NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596976 | 2n5r | 25726 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H VAL 1 10.393 -3.743 -1.962 2 HA VAL 1 HA VAL 1 11.522 -1.197 -2.442 3 HB VAL 1 HB VAL 1 12.511 -3.396 -2.971 4 HG11 VAL 1 HG21 VAL 1 12.148 -4.522 -5.032 5 HG12 VAL 1 HG22 VAL 1 10.561 -4.358 -4.263 6 HG13 VAL 1 HG23 VAL 1 11.013 -3.288 -5.609 7 HG21 VAL 1 HG11 VAL 1 13.521 -1.296 -3.731 8 HG22 VAL 1 HG12 VAL 1 13.795 -2.617 -4.869 9 HG23 VAL 1 HG13 VAL 1 12.577 -1.380 -5.244 10 H ARG 2 H ARG 2 10.236 0.440 -2.699 11 HA ARG 2 HA ARG 2 8.361 1.653 -3.011 12 HB2 ARG 2 HB1 ARG 2 9.064 0.759 -5.743 13 HB3 ARG 2 HB2 ARG 2 7.381 1.186 -5.600 14 HG2 ARG 2 HG1 ARG 2 9.712 3.001 -4.842 15 HG3 ARG 2 HG2 ARG 2 8.751 3.073 -6.324 16 HD2 ARG 2 HD1 ARG 2 6.695 3.343 -4.800 17 HD3 ARG 2 HD2 ARG 2 7.835 3.686 -3.489 18 HE ARG 2 HE ARG 2 8.745 5.455 -5.228 19 HH11 ARG 2 HH12 ARG 2 5.397 4.825 -4.480 20 HH12 ARG 2 HH11 ARG 2 4.866 6.376 -5.089 21 HH21 ARG 2 HH22 ARG 2 8.014 7.422 -5.973 22 HH22 ARG 2 HH21 ARG 2 6.328 7.810 -5.913 23 H ARG 3 H ARG 3 8.092 -1.289 -2.249 24 HA ARG 3 HA ARG 3 5.277 -1.805 -2.753 25 HB2 ARG 3 HB1 ARG 3 7.438 -3.422 -2.573 26 HB3 ARG 3 HB2 ARG 3 6.942 -3.521 -0.907 27 HG2 ARG 3 HG1 ARG 3 5.867 -5.322 -1.801 28 HG3 ARG 3 HG2 ARG 3 4.590 -4.104 -1.839 29 HD2 ARG 3 HD1 ARG 3 4.943 -3.714 -4.219 30 HD3 ARG 3 HD2 ARG 3 6.244 -4.908 -4.229 31 HE ARG 3 HE ARG 3 4.650 -6.656 -3.650 32 HH11 ARG 3 HH12 ARG 3 3.162 -3.777 -4.952 33 HH12 ARG 3 HH11 ARG 3 1.692 -4.610 -5.373 34 HH21 ARG 3 HH22 ARG 3 2.724 -7.656 -4.186 35 HH22 ARG 3 HH21 ARG 3 1.450 -6.737 -4.915 36 H PHE 4 H PHE 4 6.041 -2.836 0.415 37 HA PHE 4 HA PHE 4 3.361 -2.199 0.924 38 HB2 PHE 4 HB1 PHE 4 5.346 -3.787 2.524 39 HB3 PHE 4 HB2 PHE 4 3.707 -3.522 3.060 40 HD1 PHE 4 HD1 PHE 4 3.145 -3.760 -0.356 41 HD2 PHE 4 HD2 PHE 4 4.147 -6.126 3.105 42 HE1 PHE 4 HE1 PHE 4 2.342 -5.765 -1.503 43 HE2 PHE 4 HE2 PHE 4 3.161 -8.114 1.998 44 HZ PHE 4 HZ PHE 4 2.289 -7.954 -0.318 45 H ASP 5 H ASP 5 4.048 0.164 0.852 46 HA ASP 5 HA ASP 5 2.105 0.552 3.035 47 HB2 ASP 5 HB1 ASP 5 2.071 2.882 2.730 48 HB3 ASP 5 HB2 ASP 5 3.739 2.441 3.166 49 H LEU 6 H LEU 6 3.032 0.835 -0.486 50 HA LEU 6 HA LEU 6 0.552 1.427 -1.374 51 HB2 LEU 6 HB1 LEU 6 1.407 1.257 -3.394 52 HB3 LEU 6 HB2 LEU 6 2.870 1.052 -2.485 53 HG LEU 6 HG LEU 6 3.152 -0.508 -4.074 54 HD11 LEU 6 HD21 LEU 6 2.905 -1.745 -1.725 55 HD12 LEU 6 HD22 LEU 6 1.547 -2.524 -2.516 56 HD13 LEU 6 HD23 LEU 6 3.160 -2.634 -3.235 57 HD21 LEU 6 HD11 LEU 6 1.526 -1.900 -5.168 58 HD22 LEU 6 HD12 LEU 6 0.956 -0.223 -5.188 59 HD23 LEU 6 HD13 LEU 6 0.246 -1.390 -4.052 60 H LEU 7 H LEU 7 0.756 -1.639 0.155 61 HA LEU 7 HA LEU 7 -1.987 -2.166 -0.915 62 HB2 LEU 7 HB1 LEU 7 -0.770 -3.924 1.175 63 HB3 LEU 7 HB2 LEU 7 -2.159 -4.199 0.135 64 HG LEU 7 HG LEU 7 0.750 -4.220 -0.619 65 HD11 LEU 7 HD21 LEU 7 -1.466 -6.336 -0.675 66 HD12 LEU 7 HD22 LEU 7 0.162 -6.593 -1.305 67 HD13 LEU 7 HD23 LEU 7 -0.074 -6.291 0.424 68 HD21 LEU 7 HD11 LEU 7 -1.514 -4.736 -2.568 69 HD22 LEU 7 HD12 LEU 7 -0.635 -3.203 -2.496 70 HD23 LEU 7 HD13 LEU 7 0.235 -4.686 -2.895 71 H LYS 8 H LYS 8 -0.453 -0.668 1.728 72 HA LYS 8 HA LYS 8 -2.903 -0.395 3.331 73 HB2 LYS 8 HB1 LYS 8 -0.418 1.334 3.619 74 HB3 LYS 8 HB2 LYS 8 -1.739 1.110 4.732 75 HG2 LYS 8 HG1 LYS 8 0.527 -0.785 4.073 76 HG3 LYS 8 HG2 LYS 8 0.082 -0.145 5.645 77 HD2 LYS 8 HD1 LYS 8 -1.751 -2.116 4.167 78 HD3 LYS 8 HD2 LYS 8 -0.381 -2.649 5.079 79 HE2 LYS 8 HE1 LYS 8 -2.641 -2.670 6.209 80 HE3 LYS 8 HE2 LYS 8 -1.294 -1.968 7.119 81 HZ1 LYS 8 HZ1 LYS 8 -2.096 0.203 6.647 82 HZ2 LYS 8 HZ2 LYS 8 -3.400 -0.639 7.183 83 HZ3 LYS 8 HZ3 LYS 8 -3.225 -0.318 5.577 84 H ARG 9 H ARG 9 -1.573 0.784 0.419 85 HA ARG 9 HA ARG 9 -3.515 3.029 0.238 86 HB2 ARG 9 HB1 ARG 9 -1.134 2.895 -0.792 87 HB3 ARG 9 HB2 ARG 9 -1.852 1.815 -1.976 88 HG2 ARG 9 HG1 ARG 9 -1.915 3.775 -3.084 89 HG3 ARG 9 HG2 ARG 9 -3.556 3.706 -2.448 90 HD2 ARG 9 HD1 ARG 9 -3.180 5.418 -0.907 91 HD3 ARG 9 HD2 ARG 9 -1.462 5.074 -0.749 92 HE ARG 9 HE ARG 9 -2.745 6.755 -2.793 93 HH11 ARG 9 HH12 ARG 9 0.289 5.297 -1.738 94 HH12 ARG 9 HH11 ARG 9 1.223 6.277 -2.801 95 HH21 ARG 9 HH22 ARG 9 -1.466 7.960 -4.150 96 HH22 ARG 9 HH21 ARG 9 0.248 7.715 -4.169 97 H ILE 10 H ILE 10 -3.419 -0.393 -0.987 98 HA ILE 10 HA ILE 10 -5.710 0.029 -2.672 99 HB ILE 10 HB ILE 10 -5.899 -2.281 -2.968 100 HG12 ILE 10 HG12 ILE 10 -3.973 -2.886 -0.726 101 HG13 ILE 10 HG13 ILE 10 -5.725 -3.026 -0.594 102 HG21 ILE 10 HG21 ILE 10 -4.185 -1.499 -4.292 103 HG22 ILE 10 HG22 ILE 10 -3.393 -2.866 -3.498 104 HG23 ILE 10 HG23 ILE 10 -3.075 -1.220 -2.955 105 HD11 ILE 10 HD11 ILE 10 -5.001 -5.180 -1.014 106 HD12 ILE 10 HD12 ILE 10 -3.825 -4.679 -2.241 107 HD13 ILE 10 HD13 ILE 10 -5.568 -4.622 -2.605 108 H LEU 11 H LEU 11 -5.572 -0.735 0.814 109 HA LEU 11 HA LEU 11 -8.373 -1.250 1.005 110 HB2 LEU 11 HB1 LEU 11 -8.085 -1.543 3.186 111 HB3 LEU 11 HB2 LEU 11 -6.438 -1.777 2.689 112 HG LEU 11 HG LEU 11 -7.048 1.063 3.472 113 HD11 LEU 11 HD21 LEU 11 -8.563 -0.120 5.024 114 HD12 LEU 11 HD22 LEU 11 -7.204 -1.116 5.588 115 HD13 LEU 11 HD23 LEU 11 -7.207 0.653 5.849 116 HD21 LEU 11 HD11 LEU 11 -5.006 -0.922 4.485 117 HD22 LEU 11 HD12 LEU 11 -4.860 0.160 3.077 118 HD23 LEU 11 HD13 LEU 11 -5.028 0.869 4.698 119 H LYS 12 H LYS 12 -7.067 1.651 0.156 120 HA LYS 12 HA LYS 12 -7.566 3.537 2.001 121 HB2 LYS 12 HB1 LYS 12 -7.449 5.209 0.243 122 HB3 LYS 12 HB2 LYS 12 -6.399 3.882 -0.140 123 HG2 LYS 12 HG1 LYS 12 -8.444 2.942 -1.560 124 HG3 LYS 12 HG2 LYS 12 -9.109 4.561 -1.371 125 HD2 LYS 12 HD1 LYS 12 -6.362 3.973 -2.545 126 HD3 LYS 12 HD2 LYS 12 -7.820 4.105 -3.524 127 HE2 LYS 12 HE1 LYS 12 -6.820 6.295 -1.647 128 HE3 LYS 12 HE2 LYS 12 -6.395 6.209 -3.367 129 HZ1 LYS 12 HZ1 LYS 12 -8.295 7.671 -3.034 130 HZ2 LYS 12 HZ2 LYS 12 -9.148 6.494 -2.275 131 HZ3 LYS 12 HZ3 LYS 12 -8.795 6.349 -3.869 Start of MODEL 2 1 H1 VAL 1 H VAL 1 12.715 -0.367 -0.757 2 HA VAL 1 HA VAL 1 10.441 -1.367 -0.019 3 HB VAL 1 HB VAL 1 11.036 1.484 0.792 4 HG11 VAL 1 HG21 VAL 1 8.987 0.506 1.836 5 HG12 VAL 1 HG22 VAL 1 10.273 0.666 3.017 6 HG13 VAL 1 HG23 VAL 1 9.914 -0.932 2.320 7 HG21 VAL 1 HG11 VAL 1 12.581 0.535 2.482 8 HG22 VAL 1 HG12 VAL 1 12.399 -1.072 1.757 9 HG23 VAL 1 HG13 VAL 1 13.185 0.251 0.867 10 H ARG 2 H ARG 2 9.961 -0.800 -2.704 11 HA ARG 2 HA ARG 2 7.618 1.055 -2.595 12 HB2 ARG 2 HB1 ARG 2 9.127 -0.034 -4.968 13 HB3 ARG 2 HB2 ARG 2 7.607 0.844 -5.100 14 HG2 ARG 2 HG1 ARG 2 10.219 1.923 -3.969 15 HG3 ARG 2 HG2 ARG 2 9.422 2.371 -5.479 16 HD2 ARG 2 HD1 ARG 2 7.418 3.040 -3.833 17 HD3 ARG 2 HD2 ARG 2 8.726 3.119 -2.640 18 HE ARG 2 HE ARG 2 9.096 4.584 -5.192 19 HH11 ARG 2 HH12 ARG 2 8.404 4.935 -1.766 20 HH12 ARG 2 HH11 ARG 2 8.438 6.669 -1.851 21 HH21 ARG 2 HH22 ARG 2 9.091 6.817 -5.215 22 HH22 ARG 2 HH21 ARG 2 8.786 7.693 -3.752 23 H ARG 3 H ARG 3 7.917 -2.225 -2.162 24 HA ARG 3 HA ARG 3 5.028 -1.955 -1.809 25 HB2 ARG 3 HB1 ARG 3 4.169 -3.390 -3.093 26 HB3 ARG 3 HB2 ARG 3 5.565 -3.226 -4.084 27 HG2 ARG 3 HG1 ARG 3 5.263 -5.565 -2.126 28 HG3 ARG 3 HG2 ARG 3 4.417 -5.480 -3.647 29 HD2 ARG 3 HD1 ARG 3 6.654 -5.158 -4.822 30 HD3 ARG 3 HD2 ARG 3 7.413 -5.587 -3.283 31 HE ARG 3 HE ARG 3 6.581 -7.786 -3.444 32 HH11 ARG 3 HH12 ARG 3 5.811 -6.065 -6.393 33 HH12 ARG 3 HH11 ARG 3 5.174 -7.490 -7.163 34 HH21 ARG 3 HH22 ARG 3 5.680 -9.555 -4.490 35 HH22 ARG 3 HH21 ARG 3 5.089 -9.391 -6.110 36 H PHE 4 H PHE 4 6.368 -1.658 0.477 37 HA PHE 4 HA PHE 4 3.814 -1.976 0.149 38 HB2 PHE 4 HB1 PHE 4 4.593 -4.094 2.099 39 HB3 PHE 4 HB2 PHE 4 3.026 -3.311 2.209 40 HD1 PHE 4 HD1 PHE 4 2.966 -3.396 -1.203 41 HD2 PHE 4 HD2 PHE 4 3.208 -6.110 2.134 42 HE1 PHE 4 HE1 PHE 4 2.060 -5.227 -2.599 43 HE2 PHE 4 HE2 PHE 4 2.253 -7.908 0.732 44 HZ PHE 4 HZ PHE 4 1.705 -7.481 -1.649 45 H ASP 5 H ASP 5 4.900 0.302 0.674 46 HA ASP 5 HA ASP 5 2.363 0.376 1.742 47 HB2 ASP 5 HB1 ASP 5 4.095 2.221 3.182 48 HB3 ASP 5 HB2 ASP 5 2.757 3.061 2.430 49 H LEU 6 H LEU 6 2.771 -0.279 -0.359 50 HA LEU 6 HA LEU 6 0.692 1.363 -1.278 51 HB2 LEU 6 HB1 LEU 6 1.008 1.784 -3.403 52 HB3 LEU 6 HB2 LEU 6 2.666 1.834 -2.883 53 HG LEU 6 HG LEU 6 2.903 0.755 -4.833 54 HD11 LEU 6 HD21 LEU 6 3.386 -1.493 -4.638 55 HD12 LEU 6 HD22 LEU 6 3.591 -0.831 -3.002 56 HD13 LEU 6 HD23 LEU 6 2.162 -1.805 -3.379 57 HD21 LEU 6 HD11 LEU 6 0.657 0.729 -5.621 58 HD22 LEU 6 HD12 LEU 6 1.347 -0.888 -5.845 59 HD23 LEU 6 HD13 LEU 6 0.211 -0.605 -4.506 60 H LEU 7 H LEU 7 -0.840 -0.051 -2.586 61 HA LEU 7 HA LEU 7 -2.542 -1.351 -1.874 62 HB2 LEU 7 HB1 LEU 7 -0.663 -3.178 -0.358 63 HB3 LEU 7 HB2 LEU 7 -2.393 -3.269 -0.364 64 HG LEU 7 HG LEU 7 -2.529 -3.847 -2.691 65 HD11 LEU 7 HD21 LEU 7 -0.732 -2.720 -3.779 66 HD12 LEU 7 HD22 LEU 7 0.473 -3.534 -2.747 67 HD13 LEU 7 HD23 LEU 7 -0.450 -4.463 -3.955 68 HD21 LEU 7 HD11 LEU 7 -2.179 -5.642 -1.015 69 HD22 LEU 7 HD12 LEU 7 -0.429 -5.493 -1.220 70 HD23 LEU 7 HD13 LEU 7 -1.442 -6.063 -2.563 71 H LYS 8 H LYS 8 -0.532 0.603 0.098 72 HA LYS 8 HA LYS 8 -2.380 1.434 1.865 73 HB2 LYS 8 HB1 LYS 8 -1.536 3.592 1.672 74 HB3 LYS 8 HB2 LYS 8 -0.247 2.566 1.106 75 HG2 LYS 8 HG1 LYS 8 -1.162 3.186 -1.297 76 HG3 LYS 8 HG2 LYS 8 -2.028 4.473 -0.460 77 HD2 LYS 8 HD1 LYS 8 0.748 4.484 0.435 78 HD3 LYS 8 HD2 LYS 8 0.730 4.343 -1.311 79 HE2 LYS 8 HE1 LYS 8 0.990 6.586 -0.894 80 HE3 LYS 8 HE2 LYS 8 -0.703 6.451 -1.375 81 HZ1 LYS 8 HZ1 LYS 8 -0.431 7.860 0.586 82 HZ2 LYS 8 HZ2 LYS 8 0.337 6.667 1.407 83 HZ3 LYS 8 HZ3 LYS 8 -1.253 6.510 1.040 84 H ARG 9 H ARG 9 -2.969 1.369 -1.571 85 HA ARG 9 HA ARG 9 -5.596 2.641 -1.505 86 HB2 ARG 9 HB1 ARG 9 -5.811 1.967 -3.816 87 HB3 ARG 9 HB2 ARG 9 -4.226 2.676 -3.529 88 HG2 ARG 9 HG1 ARG 9 -3.216 0.395 -3.488 89 HG3 ARG 9 HG2 ARG 9 -4.819 -0.311 -3.791 90 HD2 ARG 9 HD1 ARG 9 -4.958 0.759 -5.971 91 HD3 ARG 9 HD2 ARG 9 -3.527 1.735 -5.635 92 HE ARG 9 HE ARG 9 -2.237 0.095 -6.466 93 HH11 ARG 9 HH11 ARG 9 -5.166 -1.616 -5.667 94 HH12 ARG 9 HH12 ARG 9 -4.415 -3.174 -5.811 95 HH21 ARG 9 HH21 ARG 9 -1.352 -1.925 -6.729 96 HH22 ARG 9 HH22 ARG 9 -2.309 -3.330 -6.381 97 H ILE 10 H ILE 10 -4.754 -0.345 -0.352 98 HA ILE 10 HA ILE 10 -7.465 -1.584 -0.744 99 HB ILE 10 HB ILE 10 -4.850 -2.764 0.220 100 HG12 ILE 10 HG12 ILE 10 -4.811 -2.387 -2.240 101 HG13 ILE 10 HG13 ILE 10 -4.673 -4.058 -1.748 102 HG21 ILE 10 HG21 ILE 10 -5.903 -4.976 0.135 103 HG22 ILE 10 HG22 ILE 10 -7.487 -4.218 -0.138 104 HG23 ILE 10 HG23 ILE 10 -6.593 -3.929 1.371 105 HD11 ILE 10 HD11 ILE 10 -6.021 -3.935 -3.714 106 HD12 ILE 10 HD12 ILE 10 -7.077 -4.444 -2.399 107 HD13 ILE 10 HD13 ILE 10 -7.130 -2.759 -2.989 108 H LEU 11 H LEU 11 -5.058 -0.494 1.686 109 HA LEU 11 HA LEU 11 -6.555 -0.537 4.030 110 HB2 LEU 11 HB1 LEU 11 -4.527 0.192 4.582 111 HB3 LEU 11 HB2 LEU 11 -4.180 0.737 2.983 112 HG LEU 11 HG LEU 11 -5.542 2.914 3.689 113 HD11 LEU 11 HD21 LEU 11 -6.132 1.978 5.999 114 HD12 LEU 11 HD22 LEU 11 -4.400 2.054 6.383 115 HD13 LEU 11 HD23 LEU 11 -5.303 3.535 5.979 116 HD21 LEU 11 HD11 LEU 11 -3.372 3.842 4.673 117 HD22 LEU 11 HD12 LEU 11 -3.335 3.195 3.044 118 HD23 LEU 11 HD13 LEU 11 -2.684 2.228 4.401 119 H LYS 12 H LYS 12 -7.380 1.341 1.271 120 HA LYS 12 HA LYS 12 -8.149 3.764 2.091 121 HB2 LYS 12 HB1 LYS 12 -9.589 3.997 0.264 122 HB3 LYS 12 HB2 LYS 12 -8.314 2.910 -0.215 123 HG2 LYS 12 HG1 LYS 12 -11.262 2.282 0.175 124 HG3 LYS 12 HG2 LYS 12 -10.293 2.285 -1.275 125 HD2 LYS 12 HD1 LYS 12 -10.209 0.067 -1.082 126 HD3 LYS 12 HD2 LYS 12 -8.973 0.390 0.101 127 HE2 LYS 12 HE1 LYS 12 -10.333 -1.091 1.274 128 HE3 LYS 12 HE2 LYS 12 -10.958 0.454 1.845 129 HZ1 LYS 12 HZ1 LYS 12 -12.744 -1.028 1.206 130 HZ2 LYS 12 HZ2 LYS 12 -12.728 0.240 0.160 131 HZ3 LYS 12 HZ3 LYS 12 -12.132 -1.228 -0.303 Start of MODEL 3 1 H1 VAL 1 H VAL 1 9.627 -4.780 -1.601 2 HA VAL 1 HA VAL 1 12.044 -4.035 -3.159 3 HB VAL 1 HB VAL 1 11.971 -6.317 -3.375 4 HG11 VAL 1 HG21 VAL 1 10.044 -7.403 -4.817 5 HG12 VAL 1 HG22 VAL 1 9.062 -6.143 -4.050 6 HG13 VAL 1 HG23 VAL 1 9.964 -7.315 -3.062 7 HG21 VAL 1 HG11 VAL 1 12.100 -6.587 -5.736 8 HG22 VAL 1 HG12 VAL 1 11.027 -5.221 -6.027 9 HG23 VAL 1 HG13 VAL 1 12.639 -4.955 -5.320 10 H ARG 2 H ARG 2 11.198 -1.964 -2.915 11 HA ARG 2 HA ARG 2 9.775 -0.191 -3.021 12 HB2 ARG 2 HB1 ARG 2 11.036 0.131 -4.884 13 HB3 ARG 2 HB2 ARG 2 10.266 -1.096 -5.855 14 HG2 ARG 2 HG1 ARG 2 9.925 1.161 -6.635 15 HG3 ARG 2 HG2 ARG 2 8.428 0.291 -6.418 16 HD2 ARG 2 HD1 ARG 2 9.249 1.910 -4.051 17 HD3 ARG 2 HD2 ARG 2 9.097 2.856 -5.531 18 HE ARG 2 HE ARG 2 6.847 1.121 -4.616 19 HH11 ARG 2 HH12 ARG 2 7.994 4.365 -5.305 20 HH12 ARG 2 HH11 ARG 2 6.480 5.118 -4.916 21 HH21 ARG 2 HH22 ARG 2 5.013 2.277 -3.780 22 HH22 ARG 2 HH21 ARG 2 4.938 3.990 -4.003 23 H ARG 3 H ARG 3 8.367 -2.037 -1.815 24 HA ARG 3 HA ARG 3 5.831 -0.875 -2.555 25 HB2 ARG 3 HB1 ARG 3 4.329 -2.619 -2.410 26 HB3 ARG 3 HB2 ARG 3 5.369 -2.685 -3.762 27 HG2 ARG 3 HG1 ARG 3 5.590 -4.553 -1.373 28 HG3 ARG 3 HG2 ARG 3 4.695 -4.877 -2.824 29 HD2 ARG 3 HD1 ARG 3 7.658 -4.678 -2.523 30 HD3 ARG 3 HD2 ARG 3 6.718 -6.071 -3.025 31 HE ARG 3 HE ARG 3 7.862 -3.908 -4.580 32 HH11 ARG 3 HH12 ARG 3 5.031 -5.953 -5.041 33 HH12 ARG 3 HH11 ARG 3 4.921 -5.526 -6.648 34 HH21 ARG 3 HH22 ARG 3 7.801 -3.610 -6.471 35 HH22 ARG 3 HH21 ARG 3 6.498 -4.088 -7.565 36 H PHE 4 H PHE 4 5.737 -3.134 0.083 37 HA PHE 4 HA PHE 4 3.376 -1.886 0.389 38 HB2 PHE 4 HB1 PHE 4 4.710 -4.131 1.760 39 HB3 PHE 4 HB2 PHE 4 3.163 -3.628 2.362 40 HD1 PHE 4 HD1 PHE 4 2.810 -3.086 -1.115 41 HD2 PHE 4 HD2 PHE 4 3.059 -6.244 1.792 42 HE1 PHE 4 HE1 PHE 4 2.107 -4.727 -2.833 43 HE2 PHE 4 HE2 PHE 4 2.191 -7.845 0.105 44 HZ PHE 4 HZ PHE 4 1.796 -7.101 -2.233 45 H ASP 5 H ASP 5 5.113 0.420 1.546 46 HA ASP 5 HA ASP 5 2.221 0.837 2.073 47 HB2 ASP 5 HB1 ASP 5 2.763 3.158 2.741 48 HB3 ASP 5 HB2 ASP 5 3.247 1.822 3.770 49 H LEU 6 H LEU 6 2.584 -0.222 0.002 50 HA LEU 6 HA LEU 6 0.710 1.386 -1.370 51 HB2 LEU 6 HB1 LEU 6 1.246 1.140 -3.636 52 HB3 LEU 6 HB2 LEU 6 2.673 1.769 -2.846 53 HG LEU 6 HG LEU 6 3.672 -0.531 -2.915 54 HD11 LEU 6 HD21 LEU 6 2.803 -2.111 -4.674 55 HD12 LEU 6 HD22 LEU 6 1.282 -1.189 -4.697 56 HD13 LEU 6 HD23 LEU 6 1.850 -2.034 -3.222 57 HD21 LEU 6 HD11 LEU 6 3.766 -0.439 -5.650 58 HD22 LEU 6 HD12 LEU 6 3.187 1.197 -5.301 59 HD23 LEU 6 HD13 LEU 6 4.697 0.564 -4.583 60 H LEU 7 H LEU 7 -0.739 -0.220 -2.662 61 HA LEU 7 HA LEU 7 -2.525 -1.432 -1.975 62 HB2 LEU 7 HB1 LEU 7 -0.753 -3.271 -0.351 63 HB3 LEU 7 HB2 LEU 7 -2.483 -3.334 -0.396 64 HG LEU 7 HG LEU 7 -2.552 -4.111 -2.680 65 HD11 LEU 7 HD21 LEU 7 -0.851 -2.924 -3.762 66 HD12 LEU 7 HD22 LEU 7 -0.319 -4.620 -3.817 67 HD13 LEU 7 HD23 LEU 7 0.366 -3.506 -2.595 68 HD21 LEU 7 HD11 LEU 7 -2.204 -5.822 -0.963 69 HD22 LEU 7 HD12 LEU 7 -0.455 -5.549 -0.988 70 HD23 LEU 7 HD13 LEU 7 -1.274 -6.255 -2.400 71 H LYS 8 H LYS 8 -0.502 0.424 0.073 72 HA LYS 8 HA LYS 8 -2.396 1.379 1.793 73 HB2 LYS 8 HB1 LYS 8 -1.401 3.400 1.708 74 HB3 LYS 8 HB2 LYS 8 -0.143 2.434 0.979 75 HG2 LYS 8 HG1 LYS 8 -1.334 3.216 -1.305 76 HG3 LYS 8 HG2 LYS 8 -2.033 4.466 -0.252 77 HD2 LYS 8 HD1 LYS 8 0.502 4.767 0.527 78 HD3 LYS 8 HD2 LYS 8 0.824 3.951 -1.011 79 HE2 LYS 8 HE1 LYS 8 -0.637 6.577 -0.690 80 HE3 LYS 8 HE2 LYS 8 1.051 6.355 -1.174 81 HZ1 LYS 8 HZ1 LYS 8 -0.363 6.649 -3.095 82 HZ2 LYS 8 HZ2 LYS 8 0.290 