NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
614426 | 5ua6 | 30217 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -15.448 -4.163 0.353 2 H2 GLY 1 2HT GLY 1 -14.934 -2.595 -0.050 3 H3 GLY 1 3HT GLY 1 -16.589 -2.927 0.139 4 HA2 GLY 1 2HA GLY 1 -16.510 -2.504 2.296 5 HA3 GLY 1 1HA GLY 1 -15.193 -3.671 2.484 6 H VAL 2 H VAL 2 -15.837 -0.690 3.296 7 HA VAL 2 HA VAL 2 -13.923 1.019 2.213 8 HB VAL 2 HB VAL 2 -14.850 0.940 5.094 9 HG11 VAL 2 1HG1 VAL 2 -14.399 3.392 4.953 10 HG12 VAL 2 2HG1 VAL 2 -13.727 3.147 3.340 11 HG13 VAL 2 3HG1 VAL 2 -12.941 2.422 4.743 12 HG21 VAL 2 1HG2 VAL 2 -16.659 2.391 4.382 13 HG22 VAL 2 2HG2 VAL 2 -16.694 0.944 3.373 14 HG23 VAL 2 3HG2 VAL 2 -16.024 2.447 2.736 15 H VAL 3 H VAL 3 -13.560 -1.619 4.453 16 HA VAL 3 HA VAL 3 -10.981 -0.856 5.446 17 HB VAL 3 HB VAL 3 -12.220 -3.615 5.375 18 HG11 VAL 3 1HG1 VAL 3 -10.776 -3.960 7.361 19 HG12 VAL 3 2HG1 VAL 3 -10.120 -2.335 7.153 20 HG13 VAL 3 3HG1 VAL 3 -9.825 -3.568 5.928 21 HG21 VAL 3 1HG2 VAL 3 -12.538 -1.303 7.304 22 HG22 VAL 3 2HG2 VAL 3 -12.914 -2.969 7.746 23 HG23 VAL 3 3HG2 VAL 3 -13.809 -2.176 6.449 24 H ASP 4 H ASP 4 -12.043 -3.356 3.125 25 HA ASP 4 HA ASP 4 -9.457 -4.148 2.332 26 HB2 ASP 4 2HB ASP 4 -10.538 -5.233 0.466 27 HB3 ASP 4 1HB ASP 4 -11.568 -5.418 1.884 28 H ILE 5 H ILE 5 -11.486 -1.475 1.368 29 HA ILE 5 HA ILE 5 -10.071 -0.837 -1.033 30 HB ILE 5 HB ILE 5 -11.920 0.775 0.736 31 HG12 ILE 5 2HG1 ILE 5 -12.342 -0.289 -2.068 32 HG13 ILE 5 1HG1 ILE 5 -12.757 -1.228 -0.629 33 HG21 ILE 5 1HG2 ILE 5 -12.000 2.280 -1.344 34 HG22 ILE 5 2HG2 ILE 5 -10.509 1.481 -1.844 35 HG23 ILE 5 3HG2 ILE 5 -10.554 2.404 -0.341 36 HD11 ILE 5 1HD1 ILE 5 -14.613 0.237 -1.705 37 HD12 ILE 5 2HD1 ILE 5 -13.760 1.596 -0.972 38 HD13 ILE 5 3HD1 ILE 5 -14.411 0.310 0.045 39 H LEU 6 H LEU 6 -9.903 0.325 2.325 40 HA LEU 6 HA LEU 6 -7.876 2.256 1.791 41 HB2 LEU 6 2HB LEU 6 -8.163 2.852 3.959 42 HB3 LEU 6 1HB LEU 6 -9.586 1.818 3.858 43 HG LEU 6 HG LEU 6 -8.026 -0.102 4.594 44 HD11 LEU 6 1HD1 LEU 6 -5.845 0.358 4.945 45 HD12 LEU 6 2HD1 LEU 6 -6.279 1.584 6.135 46 HD13 LEU 6 3HD1 LEU 6 -6.112 2.024 4.437 47 HD21 LEU 6 1HD2 LEU 6 -8.354 0.452 6.944 48 HD22 LEU 6 2HD2 LEU 6 -9.748 1.019 6.024 49 HD23 LEU 6 3HD2 LEU 6 -8.515 2.164 6.550 50 H LYS 7 H LYS 7 -7.868 -1.134 2.728 51 HA LYS 7 HA LYS 7 -5.177 -1.357 3.513 52 HB2 LYS 7 2HB LYS 7 -7.358 -3.150 2.853 53 HB3 LYS 7 1HB LYS 7 -5.852 -3.745 2.188 54 HG2 LYS 7 2HG LYS 7 -6.061 -4.639 4.415 55 HG3 LYS 7 1HG LYS 7 -4.789 -3.416 4.445 56 HD2 LYS 7 2HD LYS 7 -6.089 -1.891 5.612 57 HD3 LYS 7 1HD LYS 7 -7.596 -2.560 4.991 58 HE2 LYS 7 2HE LYS 7 -7.457 -4.460 6.455 59 HE3 LYS 7 1HE LYS 7 -5.805 -4.052 6.922 60 HZ1 LYS 7 1HZ LYS 7 -7.805 -3.395 8.431 61 HZ2 LYS 7 2HZ LYS 7 -7.936 -2.083 7.361 62 HZ3 LYS 7 3HZ LYS 7 -6.499 -2.331 8.233 63 H GLY 8 H GLY 8 -6.499 -0.492 0.567 64 HA2 GLY 8 2HA GLY 8 -4.741 -1.699 -1.290 65 HA3 GLY 8 1HA GLY 8 -5.635 -0.196 -1.547 66 H ALA 9 H ALA 9 -4.607 1.411 0.427 67 HA ALA 9 HA ALA 9 -2.059 2.138 -0.696 68 HB1 ALA 9 1HB ALA 9 -3.485 3.940 -0.064 69 HB2 ALA 9 2HB ALA 9 -2.164 3.932 1.105 70 HB3 ALA 9 3HB ALA 9 -3.737 3.266 1.546 71 H ALA 10 H ALA 10 -3.197 0.516 2.192 72 HA ALA 10 HA ALA 10 -1.045 0.718 3.901 73 HB1 ALA 10 1HB ALA 10 -3.129 -0.451 4.472 74 HB2 ALA 10 2HB ALA 10 -1.725 -1.468 4.797 75 HB3 ALA 10 3HB ALA 10 -2.707 -1.754 3.359 76 H LYS 11 H LYS 11 -1.472 -1.695 1.303 77 HA LYS 11 HA LYS 11 0.955 -3.047 1.689 78 HB2 LYS 11 2HB LYS 11 0.597 -4.032 -0.434 79 HB3 LYS 11 1HB LYS 11 -1.015 -3.726 0.213 80 HG2 LYS 11 2HG LYS 11 -0.651 -1.384 -1.057 81 HG3 LYS 11 1HG LYS 11 0.410 -2.390 -2.051 82 HD2 LYS 11 2HD LYS 11 -2.489 -3.038 -1.419 83 HD3 LYS 11 1HD LYS 11 -1.928 -2.308 -2.923 84 HE2 LYS 11 2HE LYS 11 -0.555 -4.265 -3.410 85 HE3 LYS 11 1HE LYS 11 -0.990 -4.989 -1.862 86 HZ1 LYS 11 1HZ LYS 11 -3.301 -5.018 -2.564 87 HZ2 LYS 11 2HZ LYS 11 -2.328 -5.885 -3.656 88 HZ3 LYS 11 3HZ LYS 11 -2.880 -4.328 -4.055 89 H ASP 12 H ASP 12 0.225 -0.034 0.076 90 HA ASP 12 HA ASP 12 2.633 0.218 -1.408 91 HB2 ASP 12 2HB ASP 12 0.354 1.546 -1.459 92 HB3 ASP 12 1HB ASP 12 1.190 2.605 -0.323 93 H ILE 13 H ILE 13 1.615 1.448 1.766 94 HA ILE 13 HA ILE 13 3.886 2.877 2.472 95 HB ILE 13 HB ILE 13 2.106 1.166 4.229 96 HG12 ILE 13 2HG1 ILE 13 2.082 4.159 3.742 97 HG13 ILE 13 1HG1 ILE 13 1.032 3.027 2.889 98 HG21 ILE 13 1HG2 ILE 13 2.945 2.770 6.015 99 HG22 ILE 13 2HG2 ILE 13 4.183 3.276 4.867 100 HG23 ILE 13 3HG2 ILE 13 4.137 1.607 5.434 101 HD11 ILE 13 1HD1 ILE 13 0.239 2.217 5.159 102 HD12 ILE 13 2HD1 ILE 13 -0.229 3.869 4.754 103 HD13 ILE 13 3HD1 ILE 13 1.109 3.578 5.865 104 H ALA 14 H ALA 14 3.368 -0.512 2.144 105 HA ALA 14 HA ALA 14 5.951 -1.140 3.434 106 HB1 ALA 14 1HB ALA 14 4.169 -2.500 4.271 107 HB2 ALA 14 2HB ALA 14 5.137 -3.520 3.208 108 HB3 ALA 14 3HB ALA 14 3.601 -2.865 2.641 109 H GLY 15 H GLY 15 4.388 -0.923 0.359 110 HA2 GLY 15 2HA GLY 15 6.514 -2.486 -0.956 111 HA3 GLY 15 1HA GLY 15 4.990 -1.984 -1.695 112 H HIS 16 H HIS 16 4.749 0.549 -1.649 113 HA HIS 16 HA HIS 16 6.552 1.641 -3.440 114 HB2 HIS 16 2HB HIS 16 4.474 2.733 -3.197 115 HB3 HIS 16 1HB HIS 16 4.668 2.889 -1.451 116 HD2 HIS 16 2HD HIS 16 5.191 5.530 -0.936 117 HE1 HIS 16 1HE HIS 16 7.690 6.331 -4.243 118 HE2 HIS 16 2HE HIS 16 6.663 7.321 -2.139 119 H LEU 17 H LEU 17 6.571 1.737 0.100 120 HA LEU 17 HA LEU 17 8.755 3.525 0.370 121 HB2 LEU 17 2HB LEU 17 7.454 1.465 2.138 122 HB3 LEU 17 1HB LEU 17 8.864 2.378 2.670 123 HG LEU 17 HG LEU 17 6.539 3.316 3.271 124 HD11 LEU 17 1HD1 LEU 17 7.350 5.531 3.229 125 HD12 LEU 17 2HD1 LEU 17 8.246 5.269 1.734 126 HD13 LEU 17 3HD1 LEU 17 8.814 4.549 3.240 127 HD21 LEU 17 1HD2 LEU 17 6.645 4.292 0.408 128 HD22 LEU 17 2HD2 LEU 17 5.371 4.573 1.591 129 HD23 LEU 17 3HD2 LEU 17 5.626 2.956 0.944 130 H ALA 18 H ALA 18 8.477 0.011 0.202 131 HA ALA 18 HA ALA 18 11.245 -0.513 0.696 132 HB1 ALA 18 1HB ALA 18 9.518 -2.214 1.084 133 HB2 ALA 18 2HB ALA 18 10.718 -2.793 -0.072 134 HB3 ALA 18 3HB ALA 18 9.143 -2.236 -0.639 135 H SER 19 H SER 19 9.266 -0.462 -2.267 136 HA SER 19 HA SER 19 11.268 -1.098 -4.103 137 HB2 SER 19 2HB SER 19 8.705 -0.758 -4.433 138 HB3 SER 19 1HB SER 19 9.141 0.919 -4.748 139 HG SER 19 HG SER 19 9.814 -1.421 -6.154 140 H LYS 20 H LYS 20 10.436 1.977 -2.601 141 HA LYS 20 HA LYS 20 11.910 3.719 -4.193 142 HB2 LYS 20 2HB LYS 20 10.315 4.224 -2.231 143 HB3 LYS 20 1HB LYS 20 11.752 4.031 -1.225 144 HG2 LYS 20 2HG LYS 20 12.917 5.775 -2.469 145 HG3 LYS 20 1HG LYS 20 11.554 5.928 -3.577 146 HD2 LYS 20 2HD LYS 20 11.458 7.706 -1.895 147 HD3 LYS 20 1HD LYS 20 10.105 6.597 -1.674 148 HE2 LYS 20 2HE LYS 20 12.650 6.073 -0.172 149 HE3 LYS 20 1HE LYS 20 11.572 7.346 0.401 150 HZ1 LYS 20 1HZ LYS 20 9.874 5.314 -0.120 151 HZ2 LYS 20 2HZ LYS 20 10.500 5.695 1.413 152 HZ3 LYS 20 3HZ LYS 20 11.235 4.490 0.467 153 H VAL 21 H VAL 21 12.941 1.864 -1.346 154 HA VAL 21 HA VAL 21 15.681 2.797 -1.627 155 HB VAL 21 HB VAL 21 14.842 2.497 0.617 156 HG11 VAL 21 1HG1 VAL 21 14.273 -0.337 -0.287 157 HG12 VAL 21 2HG1 VAL 21 13.092 0.871 0.216 158 HG13 VAL 21 3HG1 VAL 21 14.214 0.189 1.394 159 HG21 VAL 21 1HG2 VAL 21 16.670 0.148 0.071 160 HG22 VAL 21 2HG2 VAL 21 16.607 1.160 1.514 161 HG23 VAL 21 3HG2 VAL 21 17.237 1.816 0.003 162 H MET 22 H MET 22 13.768 0.260 -2.872 163 HA MET 22 HA MET 22 16.171 -1.353 -3.499 164 HB2 MET 22 2HB MET 22 13.239 -2.115 -3.547 165 HB3 MET 22 1HB MET 22 14.573 -3.174 -4.022 166 HG2 MET 22 2HG MET 22 15.461 -2.400 -1.577 167 HG3 MET 22 1HG MET 22 13.715 -2.307 -1.309 168 HE1 MET 22 1HE MET 22 12.228 -3.973 -2.538 169 HE2 MET 22 2HE MET 22 12.193 -4.572 -0.882 170 HE3 MET 22 3HE MET 22 12.371 -5.706 -2.218 171 HN1 NH2 23 HN1 NH2 23 14.581 1.106 -4.909 172 HN2 NH2 23 HN2 NH2 23 14.632 0.618 -6.533 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -14.554 -4.725 0.495 2 H2 GLY 1 2HT GLY 1 -15.217 -4.735 2.060 3 H3 GLY 1 3HT GLY 1 -13.681 -4.062 1.789 4 HA2 GLY 1 2HA GLY 1 -15.471 -2.773 0.074 5 HA3 GLY 1 1HA GLY 1 -16.175 -2.791 1.699 6 H VAL 2 H VAL 2 -15.760 -0.863 2.595 7 HA VAL 2 HA VAL 2 -13.795 0.959 1.990 8 HB VAL 2 HB VAL 2 -15.720 1.367 3.518 9 HG11 VAL 2 1HG1 VAL 2 -14.002 0.057 5.637 10 HG12 VAL 2 2HG1 VAL 2 -15.306 -0.796 4.811 11 HG13 VAL 2 3HG1 VAL 2 -15.664 0.625 5.792 12 HG21 VAL 2 1HG2 VAL 2 -13.104 2.012 4.897 13 HG22 VAL 2 2HG2 VAL 2 -14.578 2.980 4.861 14 HG23 VAL 2 3HG2 VAL 2 -13.599 2.809 3.404 15 H VAL 3 H VAL 3 -13.507 -1.982 3.827 16 HA VAL 3 HA VAL 3 -11.048 -1.357 5.134 17 HB VAL 3 HB VAL 3 -12.262 -4.045 4.451 18 HG11 VAL 3 1HG1 VAL 3 -10.822 -4.753 6.428 19 HG12 VAL 3 2HG1 VAL 3 -10.007 -3.196 6.284 20 HG13 VAL 3 3HG1 VAL 3 -9.937 -4.354 4.956 21 HG21 VAL 3 1HG2 VAL 3 -12.904 -3.911 6.918 22 HG22 VAL 3 2HG2 VAL 3 -13.789 -2.829 5.843 23 HG23 VAL 3 3HG2 VAL 3 -12.479 -2.202 6.844 24 H ASP 4 H ASP 4 -11.786 -3.389 2.286 25 HA ASP 4 HA ASP 4 -9.122 -3.958 1.603 26 HB2 ASP 4 2HB ASP 4 -9.973 -4.643 -0.542 27 HB3 ASP 4 1HB ASP 4 -11.154 -5.106 0.683 28 H ILE 5 H ILE 5 -11.166 -1.189 0.875 29 HA ILE 5 HA ILE 5 -9.510 -0.053 -1.132 30 HB ILE 5 HB ILE 5 -11.567 1.147 0.730 31 HG12 ILE 5 2HG1 ILE 5 -11.605 0.707 -2.270 32 HG13 ILE 5 1HG1 ILE 5 -12.239 -0.468 -1.114 33 HG21 ILE 5 1HG2 ILE 5 -11.429 3.090 -0.955 34 HG22 ILE 5 2HG2 ILE 5 -9.865 2.421 -1.420 35 HG23 ILE 5 3HG2 ILE 5 -10.130 2.977 0.232 36 HD11 ILE 5 1HD1 ILE 5 -13.143 2.418 -1.141 37 HD12 ILE 5 2HD1 ILE 5 -13.910 1.048 -0.339 38 HD13 ILE 5 3HD1 ILE 5 -13.942 1.171 -2.098 39 H LEU 6 H LEU 6 -9.722 0.475 2.386 40 HA LEU 6 HA LEU 6 -7.677 2.443 2.458 41 HB2 LEU 6 2HB LEU 6 -8.174 2.574 4.664 42 HB3 LEU 6 1HB LEU 6 -9.552 1.566 