NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613226 | 5u9x | 30215 | 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 -2.255 -16.663 5.882 2 H2 GLY 1 2HT GLY 1 -3.021 -17.926 5.043 3 H3 GLY 1 3HT GLY 1 -3.902 -16.546 5.495 4 HA2 GLY 1 2HA GLY 1 -1.556 -16.089 3.831 5 HA3 GLY 1 1HA GLY 1 -2.936 -16.885 3.059 6 H VAL 2 H VAL 2 -4.438 -15.316 5.391 7 HA VAL 2 HA VAL 2 -5.661 -13.390 3.835 8 HB VAL 2 HB VAL 2 -6.602 -12.566 5.851 9 HG11 VAL 2 1HG1 VAL 2 -7.007 -15.011 5.229 10 HG12 VAL 2 2HG1 VAL 2 -7.361 -14.569 6.899 11 HG13 VAL 2 3HG1 VAL 2 -5.866 -15.419 6.510 12 HG21 VAL 2 1HG2 VAL 2 -5.520 -13.276 8.079 13 HG22 VAL 2 2HG2 VAL 2 -4.702 -12.006 7.170 14 HG23 VAL 2 3HG2 VAL 2 -4.089 -13.659 7.122 15 H VAL 3 H VAL 3 -2.731 -13.164 5.780 16 HA VAL 3 HA VAL 3 -2.387 -10.389 5.795 17 HB VAL 3 HB VAL 3 -0.243 -12.519 5.620 18 HG11 VAL 3 1HG1 VAL 3 0.696 -10.338 5.194 19 HG12 VAL 3 2HG1 VAL 3 1.074 -10.755 6.865 20 HG13 VAL 3 3HG1 VAL 3 -0.233 -9.624 6.513 21 HG21 VAL 3 1HG2 VAL 3 -0.264 -12.430 8.069 22 HG22 VAL 3 2HG2 VAL 3 -1.871 -12.854 7.479 23 HG23 VAL 3 3HG2 VAL 3 -1.541 -11.213 8.033 24 H ASP 4 H ASP 4 -1.331 -12.804 3.407 25 HA ASP 4 HA ASP 4 0.081 -11.129 1.687 26 HB2 ASP 4 2HB ASP 4 -0.093 -13.642 1.550 27 HB3 ASP 4 1HB ASP 4 -1.680 -13.425 0.813 28 H ILE 5 H ILE 5 -3.395 -11.798 1.854 29 HA ILE 5 HA ILE 5 -4.079 -10.263 -0.454 30 HB ILE 5 HB ILE 5 -5.756 -11.119 1.918 31 HG12 ILE 5 2HG1 ILE 5 -5.612 -12.277 -0.880 32 HG13 ILE 5 1HG1 ILE 5 -4.677 -12.914 0.473 33 HG21 ILE 5 1HG2 ILE 5 -6.874 -9.286 0.851 34 HG22 ILE 5 2HG2 ILE 5 -7.634 -10.753 0.234 35 HG23 ILE 5 3HG2 ILE 5 -6.460 -9.885 -0.755 36 HD11 ILE 5 1HD1 ILE 5 -6.628 -13.552 1.665 37 HD12 ILE 5 2HD1 ILE 5 -6.944 -14.038 -0.001 38 HD13 ILE 5 3HD1 ILE 5 -7.673 -12.566 0.642 39 H LEU 6 H LEU 6 -4.341 -9.608 3.043 40 HA LEU 6 HA LEU 6 -5.304 -6.985 2.847 41 HB2 LEU 6 2HB LEU 6 -4.941 -8.591 4.917 42 HB3 LEU 6 1HB LEU 6 -3.404 -7.729 5.043 43 HG LEU 6 HG LEU 6 -6.152 -6.442 4.968 44 HD11 LEU 6 1HD1 LEU 6 -4.139 -6.873 7.194 45 HD12 LEU 6 2HD1 LEU 6 -5.778 -7.520 7.102 46 HD13 LEU 6 3HD1 LEU 6 -5.524 -5.789 7.321 47 HD21 LEU 6 1HD2 LEU 6 -3.335 -5.357 5.018 48 HD22 LEU 6 2HD2 LEU 6 -4.670 -4.425 5.696 49 HD23 LEU 6 3HD2 LEU 6 -4.685 -4.873 3.992 50 H LYS 7 H LYS 7 -1.936 -8.032 3.456 51 HA LYS 7 HA LYS 7 -0.722 -5.551 3.279 52 HB2 LYS 7 2HB LYS 7 0.154 -8.012 3.820 53 HB3 LYS 7 1HB LYS 7 0.674 -7.926 2.147 54 HG2 LYS 7 2HG LYS 7 2.497 -7.107 3.485 55 HG3 LYS 7 1HG LYS 7 1.769 -5.707 2.695 56 HD2 LYS 7 2HD LYS 7 1.161 -4.792 4.676 57 HD3 LYS 7 1HD LYS 7 0.450 -6.309 5.227 58 HE2 LYS 7 2HE LYS 7 2.367 -5.527 6.650 59 HE3 LYS 7 1HE LYS 7 2.618 -7.127 5.950 60 HZ1 LYS 7 1HZ LYS 7 4.422 -6.385 4.937 61 HZ2 LYS 7 2HZ LYS 7 4.218 -4.865 5.668 62 HZ3 LYS 7 3HZ LYS 7 3.532 -5.178 4.145 63 H GLY 8 H GLY 8 -1.461 -7.880 0.701 64 HA2 GLY 8 2HA GLY 8 -0.206 -6.550 -1.421 65 HA3 GLY 8 1HA GLY 8 -1.582 -7.633 -1.587 66 H ALA 9 H ALA 9 -3.147 -5.899 0.263 67 HA ALA 9 HA ALA 9 -4.282 -4.169 -1.746 68 HB1 ALA 9 1HB ALA 9 -6.030 -3.781 -0.200 69 HB2 ALA 9 2HB ALA 9 -5.014 -4.202 1.179 70 HB3 ALA 9 3HB ALA 9 -5.558 -5.459 0.067 71 H ALA 10 H ALA 10 -2.611 -3.712 1.360 72 HA ALA 10 HA ALA 10 -2.713 -0.915 1.459 73 HB1 ALA 10 1HB ALA 10 -0.423 -2.625 2.445 74 HB2 ALA 10 2HB ALA 10 -1.958 -2.466 3.300 75 HB3 ALA 10 3HB ALA 10 -0.932 -1.052 3.060 76 H LYS 11 H LYS 11 -0.589 -3.087 -0.298 77 HA LYS 11 HA LYS 11 1.450 -1.295 -0.988 78 HB2 LYS 11 2HB LYS 11 1.299 -3.836 -1.373 79 HB3 LYS 11 1HB LYS 11 0.449 -3.406 -2.850 80 HG2 LYS 11 2HG LYS 11 2.416 -1.848 -3.363 81 HG3 LYS 11 1HG LYS 11 3.272 -2.690 -2.065 82 HD2 LYS 11 2HD LYS 11 2.884 -4.845 -3.223 83 HD3 LYS 11 1HD LYS 11 2.072 -3.986 -4.532 84 HE2 LYS 11 2HE LYS 11 4.350 -4.348 -5.228 85 HE3 LYS 11 1HE LYS 11 4.190 -2.636 -4.835 86 HZ1 LYS 11 1HZ LYS 11 5.516 -2.830 -3.048 87 HZ2 LYS 11 2HZ LYS 11 6.107 -4.200 -3.861 88 HZ3 LYS 11 3HZ LYS 11 4.943 -4.372 -2.636 89 H ASP 12 H ASP 12 -1.643 -1.993 -2.558 90 HA ASP 12 HA ASP 12 -1.203 -0.228 -4.768 91 HB2 ASP 12 2HB ASP 12 -2.791 -2.163 -4.789 92 HB3 ASP 12 1HB ASP 12 -3.839 -1.253 -3.691 93 H ILE 13 H ILE 13 -2.972 0.037 -1.698 94 HA ILE 13 HA ILE 13 -3.977 2.658 -2.203 95 HB ILE 13 HB ILE 13 -3.566 1.178 0.406 96 HG12 ILE 13 2HG1 ILE 13 -6.119 1.607 -1.162 97 HG13 ILE 13 1HG1 ILE 13 -5.106 0.181 -1.384 98 HG21 ILE 13 1HG2 ILE 13 -5.404 2.819 1.132 99 HG22 ILE 13 2HG2 ILE 13 -4.992 3.746 -0.311 100 HG23 ILE 13 3HG2 ILE 13 -3.782 3.486 0.946 101 HD11 ILE 13 1HD1 ILE 13 -5.372 -0.454 0.932 102 HD12 ILE 13 2HD1 ILE 13 -6.979 -0.136 0.277 103 HD13 ILE 13 3HD1 ILE 13 -6.192 1.062 1.303 104 H ALA 14 H ALA 14 -1.340 1.496 -0.092 105 HA ALA 14 HA ALA 14 -0.407 4.092 0.581 106 HB1 ALA 14 1HB ALA 14 1.478 2.976 1.563 107 HB2 ALA 14 2HB ALA 14 1.202 1.532 0.589 108 HB3 ALA 14 3HB ALA 14 0.060 1.970 1.860 109 H GLY 15 H GLY 15 0.191 1.950 -2.104 110 HA2 GLY 15 2HA GLY 15 2.633 2.992 -3.034 111 HA3 GLY 15 1HA GLY 15 1.412 2.200 -4.038 112 H HIS 16 H HIS 16 -0.710 3.833 -3.980 113 HA HIS 16 HA HIS 16 0.025 5.941 -5.716 114 HB2 HIS 16 2HB HIS 16 -2.209 6.114 -6.100 115 HB3 HIS 16 1HB HIS 16 -2.301 4.623 -5.165 116 HD2 HIS 16 2HD HIS 16 -3.968 4.868 -2.980 117 HE1 HIS 16 1HE HIS 16 -3.841 9.069 -2.588 118 HE2 HIS 16 2HE HIS 16 -4.870 6.937 -1.668 119 H LEU 17 H LEU 17 -0.890 5.862 -2.300 120 HA LEU 17 HA LEU 17 -0.948 8.637 -1.856 121 HB2 LEU 17 2HB LEU 17 -1.707 6.618 -0.373 122 HB3 LEU 17 1HB LEU 17 -0.063 6.734 0.256 123 HG LEU 17 HG LEU 17 -2.061 9.012 0.164 124 HD11 LEU 17 1HD1 LEU 17 -2.771 7.479 1.854 125 HD12 LEU 17 2HD1 LEU 17 -1.878 8.743 2.700 126 HD13 LEU 17 3HD1 LEU 17 -1.114 7.186 2.383 127 HD21 LEU 17 1HD2 LEU 17 0.062 10.022 0.056 128 HD22 LEU 17 2HD2 LEU 17 0.814 8.770 1.043 129 HD23 LEU 17 3HD2 LEU 17 -0.247 9.964 1.790 130 H ALA 18 H ALA 18 1.633 6.317 -1.013 131 HA ALA 18 HA ALA 18 3.532 8.249 -0.273 132 HB1 ALA 18 1HB ALA 18 5.198 6.397 -0.721 133 HB2 ALA 18 2HB ALA 18 3.843 5.422 -1.289 134 HB3 ALA 18 3HB ALA 18 3.888 5.980 0.384 135 H SER 19 H SER 19 2.350 7.393 -3.355 136 HA SER 19 HA SER 19 4.580 7.807 -4.996 137 HB2 SER 19 2HB SER 19 3.090 7.654 -6.711 138 HB3 SER 19 1HB SER 19 1.992 7.143 -5.435 139 HG SER 19 HG SER 19 0.885 8.866 -5.854 140 H LYS 20 H LYS 20 2.327 10.109 -3.536 141 HA LYS 20 HA LYS 20 3.416 12.369 -4.935 142 HB2 LYS 20 2HB LYS 20 1.921 13.702 -3.635 143 HB3 LYS 20 1HB LYS 20 1.059 12.223 -4.063 144 HG2 LYS 20 2HG LYS 20 0.632 12.053 -1.835 145 HG3 LYS 20 1HG LYS 20 2.291 11.485 -1.736 146 HD2 LYS 20 2HD LYS 20 2.294 13.198 -0.149 147 HD3 LYS 20 1HD LYS 20 2.891 14.035 -1.581 148 HE2 LYS 20 2HE LYS 20 0.733 14.979 -2.033 149 HE3 LYS 20 1HE LYS 20 -0.035 13.938 -0.835 150 HZ1 LYS 20 1HZ LYS 20 1.523 16.366 -0.459 151 HZ2 LYS 20 2HZ LYS 20 1.769 15.132 0.683 152 HZ3 LYS 20 3HZ LYS 20 0.213 15.768 0.436 153 H VAL 21 H VAL 21 4.175 10.652 -2.040 154 HA VAL 21 HA VAL 21 5.548 12.741 -0.699 155 HB VAL 21 HB VAL 21 5.857 9.747 -0.444 156 HG11 VAL 21 1HG1 VAL 21 6.698 10.430 1.866 157 HG12 VAL 21 2HG1 VAL 21 6.815 12.074 1.238 158 HG13 VAL 21 3HG1 VAL 21 7.786 10.786 0.524 159 HG21 VAL 21 1HG2 VAL 21 4.353 10.026 1.494 160 HG22 VAL 21 2HG2 VAL 21 3.568 10.571 0.012 161 HG23 VAL 