Q in entry = 13 In of MODEL 13 1 HA ASP 112 HA ASP 112 -6.930 -7.607 7.539 2 HB2 ASP 112 HB2 ASP 112 -9.288 -6.887 7.206 3 H ASP 112 HN ASP 112 -7.879 -6.200 5.257 4 HB3 ASP 112 HB1 ASP 112 -9.449 -8.098 5.941 No H/Q in entry = 4 In of MODEL 13 1 HA SER 113 HA SER 113 -6.660 -11.231 4.707 2 HB2 SER 113 HB2 SER 113 -7.169 -9.776 2.108 3 HG SER 113 HG SER 113 -9.008 -9.738 3.364 4 H SER 113 HN SER 113 -6.959 -8.363 4.164 5 HB3 SER 113 HB1 SER 113 -7.076 -11.525 2.295 No H/Q in entry = 5 In of MODEL 13 1 HA LEU 114 HA LEU 114 -2.827 -9.833 2.317 2 HB2 LEU 114 HB2 LEU 114 -3.398 -7.341 2.482 3 HG LEU 114 HG LEU 114 -0.559 -8.314 2.340 4 HD11 LEU 114 HD11 LEU 114 -2.452 -7.127 0.312 5 HD13 LEU 114 HD12 LEU 114 -1.996 -8.826 0.451 6 HD12 LEU 114 HD13 LEU 114 -0.789 -7.622 -0.007 7 HD23 LEU 114 HD21 LEU 114 -1.483 -5.474 1.979 8 HD22 LEU 114 HD22 LEU 114 0.142 -6.092 1.677 9 HD21 LEU 114 HD23 LEU 114 -0.506 -6.075 3.316 10 H LEU 114 HN LEU 114 -4.737 -8.546 4.034 11 HB3 LEU 114 HB1 LEU 114 -2.370 -7.321 3.904 No H/Q in entry = 11 In of MODEL 13 1 HA ASP 115 HA ASP 115 -0.497 -11.705 5.434 2 HB2 ASP 115 HB2 ASP 115 0.324 -12.704 3.249 3 H ASP 115 HN ASP 115 -0.804 -10.575 2.839 4 HB3 ASP 115 HB1 ASP 115 1.626 -11.520 3.291 No H/Q in entry = 4 In of MODEL 13 1 HA PRO 116 HA PRO 116 1.321 -8.244 7.448 2 HB2 PRO 116 HB2 PRO 116 2.470 -9.574 9.538 3 HG2 PRO 116 HG2 PRO 116 2.201 -11.743 8.748 4 HD2 PRO 116 HD2 PRO 116 0.687 -12.263 7.067 5 HB3 PRO 116 HB1 PRO 116 0.741 -9.217 9.434 6 HG3 PRO 116 HG1 PRO 116 0.684 -11.536 9.648 7 HD3 PRO 116 HD1 PRO 116 -0.556 -11.172 7.715 No H/Q in entry = 7 In of MODEL 13 1 HA SER 117 HA SER 117 5.765 -10.051 7.031 2 HB2 SER 117 HB2 SER 117 5.238 -12.289 6.055 3 HG SER 117 HG SER 117 7.391 -10.801 5.625 4 H SER 117 HN SER 117 3.200 -10.892 6.235 5 HB3 SER 117 HB1 SER 117 5.055 -11.517 4.480 No H/Q in entry = 5 In of MODEL 13 1 HA PHE 118 HA PHE 118 5.651 -7.191 3.424 2 HB2 PHE 118 HB2 PHE 118 2.675 -7.281 2.881 3 HD1 PHE 118 HD1 PHE 118 5.160 -7.561 0.294 4 HD2 PHE 118 HD2 PHE 118 2.675 -9.756 2.955 5 HE1 PHE 118 HE1 PHE 118 5.475 -9.575 -1.075 6 HE2 PHE 118 HE2 PHE 118 2.994 -11.774 1.601 7 HZ PHE 118 HZ PHE 118 4.398 -11.690 -0.424 8 H PHE 118 HN PHE 118 3.579 -8.813 4.695 9 HB3 PHE 118 HB1 PHE 118 3.881 -6.439 1.917 No H/Q in entry = 9 In of MODEL 13 1 HA THR 119 HA THR 119 4.464 -4.780 7.018 2 HB THR 119 HB THR 119 7.244 -3.902 6.236 3 HG1 THR 119 HG1 THR 119 6.224 -5.718 8.176 4 HG22 THR 119 HG21 THR 119 7.313 -2.845 8.453 5 HG21 THR 119 HG22 THR 119 5.624 -3.284 8.711 6 HG23 THR 119 HG23 THR 119 6.053 -2.136 7.442 7 H THR 119 HN THR 119 6.214 -5.971 5.216 No H/Q in entry = 7 In of MODEL 13 1 HA HIS 120 HA HIS 120 4.862 -0.760 4.701 2 HB2 HIS 120 HB2 HIS 120 6.294 -1.817 2.273 3 HD1 HIS 120 HD1 HIS 120 6.634 0.731 5.093 4 HD2 HIS 120 HD2 HIS 120 8.916 -1.893 2.815 5 HE1 HIS 120 HE1 HIS 120 8.964 0.880 6.018 6 HE2 HIS 120 HE2 HIS 120 10.362 -0.620 4.552 7 H HIS 120 HN HIS 120 6.061 -3.294 4.178 8 HB3 HIS 120 HB1 HIS 120 5.749 -0.152 2.445 No H/Q in entry = 8 In of MODEL 13 1 HA ALA 121 HA ALA 121 1.982 -2.229 1.138 2 HB3 ALA 121 HB1 ALA 121 2.142 -5.123 1.943 3 HB2 ALA 121 HB2 ALA 121 3.052 -4.422 0.607 4 HB1 ALA 121 HB3 ALA 121 1.288 -4.434 0.559 5 H ALA 121 HN ALA 121 4.122 -3.425 2.497 No H/Q in entry = 5 In of MODEL 13 1 HA MET 122 HA MET 122 -0.670 -3.797 4.753 2 HB2 MET 122 HB2 MET 122 1.793 -4.413 6.342 3 HG2 MET 122 HG2 MET 122 0.456 -6.062 4.811 4 HE1 MET 122 HE1 MET 122 -2.128 -5.444 4.505 5 HE3 MET 122 HE2 MET 122 -2.069 -4.324 5.867 6 HE2 MET 122 HE3 MET 122 -3.322 -5.562 5.798 7 H MET 122 HN MET 122 2.116 -3.940 4.185 8 HB3 MET 122 HB1 MET 122 0.242 -4.251 7.152 9 HG3 MET 122 HG1 MET 122 1.155 -6.574 6.343 No H/Q in entry = 9 In of MODEL 13 1 HA GLN 123 HA GLN 123 0.741 -0.085 7.312 2 HB2 GLN 123 HB2 GLN 123 3.023 -0.015 7.699 3 HG2 GLN 123 HG2 GLN 123 2.655 2.200 5.712 4 HE21 GLN 123 HE21 GLN 123 4.686 2.246 8.527 5 HE22 GLN 123 HE22 GLN 123 6.199 2.396 7.685 6 H GLN 123 HN GLN 123 2.119 -1.820 5.555 7 HB3 GLN 123 HB1 GLN 123 3.412 -0.210 5.998 8 HG3 GLN 123 HG1 GLN 123 2.705 2.300 7.475 No H/Q in entry = 8 In of MODEL 13 1 HA LEU 124 HA LEU 124 0.468 2.774 3.659 2 HB2 LEU 124 HB2 LEU 124 0.820 0.652 1.533 3 HG LEU 124 HG LEU 124 2.916 1.560 2.639 4 HD11 LEU 124 HD11 LEU 124 2.532 2.027 -0.313 5 HD13 LEU 124 HD12 LEU 124 2.960 0.500 0.461 6 HD12 LEU 124 HD13 LEU 124 4.082 1.859 0.512 7 HD22 LEU 124 HD21 LEU 124 2.176 3.858 2.944 8 HD21 LEU 124 HD22 LEU 124 2.061 4.067 1.197 9 HD23 LEU 124 HD23 LEU 124 3.632 3.797 1.949 10 H LEU 124 HN LEU 124 1.536 0.198 3.865 11 HB3 LEU 124 HB1 LEU 124 0.390 2.315 1.181 No H/Q in entry = 11 In of MODEL 13 1 HA LEU 125 HA LEU 125 -3.560 0.439 2.457 2 HB2 LEU 125 HB2 LEU 125 -2.547 -1.949 3.972 3 HG LEU 125 HG LEU 125 -2.394 -1.941 1.460 4 HD13 LEU 125 HD11 LEU 125 -2.369 -3.982 2.795 5 HD12 LEU 125 HD12 LEU 125 -3.245 -4.233 1.288 6 HD11 LEU 125 HD13 LEU 125 -4.131 -4.017 2.795 7 HD22 LEU 125 HD21 LEU 125 -4.463 -2.353 0.226 8 HD21 LEU 125 HD22 LEU 125 -4.514 -0.777 1.018 9 HD23 LEU 125 HD23 LEU 125 -5.401 -2.140 1.706 10 H LEU 125 HN LEU 125 -1.013 -0.385 3.467 11 HB3 LEU 125 HB1 LEU 125 -4.268 -1.700 3.804 No H/Q in entry = 11 In of MODEL 13 1 HA THR 126 HA THR 126 -4.501 0.578 7.037 2 HB THR 126 HB THR 126 -1.633 0.895 7.935 3 HG1 THR 126 HG1 THR 126 -1.918 -1.224 7.613 4 HG21 THR 126 HG21 THR 126 -4.154 0.806 9.596 5 HG23 THR 126 HG22 THR 126 -3.097 2.205 9.377 6 HG22 THR 126 HG23 THR 126 -2.508 0.773 10.227 7 H THR 126 HN THR 126 -2.076 0.207 5.615 No H/Q in entry = 7 In of MODEL 13 1 HA ALA 127 HA ALA 127 -2.668 5.005 7.472 2 HB1 ALA 127 HB1 ALA 127 -0.422 4.684 6.598 3 HB2 ALA 127 HB2 ALA 127 -1.130 6.194 6.019 4 HB3 ALA 127 HB3 ALA 127 -1.041 4.793 4.951 5 H ALA 127 HN ALA 127 -1.809 2.703 6.157 No H/Q in entry = 5 In of MODEL 13 1 HA GLU 128 HA GLU 128 -4.706 6.151 3.278 2 HB2 GLU 128 HB2 GLU 128 -3.850 4.380 1.788 3 HG2 GLU 128 HG2 GLU 128 -5.721 4.181 0.264 4 H GLU 128 HN GLU 128 -3.255 3.926 4.137 5 HB3 GLU 128 HB1 GLU 128 -5.065 3.281 2.410 6 HG3 GLU 128 HG1 GLU 128 -6.824 4.703 1.531 No H/Q in entry = 6 In of MODEL 13 1 HA ILE 129 HA ILE 129 -8.491 3.749 4.866 2 HB ILE 129 HB ILE 129 -6.844 2.137 6.811 3 HD13 ILE 129 HD11 ILE 129 -6.775 -0.319 6.153 4 HD12 ILE 129 HD12 ILE 129 -7.770 -0.867 4.804 5 HD11 ILE 129 HD13 ILE 129 -8.530 -0.372 6.317 6 H ILE 129 HN ILE 129 -5.735 3.227 4.942 No H/Q in entry = 6 In of MODEL 13 1 HA GLU 130 HA GLU 130 -7.561 5.918 9.103 2 HB2 GLU 130 HB2 GLU 130 -4.765 6.565 8.166 3 HG2 GLU 130 HG2 GLU 130 -5.751 5.015 10.546 4 H GLU 130 HN GLU 130 -5.967 4.655 7.179 5 HB3 GLU 130 HB1 GLU 130 -5.517 7.287 9.581 6 HG3 GLU 130 HG1 GLU 130 -4.851 4.382 9.168 No H/Q in entry = 6 In of MODEL 13 1 HA LYS 131 HA LYS 131 -6.817 9.797 6.314 2 HB2 LYS 131 HB2 LYS 131 -5.311 9.214 4.616 3 HG2 LYS 131 HG2 LYS 131 -7.830 9.613 3.027 4 HD2 LYS 131 HD2 LYS 131 -5.187 10.822 2.397 5 HE2 LYS 131 HE2 LYS 131 -7.244 11.322 1.091 6 HZ2 LYS 131 HZ1 LYS 131 -8.521 9.462 0.863 7 HZ1 LYS 131 HZ2 LYS 131 -7.188 8.411 0.775 8 HZ3 LYS 131 HZ3 LYS 131 -7.632 9.332 -0.575 9 H LYS 131 HN LYS 131 -6.177 7.095 6.087 10 HB3 LYS 131 HB1 LYS 131 -6.376 7.974 3.972 11 HG3 LYS 131 HG1 LYS 131 -6.964 10.922 3.837 12 HD3 LYS 131 HD1 LYS 131 -5.429 9.110 2.045 13 HE3 LYS 131 HE1 LYS 131 -5.933 10.629 0.135 No H/Q in entry = 13 In of MODEL 13 1 HA ILE 132 HA ILE 132 -10.834 8.926 4.057 2 HB ILE 132 HB ILE 132 -11.123 5.952 4.366 3 HD12 ILE 132 HD11 ILE 132 -9.457 5.323 1.029 4 HD11 ILE 132 HD12 ILE 132 -11.175 5.688 1.204 5 HD13 ILE 132 HD13 ILE 132 -10.404 4.528 2.287 6 H ILE 132 HN ILE 132 -8.689 7.192 4.754 No H/Q in entry = 6 In of MODEL 13 1 HA GLN 133 HA GLN 133 -12.869 7.008 7.872 2 HB2 GLN 133 HB2 GLN 133 -10.277 6.080 9.096 3 HG2 GLN 133 HG2 GLN 133 -12.738 4.577 8.239 4 HE21 GLN 133 HE21 GLN 133 -12.744 2.376 8.629 5 HE22 GLN 133 HE22 GLN 133 -11.733 1.649 9.836 6 H GLN 133 HN GLN 133 -10.237 6.772 6.790 7 HB3 GLN 133 HB1 GLN 133 -11.806 6.073 9.959 8 HG3 GLN 133 HG1 GLN 133 -11.156 4.532 7.457 No H/Q in entry = 8 In of MODEL 13 1 HA LYS 134 HA LYS 134 -10.546 10.341 10.460 2 HB2 LYS 134 HB2 LYS 134 -9.028 11.011 7.976 3 HG2 LYS 134 HG2 LYS 134 -8.280 10.742 10.867 4 HD2 LYS 134 HD2 LYS 134 -7.096 12.594 9.663 5 HE2 LYS 134 HE2 LYS 134 -6.125 10.296 7.984 6 HZ3 LYS 134 HZ1 LYS 134 -4.722 12.014 6.920 7 HZ2 LYS 134 HZ2 LYS 134 -4.244 11.639 8.500 8 HZ1 LYS 134 HZ3 LYS 134 -5.098 13.075 8.193 9 H LYS 134 HN LYS 134 -10.032 8.977 8.052 10 HB3 LYS 134 HB1 LYS 134 -9.312 12.262 9.178 11 HG3 LYS 134 HG1 LYS 134 -7.828 9.682 9.525 12 HD3 LYS 134 HD1 LYS 134 -6.047 11.303 10.263 13 HE3 LYS 134 HE1 LYS 134 -7.014 11.717 7.438 No H/Q in entry = 13 In of MODEL 13 1 HA3 GLY 135 HA2 GLY 135 -12.749 13.453 7.926 2 H GLY 135 HN GLY 135 -11.705 10.859 7.182 3 HA2 GLY 135 HA1 GLY 135 -12.758 12.750 6.315 No H/Q in entry = 3 In of MODEL 13 1 H1 GLY 95 HT3 GLY 95 15.412 5.258 13.006 2 H2 GLY 95 HT2 GLY 95 15.127 6.823 12.422 3 H3 GLY 95 HT1 GLY 95 16.433 6.538 13.463 4 HA2 GLY 95 HA2 GLY 95 14.532 7.628 14.561 5 HA3 GLY 95 HA1 GLY 95 15.012 6.102 15.291 No H/Q in entry = 5 In of MODEL 13 1 HA ALA 96 HA ALA 96 10.701 5.523 14.592 2 HB1 ALA 96 HB1 ALA 96 10.264 7.476 16.007 3 HB3 ALA 96 HB2 ALA 96 8.898 7.108 14.953 4 HB2 ALA 96 HB3 ALA 96 9.977 8.447 14.563 5 H ALA 96 HN ALA 96 12.412 7.868 14.417 No H/Q in entry = 5 In of MODEL 13 1 HA MET 97 HA MET 97 9.486 7.074 10.419 2 HB2 MET 97 HB2 MET 97 11.352 9.443 10.285 3 HG2 MET 97 HG2 MET 97 8.356 9.257 10.499 4 HE1 MET 97 HE1 MET 97 9.631 10.457 7.851 5 HE3 MET 97 HE2 MET 97 8.739 11.970 7.690 6 HE2 MET 97 HE3 MET 97 7.898 10.500 8.181 7 H MET 97 HN MET 97 11.430 8.118 12.314 8 HB3 MET 97 HB1 MET 97 10.283 8.967 8.972 9 HG3 MET 97 HG1 MET 97 9.467 9.855 11.730 No H/Q in entry = 9 In of MODEL 13 1 HA GLU 98 HA GLU 98 12.506 4.761 8.463 2 HB2 GLU 98 HB2 GLU 98 10.112 4.439 6.647 3 HG2 GLU 98 HG2 GLU 98 10.874 2.961 9.157 4 H GLU 98 HN GLU 98 9.981 6.198 8.440 5 HB3 GLU 98 HB1 GLU 98 11.473 3.330 6.782 6 HG3 GLU 98 HG1 GLU 98 9.449 3.968 8.915 No H/Q in entry = 6 In of MODEL 13 1 HA PRO 99 HA PRO 99 14.357 7.516 5.525 2 HB2 PRO 99 HB2 PRO 99 16.515 5.988 4.924 3 HG2 PRO 99 HG2 PRO 99 15.813 3.976 5.856 4 HD2 PRO 99 HD2 PRO 99 14.106 3.885 7.407 5 HB3 PRO 99 HB1 PRO 99 16.366 6.859 6.454 6 HG3 PRO 99 HG1 PRO 99 16.678 4.685 7.234 7 HD3 PRO 99 HD1 PRO 99 14.721 5.281 8.315 No H/Q in entry = 7 In of MODEL 13 1 HA GLU 100 HA GLU 100 12.482 5.918 1.984 2 HB2 GLU 100 HB2 GLU 100 13.755 8.501 1.131 3 HG2 GLU 100 HG2 GLU 100 10.903 7.707 1.683 4 H GLU 100 HN GLU 100 13.925 7.811 3.450 5 HB3 GLU 100 HB1 GLU 100 12.770 7.518 0.055 6 HG3 GLU 100 HG1 GLU 100 11.898 8.816 2.625 No H/Q in entry = 6 In of MODEL 13 1 HA ASN 101 HA ASN 101 16.583 5.350 -0.406 2 HB2 ASN 101 HB2 ASN 101 18.089 6.829 0.986 3 HD21 ASN 101 HD21 ASN 101 17.974 5.270 -1.440 4 HD22 ASN 101 HD22 ASN 101 19.580 4.719 -1.758 5 H ASN 101 HN ASN 101 15.902 6.681 1.952 6 HB3 ASN 101 HB1 ASN 101 18.332 5.446 2.049 No H/Q in entry = 6 In of MODEL 13 1 HA LYS 102 HA LYS 102 16.723 1.358 2.089 2 HB2 LYS 102 HB2 LYS 102 17.276 2.141 4.303 3 HG2 LYS 102 HG2 LYS 102 14.900 0.313 4.505 4 HD2 LYS 102 HD2 LYS 102 17.247 0.811 6.331 5 HE2 LYS 102 HE2 LYS 102 16.453 -1.565 6.068 6 HZ1 LYS 102 HZ1 LYS 102 13.989 -0.310 7.046 7 HZ3 LYS 102 HZ2 LYS 102 14.398 -1.835 7.657 8 HZ2 LYS 102 HZ3 LYS 102 14.187 -1.624 5.987 9 H LYS 102 HN LYS 102 16.175 4.071 2.861 10 HB3 LYS 102 HB1 LYS 102 15.612 2.633 4.583 11 HG3 LYS 102 HG1 LYS 102 16.565 -0.189 4.188 12 HD3 LYS 102 HD1 LYS 102 15.560 1.226 6.651 13 HE3 LYS 102 HE1 LYS 102 16.456 -0.901 7.703 No H/Q in entry = 13 In of MODEL 13 1 HA TYR 103 HA TYR 103 11.933 1.506 2.925 2 HB2 TYR 103 HB2 TYR 103 11.804 3.835 3.601 3 HD1 TYR 103 HD1 TYR 103 9.688 2.057 3.814 4 HD2 TYR 103 HD2 TYR 103 10.128 5.240 1.040 5 HE1 TYR 103 HE1 TYR 103 7.239 2.245 3.645 6 HE2 TYR 103 HE2 TYR 103 7.698 5.432 0.833 7 HH TYR 103 HH TYR 103 5.696 4.144 1.236 8 H TYR 103 HN TYR 103 13.972 3.381 2.709 9 HB3 TYR 103 HB1 TYR 103 11.980 4.346 1.938 No H/Q in entry = 9 In of MODEL 13 1 HA LEU 104 HA LEU 104 11.303 2.369 -1.752 2 HB2 LEU 104 HB2 LEU 104 12.936 4.059 -2.256 3 HG LEU 104 HG LEU 104 13.346 1.799 -4.225 4 HD12 LEU 104 HD11 LEU 104 11.288 3.999 -4.167 5 HD11 LEU 104 HD12 LEU 104 10.981 2.287 -3.887 6 HD13 LEU 104 HD13 LEU 104 11.518 2.838 -5.474 7 HD22 LEU 104 HD21 LEU 104 13.864 3.575 -5.806 8 HD21 LEU 104 HD22 LEU 104 14.980 3.619 -4.440 9 HD23 LEU 104 HD23 LEU 104 13.658 4.783 -4.537 10 H LEU 104 HN LEU 104 13.391 2.960 0.033 11 HB3 LEU 104 HB1 LEU 104 14.233 2.879 -2.212 No H/Q in entry = 11 In of MODEL 13 1 HA PRO 105 HA PRO 105 13.891 -1.496 -3.151 2 HB2 PRO 105 HB2 PRO 105 15.562 -2.555 -1.235 3 HG2 PRO 105 HG2 PRO 105 15.279 -0.821 0.326 4 HD2 PRO 105 HD2 PRO 105 14.653 1.336 -0.318 5 HB3 PRO 105 HB1 PRO 105 16.112 -1.446 -2.499 6 HG3 PRO 105 HG1 PRO 105 16.726 -0.284 -0.545 7 HD3 PRO 105 HD1 PRO 105 15.506 1.218 -1.874 No H/Q in entry = 7 In of MODEL 13 1 HA GLU 106 HA GLU 106 12.077 -3.694 0.725 2 HB2 GLU 106 HB2 GLU 106 11.107 -1.079 1.866 3 HG2 GLU 106 HG2 GLU 106 13.396 -2.861 2.631 4 H GLU 106 HN GLU 106 13.047 -1.094 0.247 5 HB3 GLU 106 HB1 GLU 106 10.834 -2.677 2.545 6 HG3 GLU 106 HG1 GLU 106 13.388 -1.123 2.356 No H/Q in entry = 6 In of MODEL 13 1 HA LEU 107 HA LEU 107 7.934 -1.754 -0.727 2 HB2 LEU 107 HB2 LEU 107 9.327 0.333 -2.412 3 HG LEU 107 HG LEU 107 9.092 0.858 0.066 4 HD12 LEU 107 HD11 LEU 107 8.261 3.120 -0.400 5 HD11 LEU 107 HD12 LEU 107 7.659 2.569 -1.962 6 HD13 LEU 107 HD13 LEU 107 9.392 2.571 -1.636 7 HD23 LEU 107 HD21 LEU 107 6.850 1.506 0.811 8 HD22 LEU 107 HD22 LEU 107 6.919 -0.211 0.411 9 HD21 LEU 107 HD23 LEU 107 6.176 0.931 -0.713 10 H LEU 107 HN LEU 107 10.585 -0.787 -0.601 11 HB3 LEU 107 HB1 LEU 107 7.601 0.030 -2.413 No H/Q in entry = 11 In of MODEL 13 1 HA MET 108 HA MET 108 9.092 -2.828 -5.244 2 HB2 MET 108 HB2 MET 108 11.147 -3.187 -6.363 3 HG2 MET 108 HG2 MET 108 12.585 -2.654 -3.782 4 HE3 MET 108 HE1 MET 108 12.850 -0.633 -6.254 5 HE2 MET 108 HE2 MET 108 14.604 -0.474 -6.352 6 HE1 MET 108 HE3 MET 108 13.810 -0.498 -4.779 7 H MET 108 HN MET 108 10.580 -1.716 -3.099 8 HB3 MET 108 HB1 MET 108 11.224 -1.640 -5.542 9 HG3 MET 108 HG1 MET 108 12.501 -4.203 -4.617 No H/Q in entry = 9 In of MODEL 13 1 HA ALA 109 HA ALA 109 10.784 -6.947 -3.711 2 HB3 ALA 109 HB1 ALA 109 11.217 -6.069 -0.851 3 HB1 ALA 109 HB2 ALA 109 12.474 -6.391 -2.047 4 HB2 ALA 109 HB3 ALA 109 11.457 -7.706 -1.458 5 H ALA 109 HN ALA 109 10.923 -4.325 -2.616 No H/Q in entry = 5 In of MODEL 13 1 HA GLU 110 HA GLU 110 7.018 -7.387 -0.831 2 HB2 GLU 110 HB2 GLU 110 6.683 -4.397 -0.503 3 HG2 GLU 110 HG2 GLU 110 7.160 -6.548 1.548 4 H GLU 110 HN GLU 110 8.836 -5.243 -1.282 5 HB3 GLU 110 HB1 GLU 110 5.491 -5.577 0.022 6 HG3 GLU 110 HG1 GLU 110 8.315 -5.316 1.037 No H/Q in entry = 6 In of MODEL 13 1 HA LYS 111 HA LYS 111 4.558 -5.018 -4.187 2 HB2 LYS 111 HB2 LYS 111 5.575 -2.963 -4.655 3 HG2 LYS 111 HG2 LYS 111 6.016 -4.546 -7.173 4 HD2 LYS 111 HD2 LYS 111 5.399 -1.621 -6.865 5 HE2 LYS 111 HE2 LYS 111 6.177 -1.510 -9.187 6 HZ3 LYS 111 HZ1 LYS 111 4.042 -3.561 -8.881 7 HZ2 LYS 111 HZ2 LYS 111 4.310 -2.563 -10.227 8 HZ1 LYS 111 HZ3 LYS 111 3.798 -1.885 -8.762 9 H LYS 111 HN LYS 111 7.077 -4.632 -3.017 10 HB3 LYS 111 HB1 LYS 111 7.083 -3.714 -5.148 11 HG3 LYS 111 HG1 LYS 111 4.491 -3.809 -6.678 12 HD3 LYS 111 HD1 LYS 111 7.035 -2.248 -7.050 13 HE3 LYS 111 HE1 LYS 111 6.402 -3.257 -9.187 No H/Q in entry = 13 In of MODEL 13 1 HA ASP 112 HA ASP 112 6.773 -7.677 -7.423 2 HB2 ASP 112 HB2 ASP 112 9.143 -7.014 -7.080 3 H ASP 112 HN ASP 112 7.735 -6.305 -5.129 4 HB3 ASP 112 HB1 ASP 112 9.275 -8.228 -5.813 No H/Q in entry = 4 In of MODEL 13 1 HA SER 113 HA SER 113 6.417 -11.317 -4.629 2 HB2 SER 113 HB2 SER 113 6.948 -9.899 -2.015 3 HG SER 113 HG SER 113 8.787 -9.861 -3.225 4 H SER 113 HN SER 113 6.759 -8.461 -4.058 5 HB3 SER 113 HB1 SER 113 6.831 -11.645 -2.223 No H/Q in entry = 5 In of MODEL 13 1 HA LEU 114 HA LEU 114 2.604 -9.877 -2.240 2 HB2 LEU 114 HB2 LEU 114 3.223 -7.393 -2.373 3 HG LEU 114 HG LEU 114 0.365 -8.314 -2.253 4 HD11 LEU 114 HD11 LEU 114 2.270 -7.178 -0.209 5 HD13 LEU 114 HD12 LEU 114 1.789 -8.869 -0.365 6 HD12 LEU 114 HD13 LEU 114 0.601 -7.649 0.102 7 HD23 LEU 114 HD21 LEU 114 1.337 -5.494 -1.860 8 HD22 LEU 114 HD22 LEU 114 -0.299 -6.088 -1.571 9 HD21 LEU 114 HD23 LEU 114 0.355 -6.064 -3.207 10 H LEU 114 HN LEU 114 4.540 -8.608 -3.946 11 HB3 LEU 114 HB1 LEU 114 2.202 -7.338 -3.798 No H/Q in entry = 11 In of MODEL 13 1 HA ASP 115 HA ASP 115 0.250 -11.682 -5.376 2 HB2 ASP 115 HB2 ASP 115 -0.591 -12.685 -3.204 3 H ASP 115 HN ASP 115 0.585 -10.593 -2.771 4 HB3 ASP 115 HB1 ASP 115 -1.862 -11.465 -3.225 No H/Q in entry = 4 In of MODEL 13 1 HA PRO 116 HA PRO 116 -1.492 -8.164 -7.363 2 HB2 PRO 116 HB2 PRO 116 -2.661 -9.455 -9.470 3 HG2 PRO 116 HG2 PRO 116 -2.436 -11.632 -8.696 4 HD2 PRO 116 HD2 PRO 116 -0.935 -12.199 -7.019 5 HB3 PRO 116 HB1 PRO 116 -0.926 -9.131 -9.357 6 HG3 PRO 116 HG1 PRO 116 -0.912 -11.449 -9.589 7 HD3 PRO 116 HD1 PRO 116 0.329 -11.123 -7.653 No H/Q in entry = 7 In of MODEL 13 1 HA SER 117 HA SER 117 -5.978 -9.885 -6.972 2 HB2 SER 117 HB2 SER 117 -5.492 -12.143 -6.015 3 HG SER 117 HG SER 117 -7.635 -10.673 -5.643 4 H SER 117 HN SER 117 -3.428 -10.780 -6.180 5 HB3 SER 117 HB1 SER 117 -5.285 -11.390 -4.435 No H/Q in entry = 5 In of MODEL 13 1 HA PHE 118 HA PHE 118 -5.818 -7.066 -3.341 2 HB2 PHE 118 HB2 PHE 118 -2.845 -7.213 -2.789 3 HD1 PHE 118 HD1 PHE 118 -5.344 -7.471 -0.217 4 HD2 PHE 118 HD2 PHE 118 -2.891 -9.687 -2.889 5 HE1 PHE 118 HE1 PHE 118 -5.700 -9.487 1.135 6 HE2 PHE 118 HE2 PHE 118 -3.248 -11.709 -1.552 7 HZ PHE 118 HZ PHE 118 -4.656 -11.615 0.471 8 H PHE 118 HN PHE 118 -3.770 -8.709 -4.622 9 HB3 PHE 118 HB1 PHE 118 -4.041 -6.356 -1.822 No H/Q in entry = 9 In of MODEL 13 1 HA THR 119 HA THR 119 -4.574 -4.648 -6.912 2 HB THR 119 HB THR 119 -7.338 -3.724 -6.132 3 HG1 THR 119 HG1 THR 119 -6.343 -5.529 -8.106 4 HG22 THR 119 HG21 THR 119 -7.373 -2.649 -8.343 5 HG21 THR 119 HG22 THR 119 -5.691 -3.118 -8.593 6 HG23 THR 119 HG23 THR 119 -6.106 -1.973 -7.316 7 H THR 119 HN THR 119 -6.347 -5.825 -5.135 No H/Q in entry = 7 In of MODEL 13 1 HA HIS 120 HA HIS 120 -4.907 -0.634 -4.558 2 HB2 HIS 120 HB2 HIS 120 -6.364 -1.698 -2.143 3 HD1 HIS 120 HD1 HIS 120 -6.652 0.896 -4.937 4 HD2 HIS 120 HD2 HIS 120 -8.991 -1.711 -2.696 5 HE1 HIS 120 HE1 HIS 120 -8.975 1.089 -5.877 6 HE2 HIS 120 HE2 HIS 120 -10.406 -0.384 -4.415 7 H HIS 120 HN HIS 120 -6.146 -3.159 -4.061 8 HB3 HIS 120 HB1 HIS 120 -5.787 -0.041 -2.294 No H/Q in entry = 8 In of MODEL 13 1 HA ALA 121 HA ALA 121 -2.061 -2.194 -1.000 2 HB2 ALA 121 HB1 ALA 121 -2.284 -5.081 -1.825 3 HB1 ALA 121 HB2 ALA 121 -3.181 -4.370 -0.486 4 HB3 ALA 121 HB3 ALA 121 -1.419 -4.419 -0.436 5 H ALA 121 HN ALA 121 -4.221 -3.335 -2.381 No H/Q in entry = 5 In of MODEL 13 1 HA MET 122 HA MET 122 0.564 -3.778 -4.618 2 HB2 MET 122 HB2 MET 122 -1.900 -4.335 -6.224 3 HG2 MET 122 HG2 MET 122 -0.592 -6.023 -4.709 4 HE1 MET 122 HE1 MET 122 1.996 -5.465 -4.392 5 HE3 MET 122 HE2 MET 122 1.966 -4.322 -5.736 6 HE2 MET 122 HE3 MET 122 3.192 -5.590 -5.681 7 H MET 122 HN MET 122 -2.223 -3.879 -4.063 8 HB3 MET 122 HB1 MET 122 -0.344 -4.188 -7.027 9 HG3 MET 122 HG1 MET 122 -1.302 -6.504 -6.246 No H/Q in entry = 9 In of MODEL 13 1 HA GLN 123 HA GLN 123 -0.763 -0.018 -7.152 2 HB2 GLN 123 HB2 GLN 123 -3.043 0.097 -7.544 3 HG2 GLN 123 HG2 GLN 123 -2.634 2.287 -5.542 4 HE21 GLN 123 HE21 GLN 123 -4.667 2.371 -8.359 5 HE22 GLN 123 HE22 GLN 123 -6.178 2.547 -7.511 6 H GLN 123 HN GLN 123 -2.179 -1.744 -5.418 7 HB3 GLN 123 HB1 GLN 123 -3.441 -0.104 -5.847 8 HG3 GLN 123 HG1 GLN 123 -2.683 2.403 -7.304 No H/Q in entry = 8 In of MODEL 13 1 HA LEU 124 HA LEU 124 -0.455 2.802 -3.470 2 HB2 LEU 124 HB2 LEU 124 -0.853 0.668 -1.364 3 HG LEU 124 HG LEU 124 -2.927 1.626 -2.471 4 HD11 LEU 124 HD11 LEU 124 -2.542 2.063 0.484 5 HD13 LEU 124 HD12 LEU 124 -2.994 0.548 -0.299 6 HD12 LEU 124 HD13 LEU 124 -4.092 1.926 -0.345 7 HD22 LEU 124 HD21 LEU 124 -2.139 3.913 -2.748 8 HD21 LEU 124 HD22 LEU 124 -2.030 4.099 -0.999 9 HD23 LEU 124 HD23 LEU 124 -3.602 3.870 -1.763 10 H LEU 124 HN LEU 124 -1.570 0.254 -3.703 11 HB3 LEU 124 HB1 LEU 124 -0.393 2.320 -0.997 No H/Q in entry = 11 In of MODEL 13 1 HA LEU 125 HA LEU 125 3.529 0.381 -2.277 2 HB2 LEU 125 HB2 LEU 125 2.472 -1.972 -3.815 3 HG LEU 125 HG LEU 125 2.313 -1.986 -1.305 4 HD13 LEU 125 HD11 LEU 125 2.256 -4.013 -2.658 5 HD12 LEU 125 HD12 LEU 125 3.126 -4.293 -1.153 6 HD11 LEU 125 HD13 LEU 125 4.017 -4.076 -2.656 7 HD22 LEU 125 HD21 LEU 125 4.372 -2.441 -0.070 8 HD21 LEU 125 HD22 LEU 125 4.450 -0.861 -0.853 9 HD23 LEU 125 HD23 LEU 125 5.313 -2.235 -1.549 10 H LEU 125 HN LEU 125 0.971 -0.384 -3.298 11 HB3 LEU 125 HB1 LEU 125 4.199 -1.761 -3.643 No H/Q in entry = 11 In of MODEL 13 1 HA THR 126 HA THR 126 4.488 0.544 -6.850 2 HB THR 126 HB THR 126 1.625 0.925 -7.754 3 HG1 THR 126 HG1 THR 126 1.879 -1.204 -7.453 4 HG21 THR 126 HG21 THR 126 4.151 0.810 -9.409 5 HG23 THR 126 HG22 THR 126 3.118 2.226 -9.177 6 HG22 THR 126 HG23 THR 126 2.505 0.816 -10.043 7 H THR 126 HN THR 126 2.051 0.211 -5.440 No H/Q in entry = 7 In of MODEL 13 1 HA ALA 127 HA ALA 127 2.735 5.014 -7.247 2 HB1 ALA 127 HB1 ALA 127 0.485 4.726 -6.379 3 HB2 ALA 127 HB2 ALA 127 1.220 6.215 -5.782 4 HB3 ALA 127 HB3 ALA 127 1.100 4.805 -4.728 5 H ALA 127 HN ALA 127 1.831 2.712 -5.963 No H/Q in entry = 5 In of MODEL 13 1 HA GLU 128 HA GLU 128 4.786 6.081 -3.038 2 HB2 GLU 128 HB2 GLU 128 3.891 4.306 -1.572 3 HG2 GLU 128 HG2 GLU 128 5.753 4.056 -0.043 4 H GLU 128 HN GLU 128 3.298 3.894 -3.923 5 HB3 GLU 128 HB1 GLU 128 5.088 3.194 -2.205 6 HG3 GLU 128 HG1 GLU 128 6.870 4.566 -1.303 No H/Q in entry = 6 In of MODEL 13 1 HA ILE 129 HA ILE 129 8.532 3.625 -4.638 2 HB ILE 129 HB ILE 129 6.861 2.060 -6.600 3 HD13 ILE 129 HD11 ILE 129 6.740 -0.403 -5.962 4 HD12 ILE 129 HD12 ILE 129 7.722 -0.982 -4.615 5 HD11 ILE 129 HD13 ILE 129 8.494 -0.488 -6.122 6 H ILE 129 HN ILE 129 5.767 3.153 -4.724 No H/Q in entry = 6 In of MODEL 13 1 HA GLU 130 HA GLU 130 7.647 5.850 -8.864 2 HB2 GLU 130 HB2 GLU 130 4.857 6.534 -7.928 3 HG2 GLU 130 HG2 GLU 130 5.835 4.990 -10.316 4 H GLU 130 HN GLU 130 6.032 4.587 -6.959 5 HB3 GLU 130 HB1 GLU 130 5.629 7.256 -9.332 6 HG3 GLU 130 HG1 GLU 130 4.916 4.360 -8.947 No H/Q in entry = 6 In of MODEL 13 1 HA LYS 131 HA LYS 131 6.973 9.709 -6.033 2 HB2 LYS 131 HB2 LYS 131 5.447 9.143 -4.349 3 HG2 LYS 131 HG2 LYS 131 7.966 9.480 -2.742 4 HD2 LYS 131 HD2 LYS 131 5.339 10.724 -2.110 5 HE2 LYS 131 HE2 LYS 131 7.402 11.177 -0.795 6 HZ2 LYS 131 HZ1 LYS 131 8.644 9.293 -0.583 7 HZ1 LYS 131 HZ2 LYS 131 7.292 8.268 -0.502 8 HZ3 LYS 131 HZ3 LYS 131 7.754 9.169 0.858 9 H LYS 131 HN LYS 131 6.279 7.020 -5.835 10 HB3 LYS 131 HB1 LYS 131 6.484 7.876 -3.709 11 HG3 LYS 131 HG1 LYS 131 7.126 10.812 -3.542 12 HD3 LYS 131 HD1 LYS 131 5.556 9.006 -1.777 13 HE3 LYS 131 HE1 LYS 131 6.077 10.498 0.150 No H/Q in entry = 13 In of MODEL 13 1 HA ILE 132 HA ILE 132 10.961 8.742 -3.769 2 HB ILE 132 HB ILE 132 11.198 5.770 -4.111 3 HD12 ILE 132 HD11 ILE 132 9.512 5.147 -0.781 4 HD11 ILE 132 HD12 ILE 132 11.237 5.478 -0.946 5 HD13 ILE 132 HD13 ILE 132 10.447 4.341 -2.039 6 H ILE 132 HN ILE 132 8.794 7.050 -4.503 No H/Q in entry = 6 In of MODEL 13 1 HA GLN 133 HA GLN 133 12.975 6.827 -7.592 2 HB2 GLN 133 HB2 GLN 133 10.375 5.954 -8.841 3 HG2 GLN 133 HG2 GLN 133 12.808 4.406 -7.984 4 HE21 GLN 133 HE21 GLN 133 12.776 2.207 -8.412 5 HE22 GLN 133 HE22 GLN 133 11.771 1.516 -9.635 6 H GLN 133 HN GLN 133 10.336 6.633 -6.529 7 HB3 GLN 133 HB1 GLN 133 11.908 5.935 -9.698 8 HG3 GLN 133 HG1 GLN 133 11.219 4.378 -7.218 No H/Q in entry = 8 In of MODEL 13 1 HA LYS 134 HA LYS 134 10.728 10.227 -10.161 2 HB2 LYS 134 HB2 LYS 134 9.208 10.899 -7.681 3 HG2 LYS 134 HG2 LYS 134 8.472 10.683 -10.574 4 HD2 LYS 134 HD2 LYS 134 7.312 12.537 -9.357 5 HE2 LYS 134 HE2 LYS 134 6.287 10.241 -7.699 6 HZ3 LYS 134 HZ1 LYS 134 4.939 12.002 -6.617 7 HZ2 LYS 134 HZ2 LYS 134 4.442 11.635 -8.198 8 HZ1 LYS 134 HZ3 LYS 134 5.334 13.045 -7.897 9 H LYS 134 HN LYS 134 10.178 8.849 -7.771 10 HB3 LYS 134 HB1 LYS 134 9.522 12.159 -8.864 11 HG3 LYS 134 HG1 LYS 134 7.996 9.611 -9.252 12 HD3 LYS 134 HD1 LYS 134 6.243 11.271 -9.969 13 HE3 LYS 134 HE1 LYS 134 7.216 11.631 -7.138 No H/Q in entry = 13 In of MODEL 13 1 HA3 GLY 135 HA2 GLY 135 12.985 13.276 -7.602 2 H GLY 135 HN GLY 135 11.878 10.703 -6.871 3 HA2 GLY 135 HA1 GLY 135 12.970 12.568 -5.993 No H/Q in entry = 3 In of MODEL 14 1 H1 GLY 95 HT3 GLY 95 -8.946 2.101 -8.822 2 H2 GLY 95 HT2 GLY 95 -8.906 1.208 -10.266 3 H3 GLY 95 HT1 GLY 95 -7.457 1.719 -9.545 4 HA3 GLY 95 HA1 GLY 95 -7.890 3.132 -11.395 5 HA2 GLY 95 HA2 GLY 95 -9.528 3.412 -10.821 No H/Q in entry = 5 In of MODEL 14 1 HA ALA 96 HA ALA 96 -6.736 6.458 -8.872 2 HB3 ALA 96 HB1 ALA 96 -6.806 7.778 -11.582 3 HB2 ALA 96 HB2 ALA 96 -5.480 6.810 -10.939 4 HB1 ALA 96 HB3 ALA 96 -5.904 8.341 -10.175 5 H ALA 96 HN ALA 96 -7.872 5.517 -11.385 No H/Q in entry = 5 In of MODEL 14 1 HA MET 97 HA MET 97 -10.391 9.136 -9.106 2 HB2 MET 97 HB2 MET 97 -11.992 9.586 -10.944 3 HG2 MET 97 HG2 MET 97 -11.448 8.528 -13.155 4 HE2 MET 97 HE1 MET 97 -15.169 8.135 -12.013 5 HE1 MET 97 HE2 MET 97 -14.053 8.999 -13.074 6 HE3 MET 97 HE3 MET 97 -13.950 9.207 -11.325 7 H MET 97 HN MET 97 -9.712 6.634 -10.516 8 HB3 MET 97 HB1 MET 97 -10.308 9.604 -11.422 9 HG3 MET 97 HG1 MET 97 -10.639 7.252 -12.252 No H/Q in entry = 9 In of MODEL 14 1 HA GLU 98 HA GLU 98 -13.639 5.652 -8.813 2 HB2 GLU 98 HB2 GLU 98 -13.180 3.573 -7.678 3 HG2 GLU 98 HG2 GLU 98 -10.367 4.549 -7.279 4 H GLU 98 HN GLU 98 -10.848 6.029 -8.919 5 HB3 GLU 98 HB1 GLU 98 -11.984 3.801 -8.943 6 HG3 GLU 98 HG1 GLU 98 -11.572 4.319 -6.012 No H/Q in entry = 6 In of MODEL 14 1 HA PRO 99 HA PRO 99 -14.883 7.763 -5.267 2 HB2 PRO 99 HB2 PRO 99 -16.940 6.248 -4.357 3 HG2 PRO 99 HG2 PRO 99 -16.518 4.277 -5.493 4 HD2 PRO 99 HD2 PRO 99 -15.039 4.189 -7.243 5 HB3 PRO 99 HB1 PRO 99 -17.029 7.201 -5.841 6 HG3 PRO 99 HG1 PRO 99 -17.534 5.100 -6.691 7 HD3 PRO 99 HD1 PRO 99 -15.739 5.606 -8.041 No H/Q in entry = 7 In of MODEL 14 1 HA GLU 100 HA GLU 100 -12.550 6.082 -2.028 2 HB2 GLU 100 HB2 GLU 100 -12.954 7.875 -0.066 3 HG2 GLU 100 HG2 GLU 100 -12.829 10.076 -1.129 4 H GLU 100 HN GLU 100 -14.020 8.004 -3.374 5 HB3 GLU 100 HB1 GLU 100 -11.733 8.011 -1.318 6 HG3 GLU 100 HG1 GLU 100 -13.323 9.358 -2.646 No H/Q in entry = 6 In of MODEL 14 1 HA ASN 101 HA ASN 101 -16.437 5.904 0.773 2 HB2 ASN 101 HB2 ASN 101 -17.965 7.342 -0.630 3 HD21 ASN 101 HD21 ASN 101 -17.743 5.957 1.902 4 HD22 ASN 101 HD22 ASN 101 -19.350 5.535 2.375 5 H ASN 101 HN ASN 101 -15.870 7.026 -1.698 6 HB3 ASN 101 HB1 ASN 101 -18.354 5.893 -1.555 No H/Q in entry = 6 In of MODEL 14 1 HA LYS 102 HA LYS 102 -16.866 1.755 -1.113 2 HB2 LYS 102 HB2 LYS 102 -16.474 2.614 -3.968 3 HG2 LYS 102 HG2 LYS 102 -18.851 1.537 -2.471 4 HD2 LYS 102 HD2 LYS 102 -18.689 2.432 -5.339 5 HE2 LYS 102 HE2 LYS 102 -20.918 1.352 -5.443 6 HZ1 LYS 102 HZ1 LYS 102 -20.653 3.782 -4.982 7 HZ3 LYS 102 HZ2 LYS 102 -20.871 3.440 -3.334 8 HZ2 LYS 102 HZ3 LYS 102 -22.110 3.110 -4.440 9 H LYS 102 HN LYS 102 -16.217 4.304 -2.370 10 HB3 LYS 102 HB1 LYS 102 -16.689 0.929 -3.501 11 HG3 LYS 102 HG1 LYS 102 -18.635 3.184 -3.068 12 HD3 LYS 102 HD1 LYS 102 -18.675 0.741 -4.829 13 HE3 LYS 102 HE1 LYS 102 -20.840 1.111 -3.700 No H/Q in entry = 13 In of MODEL 14 1 HA TYR 103 HA TYR 103 -12.280 1.589 -2.702 2 HB2 TYR 103 HB2 TYR 103 -12.006 3.821 -3.515 3 HD1 TYR 103 HD1 TYR 103 -10.312 5.164 -0.803 4 HD2 TYR 103 HD2 TYR 103 -9.917 2.193 -3.811 5 HE1 TYR 103 HE1 TYR 103 -7.877 5.270 -0.551 6 HE2 TYR 103 HE2 TYR 103 -7.469 2.278 -3.579 7 HH TYR 103 HH TYR 103 -5.920 3.941 -1.006 8 H TYR 103 HN TYR 103 -14.219 3.568 -2.324 9 HB3 TYR 103 HB1 TYR 103 -12.175 4.482 -1.904 No H/Q in entry = 9 In of MODEL 14 1 HA LEU 104 HA LEU 104 -11.336 2.498 1.912 2 HB2 LEU 104 HB2 LEU 104 -12.934 4.208 2.495 3 HG LEU 104 HG LEU 104 -13.219 1.962 4.492 4 HD11 LEU 104 HD11 LEU 104 -10.884 2.472 4.008 5 HD13 LEU 104 HD12 LEU 104 -11.332 3.003 5.630 6 HD12 LEU 104 HD13 LEU 104 -11.185 4.181 4.323 7 HD21 LEU 104 HD21 LEU 104 -14.857 3.738 4.811 8 HD23 LEU 104 HD22 LEU 104 -13.567 4.941 4.796 9 HD22 LEU 104 HD23 LEU 104 -13.649 3.751 6.096 10 H LEU 104 HN LEU 104 -13.520 3.079 0.227 11 HB3 LEU 104 HB1 LEU 104 -14.236 3.036 2.537 No H/Q in entry = 11 In of MODEL 14 1 HA PRO 105 HA PRO 105 -13.861 -1.376 3.395 2 HB2 PRO 105 HB2 PRO 105 -15.652 -2.394 1.569 3 HG2 PRO 105 HG2 PRO 105 -15.518 -0.642 0.034 4 HD2 PRO 105 HD2 PRO 105 -14.779 1.487 0.642 5 HB3 PRO 105 HB1 PRO 105 -16.109 -1.320 2.897 6 HG3 PRO 105 HG1 PRO 105 -16.870 -0.097 1.050 7 HD3 PRO 105 HD1 PRO 105 -15.524 1.388 2.253 No H/Q in entry = 7 In of MODEL 14 1 HA GLU 106 HA GLU 106 -12.207 -3.420 -0.666 2 HB2 GLU 106 HB2 GLU 106 -11.422 -0.664 -1.597 3 HG2 GLU 106 HG2 GLU 106 -13.674 -2.160 -2.181 4 H GLU 106 HN GLU 106 -13.174 -0.877 -0.017 5 HB3 GLU 106 HB1 GLU 106 -10.782 -2.136 -2.312 6 HG3 GLU 106 HG1 GLU 106 -13.053 -0.777 -3.082 No H/Q in entry = 6 In of MODEL 14 1 HA LEU 107 HA LEU 107 -7.983 -1.613 0.844 2 HB2 LEU 107 HB2 LEU 107 -9.340 0.431 2.592 3 HG LEU 107 HG LEU 107 -9.163 1.057 0.157 4 HD12 LEU 107 HD11 LEU 107 -7.576 2.665 2.154 5 HD11 LEU 107 HD12 LEU 107 -9.329 2.695 1.959 6 HD13 LEU 107 HD13 LEU 107 -8.286 3.276 0.662 7 HD22 LEU 107 HD21 LEU 107 -7.054 -0.060 -0.323 8 HD21 LEU 107 HD22 LEU 107 -6.219 0.996 0.816 9 HD23 LEU 107 HD23 LEU 107 -6.932 1.668 -0.653 10 H LEU 107 HN LEU 107 -10.619 -0.593 0.755 11 HB3 LEU 107 HB1 LEU 107 -7.616 0.122 2.565 No H/Q in entry = 11 In of MODEL 14 1 HA MET 108 HA MET 108 -9.085 -2.770 5.344 2 HB2 MET 108 HB2 MET 108 -11.165 -3.141 6.468 3 HG2 MET 108 HG2 MET 108 -12.529 -2.340 3.917 4 HE2 MET 108 HE1 MET 108 -14.279 0.016 6.550 5 HE1 MET 108 HE2 MET 108 -13.454 -0.059 4.992 6 HE3 MET 108 HE3 MET 108 -12.561 -0.370 6.480 7 H MET 108 HN MET 108 -10.595 -1.586 3.248 8 HB3 MET 108 HB1 MET 108 -11.115 -1.527 5.783 9 HG3 MET 108 HG1 MET 108 -12.634 -3.900 4.731 No H/Q in entry = 9 In of MODEL 14 1 HA ALA 109 HA ALA 109 -10.922 -6.804 3.763 2 HB2 ALA 109 HB1 ALA 109 -11.379 -5.834 0.935 3 HB1 ALA 109 HB2 ALA 109 -12.618 -6.190 2.141 4 HB3 ALA 109 HB3 ALA 109 -11.629 -7.494 1.482 5 H ALA 109 HN ALA 109 -11.003 -4.163 2.720 No H/Q in entry = 5 In of MODEL 14 1 HA GLU 110 HA GLU 110 -7.196 -7.304 0.854 2 HB2 GLU 110 HB2 GLU 110 -6.786 -4.324 0.533 3 HG2 GLU 110 HG2 GLU 110 -7.372 -6.463 -1.501 4 H GLU 110 HN GLU 110 -8.954 -5.114 1.339 5 HB3 GLU 110 HB1 GLU 110 -5.638 -5.537 -0.013 6 HG3 GLU 110 HG1 GLU 110 -8.461 -5.173 -0.992 No H/Q in entry = 6 In of MODEL 14 1 HA LYS 111 HA LYS 111 -4.741 -4.914 4.271 2 HB2 LYS 111 HB2 LYS 111 -5.824 -2.996 4.949 3 HG2 LYS 111 HG2 LYS 111 -6.573 -4.794 7.243 4 HD2 LYS 111 HD2 LYS 111 -5.760 -1.896 7.207 5 HE2 LYS 111 HE2 LYS 111 -5.354 -3.144 9.305 6 HZ3 LYS 111 HZ1 LYS 111 -8.305 -3.400 9.462 7 HZ2 LYS 111 HZ2 LYS 111 -7.161 -3.962 10.580 8 HZ1 LYS 111 HZ3 LYS 111 -7.287 -4.693 9.053 9 H LYS 111 HN LYS 111 -7.244 -4.613 3.079 10 HB3 LYS 111 HB1 LYS 111 -7.359 -3.817 5.189 11 HG3 LYS 111 HG1 LYS 111 -4.955 -4.132 6.977 12 HD3 LYS 111 HD1 LYS 111 -7.434 -2.448 7.238 13 HE3 LYS 111 HE1 LYS 111 -6.535 -1.847 9.467 No H/Q in entry = 13 In of MODEL 14 1 HA ASP 112 HA ASP 112 -6.582 -7.775 7.425 2 HB2 ASP 112 HB2 ASP 112 -9.354 -7.840 6.265 3 H ASP 112 HN ASP 112 -7.822 -6.406 5.227 4 HB3 ASP 112 HB1 ASP 112 -8.872 -8.891 7.591 No H/Q in entry = 4 In of MODEL 14 1 HA SER 113 HA SER 113 -6.524 -11.340 4.603 2 HB2 SER 113 HB2 SER 113 -7.098 -9.802 2.069 3 HG SER 113 HG SER 113 -8.719 -10.459 3.916 4 H SER 113 HN SER 113 -6.831 -8.460 4.130 5 HB3 SER 113 HB1 SER 113 -6.882 -11.549 2.146 No H/Q in entry = 5 In of MODEL 14 1 HA LEU 114 HA LEU 114 -2.725 -9.771 2.282 2 HB2 LEU 114 HB2 LEU 114 -3.351 -7.285 2.578 3 HG LEU 114 HG LEU 114 -0.490 -8.193 2.339 4 HD12 LEU 114 HD11 LEU 114 -0.796 -7.461 0.012 5 HD11 LEU 114 HD12 LEU 114 -2.466 -7.030 0.379 6 HD13 LEU 114 HD13 LEU 114 -1.950 -8.715 0.472 7 HD22 LEU 114 HD21 LEU 114 0.169 -5.965 1.778 8 HD21 LEU 114 HD22 LEU 114 -0.581 -5.938 3.375 9 HD23 LEU 114 HD23 LEU 114 -1.483 -5.381 1.968 10 H LEU 114 HN LEU 114 -4.659 -8.606 4.060 11 HB3 LEU 114 HB1 LEU 114 -2.288 -7.326 3.972 No H/Q in entry = 11 In of MODEL 14 1 HA ASP 115 HA ASP 115 -0.370 -11.753 5.297 2 HB2 ASP 115 HB2 ASP 115 0.463 -12.610 3.069 3 H ASP 115 HN ASP 115 -0.684 -10.474 2.775 4 HB3 ASP 115 HB1 ASP 115 1.730 -11.390 3.153 No H/Q in entry = 4 In of MODEL 14 1 HA PRO 116 HA PRO 116 1.372 -8.354 7.504 2 HB2 PRO 116 HB2 PRO 116 2.501 -9.753 9.558 3 HG2 PRO 116 HG2 PRO 116 2.314 -11.882 8.639 4 HD2 PRO 116 HD2 PRO 116 0.820 -12.363 6.922 5 HB3 PRO 116 HB1 PRO 116 0.764 -9.441 9.429 6 HG3 PRO 116 HG1 PRO 116 0.785 -11.772 9.537 7 HD3 PRO 116 HD1 PRO 116 -0.451 -11.332 7.615 No H/Q in entry = 7 In of MODEL 14 1 HA SER 117 HA SER 117 5.844 -10.013 7.014 2 HB2 SER 117 HB2 SER 117 5.419 -12.259 6.035 3 HG SER 117 HG SER 117 7.510 -10.821 5.745 4 H SER 117 HN SER 117 3.301 -10.932 6.235 5 HB3 SER 117 HB1 SER 117 5.135 -11.496 4.470 No H/Q in entry = 5 In of MODEL 14 1 HA PHE 118 HA PHE 118 5.625 -7.144 3.431 2 HB2 PHE 118 HB2 PHE 118 2.639 -7.233 2.919 3 HD1 PHE 118 HD1 PHE 118 5.110 -7.550 0.315 4 HD2 PHE 118 HD2 PHE 118 2.605 -9.706 2.987 5 HE1 PHE 118 HE1 PHE 118 5.391 -9.569 -1.055 6 HE2 PHE 118 HE2 PHE 118 2.889 -11.732 1.631 7 HZ PHE 118 HZ PHE 118 4.284 -11.668 -0.399 8 H PHE 118 HN PHE 118 3.586 -8.798 4.722 9 HB3 PHE 118 HB1 PHE 118 3.846 -6.405 1.942 No H/Q in entry = 9 In of MODEL 14 1 HA THR 119 HA THR 119 4.403 -4.769 7.036 2 HB THR 119 HB THR 119 7.206 -3.908 6.316 3 HG1 THR 119 HG1 THR 119 6.110 -5.886 7.991 4 HG23 THR 119 HG21 THR 119 6.002 -2.144 7.500 5 HG22 THR 119 HG22 THR 119 7.232 -2.865 8.542 6 HG21 THR 119 HG23 THR 119 5.532 -3.289 8.757 7 H THR 119 HN THR 119 6.190 -5.932 5.235 No H/Q in entry = 7 In of MODEL 14 1 HA HIS 120 HA HIS 120 4.976 -0.743 4.722 2 HB2 HIS 120 HB2 HIS 120 6.316 -1.895 2.281 3 HD1 HIS 120 HD1 HIS 120 6.980 0.591 5.105 4 HD2 HIS 120 HD2 HIS 120 8.898 -2.308 2.833 5 HE1 HIS 120 HE1 HIS 120 9.317 0.447 6.030 6 HE2 HIS 120 HE2 HIS 120 10.397 -1.455 4.771 7 H HIS 120 HN HIS 120 6.054 -3.338 4.225 8 HB3 HIS 120 HB1 HIS 120 5.938 -0.191 2.502 No H/Q in entry = 8 In of MODEL 14 1 HA ALA 121 HA ALA 121 2.044 -2.129 1.141 2 HB1 ALA 121 HB1 ALA 121 1.296 -4.333 0.575 3 HB3 ALA 121 HB2 ALA 121 2.199 -5.033 1.918 4 HB2 ALA 121 HB3 ALA 121 3.059 -4.318 0.557 5 H ALA 121 HN ALA 121 4.166 -3.371 2.490 No H/Q in entry = 5 In of MODEL 14 1 HA MET 122 HA MET 122 -0.637 -3.684 4.733 2 HB2 MET 122 HB2 MET 122 1.811 -4.324 6.330 3 HG2 MET 122 HG2 MET 122 0.414 -5.954 4.832 4 HE3 MET 122 HE1 MET 122 -2.052 -4.123 5.897 5 HE2 MET 122 HE2 MET 122 -3.344 -5.322 5.866 6 HE1 MET 122 HE3 MET 122 -2.171 -5.258 4.551 7 H MET 122 HN MET 122 2.145 -3.857 4.175 8 HB3 MET 122 HB1 MET 122 0.270 -4.104 7.146 9 HG3 MET 122 HG1 MET 122 1.114 -6.465 6.367 No H/Q in entry = 9 In of MODEL 14 1 HA GLN 123 HA GLN 123 0.750 0.050 7.255 2 HB2 GLN 123 HB2 GLN 123 3.007 0.235 7.667 3 HG2 GLN 123 HG2 GLN 123 2.742 2.267 5.465 4 HE21 GLN 123 HE21 GLN 123 4.194 2.814 8.538 5 HE22 GLN 123 HE22 GLN 123 5.825 2.989 7.970 6 H GLN 123 HN GLN 123 2.152 -1.692 5.514 7 HB3 GLN 123 HB1 GLN 123 3.436 -0.056 5.990 8 HG3 GLN 123 HG1 GLN 123 2.475 2.531 7.188 No H/Q in entry = 8 In of MODEL 14 1 HA LEU 124 HA LEU 124 0.450 2.802 3.527 2 HB2 LEU 124 HB2 LEU 124 0.756 0.617 1.453 3 HG LEU 124 HG LEU 124 2.876 1.523 2.550 4 HD13 LEU 124 HD11 LEU 124 2.949 0.361 0.442 5 HD12 LEU 124 HD12 LEU 124 4.038 1.747 0.387 6 HD11 LEU 124 HD13 LEU 124 2.472 1.823 -0.422 7 HD22 LEU 124 HD21 LEU 124 2.185 3.845 2.748 8 HD21 LEU 124 HD22 LEU 124 2.067 3.976 0.992 9 HD23 LEU 124 HD23 LEU 124 3.637 3.711 1.752 10 H LEU 124 HN LEU 124 1.512 0.236 3.806 11 HB3 LEU 124 HB1 LEU 124 0.364 2.285 1.073 No H/Q in entry = 11 In of MODEL 14 1 HA LEU 125 HA LEU 125 -3.619 0.475 2.523 2 HB2 LEU 125 HB2 LEU 125 -2.582 -1.910 4.032 3 HG LEU 125 HG LEU 125 -2.450 -1.900 1.511 4 HD11 LEU 125 HD11 LEU 125 -2.391 -3.941 2.856 5 HD13 LEU 125 HD12 LEU 125 -3.257 -4.199 1.344 6 HD12 LEU 125 HD13 LEU 125 -4.153 -4.001 2.846 7 HD22 LEU 125 HD21 LEU 125 -4.518 -2.361 0.298 8 HD21 LEU 125 HD22 LEU 125 -4.587 -0.775 1.070 9 HD23 LEU 125 HD23 LEU 125 -5.449 -2.143 1.782 10 H LEU 125 HN LEU 125 -1.037 -0.360 3.439 11 HB3 LEU 125 HB1 LEU 125 -4.306 -1.654 3.874 No H/Q in entry = 11 In of MODEL 14 1 HA THR 126 HA THR 126 -4.301 0.610 7.219 2 HB THR 126 HB THR 126 -1.390 1.153 7.836 3 HG1 THR 126 HG1 THR 126 -1.843 -1.042 7.417 4 HG23 THR 126 HG21 THR 126 -2.770 2.417 9.369 5 HG22 THR 126 HG22 THR 126 -2.074 1.028 10.209 6 HG21 THR 126 HG23 THR 126 -3.761 0.995 9.696 7 H THR 126 HN THR 126 -2.012 0.222 5.623 No H/Q in entry = 7 In of MODEL 14 1 HA ALA 127 HA ALA 127 -2.653 5.114 7.349 2 HB1 ALA 127 HB1 ALA 127 -0.431 4.877 6.409 3 HB2 ALA 127 HB2 ALA 127 -1.226 6.322 5.784 4 HB3 ALA 127 HB3 ALA 127 -1.105 4.876 4.780 5 H ALA 127 HN ALA 127 -1.775 2.805 6.052 No H/Q in entry = 5 In of MODEL 14 1 HA GLU 128 HA GLU 128 -4.853 6.140 3.239 2 HB2 GLU 128 HB2 GLU 128 -3.941 4.349 1.750 3 HG2 GLU 128 HG2 GLU 128 -5.818 4.214 0.193 4 H GLU 128 HN GLU 128 -3.343 3.931 4.067 5 HB3 GLU 128 HB1 GLU 128 -5.216 3.290 2.318 6 HG3 GLU 128 HG1 GLU 128 -6.886 4.851 1.439 No H/Q in entry = 6 In of MODEL 14 1 HA ILE 129 HA ILE 129 -8.557 3.627 4.848 2 HB ILE 129 HB ILE 129 -6.862 2.028 6.767 3 HD11 ILE 129 HD11 ILE 129 -6.661 -0.388 6.070 4 HD13 ILE 129 HD12 ILE 129 -7.638 -0.980 4.726 5 HD12 ILE 129 HD13 ILE 129 -8.408 -0.550 6.254 6 H ILE 129 HN ILE 129 -5.785 3.160 4.876 No H/Q in entry = 6 In of MODEL 14 1 HA GLU 130 HA GLU 130 -7.578 5.744 9.107 2 HB2 GLU 130 HB2 GLU 130 -4.776 6.251 8.127 3 HG2 GLU 130 HG2 GLU 130 -5.829 5.075 10.681 4 H GLU 130 HN GLU 130 -6.024 4.471 7.161 5 HB3 GLU 130 HB1 GLU 130 -5.492 7.179 9.436 6 HG3 GLU 130 HG1 GLU 130 -4.987 4.217 9.387 No H/Q in entry = 6 In of MODEL 14 1 HA LYS 131 HA LYS 131 -6.717 9.601 6.412 2 HB2 LYS 131 HB2 LYS 131 -5.131 8.857 4.794 3 HG2 LYS 131 HG2 LYS 131 -7.415 9.759 3.073 4 HD2 LYS 131 HD2 LYS 131 -4.537 10.505 2.786 5 HE2 LYS 131 HE2 LYS 131 -6.311 11.560 1.402 6 HZ3 LYS 131 HZ1 LYS 131 -7.101 10.083 -0.471 7 HZ2 LYS 131 HZ2 LYS 131 -7.860 9.869 1.025 8 HZ1 LYS 131 HZ3 LYS 131 -6.680 8.757 0.508 9 H LYS 131 HN LYS 131 -6.259 6.857 6.058 10 HB3 LYS 131 HB1 LYS 131 -6.324 7.855 3.985 11 HG3 LYS 131 HG1 LYS 131 -6.435 10.858 4.051 12 HD3 LYS 131 HD1 LYS 131 -5.086 8.929 2.214 13 HE3 LYS 131 HE1 LYS 131 -5.076 10.709 0.474 No H/Q in entry = 13 In of MODEL 14 1 HA ILE 132 HA ILE 132 -10.707 8.933 4.008 2 HB ILE 132 HB ILE 132 -11.059 5.966 4.376 3 HD12 ILE 132 HD11 ILE 132 -11.273 5.805 1.157 4 HD11 ILE 132 HD12 ILE 132 -10.539 4.574 2.186 5 HD13 ILE 132 HD13 ILE 132 -9.580 5.362 0.933 6 H ILE 132 HN ILE 132 -8.655 7.110 4.764 No H/Q in entry = 6 In of MODEL 14 1 HA GLN 133 HA GLN 133 -12.871 7.169 7.798 2 HB2 GLN 133 HB2 GLN 133 -10.378 5.966 8.980 3 HG2 GLN 133 HG2 GLN 133 -12.995 4.752 8.123 4 HE21 GLN 133 HE21 GLN 133 -13.211 2.552 8.412 5 HE22 GLN 133 HE22 GLN 133 -12.248 1.666 9.544 6 H GLN 133 HN GLN 133 -10.239 6.777 6.763 7 HB3 GLN 133 HB1 GLN 133 -11.886 6.079 9.873 8 HG3 GLN 133 HG1 GLN 133 -11.448 4.596 7.293 No H/Q in entry = 8 In of MODEL 14 1 HA LYS 134 HA LYS 134 -10.754 10.102 10.710 2 HB2 LYS 134 HB2 LYS 134 -8.587 11.017 10.963 3 HG2 LYS 134 HG2 LYS 134 -7.946 10.239 8.131 4 HD2 LYS 134 HD2 LYS 134 -5.769 11.215 8.553 5 HE2 LYS 134 HE2 LYS 134 -6.472 9.277 10.757 6 HZ3 LYS 134 HZ1 LYS 134 -3.860 9.813 9.442 7 HZ2 LYS 134 HZ2 LYS 134 -4.162 8.608 10.597 8 HZ1 LYS 134 HZ3 LYS 134 -4.271 10.241 11.032 9 H LYS 134 HN LYS 134 -9.780 8.771 8.329 10 HB3 LYS 134 HB1 LYS 134 -8.352 9.379 10.381 11 HG3 LYS 134 HG1 LYS 134 -8.152 11.887 8.732 12 HD3 LYS 134 HD1 LYS 134 -6.244 11.640 10.197 13 HE3 LYS 134 HE1 LYS 134 -6.045 8.833 9.108 No H/Q in entry = 13 In of MODEL 14 1 HA3 GLY 135 HA2 GLY 135 -11.977 13.365 7.962 2 H GLY 135 HN GLY 135 -11.040 10.643 7.415 3 HA2 GLY 135 HA1 GLY 135 -10.800 13.139 6.675 No H/Q in entry = 3 In of MODEL 14 1 H1 GLY 95 HT3 GLY 95 8.944 1.827 9.026 2 H2 GLY 95 HT2 GLY 95 8.860 0.917 10.456 3 H3 GLY 95 HT1 GLY 95 7.439 1.474 9.722 4 HA2 GLY 95 HA2 GLY 95 9.537 3.110 11.029 5 HA3 GLY 95 HA1 GLY 95 7.897 2.852 11.602 No H/Q in entry = 5 In of MODEL 14 1 HA ALA 96 HA ALA 96 6.814 6.230 9.111 2 HB1 ALA 96 HB1 ALA 96 6.904 7.529 11.829 3 HB2 ALA 96 HB2 ALA 96 5.559 6.592 11.174 4 HB3 ALA 96 HB3 ALA 96 6.021 8.118 10.420 5 H ALA 96 HN ALA 96 7.905 5.235 11.616 No H/Q in entry = 5 In of MODEL 14 1 HA MET 97 HA MET 97 10.520 8.842 9.362 2 HB2 MET 97 HB2 MET 97 12.131 9.252 11.206 3 HG2 MET 97 HG2 MET 97 11.554 8.194 13.415 4 HE3 MET 97 HE1 MET 97 15.269 7.737 12.267 5 HE2 MET 97 HE2 MET 97 14.174 8.618 13.334 6 HE1 MET 97 HE3 MET 97 14.064 8.829 11.586 7 H MET 97 HN MET 97 9.802 6.338 10.751 8 HB3 MET 97 HB1 MET 97 10.446 9.301 11.676 9 HG3 MET 97 HG1 MET 97 10.726 6.940 12.502 No H/Q in entry = 9 In of MODEL 14 1 HA GLU 98 HA GLU 98 13.698 5.303 9.045 2 HB2 GLU 98 HB2 GLU 98 13.203 3.243 7.899 3 HG2 GLU 98 HG2 GLU 98 10.406 4.274 7.502 4 H GLU 98 HN GLU 98 10.919 5.733 9.163 5 HB3 GLU 98 HB1 GLU 98 12.009 3.483 9.165 6 HG3 GLU 98 HG1 GLU 98 11.608 4.022 6.236 No H/Q in entry = 6 In of MODEL 14 1 HA PRO 99 HA PRO 99 14.991 7.423 5.520 2 HB2 PRO 99 HB2 PRO 99 17.019 5.875 4.595 3 HG2 PRO 99 HG2 PRO 99 16.560 3.902 5.714 4 HD2 PRO 99 HD2 PRO 99 15.073 3.826 7.462 5 HB3 PRO 99 HB1 PRO 99 17.126 6.812 6.089 6 HG3 PRO 99 HG1 PRO 99 17.585 4.700 6.921 7 HD3 PRO 99 HD1 PRO 99 15.798 5.223 8.274 No H/Q in entry = 7 In of MODEL 14 1 HA GLU 100 HA GLU 100 12.626 5.814 2.276 2 HB2 GLU 100 HB2 GLU 100 13.051 7.616 0.327 3 HG2 GLU 100 HG2 GLU 100 12.978 9.812 1.410 4 H GLU 100 HN GLU 100 14.154 7.700 3.625 5 HB3 GLU 100 HB1 GLU 100 11.840 7.766 1.589 6 HG3 GLU 100 HG1 GLU 100 13.467 9.070 2.919 No H/Q in entry = 6 In of MODEL 14 1 HA ASN 101 HA ASN 101 16.512 5.591 -0.534 2 HB2 ASN 101 HB2 ASN 101 18.066 6.984 0.888 3 HD21 ASN 101 HD21 ASN 101 17.796 5.624 -1.658 4 HD22 ASN 101 HD22 ASN 101 19.397 5.185 -2.154 5 H ASN 101 HN ASN 101 15.963 6.706 1.941 6 HB3 ASN 101 HB1 ASN 101 18.434 5.516 1.790 No H/Q in entry = 6 In of MODEL 14 1 HA LYS 102 HA LYS 102 16.860 1.414 1.317 2 HB2 LYS 102 HB2 LYS 102 16.479 2.263 4.178 3 HG2 LYS 102 HG2 LYS 102 18.833 1.151 2.670 4 HD2 LYS 102 HD2 LYS 102 18.692 2.024 5.546 5 HE2 LYS 102 HE2 LYS 102 20.903 0.911 5.643 6 HZ1 LYS 102 HZ1 LYS 102 20.682 3.346 5.183 7 HZ3 LYS 102 HZ2 LYS 102 20.901 3.000 3.535 8 HZ2 LYS 102 HZ3 LYS 102 22.129 2.647 4.646 9 H LYS 102 HN LYS 102 16.260 3.966 2.590 10 HB3 LYS 102 HB1 LYS 102 16.663 0.577 3.700 11 HG3 LYS 102 HG1 LYS 102 18.650 2.796 3.280 12 HD3 LYS 102 HD1 LYS 102 18.650 0.338 5.021 13 HE3 LYS 102 HE1 LYS 102 20.821 0.673 3.897 No H/Q in entry = 13 In of MODEL 14 1 HA TYR 103 HA TYR 103 12.274 1.326 2.897 2 HB2 TYR 103 HB2 TYR 103 12.037 3.560 3.729 3 HD1 TYR 103 HD1 TYR 103 10.369 4.952 1.032 4 HD2 TYR 103 HD2 TYR 103 9.914 1.962 4.011 5 HE1 TYR 103 HE1 TYR 103 7.937 5.104 0.776 6 HE2 TYR 103 HE2 TYR 103 7.468 2.098 3.782 7 HH TYR 103 HH TYR 103 5.949 3.825 1.222 8 H TYR 103 HN TYR 103 14.248 3.272 2.525 9 HB3 TYR 103 HB1 TYR 103 12.214 4.227 2.121 No H/Q in entry = 9 In of MODEL 14 1 HA LEU 104 HA LEU 104 11.349 2.291 -1.711 2 HB2 LEU 104 HB2 LEU 104 12.980 3.975 -2.276 3 HG LEU 104 HG LEU 104 13.221 1.743 -4.294 4 HD11 LEU 104 HD11 LEU 104 10.896 2.289 -3.807 5 HD13 LEU 104 HD12 LEU 104 11.353 2.832 -5.424 6 HD12 LEU 104 HD13 LEU 104 11.227 3.996 -4.103 7 HD21 LEU 104 HD21 LEU 104 14.896 3.486 -4.600 8 HD23 LEU 104 HD22 LEU 104 13.632 4.716 -4.570 9 HD22 LEU 104 HD23 LEU 104 13.687 3.537 -5.882 10 H LEU 104 HN LEU 104 13.539 2.825 -0.018 11 HB3 LEU 104 HB1 LEU 104 14.260 2.778 -2.330 No H/Q in entry = 11 In of MODEL 14 1 HA PRO 105 HA PRO 105 13.805 -1.618 -3.228 2 HB2 PRO 105 HB2 PRO 105 15.565 -2.686 -1.404 3 HG2 PRO 105 HG2 PRO 105 15.470 -0.940 0.142 4 HD2 PRO 105 HD2 PRO 105 14.774 1.208 -0.449 5 HB3 PRO 105 HB1 PRO 105 16.048 -1.615 -2.727 6 HG3 PRO 105 HG1 PRO 105 16.833 -0.415 -0.872 7 HD3 PRO 105 HD1 PRO 105 15.520 1.106 -2.060 No H/Q in entry = 7 In of MODEL 14 1 HA GLU 106 HA GLU 106 12.102 -3.662 0.818 2 HB2 GLU 106 HB2 GLU 106 11.370 -0.898 1.769 3 HG2 GLU 106 HG2 GLU 106 13.595 -2.431 2.333 4 H GLU 106 HN GLU 106 13.121 -1.135 0.188 5 HB3 GLU 106 HB1 GLU 106 10.703 -2.365 2.471 6 HG3 GLU 106 HG1 GLU 106 12.990 -1.054 3.257 No H/Q in entry = 6 In of MODEL 14 1 HA LEU 107 HA LEU 107 7.919 -1.760 -0.681 2 HB2 LEU 107 HB2 LEU 107 9.319 0.273 -2.412 3 HG LEU 107 HG LEU 107 9.145 0.875 0.029 4 HD12 LEU 107 HD11 LEU 107 7.593 2.530 -1.954 5 HD11 LEU 107 HD12 LEU 107 9.345 2.527 -1.753 6 HD13 LEU 107 HD13 LEU 107 8.311 3.112 -0.450 7 HD22 LEU 107 HD21 LEU 107 7.013 -0.206 0.503 8 HD21 LEU 107 HD22 LEU 107 6.199 0.878 -0.628 9 HD23 LEU 107 HD23 LEU 107 6.928 1.522 0.844 10 H LEU 107 HN LEU 107 10.577 -0.793 -0.584 11 HB3 LEU 107 HB1 LEU 107 7.590 -0.007 -2.391 No H/Q in entry = 11 In of MODEL 14 1 HA MET 108 HA MET 108 9.000 -2.898 -5.189 2 HB2 MET 108 HB2 MET 108 11.072 -3.298 -6.321 3 HG2 MET 108 HG2 MET 108 12.450 -2.550 -3.761 4 HE2 MET 108 HE1 MET 108 14.246 -0.195 -6.370 5 HE1 MET 108 HE2 MET 108 13.422 -0.270 -4.811 6 HE3 MET 108 HE3 MET 108 12.521 -0.549 -6.301 7 H MET 108 HN MET 108 10.532 -1.759 -3.086 8 HB3 MET 108 HB1 MET 108 11.056 -1.690 -5.617 9 HG3 MET 108 HG1 MET 108 12.531 -4.101 -4.593 No H/Q in entry = 9 In of MODEL 14 1 HA ALA 109 HA ALA 109 10.760 -6.986 -3.646 2 HB3 ALA 109 HB1 ALA 109 11.234 -6.046 -0.807 3 HB1 ALA 109 HB2 ALA 109 12.466 -6.416 -2.015 4 HB2 ALA 109 HB3 ALA 109 11.452 -7.705 -1.370 5 H ALA 109 HN ALA 109 10.897 -4.354 -2.582 No H/Q in entry = 5 In of MODEL 14 1 HA GLU 110 HA GLU 110 7.021 -7.437 -0.744 2 HB2 GLU 110 HB2 GLU 110 6.675 -4.451 -0.400 3 HG2 GLU 110 HG2 GLU 110 7.209 -6.627 1.610 4 H GLU 110 HN GLU 110 8.821 -5.275 -1.214 5 HB3 GLU 110 HB1 GLU 110 5.497 -5.642 0.134 6 HG3 GLU 110 HG1 GLU 110 8.328 -5.357 1.115 No H/Q in entry = 6 In of MODEL 14 1 HA LYS 111 HA LYS 111 4.619 -4.976 -4.147 2 HB2 LYS 111 HB2 LYS 111 5.743 -3.073 -4.796 3 HG2 LYS 111 HG2 LYS 111 6.454 -4.859 -7.113 4 HD2 LYS 111 HD2 LYS 111 5.706 -1.942 -7.053 5 HE2 LYS 111 HE2 LYS 111 5.280 -3.159 -9.163 6 HZ3 LYS 111 HZ1 LYS 111 8.222 -3.474 -9.331 7 HZ2 LYS 111 HZ2 LYS 111 7.059 -4.013 -10.437 8 HZ1 LYS 111 HZ3 LYS 111 7.182 -4.745 -8.912 9 H LYS 111 HN LYS 111 7.118 -4.730 -2.945 10 HB3 LYS 111 HB1 LYS 111 7.259 -3.924 -5.048 11 HG3 LYS 111 HG1 LYS 111 4.850 -4.166 -6.841 12 HD3 LYS 111 HD1 LYS 111 7.365 -2.528 -7.082 13 HE3 LYS 111 HE1 LYS 111 6.490 -1.884 -9.308 No H/Q in entry = 13 In of MODEL 14 1 HA ASP 112 HA ASP 112 6.408 -7.837 -7.322 2 HB2 ASP 112 HB2 ASP 112 9.177 -7.967 -6.158 3 H ASP 112 HN ASP 112 7.675 -6.516 -5.110 4 HB3 ASP 112 HB1 ASP 112 8.678 -8.993 -7.498 No H/Q in entry = 4 In of MODEL 14 1 HA SER 113 HA SER 113 6.281 -11.423 -4.521 2 HB2 SER 113 HB2 SER 113 6.867 -9.924 -1.965 3 HG SER 113 HG SER 113 8.472 -10.681 -3.858 4 H SER 113 HN SER 113 6.629 -8.549 -4.031 5 HB3 SER 113 HB1 SER 113 6.634 -11.667 -2.070 No H/Q in entry = 5 In of MODEL 14 1 HA LEU 114 HA LEU 114 2.511 -9.808 -2.205 2 HB2 LEU 114 HB2 LEU 114 3.181 -7.336 -2.466 3 HG LEU 114 HG LEU 114 0.305 -8.190 -2.241 4 HD12 LEU 114 HD11 LEU 114 0.621 -7.484 0.090 5 HD11 LEU 114 HD12 LEU 114 2.300 -7.080 -0.271 6 HD13 LEU 114 HD13 LEU 114 1.752 -8.755 -0.381 7 HD22 LEU 114 HD21 LEU 114 -0.316 -5.957 -1.653 8 HD21 LEU 114 HD22 LEU 114 0.429 -5.930 -3.252 9 HD23 LEU 114 HD23 LEU 114 1.346 -5.400 -1.844 10 H LEU 114 HN LEU 114 4.462 -8.661 -3.980 11 HB3 LEU 114 HB1 LEU 114 2.122 -7.332 -3.863 No H/Q in entry = 11 In of MODEL 14 1 HA ASP 115 HA ASP 115 0.120 -11.721 -5.236 2 HB2 ASP 115 HB2 ASP 115 -0.734 -12.580 -3.012 3 H ASP 115 HN ASP 115 0.454 -10.470 -2.699 4 HB3 ASP 115 HB1 ASP 115 -1.978 -11.338 -3.091 No H/Q in entry = 4 In of MODEL 14 1 HA PRO 116 HA PRO 116 -1.556 -8.266 -7.415 2 HB2 PRO 116 HB2 PRO 116 -2.712 -9.632 -9.478 3 HG2 PRO 116 HG2 PRO 116 -2.560 -11.773 -8.586 4 HD2 PRO 116 HD2 PRO 116 -1.087 -12.294 -6.865 5 HB3 PRO 116 HB1 PRO 116 -0.971 -9.351 -9.347 6 HG3 PRO 116 HG1 PRO 116 -1.024 -11.678 -9.475 7 HD3 PRO 116 HD1 PRO 116 0.208 -11.287 -7.548 No H/Q in entry = 7 In of MODEL 14 1 HA SER 117 HA SER 117 -6.054 -9.844 -6.946 2 HB2 SER 117 HB2 SER 117 -5.677 -12.107 -5.994 3 HG SER 117 HG SER 117 -7.732 -10.593 -5.638 4 H SER 117 HN SER 117 -3.533 -10.817 -6.159 5 HB3 SER 117 HB1 SER 117 -5.383 -11.367 -4.421 No H/Q in entry = 5 In of MODEL 14 1 HA PHE 118 HA PHE 118 -5.789 -7.013 -3.332 2 HB2 PHE 118 HB2 PHE 118 -2.806 -7.165 -2.814 3 HD1 PHE 118 HD1 PHE 118 -5.284 -7.458 -0.217 4 HD2 PHE 118 HD2 PHE 118 -2.827 -9.641 -2.911 5 HE1 PHE 118 HE1 PHE 118 -5.604 -9.482 1.135 6 HE2 PHE 118 HE2 PHE 118 -3.149 -11.671 -1.575 7 HZ PHE 118 HZ PHE 118 -4.541 -11.598 0.459 8 H PHE 118 HN PHE 118 -3.787 -8.698 -4.637 9 HB3 PHE 118 HB1 PHE 118 -4.002 -6.326 -1.833 No H/Q in entry = 9 In of MODEL 14 1 HA THR 119 HA THR 119 -4.523 -4.633 -6.913 2 HB THR 119 HB THR 119 -7.311 -3.720 -6.190 3 HG1 THR 119 HG1 THR 119 -6.251 -5.712 -7.863 4 HG23 THR 119 HG21 THR 119 -6.063 -1.970 -7.347 5 HG22 THR 119 HG22 THR 119 -7.307 -2.650 -8.400 6 HG21 THR 119 HG23 THR 119 -5.618 -3.111 -8.618 7 H THR 119 HN THR 119 -6.329 -5.785 -5.125 No H/Q in entry = 7 In of MODEL 14 1 HA HIS 120 HA HIS 120 -5.022 -0.618 -4.564 2 HB2 HIS 120 HB2 HIS 120 -6.385 -1.762 -2.133 3 HD1 HIS 120 HD1 HIS 120 -6.998 0.754 -4.942 4 HD2 HIS 120 HD2 HIS 120 -8.977 -2.120 -2.690 5 HE1 HIS 120 HE1 HIS 120 -9.335 0.665 -5.866 6 HE2 HIS 120 HE2 HIS 120 -10.452 -1.233 -4.627 7 H HIS 120 HN HIS 120 -6.142 -3.200 -4.083 8 HB3 HIS 120 HB1 HIS 120 -5.976 -0.063 -2.343 No H/Q in entry = 8 In of MODEL 14 1 HA ALA 121 HA ALA 121 -2.114 -2.091 -0.989 2 HB3 ALA 121 HB1 ALA 121 -1.413 -4.318 -0.442 3 HB2 ALA 121 HB2 ALA 121 -2.330 -4.983 -1.794 4 HB1 ALA 121 HB3 ALA 121 -3.176 -4.266 -0.423 5 H ALA 121 HN ALA 121 -4.257 -3.279 -2.351 No H/Q in entry = 5 In of MODEL 14 1 HA MET 122 HA MET 122 0.535 -3.665 -4.599 2 HB2 MET 122 HB2 MET 122 -1.924 -4.241 -6.209 3 HG2 MET 122 HG2 MET 122 -0.564 -5.909 -4.720 4 HE3 MET 122 HE1 MET 122 1.945 -4.119 -5.767 5 HE2 MET 122 HE2 MET 122 3.215 -5.343 -5.741 6 HE1 MET 122 HE3 MET 122 2.040 -5.264 -4.428 7 H MET 122 HN MET 122 -2.250 -3.789 -4.039 8 HB3 MET 122 HB1 MET 122 -0.375 -4.045 -7.019 9 HG3 MET 122 HG1 MET 122 -1.263 -6.397 -6.261 No H/Q in entry = 9 In of MODEL 14 1 HA GLN 123 HA GLN 123 -0.777 0.118 -7.085 2 HB2 GLN 123 HB2 GLN 123 -3.032 0.350 -7.492 3 HG2 GLN 123 HG2 GLN 123 -2.723 2.363 -5.281 4 HE21 GLN 123 HE21 GLN 123 -4.177 2.919 -8.354 5 HE22 GLN 123 HE22 GLN 123 -5.794 3.144 -7.781 6 H GLN 123 HN GLN 123 -2.215 -1.613 -5.358 7 HB3 GLN 123 HB1 GLN 123 -3.464 0.059 -5.814 8 HG3 GLN 123 HG1 GLN 123 -2.450 2.632 -7.000 No H/Q in entry = 8 In of MODEL 14 1 HA LEU 124 HA LEU 124 -0.429 2.835 -3.330 2 HB2 LEU 124 HB2 LEU 124 -0.781 0.633 -1.283 3 HG LEU 124 HG LEU 124 -2.880 1.593 -2.364 4 HD13 LEU 124 HD11 LEU 124 -2.975 0.413 -0.268 5 HD12 LEU 124 HD12 LEU 124 -4.040 1.818 -0.201 6 HD11 LEU 124 HD13 LEU 124 -2.473 1.861 0.607 7 HD22 LEU 124 HD21 LEU 124 -2.146 3.903 -2.539 8 HD21 LEU 124 HD22 LEU 124 -2.028 4.011 -0.782 9 HD23 LEU 124 HD23 LEU 124 -3.601 3.786 -1.548 10 H LEU 124 HN LEU 124 -1.537 0.293 -3.635 11 HB3 LEU 124 HB1 LEU 124 -0.354 2.287 -0.881 No H/Q in entry = 11 In of MODEL 14 1 HA LEU 125 HA LEU 125 3.597 0.426 -2.344 2 HB2 LEU 125 HB2 LEU 125 2.514 -1.927 -3.873 3 HG LEU 125 HG LEU 125 2.380 -1.941 -1.354 4 HD11 LEU 125 HD11 LEU 125 2.286 -3.968 -2.721 5 HD13 LEU 125 HD12 LEU 125 3.140 -4.256 -1.207 6 HD12 LEU 125 HD13 LEU 125 4.046 -4.061 -2.703 7 HD22 LEU 125 HD21 LEU 125 4.438 -2.450 -0.146 8 HD21 LEU 125 HD22 LEU 125 4.534 -0.860 -0.907 9 HD23 LEU 125 HD23 LEU 125 5.371 -2.238 -1.630 10 H LEU 125 HN LEU 125 1.003 -0.356 -3.270 11 HB3 LEU 125 HB1 LEU 125 4.243 -1.708 -3.713 No H/Q in entry = 11 In of MODEL 14 1 HA THR 126 HA THR 126 4.286 0.584 -7.035 2 HB THR 126 HB THR 126 1.385 1.180 -7.650 3 HG1 THR 126 HG1 THR 126 1.779 -1.024 -7.269 4 HG23 THR 126 HG21 THR 126 2.787 2.440 -9.168 5 HG22 THR 126 HG22 THR 126 2.064 1.075 -10.021 6 HG21 THR 126 HG23 THR 126 3.752 1.004 -9.514 7 H THR 126 HN THR 126 1.986 0.221 -5.452 No H/Q in entry = 7 In of MODEL 14 1 HA ALA 127 HA ALA 127 2.722 5.124 -7.130 2 HB3 ALA 127 HB1 ALA 127 0.495 4.918 -6.194 3 HB2 ALA 127 HB2 ALA 127 1.318 6.339 -5.550 4 HB1 ALA 127 HB3 ALA 127 1.167 4.885 -4.564 5 H ALA 127 HN ALA 127 1.797 2.820 -5.856 No H/Q in entry = 5 In of MODEL 14 1 HA GLU 128 HA GLU 128 4.934 6.066 -3.010 2 HB2 GLU 128 HB2 GLU 128 3.982 4.283 -1.540 3 HG2 GLU 128 HG2 GLU 128 5.847 4.099 0.023 4 H GLU 128 HN GLU 128 3.379 3.896 -3.854 5 HB3 GLU 128 HB1 GLU 128 5.238 3.201 -2.109 6 HG3 GLU 128 HG1 GLU 128 6.935 4.719 -1.213 No H/Q in entry = 6 In of MODEL 14 1 HA ILE 129 HA ILE 129 8.595 3.502 -4.640 2 HB ILE 129 HB ILE 129 6.872 1.956 -6.572 3 HD13 ILE 129 HD11 ILE 129 6.619 -0.468 -5.892 4 HD12 ILE 129 HD12 ILE 129 7.594 -1.090 -4.560 5 HD11 ILE 129 HD13 ILE 129 8.361 -0.658 -6.089 6 H ILE 129 HN ILE 129 5.812 3.085 -4.677 No H/Q in entry = 6 In of MODEL 14 1 HA GLU 130 HA GLU 130 7.654 5.674 -8.873 2 HB2 GLU 130 HB2 GLU 130 4.861 6.221 -7.895 3 HG2 GLU 130 HG2 GLU 130 5.895 5.061 -10.466 4 H GLU 130 HN GLU 130 6.076 4.413 -6.942 5 HB3 GLU 130 HB1 GLU 130 5.597 7.152 -9.189 6 HG3 GLU 130 HG1 GLU 130 5.035 4.201 -9.187 No H/Q in entry = 6 In of MODEL 14 1 HA LYS 131 HA LYS 131 6.867 9.526 -6.144 2 HB2 LYS 131 HB2 LYS 131 5.266 8.794 -4.538 3 HG2 LYS 131 HG2 LYS 131 7.565 9.634 -2.802 4 HD2 LYS 131 HD2 LYS 131 4.704 10.439 -2.512 5 HE2 LYS 131 HE2 LYS 131 6.497 11.442 -1.115 6 HZ3 LYS 131 HZ1 LYS 131 7.261 9.918 0.735 7 HZ2 LYS 131 HZ2 LYS 131 8.011 9.712 -0.766 8 HZ1 LYS 131 HZ3 LYS 131 6.810 8.622 -0.263 9 H LYS 131 HN LYS 131 6.352 6.789 -5.819 10 HB3 LYS 131 HB1 LYS 131 6.439 7.761 -3.738 11 HG3 LYS 131 HG1 LYS 131 6.610 10.763 -3.771 12 HD3 LYS 131 HD1 LYS 131 5.217 8.846 -1.954 13 HE3 LYS 131 HE1 LYS 131 5.250 10.604 -0.192 No H/Q in entry = 13 In of MODEL 14 1 HA ILE 132 HA ILE 132 10.840 8.755 -3.742 2 HB ILE 132 HB ILE 132 11.137 5.787 -4.142 3 HD12 ILE 132 HD11 ILE 132 11.338 5.593 -0.918 4 HD11 ILE 132 HD12 ILE 132 10.593 4.383 -1.965 5 HD13 ILE 132 HD13 ILE 132 9.640 5.172 -0.707 6 H ILE 132 HN ILE 132 8.753 6.982 -4.518 No H/Q in entry = 6 In of MODEL 14 1 HA GLN 133 HA GLN 133 12.975 6.982 -7.548 2 HB2 GLN 133 HB2 GLN 133 10.456 5.848 -8.749 3 HG2 GLN 133 HG2 GLN 133 13.052 4.572 -7.916 4 HE21 GLN 133 HE21 GLN 133 13.228 2.377 -8.232 5 HE22 GLN 133 HE22 GLN 133 12.225 1.508 -9.353 6 H GLN 133 HN GLN 133 10.334 6.634 -6.518 7 HB3 GLN 133 HB1 GLN 133 11.969 5.943 -9.640 8 HG3 GLN 133 HG1 GLN 133 11.510 4.443 -7.073 No H/Q in entry = 8 In of MODEL 14 1 HA LYS 134 HA LYS 134 10.916 9.982 -10.434 2 HB2 LYS 134 HB2 LYS 134 8.769 10.943 -10.685 3 HG2 LYS 134 HG2 LYS 134 8.110 10.151 -7.861 4 HD2 LYS 134 HD2 LYS 134 5.955 11.171 -8.271 5 HE2 LYS 134 HE2 LYS 134 6.624 9.233 -10.489 6 HZ1 LYS 134 HZ1 LYS 134 4.024 9.819 -9.177 7 HZ3 LYS 134 HZ2 LYS 134 4.300 8.606 -10.331 8 HZ2 LYS 134 HZ3 LYS 134 4.449 10.239 -10.767 9 H LYS 134 HN LYS 134 9.913 8.644 -8.072 10 HB3 LYS 134 HB1 LYS 134 8.502 9.306 -10.117 11 HG3 LYS 134 HG1 LYS 134 8.348 11.800 -8.446 12 HD3 LYS 134 HD1 LYS 134 6.434 11.600 -9.914 13 HE3 LYS 134 HE1 LYS 134 6.188 8.790 -8.841 No H/Q in entry = 13 In of MODEL 14 1 HA3 GLY 135 HA2 GLY 135 12.175 13.210 -7.670 2 H GLY 135 HN GLY 135 11.207 10.498 -7.133 3 HA2 GLY 135 HA1 GLY 135 11.007 12.986 -6.375 No H/Q in entry = 3 In of MODEL 15 1 H1 GLY 95 HT3 GLY 95 -8.781 7.039 -6.017 2 H2 GLY 95 HT2 GLY 95 -8.779 5.454 -6.624 3 H3 GLY 95 HT1 GLY 95 -8.018 5.803 -5.151 4 HA3 GLY 95 HA1 GLY 95 -6.322 7.042 -6.188 5 HA2 GLY 95 HA2 GLY 95 -6.462 5.501 -7.020 No H/Q in entry = 5 In of MODEL 15 1 HA ALA 96 HA ALA 96 -7.125 7.811 -10.582 2 HB3 ALA 96 HB1 ALA 96 -7.876 6.503 -12.497 3 H ALA 96 HN ALA 96 -7.981 5.541 -8.983 4 HB1 ALA 96 HB2 ALA 96 -8.557 5.291 -11.409 5 HB2 ALA 96 HB3 ALA 96 -6.815 5.556 -11.452 No H/Q in entry = 5 In of MODEL 15 1 HA MET 97 HA MET 97 -11.563 8.804 -9.889 2 HB2 MET 97 HB2 MET 97 -11.500 7.890 -12.230 3 HG2 MET 97 HG2 MET 97 -13.862 8.156 -12.766 4 HE3 MET 97 HE1 MET 97 -14.951 11.819 -11.915 5 HE2 MET 97 HE2 MET 97 -15.617 10.347 -11.203 6 HE1 MET 97 HE3 MET 97 -15.246 10.404 -12.926 7 H MET 97 HN MET 97 -10.202 6.253 -9.676 8 HB3 MET 97 HB1 MET 97 -12.457 6.531 -11.667 9 HG3 MET 97 HG1 MET 97 -14.265 8.057 -11.053 No H/Q in entry = 9 In of MODEL 15 1 HA GLU 98 HA GLU 98 -13.697 5.123 -7.753 2 HB2 GLU 98 HB2 GLU 98 -11.228 4.635 -6.085 3 HG2 GLU 98 HG2 GLU 98 -11.088 2.467 -7.392 4 H GLU 98 HN GLU 98 -11.068 6.038 -8.363 5 HB3 GLU 98 HB1 GLU 98 -12.678 3.647 -6.171 6 HG3 GLU 98 HG1 GLU 98 -12.069 3.276 -8.616 No H/Q in entry = 6 In of MODEL 15 1 HA PRO 99 HA PRO 99 -14.621 8.162 -4.637 2 HB2 PRO 99 HB2 PRO 99 -16.934 7.058 -3.776 3 HG2 PRO 99 HG2 PRO 99 -16.815 4.974 -4.779 4 HD2 PRO 99 HD2 PRO 99 -15.256 4.526 -6.396 5 HB3 PRO 99 HB1 PRO 99 -16.813 7.916 -5.317 6 HG3 PRO 99 HG1 PRO 99 -17.611 5.879 -6.079 7 HD3 PRO 99 HD1 PRO 99 -15.716 5.938 -7.362 No H/Q in entry = 7 In of MODEL 15 1 HA GLU 100 HA GLU 100 -12.595 6.295 -1.336 2 HB2 GLU 100 HB2 GLU 100 -13.801 8.719 -0.004 3 HG2 GLU 100 HG2 GLU 100 -11.428 9.619 -0.301 4 H GLU 100 HN GLU 100 -14.033 8.319 -2.595 5 HB3 GLU 100 HB1 GLU 100 -12.459 7.760 0.597 6 HG3 GLU 100 HG1 GLU 100 -11.279 8.421 -1.587 No H/Q in entry = 6 In of MODEL 15 1 HA ASN 101 HA ASN 101 -16.627 5.906 1.284 2 HB2 ASN 101 HB2 ASN 101 -18.162 7.339 -0.040 3 HD21 ASN 101 HD21 ASN 101 -18.122 5.667 2.287 4 HD22 ASN 101 HD22 ASN 101 -19.719 5.051 2.501 5 H ASN 101 HN ASN 101 -15.952 7.151 -1.099 6 HB3 ASN 101 HB1 ASN 101 -18.336 6.032 -1.206 No H/Q in entry = 6 In of MODEL 15 1 HA LYS 102 HA LYS 102 -16.906 1.858 -0.880 2 HB2 LYS 102 HB2 LYS 102 -16.545 2.872 -3.698 3 HG2 LYS 102 HG2 LYS 102 -19.064 2.031 -2.286 4 HD2 LYS 102 HD2 LYS 102 -18.575 3.373 -4.940 5 HE2 LYS 102 HE2 LYS 102 -21.130 2.605 -3.540 6 HZ2 LYS 102 HZ1 LYS 102 -21.309 2.237 -5.904 7 HZ1 LYS 102 HZ2 LYS 102 -20.697 3.782 -6.236 8 HZ3 LYS 102 HZ3 LYS 102 -22.205 3.611 -5.472 9 H LYS 102 HN LYS 102 -16.292 4.495 -1.946 10 HB3 LYS 102 HB1 LYS 102 -17.031 1.233 -3.267 11 HG3 LYS 102 HG1 LYS 102 -18.559 3.707 -2.503 12 HD3 LYS 102 HD1 LYS 102 -19.148 1.720 -4.691 13 HE3 LYS 102 HE1 LYS 102 -20.562 4.245 -3.848 No H/Q in entry = 13 In of MODEL 15 1 HA TYR 103 HA TYR 103 -12.402 1.782 -2.660 2 HB2 TYR 103 HB2 TYR 103 -12.143 4.037 -3.425 3 HD1 TYR 103 HD1 TYR 103 -10.329 5.356 -0.808 4 HD2 TYR 103 HD2 TYR 103 -10.092 2.337 -3.784 5 HE1 TYR 103 HE1 TYR 103 -7.885 5.429 -0.652 6 HE2 TYR 103 HE2 TYR 103 -7.638 2.393 -3.652 7 HH TYR 103 HH TYR 103 -5.958 4.157 -1.181 8 H TYR 103 HN TYR 103 -14.318 3.756 -2.147 9 HB3 TYR 103 HB1 TYR 103 -12.246 4.662 -1.792 No H/Q in entry = 9 In of MODEL 15 1 HA LEU 104 HA LEU 104 -11.385 2.581 1.984 2 HB2 LEU 104 HB2 LEU 104 -13.045 4.221 2.602 3 HG LEU 104 HG LEU 104 -13.244 1.927 4.556 4 HD12 LEU 104 HD11 LEU 104 -11.407 3.043 5.718 5 HD11 LEU 104 HD12 LEU 104 -11.304 4.228 4.416 6 HD13 LEU 104 HD13 LEU 104 -10.932 2.535 4.098 7 HD21 LEU 104 HD21 LEU 104 -14.955 3.666 4.863 8 HD23 LEU 104 HD22 LEU 104 -13.682 4.886 4.939 9 HD22 LEU 104 HD23 LEU 104 -13.787 3.642 6.184 10 H LEU 104 HN LEU 104 -13.574 3.172 0.318 11 HB3 LEU 104 HB1 LEU 104 -14.300 3.000 2.619 No H/Q in entry = 11 In of MODEL 15 1 HA PRO 105 HA PRO 105 -13.849 -1.364 3.422 2 HB2 PRO 105 HB2 PRO 105 -15.587 -2.414 1.561 3 HG2 PRO 105 HG2 PRO 105 -15.405 -0.651 0.023 4 HD2 PRO 105 HD2 PRO 105 -14.776 1.505 0.678 5 HB3 PRO 105 HB1 PRO 105 -16.093 -1.336 2.871 6 HG3 PRO 105 HG1 PRO 105 -16.816 -0.148 0.971 7 HD3 PRO 105 HD1 PRO 105 -15.552 1.343 2.271 No H/Q in entry = 7 In of MODEL 15 1 HA GLU 106 HA GLU 106 -12.172 -3.461 -0.577 2 HB2 GLU 106 HB2 GLU 106 -11.176 -0.821 -1.641 3 HG2 GLU 106 HG2 GLU 106 -13.508 -2.518 -2.415 4 H GLU 106 HN GLU 106 -13.118 -0.880 0.005 5 HB3 GLU 106 HB1 GLU 106 -10.919 -2.400 -2.367 6 HG3 GLU 106 HG1 GLU 106 -13.415 -0.773 -2.202 No H/Q in entry = 6 In of MODEL 15 1 HA LEU 107 HA LEU 107 -7.974 -1.602 0.829 2 HB2 LEU 107 HB2 LEU 107 -9.312 0.456 2.590 3 HG LEU 107 HG LEU 107 -9.138 1.040 0.131 4 HD12 LEU 107 HD11 LEU 107 -8.262 3.278 0.618 5 HD11 LEU 107 HD12 LEU 107 -7.615 2.684 2.148 6 HD13 LEU 107 HD13 LEU 107 -9.358 2.714 1.882 7 HD21 LEU 107 HD21 LEU 107 -6.201 1.037 0.820 8 HD23 LEU 107 HD22 LEU 107 -6.909 1.670 -0.668 9 HD22 LEU 107 HD23 LEU 107 -7.004 -0.054 -0.308 10 H LEU 107 HN LEU 107 -10.614 -0.602 0.779 11 HB3 LEU 107 HB1 LEU 107 -7.589 0.143 2.544 No H/Q in