5.139 -3.112 83 HZ3 LYS 8 HZ3 LYS 8 -1.294 5.362 -2.677 84 H ARG 9 H ARG 9 -3.204 0.736 -1.454 85 HA ARG 9 HA ARG 9 -5.527 2.612 -1.366 86 HB2 ARG 9 HB1 ARG 9 -5.767 2.663 -3.587 87 HB3 ARG 9 HB2 ARG 9 -4.027 2.518 -3.485 88 HG2 ARG 9 HG1 ARG 9 -4.593 -0.103 -3.849 89 HG3 ARG 9 HG2 ARG 9 -6.110 0.567 -4.449 90 HD2 ARG 9 HD1 ARG 9 -4.985 0.486 -6.422 91 HD3 ARG 9 HD2 ARG 9 -4.488 2.107 -5.928 92 HE ARG 9 HE ARG 9 -2.675 0.080 -4.942 93 HH11 ARG 9 HH11 ARG 9 -3.490 1.506 -8.043 94 HH12 ARG 9 HH12 ARG 9 -1.986 1.038 -8.762 95 HH21 ARG 9 HH21 ARG 9 -0.803 -0.575 -5.976 96 HH22 ARG 9 HH22 ARG 9 -0.488 -0.037 -7.592 97 H ILE 10 H ILE 10 -4.697 -0.637 -0.911 98 HA ILE 10 HA ILE 10 -7.435 -1.736 -0.830 99 HB ILE 10 HB ILE 10 -4.748 -2.855 0.010 100 HG12 ILE 10 HG12 ILE 10 -4.598 -2.547 -2.386 101 HG13 ILE 10 HG13 ILE 10 -4.587 -4.226 -1.912 102 HG21 ILE 10 HG21 ILE 10 -5.642 -5.086 -0.045 103 HG22 ILE 10 HG22 ILE 10 -7.269 -4.467 -0.375 104 HG23 ILE 10 HG23 ILE 10 -6.444 -4.090 1.162 105 HD11 ILE 10 HD11 ILE 10 -5.755 -3.756 -4.035 106 HD12 ILE 10 HD12 ILE 10 -6.710 -4.674 -2.865 107 HD13 ILE 10 HD13 ILE 10 -7.043 -2.934 -3.133 108 H LEU 11 H LEU 11 -4.938 -0.308 1.403 109 HA LEU 11 HA LEU 11 -6.397 -0.610 3.796 110 HB2 LEU 11 HB1 LEU 11 -4.600 0.350 4.619 111 HB3 LEU 11 HB2 LEU 11 -4.052 0.802 3.043 112 HG LEU 11 HG LEU 11 -5.740 2.919 3.574 113 HD11 LEU 11 HD21 LEU 11 -6.252 2.051 5.881 114 HD12 LEU 11 HD22 LEU 11 -4.520 2.138 6.266 115 HD13 LEU 11 HD23 LEU 11 -5.419 3.619 5.915 116 HD21 LEU 11 HD11 LEU 11 -2.979 3.091 4.787 117 HD22 LEU 11 HD12 LEU 11 -3.967 4.316 3.962 118 HD23 LEU 11 HD13 LEU 11 -3.233 3.022 3.030 119 H LYS 12 H LYS 12 -7.132 1.499 1.213 120 HA LYS 12 HA LYS 12 -8.858 2.899 0.678 121 HB2 LYS 12 HB1 LYS 12 -9.842 2.925 3.570 122 HB3 LYS 12 HB2 LYS 12 -10.430 3.865 2.233 123 HG2 LYS 12 HG1 LYS 12 -11.981 2.143 2.808 124 HG3 LYS 12 HG2 LYS 12 -11.453 2.053 1.149 125 HD2 LYS 12 HD1 LYS 12 -11.406 -0.123 1.496 126 HD3 LYS 12 HD2 LYS 12 -9.845 0.104 2.233 127 HE2 LYS 12 HE1 LYS 12 -12.503 0.125 3.749 128 HE3 LYS 12 HE2 LYS 12 -11.580 -1.347 3.452 129 HZ1 LYS 12 HZ1 LYS 12 -11.147 -0.363 5.655 130 HZ2 LYS 12 HZ2 LYS 12 -9.771 -0.478 4.750 131 HZ3 LYS 12 HZ3 LYS 12 -10.470 0.965 4.941 Start of MODEL 4 1 H1 VAL 1 H VAL 1 11.227 -0.366 0.984 2 HA VAL 1 HA VAL 1 11.054 1.666 -0.232 3 HB VAL 1 HB VAL 1 11.889 1.325 -2.633 4 HG11 VAL 1 HG21 VAL 1 13.389 1.944 -0.813 5 HG12 VAL 1 HG22 VAL 1 14.184 0.884 -1.985 6 HG13 VAL 1 HG23 VAL 1 13.655 0.227 -0.419 7 HG21 VAL 1 HG11 VAL 1 12.903 -0.748 -3.298 8 HG22 VAL 1 HG12 VAL 1 12.451 -1.544 -1.782 9 HG23 VAL 1 HG13 VAL 1 11.201 -1.070 -2.958 10 H ARG 2 H ARG 2 9.250 -1.042 -1.552 11 HA ARG 2 HA ARG 2 7.130 0.723 -2.518 12 HB2 ARG 2 HB1 ARG 2 9.154 0.454 -4.314 13 HB3 ARG 2 HB2 ARG 2 8.221 -0.961 -4.761 14 HG2 ARG 2 HG1 ARG 2 7.569 0.900 -6.139 15 HG3 ARG 2 HG2 ARG 2 6.207 0.549 -5.071 16 HD2 ARG 2 HD1 ARG 2 6.680 2.476 -3.690 17 HD3 ARG 2 HD2 ARG 2 8.270 2.699 -4.404 18 HE ARG 2 HE ARG 2 5.671 3.514 -5.512 19 HH11 ARG 2 HH11 ARG 2 9.104 3.290 -6.101 20 HH12 ARG 2 HH12 ARG 2 9.039 4.266 -7.537 21 HH21 ARG 2 HH21 ARG 2 5.637 4.755 -7.395 22 HH22 ARG 2 HH22 ARG 2 7.120 5.067 -8.239 23 H ARG 3 H ARG 3 7.486 -1.635 -0.795 24 HA ARG 3 HA ARG 3 4.752 -1.550 -0.844 25 HB2 ARG 3 HB2 ARG 3 4.071 -3.899 -0.462 26 HB3 ARG 3 HB1 ARG 3 4.494 -3.525 -2.086 27 HG2 ARG 3 HG1 ARG 3 6.406 -5.038 -0.317 28 HG3 ARG 3 HG2 ARG 3 5.076 -5.785 -1.199 29 HD2 ARG 3 HD1 ARG 3 7.503 -4.433 -2.374 30 HD3 ARG 3 HD2 ARG 3 7.018 -6.118 -2.510 31 HE ARG 3 HE ARG 3 5.963 -3.789 -4.007 32 HH11 ARG 3 HH11 ARG 3 5.376 -7.198 -3.392 33 HH12 ARG 3 HH12 ARG 3 4.687 -7.459 -4.968 34 HH21 ARG 3 HH21 ARG 3 5.206 -4.250 -6.060 35 HH22 ARG 3 HH22 ARG 3 4.603 -5.835 -6.428 36 H PHE 4 H PHE 4 5.332 -1.161 2.452 37 HA PHE 4 HA PHE 4 3.253 -2.807 1.113 38 HB2 PHE 4 HB1 PHE 4 4.766 -3.144 3.563 39 HB3 PHE 4 HB2 PHE 4 3.107 -2.854 4.023 40 HD1 PHE 4 HD1 PHE 4 5.296 -4.922 1.836 41 HD2 PHE 4 HD2 PHE 4 1.406 -4.513 3.633 42 HE1 PHE 4 HE1 PHE 4 4.634 -7.145 0.929 43 HE2 PHE 4 HE2 PHE 4 0.736 -6.719 2.704 44 HZ PHE 4 HZ PHE 4 2.347 -8.028 1.344 45 H ASP 5 H ASP 5 3.493 0.352 1.592 46 HA ASP 5 HA ASP 5 0.807 0.706 2.744 47 HB2 ASP 5 HB1 ASP 5 1.203 3.114 2.203 48 HB3 ASP 5 HB2 ASP 5 2.104 2.369 3.535 49 H LEU 6 H LEU 6 2.412 1.480 -0.338 50 HA LEU 6 HA LEU 6 0.407 1.961 -2.006 51 HB2 LEU 6 HB1 LEU 6 1.708 1.539 -3.753 52 HB3 LEU 6 HB2 LEU 6 2.905 1.378 -2.496 53 HG LEU 6 HG LEU 6 3.469 -0.311 -3.877 54 HD11 LEU 6 HD21 LEU 6 3.102 -2.372 -3.000 55 HD12 LEU 6 HD22 LEU 6 1.456 -2.077 -2.547 56 HD13 LEU 6 HD23 LEU 6 2.746 -1.311 -1.595 57 HD21 LEU 6 HD11 LEU 6 2.119 -1.795 -5.203 58 HD22 LEU 6 HD12 LEU 6 1.668 -0.119 -5.558 59 HD23 LEU 6 HD13 LEU 6 0.622 -1.139 -4.545 60 H LEU 7 H LEU 7 0.089 -0.963 -0.423 61 HA LEU 7 HA LEU 7 -2.171 -1.709 -2.172 62 HB2 LEU 7 HB1 LEU 7 -1.829 -3.940 -2.028 63 HB3 LEU 7 HB2 LEU 7 -0.207 -3.327 -2.143 64 HG LEU 7 HG LEU 7 0.047 -4.963 -0.611 65 HD11 LEU 7 HD21 LEU 7 -0.446 -2.546 1.142 66 HD12 LEU 7 HD22 LEU 7 1.073 -3.104 0.400 67 HD13 LEU 7 HD23 LEU 7 0.270 -4.055 1.663 68 HD21 LEU 7 HD11 LEU 7 -2.782 -4.535 -0.006 69 HD22 LEU 7 HD12 LEU 7 -1.820 -4.903 1.446 70 HD23 LEU 7 HD13 LEU 7 -1.782 -5.987 0.044 71 H LYS 8 H LYS 8 -1.491 -0.468 0.907 72 HA LYS 8 HA LYS 8 -4.256 -0.979 1.902 73 HB2 LYS 8 HB1 LYS 8 -2.533 1.372 2.753 74 HB3 LYS 8 HB2 LYS 8 -3.882 0.620 3.577 75 HG2 LYS 8 HG1 LYS 8 -1.017 -0.251 3.426 76 HG3 LYS 8 HG2 LYS 8 -2.027 0.033 4.841 77 HD2 LYS 8 HD1 LYS 8 -3.350 -2.066 4.142 78 HD3 LYS 8 HD2 LYS 8 -2.065 -2.378 2.973 79 HE2 LYS 8 HE1 LYS 8 -1.918 -2.405 5.990 80 HE3 LYS 8 HE2 LYS 8 -1.536 -3.689 4.834 81 HZ1 LYS 8 HZ1 LYS 8 0.040 -1.233 5.342 82 HZ2 LYS 8 HZ2 LYS 8 0.336 -2.194 4.069 83 HZ3 LYS 8 HZ3 LYS 8 0.525 -2.781 5.598 84 H ARG 9 H ARG 9 -2.383 1.249 -0.062 85 HA ARG 9 HA ARG 9 -4.582 2.934 -0.909 86 HB2 ARG 9 HB1 ARG 9 -2.203 3.526 -1.111 87 HB3 ARG 9 HB2 ARG 9 -1.964 2.257 -2.311 88 HG2 ARG 9 HG1 ARG 9 -3.242 3.374 -3.966 89 HG3 ARG 9 HG2 ARG 9 -4.062 4.372 -2.762 90 HD2 ARG 9 HD1 ARG 9 -2.692 5.996 -3.278 91 HD3 ARG 9 HD2 ARG 9 -1.446 5.156 -2.365 92 HE ARG 9 HE ARG 9 -0.910 4.020 -4.639 93 HH11 ARG 9 HH11 ARG 9 -2.083 7.323 -4.449 94 HH12 ARG 9 HH12 ARG 9 -1.211 7.829 -5.860 95 HH21 ARG 9 HH21 ARG 9 0.146 4.738 -6.493 96 HH22 ARG 9 HH22 ARG 9 0.011 6.406 -6.969 97 H ILE 10 H ILE 10 -4.118 -0.381 -1.545 98 HA ILE 10 HA ILE 10 -5.893 -0.257 -3.949 99 HB ILE 10 HB ILE 10 -4.233 -2.517 -2.788 100 HG12 ILE 10 HG12 ILE 10 -4.170 -1.202 -5.544 101 HG13 ILE 10 HG13 ILE 10 -3.142 -0.688 -4.222 102 HG21 ILE 10 HG21 ILE 10 -5.065 -3.906 -4.685 103 HG22 ILE 10 HG22 ILE 10 -6.225 -2.624 -5.088 104 HG23 ILE 10 HG23 ILE 10 -6.339 -3.504 -3.550 105 HD11 ILE 10 HD11 ILE 10 -1.894 -2.138 -5.691 106 HD12 ILE 10 HD12 ILE 10 -2.085 -2.920 -4.116 107 HD13 ILE 10 HD13 ILE 10 -3.067 -3.445 -5.498 108 H LEU 11 H LEU 11 -5.783 -1.286 -0.550 109 HA LEU 11 HA LEU 11 -8.518 -2.268 -0.650 110 HB2 LEU 11 HB1 LEU 11 -7.925 -3.392 1.139 111 HB3 LEU 11 HB2 LEU 11 -6.320 -2.804 0.875 112 HG LEU 11 HG LEU 11 -7.325 -0.753 2.425 113 HD11 LEU 11 HD21 LEU 11 -9.504 -2.004 2.711 114 HD12 LEU 11 HD22 LEU 11 -8.613 -3.327 3.451 115 HD13 LEU 11 HD23 LEU 11 -8.654 -1.740 4.247 116 HD21 LEU 11 HD11 LEU 11 -6.423 -2.975 4.136 117 HD22 LEU 11 HD12 LEU 11 -5.766 -1.350 3.890 118 HD23 LEU 11 HD13 LEU 11 -5.348 -2.670 2.776 119 H LYS 12 H LYS 12 -7.257 0.908 -0.287 120 HA LYS 12 HA LYS 12 -10.012 1.858 0.457 121 HB2 LYS 12 HB1 LYS 12 -7.526 3.586 0.702 122 HB3 LYS 12 HB2 LYS 12 -9.124 3.860 1.367 123 HG2 LYS 12 HG1 LYS 12 -7.066 1.814 2.288 124 HG3 LYS 12 HG2 LYS 12 -7.478 3.309 3.097 125 HD2 LYS 12 HD1 LYS 12 -9.386 0.970 2.698 126 HD3 LYS 12 HD2 LYS 12 -8.435 1.247 4.148 127 HE2 LYS 12 HE1 LYS 12 -9.786 2.872 4.931 128 HE3 LYS 12 HE2 LYS 12 -9.978 3.634 3.350 129 HZ1 LYS 12 HZ1 LYS 12 -12.067 2.659 4.206 130 HZ2 LYS 12 HZ2 LYS 12 -11.626 1.986 2.772 131 HZ3 LYS 12 HZ3 LYS 12 -11.399 1.157 4.163 Start of MODEL 5 1 H1 VAL 1 H VAL 1 11.127 -2.041 -0.847 2 HA VAL 1 HA VAL 1 11.891 -0.729 -3.387 3 HB VAL 1 HB VAL 1 11.206 -2.577 -4.765 4 HG11 VAL 1 HG21 VAL 1 13.565 -2.381 -4.004 5 HG12 VAL 1 HG22 VAL 1 13.224 -3.509 -2.675 6 HG13 VAL 1 HG23 VAL 1 13.105 -4.057 -4.359 7 HG21 VAL 1 HG11 VAL 1 10.864 -4.867 -3.856 8 HG22 VAL 1 HG12 VAL 1 10.767 -4.196 -2.222 9 HG23 VAL 1 HG13 VAL 1 9.543 -3.773 -3.444 10 H ARG 2 H ARG 2 10.347 0.284 -4.369 11 HA ARG 2 HA ARG 2 8.260 1.620 -3.470 12 HB2 ARG 2 HB1 ARG 2 9.182 0.746 -6.124 13 HB3 ARG 2 HB2 ARG 2 7.468 1.048 -6.137 14 HG2 ARG 2 HG1 ARG 2 8.624 3.013 -6.814 15 HG3 ARG 2 HG2 ARG 2 7.784 3.321 -5.295 16 HD2 ARG 2 HD1 ARG 2 9.892 3.209 -4.055 17 HD3 ARG 2 HD2 ARG 2 10.755 2.685 -5.511 18 HE ARG 2 HE ARG 2 9.385 5.348 -5.341 19 HH11 ARG 2 HH12 ARG 2 12.436 3.675 -5.844 20 HH12 ARG 2 HH11 ARG 2 13.197 5.095 -6.491 21 HH21 ARG 2 HH22 ARG 2 10.434 7.102 -6.240 22 HH22 ARG 2 HH21 ARG 2 12.097 6.963 -6.699 23 H ARG 3 H ARG 3 7.279 0.341 -1.894 24 HA ARG 3 HA ARG 3 4.685 -0.782 -2.347 25 HB2 ARG 3 HB1 ARG 3 6.219 -2.601 -3.227 26 HB3 ARG 3 HB2 ARG 3 6.954 -2.709 -1.644 27 HG2 ARG 3 HG1 ARG 3 4.316 -3.245 -1.046 28 HG3 ARG 3 HG2 ARG 3 4.387 -3.786 -2.702 29 HD2 ARG 3 HD1 ARG 3 4.792 -5.617 -1.183 30 HD3 ARG 3 HD2 ARG 3 6.196 -5.336 -2.215 31 HE ARG 3 HE ARG 3 7.181 -4.075 -0.220 32 HH11 ARG 3 HH12 ARG 3 5.411 -7.055 0.071 33 HH12 ARG 3 HH11 ARG 3 6.066 -7.400 1.645 34 HH21 ARG 3 HH22 ARG 3 7.872 -4.499 1.882 35 HH22 ARG 3 HH21 ARG 3 7.394 -5.985 2.630 36 H PHE 4 H PHE 4 5.083 -2.333 0.221 37 HA PHE 4 HA PHE 4 3.106 -1.010 0.438 38 HB2 PHE 4 HB1 PHE 4 4.294 -2.678 2.571 39 HB3 PHE 4 HB2 PHE 4 2.686 -2.068 2.827 40 HD1 PHE 4 HD2 PHE 4 1.603 -2.188 0.002 41 HD2 PHE 4 HD1 PHE 4 3.812 -5.038 2.316 42 HE1 PHE 4 HE2 PHE 4 0.857 -3.985 -1.525 43 HE2 PHE 4 HE1 PHE 4 2.936 -6.858 0.863 44 HZ PHE 4 HZ PHE 4 1.531 -6.319 -1.108 45 H ASP 5 H ASP 5 4.148 1.748 0.657 46 HA ASP 5 HA ASP 5 1.376 1.770 1.541 47 HB2 ASP 5 HB1 ASP 5 1.255 4.135 1.103 48 HB3 ASP 5 HB2 ASP 5 2.401 3.557 2.331 49 H LEU 6 H LEU 6 1.993 0.105 -0.823 50 HA LEU 6 HA LEU 6 -0.556 1.054 -2.070 51 HB2 LEU 6 HB1 LEU 6 0.053 -0.100 -4.167 52 HB3 LEU 6 HB2 LEU 6 0.886 1.377 -3.717 53 HG LEU 6 HG LEU 6 2.908 0.246 -3.186 54 HD11 LEU 6 HD21 LEU 6 1.405 -2.337 -3.777 55 HD12 LEU 6 HD22 LEU 6 3.161 -2.201 -3.705 56 HD13 LEU 6 HD23 LEU 6 2.215 -1.857 -2.252 57 HD21 LEU 6 HD11 LEU 6 2.410 0.847 -5.547 58 HD22 LEU 6 HD12 LEU 6 3.520 -0.515 -5.397 59 HD23 LEU 6 HD13 LEU 6 1.815 -0.813 -5.825 60 H LEU 7 H LEU 7 -0.011 -1.239 0.111 61 HA LEU 7 HA LEU 7 -2.676 -2.255 -0.788 62 HB2 LEU 7 HB1 LEU 7 -2.745 -4.090 0.405 63 HB3 LEU 7 HB2 LEU 7 -1.265 -4.158 -0.474 64 HG LEU 7 HG LEU 7 -0.137 -4.691 1.373 65 HD11 LEU 7 HD21 LEU 7 0.101 -3.493 3.375 66 HD12 LEU 7 HD22 LEU 7 -1.421 -2.621 3.135 67 HD13 LEU 7 HD23 LEU 7 0.008 -2.279 2.102 68 HD21 LEU 7 HD11 LEU 7 -2.102 -5.987 1.863 69 HD22 LEU 7 HD12 LEU 7 -1.378 -5.419 3.370 70 HD23 LEU 7 HD13 LEU 7 -2.844 -4.628 2.740 71 H LYS 8 H LYS 8 -1.143 -0.187 1.532 72 HA LYS 8 HA LYS 8 -3.788 0.344 2.727 73 HB2 LYS 8 HB1 LYS 8 -1.432 2.226 2.780 74 HB3 LYS 8 HB2 LYS 8 -2.862 2.243 3.782 75 HG2 LYS 8 HG1 LYS 8 -0.367 0.648 4.024 76 HG3 LYS 8 HG2 LYS 8 -1.257 1.503 5.258 77 HD2 LYS 8 HD1 LYS 8 -2.635 -0.921 4.260 78 HD3 LYS 8 HD2 LYS 8 -1.049 -1.235 4.916 79 HE2 LYS 8 HE1 LYS 8 -3.141 0.270 6.515 80 HE3 LYS 8 HE2 LYS 8 -3.114 -1.489 6.413 81 HZ1 LYS 8 HZ1 LYS 8 -1.907 -0.826 8.339 82 HZ2 LYS 8 HZ2 LYS 8 -0.833 -1.456 7.284 83 HZ3 LYS 8 HZ3 LYS 8 -0.914 0.174 7.497 84 H ARG 9 H ARG 9 -2.861 0.514 -0.338 85 HA ARG 9 HA ARG 9 -4.875 2.617 -1.025 86 HB2 ARG 9 HB1 ARG 9 -2.989 1.064 -2.840 87 HB3 ARG 9 HB2 ARG 9 -4.279 2.122 -3.401 88 HG2 ARG 9 HG1 ARG 9 -3.262 4.063 -2.288 89 HG3 ARG 9 HG2 ARG 9 -2.022 3.039 -1.574 90 HD2 ARG 9 HD1 ARG 9 -0.956 4.111 -3.353 91 HD3 ARG 9 HD2 ARG 9 -1.235 2.469 -3.918 92 HE ARG 9 HE ARG 9 -3.115 3.268 -5.264 93 HH11 ARG 9 HH11 ARG 9 -0.788 5.743 -4.365 94 HH12 ARG 9 HH12 ARG 9 -1.402 6.861 -5.547 95 HH21 ARG 9 HH21 ARG 9 -3.910 4.800 -6.666 96 HH22 ARG 9 HH22 ARG 9 -3.118 6.335 -6.801 97 H ILE 10 H ILE 10 -4.218 -0.876 -1.638 98 HA ILE 10 HA ILE 10 -6.738 -1.404 -2.778 99 HB ILE 10 HB ILE 10 -4.864 -3.285 -1.306 100 HG12 ILE 10 HG13 ILE 10 -5.101 -2.961 -4.332 101 HG13 ILE 10 HG12 ILE 10 -4.032 -1.926 -3.408 102 HG21 ILE 10 HG21 ILE 10 -5.911 -5.094 -2.655 103 HG22 ILE 10 HG22 ILE 10 -7.098 -4.343 -1.593 104 HG23 ILE 10 HG23 ILE 10 -7.078 -3.934 -3.314 105 HD11 ILE 10 HD11 ILE 10 -2.673 -3.677 -4.199 106 HD12 ILE 10 HD12 ILE 10 -3.823 -4.929 -3.696 107 HD13 ILE 10 HD13 ILE 10 -2.913 -4.008 -2.474 108 H LEU 11 H LEU 11 -5.907 -1.556 0.720 109 HA LEU 11 HA LEU 11 -8.589 -2.503 1.339 110 HB2 LEU 11 HB1 LEU 11 -7.705 -3.265 3.170 111 HB3 LEU 11 HB2 LEU 11 -6.175 -2.820 2.517 112 HG LEU 11 HG LEU 11 -6.913 -0.488 3.914 113 HD11 LEU 11 HD21 LEU 11 -8.805 -1.820 4.977 114 HD12 LEU 11 HD22 LEU 11 -7.603 -2.961 5.596 115 HD13 LEU 11 HD23 LEU 11 -7.598 -1.269 6.143 116 HD21 LEU 11 HD11 LEU 11 -4.715 -1.542 3.862 117 HD22 LEU 11 HD12 LEU 11 -5.251 -1.148 5.521 118 HD23 LEU 11 HD13 LEU 11 -5.293 -2.831 4.940 119 H LYS 12 H LYS 12 -8.477 0.179 -0.034 120 HA LYS 12 HA LYS 12 -9.084 2.232 1.956 121 HB2 LYS 12 HB1 LYS 12 -8.672 2.203 -0.912 122 HB3 LYS 12 HB2 LYS 12 -10.252 2.849 -0.647 123 HG2 LYS 12 HG1 LYS 12 -8.820 4.681 -0.766 124 HG3 LYS 12 HG2 LYS 12 -9.318 4.559 0.914 125 HD2 LYS 12 HD1 LYS 12 -6.843 3.085 0.618 126 HD3 LYS 12 HD2 LYS 12 -6.672 4.607 -0.270 127 HE2 LYS 12 HE1 LYS 12 -7.437 5.869 1.739 128 HE3 LYS 12 HE2 LYS 12 -7.529 4.353 2.648 129 HZ1 LYS 12 HZ1 LYS 12 -5.385 5.641 2.893 130 HZ2 LYS 12 HZ2 LYS 12 -5.184 4.061 2.405 131 HZ3 LYS 12 HZ3 LYS 12 -5.036 5.255 1.326 Start of MODEL 6 1 H1 VAL 1 H VAL 1 10.134 -5.037 -2.483 2 HA VAL 1 HA VAL 1 12.038 -3.056 -3.589 3 HB VAL 1 HB VAL 1 11.858 -5.725 -4.462 4 HG11 VAL 1 HG21 VAL 1 11.472 -5.571 -6.868 5 HG12 VAL 1 HG22 VAL 1 10.869 -3.914 -6.696 6 HG13 VAL 1 HG23 VAL 1 9.981 -5.284 -5.974 7 HG21 VAL 1 HG11 VAL 1 13.843 -4.302 -4.421 8 HG22 VAL 1 HG12 VAL 1 13.610 -5.003 -6.022 9 HG23 VAL 1 HG13 VAL 1 13.184 -3.302 -5.741 10 H ARG 2 H ARG 2 10.946 -1.303 -3.440 11 HA ARG 2 HA ARG 2 9.215 0.155 -3.222 12 HB2 ARG 2 HB1 ARG 2 9.666 -0.553 -6.072 13 HB3 ARG 2 HB2 ARG 2 8.268 0.451 -5.798 14 HG2 ARG 2 HG1 ARG 2 11.010 1.082 -4.646 15 HG3 ARG 2 HG2 ARG 2 10.454 1.686 -6.202 16 HD2 ARG 2 HD1 ARG 2 9.139 2.268 -3.505 17 HD3 ARG 2 HD2 ARG 2 10.206 3.351 -4.387 18 HE ARG 2 HE ARG 2 8.533 3.402 -6.218 19 HH11 ARG 2 HH12 ARG 2 7.339 2.809 -2.947 20 HH12 ARG 2 HH11 ARG 2 5.777 3.440 -3.319 21 HH21 ARG 2 HH22 ARG 2 6.504 4.143 -6.610 22 HH22 ARG 2 HH21 ARG 2 5.333 4.202 -5.327 23 H ARG 3 H ARG 3 8.051 -2.332 -2.295 24 HA ARG 3 HA ARG 3 5.284 -1.269 -2.636 25 HB2 ARG 3 HB1 ARG 3 4.162 -3.180 -2.668 26 HB3 ARG 3 HB2 ARG 3 5.412 -3.231 -3.854 27 HG2 ARG 3 HG1 ARG 3 5.438 -4.865 -1.275 28 HG3 ARG 3 HG2 ARG 3 4.919 -5.397 -2.879 29 HD2 ARG 3 HD1 ARG 3 7.290 -4.532 -3.594 30 HD3 ARG 3 HD2 ARG 3 7.692 -4.787 -1.901 31 HE ARG 3 HE ARG 3 7.514 -7.136 -2.250 32 HH11 ARG 3 HH12 ARG 3 6.864 -5.415 -5.192 33 HH12 ARG 3 HH11 ARG 3 6.681 -6.855 -6.157 34 HH21 ARG 3 HH22 ARG 3 7.377 -8.987 -3.556 35 HH22 ARG 3 HH21 ARG 3 7.003 -8.811 -5.244 36 H PHE 4 H PHE 4 5.344 -3.487 -0.099 37 HA PHE 4 HA PHE 4 3.096 -2.298 0.185 38 HB2 PHE 4 HB1 PHE 4 4.384 -4.416 1.722 39 HB3 PHE 4 HB2 PHE 4 2.788 -3.925 2.184 40 HD1 PHE 4 HD1 PHE 4 2.556 -3.457 -1.311 41 HD2 PHE 4 HD2 PHE 4 3.011 -6.622 1.584 42 HE1 PHE 4 HE1 PHE 4 1.947 -5.117 -3.016 43 HE2 PHE 4 HE2 PHE 4 2.276 -8.254 -0.123 44 HZ PHE 4 HZ PHE 4 1.801 -7.514 -2.443 45 H ASP 5 H ASP 5 4.801 -0.038 1.602 46 HA ASP 5 HA ASP 5 1.969 0.690 2.047 47 HB2 ASP 5 HB1 ASP 5 2.704 2.916 2.826 48 HB3 ASP 5 HB2 ASP 5 3.068 1.502 3.807 49 H LEU 6 H LEU 6 3.442 0.174 -0.630 50 HA LEU 6 HA LEU 6 0.781 1.321 -1.310 51 HB2 LEU 6 HB1 LEU 6 1.163 1.903 -3.243 52 HB3 LEU 6 HB2 LEU 6 2.831 1.537 -3.057 53 HG LEU 6 HG LEU 6 2.276 0.784 -5.108 54 HD11 LEU 6 HD21 LEU 6 3.578 -0.899 -4.314 55 HD12 LEU 6 HD22 LEU 6 2.279 -1.649 -3.348 56 HD13 LEU 6 HD23 LEU 6 2.246 -1.740 -5.126 57 HD21 LEU 6 HD11 LEU 6 0.435 -0.455 -5.885 58 HD22 LEU 6 HD12 LEU 6 -0.147 0.963 -5.003 59 HD23 LEU 6 HD13 LEU 6 -0.229 -0.669 -4.282 60 H LEU 7 H LEU 7 -0.575 -0.292 -2.650 61 HA LEU 7 HA LEU 7 -2.375 -1.428 -1.966 62 HB2 LEU 7 HB1 LEU 7 -0.527 -3.249 -0.409 63 HB3 LEU 7 HB2 LEU 7 -2.261 -3.358 -0.339 64 HG LEU 7 HG LEU 7 -2.492 -3.911 -2.653 65 HD11 LEU 7 HD21 LEU 7 -0.904 -2.809 -3.916 66 HD12 LEU 7 HD22 LEU 7 0.444 -3.324 -2.863 67 HD13 LEU 7 HD23 LEU 7 -0.356 -4.486 -3.964 68 HD21 LEU 7 HD11 LEU 7 -2.050 -5.712 -1.043 69 HD22 LEU 7 HD12 LEU 7 -0.313 -5.487 -1.223 70 HD23 LEU 7 HD13 LEU 7 -1.283 -6.100 -2.585 71 H LYS 8 H LYS 8 -0.745 0.697 -0.091 72 HA LYS 8 HA LYS 8 -3.217 1.037 1.535 73 HB2 LYS 8 HB1 LYS 8 -1.234 3.222 1.132 74 HB3 LYS 8 HB2 LYS 8 -2.401 2.987 2.402 75 HG2 LYS 8 HG1 LYS 8 0.310 1.908 2.060 76 HG3 LYS 8 HG2 LYS 8 -0.372 2.654 3.456 77 HD2 LYS 8 HD1 LYS 8 -0.722 -0.265 2.600 78 HD3 LYS 8 HD2 LYS 8 0.454 0.370 3.718 79 HE2 LYS 8 HE1 LYS 8 -1.355 1.133 5.232 80 HE3 LYS 8 HE2 LYS 8 -2.541 0.344 4.169 81 HZ1 LYS 8 HZ1 LYS 8 -1.764 -1.086 6.048 82 HZ2 LYS 8 HZ2 LYS 8 -1.413 -1.770 4.587 83 HZ3 LYS 8 HZ3 LYS 8 -0.236 -1.038 5.451 84 H ARG 9 H ARG 9 -3.230 0.533 -1.334 85 HA ARG 9 HA ARG 9 -5.438 2.477 -1.757 86 HB2 ARG 9 HB1 ARG 9 -3.868 0.996 -3.879 87 HB3 ARG 9 HB2 ARG 9 -5.573 1.322 -4.135 88 HG2 ARG 9 HG1 ARG 9 -5.321 3.491 -4.537 89 HG3 ARG 9 HG2 ARG 9 -4.214 3.741 -3.199 90 HD2 ARG 9 HD1 ARG 9 -3.237 4.293 -5.428 91 HD3 ARG 9 HD2 ARG 9 -2.316 3.140 -4.478 92 HE ARG 9 HE ARG 9 -2.741 1.444 -6.003 93 HH11 ARG 9 HH11 ARG 9 -4.434 4.300 -7.147 94 HH12 ARG 9 HH12 ARG 9 -4.703 3.601 -8.714 95 HH21 ARG 9 HH21 ARG 9 -3.239 0.583 -7.978 96 HH22 ARG 9 HH22 ARG 9 -4.049 1.560 -9.156 97 H ILE 10 H ILE 10 -4.664 -0.632 -0.755 98 HA ILE 10 HA ILE 10 -7.405 -1.683 -1.209 99 HB ILE 10 HB ILE 10 -4.813 -2.967 -0.301 100 HG12 ILE 10 HG12 ILE 10 -6.691 -3.130 -2.710 101 HG13 ILE 10 HG13 ILE 10 -4.996 -2.643 -2.680 102 HG21 ILE 10 HG21 ILE 10 -6.028 -5.088 -0.086 103 HG22 ILE 10 HG22 ILE 10 -6.557 -3.919 1.113 104 HG23 ILE 10 HG23 ILE 10 -7.574 -4.253 -0.317 105 HD11 ILE 10 HD11 ILE 10 -6.208 -5.394 -2.737 106 HD12 ILE 10 HD12 ILE 10 -4.974 -4.652 -3.766 107 HD13 ILE 10 HD13 ILE 10 -4.556 -5.169 -2.106 108 H LEU 11 H LEU 11 -5.222 -0.657 1.464 109 HA LEU 11 HA LEU 11 -7.586 0.542 2.740 110 HB2 LEU 11 HB1 LEU 11 -5.865 0.121 4.207 111 HB3 LEU 11 HB2 LEU 11 -4.658 1.007 3.296 112 HG LEU 11 HG LEU 11 -6.905 2.771 4.105 113 HD11 LEU 11 HD21 LEU 11 -7.162 1.299 6.027 114 HD12 LEU 11 HD22 LEU 11 -5.401 1.380 6.343 115 HD13 LEU 11 HD23 LEU 11 -6.403 2.829 6.495 116 HD21 LEU 11 HD11 LEU 11 -3.998 2.860 5.080 117 HD22 LEU 11 HD12 LEU 11 -4.478 3.432 3.457 118 HD23 LEU 11 HD13 LEU 11 -5.164 4.186 4.891 119 H LYS 12 H LYS 12 -8.220 1.012 0.309 120 HA LYS 12 HA LYS 12 -9.363 2.751 -0.724 121 HB2 LYS 12 HB1 LYS 12 -9.111 4.117 1.991 122 HB3 LYS 12 HB2 LYS 12 -10.284 4.462 0.736 123 HG2 LYS 12 HG1 LYS 12 -11.631 3.226 2.076 124 HG3 LYS 12 HG2 LYS 12 -10.979 1.897 1.107 125 HD2 LYS 12 HD1 LYS 12 -9.142 1.777 2.977 126 HD3 LYS 12 HD2 LYS 12 -10.144 2.877 3.876 127 HE2 LYS 12 HE1 LYS 12 -10.455 0.625 4.668 128 HE3 LYS 12 HE2 LYS 12 -11.956 1.241 3.971 129 HZ1 LYS 12 HZ1 LYS 12 -11.574 -1.022 3.266 130 HZ2 LYS 12 HZ2 LYS 12 -11.440 -0.059 1.950 131 HZ3 LYS 12 HZ3 LYS 12 -10.086 -0.662 2.638 Start of MODEL 7 1 H1 VAL 1 H VAL 1 10.342 -3.318 -2.345 2 HA VAL 1 HA VAL 1 11.553 -1.476 -4.276 3 HB VAL 1 HB VAL 1 12.321 -3.817 -4.204 4 HG11 VAL 1 HG21 VAL 1 11.216 -5.591 -5.273 5 HG12 VAL 1 HG22 VAL 1 9.937 -4.557 -5.931 6 HG13 VAL 1 HG23 VAL 1 9.994 -4.905 -4.182 7 HG21 VAL 1 HG11 VAL 1 12.860 -2.308 -6.033 8 HG22 VAL 1 HG12 VAL 1 12.587 -3.942 -6.655 9 HG23 VAL 1 HG13 VAL 1 11.329 -2.704 -6.861 10 H ARG 2 H ARG 2 9.984 0.021 -3.964 11 HA ARG 2 HA ARG 2 7.995 1.131 -4.141 12 HB2 ARG 2 HB1 ARG 2 8.794 0.642 -6.621 13 HB3 ARG 2 HB2 ARG 2 7.373 -0.395 -6.684 14 HG2 ARG 2 HG1 ARG 2 6.897 1.802 -7.584 15 HG3 ARG 2 HG2 ARG 2 5.942 1.552 -6.123 16 HD2 ARG 2 HD1 ARG 2 8.604 2.854 -5.681 17 HD3 ARG 2 HD2 ARG 2 7.549 3.778 -6.733 18 HE ARG 2 HE ARG 2 7.366 3.598 -3.887 19 HH11 ARG 2 HH12 ARG 2 5.238 3.756 -6.614 20 HH12 ARG 2 HH11 ARG 2 3.907 4.383 -5.665 21 HH21 ARG 2 HH22 ARG 2 5.574 4.277 -2.661 22 HH22 ARG 2 HH21 ARG 2 4.106 4.612 -3.459 23 H ARG 3 H ARG 3 8.081 -1.122 -2.599 24 HA ARG 3 HA ARG 3 5.222 -1.909 -2.660 25 HB2 ARG 3 HB1 ARG 3 7.110 -3.669 -2.882 26 HB3 ARG 3 HB2 ARG 3 7.278 -3.538 -1.139 27 HG2 ARG 3 HG1 ARG 3 5.523 -4.973 -0.862 28 HG3 ARG 3 HG2 ARG 3 4.452 -3.951 -1.830 29 HD2 ARG 3 HD1 ARG 3 5.490 -4.960 -3.895 30 HD3 ARG 3 HD2 ARG 3 6.105 -6.244 -2.805 31 HE ARG 3 HE ARG 3 3.422 -6.096 -2.169 32 HH11 ARG 3 HH12 ARG 3 5.127 -6.700 -5.147 33 HH12 ARG 3 HH11 ARG 3 3.822 -7.612 -5.845 34 HH21 ARG 3 HH22 ARG 3 1.706 -7.261 -3.174 35 HH22 ARG 3 HH21 ARG 3 1.968 -7.893 -4.764 36 H PHE 4 H PHE 4 6.133 -2.569 0.473 37 HA PHE 4 HA PHE 4 3.761 -1.453 0.892 38 HB2 PHE 4 HB1 PHE 4 5.657 -2.726 2.796 39 HB3 PHE 4 HB2 PHE 4 4.052 -2.253 3.284 40 HD1 PHE 4 HD2 PHE 4 3.450 -3.119 -0.089 41 HD2 PHE 4 HD1 PHE 4 4.402 -4.863 3.749 42 HE1 PHE 4 HE2 PHE 4 2.295 -5.167 -0.739 43 HE2 PHE 4 HE1 PHE 4 3.300 -6.966 3.026 44 HZ PHE 4 HZ PHE 4 2.249 -7.124 0.787 45 H ASP 5 H ASP 5 4.518 1.093 0.281 46 HA ASP 5 HA ASP 5 2.054 1.268 1.958 47 HB2 ASP 5 HB1 ASP 5 1.862 3.672 1.628 48 HB3 ASP 5 HB2 ASP 5 3.113 3.093 2.705 49 H LEU 6 H LEU 6 2.402 -0.276 -0.407 50 HA LEU 6 HA LEU 6 -0.003 0.862 -1.803 51 HB2 LEU 6 HB1 LEU 6 0.680 0.453 -3.831 52 HB3 LEU 6 HB2 LEU 6 2.209 0.839 -3.054 53 HG LEU 6 HG LEU 6 2.862 -0.860 -4.325 54 HD11 LEU 6 HD21 LEU 6 3.188 -2.877 -3.186 55 HD12 LEU 6 HD22 LEU 6 3.173 -1.599 -1.941 56 HD13 LEU 6 HD23 LEU 6 1.766 -2.704 -2.120 57 HD21 LEU 6 HD11 LEU 6 1.653 -2.736 -5.165 58 HD22 LEU 6 HD12 LEU 6 0.641 -1.290 -5.379 59 HD23 LEU 6 HD13 LEU 6 0.293 -2.434 -4.038 60 H LEU 7 H LEU 7 0.682 -1.740 0.188 61 HA LEU 7 HA LEU 7 -1.989 -2.841 -0.623 62 HB2 LEU 7 HB1 LEU 7 -1.695 -4.699 0.523 63 HB3 LEU 7 HB2 LEU 7 -0.030 -4.396 0.062 64 HG LEU 7 HG LEU 7 -1.300 -3.802 2.794 65 HD11 LEU 7 HD21 LEU 7 -1.118 -6.004 3.010 66 HD12 LEU 7 HD22 LEU 7 0.008 -6.196 1.661 67 HD13 LEU 7 HD23 LEU 7 0.607 -5.702 3.254 68 HD21 LEU 7 HD11 LEU 7 1.416 -3.286 1.650 69 HD22 LEU 7 HD12 LEU 7 0.486 -2.231 2.640 70 HD23 LEU 7 HD13 LEU 7 1.272 -3.618 3.381 71 H LYS 8 H LYS 8 -0.386 -0.762 1.651 72 HA LYS 8 HA LYS 8 -2.945 -0.046 2.896 73 HB2 LYS 8 HB1 LYS 8 -0.104 0.825 3.422 74 HB3 LYS 8 HB2 LYS 8 -1.468 1.785 3.980 75 HG2 LYS 8 HG1 LYS 8 -0.587 0.397 5.750 76 HG3 LYS 8 HG2 LYS 8 -2.277 0.059 5.419 77 HD2 LYS 8 HD1 LYS 8 -1.561 -1.970 4.127 78 HD3 LYS 8 HD2 LYS 8 0.106 -1.669 4.685 79 HE2 LYS 8 HE1 LYS 8 -2.227 -2.089 6.590 80 HE3 LYS 8 HE2 LYS 8 -1.408 -3.447 5.816 81 HZ1 LYS 8 HZ1 LYS 8 -0.455 -2.976 7.982 82 HZ2 LYS 8 HZ2 LYS 8 -0.043 -1.451 7.533 83 HZ3 LYS 8 HZ3 LYS 8 0.672 -2.746 6.815 84 H ARG 9 H ARG 9 -2.142 0.086 0.017 85 HA ARG 9 HA ARG 9 -3.991 2.395 -0.447 86 HB2 ARG 9 HB1 ARG 9 -2.223 0.962 -2.463 87 HB3 ARG 9 HB2 ARG 9 -3.704 1.789 -2.884 88 HG2 ARG 9 HG1 ARG 9 -2.430 3.759 -1.440 89 HG3 ARG 9 HG2 ARG 9 -1.061 2.968 -2.229 90 HD2 ARG 9 HD1 ARG 9 -3.580 3.806 -3.754 91 HD3 ARG 9 HD2 ARG 9 -2.237 4.896 -3.438 92 HE ARG 9 HE ARG 9 -0.969 3.923 -5.033 93 HH11 ARG 9 HH11 ARG 9 -3.663 1.705 -4.636 94 HH12 ARG 9 HH12 ARG 9 -3.266 0.833 -6.090 95 HH21 ARG 9 HH21 ARG 9 -0.649 2.863 -6.947 96 HH22 ARG 9 HH22 ARG 9 -1.633 1.497 -7.362 97 H ILE 10 H ILE 10 -3.510 -1.140 -0.916 98 HA ILE 10 HA ILE 10 -6.044 -1.440 -2.291 99 HB ILE 10 HB ILE 10 -4.266 -3.587 -1.101 100 HG12 ILE 10 HG13 ILE 10 -4.592 -2.843 -4.052 101 HG13 ILE 10 HG12 ILE 10 -3.364 -2.099 -3.054 102 HG21 ILE 10 HG21 ILE 10 -5.542 -5.090 -2.702 103 HG22 ILE 10 HG22 ILE 10 -6.650 -3.743 -3.021 104 HG23 ILE 10 HG23 ILE 10 -6.551 -4.462 -1.403 105 HD11 ILE 10 HD11 ILE 10 -2.293 -3.871 -4.199 106 HD12 ILE 10 HD12 ILE 10 -3.552 -5.036 -3.770 107 HD13 ILE 10 HD13 ILE 10 -2.459 -4.405 -2.515 108 H LEU 11 H LEU 11 -5.168 -1.520 1.137 109 HA LEU 11 HA LEU 11 -7.721 -2.320 2.121 110 HB2 LEU 11 HB1 LEU 11 -6.753 -2.025 4.058 111 HB3 LEU 11 HB2 LEU 11 -5.291 -1.530 3.235 112 HG LEU 11 HG LEU 11 -6.895 0.875 3.600 113 HD11 LEU 11 HD21 LEU 11 -8.173 -0.373 5.267 114 HD12 LEU 11 HD22 LEU 11 -7.252 0.973 5.930 115 HD13 LEU 11 HD23 LEU 11 -6.662 -0.693 6.180 116 HD21 LEU 11 HD11 LEU 11 -5.083 1.461 5.222 117 HD22 LEU 11 HD12 LEU 11 -4.399 -0.161 4.964 118 HD23 LEU 11 HD13 LEU 11 -4.562 1.015 3.618 119 H LYS 12 H LYS 12 -7.235 0.153 0.074 120 HA LYS 12 HA LYS 12 -7.746 2.343 -0.260 121 HB2 LYS 12 HB1 LYS 12 -9.466 2.508 2.275 122 HB3 LYS 12 HB2 LYS 12 -9.293 3.643 0.992 123 HG2 LYS 12 HG1 LYS 12 -10.629 0.907 0.861 124 HG3 LYS 12 HG2 LYS 12 -11.383 2.499 0.665 125 HD2 LYS 12 HD1 LYS 12 -9.956 2.748 -1.487 126 HD3 LYS 12 HD2 LYS 12 -9.508 1.048 -1.284 127 HE2 LYS 12 HE1 LYS 12 -11.301 1.249 -2.888 128 HE3 LYS 12 HE2 LYS 12 -11.820 0.324 -1.480 129 HZ1 LYS 12 HZ1 LYS 12 -13.455 2.021 -2.253 130 HZ2 LYS 12 HZ2 LYS 12 -13.023 2.220 -0.682 131 HZ3 LYS 12 HZ3 LYS 12 -12.404 3.216 -1.836 Start of MODEL 8 1 H1 VAL 1 H VAL 1 13.278 0.614 -2.494 2 HA VAL 1 HA VAL 1 10.993 -0.335 -0.898 3 HB VAL 1 HB VAL 1 10.602 1.646 0.137 4 HG11 VAL 1 HG21 VAL 1 12.655 2.282 1.268 5 HG12 VAL 1 HG22 VAL 1 13.645 1.586 -0.020 6 HG13 VAL 1 HG23 VAL 1 12.655 0.533 1.014 7 HG21 VAL 1 HG11 VAL 1 10.706 3.293 -1.622 8 HG22 VAL 1 HG12 VAL 1 12.457 3.045 -1.815 9 HG23 VAL 1 HG13 VAL 1 11.809 3.792 -0.340 10 H ARG 2 H ARG 2 9.301 -0.825 -1.908 11 HA ARG 2 HA ARG 2 7.771 1.072 -3.419 12 HB2 ARG 2 HB1 ARG 2 9.127 0.478 -5.312 13 HB3 ARG 2 HB2 ARG 2 8.901 -1.243 -5.072 14 HG2 ARG 2 HG1 ARG 2 7.620 -0.375 -6.989 15 HG3 ARG 2 HG2 ARG 2 6.508 -1.032 -5.778 16 HD2 ARG 2 HD1 ARG 2 5.732 1.131 -5.175 17 HD3 ARG 2 HD2 ARG 2 7.236 1.929 -5.663 18 HE ARG 2 HE ARG 2 6.317 0.932 -8.024 19 HH11 ARG 2 HH12 ARG 2 4.880 3.132 -5.715 20 HH12 ARG 2 HH11 ARG 2 4.089 4.053 -6.965 21 HH21 ARG 2 HH22 ARG 2 5.273 2.087 -9.532 22 HH22 ARG 2 HH21 ARG 2 4.307 3.465 -9.101 23 H ARG 3 H ARG 3 7.811 -1.767 -1.476 24 HA ARG 3 HA ARG 3 4.898 -2.014 -1.705 25 HB2 ARG 3 HB1 ARG 3 4.907 -3.659 -3.226 26 HB3 ARG 3 HB2 ARG 3 6.639 -3.784 -3.243 27 HG2 ARG 3 HG1 ARG 3 5.896 -5.184 -0.865 28 HG3 ARG 3 HG2 ARG 3 4.597 -5.490 -1.991 29 HD2 ARG 3 HD1 ARG 3 7.555 -6.108 -2.308 30 HD3 ARG 3 HD2 ARG 3 6.236 -7.244 -2.037 31 HE ARG 3 HE ARG 3 7.073 -6.179 -4.587 32 HH11 ARG 3 HH12 ARG 3 4.371 -7.472 -2.871 33 HH12 ARG 3 HH11 ARG 3 3.424 -7.809 -4.291 34 HH21 ARG 3 HH22 ARG 3 5.820 -6.585 -6.455 35 HH22 ARG 3 HH21 ARG 3 4.256 -7.315 -6.288 36 H PHE 4 H PHE 4 5.449 -0.981 0.150 37 HA PHE 4 HA PHE 4 3.427 -1.977 0.728 38 HB2 PHE 4 HB1 PHE 4 4.823 -3.643 2.793 39 HB3 PHE 4 HB2 PHE 4 3.133 -3.226 2.817 40 HD1 PHE 4 HD2 PHE 4 2.951 -3.362 -0.505 41 HD2 PHE 4 HD1 PHE 4 3.961 -5.998 2.782 42 HE1 PHE 4 HE2 PHE 4 1.898 -5.186 -1.679 43 HE2 PHE 4 HE1 PHE 4 2.927 -7.875 1.536 44 HZ PHE 4 HZ PHE 4 1.840 -7.465 -0.663 45 H ASP 5 H ASP 5 4.282 0.545 0.803 46 HA ASP 5 HA ASP 5 1.719 0.851 2.253 47 HB2 ASP 5 HB1 ASP 5 2.258 3.244 2.328 48 HB3 ASP 5 HB2 ASP 5 3.481 2.331 3.162 49 H LEU 6 H LEU 6 2.368 -0.085 -0.675 50 HA LEU 6 HA LEU 6 0.206 1.731 -1.675 51 HB2 LEU 6 HB1 LEU 6 0.508 0.755 -3.875 52 HB3 LEU 6 HB2 LEU 6 1.773 1.802 -3.236 53 HG LEU 6 HG LEU 6 3.349 0.152 -3.040 54 HD11 LEU 6 HD21 LEU 6 3.007 -2.266 -3.279 55 HD12 LEU 6 HD22 LEU 6 1.996 -1.711 -1.963 56 HD13 LEU 6 HD23 LEU 6 1.267 -2.030 -3.558 57 HD21 LEU 6 HD11 LEU 6 2.711 0.795 -5.379 58 HD22 LEU 6 HD12 LEU 6 3.368 -0.853 -5.316 59 HD23 LEU 6 HD13 LEU 6 1.611 -0.598 -5.442 60 H LEU 7 H LEU 7 0.542 -1.702 -0.690 61 HA LEU 7 HA LEU 7 -2.162 -2.117 -1.539 62 HB2 LEU 7 HB1 LEU 7 -1.998 -4.174 -1.073 63 HB3 LEU 7 HB2 LEU 7 -0.278 -3.879 -1.006 64 HG LEU 7 HG LEU 7 -2.135 -3.994 1.424 65 HD11 LEU 7 HD21 LEU 7 -2.098 -6.075 0.138 66 HD12 LEU 7 HD22 LEU 7 -0.322 -6.095 0.189 67 HD13 LEU 7 HD23 LEU 7 -1.268 -6.277 1.691 68 HD21 LEU 7 HD11 LEU 7 -0.362 -3.332 2.646 69 HD22 LEU 7 HD12 LEU 7 0.601 -3.101 1.169 70 HD23 LEU 7 HD13 LEU 7 0.604 -4.660 1.997 71 H LYS 8 H LYS 8 -0.977 -0.907 1.639 72 HA LYS 8 HA LYS 8 -3.807 -0.561 2.416 73 HB2 LYS 8 HB1 LYS 8 -3.205 0.344 4.486 74 HB3 LYS 8 HB2 LYS 8 -2.399 -1.172 4.231 75 HG2 LYS 8 HG1 LYS 8 -0.944 1.457 3.664 76 HG3 LYS 8 HG2 LYS 8 -1.164 0.906 5.319 77 HD2 LYS 8 HD1 LYS 8 0.154 -0.796 3.162 78 HD3 LYS 8 HD2 LYS 8 1.033 0.216 4.308 79 HE2 LYS 8 HE1 LYS 8 -0.856 -2.057 5.076 80 HE3 LYS 8 HE2 LYS 8 0.914 -2.171 5.035 81 HZ1 LYS 8 HZ1 LYS 8 0.177 -1.654 7.274 82 HZ2 LYS 8 HZ2 LYS 8 0.956 -0.339 6.675 83 HZ3 LYS 8 HZ3 LYS 8 -0.674 -0.351 6.765 84 H ARG 9 H ARG 9 -2.675 0.777 0.024 85 HA ARG 9 HA ARG 9 -4.310 3.232 0.610 86 HB2 ARG 9 HB1 ARG 9 -2.560 2.777 -1.832 87 HB3 ARG 9 HB2 ARG 9 -3.524 4.206 -1.446 88 HG2 ARG 9 HG1 ARG 9 -1.797 3.741 0.827 89 HG3 ARG 9 HG2 ARG 9 -0.866 3.491 -0.646 90 HD2 ARG 9 HD1 ARG 9 -2.490 5.958 0.001 91 HD3 ARG 9 HD2 ARG 9 -0.743 5.815 0.228 92 HE ARG 9 HE ARG 9 -2.151 6.343 -2.238 93 HH11 ARG 9 HH12 ARG 9 0.777 4.687 -1.129 94 HH12 ARG 9 HH11 ARG 9 1.577 4.921 -2.635 95 HH21 ARG 9 HH22 ARG 9 -1.080 6.553 -4.140 96 HH22 ARG 9 HH21 ARG 9 0.499 5.872 -4.348 97 H ILE 10 H ILE 10 -3.917 0.361 -1.442 98 HA ILE 10 HA ILE 10 -6.378 0.665 -2.921 99 HB ILE 10 HB ILE 10 -4.834 -1.814 -2.074 100 HG12 ILE 10 HG13 ILE 10 -4.885 -0.475 -4.811 101 HG13 ILE 10 HG12 ILE 10 -3.651 -0.131 -3.602 102 HG21 ILE 10 HG21 ILE 10 -6.092 -3.066 -3.773 103 HG22 ILE 10 HG22 ILE 10 -7.049 -1.619 -4.160 104 HG23 ILE 10 HG23 ILE 10 -7.190 -2.419 -2.584 105 HD11 ILE 10 HD11 ILE 10 -2.762 -1.778 -5.099 106 HD12 ILE 10 HD12 ILE 10 -3.042 -2.547 -3.525 107 HD13 ILE 10 HD13 ILE 10 -4.164 -2.836 -4.873 108 H LEU 11 H LEU 11 -5.579 -0.955 0.176 109 HA LEU 11 HA LEU 11 -8.319 -1.676 0.660 110 HB2 LEU 11 HB1 LEU 11 -7.441 -3.071 2.109 111 HB3 LEU 11 HB2 LEU 11 -5.869 -2.508 1.626 112 HG LEU 11 HG LEU 11 -6.366 -0.676 3.567 113 HD11 LEU 11 HD21 LEU 11 -8.598 -1.749 4.238 114 HD12 LEU 11 HD22 LEU 11 -7.404 -1.762 5.521 115 HD13 LEU 11 HD23 LEU 11 -7.734 -3.233 4.574 116 HD21 LEU 11 HD11 LEU 11 -5.423 -3.455 4.293 117 HD22 LEU 11 HD12 LEU 11 -4.439 -2.285 3.398 118 HD23 LEU 11 HD13 LEU 11 -5.001 -1.891 5.043 119 H LYS 12 H LYS 12 -7.099 1.449 0.830 120 HA LYS 12 HA LYS 12 -7.768 3.372 1.914 121 HB2 LYS 12 HB1 LYS 12 -10.337 1.839 2.617 122 HB3 LYS 12 HB2 LYS 12 -10.052 3.542 2.877 123 HG2 LYS 12 HG1 LYS 12 -11.284 3.488 0.934 124 HG3 LYS 12 HG2 LYS 12 -9.617 3.749 0.336 125 HD2 LYS 12 HD1 LYS 12 -9.506 1.645 -0.608 126 HD3 LYS 12 HD2 LYS 12 -10.562 0.881 0.579 127 HE2 LYS 12 HE1 LYS 12 -11.606 0.834 -1.572 128 HE3 LYS 12 HE2 LYS 12 -12.533 1.842 -0.440 129 HZ1 LYS 12 HZ1 LYS 12 -12.246 2.867 -2.658 130 HZ2 LYS 12 HZ2 LYS 12 -10.620 2.918 -2.438 131 HZ3 LYS 12 HZ3 LYS 12 -11.608 3.796 -1.466 Start of MODEL 9 1 H1 VAL 1 H VAL 1 12.284 -1.455 -1.617 2 HA VAL 1 HA VAL 1 10.919 0.737 -0.554 3 HB VAL 1 HB VAL 1 11.942 1.989 -2.594 4 HG11 VAL 1 HG21 VAL 1 12.997 1.915 -0.404 5 HG12 VAL 1 HG22 VAL 1 13.728 0.341 -0.772 6 HG13 VAL 1 HG23 VAL 1 14.214 1.789 -1.682 7 HG21 VAL 1 HG11 VAL 1 12.043 -0.028 -4.109 8 HG22 VAL 1 HG12 VAL 1 13.328 -0.681 -3.072 9 HG23 VAL 1 HG13 VAL 1 13.590 0.832 -3.940 10 H ARG 2 H ARG 2 9.470 -1.501 -2.234 11 HA ARG 2 HA ARG 2 7.307 0.336 -3.042 12 HB2 ARG 2 HB1 ARG 2 8.927 -0.090 -5.023 13 HB3 ARG 2 HB2 ARG 2 8.258 -1.714 -5.070 14 HG2 ARG 2 HG1 ARG 2 7.222 -0.296 -6.745 15 HG3 ARG 2 HG2 ARG 2 6.022 -0.774 -5.570 16 HD2 ARG 2 HD1 ARG 2 5.552 1.458 -6.018 17 HD3 ARG 2 HD2 ARG 2 6.366 1.537 -4.455 18 HE ARG 2 HE ARG 2 8.470 1.973 -6.028 19 HH11 ARG 2 HH12 ARG 2 5.366 3.558 -6.069 20 HH12 ARG 2 HH11 ARG 2 5.929 4.868 -7.065 21 HH21 ARG 2 HH22 ARG 2 9.117 3.660 -7.385 22 HH22 ARG 2 HH21 ARG 2 7.989 4.912 -7.789 23 H ARG 3 H ARG 3 7.857 -2.022 -1.107 24 HA ARG 3 HA ARG 3 5.060 -2.036 -0.837 25 HB2 ARG 3 HB1 ARG 3 4.726 -4.501 -0.416 26 HB3 ARG 3 HB2 ARG 3 4.570 -3.845 -2.030 27 HG2 ARG 3 HG1 ARG 3 6.773 -5.633 -0.917 28 HG3 ARG 3 HG2 ARG 3 5.322 -6.107 -1.826 29 HD2 ARG 3 HD1 ARG 3 6.455 -4.323 -3.567 30 HD3 ARG 3 HD2 ARG 3 7.890 -5.081 -2.824 31 HE ARG 3 HE ARG 3 6.233 -6.153 -4.848 32 HH11 ARG 3 HH11 ARG 3 7.568 -7.516 -1.909 33 HH12 ARG 3 HH12 ARG 3 7.250 -9.148 -2.430 34 HH21 ARG 3 HH21 ARG 3 5.963 -8.249 -5.482 35 HH22 ARG 3 HH22 ARG 3 6.361 -9.537 -4.389 36 H PHE 4 H PHE 4 6.064 -0.766 1.319 37 HA PHE 4 HA PHE 4 3.669 -1.421 0.956 38 HB2 PHE 4 HB1 PHE 4 4.482 -3.277 3.128 39 HB3 PHE 4 HB2 PHE 4 2.837 -2.675 3.156 40 HD1 PHE 4 HD1 PHE 4 2.479 -2.590 0.009 41 HD2 PHE 4 HD2 PHE 4 3.643 -5.528 2.925 42 HE1 PHE 4 HE1 PHE 4 1.564 -4.341 -1.438 43 HE2 PHE 4 HE2 PHE 4 2.645 -7.294 1.496 44 HZ PHE 4 HZ PHE 4 1.666 -6.716 -0.717 45 H ASP 5 H ASP 5 4.312 1.386 1.700 46 HA ASP 5 HA ASP 5 1.506 1.168 2.412 47 HB2 ASP 5 HB1 ASP 5 1.538 3.619 2.517 48 HB3 ASP 5 HB2 ASP 5 2.584 2.790 3.644 49 H LEU 6 H LEU 6 2.345 0.159 -0.157 50 HA LEU 6 HA LEU 6 0.171 1.643 -1.662 51 HB2 LEU 6 HB1 LEU 6 1.004 1.057 -3.713 52 HB3 LEU 6 HB2 LEU 6 2.189 1.964 -2.802 53 HG LEU 6 HG LEU 6 3.742 0.287 -2.800 54 HD11 LEU 6 HD21 LEU 6 3.288 -2.116 -3.185 55 HD12 LEU 6 HD22 LEU 6 2.536 -1.488 -1.717 56 HD13 LEU 6 HD23 LEU 6 1.546 -1.800 -3.168 57 HD21 LEU 6 HD11 LEU 6 3.191 0.961 -5.119 58 HD22 LEU 6 HD12 LEU 6 2.043 -0.398 -5.231 59 HD23 LEU 6 HD13 LEU 6 3.780 -0.711 -5.039 60 H LEU 7 H LEU 7 0.055 -0.772 0.304 61 HA LEU 7 HA LEU 7 -2.277 -1.721 -1.302 62 HB2 LEU 7 HB1 LEU 7 -2.236 -3.866 -0.732 63 HB3 LEU 7 HB2 LEU 7 -0.515 -3.566 -0.871 64 HG LEU 7 HG LEU 7 -2.172 -3.753 1.717 65 HD11 LEU 7 HD21 LEU 7 -1.989 -5.918 1.195 66 HD12 LEU 7 HD22 LEU 7 -0.579 -5.707 0.160 67 HD13 LEU 7 HD23 LEU 7 -0.379 -5.762 1.918 68 HD21 LEU 7 HD11 LEU 7 -0.524 -2.363 2.502 69 HD22 LEU 7 HD12 LEU 7 0.543 -2.700 1.219 70 HD23 LEU 7 HD13 LEU 7 0.418 -3.852 2.564 71 H LYS 8 H LYS 8 -1.248 -0.391 1.790 72 HA LYS 8 HA LYS 8 -3.951 -0.701 2.920 73 HB2 LYS 8 HB1 LYS 8 -1.890 1.340 3.740 74 HB3 LYS 8 HB2 LYS 8 -3.308 0.818 4.622 75 HG2 LYS 8 HG1 LYS 8 -0.614 -0.382 4.398 76 HG3 LYS 8 HG2 LYS 8 -1.635 -0.261 5.806 77 HD2 LYS 8 HD1 LYS 8 -2.378 -2.309 3.725 78 HD3 LYS 8 HD2 LYS 8 -0.871 -2.526 4.617 79 HE2 LYS 8 HE1 LYS 8 -1.987 -2.731 6.702 80 HE3 LYS 8 HE2 LYS 8 -3.557 -2.363 5.968 81 HZ1 LYS 8 HZ1 LYS 8 -3.203 -4.770 6.173 82 HZ2 LYS 8 HZ2 LYS 8 -1.844 -4.693 5.260 83 HZ3 LYS 8 HZ3 LYS 8 -3.305 -4.356 4.591 84 H ARG 9 H ARG 9 -2.255 1.835 1.108 85 HA ARG 9 HA ARG 9 -4.322 3.336 0.096 86 HB2 ARG 9 HB1 ARG 9 -1.623 2.784 -0.522 87 HB3 ARG 9 HB2 ARG 9 -2.439 2.410 -2.013 88 HG2 ARG 9 HG1 ARG 9 -3.346 5.000 -0.866 89 HG3 ARG 9 HG2 ARG 9 -1.600 4.914 -1.042 90 HD2 ARG 9 HD1 ARG 9 -2.399 5.866 -3.042 91 HD3 ARG 9 HD2 ARG 9 -1.899 4.214 -3.439 92 HE ARG 9 HE ARG 9 -4.759 4.699 -2.780 93 HH11 ARG 9 HH11 ARG 9 -2.486 3.946 -5.332 94 HH12 ARG 9 HH12 ARG 9 -3.749 3.609 -6.483 95 HH21 ARG 9 HH21 ARG 9 -6.296 4.336 -4.297 96 HH22 ARG 9 HH22 ARG 9 -5.860 3.885 -5.922 97 H ILE 10 H ILE 10 -4.006 -0.093 -0.738 98 HA ILE 10 HA ILE 10 -6.007 0.213 -2.943 99 HB ILE 10 HB ILE 10 -4.356 -2.205 -2.143 100 HG12 ILE 10 HG13 ILE 10 -4.290 -0.613 -4.754 101 HG13 ILE 10 HG12 ILE 10 -3.199 -0.286 -3.418 102 HG21 ILE 10 HG21 ILE 10 -5.298 -3.295 -4.159 103 HG22 ILE 10 HG22 ILE 10 -6.572 -2.932 -3.006 104 HG23 ILE 10 HG23 ILE 10 -6.360 -1.903 -4.438 105 HD11 ILE 10 HD11 ILE 10 -3.304 -2.824 -5.096 106 HD12 ILE 10 HD12 ILE 10 -2.391 -2.701 -3.574 107 HD13 ILE 10 HD13 ILE 10 -1.995 -1.650 -4.945 108 H LEU 11 H LEU 11 -5.606 -1.230 0.300 109 HA LEU 11 HA LEU 11 -8.248 -2.438 0.244 110 HB2 LEU 11 HB1 LEU 11 -7.477 -3.768 1.807 111 HB3 LEU 11 HB2 LEU 11 -5.918 -3.107 1.437 112 HG LEU 11 HG LEU 11 -6.823 -1.355 3.446 113 HD11 LEU 11 HD21 LEU 11 -8.777 -2.913 3.898 114 HD12 LEU 11 HD22 LEU 11 -7.638 -4.223 4.200 115 HD13 LEU 11 HD23 LEU 11 -7.664 -2.791 5.262 116 HD21 LEU 11 HD11 LEU 11 -5.393 -3.889 4.213 117 HD22 LEU 11 HD12 LEU 11 -4.592 -2.692 3.170 118 HD23 LEU 11 HD13 LEU 11 -5.204 -2.204 4.774 119 H LYS 12 H LYS 12 -7.583 0.693 0.574 120 HA LYS 12 HA LYS 12 -8.640 2.540 1.431 121 HB2 LYS 12 HB1 LYS 12 -10.860 1.047 2.759 122 HB3 LYS 12 HB2 LYS 12 -10.887 2.621 2.017 123 HG2 LYS 12 HG1 LYS 12 -10.965 -0.043 0.501 124 HG3 LYS 12 HG2 LYS 12 -12.350 0.899 1.028 125 HD2 LYS 12 HD1 LYS 12 -11.279 2.817 -0.464 126 HD3 LYS 12 HD2 LYS 12 -10.455 1.429 -1.244 127 HE2 LYS 12 HE1 LYS 12 -12.739 0.304 -1.431 128 HE3 LYS 12 HE2 LYS 12 -13.468 1.772 -0.778 129 HZ1 LYS 12 HZ1 LYS 12 -13.635 1.790 -3.147 130 HZ2 LYS 12 HZ2 LYS 12 -12.027 1.541 -3.356 131 HZ3 LYS 12 HZ3 LYS 12 -12.575 2.969 -2.730 Start of MODEL 10 1 H1 VAL 1 H VAL 1 10.663 -2.205 -7.613 2 HA VAL 1 HA VAL 1 11.308 -0.557 -5.270 3 HB VAL 1 HB VAL 1 9.872 1.338 -6.716 4 HG11 VAL 1 HG21 VAL 1 11.697 1.759 -5.169 5 HG12 VAL 1 HG22 VAL 1 11.946 2.622 -6.692 6 HG13 VAL 1 HG23 VAL 1 12.866 1.142 -6.361 7 HG21 VAL 1 HG11 VAL 1 11.077 1.839 -8.765 8 HG22 VAL 1 HG12 VAL 1 11.968 0.314 -8.657 9 HG23 VAL 1 HG13 VAL 1 10.204 0.307 -8.912 10 H ARG 2 H ARG 2 9.433 0.545 -4.439 11 HA ARG 2 HA ARG 2 7.288 0.822 -3.755 12 HB2 ARG 2 HB1 ARG 2 7.592 1.392 -6.434 13 HB3 ARG 2 HB2 ARG 2 6.209 0.341 -6.501 14 HG2 ARG 2 HG1 ARG 2 6.563 3.019 -5.140 15 HG3 ARG 2 HG2 ARG 2 5.414 2.587 -6.396 16 HD2 ARG 2 HD1 ARG 2 3.884 1.692 -4.915 17 HD3 ARG 2 HD2 ARG 2 5.083 1.247 -3.709 18 HE ARG 2 HE ARG 2 3.606 3.648 -3.694 19 HH11 ARG 2 HH12 ARG 2 6.933 2.879 -3.066 20 HH12 ARG 2 HH11 ARG 2 6.829 3.588 -1.477 21 HH21 ARG 2 HH22 ARG 2 3.711 4.687 -1.646 22 HH22 ARG 2 HH21 ARG 2 4.908 4.190 -0.615 23 H ARG 3 H ARG 3 7.900 -2.001 -3.268 24 HA ARG 3 HA ARG 3 5.034 -1.960 -2.466 25 HB2 ARG 3 HB1 ARG 3 4.404 -3.881 -3.143 26 HB3 ARG 3 HB2 ARG 3 5.764 -3.882 -4.183 27 HG2 ARG 3 HG1 ARG 3 6.034 -5.274 -1.501 28 HG3 ARG 3 HG2 ARG 3 5.025 -5.965 -2.743 29 HD2 ARG 3 HD1 ARG 3 7.857 -5.148 -3.401 30 HD3 ARG 3 HD2 ARG 3 7.522 -6.691 -2.620 31 HE ARG 3 HE ARG 3 6.995 -5.960 -5.400 32 HH11 ARG 3 HH12 ARG 3 6.261 -8.368 -2.957 33 HH12 ARG 3 HH11 ARG 3 5.574 -9.464 -4.119 34 HH21 ARG 3 HH22 ARG 3 6.069 -7.428 -6.824 35 HH22 ARG 3 HH21 ARG 3 5.448 -8.929 -6.224 36 H PHE 4 H PHE 4 5.800 -0.559 -0.720 37 HA PHE 4 HA PHE 4 3.863 -1.808 0.053 38 HB2 PHE 4 HB1 PHE 4 5.880 -3.198 1.651 39 HB3 PHE 4 HB2 PHE 4 4.442 -2.865 2.505 40 HD1 PHE 4 HD1 PHE 4 3.590 -3.440 -1.081 41 HD2 PHE 4 HD2 PHE 4 4.513 -5.298 2.704 42 HE1 PHE 4 HE1 PHE 4 2.447 -5.495 -1.810 43 HE2 PHE 4 HE2 PHE 4 3.282 -7.317 1.994 44 HZ PHE 4 HZ PHE 4 2.274 -7.440 -0.275 45 H ASP 5 H ASP 5 4.739 1.189 0.633 46 HA ASP 5 HA ASP 5 2.007 1.119 1.726 47 HB2 ASP 5 HB1 ASP 5 2.125 3.566 1.778 48 HB3 ASP 5 HB2 ASP 5 3.136 2.699 2.889 49 H LEU 6 H LEU 6 1.849 -0.223 -0.410 50 HA LEU 6 HA LEU 6 0.035 1.572 -1.908 51 HB2 LEU 6 HB1 LEU 6 0.510 0.823 -4.030 52 HB3 LEU 6 HB2 LEU 6 1.972 1.448 -3.302 53 HG LEU 6 HG LEU 6 3.104 -0.481 -3.494 54 HD11 LEU 6 HD21 LEU 6 2.148 -2.776 -3.731 55 HD12 LEU 6 HD22 LEU 6 0.573 -2.135 -3.289 56 HD13 LEU 6 HD23 LEU 6 1.949 -2.054 -2.132 57 HD21 LEU 6 HD11 LEU 6 2.283 0.219 -5.745 58 HD22 LEU 6 HD12 LEU 6 0.905 -0.893 -5.566 59 HD23 LEU 6 HD13 LEU 6 2.559 -1.520 -5.679 60 H LEU 7 H LEU 7 0.241 -1.175 -0.164 61 HA LEU 7 HA LEU 7 -2.555 -1.836 -0.955 62 HB2 LEU 7 HB1 LEU 7 -2.354 -3.996 0.021 63 HB3 LEU 7 HB2 LEU 7 -1.352 -3.756 -1.378 64 HG LEU 7 HG LEU 7 0.390 -4.581 -0.383 65 HD11 LEU 7 HD21 LEU 7 0.169 -2.906 2.151 66 HD12 LEU 7 HD22 LEU 7 1.094 -2.410 0.695 67 HD13 LEU 7 HD23 LEU 7 1.538 -3.847 1.574 68 HD21 LEU 7 HD11 LEU 7 -1.223 -4.820 2.183 69 HD22 LEU 7 HD12 LEU 7 -1.347 -5.931 0.804 70 HD23 LEU 7 HD13 LEU 7 0.173 -5.809 1.695 71 H LYS 8 H LYS 8 -0.428 -0.803 1.630 72 HA LYS 8 HA LYS 8 -2.613 0.002 3.333 73 HB2 LYS 8 HB1 LYS 8 0.073 1.343 2.940 74 HB3 LYS 8 HB2 LYS 8 -1.086 1.668 4.208 75 HG2 LYS 8 HG1 LYS 8 0.793 -0.649 3.899 76 HG3 LYS 8 HG2 LYS 8 0.430 0.330 5.310 77 HD2 LYS 8 HD1 LYS 8 -1.791 -0.922 5.513 78 HD3 LYS 8 HD2 LYS 8 -1.240 -1.940 4.176 79 HE2 LYS 8 HE1 LYS 8 -0.665 -3.260 5.948 80 HE3 LYS 8 HE2 LYS 8 0.857 -2.452 5.595 81 HZ1 LYS 8 HZ1 LYS 8 0.323 -2.512 7.981 82 HZ2 LYS 8 HZ2 LYS 8 -1.038 -1.639 7.741 83 HZ3 LYS 8 HZ3 LYS 8 0.436 -0.964 7.462 84 H ARG 9 H ARG 9 -2.039 0.754 0.103 85 HA ARG 9 HA ARG 9 -3.971 3.022 0.063 86 HB2 ARG 9 HB1 ARG 9 -1.935 3.308 -1.224 87 HB3 ARG 9 HB2 ARG 9 -2.197 1.799 -2.033 88 HG2 ARG 9 HG1 ARG 9 -3.269 2.625 -3.705 89 HG3 ARG 9 HG2 ARG 9 -4.426 3.510 -2.710 90 HD2 ARG 9 HD1 ARG 9 -3.076 5.441 -2.634 91 HD3 ARG 9 HD2 ARG 9 -1.599 4.571 -3.021 92 HE ARG 9 HE ARG 9 -3.697 5.468 -4.928 93 HH11 ARG 9 HH12 ARG 9 -0.454 4.259 -4.506 94 HH12 ARG 9 HH11 ARG 9 -0.070 4.425 -6.202 95 HH21 ARG 9 HH22 ARG 9 -3.153 5.559 -7.126 96 HH22 ARG 9 HH21 ARG 9 -1.554 5.122 -7.618 97 H ILE 10 H ILE 10 -3.958 -0.480 -0.994 98 HA ILE 10 HA ILE 10 -6.505 -0.100 -2.343 99 HB ILE 10 HB ILE 10 -6.660 -2.391 -2.760 100 HG12 ILE 10 HG13 ILE 10 -4.590 -2.876 -0.617 101 HG13 ILE 10 HG12 ILE 10 -6.207 -3.553 -0.790 102 HG21 ILE 10 HG21 ILE 10 -5.057 -1.020 -4.057 103 HG22 ILE 10 HG22 ILE 10 -3.727 -1.657 -3.062 104 HG23 ILE 10 HG23 ILE 10 -4.700 -2.738 -4.075 105 HD11 ILE 10 HD11 ILE 10 -4.630 -5.285 -1.311 106 HD12 ILE 10 HD12 ILE 10 -3.751 -4.254 -2.445 107 HD13 ILE 10 HD13 ILE 10 -5.396 -4.809 -2.836 108 H LEU 11 H LEU 11 -5.762 -0.868 1.049 109 HA LEU 11 HA LEU 11 -8.585 -1.317 1.621 110 HB2 LEU 11 HB1 LEU 11 -8.126 -1.487 3.756 111 HB3 LEU 11 HB2 LEU 11 -6.551 -1.908 3.140 112 HG LEU 11 HG LEU 11 -6.839 1.018 3.785 113 HD11 LEU 11 HD21 LEU 11 -8.338 0.080 5.511 114 HD12 LEU 11 HD22 LEU 11 -7.027 -0.998 6.045 115 HD13 LEU 11 HD23 LEU 11 -6.863 0.774 6.179 116 HD21 LEU 11 HD11 LEU 11 -4.910 -1.105 4.728 117 HD22 LEU 11 HD12 LEU 11 -4.742 -0.105 3.260 118 HD23 LEU 11 HD13 LEU 11 -4.733 0.666 4.861 119 H LYS 12 H LYS 12 -6.665 1.508 1.151 120 HA LYS 12 HA LYS 12 -6.944 3.716 1.064 121 HB2 LYS 12 HB1 LYS 12 -9.963 3.353 1.025 122 HB3 LYS 12 HB2 LYS 12 -9.087 4.859 0.956 123 HG2 LYS 12 HG1 LYS 12 -9.649 4.548 -1.216 124 HG3 LYS 12 HG2 LYS 12 -7.954 4.124 -1.149 125 HD2 LYS 12 HD1 LYS 12 -9.167 2.706 -2.662 126 HD3 LYS 12 HD2 LYS 12 -8.537 1.726 -1.355 127 HE2 LYS 12 HE1 LYS 12 -11.381 2.779 -1.246 128 HE3 LYS 12 HE2 LYS 12 -11.007 1.434 -2.321 129 HZ1 LYS 12 HZ1 LYS 12 -11.754 0.730 -0.081 130 HZ2 LYS 12 HZ2 LYS 12 -10.268 0.146 -0.458 131 HZ3 LYS 12 HZ3 LYS 12 -10.423 1.387 0.594 Start of MODEL 11 1 H1 VAL 1 H VAL 1 10.668 -2.910 -6.282 2 HA VAL 1 HA VAL 1 10.757 -3.630 -4.039 3 HB VAL 1 HB VAL 1 12.614 -1.246 -3.738 4 HG11 VAL 1 HG21 VAL 1 11.191 -0.844 -1.787 5 HG12 VAL 1 HG22 VAL 1 12.692 -1.597 -1.250 6 HG13 VAL 1 HG23 VAL 1 11.221 -2.576 -1.357 7 HG21 VAL 1 HG11 VAL 1 13.470 -3.571 -4.195 8 HG22 VAL 1 HG12 VAL 1 14.046 -2.918 -2.657 9 HG23 VAL 1 HG13 VAL 1 12.745 -4.113 -2.663 10 H ARG 2 H ARG 2 9.600 -0.882 -5.563 11 HA ARG 2 HA ARG 2 8.210 0.688 -3.843 12 HB2 ARG 2 HB1 ARG 2 7.885 -0.003 -6.746 13 HB3 ARG 2 HB2 ARG 2 6.552 0.865 -5.997 14 HG2 ARG 2 HG1 ARG 2 9.392 1.822 -5.590 15 HG3 ARG 2 HG2 ARG 2 8.469 2.279 -7.030 16 HD2 ARG 2 HD1 ARG 2 6.918 3.555 -5.844 17 HD3 ARG 2 HD2 ARG 2 7.064 2.585 -4.390 18 HE ARG 2 HE ARG 2 8.769 3.870 -3.593 19 HH11 ARG 2 HH12 ARG 2 8.117 5.004 -6.842 20 HH12 ARG 2 HH11 ARG 2 9.189 6.366 -6.672 21 HH21 ARG 2 HH22 ARG 2 10.134 5.584 -3.457 22 HH22 ARG 2 HH21 ARG 2 10.322 6.665 -4.800 23 H ARG 3 H ARG 3 7.481 -0.448 -2.166 24 HA ARG 3 HA ARG 3 4.686 -1.135 -2.011 25 HB2 ARG 3 HB1 ARG 3 5.513 -3.103 -3.111 26 HB3 ARG 3 HB2 ARG 3 6.856 -3.259 -2.035 27 HG2 ARG 3 HG1 ARG 3 4.247 -3.612 -0.689 28 HG3 ARG 3 HG2 ARG 3 4.435 -4.657 -2.077 29 HD2 ARG 3 HD1 ARG 3 6.220 -4.627 0.374 30 HD3 ARG 3 HD2 ARG 3 5.098 -5.887 -0.148 31 HE ARG 3 HE ARG 3 6.558 -6.517 -1.925 32 HH11 ARG 3 HH12 ARG 3 8.228 -4.582 0.428 33 HH12 ARG 3 HH11 ARG 3 9.562 -4.228 -0.634 34 HH21 ARG 3 HH22 ARG 3 8.404 -6.131 -3.232 35 HH22 ARG 3 HH21 ARG 3 9.640 -5.076 -2.616 36 H PHE 4 H PHE 4 5.685 -2.719 0.471 37 HA PHE 4 HA PHE 4 3.822 -1.413 1.255 38 HB2 PHE 4 HB1 PHE 4 5.713 -2.975 2.907 39 HB3 PHE 4 HB2 PHE 4 4.318 -2.363 3.717 40 HD1 PHE 4 HD1 PHE 4 2.373 -2.675 1.155 41 HD2 PHE 4 HD2 PHE 4 5.042 -5.313 3.289 42 HE1 PHE 4 HE1 PHE 4 1.185 -4.598 0.245 43 HE2 PHE 4 HE2 PHE 4 3.730 -7.246 2.437 44 HZ PHE 4 HZ PHE 4 1.838 -6.895 0.870 45 H ASP 5 H ASP 5 4.536 1.511 1.228 46 HA ASP 5 HA ASP 5 2.338 1.205 2.957 47 HB2 ASP 5 HB1 ASP 5 1.911 3.602 2.373 48 HB3 ASP 5 HB2 ASP 5 3.446 3.122 3.146 49 H LEU 6 H LEU 6 2.451 0.005 -0.042 50 HA LEU 6 HA LEU 6 -0.133 1.033 -0.857 51 HB2 LEU 6 HB1 LEU 6 0.520 0.691 -2.924 52 HB3 LEU 6 HB2 LEU 6 2.063 0.690 -2.126 53 HG LEU 6 HG LEU 6 2.384 -0.865 -3.660 54 HD11 LEU 6 HD21 LEU 6 1.257 -2.948 -1.807 55 HD12 LEU 6 HD22 LEU 6 2.746 -2.919 -2.754 56 HD13 LEU 6 HD23 LEU 6 2.630 -1.913 -1.283 57 HD21 LEU 6 HD11 LEU 6 0.859 -2.568 -4.509 58 HD22 LEU 6 HD12 LEU 6 -0.419 -1.985 -3.400 59 HD23 LEU 6 HD13 LEU 6 0.223 -0.925 -4.695 60 H LEU 7 H LEU 7 0.186 -1.788 0.976 61 HA LEU 7 HA LEU 7 -2.504 -2.641 0.067 62 HB2 LEU 7 HB1 LEU 7 -2.641 -4.190 1.651 63 HB3 LEU 7 HB2 LEU 7 -0.969 -4.265 1.123 64 HG LEU 7 HG LEU 7 -2.137 -3.385 3.796 65 HD11 LEU 7 HD21 LEU 7 -0.832 -5.231 4.603 66 HD12 LEU 7 HD22 LEU 7 -1.515 -5.810 3.063 67 HD13 LEU 7 HD23 LEU 