21 3HG2 VAL 21 4.223 11.750 1.149 162 H MET 22 H MET 22 6.474 10.340 -3.057 163 HA MET 22 HA MET 22 9.270 10.593 -2.870 164 HB2 MET 22 2HB MET 22 7.644 9.995 -5.354 165 HB3 MET 22 1HB MET 22 9.346 9.594 -5.082 166 HG2 MET 22 2HG MET 22 8.435 8.335 -2.969 167 HG3 MET 22 1HG MET 22 6.893 8.387 -3.824 168 HE1 MET 22 1HE MET 22 7.701 5.752 -3.093 169 HE2 MET 22 2HE MET 22 9.429 6.075 -2.974 170 HE3 MET 22 3HE MET 22 8.847 4.824 -4.070 171 H ASN 23 H ASN 23 7.091 12.958 -3.530 172 HA ASN 23 HA ASN 23 9.093 14.541 -4.984 173 HB2 ASN 23 2HB ASN 23 6.563 15.504 -5.784 174 HB3 ASN 23 1HB ASN 23 7.751 14.687 -6.800 175 HD21 ASN 23 1HD2 ASN 23 7.658 12.061 -5.874 176 HD22 ASN 23 2HD2 ASN 23 6.093 11.430 -6.045 177 HN1 NH2 24 HN1 NH2 24 5.809 15.166 -3.634 178 HN2 NH2 24 HN2 NH2 24 6.323 16.426 -2.606 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -1.487 -18.227 2.107 2 H2 GLY 1 2HT GLY 1 0.115 -17.736 2.384 3 H3 GLY 1 3HT GLY 1 -0.870 -16.865 1.308 4 HA2 GLY 1 2HA GLY 1 -1.937 -17.120 3.987 5 HA3 GLY 1 1HA GLY 1 -0.453 -16.162 3.854 6 H VAL 2 H VAL 2 -3.724 -15.921 3.814 7 HA VAL 2 HA VAL 2 -4.186 -14.132 1.645 8 HB VAL 2 HB VAL 2 -6.234 -13.562 3.178 9 HG11 VAL 2 1HG1 VAL 2 -5.649 -16.240 1.905 10 HG12 VAL 2 2HG1 VAL 2 -6.547 -14.886 1.217 11 HG13 VAL 2 3HG1 VAL 2 -7.243 -15.826 2.539 12 HG21 VAL 2 1HG2 VAL 2 -6.678 -15.092 4.940 13 HG22 VAL 2 2HG2 VAL 2 -4.995 -14.622 5.173 14 HG23 VAL 2 3HG2 VAL 2 -5.383 -16.175 4.432 15 H VAL 3 H VAL 3 -3.214 -13.756 5.005 16 HA VAL 3 HA VAL 3 -3.660 -11.020 5.348 17 HB VAL 3 HB VAL 3 -1.411 -12.725 6.446 18 HG11 VAL 3 1HG1 VAL 3 -0.817 -10.425 6.751 19 HG12 VAL 3 2HG1 VAL 3 -1.501 -10.962 8.287 20 HG13 VAL 3 3HG1 VAL 3 -2.470 -9.987 7.182 21 HG21 VAL 3 1HG2 VAL 3 -4.222 -12.092 7.372 22 HG22 VAL 3 2HG2 VAL 3 -2.981 -12.687 8.475 23 HG23 VAL 3 3HG2 VAL 3 -3.497 -13.679 7.112 24 H ASP 4 H ASP 4 -0.874 -12.719 3.949 25 HA ASP 4 HA ASP 4 0.819 -10.524 3.579 26 HB2 ASP 4 2HB ASP 4 1.535 -12.854 3.253 27 HB3 ASP 4 1HB ASP 4 0.513 -12.969 1.822 28 H ILE 5 H ILE 5 -1.649 -11.880 1.401 29 HA ILE 5 HA ILE 5 -1.232 -9.931 -0.650 30 HB ILE 5 HB ILE 5 -3.684 -11.636 -0.162 31 HG12 ILE 5 2HG1 ILE 5 -1.214 -12.248 -1.817 32 HG13 ILE 5 1HG1 ILE 5 -1.552 -12.953 -0.235 33 HG21 ILE 5 1HG2 ILE 5 -3.976 -11.379 -2.597 34 HG22 ILE 5 2HG2 ILE 5 -2.531 -10.369 -2.667 35 HG23 ILE 5 3HG2 ILE 5 -3.961 -9.806 -1.800 36 HD11 ILE 5 1HD1 ILE 5 -3.740 -13.795 -1.170 37 HD12 ILE 5 2HD1 ILE 5 -2.312 -14.522 -1.905 38 HD13 ILE 5 3HD1 ILE 5 -3.198 -13.260 -2.761 39 H LEU 6 H LEU 6 -3.669 -10.325 1.914 40 HA LEU 6 HA LEU 6 -5.314 -8.170 1.327 41 HB2 LEU 6 2HB LEU 6 -5.341 -10.000 3.267 42 HB3 LEU 6 1HB LEU 6 -4.633 -8.675 4.194 43 HG LEU 6 HG LEU 6 -7.245 -8.586 2.651 44 HD11 LEU 6 1HD1 LEU 6 -7.328 -9.842 4.787 45 HD12 LEU 6 2HD1 LEU 6 -8.251 -8.342 4.881 46 HD13 LEU 6 3HD1 LEU 6 -6.654 -8.443 5.624 47 HD21 LEU 6 1HD2 LEU 6 -5.626 -6.486 4.095 48 HD22 LEU 6 2HD2 LEU 6 -7.375 -6.330 3.942 49 HD23 LEU 6 3HD2 LEU 6 -6.367 -6.398 2.497 50 H LYS 7 H LYS 7 -2.437 -8.190 3.446 51 HA LYS 7 HA LYS 7 -2.414 -5.517 4.160 52 HB2 LYS 7 2HB LYS 7 -0.874 -7.610 4.759 53 HB3 LYS 7 1HB LYS 7 0.169 -6.875 3.555 54 HG2 LYS 7 2HG LYS 7 0.807 -5.938 5.670 55 HG3 LYS 7 1HG LYS 7 -0.092 -4.684 4.814 56 HD2 LYS 7 2HD LYS 7 -1.704 -4.646 6.400 57 HD3 LYS 7 1HD LYS 7 -1.891 -6.398 6.323 58 HE2 LYS 7 2HE LYS 7 0.041 -6.685 7.821 59 HE3 LYS 7 1HE LYS 7 0.265 -4.936 7.881 60 HZ1 LYS 7 1HZ LYS 7 -2.403 -5.859 8.517 61 HZ2 LYS 7 2HZ LYS 7 -1.449 -4.676 9.278 62 HZ3 LYS 7 3HZ LYS 7 -1.208 -6.321 9.629 63 H GLY 8 H GLY 8 -0.968 -7.085 1.313 64 HA2 GLY 8 2HA GLY 8 0.232 -4.777 0.226 65 HA3 GLY 8 1HA GLY 8 -0.193 -6.224 -0.677 66 H ALA 9 H ALA 9 -3.020 -5.932 0.242 67 HA ALA 9 HA ALA 9 -3.988 -4.442 -1.992 68 HB1 ALA 9 1HB ALA 9 -6.136 -5.137 -1.331 69 HB2 ALA 9 2HB ALA 9 -5.675 -5.252 0.368 70 HB3 ALA 9 3HB ALA 9 -5.089 -6.448 -0.788 71 H ALA 10 H ALA 10 -4.070 -3.879 1.527 72 HA ALA 10 HA ALA 10 -5.362 -1.362 1.378 73 HB1 ALA 10 1HB ALA 10 -4.743 -1.099 3.693 74 HB2 ALA 10 2HB ALA 10 -3.480 -2.321 3.543 75 HB3 ALA 10 3HB ALA 10 -5.176 -2.789 3.438 76 H LYS 11 H LYS 11 -1.976 -2.346 1.347 77 HA LYS 11 HA LYS 11 -0.805 0.197 1.616 78 HB2 LYS 11 2HB LYS 11 0.312 -2.097 1.743 79 HB3 LYS 11 1HB LYS 11 0.353 -2.025 -0.014 80 HG2 LYS 11 2HG LYS 11 1.634 0.049 0.048 81 HG3 LYS 11 1HG LYS 11 1.520 0.091 1.811 82 HD2 LYS 11 2HD LYS 11 2.746 -2.067 1.920 83 HD3 LYS 11 1HD LYS 11 2.912 -2.043 0.164 84 HE2 LYS 11 2HE LYS 11 4.067 -0.064 2.144 85 HE3 LYS 11 1HE LYS 11 4.953 -1.149 1.072 86 HZ1 LYS 11 1HZ LYS 11 3.846 0.046 -0.809 87 HZ2 LYS 11 2HZ LYS 11 4.968 0.971 0.069 88 HZ3 LYS 11 3HZ LYS 11 3.301 1.192 0.316 89 H ASP 12 H ASP 12 -2.197 -1.465 -1.119 90 HA ASP 12 HA ASP 12 -1.076 -0.001 -3.225 91 HB2 ASP 12 2HB ASP 12 -2.535 -2.068 -3.387 92 HB3 ASP 12 1HB ASP 12 -3.926 -1.001 -3.145 93 H ILE 13 H ILE 13 -3.636 0.815 -0.976 94 HA ILE 13 HA ILE 13 -4.539 3.113 -2.474 95 HB ILE 13 HB ILE 13 -5.071 2.192 0.362 96 HG12 ILE 13 2HG1 ILE 13 -7.448 2.076 -0.906 97 HG13 ILE 13 1HG1 ILE 13 -6.399 1.837 -2.301 98 HG21 ILE 13 1HG2 ILE 13 -5.347 4.553 0.414 99 HG22 ILE 13 2HG2 ILE 13 -6.970 3.911 0.157 100 HG23 ILE 13 3HG2 ILE 13 -6.062 4.584 -1.198 101 HD11 ILE 13 1HD1 ILE 13 -6.691 0.126 0.157 102 HD12 ILE 13 2HD1 ILE 13 -5.203 0.071 -0.787 103 HD13 ILE 13 3HD1 ILE 13 -6.739 -0.354 -1.539 104 H ALA 14 H ALA 14 -2.522 2.555 0.395 105 HA ALA 14 HA ALA 14 -1.986 5.357 0.787 106 HB1 ALA 14 1HB ALA 14 -0.257 4.478 2.402 107 HB2 ALA 14 2HB ALA 14 -0.756 2.850 1.944 108 HB3 ALA 14 3HB ALA 14 -1.905 3.940 2.719 109 H GLY 15 H GLY 15 -0.587 2.767 -1.046 110 HA2 GLY 15 2HA GLY 15 2.022 3.872 -1.377 111 HA3 GLY 15 1HA GLY 15 1.285 2.620 -2.383 112 H HIS 16 H HIS 16 -0.842 3.810 -3.523 113 HA HIS 16 HA HIS 16 0.166 5.215 -5.668 114 HB2 HIS 16 2HB HIS 16 -1.990 5.295 -6.393 115 HB3 HIS 16 1HB HIS 16 -2.289 4.254 -5.006 116 HD2 HIS 16 2HD HIS 16 -4.312 5.276 -3.450 117 HE1 HIS 16 1HE HIS 16 -3.804 9.363 -4.373 118 HE2 HIS 16 2HE HIS 16 -5.197 7.700 -3.055 119 H LEU 17 H LEU 17 -1.222 6.535 -2.680 120 HA LEU 17 HA LEU 17 -0.947 9.258 -3.415 121 HB2 LEU 17 2HB LEU 17 -2.400 8.274 -1.558 122 HB3 LEU 17 1HB LEU 17 -0.915 8.232 -0.605 123 HG LEU 17 HG LEU 17 -0.696 10.750 -1.394 124 HD11 LEU 17 1HD1 LEU 17 -2.946 11.814 -1.534 125 HD12 LEU 17 2HD1 LEU 17 -3.678 10.210 -1.570 126 HD13 LEU 17 3HD1 LEU 17 -2.632 10.733 -2.890 127 HD21 LEU 17 1HD2 LEU 17 -2.105 11.398 0.629 128 HD22 LEU 17 2HD2 LEU 17 -0.855 10.191 0.934 129 HD23 LEU 17 3HD2 LEU 17 -2.539 9.695 0.766 130 H ALA 18 H ALA 18 0.991 7.218 -1.232 131 HA ALA 18 HA ALA 18 3.014 9.135 -0.779 132 HB1 ALA 18 1HB ALA 18 2.562 7.052 0.588 133 HB2 ALA 18 2HB ALA 18 4.260 7.356 0.221 134 HB3 ALA 18 3HB ALA 18 3.365 6.137 -0.687 135 H SER 19 H SER 19 2.284 7.266 -3.521 136 HA SER 19 HA SER 19 4.768 6.676 -4.620 137 HB2 SER 19 2HB SER 19 3.602 6.202 -6.524 138 HB3 SER 19 1HB SER 19 2.225 6.351 -5.442 139 HG SER 19 HG SER 19 2.332 8.674 -6.057 140 H LYS 20 H LYS 20 2.962 9.721 -4.628 141 HA LYS 20 HA LYS 20 4.930 11.044 -6.290 142 HB2 LYS 20 2HB LYS 20 3.545 13.043 -5.956 143 HB3 LYS 20 1HB LYS 20 2.572 11.667 -6.480 144 HG2 LYS 20 2HG LYS 20 1.314 11.813 -4.613 145 HG3 