4.225 43 HG LEU 6 HG LEU 6 -7.996 -0.446 4.684 44 HD11 LEU 6 1HD1 LEU 6 -6.444 0.898 6.693 45 HD12 LEU 6 2HD1 LEU 6 -6.156 1.702 5.151 46 HD13 LEU 6 3HD1 LEU 6 -5.870 -0.028 5.310 47 HD21 LEU 6 1HD2 LEU 6 -9.878 0.383 6.154 48 HD22 LEU 6 2HD2 LEU 6 -8.682 1.319 7.050 49 HD23 LEU 6 3HD2 LEU 6 -8.585 -0.441 7.025 50 H LYS 7 H LYS 7 -7.669 -1.068 2.647 51 HA LYS 7 HA LYS 7 -5.038 -1.413 3.602 52 HB2 LYS 7 2HB LYS 7 -7.119 -3.072 2.440 53 HB3 LYS 7 1HB LYS 7 -5.546 -3.518 1.811 54 HG2 LYS 7 2HG LYS 7 -5.921 -4.813 3.808 55 HG3 LYS 7 1HG LYS 7 -4.686 -3.605 4.173 56 HD2 LYS 7 2HD LYS 7 -6.119 -2.329 5.477 57 HD3 LYS 7 1HD LYS 7 -7.551 -2.897 4.622 58 HE2 LYS 7 2HE LYS 7 -7.372 -5.086 5.694 59 HE3 LYS 7 1HE LYS 7 -5.873 -4.599 6.485 60 HZ1 LYS 7 1HZ LYS 7 -8.546 -4.120 7.285 61 HZ2 LYS 7 2HZ LYS 7 -7.729 -2.645 7.082 62 HZ3 LYS 7 3HZ LYS 7 -7.108 -3.825 8.135 63 H GLY 8 H GLY 8 -6.150 0.021 0.808 64 HA2 GLY 8 2HA GLY 8 -4.298 -0.796 -1.154 65 HA3 GLY 8 1HA GLY 8 -5.127 0.766 -1.117 66 H ALA 9 H ALA 9 -4.195 1.939 1.131 67 HA ALA 9 HA ALA 9 -1.523 2.692 0.372 68 HB1 ALA 9 1HB ALA 9 -3.005 4.409 1.193 69 HB2 ALA 9 2HB ALA 9 -1.704 4.207 2.366 70 HB3 ALA 9 3HB ALA 9 -3.294 3.512 2.685 71 H ALA 10 H ALA 10 -3.001 0.684 2.830 72 HA ALA 10 HA ALA 10 -0.900 0.473 4.657 73 HB1 ALA 10 1HB ALA 10 -3.235 -0.450 4.908 74 HB2 ALA 10 2HB ALA 10 -1.946 -1.539 5.421 75 HB3 ALA 10 3HB ALA 10 -2.743 -1.786 3.867 76 H LYS 11 H LYS 11 -1.573 -1.575 1.805 77 HA LYS 11 HA LYS 11 0.830 -3.110 2.158 78 HB2 LYS 11 2HB LYS 11 0.221 -4.195 0.090 79 HB3 LYS 11 1HB LYS 11 -1.241 -3.978 1.054 80 HG2 LYS 11 2HG LYS 11 -1.482 -1.732 -0.254 81 HG3 LYS 11 1HG LYS 11 -0.356 -2.471 -1.402 82 HD2 LYS 11 2HD LYS 11 -3.045 -3.571 -0.529 83 HD3 LYS 11 1HD LYS 11 -2.627 -2.950 -2.126 84 HE2 LYS 11 2HE LYS 11 -2.411 -5.263 -2.425 85 HE3 LYS 11 1HE LYS 11 -0.753 -4.779 -2.065 86 HZ1 LYS 11 1HZ LYS 11 -1.833 -6.746 -0.795 87 HZ2 LYS 11 2HZ LYS 11 -2.560 -5.523 0.134 88 HZ3 LYS 11 3HZ LYS 11 -0.867 -5.635 0.046 89 H ASP 12 H ASP 12 -0.077 -0.266 0.301 90 HA ASP 12 HA ASP 12 2.233 -0.275 -1.394 91 HB2 ASP 12 2HB ASP 12 -0.078 0.972 -1.592 92 HB3 ASP 12 1HB ASP 12 0.763 2.238 -0.698 93 H ILE 13 H ILE 13 1.321 1.509 1.538 94 HA ILE 13 HA ILE 13 3.615 3.064 1.838 95 HB ILE 13 HB ILE 13 1.738 1.843 3.867 96 HG12 ILE 13 2HG1 ILE 13 2.141 4.748 3.141 97 HG13 ILE 13 1HG1 ILE 13 1.064 3.712 2.206 98 HG21 ILE 13 1HG2 ILE 13 4.145 3.628 4.261 99 HG22 ILE 13 2HG2 ILE 13 3.749 2.130 5.105 100 HG23 ILE 13 3HG2 ILE 13 2.814 3.592 5.416 101 HD11 ILE 13 1HD1 ILE 13 0.873 4.161 5.200 102 HD12 ILE 13 2HD1 ILE 13 -0.229 3.191 4.223 103 HD13 ILE 13 3HD1 ILE 13 -0.151 4.939 3.993 104 H ALA 14 H ALA 14 3.069 -0.308 2.249 105 HA ALA 14 HA ALA 14 5.673 -0.687 3.589 106 HB1 ALA 14 1HB ALA 14 3.971 -1.859 4.741 107 HB2 ALA 14 2HB ALA 14 4.804 -3.088 3.789 108 HB3 ALA 14 3HB ALA 14 3.252 -2.452 3.245 109 H GLY 15 H GLY 15 4.060 -1.088 0.553 110 HA2 GLY 15 2HA GLY 15 6.181 -2.884 -0.444 111 HA3 GLY 15 1HA GLY 15 4.633 -2.576 -1.236 112 H HIS 16 H HIS 16 4.341 -0.095 -1.726 113 HA HIS 16 HA HIS 16 6.074 0.613 -3.759 114 HB2 HIS 16 2HB HIS 16 3.965 1.687 -3.674 115 HB3 HIS 16 1HB HIS 16 4.231 2.246 -2.023 116 HD2 HIS 16 2HD HIS 16 4.732 4.932 -2.140 117 HE1 HIS 16 1HE HIS 16 7.028 4.995 -5.682 118 HE2 HIS 16 2HE HIS 16 6.096 6.421 -3.798 119 H LEU 17 H LEU 17 6.176 1.482 -0.327 120 HA LEU 17 HA LEU 17 8.336 3.312 -0.512 121 HB2 LEU 17 2HB LEU 17 7.108 1.681 1.699 122 HB3 LEU 17 1HB LEU 17 8.516 2.702 1.981 123 HG LEU 17 HG LEU 17 6.176 3.714 2.415 124 HD11 LEU 17 1HD1 LEU 17 7.852 5.319 0.486 125 HD12 LEU 17 2HD1 LEU 17 8.436 4.935 2.105 126 HD13 LEU 17 3HD1 LEU 17 6.964 5.882 1.901 127 HD21 LEU 17 1HD2 LEU 17 4.977 4.585 0.526 128 HD22 LEU 17 2HD2 LEU 17 5.252 2.873 0.217 129 HD23 LEU 17 3HD2 LEU 17 6.247 4.086 -0.588 130 H ALA 18 H ALA 18 8.110 -0.156 0.127 131 HA ALA 18 HA ALA 18 10.755 -0.681 0.835 132 HB1 ALA 18 1HB ALA 18 8.785 -2.288 0.858 133 HB2 ALA 18 2HB ALA 18 10.316 -2.958 0.296 134 HB3 ALA 18 3HB ALA 18 9.067 -2.515 -0.869 135 H SER 19 H SER 19 9.278 -0.557 -2.400 136 HA SER 19 HA SER 19 11.693 -1.212 -3.771 137 HB2 SER 19 2HB SER 19 10.367 -0.233 -5.761 138 HB3 SER 19 1HB SER 19 9.748 -1.684 -4.980 139 HG SER 19 HG SER 19 8.626 0.051 -3.596 140 H LYS 20 H LYS 20 10.262 1.738 -2.593 141 HA LYS 20 HA LYS 20 11.444 3.677 -4.149 142 HB2 LYS 20 2HB LYS 20 9.873 3.956 -2.146 143 HB3 LYS 20 1HB LYS 20 11.340 3.904 -1.168 144 HG2 LYS 20 2HG LYS 20 12.274 5.797 -2.413 145 HG3 LYS 20 1HG LYS 20 10.848 5.835 -3.447 146 HD2 LYS 20 2HD LYS 20 10.609 7.537 -1.723 147 HD3 LYS 20 1HD LYS 20 9.442 6.250 -1.421 148 HE2 LYS 20 2HE LYS 20 10.619 5.430 0.420 149 HE3 LYS 20 1HE LYS 20 12.151 6.113 -0.125 150 HZ1 LYS 20 1HZ LYS 20 10.016 7.337 1.399 151 HZ2 LYS 20 2HZ LYS 20 10.674 8.315 0.174 152 HZ3 LYS 20 3HZ LYS 20 11.677 7.678 1.389 153 H VAL 21 H VAL 21 12.864 1.787 -1.537 154 HA VAL 21 HA VAL 21 15.421 3.165 -1.799 155 HB VAL 21 HB VAL 21 14.725 2.620 0.439 156 HG11 VAL 21 1HG1 VAL 21 13.186 0.841 0.142 157 HG12 VAL 21 2HG1 VAL 21 14.531 0.127 1.033 158 HG13 VAL 21 3HG1 VAL 21 14.374 -0.152 -0.701 159 HG21 VAL 21 1HG2 VAL 21 16.678 1.478 1.202 160 HG22 VAL 21 2HG2 VAL 21 17.164 2.290 -0.287 161 HG23 VAL 21 3HG2 VAL 21 16.816 0.561 -0.299 162 H MET 22 H MET 22 13.889 0.178 -2.791 163 HA MET 22 HA MET 22 16.468 -0.855 -3.790 164 HB2 MET 22 2HB MET 22 13.763 -2.185 -3.479 165 HB3 MET 22 1HB MET 22 15.180 -2.960 -4.197 166 HG2 MET 22 2HG MET 22 16.275 -2.073 -1.875 167 HG3 MET 22 1HG MET 22 14.605 -2.324 -1.347 168 HE1 MET 22 1HE MET 22 13.855 -4.640 -0.433 169 HE2 MET 22 2HE MET 22 13.838 -5.917 -1.647 170 HE3 MET 22 3HE MET 22 13.247 -4.309 -2.059 171 HN1 NH2 23 HN1 NH2 23 14.873 1.394 -5.084 172 HN2 NH2 23 HN2 NH2 23 14.584 0.847 -6.664 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -15.963 -3.632 5.728 2 H2 GLY 1 2HT GLY 1 -14.343 -3.872 5.275 3 H3 GLY 1 3HT GLY 1 -15.492 -5.098 5.018 4 HA2 GLY 1 2HA GLY 1 -15.411 -4.257 2.922 5 HA3 GLY 1 1HA GLY 1 -16.671 -3.229 3.622 6 H VAL 2 H VAL 2 -16.038 -1.140 4.477 7 HA VAL 2 HA VAL 2 -14.557 0.440 2.785 8 HB VAL 2 HB VAL 2 -16.072 1.333 4.506 9 HG11 VAL 2 1HG1 VAL 2 -15.239 -0.298 6.282 10 HG12 VAL 2 2HG1 VAL 2 -15.480 1.362 6.826 11 HG13 VAL 2 3HG1 VAL 2 -13.853 0.773 6.486 12 HG21 VAL 2 1HG2 VAL 2 -13.259 2.377 4.936 13 HG22 VAL 2 2HG2 VAL 2 -14.768 3.284 5.053 14 HG23 VAL 2 3HG2 VAL 2 -14.202 2.712 3.484 15 H VAL 3 H VAL 3 -13.419 -1.640 5.329 16 HA VAL 3 HA VAL 3 -10.851 -0.490 5.694 17 HB VAL 3 HB VAL 3 -11.749 -3.354 6.083 18 HG11 VAL 3 1HG1 VAL 3 -9.305 -1.800 6.958 19 HG12 VAL 3 2HG1 VAL 3 -9.361 -3.316 6.057 20 HG13 VAL 3 3HG1 VAL 3 -9.818 -3.285 7.760 21 HG21 VAL 3 1HG2 VAL 3 -13.108 -1.912 7.440 22 HG22 VAL 3 2HG2 VAL 3 -11.720 -0.917 7.882 23 HG23 VAL 3 3HG2 VAL 3 -11.860 -2.562 8.503 24 H ASP 4 H ASP 4 -11.891 -3.319 3.777 25 HA ASP 4 HA ASP 4 -9.427 -3.918 2.619 26 HB2 ASP 4 2HB ASP 4 -10.643 -5.167 0.979 27 HB3 ASP 4 1HB ASP 4 -11.538 -5.296 2.491 28 H ILE 5 H ILE 5 -11.703 -1.383 1.876 29 HA ILE 5 HA ILE 5 -10.745 -0.752 -0.723 30 HB ILE 5 HB ILE 5 -12.092 1.042 1.310 31 HG12 ILE 5 2HG1 ILE 5 -13.224 -1.186 0.469 32 HG13 ILE 5 1HG1 ILE 5 -14.156 0.312 0.489 33 HG21 ILE 5 1HG2 ILE 5 -12.827 2.191 -0.882 34 HG22 ILE 5 2HG2 ILE 5 -11.507 1.300 -1.639 35 HG23 ILE 5 3HG2 ILE 5 -11.167 2.451 -0.347 36 HD11 ILE 5 1HD1 ILE 5 -14.000 0.589 -1.838 37 HD12 ILE 5 2HD1 ILE 5 -14.195 -1.155 -1.670 38 HD13 ILE 5 3HD1 ILE 5 -12.599 -0.472 -1.970 39 H LEU 6 H LEU 6 -9.892 0.405 2.524 40 HA LEU 6 HA LEU 6 -8.029 2.348 1.570 41 HB2 LEU 6 2HB LEU 6 -7.870 2.974 3.746 42 HB3 LEU 6 1HB LEU 6 -9.312 1.977 3.924 43 HG LEU 6 HG LEU 6 -7.666 0.025 4.373 44 HD11 LEU 6 1HD1 LEU 6 -5.453 0.461 4.401 45 HD12 LEU 6 2HD1 LEU 6 -5.687 1.741 5.589 46 HD13 LEU 6 3HD1 LEU 6 -5.788 2.108 3.869 47 HD21 LEU 6 1HD2 LEU 6 -7.465 0.720 6.772 48 HD22 LEU 6 2HD2 LEU 6 -9.081 0.967 6.111 49 HD23 LEU 6 3HD2 LEU 6 -7.989 2.338 6.306 50 H LYS 7 H LYS 7 -7.817 -1.025 2.562 51 HA LYS 7 HA LYS 7 -5.065 -1.281 2.892 52 HB2 LYS 7 2HB LYS 7 -7.313 -3.056 2.370 53 HB3 LYS 7 1HB LYS 7 -5.866 -3.610 1.557 54 HG2 LYS 7 2HG LYS 7 -5.841 -4.606 3.732 55 HG3 LYS 7 1HG LYS 7 -4.630 -3.322 3.753 56 HD2 LYS 7 2HD LYS 7 -5.944 -1.916 5.065 57 HD3 LYS 7 1HD LYS 7 -7.442 -2.686 4.548 58 HE2 LYS 7 2HE LYS 7 -7.074 -4.582 5.941 59 HE3 LYS 7 1HE LYS 7 -5.387 -4.146 6.212 60 HZ1 LYS 7 1HZ LYS 7 -7.475 -2.247 7.001 61 HZ2 LYS 7 2HZ LYS 7 -5.941 -2.511 7.681 62 HZ3 LYS 7 3HZ LYS 7 -7.206 -3.603 7.982 63 H GLY 8 H GLY 8 -6.819 -0.393 0.145 64 HA2 GLY 8 2HA GLY 8 -5.306 -1.451 -1.970 65 HA3 GLY 8 1HA GLY 8 -6.202 0.071 -2.027 66 H ALA 9 H ALA 9 -4.931 1.634 -0.222 67 HA ALA 9 HA ALA 9 -2.507 2.325 -1.609 68 HB1 ALA 9 1HB ALA 9 -4.173 3.954 -0.575 69 HB2 ALA 9 2HB ALA 9 -2.470 4.266 -0.235 70 HB3 ALA 9 3HB ALA 9 -3.490 3.508 0.988 71 H ALA 10 H ALA 10 -3.344 0.712 1.384 72 HA ALA 10 HA ALA 10 -1.013 0.874 2.844 73 HB1 ALA 10 1HB ALA 10 -2.758 -1.574 2.489 74 HB2 ALA 10 2HB ALA 10 -3.044 -0.266 3.637 75 HB3 ALA 10 3HB ALA 10 -1.624 -1.299 3.811 76 H LYS 11 H LYS 11 -1.742 -1.373 0.180 77 HA LYS 11 HA LYS 11 0.553 -2.943 0.292 78 HB2 LYS 11 2HB LYS 11 0.067 -3.606 -1.922 79 HB3 LYS 11 1HB LYS 11 -1.500 -3.189 -1.229 80 HG2 LYS 11 2HG LYS 11 -0.965 -0.791 -2.190 81 HG3 LYS 11 1HG LYS 11 0.144 -1.680 -3.244 82 HD2 LYS 11 2HD LYS 11 -2.816 -2.275 -2.923 83 HD3 LYS 11 1HD LYS 11 -2.093 -1.416 -4.284 84 HE2 LYS 11 2HE LYS 11 -0.647 -3.440 -4.694 85 HE3 LYS 11 1HE LYS 11 -1.584 -4.288 -3.463 86 HZ1 LYS 11 1HZ LYS 11 -2.757 -4.841 -5.314 87 HZ2 LYS 