7 0.172 -5.245 3.128 68 HD21 LEU 7 HD11 LEU 7 -0.433 -1.677 3.436 69 HD22 LEU 7 HD12 LEU 7 0.693 -2.867 2.760 70 HD23 LEU 7 HD13 LEU 7 0.281 -2.925 4.483 71 H LYS 8 H LYS 8 -1.222 0.050 1.836 72 HA LYS 8 HA LYS 8 -3.926 0.634 2.909 73 HB2 LYS 8 HB1 LYS 8 -1.523 2.421 3.090 74 HB3 LYS 8 HB2 LYS 8 -3.021 2.541 3.952 75 HG2 LYS 8 HG1 LYS 8 -0.607 0.916 4.462 76 HG3 LYS 8 HG2 LYS 8 -1.619 1.749 5.603 77 HD2 LYS 8 HD1 LYS 8 -2.519 -0.918 4.442 78 HD3 LYS 8 HD2 LYS 8 -1.228 -0.838 5.635 79 HE2 LYS 8 HE1 LYS 8 -2.668 0.074 7.319 80 HE3 LYS 8 HE2 LYS 8 -4.006 0.222 6.182 81 HZ1 LYS 8 HZ1 LYS 8 -2.745 -2.376 6.927 82 HZ2 LYS 8 HZ2 LYS 8 -4.125 -1.780 7.594 83 HZ3 LYS 8 HZ3 LYS 8 -4.090 -2.178 6.003 84 H ARG 9 H ARG 9 -2.003 1.402 0.018 85 HA ARG 9 HA ARG 9 -4.260 2.843 -1.153 86 HB2 ARG 9 HB1 ARG 9 -1.988 1.349 -2.478 87 HB3 ARG 9 HB2 ARG 9 -3.450 1.699 -3.369 88 HG2 ARG 9 HG1 ARG 9 -3.162 4.171 -2.735 89 HG3 ARG 9 HG2 ARG 9 -1.545 3.741 -2.176 90 HD2 ARG 9 HD1 ARG 9 -1.379 4.550 -4.454 91 HD3 ARG 9 HD2 ARG 9 -1.039 2.807 -4.452 92 HE ARG 9 HE ARG 9 -3.722 3.969 -5.196 93 HH11 ARG 9 HH11 ARG 9 -1.050 2.251 -6.500 94 HH12 ARG 9 HH12 ARG 9 -2.038 1.160 -7.439 95 HH21 ARG 9 HH21 ARG 9 -5.011 2.427 -6.318 96 HH22 ARG 9 HH22 ARG 9 -4.202 1.277 -7.335 97 H ILE 10 H ILE 10 -3.694 -0.760 -1.334 98 HA ILE 10 HA ILE 10 -6.117 -1.248 -2.680 99 HB ILE 10 HB ILE 10 -4.759 -3.113 -0.703 100 HG12 ILE 10 HG12 ILE 10 -4.616 -3.245 -3.754 101 HG13 ILE 10 HG13 ILE 10 -3.469 -2.288 -2.826 102 HG21 ILE 10 HG21 ILE 10 -5.960 -4.944 -1.845 103 HG22 ILE 10 HG22 ILE 10 -7.135 -3.819 -1.182 104 HG23 ILE 10 HG23 ILE 10 -6.774 -3.787 -2.919 105 HD11 ILE 10 HD11 ILE 10 -2.401 -4.362 -3.201 106 HD12 ILE 10 HD12 ILE 10 -2.908 -4.399 -1.500 107 HD13 ILE 10 HD13 ILE 10 -3.832 -5.295 -2.731 108 H LEU 11 H LEU 11 -5.801 -0.988 0.919 109 HA LEU 11 HA LEU 11 -8.599 -1.646 1.288 110 HB2 LEU 11 HB1 LEU 11 -8.013 -2.115 3.338 111 HB3 LEU 11 HB2 LEU 11 -6.364 -1.818 2.840 112 HG LEU 11 HG LEU 11 -7.198 0.686 3.657 113 HD11 LEU 11 HD21 LEU 11 -9.284 -0.123 4.659 114 HD12 LEU 11 HD22 LEU 11 -8.156 0.451 5.887 115 HD13 LEU 11 HD23 LEU 11 -8.352 -1.310 5.617 116 HD21 LEU 11 HD11 LEU 11 -5.832 0.478 5.504 117 HD22 LEU 11 HD12 LEU 11 -5.082 -0.450 4.186 118 HD23 LEU 11 HD13 LEU 11 -5.952 -1.319 5.489 119 H LYS 12 H LYS 12 -7.572 1.129 -0.067 120 HA LYS 12 HA LYS 12 -8.019 3.342 0.020 121 HB2 LYS 12 HB1 LYS 12 -10.570 2.918 1.605 122 HB3 LYS 12 HB2 LYS 12 -10.131 4.266 0.601 123 HG2 LYS 12 HG1 LYS 12 -12.023 3.023 -0.263 124 HG3 LYS 12 HG2 LYS 12 -10.712 3.053 -1.442 125 HD2 LYS 12 HD1 LYS 12 -10.143 0.746 -0.908 126 HD3 LYS 12 HD2 LYS 12 -11.326 0.721 0.429 127 HE2 LYS 12 HE1 LYS 12 -13.163 0.765 -1.168 128 HE3 LYS 12 HE2 LYS 12 -12.028 0.995 -2.514 129 HZ1 LYS 12 HZ1 LYS 12 -12.563 -1.342 -2.336 130 HZ2 LYS 12 HZ2 LYS 12 -10.996 -1.147 -1.859 131 HZ3 LYS 12 HZ3 LYS 12 -12.167 -1.381 -0.739 Start of MODEL 12 1 H1 VAL 1 H VAL 1 11.668 -1.167 -0.767 2 HA VAL 1 HA VAL 1 9.272 -0.487 0.474 3 HB VAL 1 HB VAL 1 10.242 1.764 0.808 4 HG11 VAL 1 HG21 VAL 1 10.813 -0.131 2.263 5 HG12 VAL 1 HG22 VAL 1 12.164 1.000 2.119 6 HG13 VAL 1 HG23 VAL 1 12.198 -0.533 1.229 7 HG21 VAL 1 HG11 VAL 1 11.383 2.084 -1.371 8 HG22 VAL 1 HG12 VAL 1 12.492 2.300 -0.009 9 HG23 VAL 1 HG13 VAL 1 12.537 0.802 -0.947 10 H ARG 2 H ARG 2 9.431 -0.788 -2.678 11 HA ARG 2 HA ARG 2 7.015 0.962 -2.825 12 HB2 ARG 2 HB1 ARG 2 9.024 1.261 -4.566 13 HB3 ARG 2 HB2 ARG 2 8.161 -0.016 -5.415 14 HG2 ARG 2 HG1 ARG 2 7.583 2.293 -6.143 15 HG3 ARG 2 HG2 ARG 2 6.170 1.395 -5.584 16 HD2 ARG 2 HD1 ARG 2 5.794 2.805 -3.810 17 HD3 ARG 2 HD2 ARG 2 7.507 2.973 -3.453 18 HE ARG 2 HE ARG 2 7.592 4.926 -4.533 19 HH11 ARG 2 HH12 ARG 2 4.812 3.352 -5.942 20 HH12 ARG 2 HH11 ARG 2 4.266 4.814 -6.722 21 HH21 ARG 2 HH22 ARG 2 6.806 6.762 -5.474 22 HH22 ARG 2 HH21 ARG 2 5.363 6.704 -6.435 23 H ARG 3 H ARG 3 7.677 -2.035 -2.022 24 HA ARG 3 HA ARG 3 4.853 -1.911 -1.847 25 HB2 ARG 3 HB1 ARG 3 3.967 -3.665 -2.718 26 HB3 ARG 3 HB2 ARG 3 5.206 -3.435 -3.885 27 HG2 ARG 3 HG1 ARG 3 5.233 -5.694 -1.800 28 HG3 ARG 3 HG2 ARG 3 4.318 -5.691 -3.274 29 HD2 ARG 3 HD1 ARG 3 6.650 -5.231 -4.430 30 HD3 ARG 3 HD2 ARG 3 7.263 -6.019 -2.969 31 HE ARG 3 HE ARG 3 5.481 -7.153 -5.085 32 HH11 ARG 3 HH12 ARG 3 7.323 -7.908 -2.207 33 HH12 ARG 3 HH11 ARG 3 7.074 -9.620 -2.400 34 HH21 ARG 3 HH22 ARG 3 5.082 -9.337 -5.182 35 HH22 ARG 3 HH21 ARG 3 5.817 -10.391 -4.023 36 H PHE 4 H PHE 4 5.625 -1.209 0.345 37 HA PHE 4 HA PHE 4 3.345 -2.327 0.481 38 HB2 PHE 4 HB1 PHE 4 4.924 -4.042 2.318 39 HB3 PHE 4 HB2 PHE 4 3.325 -3.689 2.816 40 HD1 PHE 4 HD1 PHE 4 3.080 -3.879 -0.780 41 HD2 PHE 4 HD2 PHE 4 3.428 -6.214 2.831 42 HE1 PHE 4 HE1 PHE 4 2.175 -5.838 -1.957 43 HE2 PHE 4 HE2 PHE 4 2.392 -8.139 1.661 44 HZ PHE 4 HZ PHE 4 1.783 -7.963 -0.741 45 H ASP 5 H ASP 5 4.179 0.497 1.182 46 HA ASP 5 HA ASP 5 1.469 0.321 2.524 47 HB2 ASP 5 HB1 ASP 5 1.656 2.522 3.265 48 HB3 ASP 5 HB2 ASP 5 3.170 1.734 3.713 49 H LEU 6 H LEU 6 2.270 -0.183 -0.312 50 HA LEU 6 HA LEU 6 0.056 1.537 -1.383 51 HB2 LEU 6 HB1 LEU 6 0.487 0.862 -3.593 52 HB3 LEU 6 HB2 LEU 6 1.751 1.823 -2.820 53 HG LEU 6 HG LEU 6 3.317 0.125 -2.883 54 HD11 LEU 6 HD21 LEU 6 2.158 -1.794 -1.930 55 HD12 LEU 6 HD22 LEU 6 2.766 -2.221 -3.562 56 HD13 LEU 6 HD23 LEU 6 1.053 -1.865 -3.341 57 HD21 LEU 6 HD11 LEU 6 1.530 -0.424 -5.330 58 HD22 LEU 6 HD12 LEU 6 3.278 -0.708 -5.208 59 HD23 LEU 6 HD13 LEU 6 2.654 0.960 -5.162 60 H LEU 7 H LEU 7 0.379 -1.820 -0.265 61 HA LEU 7 HA LEU 7 -2.446 -2.089 -1.234 62 HB2 LEU 7 HB1 LEU 7 -1.416 -4.133 0.613 63 HB3 LEU 7 HB2 LEU 7 -2.640 -4.179 -0.665 64 HG LEU 7 HG LEU 7 0.368 -4.203 -1.007 65 HD11 LEU 7 HD21 LEU 7 -1.822 -6.265 -1.562 66 HD12 LEU 7 HD22 LEU 7 -0.077 -6.514 -1.755 67 HD13 LEU 7 HD23 LEU 7 -0.757 -6.248 -0.138 68 HD21 LEU 7 HD11 LEU 7 -1.537 -4.701 -3.298 69 HD22 LEU 7 HD12 LEU 7 -0.982 -3.038 -2.949 70 HD23 LEU 7 HD13 LEU 7 0.192 -4.312 -3.310 71 H LYS 8 H LYS 8 -0.727 -1.029 1.600 72 HA LYS 8 HA LYS 8 -3.311 -0.556 2.981 73 HB2 LYS 8 HB1 LYS 8 -0.680 0.626 3.855 74 HB3 LYS 8 HB2 LYS 8 -2.143 0.336 4.783 75 HG2 LYS 8 HG1 LYS 8 -0.093 -1.697 3.833 76 HG3 LYS 8 HG2 LYS 8 -0.472 -1.229 5.492 77 HD2 LYS 8 HD1 LYS 8 -2.623 -2.419 5.398 78 HD3 LYS 8 HD2 LYS 8 -2.387 -2.751 3.674 79 HE2 LYS 8 HE1 LYS 8 -1.794 -4.765 4.616 80 HE3 LYS 8 HE2 LYS 8 -0.241 -3.991 4.278 81 HZ1 LYS 8 HZ1 LYS 8 -0.225 -4.972 6.464 82 HZ2 LYS 8 HZ2 LYS 8 -0.179 -3.341 6.657 83 HZ3 LYS 8 HZ3 LYS 8 -1.575 -4.172 6.925 84 H ARG 9 H ARG 9 -2.184 0.514 0.225 85 HA ARG 9 HA ARG 9 -3.827 2.984 0.470 86 HB2 ARG 9 HB1 ARG 9 -1.582 3.431 -0.446 87 HB3 ARG 9 HB2 ARG 9 -1.895 2.290 -1.777 88 HG2 ARG 9 HG1 ARG 9 -3.632 3.653 -2.685 89 HG3 ARG 9 HG2 ARG 9 -3.585 4.738 -1.276 90 HD2 ARG 9 HD1 ARG 9 -1.185 4.298 -3.111 91 HD3 ARG 9 HD2 ARG 9 -2.442 5.468 -3.514 92 HE ARG 9 HE ARG 9 -0.272 5.817 -1.682 93 HH11 ARG 9 HH12 ARG 9 -3.647 6.674 -1.749 94 HH12 ARG 9 HH11 ARG 9 -3.374 8.173 -0.882 95 HH21 ARG 9 HH22 ARG 9 0.015 7.786 -0.728 96 HH22 ARG 9 HH21 ARG 9 -1.354 8.788 -0.347 97 H ILE 10 H ILE 10 -3.800 -0.264 -0.886 98 HA ILE 10 HA ILE 10 -6.207 0.325 -2.517 99 HB ILE 10 HB ILE 10 -4.643 -2.223 -2.037 100 HG12 ILE 10 HG12 ILE 10 -5.204 -0.669 -4.618 101 HG13 ILE 10 HG13 ILE 10 -3.819 -0.308 -3.591 102 HG21 ILE 10 HG21 ILE 10 -6.123 -3.263 -3.782 103 HG22 ILE 10 HG22 ILE 10 -6.985 -2.934 -2.280 104 HG23 ILE 10 HG23 ILE 10 -7.207 -1.864 -3.680 105 HD11 ILE 10 HD11 ILE 10 -3.016 -1.665 -5.336 106 HD12 ILE 10 HD12 ILE 10 -3.034 -2.677 -3.875 107 HD13 ILE 10 HD13 ILE 10 -4.287 -2.883 -5.121 108 H LEU 11 H LEU 11 -5.468 -1.125 0.632 109 HA LEU 11 HA LEU 11 -8.339 -0.663 1.372 110 HB2 LEU 11 HB1 LEU 11 -6.164 -2.379 2.402 111 HB3 LEU 11 HB2 LEU 11 -6.964 -1.507 3.676 112 HG LEU 11 HG LEU 11 -7.892 -3.733 3.302 113 HD11 LEU 11 HD21 LEU 11 -9.299 -2.032 4.344 114 HD12 LEU 11 HD22 LEU 11 -9.886 -1.491 2.755 115 HD13 LEU 11 HD23 LEU 11 -10.273 -3.118 3.339 116 HD21 LEU 11 HD11 LEU 11 -9.219 -4.325 1.403 117 HD22 LEU 11 HD12 LEU 11 -7.639 -3.782 0.803 118 HD23 LEU 11 HD13 LEU 11 -9.059 -2.712 0.689 119 H LYS 12 H LYS 12 -7.223 1.610 0.496 120 HA LYS 12 HA LYS 12 -8.205 3.145 2.658 121 HB2 LYS 12 HB1 LYS 12 -5.331 3.741 1.880 122 HB3 LYS 12 HB2 LYS 12 -6.403 5.038 2.346 123 HG2 LYS 12 HG1 LYS 12 -5.337 2.830 4.104 124 HG3 LYS 12 HG2 LYS 12 -5.160 4.573 4.254 125 HD2 LYS 12 HD1 LYS 12 -7.599 4.758 4.840 126 HD3 LYS 12 HD2 LYS 12 -7.734 3.002 4.692 127 HE2 LYS 12 HE1 LYS 12 -7.580 3.328 6.965 128 HE3 LYS 12 HE2 LYS 12 -5.999 2.723 6.468 129 HZ1 LYS 12 HZ1 LYS 12 -5.838 4.585 8.025 130 HZ2 LYS 12 HZ2 LYS 12 -6.658 5.571 7.009 131 HZ3 LYS 12 HZ3 LYS 12 -5.168 5.008 6.585 Start of MODEL 13 1 H1 VAL 1 H VAL 1 8.766 -2.623 1.263 2 HA VAL 1 HA VAL 1 10.807 -2.030 -0.395 3 HB VAL 1 HB VAL 1 9.469 -4.768 -0.321 4 HG11 VAL 1 HG21 VAL 1 11.888 -5.510 -0.646 5 HG12 VAL 1 HG22 VAL 1 11.163 -4.714 -2.053 6 HG13 VAL 1 HG23 VAL 1 12.311 -3.824 -1.009 7 HG21 VAL 1 HG11 VAL 1 9.967 -3.891 2.000 8 HG22 VAL 1 HG12 VAL 1 10.998 -5.245 1.542 9 HG23 VAL 1 HG13 VAL 1 11.647 -3.589 1.492 10 H ARG 2 H ARG 2 10.050 -0.555 -1.710 11 HA ARG 2 HA ARG 2 9.024 0.543 -3.416 12 HB2 ARG 2 HB1 ARG 2 10.704 -1.057 -4.538 13 HB3 ARG 2 HB2 ARG 2 9.305 -1.986 -5.064 14 HG2 ARG 2 HG1 ARG 2 10.040 -0.563 -6.851 15 HG3 ARG 2 HG2 ARG 2 8.489 0.073 -6.318 16 HD2 ARG 2 HD1 ARG 2 9.429 1.986 -5.354 17 HD3 ARG 2 HD2 ARG 2 10.993 1.189 -5.074 18 HE ARG 2 HE ARG 2 10.350 1.529 -7.900 19 HH11 ARG 2 HH12 ARG 2 11.802 3.157 -5.165 20 HH12 ARG 2 HH11 ARG 2 12.948 4.015 -6.152 21 HH21 ARG 2 HH21 ARG 2 11.886 2.645 -9.120 22 HH22 ARG 2 HH22 ARG 2 12.974 3.733 -8.322 23 H ARG 3 H ARG 3 7.180 -0.723 -1.636 24 HA ARG 3 HA ARG 3 4.917 0.329 -3.048 25 HB2 ARG 3 HB1 ARG 3 3.419 -1.543 -3.131 26 HB3 ARG 3 HB2 ARG 3 4.813 -1.845 -4.094 27 HG2 ARG 3 HG1 ARG 3 5.681 -3.185 -1.961 28 HG3 ARG 3 HG2 ARG 3 3.979 -3.110 -1.478 29 HD2 ARG 3 HD1 ARG 3 4.459 -5.207 -2.599 30 HD3 ARG 3 HD2 ARG 3 3.298 -4.266 -3.531 31 HE ARG 3 HE ARG 3 6.179 -4.748 -4.177 32 HH11 ARG 3 HH11 ARG 3 3.055 -3.757 -5.363 33 HH12 ARG 3 HH12 ARG 3 3.640 -3.495 -6.991 34 HH21 ARG 3 HH21 ARG 3 6.883 -4.280 -6.241 35 HH22 ARG 3 HH22 ARG 3 5.751 -3.776 -7.460 36 H PHE 4 H PHE 4 6.311 0.424 -0.234 37 HA PHE 4 HA PHE 4 3.830 0.032 1.254 38 HB2 PHE 4 HB1 PHE 4 6.519 -0.259 2.260 39 HB3 PHE 4 HB2 PHE 4 5.179 0.115 3.340 40 HD1 PHE 4 HD2 PHE 4 6.222 -2.255 0.582 41 HD2 PHE 4 HD1 PHE 4 3.516 -1.528 3.857 42 HE1 PHE 4 HE2 PHE 4 5.204 -4.500 0.254 43 HE2 PHE 4 HE1 PHE 4 2.490 -3.771 3.480 44 HZ PHE 4 HZ PHE 4 3.325 -5.228 1.681 45 H ASP 5 H ASP 5 4.206 2.775 -0.277 46 HA ASP 5 HA ASP 5 1.671 2.558 1.283 47 HB2 ASP 5 HB1 ASP 5 1.053 4.718 0.882 48 HB3 ASP 5 HB2 ASP 5 2.612 4.805 1.581 49 H LEU 6 H LEU 6 2.005 0.639 -0.605 50 HA LEU 6 HA LEU 6 -0.432 1.359 -2.193 51 HB2 LEU 6 HB1 LEU 6 0.348 0.416 -3.932 52 HB3 LEU 6 HB2 LEU 6 1.852 0.132 -3.130 53 HG LEU 6 HG LEU 6 1.458 -1.834 -4.099 54 HD11 LEU 6 HD21 LEU 6 1.162 -3.570 -2.633 55 HD12 LEU 6 HD22 LEU 6 1.675 -2.229 -1.586 56 HD13 LEU 6 HD23 LEU 6 -0.029 -2.739 -1.637 57 HD21 LEU 6 HD11 LEU 6 -0.355 -2.228 -5.192 58 HD22 LEU 6 HD12 LEU 6 -1.058 -2.910 -3.737 59 HD23 LEU 6 HD13 LEU 6 -1.367 -1.204 -4.125 60 H LEU 7 H LEU 7 0.680 -0.688 0.448 61 HA LEU 7 HA LEU 7 -1.616 -2.319 0.566 62 HB2 LEU 7 HB1 LEU 7 -0.907 -3.078 2.558 63 HB3 LEU 7 HB2 LEU 7 0.593 -2.566 1.818 64 HG LEU 7 HG LEU 7 -0.969 -0.911 3.872 65 HD11 LEU 7 HD21 LEU 7 0.002 -1.845 5.616 66 HD12 LEU 7 HD22 LEU 7 1.506 -2.225 4.785 67 HD13 LEU 7 HD23 LEU 7 0.082 -3.274 4.578 68 HD21 LEU 7 HD11 LEU 7 0.509 0.587 2.739 69 HD22 LEU 7 HD12 LEU 7 1.762 -0.652 2.581 70 HD23 LEU 7 HD13 LEU 7 1.424 0.090 4.155 71 H LYS 8 H LYS 8 -1.147 0.861 2.177 72 HA LYS 8 HA LYS 8 -3.801 0.933 3.171 73 HB2 LYS 8 HB1 LYS 8 -3.313 2.885 4.123 74 HB3 LYS 8 HB2 LYS 8 -1.679 2.363 3.812 75 HG2 LYS 8 HG1 LYS 8 -3.311 4.457 2.301 76 HG3 LYS 8 HG2 LYS 8 -1.907 4.719 3.336 77 HD2 LYS 8 HD1 LYS 8 -0.412 3.761 1.825 78 HD3 LYS 8 HD2 LYS 8 -1.644 3.020 0.849 79 HE2 LYS 8 HE1 LYS 8 -0.955 4.715 -0.518 80 HE3 LYS 8 HE2 LYS 8 -2.505 5.250 0.124 81 HZ1 LYS 8 HZ1 LYS 8 -1.393 7.136 0.628 82 HZ2 LYS 8 HZ2 LYS 8 -0.485 6.324 1.758 83 HZ3 LYS 8 HZ3 LYS 8 0.034 6.450 0.203 84 H ARG 9 H ARG 9 -2.876 0.992 0.026 85 HA ARG 9 HA ARG 9 -5.432 2.228 -0.847 86 HB2 ARG 9 HB1 ARG 9 -3.882 3.282 -2.097 87 HB3 ARG 9 HB2 ARG 9 -2.868 1.893 -2.333 88 HG2 ARG 9 HG1 ARG 9 -5.611 1.758 -3.536 89 HG3 ARG 9 HG2 ARG 9 -4.514 2.947 -4.227 90 HD2 ARG 9 HD1 ARG 9 -3.594 0.064 -3.881 91 HD3 ARG 9 HD2 ARG 9 -4.706 0.519 -5.181 92 HE ARG 9 HE ARG 9 -2.262 2.164 -4.958 93 HH11 ARG 9 HH11 ARG 9 -3.731 -0.548 -6.625 94 HH12 ARG 9 HH12 ARG 9 -2.836 -0.267 -8.087 95 HH21 ARG 9 HH21 ARG 9 -1.183 2.509 -6.911 96 HH22 ARG 9 HH22 ARG 9 -1.433 1.407 -8.224 97 H ILE 10 H ILE 10 -3.770 -0.994 -0.824 98 HA ILE 10 HA ILE 10 -6.089 -2.203 -2.097 99 HB ILE 10 HB ILE 10 -5.283 -4.281 -1.762 100 HG12 ILE 10 HG12 ILE 10 -3.697 -3.399 0.649 101 HG13 ILE 10 HG13 ILE 10 -5.014 -4.566 0.557 102 HG21 ILE 10 HG21 ILE 10 -3.097 -4.254 -2.650 103 HG22 ILE 10 HG22 ILE 10 -2.680 -2.726 -1.832 104 HG23 ILE 10 HG23 ILE 10 -3.863 -2.763 -3.181 105 HD11 ILE 10 HD11 ILE 10 -2.825 -5.656 0.863 106 HD12 ILE 10 HD12 ILE 10 -3.576 -6.128 -0.681 107 HD13 ILE 10 HD13 ILE 10 -2.221 -4.960 -0.636 108 H LEU 11 H LEU 11 -5.468 -1.467 1.366 109 HA LEU 11 HA LEU 11 -7.905 -2.820 2.110 110 HB2 LEU 11 HB1 LEU 11 -7.200 -2.672 4.146 111 HB3 LEU 11 HB2 LEU 11 -5.711 -2.104 3.494 112 HG LEU 11 HG LEU 11 -7.381 0.234 3.908 113 HD11 LEU 11 HD21 LEU 11 -8.761 -1.254 5.365 114 HD12 LEU 11 HD22 LEU 11 -7.991 0.074 6.239 115 HD13 LEU 11 HD23 LEU 11 -7.317 -1.572 6.356 116 HD21 LEU 11 HD11 LEU 11 -5.595 0.128 6.072 117 HD22 LEU 11 HD12 LEU 11 -4.734 -0.628 4.723 118 HD23 LEU 11 HD13 LEU 11 -5.459 0.995 4.554 119 H LYS 12 H LYS 12 -7.863 -0.116 0.276 120 HA LYS 12 HA LYS 12 -9.362 1.888 1.603 121 HB2 LYS 12 HB1 LYS 12 -9.107 1.077 -1.314 122 HB3 LYS 12 HB2 LYS 12 -10.203 2.395 -0.883 123 HG2 LYS 12 HG1 LYS 12 -8.525 3.846 -0.159 124 HG3 LYS 12 HG2 LYS 12 -7.328 2.549 -0.078 125 HD2 LYS 12 HD1 LYS 12 -6.752 3.604 -2.094 126 HD3 LYS 12 HD2 LYS 12 -7.736 2.246 -2.620 127 HE2 LYS 12 HE1 LYS 12 -8.400 3.966 -3.988 128 HE3 LYS 12 HE2 LYS 12 -9.710 3.831 -2.815 129 HZ1 LYS 12 HZ1 LYS 12 -9.044 6.140 -3.230 130 HZ2 LYS 12 HZ2 LYS 12 -7.516 5.845 -2.717 131 HZ3 LYS 12 HZ3 LYS 12 -8.774 5.757 -1.658 Start of MODEL 14 1 H1 VAL 1 H VAL 1 11.713 -1.713 -5.121 2 HA VAL 1 HA VAL 1 10.816 -3.208 -3.227 3 HB VAL 1 HB VAL 1 11.595 -0.634 -1.831 4 HG11 VAL 1 HG21 VAL 1 10.187 -1.335 0.174 5 HG12 VAL 1 HG22 VAL 1 9.344 -0.554 -1.148 6 HG13 VAL 1 HG23 VAL 1 9.261 -2.347 -0.959 7 HG21 VAL 1 HG11 VAL 1 12.971 -2.725 -1.685 8 HG22 VAL 1 HG12 VAL 1 11.589 -3.553 -0.913 9 HG23 VAL 1 HG13 VAL 1 12.378 -2.168 -0.102 10 H ARG 2 H ARG 2 10.164 0.282 -3.621 11 HA ARG 2 HA ARG 2 8.117 1.382 -3.634 12 HB2 ARG 2 HB1 ARG 2 8.982 1.070 -5.998 13 HB3 ARG 2 HB2 ARG 2 7.801 -0.224 -6.200 14 HG2 ARG 2 HG1 ARG 2 6.993 1.847 -7.175 15 HG3 ARG 2 HG2 ARG 2 5.955 1.415 -5.828 16 HD2 ARG 2 HD1 ARG 2 8.172 3.159 -4.960 17 HD3 ARG 2 HD2 ARG 