entry = 11 In of MODEL 15 1 HA MET 108 HA MET 108 -9.044 -2.730 5.356 2 HB2 MET 108 HB2 MET 108 -11.081 -3.011 6.523 3 HG2 MET 108 HG2 MET 108 -12.508 -2.611 3.914 4 HE3 MET 108 HE1 MET 108 -14.419 -2.642 8.120 5 HE2 MET 108 HE2 MET 108 -12.677 -2.603 7.848 6 HE1 MET 108 HE3 MET 108 -13.605 -4.038 7.411 7 H MET 108 HN MET 108 -10.555 -1.562 3.260 8 HB3 MET 108 HB1 MET 108 -11.153 -1.480 5.671 9 HG3 MET 108 HG1 MET 108 -12.543 -4.041 4.945 No H/Q in entry = 9 In of MODEL 15 1 HA ALA 109 HA ALA 109 -10.865 -6.789 3.815 2 HB1 ALA 109 HB1 ALA 109 -12.593 -6.172 2.220 3 HB3 ALA 109 HB2 ALA 109 -11.630 -7.503 1.576 4 HB2 ALA 109 HB3 ALA 109 -11.374 -5.860 0.984 5 H ALA 109 HN ALA 109 -10.985 -4.151 2.763 No H/Q in entry = 5 In of MODEL 15 1 HA GLU 110 HA GLU 110 -7.197 -7.272 0.805 2 HB2 GLU 110 HB2 GLU 110 -6.777 -4.284 0.552 3 HG2 GLU 110 HG2 GLU 110 -7.359 -6.348 -1.560 4 H GLU 110 HN GLU 110 -8.948 -5.092 1.352 5 HB3 GLU 110 HB1 GLU 110 -5.644 -5.489 -0.043 6 HG3 GLU 110 HG1 GLU 110 -8.489 -5.131 -0.965 No H/Q in entry = 6 In of MODEL 15 1 HA LYS 111 HA LYS 111 -4.627 -4.910 4.142 2 HB2 LYS 111 HB2 LYS 111 -5.718 -2.967 4.777 3 HG2 LYS 111 HG2 LYS 111 -6.005 -4.799 7.141 4 HD2 LYS 111 HD2 LYS 111 -5.876 -1.797 7.158 5 HE2 LYS 111 HE2 LYS 111 -5.150 -2.701 9.221 6 HZ3 LYS 111 HZ1 LYS 111 -6.594 -4.303 10.452 7 HZ2 LYS 111 HZ2 LYS 111 -5.845 -4.953 9.079 8 HZ1 LYS 111 HZ3 LYS 111 -7.486 -4.530 9.026 9 H LYS 111 HN LYS 111 -7.166 -4.597 3.048 10 HB3 LYS 111 HB1 LYS 111 -7.200 -3.812 5.197 11 HG3 LYS 111 HG1 LYS 111 -4.625 -3.765 6.754 12 HD3 LYS 111 HD1 LYS 111 -7.393 -2.692 7.215 13 HE3 LYS 111 HE1 LYS 111 -6.815 -2.172 9.457 No H/Q in entry = 13 In of MODEL 15 1 HA ASP 112 HA ASP 112 -6.246 -7.725 7.391 2 HB2 ASP 112 HB2 ASP 112 -9.107 -7.477 6.623 3 H ASP 112 HN ASP 112 -7.677 -6.380 5.271 4 HB3 ASP 112 HB1 ASP 112 -8.635 -8.837 7.640 No H/Q in entry = 4 In of MODEL 15 1 HA SER 113 HA SER 113 -6.569 -11.286 4.572 2 HB2 SER 113 HB2 SER 113 -7.080 -9.685 2.057 3 HG SER 113 HG SER 113 -8.892 -9.621 3.303 4 H SER 113 HN SER 113 -6.732 -8.382 4.171 5 HB3 SER 113 HB1 SER 113 -7.056 -11.443 2.157 No H/Q in entry = 5 In of MODEL 15 1 HA LEU 114 HA LEU 114 -2.694 -9.846 2.308 2 HB2 LEU 114 HB2 LEU 114 -3.318 -7.348 2.585 3 HG LEU 114 HG LEU 114 -0.467 -8.271 2.326 4 HD12 LEU 114 HD11 LEU 114 -0.795 -7.547 -0.001 5 HD11 LEU 114 HD12 LEU 114 -2.459 -7.113 0.381 6 HD13 LEU 114 HD13 LEU 114 -1.943 -8.798 0.478 7 HD23 LEU 114 HD21 LEU 114 -1.464 -5.449 2.004 8 HD22 LEU 114 HD22 LEU 114 0.174 -6.031 1.705 9 HD21 LEU 114 HD23 LEU 114 -0.478 -6.031 3.342 10 H LEU 114 HN LEU 114 -4.596 -8.654 4.134 11 HB3 LEU 114 HB1 LEU 114 -2.241 -7.385 3.969 No H/Q in entry = 11 In of MODEL 15 1 HA ASP 115 HA ASP 115 -0.375 -11.769 5.412 2 HB2 ASP 115 HB2 ASP 115 0.481 -12.762 3.268 3 H ASP 115 HN ASP 115 -0.668 -10.586 2.837 4 HB3 ASP 115 HB1 ASP 115 1.716 -11.506 3.235 No H/Q in entry = 4 In of MODEL 15 1 HA PRO 116 HA PRO 116 1.380 -8.330 7.544 2 HB2 PRO 116 HB2 PRO 116 2.543 -9.695 9.607 3 HG2 PRO 116 HG2 PRO 116 2.346 -11.838 8.723 4 HD2 PRO 116 HD2 PRO 116 0.831 -12.350 7.038 5 HB3 PRO 116 HB1 PRO 116 0.805 -9.385 9.494 6 HG3 PRO 116 HG1 PRO 116 0.828 -11.715 9.636 7 HD3 PRO 116 HD1 PRO 116 -0.431 -11.303 7.722 No H/Q in entry = 7 In of MODEL 15 1 HA SER 117 HA SER 117 5.869 -10.007 7.058 2 HB2 SER 117 HB2 SER 117 5.447 -12.227 6.068 3 HG SER 117 HG SER 117 7.302 -10.535 4.762 4 H SER 117 HN SER 117 3.318 -10.898 6.278 5 HB3 SER 117 HB1 SER 117 5.093 -11.463 4.520 No H/Q in entry = 5 In of MODEL 15 1 HA PHE 118 HA PHE 118 5.665 -7.103 3.495 2 HB2 PHE 118 HB2 PHE 118 2.676 -7.187 3.015 3 HD1 PHE 118 HD1 PHE 118 5.165 -7.510 0.414 4 HD2 PHE 118 HD2 PHE 118 2.589 -9.639 3.040 5 HE1 PHE 118 HE1 PHE 118 5.432 -9.527 -0.963 6 HE2 PHE 118 HE2 PHE 118 2.850 -11.656 1.676 7 HZ PHE 118 HZ PHE 118 4.275 -11.606 -0.338 8 H PHE 118 HN PHE 118 3.628 -8.744 4.796 9 HB3 PHE 118 HB1 PHE 118 3.867 -6.353 2.026 No H/Q in entry = 9 In of MODEL 15 1 HA THR 119 HA THR 119 4.533 -4.684 7.119 2 HB THR 119 HB THR 119 7.270 -3.751 6.248 3 HG1 THR 119 HG1 THR 119 6.364 -5.849 7.778 4 HG21 THR 119 HG21 THR 119 6.029 -2.020 7.474 5 HG23 THR 119 HG22 THR 119 7.379 -2.647 8.422 6 HG22 THR 119 HG23 THR 119 5.733 -3.167 8.782 7 H THR 119 HN THR 119 6.254 -5.879 5.291 No H/Q in entry = 7 In of MODEL 15 1 HA HIS 120 HA HIS 120 4.836 -0.680 4.753 2 HB2 HIS 120 HB2 HIS 120 6.269 -1.716 2.312 3 HD1 HIS 120 HD1 HIS 120 6.605 0.445 5.428 4 HD2 HIS 120 HD2 HIS 120 8.962 -1.487 2.589 5 HE1 HIS 120 HE1 HIS 120 8.977 0.672 6.239 6 HE2 HIS 120 HE2 HIS 120 10.389 -0.525 4.532 7 H HIS 120 HN HIS 120 6.076 -3.199 4.250 8 HB3 HIS 120 HB1 HIS 120 5.732 -0.052 2.527 No H/Q in entry = 8 In of MODEL 15 1 HA ALA 121 HA ALA 121 2.009 -2.210 1.164 2 HB1 ALA 121 HB1 ALA 121 1.361 -4.424 0.577 3 HB3 ALA 121 HB2 ALA 121 2.192 -5.098 1.978 4 HB2 ALA 121 HB3 ALA 121 3.123 -4.396 0.657 5 H ALA 121 HN ALA 121 4.155 -3.366 2.550 No H/Q in entry = 5 In of MODEL 15 1 HA MET 122 HA MET 122 -0.654 -3.797 4.754 2 HB2 MET 122 HB2 MET 122 1.810 -4.404 6.344 3 HG2 MET 122 HG2 MET 122 0.427 -6.051 4.853 4 HE1 MET 122 HE1 MET 122 -2.175 -5.228 4.699 5 HE3 MET 122 HE2 MET 122 -1.973 -4.191 6.111 6 HE2 MET 122 HE3 MET 122 -3.301 -5.351 6.049 7 H MET 122 HN MET 122 2.136 -3.922 4.201 8 HB3 MET 122 HB1 MET 122 0.271 -4.208 7.171 9 HG3 MET 122 HG1 MET 122 1.145 -6.554 6.382 No H/Q in entry = 9 In of MODEL 15 1 HA GLN 123 HA GLN 123 0.721 -0.082 7.312 2 HB2 GLN 123 HB2 GLN 123 3.078 -0.159 7.549 3 HG2 GLN 123 HG2 GLN 123 2.642 2.389 6.019 4 HE21 GLN 123 HE21 GLN 123 3.830 3.641 8.421 5 HE22 GLN 123 HE22 GLN 123 5.538 3.385 8.287 6 H GLN 123 HN GLN 123 2.101 -1.777 5.519 7 HB3 GLN 123 HB1 GLN 123 3.340 0.073 5.830 8 HG3 GLN 123 HG1 GLN 123 2.333 2.163 7.738 No H/Q in entry = 8 In of MODEL 15 1 HA LEU 124 HA LEU 124 0.370 2.805 3.709 2 HB2 LEU 124 HB2 LEU 124 0.768 0.748 1.533 3 HG LEU 124 HG LEU 124 2.828 1.668 2.746 4 HD11 LEU 124 HD11 LEU 124 2.934 0.601 0.551 5 HD13 LEU 124 HD12 LEU 124 4.060 1.954 0.651 6 HD12 LEU 124 HD13 LEU 124 2.538 2.137 -0.224 7 HD23 LEU 124 HD21 LEU 124 2.016 4.148 1.232 8 HD22 LEU 124 HD22 LEU 124 3.547 3.901 2.074 9 HD21 LEU 124 HD23 LEU 124 2.037 3.966 2.985 10 H LEU 124 HN LEU 124 1.456 0.229 3.859 11 HB3 LEU 124 HB1 LEU 124 0.338 2.422 1.230 No H/Q in entry = 11 In of MODEL 15 1 HA LEU 125 HA LEU 125 -3.640 0.429 2.471 2 HB2 LEU 125 HB2 LEU 125 -2.569 -1.950 3.960 3 HG LEU 125 HG LEU 125 -2.422 -1.909 1.448 4 HD12 LEU 125 HD11 LEU 125 -4.172 -4.052 2.642 5 HD11 LEU 125 HD12 LEU 125 -2.423 -3.959 2.850 6 HD13 LEU 125 HD13 LEU 125 -3.108 -4.205 1.248 7 HD23 LEU 125 HD21 LEU 125 -5.421 -2.161 1.702 8 HD22 LEU 125 HD22 LEU 125 -4.490 -2.352 0.213 9 HD21 LEU 125 HD23 LEU 125 -4.559 -0.782 1.018 10 H LEU 125 HN LEU 125 -1.065 -0.370 3.415 11 HB3 LEU 125 HB1 LEU 125 -4.299 -1.734 3.804 No H/Q in entry = 11 In of MODEL 15 1 HA THR 126 HA THR 126 -4.466 0.552 7.105 2 HB THR 126 HB THR 126 -1.567 0.988 7.854 3 HG1 THR 126 HG1 THR 126 -1.913 -1.162 7.479 4 HG23 THR 126 HG21 THR 126 -2.982 2.279 9.349 5 HG22 THR 126 HG22 THR 126 -2.331 0.871 10.194 6 HG21 THR 126 HG23 THR 126 -4.003 0.867 9.636 7 H THR 126 HN THR 126 -2.107 0.178 5.597 No H/Q in entry = 7 In of MODEL 15 1 HA ALA 127 HA ALA 127 -2.709 5.031 7.359 2 HB1 ALA 127 HB1 ALA 127 -0.480 4.704 6.437 3 HB2 ALA 127 HB2 ALA 127 -1.211 6.205 5.864 4 HB3 ALA 127 HB3 ALA 127 -1.138 4.797 4.804 5 H ALA 127 HN ALA 127 -1.861 2.713 6.067 No H/Q in entry = 5 In of MODEL 15 1 HA GLU 128 HA GLU 128 -4.786 6.131 3.174 2 HB2 GLU 128 HB2 GLU 128 -3.957 4.303 1.708 3 HG2 GLU 128 HG2 GLU 128 -5.895 4.125 0.201 4 H GLU 128 HN GLU 128 -3.358 3.894 4.044 5 HB3 GLU 128 HB1 GLU 128 -5.231 3.264 2.323 6 HG3 GLU 128 HG1 GLU 128 -6.895 4.862 1.450 No H/Q in entry = 6 In of MODEL 15 1 HA ILE 129 HA ILE 129 -8.587 3.759 4.807 2 HB ILE 129 HB ILE 129 -6.925 2.201 6.784 3 HD13 ILE 129 HD11 ILE 129 -7.750 -0.851 4.820 4 HD12 ILE 129 HD12 ILE 129 -8.540 -0.378 6.326 5 HD11 ILE 129 HD13 ILE 129 -6.789 -0.243 6.168 6 H ILE 129 HN ILE 129 -5.834 3.237 4.870 No H/Q in entry = 6 In of MODEL 15 1 HA GLU 130 HA GLU 130 -7.618 6.026 8.987 2 HB2 GLU 130 HB2 GLU 130 -4.810 6.581 8.030 3 HG2 GLU 130 HG2 GLU 130 -5.826 5.138 10.466 4 H GLU 130 HN GLU 130 -6.054 4.704 7.074 5 HB3 GLU 130 HB1 GLU 130 -5.544 7.349 9.431 6 HG3 GLU 130 HG1 GLU 130 -5.025 4.406 9.076 No H/Q in entry = 6 In of MODEL 15 1 HA LYS 131 HA LYS 131 -6.830 9.837 6.176 2 HB2 LYS 131 HB2 LYS 131 -6.525 8.127 3.708 3 HG2 LYS 131 HG2 LYS 131 -4.580 10.043 4.969 4 HD2 LYS 131 HD2 LYS 131 -4.201 8.035 2.752 5 HE2 LYS 131 HE2 LYS 131 -2.197 8.511 4.114 6 HZ3 LYS 131 HZ1 LYS 131 -1.227 10.757 3.912 7 HZ2 LYS 131 HZ2 LYS 131 -2.645 10.732 4.842 8 HZ1 LYS 131 HZ3 LYS 131 -2.685 11.309 3.245 9 H LYS 131 HN LYS 131 -6.276 7.097 5.905 10 HB3 LYS 131 HB1 LYS 131 -6.616 9.882 3.681 11 HG3 LYS 131 HG1 LYS 131 -4.512 8.288 5.131 12 HD3 LYS 131 HD1 LYS 131 -4.420 9.769 2.506 13 HE3 LYS 131 HE1 LYS 131 -2.048 9.074 2.450 No H/Q in entry = 13 In of MODEL 15 1 HA ILE 132 HA ILE 132 -10.837 8.926 3.833 2 HB ILE 132 HB ILE 132 -11.039 5.971 4.369 3 HD13 ILE 132 HD11 ILE 132 -9.659 5.213 0.941 4 HD12 ILE 132 HD12 ILE 132 -11.370 5.523 1.235 5 HD11 ILE 132 HD13 ILE 132 -10.465 4.464 2.317 6 H ILE 132 HN ILE 132 -8.696 7.240 4.625 No H/Q in entry = 6 In of MODEL 15 1 HA GLN 133 HA GLN 133 -12.860 7.186 7.776 2 HB2 GLN 133 HB2 GLN 133 -10.218 6.403 8.986 3 HG2 GLN 133 HG2 GLN 133 -12.699 4.839 8.316 4 HE21 GLN 133 HE21 GLN 133 -12.707 2.672 8.894 5 HE22 GLN 133 HE22 GLN 133 -11.684 2.041 10.139 6 H GLN 133 HN GLN 133 -10.278 6.892 6.657 7 HB3 GLN 133 HB1 GLN 133 -11.705 6.450 9.920 8 HG3 GLN 133 HG1 GLN 133 -11.126 4.725 7.525 No H/Q in entry = 8 In of MODEL 15 1 HA LYS 134 HA LYS 134 -10.738 10.886 10.002 2 HB2 LYS 134 HB2 LYS 134 -9.325 11.564 7.421 3 HG2 LYS 134 HG2 LYS 134 -8.190 11.181 10.166 4 HD2 LYS 134 HD2 LYS 134 -6.947 11.512 7.442 5 HE2 LYS 134 HE2 LYS 134 -5.729 9.869 8.811 6 HZ2 LYS 134 HZ1 LYS 134 -4.706 10.518 10.858 7 HZ1 LYS 134 HZ2 LYS 134 -6.376 10.753 11.008 8 HZ3 LYS 134 HZ3 LYS 134 -5.355 12.083 10.756 9 H LYS 134 HN LYS 134 -10.080 9.249 7.794 10 HB3 LYS 134 HB1 LYS 134 -9.451 12.662 8.787 11 HG3 LYS 134 HG1 LYS 134 -8.185 9.949 8.903 12 HD3 LYS 134 HD1 LYS 134 -6.876 12.661 8.780 13 HE3 LYS 134 HE1 LYS 134 -4.803 11.346 8.556 No H/Q in entry = 13 In of MODEL 15 1 HA3 GLY 135 HA2 GLY 135 -12.928 13.396 6.712 2 H GLY 135 HN GLY 135 -12.013 10.697 6.775 3 HA2 GLY 135 HA1 GLY 135 -13.294 12.145 5.535 No H/Q in entry = 3 In of MODEL 15 1 H1 GLY 95 HT3 GLY 95 8.915 6.827 6.259 2 H2 GLY 95 HT2 GLY 95 8.857 5.229 6.828 3 H3 GLY 95 HT1 GLY 95 8.130 5.629 5.354 4 HA2 GLY 95 HA2 GLY 95 6.548 5.330 7.222 5 HA3 GLY 95 HA1 GLY 95 6.438 6.879 6.396 No H/Q in entry = 5 In of MODEL 15 1 HA ALA 96 HA ALA 96 7.262 7.596 10.805 2 HB2 ALA 96 HB1 ALA 96 7.989 6.255 12.702 3 HB1 ALA 96 HB2 ALA 96 8.649 5.043 11.604 4 HB3 ALA 96 HB3 ALA 96 6.910 5.335 11.653 5 H ALA 96 HN ALA 96 8.076 5.328 9.176 No H/Q in entry = 5 In of MODEL 15 1 HA MET 97 HA MET 97 11.715 8.508 10.112 2 HB2 MET 97 HB2 MET 97 11.636 7.583 12.445 3 HG2 MET 97 HG2 MET 97 14.007 7.793 12.981 4 HE3 MET 97 HE1 MET 97 15.166 11.439 12.157 5 HE2 MET 97 HE2 MET 97 15.799 9.962 11.431 6 HE1 MET 97 HE3 MET 97 15.436 10.014 13.157 7 H MET 97 HN MET 97 10.308 5.989 9.878 8 HB3 MET 97 HB1 MET 97 12.564 6.207 11.878 9 HG3 MET 97 HG1 MET 97 14.401 7.697 11.267 No H/Q in entry = 9 In of MODEL 15 1 HA GLU 98 HA GLU 98 13.771 4.802 7.951 2 HB2 GLU 98 HB2 GLU 98 11.296 4.373 6.280 3 HG2 GLU 98 HG2 GLU 98 11.119 2.195 7.566 4 H GLU 98 HN GLU 98 11.159 5.775 8.555 5 HB3 GLU 98 HB1 GLU 98 12.728 3.361 6.356 6 HG3 GLU 98 HG1 GLU 98 12.118 2.973 8.795 No H/Q in entry = 6 In of MODEL 15 1 HA PRO 99 HA PRO 99 14.752 7.842 4.855 2 HB2 PRO 99 HB2 PRO 99 17.042 6.702 3.981 3 HG2 PRO 99 HG2 PRO 99 16.890 4.618 4.969 4 HD2 PRO 99 HD2 PRO 99 15.325 4.182 6.582 5 HB3 PRO 99 HB1 PRO 99 16.939 7.553 5.528 6 HG3 PRO 99 HG1 PRO 99 17.702 5.497 6.276 7 HD3 PRO 99 HD1 PRO 99 15.808 5.576 7.561 No H/Q in entry = 7 In of MODEL 15 1 HA GLU 100 HA GLU 100 12.688 6.043 1.539 2 HB2 GLU 100 HB2 GLU 100 13.940 8.453 0.221 3 HG2 GLU 100 HG2 GLU 100 11.584 9.397 0.526 4 H GLU 100 HN GLU 100 14.168 8.028 2.811 5 HB3 GLU 100 HB1 GLU 100 12.578 7.524 -0.383 6 HG3 GLU 100 HG1 GLU 100 11.414 8.198 1.806 No H/Q in entry = 6 In of MODEL 15 1 HA ASN 101 HA ASN 101 16.713 5.599 -1.089 2 HB2 ASN 101 HB2 ASN 101 18.275 6.995 0.242 3 HD21 ASN 101 HD21 ASN 101 18.196 5.319 -2.088 4 HD22 ASN 101 HD22 ASN 101 19.783 4.678 -2.313 5 H ASN 101 HN ASN 101 16.062 6.836 1.308 6 HB3 ASN 101 HB1 ASN 101 18.430 5.677 1.399 No H/Q in entry = 6 In of MODEL 15 1 HA LYS 102 HA LYS 102 16.916 1.532 1.038 2 HB2 LYS 102 HB2 LYS 102 16.577 2.532 3.866 3 HG2 LYS 102 HG2 LYS 102 19.082 1.659 2.448 4 HD2 LYS 102 HD2 LYS 102 18.616 2.993 5.106 5 HE2 LYS 102 HE2 LYS 102 21.152 2.181 3.699 6 HZ2 LYS 102 HZ1 LYS 102 21.326 1.787 6.055 7 HZ1 LYS 102 HZ2 LYS 102 20.742 3.335 6.406 8 HZ3 LYS 102 HZ3 LYS 102 22.246 3.147 5.644 9 H LYS 102 HN LYS 102 16.350 4.172 2.127 10 HB3 LYS 102 HB1 LYS 102 17.033 0.887 3.421 11 HG3 LYS 102 HG1 LYS 102 18.604 3.340 2.673 12 HD3 LYS 102 HD1 LYS 102 19.155 1.332 4.849 13 HE3 LYS 102 HE1 LYS 102 20.621 3.830 4.021 No H/Q in entry = 13 In of MODEL 15 1 HA TYR 103 HA TYR 103 12.415 1.525 2.827 2 HB2 TYR 103 HB2 TYR 103 12.201 3.778 3.609 3 HD1 TYR 103 HD1 TYR 103 10.404 5.154 1.004 4 HD2 TYR 103 HD2 TYR 103 10.114 2.115 3.959 5 HE1 TYR 103 HE1 TYR 103 7.961 5.271 0.854 6 HE2 TYR 103 HE2 TYR 103 7.660 2.220 3.829 7 HH TYR 103 HH TYR 103 6.015 4.032 1.382 8 H TYR 103 HN TYR 103 14.366 3.469 2.326 9 HB3 TYR 103 HB1 TYR 103 12.313 4.414 1.981 No H/Q in entry = 9 In of MODEL 15 1 HA LEU 104 HA LEU 104 11.404 2.382 -1.809 2 HB2 LEU 104 HB2 LEU 104 13.093 3.994 -2.415 3 HG LEU 104 HG LEU 104 13.251 1.714 -4.388 4 HD13 LEU 104 HD11 LEU 104 11.432 2.868 -5.539 5 HD12 LEU 104 HD12 LEU 104 11.352 4.046 -4.229 6 HD11 LEU 104 HD13 LEU 104 10.951 2.358 -3.919 7 HD21 LEU 104 HD21 LEU 104 14.994 3.422 -4.687 8 HD23 LEU 104 HD22 LEU 104 13.744 4.666 -4.749 9 HD22 LEU 104 HD23 LEU 104 13.819 3.430 -6.004 10 H LEU 104 HN LEU 104 13.606 2.918 -0.140 11 HB3 LEU 104 HB1 LEU 104 14.327 2.752 -2.441 No H/Q in entry = 11 In of MODEL 15 1 HA PRO 105 HA PRO 105 13.790 -1.596 -3.280 2 HB2 PRO 105 HB2 PRO 105 15.509 -2.692 -1.432 3 HG2 PRO 105 HG2 PRO 105 15.366 -0.938 0.117 4 HD2 PRO 105 HD2 PRO 105 14.780 1.234 -0.520 5 HB3 PRO 105 HB1 PRO 105 16.036 -1.617 -2.735 6 HG3 PRO 105 HG1 PRO 105 16.783 -0.457 -0.827 7 HD3 PRO 105 HD1 PRO 105 15.547 1.069 -2.117 No H/Q in entry = 7 In of MODEL 15 1 HA GLU 106 HA GLU 106 12.080 -3.692 0.711 2 HB2 GLU 106 HB2 GLU 106 11.139 -1.037 1.787 3 HG2 GLU 106 HG2 GLU 106 13.442 -2.782 2.550 4 H GLU 106 HN GLU 106 13.071 -1.127 0.138 5 HB3 GLU 106 HB1 GLU 106 10.849 -2.613 2.508 6 HG3 GLU 106 HG1 GLU 106 13.377 -1.033 2.347 No H/Q in entry = 6 In of MODEL 15 1 HA LEU 107 HA LEU 107 7.914 -1.742 -0.685 2 HB2 LEU 107 HB2 LEU 107 9.292 0.305 -2.427 3 HG LEU 107 HG LEU 107 9.132 0.870 0.034 4 HD12 LEU 107 HD11 LEU 107 8.301 3.130 -0.432 5 HD11 LEU 107 HD12 LEU 107 7.636 2.564 -1.965 6 HD13 LEU 107 HD13 LEU 107 9.381 2.557 -1.702 7 HD21 LEU 107 HD21 LEU 107 6.195 0.929 -0.649 8 HD23 LEU 107 HD22 LEU 107 6.916 1.532 0.845 9 HD22 LEU 107 HD23 LEU 107 6.979 -0.190 0.467 10 H LEU 107 HN LEU 107 10.574 -0.797 -0.628 11 HB3 LEU 107 HB1 LEU 107 7.564 0.023 -2.386 No H/Q in entry = 11 In of MODEL 15 1 HA MET 108 HA MET 108 8.959 -2.861 -5.225 2 HB2 MET 108 HB2 MET 108 10.989 -3.165 -6.396 3 HG2 MET 108 HG2 MET 108 12.430 -2.809 -3.789 4 HE3 MET 108 HE1 MET 108 14.333 -2.857 -7.996 5 HE2 MET 108 HE2 MET 108 12.592 -2.787 -7.723 6 HE1 MET 108 HE3 MET 108 13.493 -4.239 -7.288 7 H MET 108 HN MET 108 10.491 -1.733 -3.123 8 HB3 MET 108 HB1 MET 108 11.088 -1.641 -5.534 9 HG3 MET 108 HG1 MET 108 12.437 -4.233 -4.829 No H/Q in entry = 9 In of MODEL 15 1 HA ALA 109 HA ALA 109 10.708 -6.961 -3.711 2 HB1 ALA 109 HB1 ALA 109 12.451 -6.387 -2.116 3 HB2 ALA 109 HB2 ALA 109 11.464 -7.704 -1.477 4 HB3 ALA 109 HB3 ALA 109 11.240 -6.060 -0.875 5 H ALA 109 HN ALA 109 10.869 -4.335 -2.635 No H/Q in entry = 5 In of MODEL 15 1 HA GLU 110 HA GLU 110 7.032 -7.396 -0.701 2 HB2 GLU 110 HB2 GLU 110 6.669 -4.405 -0.424 3 HG2 GLU 110 HG2 GLU 110 7.211 -6.495 1.674 4 H GLU 110 HN GLU 110 8.828 -5.249 -1.228 5 HB3 GLU 110 HB1 GLU 110 5.514 -5.593 0.161 6 HG3 GLU 110 HG1 GLU 110 8.365 -5.297 1.087 No H/Q in entry = 6 In of MODEL 15 1 HA LYS 111 HA LYS 111 4.505 -4.958 -4.015 2 HB2 LYS 111 HB2 LYS 111 5.632 -3.030 -4.637 3 HG2 LYS 111 HG2 LYS 111 5.885 -4.852 -7.013 4 HD2 LYS 111 HD2 LYS 111 5.817 -1.848 -7.010 5 HE2 LYS 111 HE2 LYS 111 5.062 -2.724 -9.074 6 HZ3 LYS 111 HZ1 LYS 111 6.451 -4.336 -10.330 7 HZ2 LYS 111 HZ2 LYS 111 5.712 -4.989 -8.955 8 HZ1 LYS 111 HZ3 LYS 111 7.364 -4.602 -8.923 9 H LYS 111 HN LYS 111 7.047 -4.693 -2.923 10 HB3 LYS 111 HB1 LYS 111 7.097 -3.901 -5.064 11 HG3 LYS 111 HG1 LYS 111 4.525 -3.794 -6.619 12 HD3 LYS 111 HD1 LYS 111 7.314 -2.775 -7.080 13 HE3 LYS 111 HE1 LYS 111 6.737 -2.225 -9.315 No H/Q in entry = 13 In of MODEL 15 1 HA ASP 112 HA ASP 112 6.064 -7.777 -7.289 2 HB2 ASP 112 HB2 ASP 112 8.930 -7.584 -6.522 3 H ASP 112 HN ASP 112 7.521 -6.473 -5.163 4 HB3 ASP 112 HB1 ASP 112 8.432 -8.931 -7.543 No H/Q in entry = 4 In of MODEL 15 1 HA SER 113 HA SER 113 6.311 -11.364 -4.504 2 HB2 SER 113 HB2 SER 113 6.875 -9.798 -1.979 3 HG SER 113 HG SER 113 8.696 -9.764 -3.185 4 H SER 113 HN SER 113 6.536 -8.469 -4.072 5 HB3 SER 113 HB1 SER 113 6.806 -11.555 -2.091 No H/Q in entry = 5 In of MODEL 15 1 HA LEU 114 HA LEU 114 2.480 -9.863 -2.222 2 HB2 LEU 114 HB2 LEU 114 3.152 -7.380 -2.481 3 HG LEU 114 HG LEU 114 0.288 -8.255 -2.226 4 HD12 LEU 114 HD11 LEU 114 0.633 -7.552 0.108 5 HD11 LEU 114 HD12 LEU 114 2.308 -7.155 -0.272 6 HD13 LEU 114 HD13 LEU 114 1.751 -8.826 -0.382 7 HD23 LEU 114 HD21 LEU 114 1.334 -5.454 -1.878 8 HD22 LEU 114 HD22 LEU 114 -0.313 -6.012 -1.584 9 HD21 LEU 114 HD23 LEU 114 0.337 -6.006 -3.221 10 H LEU 114 HN LEU 114 4.401 -8.699 -4.038 11 HB3 LEU 114 HB1 LEU 114 2.073 -7.384 -3.864 No H/Q in entry = 11 In of MODEL 15 1 HA ASP 115 HA ASP 115 0.116 -11.731 -5.332 2 HB2 ASP 115 HB2 ASP 115 -0.737 -12.702 -3.179 3 H ASP 115 HN ASP 115 0.425 -10.544 -2.757 4 HB3 ASP 115 HB1 ASP 115 -1.955 -11.432 -3.147 No H/Q in entry = 4 In of MODEL 15 1 HA PRO 116 HA PRO 116 -1.568 -8.245 -7.436 2 HB2 PRO 116 HB2 PRO 116 -2.763 -9.570 -9.503 3 HG2 PRO 116 HG2 PRO 116 -2.607 -11.725 -8.637 4 HD2 PRO 116 HD2 PRO 116 -1.093 -12.279 -6.964 5 HB3 PRO 116 HB1 PRO 116 -1.020 -9.295 -9.395 6 HG3 PRO 116 HG1 PRO 116 -1.090 -11.626 -9.556 7 HD3 PRO 116 HD1 PRO 116 0.184 -11.248 -7.643 No H/Q in entry = 7 In of MODEL 15 1 HA SER 117 HA SER 117 -6.090 -9.828 -6.963 2 HB2 SER 117 HB2 SER 117 -5.714 -12.067 -5.994 3 HG SER 117 HG SER 117 -7.546 -10.354 -4.685 4 H SER 117 HN SER 117 -3.562 -10.783 -6.194 5 HB3 SER 117 HB1 SER 117 -5.350 -11.323 -4.437 No H/Q in entry = 5 In of MODEL 15 1 HA PHE 118 HA PHE 118 -5.828 -6.962 -3.370 2 HB2 PHE 118 HB2 PHE 118 -2.842 -7.112 -2.903 3 HD1 PHE 118 HD1 PHE 118 -5.333 -7.402 -0.301 4 HD2 PHE 118 HD2 PHE 118 -2.804 -9.562 -2.946 5 HE1 PHE 118 HE1 PHE 118 -5.632 -9.421 1.064 6 HE2 PHE 118 HE2 PHE 118 -3.103 -11.583 -1.596 7 HZ PHE 118 HZ PHE 118 -4.521 -11.521 0.420 8 H PHE 118 HN PHE 118 -3.824 -8.626 -4.691 9 HB3 PHE 118 HB1 PHE 118 -4.010 -6.258 -1.900 No H/Q in entry = 9 In of MODEL 15 1 HA THR 119 HA THR 119 -4.654 -4.540 -6.978 2 HB THR 119 HB THR 119 -7.370 -3.561 -6.102 3 HG1 THR 119 HG1 THR 119 -6.509 -5.670 -7.639 4 HG21 THR 119 HG21 THR 119 -6.101 -1.842 -7.315 5 HG23 THR 119 HG22 THR 119 -7.458 -2.439 -8.269 6 HG22 THR 119 HG23 THR 119 -5.819 -2.983 -8.631 7 H THR 119 HN THR 119 -6.396 -5.710 -5.161 No H/Q in entry = 7 In of MODEL 15 1 HA HIS 120 HA HIS 120 -4.876 -0.546 -4.585 2 HB2 HIS 120 HB2 HIS 120 -6.331 -1.577 -2.155 3 HD1 HIS 120 HD1 HIS 120 -6.626 0.619 -5.252 4 HD2 HIS 120 HD2 HIS 120 -9.017 -1.285 -2.425 5 HE1 HIS 120 HE1 HIS 120 -8.996 0.901 -6.058 6 HE2 HIS 120 HE2 HIS 120 -10.426 -0.310 -4.369 7 H HIS 120 HN HIS 120 -6.154 -3.052 -4.089 8 HB3 HIS 120 HB1 HIS 120 -5.759 0.077 -2.345 No H/Q in entry = 8 In of MODEL 15 1 HA ALA 121 HA ALA 121 -2.073 -2.160 -1.010 2 HB3 ALA 121 HB1 ALA 121 -1.471 -4.392 -0.444 3 HB2 ALA 121 HB2 ALA 121 -2.314 -5.036 -1.854 4 HB1 ALA 121 HB3 ALA 121 -3.233 -4.331 -0.526 5 H ALA 121 HN ALA 121 -4.246 -3.258 -2.401 No H/Q in entry = 5 In of MODEL 15 1 HA MET 122 HA MET 122 0.549 -3.769 -4.620 2 HB2 MET 122 HB2 MET 122 -1.927 -4.313 -6.213 3 HG2 MET 122 HG2 MET 122 -0.566 -5.995 -4.735 4 HE1 MET 122 HE1 MET 122 2.047 -5.231 -4.575 5 HE3 MET 122 HE2 MET 122 1.868 -4.173 -5.974 6 HE2 MET 122 HE3 MET 122 3.172 -5.362 -5.926 7 H MET 122 HN MET 122 -2.238 -3.851 -4.056 8 HB3 MET 122 HB1 MET 122 -0.383 -4.137 -7.038 9 HG3 MET 122 HG1 MET 122 -1.299 -6.476 -6.262 No H/Q in entry = 9 In of MODEL 15 1 HA GLN 123 HA GLN 123 -0.756 -0.008 -7.140 2 HB2 GLN 123 HB2 GLN 123 -3.109 -0.036 -7.375 3 HG2 GLN 123 HG2 GLN 123 -2.628 2.489 -5.826 4 HE21 GLN 123 HE21 GLN 123 -3.806 3.784 -8.205 5 HE22 GLN 123 HE22 GLN 123 -5.517 3.550 -8.071 6 H GLN 123 HN GLN 123 -2.168 -1.690 -5.359 7 HB3 GLN 123 HB1 GLN 123 -3.368 0.185 -5.653 8 HG3 GLN 123 HG1 GLN 123 -2.326 2.272 -7.546 No H/Q in entry = 8 In of MODEL 15 1 HA LEU 124 HA LEU 124 -0.346 2.849 -3.513 2 HB2 LEU 124 HB2 LEU 124 -0.781 0.775 -1.357 3 HG LEU 124 HG LEU 124 -2.822 1.746 -2.558 4 HD11 LEU 124 HD11 LEU 124 -2.946 0.661 -0.371 5 HD13 LEU 124 HD12 LEU 124 -4.049 2.036 -0.457 6 HD12 LEU 124 HD13 LEU 124 -2.524 2.182 0.418 7 HD23 LEU 124 HD21 LEU 124 -1.963 4.200 -1.027 8 HD22 LEU 124 HD22 LEU 124 -3.499 3.989 -1.870 9 HD21 LEU 124 HD23 LEU 124 -1.989 4.030 -2.782 10 H LEU 124 HN LEU 124 -1.481 0.298 -3.683 11 HB3 LEU 124 HB1 LEU 124 -0.317 2.438 -1.037 No H/Q in entry = 11 In of MODEL 15 1 HA LEU 125 HA LEU 125 3.620 0.384 -2.303 2 HB2 LEU 125 HB2 LEU 125 2.504 -1.969 -3.804 3 HG LEU 125 HG LEU 125 2.365 -1.938 -1.292 4 HD12 LEU 125 HD11 LEU 125 4.063 -4.105 -2.511 5 HD11 LEU 125 HD12 LEU 125 2.317 -3.974 -2.707 6 HD13 LEU 125 HD13 LEU 125 3.005 -4.250 -1.111 7 HD21 LEU 125 HD21 LEU 125 5.359 -2.247 -1.554 8 HD23 LEU 125 HD22 LEU 125 4.424 -2.435 -0.068 9 HD22 LEU 125 HD23 LEU 125 4.522 -0.858 -0.854 10 H LEU 125 HN LEU 125 1.031 -0.358 -3.252 11 HB3 LEU 125 HB1 LEU 125 4.238 -1.786 -3.652 No H/Q in entry = 11 In of MODEL 15 1 HA THR 126 HA THR 126 4.448 0.531 -6.939 2 HB THR 126 HB THR 126 1.557 1.023 -7.677 3 HG1 THR 126 HG1 THR 126 1.842 -1.129 -7.326 4 HG23 THR 126 HG21 THR 126 2.995 2.300 -9.162 5 HG22 THR 126 HG22 THR 126 2.316 0.916 -10.019 6 HG21 THR 126 HG23 THR 126 3.990 0.873 -9.462 7 H THR 126 HN THR 126 2.081 0.185 -5.432 No H/Q in entry = 7 In of MODEL 15 1 HA ALA 127 HA ALA 127 2.771 5.036 -7.156 2 HB1 ALA 127 HB1 ALA 127 0.536 4.747 -6.237 3 HB3 ALA 127 HB2 ALA 127 1.293 6.228 -5.649 4 HB2 ALA 127 HB3 ALA 127 1.195 4.813 -4.603 5 H ALA 127 HN ALA 127 1.882 2.728 -5.874 No H/Q in entry = 5 In of MODEL 15 1 HA GLU 128 HA GLU 128 4.872 6.069 -2.965 2 HB2 GLU 128 HB2 GLU 128 4.011 4.249 -1.507 3 HG2 GLU 128 HG2 GLU 128 5.946 4.027 -0.002 4 H GLU 128 HN GLU 128 3.401 3.864 -3.847 5 HB3 GLU 128 HB1 GLU 128 5.264 3.191 -2.131 6 HG3 GLU 128 HG1 GLU 128 6.962 4.745 -1.249 No H/Q in entry = 6 In of MODEL 15 1 HA ILE 129 HA ILE 129 8.626 3.639 -4.617 2 HB ILE 129 HB ILE 129 6.936 2.122 -6.605 3 HD13 ILE 129 HD11 ILE 129 7.704 -0.954 -4.664 4 HD12 ILE 129 HD12 ILE 129 8.501 -0.490 -6.168 5 HD11 ILE 129 HD13 ILE 129 6.751 -0.319 -6.005 6 H ILE 129 HN ILE 129 5.862 3.174 -4.687 No H/Q in entry = 6 In of MODEL 15 1 HA GLU 130 HA GLU 130 7.697 5.958 -8.780 2 HB2 GLU 130 HB2 GLU 130 4.898 6.554 -7.814 3 HG2 GLU 130 HG2 GLU 130 5.885 5.115 -10.266 4 H GLU 130 HN GLU 130 6.115 4.647 -6.879 5 HB3 GLU 130 HB1 GLU 130 5.643 7.320 -9.210 6 HG3 GLU 130 HG1 GLU 130 5.076 4.383 -8.881 No H/Q in entry = 6 In of MODEL 15 1 HA LYS 131 HA LYS 131 6.987 9.764 -5.937 2 HB2 LYS 131 HB2 LYS 131 6.648 8.036 -3.484 3 HG2 LYS 131 HG2 LYS 131 4.741 10.000 -4.733 4 HD2 LYS 131 HD2 LYS 131 4.330 7.991 -2.523 5 HE2 LYS 131 HE2 LYS 131 2.328 8.512 -3.868 6 HZ3 LYS 131 HZ1 LYS 131 1.400 10.775 -3.645 7 HZ2 LYS 131 HZ2 LYS 131 2.805 10.727 -4.592 8 HZ1 LYS 131 HZ3 LYS 131 2.877 11.300 -2.995 9 H LYS 131 HN LYS 131 6.383 7.026 -5.684 10 HB3 LYS 131 HB1 LYS 131 6.772 9.790 -3.440 11 HG3 LYS 131 HG1 LYS 131 4.637 8.247 -4.901 12 HD3 LYS 131 HD1 LYS 131 4.584 9.718 -2.270 13 HE3 LYS 131 HE1 LYS 131 2.200 9.069 -2.201 No H/Q in entry = 13 In of MODEL 15 1 HA ILE 132 HA ILE 132 10.975 8.752 -3.605 2 HB ILE 132 HB ILE 132 11.118 5.799 -4.167 3 HD13 ILE 132 HD11 ILE 132 9.730 5.042 -0.741 4 HD12 ILE 132 HD12 ILE 132 11.447 5.319 -1.038 5 HD11 ILE 132 HD13 ILE 132 10.518 4.287 -2.126 6 H ILE 132 HN ILE 132 8.807 7.109 -4.420 No H/Q in entry = 6 In of MODEL 15 1 HA GLN 133 HA GLN 133 12.960 7.002 -7.564 2 HB2 GLN 133 HB2 GLN 133 10.306 6.282 -8.791 3 HG2 GLN 133 HG2 GLN 133 12.757 4.666 -8.127 4 HE21 GLN 133 HE21 GLN 133 12.741 2.519 -8.719 5 HE22 GLN 133 HE22 GLN 133 11.707 1.896 -9.957 6 H GLN 133 HN GLN 133 10.368 6.759 -6.450 7 HB3 GLN 133 HB1 GLN 133 11.800 6.309 -9.715 8 HG3 GLN 133 HG1 GLN 133 11.184 4.579 -7.337 No H/Q in entry = 8 In of MODEL 15 1 HA LYS 134 HA LYS 134 10.907 10.765 -9.762 2 HB2 LYS 134 HB2 LYS 134 9.509 11.438 -7.174 3 HG2 LYS 134 HG2 LYS 134 8.364 11.112 -9.921 4 HD2 LYS 134 HD2 LYS 134 7.139 11.440 -7.188 5 HE2 LYS 134 HE2 LYS 134 5.894 9.830 -8.579 6 HZ2 LYS 134 HZ1 LYS 134 4.874 10.508 -10.602 7 HZ1 LYS 134 HZ2 LYS 134 6.539 10.784 -10.763 8 HZ3 LYS 134 HZ3 LYS 134 5.487 12.083 -10.464 9 H LYS 134 HN LYS 134 10.219 9.115 -7.577 10 HB3 LYS 134 HB1 LYS 134 9.653 12.551 -8.526 11 HG3 LYS 134 HG1 LYS 134 8.337 9.865 -8.671 12 HD3 LYS 134 HD1 LYS 134 7.085 12.602 -8.515 13 HE3 LYS 134 HE1 LYS 134 4.991 11.313 -8.281 No H/Q in entry = 13 In of MODEL 15 1 HA3 GLY 135 HA2 GLY 135 13.155 13.202 -6.444 2 H GLY 135 HN GLY 135 12.182 10.523 -6.544 3 HA2 GLY 135 HA1 GLY 135 13.502 11.923 -5.293 No H/Q in entry = 3 In of MODEL 16 1 H1 GLY 95 HT2 GLY 95 -10.857 10.108 -15.733 2 H2 GLY 95 HT1 GLY 95 -9.283 9.811 -16.281 3 H3 GLY 95 HT3 GLY 95 -10.578 8.909 -16.900 4 HA3 GLY 95 HA1 GLY 95 -9.359 7.583 -15.327 5 HA2 GLY 95 HA2 GLY 95 -9.543 8.847 -14.118 No H/Q in entry = 5 In of MODEL 16 1 HA ALA 96 HA ALA 96 -13.231 6.167 -13.983 2 HB1 ALA 96 HB1 ALA 96 -11.924 4.099 -14.084 3 HB3 ALA 96 HB2 ALA 96 -13.106 4.046 -12.778 4 HB2 ALA 96 HB3 ALA 96 -11.405 4.340 -12.416 5 H ALA 96 HN ALA 96 -10.358 6.294 -13.570 No H/Q in entry = 5 In of MODEL 16 1 HA MET 97 HA MET 97 -11.049 7.697 -9.418 2 HB2 MET 97 HB2 MET 97 -12.509 9.674 -9.028 3 HG2 MET 97 HG2 MET 97 -13.286 9.313 -11.912 4 HE1 MET 97 HE1 MET 97 -15.979 10.989 -11.686 5 HE3 MET 97 HE2 MET 97 -14.879 11.107 -13.059 6 HE2 MET 97 HE3 MET 97 -15.439 12.571 -12.250 7 H MET 97 HN MET 97 -10.937 7.159 -11.627 8 HB3 MET 97 HB1 MET 97 -11.422 9.789 -10.394 9 HG3 MET 97 HG1 MET 97 -14.373 9.205 -10.529 No H/Q in entry = 9 In of MODEL 16 1 HA GLU 98 HA GLU 98 -14.326 5.032 -8.056 2 HB2 GLU 98 HB2 GLU 98 -11.772 4.175 -6.679 3 HG2 GLU 98 HG2 GLU 98 -13.346 2.839 -8.868 4 H GLU 98 HN GLU 98 -11.617 5.836 -8.482 5 HB3 GLU 98 HB1 GLU 98 -13.332 3.388 -6.481 6 HG3 GLU 98 HG1 GLU 98 -11.766 3.602 -9.042 No H/Q in entry = 6 In of MODEL 16 1 HA PRO 99 HA PRO 99 -15.292 7.776 -4.722 2 HB2 PRO 99 HB2 PRO 99 -17.359 6.326 -3.659 3 HG2 PRO 99 HG2 PRO 99 -17.148 4.390 -4.904 4 HD2 PRO 99 HD2 PRO 99 -15.822 4.294 -6.780 5 HB3 PRO 99 HB1 PRO 99 -17.515 7.349 -5.089 6 HG3 PRO 99 HG1 PRO 99 -18.189 5.326 -5.997 7 HD3 PRO 99 HD1 PRO 99 -16.443 5.825 -7.425 No H/Q in entry = 7 In of MODEL 16 1 HA GLU 100 HA GLU 100 -12.860 5.833 -1.714 2 HB2 GLU 100 HB2 GLU 100 -13.477 8.532 -0.536 3 HG2 GLU 100 HG2 GLU 100 -11.225 7.470 -2.205 4 H GLU 100 HN GLU 100 -14.291 7.957 -2.845 5 HB3 GLU 100 HB1 GLU 100 -12.300 7.394 0.113 6 HG3 GLU 100 HG1 GLU 100 -12.211 8.904 -2.475 No H/Q in entry = 6 In of MODEL 16 1 HA ASN 101 HA ASN 101 -16.700 5.839 1.230 2 HB2 ASN 101 HB2 ASN 101 -18.247 7.173 -0.180 3 HD21 ASN 101 HD21 ASN 101 -18.226 5.724 2.272 4 HD22 ASN 101 HD22 ASN 101 -19.821 5.099 2.528 5 H ASN 101 HN ASN 101 -16.053 6.954 -1.211 6 HB3 ASN 101 HB1 ASN 101 -18.424 5.789 -1.255 No H/Q in entry = 6 In of MODEL 16 1 HA LYS 102 HA LYS 102 -16.906 1.651 -0.606 2 HB2 LYS 102 HB2 LYS 102 -16.861 2.532 -3.484 3 HG2 LYS 102 HG2 LYS 102 -19.054 1.395 -1.763 4 HD2 LYS 102 HD2 LYS 102 -19.133 2.395 -4.605 5 HE2 LYS 102 HE2 LYS 102 -21.249 1.207 -2.816 6 HZ2 LYS 102 HZ1 LYS 102 -22.728 1.500 -4.662 7 HZ1 LYS 102 HZ2 LYS 102 -21.448 0.493 -5.144 8 HZ3 LYS 102 HZ3 LYS 102 -21.484 2.115 -5.632 9 H LYS 102 HN LYS 102 -16.364 4.217 -1.901 10 HB3 LYS 102 HB1 LYS 102 -17.014 0.842 -3.003 11 HG3 LYS 102 HG1 LYS 102 -18.903 3.075 -2.281 12 HD3 LYS 102 HD1 LYS 102 -19.217 0.700 -4.115 13 HE3 LYS 102 HE1 LYS 102 -21.178 2.874 -3.386 No H/Q in entry = 13 In of MODEL 16 1 HA TYR 103 HA TYR 103 -12.453 1.535 -2.475 2 HB2 TYR 103 HB2 TYR 103 -12.220 3.813 -3.255 3 HD1 TYR 103 HD1 TYR 103 -10.157 2.097 -3.652 4 HD2 TYR 103 HD2 TYR 103 -10.382 5.116 -0.674 5 HE1 TYR 103 HE1 TYR 103 -7.700 2.185 -3.559 6 HE2 TYR 103 HE2 TYR 103 -7.940 5.212 -0.540 7 HH TYR 103 HH TYR 103 -5.999 3.954 -1.110 8 H TYR 103 HN TYR 103 -14.390 3.511 -1.997 9 HB3 TYR 103 HB1 TYR 103 -12.287 4.407 -1.613 No H/Q in entry = 9 In of MODEL 16 1 HA LEU 104 HA LEU 104 -11.504 2.447 2.168 2 HB2 LEU 104 HB2 LEU 104 -13.207 4.043 2.762 3 HG LEU 104 HG LEU 104 -13.369 1.714 4.679 4 HD12 LEU 104 HD11 LEU 104 -11.625 4.169 4.691 5 HD11 LEU 104 HD12 LEU 104 -11.093 2.535 4.309 6 HD13 LEU 104 HD13 LEU 104 -11.666 2.919 5.933 7 HD21 LEU 104 HD21 LEU 104 -15.231 3.272 4.971 8 HD23 LEU 104 HD22 LEU 104 -14.092 4.619 5.063 9 HD22 LEU 104 HD23 LEU 104 -14.092 3.377 6.316 10 H LEU 104 HN LEU 104 -13.670 2.980 0.463 11 HB3 LEU 104 HB1 LEU 104 -14.444 2.804 2.727 No H/Q in entry = 11 In of MODEL 16 1 HA PRO 105 HA PRO 105 -13.842 -1.585 3.507 2 HB2 PRO 105 HB2 PRO 105 -15.598 -2.626 1.666 3 HG2 PRO 105 HG2 PRO 105 -15.544 -0.832 0.173 4 HD2 PRO 105 HD2 PRO 105 -14.876 1.303 0.823 5 HB3 PRO 105 HB1 PRO 105 -16.090 -1.601 3.021 6 HG3 PRO 105 HG1 PRO 105 -16.909 -0.362 1.210 7 HD3 PRO 105 HD1 PRO 105 -15.619 1.149 2.430 No H/Q in entry = 7 In of MODEL 