LYS 20 1HG LYS 20 2.756 11.610 -3.622 146 HD2 LYS 20 2HD LYS 20 3.207 14.020 -3.733 147 HD3 LYS 20 1HD LYS 20 1.809 14.247 -4.785 148 HE2 LYS 20 2HE LYS 20 0.937 14.790 -2.680 149 HE3 LYS 20 1HE LYS 20 0.482 13.094 -2.841 150 HZ1 LYS 20 1HZ LYS 20 2.189 14.308 -0.937 151 HZ2 LYS 20 2HZ LYS 20 3.036 13.109 -1.793 152 HZ3 LYS 20 3HZ LYS 20 1.595 12.720 -0.980 153 H VAL 21 H VAL 21 4.390 10.518 -2.929 154 HA VAL 21 HA VAL 21 5.726 12.779 -1.898 155 HB VAL 21 HB VAL 21 5.340 10.020 -0.730 156 HG11 VAL 21 1HG1 VAL 21 7.181 10.989 0.443 157 HG12 VAL 21 2HG1 VAL 21 5.764 11.295 1.449 158 HG13 VAL 21 3HG1 VAL 21 6.430 12.584 0.447 159 HG21 VAL 21 1HG2 VAL 21 3.921 12.641 -0.163 160 HG22 VAL 21 2HG2 VAL 21 3.504 11.051 0.478 161 HG23 VAL 21 3HG2 VAL 21 3.292 11.394 -1.240 162 H MET 22 H MET 22 6.838 9.722 -3.130 163 HA MET 22 HA MET 22 9.471 9.778 -2.111 164 HB2 MET 22 2HB MET 22 8.582 8.585 -4.747 165 HB3 MET 22 1HB MET 22 9.980 8.111 -3.772 166 HG2 MET 22 2HG MET 22 8.257 7.643 -1.895 167 HG3 MET 22 1HG MET 22 7.050 7.693 -3.181 168 HE1 MET 22 1HE MET 22 6.278 5.135 -2.882 169 HE2 MET 22 2HE MET 22 7.244 5.390 -1.430 170 HE3 MET 22 3HE MET 22 7.465 3.923 -2.379 171 H ASN 23 H ASN 23 7.992 11.979 -4.045 172 HA ASN 23 HA ASN 23 10.554 12.897 -5.146 173 HB2 ASN 23 2HB ASN 23 8.575 13.709 -6.976 174 HB3 ASN 23 1HB ASN 23 9.847 12.521 -7.265 175 HD21 ASN 23 1HD2 ASN 23 9.040 10.346 -5.737 176 HD22 ASN 23 2HD2 ASN 23 7.502 9.815 -6.220 177 HN1 NH2 24 HN1 NH2 24 7.119 13.992 -4.966 178 HN2 NH2 24 HN2 NH2 24 7.498 15.522 -4.315 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -4.300 -16.970 0.259 2 H2 GLY 1 2HT GLY 1 -3.308 -17.591 1.491 3 H3 GLY 1 3HT GLY 1 -3.234 -15.943 1.086 4 HA2 GLY 1 2HA GLY 1 -5.839 -16.973 1.894 5 HA3 GLY 1 1HA GLY 1 -4.606 -16.825 3.157 6 H VAL 2 H VAL 2 -6.899 -15.249 3.201 7 HA VAL 2 HA VAL 2 -6.766 -12.756 1.975 8 HB VAL 2 HB VAL 2 -7.720 -13.197 4.778 9 HG11 VAL 2 1HG1 VAL 2 -7.714 -10.877 4.023 10 HG12 VAL 2 2HG1 VAL 2 -9.375 -11.464 4.096 11 HG13 VAL 2 3HG1 VAL 2 -8.553 -11.336 2.541 12 HG21 VAL 2 1HG2 VAL 2 -9.052 -13.866 2.143 13 HG22 VAL 2 2HG2 VAL 2 -9.919 -13.761 3.676 14 HG23 VAL 2 3HG2 VAL 2 -8.668 -14.985 3.451 15 H VAL 3 H VAL 3 -5.253 -13.878 4.973 16 HA VAL 3 HA VAL 3 -4.228 -11.461 5.903 17 HB VAL 3 HB VAL 3 -2.808 -14.129 6.051 18 HG11 VAL 3 1HG1 VAL 3 -2.875 -11.710 7.883 19 HG12 VAL 3 2HG1 VAL 3 -1.526 -12.181 6.849 20 HG13 VAL 3 3HG1 VAL 3 -2.001 -13.209 8.202 21 HG21 VAL 3 1HG2 VAL 3 -5.048 -13.000 7.763 22 HG22 VAL 3 2HG2 VAL 3 -4.127 -14.457 8.137 23 HG23 VAL 3 3HG2 VAL 3 -5.157 -14.408 6.706 24 H ASP 4 H ASP 4 -3.056 -13.600 3.370 25 HA ASP 4 HA ASP 4 -0.512 -12.360 3.036 26 HB2 ASP 4 2HB ASP 4 -1.226 -14.662 2.211 27 HB3 ASP 4 1HB ASP 4 -2.064 -13.829 0.904 28 H ILE 5 H ILE 5 -3.543 -12.120 1.164 29 HA ILE 5 HA ILE 5 -2.659 -10.095 -0.587 30 HB ILE 5 HB ILE 5 -5.517 -10.451 0.311 31 HG12 ILE 5 2HG1 ILE 5 -4.715 -12.689 -0.101 32 HG13 ILE 5 1HG1 ILE 5 -5.619 -12.189 -1.530 33 HG21 ILE 5 1HG2 ILE 5 -4.373 -9.877 -2.432 34 HG22 ILE 5 2HG2 ILE 5 -4.795 -8.599 -1.292 35 HG23 ILE 5 3HG2 ILE 5 -6.043 -9.690 -1.895 36 HD11 ILE 5 1HD1 ILE 5 -3.342 -11.400 -2.464 37 HD12 ILE 5 2HD1 ILE 5 -3.633 -13.139 -2.404 38 HD13 ILE 5 3HD1 ILE 5 -2.626 -12.369 -1.177 39 H LEU 6 H LEU 6 -4.373 -9.937 2.520 40 HA LEU 6 HA LEU 6 -4.981 -7.256 2.664 41 HB2 LEU 6 2HB LEU 6 -5.298 -9.213 4.393 42 HB3 LEU 6 1HB LEU 6 -3.783 -8.603 5.066 43 HG LEU 6 HG LEU 6 -6.276 -6.940 4.576 44 HD11 LEU 6 1HD1 LEU 6 -6.441 -8.620 6.439 45 HD12 LEU 6 2HD1 LEU 6 -6.543 -6.946 6.985 46 HD13 LEU 6 3HD1 LEU 6 -5.043 -7.851 7.191 47 HD21 LEU 6 1HD2 LEU 6 -3.504 -6.335 5.595 48 HD22 LEU 6 2HD2 LEU 6 -4.877 -5.374 6.142 49 HD23 LEU 6 3HD2 LEU 6 -4.474 -5.439 4.427 50 H LYS 7 H LYS 7 -1.957 -8.722 3.896 51 HA LYS 7 HA LYS 7 -0.620 -6.384 4.532 52 HB2 LYS 7 2HB LYS 7 -0.044 -8.975 4.780 53 HB3 LYS 7 1HB LYS 7 0.908 -8.650 3.344 54 HG2 LYS 7 2HG LYS 7 2.358 -8.258 5.209 55 HG3 LYS 7 1HG LYS 7 1.910 -6.669 4.589 56 HD2 LYS 7 2HD LYS 7 0.908 -6.111 6.538 57 HD3 LYS 7 1HD LYS 7 -0.051 -7.592 6.518 58 HE2 LYS 7 2HE LYS 7 1.932 -8.829 7.423 59 HE3 LYS 7 1HE LYS 7 2.785 -7.291 7.553 60 HZ1 LYS 7 1HZ LYS 7 1.662 -8.027 9.627 61 HZ2 LYS 7 2HZ LYS 7 0.168 -7.837 8.840 62 HZ3 LYS 7 3HZ LYS 7 1.178 -6.494 9.088 63 H GLY 8 H GLY 8 -0.612 -8.179 1.455 64 HA2 GLY 8 2HA GLY 8 1.143 -6.413 0.104 65 HA3 GLY 8 1HA GLY 8 0.076 -7.583 -0.660 66 H ALA 9 H ALA 9 -2.246 -6.345 0.760 67 HA ALA 9 HA ALA 9 -2.960 -4.477 -1.299 68 HB1 ALA 9 1HB ALA 9 -4.504 -6.102 -0.014 69 HB2 ALA 9 2HB ALA 9 -5.110 -4.480 -0.349 70 HB3 ALA 9 3HB ALA 9 -4.500 -4.879 1.257 71 H ALA 10 H ALA 10 -2.223 -4.223 2.166 72 HA ALA 10 HA ALA 10 -2.754 -1.495 2.500 73 HB1 ALA 10 1HB ALA 10 -1.529 -1.639 4.513 74 HB2 ALA 10 2HB ALA 10 -0.485 -2.915 3.886 75 HB3 ALA 10 3HB ALA 10 -2.170 -3.266 4.274 76 H LYS 11 H LYS 11 0.270 -3.133 1.583 77 HA LYS 11 HA LYS 11 1.893 -0.859 1.387 78 HB2 LYS 11 2HB LYS 11 2.655 -3.249 1.330 79 HB3 LYS 11 1HB LYS 11 2.088 -3.306 -0.332 80 HG2 LYS 11 2HG LYS 11 3.616 -0.985 -0.288 81 HG3 LYS 11 1HG LYS 11 4.525 -2.083 0.754 82 HD2 LYS 11 2HD LYS 11 4.564 -3.779 -1.004 83 HD3 LYS 11 1HD LYS 11 3.558 -2.765 -2.041 84 HE2 LYS 11 2HE LYS 11 6.346 -2.099 -1.052 85 HE3 LYS 11 1HE LYS 11 5.901 -2.537 -2.701 86 HZ1 LYS 11 1HZ LYS 11 4.211 -0.513 -2.158 87 HZ2 LYS 11 2HZ LYS 11 5.685 -0.347 -2.985 88 HZ3 LYS 11 3HZ LYS 11 5.601 -0.025 -1.319 89 H ASP 12 H ASP 12 -0.302 -2.345 -0.937 90 HA ASP 12 HA ASP 12 0.444 -0.863 -3.208 91 HB2 ASP 12 2HB ASP 12 -1.049 -2.887 -3.181 92 HB3 ASP 12 1HB ASP 12 -2.337 -1.853 -2.550 93 H ILE 13 H ILE 13 -1.986 -0.214 -0.697 94 HA ILE 13 HA ILE 13 -3.045 2.139 -1.820 95 HB ILE 13 HB ILE 13 -2.796 1.364 1.097 96 HG12 ILE 13 2HG1 ILE 13 -5.114 1.015 -0.829 97 HG13 ILE 13 1HG1 ILE 13 -3.977 -0.270 -0.426 98 HG21 ILE 13 1HG2 ILE 13 -4.812 2.880 1.295 99 HG22 ILE 13 2HG2 ILE 13 -4.489 3.416 -0.354 100 HG23 ILE 13 3HG2 ILE 13 -3.307 3.716 0.919 101 HD11 ILE 13 1HD1 ILE 13 -5.631 1.241 1.615 102 HD12 ILE 13 2HD1 ILE 13 -4.599 -0.156 1.922 103 HD13 ILE 13 3HD1 ILE 13 -6.064 -0.336 0.957 104 H ALA 14 H ALA 14 -0.312 1.616 0.376 105 HA ALA 14 HA ALA 14 0.253 4.342 0.879 106 HB1 ALA 14 1HB ALA 14 2.385 3.569 1.707 107 HB2 ALA 14 2HB ALA 14 2.221 2.045 0.835 108 HB3 ALA 14 3HB ALA 14 1.151 2.406 2.191 109 H GLY 15 H GLY 15 0.920 2.263 -1.821 110 HA2 GLY 15 2HA GLY 15 3.111 3.646 -2.954 111 HA3 GLY 15 1HA GLY 15 1.980 2.612 -3.833 112 H HIS 16 H HIS 16 -0.367 3.818 -3.776 113 HA HIS 16 HA HIS 16 -0.177 5.901 -5.631 114 HB2 HIS 16 2HB HIS 16 -2.459 5.815 -5.685 115 HB3 HIS 16 1HB HIS 16 -2.199 4.337 -4.761 116 HD2 HIS 16 2HD HIS 16 -3.537 4.359 -2.347 117 HE1 HIS 16 1HE HIS 16 -4.018 8.534 -1.963 118 HE2 HIS 16 2HE HIS 16 -4.553 6.286 -0.910 119 H LEU 17 H LEU 17 -0.787 6.021 -2.136 120 HA LEU 17 HA LEU 17 -1.077 8.809 -1.921 121 HB2 LEU 17 2HB LEU 17 -1.624 7.008 -0.191 122 HB3 LEU 17 1HB LEU 17 0.092 7.071 0.215 123 HG LEU 17 HG LEU 17 -0.335 9.677 0.335 124 HD11 LEU 17 1HD1 LEU 17 -2.621 10.143 1.225 125 HD12 LEU 17 2HD1 LEU 17 -3.087 8.493 0.816 126 HD13 LEU 17 3HD1 LEU 17 -2.643 9.627 -0.459 127 HD21 LEU 17 1HD2 LEU 17 -1.311 7.757 2.475 128 HD22 LEU 17 2HD2 LEU 17 -0.832 9.434 2.742 129 HD23 LEU 17 3HD2 LEU 17 0.365 8.247 2.227 130 H ALA 18 H ALA 18 1.782 6.748 -1.445 131 HA ALA 18 HA ALA 18 3.537 8.916 -0.886 132 HB1 ALA 18 1HB ALA 18 4.348 6.215 -1.951 133 HB2 ALA 18 2HB ALA 18 3.876 6.472 -0.271 134 HB3 ALA 18 3HB ALA 18 5.284 7.306 -0.929 135 H SER 19 H SER 19 2.209 7.688 -3.784 136 HA SER 19 HA SER 19 4.204 8.106 -5.665 137 HB2 SER 19 2HB SER 19 2.542 7.867 -7.210 138 HB3 SER 19 1HB SER 19 1.619 7.360 -5.802 139 HG SER 19 HG SER 19 1.635 9.830 -7.155 140 H LYS 20 H LYS 20 2.006 10.455 -4.178 141 HA LYS 20 HA LYS 20 2.980 12.648 -5.767 142 HB2 LYS 20 2HB LYS 20 1.642 14.028 -4.144 143 HB3 LYS 20 1HB LYS 20 0.719 12.794 -5.003 144 HG2 LYS 20 2HG LYS 20 0.347 11.569 -3.117 145 HG3 LYS 20 1HG LYS 20 1.971 11.866 -2.506 146 HD2 LYS 20 2HD LYS 20 -0.032 14.110 -2.543 147 HD3 LYS 20 1HD LYS 20 -0.088 12.912 -1.251 148 HE2 LYS 20 2HE LYS 20 2.300 13.369 -0.745 149 HE3 LYS 20 1HE LYS 20 2.313 14.608 -2.000 150 HZ1 LYS 20 1HZ LYS 20 0.395 14.642 0.255 151 HZ2 LYS 20 2HZ LYS 20 0.770 15.904 -0.820 152 HZ3 LYS 20 3HZ LYS 20 1.909 15.402 0.337 153 H VAL 21 H VAL 21 3.835 11.157 -2.758 154 HA VAL 21 HA VAL 21 5.200 13.328 -1.582 155 HB VAL 21 HB VAL 21 5.664 10.357 -1.259 156 HG11 VAL 21 1HG1 VAL 21 6.617 11.123 0.966 157 HG12 VAL 21 2HG1 VAL 21 6.598 12.765 0.322 158 HG13 VAL 21 3HG1 VAL 21 7.597 11.529 -0.443 159 HG21 VAL 21 1HG2 VAL 21 4.202 10.544 0.661 160 HG22 VAL 21 2HG2 VAL 21 3.358 11.241 -0.722 161 HG23 VAL 21 3HG2 VAL 21 4.106 12.295 0.477 162 H MET 22 H MET 22 6.041 11.114 -4.097 163 HA MET 22 HA MET 22 8.863 11.443 -3.996 164 HB2 MET 22 2HB MET 22 7.205 10.785 -6.439 165 HB3 MET 22 1HB MET 22 8.902 10.377 -6.144 166 HG2 MET 22 2HG MET 22 8.001 9.119 -4.052 167 HG3 MET 22 1HG MET 22 6.435 9.219 -4.856 168 HE1 MET 22 1HE MET 22 6.876 7.436 -8.165 169 HE2 MET 22 2HE MET 22 7.477 9.086 -8.030 170 HE3 MET 22 3HE MET 22 6.002 8.622 -7.185 171 H ASN 23 H ASN 23 6.517 13.670 -4.542 172 HA ASN 23 HA ASN 23 8.338 15.374 -6.092 173 HB2 ASN 23 2HB ASN 23 5.734 16.165 -6.800 174 HB3 ASN 23 1HB ASN 23 6.913 15.382 -7.854 175 HD21 ASN 23 1HD2 ASN 23 6.990 12.778 -6.897 176 HD22 ASN 23 2HD2 ASN 23 5.450 12.070 -6.963 177 HN1 NH2 24 HN1 NH2 24 5.162 15.573 -4.387 178 HN2 NH2 24 HN2 NH2 24 5.581 16.954 -3.478 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -5.949 -17.157 5.367 2 H2 GLY 1 2HT GLY 1 -5.040 -18.541 5.751 3 H3 GLY 1 3HT GLY 1 -5.756 -18.389 4.218 4 HA2 GLY 1 2HA GLY 1 -3.409 -16.976 5.318 5 HA3 GLY 1 1HA GLY 1 -3.555 -17.865 3.794 6 H VAL 2 H VAL 2 -6.284 -15.980 4.550 7 HA VAL 2 HA VAL 2 -5.999 -14.327 2.269 8 HB VAL 2 HB VAL 2 -7.919 -13.053 3.566 9 HG11 VAL 2 1HG1 VAL 2 -8.452 -14.307 1.619 10 HG12 VAL 2 2HG1 VAL 2 -9.479 -14.982 2.885 11 HG13 VAL 2 3HG1 VAL 2 -8.015 -15.833 2.390 12 HG21 VAL 2 1HG2 VAL 2 -7.238 -14.334 5.699 13 HG22 VAL 2 2HG2 VAL 2 -8.009 -15.733 4.953 14 HG23 VAL 2 3HG2 VAL 2 -8.957 -14.288 5.305 15 H VAL 3 H VAL 3 -5.193 -13.927 5.658 16 HA VAL 3 HA VAL 3 -4.913 -11.166 5.830 17 HB VAL 3 HB VAL 3 -3.147 -13.272 7.101 18 HG11 VAL 3 1HG1 VAL 3 -2.931 -11.474 8.871 19 HG12 VAL 3 2HG1 VAL 3 -3.699 -10.362 7.738 20 HG13 VAL 3 3HG1 VAL 3 -2.145 -11.093 7.338 21 HG21 VAL 3 1HG2 VAL 3 -5.628 -13.539 7.467 22 HG22 VAL 3 2HG2 VAL 3 -5.644 -11.925 8.175 23 HG23 VAL 3 3HG2 VAL 3 -4.722 -13.216 8.944 24 H ASP 4 H ASP 4 -2.721 -13.579 4.475 25 HA ASP 4 HA ASP 4 -0.532 -11.794 4.061 26 HB2 ASP 4 2HB ASP 4 -0.438 -14.335 4.127 27 HB3 ASP 4 1HB ASP 4 -1.104 -14.312 2.496 28 H ILE 5 H ILE 5 -3.067 -13.072 1.908 29 HA ILE 5 HA ILE 5 -2.248 -11.684 -0.410 30 HB ILE 5 HB ILE 5 -5.000 -12.657 0.399 31 HG12 ILE 5 2HG1 ILE 5 -3.005 -13.938 -1.481 32 HG13 ILE 5 1HG1 ILE 5 -3.051 -14.322 0.240 33 HG21 ILE 5 1HG2 ILE 5 -5.290 -11.081 -1.373 34 HG22 ILE 5 2HG2 ILE 5 -5.297 -12.668 -2.142 35 HG23 ILE 5 3HG2 ILE 5 -3.853 -11.658 -2.216 36 HD11 ILE 5 1HD1 ILE 5 -5.467 -14.920 -0.006 37 HD12 ILE 5 2HD1 ILE 5 -4.404 -15.948 -0.968 38 HD13 ILE 5 3HD1 ILE 5 -5.320 -14.656 -1.743 39 H LEU 6 H LEU 6 -4.522 -10.846 2.179 40 HA LEU 6 HA LEU 6 -5.530 -8.469 1.076 41 HB2 LEU 6 2HB LEU 6 -6.014 -9.876 3.353 42 HB3 LEU 6 1HB LEU 6 -5.112 -8.511 4.014 43 HG LEU 6 HG LEU 6 -7.562 -8.314 2.232 44 HD11 LEU 6 1HD1 LEU 6 -7.185 -7.691 5.177 45 HD12 LEU 6 2HD1 LEU 6 -8.039 -9.095 4.538 46 HD13 LEU 6 3HD1 LEU 6 -8.673 -7.473 4.256 47 HD21 LEU 6 1HD2 LEU 6 -5.685 -6.281 3.440 48 HD22 LEU 6 2HD2 LEU 6 -7.361 -5.859 3.084 49 HD23 LEU 6 3HD2 LEU 6 -6.288 -6.379 1.786 50 H LYS 7 H LYS 7 -2.479 -9.208 2.562 51 HA LYS 7 HA LYS 7 -1.655 -6.656 3.363 52 HB2 LYS 7 2HB LYS 7 -0.612 -9.118 3.561 53 HB3 LYS 7 1HB LYS 7 0.332 -8.538 2.202 54 HG2 LYS 7 2HG LYS 7 1.565 -7.971 4.180 55 HG3 LYS 7 1HG LYS 7 0.858 -6.470 3.580 56 HD2 LYS 7 2HD LYS 7 -0.348 -6.201 5.475 57 HD3 LYS 7 1HD LYS 7 -1.003 -7.834 5.341 58 HE2 LYS 7 2HE LYS 7 1.090 -8.727 6.352 59 HE3 LYS 7 1HE LYS 7 1.674 -7.074 6.551 60 HZ1 LYS 7 1HZ LYS 7 -0.982 -7.588 7.587 61 HZ2 LYS 7 2HZ LYS 7 0.300 -6.702 8.265 62 HZ3 LYS 7 3HZ LYS 7 0.269 -8.396 8.396 63 H GLY 8 H GLY 8 -1.078 -8.379 0.290 64 HA2 GLY 8 2HA GLY 8 0.424 -6.537 -1.070 65 HA3 GLY 8 1HA GLY 8 -0.780 -7.555 -1.850 66 H ALA 9 H ALA 9 -2.894 -6.304 -0.153 67 HA ALA 9 HA ALA 9 -3.576 -4.169 -1.964 68 HB1 ALA 9 1HB ALA 9 -5.178 -5.846 -0.836 69 HB2 ALA 9 2HB ALA 9 -5.686 -4.160 -0.914 70 HB3 ALA 9 3HB ALA 9 -5.039 -4.817 0.589 71 H ALA 10 H ALA 10 -2.752 -4.407 1.485 72 HA ALA 10 HA ALA 10 -3.061 -1.706 2.158 73 HB1 ALA 10 1HB ALA 10 -1.730 -2.179 4.088 74 HB2 ALA 10 2HB ALA 10 -0.946 -3.543 3.291 75 HB3 ALA 10 3HB ALA 10 -2.649 -3.644 3.739 76 H LYS 11 H LYS 11 -0.252 -3.452 0.869 77 HA LYS 11 HA LYS 11 1.600 -1.353 0.970 78 HB2 LYS 11 2HB LYS 11 1.993 -3.826 0.423 79 HB3 LYS 11 1HB LYS 11 1.545 -3.388 -1.219 80 HG2 LYS 11 2HG LYS 11 3.289 -1.534 -1.073 81 HG3 LYS 11 1HG LYS 11 3.852 -2.318 0.406 82 HD2 LYS 11 2HD LYS 11 4.349 -4.363 -0.787 83 HD3 LYS 11 1HD LYS 11 3.600 -3.740 -2.258 84 HE2 LYS 11 2HE LYS 11 6.003 -3.500 -2.475 85 HE3 LYS 11 1HE LYS 11 5.304 -1.894 -2.267 86 HZ1 LYS 11 1HZ LYS 11 7.280 -2.304 -0.868 87 HZ2 LYS 11 2HZ LYS 11 6.424 -3.527 -0.056 88 HZ3 LYS 11 3HZ LYS 11 5.896 -1.914 0.032 89 H ASP 12 H ASP 12 -0.837 -2.183 -1.435 90 HA ASP 12 HA ASP 12 -0.035 -0.453 -3.491 91 HB2 ASP 12 2HB ASP 12 -1.838 -2.246 -3.576 92 HB3 ASP 12 1HB ASP 12 -2.908 -1.075 -2.792 93 H ILE 13 H ILE 13 -2.147 0.104 -0.693 94 HA ILE 13 HA ILE 13 -3.001 2.692 -1.304 95 HB ILE 13 HB ILE 13 -2.363 1.626 1.455 96 HG12 ILE 13 2HG1 ILE 13 -4.941 1.403 -0.131 97 HG13 ILE 13 1HG1 ILE 13 -3.788 0.083 0.067 98 HG21 ILE 13 1HG2 ILE 13 -4.331 3.706 0.449 99 HG22 ILE 13 2HG2 ILE 13 -2.854 4.037 1.355 100 HG23 ILE 13 3HG2 ILE 13 -4.183 3.168 2.122 101 HD11 ILE 13 1HD1 ILE 13 -5.406 -0.264 1.774 102 HD12 ILE 13 2HD1 ILE 13 -5.442 1.448 2.195 103 HD13 ILE 13 3HD1 ILE 13 -4.031 0.471 2.598 104 H ALA 14 H ALA 14 -0.081 1.596 0.396 105 HA ALA 14 HA ALA 14 0.915 4.165 1.035 106 HB1 ALA 14 1HB ALA 14 1.685 1.936 1.984 107 HB2 ALA 14 2HB ALA 14 2.965 3.071 1.559 108 HB3 ALA 14 3HB ALA 14 2.597 1.718 0.490 109 H GLY 15 H GLY 15 0.931 2.286 -1.885 110 HA2 GLY 15 2HA GLY 15 3.101 3.567 -3.203 111 HA3 GLY 15 1HA GLY 15 1.796 2.667 -3.986 112 H HIS 16 H