11 2HZ LYS 11 -2.387 -3.399 -6.134 88 HZ3 LYS 11 3HZ LYS 11 -3.565 -3.405 -4.910 89 H ASP 12 H ASP 12 0.113 0.314 -0.909 90 HA ASP 12 HA ASP 12 2.611 0.470 -2.309 91 HB2 ASP 12 2HB ASP 12 0.403 1.935 -2.420 92 HB3 ASP 12 1HB ASP 12 1.253 2.895 -1.209 93 H ILE 13 H ILE 13 1.440 1.608 0.846 94 HA ILE 13 HA ILE 13 3.755 2.850 1.770 95 HB ILE 13 HB ILE 13 1.898 1.172 3.473 96 HG12 ILE 13 2HG1 ILE 13 1.567 4.018 2.465 97 HG13 ILE 13 1HG1 ILE 13 0.560 2.639 2.027 98 HG21 ILE 13 1HG2 ILE 13 3.372 3.747 4.092 99 HG22 ILE 13 2HG2 ILE 13 4.014 2.148 4.471 100 HG23 ILE 13 3HG2 ILE 13 2.521 2.701 5.229 101 HD11 ILE 13 1HD1 ILE 13 0.049 2.377 4.507 102 HD12 ILE 13 2HD1 ILE 13 -0.627 3.815 3.744 103 HD13 ILE 13 3HD1 ILE 13 0.820 3.945 4.744 104 H ALA 14 H ALA 14 2.993 -0.473 1.282 105 HA ALA 14 HA ALA 14 5.407 -1.356 2.737 106 HB1 ALA 14 1HB ALA 14 4.467 -3.556 2.708 107 HB2 ALA 14 2HB ALA 14 3.239 -3.083 1.533 108 HB3 ALA 14 3HB ALA 14 3.173 -2.454 3.179 109 H GLY 15 H GLY 15 4.113 -0.908 -0.438 110 HA2 GLY 15 2HA GLY 15 6.217 -2.586 -1.648 111 HA3 GLY 15 1HA GLY 15 4.795 -1.949 -2.480 112 H HIS 16 H HIS 16 4.736 0.602 -2.335 113 HA HIS 16 HA HIS 16 6.734 1.615 -3.956 114 HB2 HIS 16 2HB HIS 16 4.714 2.842 -3.789 115 HB3 HIS 16 1HB HIS 16 4.835 2.944 -2.033 116 HD2 HIS 16 2HD HIS 16 5.544 5.514 -1.414 117 HE1 HIS 16 1HE HIS 16 8.231 6.211 -4.594 118 HE2 HIS 16 2HE HIS 16 7.197 7.219 -2.504 119 H LEU 17 H LEU 17 6.521 1.553 -0.426 120 HA LEU 17 HA LEU 17 8.826 3.149 0.054 121 HB2 LEU 17 2HB LEU 17 7.217 1.179 1.667 122 HB3 LEU 17 1HB LEU 17 8.653 1.961 2.324 123 HG LEU 17 HG LEU 17 6.364 3.071 2.768 124 HD11 LEU 17 1HD1 LEU 17 7.354 5.222 2.844 125 HD12 LEU 17 2HD1 LEU 17 8.376 4.892 1.447 126 HD13 LEU 17 3HD1 LEU 17 8.712 4.108 2.990 127 HD21 LEU 17 1HD2 LEU 17 5.618 2.860 0.367 128 HD22 LEU 17 2HD2 LEU 17 6.799 4.104 -0.046 129 HD23 LEU 17 3HD2 LEU 17 5.463 4.481 1.037 130 H ALA 18 H ALA 18 8.231 -0.321 -0.216 131 HA ALA 18 HA ALA 18 10.679 -1.331 0.602 132 HB1 ALA 18 1HB ALA 18 8.689 -2.700 -0.012 133 HB2 ALA 18 2HB ALA 18 10.182 -3.285 -0.745 134 HB3 ALA 18 3HB ALA 18 9.027 -2.368 -1.711 135 H SER 19 H SER 19 9.837 0.274 -2.396 136 HA SER 19 HA SER 19 12.253 -0.465 -3.757 137 HB2 SER 19 2HB SER 19 11.317 1.718 -5.116 138 HB3 SER 19 1HB SER 19 10.791 0.062 -5.400 139 HG SER 19 HG SER 19 8.916 0.927 -4.917 140 H LYS 20 H LYS 20 11.126 2.300 -1.886 141 HA LYS 20 HA LYS 20 13.066 4.179 -2.442 142 HB2 LYS 20 2HB LYS 20 11.059 4.381 -0.887 143 HB3 LYS 20 1HB LYS 20 12.098 3.655 0.342 144 HG2 LYS 20 2HG LYS 20 13.773 5.451 -0.036 145 HG3 LYS 20 1HG LYS 20 12.677 6.202 -1.194 146 HD2 LYS 20 2HD LYS 20 11.728 5.590 1.599 147 HD3 LYS 20 1HD LYS 20 12.671 7.045 1.285 148 HE2 LYS 20 2HE LYS 20 11.027 7.661 -0.506 149 HE3 LYS 20 1HE LYS 20 10.048 6.274 -0.026 150 HZ1 LYS 20 1HZ LYS 20 10.477 8.807 1.335 151 HZ2 LYS 20 2HZ LYS 20 10.420 7.428 2.328 152 HZ3 LYS 20 3HZ LYS 20 9.109 7.803 1.312 153 H VAL 21 H VAL 21 13.294 1.318 -0.409 154 HA VAL 21 HA VAL 21 15.979 2.019 0.481 155 HB VAL 21 HB VAL 21 14.541 0.955 2.099 156 HG11 VAL 21 1HG1 VAL 21 14.275 -1.203 -0.008 157 HG12 VAL 21 2HG1 VAL 21 12.989 -0.200 0.663 158 HG13 VAL 21 3HG1 VAL 21 13.775 -1.415 1.670 159 HG21 VAL 21 1HG2 VAL 21 17.020 0.327 1.925 160 HG22 VAL 21 2HG2 VAL 21 16.483 -1.168 1.156 161 HG23 VAL 21 3HG2 VAL 21 15.996 -0.803 2.812 162 H MET 22 H MET 22 14.425 -0.017 -1.912 163 HA MET 22 HA MET 22 16.964 -1.359 -2.538 164 HB2 MET 22 2HB MET 22 14.166 -1.718 -3.647 165 HB3 MET 22 1HB MET 22 15.582 -2.630 -4.188 166 HG2 MET 22 2HG MET 22 15.819 -3.068 -1.546 167 HG3 MET 22 1HG MET 22 14.069 -2.816 -1.617 168 HE1 MET 22 1HE MET 22 16.487 -5.538 -1.404 169 HE2 MET 22 2HE MET 22 15.168 -6.703 -1.496 170 HE3 MET 22 3HE MET 22 14.989 -5.255 -0.508 171 HN1 NH2 23 HN1 NH2 23 16.415 1.604 -3.102 172 HN2 NH2 23 HN2 NH2 23 16.711 1.764 -4.766 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -16.290 -3.514 4.204 2 H2 GLY 1 2HT GLY 1 -17.600 -3.080 3.213 3 H3 GLY 1 3HT GLY 1 -16.594 -1.878 3.871 4 HA2 GLY 1 2HA GLY 1 -15.221 -3.873 2.283 5 HA3 GLY 1 1HA GLY 1 -16.344 -2.838 1.389 6 H VAL 2 H VAL 2 -16.077 -0.570 3.164 7 HA VAL 2 HA VAL 2 -14.127 0.925 1.937 8 HB VAL 2 HB VAL 2 -15.044 1.216 4.808 9 HG11 VAL 2 1HG1 VAL 2 -13.690 3.066 2.835 10 HG12 VAL 2 2HG1 VAL 2 -13.165 2.642 4.464 11 HG13 VAL 2 3HG1 VAL 2 -14.578 3.673 4.233 12 HG21 VAL 2 1HG2 VAL 2 -16.913 1.096 3.182 13 HG22 VAL 2 2HG2 VAL 2 -16.158 2.376 2.233 14 HG23 VAL 2 3HG2 VAL 2 -16.752 2.717 3.857 15 H VAL 3 H VAL 3 -13.757 -1.411 4.485 16 HA VAL 3 HA VAL 3 -11.202 -0.575 5.419 17 HB VAL 3 HB VAL 3 -12.464 -3.326 5.482 18 HG11 VAL 3 1HG1 VAL 3 -10.116 -2.068 6.915 19 HG12 VAL 3 2HG1 VAL 3 -10.136 -3.551 5.959 20 HG13 VAL 3 3HG1 VAL 3 -10.938 -3.502 7.529 21 HG21 VAL 3 1HG2 VAL 3 -13.354 -2.712 7.616 22 HG22 VAL 3 2HG2 VAL 3 -13.750 -1.377 6.534 23 HG23 VAL 3 3HG2 VAL 3 -12.402 -1.228 7.663 24 H ASP 4 H ASP 4 -12.157 -3.210 3.201 25 HA ASP 4 HA ASP 4 -9.556 -4.007 2.507 26 HB2 ASP 4 2HB ASP 4 -10.557 -5.190 0.686 27 HB3 ASP 4 1HB ASP 4 -11.700 -5.251 2.026 28 H ILE 5 H ILE 5 -11.586 -1.411 1.300 29 HA ILE 5 HA ILE 5 -10.096 -0.852 -1.048 30 HB ILE 5 HB ILE 5 -11.969 0.811 0.640 31 HG12 ILE 5 2HG1 ILE 5 -12.236 -0.247 -2.189 32 HG13 ILE 5 1HG1 ILE 5 -12.795 -1.140 -0.771 33 HG21 ILE 5 1HG2 ILE 5 -10.409 1.540 -1.846 34 HG22 ILE 5 2HG2 ILE 5 -10.537 2.444 -0.337 35 HG23 ILE 5 3HG2 ILE 5 -11.920 2.345 -1.425 36 HD11 ILE 5 1HD1 ILE 5 -13.662 1.713 -1.166 37 HD12 ILE 5 2HD1 ILE 5 -14.471 0.415 -0.289 38 HD13 ILE 5 3HD1 ILE 5 -14.473 0.421 -2.052 39 H LEU 6 H LEU 6 -9.882 0.354 2.288 40 HA LEU 6 HA LEU 6 -7.832 2.251 1.705 41 HB2 LEU 6 2HB LEU 6 -8.092 2.882 3.863 42 HB3 LEU 6 1HB LEU 6 -9.519 1.849 3.808 43 HG LEU 6 HG LEU 6 -7.952 -0.062 4.545 44 HD11 LEU 6 1HD1 LEU 6 -6.160 1.627 6.019 45 HD12 LEU 6 2HD1 LEU 6 -6.035 2.057 4.314 46 HD13 LEU 6 3HD1 LEU 6 -5.762 0.393 4.826 47 HD21 LEU 6 1HD2 LEU 6 -8.411 2.251 6.454 48 HD22 LEU 6 2HD2 LEU 6 -8.205 0.556 6.899 49 HD23 LEU 6 3HD2 LEU 6 -9.633 1.063 5.998 50 H LYS 7 H LYS 7 -7.870 -1.131 2.667 51 HA LYS 7 HA LYS 7 -5.156 -1.374 3.398 52 HB2 LYS 7 2HB LYS 7 -7.384 -3.167 2.786 53 HB3 LYS 7 1HB LYS 7 -5.853 -3.807 2.221 54 HG2 LYS 7 2HG LYS 7 -6.105 -4.589 4.463 55 HG3 LYS 7 1HG LYS 7 -4.904 -3.297 4.526 56 HD2 LYS 7 2HD LYS 7 -6.366 -1.798 5.536 57 HD3 LYS 7 1HD LYS 7 -7.790 -2.600 4.875 58 HE2 LYS 7 2HE LYS 7 -7.575 -4.433 6.428 59 HE3 LYS 7 1HE LYS 7 -6.003 -3.849 6.976 60 HZ1 LYS 7 1HZ LYS 7 -7.964 -1.817 7.206 61 HZ2 LYS 7 2HZ LYS 7 -6.981 -2.499 8.413 62 HZ3 LYS 7 3HZ LYS 7 -8.473 -3.213 8.025 63 H GLY 8 H GLY 8 -6.541 -0.536 0.488 64 HA2 GLY 8 2HA GLY 8 -4.877 -1.851 -1.393 65 HA3 GLY 8 1HA GLY 8 -5.762 -0.346 -1.671 66 H ALA 9 H ALA 9 -4.645 1.309 0.217 67 HA ALA 9 HA ALA 9 -2.139 1.977 -1.024 68 HB1 ALA 9 1HB ALA 9 -3.745 3.704 -0.266 69 HB2 ALA 9 2HB ALA 9 -2.156 3.907 0.473 70 HB3 ALA 9 3HB ALA 9 -3.477 3.197 1.403 71 H ALA 10 H ALA 10 -3.172 0.428 1.937 72 HA ALA 10 HA ALA 10 -0.955 0.642 3.558 73 HB1 ALA 10 1HB ALA 10 -3.027 -0.507 4.222 74 HB2 ALA 10 2HB ALA 10 -1.614 -1.518 4.521 75 HB3 ALA 10 3HB ALA 10 -2.644 -1.832 3.124 76 H LYS 11 H LYS 11 -1.496 -1.799 1.007 77 HA LYS 11 HA LYS 11 0.901 -3.199 1.311 78 HB2 LYS 11 2HB LYS 11 0.464 -4.159 -0.790 79 HB3 LYS 11 1HB LYS 11 -1.136 -3.733 -0.182 80 HG2 LYS 11 2HG LYS 11 -0.678 -1.452 -1.434 81 HG3 LYS 11 1HG LYS 11 0.480 -2.424 -2.351 82 HD2 LYS 11 2HD LYS 11 -2.473 -3.036 -2.006 83 HD3 LYS 11 1HD LYS 11 -1.711 -2.417 -3.471 84 HE2 LYS 11 2HE LYS 11 -1.791 -4.714 -3.906 85 HE3 LYS 11 1HE LYS 11 -0.168 -4.527 -3.241 86 HZ1 LYS 11 1HZ LYS 11 -1.980 -6.268 -2.326 87 HZ2 LYS 11 2HZ LYS 11 -2.257 -4.954 -1.285 88 HZ3 LYS 11 3HZ LYS 11 -0.709 -5.646 -1.391 89 H ASP 12 H ASP 12 0.237 -0.132 -0.234 90 HA ASP 12 HA ASP 12 2.687 0.068 -1.686 91 HB2 ASP 12 2HB ASP 12 0.405 1.398 -1.834 92 HB3 ASP 12 1HB ASP 12 1.221 2.486 -0.711 93 H ILE 13 H ILE 13 1.559 1.365 1.426 94 HA ILE 13 HA ILE 13 3.815 2.804 2.173 95 HB ILE 13 HB ILE 13 1.915 1.181 3.885 96 HG12 ILE 13 2HG1 ILE 13 2.070 4.166 3.359 97 HG13 ILE 13 1HG1 ILE 13 0.981 3.075 2.502 98 HG21 ILE 13 1HG2 ILE 13 2.762 2.787 5.689 99 HG22 ILE 13 2HG2 ILE 13 4.091 3.163 4.594 100 HG23 ILE 13 3HG2 ILE 13 3.885 1.519 5.199 101 HD11 ILE 13 1HD1 ILE 13 1.017 3.660 5.473 102 HD12 ILE 13 2HD1 ILE 13 0.065 2.365 4.747 103 HD13 ILE 13 3HD1 ILE 13 -0.265 4.046 4.325 104 H ALA 14 H ALA 14 3.286 -0.588 1.912 105 HA ALA 14 HA ALA 14 5.799 -1.203 3.337 106 HB1 ALA 14 1HB ALA 14 5.007 -3.564 3.177 107 HB2 ALA 14 2HB ALA 14 3.537 -2.979 2.400 108 HB3 ALA 14 3HB ALA 14 3.899 -2.515 4.062 109 H GLY 15 H GLY 15 4.400 -1.038 0.177 110 HA2 GLY 15 2HA GLY 15 6.596 -2.619 -0.995 111 HA3 GLY 15 1HA GLY 15 5.113 -2.135 -1.822 112 H HIS 16 H HIS 16 4.865 0.407 -1.808 113 HA HIS 16 HA HIS 16 6.744 1.475 -3.535 114 HB2 HIS 16 2HB HIS 16 4.630 2.542 -3.366 115 HB3 HIS 16 1HB HIS 16 4.803 2.770 -1.627 116 HD2 HIS 16 2HD HIS 16 5.333 5.417 -1.198 117 HE1 HIS 16 1HE HIS 16 7.825 6.113 -4.533 118 HE2 HIS 16 2HE HIS 16 6.797 7.171 -2.466 119 H LEU 17 H LEU 17 6.612 1.596 0.000 120 HA LEU 17 HA LEU 17 8.804 3.378 0.337 121 HB2 LEU 17 2HB LEU 17 7.385 1.382 2.089 122 HB3 LEU 17 1HB LEU 17 8.773 2.299 2.667 123 HG LEU 17 HG LEU 17 6.433 3.270 3.125 124 HD11 LEU 17 1HD1 LEU 17 8.733 4.482 3.140 125 HD12 LEU 17 2HD1 LEU 17 7.273 5.466 3.083 126 HD13 LEU 17 3HD1 LEU 17 8.202 5.182 1.611 127 HD21 LEU 17 1HD2 LEU 17 5.352 4.480 1.356 128 HD22 LEU 17 2HD2 LEU 17 5.634 2.845 0.763 129 HD23 LEU 17 3HD2 LEU 17 6.683 4.165 0.245 130 H ALA 18 H ALA 18 8.457 -0.138 0.278 131 HA ALA 18 HA ALA 18 11.172 -0.717 0.929 132 HB1 ALA 18 1HB ALA 18 10.627 -2.998 0.135 133 HB2 ALA 18 2HB ALA 18 9.090 -2.398 -0.488 134 HB3 ALA 18 3HB ALA 18 9.407 -2.377 1.247 135 H SER 19 H SER 19 9.489 0.025 -2.037 136 HA SER 19 HA SER 19 11.580 -0.911 -3.772 137 HB2 SER 19 2HB SER 19 9.085 -0.631 -4.343 138 HB3 SER 19 1HB SER 19 9.452 1.082 -4.522 139 HG SER 19 HG SER 19 10.253 -1.110 -6.050 140 H LYS 20 H LYS 20 10.664 2.134 -2.279 141 HA LYS 20 HA LYS 20 12.183 3.930 -3.746 142 HB2 LYS 20 2HB LYS 20 10.629 4.679 -2.055 143 HB3 LYS 20 1HB LYS 20 11.606 3.915 -0.800 144 HG2 LYS 20 2HG LYS 20 13.378 5.456 -1.063 145 HG3 LYS 20 1HG LYS 20 12.787 5.991 -2.637 146 HD2 LYS 20 2HD LYS 20 10.974 7.185 -1.671 147 HD3 LYS 20 1HD LYS 20 11.174 6.384 -0.111 148 HE2 LYS 20 2HE LYS 20 13.330 8.128 -1.316 149 HE3 LYS 20 1HE LYS 20 12.067 8.777 -0.269 150 HZ1 LYS 20 1HZ LYS 20 13.449 6.405 0.689 151 HZ2 LYS 20 2HZ LYS 20 12.919 7.775 1.542 152 HZ3 LYS 20 3HZ LYS 20 14.363 7.833 0.650 153 H VAL 21 H VAL 21 13.165 1.862 -1.043 154 HA VAL 21 HA VAL 21 15.854 2.874 -0.983 155 HB VAL 21 HB VAL 21 14.931 1.947 1.042 156 HG11 VAL 21 1HG1 VAL 21 14.505 -0.520 -0.659 157 HG12 VAL 21 2HG1 VAL 21 13.289 0.419 0.205 158 HG13 VAL 21 3HG1 VAL 21 14.452 -0.555 1.103 159 HG21 VAL 21 1HG2 VAL 21 16.909 -0.099 0.013 160 HG22 VAL 21 2HG2 VAL 21 16.717 0.489 1.665 161 HG23 VAL 21 3HG2 VAL 21 17.386 1.549 0.424 162 H MET 22 H MET 22 14.164 0.571 -2.884 163 HA MET 22 HA MET 22 16.620 -0.079 -4.317 164 HB2 MET 22 2HB MET 22 16.184 -2.509 -4.244 165 HB3 MET 22 1HB MET 22 16.530 -1.851 -2.638 166 HG2 MET 22 2HG MET 22 14.536 -2.602 -1.893 167 HG3 MET 22 1HG MET 22 13.717 -1.607 -3.104 168 HE1 MET 22 1HE MET 22 16.199 -4.778 -3.631 169 HE2 MET 22 2HE MET 22 14.961 -5.994 -3.323 170 HE3 MET 22 3HE MET 22 15.327 -4.787 -2.092 171 HN1 NH2 23 HN1 NH2 23 15.057 1.434 -5.686 172 HN2 NH2 23 HN2 NH2 23 13.972 0.611 -6.699 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -16.540 -4.712 1.509 2 H2 GLY 1 2HT GLY 1 -15.035 -5.415 1.859 3 H3 GLY 1 3HT GLY 1 -15.110 -3.896 1.101 4 HA2 GLY 1 2HA GLY 1 -16.579 -3.681 3.451 5 HA3 GLY 1 1HA GLY 1 -15.058 -4.489 3.852 6 H VAL 2 H VAL 2 -15.952 -1.756 4.500 7 HA VAL 2 HA VAL 2 -14.623 0.152 2.879 8 HB VAL 2 HB VAL 2 -15.325 0.278 5.822 9 HG11 VAL 2 1HG1 VAL 2 -13.721 1.998 5.321 10 HG12 VAL 2 2HG1 VAL 2 -15.306 2.769 5.326 11 HG13 VAL 2 3HG1 VAL 2 -14.519 2.381 3.797 12 HG21 VAL 2 1HG2 VAL 2 -16.815 1.354 3.410 13 HG22 VAL 2 2HG2 VAL 2 -17.360 1.370 5.086 14 HG23 VAL 2 3HG2 VAL 2 -17.224 -0.160 4.218 15 H VAL 3 H VAL 3 -13.535 -2.021 5.363 16 HA VAL 3 HA VAL 3 -11.122 -0.678 6.045 17 HB VAL 3 HB VAL 3 -11.643 -3.653 6.178 18 HG11 VAL 3 1HG1 VAL 3 -9.865 -1.750 7.733 19 HG12 VAL 3 2HG1 VAL 3 -9.335 -3.015 6.624 20 HG13 VAL 3 3HG1 VAL 3 -10.112 -3.445 8.149 21 HG21 VAL 3 1HG2 VAL 3 -12.521 -3.191 8.451 22 HG22 VAL 3 2HG2 VAL 3 -13.512 -2.422 7.212 23 HG23 VAL 3 3HG2 VAL 3 -12.370 -1.460 8.150 24 H ASP 4 H ASP 4 -11.734 -3.476 3.906 25 HA ASP 4 HA ASP 4 -9.150 -3.855 2.969 26 HB2 ASP 4 2HB ASP 4 -10.155 -4.946 1.039 27 HB3 ASP 4 1HB ASP 4 -11.062 -5.363 2.492 28 H ILE 5 H ILE 5 -11.550 -1.474 1.986 29 HA ILE 5 HA ILE 5 -10.366 -0.593 -0.394 30 HB ILE 5 HB ILE 5 -11.957 0.932 1.677 31 HG12 ILE 5 2HG1 ILE 5 -12.741 -0.218 -1.023 32 HG13 ILE 5 1HG1 ILE 5 -13.049 -1.019 0.519 33 HG21 ILE 5 1HG2 ILE 5 -12.369 2.482 -0.319 34 HG22 ILE 5 2HG2 ILE 5 -10.997 1.688 -1.092 35 HG23 ILE 5 3HG2 ILE 5 -10.768 2.578 0.414 36 HD11 ILE 5 1HD1 ILE 5 -15.028 0.104 0.450 37 HD12 ILE 5 2HD1 ILE 5 -14.426 1.283 -0.714 38 HD13 ILE 5 3HD1 ILE 5 -14.075 1.481 1.002 39 H LEU 6 H LEU 6 -9.686 0.248 2.976 40 HA LEU 6 HA LEU 6 -7.854 2.337 2.354 41 HB2 LEU 6 2HB LEU 6 -7.746 2.639 4.599 42 HB3 LEU 6 1HB LEU 6 -9.150 1.573 4.608 43 HG LEU 6 HG LEU 6 -7.429 -0.360 4.784 44 HD11 LEU 6 1HD1 LEU 6 -5.539 1.248 6.270 45 HD12 LEU 6 2HD1 LEU 6 -5.634 1.841 4.613 46 HD13 LEU 6 3HD1 LEU 6 -5.236 0.154 4.923 47 HD21 LEU 6 1HD2 LEU 6 -7.318 -0.073 7.248 48 HD22 LEU 6 2HD2 LEU 6 -8.918 0.311 6.613 49 HD23 LEU 6 3HD2 LEU 6 -7.812 1.610 7.059 50 H LYS 7 H LYS 7 -7.561 -1.136 2.840 51 HA LYS 7 HA LYS 7 -4.768 -1.302 3.101 52 HB2 LYS 7 2HB LYS 7 -6.979 -3.126 2.519 53 HB3 LYS 7 1HB LYS 7 -5.520 -3.567 1.657 54 HG2 LYS 7 2HG LYS 7 -5.409 -4.698 3.756 55 HG3 LYS 7 1HG LYS 7 -4.274 -3.351 3.866 56 HD2 LYS 7 2HD LYS 7 -5.669 -2.115 5.269 57 HD3 LYS 7 1HD LYS 7 -7.118 -2.950 4.713 58 HE2 LYS 7 2HE LYS 7 -6.674 -4.857 6.021 59 HE3 LYS 7 1HE LYS 7 -4.971 -4.442 6.212 60 HZ1 LYS 7 1HZ LYS 7 -6.244 -3.998 8.226 61 HZ2 LYS 7 2HZ LYS 7 -7.248 -2.927 7.370 62 HZ3 LYS 7 3HZ LYS 7 -5.600 -2.567 7.579 63 H GLY 8 H GLY 8 -6.654 -0.198 0.560 64 HA2 GLY 8 2HA GLY 8 -5.266 -1.065 -1.729 65 HA3 GLY 8 1HA GLY 8 -6.185 0.439 -1.603 66 H ALA 9 H ALA 9 -4.826 1.868 0.254 67 HA ALA 9 HA ALA 9 -2.504 2.720 -1.214 68 HB1 ALA 9 1HB ALA 9 -2.393 4.525 0.335 69 HB2 ALA 9 2HB ALA 9 -3.334 3.642 1.539 70 HB3 ALA 9 3HB ALA 9 -4.110 4.227 0.067 71 H ALA 10 H ALA 10 -3.133 0.836 1.672 72 HA ALA 10 HA ALA 10 -0.658 0.886 2.930 73 HB1 ALA 10 1HB ALA 10 -2.399 -1.567 2.627 74 HB2 ALA 10 2HB ALA 10 -2.740 -0.260 3.760 75 HB3 ALA 10 3HB ALA 10 -1.268 -1.214 3.932 76 H LYS 11 H LYS 11 -1.693 -0.886 0.067 77 HA LYS 11 HA LYS 11 0.435 -2.683 -0.167 78 HB2 LYS 11 2HB LYS 11 -1.537 -1.426 -2.022 79 HB3 LYS 11 1HB LYS 11 -0.163 -2.266 -2.726 80 HG2 LYS 11 2HG LYS 11 -0.797 -4.336 -1.859 81 HG3 LYS 11 1HG LYS 11 -1.725 -3.608 -0.540 82 HD2 LYS 11 2HD LYS 11 -3.423 -2.837 -2.141 83 HD3 LYS 11 1HD LYS 11 -2.497 -3.530 -3.474 84 HE2 LYS 11 2HE LYS 11 -2.659 -5.748 -2.076 85 HE3 LYS 11 1HE LYS 11 -4.020 -4.940 -1.299 86 HZ1 LYS 11 1HZ LYS 11 -3.762 -5.134 -4.240 87 HZ2 LYS 11 2HZ LYS 11 -5.142 -4.738 -3.331 88 HZ3 LYS 11 3HZ LYS 11 -4.541 -6.328 -3.320 89 H ASP 12 H ASP 12 0.098 0.679 -1.260 90 HA ASP 12 HA ASP 12 2.634 0.746 -2.596 91 HB2 ASP 12 2HB ASP 12 0.487 2.270 -2.803 92 HB3 ASP 12 1HB ASP 12 1.304 3.218 -1.560 93 H ILE 13 H ILE 13 1.425 1.971 0.514 94 HA ILE 13 HA ILE 13 3.780 3.138 1.458 95 HB ILE 13 HB ILE 13 1.597 1.695 2.986 96 HG12 ILE 13 2HG1 ILE 13 2.067 4.663 2.603 97 HG13 ILE 13 1HG1 ILE 13 0.994 3.722 1.569 98 HG21 ILE 13 1HG2 ILE 13 2.486 3.226 4.862 99 HG22 ILE 13 2HG2 ILE 13 3.937 3.388 3.872 100 HG23 ILE 13 3HG2 ILE 13 3.447 1.802 4.469 101 HD11 ILE 13 1HD1 ILE 13 -0.100 4.915 3.561 102 HD12 ILE 13 2HD1 ILE 13 0.715 3.726 4.578 103 HD13 ILE 13 3HD1 ILE 13 -0.464 3.199 3.376 104 H ALA 14 H ALA 14 2.847 -0.152 1.052 105 HA ALA 14 HA ALA 14 5.178 -1.116 2.590 106 HB1 ALA 14 1HB ALA 14 2.786 -2.606 1.487 107 HB2 ALA 14 2HB ALA 14 3.041 -2.147 3.170 108 HB3 ALA 14 3HB ALA 14 4.102 -3.333 2.408 109 H GLY 15 H GLY 15 3.963 -0.711 -0.620 110 HA2 GLY 15 2HA GLY 15 5.981 -2.549 -1.737 111 HA3 GLY 15 1HA GLY 15 4.616 -1.851 -2.615 112 H HIS 16 H HIS 16 4.709 0.696 -2.562 113 HA HIS 16 HA HIS 16 6.803 1.531 -4.164 114 HB2 HIS 16 2HB HIS 16 4.848 2.872 -4.086 115 HB3 HIS 16 1HB HIS 16 4.949 3.046 -2.334 116 HD2 HIS 16 2HD HIS 16 5.825 5.576 -1.793 117 HE1 HIS 16 1HE HIS 16 8.546 6.004 -4.992 118 HE2 HIS 16 2HE HIS 16 7.579 7.140 -2.937 119 H LEU 17 H LEU 17 6.498 1.623 -0.638 120 HA LEU 17 HA LEU 17 8.892 3.085 -0.158 121 HB2 LEU 17 2HB LEU 17 7.125 1.286 1.491 122 HB3 LEU 17 1HB LEU 17 8.595 1.998 2.151 123 HG LEU 17 HG LEU 17 6.356 3.261 2.490 124 HD11 LEU 17 1HD1 LEU 17 7.486 5.366 2.503 125 HD12 LEU 17 2HD1 LEU 17 8.593 4.857 1.232 126 HD13 LEU 17 3HD1 LEU 17 8.717 4.151 2.842 127 HD21 LEU 17 1HD2 LEU 17 5.640 4.703 0.694 128 HD22 LEU 17 2HD2 LEU 17 5.680 3.056 0.075 129 HD23 LEU 17 3HD2 LEU 17 6.974 4.182 -0.330 130 H ALA 18 H ALA 18 8.076 -0.351 -0.290 131 HA ALA 18 HA ALA 18 10.472 -1.449 0.608 132 HB1 ALA 18 1HB ALA 18 9.862 -3.443 -0.714 133 HB2 ALA 18 2HB ALA 18 8.635 -2.499 -1.558 134 HB3 ALA 18 3HB ALA 18 8.478 -2.802 0.172 135 H SER 19 H SER 19 9.749 0.147 -2.386 136 HA SER 19 HA SER 19 12.051 -0.869 -3.791 137 HB2 SER 19 2HB SER 19 9.813 -0.010 -4.789 138 HB3 SER 19 1HB SER 19 10.519 1.590 -4.581 139 HG SER 19 HG SER 19 11.865 1.190 -6.157 140 H LYS 20 H LYS 20 11.138 2.169 -2.200 141 HA LYS 20 HA LYS 20 13.353 3.715 -2.829 142 HB2 LYS 20 2HB LYS 20 11.231 4.364 -1.544 143 HB3 LYS 20 1HB LYS 20 12.089 3.773 -0.118 144 HG2 LYS 20 2HG LYS 20 14.023 5.295 -0.835 145 HG3 LYS 20 1HG LYS 20 12.879 6.041 -1.949 146 HD2 LYS 20 2HD LYS 20 12.333 5.758 1.016 147 HD3 LYS 20 1HD LYS 20 13.096 7.184 0.315 148 HE2 LYS 20 2HE LYS 20 10.340 6.100 -0.324 149 HE3 LYS 20 1HE LYS 20 10.721 7.616 0.488 150 HZ1 LYS 20 1HZ LYS 20 12.132 7.800 -1.802 151 HZ2 LYS 20 2HZ LYS 20 10.601 8.489 -1.544 152 HZ3 LYS 20 3HZ LYS 20 10.739 6.983 -2.319 153 H VAL 21 H VAL 21 12.944 1.369 -0.209 154 HA VAL 21 HA VAL 21 15.485 1.839 0.986 155 HB VAL 21 HB VAL 21 13.751 0.772 2.278 156 HG11 VAL 21 1HG1 VAL 21 12.994 -1.541 1.653 157 HG12 VAL 21 2HG1 VAL 21 13.852 -1.356 0.122 158 HG13 VAL 21 3HG1 VAL 21 12.494 -0.298 0.507 159 HG21 VAL 21 1HG2 VAL 21 15.781 -1.387 1.665 160 HG22 VAL 21 2HG2 VAL 21 15.000 -1.039 3.208 161 HG23 VAL 21 3HG2 VAL 21 16.202 0.075 2.556 162 H MET 22 H MET 22 14.510 0.216 -1.861 163 HA MET 22 HA MET 22 17.254 -0.611 -2.367 164 HB2 MET 22 2HB MET 22 16.638 -2.922 -2.944 165 HB3 MET 22 1HB MET 22 16.333 -2.579 -1.235 166 HG2 MET 22 2HG MET 22 14.162 -3.130 -1.510 167 HG3 MET 22 1HG MET 22 13.994 -1.837 -2.705 168 HE1 MET 22 1HE MET 22 12.396 -4.871 -2.782 169 HE2 MET 22 2HE MET 22 12.227 -4.638 -4.521 170 HE3 MET 22 3HE MET 22 12.122 -3.251 -3.439 171 HN1 NH2 23 HN1 NH2 23 16.284 1.384 -3.807 172 HN2 NH2 23 HN2 NH2 23 15.714 