2 7.312 3.881 -6.301 18 HE ARG 2 HE ARG 2 6.413 3.703 -3.582 19 HH11 ARG 2 HH12 ARG 2 5.078 3.593 -6.805 20 HH12 ARG 2 HH11 ARG 2 3.501 4.111 -6.287 21 HH21 ARG 2 HH22 ARG 2 4.399 4.377 -2.953 22 HH22 ARG 2 HH21 ARG 2 3.152 4.580 -4.144 23 H ARG 3 H ARG 3 7.978 -0.739 -1.988 24 HA ARG 3 HA ARG 3 5.258 -1.745 -2.371 25 HB2 ARG 3 HB1 ARG 3 7.053 -3.401 -2.640 26 HB3 ARG 3 HB2 ARG 3 7.351 -3.361 -0.918 27 HG2 ARG 3 HG1 ARG 3 5.592 -4.687 -0.533 28 HG3 ARG 3 HG2 ARG 3 4.504 -3.652 -1.463 29 HD2 ARG 3 HD1 ARG 3 6.121 -5.914 -2.644 30 HD3 ARG 3 HD2 ARG 3 4.393 -5.891 -2.203 31 HE ARG 3 HE ARG 3 4.515 -3.795 -3.944 32 HH11 ARG 3 HH12 ARG 3 5.596 -7.132 -4.393 33 HH12 ARG 3 HH11 ARG 3 5.332 -7.050 -6.106 34 HH21 ARG 3 HH22 ARG 3 4.209 -3.826 -6.151 35 HH22 ARG 3 HH21 ARG 3 4.542 -5.278 -7.042 36 H PHE 4 H PHE 4 5.972 -2.467 0.852 37 HA PHE 4 HA PHE 4 3.448 -1.475 1.176 38 HB2 PHE 4 HB1 PHE 4 5.319 -2.974 2.935 39 HB3 PHE 4 HB2 PHE 4 3.743 -2.552 3.537 40 HD1 PHE 4 HD2 PHE 4 3.100 -3.117 0.066 41 HD2 PHE 4 HD1 PHE 4 3.962 -5.083 3.815 42 HE1 PHE 4 HE2 PHE 4 2.020 -5.168 -0.763 43 HE2 PHE 4 HE1 PHE 4 2.824 -7.121 2.983 44 HZ PHE 4 HZ PHE 4 1.889 -7.182 0.683 45 H ASP 5 H ASP 5 4.415 1.277 1.136 46 HA ASP 5 HA ASP 5 1.858 1.281 2.681 47 HB2 ASP 5 HB1 ASP 5 1.697 3.697 2.461 48 HB3 ASP 5 HB2 ASP 5 2.951 3.078 3.494 49 H LEU 6 H LEU 6 2.524 0.100 -0.122 50 HA LEU 6 HA LEU 6 0.091 1.288 -1.362 51 HB2 LEU 6 HB1 LEU 6 0.855 1.117 -3.341 52 HB3 LEU 6 HB2 LEU 6 2.379 1.209 -2.475 53 HG LEU 6 HG LEU 6 2.824 -0.330 -4.074 54 HD11 LEU 6 HD21 LEU 6 2.908 -2.583 -3.215 55 HD12 LEU 6 HD22 LEU 6 1.739 -2.219 -1.941 56 HD13 LEU 6 HD23 LEU 6 3.296 -1.392 -1.947 57 HD21 LEU 6 HD11 LEU 6 1.397 -2.034 -5.011 58 HD22 LEU 6 HD12 LEU 6 0.115 -1.649 -3.835 59 HD23 LEU 6 HD13 LEU 6 0.593 -0.453 -5.080 60 H LEU 7 H LEU 7 0.570 -1.605 0.347 61 HA LEU 7 HA LEU 7 -2.158 -2.394 -0.594 62 HB2 LEU 7 HB1 LEU 7 -2.064 -4.320 0.484 63 HB3 LEU 7 HB2 LEU 7 -0.377 -4.132 0.035 64 HG LEU 7 HG LEU 7 -1.614 -3.622 2.797 65 HD11 LEU 7 HD21 LEU 7 -1.614 -5.884 2.639 66 HD12 LEU 7 HD22 LEU 7 0.046 -5.668 3.214 67 HD13 LEU 7 HD23 LEU 7 -0.273 -5.955 1.494 68 HD21 LEU 7 HD11 LEU 7 0.199 -2.209 2.989 69 HD22 LEU 7 HD12 LEU 7 1.058 -3.716 3.274 70 HD23 LEU 7 HD13 LEU 7 1.061 -2.971 1.672 71 H LYS 8 H LYS 8 -0.588 -0.493 1.918 72 HA LYS 8 HA LYS 8 -3.182 -0.092 3.241 73 HB2 LYS 8 HB1 LYS 8 -0.689 1.506 3.770 74 HB3 LYS 8 HB2 LYS 8 -2.170 1.469 4.692 75 HG2 LYS 8 HG1 LYS 8 0.167 -0.323 4.763 76 HG3 LYS 8 HG2 LYS 8 -0.829 0.238 6.070 77 HD2 LYS 8 HD1 LYS 8 -2.112 -1.852 4.382 78 HD3 LYS 8 HD2 LYS 8 -0.595 -2.339 5.103 79 HE2 LYS 8 HE1 LYS 8 -2.985 -1.380 6.715 80 HE3 LYS 8 HE2 LYS 8 -2.630 -3.055 6.296 81 HZ1 LYS 8 HZ1 LYS 8 -1.815 -2.653 8.467 82 HZ2 LYS 8 HZ2 LYS 8 -0.508 -2.848 7.511 83 HZ3 LYS 8 HZ3 LYS 8 -0.939 -1.345 8.022 84 H ARG 9 H ARG 9 -1.780 1.031 0.336 85 HA ARG 9 HA ARG 9 -4.024 2.925 -0.057 86 HB2 ARG 9 HB1 ARG 9 -2.141 1.675 -2.089 87 HB3 ARG 9 HB2 ARG 9 -3.395 2.813 -2.480 88 HG2 ARG 9 HG1 ARG 9 -1.328 3.615 -0.427 89 HG3 ARG 9 HG2 ARG 9 -0.884 3.570 -2.134 90 HD2 ARG 9 HD1 ARG 9 -2.764 5.127 -2.635 91 HD3 ARG 9 HD2 ARG 9 -3.129 5.209 -0.906 92 HE ARG 9 HE ARG 9 -0.567 6.101 -2.212 93 HH11 ARG 9 HH12 ARG 9 -2.858 6.639 0.396 94 HH12 ARG 9 HH11 ARG 9 -1.949 7.990 1.005 95 HH21 ARG 9 HH22 ARG 9 0.595 7.738 -1.268 96 HH22 ARG 9 HH21 ARG 9 -0.060 8.574 0.093 97 H ILE 10 H ILE 10 -3.505 -0.584 -0.847 98 HA ILE 10 HA ILE 10 -5.968 -0.583 -2.366 99 HB ILE 10 HB ILE 10 -4.328 -2.951 -1.489 100 HG12 ILE 10 HG12 ILE 10 -4.668 -1.840 -4.320 101 HG13 ILE 10 HG13 ILE 10 -3.468 -1.145 -3.251 102 HG21 ILE 10 HG21 ILE 10 -5.627 -4.200 -3.228 103 HG22 ILE 10 HG22 ILE 10 -6.663 -2.788 -3.476 104 HG23 ILE 10 HG23 ILE 10 -6.685 -3.662 -1.932 105 HD11 ILE 10 HD11 ILE 10 -2.329 -2.748 -4.564 106 HD12 ILE 10 HD12 ILE 10 -2.474 -3.463 -2.947 107 HD13 ILE 10 HD13 ILE 10 -3.544 -4.000 -4.266 108 H LEU 11 H LEU 11 -5.450 -1.166 1.118 109 HA LEU 11 HA LEU 11 -8.121 -2.065 1.573 110 HB2 LEU 11 HB1 LEU 11 -7.583 -2.153 3.681 111 HB3 LEU 11 HB2 LEU 11 -5.964 -1.768 3.199 112 HG LEU 11 HG LEU 11 -7.399 0.748 3.766 113 HD11 LEU 11 HD21 LEU 11 -8.907 -0.638 5.177 114 HD12 LEU 11 HD22 LEU 11 -7.878 0.439 6.129 115 HD13 LEU 11 HD23 LEU 11 -7.482 -1.291 6.028 116 HD21 LEU 11 HD11 LEU 11 -5.144 -0.711 5.160 117 HD22 LEU 11 HD12 LEU 11 -5.048 0.583 3.931 118 HD23 LEU 11 HD13 LEU 11 -5.687 0.945 5.521 119 H LYS 12 H LYS 12 -7.147 1.021 0.575 120 HA LYS 12 HA LYS 12 -7.860 2.852 2.153 121 HB2 LYS 12 HB1 LYS 12 -8.153 4.457 0.497 122 HB3 LYS 12 HB2 LYS 12 -7.076 3.266 -0.138 123 HG2 LYS 12 HG1 LYS 12 -9.828 4.047 -1.001 124 HG3 LYS 12 HG2 LYS 12 -8.376 3.922 -1.952 125 HD2 LYS 12 HD1 LYS 12 -9.986 1.511 -0.983 126 HD3 LYS 12 HD2 LYS 12 -10.229 2.350 -2.515 127 HE2 LYS 12 HE1 LYS 12 -7.832 1.863 -3.118 128 HE3 LYS 12 HE2 LYS 12 -7.731 0.871 -1.663 129 HZ1 LYS 12 HZ1 LYS 12 -9.729 0.378 -3.789 130 HZ2 LYS 12 HZ2 LYS 12 -8.286 -0.413 -3.683 131 HZ3 LYS 12 HZ3 LYS 12 -9.374 -0.582 -2.484 Start of MODEL 15 1 H1 VAL 1 H VAL 1 12.175 -1.790 -4.068 2 HA VAL 1 HA VAL 1 10.974 -2.473 -1.967 3 HB VAL 1 HB VAL 1 10.350 -0.339 -0.557 4 HG11 VAL 1 HG21 VAL 1 11.442 -2.274 0.395 5 HG12 VAL 1 HG22 VAL 1 12.210 -0.797 1.006 6 HG13 VAL 1 HG23 VAL 1 13.014 -1.754 -0.258 7 HG21 VAL 1 HG11 VAL 1 12.071 1.317 -0.249 8 HG22 VAL 1 HG12 VAL 1 11.709 1.301 -1.988 9 HG23 VAL 1 HG13 VAL 1 13.159 0.492 -1.379 10 H ARG 2 H ARG 2 10.012 0.885 -2.444 11 HA ARG 2 HA ARG 2 7.832 1.549 -2.780 12 HB2 ARG 2 HB1 ARG 2 8.924 0.783 -5.461 13 HB3 ARG 2 HB2 ARG 2 7.200 1.087 -5.374 14 HG2 ARG 2 HG1 ARG 2 8.148 3.155 -5.924 15 HG3 ARG 2 HG2 ARG 2 7.596 3.270 -4.266 16 HD2 ARG 2 HD1 ARG 2 9.626 4.011 -3.648 17 HD3 ARG 2 HD2 ARG 2 10.315 2.451 -4.075 18 HE ARG 2 HE ARG 2 11.186 3.320 -6.021 19 HH11 ARG 2 HH12 ARG 2 9.067 5.776 -4.688 20 HH12 ARG 2 HH11 ARG 2 9.462 6.922 -5.933 21 HH21 ARG 2 HH22 ARG 2 11.630 4.838 -7.594 22 HH22 ARG 2 HH21 ARG 2 10.864 6.391 -7.538 23 H ARG 3 H ARG 3 7.974 -0.941 -1.549 24 HA ARG 3 HA ARG 3 5.235 -1.861 -2.209 25 HB2 ARG 3 HB1 ARG 3 7.351 -3.504 -1.911 26 HB3 ARG 3 HB2 ARG 3 6.844 -3.438 -0.224 27 HG2 ARG 3 HG1 ARG 3 5.584 -5.245 -1.105 28 HG3 ARG 3 HG2 ARG 3 4.456 -3.882 -1.212 29 HD2 ARG 3 HD1 ARG 3 5.187 -3.574 -3.626 30 HD3 ARG 3 HD2 ARG 3 6.059 -5.113 -3.470 31 HE ARG 3 HE ARG 3 3.380 -5.520 -2.594 32 HH11 ARG 3 HH12 ARG 3 5.030 -5.004 -5.652 33 HH12 ARG 3 HH11 ARG 3 3.773 -5.792 -6.555 34 HH21 ARG 3 HH22 ARG 3 1.798 -6.492 -3.838 35 HH22 ARG 3 HH21 ARG 3 1.999 -6.579 -5.556 36 H PHE 4 H PHE 4 5.409 -2.566 0.973 37 HA PHE 4 HA PHE 4 3.040 -1.260 0.965 38 HB2 PHE 4 HB1 PHE 4 4.541 -2.446 3.283 39 HB3 PHE 4 HB2 PHE 4 2.835 -1.998 3.354 40 HD1 PHE 4 HD1 PHE 4 2.872 -3.217 0.120 41 HD2 PHE 4 HD2 PHE 4 3.363 -4.532 4.204 42 HE1 PHE 4 HE1 PHE 4 2.512 -5.565 -0.571 43 HE2 PHE 4 HE2 PHE 4 2.890 -6.861 3.500 44 HZ PHE 4 HZ PHE 4 2.527 -7.389 1.104 45 H ASP 5 H ASP 5 3.670 1.519 0.729 46 HA ASP 5 HA ASP 5 1.390 0.956 2.547 47 HB2 ASP 5 HB1 ASP 5 0.797 3.300 2.542 48 HB3 ASP 5 HB2 ASP 5 2.377 3.009 3.224 49 H LEU 6 H LEU 6 2.358 0.702 -0.637 50 HA LEU 6 HA LEU 6 -0.127 1.293 -1.783 51 HB2 LEU 6 HB1 LEU 6 0.692 0.784 -3.771 52 HB3 LEU 6 HB2 LEU 6 2.132 1.123 -2.833 53 HG LEU 6 HG LEU 6 2.838 -0.585 -4.088 54 HD11 LEU 6 HD21 LEU 6 3.008 -1.284 -1.672 55 HD12 LEU 6 HD22 LEU 6 3.145 -2.557 -2.904 56 HD13 LEU 6 HD23 LEU 6 1.648 -2.394 -1.972 57 HD21 LEU 6 HD11 LEU 6 1.665 -2.483 -4.951 58 HD22 LEU 6 HD12 LEU 6 0.223 -2.114 -3.979 59 HD23 LEU 6 HD13 LEU 6 0.735 -1.026 -5.283 60 H LEU 7 H LEU 7 0.033 -1.302 0.279 61 HA LEU 7 HA LEU 7 -2.457 -2.328 -1.030 62 HB2 LEU 7 HB1 LEU 7 -1.411 -3.736 1.348 63 HB3 LEU 7 HB2 LEU 7 -2.524 -4.257 0.090 64 HG LEU 7 HG LEU 7 0.475 -3.963 -0.128 65 HD11 LEU 7 HD21 LEU 7 -1.376 -6.394 -0.199 66 HD12 LEU 7 HD22 LEU 7 0.389 -6.441 -0.257 67 HD13 LEU 7 HD23 LEU 7 -0.429 -5.872 1.203 68 HD21 LEU 7 HD11 LEU 7 -1.158 -5.299 -2.286 69 HD22 LEU 7 HD12 LEU 7 0.522 -4.755 -2.322 70 HD23 LEU 7 HD13 LEU 7 -0.784 -3.567 -2.374 71 H LYS 8 H LYS 8 -1.349 -0.392 1.654 72 HA LYS 8 HA LYS 8 -4.169 0.088 2.370 73 HB2 LYS 8 HB1 LYS 8 -3.311 2.067 3.671 74 HB3 LYS 8 HB2 LYS 8 -3.115 0.457 4.306 75 HG2 LYS 8 HG1 LYS 8 -0.774 1.725 2.917 76 HG3 LYS 8 HG2 LYS 8 -1.233 2.325 4.480 77 HD2 LYS 8 HD1 LYS 8 -1.142 -0.145 5.277 78 HD3 LYS 8 HD2 LYS 8 -0.386 -0.501 3.737 79 HE2 LYS 8 HE1 LYS 8 0.922 -0.038 6.052 80 HE3 LYS 8 HE2 LYS 8 1.647 0.101 4.464 81 HZ1 LYS 8 HZ1 LYS 8 2.176 1.985 5.793 82 HZ2 LYS 8 HZ2 LYS 8 1.274 2.495 4.547 83 HZ3 LYS 8 HZ3 LYS 8 0.604 2.379 6.051 84 H ARG 9 H ARG 9 -2.508 0.697 -0.330 85 HA ARG 9 HA ARG 9 -4.493 2.801 -1.087 86 HB2 ARG 9 HB1 ARG 9 -2.331 3.218 -1.941 87 HB3 ARG 9 HB2 ARG 9 -2.141 1.576 -2.563 88 HG2 ARG 9 HG1 ARG 9 -3.700 1.889 -4.314 89 HG3 ARG 9 HG2 ARG 9 -4.297 3.402 -3.618 90 HD2 ARG 9 HD1 ARG 9 -1.543 2.897 -4.851 91 HD3 ARG 9 HD2 ARG 9 -2.861 3.805 -5.585 92 HE ARG 9 HE ARG 9 -0.903 4.772 -3.728 93 HH11 ARG 9 HH11 ARG 9 -4.329 5.221 -4.262 94 HH12 ARG 9 HH12 ARG 9 -4.293 6.873 -3.721 95 HH21 ARG 9 HH21 ARG 9 -0.903 6.933 -3.176 96 HH22 ARG 9 HH22 ARG 9 -2.398 7.813 -3.150 97 H ILE 10 H ILE 10 -3.982 -0.699 -1.516 98 HA ILE 10 HA ILE 10 -6.320 -0.981 -3.234 99 HB ILE 10 HB ILE 10 -4.847 -3.024 -1.543 100 HG12 ILE 10 HG13 ILE 10 -4.765 -2.627 -4.577 101 HG13 ILE 10 HG12 ILE 10 -3.583 -1.916 -3.487 102 HG21 ILE 10 HG21 ILE 10 -5.995 -4.743 -2.928 103 HG22 ILE 10 HG22 ILE 10 -7.154 -3.816 -1.989 104 HG23 ILE 10 HG23 ILE 10 -6.949 -3.474 -3.714 105 HD11 ILE 10 HD11 ILE 10 -2.523 -3.856 -4.196 106 HD12 ILE 10 HD12 ILE 10 -3.180 -4.314 -2.609 107 HD13 ILE 10 HD13 ILE 10 -3.991 -4.843 -4.096 108 H LEU 11 H LEU 11 -5.833 -1.139 0.314 109 HA LEU 11 HA LEU 11 -8.651 -1.629 0.777 110 HB2 LEU 11 HB1 LEU 11 -7.948 -2.379 2.710 111 HB3 LEU 11 HB2 LEU 11 -6.330 -2.084 2.176 112 HG LEU 11 HG LEU 11 -7.045 0.404 3.271 113 HD11 LEU 11 HD21 LEU 11 -9.158 -0.594 4.174 114 HD12 LEU 11 HD22 LEU 11 -8.061 -0.074 5.462 115 HD13 LEU 11 HD23 LEU 11 -8.201 -1.796 5.042 116 HD21 LEU 11 HD11 LEU 11 -5.905 -1.403 5.289 117 HD22 LEU 11 HD12 LEU 11 -5.031 -1.398 3.758 118 HD23 LEU 11 HD13 LEU 11 -5.334 0.128 4.614 119 H LYS 12 H LYS 12 -7.105 1.326 0.080 120 HA LYS 12 HA LYS 12 -9.596 2.679 0.515 121 HB2 LYS 12 HB1 LYS 12 -9.044 4.473 1.900 122 HB3 LYS 12 HB2 LYS 12 -8.692 3.013 2.783 123 HG2 LYS 12 HG1 LYS 12 -6.289 4.127 1.466 124 HG3 LYS 12 HG2 LYS 12 -7.087 5.303 2.471 125 HD2 LYS 12 HD1 LYS 12 -6.201 2.562 3.447 126 HD3 LYS 12 HD2 LYS 12 -5.252 4.049 3.565 127 HE2 LYS 12 HE1 LYS 12 -7.134 5.096 4.873 128 HE3 LYS 12 HE2 LYS 12 -7.953 3.528 4.883 129 HZ1 LYS 12 HZ1 LYS 12 -6.642 3.914 6.900 130 HZ2 LYS 12 HZ2 LYS 12 -6.070 2.610 6.087 131 HZ3 LYS 12 HZ3 LYS 12 -5.262 4.048 6.024 Start of MODEL 16 1 H1 VAL 1 H VAL 1 11.039 -1.785 -6.047 2 HA VAL 1 HA VAL 1 10.910 -2.845 -3.323 3 HB VAL 1 HB VAL 1 13.311 -2.112 -3.792 4 HG11 VAL 1 HG21 VAL 1 12.757 0.140 -4.730 5 HG12 VAL 1 HG22 VAL 1 13.832 0.227 -3.326 6 HG13 VAL 1 HG23 VAL 1 12.122 0.632 -3.138 7 HG21 VAL 1 HG11 VAL 1 12.418 -2.728 -1.555 8 HG22 VAL 1 HG12 VAL 1 13.643 -1.454 -1.480 9 HG23 VAL 1 HG13 VAL 1 11.937 -1.037 -1.291 10 H ARG 2 H ARG 2 9.760 -0.420 -5.470 11 HA ARG 2 HA ARG 2 8.344 1.199 -3.540 12 HB2 ARG 2 HB1 ARG 2 8.606 2.044 -5.771 13 HB3 ARG 2 HB2 ARG 2 7.872 0.610 -6.478 14 HG2 ARG 2 HG1 ARG 2 6.369 2.532 -6.603 15 HG3 ARG 2 HG2 ARG 2 5.663 1.234 -5.667 16 HD2 ARG 2 HD1 ARG 2 6.426 2.493 -3.557 17 HD3 ARG 2 HD2 ARG 2 6.813 3.856 -4.632 18 HE ARG 2 HE ARG 2 4.262 3.389 -5.341 19 HH11 ARG 2 HH12 ARG 2 5.557 3.803 -2.073 20 HH12 ARG 2 HH11 ARG 2 4.030 3.908 -1.320 21 HH21 ARG 2 HH22 ARG 2 2.352 4.021 -4.434 22 HH22 ARG 2 HH21 ARG 2 2.294 4.355 -2.715 23 H ARG 3 H ARG 3 7.747 -0.326 -2.029 24 HA ARG 3 HA ARG 3 5.104 -1.490 -2.477 25 HB2 ARG 3 HB1 ARG 3 7.307 -3.107 -2.938 26 HB3 ARG 3 HB2 ARG 3 6.992 -3.510 -1.242 27 HG2 ARG 3 HG1 ARG 3 4.636 -3.983 -1.842 28 HG3 ARG 3 HG2 ARG 3 4.895 -3.363 -3.480 29 HD2 ARG 3 HD1 ARG 3 4.541 -5.861 -3.098 30 HD3 ARG 3 HD2 ARG 3 5.545 -5.184 -4.366 31 HE ARG 3 HE ARG 3 7.274 -6.369 -3.596 32 HH11 ARG 3 HH12 ARG 3 5.266 -6.239 -0.765 33 HH12 ARG 3 HH11 ARG 3 6.587 -6.601 0.304 34 HH21 ARG 3 HH22 ARG 3 8.916 -6.777 -2.230 35 HH22 ARG 3 HH21 ARG 3 8.666 -6.806 -0.511 36 H PHE 4 H PHE 4 5.807 -2.816 0.369 37 HA PHE 4 HA PHE 4 3.453 -1.818 1.009 38 HB2 PHE 4 HB1 PHE 4 5.458 -3.328 2.588 39 HB3 PHE 4 HB2 PHE 4 3.940 -2.941 3.329 40 HD1 PHE 4 HD2 PHE 4 3.231 -3.478 -0.179 41 HD2 PHE 4 HD1 PHE 4 4.044 -5.477 3.556 42 HE1 PHE 4 HE2 PHE 4 2.353 -5.579 -1.115 43 HE2 PHE 4 HE1 PHE 4 3.034 -7.550 2.641 44 HZ PHE 4 HZ PHE 4 2.248 -7.622 0.285 45 H ASP 5 H ASP 5 4.586 0.993 1.079 46 HA ASP 5 HA ASP 5 1.933 0.981 2.513 47 HB2 ASP 5 HB1 ASP 5 1.838 3.360 2.524 48 HB3 ASP 5 HB2 ASP 5 3.212 2.759 3.399 49 H LEU 6 H LEU 6 2.423 -0.259 -0.179 50 HA LEU 6 HA LEU 6 0.485 1.420 -1.710 51 HB2 LEU 6 HB1 LEU 6 1.428 0.923 -3.602 52 HB3 LEU 6 HB2 LEU 6 2.813 0.683 -2.546 53 HG LEU 6 HG LEU 6 3.003 -1.003 -4.043 54 HD11 LEU 6 HD21 LEU 6 1.326 -2.590 -2.074 55 HD12 LEU 6 HD22 LEU 6 2.769 -3.052 -2.988 56 HD13 LEU 6 HD23 LEU 6 2.918 -1.870 -1.642 57 HD21 LEU 6 HD11 LEU 6 1.377 -2.368 -5.074 58 HD22 LEU 6 HD12 LEU 6 0.095 -1.908 -3.918 59 HD23 LEU 6 HD13 LEU 6 0.707 -0.714 -5.102 60 H LEU 7 H LEU 7 0.252 -1.297 0.166 61 HA LEU 7 HA LEU 7 -2.453 -1.867 -1.004 62 HB2 LEU 7 HB1 LEU 7 -2.447 -3.959 0.246 63 HB3 LEU 7 HB2 LEU 7 -1.347 -3.866 -1.106 64 HG LEU 7 HG LEU 7 0.444 -4.356 0.071 65 HD11 LEU 7 HD21 LEU 7 1.020 -3.711 2.404 66 HD12 LEU 7 HD22 LEU 7 -0.500 -2.803 2.504 67 HD13 LEU 7 HD23 LEU 7 0.804 -2.306 1.392 68 HD21 LEU 7 HD11 LEU 7 -1.579 -4.997 2.263 69 HD22 LEU 7 HD12 LEU 7 -1.285 -5.999 0.822 70 HD23 LEU 7 HD13 LEU 7 0.005 -5.786 2.022 71 H LYS 8 H LYS 8 -0.926 -0.378 1.650 72 HA LYS 8 HA LYS 8 -3.618 0.024 2.879 73 HB2 LYS 8 HB1 LYS 8 -1.104 1.468 3.665 74 HB3 LYS 8 HB2 LYS 8 -2.616 1.363 4.522 75 HG2 LYS 8 HG1 LYS 8 -0.236 -0.309 4.634 76 HG3 LYS 8 HG2 LYS 8 -1.409 0.008 5.864 77 HD2 LYS 8 HD1 LYS 8 -2.369 -2.014 3.918 78 HD3 LYS 8 HD2 LYS 8 -0.789 -2.382 4.607 79 HE2 LYS 8 HE1 LYS 8 -1.708 -2.229 6.894 80 HE3 LYS 8 HE2 LYS 8 -3.317 -1.951 6.220 81 HZ1 LYS 8 HZ1 LYS 8 -3.041 -4.281 6.714 82 HZ2 LYS 8 HZ2 LYS 8 -1.654 -4.392 5.858 83 HZ3 LYS 8 HZ3 LYS 8 -3.087 -4.145 5.084 84 H ARG 9 H ARG 9 -2.105 0.900 0.078 85 HA ARG 9 HA ARG 9 -3.893 3.279 -0.232 86 HB2 ARG 9 HB1 ARG 9 -2.137 1.943 -2.332 87 HB3 ARG 9 HB2 ARG 9 -3.159 3.328 -2.610 88 HG2 ARG 9 HG1 ARG 9 -1.008 3.351 -0.501 89 HG3 ARG 9 HG2 ARG 9 -0.607 3.696 -2.181 90 HD2 ARG 9 HD1 ARG 9 -1.796 5.715 -2.166 91 HD3 ARG 9 HD2 ARG 9 -2.791 5.257 -0.778 92 HE ARG 9 HE ARG 9 -0.137 6.478 -0.714 93 HH11 ARG 9 HH12 ARG 9 -2.399 4.611 1.245 94 HH12 ARG 9 HH11 ARG 9 -1.615 5.082 2.714 95 HH21 ARG 9 HH22 ARG 9 0.889 6.898 1.235 96 HH22 ARG 9 HH21 ARG 9 0.264 6.221 2.688 97 H ILE 10 H ILE 10 -3.564 -0.036 -1.658 98 HA ILE 10 HA ILE 10 -6.083 -0.100 -2.782 99 HB ILE 10 HB ILE 10 -4.588 -2.452 -1.584 100 HG12 ILE 10 HG13 ILE 10 -4.716 -1.679 -4.539 101 HG13 ILE 10 HG12 ILE 10 -3.524 -0.940 -3.488 102 HG21 