HIS 16 -0.434 4.057 -3.427 113 HA HIS 16 HA HIS 16 -0.422 6.172 -5.238 114 HB2 HIS 16 2HB HIS 16 -2.654 6.192 -4.857 115 HB3 HIS 16 1HB HIS 16 -2.349 4.818 -3.797 116 HD2 HIS 16 2HD HIS 16 -3.221 5.294 -1.225 117 HE1 HIS 16 1HE HIS 16 -3.150 9.514 -1.327 118 HE2 HIS 16 2HE HIS 16 -3.728 7.490 0.094 119 H LEU 17 H LEU 17 -0.013 6.196 -1.728 120 HA LEU 17 HA LEU 17 0.030 9.027 -1.463 121 HB2 LEU 17 2HB LEU 17 -0.348 7.193 0.342 122 HB3 LEU 17 1HB LEU 17 1.415 7.185 0.430 123 HG LEU 17 HG LEU 17 1.108 9.815 0.584 124 HD11 LEU 17 1HD1 LEU 17 -1.448 8.869 1.897 125 HD12 LEU 17 2HD1 LEU 17 -1.421 9.503 0.252 126 HD13 LEU 17 3HD1 LEU 17 -0.925 10.527 1.600 127 HD21 LEU 17 1HD2 LEU 17 0.967 9.565 3.083 128 HD22 LEU 17 2HD2 LEU 17 2.154 8.495 2.336 129 HD23 LEU 17 3HD2 LEU 17 0.589 7.859 2.846 130 H ALA 18 H ALA 18 2.549 6.560 -1.774 131 HA ALA 18 HA ALA 18 4.791 8.178 -1.391 132 HB1 ALA 18 1HB ALA 18 5.111 5.822 -1.511 133 HB2 ALA 18 2HB ALA 18 5.939 6.495 -2.915 134 HB3 ALA 18 3HB ALA 18 4.361 5.730 -3.104 135 H SER 19 H SER 19 2.483 8.245 -3.892 136 HA SER 19 HA SER 19 4.092 9.152 -6.039 137 HB2 SER 19 2HB SER 19 2.124 9.284 -7.184 138 HB3 SER 19 1HB SER 19 1.529 8.341 -5.826 139 HG SER 19 HG SER 19 0.407 10.406 -6.472 140 H LYS 20 H LYS 20 2.490 10.774 -3.355 141 HA LYS 20 HA LYS 20 2.820 13.419 -4.360 142 HB2 LYS 20 2HB LYS 20 2.140 14.164 -2.187 143 HB3 LYS 20 1HB LYS 20 1.173 12.746 -2.592 144 HG2 LYS 20 2HG LYS 20 1.865 11.851 -0.633 145 HG3 LYS 20 1HG LYS 20 3.446 11.681 -1.391 146 HD2 LYS 20 2HD LYS 20 4.034 13.976 -0.616 147 HD3 LYS 20 1HD LYS 20 2.482 14.062 0.218 148 HE2 LYS 20 2HE LYS 20 3.182 11.897 1.408 149 HE3 LYS 20 1HE LYS 20 4.803 12.214 0.791 150 HZ1 LYS 20 1HZ LYS 20 3.265 13.656 2.809 151 HZ2 LYS 20 2HZ LYS 20 4.262 14.582 1.791 152 HZ3 LYS 20 3HZ LYS 20 4.930 13.339 2.737 153 H VAL 21 H VAL 21 4.922 11.177 -2.835 154 HA VAL 21 HA VAL 21 6.731 12.933 -1.592 155 HB VAL 21 HB VAL 21 7.299 10.255 -2.875 156 HG11 VAL 21 1HG1 VAL 21 8.799 11.973 -0.887 157 HG12 VAL 21 2HG1 VAL 21 9.374 11.364 -2.440 158 HG13 VAL 21 3HG1 VAL 21 9.125 10.252 -1.094 159 HG21 VAL 21 1HG2 VAL 21 5.453 10.402 -1.093 160 HG22 VAL 21 2HG2 VAL 21 6.730 10.853 0.036 161 HG23 VAL 21 3HG2 VAL 21 6.772 9.281 -0.761 162 H MET 22 H MET 22 6.304 11.984 -4.905 163 HA MET 22 HA MET 22 8.790 12.793 -5.950 164 HB2 MET 22 2HB MET 22 6.119 12.953 -7.361 165 HB3 MET 22 1HB MET 22 7.717 12.780 -8.102 166 HG2 MET 22 2HG MET 22 7.923 10.610 -6.732 167 HG3 MET 22 1HG MET 22 6.187 10.753 -6.463 168 HE1 MET 22 1HE MET 22 4.541 10.503 -9.805 169 HE2 MET 22 2HE MET 22 5.184 12.073 -9.329 170 HE3 MET 22 3HE MET 22 4.495 11.005 -8.109 171 H ASN 23 H ASN 23 6.634 14.612 -4.294 172 HA ASN 23 HA ASN 23 7.667 17.093 -5.441 173 HB2 ASN 23 2HB ASN 23 4.870 17.402 -4.709 174 HB3 ASN 23 1HB ASN 23 5.672 17.829 -6.209 175 HD21 ASN 23 1HD2 ASN 23 3.835 15.363 -4.587 176 HD22 ASN 23 2HD2 ASN 23 3.616 14.370 -5.942 177 HN1 NH2 24 HN1 NH2 24 5.410 15.949 -2.861 178 HN2 NH2 24 HN2 NH2 24 6.139 16.871 -1.626 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -5.677 -17.863 2.940 2 H2 GLY 1 2HT GLY 1 -4.487 -19.029 3.277 3 H3 GLY 1 3HT GLY 1 -4.535 -18.274 1.755 4 HA2 GLY 1 2HA GLY 1 -3.622 -17.203 4.341 5 HA3 GLY 1 1HA GLY 1 -2.835 -17.124 2.757 6 H VAL 2 H VAL 2 -5.634 -15.937 4.597 7 HA VAL 2 HA VAL 2 -6.370 -13.939 2.704 8 HB VAL 2 HB VAL 2 -7.540 -13.015 4.868 9 HG11 VAL 2 1HG1 VAL 2 -8.780 -14.087 3.093 10 HG12 VAL 2 2HG1 VAL 2 -9.286 -14.820 4.615 11 HG13 VAL 2 3HG1 VAL 2 -8.162 -15.672 3.556 12 HG21 VAL 2 1HG2 VAL 2 -7.012 -15.857 5.743 13 HG22 VAL 2 2HG2 VAL 2 -7.723 -14.542 6.677 14 HG23 VAL 2 3HG2 VAL 2 -6.003 -14.518 6.290 15 H VAL 3 H VAL 3 -4.412 -13.939 5.665 16 HA VAL 3 HA VAL 3 -3.971 -11.206 5.935 17 HB VAL 3 HB VAL 3 -2.068 -13.497 6.485 18 HG11 VAL 3 1HG1 VAL 3 -0.761 -11.502 6.457 19 HG12 VAL 3 2HG1 VAL 3 -1.140 -11.789 8.155 20 HG13 VAL 3 3HG1 VAL 3 -2.033 -10.570 7.246 21 HG21 VAL 3 1HG2 VAL 3 -4.312 -13.526 7.642 22 HG22 VAL 3 2HG2 VAL 3 -3.903 -11.965 8.352 23 HG23 VAL 3 3HG2 VAL 3 -2.941 -13.390 8.743 24 H ASP 4 H ASP 4 -2.589 -13.503 3.685 25 HA ASP 4 HA ASP 4 -0.373 -12.006 2.803 26 HB2 ASP 4 2HB ASP 4 -0.922 -14.434 2.276 27 HB3 ASP 4 1HB ASP 4 -2.042 -13.820 1.062 28 H ILE 5 H ILE 5 -3.698 -12.183 1.527 29 HA ILE 5 HA ILE 5 -3.325 -10.293 -0.544 30 HB ILE 5 HB ILE 5 -5.843 -11.066 0.949 31 HG12 ILE 5 2HG1 ILE 5 -4.833 -11.994 -1.752 32 HG13 ILE 5 1HG1 ILE 5 -4.537 -12.886 -0.258 33 HG21 ILE 5 1HG2 ILE 5 -5.354 -9.501 -1.593 34 HG22 ILE 5 2HG2 ILE 5 -6.273 -9.000 -0.174 35 HG23 ILE 5 3HG2 ILE 5 -6.904 -10.263 -1.233 36 HD11 ILE 5 1HD1 ILE 5 -6.891 -13.207 0.112 37 HD12 ILE 5 2HD1 ILE 5 -6.570 -13.651 -1.563 38 HD13 ILE 5 3HD1 ILE 5 -7.306 -12.092 -1.189 39 H LEU 6 H LEU 6 -4.687 -9.946 2.733 40 HA LEU 6 HA LEU 6 -5.354 -7.278 2.721 41 HB2 LEU 6 2HB LEU 6 -5.400 -9.133 4.625 42 HB3 LEU 6 1HB LEU 6 -3.906 -8.333 5.119 43 HG LEU 6 HG LEU 6 -6.601 -6.997 4.720 44 HD11 LEU 6 1HD1 LEU 6 -6.517 -6.648 7.139 45 HD12 LEU 6 2HD1 LEU 6 -4.940 -7.435 7.221 46 HD13 LEU 6 3HD1 LEU 6 -6.371 -8.370 6.786 47 HD21 LEU 6 1HD2 LEU 6 -4.997 -5.370 4.111 48 HD22 LEU 6 2HD2 LEU 6 -3.835 -5.937 5.310 49 HD23 LEU 6 3HD2 LEU 6 -5.274 -5.056 5.823 50 H LYS 7 H LYS 7 -2.170 -8.622 3.646 51 HA LYS 7 HA LYS 7 -0.821 -6.241 4.056 52 HB2 LYS 7 2HB LYS 7 -0.150 -8.812 4.271 53 HB3 LYS 7 1HB LYS 7 0.590 -8.496 2.712 54 HG2 LYS 7 2HG LYS 7 2.266 -8.034 4.366 55 HG3 LYS 7 1HG LYS 7 1.706 -6.471 3.768 56 HD2 LYS 7 2HD LYS 7 0.932 -5.877 5.810 57 HD3 LYS 7 1HD LYS 7 0.045 -7.393 5.970 58 HE2 LYS 7 2HE LYS 7 2.156 -8.524 6.655 59 HE3 LYS 7 1HE LYS 7 2.991 -6.972 6.567 60 HZ1 LYS 7 1HZ LYS 7 2.042 -7.775 8.813 61 HZ2 LYS 7 2HZ LYS 7 0.553 -7.241 8.194 62 HZ3 LYS 7 3HZ LYS 7 1.844 -6.150 8.367 63 H GLY 8 H GLY 8 -1.068 -8.141 1.047 64 HA2 GLY 8 2HA GLY 8 0.419 -6.415 -0.587 65 HA3 GLY 8 1HA GLY 8 -0.801 -7.544 -1.160 66 H ALA 9 H ALA 9 -2.816 -6.215 0.602 67 HA ALA 9 HA ALA 9 -3.794 -4.334 -1.327 68 HB1 ALA 9 1HB ALA 9 -4.876 -4.638 1.467 69 HB2 ALA 9 2HB ALA 9 -5.154 -5.874 0.240 70 HB3 ALA 9 3HB ALA 9 -5.742 -4.230 -0.014 71 H ALA 10 H ALA 10 -2.595 -4.055 2.016 72 HA ALA 10 HA ALA 10 -2.864 -1.272 2.268 73 HB1 ALA 10 1HB ALA 10 -2.377 -2.864 4.137 74 HB2 ALA 10 2HB ALA 10 -1.322 -1.449 4.122 75 HB3 ALA 10 3HB ALA 10 -0.727 -3.001 3.530 76 H LYS 11 H LYS 11 -0.264 -3.257 0.938 77 HA LYS 11 HA LYS 11 1.666 -1.241 0.620 78 HB2 LYS 11 2HB LYS 11 1.867 -3.809 0.329 79 HB3 LYS 11 1HB LYS 11 1.366 -3.484 -1.325 80 HG2 LYS 11 2HG LYS 11 3.227 -1.886 -1.590 81 HG3 LYS 11 1HG LYS 11 3.739 -2.220 0.069 82 HD2 LYS 11 2HD LYS 11 3.985 -4.640 -0.565 83 HD3 LYS 11 1HD LYS 11 3.655 -4.186 -2.238 84 HE2 LYS 11 2HE LYS 11 6.042 -4.239 -2.009 85 HE3 LYS 11 1HE LYS 11 5.581 -2.538 -2.050 86 HZ1 LYS 11 1HZ LYS 11 6.749 -4.071 0.085 87 HZ2 LYS 11 2HZ LYS 11 5.413 -3.143 0.575 88 HZ3 LYS 11 3HZ LYS 11 6.745 -2.394 -0.168 89 H ASP 12 H ASP 12 -0.912 -2.367 -1.531 90 HA ASP 12 HA ASP 12 -0.245 -0.717 -3.734 91 HB2 ASP 12 2HB ASP 12 -1.802 -2.729 -3.725 92 HB3 ASP 12 1HB ASP 12 -3.024 -1.661 -3.023 93 H ILE 13 H ILE 13 -2.263 -0.220 -0.884 94 HA ILE 13 HA ILE 13 -3.387 2.259 -1.752 95 HB ILE 13 HB ILE 13 -3.074 1.073 1.016 96 HG12 ILE 