16 1 HA GLU 106 HA GLU 106 -12.132 -3.460 -0.617 2 HB2 GLU 106 HB2 GLU 106 -11.383 -0.663 -1.473 3 HG2 GLU 106 HG2 GLU 106 -13.658 -2.067 -2.069 4 H GLU 106 HN GLU 106 -13.176 -0.966 0.098 5 HB3 GLU 106 HB1 GLU 106 -10.753 -2.113 -2.236 6 HG3 GLU 106 HG1 GLU 106 -12.977 -0.736 -3.003 No H/Q in entry = 6 In of MODEL 16 1 HA LEU 107 HA LEU 107 -7.977 -1.609 0.945 2 HB2 LEU 107 HB2 LEU 107 -9.353 0.453 2.664 3 HG LEU 107 HG LEU 107 -9.152 1.067 0.243 4 HD12 LEU 107 HD11 LEU 107 -8.163 3.261 0.722 5 HD11 LEU 107 HD12 LEU 107 -7.521 2.632 2.240 6 HD13 LEU 107 HD13 LEU 107 -9.265 2.742 1.998 7 HD23 LEU 107 HD21 LEU 107 -6.204 0.944 0.878 8 HD22 LEU 107 HD22 LEU 107 -6.918 1.602 -0.596 9 HD21 LEU 107 HD23 LEU 107 -7.070 -0.119 -0.234 10 H LEU 107 HN LEU 107 -10.625 -0.612 0.855 11 HB3 LEU 107 HB1 LEU 107 -7.630 0.137 2.671 No H/Q in entry = 11 In of MODEL 16 1 HA MET 108 HA MET 108 -9.091 -2.746 5.446 2 HB2 MET 108 HB2 MET 108 -11.139 -3.083 6.591 3 HG2 MET 108 HG2 MET 108 -12.576 -2.502 4.018 4 HE2 MET 108 HE1 MET 108 -14.435 -0.215 6.659 5 HE1 MET 108 HE2 MET 108 -13.615 -0.247 5.096 6 HE3 MET 108 HE3 MET 108 -12.697 -0.502 6.579 7 H MET 108 HN MET 108 -10.600 -1.582 3.344 8 HB3 MET 108 HB1 MET 108 -11.190 -1.523 5.793 9 HG3 MET 108 HG1 MET 108 -12.552 -4.040 4.880 No H/Q in entry = 9 In of MODEL 16 1 HA ALA 109 HA ALA 109 -10.880 -6.807 3.875 2 HB2 ALA 109 HB1 ALA 109 -11.366 -5.842 1.048 3 HB1 ALA 109 HB2 ALA 109 -12.589 -6.228 2.261 4 HB3 ALA 109 HB3 ALA 109 -11.579 -7.509 1.591 5 H ALA 109 HN ALA 109 -10.997 -4.170 2.829 No H/Q in entry = 5 In of MODEL 16 1 HA GLU 110 HA GLU 110 -7.166 -7.277 0.957 2 HB2 GLU 110 HB2 GLU 110 -6.773 -4.299 0.610 3 HG2 GLU 110 HG2 GLU 110 -7.356 -6.454 -1.408 4 H GLU 110 HN GLU 110 -8.936 -5.097 1.444 5 HB3 GLU 110 HB1 GLU 110 -5.624 -5.511 0.065 6 HG3 GLU 110 HG1 GLU 110 -8.457 -5.175 -0.896 No H/Q in entry = 6 In of MODEL 16 1 HA LYS 111 HA LYS 111 -4.655 -4.939 4.296 2 HB2 LYS 111 HB2 LYS 111 -5.674 -2.900 4.819 3 HG2 LYS 111 HG2 LYS 111 -6.086 -4.524 7.317 4 HD2 LYS 111 HD2 LYS 111 -5.463 -1.595 7.024 5 HE2 LYS 111 HE2 LYS 111 -6.133 -1.499 9.379 6 HZ3 LYS 111 HZ1 LYS 111 -4.024 -3.551 8.956 7 HZ2 LYS 111 HZ2 LYS 111 -4.210 -2.559 10.317 8 HZ1 LYS 111 HZ3 LYS 111 -3.779 -1.877 8.829 9 H LYS 111 HN LYS 111 -7.197 -4.558 3.172 10 HB3 LYS 111 HB1 LYS 111 -7.174 -3.666 5.317 11 HG3 LYS 111 HG1 LYS 111 -4.560 -3.795 6.813 12 HD3 LYS 111 HD1 LYS 111 -7.091 -2.226 7.274 13 HE3 LYS 111 HE1 LYS 111 -6.359 -3.245 9.381 No H/Q in entry = 13 In of MODEL 16 1 HA ASP 112 HA ASP 112 -6.773 -7.622 7.546 2 HB2 ASP 112 HB2 ASP 112 -9.169 -6.940 7.214 3 H ASP 112 HN ASP 112 -7.809 -6.248 5.285 4 HB3 ASP 112 HB1 ASP 112 -9.318 -8.243 6.039 No H/Q in entry = 4 In of MODEL 16 1 HA SER 113 HA SER 113 -6.614 -11.271 4.689 2 HB2 SER 113 HB2 SER 113 -7.024 -9.782 2.093 3 HG SER 113 HG SER 113 -8.877 -9.754 3.363 4 H SER 113 HN SER 113 -6.998 -8.430 4.172 5 HB3 SER 113 HB1 SER 113 -6.959 -11.535 2.263 No H/Q in entry = 5 In of MODEL 16 1 HA LEU 114 HA LEU 114 -2.740 -9.811 2.321 2 HB2 LEU 114 HB2 LEU 114 -3.358 -7.307 2.523 3 HG LEU 114 HG LEU 114 -0.518 -8.271 2.320 4 HD12 LEU 114 HD11 LEU 114 -0.806 -7.564 -0.021 5 HD11 LEU 114 HD12 LEU 114 -2.468 -7.102 0.338 6 HD13 LEU 114 HD13 LEU 114 -1.979 -8.793 0.457 7 HD21 LEU 114 HD21 LEU 114 -0.497 -6.013 3.306 8 HD23 LEU 114 HD22 LEU 114 -1.449 -5.434 1.940 9 HD22 LEU 114 HD23 LEU 114 0.180 -6.057 1.678 10 H LEU 114 HN LEU 114 -4.740 -8.522 3.889 11 HB3 LEU 114 HB1 LEU 114 -2.302 -7.311 3.924 No H/Q in entry = 11 In of MODEL 16 1 HA ASP 115 HA ASP 115 -0.502 -11.649 5.529 2 HB2 ASP 115 HB2 ASP 115 0.335 -12.666 3.338 3 H ASP 115 HN ASP 115 -0.734 -10.540 2.908 4 HB3 ASP 115 HB1 ASP 115 1.671 -11.523 3.434 No H/Q in entry = 4 In of MODEL 16 1 HA PRO 116 HA PRO 116 1.373 -8.171 7.522 2 HB2 PRO 116 HB2 PRO 116 2.493 -9.524 9.618 3 HG2 PRO 116 HG2 PRO 116 2.142 -11.683 8.813 4 HD2 PRO 116 HD2 PRO 116 0.535 -12.154 7.191 5 HB3 PRO 116 HB1 PRO 116 0.779 -9.107 9.520 6 HG3 PRO 116 HG1 PRO 116 0.654 -11.430 9.754 7 HD3 PRO 116 HD1 PRO 116 -0.612 -10.965 7.850 No H/Q in entry = 7 In of MODEL 16 1 HA SER 117 HA SER 117 5.763 -10.131 7.038 2 HB2 SER 117 HB2 SER 117 4.905 -11.507 4.483 3 HG SER 117 HG SER 117 4.148 -12.788 6.050 4 H SER 117 HN SER 117 3.160 -10.891 6.329 5 HB3 SER 117 HB1 SER 117 6.517 -11.533 5.199 No H/Q in entry = 5 In of MODEL 16 1 HA PHE 118 HA PHE 118 5.645 -7.196 3.484 2 HB2 PHE 118 HB2 PHE 118 2.663 -7.240 2.957 3 HD1 PHE 118 HD1 PHE 118 5.115 -7.582 0.349 4 HD2 PHE 118 HD2 PHE 118 2.615 -9.718 3.041 5 HE1 PHE 118 HE1 PHE 118 5.370 -9.601 -1.021 6 HE2 PHE 118 HE2 PHE 118 2.870 -11.744 1.684 7 HZ PHE 118 HZ PHE 118 4.251 -11.691 -0.360 8 H PHE 118 HN PHE 118 3.551 -8.792 4.768 9 HB3 PHE 118 HB1 PHE 118 3.883 -6.427 1.983 No H/Q in entry = 9 In of MODEL 16 1 HA THR 119 HA THR 119 4.464 -4.767 7.068 2 HB THR 119 HB THR 119 7.246 -3.894 6.290 3 HG1 THR 119 HG1 THR 119 6.246 -5.967 7.781 4 HG22 THR 119 HG21 THR 119 7.295 -2.786 8.488 5 HG21 THR 119 HG22 THR 119 5.598 -3.205 8.728 6 HG23 THR 119 HG23 THR 119 6.059 -2.097 7.437 7 H THR 119 HN THR 119 6.223 -5.949 5.260 No H/Q in entry = 7 In of MODEL 16 1 HA HIS 120 HA HIS 120 4.902 -0.756 4.735 2 HB2 HIS 120 HB2 HIS 120 6.288 -1.832 2.280 3 HD1 HIS 120 HD1 HIS 120 6.840 0.546 5.221 4 HD2 HIS 120 HD2 HIS 120 8.896 -2.145 2.811 5 HE1 HIS 120 HE1 HIS 120 9.181 0.468 6.138 6 HE2 HIS 120 HE2 HIS 120 10.334 -1.349 4.809 7 H HIS 120 HN HIS 120 6.053 -3.315 4.222 8 HB3 HIS 120 HB1 HIS 120 5.865 -0.144 2.544 No H/Q in entry = 8 In of MODEL 16 1 HA ALA 121 HA ALA 121 2.020 -2.219 1.144 2 HB2 ALA 121 HB1 ALA 121 3.093 -4.434 0.650 3 HB1 ALA 121 HB2 ALA 121 1.332 -4.421 0.567 4 HB3 ALA 121 HB3 ALA 121 2.145 -5.109 1.973 5 H ALA 121 HN ALA 121 4.151 -3.411 2.521 No H/Q in entry = 5 In of MODEL 16 1 HA MET 122 HA MET 122 -0.650 -3.754 4.737 2 HB2 MET 122 HB2 MET 122 1.787 -4.412 6.343 3 HG2 MET 122 HG2 MET 122 0.422 -6.036 4.833 4 HE2 MET 122 HE1 MET 122 -3.362 -5.402 5.672 5 HE1 MET 122 HE2 MET 122 -2.100 -5.300 4.447 6 HE3 MET 122 HE3 MET 122 -2.094 -4.187 5.816 7 H MET 122 HN MET 122 2.138 -3.912 4.192 8 HB3 MET 122 HB1 MET 122 0.244 -4.190 7.154 9 HG3 MET 122 HG1 MET 122 1.057 -6.554 6.393 No H/Q in entry = 9 In of MODEL 16 1 HA GLN 123 HA GLN 123 0.746 -0.034 7.287 2 HB2 GLN 123 HB2 GLN 123 3.057 0.016 7.618 3 HG2 GLN 123 HG2 GLN 123 2.579 2.326 5.766 4 HE21 GLN 123 HE21 GLN 123 4.150 3.919 7.632 5 HE22 GLN 123 HE22 GLN 123 5.809 3.593 7.262 6 H GLN 123 HN GLN 123 2.131 -1.769 5.529 7 HB3 GLN 123 HB1 GLN 123 3.403 -0.047 5.898 8 HG3 GLN 123 HG1 GLN 123 2.568 2.328 7.528 No H/Q in entry = 8 In of MODEL 16 1 HA LEU 124 HA LEU 124 0.446 2.794 3.614 2 HB2 LEU 124 HB2 LEU 124 0.789 0.666 1.490 3 HG LEU 124 HG LEU 124 2.890 1.547 2.629 4 HD12 LEU 124 HD11 LEU 124 4.076 1.852 0.490 5 HD11 LEU 124 HD12 LEU 124 2.522 1.976 -0.335 6 HD13 LEU 124 HD13 LEU 124 2.979 0.472 0.466 7 HD22 LEU 124 HD21 LEU 124 2.183 3.856 2.908 8 HD21 LEU 124 HD22 LEU 124 2.088 4.055 1.157 9 HD23 LEU 124 HD23 LEU 124 3.646 3.769 1.928 10 H LEU 124 HN LEU 124 1.500 0.213 3.829 11 HB3 LEU 124 HB1 LEU 124 0.391 2.339 1.142 No H/Q in entry = 11 In of MODEL 16 1 HA LEU 125 HA LEU 125 -3.592 0.451 2.416 2 HB2 LEU 125 HB2 LEU 125 -2.555 -1.935 3.918 3 HG LEU 125 HG LEU 125 -2.440 -1.919 1.400 4 HD13 LEU 125 HD11 LEU 125 -2.360 -3.956 2.734 5 HD12 LEU 125 HD12 LEU 125 -3.263 -4.222 1.244 6 HD11 LEU 125 HD13 LEU 125 -4.122 -4.017 2.769 7 HD21 LEU 125 HD21 LEU 125 -5.437 -2.142 1.709 8 HD23 LEU 125 HD22 LEU 125 -4.531 -2.384 0.212 9 HD22 LEU 125 HD23 LEU 125 -4.571 -0.792 0.971 10 H LEU 125 HN LEU 125 -1.034 -0.370 3.388 11 HB3 LEU 125 HB1 LEU 125 -4.280 -1.691 3.774 No H/Q in entry = 11 In of MODEL 16 1 HA THR 126 HA THR 126 -4.475 0.572 7.021 2 HB THR 126 HB THR 126 -1.587 0.942 7.841 3 HG1 THR 126 HG1 THR 126 -1.874 -1.184 7.549 4 HG21 THR 126 HG21 THR 126 -4.059 0.871 9.579 5 HG23 THR 126 HG22 THR 126 -3.011 2.266 9.309 6 HG22 THR 126 HG23 THR 126 -2.393 0.852 10.162 7 H THR 126 HN THR 126 -2.079 0.214 5.556 No H/Q in entry = 7 In of MODEL 16 1 HA ALA 127 HA ALA 127 -2.703 5.030 7.366 2 HB2 ALA 127 HB1 ALA 127 -1.191 6.220 5.894 3 HB3 ALA 127 HB2 ALA 127 -1.116 4.826 4.816 4 HB1 ALA 127 HB3 ALA 127 -0.466 4.714 6.453 5 H ALA 127 HN ALA 127 -1.843 2.730 6.044 No H/Q in entry = 5 In of MODEL 16 1 HA GLU 128 HA GLU 128 -4.772 6.134 3.176 2 HB2 GLU 128 HB2 GLU 128 -3.929 4.220 1.758 3 HG2 GLU 128 HG2 GLU 128 -5.844 4.202 0.181 4 H GLU 128 HN GLU 128 -3.338 3.904 4.046 5 HB3 GLU 128 HB1 GLU 128 -5.316 3.296 2.308 6 HG3 GLU 128 HG1 GLU 128 -6.787 5.069 1.387 No H/Q in entry = 6 In of MODEL 16 1 HA ILE 129 HA ILE 129 -8.574 3.761 4.827 2 HB ILE 129 HB ILE 129 -6.930 2.205 6.821 3 HD11 ILE 129 HD11 ILE 129 -6.778 -0.253 6.228 4 HD13 ILE 129 HD12 ILE 129 -7.718 -0.863 4.865 5 HD12 ILE 129 HD13 ILE 129 -8.535 -0.360 6.347 6 H ILE 129 HN ILE 129 -5.815 3.234 4.871 No H/Q in entry = 6 In of MODEL 16 1 HA GLU 130 HA GLU 130 -7.591 5.890 9.066 2 HB2 GLU 130 HB2 GLU 130 -4.826 6.649 8.107 3 HG2 GLU 130 HG2 GLU 130 -5.706 4.894 10.387 4 H GLU 130 HN GLU 130 -6.023 4.692 7.089 5 HB3 GLU 130 HB1 GLU 130 -5.567 7.232 9.590 6 HG3 GLU 130 HG1 GLU 130 -4.840 4.386 8.938 No H/Q in entry = 6 In of MODEL 16 1 HA LYS 131 HA LYS 131 -7.032 9.842 6.397 2 HB2 LYS 131 HB2 LYS 131 -5.412 9.008 4.701 3 HG2 LYS 131 HG2 LYS 131 -7.639 10.813 3.908 4 HD2 LYS 131 HD2 LYS 131 -6.325 11.304 1.822 5 HE2 LYS 131 HE2 LYS 131 -7.709 8.652 2.172 6 HZ3 LYS 131 HZ1 LYS 131 -8.021 8.790 -0.283 7 HZ2 LYS 131 HZ2 LYS 131 -6.447 8.390 0.219 8 HZ1 LYS 131 HZ3 LYS 131 -6.792 9.963 -0.320 9 H LYS 131 HN LYS 131 -6.335 7.133 6.020 10 HB3 LYS 131 HB1 LYS 131 -6.755 8.341 3.787 11 HG3 LYS 131 HG1 LYS 131 -5.929 11.171 4.159 12 HD3 LYS 131 HD1 LYS 131 -5.455 9.794 2.109 13 HE3 LYS 131 HE1 LYS 131 -8.396 10.161 1.575 No H/Q in entry = 13 In of MODEL 16 1 HA ILE 132 HA ILE 132 -10.956 8.756 3.963 2 HB ILE 132 HB ILE 132 -11.018 5.797 4.502 3 HD12 ILE 132 HD11 ILE 132 -11.369 5.358 1.365 4 HD11 ILE 132 HD12 ILE 132 -10.421 4.321 2.433 5 HD13 ILE 132 HD13 ILE 132 -9.650 5.106 1.054 6 H ILE 132 HN ILE 132 -8.742 7.171 4.752 No H/Q in entry = 6 In of MODEL 16 1 HA GLN 133 HA GLN 133 -12.896 6.877 7.918 2 HB2 GLN 133 HB2 GLN 133 -10.210 6.415 9.206 3 HG2 GLN 133 HG2 GLN 133 -10.971 4.663 7.630 4 HE21 GLN 133 HE21 GLN 133 -12.166 2.365 8.938 5 HE22 GLN 133 HE22 GLN 133 -13.879 2.563 8.781 6 H GLN 133 HN GLN 133 -10.323 6.731 6.784 7 HB3 GLN 133 HB1 GLN 133 -11.737 6.264 10.060 8 HG3 GLN 133 HG1 GLN 133 -10.795 4.112 9.292 No H/Q in entry = 8 In of MODEL 16 1 HA LYS 134 HA LYS 134 -11.255 10.551 10.356 2 HB2 LYS 134 HB2 LYS 134 -9.328 12.031 10.087 3 HG2 LYS 134 HG2 LYS 134 -8.481 10.266 7.804 4 HD2 LYS 134 HD2 LYS 134 -6.687 11.210 9.287 5 HE2 LYS 134 HE2 LYS 134 -7.834 13.355 9.769 6 HZ1 LYS 134 HZ1 LYS 134 -7.128 13.966 6.948 7 HZ3 LYS 134 HZ2 LYS 134 -7.617 15.116 8.090 8 HZ2 LYS 134 HZ3 LYS 134 -8.693 13.898 7.601 9 H LYS 134 HN LYS 134 -10.044 8.934 8.327 10 HB3 LYS 134 HB1 LYS 134 -8.814 10.354 10.191 11 HG3 LYS 134 HG1 LYS 134 -9.097 11.908 7.631 12 HD3 LYS 134 HD1 LYS 134 -6.600 11.679 7.588 13 HE3 LYS 134 HE1 LYS 134 -6.188 13.549 9.167 No H/Q in entry = 13 In of MODEL 16 1 HA3 GLY 135 HA2 GLY 135 -12.375 11.973 5.465 2 H GLY 135 HN GLY 135 -10.874 10.802 6.862 3 HA2 GLY 135 HA1 GLY 135 -12.878 12.936 6.849 No H/Q in entry = 3 In of MODEL 16 1 H1 GLY 95 HT2 GLY 95 10.929 9.727 16.034 2 H2 GLY 95 HT1 GLY 95 9.351 9.446 16.591 3 H3 GLY 95 HT3 GLY 95 10.641 8.521 17.190 4 HA2 GLY 95 HA2 GLY 95 9.603 8.501 14.412 5 HA3 GLY 95 HA1 GLY 95 9.382 7.233 15.612 No H/Q in entry = 5 In of MODEL 16 1 HA ALA 96 HA ALA 96 13.241 5.752 14.266 2 HB1 ALA 96 HB1 ALA 96 11.893 3.713 14.342 3 HB2 ALA 96 HB2 ALA 96 13.083 3.642 13.042 4 HB3 ALA 96 HB3 ALA 96 11.392 3.979 12.673 5 H ALA 96 HN ALA 96 10.369 5.940 13.825 No H/Q in entry = 5 In of MODEL 16 1 HA MET 97 HA MET 97 11.104 7.370 9.710 2 HB2 MET 97 HB2 MET 97 12.598 9.322 9.344 3 HG2 MET 97 HG2 MET 97 13.357 8.925 12.229 4 HE2 MET 97 HE1 MET 97 16.090 10.543 12.034 5 HE1 MET 97 HE2 MET 97 14.967 10.669 13.388 6 HE3 MET 97 HE3 MET 97 15.567 12.129 12.601 7 H MET 97 HN MET 97 10.980 6.823 11.920 8 HB3 MET 97 HB1 MET 97 11.512 9.442 10.711 9 HG3 MET 97 HG1 MET 97 14.447 8.791 10.849 No H/Q in entry = 9 In of MODEL 16 1 HA GLU 98 HA GLU 98 14.333 4.661 8.330 2 HB2 GLU 98 HB2 GLU 98 11.768 3.866 6.936 3 HG2 GLU 98 HG2 GLU 98 13.319 2.478 9.110 4 H GLU 98 HN GLU 98 11.644 5.516 8.747 5 HB3 GLU 98 HB1 GLU 98 13.315 3.054 6.725 6 HG3 GLU 98 HG1 GLU 98 11.747 3.255 9.287 No H/Q in entry = 6 In of MODEL 16 1 HA PRO 99 HA PRO 99 15.366 7.420 5.026 2 HB2 PRO 99 HB2 PRO 99 17.406 5.939 3.952 3 HG2 PRO 99 HG2 PRO 99 17.160 3.994 5.182 4 HD2 PRO 99 HD2 PRO 99 15.823 3.907 7.053 5 HB3 PRO 99 HB1 PRO 99 17.578 6.946 5.393 6 HG3 PRO 99 HG1 PRO 99 18.209 4.905 6.285 7 HD3 PRO 99 HD1 PRO 99 16.472 5.420 7.713 No H/Q in entry = 7 In of MODEL 16 1 HA GLU 100 HA GLU 100 12.910 5.549 1.993 2 HB2 GLU 100 HB2 GLU 100 13.576 8.249 0.846 3 HG2 GLU 100 HG2 GLU 100 11.290 7.214 2.486 4 H GLU 100 HN GLU 100 14.363 7.641 3.153 5 HB3 GLU 100 HB1 GLU 100 12.386 7.136 0.179 6 HG3 GLU 100 HG1 GLU 100 12.303 8.627 2.777 No H/Q in entry = 6 In of MODEL 16 1 HA ASN 101 HA ASN 101 16.760 5.520 -0.938 2 HB2 ASN 101 HB2 ASN 101 18.328 6.810 0.491 3 HD21 ASN 101 HD21 ASN 101 18.274 5.398 -1.970 4 HD22 ASN 101 HD22 ASN 101 19.855 4.740 -2.231 5 H ASN 101 HN ASN 101 16.128 6.619 1.514 6 HB3 ASN 101 HB1 ASN 101 18.477 5.412 1.551 No H/Q in entry = 6 In of MODEL 16 1 HA LYS 102 HA LYS 102 16.878 1.317 0.852 2 HB2 LYS 102 HB2 LYS 102 16.840 2.165 3.740 3 HG2 LYS 102 HG2 LYS 102 19.020 1.000 2.019 4 HD2 LYS 102 HD2 LYS 102 19.100 1.981 4.871 5 HE2 LYS 102 HE2 LYS 102 21.205 0.773 3.087 6 HZ2 LYS 102 HZ1 LYS 102 22.682 1.020 4.949 7 HZ1 LYS 102 HZ2 LYS 102 21.387 0.020 5.397 8 HZ3 LYS 102 HZ3 LYS 102 21.433 1.631 5.921 9 H LYS 102 HN LYS 102 16.374 3.878 2.175 10 HB3 LYS 102 HB1 LYS 102 16.962 0.479 3.241 11 HG3 LYS 102 HG1 LYS 102 18.897 2.679 2.548 12 HD3 LYS 102 HD1 LYS 102 19.158 0.289 4.371 13 HE3 LYS 102 HE1 LYS 102 21.161 2.432 3.678 No H/Q in entry = 13 In of MODEL 16 1 HA TYR 103 HA TYR 103 12.418 1.260 2.705 2 HB2 TYR 103 HB2 TYR 103 12.222 3.529 3.512 3 HD1 TYR 103 HD1 TYR 103 10.130 1.859 3.882 4 HD2 TYR 103 HD2 TYR 103 10.423 4.898 0.932 5 HE1 TYR 103 HE1 TYR 103 7.674 1.990 3.777 6 HE2 TYR 103 HE2 TYR 103 7.981 5.040 0.792 7 HH TYR 103 HH TYR 103 6.014 3.804 1.340 8 H TYR 103 HN TYR 103 14.392 3.205 2.262 9 HB3 TYR 103 HB1 TYR 103 12.311 4.145 1.878 No H/Q in entry = 9 In of MODEL 16 1 HA LEU 104 HA LEU 104 11.505 2.232 -1.938 2 HB2 LEU 104 HB2 LEU 104 13.239 3.804 -2.502 3 HG LEU 104 HG LEU 104 13.367 1.491 -4.441 4 HD12 LEU 104 HD11 LEU 104 11.674 3.979 -4.442 5 HD11 LEU 104 HD12 LEU 104 11.107 2.352 -4.074 6 HD13 LEU 104 HD13 LEU 104 11.699 2.738 -5.692 7 HD21 LEU 104 HD21 LEU 104 15.254 3.018 -4.712 8 HD23 LEU 104 HD22 LEU 104 14.140 4.384 -4.795 9 HD22 LEU 104 HD23 LEU 104 14.121 3.153 -6.059 10 H LEU 104 HN LEU 104 13.670 2.710 -0.215 11 HB3 LEU 104 HB1 LEU 104 14.452 2.541 -2.473 No H/Q in entry = 11 In of MODEL 16 1 HA PRO 105 HA PRO 105 13.772 -1.830 -3.306 2 HB2 PRO 105 HB2 PRO 105 15.502 -2.918 -1.468 3 HG2 PRO 105 HG2 PRO 105 15.473 -1.139 0.042 4 HD2 PRO 105 HD2 PRO 105 14.848 1.014 -0.589 5 HB3 PRO 105 HB1 PRO 105 16.020 -1.892 -2.811 6 HG3 PRO 105 HG1 PRO 105 16.851 -0.685 -0.983 7 HD3 PRO 105 HD1 PRO 105 15.600 0.861 -2.192 No H/Q in entry = 7 In of MODEL 16 1 HA GLU 106 HA GLU 106 12.014 -3.709 0.796 2 HB2 GLU 106 HB2 GLU 106 11.322 -0.904 1.670 3 HG2 GLU 106 HG2 GLU 106 13.556 -2.364 2.274 4 H GLU 106 HN GLU 106 13.107 -1.228 0.106 5 HB3 GLU 106 HB1 GLU 106 10.644 -2.343 2.414 6 HG3 GLU 106 HG1 GLU 106 12.894 -1.035 3.227 No H/Q in entry = 6 In of MODEL 16 1 HA LEU 107 HA LEU 107 7.901 -1.765 -0.761 2 HB2 LEU 107 HB2 LEU 107 9.319 0.288 -2.457 3 HG LEU 107 HG LEU 107 9.121 0.881 -0.026 4 HD12 LEU 107 HD11 LEU 107 8.172 3.096 -0.489 5 HD11 LEU 107 HD12 LEU 107 7.524 2.491 -2.014 6 HD13 LEU 107 HD13 LEU 107 9.269 2.572 -1.768 7 HD21 LEU 107 HD21 LEU 107 6.174 0.817 -0.676 8 HD23 LEU 107 HD22 LEU 107 6.892 1.448 0.808 9 HD22 LEU 107 HD23 LEU 107 7.013 -0.271 0.430 10 H LEU 107 HN LEU 107 10.566 -0.822 -0.657 11 HB3 LEU 107 HB1 LEU 107 7.590 0.002 -2.469 No H/Q in entry = 11 In of MODEL 16 1 HA MET 108 HA MET 108 9.008 -2.881 -5.270 2 HB2 MET 108 HB2 MET 108 11.057 -3.247 -6.412 3 HG2 MET 108 HG2 MET 108 12.494 -2.711 -3.831 4 HE2 MET 108 HE1 MET 108 14.400 -0.432 -6.433 5 HE1 MET 108 HE2 MET 108 13.581 -0.473 -4.872 6 HE3 MET 108 HE3 MET 108 12.656 -0.688 -6.360 7 H MET 108 HN MET 108 10.530 -1.760 -3.154 8 HB3 MET 108 HB1 MET 108 11.133 -1.693 -5.602 9 HG3 MET 108 HG1 MET 108 12.447 -4.243 -4.703 No H/Q in entry = 9 In of MODEL 16 1 HA ALA 109 HA ALA 109 10.716 -6.989 -3.734 2 HB3 ALA 109 HB1 ALA 109 11.205 -6.062 -0.895 3 HB1 ALA 109 HB2 ALA 109 12.429 -6.454 -2.104 4 HB2 ALA 109 HB3 ALA 109 11.393 -7.726 -1.458 5 H ALA 109 HN ALA 109 10.878 -4.365 -2.658 No H/Q in entry = 5 In of MODEL 16 1 HA GLU 110 HA GLU 110 6.977 -7.416 -0.837 2 HB2 GLU 110 HB2 GLU 110 6.650 -4.433 -0.459 3 HG2 GLU 110 HG2 GLU 110 7.182 -6.619 1.541 4 H GLU 110 HN GLU 110 8.794 -5.265 -1.296 5 HB3 GLU 110 HB1 GLU 110 5.475 -5.623 0.073 6 HG3 GLU 110 HG1 GLU 110 8.315 -5.366 1.041 No H/Q in entry = 6 In of MODEL 16 1 HA LYS 111 HA LYS 111 4.529 -5.002 -4.162 2 HB2 LYS 111 HB2 LYS 111 5.588 -2.978 -4.658 3 HG2 LYS 111 HG2 LYS 111 5.979 -4.583 -7.171 4 HD2 LYS 111 HD2 LYS 111 5.403 -1.647 -6.847 5 HE2 LYS 111 HE2 LYS 111 6.104 -1.539 -9.197 6 HZ3 LYS 111 HZ1 LYS 111 3.938 -3.540 -8.835 7 HZ2 LYS 111 HZ2 LYS 111 4.165 -2.512 -10.163 8 HZ1 LYS 111 HZ3 LYS 111 3.736 -1.865 -8.657 9 H LYS 111 HN LYS 111 7.071 -4.675 -3.025 10 HB3 LYS 111 HB1 LYS 111 7.074 -3.764 -5.161 11 HG3 LYS 111 HG1 LYS 111 4.465 -3.834 -6.664 12 HD3 LYS 111 HD1 LYS 111 7.021 -2.304 -7.093 13 HE3 LYS 111 HE1 LYS 111 6.282 -3.291 -9.218 No H/Q in entry = 13 In of MODEL 16 1 HA ASP 112 HA ASP 112 6.620 -7.700 -7.434 2 HB2 ASP 112 HB2 ASP 112 9.019 -7.057 -7.085 3 H ASP 112 HN ASP 112 7.663 -6.355 -5.160 4 HB3 ASP 112 HB1 ASP 112 9.143 -8.358 -5.907 No H/Q in entry = 4 In of MODEL 16 1 HA SER 113 HA SER 113 6.368 -11.361 -4.606 2 HB2 SER 113 HB2 SER 113 6.807 -9.906 -1.998 3 HG SER 113 HG SER 113 8.673 -9.909 -3.246 4 H SER 113 HN SER 113 6.811 -8.530 -4.068 5 HB3 SER 113 HB1 SER 113 6.699 -11.653 -2.184 No H/Q in entry = 5 In of MODEL 16 1 HA LEU 114 HA LEU 114 2.523 -9.858 -2.242 2 HB2 LEU 114 HB2 LEU 114 3.180 -7.363 -2.421 3 HG LEU 114 HG LEU 114 0.322 -8.276 -2.231 4 HD12 LEU 114 HD11 LEU 114 0.614 -7.595 0.116 5 HD11 LEU 114 HD12 LEU 114 2.287 -7.163 -0.233 6 HD13 LEU 114 HD13 LEU 114 1.766 -8.843 -0.369 7 HD21 LEU 114 HD21 LEU 114 0.352 -6.009 -3.197 8 HD23 LEU 114 HD22 LEU 114 1.315 -5.465 -1.823 9 HD22 LEU 114 HD23 LEU 114 -0.329 -6.054 -1.573 10 H LEU 114 HN LEU 114 4.543 -8.584 -3.799 11 HB3 LEU 114 HB1 LEU 114 2.128 -7.339 -3.822 No H/Q in entry = 11 In of MODEL 16 1 HA ASP 115 HA ASP 115 0.259 -11.631 -5.478 2 HB2 ASP 115 HB2 ASP 115 -0.608 -12.664 -3.310 3 H ASP 115 HN ASP 115 0.504 -10.561 -2.838 4 HB3 ASP 115 HB1 ASP 115 -1.913 -11.487 -3.384 No H/Q in entry = 4 In of MODEL 16 1 HA PRO 116 HA PRO 116 -1.537 -8.091 -7.438 2 HB2 PRO 116 HB2 PRO 116 -2.681 -9.403 -9.551 3 HG2 PRO 116 HG2 PRO 116 -2.361 -11.573 -8.778 4 HD2 PRO 116 HD2 PRO 116 -0.769 -12.090 -7.154 5 HB3 PRO 116 HB1 PRO 116 -0.961 -9.011 -9.449 6 HG3 PRO 116 HG1 PRO 116 -0.867 -11.328 -9.707 7 HD3 PRO 116 HD1 PRO 116 0.397 -10.907 -7.787 No H/Q in entry = 7 In of MODEL 16 1 HA SER 117 HA SER 117 -5.974 -9.964 -6.999 2 HB2 SER 117 HB2 SER 117 -5.150 -11.406 -4.466 3 HG SER 117 HG SER 117 -4.414 -12.683 -6.052 4 H SER 117 HN SER 117 -3.383 -10.785 -6.287 5 HB3 SER 117 HB1 SER 117 -6.760 -11.389 -5.189 No H/Q in entry = 5 In of MODEL 16 1 HA PHE 118 HA PHE 118 -5.811 -7.077 -3.417 2 HB2 PHE 118 HB2 PHE 118 -2.834 -7.172 -2.869 3 HD1 PHE 118 HD1 PHE 118 -5.303 -7.497 -0.276 4 HD2 PHE 118 HD2 PHE 118 -2.832 -9.654 -2.980 5 HE1 PHE 118 HE1 PHE 118 -5.602 -9.524 1.072 6 HE2 PHE 118 HE2 PHE 118 -3.132 -11.690 -1.647 7 HZ PHE 118 HZ PHE 118 -4.520 -11.632 0.390 8 H PHE 118 HN PHE 118 -3.741 -8.696 -4.707 9 HB3 PHE 118 HB1 PHE 118 -4.048 -6.349 -1.899 No H/Q in entry = 9 In of MODEL 16 1 HA THR 119 HA THR 119 -4.572 -4.631 -6.967 2 HB THR 119 HB THR 119 -7.348 -3.730 -6.198 3 HG1 THR 119 HG1 THR 119 -6.366 -5.801 -7.691 4 HG22 THR 119 HG21 THR 119 -7.366 -2.587 -8.377 5 HG21 THR 119 HG22 THR 119 -5.676 -3.029 -8.617 6 HG23 THR 119 HG23 THR 119 -6.122 -1.932 -7.310 7 H THR 119 HN THR 119 -6.362 -5.805 -5.187 No H/Q in entry = 7 In of MODEL 16 1 HA HIS 120 HA HIS 120 -4.949 -0.640 -4.591 2 HB2 HIS 120 HB2 HIS 120 -6.362 -1.710 -2.155 3 HD1 HIS 120 HD1 HIS 120 -6.864 0.713 -5.071 4 HD2 HIS 120 HD2 HIS 120 -8.969 -1.977 -2.701 5 HE1 HIS 120 HE1 HIS 120 -9.206 0.683 -5.994 6 HE2 HIS 120 HE2 HIS 120 -10.388 -1.129 -4.688 7 H HIS 120 HN HIS 120 -6.152 -3.184 -4.107 8 HB3 HIS 120 HB1 HIS 120 -5.905 -0.029 -2.404 No H/Q in entry = 8 In of MODEL 16 1 HA ALA 121 HA ALA 121 -2.113 -2.184 -1.007 2 HB1 ALA 121 HB1 ALA 121 -3.221 -4.380 -0.527 3 HB3 ALA 121 HB2 ALA 121 -1.460 -4.400 -0.445 4 HB2 ALA 121 HB3 ALA 121 -2.285 -5.064 -1.856 5 H ALA 121 HN ALA 121 -4.259 -3.327 -2.398 No H/Q in entry = 5 In of MODEL 16 1 HA MET 122 HA MET 122 0.549 -3.740 -4.608 2 HB2 MET 122 HB2 MET 122 -1.897 -4.334 -6.226 3 HG2 MET 122 HG2 MET 122 -0.571 -5.999 -4.725 4 HE2 MET 122 HE1 MET 122 3.234 -5.429 -5.548 5 HE1 MET 122 HE2 MET 122 1.972 -5.312 -4.322 6 HE3 MET 122 HE3 MET 122 1.990 -4.188 -5.681 7 H MET 122 HN MET 122 -2.245 -3.849 -4.071 8 HB3 MET 122 HB1 MET 122 -0.347 -4.138 -7.031 9 HG3 MET 122 HG1 MET 122 -1.206 -6.489 -6.293 No H/Q in entry = 9 In of MODEL 16 1 HA GLN 123 HA GLN 123 -0.774 0.033 -7.121 2 HB2 GLN 123 HB2 GLN 123 -3.081 0.127 -7.456 3 HG2 GLN 123 HG2 GLN 123 -2.560 2.413 -5.583 4 HE21 GLN 123 HE21 GLN 123 -4.118 4.046 -7.444 5 HE22 GLN 123 HE22 GLN 123 -5.778 3.737 -7.083 6 H GLN 123 HN GLN 123 -2.188 -1.697 -5.385 7 HB3 GLN 123 HB1 GLN 123 -3.431 0.054 -5.738 8 HG3 GLN 123 HG1 GLN 123 -2.549 2.433 -7.345 No H/Q in entry = 8 In of MODEL 16 1 HA LEU 124 HA LEU 124 -0.427 2.815 -3.419 2 HB2 LEU 124 HB2 LEU 124 -0.820 0.676 -1.317 3 HG LEU 124 HG LEU 124 -2.901 1.604 -2.455 4 HD12 LEU 124 HD11 LEU 124 -4.093 1.909 -0.318 5 HD11 LEU 124 HD12 LEU 124 -2.540 1.998 0.514 6 HD13 LEU 124 HD13 LEU 124 -3.023 0.509 -0.301 7 HD22 LEU 124 HD21 LEU 124 -2.153 3.904 -2.706 8 HD21 LEU 124 HD22 LEU 124 -2.060 4.081 -0.954 9 HD23 LEU 124 HD23 LEU 124 -3.623 3.831 -1.732 10 H LEU 124 HN LEU 124 -1.529 0.257 -3.660 11 HB3 LEU 124 HB1 LEU 124 -0.396 2.338 -0.953 No H/Q in entry = 11 In of MODEL 16 1 HA LEU 125 HA LEU 125 3.562 0.386 -2.229 2 HB2 LEU 125 HB2 LEU 125 2.483 -1.960 -3.763 3 HG LEU 125 HG LEU 125 2.362 -1.974 -1.247 4 HD13 LEU 125 HD11 LEU 125 2.249 -3.998 -2.600 5 HD12 LEU 125 HD12 LEU 125 3.144 -4.294 -1.112 6 HD11 LEU 125 HD13 LEU 125 4.009 -4.087 -2.631 7 HD21 LEU 125 HD21 LEU 125 5.356 -2.239 -1.549 8 HD23 LEU 125 HD22 LEU 125 4.444 -2.481 -0.056 9 HD22 LEU 125 HD23 LEU 125 4.506 -0.885 -0.802 10 H LEU 125 HN LEU 125 0.993 -0.378 -3.216 11 HB3 LEU 125 HB1 LEU 125 4.212 -1.753 -3.614 No H/Q in entry = 11 In of MODEL 16 1 HA THR 126 HA THR 126 4.462 0.537 -6.827 2 HB THR 126 HB THR 126 1.585 0.969 -7.654 3 HG1 THR 126 HG1 THR 126 1.837 -1.168 -7.380 4 HG21 THR 126 HG21 THR 126 4.062 0.870 -9.383 5 HG23 THR 126 HG22 THR 126 3.041 2.282 -9.100 6 HG22 THR 126 HG23 THR 126 2.398 0.889 -9.972 7 H THR 126 HN THR 126 2.057 0.205 -5.376 No H/Q in entry = 7 In of MODEL 16 1 HA ALA 127 HA ALA 127 2.773 5.033 -7.133 2 HB2 ALA 127 HB1 ALA 127 1.275 6.231 -5.649 3 HB3 ALA 127 HB2 ALA 127 1.178 4.826 -4.588 4 HB1 ALA 127 HB3 ALA 127 0.528 4.742 -6.226 5 H ALA 127 HN ALA 127 1.868 2.732 -5.838 No H/Q in entry = 5 In of MODEL 16 1 HA GLU 128 HA GLU 128 4.851 6.059 -2.928 2 HB2 GLU 128 HB2 GLU 128 3.963 4.152 -1.532 3 HG2 GLU 128 HG2 GLU 128 5.873 4.076 0.054 4 H GLU 128 HN GLU 128 3.372 3.869 -3.820 5 HB3 GLU 128 HB1 GLU 128 5.333 3.202 -2.083 6 HG3 GLU 128 HG1 GLU 128 6.834 4.943 -1.138 No H/Q in entry = 6 In of MODEL 16 1 HA ILE 129 HA ILE 129 8.610 3.630 -4.584 2 HB ILE 129 HB ILE 129 6.942 2.127 -6.601 3 HD11 ILE 129 HD11 ILE 129 6.750 -0.335 -6.036 4 HD13 ILE 129 HD12 ILE 129 7.672 -0.981 -4.677 5 HD12 ILE 129 HD13 ILE 129 8.504 -0.473 -6.148 6 H ILE 129 HN ILE 129 5.843 3.157 -4.648 No H/Q in entry = 6 In of MODEL 16 1 HA GLU 130 HA GLU 130 7.689 5.826 -8.810 2 HB2 GLU 130 HB2 GLU 130 4.936 6.622 -7.847 3 HG2 GLU 130 HG2 GLU 130 5.784 4.870 -10.141 4 H GLU 130 HN GLU 130 6.092 4.627 -6.853 5 HB3 GLU 130 HB1 GLU 130 5.687 7.203 -9.323 6 HG3 GLU 130 HG1 GLU 130 4.910 4.366 -8.697 No H/Q in entry = 6 In of MODEL 16 1 HA LYS 131 HA LYS 131 7.190 9.753 -6.104 2 HB2 LYS 131 HB2 LYS 131 5.545 8.934 -4.425 3 HG2 LYS 131 HG2 LYS 131 7.800 10.694 -3.597 4 HD2 LYS 131 HD2 LYS 131 6.489 11.180 -1.508 5 HE2 LYS 131 HE2 LYS 131 7.830 8.515 -1.888 6 HZ3 LYS 131 HZ1 LYS 131 8.134 8.607 0.569 7 HZ2 LYS 131 HZ2 LYS 131 6.551 8.246 0.053 8 HZ1 LYS 131 HZ3 LYS 131 6.927 9.800 0.618 9 H LYS 131 HN LYS 131 6.444 7.052 -5.747 10 HB3 LYS 131 HB1 LYS 131 6.873 8.232 -3.509 11 HG3 LYS 131 HG1 LYS 131 6.096 11.082 -3.849 12 HD3 LYS 131 HD1 LYS 131 5.592 9.689 -1.813 13 HE3 LYS 131 HE1 LYS 131 8.536 10.006 -1.266 No H/Q in entry = 13 In of MODEL 16 1 HA ILE 132 HA ILE 132 11.081 8.568 -3.667 2 HB ILE 132 HB ILE 132 11.089 5.611 -4.230 3 HD12 ILE 132 HD11 ILE 132 11.422 5.134 -1.099 4 HD11 ILE 132 HD12 ILE 132 10.457 4.129 -2.182 5 HD13 ILE 132 HD13 ILE 132 9.699 4.912 -0.795 6 H ILE 132 HN ILE 132 8.838 7.039 -4.474 No H/Q in entry = 6 In of MODEL 16 1 HA GLN 133 HA GLN 133 12.997 6.703 -7.629 2 HB2 GLN 133 HB2 GLN 133 10.312 6.294 -8.945 3 HG2 GLN 133 HG2 GLN 133 11.029 4.515 -7.377 4 HE21 GLN 133 HE21 GLN 133 12.203 2.222 -8.712 5 HE22 GLN 133 HE22 GLN 133 13.916 2.376 -8.501 6 H GLN 133 HN GLN 133 10.411 6.593 -6.515 7 HB3 GLN 133 HB1 GLN 133 11.846 6.124 -9.784 8 HG3 GLN 133 HG1 GLN 133 10.865 3.984 -9.047 No H/Q in entry = 8 In of MODEL 16 1 HA LYS 134 HA LYS 134 11.434 10.429 -10.042 2 HB2 LYS 134 HB2 LYS 134 9.533 11.945 -9.756 3 HG2 LYS 134 HG2 LYS 134 8.649 10.169 -7.494 4 HD2 LYS 134 HD2 LYS 134 6.878 11.162 -8.980 5 HE2 LYS 134 HE2 LYS 134 8.069 13.291 -9.414 6 HZ1 LYS 134 HZ1 LYS 134 7.375 13.853 -6.581 7 HZ3 LYS 134 HZ2 LYS 134 7.861 15.030 -7.696 8 HZ2 LYS 134 HZ3 LYS 134 8.934 13.793 -7.246 9 H LYS 134 HN LYS 134 10.185 8.814 -8.034 10 HB3 LYS 134 HB1 LYS 134 8.988 10.280 -9.884 11 HG3 LYS 134 HG1 LYS 134 9.296 11.799 -7.305 12 HD3 LYS 134 HD1 LYS 134 6.786 11.604 -7.275 13 HE3 LYS 134 HE1 LYS 134 6.422 13.512 -8.822 No H/Q in entry = 13 In of MODEL 16 1 HA3 GLY 135 HA2 GLY 135 12.552 11.779 -5.121 2 H GLY 135 HN GLY 135 11.040 10.651 -6.549 3 HA2 GLY 135 HA1 GLY 135 13.082 12.748 -6.492 No H/Q in entry = 3 In of MODEL 17 1 H1 GLY 95 HT3 GLY 95 -5.764 6.279 -5.332 2 H2 GLY 95 HT2 GLY 95 -7.407 6.530 -4.981 3 H3 GLY 95 HT1 GLY 95 -6.610 5.166 -4.372 4 HA3 GLY 95 HA1 GLY 95 -6.339 4.266 -6.570 5 HA2 GLY 95 HA2 GLY 95 -8.035 4.609 -6.259 No H/Q in entry = 5 In of MODEL 17 1 HA ALA 96 HA ALA 96 -6.269 6.949 -9.899 2 HB2 ALA 96 HB1 ALA 96 -5.328 4.915 -10.867 3 HB3 ALA 96 HB2 ALA 96 -6.242 5.829 -12.067 4 HB1 ALA 96 HB3 ALA 96 -6.944 4.385 -11.338 5 H ALA 96 HN ALA 96 -6.873 4.365 -8.837 No H/Q in entry = 5 In of MODEL 17 1 HA MET 97 HA MET 97 -10.748 7.155 -10.742 2 HB2 MET 97 HB2 MET 97 -10.294 5.674 -12.718 3 HG2 MET 97 HG2 MET 97 -13.150 5.738 -11.786 4 HE3 MET 97 HE1 MET 97 -15.127 5.593 -13.567 5 HE2 MET 97 HE2 MET 97 -14.873 5.257 -15.279 6 HE1 MET 97 HE3 MET 97 -14.298 6.772 -14.583 7 H MET 97 HN MET 97 -9.104 4.830 -9.989 8 HB3 MET 97 HB1 MET 97 -11.083 4.360 -11.860 9 HG3 MET 97 HG1 MET 97 -12.336 6.925 -12.807 No H/Q in entry = 9 In of MODEL 17 1 HA GLU 98 HA GLU 98 -12.530 3.788 -7.934 2 HB2 GLU 98 HB2 GLU 98 -10.101 3.942 -6.142 3 HG2 GLU 98 HG2 GLU 98 -10.580 1.932 -8.334 4 H GLU 98 HN GLU 98 -10.036 5.120 -8.455 5 HB3 GLU 98 HB1 GLU 98 -11.330 2.681 -6.190 6 HG3 GLU 98 HG1 GLU 98 -9.482 3.298 -8.484 No H/Q in entry = 6 In of MODEL 17 1 HA PRO 99 HA PRO 99 -14.113 7.188 -5.512 2 HB2 PRO 99 HB2 PRO 99 -16.470 6.079 -4.867 3 HG2 PRO 99 HG2 PRO 99 -16.022 3.862 -5.382 4 HD2 PRO 99 HD2 PRO 99 -14.229 3.271 -6.697 5 HB3 PRO 99 HB1 PRO 99 -16.126 6.631 -6.510 6 HG3 PRO 99 HG1 PRO 99 -16.697 4.413 -6.927 7 HD3 PRO 99 HD1 PRO 99 -14.635 4.461 -7.947 No H/Q in entry = 7 In of MODEL 17 1 HA GLU 100 HA GLU 100 -12.494 6.067 -1.744 2 HB2 GLU 100 HB2 GLU 100 -12.524 7.787 -0.162 3 HG2 GLU 100 HG2 GLU 100 -14.943 8.182 -0.126 4 H GLU 100 HN GLU 100 -13.941 7.715 -3.446 5 HB3 GLU 100 HB1 GLU 100 -12.461 8.537 -1.749 6 HG3 GLU 100 HG1 GLU 100 -13.957 9.632 -0.159 No H/Q in entry = 6 In of MODEL 17 1 HA ASN 101 HA ASN 101 -16.610 5.722 0.673 2 HB2 ASN 101 HB2 ASN 101 -18.155 6.995 -0.742 3 HD21 ASN 101 HD21 ASN 101 -18.125 5.384 1.631 4 HD22 ASN 101 HD22 ASN 101 -19.705 4.712 1.828 5 H ASN 101 HN ASN 101 -15.914 6.825 -1.741 6 HB3 ASN 101 HB1 ASN 101 -18.243 5.640 -1.865 No H/Q in entry = 6 In of MODEL 17 1 HA LYS 102 HA LYS 102 -16.828 1.493 -1.151 2 HB2 LYS 102 HB2 LYS 102 -16.311 2.357 -3.991 3 HG2 LYS 102 HG2 LYS 102 -18.532 1.341 -4.412 4 HD2 LYS 102 HD2 LYS 102 -18.563 3.513 -2.321 5 HE2 LYS 102 HE2 LYS 102 -20.519 2.889 -4.529 6 HZ3 LYS 102 HZ1 LYS 102 -20.797 4.826 -2.302 7 HZ2 LYS 102 HZ2 LYS 102 -21.833 4.615 -3.627 8 HZ1 LYS 102 HZ3 LYS 102 -20.284 5.266 -3.856 9 H LYS 102 HN LYS 102 -16.198 4.043 -2.409 10 HB3 LYS 102 HB1 LYS 102 -16.421 0.660 -3.547 11 HG3 LYS 102 HG1 LYS 102 -18.712 1.110 -2.674 12 HD3 LYS 102 HD1 LYS 102 -18.312 3.768 -4.047 13 HE3 LYS 102 HE1 LYS 102 -20.772 2.527 -2.823 No H/Q in entry = 13 In of MODEL 17 1 HA TYR 103 HA TYR 103 -12.182 1.464 -2.580 2 HB2 TYR 103 HB2 TYR 103 -12.071 3.730 -3.427 3 HD1 TYR 103 HD1 TYR 103 -10.266 5.212 -0.917 4 HD2 TYR 103 HD2 TYR 103 -9.958 2.077 -3.767 5 HE1 TYR 103 HE1 TYR 103 -7.826 5.424 -0.843 6 HE2 TYR 103 HE2 TYR 103 -7.506 2.272 -3.718 7 HH TYR 103 HH TYR 103 -5.848 4.367 -1.449 8 H TYR 103 HN TYR 103 -14.201 3.373 -2.255 9 HB3 TYR 103 HB1 TYR 103 -12.167 4.378 -1.804 No H/Q in entry = 9 In of MODEL 17 1 HA LEU 104 HA LEU 104 -11.317 2.603 2.018 2 HB2 LEU 104 HB2 LEU 104 -12.985 