ILE 10 HG21 ILE 10 -5.874 -3.851 -3.188 103 HG22 ILE 10 HG22 ILE 10 -6.825 -2.433 -3.673 104 HG23 ILE 10 HG23 ILE 10 -6.953 -3.079 -2.023 105 HD11 ILE 10 HD11 ILE 10 -2.377 -2.722 -4.466 106 HD12 ILE 10 HD12 ILE 10 -2.784 -3.330 -2.851 107 HD13 ILE 10 HD13 ILE 10 -3.728 -3.854 -4.265 108 H LEU 11 H LEU 11 -5.498 -1.005 0.691 109 HA LEU 11 HA LEU 11 -8.298 -1.576 1.085 110 HB2 LEU 11 HB1 LEU 11 -7.649 -2.551 2.928 111 HB3 LEU 11 HB2 LEU 11 -6.036 -2.279 2.383 112 HG LEU 11 HG LEU 11 -6.613 0.066 3.875 113 HD11 LEU 11 HD21 LEU 11 -8.696 -1.042 4.740 114 HD12 LEU 11 HD22 LEU 11 -7.510 -0.782 6.024 115 HD13 LEU 11 HD23 LEU 11 -7.727 -2.401 5.318 116 HD21 LEU 11 HD11 LEU 11 -5.437 -2.127 5.484 117 HD22 LEU 11 HD12 LEU 11 -4.846 -0.499 5.111 118 HD23 LEU 11 HD13 LEU 11 -4.624 -1.813 3.934 119 H LYS 12 H LYS 12 -7.059 1.438 0.563 120 HA LYS 12 HA LYS 12 -7.639 3.580 1.121 121 HB2 LYS 12 HB1 LYS 12 -10.342 2.795 2.173 122 HB3 LYS 12 HB2 LYS 12 -9.900 4.168 1.190 123 HG2 LYS 12 HG1 LYS 12 -10.087 1.319 0.056 124 HG3 LYS 12 HG2 LYS 12 -11.462 2.394 0.234 125 HD2 LYS 12 HD1 LYS 12 -10.313 4.060 -1.287 126 HD3 LYS 12 HD2 LYS 12 -9.041 2.852 -1.554 127 HE2 LYS 12 HE1 LYS 12 -10.684 2.821 -3.385 128 HE3 LYS 12 HE2 LYS 12 -10.656 1.283 -2.524 129 HZ1 LYS 12 HZ1 LYS 12 -12.926 2.002 -2.960 130 HZ2 LYS 12 HZ2 LYS 12 -12.664 1.992 -1.341 131 HZ3 LYS 12 HZ3 LYS 12 -12.697 3.415 -2.159 Start of MODEL 17 1 H1 VAL 1 H VAL 1 11.366 -1.430 -5.768 2 HA VAL 1 HA VAL 1 11.108 -3.229 -3.733 3 HB VAL 1 HB VAL 1 11.566 -1.618 -1.641 4 HG11 VAL 1 HG21 VAL 1 12.408 -3.857 -1.810 5 HG12 VAL 1 HG22 VAL 1 13.726 -2.787 -1.312 6 HG13 VAL 1 HG23 VAL 1 13.643 -3.359 -2.994 7 HG21 VAL 1 HG11 VAL 1 13.679 -0.427 -1.767 8 HG22 VAL 1 HG12 VAL 1 12.536 0.277 -2.925 9 HG23 VAL 1 HG13 VAL 1 13.841 -0.799 -3.487 10 H ARG 2 H ARG 2 10.435 -0.020 -4.795 11 HA ARG 2 HA ARG 2 8.730 1.285 -3.315 12 HB2 ARG 2 HB1 ARG 2 9.447 2.040 -5.401 13 HB3 ARG 2 HB2 ARG 2 8.662 0.738 -6.274 14 HG2 ARG 2 HG1 ARG 2 7.716 3.010 -6.604 15 HG3 ARG 2 HG2 ARG 2 6.575 1.740 -6.222 16 HD2 ARG 2 HD1 ARG 2 6.620 2.613 -3.797 17 HD3 ARG 2 HD2 ARG 2 7.504 4.012 -4.428 18 HE ARG 2 HE ARG 2 5.601 4.402 -5.975 19 HH11 ARG 2 HH11 ARG 2 4.871 2.804 -2.953 20 HH12 ARG 2 HH12 ARG 2 3.180 3.053 -3.126 21 HH21 ARG 2 HH21 ARG 2 3.436 4.374 -6.300 22 HH22 ARG 2 HH22 ARG 2 2.376 3.630 -5.141 23 H ARG 3 H ARG 3 7.916 -0.312 -1.953 24 HA ARG 3 HA ARG 3 5.046 -0.865 -2.180 25 HB2 ARG 3 HB1 ARG 3 6.093 -2.772 -3.198 26 HB3 ARG 3 HB2 ARG 3 7.203 -2.985 -1.854 27 HG2 ARG 3 HG1 ARG 3 5.545 -3.839 -0.431 28 HG3 ARG 3 HG2 ARG 3 4.230 -3.563 -1.568 29 HD2 ARG 3 HD1 ARG 3 6.396 -5.143 -2.834 30 HD3 ARG 3 HD2 ARG 3 5.967 -5.814 -1.274 31 HE ARG 3 HE ARG 3 4.260 -6.849 -2.213 32 HH11 ARG 3 HH11 ARG 3 4.522 -4.059 -4.276 33 HH12 ARG 3 HH12 ARG 3 3.141 -4.531 -5.234 34 HH21 ARG 3 HH21 ARG 3 2.733 -7.520 -3.615 35 HH22 ARG 3 HH22 ARG 3 2.148 -6.450 -4.842 36 H PHE 4 H PHE 4 6.395 -2.418 0.551 37 HA PHE 4 HA PHE 4 4.134 -1.305 1.162 38 HB2 PHE 4 HB1 PHE 4 5.801 -3.210 2.634 39 HB3 PHE 4 HB2 PHE 4 4.377 -2.671 3.472 40 HD1 PHE 4 HD2 PHE 4 2.452 -2.318 1.120 41 HD2 PHE 4 HD1 PHE 4 5.136 -5.500 2.224 42 HE1 PHE 4 HE2 PHE 4 1.287 -3.824 -0.428 43 HE2 PHE 4 HE1 PHE 4 3.790 -7.068 0.841 44 HZ PHE 4 HZ PHE 4 1.911 -6.217 -0.554 45 H ASP 5 H ASP 5 4.710 1.424 1.454 46 HA ASP 5 HA ASP 5 2.405 0.825 3.143 47 HB2 ASP 5 HB1 ASP 5 2.057 3.268 3.241 48 HB3 ASP 5 HB2 ASP 5 3.617 2.674 3.853 49 H LEU 6 H LEU 6 2.642 0.026 0.148 50 HA LEU 6 HA LEU 6 0.071 1.278 -0.621 51 HB2 LEU 6 HB1 LEU 6 0.628 1.384 -2.711 52 HB3 LEU 6 HB2 LEU 6 2.190 1.471 -1.939 53 HG LEU 6 HG LEU 6 2.761 0.229 -3.645 54 HD11 LEU 6 HD21 LEU 6 1.646 -2.270 -2.403 55 HD12 LEU 6 HD22 LEU 6 3.193 -1.952 -3.175 56 HD13 LEU 6 HD23 LEU 6 2.894 -1.316 -1.541 57 HD21 LEU 6 HD11 LEU 6 1.459 -1.214 -5.049 58 HD22 LEU 6 HD12 LEU 6 0.596 0.304 -4.793 59 HD23 LEU 6 HD13 LEU 6 0.087 -1.154 -3.910 60 H LEU 7 H LEU 7 0.357 -1.548 0.910 61 HA LEU 7 HA LEU 7 -2.134 -2.435 -0.442 62 HB2 LEU 7 HB1 LEU 7 -2.344 -4.284 0.668 63 HB3 LEU 7 HB2 LEU 7 -0.649 -4.188 0.313 64 HG LEU 7 HG LEU 7 -2.147 -4.244 2.937 65 HD11 LEU 7 HD21 LEU 7 -0.582 -6.058 3.332 66 HD12 LEU 7 HD22 LEU 7 0.395 -5.566 1.931 67 HD13 LEU 7 HD23 LEU 7 -1.241 -6.244 1.706 68 HD21 LEU 7 HD11 LEU 7 -0.837 -2.689 3.891 69 HD22 LEU 7 HD12 LEU 7 0.411 -3.934 3.846 70 HD23 LEU 7 HD13 LEU 7 0.389 -2.705 2.570 71 H LYS 8 H LYS 8 -1.182 -0.799 2.673 72 HA LYS 8 HA LYS 8 -3.845 0.158 3.041 73 HB2 LYS 8 HB1 LYS 8 -2.856 2.003 4.337 74 HB3 LYS 8 HB2 LYS 8 -2.625 0.381 4.910 75 HG2 LYS 8 HG1 LYS 8 -0.424 1.922 3.535 76 HG3 LYS 8 HG2 LYS 8 -0.779 2.066 5.218 77 HD2 LYS 8 HD1 LYS 8 -0.450 -0.563 5.277 78 HD3 LYS 8 HD2 LYS 8 0.499 -0.247 3.800 79 HE2 LYS 8 HE1 LYS 8 1.709 1.583 5.177 80 HE3 LYS 8 HE2 LYS 8 0.861 0.959 6.585 81 HZ1 LYS 8 HZ1 LYS 8 2.011 -1.237 6.085 82 HZ2 LYS 8 HZ2 LYS 8 2.970 -0.413 5.012 83 HZ3 LYS 8 HZ3 LYS 8 2.973 -0.012 6.574 84 H ARG 9 H ARG 9 -2.225 0.586 0.277 85 HA ARG 9 HA ARG 9 -4.050 2.812 -0.533 86 HB2 ARG 9 HB1 ARG 9 -1.593 3.087 -1.004 87 HB3 ARG 9 HB2 ARG 9 -1.706 1.689 -2.059 88 HG2 ARG 9 HG1 ARG 9 -1.789 3.287 -3.597 89 HG3 ARG 9 HG2 ARG 9 -3.522 3.099 -3.346 90 HD2 ARG 9 HD1 ARG 9 -3.616 5.145 -2.054 91 HD3 ARG 9 HD2 ARG 9 -1.861 5.233 -1.920 92 HE ARG 9 HE ARG 9 -3.506 5.789 -4.342 93 HH11 ARG 9 HH11 ARG 9 -0.391 6.130 -2.812 94 HH12 ARG 9 HH12 ARG 9 0.275 7.018 -4.144 95 HH21 ARG 9 HH21 ARG 9 -2.553 6.871 -6.063 96 HH22 ARG 9 HH22 ARG 9 -0.895 7.356 -5.965 97 H ILE 10 H ILE 10 -3.389 -0.692 -1.395 98 HA ILE 10 HA ILE 10 -5.677 -0.760 -3.242 99 HB ILE 10 HB ILE 10 -5.598 -3.019 -3.377 100 HG12 ILE 10 HG13 ILE 10 -4.314 -3.240 -0.687 101 HG13 ILE 10 HG12 ILE 10 -5.823 -3.923 -1.282 102 HG21 ILE 10 HG21 ILE 10 -3.578 -1.835 -4.309 103 HG22 ILE 10 HG22 ILE 10 -2.660 -2.516 -2.933 104 HG23 ILE 10 HG23 ILE 10 -3.476 -3.583 -4.100 105 HD11 ILE 10 HD11 ILE 10 -4.592 -5.473 -2.739 106 HD12 ILE 10 HD12 ILE 10 -3.044 -4.865 -2.092 107 HD13 ILE 10 HD13 ILE 10 -4.189 -5.688 -1.025 108 H LEU 11 H LEU 11 -5.342 -0.944 0.231 109 HA LEU 11 HA LEU 11 -8.068 -1.826 0.756 110 HB2 LEU 11 HB1 LEU 11 -5.992 -2.123 2.191 111 HB3 LEU 11 HB2 LEU 11 -6.080 -0.425 2.607 112 HG LEU 11 HG LEU 11 -6.891 -1.824 4.379 113 HD11 LEU 11 HD21 LEU 11 -7.952 0.388 4.066 114 HD12 LEU 11 HD22 LEU 11 -9.019 -0.796 4.857 115 HD13 LEU 11 HD23 LEU 11 -9.273 -0.412 3.167 116 HD21 LEU 11 HD11 LEU 11 -8.765 -3.276 4.306 117 HD22 LEU 11 HD12 LEU 11 -7.700 -3.757 2.981 118 HD23 LEU 11 HD13 LEU 11 -9.176 -2.816 2.644 119 H LYS 12 H LYS 12 -6.432 1.227 0.293 120 HA LYS 12 HA LYS 12 -7.081 3.342 -0.088 121 HB2 LYS 12 HB1 LYS 12 -8.456 3.689 -1.851 122 HB3 LYS 12 HB2 LYS 12 -8.093 2.003 -2.086 123 HG2 LYS 12 HG1 LYS 12 -10.578 2.466 -0.510 124 HG3 LYS 12 HG2 LYS 12 -10.615 3.219 -2.087 125 HD2 LYS 12 HD1 LYS 12 -9.796 0.312 -1.791 126 HD3 LYS 12 HD2 LYS 12 -11.486 0.742 -1.702 127 HE2 LYS 12 HE1 LYS 12 -9.634 1.292 -4.075 128 HE3 LYS 12 HE2 LYS 12 -10.757 -0.061 -3.926 129 HZ1 LYS 12 HZ1 LYS 12 -11.774 1.612 -5.241 130 HZ2 LYS 12 HZ2 LYS 12 -12.578 1.559 -3.818 131 HZ3 LYS 12 HZ3 LYS 12 -11.531 2.795 -4.126 Start of MODEL 18 1 H1 VAL 1 H VAL 1 12.904 -1.596 -1.371 2 HA VAL 1 HA VAL 1 11.734 0.381 -2.875 3 HB VAL 1 HB VAL 1 13.670 -0.849 -3.547 4 HG11 VAL 1 HG21 VAL 1 12.927 -3.191 -3.109 5 HG12 VAL 1 HG22 VAL 1 13.648 -2.942 -4.704 6 HG13 VAL 1 HG23 VAL 1 11.891 -3.099 -4.553 7 HG21 VAL 1 HG11 VAL 1 13.265 -0.802 -5.941 8 HG22 VAL 1 HG12 VAL 1 12.451 0.561 -5.153 9 HG23 VAL 1 HG13 VAL 1 11.516 -0.859 -5.689 10 H ARG 2 H ARG 2 9.693 0.356 -1.775 11 HA ARG 2 HA ARG 2 7.530 0.829 -2.240 12 HB2 ARG 2 HB1 ARG 2 8.796 1.361 -4.395 13 HB3 ARG 2 HB2 ARG 2 8.062 -0.079 -5.066 14 HG2 ARG 2 HG1 ARG 2 6.295 1.119 -5.647 15 HG3 ARG 2 HG2 ARG 2 5.862 1.320 -3.955 16 HD2 ARG 2 HD1 ARG 2 6.611 3.456 -3.812 17 HD3 ARG 2 HD2 ARG 2 7.945 3.226 -4.936 18 HE ARG 2 HE ARG 2 5.296 4.160 -5.580 19 HH11 ARG 2 HH11 ARG 2 7.954 2.345 -6.958 20 HH12 ARG 2 HH12 ARG 2 7.586 2.817 -8.589 21 HH21 ARG 2 HH21 ARG 2 4.904 4.789 -7.715 22 HH22 ARG 2 HH22 ARG 2 5.894 4.158 -8.994 23 H ARG 3 H ARG 3 7.629 -1.539 -0.994 24 HA ARG 3 HA ARG 3 4.815 -1.249 -1.068 25 HB2 ARG 3 HB2 ARG 3 3.913 -3.323 -1.152 26 HB3 ARG 3 HB1 ARG 3 5.029 -3.421 -2.456 27 HG2 ARG 3 HG1 ARG 3 5.685 -4.592 0.274 28 HG3 ARG 3 HG2 ARG 3 4.594 -5.397 -0.822 29 HD2 ARG 3 HD1 ARG 3 6.433 -5.497 -2.517 30 HD3 ARG 3 HD2 ARG 3 7.543 -4.855 -1.299 31 HE ARG 3 HE ARG 3 6.447 -7.552 -1.500 32 HH11 ARG 3 HH11 ARG 3 7.785 -5.350 0.878 33 HH12 ARG 3 HH12 ARG 3 8.118 -6.635 2.007 34 HH21 ARG 3 HH21 ARG 3 6.911 -9.143 0.002 35 HH22 ARG 3 HH22 ARG 3 7.607 -8.709 1.526 36 H PHE 4 H PHE 4 5.931 -0.839 2.185 37 HA PHE 4 HA PHE 4 3.291 -1.537 1.162 38 HB2 PHE 4 HB1 PHE 4 4.798 -2.180 3.607 39 HB3 PHE 4 HB2 PHE 4 3.177 -1.681 3.957 40 HD1 PHE 4 HD2 PHE 4 5.200 -4.292 2.390 41 HD2 PHE 4 HD1 PHE 4 1.229 -2.903 3.284 42 HE1 PHE 4 HE2 PHE 4 4.269 -6.520 1.757 43 HE2 PHE 4 HE1 PHE 4 0.304 -5.125 2.675 44 HZ PHE 4 HZ PHE 4 1.822 -6.928 1.895 45 H ASP 5 H ASP 5 3.516 1.076 0.431 46 HA ASP 5 HA ASP 5 1.192 1.830 2.136 47 HB2 ASP 5 HB1 ASP 5 1.571 4.109 1.532 48 HB3 ASP 5 HB2 ASP 5 2.978 3.393 2.335 49 H LEU 6 H LEU 6 2.312 2.046 -1.265 50 HA LEU 6 HA LEU 6 -0.166 2.122 -2.513 51 HB2 LEU 6 HB1 LEU 6 0.762 0.900 -4.462 52 HB3 LEU 6 HB2 LEU 6 1.674 2.279 -3.938 53 HG LEU 6 HG LEU 6 3.483 0.917 -3.157 54 HD11 LEU 6 HD21 LEU 6 3.356 -1.624 -3.445 55 HD12 LEU 6 HD22 LEU 6 2.477 -0.925 -2.082 56 HD13 LEU 6 HD23 LEU 6 1.603 -1.437 -3.561 57 HD21 LEU 6 HD11 LEU 6 2.463 -0.331 -5.755 58 HD22 LEU 6 HD12 LEU 6 4.133 -0.256 -5.200 59 HD23 LEU 6 HD13 LEU 6 3.298 1.236 -5.645 60 H LEU 7 H LEU 7 -0.171 -0.042 -0.276 61 HA LEU 7 HA LEU 7 -2.362 -1.399 -1.577 62 HB2 LEU 7 HB1 LEU 7 -1.341 -3.306 0.330 63 HB3 LEU 7 HB2 LEU 7 -1.885 -3.468 -1.340 64 HG LEU 7 HG LEU 7 0.439 -2.785 -2.111 65 HD11 LEU 7 HD21 LEU 7 0.777 -2.736 0.886 66 HD12 LEU 7 HD22 LEU 7 1.507 -1.659 -0.301 67 HD13 LEU 7 HD23 LEU 7 2.131 -3.297 -0.086 68 HD21 LEU 7 HD11 LEU 7 -0.300 -5.156 -1.911 69 HD22 LEU 7 HD12 LEU 7 1.433 -4.936 -1.647 70 HD23 LEU 7 HD13 LEU 7 0.352 -5.191 -0.256 71 H LYS 8 H LYS 8 -1.160 0.032 1.379 72 HA LYS 8 HA LYS 8 -3.870 0.133 2.548 73 HB2 LYS 8 HB1 LYS 8 -1.481 1.990 2.969 74 HB3 LYS 8 HB2 LYS 8 -3.027 2.067 3.806 75 HG2 LYS 8 HG1 LYS 8 -1.984 0.915 5.401 76 HG3 LYS 8 HG2 LYS 8 -2.481 -0.459 4.440 77 HD2 LYS 8 HD1 LYS 8 -0.348 -1.115 4.514 78 HD3 LYS 8 HD2 LYS 8 0.034 0.142 3.350 79 HE2 LYS 8 HE1 LYS 8 -0.009 0.603 6.382 80 HE3 LYS 8 HE2 LYS 8 1.419 -0.009 5.539 81 HZ1 LYS 8 HZ1 LYS 8 0.158 2.590 4.907 82 HZ2 LYS 8 HZ2 LYS 8 1.548 1.936 4.250 83 HZ3 LYS 8 HZ3 LYS 8 1.513 2.381 5.817 84 H ARG 9 H ARG 9 -2.606 1.192 -0.311 85 HA ARG 9 HA ARG 9 -4.670 3.322 -0.677 86 HB2 ARG 9 HB1 ARG 9 -2.201 3.540 -1.410 87 HB3 ARG 9 HB2 ARG 9 -2.604 2.390 -2.691 88 HG2 ARG 9 HG1 ARG 9 -4.308 3.915 -3.592 89 HG3 ARG 9 HG2 ARG 9 -4.065 5.040 -2.240 90 HD2 ARG 9 HD1 ARG 9 -1.724 5.379 -2.932 91 HD3 ARG 9 HD2 ARG 9 -1.952 4.248 -4.287 92 HE ARG 9 HE ARG 9 -3.891 5.956 -4.877 93 HH11 ARG 9 HH11 ARG 9 -0.611 6.837 -3.922 94 HH12 ARG 9 HH12 ARG 9 -0.692 8.335 -4.798 95 HH21 ARG 9 HH21 ARG 9 -3.889 7.867 -5.963 96 HH22 ARG 9 HH22 ARG 9 -2.495 8.891 -5.930 97 H ILE 10 H ILE 10 -4.254 -0.039 -1.234 98 HA ILE 10 HA ILE 10 -6.394 -0.140 -3.294 99 HB ILE 10 HB ILE 10 -4.681 -2.348 -2.082 100 HG12 ILE 10 HG13 ILE 10 -3.346 -0.836 -3.477 101 HG13 ILE 10 HG12 ILE 10 -3.511 -2.407 -4.230 102 HG21 ILE 10 HG21 ILE 10 -5.582 -3.717 -3.981 103 HG22 ILE 10 HG22 ILE 10 -6.815 -3.272 -2.798 104 HG23 ILE 10 HG23 ILE 10 -6.727 -2.409 -4.340 105 HD11 ILE 10 HD11 ILE 10 -3.676 -0.565 -5.860 106 HD12 ILE 10 HD12 ILE 10 -5.058 0.118 -4.996 107 HD13 ILE 10 HD13 ILE 10 -5.199 -1.468 -5.797 108 H LEU 11 H LEU 11 -5.724 -1.293 0.029 109 HA LEU 11 HA LEU 11 -8.362 -2.141 0.520 110 HB2 LEU 11 HB1 LEU 11 -7.354 -3.087 2.208 111 HB3 LEU 11 HB2 LEU 11 -5.893 -2.287 1.759 112 HG LEU 11 HG LEU 11 -7.024 -0.347 3.377 113 HD11 LEU 11 HD21 LEU 11 -8.924 -1.950 3.945 114 HD12 LEU 11 HD22 LEU 11 -7.733 -3.055 4.620 115 HD13 LEU 11 HD23 LEU 11 -7.976 -1.446 5.343 116 HD21 LEU 11 HD11 LEU 11 -5.628 -2.086 5.153 117 HD22 LEU 11 HD12 LEU 11 -4.806 -2.159 3.597 118 HD23 LEU 11 HD13 LEU 11 -5.096 -0.592 4.389 119 H LYS 12 H LYS 12 -8.283 0.739 -0.467 120 HA LYS 12 HA LYS 12 -9.684 2.203 1.699 121 HB2 LYS 12 HB1 LYS 12 -9.400 2.841 -1.278 122 HB3 LYS 12 HB2 LYS 12 -10.213 3.855 -0.085 123 HG2 LYS 12 HG1 LYS 12 -7.257 3.248 -0.306 124 HG3 LYS 12 HG2 LYS 12 -8.092 4.797 -0.448 125 HD2 LYS 12 HD1 LYS 12 -8.783 4.247 2.101 126 HD3 LYS 12 HD2 LYS 12 -7.344 3.219 2.018 127 HE2 LYS 12 HE1 LYS 12 -7.588 6.227 1.654 128 HE3 LYS 12 HE2 LYS 12 -6.673 5.344 2.890 129 HZ1 LYS 12 HZ1 LYS 12 -5.232 6.187 1.125 130 HZ2 LYS 12 HZ2 LYS 12 -5.223 4.519 1.161 131 HZ3 LYS 12 HZ3 LYS 12 -6.088 5.333 0.003 Start of MODEL 19 1 H1 VAL 1 H VAL 1 12.537 -1.638 -2.020 2 HA VAL 1 HA VAL 1 10.702 -0.269 -0.926 3 HB VAL 1 HB VAL 1 12.841 0.504 -1.193 4 HG11 VAL 1 HG21 VAL 1 13.942 1.335 -3.185 5 HG12 VAL 1 HG22 VAL 1 12.482 0.998 -4.171 6 HG13 VAL 1 HG23 VAL 1 13.432 -0.323 -3.451 7 HG21 VAL 1 HG11 VAL 1 12.769 2.830 -1.692 8 HG22 VAL 1 HG12 VAL 1 11.254 2.370 -0.886 9 HG23 VAL 1 HG13 VAL 1 11.282 2.657 -2.654 10 H ARG 2 H ARG 2 9.687 -1.735 -3.549 11 HA ARG 2 HA ARG 2 7.245 -0.034 -3.279 12 HB2 ARG 2 HB1 ARG 2 8.585 -0.437 -5.792 13 HB3 ARG 2 HB2 ARG 2 6.992 -1.148 -5.911 14 HG2 ARG 2 HG1 ARG 2 7.536 1.653 -4.819 15 HG3 ARG 2 HG2 ARG 2 7.118 1.323 -6.501 16 HD2 ARG 2 HD1 ARG 2 4.907 0.857 -6.049 17 HD3 ARG 2 HD2 ARG 2 5.230 0.219 -4.443 18 HE ARG 2 HE ARG 2 5.660 2.619 -3.716 19 HH11 ARG 2 HH12 ARG 2 3.404 2.109 -6.323 20 HH12 ARG 2 HH11 ARG 2 2.345 3.364 -5.752 21 HH21 ARG 2 HH22 ARG 2 4.134 4.000 -2.890 22 HH22 ARG 2 HH21 ARG 2 2.737 4.375 -3.816 23 H ARG 3 H ARG 3 7.852 -2.500 -1.763 24 HA ARG 3 HA ARG 3 5.019 -2.237 -1.634 25 HB2 ARG 3 HB1 ARG 3 4.083 -4.305 -1.779 26 HB3 ARG 3 HB2 ARG 3 5.158 -4.257 -3.092 27 HG2 ARG 3 HG1 ARG 3 5.680 -5.926 -0.620 28 HG3 ARG 3 HG2 ARG 3 4.900 -6.452 -2.085 29 HD2 ARG 3 HD1 ARG 3 7.603 -5.189 -2.447 30 HD3 ARG 3 HD2 ARG 3 7.528 -6.738 -1.623 31 HE ARG 3 HE ARG 3 6.997 -7.841 -3.520 32 HH11 ARG 3 HH12 ARG 3 6.596 -4.460 -4.440 33 HH12 ARG 3 HH11 ARG 3 6.672 -4.861 -6.133 34 HH21 ARG 3 HH22 ARG 3 6.841 -8.243 -5.662 35 HH22 ARG 3 HH21 ARG 3 6.754 -6.935 -6.795 36 H PHE 4 H PHE 4 5.757 -0.910 0.450 37 HA PHE 4 HA PHE 4 3.412 -2.078 0.732 38 HB2 PHE 4 HB1 PHE 4 5.099 -3.274 2.786 39 HB3 PHE 4 HB2 PHE 4 3.616 -2.791 3.433 40 HD1 PHE 4 HD1 PHE 4 2.990 -3.848 -0.057 41 HD2 PHE 4 HD2 PHE 4 3.773 -5.310 3.923 42 HE1 PHE 4 HE1 PHE 4 2.085 -6.046 -0.669 43 HE2 PHE 4 HE2 PHE 4 2.676 -7.448 3.333 44 HZ PHE 4 HZ PHE 4 1.846 -7.835 1.025 45 H ASP 5 H ASP 5 4.219 1.033 1.067 46 HA ASP 5 HA ASP 5 1.719 1.542 2.494 47 HB2 ASP 5 HB1 ASP 5 2.009 3.866 1.676 48 HB3 ASP 5 HB2 ASP 5 3.476 3.215 2.346 49 H LEU 6 H LEU 6 2.428 0.311 -0.613 50 HA LEU 6 HA LEU 6 0.066 1.368 -1.908 51 HB2 LEU 6 HB1 LEU 6 0.875 1.070 -3.839 52 HB3 LEU 6 HB2 LEU 6 2.339 1.164 -2.896 53 HG LEU 6 HG