0.890 -5.327 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -15.702 -4.858 2.720 2 H2 GLY 1 2HT GLY 1 -16.263 -3.858 3.972 3 H3 GLY 1 3HT GLY 1 -14.624 -3.827 3.525 4 HA2 GLY 1 2HA GLY 1 -15.982 -3.288 1.199 5 HA3 GLY 1 1HA GLY 1 -16.813 -2.358 2.455 6 H VAL 2 H VAL 2 -15.891 -0.521 3.185 7 HA VAL 2 HA VAL 2 -13.832 0.765 1.860 8 HB VAL 2 HB VAL 2 -14.700 1.124 4.738 9 HG11 VAL 2 1HG1 VAL 2 -12.587 2.219 4.465 10 HG12 VAL 2 2HG1 VAL 2 -13.813 3.476 4.301 11 HG13 VAL 2 3HG1 VAL 2 -13.028 2.817 2.865 12 HG21 VAL 2 1HG2 VAL 2 -16.043 2.989 3.739 13 HG22 VAL 2 2HG2 VAL 2 -16.548 1.397 3.170 14 HG23 VAL 2 3HG2 VAL 2 -15.560 2.431 2.137 15 H VAL 3 H VAL 3 -13.664 -1.610 4.393 16 HA VAL 3 HA VAL 3 -11.095 -1.133 5.399 17 HB VAL 3 HB VAL 3 -12.565 -3.752 5.030 18 HG11 VAL 3 1HG1 VAL 3 -10.270 -4.299 5.370 19 HG12 VAL 3 2HG1 VAL 3 -11.019 -4.425 6.961 20 HG13 VAL 3 3HG1 VAL 3 -10.059 -3.004 6.548 21 HG21 VAL 3 1HG2 VAL 3 -12.379 -1.728 7.275 22 HG22 VAL 3 2HG2 VAL 3 -12.961 -3.374 7.523 23 HG23 VAL 3 3HG2 VAL 3 -13.831 -2.285 6.444 24 H ASP 4 H ASP 4 -12.088 -3.356 2.785 25 HA ASP 4 HA ASP 4 -9.436 -4.071 2.057 26 HB2 ASP 4 2HB ASP 4 -10.431 -5.102 0.118 27 HB3 ASP 4 1HB ASP 4 -11.492 -5.389 1.496 28 H ILE 5 H ILE 5 -11.562 -1.447 1.147 29 HA ILE 5 HA ILE 5 -10.160 -0.627 -1.187 30 HB ILE 5 HB ILE 5 -11.835 1.051 0.696 31 HG12 ILE 5 2HG1 ILE 5 -12.830 -1.134 -0.386 32 HG13 ILE 5 1HG1 ILE 5 -13.750 0.370 -0.468 33 HG21 ILE 5 1HG2 ILE 5 -10.815 1.425 -2.120 34 HG22 ILE 5 2HG2 ILE 5 -10.671 2.521 -0.746 35 HG23 ILE 5 3HG2 ILE 5 -12.234 2.292 -1.532 36 HD11 ILE 5 1HD1 ILE 5 -13.483 -1.006 -2.650 37 HD12 ILE 5 2HD1 ILE 5 -11.832 -0.390 -2.670 38 HD13 ILE 5 3HD1 ILE 5 -13.190 0.731 -2.732 39 H LEU 6 H LEU 6 -9.782 0.043 2.244 40 HA LEU 6 HA LEU 6 -7.836 2.131 1.817 41 HB2 LEU 6 2HB LEU 6 -8.308 2.622 3.952 42 HB3 LEU 6 1HB LEU 6 -9.454 1.282 3.957 43 HG LEU 6 HG LEU 6 -7.522 -0.238 4.589 44 HD11 LEU 6 1HD1 LEU 6 -5.422 0.586 4.554 45 HD12 LEU 6 2HD1 LEU 6 -5.861 1.763 5.790 46 HD13 LEU 6 3HD1 LEU 6 -6.037 2.169 4.084 47 HD21 LEU 6 1HD2 LEU 6 -9.036 0.387 6.316 48 HD22 LEU 6 2HD2 LEU 6 -8.416 2.037 6.367 49 HD23 LEU 6 3HD2 LEU 6 -7.430 0.706 6.972 50 H LYS 7 H LYS 7 -7.789 -1.317 2.588 51 HA LYS 7 HA LYS 7 -5.131 -1.646 3.296 52 HB2 LYS 7 2HB LYS 7 -7.274 -3.333 2.492 53 HB3 LYS 7 1HB LYS 7 -5.869 -3.775 1.545 54 HG2 LYS 7 2HG LYS 7 -5.757 -5.090 3.534 55 HG3 LYS 7 1HG LYS 7 -4.544 -3.820 3.707 56 HD2 LYS 7 2HD LYS 7 -5.562 -3.390 5.697 57 HD3 LYS 7 1HD LYS 7 -6.779 -2.589 4.703 58 HE2 LYS 7 2HE LYS 7 -8.033 -4.072 6.052 59 HE3 LYS 7 1HE LYS 7 -7.885 -4.916 4.511 60 HZ1 LYS 7 1HZ LYS 7 -6.681 -5.525 7.084 61 HZ2 LYS 7 2HZ LYS 7 -5.682 -5.750 5.728 62 HZ3 LYS 7 3HZ LYS 7 -7.167 -6.568 5.838 63 H GLY 8 H GLY 8 -6.387 -0.433 0.421 64 HA2 GLY 8 2HA GLY 8 -4.575 -1.352 -1.523 65 HA3 GLY 8 1HA GLY 8 -5.422 0.200 -1.574 66 H ALA 9 H ALA 9 -4.442 1.523 0.575 67 HA ALA 9 HA ALA 9 -1.807 2.268 -0.317 68 HB1 ALA 9 1HB ALA 9 -1.955 4.027 1.316 69 HB2 ALA 9 2HB ALA 9 -3.273 3.210 2.156 70 HB3 ALA 9 3HB ALA 9 -3.536 3.883 0.547 71 H ALA 10 H ALA 10 -3.170 0.393 2.311 72 HA ALA 10 HA ALA 10 -1.118 0.331 4.149 73 HB1 ALA 10 1HB ALA 10 -1.928 -1.897 4.779 74 HB2 ALA 10 2HB ALA 10 -2.821 -2.008 3.263 75 HB3 ALA 10 3HB ALA 10 -3.278 -0.805 4.468 76 H LYS 11 H LYS 11 -1.470 -1.786 1.294 77 HA LYS 11 HA LYS 11 1.014 -3.125 1.733 78 HB2 LYS 11 2HB LYS 11 0.603 -4.237 -0.308 79 HB3 LYS 11 1HB LYS 11 -0.999 -3.945 0.368 80 HG2 LYS 11 2HG LYS 11 -0.832 -1.696 -1.021 81 HG3 LYS 11 1HG LYS 11 0.352 -2.614 -1.961 82 HD2 LYS 11 2HD LYS 11 -2.493 -3.501 -1.375 83 HD3 LYS 11 1HD LYS 11 -1.928 -2.836 -2.907 84 HE2 LYS 11 2HE LYS 11 -0.967 -5.396 -1.597 85 HE3 LYS 11 1HE LYS 11 -1.950 -5.271 -3.056 86 HZ1 LYS 11 1HZ LYS 11 0.356 -5.611 -3.621 87 HZ2 LYS 11 2HZ LYS 11 0.819 -4.250 -2.716 88 HZ3 LYS 11 3HZ LYS 11 -0.128 -4.063 -4.114 89 H ASP 12 H ASP 12 0.063 -0.231 0.010 90 HA ASP 12 HA ASP 12 2.449 0.044 -1.537 91 HB2 ASP 12 2HB ASP 12 0.071 1.182 -1.714 92 HB3 ASP 12 1HB ASP 12 0.820 2.407 -0.690 93 H ILE 13 H ILE 13 1.308 1.487 1.503 94 HA ILE 13 HA ILE 13 3.449 3.153 2.074 95 HB ILE 13 HB ILE 13 1.720 1.500 3.929 96 HG12 ILE 13 2HG1 ILE 13 1.681 4.480 3.404 97 HG13 ILE 13 1HG1 ILE 13 0.732 3.348 2.440 98 HG21 ILE 13 1HG2 ILE 13 3.815 3.605 4.497 99 HG22 ILE 13 2HG2 ILE 13 3.679 1.991 5.194 100 HG23 ILE 13 3HG2 ILE 13 2.517 3.242 5.634 101 HD11 ILE 13 1HD1 ILE 13 -0.423 2.552 4.435 102 HD12 ILE 13 2HD1 ILE 13 -0.568 4.307 4.342 103 HD13 ILE 13 3HD1 ILE 13 0.584 3.575 5.459 104 H ALA 14 H ALA 14 3.214 -0.284 2.066 105 HA ALA 14 HA ALA 14 5.824 -0.573 3.418 106 HB1 ALA 14 1HB ALA 14 4.019 -1.953 4.313 107 HB2 ALA 14 2HB ALA 14 5.244 -2.969 3.553 108 HB3 ALA 14 3HB ALA 14 3.727 -2.639 2.715 109 H GLY 15 H GLY 15 4.287 -0.782 0.328 110 HA2 GLY 15 2HA GLY 15 6.553 -2.284 -0.817 111 HA3 GLY 15 1HA GLY 15 5.003 -1.983 -1.611 112 H HIS 16 H HIS 16 4.553 0.512 -1.811 113 HA HIS 16 HA HIS 16 6.281 1.574 -3.691 114 HB2 HIS 16 2HB HIS 16 4.113 2.500 -3.562 115 HB3 HIS 16 1HB HIS 16 4.275 2.847 -1.840 116 HD2 HIS 16 2HD HIS 16 4.565 5.559 -1.594 117 HE1 HIS 16 1HE HIS 16 7.020 6.239 -4.960 118 HE2 HIS 16 2HE HIS 16 5.890 7.341 -2.970 119 H LEU 17 H LEU 17 6.238 2.017 -0.175 120 HA LEU 17 HA LEU 17 8.272 3.995 -0.074 121 HB2 LEU 17 2HB LEU 17 7.115 2.031 1.892 122 HB3 LEU 17 1HB LEU 17 8.432 3.115 2.333 123 HG LEU 17 HG LEU 17 6.020 3.898 2.814 124 HD11 LEU 17 1HD1 LEU 17 8.171 5.316 2.700 125 HD12 LEU 17 2HD1 LEU 17 6.637 6.166 2.538 126 HD13 LEU 17 3HD1 LEU 17 7.604 5.817 1.108 127 HD21 LEU 17 1HD2 LEU 17 4.787 4.883 1.000 128 HD22 LEU 17 2HD2 LEU 17 5.182 3.233 0.527 129 HD23 LEU 17 3HD2 LEU 17 6.102 4.585 -0.134 130 H ALA 18 H ALA 18 8.264 0.471 0.150 131 HA ALA 18 HA ALA 18 11.002 0.140 0.780 132 HB1 ALA 18 1HB ALA 18 9.161 -1.744 -0.714 133 HB2 ALA 18 2HB ALA 18 9.318 -1.649 1.040 134 HB3 ALA 18 3HB ALA 18 10.686 -2.179 0.060 135 H SER 19 H SER 19 9.294 0.634 -2.235 136 HA SER 19 HA SER 19 11.059 -0.240 -4.141 137 HB2 SER 19 2HB SER 19 8.817 1.046 -4.394 138 HB3 SER 19 1HB SER 19 9.826 2.490 -4.386 139 HG SER 19 HG SER 19 10.219 0.246 -6.083 140 H LYS 20 H LYS 20 11.459 2.416 -1.926 141 HA LYS 20 HA LYS 20 13.448 3.884 -3.230 142 HB2 LYS 20 2HB LYS 20 12.405 4.776 -1.268 143 HB3 LYS 20 1HB LYS 20 12.968 3.408 -0.307 144 HG2 LYS 20 2HG LYS 20 15.223 4.110 -0.398 145 HG3 LYS 20 1HG LYS 20 14.917 5.199 -1.751 146 HD2 LYS 20 2HD LYS 20 13.449 5.673 0.823 147 HD3 LYS 20 1HD LYS 20 15.145 6.143 0.724 148 HE2 LYS 20 2HE LYS 20 14.720 7.592 -1.148 149 HE3 LYS 20 1HE LYS 20 13.077 6.977 -1.324 150 HZ1 LYS 20 1HZ LYS 20 13.523 9.191 -0.064 151 HZ2 LYS 20 2HZ LYS 20 13.891 8.160 1.236 152 HZ3 LYS 20 3HZ LYS 20 12.355 8.105 0.513 153 H VAL 21 H VAL 21 13.778 1.214 -0.902 154 HA VAL 21 HA VAL 21 16.641 1.078 -1.283 155 HB VAL 21 HB VAL 21 15.791 0.510 0.893 156 HG11 VAL 21 1HG1 VAL 21 14.317 -1.599 1.061 157 HG12 VAL 21 2HG1 VAL 21 14.014 -1.373 -0.661 158 HG13 VAL 21 3HG1 VAL 21 13.544 -0.121 0.488 159 HG21 VAL 21 1HG2 VAL 21 17.665 -0.904 -0.223 160 HG22 VAL 21 2HG2 VAL 21 16.441 -2.169 -0.340 161 HG23 VAL 21 3HG2 VAL 21 16.912 -1.541 1.239 162 H MET 22 H MET 22 14.007 0.052 -3.058 163 HA MET 22 HA MET 22 15.668 -1.624 -4.733 164 HB2 MET 22 2HB MET 22 14.088 -3.556 -4.648 165 HB3 MET 22 1HB MET 22 14.973 -3.301 -3.137 166 HG2 MET 22 2HG MET 22 13.037 -3.018 -2.012 167 HG3 MET 22 1HG MET 22 12.577 -1.704 -3.102 168 HE1 MET 22 1HE MET 22 13.109 -5.554 -3.091 169 HE2 MET 22 2HE MET 22 11.454 -6.129 -3.268 170 HE3 MET 22 3HE MET 22 11.901 -5.177 -1.855 171 HN1 NH2 23 HN1 NH2 23 14.906 0.477 -5.934 172 HN2 NH2 23 HN2 NH2 23 13.441 0.352 -6.784 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -16.590 -2.711 3.270 2 H2 GLY 1 2HT GLY 1 -14.938 -2.968 2.966 3 H3 GLY 1 3HT GLY 1 -16.097 -4.045 2.347 4 HA2 GLY 1 2HA GLY 1 -15.906 -2.872 0.466 5 HA3 GLY 1 1HA GLY 1 -16.954 -1.722 1.312 6 H VAL 2 H VAL 2 -16.200 0.289 1.597 7 HA VAL 2 HA VAL 2 -13.899 1.292 0.477 8 HB VAL 2 HB VAL 2 -15.118 2.391 3.014 9 HG11 VAL 2 1HG1 VAL 2 -14.356 4.517 2.154 10 HG12 VAL 2 2HG1 VAL 2 -13.887 3.785 0.621 11 HG13 VAL 2 3HG1 VAL 2 -12.994 3.400 2.090 12 HG21 VAL 2 1HG2 VAL 2 -16.979 1.997 1.570 13 HG22 VAL 2 2HG2 VAL 2 -16.068 2.492 0.142 14 HG23 VAL 2 3HG2 VAL 2 -16.558 3.693 1.338 15 H VAL 3 H VAL 3 -14.269 -0.384 3.498 16 HA VAL 3 HA VAL 3 -11.891 0.445 4.777 17 HB VAL 3 HB VAL 3 -13.127 -2.293 5.050 18 HG11 VAL 3 1HG1 VAL 3 -10.983 -1.699 6.245 19 HG12 VAL 3 2HG1 VAL 3 -12.314 -2.127 7.319 20 HG13 VAL 3 3HG1 VAL 3 -11.874 -0.435 7.091 21 HG21 VAL 3 1HG2 VAL 3 -14.538 -1.122 6.848 22 HG22 VAL 3 2HG2 VAL 3 -15.010 -0.832 5.173 23 HG23 VAL 3 3HG2 VAL 3 -14.095 0.391 6.057 24 H ASP 4 H ASP 4 -12.566 -2.496 2.860 25 HA ASP 4 HA ASP 4 -9.996 -3.573 2.892 26 HB2 ASP 4 2HB ASP 4 -10.650 -4.858 0.964 27 HB3 ASP 4 1HB ASP 4 -12.061 -4.695 2.006 28 H ILE 5 H ILE 5 -11.367 -1.037 0.870 29 HA ILE 5 HA ILE 5 -9.335 -0.873 -1.059 30 HB ILE 5 HB ILE 5 -10.899 1.461 0.058 31 HG12 ILE 5 2HG1 ILE 5 -11.675 -0.650 -1.980 32 HG13 ILE 5 1HG1 ILE 5 -12.477 -0.315 -0.442 33 HG21 ILE 5 1HG2 ILE 5 -10.553 2.430 -2.115 34 HG22 ILE 5 2HG2 ILE 5 -9.905 0.919 -2.752 35 HG23 ILE 5 3HG2 ILE 5 -8.982 1.847 -1.571 36 HD11 ILE 5 1HD1 ILE 5 -12.768 2.098 -1.399 37 HD12 ILE 5 2HD1 ILE 5 -13.833 0.821 -1.986 38 HD13 ILE 5 3HD1 ILE 5 -12.457 1.338 -2.959 39 H LEU 6 H LEU 6 -9.477 0.203 2.257 40 HA LEU 6 HA LEU 6 -7.197 1.947 2.057 41 HB2 LEU 6 2HB LEU 6 -7.916 2.652 4.060 42 HB3 LEU 6 1HB LEU 6 -9.240 1.495 3.935 43 HG LEU 6 HG LEU 6 -7.692 -0.234 4.959 44 HD11 LEU 