4.254 2.507 3 HG LEU 104 HG LEU 104 -13.318 2.048 4.542 4 HD12 LEU 104 HD11 LEU 104 -11.583 3.302 5.781 5 HD11 LEU 104 HD12 LEU 104 -11.355 4.325 4.360 6 HD13 LEU 104 HD13 LEU 104 -10.996 2.599 4.273 7 HD21 LEU 104 HD21 LEU 104 -15.057 3.786 4.660 8 HD23 LEU 104 HD22 LEU 104 -13.797 5.018 4.779 9 HD22 LEU 104 HD23 LEU 104 -13.981 3.819 6.059 10 H LEU 104 HN LEU 104 -13.482 3.038 0.288 11 HB3 LEU 104 HB1 LEU 104 -14.256 3.049 2.502 No H/Q in entry = 11 In of MODEL 17 1 HA PRO 105 HA PRO 105 -13.693 -1.322 3.619 2 HB2 PRO 105 HB2 PRO 105 -15.490 -2.428 1.854 3 HG2 PRO 105 HG2 PRO 105 -15.434 -0.713 0.272 4 HD2 PRO 105 HD2 PRO 105 -14.718 1.434 0.795 5 HB3 PRO 105 HB1 PRO 105 -15.951 -1.331 3.162 6 HG3 PRO 105 HG1 PRO 105 -16.772 -0.165 1.304 7 HD3 PRO 105 HD1 PRO 105 -15.434 1.383 2.419 No H/Q in entry = 7 In of MODEL 17 1 HA GLU 106 HA GLU 106 -12.178 -3.498 -0.419 2 HB2 GLU 106 HB2 GLU 106 -11.485 -0.819 -1.603 3 HG2 GLU 106 HG2 GLU 106 -13.818 -1.489 -1.925 4 H GLU 106 HN GLU 106 -13.091 -0.906 0.171 5 HB3 GLU 106 HB1 GLU 106 -10.955 -2.353 -2.276 6 HG3 GLU 106 HG1 GLU 106 -12.910 -1.437 -3.433 No H/Q in entry = 6 In of MODEL 17 1 HA LEU 107 HA LEU 107 -7.882 -1.601 0.728 2 HB2 LEU 107 HB2 LEU 107 -9.186 0.472 2.495 3 HG LEU 107 HG LEU 107 -9.082 1.027 0.023 4 HD13 LEU 107 HD11 LEU 107 -9.271 2.714 1.771 5 HD12 LEU 107 HD12 LEU 107 -8.230 3.280 0.465 6 HD11 LEU 107 HD13 LEU 107 -7.520 2.715 1.979 7 HD21 LEU 107 HD21 LEU 107 -6.136 1.024 0.660 8 HD23 LEU 107 HD22 LEU 107 -6.862 1.704 -0.799 9 HD22 LEU 107 HD23 LEU 107 -6.967 -0.030 -0.485 10 H LEU 107 HN LEU 107 -10.530 -0.598 0.733 11 HB3 LEU 107 HB1 LEU 107 -7.462 0.165 2.407 No H/Q in entry = 11 In of MODEL 17 1 HA MET 108 HA MET 108 -8.905 -2.626 5.305 2 HB2 MET 108 HB2 MET 108 -10.797 -1.364 5.827 3 HG2 MET 108 HG2 MET 108 -11.685 -4.203 6.192 4 HE2 MET 108 HE1 MET 108 -14.244 -3.456 5.919 5 HE1 MET 108 HE2 MET 108 -13.708 -1.827 5.504 6 HE3 MET 108 HE3 MET 108 -14.938 -2.059 6.747 7 H MET 108 HN MET 108 -10.403 -1.510 3.185 8 HB3 MET 108 HB1 MET 108 -11.809 -2.296 4.755 9 HG3 MET 108 HG1 MET 108 -10.538 -3.371 7.237 No H/Q in entry = 9 In of MODEL 17 1 HA ALA 109 HA ALA 109 -10.848 -6.691 3.905 2 HB3 ALA 109 HB1 ALA 109 -11.645 -7.471 1.725 3 HB2 ALA 109 HB2 ALA 109 -11.304 -5.888 1.030 4 HB1 ALA 109 HB3 ALA 109 -12.547 -6.056 2.269 5 H ALA 109 HN ALA 109 -10.925 -4.083 2.780 No H/Q in entry = 5 In of MODEL 17 1 HA GLU 110 HA GLU 110 -7.159 -7.339 0.956 2 HB2 GLU 110 HB2 GLU 110 -6.681 -4.377 0.564 3 HG2 GLU 110 HG2 GLU 110 -7.386 -6.530 -1.414 4 H GLU 110 HN GLU 110 -8.886 -5.106 1.403 5 HB3 GLU 110 HB1 GLU 110 -5.588 -5.639 0.018 6 HG3 GLU 110 HG1 GLU 110 -8.414 -5.186 -0.913 No H/Q in entry = 6 In of MODEL 17 1 HA LYS 111 HA LYS 111 -4.698 -4.883 4.324 2 HB2 LYS 111 HB2 LYS 111 -5.828 -2.907 4.795 3 HG2 LYS 111 HG2 LYS 111 -6.296 -4.594 7.236 4 HD2 LYS 111 HD2 LYS 111 -6.191 -1.594 7.005 5 HE2 LYS 111 HE2 LYS 111 -6.988 -3.423 9.264 6 HZ2 LYS 111 HZ1 LYS 111 -8.235 -1.403 9.367 7 HZ1 LYS 111 HZ2 LYS 111 -6.843 -0.462 9.113 8 HZ3 LYS 111 HZ3 LYS 111 -7.019 -1.343 10.551 9 H LYS 111 HN LYS 111 -7.188 -4.592 3.092 10 HB3 LYS 111 HB1 LYS 111 -7.335 -3.732 5.151 11 HG3 LYS 111 HG1 LYS 111 -4.888 -3.585 6.887 12 HD3 LYS 111 HD1 LYS 111 -7.704 -2.513 7.094 13 HE3 LYS 111 HE1 LYS 111 -5.487 -2.506 9.160 No H/Q in entry = 13 In of MODEL 17 1 HA ASP 112 HA ASP 112 -6.834 -7.641 7.519 2 HB2 ASP 112 HB2 ASP 112 -9.182 -6.981 7.305 3 H ASP 112 HN ASP 112 -7.842 -6.250 5.258 4 HB3 ASP 112 HB1 ASP 112 -9.377 -8.074 5.939 No H/Q in entry = 4 In of MODEL 17 1 HA SER 113 HA SER 113 -6.589 -11.264 4.666 2 HB2 SER 113 HB2 SER 113 -6.968 -9.766 2.071 3 HG SER 113 HG SER 113 -8.822 -9.612 3.280 4 H SER 113 HN SER 113 -6.853 -8.391 4.158 5 HB3 SER 113 HB1 SER 113 -6.986 -11.516 2.264 No H/Q in entry = 5 In of MODEL 17 1 HA LEU 114 HA LEU 114 -2.708 -9.815 2.321 2 HB2 LEU 114 HB2 LEU 114 -3.329 -7.316 2.572 3 HG LEU 114 HG LEU 114 -0.476 -8.242 2.322 4 HD13 LEU 114 HD11 LEU 114 -1.933 -8.760 0.460 5 HD12 LEU 114 HD12 LEU 114 -0.799 -7.488 -0.007 6 HD11 LEU 114 HD13 LEU 114 -2.470 -7.083 0.379 7 HD23 LEU 114 HD21 LEU 114 -1.473 -5.420 2.007 8 HD22 LEU 114 HD22 LEU 114 0.168 -5.998 1.719 9 HD21 LEU 114 HD23 LEU 114 -0.497 -6.004 3.351 10 H LEU 114 HN LEU 114 -4.673 -8.556 3.973 11 HB3 LEU 114 HB1 LEU 114 -2.260 -7.342 3.959 No H/Q in entry = 11 In of MODEL 17 1 HA ASP 115 HA ASP 115 -0.487 -11.750 5.487 2 HB2 ASP 115 HB2 ASP 115 0.347 -12.819 3.363 3 H ASP 115 HN ASP 115 -0.716 -10.610 2.883 4 HB3 ASP 115 HB1 ASP 115 1.639 -11.626 3.333 No H/Q in entry = 4 In of MODEL 17 1 HA PRO 116 HA PRO 116 1.357 -8.342 7.559 2 HB2 PRO 116 HB2 PRO 116 2.550 -9.713 9.605 3 HG2 PRO 116 HG2 PRO 116 2.273 -11.864 8.752 4 HD2 PRO 116 HD2 PRO 116 0.697 -12.349 7.110 5 HB3 PRO 116 HB1 PRO 116 0.820 -9.361 9.532 6 HG3 PRO 116 HG1 PRO 116 0.778 -11.686 9.696 7 HD3 PRO 116 HD1 PRO 116 -0.506 -11.244 7.808 No H/Q in entry = 7 In of MODEL 17 1 HA SER 117 HA SER 117 5.817 -10.092 7.038 2 HB2 SER 117 HB2 SER 117 5.257 -12.296 5.953 3 HG SER 117 HG SER 117 7.210 -11.426 4.259 4 H SER 117 HN SER 117 3.252 -10.937 6.277 5 HB3 SER 117 HB1 SER 117 5.114 -11.440 4.419 No H/Q in entry = 5 In of MODEL 17 1 HA PHE 118 HA PHE 118 5.626 -7.157 3.481 2 HB2 PHE 118 HB2 PHE 118 2.637 -7.224 2.997 3 HD1 PHE 118 HD1 PHE 118 2.571 -9.686 3.052 4 HD2 PHE 118 HD2 PHE 118 5.091 -7.553 0.375 5 HE1 PHE 118 HE1 PHE 118 2.816 -11.707 1.685 6 HE2 PHE 118 HE2 PHE 118 5.337 -9.570 -1.006 7 HZ PHE 118 HZ PHE 118 4.202 -11.656 -0.353 8 H PHE 118 HN PHE 118 3.578 -8.791 4.775 9 HB3 PHE 118 HB1 PHE 118 3.835 -6.395 2.009 No H/Q in entry = 9 In of MODEL 17 1 HA THR 119 HA THR 119 4.472 -4.704 7.079 2 HB THR 119 HB THR 119 7.263 -3.901 6.262 3 HG1 THR 119 HG1 THR 119 6.216 -5.860 7.886 4 HG22 THR 119 HG21 THR 119 7.349 -2.697 8.405 5 HG21 THR 119 HG22 THR 119 5.643 -3.067 8.668 6 HG23 THR 119 HG23 THR 119 6.121 -2.032 7.323 7 H THR 119 HN THR 119 6.215 -5.933 5.279 No H/Q in entry = 7 In of MODEL 17 1 HA HIS 120 HA HIS 120 5.038 -0.744 4.631 2 HB2 HIS 120 HB2 HIS 120 6.167 -1.952 2.110 3 HD1 HIS 120 HD1 HIS 120 7.312 0.392 4.915 4 HD2 HIS 120 HD2 HIS 120 8.688 -2.685 2.501 5 HE1 HIS 120 HE1 HIS 120 9.670 -0.030 5.647 6 HE2 HIS 120 HE2 HIS 120 10.356 -2.087 4.381 7 H HIS 120 HN HIS 120 6.031 -3.378 4.169 8 HB3 HIS 120 HB1 HIS 120 5.962 -0.235 2.426 No H/Q in entry = 8 In of MODEL 17 1 HA ALA 121 HA ALA 121 1.973 -2.129 1.149 2 HB3 ALA 121 HB1 ALA 121 2.981 -4.321 0.542 3 HB1 ALA 121 HB2 ALA 121 1.218 -4.325 0.580 4 HB2 ALA 121 HB3 ALA 121 2.131 -5.035 1.913 5 H ALA 121 HN ALA 121 4.128 -3.375 2.433 No H/Q in entry = 5 In of MODEL 17 1 HA MET 122 HA MET 122 -0.636 -3.737 4.762 2 HB2 MET 122 HB2 MET 122 1.831 -4.366 6.335 3 HG2 MET 122 HG2 MET 122 0.464 -6.002 4.826 4 HE2 MET 122 HE1 MET 122 -3.309 -5.415 5.872 5 HE1 MET 122 HE2 MET 122 -2.125 -5.267 4.573 6 HE3 MET 122 HE3 MET 122 -2.038 -4.198 5.974 7 H MET 122 HN MET 122 2.144 -3.861 4.181 8 HB3 MET 122 HB1 MET 122 0.292 -4.182 7.164 9 HG3 MET 122 HG1 MET 122 1.158 -6.518 6.359 No H/Q in entry = 9 In of MODEL 17 1 HA GLN 123 HA GLN 123 0.707 -0.026 7.329 2 HB2 GLN 123 HB2 GLN 123 3.030 0.028 7.670 3 HG2 GLN 123 HG2 GLN 123 2.614 2.417 5.894 4 HE21 GLN 123 HE21 GLN 123 5.026 0.779 6.202 5 HE22 GLN 123 HE22 GLN 123 6.229 1.826 6.869 6 H GLN 123 HN GLN 123 2.140 -1.728 5.577 7 HB3 GLN 123 HB1 GLN 123 3.375 0.102 5.951 8 HG3 GLN 123 HG1 GLN 123 2.259 2.346 7.615 No H/Q in entry = 8 In of MODEL 17 1 HA LEU 124 HA LEU 124 0.369 2.775 3.646 2 HB2 LEU 124 HB2 LEU 124 0.756 0.645 1.537 3 HG LEU 124 HG LEU 124 2.824 1.617 2.687 4 HD13 LEU 124 HD11 LEU 124 2.925 0.473 0.540 5 HD12 LEU 124 HD12 LEU 124 4.027 1.849 0.564 6 HD11 LEU 124 HD13 LEU 124 2.490 1.964 -0.292 7 HD22 LEU 124 HD21 LEU 124 2.052 3.909 2.880 8 HD21 LEU 124 HD22 LEU 124 1.946 4.044 1.125 9 HD23 LEU 124 HD23 LEU 124 3.516 3.837 1.900 10 H LEU 124 HN LEU 124 1.457 0.209 3.879 11 HB3 LEU 124 HB1 LEU 124 0.310 2.304 1.177 No H/Q in entry = 11 In of MODEL 17 1 HA LEU 125 HA LEU 125 -3.659 0.401 2.545 2 HB2 LEU 125 HB2 LEU 125 -2.613 -1.972 4.070 3 HG LEU 125 HG LEU 125 -2.388 -1.979 1.573 4 HD11 LEU 125 HD11 LEU 125 -2.442 -4.015 2.936 5 HD13 LEU 125 HD12 LEU 125 -3.199 -4.263 1.364 6 HD12 LEU 125 HD13 LEU 125 -4.199 -4.053 2.797 7 HD21 LEU 125 HD21 LEU 125 -5.401 -2.128 1.718 8 HD23 LEU 125 HD22 LEU 125 -4.426 -2.412 0.273 9 HD22 LEU 125 HD23 LEU 125 -4.457 -0.812 1.016 10 H LEU 125 HN LEU 125 -1.077 -0.410 3.466 11 HB3 LEU 125 HB1 LEU 125 -4.338 -1.744 3.868 No H/Q in entry = 11 In of MODEL 17 1 HA THR 126 HA THR 126 -4.382 0.577 7.218 2 HB THR 126 HB THR 126 -1.472 1.111 7.860 3 HG1 THR 126 HG1 THR 126 -1.873 -1.073 7.472 4 HG21 THR 126 HG21 THR 126 -3.850 0.934 9.715 5 HG23 THR 126 HG22 THR 126 -2.908 2.385 9.363 6 HG22 THR 126 HG23 THR 126 -2.162 1.033 10.216 7 H THR 126 HN THR 126 -2.072 0.174 5.655 No H/Q in entry = 7 In of MODEL 17 1 HA ALA 127 HA ALA 127 -2.713 5.071 7.319 2 HB2 ALA 127 HB1 ALA 127 -1.218 6.238 5.803 3 HB3 ALA 127 HB2 ALA 127 -1.117 4.802 4.784 4 HB1 ALA 127 HB3 ALA 127 -0.475 4.763 6.425 5 H ALA 127 HN ALA 127 -1.846 2.746 6.042 No H/Q in entry = 5 In of MODEL 17 1 HA GLU 128 HA GLU 128 -4.708 6.108 3.075 2 HB2 GLU 128 HB2 GLU 128 -3.842 4.154 1.719 3 HG2 GLU 128 HG2 GLU 128 -5.783 4.088 0.116 4 H GLU 128 HN GLU 128 -3.316 3.882 4.012 5 HB3 GLU 128 HB1 GLU 128 -5.260 3.259 2.238 6 HG3 GLU 128 HG1 GLU 128 -6.641 5.123 1.253 No H/Q in entry = 6 In of MODEL 17 1 HA ILE 129 HA ILE 129 -8.588 3.834 4.645 2 HB ILE 129 HB ILE 129 -7.043 2.218 6.670 3 HD11 ILE 129 HD11 ILE 129 -6.935 -0.227 6.055 4 HD13 ILE 129 HD12 ILE 129 -7.802 -0.794 4.625 5 HD12 ILE 129 HD13 ILE 129 -8.699 -0.313 6.066 6 H ILE 129 HN ILE 129 -5.839 3.237 4.768 No H/Q in entry = 6 In of MODEL 17 1 HA GLU 130 HA GLU 130 -7.607 5.970 8.890 2 HB2 GLU 130 HB2 GLU 130 -4.784 6.476 7.956 3 HG2 GLU 130 HG2 GLU 130 -5.831 5.018 10.371 4 H GLU 130 HN GLU 130 -6.068 4.655 6.958 5 HB3 GLU 130 HB1 GLU 130 -5.505 7.238 9.364 6 HG3 GLU 130 HG1 GLU 130 -5.036 4.292 8.975 No H/Q in entry = 6 In of MODEL 17 1 HA LYS 131 HA LYS 131 -6.695 9.820 6.188 2 HB2 LYS 131 HB2 LYS 131 -5.120 8.796 4.536 3 HG2 LYS 131 HG2 LYS 131 -7.136 10.751 3.453 4 HD2 LYS 131 HD2 LYS 131 -5.279 11.333 1.858 5 HE2 LYS 131 HE2 LYS 131 -6.619 8.645 1.678 6 HZ3 LYS 131 HZ1 LYS 131 -6.214 8.935 -0.758 7 HZ2 LYS 131 HZ2 LYS 131 -4.855 8.512 0.159 8 HZ1 LYS 131 HZ3 LYS 131 -5.063 10.118 -0.367 9 H LYS 131 HN LYS 131 -6.231 7.064 5.837 10 HB3 LYS 131 HB1 LYS 131 -6.513 8.323 3.573 11 HG3 LYS 131 HG1 LYS 131 -5.581 11.111 4.208 12 HD3 LYS 131 HD1 LYS 131 -4.495 9.827 2.335 13 HE3 LYS 131 HE1 LYS 131 -7.164 10.170 0.985 No H/Q in entry = 13 In of MODEL 17 1 HA ILE 132 HA ILE 132 -10.639 9.056 3.654 2 HB ILE 132 HB ILE 132 -10.991 6.116 4.234 3 HD12 ILE 132 HD11 ILE 132 -9.591 5.239 0.836 4 HD11 ILE 132 HD12 ILE 132 -11.290 5.619 1.123 5 HD13 ILE 132 HD13 ILE 132 -10.428 4.542 2.222 6 H ILE 132 HN ILE 132 -8.577 7.312 4.489 No H/Q in entry = 6 In of MODEL 17 1 HA GLN 133 HA GLN 133 -12.797 7.588 7.568 2 HB2 GLN 133 HB2 GLN 133 -10.312 6.426 8.823 3 HG2 GLN 133 HG2 GLN 133 -12.890 5.184 7.893 4 HE21 GLN 133 HE21 GLN 133 -13.121 2.985 8.230 5 HE22 GLN 133 HE22 GLN 133 -12.241 2.135 9.455 6 H GLN 133 HN GLN 133 -10.184 7.089 6.525 7 HB3 GLN 133 HB1 GLN 133 -11.850 6.554 9.664 8 HG3 GLN 133 HG1 GLN 133 -11.300 4.985 7.159 No H/Q in entry = 8 In of MODEL 17 1 HA LYS 134 HA LYS 134 -10.366 10.831 10.062 2 HB2 LYS 134 HB2 LYS 134 -8.437 11.192 7.788 3 HG2 LYS 134 HG2 LYS 134 -8.056 10.756 10.732 4 HD2 LYS 134 HD2 LYS 134 -5.975 11.052 8.568 5 HE2 LYS 134 HE2 LYS 134 -4.407 11.132 10.441 6 HZ3 LYS 134 HZ1 LYS 134 -6.126 8.714 10.573 7 HZ2 LYS 134 HZ2 LYS 134 -4.522 8.834 11.109 8 HZ1 LYS 134 HZ3 LYS 134 -4.874 8.972 9.456 9 H LYS 134 HN LYS 134 -9.765 9.272 7.751 10 HB3 LYS 134 HB1 LYS 134 -8.648 12.435 9.012 11 HG3 LYS 134 HG1 LYS 134 -7.703 9.617 9.425 12 HD3 LYS 134 HD1 LYS 134 -6.400 12.320 9.717 13 HE3 LYS 134 HE1 LYS 134 -5.735 10.873 11.567 No H/Q in entry = 13 In of MODEL 17 1 HA3 GLY 135 HA2 GLY 135 -11.939 13.945 7.158 2 H GLY 135 HN GLY 135 -10.936 11.246 6.623 3 HA2 GLY 135 HA1 GLY 135 -11.391 13.358 5.598 No H/Q in entry = 3 In of MODEL 17 1 H1 GLY 95 HT3 GLY 95 5.845 6.075 5.563 2 H2 GLY 95 HT2 GLY 95 7.489 6.310 5.240 3 H3 GLY 95 HT1 GLY 95 6.688 4.959 4.614 4 HA2 GLY 95 HA2 GLY 95 8.080 4.365 6.506 5 HA3 GLY 95 HA1 GLY 95 6.375 4.049 6.801 No H/Q in entry = 5 In of MODEL 17 1 HA ALA 96 HA ALA 96 6.358 6.699 10.160 2 HB3 ALA 96 HB1 ALA 96 5.373 4.675 11.105 3 HB2 ALA 96 HB2 ALA 96 6.303 5.556 12.318 4 HB1 ALA 96 HB3 ALA 96 6.975 4.107 11.574 5 H ALA 96 HN ALA 96 6.931 4.110 9.076 No H/Q in entry = 5 In of MODEL 17 1 HA MET 97 HA MET 97 10.830 6.812 11.008 2 HB2 MET 97 HB2 MET 97 10.357 5.316 12.964 3 HG2 MET 97 HG2 MET 97 13.212 5.338 12.028 4 HE3 MET 97 HE1 MET 97 15.190 5.138 13.805 5 HE2 MET 97 HE2 MET 97 14.932 4.788 15.514 6 HE1 MET 97 HE3 MET 97 14.380 6.318 14.834 7 H MET 97 HN MET 97 9.144 4.512 10.249 8 HB3 MET 97 HB1 MET 97 11.116 3.998 12.088 9 HG3 MET 97 HG1 MET 97 12.423 6.526 13.063 No H/Q in entry = 9 In of MODEL 17 1 HA GLU 98 HA GLU 98 12.557 3.448 8.159 2 HB2 GLU 98 HB2 GLU 98 10.136 3.660 6.361 3 HG2 GLU 98 HG2 GLU 98 10.575 1.625 8.537 4 H GLU 98 HN GLU 98 10.083 4.804 8.700 5 HB3 GLU 98 HB1 GLU 98 11.345 2.377 6.402 6 HG3 GLU 98 HG1 GLU 98 9.499 3.007 8.694 No H/Q in entry = 6 In of MODEL 17 1 HA PRO 99 HA PRO 99 14.201 6.847 5.773 2 HB2 PRO 99 HB2 PRO 99 16.544 5.702 5.120 3 HG2 PRO 99 HG2 PRO 99 16.055 3.486 5.606 4 HD2 PRO 99 HD2 PRO 99 14.253 2.910 6.910 5 HB3 PRO 99 HB1 PRO 99 16.204 6.242 6.768 6 HG3 PRO 99 HG1 PRO 99 16.736 4.006 7.159 7 HD3 PRO 99 HD1 PRO 99 14.677 4.075 8.177 No H/Q in entry = 7 In of MODEL 17 1 HA GLU 100 HA GLU 100 12.561 5.796 1.994 2 HB2 GLU 100 HB2 GLU 100 12.625 7.533 0.431 3 HG2 GLU 100 HG2 GLU 100 15.050 7.878 0.394 4 H GLU 100 HN GLU 100 14.037 7.396 3.712 5 HB3 GLU 100 HB1 GLU 100 12.577 8.267 2.026 6 HG3 GLU 100 HG1 GLU 100 14.097 9.349 0.449 No H/Q in entry = 6 In of MODEL 17 1 HA ASN 101 HA ASN 101 16.671 5.399 -0.428 2 HB2 ASN 101 HB2 ASN 101 18.234 6.635 1.001 3 HD21 ASN 101 HD21 ASN 101 18.172 5.028 -1.385 4 HD22 ASN 101 HD22 ASN 101 19.751 4.355 -1.583 5 H ASN 101 HN ASN 101 15.992 6.492 1.998 6 HB3 ASN 101 HB1 ASN 101 18.298 5.270 2.111 No H/Q in entry = 6 In of MODEL 17 1 HA LYS 102 HA LYS 102 16.814 1.149 1.349 2 HB2 LYS 102 HB2 LYS 102 16.315 1.991 4.197 3 HG2 LYS 102 HG2 LYS 102 18.511 0.926 4.613 4 HD2 LYS 102 HD2 LYS 102 18.591 3.113 2.542 5 HE2 LYS 102 HE2 LYS 102 20.534 2.434 4.744 6 HZ3 LYS 102 HZ1 LYS 102 20.830 4.382 2.530 7 HZ2 LYS 102 HZ2 LYS 102 21.878 4.142 3.841 8 HZ1 LYS 102 HZ3 LYS 102 20.340 4.814 4.095 9 H LYS 102 HN LYS 102 16.234 3.693 2.641 10 HB3 LYS 102 HB1 LYS 102 16.390 0.297 3.734 11 HG3 LYS 102 HG1 LYS 102 18.695 0.704 2.874 12 HD3 LYS 102 HD1 LYS 102 18.344 3.356 4.270 13 HE3 LYS 102 HE1 LYS 102 20.778 2.078 3.035 No H/Q in entry = 13 In of MODEL 17 1 HA TYR 103 HA TYR 103 12.170 1.186 2.784 2 HB2 TYR 103 HB2 TYR 103 12.094 3.443 3.653 3 HD1 TYR 103 HD1 TYR 103 10.322 4.988 1.153 4 HD2 TYR 103 HD2 TYR 103 9.951 1.827 3.968 5 HE1 TYR 103 HE1 TYR 103 7.887 5.249 1.086 6 HE2 TYR 103 HE2 TYR 103 7.506 2.066 3.920 7 HH TYR 103 HH TYR 103 5.890 4.181 1.659 8 H TYR 103 HN TYR 103 14.221 3.060 2.479 9 HB3 TYR 103 HB1 TYR 103 12.208 4.109 2.039 No H/Q in entry = 9 In of MODEL 17 1 HA LEU 104 HA LEU 104 11.326 2.390 -1.809 2 HB2 LEU 104 HB2 LEU 104 13.022 4.016 -2.284 3 HG LEU 104 HG LEU 104 13.316 1.828 -4.339 4 HD12 LEU 104 HD11 LEU 104 11.603 3.124 -5.564 5 HD11 LEU 104 HD12 LEU 104 11.397 4.140 -4.135 6 HD13 LEU 104 HD13 LEU 104 11.005 2.421 -4.060 7 HD21 LEU 104 HD21 LEU 104 15.092 3.529 -4.432 8 HD23 LEU 104 HD22 LEU 104 13.861 4.788 -4.539 9 HD22 LEU 104 HD23 LEU 104 14.024 3.602 -5.834 10 H LEU 104 HN LEU 104 13.500 2.764 -0.069 11 HB3 LEU 104 HB1 LEU 104 14.274 2.793 -2.290 No H/Q in entry = 11 In of MODEL 17 1 HA PRO 105 HA PRO 105 13.632 -1.560 -3.451 2 HB2 PRO 105 HB2 PRO 105 15.408 -2.716 -1.700 3 HG2 PRO 105 HG2 PRO 105 15.385 -1.021 -0.094 4 HD2 PRO 105 HD2 PRO 105 14.703 1.149 -0.591 5 HB3 PRO 105 HB1 PRO 105 15.888 -1.612 -2.994 6 HG3 PRO 105 HG1 PRO 105 16.731 -0.485 -1.123 7 HD3 PRO 105 HD1 PRO 105 15.420 1.102 -2.218 No H/Q in entry = 7 In of MODEL 17 1 HA GLU 106 HA GLU 106 12.077 -3.749 0.565 2 HB2 GLU 106 HB2 GLU 106 11.428 -1.072 1.779 3 HG2 GLU 106 HG2 GLU 106 13.753 -1.792 2.097 4 H GLU 106 HN GLU 106 13.038 -1.170 0.000 5 HB3 GLU 106 HB1 GLU 106 10.874 -2.605 2.432 6 HG3 GLU 106 HG1 GLU 106 12.843 -1.730 3.602 No H/Q in entry = 6 In of MODEL 17 1 HA LEU 107 HA LEU 107 7.814 -1.762 -0.566 2 HB2 LEU 107 HB2 LEU 107 9.157 0.305 -2.309 3 HG LEU 107 HG LEU 107 9.062 0.838 0.168 4 HD13 LEU 107 HD11 LEU 107 9.279 2.544 -1.561 5 HD12 LEU 107 HD12 LEU 107 8.246 3.111 -0.249 6 HD11 LEU 107 HD13 LEU 107 7.529 2.574 -1.769 7 HD21 LEU 107 HD21 LEU 107 6.117 0.894 -0.468 8 HD23 LEU 107 HD22 LEU 107 6.853 1.542 1.000 9 HD22 LEU 107 HD23 LEU 107 6.927 -0.189 0.663 10 H LEU 107 HN LEU 107 10.478 -0.807 -0.553 11 HB3 LEU 107 HB1 LEU 107 7.428 0.030 -2.224 No H/Q in entry = 11 In of MODEL 17 1 HA MET 108 HA MET 108 8.822 -2.757 -5.152 2 HB2 MET 108 HB2 MET 108 10.733 -1.526 -5.662 3 HG2 MET 108 HG2 MET 108 11.576 -4.375 -6.059 4 HE2 MET 108 HE1 MET 108 14.143 -3.671 -5.778 5 HE1 MET 108 HE2 MET 108 13.636 -2.038 -5.349 6 HE3 MET 108 HE3 MET 108 14.860 -2.280 -6.593 7 H MET 108 HN MET 108 10.343 -1.697 -3.015 8 HB3 MET 108 HB1 MET 108 11.732 -2.483 -4.603 9 HG3 MET 108 HG1 MET 108 10.439 -3.515 -7.093 No H/Q in entry = 9 In of MODEL 17 1 HA ALA 109 HA ALA 109 10.691 -6.874 -3.801 2 HB2 ALA 109 HB1 ALA 109 11.470 -7.691 -1.632 3 HB3 ALA 109 HB2 ALA 109 11.150 -6.110 -0.920 4 HB1 ALA 109 HB3 ALA 109 12.397 -6.286 -2.155 5 H ALA 109 HN ALA 109 10.816 -4.283 -2.645 No H/Q in entry = 5 In of MODEL 17 1 HA GLU 110 HA GLU 110 6.993 -7.485 -0.853 2 HB2 GLU 110 HB2 GLU 110 6.570 -4.516 -0.428 3 HG2 GLU 110 HG2 GLU 110 7.222 -6.700 1.534 4 H GLU 110 HN GLU 110 8.762 -5.282 -1.276 5 HB3 GLU 110 HB1 GLU 110 5.449 -5.762 0.101 6 HG3 GLU 110 HG1 GLU 110 8.279 -5.376 1.046 No H/Q in entry = 6 In of MODEL 17 1 HA LYS 111 HA LYS 111 4.572 -4.947 -4.197 2 HB2 LYS 111 HB2 LYS 111 5.741 -2.989 -4.647 3 HG2 LYS 111 HG2 LYS 111 6.180 -4.656 -7.106 4 HD2 LYS 111 HD2 LYS 111 6.130 -1.657 -6.844 5 HE2 LYS 111 HE2 LYS 111 6.890 -3.476 -9.125 6 HZ2 LYS 111 HZ1 LYS 111 8.176 -1.476 -9.206 7 HZ1 LYS 111 HZ2 LYS 111 6.804 -0.511 -8.940 8 HZ3 LYS 111 HZ3 LYS 111 6.960 -1.382 -10.388 9 H LYS 111 HN LYS 111 7.064 -4.707 -2.959 10 HB3 LYS 111 HB1 LYS 111 7.233 -3.838 -5.009 11 HG3 LYS 111 HG1 LYS 111 4.790 -3.627 -6.746 12 HD3 LYS 111 HD1 LYS 111 7.626 -2.602 -6.943 13 HE3 LYS 111 HE1 LYS 111 5.408 -2.532 -9.007 No H/Q in entry = 13 In of MODEL 17 1 HA ASP 112 HA ASP 112 6.665 -7.709 -7.428 2 HB2 ASP 112 HB2 ASP 112 9.024 -7.088 -7.202 3 H ASP 112 HN ASP 112 7.691 -6.364 -5.145 4 HB3 ASP 112 HB1 ASP 112 9.196 -8.190 -5.844 No H/Q in entry = 4 In of MODEL 17 1 HA SER 113 HA SER 113 6.347 -11.354 -4.611 2 HB2 SER 113 HB2 SER 113 6.759 -9.902 -1.992 3 HG SER 113 HG SER 113 8.619 -9.746 -3.164 4 H SER 113 HN SER 113 6.666 -8.491 -4.077 5 HB3 SER 113 HB1 SER 113 6.751 -11.649 -2.217 No H/Q in entry = 5 In of MODEL 17 1 HA LEU 114 HA LEU 114 2.490 -9.864 -2.243 2 HB2 LEU 114 HB2 LEU 114 3.160 -7.379 -2.469 3 HG LEU 114 HG LEU 114 0.290 -8.251 -2.233 4 HD13 LEU 114 HD11 LEU 114 1.735 -8.813 -0.374 5 HD12 LEU 114 HD12 LEU 114 0.628 -7.522 0.104 6 HD11 LEU 114 HD13 LEU 114 2.308 -7.147 -0.279 7 HD23 LEU 114 HD21 LEU 114 1.334 -5.453 -1.879 8 HD22 LEU 114 HD22 LEU 114 -0.317 -6.008 -1.606 9 HD21 LEU 114 HD23 LEU 114 0.355 -6.001 -3.236 10 H LEU 114 HN LEU 114 4.477 -8.610 -3.868 11 HB3 LEU 114 HB1 LEU 114 2.093 -7.366 -3.859 No H/Q in entry = 11 In of MODEL 17 1 HA ASP 115 HA ASP 115 0.237 -11.728 -5.438 2 HB2 ASP 115 HB2 ASP 115 -0.614 -12.806 -3.326 3 H ASP 115 HN ASP 115 0.478 -10.625 -2.813 4 HB3 ASP 115 HB1 ASP 115 -1.885 -11.589 -3.282 No H/Q in entry = 4 In of MODEL 17 1 HA PRO 116 HA PRO 116 -1.536 -8.266 -7.470 2 HB2 PRO 116 HB2 PRO 116 -2.754 -9.589 -9.535 3 HG2 PRO 116 HG2 PRO 116 -2.520 -11.757 -8.707 4 HD2 PRO 116 HD2 PRO 116 -0.954 -12.288 -7.070 5 HB3 PRO 116 HB1 PRO 116 -1.017 -9.270 -9.456 6 HG3 PRO 116 HG1 PRO 116 -1.021 -11.596 -9.647 7 HD3 PRO 116 HD1 PRO 116 0.270 -11.196 -7.753 No H/Q in entry = 7 In of MODEL 17 1 HA SER 117 HA SER 117 -6.034 -9.932 -6.972 2 HB2 SER 117 HB2 SER 117 -5.519 -12.162 -5.916 3 HG SER 117 HG SER 117 -7.430 -11.346 -4.188 4 H SER 117 HN SER 117 -3.485 -10.846 -6.232 5 HB3 SER 117 HB1 SER 117 -5.343 -11.326 -4.373 No H/Q in entry = 5 In of MODEL 17 1 HA PHE 118 HA PHE 118 -5.791 -7.043 -3.379 2 HB2 PHE 118 HB2 PHE 118 -2.804 -7.161 -2.890 3 HD1 PHE 118 HD1 PHE 118 -2.784 -9.631 -2.979 4 HD2 PHE 118 HD2 PHE 118 -5.260 -7.479 -0.276 5 HE1 PHE 118 HE1 PHE 118 -3.071 -11.662 -1.637 6 HE2 PHE 118 HE2 PHE 118 -5.542 -9.503 1.081 7 HZ PHE 118 HZ PHE 118 -4.454 -11.603 0.405 8 H PHE 118 HN PHE 118 -3.765 -8.696 -4.690 9 HB3 PHE 118 HB1 PHE 118 -3.990 -6.329 -1.892 No H/Q in entry = 9 In of MODEL 17 1 HA THR 119 HA THR 119 -4.587 -4.574 -6.948 2 HB THR 119 HB THR 119 -7.368 -3.740 -6.130 3 HG1 THR 119 HG1 THR 119 -6.336 -5.692 -7.768 4 HG22 THR 119 HG21 THR 119 -7.433 -2.509 -8.257 5 HG21 THR 119 HG22 THR 119 -5.733 -2.897 -8.527 6 HG23 THR 119 HG23 THR 119 -6.201 -1.872 -7.169 7 H THR 119 HN THR 119 -6.352 -5.793 -5.172 No H/Q in entry = 7 In of MODEL 17 1 HA HIS 120 HA HIS 120 -5.086 -0.627 -4.462 2 HB2 HIS 120 HB2 HIS 120 -6.239 -1.840 -1.953 3 HD1 HIS 120 HD1 HIS 120 -7.326 0.550 -4.732 4 HD2 HIS 120 HD2 HIS 120 -8.776 -2.520 -2.353 5 HE1 HIS 120 HE1 HIS 120 -9.692 0.187 -5.474 6 HE2 HIS 120 HE2 HIS 120 -10.431 -1.870 -4.237 7 H HIS 120 HN HIS 120 -6.127 -3.250 -4.028 8 HB3 HIS 120 HB1 HIS 120 -6.001 -0.125 -2.255 No H/Q in entry = 8 In of MODEL 17 1 HA ALA 121 HA ALA 121 -2.053 -2.101 -0.996 2 HB1 ALA 121 HB1 ALA 121 -3.097 -4.278 -0.403 3 HB3 ALA 121 HB2 ALA 121 -1.335 -4.313 -0.442 4 HB2 ALA 121 HB3 ALA 121 -2.261 -5.000 -1.777 5 H ALA 121 HN ALA 121 -4.219 -3.307 -2.306 No H/Q in entry = 5 In of MODEL 17 1 HA MET 122 HA MET 122 0.537 -3.721 -4.626 2 HB2 MET 122 HB2 MET 122 -1.942 -4.288 -6.203 3 HG2 MET 122 HG2 MET 122 -0.601 -5.963 -4.713 4 HE2 MET 122 HE1 MET 122 3.177 -5.446 -5.749 5 HE1 MET 122 HE2 MET 122 1.991 -5.290 -4.454 6 HE3 MET 122 HE3 MET 122 1.933 -4.199 -5.838 7 H MET 122 HN MET 122 -2.246 -3.803 -4.042 8 HB3 MET 122 HB1 MET 122 -0.401 -4.121 -7.032 9 HG3 MET 122 HG1 MET 122 -1.311 -6.451 -6.249 No H/Q in entry = 9 In of MODEL 17 1 HA GLN 123 HA GLN 123 -0.738 0.043 -7.147 2 HB2 GLN 123 HB2 GLN 123 -3.056 0.142 -7.492 3 HG2 GLN 123 HG2 GLN 123 -2.603 2.508 -5.689 4 HE21 GLN 123 HE21 GLN 123 -5.044 0.913 -6.008 5 HE22 GLN 123 HE22 GLN 123 -6.228 1.979 -6.680 6 H GLN 123 HN GLN 123 -2.200 -1.655 -5.417 7 HB3 GLN 123 HB1 GLN 123 -3.403 0.204 -5.771 8 HG3 GLN 123 HG1 GLN 123 -2.247 2.447 -7.411 No H/Q in entry = 8 In of MODEL 17 1 HA LEU 124 HA LEU 124 -0.358 2.796 -3.433 2 HB2 LEU 124 HB2 LEU 124 -0.781 0.645 -1.350 3 HG LEU 124 HG LEU 124 -2.830 1.672 -2.489 4 HD13 LEU 124 HD11 LEU 124 -2.949 0.500 -0.356 5 HD12 LEU 124 HD12 LEU 124 -4.026 1.897 -0.361 6 HD11 LEU 124 HD13 LEU 124 -2.486 1.975 0.495 7 HD22 LEU 124 HD21 LEU 124 -2.022 3.953 -2.656 8 HD21 LEU 124 HD22 LEU 124 -1.903 4.064 -0.901 9 HD23 LEU 124 HD23 LEU 124 -3.481 3.894 -1.670 10 H LEU 124 HN LEU 124 -1.494 0.255 -3.696 11 HB3 LEU 124 HB1 LEU 124 -0.304 2.293 -0.971 No H/Q in entry = 11 In of MODEL 17 1 HA LEU 125 HA LEU 125 3.632 0.335 -2.363 2 HB2 LEU 125 HB2 LEU 125 2.544 -1.999 -3.918 3 HG LEU 125 HG LEU 125 2.319 -2.031 -1.420 4 HD11 LEU 125 HD11 LEU 125 2.333 -4.054 -2.799 5 HD13 LEU 125 HD12 LEU 125 3.087 -4.331 -1.230 6 HD12 LEU 125 HD13 LEU 125 4.088 -4.128 -2.663 7 HD21 LEU 125 HD21 LEU 125 5.330 -2.226 -1.567 8 HD23 LEU 125 HD22 LEU 125 4.353 -2.508 -0.125 9 HD22 LEU 125 HD23 LEU 125 4.408 -0.902 -0.853 10 H LEU 125 HN LEU 125 1.035 -0.418 -3.288 11 HB3 LEU 125 HB1 LEU 125 4.273 -1.801 -3.711 No H/Q in entry = 11 In of MODEL 17 1 HA THR 126 HA THR 126 4.357 0.539 -7.040 2 HB THR 126 HB THR 126 1.461 1.151 -7.673 3 HG1 THR 126 HG1 THR 126 1.840 -1.054 -7.291 4 HG21 THR 126 HG21 THR 126 3.836 0.941 -9.527 5 HG23 THR 126 HG22 THR 126 2.921 2.407 -9.162 6 HG22 THR 126 HG23 THR 126 2.151 1.079 -10.032 7 H THR 126 HN THR 126 2.042 0.164 -5.474 No H/Q in entry = 7 In of MODEL 17 1 HA ALA 127 HA ALA 127 2.773 5.072 -7.083 2 HB3 ALA 127 HB1 ALA 127 1.296 6.250 -5.553 3 HB2 ALA 127 HB2 ALA 127 1.166 4.802 -4.553 4 HB1 ALA 127 HB3 ALA 127 0.527 4.799 -6.196 5 H ALA 127 HN ALA 127 1.858 2.747 -5.840 No H/Q in entry = 5 In of MODEL 17 1 HA GLU 128 HA GLU 128 4.785 6.025 -2.827 2 HB2 GLU 128 HB2 GLU 128 3.883 4.066 -1.498 3 HG2 GLU 128 HG2 GLU 128 5.816 3.949 0.111 4 H GLU 128 HN GLU 128 3.358 3.830 -3.795 5 HB3 GLU 128 HB1 GLU 128 5.289 3.157 -2.023 6 HG3 GLU 128 HG1 GLU 128 6.690 4.994 -1.005 No H/Q in entry = 6 In of MODEL 17 1 HA ILE 129 HA ILE 129 8.625 3.701 -4.422 2 HB ILE 129 HB ILE 129 7.048 2.136 -6.461 3 HD11 ILE 129 HD11 ILE 129 6.898 -0.314 -5.878 4 HD13 ILE 129 HD12 ILE 129 7.749 -0.915 -4.455 5 HD12 ILE 129 HD13 ILE 129 8.659 -0.434 -5.889 6 H ILE 129 HN ILE 129 5.869 3.155 -4.551 No H/Q in entry = 6 In of MODEL 17 1 HA GLU 130 HA GLU 130 7.681 5.898 -8.646 2 HB2 GLU 130 HB2 GLU 130 4.868 6.450 -7.704 3 HG2 GLU 130 HG2 GLU 130 5.878 5.005 -10.141 4 H GLU 130 HN GLU 130 6.117 4.592 -6.724 5 HB3 GLU 130 HB1 GLU 130 5.602 7.212 -9.107 6 HG3 GLU 130 HG1 GLU 130 5.078 4.272 -8.749 No H/Q in entry = 6 In of MODEL 17 1 HA LYS 131 HA LYS 131 6.835 9.734 -5.898 2 HB2 LYS 131 HB2 LYS 131 5.241 8.719 -4.258 3 HG2 LYS 131 HG2 LYS 131 7.290 10.625 -3.155 4 HD2 LYS 131 HD2 LYS 131 5.444 11.229 -1.558 5 HE2 LYS 131 HE2 LYS 131 6.737 8.518 -1.404 6 HZ3 LYS 131 HZ1 LYS 131 6.340 8.786 1.031 7 HZ2 LYS 131 HZ2 LYS 131 4.960 8.426 0.114 8 HZ1 LYS 131 HZ3 LYS 131 5.221 10.012 0.661 9 H LYS 131 HN LYS 131 6.326 6.981 -5.578 10 HB3 LYS 131 HB1 LYS 131 6.625 8.214 -3.299 11 HG3 LYS 131 HG1 LYS 131 5.744 11.026 -3.909 12 HD3 LYS 131 HD1 LYS 131 4.634 9.740 -2.048 13 HE3 LYS 131 HE1 LYS 131 7.311 10.028 -0.700 No H/Q in entry = 13 In of MODEL 17 1 HA ILE 132 HA ILE 132 10.770 8.874 -3.368 2 HB ILE 132 HB ILE 132 11.066 5.936 -3.981 3 HD12 ILE 132 HD11 ILE 132 9.647 5.042 -0.599 4 HD11 ILE 132 HD12 ILE 132 11.353 5.396 -0.877 5 HD13 ILE 132 HD13 ILE 132 10.477 4.347 -1.992 6 H ILE 132 HN ILE 132 8.670 7.179 -4.216 No H/Q in entry = 6 In of MODEL 17 1 HA GLN 133 HA GLN 133 12.897 7.409 -7.304 2 HB2 GLN 133 HB2 GLN 133 10.397 6.297 -8.575 3 HG2 GLN 133 HG2 GLN 133 12.950 5.000 -7.647 4 HE21 GLN 133 HE21 GLN 133 13.139 2.803 -8.002 5 HE22 GLN 133 HE22 GLN 133 12.256 1.986 -9.240 6 H GLN 133 HN GLN 133 10.279 6.936 -6.261 7 HB3 GLN 133 HB1 GLN 133 11.939 6.407 -9.406 8 HG3 GLN 133 HG1 GLN 133 11.354 4.822 -6.919 No H/Q in entry = 8 In of MODEL 17 1 HA LYS 134 HA LYS 134 10.526 10.726 -9.763 2 HB2 LYS 134 HB2 LYS 134 8.606 11.098 -7.480 3 HG2 LYS 134 HG2 LYS 134 8.212 10.692 -10.427 4 HD2 LYS 134 HD2 LYS 134 6.141 11.009 -8.258 5 HE2 LYS 134 HE2 LYS 134 4.572 11.129 -10.129 6 HZ3 LYS 134 HZ1 LYS 134 6.256 8.685 -10.283 7 HZ2 LYS 134 HZ2 LYS 134 4.652 8.830 -10.809 8 HZ1 LYS 134 HZ3 LYS 134 5.010 8.953 -9.157 9 H LYS 134 HN LYS 134 9.897 9.153 -7.465 10 HB3 LYS 134 HB1 LYS 134 8.836 12.345 -8.693 11 HG3 LYS 134 HG1 LYS 134 7.841 9.550 -9.129 12 HD3 LYS 134 HD1 LYS 134 6.588 12.277 -9.399 13 HE3 LYS 134 HE1 LYS 134 5.898 10.855 -11.258 No H/Q in entry = 13 In of MODEL 17 1 HA3 GLY 135 HA2 GLY 135 12.158 13.773 -6.825 2 H GLY 135 HN GLY 135 11.098 11.086 -6.312 3 HA2 GLY 135 HA1 GLY 135 11.584 13.188 -5.271 No H/Q in entry = 3 In of MODEL 18 1 H1 GLY 95 HT2 GLY 95 -5.251 7.104 -11.915 2 H2 GLY 95 HT1 GLY 95 -5.489 6.603 -13.517 3 H3 GLY 95 HT3 GLY 95 -4.818 8.127 -13.192 4 HA3 GLY 95 HA1 GLY 95 -7.130 8.348 -13.845 5 HA2 GLY 95 HA2 GLY 95 -7.583 7.267 -12.531 No H/Q in entry = 5 In of MODEL 18 1 HA ALA 96 HA ALA 96 -7.402 11.407 -10.756 2 HB2 ALA 96 HB1 ALA 96 -10.371 11.183 -11.259 3 HB1 ALA 96 HB2 ALA 96 -9.225 12.126 -12.211 4 HB3 ALA 96 HB3 ALA 96 -9.551 12.565 -10.533 5 H ALA 96 HN ALA 96 -8.924 9.363 -12.168 No H/Q in entry = 5 In of MODEL 18 1 HA MET 97 HA MET 97 -9.002 7.949 -7.771 2 HB2 MET 97 HB2 MET 97 -9.809 10.602 -7.250 3 HG2 MET 97 HG2 MET 97 -8.167 9.437 -5.911 4 HE2 MET 97 HE1 MET 97 -8.469 6.808 -3.004 5 HE1 MET 97 HE2 MET 97 -8.723 8.547 -2.880 6 HE3 MET 97 HE3 MET 97 -7.389 7.917 -3.848 7 H MET 97 HN MET 97 -9.880 8.978 -10.123 8 HB3 MET 97 HB1 MET 97 -11.088 9.580 -6.618 9 HG3 MET 97 HG1 MET 97 -9.462 10.069 -4.902 No H/Q in entry = 9 In of MODEL 18 1 HA GLU 98 HA GLU 98 -12.977 6.147 -8.400 2 HB2 GLU 98 HB2 GLU 98 -13.031 3.849 -7.625 3 HG2 GLU 98 HG2 GLU 98 -10.442 4.416 -6.214 4 H GLU 98 HN GLU 98 -10.339 6.313 -7.158 5 HB3 GLU 98 HB1 GLU 98 -11.498 4.148 -8.426 6 HG3 GLU 98 HG1 GLU 98 -11.983 3.996 -5.464 No H/Q in entry = 6 In of MODEL 18 1 HA PRO 99 HA PRO 99 -15.243 7.710 -5.070 2 HB2 PRO 99 HB2 PRO 99 -17.169 5.832 -4.512 3 HG2 PRO 99 HG2 PRO 99 -16.304 4.101 -5.769 4 HD2 PRO 99 HD2 PRO 99 -14.738 4.447 -7.459 5 HB3 PRO 99 HB1 PRO 99 -17.238 6.935 -5.893 6 HG3 PRO 99 HG1 PRO 99 -17.335 4.882 -6.985 7 HD3 PRO 99 HD1 PRO 99 -15.520 5.937 -8.014 No H/Q in entry = 7 In of MODEL 18 1 HA GLU 100 HA GLU 100 -12.897 6.009 -1.820 2 HB2 GLU 100 HB2 GLU 100 -14.148 8.549 -0.791 3 HG2 GLU 100 HG2 GLU 100 -11.280 8.066 -1.536 4 H GLU 100 HN GLU 100 -14.408 7.932 -3.148 5 HB3 GLU 100 HB1 GLU 100 -12.935 7.617 0.081 6 HG3 GLU 100 HG1 GLU 100 -12.467 8.674 -2.689 No H/Q in entry = 6 In of MODEL 18 1 HA ASN 101 HA ASN 101 -16.919 5.484 0.759 2 HB2 ASN 101 HB2 ASN 101 -18.493 6.828 -0.661 3 HD21 ASN 101 HD21 ASN 101 -18.342 5.351 1.778 4 HD22 ASN 101 HD22 ASN 101 -19.914 4.693 2.090 5 H ASN 101 HN ASN 101 -16.287 6.714 -1.652 6 HB3 ASN 101 HB1 ASN 101 -18.652 5.427 -1.718 No H/Q in entry = 6 In of MODEL 18 1 HA LYS 102 HA LYS 102 -16.923 1.406 -1.388 2 HB2 LYS 102 HB2 LYS 102 -16.215 2.392 -4.152 3 HG2 LYS 102 HG2 LYS 102 -18.798 1.345 -3.020 4 HD2 LYS 102 HD2 LYS 102 -19.673 1.700 -5.302 5 HE2 LYS 102 HE2 LYS 102 -17.390 -0.250 -5.056 6 HZ3 LYS 102 HZ1 LYS 102 -18.536 -1.473 -6.816 7 HZ2 LYS 102 HZ2 LYS 102 -17.955 0.023 -7.366 8 HZ1 LYS 102 HZ3 LYS 102 -19.607 -0.175 -7.030 9 H LYS 102 HN LYS 102 -16.456 4.067 -2.446 10 HB3 LYS 102 HB1 LYS 102 -16.504 0.705 -3.746 11 HG3 LYS 102 HG1 LYS 102 -18.477 2.972 -3.628 12 HD3 LYS 102 HD1 LYS 102 -18.028 2.016 -5.858 13 HE3 LYS 102 HE1 LYS 102 -19.087 -0.549 -4.679 No H/Q in entry = 13 In of MODEL 18 1 HA TYR 103 HA TYR 103 -12.259 1.593 -2.669 2 HB2 TYR 103 HB2 TYR 103 -12.112 3.880 -3.467 3 HD1 TYR 103 HD1 TYR 103 -10.023 2.255 -3.869 4 HD2 TYR 103 HD2 TYR 103 -10.332 5.166 -0.790 5 HE1 TYR 103 HE1 TYR 103 -7.568 2.356 -3.725 6 HE2 TYR 103 HE2 TYR 103 -7.888 5.276 -0.615 7 HH TYR 103 HH TYR 103 -5.934 3.937 -1.160 8 H TYR 103 HN TYR 103 -14.316 3.468 -2.368 9 HB3 TYR 103 HB1 TYR 103 -12.231 4.486 -1.828 No H/Q in entry = 9 In of MODEL 18 1 HA LEU 104 HA LEU 104 -11.470 2.575 1.972 2 HB2 LEU 104 HB2 LEU 104 -13.144 4.204 2.504 3 HG LEU 104 HG LEU 104 -13.441 1.929 4.466 4 HD12 LEU 104 HD11 LEU 104 -11.753 3.237 5.759 5 HD11 LEU 104 HD12 LEU 104 -11.523 4.241 4.328 6 HD13 LEU 104 HD13 LEU 104 -11.135 2.525 4.267 7 HD21 LEU 104 HD21 LEU 104 -15.228 3.589 4.646 8 HD23 LEU 104 HD22 LEU 104 -14.019 4.868 4.773 9 HD22 LEU 104 HD23 LEU 104 -14.143 3.642 6.035 10 H LEU 104 HN LEU 104 -13.624 3.065 0.230 11 HB3 LEU 104 HB1 LEU 104 -14.409 2.992 2.462 No H/Q in entry = 11 In of MODEL 18 1 HA PRO 105 HA PRO 105 -13.855 -1.405 3.411 2 HB2 PRO 105 HB2 PRO 105 -15.590 -2.477 1.566 3 HG2 PRO 105 HG2 PRO 105 -15.517 -0.721 0.037 4 HD2 PRO 105 HD2 PRO 105 -14.837 1.423 0.639 5 HB3 PRO 105 HB1 PRO 105 -16.099 -1.425 2.895 6 HG3 PRO 105 HG1 PRO 105 -16.887 -0.217 1.049 7 HD3 PRO 105 HD1 PRO 105 -15.599 1.317 2.242 No H/Q in entry = 7 In of MODEL 18 1 HA GLU 106 HA GLU 106 -12.129 -3.356 -0.693 2 HB2 GLU 106 HB2 GLU 106 -11.447 -0.541 -1.519 3 HG2 GLU 106 HG2 GLU 106 -13.641 -1.827 -2.181 4 H GLU 106 HN GLU 106 -13.148 -0.852 0.019 5 HB3 GLU 106 HB1 GLU 106 -10.681 -1.943 -2.248 6 HG3 GLU 106 HG1 GLU 106 -12.777 -0.800 -3.326 No H/Q in entry = 6 In of MODEL 18 1 HA LEU 107 HA LEU 107 -7.958 -1.544 0.874 2 HB2 LEU 107 HB2 LEU 107 -9.324 0.536 2.579 3 HG LEU 107 HG LEU 107 -9.097 1.127 0.149 4 HD13 LEU 107 HD11 LEU 107 -8.136 3.319 0.608 5 HD12 LEU 107 HD12 LEU 107 -7.446 2.709 2.111 6 HD11 LEU 107 HD13 LEU 107 -9.196 2.806 1.921 7 HD23 LEU 107 HD21 LEU 107 -6.832 1.650 -0.654 8 HD22 LEU 107 HD22 LEU 107 -7.035 -0.072 -0.325 9 HD21 LEU 107 HD23 LEU 107 -6.160 0.950 0.818 10 H LEU 107 HN LEU 107 -10.606 -0.535 0.798 11 HB3 LEU 107 HB1 LEU 107 -7.604 0.203 2.594 No H/Q in entry = 11 In of MODEL 18 1 HA MET 108 HA MET 108 -9.072 -2.684 5.376 2 HB2 MET 108 HB2 MET 108 -11.125 -2.978 6.521 3 HG2 MET 108 HG2 MET 108 -12.566 -2.339 3.968 4 HE2 MET 108 HE1 MET 108 -14.396 -0.083 6.629 5 HE1 MET 108 HE2 MET 108 -13.608 -0.117 5.052 6 HE3 MET 108 HE3 MET 108 -12.659 -0.364 6.516 7 H MET 108 HN MET 108 -10.573 -1.500 3.268 8 HB3 MET 108 HB1 MET 108 -11.143 -1.414 5.728 9 HG3 MET 108 HG1 MET 108 -12.554 -3.898 4.792 No H/Q in entry = 9 In of MODEL 18 1 HA ALA 109 HA ALA 109 -10.952 -6.709 3.808 2 HB3 ALA 109 HB1 ALA 109 -11.655 -7.403 1.528 3 HB2 ALA 109 HB2 ALA 109 -11.388 -5.747 0.972 4 HB1 ALA 109 HB3 ALA 109 -12.634 -6.087 2.175 5 H ALA 109 HN ALA 109 -10.999 -4.074 2.751 No H/Q in entry = 5 In of MODEL 18 1 HA GLU 110 HA GLU 110 -7.229 -7.293 0.935 2 HB2 GLU 110 HB2 GLU 110 -6.765 -4.330 0.528 3 HG2 GLU 110 HG2 GLU 110 -7.446 -6.510 -1.436 4 H GLU 110 HN GLU 110 -8.949 -5.055 1.387 5 HB3 GLU 110 HB1 GLU 110 -5.656 -5.584 -0.004 6 HG3 GLU 110 HG1 GLU 110 -8.482 -5.168 -0.952 No H/Q in entry = 6 In of MODEL 18 1 HA LYS 111 HA LYS 111 -4.719 -4.820 4.253 2 HB2 LYS 111 HB2 LYS 111 -5.808 -2.886 4.881 3 HG2 LYS 111 HG2 LYS 111 -6.429 -4.625 7.256 4 HD2 LYS 111 HD2 LYS 111 -5.729 -1.706 7.213 5 HE2 LYS 111 HE2 LYS 111 -5.523 -3.075 9.321 6 HZ3 LYS 111 HZ1 LYS 111 -8.481 -2.986 9.353 7 HZ2 LYS 111 HZ2 LYS 111 -7.437 -3.794 10.417 8 HZ1 LYS 111 HZ3 LYS 111 -7.642 -4.363 8.835 9 H LYS 111 HN LYS 111 -7.239 -4.551 3.101 10 HB3 LYS 111 HB1 LYS 111 -7.326 -3.712 5.193 11 HG3 LYS 111 HG1 LYS 111 -4.867 -3.873 6.927 12 HD3 LYS 111 HD1 LYS 111 -7.397 -2.270 7.110 13 HE3 LYS 111 HE1 LYS 111 -6.573 -1.662 9.409 No H/Q in entry = 13 In of MODEL 18 1 HA ASP 112 HA ASP 112 -6.345 -7.681 7.457 2 HB2 ASP 112 HB2 ASP 112 -9.219 -7.511 6.663 3 H ASP 112 HN ASP 112 -7.769 -6.333 5.329 4 HB3 ASP 112 HB1 ASP 112 -8.692 -8.778 7.769 No H/Q in entry = 4 In of MODEL 18 1 HA SER 113 HA SER 113 -6.658 -11.247 4.658 2 HB2 SER 113 HB2 SER 113 -7.106 -9.668 2.121 3 HG SER 113 HG SER 113 -8.970 -9.496 3.174 4 H SER 113 HN SER 113 -6.765 -8.344 4.232 5 HB3 SER 113 HB1 SER 113 -7.151 -11.424 2.254 No H/Q in entry = 5 In of MODEL 18 1 HA LEU 114 HA LEU 114 -2.773 -9.858 2.319 2 HB2 LEU 114 HB2 LEU 114 -3.369 -7.365 2.547 3 HG LEU 114 HG LEU 114 -0.518 -8.304 2.362 4 HD12 LEU 114 HD11 LEU 114 -0.789 -7.545 0.026 5 HD11 LEU 114 HD12 LEU 114 -2.466 -7.128 0.375 6 HD13 LEU 114 HD13 LEU 114 -1.940 -8.809 0.468 7 HD22 LEU 114 HD21 LEU 114 0.165 -6.072 1.766 8 HD21 LEU 114 HD22 LEU 114 -0.535 -6.063 3.385 9 HD23 LEU 114 HD23 LEU 114 -1.473 -5.472 2.018 10 H LEU 114 HN LEU 114 -4.678 -8.609 4.077 11 HB3 LEU 114 HB1 LEU 114 -2.331 -7.377 3.959 No H/Q in entry = 11 In of MODEL 18 1 HA ASP 115 HA ASP 115 -0.440 -11.774 5.428 2 HB2 ASP 115 HB2 ASP 115 0.411 -12.714 3.218 3 H ASP 115 HN ASP 115 -0.739 -10.597 2.847 4 HB3 ASP 115 HB1 ASP 115 1.699 -11.518 3.310 No H/Q in entry = 4 In of MODEL 18 1 HA PRO 116 HA PRO 116 1.301 -8.292 7.490 2 HB2 PRO 116 HB2 PRO 116 2.444 -9.617 9.591 3 HG2 PRO 116 HG2 PRO 116 2.234 -11.781 8.767 4 HD2 PRO 116 HD2 PRO 116 0.742 -12.321 7.074 5 HB3 PRO 116 HB1 PRO 116 0.709 -9.295 9.462 6 HG3 PRO 116 HG1 PRO 116 0.705 -11.620 9.659 7 HD3 PRO 116 HD1 PRO 116 -0.528 -11.257 7.720 No H/Q in entry = 7 In of MODEL 18 1 HA SER 117 HA SER 117 5.779 -10.013 7.088 2 HB2 SER 117 HB2 SER 117 5.345 -12.262 6.143 3 HG SER 117 HG SER 117 7.297 -10.582 5.018 4 H SER 117 HN SER 117 3.231 -10.910 6.300 5 HB3 SER 117 HB1 SER 117 5.050 -11.524 4.570 No H/Q in entry = 5 In of MODEL 18 1 HA PHE 118 HA PHE 118 5.632 -7.183 3.479 2 HB2 PHE 118 HB2 PHE 118 2.649 -7.267 2.952 3 HD1 PHE 118 HD1 PHE 118 5.138 -7.562 0.359 4 HD2 PHE 118 HD2 PHE 118 2.619 -9.740 3.003 5 HE1 PHE 118 HE1 PHE 118 5.438 -9.572 -1.018 6 HE2 PHE 118 HE2 PHE 118 2.919 -11.754 1.641 7 HZ PHE 118 HZ PHE 118 4.330 -11.678 -0.381 8 H PHE 118 HN PHE 118 3.569 -8.804 4.763 9 HB3 PHE 118 HB1 PHE 118 3.852 -6.425 1.982 No H/Q in entry = 9 In of MODEL 18 1 HA THR 119 HA THR 119 4.413 -4.793 7.084 2 HB THR 119 HB THR 119 7.231 -3.984 6.361 3 HG1 THR 119 HG1 THR 119 6.074 -5.858 8.098 4 HG21 THR 119 HG21 THR 119 6.056 -2.136 7.447 5 HG23 THR 119 HG22 THR 119 7.278 -2.827 8.518 6 HG22 THR 119 HG23 THR 119 5.572 -3.208 8.763 7 H THR 119 HN THR 119 6.194 -5.977 5.303 No H/Q in entry = 7 In of MODEL 18 1 HA HIS 120 HA HIS 120 4.973 -0.783 4.715 2 HB2 HIS 120 HB2 HIS 120 6.250 -1.941 2.239 3 HD1 HIS 120 HD1 HIS 120 7.078 0.362 5.176 4 HD2 HIS 120 HD2 HIS 120 8.835 -2.444 2.676 5 HE1 HIS 120 HE1 HIS 120 9.428 0.091 6.020 6 HE2 HIS 120 HE2 HIS 120 10.380 -1.808 4.652 7 H HIS 120 HN HIS 120 6.037 -3.394 4.244 8 HB3 HIS 120 HB1 HIS 120 5.952 -0.232 2.533 No H/Q in entry = 8 In of MODEL 18 1 HA ALA 121 HA ALA 121 2.038 -2.220 1.149 2 HB1 ALA 121 HB1 ALA 121 1.325 -4.421 0.584 3 HB3 ALA 121 HB2 ALA 121 2.159 -5.107 1.978 4 HB2 ALA 121 HB3 ALA 121 3.089 -4.434 0.640 5 H ALA 121 HN ALA 121 4.167 -3.429 2.503 No H/Q in entry = 5 In of MODEL 18 1 HA MET 122 HA MET 122 -0.627 -3.785 4.754 2 HB2 MET 122 HB2 MET 122 1.835 -4.402 6.342 3 HG2 MET 122 HG2 MET 122 0.453 -6.042 4.843 4 HE1 MET 122 HE1 MET 122 -2.135 -5.266 4.631 5 HE3 MET 122 HE2 MET 122 -1.994 -4.207 6.035 6 HE2 MET 122 HE3 MET 122 -3.292 -5.398 5.956 7 H MET 122 HN MET 122 2.158 -3.919 4.194 8 HB3 MET 122 HB1 MET 122 0.294 -4.207 7.166 9 HG3 MET 122 HG1 MET 122 1.164 -6.553 6.370 No H/Q in entry = 9 In of MODEL 18 1 HA GLN 123 HA GLN 123 0.753 -0.042 7.289 2 HB2 GLN 123 HB2 GLN 123 3.104 -0.039 7.557 3 HG2 GLN 123 HG2 GLN 123 2.388 2.404 5.982 4 HE21 GLN 123 HE21 GLN 123 3.860 4.120 5.952 5 HE22 GLN 123 HE22 GLN 123 5.568 3.843 6.052 6 H GLN 123 HN GLN 123 2.144 -1.780 5.538 7 HB3 GLN 123 HB1 GLN 123 3.387 0.060 5.826 8 HG3 GLN 123 HG1 GLN 123 2.603 2.238 7.721 No H/Q in entry = 8 In of MODEL 18 1 HA LEU 124 HA LEU 124 0.432 2.773 3.634 2 HB2 LEU 124 HB2 LEU 124 0.863 0.677 1.499 3 HG LEU 124 HG LEU 124 2.902 1.611 2.736 4 HD11 LEU 124 HD11 LEU 124 2.654 2.019 -0.248 5 HD13 LEU 124 HD12 LEU 124 3.085 0.518 0.574 6 HD12 LEU 124 HD13 LEU 124 4.169 1.906 0.648 7 HD21 LEU 124 HD21 LEU 124 2.101 4.085 1.200 8 HD23 LEU 124 HD22 LEU 124 3.630 3.845 2.044 9 HD22 LEU 124 HD23 LEU 124 2.122 3.905 2.956 10 H LEU 124 HN LEU 124 1.512 0.201 3.839 11 HB3 LEU 124 HB1 LEU 124 0.441 2.349 1.161 No H/Q in entry = 11 In of MODEL 18 1 HA LEU 125 HA LEU 125 -3.571 0.406 2.412 2 HB2 LEU 125 HB2 LEU 125 -2.525 -1.965 3.927 3 HG LEU 125 HG LEU 125 -2.415 -1.958 1.405 4 HD11 LEU 125 HD11 LEU 125 -2.367 -3.984 2.802 5 HD13 LEU 125 HD12 LEU 125 -3.174 -4.256 1.260 6 HD12 LEU 125 HD13 LEU 125 -4.128 -4.058 2.726 7 HD21 LEU 125 HD21 LEU 125 -4.571 -0.829 1.016 8 HD23 LEU 125 HD22 LEU 125 -5.411 -2.220 1.705 9 HD22 LEU 125 HD23 LEU 125 -4.492 -2.395 0.207 10 H LEU 125 HN LEU 125 -1.007 -0.403 3.381 11 HB3 LEU 125 HB1 LEU 125 -4.251 -1.724 3.786 No H/Q in entry = 11 In of MODEL 18 1 HA THR 126 HA THR 126 -4.435 0.584 7.032 2 HB THR 126 HB THR 126 -1.542 0.982 7.821 3 HG1 THR 126 HG1 THR 126 -1.973 -1.174 7.428 4 HG21 THR 126 HG21 THR 126 -4.017 0.948 9.549 5 HG23 THR 126 HG22 THR 126 -2.921 2.309 9.291 6 HG22 THR 126 HG23 THR 126 -2.360 0.875 10.151 7 H THR 126 HN THR 126 -2.054 0.180 5.557 No H/Q in entry = 7 In of MODEL 18 1 HA ALA 127 HA ALA 127 -2.618 5.034 7.296 2 HB3 ALA 127 HB1 ALA 127 -1.020 4.757 4.760 3 HB1 ALA 127 HB2 ALA 127 -0.385 4.689 6.405 4 HB2 ALA 127 HB3 ALA 127 -1.096 6.185 5.795 5 H ALA 127 HN ALA 127 -1.783 2.703 6.020 No H/Q in entry = 5 In of MODEL 18 1 HA GLU 128 HA GLU 128 -4.635 6.157 3.107 2 HB2 GLU 128 HB2 GLU 128 -3.814 4.264 1.665 3 HG2 GLU 128 HG2 GLU 128 -5.702 4.301 0.074 4 H GLU 128 HN GLU 128 -3.250 3.893 3.979 5 HB3 GLU 128 HB1 GLU 128 -5.205 3.338 2.202 6 HG3 GLU 128 HG1 GLU 128 -6.679 5.099 1.301 No H/Q in entry = 6 In of MODEL 18 1 HA ILE 129 HA ILE 129 -8.482 3.835 4.700 2 HB ILE 129 HB ILE 129 -6.890 2.282 6.741 3 HD12 ILE 129 HD11 ILE 129 -8.594 -0.252 6.233 4 HD11 ILE 129 HD12 ILE 129 -6.830 -0.199 6.212 5 HD13 ILE 129 HD13 ILE 129 -7.711 -0.798 4.806 6 H ILE 129 HN ILE 129 -5.744 3.260 4.766 No H/Q in entry = 6 In of MODEL 18 1 HA GLU 130 HA GLU 130 -7.527 6.036 8.922 2 HB2 GLU 130 HB2 GLU 130 -4.724 6.684 8.002 3 HG2 GLU 130 HG2 GLU 130 -5.694 5.000 10.297 4 H GLU 130 HN GLU 130 -5.954 4.745 7.001 5 HB3 GLU 130 HB1 GLU 130 -5.471 7.310 9.462 6 HG3 GLU 130 HG1 GLU 130 -4.839 4.433 8.861 No H/Q in entry = 6 In of MODEL 18 1 HA LYS 131 HA LYS 131 -6.802 9.898 6.124 2 HB2 LYS 131 HB2 LYS 131 -6.487 8.158 3.678 3 HG2 LYS 131 HG2 LYS 131 -4.537 10.159 4.779 4 HD2 LYS 131 HD2 LYS 131 -2.970 9.011 3.316 5 HE2 LYS 131 HE2 LYS 131 -5.523 9.915 2.005 6 HZ1 LYS 131 HZ1 LYS 131 -2.898 9.353 0.736 7 HZ3 LYS 131 HZ2 LYS 131 -4.194 10.142 -0.015 8 HZ2 LYS 131 HZ3 LYS 131 -4.349 8.517 0.451 9 H LYS 131 HN LYS 131 -6.173 7.169 5.884 10 HB3 LYS 131 HB1 LYS 131 -6.599 9.910 3.633 11 HG3 LYS 131 HG1 LYS 131 -4.473 8.438 5.169 12 HD3 LYS 131 HD1 LYS 131 -4.238 7.892 2.812 13 HE3 LYS 131 HE1 LYS 131 -4.049 10.847 2.270 No H/Q in entry = 13 In of MODEL 18 1 HA ILE 132 HA ILE 132 -10.850 8.847 3.986 2 HB ILE 132 HB ILE 132 -10.970 5.875 4.397 3 HD13 ILE 132 HD11 ILE 132 -10.375 4.430 2.292 4 HD12 ILE 132 HD12 ILE 132 -9.578 5.237 0.940 5 HD11 ILE 132 HD13 ILE 132 -11.289 5.526 1.254 6 H ILE 132 HN ILE 132 -8.614 7.198 4.670 No H/Q in entry = 6 In of MODEL 18 1 HA GLN 133 HA GLN 133 -12.540 6.669 7.993 2 HB2 GLN 133 HB2 GLN 133 -9.740 6.509 9.101 3 HG2 GLN 133 HG2 GLN 133 -10.582 4.636 7.654 4 HE21 GLN 133 HE21 GLN 133 -12.734 4.478 7.140 5 HE22 GLN 133 HE22 GLN 133 -13.873 3.635 8.133 6 H GLN 133 HN GLN 133 -10.064 6.717 6.701 7 HB3 GLN 133 HB1 GLN 133 -11.169 6.278 10.094 8 HG3 GLN 133 HG1 GLN 133 -10.037 4.197 9.265 No H/Q in entry = 8 In of MODEL 18 1 HA LYS 134 HA LYS 134 -11.032 10.511 10.365 2 HB2 LYS 134 HB2 LYS 134 -9.422 12.245 9.785 3 HG2 LYS 134 HG2 LYS 134 -8.689 10.653 7.351 4 HD2 LYS 134 HD2 LYS 134 -7.978 13.445 8.227 5 HE2 LYS 134 HE2 LYS 134 -6.562 13.520 6.296 6 HZ2 LYS 134 HZ1 LYS 134 -8.166 13.416 4.506 7 HZ1 LYS 134 HZ2 LYS 134 -8.902 14.080 5.882 8 HZ3 LYS 134 HZ3 LYS 134 -9.212 12.472 5.444 9 H LYS 134 HN LYS 134 -9.928 9.030 8.205 10 HB3 LYS 134 HB1 LYS 134 -8.651 10.664 9.712 11 HG3 LYS 134 HG1 LYS 134 -9.762 12.051 7.293 12 HD3 LYS 134 HD1 LYS 134 -6.911 12.039 8.278 13 HE3 LYS 134 HE1 LYS 134 -6.935 11.844 5.897 No H/Q in entry = 13 In of MODEL 18 1 HA3 GLY 135 HA2 GLY 135 -13.465 11.503 5.876 2 H GLY 135 HN GLY 135 -11.678 10.450 6.967 3 HA2 GLY 135 HA1 GLY 135 -13.671 12.550 7.277 No H/Q in entry = 3 In of MODEL 18 1 H1 GLY 95 HT2 GLY 95 5.367 6.893 12.150 2 H2 GLY 95 HT1 GLY 95 5.608 6.387 13.751 3 H3 GLY 95 HT3 GLY 95 4.961 7.920 13.435 4 HA2 GLY 95 HA2 GLY 95 7.700 7.012 12.756 5 HA3 GLY 95 HA1 GLY 95 7.276 8.094 14.076 No H/Q in entry = 5 In of MODEL 18 1 HA ALA 96 HA ALA 96 7.591 11.172 11.019 2 HB1 ALA 96 HB1 ALA 96 10.555 10.880 11.514 3 HB3 ALA 96 HB2 ALA 96 9.431 11.841 12.476 4 HB2 ALA 96 HB3 ALA 96 9.762 12.286 10.801 5 H ALA 96 HN ALA 96 9.078 9.088 12.410 No H/Q in entry = 5 In of MODEL 18 1 HA MET 97 HA MET 97 9.121 7.706 8.009 2 HB2 MET 97 HB2 MET 97 9.987 10.347 7.502 3 HG2 MET 97 HG2 MET 97 8.310 9.236 6.162 4 HE2 MET 97 HE1 MET 97 8.560 6.616 3.228 5 HE1 MET 97 HE2 MET 97 8.851 8.353 3.127 6 HE3 MET 97 HE3 MET 97 7.499 7.741 4.078 7 H MET 97 HN MET 97 10.018 8.704 10.362 8 HB3 MET 97 HB1 MET 97 11.238 9.295 6.860 9 HG3 MET 97 HG1 MET 97 9.621 9.837 5.149 No H/Q in entry = 9 In of MODEL 18 1 HA GLU 98 HA GLU 98 13.060 5.822 8.616 2 HB2 GLU 98 HB2 GLU 98 13.072 3.532 7.821 3 HG2 GLU 98 HG2 GLU 98 10.490 4.170 6.420 4 H GLU 98 HN GLU 98 10.429 6.049 7.379 5 HB3 GLU 98 HB1 GLU 98 11.547 3.851 8.629 6 HG3 GLU 98 HG1 GLU 98 12.020 3.726 5.664 No H/Q in entry = 6 In of MODEL 18 1 HA PRO 99 HA PRO 99 15.357 7.365 5.295 2 HB2 PRO 99 HB2 PRO 99 17.252 5.468 4.724 3 HG2 PRO 99 HG2 PRO 99 16.348 3.734 5.962 4 HD2 PRO 99 HD2 PRO 99 14.796 4.096 7.665 5 HB3 PRO 99 HB1 PRO 99 17.330 6.552 6.119 6 HG3 PRO 99 HG1 PRO 99 17.400 4.482 7.183 7 HD3 PRO 99 HD1 PRO 99 15.610 5.568 8.226 No H/Q in entry = 7 In of MODEL 18 1 HA GLU 100 HA GLU 100 12.984 5.746 2.032 2 HB2 GLU 100 HB2 GLU 100 14.281 8.275 1.025 3 HG2 GLU 100 HG2 GLU 100 11.407 7.826 1.766 4 H GLU 100 HN GLU 100 14.532 7.614 3.378 5 HB3 GLU 100 HB1 GLU 100 13.053 7.369 0.144 6 HG3 GLU 100 HG1 GLU 100 12.600 8.408 2.925 No H/Q in entry = 6 In of MODEL 18 1 HA ASN 101 HA ASN 101 16.993 5.161 -0.548 2 HB2 ASN 101 HB2 ASN 101 18.590 6.469 0.875 3 HD21 ASN 101 HD21 ASN 101 18.422 5.014 -1.578 4 HD22 ASN 101 HD22 ASN 101 19.983 4.336 -1.882 5 H ASN 101 HN ASN 101 16.393 6.388 1.878 6 HB3 ASN 101 HB1 ASN 101 18.724 5.060 1.925 No H/Q in entry = 6 In of MODEL 18 1 HA LYS 102 HA LYS 102 16.918 1.070 1.561 2 HB2 LYS 102 HB2 LYS 102 16.230 2.046 4.332 3 HG2 LYS 102 HG2 LYS 102 18.799 0.953 3.201 4 HD2 LYS 102 HD2 LYS 102 19.677 1.276 5.487 5 HE2 LYS 102 HE2 LYS 102 17.346 -0.617 5.225 6 HZ3 LYS 102 HZ1 LYS 102 18.457 -1.884 6.971 7 HZ2 LYS 102 HZ2 LYS 102 17.910 -0.387 7.537 8 HZ1 LYS 102 HZ3 LYS 102 19.560 -0.615 7.208 9 H LYS 102 HN LYS 102 16.503 3.733 2.647 10 HB3 LYS 102 HB1 LYS 102 16.487 0.358 3.913 11 HG3 LYS 102 HG1 LYS 102 18.509 2.585 3.815 12 HD3 LYS 102 HD1 LYS 102 18.038 1.628 6.044 13 HE3 LYS 102 HE1 LYS 102 19.033 -0.956 4.849 No H/Q in entry = 13 In of MODEL 18 1 HA TYR 103 HA TYR 103 12.262 1.329 2.846 2 HB2 TYR 103 HB2 TYR 103 12.158 3.606 3.665 3 HD1 TYR 103 HD1 TYR 103 10.035 2.022 4.051 4 HD2 TYR 103 HD2 TYR 103 10.400 4.958 1.000 5 HE1 TYR 103 HE1 TYR 103 7.584 2.178 3.912 6 HE2 TYR 103 HE2 TYR 103 7.959 5.117 0.831 7 HH TYR 103 HH TYR 103 5.980 3.804 1.368 8 H TYR 103 HN TYR 103 14.345 3.175 2.557 9 HB3 TYR 103 HB1 TYR 103 12.288 4.227 2.032 No H/Q in entry = 9 In of MODEL 18 1 HA LEU 104 HA LEU 104 11.486 2.372 -1.786 2 HB2 LEU 104 HB2 LEU 104 13.190 3.973 -2.307 3 HG LEU 104 HG LEU 104 13.441 1.707 -4.284 4 HD12 LEU 104 HD11 LEU 104 11.780 3.067 -5.569 5 HD11 LEU 104 HD12 LEU 104 11.568 4.056 -4.122 6 HD13 LEU 104 HD13 LEU 104 11.152 2.347 -4.084 7 HD21 LEU 104 HD21 LEU 104 15.266 3.331 -4.454 8 HD23 LEU 104 HD22 LEU 104 14.089 4.640 -4.571 9 HD22 LEU 104 HD23 LEU 104 14.183 3.421 -5.843 10 H LEU 104 HN LEU 104 13.650 2.809 -0.041 11 HB3 LEU 104 HB1 LEU 104 14.434 2.742 -2.272 No H/Q in entry = 11 In of MODEL 18 1 HA PRO 105 HA PRO 105 13.791 -1.642 -3.261 2 HB2 PRO 105 HB2 PRO 105 15.519 -2.763 -1.434 3 HG2 PRO 105 HG2 PRO 105 15.477 -1.022 0.116 4 HD2 PRO 105 HD2 PRO 105 14.834 1.143 -0.465 5 HB3 PRO 105 HB1 PRO 105 16.038 -1.703 -2.752 6 HG3 PRO 105 HG1 PRO 105 16.852 -0.531 -0.896 7 HD3 PRO 105 HD1 PRO 105 15.591 1.034 -2.071 No H/Q in entry = 7 In of MODEL 18 1 HA GLU 106 HA GLU 106 12.032 -3.593 0.822 2 HB2 GLU 106 HB2 GLU 106 11.409 -0.775 1.674 3 HG2 GLU 106 HG2 GLU 106 13.580 -2.121 2.316 4 H GLU 106 HN GLU 106 13.102 -1.105 0.135 5 HB3 GLU 106 HB1 GLU 106 10.614 -2.167 2.393 6 HG3 GLU 106 HG1 GLU 106 12.744 -1.079 3.470 No H/Q in entry = 6 In of MODEL 18 1 HA LEU 107 HA LEU 107 7.895 -1.686 -0.722 2 HB2 LEU 107 HB2 LEU 107 9.299 0.373 -2.413 3 HG LEU 107 HG LEU 107 9.087 0.953 0.023 4 HD13 LEU 107 HD11 LEU 107 8.170 3.162 -0.415 5 HD12 LEU 107 HD12 LEU 107 7.469 2.586 -1.925 6 HD11 LEU 107 HD13 LEU 107 9.221 2.644 -1.732 7 HD23 LEU 107 HD21 LEU 107 6.837 1.511 0.834 8 HD22 LEU 107 HD22 LEU 107 7.008 -0.211 0.489 9 HD21 LEU 107 HD23 LEU 107 6.146 0.834 -0.643 10 H LEU 107 HN LEU 107 10.554 -0.720 -0.626 11 HB3 LEU 107 HB1 LEU 107 7.572 0.076 -2.430 No H/Q in entry = 11 In of MODEL 18 1 HA MET 108 HA MET 108 8.994 -2.803 -5.232 2 HB2 MET 108 HB2 MET 108 11.040 -3.137 -6.380 3 HG2 MET 108 HG2 MET 108 12.491 -2.547 -3.819 4 HE3 MET 108 HE1 MET 108 14.362 -0.300 -6.466 5 HE2 MET 108 HE2 MET 108 13.571 -0.325 -4.891 6 HE1 MET 108 HE3 MET 108 12.620 -0.556 -6.358 7 H MET 108 HN MET 108 10.512 -1.667 -3.115 8 HB3 MET 108 HB1 MET 108 11.091 -1.578 -5.578 9 HG3 MET 108 HG1 MET 108 12.453 -4.097 -4.657 No H/Q in entry = 9 In of MODEL 18 1 HA ALA 109 HA ALA 109 10.793 -6.880 -3.701 2 HB2 ALA 109 HB1 ALA 109 11.483 -7.603 -1.426 3 HB3 ALA 109 HB2 ALA 109 11.247 -5.946 -0.859 4 HB1 ALA 109 HB3 ALA 109 12.483 -6.301 -2.067 5 H ALA 109 HN ALA 109 10.885 -4.255 -2.620 No H/Q in entry = 5 In of MODEL 18 1 HA GLU 110 HA GLU 110 7.059 -7.421 -0.827 2 HB2 GLU 110 HB2 GLU 110 6.653 -4.456 -0.392 3 HG2 GLU 110 HG2 GLU 110 7.293 -6.670 1.542 4 H GLU 110 HN GLU 110 8.821 -5.213 -1.263 5 HB3 GLU 110 HB1 GLU 110 5.518 -5.693 0.129 6 HG3 GLU 110 HG1 GLU 110 8.353 -5.341 1.072 No H/Q in entry = 6 In of MODEL 18 1 HA LYS 111 HA LYS 111 4.592 -4.877 -4.130 2 HB2 LYS 111 HB2 LYS 111 5.720 -2.958 -4.742 3 HG2 LYS 111 HG2 LYS 111 6.310 -4.687 -7.132 4 HD2 LYS 111 HD2 LYS 111 5.668 -1.756 -7.065 5 HE2 LYS 111 HE2 LYS 111 5.440 -3.109 -9.182 6 HZ3 LYS 111 HZ1 LYS 111 8.400 -3.060 -9.209 7 HZ2 LYS 111 HZ2 LYS 111 7.349 -3.839 -10.291 8 HZ1 LYS 111 HZ3 LYS 111 7.539 -4.436 -8.715 9 H LYS 111 HN LYS 111 7.117 -4.667 -2.974 10 HB3 LYS 111 HB1 LYS 111 7.221 -3.813 -5.062 11 HG3 LYS 111 HG1 LYS 111 4.759 -3.910 -6.796 12 HD3 LYS 111 HD1 LYS 111 7.324 -2.353 -6.965 13 HE3 LYS 111 HE1 LYS 111 6.507 -1.710 -9.259 No H/Q in entry = 13 In of MODEL 18 1 HA ASP 112 HA ASP 112 6.168 -7.737 -7.348 2 HB2 ASP 112 HB2 ASP 112 9.045 -7.628 -6.556 3 H ASP 112 HN ASP 112 7.614 -6.438 -5.210 4 HB3 ASP 112 HB1 ASP 112 8.491 -8.878 -7.671 No H/Q in entry = 4 In of MODEL 18 1 HA SER 113 HA SER 113 6.408 -11.336 -4.591 2 HB2 SER 113 HB2 SER 113 6.901 -9.786 -2.042 3 HG SER 113 HG SER 113 8.775 -9.674 -3.071 4 H SER 113 HN SER 113 6.578 -8.441 -4.128 5 HB3 SER 113 HB1 SER 113 6.890 -11.544 -2.183 No H/Q in entry = 5 In of MODEL 18 1 HA LEU 114 HA LEU 114 2.562 -9.887 -2.234 2 HB2 LEU 114 HB2 LEU 114 3.195 -7.404 -2.435 3 HG LEU 114 HG LEU 114 0.332 -8.297 -2.266 4 HD12 LEU 114 HD11 LEU 114 0.610 -7.563 0.078 5 HD11 LEU 114 HD12 LEU 114 2.294 -7.170 -0.269 6 HD13 LEU 114 HD13 LEU 114 1.740 -8.841 -0.374 7 HD22 LEU 114 HD21 LEU 114 -0.311 -6.057 -1.648 8 HD21 LEU 114 HD22 LEU 114 0.388 -6.049 -3.267 9 HD23 LEU 114 HD23 LEU 114 1.339 -5.488 -1.897 10 H LEU 114 HN LEU 114 4.489 -8.657 -3.972 11 HB3 LEU 114 HB1 LEU 114 2.161 -7.383 -3.850 No H/Q in entry = 11 In of MODEL 18 1 HA ASP 115 HA ASP 115 0.190 -11.736 -5.354 2 HB2 ASP 115 HB2 ASP 115 -0.681 -12.663 -3.146 3 H ASP 115 HN ASP 115 0.509 -10.586 -2.765 4 HB3 ASP 115 HB1 ASP 115 -1.956 -11.453 -3.251 No H/Q in entry = 4 In of MODEL 18 1 HA PRO 116 HA PRO 116 -1.489 -8.206 -7.388 2 HB2 PRO 116 HB2 PRO 116 -2.660 -9.488 -9.497 3 HG2 PRO 116 HG2 PRO 116 -2.489 -11.664 -8.700 4 HD2 PRO 116 HD2 PRO 116 -1.009 -12.245 -7.008 5 HB3 PRO 116 HB1 PRO 116 -0.920 -9.201 -9.368 6 HG3 PRO 116 HG1 PRO 116 -0.958 -11.523 -9.586 7 HD3 PRO 116 HD1 PRO 116 0.279 -11.202 -7.646 No H/Q in entry = 7 In of MODEL 18 1 HA SER 117 HA SER 117 -5.998 -9.847 -6.997 2 HB2 SER 117 HB2 SER 117 -5.617 -12.110 -6.073 3 HG SER 117 HG SER 117 -7.532 -10.391 -4.969 4 H SER 117 HN SER 117 -3.471 -10.798 -6.218 5 HB3 SER 117 HB1 SER 117 -5.294 -11.398 -4.492 No H/Q in entry = 5 In of MODEL 18 1 HA PHE 118 HA PHE 118 -5.796 -7.048 -3.366 2 HB2 PHE 118 HB2 PHE 118 -2.817 -7.196 -2.845 3 HD1 PHE 118 HD1 PHE 118 -5.308 -7.462 -0.252 4 HD2 PHE 118 HD2 PHE 118 -2.840 -9.663 -2.921 5 HE1 PHE 118 HE1 PHE 118 -5.643 -9.479 1.109 6 HE2 PHE 118 HE2 PHE 118 -3.174 -11.685 -1.575 7 HZ PHE 118 HZ PHE 118 -4.579 -11.598 0.451 8 H PHE 118 HN PHE 118 -3.765 -8.699 -4.663 9 HB3 PHE 118 HB1 PHE 118 -4.001 -6.337 -1.866 No H/Q in entry = 9 In of MODEL 18 1 HA THR 119 HA THR 119 -4.535 -4.646 -6.952 2 HB THR 119 HB THR 119 -7.335 -3.794 -6.220 3 HG1 THR 119 HG1 THR 119 -6.212 -5.657 -8.002 4 HG21 THR 119 HG21 THR 119 -6.122 -1.964 -7.297 5 HG23 THR 119 HG22 THR 119 -7.357 -2.623 -8.373 6 HG22 THR 119 HG23 THR 119 -5.660 -3.039 -8.616 7 H THR 119 HN THR 119 -6.336 -5.821 -5.184 No H/Q in entry = 7 In of MODEL 18 1 HA HIS 120 HA HIS 120 -5.021 -0.653 -4.553 2 HB2 HIS 120 HB2 HIS 120 -6.315 -1.800 -2.083 3 HD1 HIS 120 HD1 HIS 120 -7.093 0.541 -5.000 4 HD2 HIS 120 HD2 HIS 120 -8.906 -2.256 -2.528 5 HE1 HIS 120 HE1 HIS 120 -9.447 0.320 -5.852 6 HE2 HIS 120 HE2 HIS 120 -10.446 -1.556 -4.492 7 H HIS 120 HN HIS 120 -6.143 -3.239 -4.107 8 HB3 HIS 120 HB1 HIS 120 -5.983 -0.095 -2.367 No H/Q in entry = 8 In of MODEL 18 1 HA ALA 121 HA ALA 121 -2.108 -2.176 -1.000 2 HB3 ALA 121 HB1 ALA 121 -1.433 -4.397 -0.457 3 HB2 ALA 121 HB2 ALA 121 -2.281 -5.053 -1.856 4 HB1 ALA 121 HB3 ALA 121 -3.196 -4.379 -0.509 5 H ALA 121 HN ALA 121 -4.256 -3.335 -2.371 No H/Q in entry = 5 In of MODEL 18 1 HA MET 122 HA MET 122 0.521 -3.761 -4.619 2 HB2 MET 122 HB2 MET 122 -1.955 -4.317 -6.207 3 HG2 MET 122 HG2 MET 122 -0.598 -5.994 -4.728 4 HE1 MET 122 HE1 MET 122 2.000 -5.270 -4.508 5 HE3 MET 122 HE2 MET 122 1.883 -4.193 -5.899 6 HE2 MET 122 HE3 MET 122 3.160 -5.407 -5.829 7 H MET 122 HN MET 122 -2.264 -3.841 -4.061 8 HB3 MET 122 HB1 MET 122 -0.414 -4.138 -7.037 9 HG3 MET 122 HG1 MET 122 -1.313 -6.477 -6.262 No H/Q in entry = 9 In of MODEL 18 1 HA GLN 123 HA GLN 123 -0.782 0.032 -7.118 2 HB2 GLN 123 HB2 GLN 123 -3.130 0.079 -7.383 3 HG2 GLN 123 HG2 GLN 123 -2.372 2.497 -5.789 4 HE21 GLN 123 HE21 GLN 123 -3.822 4.228 -5.725 5 HE22 GLN 123 HE22 GLN 123 -5.527 3.993 -5.864 6 H GLN 123 HN GLN 123 -2.211 -1.695 -5.388 7 HB3 GLN 123 HB1 GLN 123 -3.411 0.171 -5.651 8 HG3 GLN 123 HG1 GLN 123 -2.581 2.347 -7.528 No H/Q in entry = 8 In of MODEL 18 1 HA LEU 124 HA LEU 124 -0.408 2.806 -3.441 2 HB2 LEU 124 HB2 LEU 124 -0.882 0.700 -1.324 3 HG LEU 124 HG LEU 124 -2.901 1.686 -2.551 4 HD11 LEU 124 HD11 LEU 124 -2.644 2.066 0.434 5 HD13 LEU 124 HD12 LEU 124 -3.110 0.581 -0.397 6 HD12 LEU 124 HD13 LEU 124 -4.162 1.996 -0.460 7 HD21 LEU 124 HD21 LEU 124 -2.051 4.127 -0.993 8 HD23 LEU 124 HD22 LEU 124 -3.586 3.925 -1.836 9 HD22 LEU 124 HD23 LEU 124 -2.078 3.966 -2.749 10 H LEU 124 HN LEU 124 -1.536 0.256 -3.667 11 HB3 LEU 124 HB1 LEU 124 -0.426 2.359 -0.968 No H/Q in entry = 11 In of MODEL 18 1 HA LEU 125 HA LEU 125 3.555 0.355 -2.239 2 HB2 LEU 125 HB2 LEU 125 2.458 -1.977 -3.777 3 HG LEU 125 HG LEU 125 2.349 -1.997 -1.255 4 HD11 LEU 125 HD11 LEU 125 2.261 -4.009 -2.669 5 HD13 LEU 125 HD12 LEU 125 3.063 -4.310 -1.130 6 HD12 LEU 125 HD13 LEU 125 4.020 -4.119 -2.594 7 HD21 LEU 125 HD21 LEU 125 4.525 -0.911 -0.858 8 HD23 LEU 125 HD22 LEU 125 5.339 -2.314 -1.558 9 HD22 LEU 125 HD23 LEU 125 4.414 -2.482 -0.063 10 H LEU 125 HN LEU 125 0.974 -0.394 -3.210 11 HB3 LEU 125 HB1 LEU 125 4.188 -1.774 -3.634 No H/Q in entry = 11 In of MODEL 18 1 HA THR 126 HA THR 126 4.417 0.560 -6.857 2 HB THR 126 HB THR 126 1.530 1.008 -7.642 3 HG1 THR 126 HG1 THR 126 1.893 -1.148 -7.294 4 HG21 THR 126 HG21 THR 126 4.002 0.951 -9.374 5 HG23 THR 126 HG22 THR 126 2.932 2.330 -9.105 6 HG22 THR 126 HG23 THR 126 2.344 0.913 -9.978 7 H THR 126 HN THR 126 2.027 0.194 -5.386 No H/Q in entry = 7 In of MODEL 18 1 HA ALA 127 HA ALA 127 2.689 5.048 -7.086 2 HB3 ALA 127 HB1 ALA 127 1.086 4.779 -4.554 3 HB1 ALA 127 HB2 ALA 127 0.447 4.739 -6.198 4 HB2 ALA 127 HB3 ALA 127 1.186 6.214 -5.575 5 H ALA 127 HN ALA 127 1.809 2.721 -5.830 No H/Q in entry = 5 In of MODEL 18 1 HA GLU 128 HA GLU 128 4.727 6.093 -2.886 2 HB2 GLU 128 HB2 GLU 128 3.868 4.206 -1.462 3 HG2 GLU 128 HG2 GLU 128 5.757 4.186 0.129 4 H GLU 128 HN GLU 128 3.287 3.874 -3.771 5 HB3 GLU 128 HB1 GLU 128 5.240 3.255 -2.007 6 HG3 GLU 128 HG1 GLU 128 6.750 4.978 -1.087 No H/Q in entry = 6 In of MODEL 18 1 HA ILE 129 HA ILE 129 8.521 3.709 -4.503 2 HB ILE 129 HB ILE 129 6.901 2.201 -6.557 3 HD12 ILE 129 HD11 ILE 129 8.560 -0.369 -6.072 4 HD11 ILE 129 HD12 ILE 129 6.796 -0.279 -6.049 5 HD13 ILE 129 HD13 ILE 129 7.665 -0.909 -4.649 6 H ILE 129 HN ILE 129 5.770 3.193 -4.575 No H/Q in entry = 6 In of MODEL 18 1 HA GLU 130 HA GLU 130 7.606 5.962 -8.707 2 HB2 GLU 130 HB2 GLU 130 4.817 6.653 -7.776 3 HG2 GLU 130 HG2 GLU 130 5.762 4.971 -10.084 4 H GLU 130 HN GLU 130 6.007 4.694 -6.788 5 HB3 GLU 130 HB1 GLU 130 5.574 7.283 -9.232 6 HG3 GLU 130 HG1 GLU 130 4.895 4.410 -8.655 No H/Q in entry = 6 In of MODEL 18 1 HA LYS 131 HA LYS 131 6.961 9.812 -5.873 2 HB2 LYS 131 HB2 LYS 131 6.610 8.062 -3.437 3 HG2 LYS 131 HG2 LYS 131 4.701 10.112 -4.519 4 HD2 LYS 131 HD2 LYS 131 3.111 8.982 -3.069 5 HE2 LYS 131 HE2 LYS 131 5.684 9.818 -1.752 6 HZ1 LYS 131 HZ1 LYS 131 3.053 9.286 -0.489 7 HZ3 LYS 131 HZ2 LYS 131 4.354 10.055 0.271 8 HZ2 LYS 131 HZ3 LYS 131 4.493 8.431 -0.209 9 H LYS 131 HN LYS 131 6.265 7.100 -5.662 10 HB3 LYS 131 HB1 LYS 131 6.760 9.813 -3.386 11 HG3 LYS 131 HG1 LYS 131 4.601 8.397 -4.929 12 HD3 LYS 131 HD1 LYS 131 4.355 7.832 -2.577 13 HE3 LYS 131 HE1 LYS 131 4.229 10.784 -2.004 No H/Q in entry = 13 In of MODEL 18 1 HA ILE 132 HA ILE 132 10.989 8.673 -3.744 2 HB ILE 132 HB ILE 132 11.053 5.704 -4.180 3 HD13 ILE 132 HD11 ILE 132 10.429 4.250 -2.085 4 HD12 ILE 132 HD12 ILE 132 9.649 5.059 -0.727 5 HD11 ILE 132 HD13 ILE 132 11.366 5.318 -1.040 6 H ILE 132 HN ILE 132 8.726 7.070 -4.441 No H/Q in entry = 6 In of MODEL 18 1 HA GLN 133 HA GLN 133 12.633 6.490 -7.769 2 HB2 GLN 133 HB2 GLN 133 9.833 6.406 -8.881 3 HG2 GLN 133 HG2 GLN 133 10.641 4.502 -7.445 4 HE21 GLN 133 HE21 GLN 133 12.795 4.293 -6.941 5 HE22 GLN 133 HE22 GLN 133 13.906 3.414 -7.941 6 H GLN 133 HN GLN 133 10.157 6.590 -6.476 7 HB3 GLN 133 HB1 GLN 133 11.261 6.153 -9.873 8 HG3 GLN 133 HG1 GLN 133 10.080 4.088 -9.060 No H/Q in entry = 8 In of MODEL 18 1 HA LYS 134 HA LYS 134 11.199 10.379 -10.107 2 HB2 LYS 134 HB2 LYS 134 9.630 12.146 -9.512 3 HG2 LYS 134 HG2 LYS 134 8.867 10.544 -7.091 4 HD2 LYS 134 HD2 LYS 134 8.204 13.356 -7.947 5 HE2 LYS 134 HE2 LYS 134 6.789 13.443 -6.015 6 HZ2 LYS 134 HZ1 LYS 134 8.380 13.320 -4.234 7 HZ1 LYS 134 HZ2 LYS 134 9.150 13.937 -5.612 8 HZ3 LYS 134 HZ3 LYS 134 9.406 12.328 -5.149 9 H LYS 134 HN LYS 134 10.073 8.909 -7.956 10 HB3 LYS 134 HB1 LYS 134 8.824 10.581 -9.455 11 HG3 LYS 134 HG1 LYS 134 9.961 11.923 -7.023 12 HD3 LYS 134 HD1 LYS 134 7.111 11.970 -8.009 13 HE3 LYS 134 HE1 LYS 134 7.128 11.755 -5.629 No H/Q in entry = 13 In of MODEL 18 1 HA3 GLY 135 HA2 GLY 135 13.649 11.305 -5.617 2 H GLY 135 HN GLY 135 11.855 10.281 -6.718 3 HA2 GLY 135 HA1 GLY 135 13.871 12.360 -7.009 No H/Q in entry = 3 In of MODEL 19 1 H1 GLY 95 HT2 GLY 95 -9.270 5.736 -9.238 2 H2 GLY 95 HT1 GLY 95 -8.712 5.204 -7.729 3 H3 GLY 95 HT3 GLY 95 -7.992 4.625 -9.153 4 HA3 GLY 95 HA1 GLY 95 -9.452 2.948 -8.225 5 HA2 GLY 95 HA2 GLY 95 -10.778 4.103 -8.264 No H/Q in entry = 5 In of MODEL 19 1 HA ALA 96 HA ALA 96 -10.106 2.373 -12.503 2 HB3 ALA 96 HB1 ALA 96 -9.582 0.077 -13.122 3 HB1 ALA 96 HB2 ALA 96 -9.627 -0.403 -11.425 4 HB2 ALA 96 HB3 ALA 96 -8.382 0.710 -11.995 5 H ALA 96 HN ALA 96 -9.794 1.458 -9.749 No H/Q in entry = 5 In of MODEL 19 1 HA MET 97 HA MET 97 -14.224 0.655 -11.681 2 HB2 MET 97 HB2 MET 97 -13.156 -1.969 -10.653 3 HG2 MET 97 HG2 MET 97 -14.083 -2.727 -12.919 4 HE1 MET 97 HE1 MET 97 -12.491 -1.541 -15.409 5 HE3 MET 97 HE2 MET 97 -12.507 -3.254 -14.988 6 HE2 MET 97 HE3 MET 97 -10.973 -2.433 -15.284 7 H MET 97 HN MET 97 -11.736 0.273 -10.162 8 HB3 MET 97 HB1 MET 97 -14.859 -1.724 -10.997 9 HG3 MET 97 HG1 MET 97 -14.066 -1.016 -13.336 No H/Q in entry = 9 In of MODEL 19 1 HA GLU 98 HA GLU 98 -14.671 0.145 -6.979 2 HB2 GLU 98 HB2 GLU 98 -12.374 1.964 -6.301 3 HG2 GLU 98 HG2 GLU 98 -11.245 -0.266 -5.581 4 H GLU 98 HN GLU 98 -12.573 0.800 -8.804 5 HB3 GLU 98 HB1 GLU 98 -13.220 0.830 -5.260 6 HG3 GLU 98 HG1 GLU 98 -12.216 -0.953 -6.882 No H/Q in entry = 6 In of MODEL 19 1 HA PRO 99 HA PRO 99 -16.701 4.114 -7.198 2 HB2 PRO 99 HB2 PRO 99 -18.491 3.581 -5.160 3 HG2 PRO 99 HG2 PRO 99 -18.211 1.419 -4.632 4 HD2 PRO 99 HD2 PRO 99 -16.133 0.716 -5.143 5 HB3 PRO 99 HB1 PRO 99 -18.738 3.197 -6.863 6 HG3 PRO 99 HG1 PRO 99 -18.751 1.026 -6.267 7 HD3 PRO 99 HD1 PRO 99 -16.682 0.322 -6.777 No H/Q in entry = 7 In of MODEL 19 1 HA GLU 100 HA GLU 100 -14.910 6.619 -4.657 2 HB2 GLU 100 HB2 GLU 100 -16.708 8.038 -5.547 3 HG2 GLU 100 HG2 GLU 100 -15.905 9.017 -2.827 4 H GLU 100 