LEU 6 2.781 -0.307 -4.595 54 HD11 LEU 6 HD21 LEU 6 3.258 -1.199 -2.210 55 HD12 LEU 6 HD22 LEU 6 2.013 -2.435 -2.620 56 HD13 LEU 6 HD23 LEU 6 3.430 -2.261 -3.637 57 HD21 LEU 6 HD11 LEU 6 1.339 -2.305 -5.170 58 HD22 LEU 6 HD12 LEU 6 0.720 -0.709 -5.614 59 HD23 LEU 6 HD13 LEU 6 0.060 -1.553 -4.189 60 H LEU 7 H LEU 7 0.361 -1.883 -0.377 61 HA LEU 7 HA LEU 7 -2.511 -2.020 -1.154 62 HB2 LEU 7 HB1 LEU 7 -1.781 -3.896 0.887 63 HB3 LEU 7 HB2 LEU 7 -2.769 -4.024 -0.560 64 HG LEU 7 HG LEU 7 0.266 -4.069 -0.657 65 HD11 LEU 7 HD21 LEU 7 -1.764 -6.343 -0.602 66 HD12 LEU 7 HD22 LEU 7 -0.002 -6.516 -0.678 67 HD13 LEU 7 HD23 LEU 7 -0.746 -5.835 0.768 68 HD21 LEU 7 HD11 LEU 7 -1.688 -5.161 -2.722 69 HD22 LEU 7 HD12 LEU 7 -1.107 -3.477 -2.805 70 HD23 LEU 7 HD13 LEU 7 0.035 -4.817 -2.919 71 H LYS 8 H LYS 8 -0.642 -0.584 1.381 72 HA LYS 8 HA LYS 8 -3.056 0.206 2.903 73 HB2 LYS 8 HB1 LYS 8 -0.172 1.045 3.137 74 HB3 LYS 8 HB2 LYS 8 -1.433 1.709 4.110 75 HG2 LYS 8 HG1 LYS 8 0.217 -0.327 4.849 76 HG3 LYS 8 HG2 LYS 8 -1.270 0.143 5.631 77 HD2 LYS 8 HD1 LYS 8 -2.457 -1.654 4.281 78 HD3 LYS 8 HD2 LYS 8 -0.845 -2.210 3.759 79 HE2 LYS 8 HE1 LYS 8 -0.220 -2.483 6.191 80 HE3 LYS 8 HE2 LYS 8 -1.846 -1.962 6.644 81 HZ1 LYS 8 HZ1 LYS 8 -1.826 -4.309 6.699 82 HZ2 LYS 8 HZ2 LYS 8 -2.673 -3.941 5.348 83 HZ3 LYS 8 HZ3 LYS 8 -1.113 -4.464 5.238 84 H ARG 9 H ARG 9 -2.338 0.874 -0.071 85 HA ARG 9 HA ARG 9 -3.802 3.487 -0.088 86 HB2 ARG 9 HB1 ARG 9 -1.624 3.763 -1.129 87 HB3 ARG 9 HB2 ARG 9 -1.853 2.306 -2.097 88 HG2 ARG 9 HG1 ARG 9 -3.610 3.403 -3.422 89 HG3 ARG 9 HG2 ARG 9 -3.413 4.889 -2.469 90 HD2 ARG 9 HD1 ARG 9 -1.169 5.230 -3.326 91 HD3 ARG 9 HD2 ARG 9 -1.108 3.593 -3.967 92 HE ARG 9 HE ARG 9 -2.391 4.166 -5.814 93 HH11 ARG 9 HH11 ARG 9 -2.180 7.055 -3.821 94 HH12 ARG 9 HH12 ARG 9 -2.615 8.088 -5.149 95 HH21 ARG 9 HH21 ARG 9 -2.986 5.559 -7.434 96 HH22 ARG 9 HH22 ARG 9 -3.051 7.259 -7.123 97 H ILE 10 H ILE 10 -3.786 0.132 -1.364 98 HA ILE 10 HA ILE 10 -6.226 0.476 -2.905 99 HB ILE 10 HB ILE 10 -4.880 -1.984 -1.764 100 HG12 ILE 10 HG12 ILE 10 -5.143 -1.302 -4.726 101 HG13 ILE 10 HG13 ILE 10 -3.850 -0.593 -3.760 102 HG21 ILE 10 HG21 ILE 10 -6.329 -3.399 -3.114 103 HG22 ILE 10 HG22 ILE 10 -7.177 -1.994 -3.789 104 HG23 ILE 10 HG23 ILE 10 -7.362 -2.420 -2.080 105 HD11 ILE 10 HD11 ILE 10 -2.859 -2.512 -4.684 106 HD12 ILE 10 HD12 ILE 10 -3.294 -3.017 -3.035 107 HD13 ILE 10 HD13 ILE 10 -4.301 -3.516 -4.405 108 H LEU 11 H LEU 11 -5.676 -0.758 0.460 109 HA LEU 11 HA LEU 11 -8.466 -1.236 0.875 110 HB2 LEU 11 HB1 LEU 11 -7.810 -2.285 2.728 111 HB3 LEU 11 HB2 LEU 11 -6.226 -2.113 2.039 112 HG LEU 11 HG LEU 11 -6.410 0.230 3.564 113 HD11 LEU 11 HD21 LEU 11 -8.558 -0.510 4.619 114 HD12 LEU 11 HD22 LEU 11 -7.240 -0.482 5.796 115 HD13 LEU 11 HD23 LEU 11 -7.792 -2.025 5.112 116 HD21 LEU 11 HD11 LEU 11 -4.554 -1.374 3.446 117 HD22 LEU 11 HD12 LEU 11 -5.448 -2.473 4.525 118 HD23 LEU 11 HD13 LEU 11 -4.935 -0.867 5.112 119 H LYS 12 H LYS 12 -6.769 1.713 1.132 120 HA LYS 12 HA LYS 12 -9.218 3.101 1.582 121 HB2 LYS 12 HB1 LYS 12 -9.044 4.152 3.535 122 HB3 LYS 12 HB2 LYS 12 -8.269 2.668 4.023 123 HG2 LYS 12 HG1 LYS 12 -6.833 5.256 3.250 124 HG3 LYS 12 HG2 LYS 12 -7.288 4.833 4.873 125 HD2 LYS 12 HD1 LYS 12 -5.659 3.184 5.115 126 HD3 LYS 12 HD2 LYS 12 -5.413 2.996 3.361 127 HE2 LYS 12 HE1 LYS 12 -4.197 4.942 3.128 128 HE3 LYS 12 HE2 LYS 12 -4.957 5.735 4.515 129 HZ1 LYS 12 HZ1 LYS 12 -2.650 5.202 4.931 130 HZ2 LYS 12 HZ2 LYS 12 -3.599 4.375 5.979 131 HZ3 LYS 12 HZ3 LYS 12 -2.910 3.608 4.670 Start of MODEL 20 1 H1 VAL 1 H VAL 1 11.691 -1.574 -4.550 2 HA VAL 1 HA VAL 1 11.151 0.979 -3.942 3 HB VAL 1 HB VAL 1 12.679 0.064 -5.650 4 HG11 VAL 1 HG21 VAL 1 12.051 -0.104 -7.964 5 HG12 VAL 1 HG22 VAL 1 11.059 -1.211 -7.011 6 HG13 VAL 1 HG23 VAL 1 10.354 0.316 -7.608 7 HG21 VAL 1 HG11 VAL 1 12.487 2.452 -5.301 8 HG22 VAL 1 HG12 VAL 1 11.188 2.547 -6.539 9 HG23 VAL 1 HG13 VAL 1 12.831 2.037 -6.988 10 H ARG 2 H ARG 2 9.099 -0.313 -3.254 11 HA ARG 2 HA ARG 2 6.804 0.351 -2.739 12 HB2 ARG 2 HB1 ARG 2 6.484 0.782 -5.719 13 HB3 ARG 2 HB2 ARG 2 5.184 0.588 -4.596 14 HG2 ARG 2 HG1 ARG 2 6.010 2.918 -5.495 15 HG3 ARG 2 HG2 ARG 2 5.112 2.699 -4.015 16 HD2 ARG 2 HD1 ARG 2 6.757 3.476 -2.698 17 HD3 ARG 2 HD2 ARG 2 8.025 2.637 -3.565 18 HE ARG 2 HE ARG 2 6.794 5.097 -4.716 19 HH11 ARG 2 HH12 ARG 2 9.684 3.478 -3.631 20 HH12 ARG 2 HH11 ARG 2 10.743 4.737 -4.208 21 HH21 ARG 2 HH22 ARG 2 8.215 6.657 -5.499 22 HH22 ARG 2 HH21 ARG 2 9.920 6.470 -5.235 23 H ARG 3 H ARG 3 7.526 -1.853 -2.095 24 HA ARG 3 HA ARG 3 4.838 -1.674 -2.147 25 HB2 ARG 3 HB1 ARG 3 3.839 -3.777 -2.384 26 HB3 ARG 3 HB2 ARG 3 4.754 -3.527 -3.801 27 HG2 ARG 3 HG1 ARG 3 5.408 -5.469 -1.542 28 HG3 ARG 3 HG2 ARG 3 4.667 -5.835 -3.080 29 HD2 ARG 3 HD1 ARG 3 7.493 -4.783 -2.753 30 HD3 ARG 3 HD2 ARG 3 7.027 -6.479 -2.943 31 HE ARG 3 HE ARG 3 6.351 -4.399 -5.007 32 HH11 ARG 3 HH12 ARG 3 7.921 -7.485 -4.350 33 HH12 ARG 3 HH11 ARG 3 8.052 -7.869 -6.039 34 HH21 ARG 3 HH22 ARG 3 6.494 -5.013 -7.132 35 HH22 ARG 3 HH21 ARG 3 7.262 -6.510 -7.560 36 H PHE 4 H PHE 4 5.355 -0.794 0.026 37 HA PHE 4 HA PHE 4 3.258 -2.129 0.530 38 HB2 PHE 4 HB1 PHE 4 5.176 -3.514 2.302 39 HB3 PHE 4 HB2 PHE 4 3.619 -3.234 2.964 40 HD1 PHE 4 HD1 PHE 4 2.992 -3.786 -0.542 41 HD2 PHE 4 HD2 PHE 4 3.883 -5.753 3.179 42 HE1 PHE 4 HE1 PHE 4 2.265 -5.930 -1.506 43 HE2 PHE 4 HE2 PHE 4 2.935 -7.855 2.268 44 HZ PHE 4 HZ PHE 4 2.161 -7.960 -0.091 45 H ASP 5 H ASP 5 3.986 0.771 0.830 46 HA ASP 5 HA ASP 5 1.355 0.701 2.328 47 HB2 ASP 5 HB1 ASP 5 1.533 2.900 2.900 48 HB3 ASP 5 HB2 ASP 5 3.177 2.346 3.218 49 H LEU 6 H LEU 6 1.736 -0.366 -0.239 50 HA LEU 6 HA LEU 6 -0.355 1.372 -1.523 51 HB2 LEU 6 HB1 LEU 6 -0.018 0.029 -3.624 52 HB3 LEU 6 HB2 LEU 6 0.908 1.477 -3.247 53 HG LEU 6 HG LEU 6 2.892 0.205 -2.723 54 HD11 LEU 6 HD21 LEU 6 2.386 -1.809 -1.715 55 HD12 LEU 6 HD22 LEU 6 2.580 -2.373 -3.411 56 HD13 LEU 6 HD23 LEU 6 0.968 -2.116 -2.747 57 HD21 LEU 6 HD11 LEU 6 2.441 0.703 -5.108 58 HD22 LEU 6 HD12 LEU 6 1.556 -0.840 -5.270 59 HD23 LEU 6 HD13 LEU 6 3.303 -0.841 -4.920 60 H LEU 7 H LEU 7 0.209 -2.043 -0.401 61 HA LEU 7 HA LEU 7 -2.730 -2.320 -0.786 62 HB2 LEU 7 HB1 LEU 7 -1.459 -4.220 1.019 63 HB3 LEU 7 HB2 LEU 7 -2.684 -4.409 -0.250 64 HG LEU 7 HG LEU 7 0.323 -4.186 -0.652 65 HD11 LEU 7 HD21 LEU 7 -1.644 -6.497 -0.966 66 HD12 LEU 7 HD22 LEU 7 -0.526 -6.255 0.398 67 HD13 LEU 7 HD23 LEU 7 0.110 -6.567 -1.221 68 HD21 LEU 7 HD11 LEU 7 -1.657 -4.994 -2.806 69 HD22 LEU 7 HD12 LEU 7 0.054 -4.577 -2.948 70 HD23 LEU 7 HD13 LEU 7 -1.139 -3.298 -2.639 71 H LYS 8 H LYS 8 -0.803 -0.817 1.616 72 HA LYS 8 HA LYS 8 -3.277 -0.292 3.196 73 HB2 LYS 8 HB1 LYS 8 -0.724 1.201 3.649 74 HB3 LYS 8 HB2 LYS 8 -2.088 0.956 4.715 75 HG2 LYS 8 HG1 LYS 8 0.229 -0.824 4.119 76 HG3 LYS 8 HG2 LYS 8 -0.375 -0.277 5.657 77 HD2 LYS 8 HD1 LYS 8 -1.330 -2.615 3.965 78 HD3 LYS 8 HD2 LYS 8 -0.487 -2.618 5.482 79 HE2 LYS 8 HE1 LYS 8 -2.483 -3.316 6.157 80 HE3 LYS 8 HE2 LYS 8 -2.615 -1.608 6.555 81 HZ1 LYS 8 HZ1 LYS 8 -4.535 -2.771 5.350 82 HZ2 LYS 8 HZ2 LYS 8 -4.089 -1.314 4.743 83 HZ3 LYS 8 HZ3 LYS 8 -3.627 -2.704 3.982 84 H ARG 9 H ARG 9 -2.623 0.355 0.230 85 HA ARG 9 HA ARG 9 -4.636 2.531 0.372 86 HB2 ARG 9 HB1 ARG 9 -2.570 2.309 -1.880 87 HB3 ARG 9 HB2 ARG 9 -3.872 3.492 -1.720 88 HG2 ARG 9 HG1 ARG 9 -2.910 4.218 0.479 89 HG3 ARG 9 HG2 ARG 9 -1.552 3.183 0.203 90 HD2 ARG 9 HD1 ARG 9 -0.474 4.664 -1.065 91 HD3 ARG 9 HD2 ARG 9 -1.913 5.000 -2.059 92 HE ARG 9 HE ARG 9 -1.557 6.096 0.715 93 HH11 ARG 9 HH11 ARG 9 -1.605 7.008 -2.636 94 HH12 ARG 9 HH12 ARG 9 -2.231 8.597 -2.303 95 HH21 ARG 9 HH21 ARG 9 -2.462 8.095 1.080 96 HH22 ARG 9 HH22 ARG 9 -2.718 9.193 -0.246 97 H ILE 10 H ILE 10 -4.459 -0.621 -0.034 98 HA ILE 10 HA ILE 10 -6.770 -0.573 -1.943 99 HB ILE 10 HB ILE 10 -5.042 -2.923 -1.166 100 HG12 ILE 10 HG13 ILE 10 -5.839 -1.665 -3.855 101 HG13 ILE 10 HG12 ILE 10 -4.340 -1.289 -3.002 102 HG21 ILE 10 HG21 ILE 10 -6.613 -4.266 -2.602 103 HG22 ILE 10 HG22 ILE 10 -7.378 -3.723 -1.114 104 HG23 ILE 10 HG23 ILE 10 -7.739 -2.896 -2.646 105 HD11 ILE 10 HD11 ILE 10 -3.812 -2.776 -4.747 106 HD12 ILE 10 HD12 ILE 10 -3.639 -3.685 -3.226 107 HD13 ILE 10 HD13 ILE 10 -5.060 -3.945 -4.276 108 H LEU 11 H LEU 11 -5.777 -1.630 1.330 109 HA LEU 11 HA LEU 11 -8.502 -0.717 2.286 110 HB2 LEU 11 HB1 LEU 11 -6.064 -1.907 3.581 111 HB3 LEU 11 HB2 LEU 11 -7.053 -0.822 4.540 112 HG LEU 11 HG LEU 11 -7.535 -3.249 4.833 113 HD11 LEU 11 HD21 LEU 11 -9.199 -1.592 5.513 114 HD12 LEU 11 HD22 LEU 11 -9.881 -1.548 3.872 115 HD13 LEU 11 HD23 LEU 11 -9.989 -3.025 4.845 116 HD21 LEU 11 HD11 LEU 11 -8.791 -4.480 3.180 117 HD22 LEU 11 HD12 LEU 11 -8.876 -3.069 2.116 118 HD23 LEU 11 HD13 LEU 11 -7.309 -3.871 2.413 119 H LYS 12 H LYS 12 -8.348 1.205 1.076 120 HA LYS 12 HA LYS 12 -6.512 3.396 1.451 121 HB2 LYS 12 HB1 LYS 12 -9.532 3.325 0.936 122 HB3 LYS 12 HB2 LYS 12 -8.579 4.800 0.979 123 HG2 LYS 12 HG1 LYS 12 -8.311 4.609 -1.197 124 HG3 LYS 12 HG2 LYS 12 -7.155 3.323 -0.881 125 HD2 LYS 12 HD1 LYS 12 -8.953 1.632 -1.168 126 HD3 LYS 12 HD2 LYS 12 -10.161 2.931 -1.297 127 HE2 LYS 12 HE1 LYS 12 -8.771 3.811 -3.281 128 HE3 LYS 12 HE2 LYS 12 -7.925 2.258 -3.248 129 HZ1 LYS 12 HZ1 LYS 12 -9.827 2.283 -4.796 130 HZ2 LYS 12 HZ2 LYS 12 -10.072 1.166 -3.613 131 HZ3 LYS 12 HZ3 LYS 12 -10.866 2.602 -3.570 Start of MODEL 21 1 H1 VAL 1 H VAL 1 11.702 -1.862 -6.122 2 HA VAL 1 HA VAL 1 11.006 -2.918 -3.755 3 HB VAL 1 HB VAL 1 12.886 -1.887 -2.719 4 HG11 VAL 1 HG21 VAL 1 12.945 0.336 -3.873 5 HG12 VAL 1 HG22 VAL 1 11.626 0.904 -2.823 6 HG13 VAL 1 HG23 VAL 1 13.139 0.382 -2.116 7 HG21 VAL 1 HG11 VAL 1 11.821 -1.988 -0.781 8 HG22 VAL 1 HG12 VAL 1 10.821 -0.560 -1.107 9 HG23 VAL 1 HG13 VAL 1 10.314 -2.168 -1.684 10 H ARG 2 H ARG 2 10.271 0.325 -3.306 11 HA ARG 2 HA ARG 2 8.270 1.299 -3.032 12 HB2 ARG 2 HB1 ARG 2 9.117 1.622 -5.505 13 HB3 ARG 2 HB2 ARG 2 7.707 0.679 -5.956 14 HG2 ARG 2 HG1 ARG 2 7.500 3.178 -6.065 15 HG3 ARG 2 HG2 ARG 2 6.231 2.405 -5.099 16 HD2 ARG 2 HD1 ARG 2 7.098 3.209 -3.067 17 HD3 ARG 2 HD2 ARG 2 8.731 3.393 -3.730 18 HE ARG 2 HE ARG 2 8.273 5.493 -4.468 19 HH11 ARG 2 HH12 ARG 2 5.256 4.197 -3.260 20 HH12 ARG 2 HH11 ARG 2 4.439 5.719 -3.446 21 HH21 ARG 2 HH22 ARG 2 7.180 7.386 -4.658 22 HH22 ARG 2 HH21 ARG 2 5.487 7.467 -4.291 23 H ARG 3 H ARG 3 8.195 -1.150 -2.074 24 HA ARG 3 HA ARG 3 5.285 -1.637 -2.339 25 HB2 ARG 3 HB1 ARG 3 7.377 -3.539 -2.498 26 HB3 ARG 3 HB2 ARG 3 6.547 -3.930 -1.015 27 HG2 ARG 3 HG1 ARG 3 4.564 -4.444 -2.119 28 HG3 ARG 3 HG2 ARG 3 4.862 -3.293 -3.425 29 HD2 ARG 3 HD1 ARG 3 4.627 -5.551 -4.143 30 HD3 ARG 3 HD2 ARG 3 5.953 -4.554 -4.768 31 HE ARG 3 HE ARG 3 7.358 -5.871 -2.986 32 HH11 ARG 3 HH12 ARG 3 5.110 -7.160 -5.359 33 HH12 ARG 3 HH11 ARG 3 5.870 -8.725 -5.330 34 HH21 ARG 3 HH22 ARG 3 8.239 -7.907 -3.012 35 HH22 ARG 3 HH21 ARG 3 7.570 -9.120 -4.068 36 H PHE 4 H PHE 4 5.728 -3.028 0.517 37 HA PHE 4 HA PHE 4 3.331 -1.874 0.856 38 HB2 PHE 4 HB1 PHE 4 5.072 -3.582 2.569 39 HB3 PHE 4 HB2 PHE 4 3.500 -3.139 3.156 40 HD1 PHE 4 HD2 PHE 4 2.963 -3.524 -0.357 41 HD2 PHE 4 HD1 PHE 4 3.729 -5.726 3.277 42 HE1 PHE 4 HE2 PHE 4 2.125 -5.587 -1.407 43 HE2 PHE 4 HE1 PHE 4 2.815 -7.765 2.212 44 HZ PHE 4 HZ PHE 4 2.051 -7.706 -0.145 45 H ASP 5 H ASP 5 4.232 0.910 1.137 46 HA ASP 5 HA ASP 5 1.903 0.817 3.015 47 HB2 ASP 5 HB1 ASP 5 1.707 3.168 2.770 48 HB3 ASP 5 HB2 ASP 5 3.295 2.739 3.335 49 H LEU 6 H LEU 6 2.528 0.018 -0.137 50 HA LEU 6 HA LEU 6 0.093 1.204 -1.231 51 HB2 LEU 6 HB1 LEU 6 0.964 1.051 -3.216 52 HB3 LEU 6 HB2 LEU 6 2.442 0.877 -2.289 53 HG LEU 6 HG LEU 6 2.752 -0.546 -3.996 54 HD11 LEU 6 HD21 LEU 6 1.460 -2.524 -2.118 55 HD12 LEU 6 HD22 LEU 6 2.764 -2.758 -3.282 56 HD13 LEU 6 HD23 LEU 6 3.028 -1.770 -1.820 57 HD21 LEU 6 HD11 LEU 6 1.152 -2.110 -4.999 58 HD22 LEU 6 HD12 LEU 6 0.584 -0.444 -5.100 59 HD23 LEU 6 HD13 LEU 6 -0.113 -1.549 -3.886 60 H LEU 7 H LEU 7 0.388 -1.817 0.289 61 HA LEU 7 HA LEU 7 -2.393 -2.526 -0.650 62 HB2 LEU 7 HB1 LEU 7 -0.359 -3.841 1.128 63 HB3 LEU 7 HB2 LEU 7 -2.071 -4.055 1.524 64 HG LEU 7 HG LEU 7 -2.586 -5.030 -0.614 65 HD11 LEU 7 HD21 LEU 7 -1.211 -3.914 -2.222 66 HD12 LEU 7 HD22 LEU 7 0.276 -4.321 -1.355 67 HD13 LEU 7 HD23 LEU 7 -0.655 -5.587 -2.198 68 HD21 LEU 7 HD11 LEU 7 -1.734 -6.495 1.137 69 HD22 LEU 7 HD12 LEU 7 -0.063 -6.131 0.678 70 HD23 LEU 7 HD13 LEU 7 -1.113 -7.055 -0.417 71 H LYS 8 H LYS 8 -0.606 -0.779 1.782 72 HA LYS 8 HA LYS 8 -3.041 0.072 3.175 73 HB2 LYS 8 HB1 LYS 8 -0.163 0.955 3.453 74 HB3 LYS 8 HB2 LYS 8 -1.469 1.598 4.379 75 HG2 LYS 8 HG1 LYS 8 0.209 -0.507 5.064 76 HG3 LYS 8 HG2 LYS 8 -1.231 0.006 5.905 77 HD2 LYS 8 HD1 LYS 8 -2.541 -1.717 4.586 78 HD3 LYS 8 HD2 LYS 8 -0.984 -2.308 3.951 79 HE2 LYS 8 HE1 LYS 8 -0.226 -2.766 6.279 80 HE3 LYS 8 HE2 LYS 8 -1.781 -2.194 6.891 81 HZ1 LYS 8 HZ1 LYS 8 -1.816 -4.573 6.747 82 HZ2 LYS 8 HZ2 LYS 8 -2.840 -4.011 5.602 83 HZ3 LYS 8 HZ3 LYS 8 -1.354 -4.584 5.179 84 H ARG 9 H ARG 9 -1.849 0.668 0.144 85 HA ARG 9 HA ARG 9 -3.562 3.079 -0.121 86 HB2 ARG 9 HB1 ARG 9 -1.387 3.101 -1.311 87 HB3 ARG 9 HB2 ARG 9 -1.905 1.741 -2.293 88 HG2 ARG 9 HG1 ARG 9 -3.124 2.994 -3.684 89 HG3 ARG 9 HG2 ARG 9 -3.874 3.926 -2.390 90 HD2 ARG 9 HD1 ARG 9 -1.081 4.407 -3.520 91 HD3 ARG 9 HD2 ARG 9 -2.532 5.319 -3.940 92 HE ARG 9 HE ARG 9 -2.664 6.144 -1.614 93 HH11 ARG 9 HH12 ARG 9 0.468 4.911 -2.537 94 HH12 ARG 9 HH11 ARG 9 1.196 5.505 -1.058 95 HH21 ARG 9 HH22 ARG 9 -1.601 6.902 0.235 96 HH22 ARG 9 HH21 ARG 9 0.110 6.674 0.306 97 H ILE 10 H ILE 10 -3.561 -0.399 -1.169 98 HA ILE 10 HA ILE 10 -6.084 -0.078 -2.501 99 HB ILE 10 HB ILE 10 -4.910 -2.648 -1.408 100 HG12 ILE 10 HG13 ILE 10 -4.905 -1.579 -4.280 101 HG13 ILE 10 HG12 ILE 10 -3.558 -1.329 -3.185 102 HG21 ILE 10 HG21 ILE 10 -6.425 -3.744 -3.071 103 HG22 ILE 10 HG22 ILE 10 -7.368 -2.861 -1.876 104 HG23 ILE 10 HG23 ILE 10 -7.120 -2.170 -3.485 105 HD11 ILE 10 HD11 ILE 10 -2.923 -3.166 -4.472 106 HD12 ILE 10 HD12 ILE 10 -4.500 -3.955 -4.342 107 HD13 ILE 10 HD13 ILE 10 -3.429 -3.876 -2.925 108 H LEU 11 H LEU 11 -5.451 -0.620 0.971 109 HA LEU 11 HA LEU 11 -8.186 -0.960 1.679 110 HB2 LEU 11 HB1 LEU 11 -7.336 -1.303 3.662 111 HB3 LEU 11 HB2 LEU 11 -5.758 -1.010 3.016 112 HG LEU 11 HG LEU 11 -6.711 1.591 3.791 113 HD11 LEU 11 HD21 LEU 11 -8.518 0.413 5.069 114 HD12 LEU 11 HD22 LEU 11 -7.393 1.306 6.091 115 HD13 LEU 11 HD23 LEU 11 -7.259 -0.464 5.974 116 HD21 LEU 11 HD11 LEU 11 -5.114 1.255 5.732 117 HD22 LEU 11 HD12 LEU 11 -4.494 1.187 4.104 118 HD23 LEU 11 HD13 LEU 11 -4.753 -0.336 5.023 119 H LYS 12 H LYS 12 -6.906 1.849 0.352 120 HA LYS 12 HA LYS 12 -7.243 3.832 2.183 121 HB2 LYS 12 HB1 LYS 12 -7.192 5.438 0.352 122 HB3 LYS 12 HB2 LYS 12 -6.114 4.097 0.013 123 HG2 LYS 12 HG1 LYS 12 -8.169 3.128 -1.373 124 HG3 LYS 12 HG2 LYS 12 -8.811 4.759 -1.208 125 HD2 LYS 12 HD1 LYS 12 -6.416 5.429 -2.229 126 HD3 LYS 12 HD2 LYS 12 -6.515 3.761 -2.855 127 HE2 LYS 12 HE1 LYS 12 -8.815 4.244 -3.702 128 HE3 LYS 12 HE2 LYS 12 -8.669 5.901 -3.103 129 HZ1 LYS 12 HZ1 LYS 12 -8.227 5.852 -5.425 130 HZ2 LYS 12 HZ2 LYS 12 -6.809 6.201 -4.685 131 HZ3 LYS 12 HZ3 LYS 12 -7.083 4.686 -5.298
Contact the webmaster for help, if required. Thursday, May 23, 2024 12:48:35 PM GMT (wattos1)