6 1HD1 LEU 6 -5.510 0.272 5.238 45 HD12 LEU 6 2HD1 LEU 6 -5.952 1.591 6.320 46 HD13 LEU 6 3HD1 LEU 6 -5.789 1.887 4.590 47 HD21 LEU 6 1HD2 LEU 6 -8.291 2.263 6.574 48 HD22 LEU 6 2HD2 LEU 6 -7.968 0.666 7.248 49 HD23 LEU 6 3HD2 LEU 6 -9.410 0.936 6.271 50 H LYS 7 H LYS 7 -7.768 -1.403 3.065 51 HA LYS 7 HA LYS 7 -5.275 -1.993 4.135 52 HB2 LYS 7 2HB LYS 7 -7.009 -3.796 2.432 53 HB3 LYS 7 1HB LYS 7 -5.818 -4.286 3.625 54 HG2 LYS 7 2HG LYS 7 -8.294 -2.665 4.242 55 HG3 LYS 7 1HG LYS 7 -8.129 -4.398 4.527 56 HD2 LYS 7 2HD LYS 7 -5.994 -3.720 5.880 57 HD3 LYS 7 1HD LYS 7 -6.729 -2.117 5.904 58 HE2 LYS 7 2HE LYS 7 -7.716 -4.668 7.143 59 HE3 LYS 7 1HE LYS 7 -7.608 -3.057 7.852 60 HZ1 LYS 7 1HZ LYS 7 -9.817 -3.121 7.427 61 HZ2 LYS 7 2HZ LYS 7 -9.664 -4.198 6.122 62 HZ3 LYS 7 3HZ LYS 7 -9.305 -2.550 5.915 63 H GLY 8 H GLY 8 -6.099 -0.987 1.048 64 HA2 GLY 8 2HA GLY 8 -4.141 -2.421 -0.479 65 HA3 GLY 8 1HA GLY 8 -5.026 -0.983 -0.998 66 H ALA 9 H ALA 9 -4.258 0.654 1.233 67 HA ALA 9 HA ALA 9 -1.736 1.608 0.255 68 HB1 ALA 9 1HB ALA 9 -1.989 3.372 1.892 69 HB2 ALA 9 2HB ALA 9 -3.231 2.457 2.746 70 HB3 ALA 9 3HB ALA 9 -3.555 3.089 1.132 71 H ALA 10 H ALA 10 -2.824 -0.311 2.979 72 HA ALA 10 HA ALA 10 -0.574 -0.140 4.637 73 HB1 ALA 10 1HB ALA 10 -2.420 -2.494 4.161 74 HB2 ALA 10 2HB ALA 10 -2.646 -1.217 5.358 75 HB3 ALA 10 3HB ALA 10 -1.296 -2.342 5.513 76 H LYS 11 H LYS 11 -1.217 -2.171 1.817 77 HA LYS 11 HA LYS 11 1.242 -3.656 2.075 78 HB2 LYS 11 2HB LYS 11 -0.300 -4.946 0.957 79 HB3 LYS 11 1HB LYS 11 -1.060 -3.563 0.179 80 HG2 LYS 11 2HG LYS 11 1.744 -4.382 -0.580 81 HG3 LYS 11 1HG LYS 11 0.352 -5.222 -1.270 82 HD2 LYS 11 2HD LYS 11 -0.091 -2.358 -1.408 83 HD3 LYS 11 1HD LYS 11 1.468 -2.752 -2.130 84 HE2 LYS 11 2HE LYS 11 -1.197 -4.017 -2.833 85 HE3 LYS 11 1HE LYS 11 -0.280 -2.887 -3.832 86 HZ1 LYS 11 1HZ LYS 11 0.072 -5.704 -3.485 87 HZ2 LYS 11 2HZ LYS 11 1.513 -4.844 -3.221 88 HZ3 LYS 11 3HZ LYS 11 0.679 -4.680 -4.694 89 H ASP 12 H ASP 12 0.138 -0.783 0.395 90 HA ASP 12 HA ASP 12 2.386 -0.570 -1.370 91 HB2 ASP 12 2HB ASP 12 -0.031 0.528 -1.391 92 HB3 ASP 12 1HB ASP 12 0.805 1.822 -0.532 93 H ILE 13 H ILE 13 1.446 1.015 1.669 94 HA ILE 13 HA ILE 13 3.609 2.730 1.985 95 HB ILE 13 HB ILE 13 1.987 1.209 4.038 96 HG12 ILE 13 2HG1 ILE 13 1.962 4.158 3.361 97 HG13 ILE 13 1HG1 ILE 13 0.949 2.998 2.503 98 HG21 ILE 13 1HG2 ILE 13 2.910 3.036 5.592 99 HG22 ILE 13 2HG2 ILE 13 4.149 3.298 4.364 100 HG23 ILE 13 3HG2 ILE 13 4.018 1.731 5.165 101 HD11 ILE 13 1HD1 ILE 13 -0.224 4.081 4.432 102 HD12 ILE 13 2HD1 ILE 13 0.961 3.349 5.514 103 HD13 ILE 13 3HD1 ILE 13 -0.130 2.327 4.577 104 H ALA 14 H ALA 14 3.392 -0.701 2.224 105 HA ALA 14 HA ALA 14 6.083 -0.892 3.424 106 HB1 ALA 14 1HB ALA 14 5.510 -3.314 3.673 107 HB2 ALA 14 2HB ALA 14 3.910 -2.955 3.023 108 HB3 ALA 14 3HB ALA 14 4.424 -2.236 4.548 109 H GLY 15 H GLY 15 4.359 -1.307 0.456 110 HA2 GLY 15 2HA GLY 15 6.568 -2.859 -0.734 111 HA3 GLY 15 1HA GLY 15 4.966 -2.631 -1.440 112 H HIS 16 H HIS 16 4.467 -0.145 -1.749 113 HA HIS 16 HA HIS 16 6.039 0.809 -3.816 114 HB2 HIS 16 2HB HIS 16 3.877 1.733 -3.576 115 HB3 HIS 16 1HB HIS 16 4.170 2.185 -1.897 116 HD2 HIS 16 2HD HIS 16 4.453 4.911 -1.843 117 HE1 HIS 16 1HE HIS 16 6.646 5.384 -5.420 118 HE2 HIS 16 2HE HIS 16 5.659 6.606 -3.423 119 H LEU 17 H LEU 17 6.261 1.453 -0.341 120 HA LEU 17 HA LEU 17 8.285 3.442 -0.515 121 HB2 LEU 17 2HB LEU 17 7.276 1.613 1.653 122 HB3 LEU 17 1HB LEU 17 8.612 2.729 1.927 123 HG LEU 17 HG LEU 17 6.228 3.532 2.517 124 HD11 LEU 17 1HD1 LEU 17 7.693 5.337 0.591 125 HD12 LEU 17 2HD1 LEU 17 8.353 4.950 2.180 126 HD13 LEU 17 3HD1 LEU 17 6.805 5.782 2.047 127 HD21 LEU 17 1HD2 LEU 17 4.875 4.398 0.725 128 HD22 LEU 17 2HD2 LEU 17 5.245 2.720 0.339 129 HD23 LEU 17 3HD2 LEU 17 6.115 4.025 -0.469 130 H ALA 18 H ALA 18 8.304 -0.061 -0.054 131 HA ALA 18 HA ALA 18 11.028 -0.424 0.477 132 HB1 ALA 18 1HB ALA 18 9.394 -2.226 0.727 133 HB2 ALA 18 2HB ALA 18 10.693 -2.728 -0.355 134 HB3 ALA 18 3HB ALA 18 9.130 -2.249 -1.016 135 H SER 19 H SER 19 9.362 0.266 -2.503 136 HA SER 19 HA SER 19 11.505 -0.510 -4.238 137 HB2 SER 19 2HB SER 19 8.988 -0.231 -4.798 138 HB3 SER 19 1HB SER 19 9.373 1.480 -4.962 139 HG SER 19 HG SER 19 10.891 -0.538 -6.234 140 H LYS 20 H LYS 20 10.536 2.427 -2.583 141 HA LYS 20 HA LYS 20 12.029 4.323 -3.970 142 HB2 LYS 20 2HB LYS 20 10.366 4.673 -2.057 143 HB3 LYS 20 1HB LYS 20 11.736 4.349 -0.992 144 HG2 LYS 20 2HG LYS 20 12.958 6.147 -2.474 145 HG3 LYS 20 1HG LYS 20 11.316 6.646 -2.881 146 HD2 LYS 20 2HD LYS 20 12.436 6.404 -0.072 147 HD3 LYS 20 1HD LYS 20 12.170 7.914 -0.942 148 HE2 LYS 20 2HE LYS 20 9.742 7.306 -1.132 149 HE3 LYS 20 1HE LYS 20 10.057 5.911 -0.100 150 HZ1 LYS 20 1HZ LYS 20 10.665 7.296 1.682 151 HZ2 LYS 20 2HZ LYS 20 9.241 7.974 1.051 152 HZ3 LYS 20 3HZ LYS 20 10.747 8.678 0.701 153 H VAL 21 H VAL 21 12.992 2.265 -1.243 154 HA VAL 21 HA VAL 21 15.664 3.275 -1.135 155 HB VAL 21 HB VAL 21 14.710 2.274 0.843 156 HG11 VAL 21 1HG1 VAL 21 14.250 -0.222 0.829 157 HG12 VAL 21 2HG1 VAL 21 14.380 -0.161 -0.928 158 HG13 VAL 21 3HG1 VAL 21 13.113 0.749 -0.105 159 HG21 VAL 21 1HG2 VAL 21 16.745 0.294 -0.206 160 HG22 VAL 21 2HG2 VAL 21 16.502 0.817 1.461 161 HG23 VAL 21 3HG2 VAL 21 17.185 1.933 0.276 162 H MET 22 H MET 22 14.062 1.096 -3.210 163 HA MET 22 HA MET 22 16.554 0.502 -4.577 164 HB2 MET 22 2HB MET 22 16.188 -1.936 -4.582 165 HB3 MET 22 1HB MET 22 16.468 -1.319 -2.948 166 HG2 MET 22 2HG MET 22 14.456 -2.087 -2.273 167 HG3 MET 22 1HG MET 22 13.653 -1.165 -3.549 168 HE1 MET 22 1HE MET 22 11.750 -3.120 -3.756 169 HE2 MET 22 2HE MET 22 12.625 -3.703 -2.343 170 HE3 MET 22 3HE MET 22 12.222 -4.821 -3.644 171 HN1 NH2 23 HN1 NH2 23 14.991 2.019 -5.935 172 HN2 NH2 23 HN2 NH2 23 13.947 1.204 -6.996 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -15.349 -3.249 3.220 2 H2 GLY 1 2HT GLY 1 -16.653 -4.257 2.807 3 H3 GLY 1 3HT GLY 1 -16.941 -2.710 3.448 4 HA2 GLY 1 2HA GLY 1 -16.166 -3.499 0.742 5 HA3 GLY 1 1HA GLY 1 -17.272 -2.223 1.272 6 H VAL 2 H VAL 2 -16.396 -0.238 2.050 7 HA VAL 2 HA VAL 2 -14.142 0.695 0.619 8 HB VAL 2 HB VAL 2 -15.604 1.890 2.984 9 HG11 VAL 2 1HG1 VAL 2 -13.495 2.980 2.913 10 HG12 VAL 2 2HG1 VAL 2 -14.572 4.035 1.997 11 HG13 VAL 2 3HG1 VAL 2 -13.456 2.963 1.150 12 HG21 VAL 2 1HG2 VAL 2 -16.531 3.347 1.096 13 HG22 VAL 2 2HG2 VAL 2 -17.093 1.676 1.123 14 HG23 VAL 2 3HG2 VAL 2 -15.845 2.168 -0.020 15 H VAL 3 H VAL 3 -14.514 -0.739 3.763 16 HA VAL 3 HA VAL 3 -12.220 0.171 5.067 17 HB VAL 3 HB VAL 3 -13.418 -2.604 5.217 18 HG11 VAL 3 1HG1 VAL 3 -11.617 -0.979 7.024 19 HG12 VAL 3 2HG1 VAL 3 -11.315 -2.580 6.349 20 HG13 VAL 3 3HG1 VAL 3 -12.534 -2.368 7.606 21 HG21 VAL 3 1HG2 VAL 3 -14.067 -0.083 6.779 22 HG22 VAL 3 2HG2 VAL 3 -14.774 -1.675 7.052 23 HG23 VAL 3 3HG2 VAL 3 -15.100 -0.812 5.549 24 H ASP 4 H ASP 4 -12.601 -2.775 3.083 25 HA ASP 4 HA ASP 4 -9.897 -3.559 3.175 26 HB2 ASP 4 2HB ASP 4 -10.429 -5.027 1.330 27 HB3 ASP 4 1HB ASP 4 -11.795 -5.008 2.442 28 H ILE 5 H ILE 5 -11.634 -1.382 1.005 29 HA ILE 5 HA ILE 5 -9.687 -1.109 -0.989 30 HB ILE 5 HB ILE 5 -11.625 0.964 0.069 31 HG12 ILE 5 2HG1 ILE 5 -11.810 -0.940 -2.292 32 HG13 ILE 5 1HG1 ILE 5 -12.643 -1.167 -0.752 33 HG21 ILE 5 1HG2 ILE 5 -9.975 0.815 -2.472 34 HG22 ILE 5 2HG2 ILE 5 -9.890 2.055 -1.220 35 HG23 ILE 5 3HG2 ILE 5 -11.319 1.932 -2.244 36 HD11 ILE 5 1HD1 ILE 5 -13.312 0.610 -2.994 37 HD12 ILE 5 2HD1 ILE 5 -13.337 1.427 -1.433 38 HD13 ILE 5 3HD1 ILE 5 -14.340 0.002 -1.698 39 H LEU 6 H LEU 6 -9.865 0.208 2.244 40 HA LEU 6 HA LEU 6 -7.802 2.166 1.830 41 HB2 LEU 6 2HB LEU 6 -8.452 2.934 3.843 42 HB3 LEU 6 1HB LEU 6 -9.763 1.761 3.736 43 HG LEU 6 HG LEU 6 -8.173 0.084 4.831 44 HD11 LEU 6 1HD1 LEU 6 -6.365 2.300 4.527 45 HD12 LEU 6 2HD1 LEU 6 -6.035 0.707 5.201 46 HD13 LEU 6 3HD1 LEU 6 -6.595 2.006 6.250 47 HD21 LEU 6 1HD2 LEU 6 -10.019 1.212 6.024 48 HD22 LEU 6 2HD2 LEU 6 -8.951 2.567 6.391 49 HD23 LEU 6 3HD2 LEU 6 -8.627 0.977 7.082 50 H LYS 7 H LYS 7 -7.962 -1.138 3.094 51 HA LYS 7 HA LYS 7 -5.375 -1.314 4.137 52 HB2 LYS 7 2HB LYS 7 -6.956 -3.500 2.768 53 HB3 LYS 7 1HB LYS 7 -5.695 -3.689 3.974 54 HG2 LYS 7 2HG LYS 7 -8.313 -2.258 4.459 55 HG3 LYS 7 1HG LYS 7 -7.977 -3.918 4.947 56 HD2 LYS 7 2HD LYS 7 -5.904 -2.905 6.155 57 HD3 LYS 7 1HD LYS 7 -6.749 -1.367 5.981 58 HE2 LYS 7 2HE LYS 7 -8.717 -2.320 7.132 59 HE3 LYS 7 1HE LYS 7 -7.862 -3.851 7.319 60 HZ1 LYS 7 1HZ LYS 7 -7.662 -2.555 9.318 61 HZ2 LYS 7 2HZ LYS 7 -7.049 -1.228 8.451 62 HZ3 LYS 7 3HZ LYS 7 -6.142 -2.660 8.572 63 H GLY 8 H GLY 8 -6.364 -0.701 1.021 64 HA2 GLY 8 2HA GLY 8 -4.500 -2.201 -0.511 65 HA3 GLY 8 1HA GLY 8 -5.343 -0.745 -1.045 66 H ALA 9 H ALA 9 -4.451 1.118 0.769 67 HA ALA 9 HA ALA 9 -1.811 1.664 -0.238 68 HB1 ALA 9 1HB ALA 9 -3.636 3.382 0.230 69 HB2 ALA 9 2HB ALA 9 -2.024 3.779 0.826 70 HB3 ALA 9 3HB ALA 9 -3.252 3.178 1.940 71 H ALA 10 H ALA 10 -3.185 0.478 2.762 72 HA ALA 10 HA ALA 10 -1.148 0.906 4.571 73 HB1 ALA 10 1HB ALA 10 -3.367 -0.200 5.022 74 HB2 ALA 10 2HB ALA 10 -1.989 -0.978 5.799 75 HB3 ALA 10 3HB ALA 10 -2.694 -1.682 4.344 76 H LYS 11 H LYS 11 -1.462 -1.867 2.344 77 HA LYS 11 HA LYS 11 1.121 -2.918 3.076 78 HB2 LYS 11 2HB LYS 11 0.705 -4.537 1.255 79 HB3 LYS 11 1HB LYS 11 -0.665 -4.425 2.360 80 HG2 LYS 11 2HG LYS 11 -1.544 -2.609 0.693 81 HG3 LYS 11 1HG LYS 11 -0.406 -3.348 -0.441 82 HD2 LYS 11 2HD LYS 11 -2.593 -4.815 1.066 83 HD3 LYS 11 1HD LYS 11 -2.651 -4.364 -0.637 84 HE2 LYS 11 2HE LYS 11 -0.519 -5.700 -0.957 85 HE3 LYS 11 1HE LYS 11 -0.739 -6.303 0.686 86 HZ1 LYS 11 1HZ LYS 11 -1.699 -7.820 -0.906 87 HZ2 LYS 11 2HZ LYS 11 -2.669 -6.585 -1.554 88 HZ3 LYS 11 3HZ LYS 11 -2.927 -7.126 0.036 89 H ASP 12 H ASP 12 -0.158 -0.834 0.567 90 HA ASP 12 HA ASP 12 2.008 -0.994 -1.246 91 HB2 ASP 12 2HB ASP 12 -0.376 0.084 -1.437 92 HB3 ASP 12 1HB ASP 12 0.448 1.535 -0.865 93 H ILE 13 H ILE 13 1.292 1.274 1.398 94 HA ILE 13 HA ILE 13 3.478 2.968 1.149 95 HB ILE 13 HB ILE 13 2.051 1.973 3.627 96 HG12 ILE 13 2HG1 ILE 13 1.931 4.684 2.290 97 HG13 ILE 13 1HG1 ILE 13 0.850 3.367 1.834 98 HG21 ILE 13 1HG2 ILE 13 4.202 4.069 3.273 99 HG22 ILE 13 2HG2 ILE 13 4.178 2.719 4.407 100 HG23 ILE 13 3HG2 ILE 13 3.089 4.087 4.641 101 HD11 ILE 13 1HD1 ILE 13 -0.123 4.906 3.565 102 HD12 ILE 13 2HD1 ILE 13 1.158 4.400 4.667 103 HD13 ILE 13 3HD1 ILE 13 -0.026 3.225 4.091 104 H ALA 14 H ALA 14 3.258 -0.316 2.180 105 HA ALA 14 HA ALA 14 6.039 -0.314 3.167 106 HB1 ALA 14 1HB ALA 14 5.536 -2.518 4.065 107 HB2 ALA 14 2HB ALA 14 3.969 -2.522 3.257 108 HB3 ALA 14 3HB ALA 14 4.283 -1.384 4.568 109 H GLY 15 H GLY 15 4.066 -1.282 0.502 110 HA2 GLY 15 2HA GLY 15 5.946 -3.226 -0.553 111 HA3 GLY 15 1HA GLY 15 4.484 -2.633 -1.353 112 H HIS 16 H HIS 16 4.659 -0.127 -1.767 113 HA HIS 16 HA HIS 16 6.513 0.326 -3.782 114 HB2 HIS 16 2HB HIS 16 4.568 1.744 -3.572 115 HB3 HIS 16 1HB HIS 16 5.082 2.287 -1.974 116 HD2 HIS 16 2HD HIS 16 7.173 4.213 -1.981 117 HE1 HIS 16 1HE HIS 16 7.306 4.697 -6.174 118 HE2 HIS 16 2HE HIS 16 8.134 5.624 -3.958 119 H LEU 17 H LEU 17 6.737 0.728 -0.321 120 HA LEU 17 HA LEU 17 8.957 2.360 -0.045 121 HB2 LEU 17 2HB LEU 17 8.497 1.870 2.107 122 HB3 LEU 17 1HB LEU 17 7.399 0.598 1.569 123 HG LEU 17 HG LEU 17 9.362 -0.937 1.382 124 HD11 LEU 17 1HD1 LEU 17 11.126 0.499 3.150 125 HD12 LEU 17 2HD1 LEU 17 10.785 1.515 1.753 126 HD13 LEU 17 3HD1 LEU 17 11.457 -0.099 1.527 127 HD21 LEU 17 1HD2 LEU 17 9.746 -0.956 3.977 128 HD22 LEU 17 2HD2 LEU 17 8.127 -1.260 3.349 129 HD23 LEU 17 3HD2 LEU 17 8.540 0.332 3.989 130 H ALA 18 H ALA 18 8.734 -1.021 -0.961 131 HA ALA 18 HA ALA 18 11.423 -1.767 -0.701 132 HB1 ALA 18 1HB ALA 18 10.917 -3.572 -2.193 133 HB2 ALA 18 2HB ALA 18 9.557 -2.694 -2.890 134 HB3 ALA 18 3HB ALA 18 9.469 -3.280 -1.230 135 H SER 19 H SER 19 9.914 0.388 -2.913 136 HA SER 19 HA SER 19 12.012 0.202 -4.904 137 HB2 SER 19 2HB SER 19 9.483 0.745 -5.281 138 HB3 SER 19 1HB SER 19 9.954 2.381 -4.829 139 HG SER 19 HG SER 19 11.716 1.270 -6.562 140 H LYS 20 H LYS 20 10.913 2.471 -2.414 141 HA LYS 20 HA LYS 20 12.559 4.629 -2.921 142 HB2 LYS 20 2HB LYS 20 10.761 4.356 -1.119 143 HB3 LYS 20 1HB LYS 20 12.047 3.647 -0.142 144 HG2 LYS 20 2HG LYS 20 13.396 5.671 -0.368 145 HG3 LYS 20 1HG LYS 20 12.184 6.385 -1.430 146 HD2 LYS 20 2HD LYS 20 11.358 5.438 1.300 147 HD3 LYS 20 1HD LYS 20 12.198 6.980 1.143 148 HE2 LYS 20 2HE LYS 20 10.501 7.713 -0.519 149 HE3 LYS 20 1HE LYS 20 9.641 6.192 -0.286 150 HZ1 LYS 20 1HZ LYS 20 8.779 8.073 1.058 151 HZ2 LYS 20 2HZ LYS 20 10.251 8.095 1.905 152 HZ3 LYS 20 3HZ LYS 20 9.245 6.729 1.981 153 H VAL 21 H VAL 21 13.321 1.615 -1.255 154 HA VAL 21 HA VAL 21 15.945 2.424 -0.445 155 HB VAL 21 HB VAL 21 14.889 0.659 0.785 156 HG11 VAL 21 1HG1 VAL 21 14.431 -1.546 -0.439 157 HG12 VAL 21 2HG1 VAL 21 14.590 -0.625 -1.933 158 HG13 VAL 21 3HG1 VAL 21 13.322 -0.219 -0.778 159 HG21 VAL 21 1HG2 VAL 21 16.615 -0.984 0.776 160 HG22 VAL 21 2HG2 VAL 21 17.396 0.497 0.224 161 HG23 VAL 21 3HG2 VAL 21 16.939 -0.745 -0.941 162 H MET 22 H MET 22 14.564 1.063 -3.340 163 HA MET 22 HA MET 22 17.207 0.416 -4.440 164 HB2 MET 22 2HB MET 22 14.404 0.036 -5.528 165 HB3 MET 22 1HB MET 22 15.879 -0.405 -6.400 166 HG2 MET 22 2HG MET 22 16.410 -1.691 -4.114 167 HG3 MET 22 1HG MET 22 14.646 -1.674 -3.985 168 HE1 MET 22 1HE MET 22 14.671 -5.164 -5.170 169 HE2 MET 22 2HE MET 22 13.513 -3.925 -4.691 170 HE3 MET 22 3HE MET 22 15.009 -4.122 -3.781 171 HN1 NH2 23 HN1 NH2 23 15.371 3.190 -4.179 172 HN2 NH2 23 HN2 NH2 23 15.888 3.984 -5.589 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -15.589 -4.158 1.591 2 H2 GLY 1 2HT GLY 1 -15.471 -3.164 0.218 3 H3 GLY 1 3HT GLY 1 -16.976 -3.801 0.681 4 HA2 GLY 1 2HA GLY 1 -17.298 -1.827 1.655 5 HA3 GLY 1 1HA GLY 1 -16.262 -2.506 2.919 6 H VAL 2 H VAL 2 -16.251 0.177 2.675 7 HA VAL 2 HA VAL 2 -14.273 1.174 0.862 8 HB VAL 2 HB VAL 2 -16.010 2.643 1.748 9 HG11 VAL 2 1HG1 VAL 2 -16.141 3.214 4.083 10 HG12 VAL 2 2HG1 VAL 2 -14.658 2.327 4.441 11 HG13 VAL 2 3HG1 VAL 2 -16.120 1.453 3.984 12 HG21 VAL 2 1HG2 VAL 2 -13.358 3.490 2.937 13 HG22 VAL 2 2HG2 VAL 2 -14.616 4.521 2.255 14 HG23 VAL 2 3HG2 VAL 2 -13.656 3.485 1.199 15 H VAL 3 H VAL 3 -14.217 -0.237 4.036 16 HA VAL 3 HA VAL 3 -11.703 0.751 4.901 17 HB VAL 3 HB VAL 3 -13.136 -1.814 5.630 18 HG11 VAL 3 1HG1 VAL 3 -10.790 -0.336 6.843 19 HG12 VAL 3 2HG1 VAL 3 -10.853 -2.018 6.313 20 HG13 VAL 3 3HG1 VAL 3 -11.743 -1.512 7.749 21 HG21 VAL 3 1HG2 VAL 3 -14.476 0.191 6.082 22 HG22 VAL 3 2HG2 VAL 3 -13.107 0.944 6.898 23 HG23 VAL 3 3HG2 VAL 3 -13.875 -0.480 7.598 24 H ASP 4 H ASP 4 -12.598 -2.394 3.461 25 HA ASP 4 HA ASP 4 -10.061 -3.508 3.305 26 HB2 ASP 4 2HB ASP 4 -10.941 -4.987 1.638 27 HB3 ASP 4 1HB ASP 4 -12.246 -4.645 2.772 28 H ILE 5 H ILE 5 -11.630 -1.208 1.129 29 HA ILE 5 HA ILE 5 -9.739 -1.313 -0.961 30 HB ILE 5 HB ILE 5 -11.520 0.955 -0.037 31 HG12 ILE 5 2HG1 ILE 5 -11.780 -1.030 -2.323 32 HG13 ILE 5 1HG1 ILE 5 -12.646 -1.147 -0.787 33 HG21 ILE 5 1HG2 ILE 5 -9.724 1.910 -1.339 34 HG22 ILE 5 2HG2 ILE 5 -11.125 1.787 -2.400 35 HG23 ILE 5 3HG2 ILE 5 -9.821 0.608 -2.525 36 HD11 ILE 5 1HD1 ILE 5 -14.192 -0.068 -2.203 37 HD12 ILE 5 2HD1 ILE 5 -12.944 0.920 -2.963 38 HD13 ILE 5 3HD1 ILE 5 -13.459 1.265 -1.312 39 H LEU 6 H LEU 6 -9.743 0.331 2.133 40 HA LEU 6 HA LEU 6 -7.504 2.026 1.501 41 HB2 LEU 6 2HB LEU 6 -8.137 3.090 3.371 42 HB3 LEU 6 1HB LEU 6 -9.455 1.927 3.517 43 HG LEU 6 HG LEU 6 -7.842 0.419 4.775 44 HD11 LEU 6 1HD1 LEU 6 -5.663 0.991 4.896 45 HD12 LEU 6 2HD1 LEU 6 -6.093 2.494 5.710 46 HD13 LEU 6 3HD1 LEU 6 -5.987 2.444 3.952 47 HD21 LEU 6 1HD2 LEU 6 -9.491 1.662 6.005 48 HD22 LEU 6 2HD2 LEU 6 -8.566 3.156 5.848 49 HD23 LEU 6 3HD2 LEU 6 -7.962 1.847 6.865 50 H LYS 7 H LYS 7 -7.972 -1.087 3.105 51 HA LYS 7 HA LYS 7 -5.386 -1.405 4.147 52 HB2 LYS 7 2HB LYS 7 -7.684 -3.130 3.543 53 HB3 LYS 7 1HB LYS 7 -6.150 -3.953 3.363 54 HG2 LYS 7 2HG LYS 7 -6.829 -4.247 5.645 55 HG3 LYS 7 1HG LYS 7 -5.501 -3.085 5.649 56 HD2 LYS 7 2HD LYS 7 -6.903 -1.277 6.087 57 HD3 LYS 7 1HD LYS 7 -8.311 -2.088 5.402 58 HE2 LYS 7 2HE LYS 7 -8.578 -3.477 7.314 59 HE3 LYS 7 1HE LYS 7 -6.968 -3.084 7.917 60 HZ1 LYS 7 1HZ LYS 7 -9.368 -1.358 7.841 61 HZ2 LYS 7 2HZ LYS 7 -7.808 -0.715 8.038 62 HZ3 LYS 7 3HZ LYS 7 -8.433 -1.801 9.184 63 H GLY 8 H GLY 8 -6.379 -1.010 0.991 64 HA2 GLY 8 2HA GLY 8 -4.576 -2.740 -0.384 65 HA3 GLY 8 1HA GLY 8 -5.395 -1.333 -1.070 66 H ALA 9 H ALA 9 -4.446 0.630 0.694 67 HA ALA 9 HA ALA 9 -1.865 1.152 -0.446 68 HB1 ALA 9 1HB ALA 9 -3.139 2.667 1.832 69 HB2 ALA 9 2HB ALA 9 -3.658 2.875 0.159 70 HB3 ALA 9 3HB ALA 9 -2.002 3.266 0.624 71 H ALA 10 H ALA 10 -3.079 -0.055 2.609 72 HA ALA 10 HA ALA 10 -0.934 0.318 4.307 73 HB1 ALA 10 1HB ALA 10 -2.597 -2.202 4.073 74 HB2 ALA 10 2HB ALA 10 -3.078 -0.752 4.954 75 HB3 ALA 10 3HB ALA 10 -1.678 -1.684 5.486 76 H LYS 11 H LYS 11 -1.286 -1.983 1.670 77 HA LYS 11 HA LYS 11 1.065 -3.490 2.290 78 HB2 LYS 11 2HB LYS 11 -0.873 -3.310 0.017 79 HB3 LYS 11 1HB LYS 11 0.663 -4.124 -0.240 80 HG2 LYS 11 2HG LYS 11 0.179 -5.834 1.254 81 HG3 LYS 11 1HG LYS 11 -0.905 -4.819 2.217 82 HD2 LYS 11 2HD LYS 11 -2.571 -4.873 0.395 83 HD3 LYS 11 1HD LYS 11 -1.498 -5.900 -0.557 84 HE2 LYS 11 2HE LYS 11 -1.534 -7.550 1.365 85 HE3 LYS 11 1HE LYS 11 -2.807 -6.569 2.091 86 HZ1 LYS 11 1HZ LYS 11 -4.236 -6.989 0.299 87 HZ2 LYS 11 2HZ LYS 11 -3.541 -8.495 0.662 88 HZ3 LYS 11 3HZ LYS 11 -2.993 -7.603 -0.676 89 H ASP 12 H ASP 12 0.284 -0.865 0.021 90 HA ASP 12 HA ASP 12 2.723 -0.757 -1.336 91 HB2 ASP 12 2HB ASP 12 1.936 1.186 -2.252 92 HB3 ASP 12 1HB ASP 12 0.424 0.522 -1.634 93 H ILE 13 H ILE 13 1.672 0.946 1.599 94 HA ILE 13 HA ILE 13 3.886 2.539 2.057 95 HB ILE 13 HB ILE 13 2.114 1.044 4.001 96 HG12 ILE 13 2HG1 ILE 13 2.294 3.998 3.347 97 HG13 ILE 13 1HG1 ILE 13 1.185 2.896 2.529 98 HG21 ILE 13 1HG2 ILE 13 3.071 2.760 5.656 99 HG22 ILE 13 2HG2 ILE 13 4.373 2.995 4.490 100 HG23 ILE 13 3HG2 ILE 13 4.124 1.412 5.227 101 HD11 ILE 13 1HD1 ILE 13 1.262 3.129 5.540 102 HD12 ILE 13 2HD1 ILE 13 -0.011 2.443 4.530 103 HD13 ILE 13 3HD1 ILE 13 0.254 4.186 4.551 104 H ALA 14 H ALA 14 3.522 -0.868 2.152 105 HA ALA 14 HA ALA 14 6.163 -1.230 3.435 106 HB1 ALA 14 1HB ALA 14 4.114 -3.354 2.785 107 HB2 ALA 14 2HB ALA 14 4.163 -2.487 4.320 108 HB3 ALA 14 3HB ALA 14 5.521 -3.504 3.837 109 H GLY 15 H GLY 15 4.472 -1.478 0.427 110 HA2 GLY 15 2HA GLY 15 6.670 -3.026 -0.792 111 HA3 GLY 15 1HA GLY 15 5.068 -2.780 -1.497 112 H HIS 16 H HIS 16 4.574 -0.276 -1.711 113 HA HIS 16 HA HIS 16 6.121 0.737 -3.766 114 HB2 HIS 16 2HB HIS 16 3.960 1.654 -3.456 115 HB3 HIS 16 1HB HIS 16 4.292 2.067 -1.774 116 HD2 HIS 16 2HD HIS 16 4.647 4.776 -1.629 117 HE1 HIS 16 1HE HIS 16 6.658 5.349 -5.298 118 HE2 HIS 16 2HE HIS 16 5.796 6.512 -3.210 119 H LEU 17 H LEU 17 6.394 1.287 -0.277 120 HA LEU 17 HA LEU 17 8.406 3.277 -0.402 121 HB2 LEU 17 2HB LEU 17 7.442 1.337 1.688 122 HB3 LEU 17 1HB LEU 17 8.818 2.396 1.992 123 HG LEU 17 HG LEU 17 6.451 3.211 2.683 124 HD11 LEU 17 1HD1 LEU 17 8.588 4.586 2.520 125 HD12 LEU 17 2HD1 LEU 17 7.085 5.489 2.344 126 HD13 LEU 17 3HD1 LEU 17 8.041 5.083 0.920 127 HD21 LEU 17 1HD2 LEU 17 6.345 4.001 -0.236 128 HD22 LEU 17 2HD2 LEU 17 5.106 4.241 0.993 129 HD23 LEU 17 3HD2 LEU 17 5.468 2.617 0.416 130 H ALA 18 H ALA 18 8.478 -0.246 -0.171 131 HA ALA 18 HA ALA 18 11.199 -0.640 0.292 132 HB1 