HN GLU 100 -17.480 5.707 -5.384 5 HB3 GLU 100 HB1 GLU 100 -17.586 7.840 -4.038 6 HG3 GLU 100 HG1 GLU 100 -14.842 9.049 -4.234 No H/Q in entry = 6 In of MODEL 19 1 HA ASN 101 HA ASN 101 -16.181 6.126 -0.245 2 HB2 ASN 101 HB2 ASN 101 -18.676 6.598 -0.506 3 HD21 ASN 101 HD21 ASN 101 -16.830 4.385 1.531 4 HD22 ASN 101 HD22 ASN 101 -17.515 4.923 3.027 5 H ASN 101 HN ASN 101 -17.680 5.598 -2.684 6 HB3 ASN 101 HB1 ASN 101 -18.917 4.859 -0.495 No H/Q in entry = 6 In of MODEL 19 1 HA LYS 102 HA LYS 102 -16.877 1.352 -0.323 2 HB2 LYS 102 HB2 LYS 102 -18.411 1.251 -2.321 3 HG2 LYS 102 HG2 LYS 102 -16.329 -0.921 -2.278 4 HD2 LYS 102 HD2 LYS 102 -19.252 -0.881 -3.001 5 HE2 LYS 102 HE2 LYS 102 -18.559 -2.879 -1.667 6 HZ2 LYS 102 HZ1 LYS 102 -16.290 -3.135 -2.439 7 HZ1 LYS 102 HZ2 LYS 102 -16.830 -3.415 -4.023 8 HZ3 LYS 102 HZ3 LYS 102 -17.190 -4.528 -2.798 9 H LYS 102 HN LYS 102 -17.635 3.430 -1.987 10 HB3 LYS 102 HB1 LYS 102 -16.968 1.140 -3.322 11 HG3 LYS 102 HG1 LYS 102 -17.640 -0.780 -1.107 12 HD3 LYS 102 HD1 LYS 102 -17.891 -1.205 -4.078 13 HE3 LYS 102 HE1 LYS 102 -19.145 -3.234 -3.291 No H/Q in entry = 13 In of MODEL 19 1 HA TYR 103 HA TYR 103 -12.620 1.688 -2.599 2 HB2 TYR 103 HB2 TYR 103 -12.774 4.023 -3.355 3 HD1 TYR 103 HD1 TYR 103 -10.708 5.409 -0.957 4 HD2 TYR 103 HD2 TYR 103 -10.672 2.426 -3.985 5 HE1 TYR 103 HE1 TYR 103 -8.261 5.588 -1.085 6 HE2 TYR 103 HE2 TYR 103 -8.221 2.591 -4.126 7 HH TYR 103 HH TYR 103 -6.358 4.242 -1.799 8 H TYR 103 HN TYR 103 -14.796 3.349 -2.093 9 HB3 TYR 103 HB1 TYR 103 -12.706 4.574 -1.687 No H/Q in entry = 9 In of MODEL 19 1 HA LEU 104 HA LEU 104 -11.563 2.644 1.985 2 HB2 LEU 104 HB2 LEU 104 -13.293 4.245 2.560 3 HG LEU 104 HG LEU 104 -13.298 2.084 4.671 4 HD12 LEU 104 HD11 LEU 104 -11.458 3.350 5.674 5 HD11 LEU 104 HD12 LEU 104 -11.453 4.443 4.288 6 HD13 LEU 104 HD13 LEU 104 -11.027 2.742 4.074 7 HD23 LEU 104 HD21 LEU 104 -13.776 3.979 6.180 8 HD22 LEU 104 HD22 LEU 104 -15.057 3.714 4.997 9 HD21 LEU 104 HD23 LEU 104 -13.910 5.035 4.773 10 H LEU 104 HN LEU 104 -13.851 3.049 0.369 11 HB3 LEU 104 HB1 LEU 104 -14.475 2.961 2.711 No H/Q in entry = 11 In of MODEL 19 1 HA PRO 105 HA PRO 105 -13.799 -1.392 3.576 2 HB2 PRO 105 HB2 PRO 105 -15.599 -2.496 1.808 3 HG2 PRO 105 HG2 PRO 105 -15.631 -0.719 0.313 4 HD2 PRO 105 HD2 PRO 105 -15.017 1.453 0.939 5 HB3 PRO 105 HB1 PRO 105 -16.056 -1.479 3.182 6 HG3 PRO 105 HG1 PRO 105 -16.972 -0.272 1.394 7 HD3 PRO 105 HD1 PRO 105 -15.654 1.256 2.587 No H/Q in entry = 7 In of MODEL 19 1 HA GLU 106 HA GLU 106 -12.285 -3.444 -0.503 2 HB2 GLU 106 HB2 GLU 106 -11.404 -0.773 -1.591 3 HG2 GLU 106 HG2 GLU 106 -13.730 -1.014 -2.029 4 H GLU 106 HN GLU 106 -13.210 -0.872 0.127 5 HB3 GLU 106 HB1 GLU 106 -11.043 -2.330 -2.314 6 HG3 GLU 106 HG1 GLU 106 -12.845 -1.345 -3.517 No H/Q in entry = 6 In of MODEL 19 1 HA LEU 107 HA LEU 107 -8.030 -1.611 0.793 2 HB2 LEU 107 HB2 LEU 107 -9.321 0.541 2.467 3 HG LEU 107 HG LEU 107 -9.182 1.013 -0.026 4 HD13 LEU 107 HD11 LEU 107 -8.333 3.265 0.330 5 HD12 LEU 107 HD12 LEU 107 -7.602 2.762 1.854 6 HD11 LEU 107 HD13 LEU 107 -9.356 2.760 1.675 7 HD23 LEU 107 HD21 LEU 107 -6.974 1.610 -0.888 8 HD22 LEU 107 HD22 LEU 107 -7.047 -0.095 -0.447 9 HD21 LEU 107 HD23 LEU 107 -6.234 1.055 0.613 10 H LEU 107 HN LEU 107 -10.673 -0.584 0.770 11 HB3 LEU 107 HB1 LEU 107 -7.601 0.215 2.414 No H/Q in entry = 11 In of MODEL 19 1 HA MET 108 HA MET 108 -9.064 -2.576 5.386 2 HB2 MET 108 HB2 MET 108 -11.072 -2.779 6.581 3 HG2 MET 108 HG2 MET 108 -12.610 -2.389 4.031 4 HE3 MET 108 HE1 MET 108 -12.716 -0.268 6.469 5 HE2 MET 108 HE2 MET 108 -14.461 -0.055 6.615 6 HE1 MET 108 HE3 MET 108 -13.715 -0.146 5.021 7 H MET 108 HN MET 108 -10.581 -1.450 3.260 8 HB3 MET 108 HB1 MET 108 -11.167 -1.290 5.657 9 HG3 MET 108 HG1 MET 108 -12.502 -3.892 4.946 No H/Q in entry = 9 In of MODEL 19 1 HA ALA 109 HA ALA 109 -10.961 -6.660 3.965 2 HB3 ALA 109 HB1 ALA 109 -11.703 -7.427 1.736 3 HB2 ALA 109 HB2 ALA 109 -11.397 -5.811 1.095 4 HB1 ALA 109 HB3 ALA 109 -12.645 -6.054 2.317 5 H ALA 109 HN ALA 109 -11.024 -4.056 2.839 No H/Q in entry = 5 In of MODEL 19 1 HA GLU 110 HA GLU 110 -7.265 -7.328 1.071 2 HB2 GLU 110 HB2 GLU 110 -6.813 -4.374 0.613 3 HG2 GLU 110 HG2 GLU 110 -7.407 -6.623 -1.296 4 H GLU 110 HN GLU 110 -8.966 -5.074 1.503 5 HB3 GLU 110 HB1 GLU 110 -5.662 -5.618 0.146 6 HG3 GLU 110 HG1 GLU 110 -8.459 -5.265 -0.895 No H/Q in entry = 6 In of MODEL 19 1 HA LYS 111 HA LYS 111 -4.702 -4.917 4.351 2 HB2 LYS 111 HB2 LYS 111 -5.740 -2.876 4.819 3 HG2 LYS 111 HG2 LYS 111 -6.213 -4.416 7.355 4 HD2 LYS 111 HD2 LYS 111 -5.593 -1.501 6.897 5 HE2 LYS 111 HE2 LYS 111 -6.193 -1.265 9.265 6 HZ2 LYS 111 HZ1 LYS 111 -4.200 -2.145 10.194 7 HZ1 LYS 111 HZ2 LYS 111 -3.839 -1.619 8.624 8 HZ3 LYS 111 HZ3 LYS 111 -4.028 -3.275 8.940 9 H LYS 111 HN LYS 111 -7.224 -4.544 3.198 10 HB3 LYS 111 HB1 LYS 111 -7.243 -3.640 5.307 11 HG3 LYS 111 HG1 LYS 111 -4.662 -3.731 6.858 12 HD3 LYS 111 HD1 LYS 111 -7.196 -2.144 7.254 13 HE3 LYS 111 HE1 LYS 111 -6.351 -3.015 9.388 No H/Q in entry = 13 In of MODEL 19 1 HA ASP 112 HA ASP 112 -6.895 -7.660 7.565 2 HB2 ASP 112 HB2 ASP 112 -9.242 -7.081 7.344 3 H ASP 112 HN ASP 112 -7.858 -6.227 5.316 4 HB3 ASP 112 HB1 ASP 112 -9.376 -8.044 5.877 No H/Q in entry = 4 In of MODEL 19 1 HA SER 113 HA SER 113 -6.672 -11.262 4.664 2 HB2 SER 113 HB2 SER 113 -7.086 -9.767 2.072 3 HG SER 113 HG SER 113 -8.942 -9.613 3.277 4 H SER 113 HN SER 113 -7.004 -8.406 4.164 5 HB3 SER 113 HB1 SER 113 -7.098 -11.516 2.267 No H/Q in entry = 5 In of MODEL 19 1 HA LEU 114 HA LEU 114 -2.822 -9.836 2.291 2 HB2 LEU 114 HB2 LEU 114 -3.381 -7.349 2.527 3 HG LEU 114 HG LEU 114 -0.529 -8.305 2.373 4 HD12 LEU 114 HD11 LEU 114 -0.773 -7.626 0.025 5 HD11 LEU 114 HD12 LEU 114 -2.442 -7.153 0.341 6 HD13 LEU 114 HD13 LEU 114 -1.961 -8.845 0.488 7 HD23 LEU 114 HD21 LEU 114 -1.490 -5.482 1.980 8 HD22 LEU 114 HD22 LEU 114 0.153 -6.081 1.746 9 HD21 LEU 114 HD23 LEU 114 -0.556 -6.052 3.360 10 H LEU 114 HN LEU 114 -4.730 -8.574 4.011 11 HB3 LEU 114 HB1 LEU 114 -2.348 -7.373 3.945 No H/Q in entry = 11 In of MODEL 19 1 HA ASP 115 HA ASP 115 -0.482 -11.842 5.310 2 HB2 ASP 115 HB2 ASP 115 0.327 -12.733 3.085 3 H ASP 115 HN ASP 115 -0.794 -10.584 2.777 4 HB3 ASP 115 HB1 ASP 115 1.606 -11.525 3.145 No H/Q in entry = 4 In of MODEL 19 1 HA PRO 116 HA PRO 116 1.336 -8.460 7.495 2 HB2 PRO 116 HB2 PRO 116 2.461 -9.878 9.533 3 HG2 PRO 116 HG2 PRO 116 2.227 -12.008 8.624 4 HD2 PRO 116 HD2 PRO 116 0.716 -12.466 6.921 5 HB3 PRO 116 HB1 PRO 116 0.731 -9.536 9.421 6 HG3 PRO 116 HG1 PRO 116 0.709 -11.868 9.534 7 HD3 PRO 116 HD1 PRO 116 -0.536 -11.417 7.620 No H/Q in entry = 7 In of MODEL 19 1 HA SER 117 HA SER 117 5.787 -10.222 6.990 2 HB2 SER 117 HB2 SER 117 5.314 -12.417 5.951 3 HG SER 117 HG SER 117 7.346 -10.753 5.236 4 H SER 117 HN SER 117 3.225 -11.063 6.204 5 HB3 SER 117 HB1 SER 117 5.011 -11.608 4.414 No H/Q in entry = 5 In of MODEL 19 1 HA PHE 118 HA PHE 118 5.629 -7.245 3.463 2 HB2 PHE 118 HB2 PHE 118 2.651 -7.331 2.945 3 HD1 PHE 118 HD1 PHE 118 2.625 -9.796 2.997 4 HD2 PHE 118 HD2 PHE 118 5.126 -7.611 0.343 5 HE1 PHE 118 HE1 PHE 118 2.908 -11.805 1.623 6 HE2 PHE 118 HE2 PHE 118 5.411 -9.616 -1.045 7 HZ PHE 118 HZ PHE 118 4.304 -11.723 -0.408 8 H PHE 118 HN PHE 118 3.565 -8.872 4.746 9 HB3 PHE 118 HB1 PHE 118 3.850 -6.484 1.974 No H/Q in entry = 9 In of MODEL 19 1 HA THR 119 HA THR 119 4.457 -4.725 7.012 2 HB THR 119 HB THR 119 7.255 -3.955 6.178 3 HG1 THR 119 HG1 THR 119 6.157 -5.767 8.004 4 HG21 THR 119 HG21 THR 119 5.631 -3.054 8.560 5 HG23 THR 119 HG22 THR 119 6.141 -2.051 7.200 6 HG22 THR 119 HG23 THR 119 7.345 -2.714 8.307 7 H THR 119 HN THR 119 6.200 -6.007 5.250 No H/Q in entry = 7 In of MODEL 19 1 HA HIS 120 HA HIS 120 5.036 -0.856 4.407 2 HB2 HIS 120 HB2 HIS 120 6.217 -2.227 1.997 3 HD1 HIS 120 HD1 HIS 120 7.102 0.502 4.501 4 HD2 HIS 120 HD2 HIS 120 8.781 -2.744 2.532 5 HE1 HIS 120 HE1 HIS 120 9.454 0.331 5.367 6 HE2 HIS 120 HE2 HIS 120 10.383 -1.755 4.309 7 H HIS 120 HN HIS 120 6.019 -3.513 4.059 8 HB3 HIS 120 HB1 HIS 120 5.906 -0.499 2.110 No H/Q in entry = 8 In of MODEL 19 1 HA ALA 121 HA ALA 121 1.958 -2.312 1.010 2 HB2 ALA 121 HB1 ALA 121 2.008 -5.195 1.868 3 HB3 ALA 121 HB2 ALA 121 2.928 -4.566 0.505 4 HB1 ALA 121 HB3 ALA 121 1.165 -4.495 0.483 5 H ALA 121 HN ALA 121 4.086 -3.562 2.324 No H/Q in entry = 5 In of MODEL 19 1 HA MET 122 HA MET 122 -0.638 -3.729 4.700 2 HB2 MET 122 HB2 MET 122 1.830 -4.361 6.264 3 HG2 MET 122 HG2 MET 122 0.421 -6.021 4.839 4 HE3 MET 122 HE1 MET 122 -2.084 -4.131 5.775 5 HE2 MET 122 HE2 MET 122 -3.351 -5.355 5.706 6 HE1 MET 122 HE3 MET 122 -2.107 -5.305 4.458 7 H MET 122 HN MET 122 2.125 -3.941 4.094 8 HB3 MET 122 HB1 MET 122 0.310 -4.103 7.108 9 HG3 MET 122 HG1 MET 122 1.079 -6.493 6.402 No H/Q in entry = 9 In of MODEL 19 1 HA GLN 123 HA GLN 123 0.756 0.022 7.157 2 HB2 GLN 123 HB2 GLN 123 2.715 1.331 7.266 3 HG2 GLN 123 HG2 GLN 123 3.470 0.392 4.528 4 HE21 GLN 123 HE21 GLN 123 4.448 1.959 7.489 5 HE22 GLN 123 HE22 GLN 123 6.095 2.209 7.032 6 H GLN 123 HN GLN 123 2.174 -1.688 5.388 7 HB3 GLN 123 HB1 GLN 123 3.345 -0.257 6.881 8 HG3 GLN 123 HG1 GLN 123 2.927 2.010 4.967 No H/Q in entry = 8 In of MODEL 19 1 HA LEU 124 HA LEU 124 0.437 2.774 3.467 2 HB2 LEU 124 HB2 LEU 124 0.928 0.600 1.447 3 HG LEU 124 HG LEU 124 2.882 1.622 2.775 4 HD13 LEU 124 HD11 LEU 124 3.183 0.309 0.764 5 HD12 LEU 124 HD12 LEU 124 4.306 1.668 0.797 6 HD11 LEU 124 HD13 LEU 124 2.877 1.731 -0.237 7 HD23 LEU 124 HD21 LEU 124 2.259 3.923 0.925 8 HD22 LEU 124 HD22 LEU 124 3.697 3.764 1.933 9 HD21 LEU 124 HD23 LEU 124 2.109 3.937 2.681 10 H LEU 124 HN LEU 124 1.453 0.186 3.732 11 HB3 LEU 124 HB1 LEU 124 0.533 2.256 1.003 No H/Q in entry = 11 In of MODEL 19 1 HA LEU 125 HA LEU 125 -3.596 0.402 2.229 2 HB2 LEU 125 HB2 LEU 125 -2.543 -1.900 3.838 3 HG LEU 125 HG LEU 125 -2.487 -2.046 1.333 4 HD12 LEU 125 HD11 LEU 125 -3.410 -4.335 1.325 5 HD11 LEU 125 HD12 LEU 125 -4.176 -4.014 2.876 6 HD13 LEU 125 HD13 LEU 125 -2.417 -4.014 2.744 7 HD22 LEU 125 HD21 LEU 125 -4.592 -2.490 0.184 8 HD21 LEU 125 HD22 LEU 125 -4.606 -0.878 0.902 9 HD23 LEU 125 HD23 LEU 125 -5.484 -2.196 1.679 10 H LEU 125 HN LEU 125 -1.036 -0.392 3.197 11 HB3 LEU 125 HB1 LEU 125 -4.270 -1.660 3.731 No H/Q in entry = 11 In of MODEL 19 1 HA THR 126 HA THR 126 -4.457 0.783 6.824 2 HB THR 126 HB THR 126 -1.554 1.121 7.599 3 HG1 THR 126 HG1 THR 126 -1.873 -1.006 7.453 4 HG23 THR 126 HG21 THR 126 -2.914 2.562 9.011 5 HG22 THR 126 HG22 THR 126 -2.342 1.171 9.935 6 HG21 THR 126 HG23 THR 126 -4.010 1.223 9.360 7 H THR 126 HN THR 126 -2.074 0.313 5.367 No H/Q in entry = 7 In of MODEL 19 1 HA ALA 127 HA ALA 127 -2.560 5.208 6.912 2 HB1 ALA 127 HB1 ALA 127 -0.357 4.767 5.960 3 HB2 ALA 127 HB2 ALA 127 -1.046 6.275 5.358 4 HB3 ALA 127 HB3 ALA 127 -1.048 4.836 4.339 5 H ALA 127 HN ALA 127 -1.793 2.822 5.707 No H/Q in entry = 5 In of MODEL 19 1 HA GLU 128 HA GLU 128 -4.711 6.228 2.781 2 HB2 GLU 128 HB2 GLU 128 -3.925 4.395 1.286 3 HG2 GLU 128 HG2 GLU 128 -5.822 4.373 -0.240 4 H GLU 128 HN GLU 128 -3.299 3.966 3.644 5 HB3 GLU 128 HB1 GLU 128 -5.227 3.389 1.896 6 HG3 GLU 128 HG1 GLU 128 -6.867 4.970 1.041 No H/Q in entry = 6 In of MODEL 19 1 HA ILE 129 HA ILE 129 -8.503 3.883 4.478 2 HB ILE 129 HB ILE 129 -6.807 2.395 6.477 3 HD11 ILE 129 HD11 ILE 129 -6.719 -0.083 5.967 4 HD13 ILE 129 HD12 ILE 129 -7.735 -0.733 4.678 5 HD12 ILE 129 HD13 ILE 129 -8.468 -0.172 6.183 6 H ILE 129 HN ILE 129 -5.765 3.338 4.475 No H/Q in entry = 6 In of MODEL 19 1 HA GLU 130 HA GLU 130 -7.468 6.294 8.550 2 HB2 GLU 130 HB2 GLU 130 -4.658 6.713 7.553 3 HG2 GLU 130 HG2 GLU 130 -5.788 5.543 10.071 4 H GLU 130 HN GLU 130 -5.930 4.869 6.696 5 HB3 GLU 130 HB1 GLU 130 -5.370 7.703 8.816 6 HG3 GLU 130 HG1 GLU 130 -4.731 4.776 8.884 No H/Q in entry = 6 In of MODEL 19 1 HA LYS 131 HA LYS 131 -6.581 10.004 5.603 2 HB2 LYS 131 HB2 LYS 131 -6.397 8.176 3.207 3 HG2 LYS 131 HG2 LYS 131 -4.390 10.188 4.178 4 HD2 LYS 131 HD2 LYS 131 -2.838 8.728 2.875 5 HE2 LYS 131 HE2 LYS 131 -3.952 10.827 1.941 6 HZ3 LYS 131 HZ1 LYS 131 -5.309 10.232 -0.097 7 HZ2 LYS 131 HZ2 LYS 131 -6.103 10.171 1.396 8 HZ1 LYS 131 HZ3 LYS 131 -5.594 8.730 0.648 9 H LYS 131 HN LYS 131 -6.075 7.265 5.441 10 HB3 LYS 131 HB1 LYS 131 -6.470 9.931 3.090 11 HG3 LYS 131 HG1 LYS 131 -4.368 8.501 4.687 12 HD3 LYS 131 HD1 LYS 131 -4.243 7.859 2.274 13 HE3 LYS 131 HE1 LYS 131 -3.247 9.689 0.796 No H/Q in entry = 13 In of MODEL 19 1 HA ILE 132 HA ILE 132 -10.731 9.089 3.460 2 HB ILE 132 HB ILE 132 -10.945 6.180 4.226 3 HD13 ILE 132 HD11 ILE 132 -9.731 5.112 0.825 4 HD12 ILE 132 HD12 ILE 132 -11.429 5.482 1.133 5 HD11 ILE 132 HD13 ILE 132 -10.515 4.515 2.289 6 H ILE 132 HN ILE 132 -8.570 7.421 4.199 No H/Q in entry = 6 In of MODEL 19 1 HA GLN 133 HA GLN 133 -12.607 7.585 7.570 2 HB2 GLN 133 HB2 GLN 133 -9.965 6.684 8.692 3 HG2 GLN 133 HG2 GLN 133 -12.523 5.186 8.169 4 HE21 GLN 133 HE21 GLN 133 -12.512 3.015 8.721 5 HE22 GLN 133 HE22 GLN 133 -11.364 2.347 9.836 6 H GLN 133 HN GLN 133 -10.096 7.142 6.351 7 HB3 GLN 133 HB1 GLN 133 -11.424 6.789 9.661 8 HG3 GLN 133 HG1 GLN 133 -11.038 5.069 7.224 No H/Q in entry = 8 In of MODEL 19 1 HA LYS 134 HA LYS 134 -10.224 10.940 10.041 2 HB2 LYS 134 HB2 LYS 134 -8.465 11.701 7.705 3 HG2 LYS 134 HG2 LYS 134 -7.649 10.582 10.365 4 HD2 LYS 134 HD2 LYS 134 -6.198 11.679 7.989 5 HE2 LYS 134 HE2 LYS 134 -5.343 9.398 8.302 6 HZ1 LYS 134 HZ1 LYS 134 -5.824 9.160 10.686 7 HZ3 LYS 134 HZ2 LYS 134 -4.590 10.263 11.041 8 HZ2 LYS 134 HZ3 LYS 134 -4.217 8.776 10.306 9 H LYS 134 HN LYS 134 -9.570 9.375 7.762 10 HB3 LYS 134 HB1 LYS 134 -8.527 12.537 9.246 11 HG3 LYS 134 HG1 LYS 134 -7.640 9.703 8.833 12 HD3 LYS 134 HD1 LYS 134 -5.931 12.002 9.703 13 HE3 LYS 134 HE1 LYS 134 -4.147 10.622 8.715 No H/Q in entry = 13 In of MODEL 19 1 HA3 GLY 135 HA2 GLY 135 -11.699 13.897 6.685 2 H GLY 135 HN GLY 135 -11.186 11.102 6.745 3 HA2 GLY 135 HA1 GLY 135 -12.197 12.720 5.480 No H/Q in entry = 3 In of MODEL 19 1 H1 GLY 95 HT2 GLY 95 9.366 5.469 9.454 2 H2 GLY 95 HT1 GLY 95 8.806 4.964 7.934 3 H3 GLY 95 HT3 GLY 95 8.083 4.367 9.347 4 HA2 GLY 95 HA2 GLY 95 10.861 3.839 8.446 5 HA3 GLY 95 HA1 GLY 95 9.523 2.697 8.399 No H/Q in entry = 5 In of MODEL 19 1 HA ALA 96 HA ALA 96 10.172 2.074 12.670 2 HB2 ALA 96 HB1 ALA 96 9.606 -0.216 13.268 3 HB1 ALA 96 HB2 ALA 96 9.645 -0.684 11.567 4 HB3 ALA 96 HB3 ALA 96 8.418 0.444 12.144 5 H ALA 96 HN ALA 96 9.843 1.190 9.909 No H/Q in entry = 5 In of MODEL 19 1 HA MET 97 HA MET 97 14.263 0.291 11.810 2 HB2 MET 97 HB2 MET 97 13.132 -2.305 10.770 3 HG2 MET 97 HG2 MET 97 14.042 -3.105 13.024 4 HE2 MET 97 HE1 MET 97 12.488 -1.904 15.536 5 HE1 MET 97 HE2 MET 97 12.472 -3.611 15.090 6 HE3 MET 97 HE3 MET 97 10.955 -2.768 15.402 7 H MET 97 HN MET 97 11.758 -0.031 10.302 8 HB3 MET 97 HB1 MET 97 14.843 -2.100 11.110 9 HG3 MET 97 HG1 MET 97 14.076 -1.399 13.462 No H/Q in entry = 9 In of MODEL 19 1 HA GLU 98 HA GLU 98 14.677 -0.187 7.103 2 HB2 GLU 98 HB2 GLU 98 12.408 1.675 6.447 3 HG2 GLU 98 HG2 GLU 98 11.235 -0.526 5.718 4 H GLU 98 HN GLU 98 12.601 0.485 8.948 5 HB3 GLU 98 HB1 GLU 98 13.230 0.531 5.399 6 HG3 GLU 98 HG1 GLU 98 12.190 -1.243 7.016 No H/Q in entry = 6 In of MODEL 19 1 HA PRO 99 HA PRO 99 16.778 3.736 7.354 2 HB2 PRO 99 HB2 PRO 99 18.551 3.193 5.306 3 HG2 PRO 99 HG2 PRO 99 18.232 1.038 4.761 4 HD2 PRO 99 HD2 PRO 99 16.143 0.369 5.271 5 HB3 PRO 99 HB1 PRO 99 18.797 2.787 7.003 6 HG3 PRO 99 HG1 PRO 99 18.770 0.624 6.393 7 HD3 PRO 99 HD1 PRO 99 16.688 -0.049 6.900 No H/Q in entry = 7 In of MODEL 19 1 HA GLU 100 HA GLU 100 15.027 6.295 4.840 2 HB2 GLU 100 HB2 GLU 100 16.851 7.682 5.731 3 HG2 GLU 100 HG2 GLU 100 16.061 8.685 3.012 4 H GLU 100 HN GLU 100 17.581 5.328 5.550 5 HB3 GLU 100 HB1 GLU 100 17.723 7.473 4.221 6 HG3 GLU 100 HG1 GLU 100 15.008 8.744 4.428 No H/Q in entry = 6 In of MODEL 19 1 HA ASN 101 HA ASN 101 16.279 5.816 0.416 2 HB2 ASN 101 HB2 ASN 101 18.781 6.240 0.670 3 HD21 ASN 101 HD21 ASN 101 16.885 4.070 -1.378 4 HD22 ASN 101 HD22 ASN 101 17.571 4.613 -2.869 5 H ASN 101 HN ASN 101 17.775 5.251 2.848 6 HB3 ASN 101 HB1 ASN 101 18.989 4.496 0.649 No H/Q in entry = 6 In of MODEL 19 1 HA LYS 102 HA LYS 102 16.892 1.028 0.459 2 HB2 LYS 102 HB2 LYS 102 18.429 0.878 2.454 3 HG2 LYS 102 HG2 LYS 102 16.297 -1.244 2.396 4 HD2 LYS 102 HD2 LYS 102 19.223 -1.270 3.112 5 HE2 LYS 102 HE2 LYS 102 18.491 -3.243 1.756 6 HZ2 LYS 102 HZ1 LYS 102 16.219 -3.442 2.534 7 HZ1 LYS 102 HZ2 LYS 102 16.760 -3.773 4.110 8 HZ3 LYS 102 HZ3 LYS 102 17.081 -4.867 2.858 9 H LYS 102 HN LYS 102 17.686 3.082 2.139 10 HB3 LYS 102 HB1 LYS 102 16.984 0.788 3.455 11 HG3 LYS 102 HG1 LYS 102 17.605 -1.123 1.220 12 HD3 LYS 102 HD1 LYS 102 17.857 -1.582 4.186 13 HE3 LYS 102 HE1 LYS 102 19.068 -3.625 3.377 No H/Q in entry = 13 In of MODEL 19 1 HA TYR 103 HA TYR 103 12.647 1.428 2.754 2 HB2 TYR 103 HB2 TYR 103 12.850 3.756 3.520 3 HD1 TYR 103 HD1 TYR 103 10.795 5.194 1.145 4 HD2 TYR 103 HD2 TYR 103 10.715 2.188 4.154 5 HE1 TYR 103 HE1 TYR 103 8.353 5.415 1.280 6 HE2 TYR 103 HE2 TYR 103 8.265 2.401 4.301 7 HH TYR 103 HH TYR 103 6.428 4.120 1.998 8 H TYR 103 HN TYR 103 14.855 3.046 2.250 9 HB3 TYR 103 HB1 TYR 103 12.780 4.319 1.856 No H/Q in entry = 9 In of MODEL 19 1 HA LEU 104 HA LEU 104 11.591 2.437 -1.820 2 HB2 LEU 104 HB2 LEU 104 13.347 4.009 -2.392 3 HG LEU 104 HG LEU 104 13.304 1.870 -4.518 4 HD12 LEU 104 HD11 LEU 104 11.483 3.180 -5.501 5 HD11 LEU 104 HD12 LEU 104 11.502 4.254 -4.103 6 HD13 LEU 104 HD13 LEU 104 11.048 2.560 -3.907 7 HD23 LEU 104 HD21 LEU 104 13.813 3.765 -6.013 8 HD22 LEU 104 HD22 LEU 104 15.092 3.469 -4.834 9 HD21 LEU 104 HD23 LEU 104 13.971 4.811 -4.598 10 H LEU 104 HN LEU 104 13.887 2.791 -0.209 11 HB3 LEU 104 HB1 LEU 104 14.503 2.705 -2.556 No H/Q in entry = 11 In of MODEL 19 1 HA PRO 105 HA PRO 105 13.741 -1.624 -3.455 2 HB2 PRO 105 HB2 PRO 105 15.529 -2.775 -1.710 3 HG2 PRO 105 HG2 PRO 105 15.596 -1.013 -0.195 4 HD2 PRO 105 HD2 PRO 105 15.022 1.177 -0.799 5 HB3 PRO 105 HB1 PRO 105 15.997 -1.749 -3.074 6 HG3 PRO 105 HG1 PRO 105 16.944 -0.582 -1.274 7 HD3 PRO 105 HD1 PRO 105 15.648 0.978 -2.453 No H/Q in entry = 7 In of MODEL 19 1 HA GLU 106 HA GLU 106 12.200 -3.677 0.613 2 HB2 GLU 106 HB2 GLU 106 11.377 -0.998 1.726 3 HG2 GLU 106 HG2 GLU 106 13.695 -1.298 2.152 4 H GLU 106 HN GLU 106 13.175 -1.119 0.003 5 HB3 GLU 106 HB1 GLU 106 10.981 -2.555 2.435 6 HG3 GLU 106 HG1 GLU 106 12.807 -1.616 3.641 No H/Q in entry = 6 In of MODEL 19 1 HA LEU 107 HA LEU 107 7.980 -1.757 -0.659 2 HB2 LEU 107 HB2 LEU 107 9.302 0.388 -2.314 3 HG LEU 107 HG LEU 107 9.178 0.837 0.182 4 HD13 LEU 107 HD11 LEU 107 8.377 3.110 -0.153 5 HD12 LEU 107 HD12 LEU 107 7.632 2.632 -1.678 6 HD11 LEU 107 HD13 LEU 107 9.385 2.594 -1.504 7 HD23 LEU 107 HD21 LEU 107 6.985 1.470 1.057 8 HD22 LEU 107 HD22 LEU 107 7.025 -0.233 0.599 9 HD21 LEU 107 HD23 LEU 107 6.232 0.943 -0.450 10 H LEU 107 HN LEU 107 10.638 -0.772 -0.629 11 HB3 LEU 107 HB1 LEU 107 7.578 0.089 -2.256 No H/Q in entry = 11 In of MODEL 19 1 HA MET 108 HA MET 108 8.984 -2.701 -5.260 2 HB2 MET 108 HB2 MET 108 10.983 -2.937 -6.460 3 HG2 MET 108 HG2 MET 108 12.535 -2.590 -3.914 4 HE3 MET 108 HE1 MET 108 12.680 -0.456 -6.340 5 HE2 MET 108 HE2 MET 108 14.430 -0.277 -6.478 6 HE1 MET 108 HE3 MET 108 13.676 -0.364 -4.886 7 H MET 108 HN MET 108 10.525 -1.619 -3.132 8 HB3 MET 108 HB1 MET 108 11.108 -1.455 -5.527 9 HG3 MET 108 HG1 MET 108 12.394 -4.085 -4.836 No H/Q in entry = 9 In of MODEL 19 1 HA ALA 109 HA ALA 109 10.805 -6.830 -3.878 2 HB2 ALA 109 HB1 ALA 109 11.536 -7.632 -1.654 3 HB3 ALA 109 HB2 ALA 109 11.272 -6.010 -1.006 4 HB1 ALA 109 HB3 ALA 109 12.506 -6.279 -2.236 5 H ALA 109 HN ALA 109 10.919 -4.240 -2.728 No H/Q in entry = 5 In of MODEL 19 1 HA GLU 110 HA GLU 110 7.097 -7.455 -0.980 2 HB2 GLU 110 HB2 GLU 110 6.708 -4.495 -0.501 3 HG2 GLU 110 HG2 GLU 110 7.264 -6.764 1.397 4 H GLU 110 HN GLU 110 8.842 -5.231 -1.395 5 HB3 GLU 110 HB1 GLU 110 5.534 -5.718 -0.038 6 HG3 GLU 110 HG1 GLU 110 8.341 -5.422 1.004 No H/Q in entry = 6 In of MODEL 19 1 HA LYS 111 HA LYS 111 4.577 -4.970 -4.232 2 HB2 LYS 111 HB2 LYS 111 5.654 -2.947 -4.684 3 HG2 LYS 111 HG2 LYS 111 6.087 -4.475 -7.234 4 HD2 LYS 111 HD2 LYS 111 5.530 -1.550 -6.753 5 HE2 LYS 111 HE2 LYS 111 6.118 -1.311 -9.122 6 HZ2 LYS 111 HZ1 LYS 111 4.103 -2.162 -10.043 7 HZ1 LYS 111 HZ2 LYS 111 3.763 -1.622 -8.476 8 HZ3 LYS 111 HZ3 LYS 111 3.921 -3.283 -8.787 9 H LYS 111 HN LYS 111 7.110 -4.658 -3.084 10 HB3 LYS 111 HB1 LYS 111 7.141 -3.736 -5.184 11 HG3 LYS 111 HG1 LYS 111 4.553 -3.761 -6.726 12 HD3 LYS 111 HD1 LYS 111 7.118 -2.222 -7.122 13 HE3 LYS 111 HE1 LYS 111 6.248 -3.062 -9.256 No H/Q in entry = 13 In of MODEL 19 1 HA ASP 112 HA ASP 112 6.717 -7.727 -7.475 2 HB2 ASP 112 HB2 ASP 112 9.073 -7.197 -7.252 3 H ASP 112 HN ASP 112 7.705 -6.327 -5.218 4 HB3 ASP 112 HB1 ASP 112 9.190 -8.166 -5.789 No H/Q in entry = 4 In of MODEL 19 1 HA SER 113 HA SER 113 6.418 -11.347 -4.603 2 HB2 SER 113 HB2 SER 113 6.879 -9.881 -2.001 3 HG SER 113 HG SER 113 8.726 -9.725 -3.179 4 H SER 113 HN SER 113 6.802 -8.499 -4.079 5 HB3 SER 113 HB1 SER 113 6.870 -11.629 -2.212 No H/Q in entry = 5 In of MODEL 19 1 HA LEU 114 HA LEU 114 2.608 -9.867 -2.204 2 HB2 LEU 114 HB2 LEU 114 3.220 -7.392 -2.423 3 HG LEU 114 HG LEU 114 0.354 -8.293 -2.272 4 HD12 LEU 114 HD11 LEU 114 0.618 -7.636 0.086 5 HD11 LEU 114 HD12 LEU 114 2.295 -7.194 -0.237 6 HD13 LEU 114 HD13 LEU 114 1.780 -8.875 -0.393 7 HD23 LEU 114 HD21 LEU 114 1.366 -5.489 -1.856 8 HD22 LEU 114 HD22 LEU 114 -0.285 -6.062 -1.615 9 HD21 LEU 114 HD23 LEU 114 0.411 -6.031 -3.234 10 H LEU 114 HN LEU 114 4.537 -8.626 -3.916 11 HB3 LEU 114 HB1 LEU 114 2.184 -7.379 -3.837 No H/Q in entry = 11 In of MODEL 19 1 HA ASP 115 HA ASP 115 0.230 -11.804 -5.235 2 HB2 ASP 115 HB2 ASP 115 -0.588 -12.716 -3.024 3 H ASP 115 HN ASP 115 0.566 -10.573 -2.691 4 HB3 ASP 115 HB1 ASP 115 -1.845 -11.485 -3.057 No H/Q in entry = 4 In of MODEL 19 1 HA PRO 116 HA PRO 116 -1.526 -8.378 -7.383 2 HB2 PRO 116 HB2 PRO 116 -2.689 -9.750 -9.431 3 HG2 PRO 116 HG2 PRO 116 -2.494 -11.893 -8.541 4 HD2 PRO 116 HD2 PRO 116 -0.987 -12.398 -6.850 5 HB3 PRO 116 HB1 PRO 116 -0.952 -9.442 -9.323 6 HG3 PRO 116 HG1 PRO 116 -0.975 -11.776 -9.454 7 HD3 PRO 116 HD1 PRO 116 0.284 -11.365 -7.540 No H/Q in entry = 7 In of MODEL 19 1 HA SER 117 HA SER 117 -6.021 -10.045 -6.884 2 HB2 SER 117 HB2 SER 117 -5.575 -12.261 -5.866 3 HG SER 117 HG SER 117 -7.591 -10.575 -5.103 4 H SER 117 HN SER 117 -3.475 -10.952 -6.119 5 HB3 SER 117 HB1 SER 117 -5.262 -11.473 -4.323 No H/Q in entry = 5 In of MODEL 19 1 HA PHE 118 HA PHE 118 -5.788 -7.115 -3.330 2 HB2 PHE 118 HB2 PHE 118 -2.810 -7.259 -2.829 3 HD1 PHE 118 HD1 PHE 118 -2.826 -9.719 -2.891 4 HD2 PHE 118 HD2 PHE 118 -5.287 -7.513 -0.221 5 HE1 PHE 118 HE1 PHE 118 -3.148 -11.735 -1.539 6 HE2 PHE 118 HE2 PHE 118 -5.606 -9.525 1.150 7 HZ PHE 118 HZ PHE 118 -4.541 -11.645 0.494 8 H PHE 118 HN PHE 118 -3.760 -8.769 -4.632 9 HB3 PHE 118 HB1 PHE 118 -3.988 -6.395 -1.847 No H/Q in entry = 9 In of MODEL 19 1 HA THR 119 HA THR 119 -4.587 -4.581 -6.868 2 HB THR 119 HB THR 119 -7.358 -3.751 -6.000 3 HG1 THR 119 HG1 THR 119 -6.336 -5.554 -7.913 4 HG21 THR 119 HG21 THR 119 -5.731 -2.886 -8.396 5 HG23 THR 119 HG22 THR 119 -6.217 -1.876 -7.030 6 HG22 THR 119 HG23 THR 119 -7.437 -2.513 -8.133 7 H THR 119 HN THR 119 -6.339 -5.850 -5.115 No H/Q in entry = 7 In of MODEL 19 1 HA HIS 120 HA HIS 120 -5.083 -0.723 -4.221 2 HB2 HIS 120 HB2 HIS 120 -6.280 -2.102 -1.822 3 HD1 HIS 120 HD1 HIS 120 -7.122 0.665 -4.295 4 HD2 HIS 120 HD2 HIS 120 -8.850 -2.570 -2.360 5 HE1 HIS 120 HE1 HIS 120 -9.480 0.549 -5.156 6 HE2 HIS 120 HE2 HIS 120 -10.450 -1.525 -4.108 7 H HIS 120 HN HIS 120 -6.105 -3.367 -3.895 8 HB3 HIS 120 HB1 HIS 120 -5.941 -0.378 -1.917 No H/Q in entry = 8 In of MODEL 19 1 HA ALA 121 HA ALA 121 -2.022 -2.269 -0.848 2 HB3 ALA 121 HB1 ALA 121 -2.121 -5.143 -1.733 3 HB1 ALA 121 HB2 ALA 121 -3.036 -4.514 -0.366 4 HB2 ALA 121 HB3 ALA 121 -1.272 -4.470 -0.339 5 H ALA 121 HN ALA 121 -4.180 -3.461 -2.161 No H/Q in entry = 5 In of MODEL 19 1 HA MET 122 HA MET 122 0.538 -3.697 -4.555 2 HB2 MET 122 HB2 MET 122 -1.942 -4.272 -6.123 3 HG2 MET 122 HG2 MET 122 -0.561 -5.972 -4.715 4 HE3 MET 122 HE1 MET 122 1.976 -4.122 -5.642 5 HE2 MET 122 HE2 MET 122 3.220 -5.371 -5.589 6 HE1 MET 122 HE3 MET 122 1.980 -5.308 -4.338 7 H MET 122 HN MET 122 -2.230 -3.863 -3.949 8 HB3 MET 122 HB1 MET 122 -0.418 -4.032 -6.965 9 HG3 MET 122 HG1 MET 122 -1.233 -6.416 -6.283 No H/Q in entry = 9 In of MODEL 19 1 HA GLN 123 HA GLN 123 -0.790 0.096 -6.980 2 HB2 GLN 123 HB2 GLN 123 -2.724 1.441 -7.074 3 HG2 GLN 123 HG2 GLN 123 -3.499 0.492 -4.346 4 HE21 GLN 123 HE21 GLN 123 -4.442 2.109 -7.287 5 HE22 GLN 123 HE22 GLN 123 -6.085 2.389 -6.836 6 H GLN 123 HN GLN 123 -2.238 -1.597 -5.221 7 HB3 GLN 123 HB1 GLN 123 -3.380 -0.139 -6.700 8 HG3 GLN 123 HG1 GLN 123 -2.923 2.102 -4.769 No H/Q in entry = 8 In of MODEL 19 1 HA LEU 124 HA LEU 124 -0.409 2.813 -3.266 2 HB2 LEU 124 HB2 LEU 124 -0.940 0.628 -1.267 3 HG LEU 124 HG LEU 124 -2.879 1.696 -2.577 4 HD13 LEU 124 HD11 LEU 124 -3.191 0.375 -0.574 5 HD12 LEU 124 HD12 LEU 124 -4.294 1.750 -0.595 6 HD11 LEU 124 HD13 LEU 124 -2.862 1.786 0.435 7 HD23 LEU 124 HD21 LEU 124 -2.207 3.972 -0.712 8 HD22 LEU 124 HD22 LEU 124 -3.650 3.846 -1.718 9 HD21 LEU 124 HD23 LEU 124 -2.061 3.996 -2.470 10 H LEU 124 HN LEU 124 -1.476 0.248 -3.554 11 HB3 LEU 124 HB1 LEU 124 -0.514 2.272 -0.807 No H/Q in entry = 11 In of MODEL 19 1 HA LEU 125 HA LEU 125 3.579 0.351 -2.062 2 HB2 LEU 125 HB2 LEU 125 2.477 -1.916 -3.688 3 HG LEU 125 HG LEU 125 2.421 -2.081 -1.183 4 HD12 LEU 125 HD11 LEU 125 3.299 -4.384 -1.194 5 HD11 LEU 125 HD12 LEU 125 4.071 -4.064 -2.744 6 HD13 LEU 125 HD13 LEU 125 2.313 -4.032 -2.611 7 HD22 LEU 125 HD21 LEU 125 4.521 -2.574 -0.047 8 HD21 LEU 125 HD22 LEU 125 4.566 -0.956 -0.749 9 HD23 LEU 125 HD23 LEU 125 5.414 -2.287 -1.543 10 H LEU 125 HN LEU 125 1.002 -0.384 -3.030 11 HB3 LEU 125 HB1 LEU 125 4.207 -1.711 -3.581 No H/Q in entry = 11 In of MODEL 19 1 HA THR 126 HA THR 126 4.435 0.761 -6.655 2 HB THR 126 HB THR 126 1.537 1.150 -7.417 3 HG1 THR 126 HG1 THR 126 1.801 -0.979 -7.319 4 HG23 THR 126 HG21 THR 126 2.912 2.583 -8.820 5 HG22 THR 126 HG22 THR 126 2.318 1.209 -9.755 6 HG21 THR 126 HG23 THR 126 3.988 1.230 -9.183 7 H THR 126 HN THR 126 2.047 0.321 -5.196 No H/Q in entry = 7 In of MODEL 19 1 HA ALA 127 HA ALA 127 2.623 5.219 -6.703 2 HB1 ALA 127 HB1 ALA 127 0.411 4.817 -5.745 3 HB3 ALA 127 HB2 ALA 127 1.136 6.307 -5.139 4 HB2 ALA 127 HB3 ALA 127 1.108 4.863 -4.126 5 H ALA 127 HN ALA 127 1.806 2.838 -5.516 No H/Q in entry = 5 In of MODEL 19 1 HA GLU 128 HA GLU 128 4.806 6.163 -2.568 2 HB2 GLU 128 HB2 GLU 128 3.982 4.331 -1.087 3 HG2 GLU 128 HG2 GLU 128 5.882 4.255 0.432 4 H GLU 128 HN GLU 128 3.345 3.936 -3.441 5 HB3 GLU 128 HB1 GLU 128 5.263 3.305 -1.707 6 HG3 GLU 128 HG1 GLU 128 6.934 4.850 -0.845 No H/Q in entry = 6 In of MODEL 19 1 HA ILE 129 HA ILE 129 8.545 3.759 -4.297 2 HB ILE 129 HB ILE 129 6.815 2.317 -6.303 3 HD11 ILE 129 HD11 ILE 129 6.681 -0.163 -5.813 4 HD13 ILE 129 HD12 ILE 129 7.687 -0.838 -4.529 5 HD12 ILE 129 HD13 ILE 129 8.429 -0.281 -6.032 6 H ILE 129 HN ILE 129 5.794 3.269 -4.290 No H/Q in entry = 6 In of MODEL 19 1 HA GLU 130 HA GLU 130 7.539 6.218 -8.345 2 HB2 GLU 130 HB2 GLU 130 4.741 6.699 -7.339 3 HG2 GLU 130 HG2 GLU 130 5.846 5.514 -9.862 4 H GLU 130 HN GLU 130 5.981 4.812 -6.499 5 HB3 GLU 130 HB1 GLU 130 5.473 7.675 -8.602 6 HG3 GLU 130 HG1 GLU 130 4.773 4.764 -8.678 No H/Q in entry = 6 In of MODEL 19 1 HA LYS 131 HA LYS 131 6.736 9.925 -5.367 2 HB2 LYS 131 HB2 LYS 131 6.521 8.081 -2.984 3 HG2 LYS 131 HG2 LYS 131 4.554 10.140 -3.934 4 HD2 LYS 131 HD2 LYS 131 2.976 8.702 -2.634 5 HE2 LYS 131 HE2 LYS 131 4.140 10.775 -1.699 6 HZ3 LYS 131 HZ1 LYS 131 5.479 10.135 0.342 7 HZ2 LYS 131 HZ2 LYS 131 6.274 10.073 -1.152 8 HZ1 LYS 131 HZ3 LYS 131 5.735 8.639 -0.420 9 H LYS 131 HN LYS 131 6.176 7.195 -5.230 10 HB3 LYS 131 HB1 LYS 131 6.630 9.832 -2.856 11 HG3 LYS 131 HG1 LYS 131 4.494 8.457 -4.455 12 HD3 LYS 131 HD1 LYS 131 4.369 7.804 -2.045 13 HE3 LYS 131 HE1 LYS 131 3.412 9.650 -0.557 No H/Q in entry = 13 In of MODEL 19 1 HA ILE 132 HA ILE 132 10.870 8.914 -3.245 2 HB ILE 132 HB ILE 132 11.031 6.004 -4.031 3 HD13 ILE 132 HD11 ILE 132 9.810 4.930 -0.638 4 HD12 ILE 132 HD12 ILE 132 11.513 5.274 -0.950 5 HD11 ILE 132 HD13 ILE 132 10.576 4.333 -2.110 6 H ILE 132 HN ILE 132 8.676 7.293 -3.988 No H/Q in entry = 6 In of MODEL 19 1 HA GLN 133 HA GLN 133 12.706 7.406 -7.379 2 HB2 GLN 133 HB2 GLN 133 10.040 6.570 -8.499 3 HG2 GLN 133 HG2 GLN 133 12.568 5.019 -7.996 4 HE21 GLN 133 HE21 GLN 133 12.508 2.853 -8.555 5 HE22 GLN 133 HE22 GLN 133 11.360 2.226 -9.688 6 H GLN 133 HN GLN 133 10.193 7.000 -6.151 7 HB3 GLN 133 HB1 GLN 133 11.500 6.655 -9.472 8 HG3 GLN 133 HG1 GLN 133 11.084 4.920 -7.047 No H/Q in entry = 8 In of MODEL 19 1 HA LYS 134 HA LYS 134 10.382 10.834 -9.810 2 HB2 LYS 134 HB2 LYS 134 8.646 11.599 -7.457 3 HG2 LYS 134 HG2 LYS 134 7.802 10.519 -10.121 4 HD2 LYS 134 HD2 LYS 134 6.380 11.625 -7.733 5 HE2 LYS 134 HE2 LYS 134 5.478 9.367 -8.057 6 HZ1 LYS 134 HZ1 LYS 134 5.957 9.134 -10.439 7 HZ3 LYS 134 HZ2 LYS 134 4.732 10.256 -10.786 8 HZ2 LYS 134 HZ3 LYS 134 4.344 8.775 -10.061 9 H LYS 134 HN LYS 134 9.706 9.257 -7.547 10 HB3 LYS 134 HB1 LYS 134 8.715 12.450 -8.991 11 HG3 LYS 134 HG1 LYS 134 7.779 9.628 -8.596 12 HD3 LYS 134 HD1 LYS 134 6.112 11.970 -9.441 13 HE3 LYS 134 HE1 LYS 134 4.306 10.617 -8.462 No H/Q in entry = 13 In of MODEL 19 1 HA3 GLY 135 HA2 GLY 135 11.928 13.735 -6.438 2 H GLY 135 HN GLY 135 11.347 10.954 -6.505 3 HA2 GLY 135 HA1 GLY 135 12.408 12.543 -5.241 No H/Q in entry = 3 In of MODEL 20 1 H1 GLY 95 HT3 GLY 95 -9.251 4.665 -10.480 2 H2 GLY 95 HT2 GLY 95 -9.449 2.985 -10.571 3 H3 GLY 95 HT1 GLY 95 -8.044 3.701 -11.185 4 HA3 GLY 95 HA1 GLY 95 -9.247 4.756 -12.936 5 HA2 GLY 95 HA2 GLY 95 -9.621 3.038 -12.936 No H/Q in entry = 5 In of MODEL 20 1 HA ALA 96 HA ALA 96 -13.343 5.869 -12.727 2 HB2 ALA 96 HB1 ALA 96 -12.981 6.285 -15.109 3 HB3 ALA 96 HB2 ALA 96 -14.656 5.839 -14.778 4 HB1 ALA 96 HB3 ALA 96 -13.552 4.656 -15.478 5 H ALA 96 HN ALA 96 -11.346 4.581 -14.230 No H/Q in entry = 5 In of MODEL 20 1 HA MET 97 HA MET 97 -15.633 1.753 -13.042 2 HB2 MET 97 HB2 MET 97 -13.140 0.089 -13.391 3 HG2 MET 97 HG2 MET 97 -15.465 0.542 -15.245 4 HE2 MET 97 HE1 MET 97 -11.769 -2.126 -15.972 5 HE1 MET 97 HE2 MET 97 -12.098 -1.314 -14.442 6 HE3 MET 97 HE3 MET 97 -11.699 -0.365 -15.873 7 H MET 97 HN MET 97 -12.952 2.518 -13.680 8 HB3 MET 97 HB1 MET 97 -14.753 -0.577 -13.186 9 HG3 MET 97 HG1 