ALA 18 1HB ALA 18 9.411 -2.414 0.264 133 HB2 ALA 18 2HB ALA 18 10.892 -2.860 -0.581 134 HB3 ALA 18 3HB ALA 18 9.471 -2.359 -1.498 135 H SER 19 H SER 19 9.588 0.537 -2.514 136 HA SER 19 HA SER 19 11.680 -0.114 -4.375 137 HB2 SER 19 2HB SER 19 9.166 0.318 -4.863 138 HB3 SER 19 1HB SER 19 9.615 2.020 -4.820 139 HG SER 19 HG SER 19 11.071 1.644 -6.472 140 H LYS 20 H LYS 20 10.827 2.593 -2.322 141 HA LYS 20 HA LYS 20 12.341 4.628 -3.456 142 HB2 LYS 20 2HB LYS 20 10.739 4.681 -1.434 143 HB3 LYS 20 1HB LYS 20 12.171 4.252 -0.497 144 HG2 LYS 20 2HG LYS 20 13.356 6.219 -1.501 145 HG3 LYS 20 1HG LYS 20 11.837 6.686 -2.266 146 HD2 LYS 20 2HD LYS 20 10.769 7.022 -0.146 147 HD3 LYS 20 1HD LYS 20 12.105 6.263 0.718 148 HE2 LYS 20 2HE LYS 20 13.605 8.097 -0.115 149 HE3 LYS 20 1HE LYS 20 12.182 8.889 -0.792 150 HZ1 LYS 20 1HZ LYS 20 11.884 9.800 1.190 151 HZ2 LYS 20 2HZ LYS 20 13.107 8.852 1.892 152 HZ3 LYS 20 3HZ LYS 20 11.516 8.261 1.801 153 H VAL 21 H VAL 21 13.322 2.133 -1.131 154 HA VAL 21 HA VAL 21 16.018 3.052 -0.914 155 HB VAL 21 HB VAL 21 15.107 1.708 0.863 156 HG11 VAL 21 1HG1 VAL 21 14.580 -0.740 0.362 157 HG12 VAL 21 2HG1 VAL 21 14.604 -0.300 -1.345 158 HG13 VAL 21 3HG1 VAL 21 13.423 0.436 -0.262 159 HG21 VAL 21 1HG2 VAL 21 17.548 1.405 0.135 160 HG22 VAL 21 2HG2 VAL 21 17.028 -0.102 -0.619 161 HG23 VAL 21 3HG2 VAL 21 16.866 0.115 1.124 162 H MET 22 H MET 22 14.297 1.155 -3.221 163 HA MET 22 HA MET 22 16.739 0.843 -4.796 164 HB2 MET 22 2HB MET 22 16.315 -1.537 -5.229 165 HB3 MET 22 1HB MET 22 16.608 -1.245 -3.508 166 HG2 MET 22 2HG MET 22 14.625 -2.233 -3.065 167 HG3 MET 22 1HG MET 22 13.834 -0.877 -3.880 168 HE1 MET 22 1HE MET 22 15.796 -4.149 -4.456 169 HE2 MET 22 2HE MET 22 14.627 -5.103 -5.366 170 HE3 MET 22 3HE MET 22 14.236 -4.567 -3.734 171 HN1 NH2 23 HN1 NH2 23 15.204 2.626 -5.809 172 HN2 NH2 23 HN2 NH2 23 14.097 2.053 -6.962 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -14.645 -4.448 0.993 2 H2 GLY 1 2HT GLY 1 -15.676 -5.727 1.423 3 H3 GLY 1 3HT GLY 1 -14.019 -5.808 1.790 4 HA2 GLY 1 2HA GLY 1 -16.151 -4.266 3.095 5 HA3 GLY 1 1HA GLY 1 -14.837 -5.204 3.821 6 H VAL 2 H VAL 2 -15.567 -2.467 4.430 7 HA VAL 2 HA VAL 2 -14.101 -0.463 3.253 8 HB VAL 2 HB VAL 2 -15.660 -0.134 5.150 9 HG11 VAL 2 1HG1 VAL 2 -13.377 -1.059 6.907 10 HG12 VAL 2 2HG1 VAL 2 -14.704 -2.122 6.440 11 HG13 VAL 2 3HG1 VAL 2 -15.028 -0.674 7.392 12 HG21 VAL 2 1HG2 VAL 2 -12.881 0.903 5.782 13 HG22 VAL 2 2HG2 VAL 2 -14.420 1.665 6.185 14 HG23 VAL 2 3HG2 VAL 2 -13.901 1.563 4.503 15 H VAL 3 H VAL 3 -12.949 -3.136 5.152 16 HA VAL 3 HA VAL 3 -10.435 -2.141 5.931 17 HB VAL 3 HB VAL 3 -11.029 -5.006 5.177 18 HG11 VAL 3 1HG1 VAL 3 -9.185 -3.728 7.221 19 HG12 VAL 3 2HG1 VAL 3 -8.681 -4.458 5.696 20 HG13 VAL 3 3HG1 VAL 3 -9.385 -5.461 6.964 21 HG21 VAL 3 1HG2 VAL 3 -11.702 -3.457 7.696 22 HG22 VAL 3 2HG2 VAL 3 -11.716 -5.218 7.597 23 HG23 VAL 3 3HG2 VAL 3 -12.835 -4.271 6.615 24 H ASP 4 H ASP 4 -11.298 -4.133 3.091 25 HA ASP 4 HA ASP 4 -8.757 -4.149 1.909 26 HB2 ASP 4 2HB ASP 4 -9.843 -4.885 -0.091 27 HB3 ASP 4 1HB ASP 4 -10.739 -5.574 1.261 28 H ILE 5 H ILE 5 -11.353 -1.775 1.762 29 HA ILE 5 HA ILE 5 -10.418 -0.237 -0.388 30 HB ILE 5 HB ILE 5 -11.884 0.677 2.098 31 HG12 ILE 5 2HG1 ILE 5 -12.840 -1.190 0.496 32 HG13 ILE 5 1HG1 ILE 5 -13.882 0.136 1.014 33 HG21 ILE 5 1HG2 ILE 5 -11.298 1.982 -0.560 34 HG22 ILE 5 2HG2 ILE 5 -11.054 2.633 1.062 35 HG23 ILE 5 3HG2 ILE 5 -12.686 2.464 0.415 36 HD11 ILE 5 1HD1 ILE 5 -13.803 -0.476 -1.523 37 HD12 ILE 5 2HD1 ILE 5 -12.266 0.386 -1.516 38 HD13 ILE 5 3HD1 ILE 5 -13.747 1.225 -1.061 39 H LEU 6 H LEU 6 -9.532 -0.216 3.037 40 HA LEU 6 HA LEU 6 -7.877 2.107 2.822 41 HB2 LEU 6 2HB LEU 6 -7.704 1.943 5.072 42 HB3 LEU 6 1HB LEU 6 -9.014 0.775 4.904 43 HG LEU 6 HG LEU 6 -7.147 -0.994 4.621 44 HD11 LEU 6 1HD1 LEU 6 -5.534 1.349 4.839 45 HD12 LEU 6 2HD1 LEU 6 -4.996 -0.326 4.738 46 HD13 LEU 6 3HD1 LEU 6 -5.282 0.412 6.312 47 HD21 LEU 6 1HD2 LEU 6 -6.837 -1.092 7.131 48 HD22 LEU 6 2HD2 LEU 6 -8.513 -0.943 6.602 49 HD23 LEU 6 3HD2 LEU 6 -7.657 0.468 7.223 50 H LYS 7 H LYS 7 -7.348 -1.371 2.565 51 HA LYS 7 HA LYS 7 -4.572 -1.463 2.727 52 HB2 LYS 7 2HB LYS 7 -6.687 -3.162 1.694 53 HB3 LYS 7 1HB LYS 7 -5.272 -3.241 0.668 54 HG2 LYS 7 2HG LYS 7 -5.002 -4.932 2.347 55 HG3 LYS 7 1HG LYS 7 -3.882 -3.629 2.746 56 HD2 LYS 7 2HD LYS 7 -5.150 -2.902 4.553 57 HD3 LYS 7 1HD LYS 7 -6.646 -3.546 3.878 58 HE2 LYS 7 2HE LYS 7 -6.125 -5.761 4.515 59 HE3 LYS 7 1HE LYS 7 -4.416 -5.384 4.737 60 HZ1 LYS 7 1HZ LYS 7 -6.699 -4.658 6.462 61 HZ2 LYS 7 2HZ LYS 7 -5.233 -3.804 6.539 62 HZ3 LYS 7 3HZ LYS 7 -5.269 -5.468 6.881 63 H GLY 8 H GLY 8 -6.532 0.151 0.506 64 HA2 GLY 8 2HA GLY 8 -5.108 0.043 -1.895 65 HA3 GLY 8 1HA GLY 8 -6.053 1.433 -1.349 66 H ALA 9 H ALA 9 -4.756 2.391 0.774 67 HA ALA 9 HA ALA 9 -2.410 3.587 -0.381 68 HB1 ALA 9 1HB ALA 9 -3.315 3.833 2.487 69 HB2 ALA 9 2HB ALA 9 -4.090 4.720 1.174 70 HB3 ALA 9 3HB ALA 9 -2.385 4.991 1.536 71 H ALA 10 H ALA 10 -3.075 1.075 1.975 72 HA ALA 10 HA ALA 10 -0.605 0.887 3.253 73 HB1 ALA 10 1HB ALA 10 -2.254 -1.510 2.455 74 HB2 ALA 10 2HB ALA 10 -2.747 -0.414 3.745 75 HB3 ALA 10 3HB ALA 10 -1.235 -1.313 3.880 76 H LYS 11 H LYS 11 -1.660 -0.441 0.141 77 HA LYS 11 HA LYS 11 0.644 -1.987 -0.378 78 HB2 LYS 11 2HB LYS 11 -1.636 -0.888 -1.956 79 HB3 LYS 11 1HB LYS 11 -0.225 -1.448 -2.842 80 HG2 LYS 11 2HG LYS 11 -0.494 -3.657 -2.171 81 HG3 LYS 11 1HG LYS 11 -1.332 -3.204 -0.679 82 HD2 LYS 11 2HD LYS 11 -3.315 -2.550 -1.972 83 HD3 LYS 11 1HD LYS 11 -2.485 -2.955 -3.476 84 HE2 LYS 11 2HE LYS 11 -2.362 -5.285 -2.868 85 HE3 LYS 11 1HE LYS 11 -2.945 -4.945 -1.239 86 HZ1 LYS 11 1HZ LYS 11 -4.836 -3.869 -2.898 87 HZ2 LYS 11 2HZ LYS 11 -4.966 -5.325 -2.032 88 HZ3 LYS 11 3HZ LYS 11 -4.426 -5.336 -3.644 89 H ASP 12 H ASP 12 -0.183 1.393 -1.028 90 HA ASP 12 HA ASP 12 2.156 1.922 -2.604 91 HB2 ASP 12 2HB ASP 12 -0.168 3.182 -2.361 92 HB3 ASP 12 1HB ASP 12 0.714 4.087 -1.129 93 H ILE 13 H ILE 13 1.183 2.631 0.736 94 HA ILE 13 HA ILE 13 3.582 3.890 1.544 95 HB ILE 13 HB ILE 13 1.572 2.337 3.196 96 HG12 ILE 13 2HG1 ILE 13 1.774 5.331 2.815 97 HG13 ILE 13 1HG1 ILE 13 0.757 4.324 1.785 98 HG21 ILE 13 1HG2 ILE 13 3.678 4.381 3.965 99 HG22 ILE 13 2HG2 ILE 13 3.686 2.671 4.392 100 HG23 ILE 13 3HG2 ILE 13 2.451 3.739 5.056 101 HD11 ILE 13 1HD1 ILE 13 -0.548 5.247 3.661 102 HD12 ILE 13 2HD1 ILE 13 0.571 4.507 4.807 103 HD13 ILE 13 3HD1 ILE 13 -0.439 3.490 3.779 104 H ALA 14 H ALA 14 2.665 0.612 1.052 105 HA ALA 14 HA ALA 14 5.073 -0.386 2.435 106 HB1 ALA 14 1HB ALA 14 2.804 -1.377 2.933 107 HB2 ALA 14 2HB ALA 14 4.034 -2.536 2.435 108 HB3 ALA 14 3HB ALA 14 2.803 -2.012 1.288 109 H GLY 15 H GLY 15 3.787 0.173 -0.720 110 HA2 GLY 15 2HA GLY 15 5.694 -1.699 -1.959 111 HA3 GLY 15 1HA GLY 15 4.357 -0.884 -2.777 112 H HIS 16 H HIS 16 4.600 1.636 -2.679 113 HA HIS 16 HA HIS 16 6.735 2.383 -4.268 114 HB2 HIS 16 2HB HIS 16 4.844 3.820 -4.144 115 HB3 HIS 16 1HB HIS 16 4.987 3.968 -2.393 116 HD2 HIS 16 2HD HIS 16 5.866 6.525 -1.971 117 HE1 HIS 16 1HE HIS 16 8.821 6.669 -4.983 118 HE2 HIS 16 2HE HIS 16 7.769 7.951 -3.058 119 H LEU 17 H LEU 17 6.437 2.434 -0.740 120 HA LEU 17 HA LEU 17 8.962 3.714 -0.315 121 HB2 LEU 17 2HB LEU 17 6.997 2.250 1.441 122 HB3 LEU 17 1HB LEU 17 8.517 2.894 2.058 123 HG LEU 17 HG LEU 17 7.882 5.123 1.095 124 HD11 LEU 17 1HD1 LEU 17 6.307 4.747 -0.557 125 HD12 LEU 17 2HD1 LEU 17 5.271 5.250 0.776 126 HD13 LEU 17 3HD1 LEU 17 5.448 3.539 0.392 127 HD21 LEU 17 1HD2 LEU 17 7.459 4.369 3.511 128 HD22 LEU 17 2HD2 LEU 17 5.785 4.114 3.023 129 HD23 LEU 17 3HD2 LEU 17 6.490 5.726 2.939 130 H ALA 18 H ALA 18 7.775 0.378 -0.176 131 HA ALA 18 HA ALA 18 10.040 -0.891 0.821 132 HB1 ALA 18 1HB ALA 18 9.225 -2.816 -0.774 133 HB2 ALA 18 2HB ALA 18 7.852 -1.743 -1.044 134 HB3 ALA 18 3HB ALA 18 8.218 -2.313 0.584 135 H SER 19 H SER 19 9.407 0.379 -2.383 136 HA SER 19 HA SER 19 11.438 -0.899 -3.829 137 HB2 SER 19 2HB SER 19 9.545 0.732 -4.604 138 HB3 SER 19 1HB SER 19 10.752 1.980 -4.314 139 HG SER 19 HG SER 19 10.976 1.290 -6.417 140 H LYS 20 H LYS 20 11.521 1.856 -1.654 141 HA LYS 20 HA LYS 20 14.023 2.913 -2.259 142 HB2 LYS 20 2HB LYS 20 12.247 3.781 -0.625 143 HB3 LYS 20 1HB LYS 20 12.996 2.687 0.541 144 HG2 LYS 20 2HG LYS 20 15.146 3.787 0.287 145 HG3 LYS 20 1HG LYS 20 14.512 4.797 -1.012 146 HD2 LYS 20 2HD LYS 20 14.437 6.185 0.911 147 HD3 LYS 20 1HD LYS 20 12.779 5.626 0.698 148 HE2 LYS 20 2HE LYS 20 13.006 3.997 2.437 149 HE3 LYS 20 1HE LYS 20 14.755 4.210 2.501 150 HZ1 LYS 20 1HZ LYS 20 12.771 6.317 3.158 151 HZ2 LYS 20 2HZ LYS 20 14.458 6.434 3.313 152 HZ3 LYS 20 3HZ LYS 20 13.582 5.366 4.303 153 H VAL 21 H VAL 21 13.177 0.306 0.001 154 HA VAL 21 HA VAL 21 15.999 -0.223 0.527 155 HB VAL 21 HB VAL 21 14.464 -0.359 2.405 156 HG11 VAL 21 1HG1 VAL 21 13.084 -2.538 0.810 157 HG12 VAL 21 2HG1 VAL 21 12.433 -0.925 1.105 158 HG13 VAL 21 3HG1 VAL 21 12.670 -2.040 2.450 159 HG21 VAL 21 1HG2 VAL 21 15.157 -2.476 3.261 160 HG22 VAL 21 2HG2 VAL 21 16.417 -2.000 2.121 161 HG23 VAL 21 3HG2 VAL 21 15.207 -3.193 1.650 162 H MET 22 H MET 22 13.574 -1.247 -1.654 163 HA MET 22 HA MET 22 15.048 -3.744 -2.249 164 HB2 MET 22 2HB MET 22 12.243 -2.890 -3.016 165 HB3 MET 22 1HB MET 22 13.016 -4.400 -3.516 166 HG2 MET 22 2HG MET 22 13.422 -4.559 -0.842 167 HG3 MET 22 1HG MET 22 11.927 -3.614 -0.858 168 HE1 MET 22 1HE MET 22 10.496 -5.581 0.345 169 HE2 MET 22 2HE MET 22 12.140 -6.188 0.532 170 HE3 MET 22 3HE MET 22 10.866 -7.272 -0.021 171 HN1 NH2 23 HN1 NH2 23 15.693 -0.857 -3.146 172 HN2 NH2 23 HN2 NH2 23 15.787 -0.983 -4.836
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