MET 97 -13.835 1.176 -15.453 No H/Q in entry = 9 In of MODEL 20 1 HA GLU 98 HA GLU 98 -13.672 0.702 -8.975 2 HB2 GLU 98 HB2 GLU 98 -11.284 1.206 -9.675 3 HG2 GLU 98 HG2 GLU 98 -11.715 2.010 -6.824 4 H GLU 98 HN GLU 98 -12.955 2.476 -11.165 5 HB3 GLU 98 HB1 GLU 98 -11.521 2.817 -9.020 6 HG3 GLU 98 HG1 GLU 98 -11.928 0.346 -7.370 No H/Q in entry = 6 In of MODEL 20 1 HA PRO 99 HA PRO 99 -16.430 3.778 -7.417 2 HB2 PRO 99 HB2 PRO 99 -17.114 2.573 -5.123 3 HG2 PRO 99 HG2 PRO 99 -15.310 1.107 -4.953 4 HD2 PRO 99 HD2 PRO 99 -14.053 0.501 -6.798 5 HB3 PRO 99 HB1 PRO 99 -17.611 1.921 -6.691 6 HG3 PRO 99 HG1 PRO 99 -16.516 0.079 -5.753 7 HD3 PRO 99 HD1 PRO 99 -15.488 0.265 -7.815 No H/Q in entry = 7 In of MODEL 20 1 HA GLU 100 HA GLU 100 -13.968 6.158 -4.925 2 HB2 GLU 100 HB2 GLU 100 -15.484 7.734 -6.071 3 HG2 GLU 100 HG2 GLU 100 -14.998 8.646 -3.249 4 H GLU 100 HN GLU 100 -16.552 5.382 -5.889 5 HB3 GLU 100 HB1 GLU 100 -16.587 7.632 -4.704 6 HG3 GLU 100 HG1 GLU 100 -13.736 8.557 -4.478 No H/Q in entry = 6 In of MODEL 20 1 HA ASN 101 HA ASN 101 -15.919 5.827 -0.744 2 HB2 ASN 101 HB2 ASN 101 -18.244 6.471 -1.176 3 HD21 ASN 101 HD21 ASN 101 -17.935 7.063 0.961 4 HD22 ASN 101 HD22 ASN 101 -18.403 6.047 2.280 5 H ASN 101 HN ASN 101 -17.063 5.308 -3.359 6 HB3 ASN 101 HB1 ASN 101 -18.646 4.802 -1.567 No H/Q in entry = 6 In of MODEL 20 1 HA LYS 102 HA LYS 102 -16.813 1.087 -0.658 2 HB2 LYS 102 HB2 LYS 102 -18.141 1.061 -2.917 3 HG2 LYS 102 HG2 LYS 102 -16.668 -1.268 -1.735 4 HD2 LYS 102 HD2 LYS 102 -18.614 -2.480 -3.109 5 HE2 LYS 102 HE2 LYS 102 -16.889 -2.940 -4.897 6 HZ3 LYS 102 HZ1 LYS 102 -15.249 -3.907 -3.263 7 HZ2 LYS 102 HZ2 LYS 102 -16.865 -4.380 -3.055 8 HZ1 LYS 102 HZ3 LYS 102 -16.191 -3.217 -2.028 9 H LYS 102 HN LYS 102 -17.392 3.095 -2.456 10 HB3 LYS 102 HB1 LYS 102 -16.610 0.509 -3.582 11 HG3 LYS 102 HG1 LYS 102 -18.371 -0.833 -1.564 12 HD3 LYS 102 HD1 LYS 102 -18.282 -1.147 -4.216 13 HE3 LYS 102 HE1 LYS 102 -15.847 -1.787 -4.067 No H/Q in entry = 13 In of MODEL 20 1 HA TYR 103 HA TYR 103 -12.417 1.140 -2.680 2 HB2 TYR 103 HB2 TYR 103 -12.462 3.389 -3.613 3 HD1 TYR 103 HD1 TYR 103 -10.321 1.750 -3.959 4 HD2 TYR 103 HD2 TYR 103 -10.569 5.017 -1.250 5 HE1 TYR 103 HE1 TYR 103 -7.869 1.975 -4.007 6 HE2 TYR 103 HE2 TYR 103 -8.126 5.251 -1.278 7 HH TYR 103 HH TYR 103 -6.162 4.127 -1.850 8 H TYR 103 HN TYR 103 -14.557 2.914 -2.331 9 HB3 TYR 103 HB1 TYR 103 -12.508 4.090 -2.004 No H/Q in entry = 9 In of MODEL 20 1 HA LEU 104 HA LEU 104 -11.592 2.369 1.896 2 HB2 LEU 104 HB2 LEU 104 -13.325 3.983 2.318 3 HG LEU 104 HG LEU 104 -13.544 1.864 4.457 4 HD13 LEU 104 HD11 LEU 104 -11.243 2.496 4.106 5 HD12 LEU 104 HD12 LEU 104 -11.829 3.218 5.606 6 HD11 LEU 104 HD13 LEU 104 -11.674 4.203 4.153 7 HD21 LEU 104 HD21 LEU 104 -14.166 4.814 4.497 8 HD23 LEU 104 HD22 LEU 104 -14.209 3.735 5.893 9 HD22 LEU 104 HD23 LEU 104 -15.343 3.502 4.561 10 H LEU 104 HN LEU 104 -13.784 2.678 0.142 11 HB3 LEU 104 HB1 LEU 104 -14.544 2.727 2.384 No H/Q in entry = 11 In of MODEL 20 1 HA PRO 105 HA PRO 105 -13.853 -1.654 3.483 2 HB2 PRO 105 HB2 PRO 105 -15.626 -2.782 1.716 3 HG2 PRO 105 HG2 PRO 105 -15.619 -1.046 0.165 4 HD2 PRO 105 HD2 PRO 105 -14.997 1.133 0.738 5 HB3 PRO 105 HB1 PRO 105 -16.107 -1.720 3.045 6 HG3 PRO 105 HG1 PRO 105 -16.981 -0.567 1.204 7 HD3 PRO 105 HD1 PRO 105 -15.696 1.003 2.366 No H/Q in entry = 7 In of MODEL 20 1 HA GLU 106 HA GLU 106 -12.170 -3.611 -0.631 2 HB2 GLU 106 HB2 GLU 106 -11.539 -0.803 -1.511 3 HG2 GLU 106 HG2 GLU 106 -13.721 -1.975 -2.173 4 H GLU 106 HN GLU 106 -13.217 -1.111 0.064 5 HB3 GLU 106 HB1 GLU 106 -10.742 -2.200 -2.213 6 HG3 GLU 106 HG1 GLU 106 -12.751 -1.196 -3.423 No H/Q in entry = 6 In of MODEL 20 1 HA LEU 107 HA LEU 107 -8.015 -1.725 0.903 2 HB2 LEU 107 HB2 LEU 107 -9.428 0.412 2.488 3 HG LEU 107 HG LEU 107 -9.170 0.905 0.051 4 HD11 LEU 107 HD11 LEU 107 -9.264 2.678 1.728 5 HD13 LEU 107 HD12 LEU 107 -8.192 3.107 0.395 6 HD12 LEU 107 HD13 LEU 107 -7.516 2.577 1.935 7 HD22 LEU 107 HD21 LEU 107 -7.117 -0.329 -0.348 8 HD21 LEU 107 HD22 LEU 107 -6.240 0.749 0.740 9 HD23 LEU 107 HD23 LEU 107 -6.910 1.371 -0.770 10 H LEU 107 HN LEU 107 -10.668 -0.737 0.767 11 HB3 LEU 107 HB1 LEU 107 -7.704 0.103 2.557 No H/Q in entry = 11 In of MODEL 20 1 HA MET 108 HA MET 108 -9.217 -2.726 5.433 2 HB2 MET 108 HB2 MET 108 -11.233 -2.910 6.562 3 HG2 MET 108 HG2 MET 108 -12.698 -2.858 3.943 4 HE2 MET 108 HE1 MET 108 -14.531 -2.785 8.183 5 HE1 MET 108 HE2 MET 108 -12.804 -2.632 7.866 6 HE3 MET 108 HE3 MET 108 -13.625 -4.160 7.549 7 H MET 108 HN MET 108 -10.665 -1.608 3.260 8 HB3 MET 108 HB1 MET 108 -11.410 -1.493 5.543 9 HG3 MET 108 HG1 MET 108 -12.580 -4.219 5.060 No H/Q in entry = 9 In of MODEL 20 1 HA ALA 109 HA ALA 109 -10.948 -6.834 3.858 2 HB1 ALA 109 HB1 ALA 109 -12.592 -6.199 2.161 3 HB3 ALA 109 HB2 ALA 109 -11.630 -7.573 1.618 4 HB2 ALA 109 HB3 ALA 109 -11.299 -5.959 0.985 5 H ALA 109 HN ALA 109 -11.034 -4.207 2.782 No H/Q in entry = 5 In of MODEL 20 1 HA GLU 110 HA GLU 110 -7.173 -7.384 1.040 2 HB2 GLU 110 HB2 GLU 110 -6.768 -4.417 0.608 3 HG2 GLU 110 HG2 GLU 110 -7.317 -6.639 -1.346 4 H GLU 110 HN GLU 110 -8.931 -5.169 1.452 5 HB3 GLU 110 HB1 GLU 110 -5.606 -5.644 0.128 6 HG3 GLU 110 HG1 GLU 110 -8.414 -5.331 -0.909 No H/Q in entry = 6 In of MODEL 20 1 HA LYS 111 HA LYS 111 -4.666 -4.846 4.313 2 HB2 LYS 111 HB2 LYS 111 -5.763 -2.884 4.866 3 HG2 LYS 111 HG2 LYS 111 -6.205 -4.636 7.270 4 HD2 LYS 111 HD2 LYS 111 -5.998 -1.634 7.190 5 HE2 LYS 111 HE2 LYS 111 -5.446 -2.470 9.327 6 HZ2 LYS 111 HZ1 LYS 111 -6.158 -4.700 9.268 7 HZ1 LYS 111 HZ2 LYS 111 -7.775 -4.275 8.994 8 HZ3 LYS 111 HZ3 LYS 111 -7.064 -3.972 10.503 9 H LYS 111 HN LYS 111 -7.176 -4.575 3.141 10 HB3 LYS 111 HB1 LYS 111 -7.271 -3.707 5.235 11 HG3 LYS 111 HG1 LYS 111 -4.780 -3.645 6.921 12 HD3 LYS 111 HD1 LYS 111 -7.542 -2.482 7.172 13 HE3 LYS 111 HE1 LYS 111 -7.111 -1.896 9.425 No H/Q in entry = 13 In of MODEL 20 1 HA ASP 112 HA ASP 112 -6.417 -7.581 7.586 2 HB2 ASP 112 HB2 ASP 112 -9.242 -7.414 6.650 3 H ASP 112 HN ASP 112 -7.746 -6.284 5.376 4 HB3 ASP 112 HB1 ASP 112 -8.788 -8.675 7.791 No H/Q in entry = 4 In of MODEL 20 1 HA SER 113 HA SER 113 -6.581 -11.221 4.866 2 HB2 SER 113 HB2 SER 113 -7.011 -9.744 2.262 3 HG SER 113 HG SER 113 -8.910 -9.600 3.242 4 H SER 113 HN SER 113 -6.723 -8.333 4.351 5 HB3 SER 113 HB1 SER 113 -7.005 -11.495 2.454 No H/Q in entry = 5 In of MODEL 20 1 HA LEU 114 HA LEU 114 -2.733 -9.831 2.378 2 HB2 LEU 114 HB2 LEU 114 -3.347 -7.329 2.564 3 HG LEU 114 HG LEU 114 -0.500 -8.273 2.355 4 HD13 LEU 114 HD11 LEU 114 -1.958 -8.780 0.485 5 HD12 LEU 114 HD12 LEU 114 -0.786 -7.543 0.022 6 HD11 LEU 114 HD13 LEU 114 -2.451 -7.090 0.380 7 HD21 LEU 114 HD21 LEU 114 -0.507 -6.024 3.364 8 HD23 LEU 114 HD22 LEU 114 -1.448 -5.443 1.993 9 HD22 LEU 114 HD23 LEU 114 0.189 -6.054 1.747 10 H LEU 114 HN LEU 114 -4.706 -8.519 3.943 11 HB3 LEU 114 HB1 LEU 114 -2.294 -7.320 3.967 No H/Q in entry = 11 In of MODEL 20 1 HA ASP 115 HA ASP 115 -0.500 -11.650 5.591 2 HB2 ASP 115 HB2 ASP 115 0.280 -12.828 3.523 3 H ASP 115 HN ASP 115 -0.711 -10.567 2.953 4 HB3 ASP 115 HB1 ASP 115 1.582 -11.649 3.395 No H/Q in entry = 4 In of MODEL 20 1 HA PRO 116 HA PRO 116 1.417 -8.226 7.545 2 HB2 PRO 116 HB2 PRO 116 2.596 -9.540 9.628 3 HG2 PRO 116 HG2 PRO 116 2.326 -11.715 8.834 4 HD2 PRO 116 HD2 PRO 116 0.758 -12.245 7.203 5 HB3 PRO 116 HB1 PRO 116 0.865 -9.191 9.543 6 HG3 PRO 116 HG1 PRO 116 0.829 -11.514 9.773 7 HD3 PRO 116 HD1 PRO 116 -0.455 -11.134 7.873 No H/Q in entry = 7 In of MODEL 20 1 HA SER 117 HA SER 117 5.858 -9.995 7.084 2 HB2 SER 117 HB2 SER 117 5.380 -12.247 6.142 3 HG SER 117 HG SER 117 7.490 -10.786 5.730 4 H SER 117 HN SER 117 3.293 -10.868 6.314 5 HB3 SER 117 HB1 SER 117 5.113 -11.502 4.567 No H/Q in entry = 5 In of MODEL 20 1 HA PHE 118 HA PHE 118 5.662 -7.188 3.438 2 HB2 PHE 118 HB2 PHE 118 2.683 -7.297 2.908 3 HD1 PHE 118 HD1 PHE 118 2.656 -9.772 2.997 4 HD2 PHE 118 HD2 PHE 118 5.131 -7.621 0.288 5 HE1 PHE 118 HE1 PHE 118 2.913 -11.792 1.635 6 HE2 PHE 118 HE2 PHE 118 5.390 -9.640 -1.085 7 HZ PHE 118 HZ PHE 118 4.281 -11.736 -0.413 8 H PHE 118 HN PHE 118 3.629 -8.852 4.709 9 HB3 PHE 118 HB1 PHE 118 3.883 -6.470 1.927 No H/Q in entry = 9 In of MODEL 20 1 HA THR 119 HA THR 119 4.315 -4.818 7.022 2 HB THR 119 HB THR 119 7.189 -4.115 6.446 3 HG1 THR 119 HG1 THR 119 6.158 -6.168 7.641 4 HG22 THR 119 HG21 THR 119 7.145 -2.880 8.584 5 HG21 THR 119 HG22 THR 119 5.400 -3.127 8.671 6 HG23 THR 119 HG23 THR 119 6.087 -2.159 7.366 7 H THR 119 HN THR 119 6.179 -5.987 5.292 No H/Q in entry = 7 In of MODEL 20 1 HA HIS 120 HA HIS 120 5.092 -0.822 4.673 2 HB2 HIS 120 HB2 HIS 120 6.206 -2.021 2.138 3 HD1 HIS 120 HD1 HIS 120 7.439 0.050 5.111 4 HD2 HIS 120 HD2 HIS 120 8.702 -2.875 2.459 5 HE1 HIS 120 HE1 HIS 120 9.743 -0.593 5.868 6 HE2 HIS 120 HE2 HIS 120 10.389 -2.530 4.390 7 H HIS 120 HN HIS 120 6.009 -3.491 4.208 8 HB3 HIS 120 HB1 HIS 120 6.113 -0.312 2.530 No H/Q in entry = 8 In of MODEL 20 1 HA ALA 121 HA ALA 121 2.044 -2.153 1.140 2 HB3 ALA 121 HB1 ALA 121 3.041 -4.369 0.582 3 HB1 ALA 121 HB2 ALA 121 1.279 -4.334 0.561 4 HB2 ALA 121 HB3 ALA 121 2.132 -5.053 1.927 5 H ALA 121 HN ALA 121 4.158 -3.427 2.462 No H/Q in entry = 5 In of MODEL 20 1 HA MET 122 HA MET 122 -0.615 -3.741 4.730 2 HB2 MET 122 HB2 MET 122 1.845 -4.349 6.323 3 HG2 MET 122 HG2 MET 122 0.471 -5.990 4.824 4 HE3 MET 122 HE1 MET 122 -2.000 -4.160 5.959 5 HE2 MET 122 HE2 MET 122 -3.291 -5.358 5.877 6 HE1 MET 122 HE3 MET 122 -2.113 -5.243 4.571 7 H MET 122 HN MET 122 2.167 -3.855 4.185 8 HB3 MET 122 HB1 MET 122 0.305 -4.155 7.147 9 HG3 MET 122 HG1 MET 122 1.166 -6.502 6.360 No H/Q in entry = 9 In of MODEL 20 1 HA GLN 123 HA GLN 123 0.625 -0.011 7.293 2 HB2 GLN 123 HB2 GLN 123 2.941 0.070 7.705 3 HG2 GLN 123 HG2 GLN 123 2.586 2.470 5.934 4 HE21 GLN 123 HE21 GLN 123 4.992 0.913 6.470 5 HE22 GLN 123 HE22 GLN 123 6.070 1.975 7.304 6 H GLN 123 HN GLN 123 2.136 -1.705 5.602 7 HB3 GLN 123 HB1 GLN 123 3.335 0.185 5.997 8 HG3 GLN 123 HG1 GLN 123 2.037 2.369 7.598 No H/Q in entry = 8 In of MODEL 20 1 HA LEU 124 HA LEU 124 0.394 2.778 3.583 2 HB2 LEU 124 HB2 LEU 124 0.803 0.606 1.518 3 HG LEU 124 HG LEU 124 2.853 1.604 2.691 4 HD12 LEU 124 HD11 LEU 124 4.096 1.763 0.580 5 HD11 LEU 124 HD12 LEU 124 2.575 1.862 -0.308 6 HD13 LEU 124 HD13 LEU 124 2.986 0.393 0.578 7 HD23 LEU 124 HD21 LEU 124 3.569 3.793 1.861 8 HD22 LEU 124 HD22 LEU 124 2.074 3.904 2.788 9 HD21 LEU 124 HD23 LEU 124 2.026 3.979 1.028 10 H LEU 124 HN LEU 124 1.476 0.221 3.873 11 HB3 LEU 124 HB1 LEU 124 0.369 2.260 1.120 No H/Q in entry = 11 In of MODEL 20 1 HA LEU 125 HA LEU 125 -3.620 0.397 2.457 2 HB2 LEU 125 HB2 LEU 125 -2.577 -1.952 4.006 3 HG LEU 125 HG LEU 125 -2.430 -1.959 1.495 4 HD13 LEU 125 HD11 LEU 125 -3.214 -4.254 1.316 5 HD12 LEU 125 HD12 LEU 125 -4.161 -4.061 2.786 6 HD11 LEU 125 HD13 LEU 125 -2.400 -3.995 2.858 7 HD23 LEU 125 HD21 LEU 125 -5.433 -2.175 1.738 8 HD22 LEU 125 HD22 LEU 125 -4.498 -2.405 0.258 9 HD21 LEU 125 HD23 LEU 125 -4.552 -0.818 1.031 10 H LEU 125 HN LEU 125 -1.062 -0.398 3.454 11 HB3 LEU 125 HB1 LEU 125 -4.308 -1.724 3.844 No H/Q in entry = 11 In of MODEL 20 1 HA THR 126 HA THR 126 -4.422 0.644 7.158 2 HB THR 126 HB THR 126 -1.545 1.357 7.759 3 HG1 THR 126 HG1 THR 126 -1.861 -0.878 7.456 4 HG22 THR 126 HG21 THR 126 -2.242 1.340 10.120 5 HG21 THR 126 HG22 THR 126 -3.919 1.130 9.613 6 HG23 THR 126 HG23 THR 126 -3.050 2.610 9.201 7 H THR 126 HN THR 126 -2.118 0.209 5.611 No H/Q in entry = 7 In of MODEL 20 1 HA ALA 127 HA ALA 127 -2.922 5.187 7.042 2 HB3 ALA 127 HB1 ALA 127 -1.268 4.875 4.543 3 HB1 ALA 127 HB2 ALA 127 -0.654 4.919 6.196 4 HB2 ALA 127 HB3 ALA 127 -1.433 6.343 5.506 5 H ALA 127 HN ALA 127 -1.954 2.839 5.876 No H/Q in entry = 5 In of MODEL 20 1 HA GLU 128 HA GLU 128 -4.804 6.046 2.726 2 HB2 GLU 128 HB2 GLU 128 -3.915 4.090 1.409 3 HG2 GLU 128 HG2 GLU 128 -5.846 4.012 -0.217 4 H GLU 128 HN GLU 128 -3.436 3.843 3.762 5 HB3 GLU 128 HB1 GLU 128 -5.332 3.186 1.919 6 HG3 GLU 128 HG1 GLU 128 -6.720 5.036 0.915 No H/Q in entry = 6 In of MODEL 20 1 HA ILE 129 HA ILE 129 -8.715 3.729 4.249 2 HB ILE 129 HB ILE 129 -7.162 2.459 6.508 3 HD13 ILE 129 HD11 ILE 129 -7.768 -0.831 4.847 4 HD12 ILE 129 HD12 ILE 129 -8.700 -0.205 6.210 5 HD11 ILE 129 HD13 ILE 129 -6.940 -0.067 6.204 6 H ILE 129 HN ILE 129 -5.981 3.231 4.453 No H/Q in entry = 6 In of MODEL 20 1 HA GLU 130 HA GLU 130 -7.967 6.371 8.223 2 HB2 GLU 130 HB2 GLU 130 -5.141 6.868 7.319 3 HG2 GLU 130 HG2 GLU 130 -6.302 5.684 9.821 4 H GLU 130 HN GLU 130 -6.304 4.966 6.483 5 HB3 GLU 130 HB1 GLU 130 -5.921 7.830 8.558 6 HG3 GLU 130 HG1 GLU 130 -5.230 4.912 8.649 No H/Q in entry = 6 In of MODEL 20 1 HA LYS 131 HA LYS 131 -7.231 10.062 5.163 2 HB2 LYS 131 HB2 LYS 131 -6.888 8.132 2.882 3 HG2 LYS 131 HG2 LYS 131 -5.106 9.757 2.208 4 HD2 LYS 131 HD2 LYS 131 -4.511 8.710 4.939 5 HE2 LYS 131 HE2 LYS 131 -2.717 9.758 3.641 6 HZ2 LYS 131 HZ1 LYS 131 -3.325 9.370 1.410 7 HZ1 LYS 131 HZ2 LYS 131 -3.438 7.693 1.632 8 HZ3 LYS 131 HZ3 LYS 131 -1.922 8.451 1.662 9 H LYS 131 HN LYS 131 -6.524 7.358 5.108 10 HB3 LYS 131 HB1 LYS 131 -7.420 9.776 2.586 11 HG3 LYS 131 HG1 LYS 131 -5.328 10.538 3.776 12 HD3 LYS 131 HD1 LYS 131 -4.822 7.597 3.607 13 HE3 LYS 131 HE1 LYS 131 -2.426 8.039 3.902 No H/Q in entry = 13 In of MODEL 20 1 HA ILE 132 HA ILE 132 -11.292 8.807 3.037 2 HB ILE 132 HB ILE 132 -11.424 5.909 3.815 3 HD12 ILE 132 HD11 ILE 132 -11.487 5.102 0.719 4 HD11 ILE 132 HD12 ILE 132 -10.692 4.197 2.008 5 HD13 ILE 132 HD13 ILE 132 -9.754 4.780 0.632 6 H ILE 132 HN ILE 132 -9.042 7.305 3.866 No H/Q in entry = 6 In of MODEL 20 1 HA GLN 133 HA GLN 133 -13.008 7.425 7.240 2 HB2 GLN 133 HB2 GLN 133 -10.282 6.947 8.441 3 HG2 GLN 133 HG2 GLN 133 -11.172 5.142 6.979 4 HE21 GLN 133 HE21 GLN 133 -12.320 2.952 8.514 5 HE22 GLN 133 HE22 GLN 133 -14.032 3.163 8.434 6 H GLN 133 HN GLN 133 -10.425 7.216 6.036 7 HB3 GLN 133 HB1 GLN 133 -11.781 6.880 9.352 8 HG3 GLN 133 HG1 GLN 133 -10.899 4.672 8.652 No H/Q in entry = 8 In of MODEL 20 1 HA LYS 134 HA LYS 134 -11.044 11.190 9.336 2 HB2 LYS 134 HB2 LYS 134 -8.942 11.768 7.242 3 HG2 LYS 134 HG2 LYS 134 -8.529 10.622 9.987 4 HD2 LYS 134 HD2 LYS 134 -6.694 11.650 7.850 5 HE2 LYS 134 HE2 LYS 134 -5.916 9.395 8.342 6 HZ2 LYS 134 HZ1 LYS 134 -5.208 8.790 10.555 7 HZ1 LYS 134 HZ2 LYS 134 -6.872 9.108 10.549 8 HZ3 LYS 134 HZ3 LYS 134 -5.793 10.256 11.181 9 H LYS 134 HN LYS 134 -10.112 9.434 7.261 10 HB3 LYS 134 HB1 LYS 134 -9.174 12.619 8.760 11 HG3 LYS 134 HG1 LYS 134 -8.315 9.756 8.461 12 HD3 LYS 134 HD1 LYS 134 -6.706 12.037 9.569 13 HE3 LYS 134 HE1 LYS 134 -4.815 10.600 9.002 No H/Q in entry = 13 In of MODEL 20 1 HA3 GLY 135 HA2 GLY 135 -11.935 13.864 5.605 2 H GLY 135 HN GLY 135 -11.280 11.081 5.863 3 HA2 GLY 135 HA1 GLY 135 -11.932 12.664 4.323 No H/Q in entry = 3 In of MODEL 20 1 H1 GLY 95 HT3 GLY 95 9.305 4.398 10.712 2 H2 GLY 95 HT2 GLY 95 9.496 2.715 10.755 3 H3 GLY 95 HT1 GLY 95 8.095 3.418 11.390 4 HA2 GLY 95 HA2 GLY 95 9.661 2.716 13.131 5 HA3 GLY 95 HA1 GLY 95 9.318 4.441 13.156 No H/Q in entry = 5 In of MODEL 20 1 HA ALA 96 HA ALA 96 13.435 5.494 12.946 2 HB3 ALA 96 HB1 ALA 96 13.079 5.878 15.334 3 HB2 ALA 96 HB2 ALA 96 14.746 5.407 14.999 4 HB1 ALA 96 HB3 ALA 96 13.617 4.235 15.680 5 H ALA 96 HN ALA 96 11.413 4.235 14.436 No H/Q in entry = 5 In of MODEL 20 1 HA MET 97 HA MET 97 15.644 1.331 13.221 2 HB2 MET 97 HB2 MET 97 13.121 -0.293 13.544 3 HG2 MET 97 HG2 MET 97 15.451 0.102 15.404 4 HE3 MET 97 HE1 MET 97 11.713 -2.512 16.115 5 HE2 MET 97 HE2 MET 97 12.045 -1.695 14.588 6 HE1 MET 97 HE3 MET 97 11.671 -0.750 16.028 7 H MET 97 HN MET 97 12.967 2.133 13.847 8 HB3 MET 97 HB1 MET 97 14.724 -0.985 13.336 9 HG3 MET 97 HG1 MET 97 13.829 0.763 15.616 No H/Q in entry = 9 In of MODEL 20 1 HA GLU 98 HA GLU 98 13.660 0.346 9.138 2 HB2 GLU 98 HB2 GLU 98 11.279 0.894 9.847 3 HG2 GLU 98 HG2 GLU 98 11.728 1.722 7.008 4 H GLU 98 HN GLU 98 12.981 2.113 11.351 5 HB3 GLU 98 HB1 GLU 98 11.551 2.507 9.209 6 HG3 GLU 98 HG1 GLU 98 11.915 0.049 7.536 No H/Q in entry = 6 In of MODEL 20 1 HA PRO 99 HA PRO 99 16.480 3.387 7.609 2 HB2 PRO 99 HB2 PRO 99 17.134 2.191 5.299 3 HG2 PRO 99 HG2 PRO 99 15.303 0.762 5.119 4 HD2 PRO 99 HD2 PRO 99 14.039 0.162 6.961 5 HB3 PRO 99 HB1 PRO 99 17.623 1.515 6.860 6 HG3 PRO 99 HG1 PRO 99 16.491 -0.296 5.908 7 HD3 PRO 99 HD1 PRO 99 15.470 -0.111 7.973 No H/Q in entry = 7 In of MODEL 20 1 HA GLU 100 HA GLU 100 14.060 5.830 5.144 2 HB2 GLU 100 HB2 GLU 100 15.604 7.371 6.302 3 HG2 GLU 100 HG2 GLU 100 15.139 8.325 3.492 4 H GLU 100 HN GLU 100 16.635 4.994 6.084 5 HB3 GLU 100 HB1 GLU 100 16.705 7.262 4.935 6 HG3 GLU 100 HG1 GLU 100 13.870 8.240 4.711 No H/Q in entry = 6 In of MODEL 20 1 HA ASN 101 HA ASN 101 15.997 5.513 0.955 2 HB2 ASN 101 HB2 ASN 101 18.338 6.107 1.395 3 HD21 ASN 101 HD21 ASN 101 18.033 6.732 -0.725 4 HD22 ASN 101 HD22 ASN 101 18.486 5.722 -2.058 5 H ASN 101 HN ASN 101 17.131 4.928 3.563 6 HB3 ASN 101 HB1 ASN 101 18.706 4.427 1.767 No H/Q in entry = 6 In of MODEL 20 1 HA LYS 102 HA LYS 102 16.806 0.761 0.822 2 HB2 LYS 102 HB2 LYS 102 18.130 0.690 3.083 3 HG2 LYS 102 HG2 LYS 102 16.616 -1.600 1.881 4 HD2 LYS 102 HD2 LYS 102 18.538 -2.858 3.244 5 HE2 LYS 102 HE2 LYS 102 16.804 -3.295 5.030 6 HZ3 LYS 102 HZ1 LYS 102 15.150 -4.225 3.390 7 HZ2 LYS 102 HZ2 LYS 102 16.758 -4.722 3.180 8 HZ1 LYS 102 HZ3 LYS 102 16.103 -3.545 2.158 9 H LYS 102 HN LYS 102 17.412 2.741 2.651 10 HB3 LYS 102 HB1 LYS 102 16.590 0.159 3.742 11 HG3 LYS 102 HG1 LYS 102 18.325 -1.193 1.711 12 HD3 LYS 102 HD1 LYS 102 18.231 -1.529 4.363 13 HE3 LYS 102 HE1 LYS 102 15.781 -2.123 4.204 No H/Q in entry = 13 In of MODEL 20 1 HA TYR 103 HA TYR 103 12.410 0.876 2.852 2 HB2 TYR 103 HB2 TYR 103 12.497 3.115 3.810 3 HD1 TYR 103 HD1 TYR 103 10.326 1.512 4.139 4 HD2 TYR 103 HD2 TYR 103 10.638 4.798 1.465 5 HE1 TYR 103 HE1 TYR 103 7.881 1.776 4.192 6 HE2 TYR 103 HE2 TYR 103 8.196 5.072 1.492 7 HH TYR 103 HH TYR 103 6.212 3.964 2.051 8 H TYR 103 HN TYR 103 14.586 2.607 2.527 9 HB3 TYR 103 HB1 TYR 103 12.556 3.833 2.209 No H/Q in entry = 9 In of MODEL 20 1 HA LEU 104 HA LEU 104 11.605 2.162 -1.713 2 HB2 LEU 104 HB2 LEU 104 13.371 3.748 -2.122 3 HG LEU 104 HG LEU 104 13.545 1.642 -4.275 4 HD13 LEU 104 HD11 LEU 104 11.257 2.315 -3.919 5 HD12 LEU 104 HD12 LEU 104 11.857 3.033 -5.414 6 HD11 LEU 104 HD13 LEU 104 11.718 4.015 -3.956 7 HD21 LEU 104 HD21 LEU 104 14.224 4.580 -4.295 8 HD23 LEU 104 HD22 LEU 104 14.241 3.509 -5.698 9 HD22 LEU 104 HD23 LEU 104 15.373 3.246 -4.370 10 H LEU 104 HN LEU 104 13.804 2.416 0.048 11 HB3 LEU 104 HB1 LEU 104 14.564 2.469 -2.200 No H/Q in entry = 11 In of MODEL 20 1 HA PRO 105 HA PRO 105 13.791 -1.884 -3.335 2 HB2 PRO 105 HB2 PRO 105 15.537 -3.065 -1.576 3 HG2 PRO 105 HG2 PRO 105 15.571 -1.340 -0.012 4 HD2 PRO 105 HD2 PRO 105 14.991 0.856 -0.565 5 HB3 PRO 105 HB1 PRO 105 16.040 -2.002 -2.898 6 HG3 PRO 105 HG1 PRO 105 16.938 -0.880 -1.051 7 HD3 PRO 105 HD1 PRO 105 15.679 0.722 -2.200 No H/Q in entry = 7 In of MODEL 20 1 HA GLU 106 HA GLU 106 12.072 -3.852 0.760 2 HB2 GLU 106 HB2 GLU 106 11.497 -1.042 1.671 3 HG2 GLU 106 HG2 GLU 106 13.657 -2.268 2.313 4 H GLU 106 HN GLU 106 13.163 -1.368 0.089 5 HB3 GLU 106 HB1 GLU 106 10.672 -2.431 2.357 6 HG3 GLU 106 HG1 GLU 106 12.705 -1.492 3.579 No H/Q in entry = 6 In of MODEL 20 1 HA LEU 107 HA LEU 107 7.949 -1.878 -0.754 2 HB2 LEU 107 HB2 LEU 107 9.410 0.242 -2.316 3 HG LEU 107 HG LEU 107 9.156 0.725 0.122 4 HD11 LEU 107 HD11 LEU 107 9.282 2.510 -1.542 5 HD13 LEU 107 HD12 LEU 107 8.219 2.949 -0.205 6 HD12 LEU 107 HD13 LEU 107 7.533 2.442 -1.750 7 HD22 LEU 107 HD21 LEU 107 7.082 -0.476 0.513 8 HD21 LEU 107 HD22 LEU 107 6.224 0.628 -0.564 9 HD23 LEU 107 HD23 LEU 107 6.906 1.223 0.951 10 H LEU 107 HN LEU 107 10.623 -0.942 -0.610 11 HB3 LEU 107 HB1 LEU 107 7.680 -0.029 -2.395 No H/Q in entry = 11 In of MODEL 20 1 HA MET 108 HA MET 108 9.133 -2.859 -5.292 2 HB2 MET 108 HB2 MET 108 11.146 -3.070 -6.423 3 HG2 MET 108 HG2 MET 108 12.616 -3.070 -3.806 4 HE2 MET 108 HE1 MET 108 14.439 -2.980 -8.048 5 HE1 MET 108 HE2 MET 108 12.716 -2.792 -7.724 6 HE3 MET 108 HE3 MET 108 13.507 -4.341 -7.426 7 H MET 108 HN MET 108 10.604 -1.790 -3.107 8 HB3 MET 108 HB1 MET 108 11.348 -1.662 -5.399 9 HG3 MET 108 HG1 MET 108 12.476 -4.413 -4.937 No H/Q in entry = 9 In of MODEL 20 1 HA ALA 109 HA ALA 109 10.794 -7.007 -3.753 2 HB1 ALA 109 HB1 ALA 109 12.449 -6.417 -2.054 3 HB2 ALA 109 HB2 ALA 109 11.463 -7.780 -1.522 4 HB3 ALA 109 HB3 ALA 109 11.161 -6.166 -0.875 5 H ALA 109 HN ALA 109 10.917 -4.391 -2.650 No H/Q in entry = 5 In of MODEL 20 1 HA GLU 110 HA GLU 110 7.007 -7.516 -0.941 2 HB2 GLU 110 HB2 GLU 110 6.660 -4.547 -0.480 3 HG2 GLU 110 HG2 GLU 110 7.161 -6.800 1.450 4 H GLU 110 HN GLU 110 8.805 -5.329 -1.336 5 HB3 GLU 110 HB1 GLU 110 5.472 -5.752 -0.010 6 HG3 GLU 110 HG1 GLU 110 8.287 -5.514 1.019 No H/Q in entry = 6 In of MODEL 20 1 HA LYS 111 HA LYS 111 4.547 -4.901 -4.184 2 HB2 LYS 111 HB2 LYS 111 5.683 -2.953 -4.720 3 HG2 LYS 111 HG2 LYS 111 6.085 -4.687 -7.144 4 HD2 LYS 111 HD2 LYS 111 5.933 -1.687 -7.034 5 HE2 LYS 111 HE2 LYS 111 5.363 -2.504 -9.177 6 HZ2 LYS 111 HZ1 LYS 111 6.043 -4.748 -9.122 7 HZ1 LYS 111 HZ2 LYS 111 7.670 -4.350 -8.868 8 HZ3 LYS 111 HZ3 LYS 111 6.943 -4.031 -10.366 9 H LYS 111 HN LYS 111 7.071 -4.696 -3.020 10 HB3 LYS 111 HB1 LYS 111 7.170 -3.803 -5.101 11 HG3 LYS 111 HG1 LYS 111 4.680 -3.673 -6.780 12 HD3 LYS 111 HD1 LYS 111 7.461 -2.563 -7.024 13 HE3 LYS 111 HE1 LYS 111 7.037 -1.958 -9.273 No H/Q in entry = 13 In of MODEL 20 1 HA ASP 112 HA ASP 112 6.230 -7.643 -7.486 2 HB2 ASP 112 HB2 ASP 112 9.063 -7.536 -6.558 3 H ASP 112 HN ASP 112 7.591 -6.397 -5.266 4 HB3 ASP 112 HB1 ASP 112 8.584 -8.781 -7.709 No H/Q in entry = 4 In of MODEL 20 1 HA SER 113 HA SER 113 6.337 -11.306 -4.803 2 HB2 SER 113 HB2 SER 113 6.810 -9.854 -2.195 3 HG SER 113 HG SER 113 8.711 -9.760 -3.161 4 H SER 113 HN SER 113 6.551 -8.429 -4.260 5 HB3 SER 113 HB1 SER 113 6.761 -11.606 -2.396 No H/Q in entry = 5 In of MODEL 20 1 HA LEU 114 HA LEU 114 2.519 -9.871 -2.298 2 HB2 LEU 114 HB2 LEU 114 3.181 -7.379 -2.468 3 HG LEU 114 HG LEU 114 0.317 -8.269 -2.259 4 HD13 LEU 114 HD11 LEU 114 1.766 -8.822 -0.391 5 HD12 LEU 114 HD12 LEU 114 0.618 -7.567 0.082 6 HD11 LEU 114 HD13 LEU 114 2.292 -7.142 -0.272 7 HD21 LEU 114 HD21 LEU 114 0.370 -6.014 -3.249 8 HD23 LEU 114 HD22 LEU 114 1.320 -5.460 -1.873 9 HD22 LEU 114 HD23 LEU 114 -0.329 -6.042 -1.631 10 H LEU 114 HN LEU 114 4.512 -8.578 -3.857 11 HB3 LEU 114 HB1 LEU 114 2.121 -7.338 -3.861 No H/Q in entry = 11 In of MODEL 20 1 HA ASP 115 HA ASP 115 0.245 -11.623 -5.524 2 HB2 ASP 115 HB2 ASP 115 -0.554 -12.796 -3.460 3 H ASP 115 HN ASP 115 0.485 -10.566 -2.878 4 HB3 ASP 115 HB1 ASP 115 -1.828 -11.590 -3.320 No H/Q in entry = 4 In of MODEL 20 1 HA PRO 116 HA PRO 116 -1.599 -8.143 -7.447 2 HB2 PRO 116 HB2 PRO 116 -2.810 -9.414 -9.542 3 HG2 PRO 116 HG2 PRO 116 -2.574 -11.602 -8.776 4 HD2 PRO 116 HD2 PRO 116 -1.015 -12.177 -7.148 5 HB3 PRO 116 HB1 PRO 116 -1.072 -9.096 -9.458 6 HG3 PRO 116 HG1 PRO 116 -1.075 -11.415 -9.711 7 HD3 PRO 116 HD1 PRO 116 0.216 -11.078 -7.807 No H/Q in entry = 7 In of MODEL 20 1 HA SER 117 HA SER 117 -6.077 -9.829 -7.001 2 HB2 SER 117 HB2 SER 117 -5.631 -12.099 -6.086 3 HG SER 117 HG SER 117 -7.723 -10.616 -5.634 4 H SER 117 HN SER 117 -3.527 -10.750 -6.237 5 HB3 SER 117 HB1 SER 117 -5.350 -11.379 -4.503 No H/Q in entry = 5 In of MODEL 20 1 HA PHE 118 HA PHE 118 -5.829 -7.062 -3.325 2 HB2 PHE 118 HB2 PHE 118 -2.852 -7.226 -2.795 3 HD1 PHE 118 HD1 PHE 118 -2.867 -9.705 -2.910 4 HD2 PHE 118 HD2 PHE 118 -5.298 -7.535 -0.177 5 HE1 PHE 118 HE1 PHE 118 -3.160 -11.735 -1.568 6 HE2 PHE 118 HE2 PHE 118 -5.593 -9.561 1.176 7 HZ PHE 118 HZ PHE 118 -4.528 -11.672 0.483 8 H PHE 118 HN PHE 118 -3.833 -8.752 -4.617 9 HB3 PHE 118 HB1 PHE 118 -4.042 -6.393 -1.807 No H/Q in entry = 9 In of MODEL 20 1 HA THR 119 HA THR 119 -4.429 -4.680 -6.881 2 HB THR 119 HB THR 119 -7.295 -3.945 -6.317 3 HG1 THR 119 HG1 THR 119 -6.340 -6.006 -7.483 4 HG22 THR 119 HG21 THR 119 -7.230 -2.678 -8.425 5 HG21 THR 119 HG22 THR 119 -5.490 -2.953 -8.525 6 HG23 THR 119 HG23 THR 119 -6.157 -1.987 -7.205 7 H THR 119 HN THR 119 -6.323 -5.832 -5.166 No H/Q in entry = 7 In of MODEL 20 1 HA HIS 120 HA HIS 120 -5.137 -0.691 -4.500 2 HB2 HIS 120 HB2 HIS 120 -6.267 -1.894 -1.977 3 HD1 HIS 120 HD1 HIS 120 -7.472 0.225 -4.928 4 HD2 HIS 120 HD2 HIS 120 -8.787 -2.699 -2.297 5 HE1 HIS 120 HE1 HIS 120 -9.781 -0.379 -5.697 6 HE2 HIS 120 HE2 HIS 120 -10.461 -2.319 -4.235 7 H HIS 120 HN HIS 120 -6.110 -3.344 -4.059 8 HB3 HIS 120 HB1 HIS 120 -6.147 -0.182 -2.352 No H/Q in entry = 8 In of MODEL 20 1 HA ALA 121 HA ALA 121 -2.114 -2.114 -0.986 2 HB3 ALA 121 HB1 ALA 121 -3.150 -4.317 -0.445 3 HB2 ALA 121 HB2 ALA 121 -1.387 -4.311 -0.428 4 HB1 ALA 121 HB3 ALA 121 -2.255 -5.004 -1.799 5 H ALA 121 HN ALA 121 -4.254 -3.333 -2.315 No H/Q in entry = 5 In of MODEL 20 1 HA MET 122 HA MET 122 0.516 -3.717 -4.594 2 HB2 MET 122 HB2 MET 122 -1.956 -4.266 -6.188 3 HG2 MET 122 HG2 MET 122 -0.610 -5.947 -4.706 4 HE3 MET 122 HE1 MET 122 1.887 -4.153 -5.829 5 HE2 MET 122 HE2 MET 122 3.157 -5.374 -5.765 6 HE1 MET 122 HE3 MET 122 1.985 -5.252 -4.452 7 H MET 122 HN MET 122 -2.268 -3.785 -4.048 8 HB3 MET 122 HB1 MET 122 -0.414 -4.093 -7.013 9 HG3 MET 122 HG1 MET 122 -1.321 -6.430 -6.244 No H/Q in entry = 9 In of MODEL 20 1 HA GLN 123 HA GLN 123 -0.659 0.059 -7.117 2 HB2 GLN 123 HB2 GLN 123 -2.975 0.188 -7.526 3 HG2 GLN 123 HG2 GLN 123 -2.571 2.561 -5.727 4 HE21 GLN 123 HE21 GLN 123 -5.002 1.056 -6.298 5 HE22 GLN 123 HE22 GLN 123 -6.062 2.159 -7.101 6 H GLN 123 HN GLN 123 -2.198 -1.625 -5.439 7 HB3 GLN 123 HB1 GLN 123 -3.364 0.294 -5.815 8 HG3 GLN 123 HG1 GLN 123 -2.021 2.469 -7.392 No H/Q in entry = 8 In of MODEL 20 1 HA LEU 124 HA LEU 124 -0.374 2.802 -3.381 2 HB2 LEU 124 HB2 LEU 124 -0.818 0.624 -1.332 3 HG LEU 124 HG LEU 124 -2.847 1.671 -2.498 4 HD12 LEU 124 HD11 LEU 124 -4.091 1.828 -0.390 5 HD11 LEU 124 HD12 LEU 124 -2.571 1.890 0.503 6 HD13 LEU 124 HD13 LEU 124 -3.004 0.439 -0.401 7 HD23 LEU 124 HD21 LEU 124 -3.527 3.864 -1.649 8 HD22 LEU 124 HD22 LEU 124 -2.028 3.958 -2.575 9 HD21 LEU 124 HD23 LEU 124 -1.981 4.019 -0.812 10 H LEU 124 HN LEU 124 -1.504 0.267 -3.692 11 HB3 LEU 124 HB1 LEU 124 -0.355 2.267 -0.922 No H/Q in entry = 11 In of MODEL 20 1 HA LEU 125 HA LEU 125 3.600 0.341 -2.281 2 HB2 LEU 125 HB2 LEU 125 2.513 -1.975 -3.851 3 HG LEU 125 HG LEU 125 2.366 -2.002 -1.339 4 HD13 LEU 125 HD11 LEU 125 3.110 -4.313 -1.186 5 HD12 LEU 125 HD12 LEU 125 4.059 -4.119 -2.654 6 HD11 LEU 125 HD13 LEU 125 2.299 -4.023 -2.724 7 HD21 LEU 125 HD21 LEU 125 5.363 -2.267 -1.591 8 HD23 LEU 125 HD22 LEU 125 4.424 -2.498 -0.113 9 HD22 LEU 125 HD23 LEU 125 4.503 -0.904 -0.868 10 H LEU 125 HN LEU 125 1.026 -0.400 -3.284 11 HB3 LEU 125 HB1 LEU 125 4.245 -1.779 -3.688 No H/Q in entry = 11 In of MODEL 20 1 HA THR 126 HA THR 126 4.399 0.618 -6.982 2 HB THR 126 HB THR 126 1.533 1.386 -7.573 3 HG1 THR 126 HG1 THR 126 1.816 -0.851 -7.267 4 HG22 THR 126 HG21 THR 126 2.227 1.368 -9.936 5 HG21 THR 126 HG22 THR 126 3.901 1.127 -9.433 6 HG23 THR 126 HG23 THR 126 3.059 2.620 -9.014 7 H THR 126 HN THR 126 2.089 0.213 -5.432 No H/Q in entry = 7 In of MODEL 20 1 HA ALA 127 HA ALA 127 2.986 5.181 -6.822 2 HB1 ALA 127 HB1 ALA 127 1.332 4.879 -4.327 3 HB3 ALA 127 HB2 ALA 127 0.717 4.950 -5.979 4 HB2 ALA 127 HB3 ALA 127 1.527 6.352 -5.278 5 H ALA 127 HN ALA 127 1.974 2.844 -5.671 No H/Q in entry = 5 In of MODEL 20 1 HA GLU 128 HA GLU 128 4.882 5.968 -2.496 2 HB2 GLU 128 HB2 GLU 128 3.964 4.013 -1.197 3 HG2 GLU 128 HG2 GLU 128 5.892 3.885 0.425 4 H GLU 128 HN GLU 128 3.470 3.808 -3.546 5 HB3 GLU 128 HB1 GLU 128 5.364 3.092 -1.721 6 HG3 GLU 128 HG1 GLU 128 6.783 4.907 -0.698 No H/Q in entry = 6 In of MODEL 20 1 HA ILE 129 HA ILE 129 8.752 3.592 -4.043 2 HB ILE 129 HB ILE 129 7.170 2.376 -6.310 3 HD13 ILE 129 HD11 ILE 129 7.717 -0.944 -4.683 4 HD12 ILE 129 HD12 ILE 129 8.662 -0.320 -6.039 5 HD11 ILE 129 HD13 ILE 129 6.906 -0.149 -6.032 6 H ILE 129 HN ILE 129 6.010 3.152 -4.253 No H/Q in entry = 6 In of MODEL 20 1 HA GLU 130 HA GLU 130 8.054 6.287 -7.996 2 HB2 GLU 130 HB2 GLU 130 5.238 6.831 -7.082 3 HG2 GLU 130 HG2 GLU 130 6.380 5.643 -9.589 4 H GLU 130 HN GLU 130 6.367 4.888 -6.273 5 HB3 GLU 130 HB1 GLU 130 6.035 7.785 -8.317 6 HG3 GLU 130 HG1 GLU 130 5.299 4.882 -8.418 No H/Q in entry = 6 In of MODEL 20 1 HA LYS 131 HA LYS 131 7.386 9.959 -4.901 2 HB2 LYS 131 HB2 LYS 131 7.014 8.018 -2.634 3 HG2 LYS 131 HG2 LYS 131 5.258 9.665 -1.947 4 HD2 LYS 131 HD2 LYS 131 4.641 8.662 -4.689 5 HE2 LYS 131 HE2 LYS 131 2.873 9.729 -3.371 6 HZ2 LYS 131 HZ1 LYS 131 3.478 9.304 -1.148 7 HZ1 LYS 131 HZ2 LYS 131 3.551 7.628 -1.385 8 HZ3 LYS 131 HZ3 LYS 131 2.049 8.425 -1.405 9 H LYS 131 HN LYS 131 6.620 7.272 -4.872 10 HB3 LYS 131 HB1 LYS 131 7.573 9.652 -2.330 11 HG3 LYS 131 HG1 LYS 131 5.496 10.459 -3.503 12 HD3 LYS 131 HD1 LYS 131 4.932 7.528 -3.369 13 HE3 LYS 131 HE1 LYS 131 2.546 8.020 -3.654 No H/Q in entry = 13 In of MODEL 20 1 HA ILE 132 HA ILE 132 11.426 8.611 -2.791 2 HB ILE 132 HB ILE 132 11.502 5.719 -3.594 3 HD12 ILE 132 HD11 ILE 132 11.551 4.883 -0.509 4 HD11 ILE 132 HD12 ILE 132 10.737 4.005 -1.804 5 HD13 ILE 132 HD13 ILE 132 9.814 4.592 -0.419 6 H ILE 132 HN ILE 132 9.147 7.156 -3.632 No H/Q in entry = 6 In of MODEL 20 1 HA GLN 133 HA GLN 133 13.112 7.237 -7.010 2 HB2 GLN 133 HB2 GLN 133 10.374 6.823 -8.209 3 HG2 GLN 133 HG2 GLN 133 11.234 4.987 -6.771 4 HE21 GLN 133 HE21 GLN 133 12.328 2.800 -8.328 5 HE22 GLN 133 HE22 GLN 133 14.046 2.962 -8.248 6 H GLN 133 HN GLN 133 10.527 7.064 -5.804 7 HB3 GLN 133 HB1 GLN 133 11.869 6.740 -9.125 8 HG3 GLN 133 HG1 GLN 133 10.952 4.541 -8.449 No H/Q in entry = 8 In of MODEL 20 1 HA LYS 134 HA LYS 134 11.217 11.056 -9.060 2 HB2 LYS 134 HB2 LYS 134 9.124 11.661 -6.965 3 HG2 LYS 134 HG2 LYS 134 8.685 10.537 -9.717 4 HD2 LYS 134 HD2 LYS 134 6.872 11.591 -7.572 5 HE2 LYS 134 HE2 LYS 134 6.052 9.351 -8.079 6 HZ2 LYS 134 HZ1 LYS 134 5.337 8.766 -10.293 7 HZ1 LYS 134 HZ2 LYS 134 7.005 9.077 -10.293 8 HZ3 LYS 134 HZ3 LYS 134 5.930 10.230 -10.913 9 H LYS 134 HN LYS 134 10.245 9.294 -7.014 10 HB3 LYS 134 HB1 LYS 134 9.373 12.515 -8.478 11 HG3 LYS 134 HG1 LYS 134 8.455 9.669 -8.197 12 HD3 LYS 134 HD1 LYS 134 6.894 11.987 -9.290 13 HE3 LYS 134 HE1 LYS 134 4.972 10.582 -8.729 No H/Q in entry = 13 In of MODEL 20 1 HA3 GLY 135 HA2 GLY 135 12.167 13.682 -5.308 2 H GLY 135 HN GLY 135 11.461 10.914 -5.591 3 HA2 GLY 135 HA1 GLY 135 12.149 12.472 -4.035 No H/Q in entry = 3
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