13 2HG1 ILE 13 -5.522 1.272 -0.759 97 HG13 ILE 13 1HG1 ILE 13 -4.487 -0.154 -0.705 98 HG21 ILE 13 1HG2 ILE 13 -4.951 2.719 1.530 99 HG22 ILE 13 2HG2 ILE 13 -4.566 3.503 -0.002 100 HG23 ILE 13 3HG2 ILE 13 -3.360 3.438 1.282 101 HD11 ILE 13 1HD1 ILE 13 -6.536 -0.184 0.834 102 HD12 ILE 13 2HD1 ILE 13 -5.702 1.041 1.791 103 HD13 ILE 13 3HD1 ILE 13 -4.986 -0.557 1.588 104 H ALA 14 H ALA 14 -0.619 1.381 0.286 105 HA ALA 14 HA ALA 14 0.087 4.116 0.844 106 HB1 ALA 14 1HB ALA 14 1.823 1.658 1.138 107 HB2 ALA 14 2HB ALA 14 0.627 2.156 2.335 108 HB3 ALA 14 3HB ALA 14 1.999 3.202 1.972 109 H GLY 15 H GLY 15 0.805 1.796 -1.639 110 HA2 GLY 15 2HA GLY 15 3.236 2.853 -2.607 111 HA3 GLY 15 1HA GLY 15 2.080 1.907 -3.551 112 H HIS 16 H HIS 16 -0.106 3.396 -3.762 113 HA HIS 16 HA HIS 16 0.505 5.314 -5.704 114 HB2 HIS 16 2HB HIS 16 -1.760 5.524 -5.948 115 HB3 HIS 16 1HB HIS 16 -1.767 4.076 -4.945 116 HD2 HIS 16 2HD HIS 16 -3.300 4.389 -2.675 117 HE1 HIS 16 1HE HIS 16 -3.221 8.605 -2.466 118 HE2 HIS 16 2HE HIS 16 -4.153 6.499 -1.396 119 H LEU 17 H LEU 17 -0.362 5.730 -2.286 120 HA LEU 17 HA LEU 17 -0.458 8.476 -2.115 121 HB2 LEU 17 2HB LEU 17 -0.839 6.680 -0.305 122 HB3 LEU 17 1HB LEU 17 0.894 6.834 -0.018 123 HG LEU 17 HG LEU 17 0.368 9.416 0.064 124 HD11 LEU 17 1HD1 LEU 17 -1.897 9.803 1.081 125 HD12 LEU 17 2HD1 LEU 17 -2.316 8.140 0.673 126 HD13 LEU 17 3HD1 LEU 17 -1.964 9.300 -0.607 127 HD21 LEU 17 1HD2 LEU 17 -0.424 7.520 2.297 128 HD22 LEU 17 2HD2 LEU 17 -0.018 9.225 2.499 129 HD23 LEU 17 3HD2 LEU 17 1.212 8.083 1.959 130 H ALA 18 H ALA 18 2.212 6.571 -2.979 131 HA ALA 18 HA ALA 18 4.279 8.294 -1.996 132 HB1 ALA 18 1HB ALA 18 4.502 6.293 -4.244 133 HB2 ALA 18 2HB ALA 18 4.541 5.835 -2.541 134 HB3 ALA 18 3HB ALA 18 5.791 6.893 -3.199 135 H SER 19 H SER 19 2.130 8.426 -4.633 136 HA SER 19 HA SER 19 3.646 9.636 -6.637 137 HB2 SER 19 2HB SER 19 1.648 9.959 -7.680 138 HB3 SER 19 1HB SER 19 1.051 8.912 -6.400 139 HG SER 19 HG SER 19 1.108 11.753 -6.420 140 H LYS 20 H LYS 20 2.228 11.004 -3.718 141 HA LYS 20 HA LYS 20 2.864 13.724 -4.509 142 HB2 LYS 20 2HB LYS 20 1.991 14.321 -2.274 143 HB3 LYS 20 1HB LYS 20 0.852 13.340 -3.198 144 HG2 LYS 20 2HG LYS 20 0.851 11.788 -1.561 145 HG3 LYS 20 1HG LYS 20 2.578 11.565 -1.796 146 HD2 LYS 20 2HD LYS 20 2.177 12.180 0.525 147 HD3 LYS 20 1HD LYS 20 3.006 13.507 -0.288 148 HE2 LYS 20 2HE LYS 20 1.276 14.909 0.097 149 HE3 LYS 20 1HE LYS 20 0.131 13.757 -0.589 150 HZ1 LYS 20 1HZ LYS 20 1.239 13.317 2.102 151 HZ2 LYS 20 2HZ LYS 20 -0.222 12.757 1.440 152 HZ3 LYS 20 3HZ LYS 20 -0.058 14.389 1.885 153 H VAL 21 H VAL 21 4.291 11.163 -2.643 154 HA VAL 21 HA VAL 21 6.068 12.725 -1.093 155 HB VAL 21 HB VAL 21 6.325 9.864 -2.040 156 HG11 VAL 21 1HG1 VAL 21 8.492 10.590 -1.347 157 HG12 VAL 21 2HG1 VAL 21 7.809 9.742 0.042 158 HG13 VAL 21 3HG1 VAL 21 7.829 11.506 0.007 159 HG21 VAL 21 1HG2 VAL 21 5.494 9.368 0.262 160 HG22 VAL 21 2HG2 VAL 21 4.307 10.240 -0.708 161 HG23 VAL 21 3HG2 VAL 21 5.246 11.097 0.515 162 H MET 22 H MET 22 6.107 11.705 -4.400 163 HA MET 22 HA MET 22 8.746 11.672 -5.108 164 HB2 MET 22 2HB MET 22 6.544 13.157 -6.570 165 HB3 MET 22 1HB MET 22 8.083 12.641 -7.274 166 HG2 MET 22 2HG MET 22 7.398 10.268 -6.445 167 HG3 MET 22 1HG MET 22 5.774 10.944 -6.341 168 HE1 MET 22 1HE MET 22 8.491 10.524 -9.961 169 HE2 MET 22 2HE MET 22 8.228 9.153 -8.885 170 HE3 MET 22 3HE MET 22 8.896 10.651 -8.243 171 H ASN 23 H ASN 23 6.830 14.329 -4.036 172 HA ASN 23 HA ASN 23 8.243 16.025 -2.778 173 HB2 ASN 23 2HB ASN 23 9.380 16.128 -5.559 174 HB3 ASN 23 1HB ASN 23 9.480 17.511 -4.476 175 HD21 ASN 23 1HD2 ASN 23 9.479 14.950 -2.430 176 HD22 ASN 23 2HD2 ASN 23 11.145 14.680 -2.291 177 HN1 NH2 24 HN1 NH2 24 5.645 16.039 -3.061 178 HN2 NH2 24 HN2 NH2 24 5.065 17.399 -3.908 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -4.137 -16.590 6.704 2 H2 GLY 1 2HT GLY 1 -3.097 -15.441 6.009 3 H3 GLY 1 3HT GLY 1 -2.927 -17.087 5.625 4 HA2 GLY 1 2HA GLY 1 -4.107 -16.567 3.808 5 HA3 GLY 1 1HA GLY 1 -5.475 -16.687 4.924 6 H VAL 2 H VAL 2 -5.473 -14.516 6.407 7 HA VAL 2 HA VAL 2 -6.257 -12.434 4.625 8 HB VAL 2 HB VAL 2 -6.261 -11.173 6.971 9 HG11 VAL 2 1HG1 VAL 2 -8.108 -13.377 6.039 10 HG12 VAL 2 2HG1 VAL 2 -8.308 -11.637 5.836 11 HG13 VAL 2 3HG1 VAL 2 -8.478 -12.364 7.434 12 HG21 VAL 2 1HG2 VAL 2 -4.938 -13.156 7.947 13 HG22 VAL 2 2HG2 VAL 2 -6.449 -14.061 7.841 14 HG23 VAL 2 3HG2 VAL 2 -6.352 -12.620 8.854 15 H VAL 3 H VAL 3 -3.526 -12.855 6.866 16 HA VAL 3 HA VAL 3 -2.310 -10.372 6.562 17 HB VAL 3 HB VAL 3 -0.977 -13.069 6.902 18 HG11 VAL 3 1HG1 VAL 3 -0.025 -10.220 7.250 19 HG12 VAL 3 2HG1 VAL 3 0.709 -11.501 6.285 20 HG13 VAL 3 3HG1 VAL 3 0.769 -11.578 8.047 21 HG21 VAL 3 1HG2 VAL 3 -2.046 -11.022 8.868 22 HG22 VAL 3 2HG2 VAL 3 -0.992 -12.360 9.326 23 HG23 VAL 3 3HG2 VAL 3 -2.593 -12.686 8.663 24 H ASP 4 H ASP 4 -2.183 -13.220 4.487 25 HA ASP 4 HA ASP 4 -0.132 -12.231 2.760 26 HB2 ASP 4 2HB ASP 4 -0.643 -14.626 2.929 27 HB3 ASP 4 1HB ASP 4 -2.250 -14.336 2.267 28 H ILE 5 H ILE 5 -3.680 -12.419 2.477 29 HA ILE 5 HA ILE 5 -3.861 -11.149 -0.038 30 HB ILE 5 HB ILE 5 -5.866 -11.302 2.223 31 HG12 ILE 5 2HG1 ILE 5 -5.755 -12.898 -0.345 32 HG13 ILE 5 1HG1 ILE 5 -4.976 -13.450 1.138 33 HG21 ILE 5 1HG2 ILE 5 -6.569 -9.519 0.804 34 HG22 ILE 5 2HG2 ILE 5 -7.488 -10.928 0.275 35 HG23 ILE 5 3HG2 ILE 5 -6.086 -10.390 -0.652 36 HD11 ILE 5 1HD1 ILE 5 -7.047 -13.572 2.306 37 HD12 ILE 5 2HD1 ILE 5 -7.360 -14.298 0.728 38 HD13 ILE 5 3HD1 ILE 5 -7.888 -12.648 1.060 39 H LEU 6 H LEU 6 -4.367 -9.835 3.243 40 HA LEU 6 HA LEU 6 -4.886 -7.204 2.641 41 HB2 LEU 6 2HB LEU 6 -4.501 -8.545 4.945 42 HB3 LEU 6 1HB LEU 6 -2.970 -7.668 4.875 43 HG LEU 6 HG LEU 6 -5.734 -6.425 4.683 44 HD11 LEU 6 1HD1 LEU 6 -5.219 -5.484 6.881 45 HD12 LEU 6 2HD1 LEU 6 -3.636 -6.262 6.868 46 HD13 LEU 6 3HD1 LEU 6 -5.099 -7.243 6.950 47 HD21 LEU 6 1HD2 LEU 6 -4.337 -5.018 3.415 48 HD22 LEU 6 2HD2 LEU 6 -2.932 -5.338 4.432 49 HD23 LEU 6 3HD2 LEU 6 -4.236 -4.310 5.027 50 H LYS 7 H LYS 7 -1.745 -8.833 2.746 51 HA LYS 7 HA LYS 7 -0.055 -6.646 2.495 52 HB2 LYS 7 2HB LYS 7 0.327 -9.280 2.710 53 HB3 LYS 7 1HB LYS 7 0.554 -9.135 0.977 54 HG2 LYS 7 2HG LYS 7 2.718 -8.848 1.969 55 HG3 LYS 7 1HG LYS 7 2.188 -7.247 1.450 56 HD2 LYS 7 2HD LYS 7 2.207 -6.469 3.575 57 HD3 LYS 7 1HD LYS 7 1.232 -7.828 4.132 58 HE2 LYS 7 2HE LYS 7 3.398 -7.829 5.281 59 HE3 LYS 7 1HE LYS 7 3.280 -9.235 4.221 60 HZ1 LYS 7 1HZ LYS 7 4.567 -6.684 3.428 61 HZ2 LYS 7 2HZ LYS 7 4.605 -8.161 2.591 62 HZ3 LYS 7 3HZ LYS 7 5.418 -8.001 4.074 63 H GLY 8 H GLY 8 -1.457 -8.658 -0.103 64 HA2 GLY 8 2HA GLY 8 -0.420 -7.186 -2.258 65 HA3 GLY 8 1HA GLY 8 -1.839 -8.221 -2.331 66 H ALA 9 H ALA 9 -3.098 -6.603 -0.159 67 HA ALA 9 HA ALA 9 -4.427 -4.702 -1.871 68 HB1 ALA 9 1HB ALA 9 -4.765 -4.923 1.117 69 HB2 ALA 9 2HB ALA 9 -5.490 -6.087 0.008 70 HB3 ALA 9 3HB ALA 9 -5.941 -4.385 -0.082 71 H ALA 10 H ALA 10 -2.294 -4.521 0.962 72 HA ALA 10 HA ALA 10 -2.303 -1.739 1.298 73 HB1 ALA 10 1HB ALA 10 -1.295 -3.512 2.835 74 HB2 ALA 10 2HB ALA 10 -0.360 -2.030 2.631 75 HB3 ALA 10 3HB ALA 10 0.107 -3.494 1.764 76 H LYS 11 H LYS 11 -0.659 -3.772 -1.012 77 HA LYS 11 HA LYS 11 1.387 -2.079 -1.859 78 HB2 LYS 11 2HB LYS 11 0.844 -4.505 -2.555 79 HB3 LYS 11 1HB LYS 11 -0.176 -3.754 -3.775 80 HG2 LYS 11 2HG LYS 11 1.800 -2.398 -4.519 81 HG3 LYS 11 1HG LYS 11 2.797 -3.334 -3.400 82 HD2 LYS 11 2HD LYS 11 1.943 -5.423 -4.581 83 HD3 LYS 11 1HD LYS 11 1.274 -4.350 -5.811 84 HE2 LYS 11 2HE LYS 11 3.440 -5.019 -6.597 85 HE3 LYS 11 1HE LYS 11 3.599 -3.351 -6.045 86 HZ1 LYS 11 1HZ LYS 11 5.391 -4.417 -5.075 87 HZ2 LYS 11 2HZ LYS 11 4.513 -5.830 -4.733 88 HZ3 LYS 11 3HZ LYS 11 4.246 -4.419 -3.825 89 H ASP 12 H ASP 12 -2.025 -2.160 -2.763 90 HA ASP 12 HA ASP 12 -1.888 -0.276 -4.866 91 HB2 ASP 12 2HB ASP 12 -3.838 -1.683 -4.612 92 HB3 ASP 12 1HB ASP 12 -4.163 -1.013 -3.008 93 H ILE 13 H ILE 13 -2.832 0.139 -1.445 94 HA ILE 13 HA ILE 13 -3.195 2.911 -1.500 95 HB ILE 13 HB ILE 13 -2.329 1.056 0.726 96 HG12 ILE 13 2HG1 ILE 13 -4.688 1.532 1.478 97 HG13 ILE 13 1HG1 ILE 13 -4.939 2.408 -0.032 98 HG21 ILE 13 1HG2 ILE 13 -2.908 4.022 0.742 99 HG22 ILE 13 2HG2 ILE 13 -1.508 3.182 1.410 100 HG23 ILE 13 3HG2 ILE 13 -3.083 3.028 2.189 101 HD11 ILE 13 1HD1 ILE 13 -5.615 -0.125 0.116 102 HD12 ILE 13 2HD1 ILE 13 -3.891 -0.410 -0.112 103 HD13 ILE 13 3HD1 ILE 13 -4.808 0.472 -1.332 104 H ALA 14 H ALA 14 -0.272 0.984 -0.957 105 HA ALA 14 HA ALA 14 1.475 3.048 -0.229 106 HB1 ALA 14 1HB ALA 14 2.104 0.701 -0.035 107 HB2 ALA 14 2HB ALA 14 3.271 1.545 -1.053 108 HB3 ALA 14 3HB ALA 14 2.041 0.515 -1.787 109 H GLY 15 H GLY 15 0.251 2.063 -3.359 110 HA2 GLY 15 2HA GLY 15 2.133 3.468 -4.964 111 HA3 GLY 15 1HA GLY 15 0.532 2.924 -5.478 112 H HIS 16 H HIS 16 -1.260 4.273 -4.153 113 HA HIS 16 HA HIS 16 -1.208 6.868 -5.223 114 HB2 HIS 16 2HB HIS 16 -3.389 6.715 -4.709 115 HB3 HIS 16 1HB HIS 16 -3.060 5.223 -3.834 116 HD2 HIS 16 2HD HIS 16 -2.671 5.581 -0.990 117 HE1 HIS 16 1HE HIS 16 -4.101 9.552 -0.936 118 HE2 HIS 16 2HE HIS 16 -3.445 7.571 0.511 119 H LEU 17 H LEU 17 -0.143 5.605 -2.145 120 HA LEU 17 HA LEU 17 0.077 8.123 -0.827 121 HB2 LEU 17 2HB LEU 17 -0.068 5.792 0.237 122 HB3 LEU 17 1HB LEU 17 1.654 5.681 -0.130 123 HG LEU 17 HG LEU 17 1.831 7.997 1.052 124 HD11 LEU 17 1HD1 LEU 17 -0.462 8.586 1.322 125 HD12 LEU 17 2HD1 LEU 17 0.082 8.109 2.929 126 HD13 LEU 17 3HD1 LEU 17 -0.877 6.994 1.957 127 HD21 LEU 17 1HD2 LEU 17 2.756 5.873 1.932 128 HD22 LEU 17 2HD2 LEU 17 1.189 5.496 2.647 129 HD23 LEU 17 3HD2 LEU 17 2.112 6.882 3.228 130 H ALA 18 H ALA 18 2.527 5.905 -2.160 131 HA ALA 18 HA ALA 18 4.748 7.555 -1.799 132 HB1 ALA 18 1HB ALA 18 5.107 5.274 -2.402 133 HB2 ALA 18 2HB ALA 18 5.721 6.243 -3.742 134 HB3 ALA 18 3HB ALA 18 4.153 5.445 -3.877 135 H SER 19 H SER 19 2.068 8.094 -3.745 136 HA SER 19 HA SER 19 3.259 9.361 -5.983 137 HB2 SER 19 2HB SER 19 1.117 9.649 -6.672 138 HB3 SER 19 1HB SER 19 0.726 8.588 -5.324 139 HG SER 19 HG SER 19 0.767 11.428 -5.356 140 H LYS 20 H LYS 20 2.757 10.348 -2.718 141 HA LYS 20 HA LYS 20 3.075 13.187 -3.385 142 HB2 LYS 20 2HB LYS 20 2.508 13.637 -1.085 143 HB3 LYS 20 1HB LYS 20 1.334 12.498 -1.744 144 HG2 LYS 20 2HG LYS 20 1.828 11.150 0.005 145 HG3 LYS 20 1HG LYS 20 3.375 10.866 -0.791 146 HD2 LYS 20 2HD LYS 20 4.383 12.737 0.421 147 HD3 LYS 20 1HD LYS 20 2.830 13.110 1.173 148 HE2 LYS 20 2HE LYS 20 2.826 11.063 2.406 149 HE3 LYS 20 1HE LYS 20 4.170 10.414 1.465 150 HZ1 LYS 20 1HZ LYS 20 5.195 11.141 3.379 151 HZ2 LYS 20 2HZ LYS 20 4.197 12.506 3.538 152 HZ3 LYS 20 3HZ LYS 20 5.411 12.472 2.351 153 H VAL 21 H VAL 21 4.856 10.483 -2.201 154 HA VAL 21 HA VAL 21 6.831 11.661 -0.650 155 HB VAL 21 HB VAL 21 6.973 9.346 -2.587 156 HG11 VAL 21 1HG1 VAL 21 9.233 10.075 -2.421 157 HG12 VAL 21 2HG1 VAL 21 9.081 8.792 -1.221 158 HG13 VAL 21 3HG1 VAL 21 9.057 10.480 -0.712 159 HG21 VAL 21 1HG2 VAL 21 7.061 9.358 0.438 160 HG22 VAL 21 2HG2 VAL 21 6.728 7.998 -0.636 161 HG23 VAL 21 3HG2 VAL 21 5.540 9.290 -0.454 162 H MET 22 H MET 22 6.188 12.148 -3.977 163 HA MET 22 HA MET 22 8.594 12.659 -5.162 164 HB2 MET 22 2HB MET 22 6.147 14.444 -5.280 165 HB3 MET 22 1HB MET 22 7.482 14.450 -6.443 166 HG2 MET 22 2HG MET 22 6.965 11.900 -6.674 167 HG3 MET 22 1HG MET 22 5.410 12.319 -5.956 168 HE1 MET 22 1HE MET 22 6.551 11.205 -8.889 169 HE2 MET 22 2HE MET 22 5.336 11.836 -9.998 170 HE3 MET 22 3HE MET 22 4.833 11.082 -8.488 171 H ASN 23 H ASN 23 7.005 14.434 -2.657 172 HA ASN 23 HA ASN 23 8.700 15.491 -1.079 173 HB2 ASN 23 2HB ASN 23 9.240 16.878 -3.692 174 HB3 ASN 23 1HB ASN 23 9.596 17.654 -2.153 175 HD21 ASN 23 1HD2 ASN 23 9.956 14.463 -1.487 176 HD22 ASN 23 2HD2 ASN 23 11.606 14.277 -1.814 177 HN1 NH2 24 HN1 NH2 24 6.097 15.457 -0.808 178 HN2 NH2 24 HN2 NH2 24 5.397 17.010 -0.828 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -5.852 -18.671 3.945 2 H2 GLY 1 2HT GLY 1 -4.990 -18.043 2.623 3 H3 GLY 1 3HT GLY 1 -6.485 -17.367 3.066 4 HA2 GLY 1 2HA GLY 1 -5.182 -17.070 5.356 5 HA3 GLY 1 1HA GLY 1 -3.843 -16.955 4.205 6 H VAL 2 H VAL 2 -6.435 -15.307 5.646 7 HA VAL 2 HA VAL 2 -6.976 -13.379 3.620 8 HB VAL 2 HB VAL 2 -7.789 -12.083 5.759 9 HG11 VAL 2 1HG1 VAL 2 -8.935 -14.652 4.658 10 HG12 VAL 2 2HG1 VAL 2 -9.387 -12.998 4.247 11 HG13 VAL 2 3HG1 VAL 2 -9.808 -13.660 5.826 12 HG21 VAL 2 1HG2 VAL 2 -8.081 -13.400 7.713 13 HG22 VAL 2 2HG2 VAL 2 -6.417 -13.707 7.212 14 HG23 VAL 2 3HG2 VAL 2 -7.677 -14.892 6.862 15 H VAL 3 H VAL 3 -4.686 -13.594 6.288 16 HA VAL 3 HA VAL 3 -3.801 -10.957 6.414 17 HB VAL 3 HB VAL 3 -2.129 -13.465 6.708 18 HG11 VAL 3 1HG1 VAL 3 -0.674 -11.574 6.600 19 HG12 VAL 3 2HG1 VAL 3 -0.882 -11.914 8.318 20 HG13 VAL 3 3HG1 VAL 3 -1.769 -10.587 7.567 21 HG21 VAL 3 1HG2 VAL 3 -3.995 -13.654 8.193 22 HG22 VAL 3 2HG2 VAL 3 -3.926 -11.940 8.608 23 HG23 VAL 3 3HG2 VAL 3 -2.665 -13.035 9.175 24 H ASP 4 H ASP 4 -2.977 -13.522 4.141 25 HA ASP 4 HA ASP 4 -0.787 -12.273 2.885 26 HB2 ASP 4 2HB ASP 4 -1.288 -14.630 2.530 27 HB3 ASP 4 1HB ASP 4 -2.821 -14.214 1.765 28 H ILE 5 H ILE 5 -4.229 -12.349 1.933 29 HA ILE 5 HA ILE 5 -4.057 -10.701 -0.305 30 HB ILE 5 HB ILE 5 -6.327 -10.890 1.691 31 HG12 ILE 5 2HG1 ILE 5 -5.987 -12.365 -0.930 32 HG13 ILE 5 1HG1 ILE 5 -5.456 -13.045 0.608 33 HG21 ILE 5 1HG2 ILE 5 -6.116 -9.827 -1.133 34 HG22 ILE 5 2HG2 ILE 5 -6.719 -8.992 0.299 35 HG23 ILE 5 3HG2 ILE 5 -7.657 -10.302 -0.418 36 HD11 ILE 5 1HD1 ILE 5 -8.276 -12.193 -0.107 37 HD12 ILE 5 2HD1 ILE 5 -7.773 -12.732 1.496 38 HD13 ILE 5 3HD1 ILE 5 -7.705 -13.844 0.129 39 H LEU 6 H LEU 6 -4.607 -9.815 3.095 40 HA LEU 6 HA LEU 6 -4.934 -7.063 2.764 41 HB2 LEU 6 2HB LEU 6 -4.982 -8.700 4.899 42 HB3 LEU 6 1HB LEU 6 -3.381 -7.994 5.131 43 HG LEU 6 HG LEU 6 -5.973 -6.453 4.790 44 HD11 LEU 6 1HD1 LEU 6 -4.135 -6.743 7.187 45 HD12 LEU 6 2HD1 LEU 6 -5.676 -7.582 6.994 46 HD13 LEU 6 3HD1 LEU 6 -5.639 -5.824 7.128 47 HD21 LEU 6 1HD2 LEU 6 -4.352 -4.549 5.539 48 HD22 LEU 6 2HD2 LEU 6 -4.312 -5.069 3.856 49 HD23 LEU 6 3HD2 LEU 6 -3.076 -5.632 4.981 50 H LYS 7 H LYS 7 -1.971 -8.983 3.128 51 HA LYS 7 HA LYS 7 -0.105 -6.942 3.327 52 HB2 LYS 7 2HB LYS 7 0.047 -9.607 3.330 53 HB3 LYS 7 1HB LYS 7 0.532 -9.333 1.667 54 HG2 LYS 7 2HG LYS 7 2.544 -9.326 2.975 55 HG3 LYS 7 1HG LYS 7 2.219 -7.647 2.542 56 HD2 LYS 7 2HD LYS 7 1.979 -7.052 4.713 57 HD3 LYS 7 1HD LYS 7 0.843 -8.370 5.001 58 HE2 LYS 7 2HE LYS 7 2.763 -9.940 5.227 59 HE3 LYS 7 1HE LYS 7 3.870 -8.582 5.022 60 HZ1 LYS 7 1HZ LYS 7 3.564 -9.009 7.345 61 HZ2 LYS 7 2HZ LYS 7 1.874 -8.935 7.192 62 HZ3 LYS 7 3HZ LYS 7 2.812 -7.536 6.967 63 H GLY 8 H GLY 8 -1.241 -8.592 0.370 64 HA2 GLY 8 2HA GLY 8 0.202 -7.029 -1.460 65 HA3 GLY 8 1HA GLY 8 -1.263 -7.927 -1.834 66 H ALA 9 H ALA 9 -2.704 -6.406 0.295 67 HA ALA 9 HA ALA 9 -3.711 -4.310 -1.373 68 HB1 ALA 9 1HB ALA 9 -4.972 -5.685 0.415 69 HB2 ALA 9 2HB ALA 9 -5.326 -3.960 0.301 70 HB3 ALA 9 3HB ALA 9 -4.266 -4.561 1.576 71 H ALA 10 H ALA 10 -1.491 -4.477 1.346 72 HA ALA 10 HA ALA 10 -1.386 -1.739 1.989 73 HB1 ALA 10 1HB ALA 10 -0.405 -3.615 3.345 74 HB2 ALA 10 2HB ALA 10 0.682 -2.245 3.115 75 HB3 ALA 10 3HB ALA 10 0.898 -3.713 2.161 76 H LYS 11 H LYS 11 0.207 -3.637 -0.503 77 HA LYS 11 HA LYS 11 2.149 -1.756 -1.284 78 HB2 LYS 11 2HB LYS 11 1.849 -4.243 -1.965 79 HB3 LYS 11 1HB LYS 11 0.827 -3.583 -3.235 80 HG2 LYS 11 2HG LYS 11 2.688 -2.098 -3.944 81 HG3 LYS 11 1HG LYS 11 3.716 -2.842 -2.716 82 HD2 LYS 11 2HD LYS 11 3.626 -4.973 -3.796 83 HD3 LYS 11 1HD LYS 11 2.318 -4.454 -4.859 84 HE2 LYS 11 2HE LYS 11 4.761 -4.502 -5.793 85 HE3 LYS 11 1HE LYS 11 3.732 -3.120 -6.165 86 HZ1 LYS 11 1HZ LYS 11 6.070 -2.664 -5.299 87 HZ2 LYS 11 2HZ LYS 11 5.472 -3.135 -3.780 88 HZ3 LYS 11 3HZ LYS 11 4.790 -1.806 -4.590 89 H ASP 12 H ASP 12 -1.245 -2.129 -2.121 90 HA ASP 12 HA ASP 12 -1.281 -0.307 -4.292 91 HB2 ASP 12 2HB ASP 12 -3.258 -1.703 -2.588 92 HB3 ASP 12 1HB ASP 12 -3.818 -0.188 -3.301 93 H ILE 13 H ILE 13 -1.626 0.062 -0.805 94 HA ILE 13 HA ILE 13 -2.411 2.829 -0.937 95 HB ILE 13 HB ILE 13 -1.239 1.384 1.443 96 HG12 ILE 13 2HG1 ILE 13 -4.111 1.447 0.459 97 HG13 ILE 13 1HG1 ILE 13 -3.063 0.028 0.488 98 HG21 ILE 13 1HG2 ILE 13 -1.619 3.915 1.431 99 HG22 ILE 13 2HG2 ILE 13 -2.419 3.020 2.723 100 HG23 ILE 13 3HG2 ILE 13 -3.342 3.556 1.318 101 HD11 ILE 13 1HD1 ILE 13 -2.815 0.436 2.999 102 HD12 ILE 13 2HD1 ILE 13 -4.399 -0.123 2.461 103 HD13 ILE 13 3HD1 ILE 13 -4.149 1.580 2.845 104 H ALA 14 H ALA 14 0.592 1.082 -0.174 105 HA ALA 14 HA ALA 14 2.190 3.315 0.407 106 HB1 ALA 14 1HB ALA 14 4.079 1.861 0.062 107 HB2 ALA 14 2HB ALA 14 3.113 0.757 -0.916 108 HB3 ALA 14 3HB ALA 14 2.798 0.909 0.812 109 H GLY 15 H GLY 15 1.235 1.861 -2.642 110 HA2 GLY 15 2HA GLY 15 3.106 3.237 -4.295 111 HA3 GLY 15 1HA GLY 15 1.609 2.468 -4.834 112 H HIS 16 H HIS 16 -0.364 3.808 -3.645 113 HA HIS 16 HA HIS 16 -0.559 6.204 -5.101 114 HB2 HIS 16 2HB HIS 16 -2.710 5.817 -4.589 115 HB3 HIS 16 1HB HIS 16 -2.231 4.635 -3.376 116 HD2 HIS 16 2HD HIS 16 -1.533 5.985 -0.776 117 HE1 HIS 16 1HE HIS 16 -4.179 9.178 -1.570 118 HE2 HIS 16 2HE HIS 16 -2.804 8.032 0.231 119 H LEU 17 H LEU 17 0.512 5.524 -1.834 120 HA LEU 17 HA LEU 17 0.476 8.182 -0.865 121 HB2 LEU 17 2HB LEU 17 0.725 5.929 0.415 122 HB3 LEU 17 1HB LEU 17 2.443 6.149 0.079 123 HG LEU 17 HG LEU 17 2.012 8.586 1.004 124 HD11 LEU 17 1HD1 LEU 17 -0.210 6.957 2.280 125 HD12 LEU 17 2HD1 LEU 17 -0.418 8.359 1.229 126 HD13 LEU 17 3HD1 LEU 17 0.311 8.553 2.823 127 HD21 LEU 17 1HD2 LEU 17 3.549 7.079 2.085 128 HD22 LEU 17 2HD2 LEU 17 2.229 6.070 2.679 129 HD23 LEU 17 3HD2 LEU 17 2.464 7.690 3.335 130 H ALA 18 H ALA 18 3.235 6.187 -1.931 131 HA ALA 18 HA ALA 18 5.137 8.246 -1.898 132 HB1 ALA 18 1HB ALA 18 5.822 5.931 -2.020 133 HB2 ALA 18 2HB ALA 18 6.429 6.773 -3.445 134 HB3 ALA 18 3HB ALA 18 5.012 5.732 -3.573 135 H SER 19 H SER 19 2.479 7.833 -3.929 136 HA SER 19 HA SER 19 3.497 8.818 -6.378 137 HB2 SER 19 2HB SER 19 1.368 8.547 -7.103 138 HB3 SER 19 1HB SER 19 1.118 7.758 -5.551 139 HG SER 19 HG SER 19 0.718 10.036 -4.808 140 H LYS 20 H LYS 20 2.249 10.397 -3.486 141 HA LYS 20 HA LYS 20 2.463 13.024 -4.775 142 HB2 LYS 20 2HB LYS 20 1.285 13.896 -2.853 143 HB3 LYS 20 1HB LYS 20 0.422 12.488 -3.469 144 HG2 LYS 20 2HG LYS 20 0.581 11.550 -1.423 145 HG3 LYS 20 1HG LYS 20 2.328 11.489 -1.645 146 HD2 LYS 20 2HD LYS 20 2.570 13.723 -0.687 147 HD3 LYS 20 1HD LYS 20 0.818 13.875 -0.544 148 HE2 LYS 20 2HE LYS 20 0.892 11.771 0.905 149 HE3 LYS 20 1HE LYS 20 2.642 11.985 0.953 150 HZ1 LYS 20 1HZ LYS 20 1.362 14.439 1.496 151 HZ2 LYS 20 2HZ LYS 20 2.411 13.544 2.487 152 HZ3 LYS 20 3HZ LYS 20 0.740 13.246 2.529 153 H VAL 21 H VAL 21 4.172 10.967 -2.627 154 HA VAL 21 HA VAL 21 5.535 12.778 -1.004 155 HB VAL 21 HB VAL 21 6.439 10.147 -2.190 156 HG11 VAL 21 1HG1 VAL 21 8.092 10.255 -0.227 157 HG12 VAL 21 2HG1 VAL 21 7.741 11.982 -0.170 158 HG13 VAL 21 3HG1 VAL 21 8.457 11.276 -1.619 159 HG21 VAL 21 1HG2 VAL 21 5.891 9.298 0.048 160 HG22 VAL 21 2HG2 VAL 21 4.485 10.106 -0.645 161 HG23 VAL 21 3HG2 VAL 21 5.458 10.924 0.577 162 H MET 22 H MET 22 5.721 12.392 -4.397 163 HA MET 22 HA MET 22 8.299 12.983 -5.095 164 HB2 MET 22 2HB MET 22 5.842 14.337 -6.243 165 HB3 MET 22 1HB MET 22 7.414 14.169 -7.039 166 HG2 MET 22 2HG MET 22 7.120 11.636 -6.712 167 HG3 MET 22 1HG MET 22 5.436 11.995 -6.337 168 HE1 MET 22 1HE MET 22 7.445 10.628 -9.062 169 HE2 MET 22 2HE MET 22 5.986 10.506 -10.044 170 HE3 MET 22 3HE MET 22 5.931 10.067 -8.338 171 H ASN 23 H ASN 23 5.954 15.004 -3.562 172 HA ASN 23 HA ASN 23 7.066 16.649 -1.975 173 HB2 ASN 23 2HB ASN 23 8.130 17.475 -4.662 174 HB3 ASN 23 1HB ASN 23 7.998 18.624 -3.336 175 HD21 ASN 23 1HD2 ASN 23 8.480 15.777 -1.793 176 HD22 ASN 23 2HD2 ASN 23 10.170 15.780 -1.684 177 HN1 NH2 24 HN1 NH2 24 4.496 16.262 -2.315 178 HN2 NH2 24 HN2 NH2 24 3.680 17.642 -2.896 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -6.586 -17.345 5.968 2 H2 GLY 1 2HT GLY 1 -7.432 -16.119 5.152 3 H3 GLY 1 3HT GLY 1 -6.885 -15.866 6.741 4 HA2 GLY 1 2HA GLY 1 -4.598 -15.943 6.031 5 HA3 GLY 1 1HA GLY 1 -5.132 -16.290 4.379 6 H VAL 2 H VAL 2 -5.624 -13.904 6.992 7 HA VAL 2 HA VAL 2 -6.562 -11.851 5.257 8 HB VAL 2 HB VAL 2 -5.940 -10.419 7.329 9 HG11 VAL 2 1HG1 VAL 2 -8.225 -11.187 6.787 10 HG12 VAL 2 2HG1 VAL 2 -7.931 -11.247 8.525 11 HG13 VAL 2 3HG1 VAL 2 -7.887 -12.730 7.571 12 HG21 VAL 2 1HG2 VAL 2 -5.415 -11.578 9.334 13 HG22 VAL 2 2HG2 VAL 2 -4.340 -12.276 8.123 14 HG23 VAL 2 3HG2 VAL 2 -5.792 -13.146 8.619 15 H VAL 3 H VAL 3 -3.413 -12.868 6.401 16 HA VAL 3 HA VAL 3 -1.910 -10.573 5.856 17 HB VAL 3 HB VAL 3 -1.091 -13.474 5.571 18 HG11 VAL 3 1HG1 VAL 3 0.456 -10.879 5.709 19 HG12 VAL 3 2HG1 VAL 3 0.563 -12.146 4.486 20 HG13 VAL 3 3HG1 VAL 3 1.191 -12.432 6.110 21 HG21 VAL 3 1HG2 VAL 3 -0.939 -11.525 7.893 22 HG22 VAL 3 2HG2 VAL 3 -0.202 -13.127 7.876 23 HG23 VAL 3 3HG2 VAL 3 -1.957 -12.961 7.805 24 H ASP 4 H ASP 4 -2.859 -13.253 3.736 25 HA ASP 4 HA ASP 4 -1.405 -12.510 1.458 26 HB2 ASP 4 2HB ASP 4 -2.532 -14.676 1.659 27 HB3 ASP 4 1HB ASP 4 -4.102 -13.874 1.632 28 H ILE 5 H ILE 5 -4.750 -11.697 2.384 29 HA ILE 5 HA ILE 5 -5.263 -10.033 0.145 30 HB ILE 5 HB ILE 5 -6.549 -9.831 2.875 31 HG12 ILE 5 2HG1 ILE 5 -7.240 -11.670 0.558 32 HG13 ILE 5 1HG1 ILE 5 -6.502 -12.185 2.075 33 HG21 ILE 5 1HG2 ILE 5 -7.604 -9.302 0.079 34 HG22 ILE 5 2HG2 ILE 5 -7.061 -8.053 1.200 35 HG23 ILE 5 3HG2 ILE 5 -8.471 -9.037 1.591 36 HD11 ILE 5 1HD1 ILE 5 -9.265 -11.038 1.645 37 HD12 ILE 5 2HD1 ILE 5 -8.516 -11.102 3.241 38 HD13 ILE 5 3HD1 ILE 5 -8.830 -12.594 2.353 39 H LEU 6 H LEU 6 -3.813 -9.462 3.288 40 HA LEU 6 HA LEU 6 -3.877 -6.597 3.102 41 HB2 LEU 6 2HB LEU 6 -3.754 -7.854 5.258 42 HB3 LEU 6 1HB LEU 6 -2.113 -8.348 4.835 43 HG LEU 6 HG LEU 6 -2.624 -5.431 4.617 44 HD11 LEU 6 1HD1 LEU 6 -2.428 -5.104 7.079 45 HD12 LEU 6 2HD1 LEU 6 -2.625 -6.843 7.300 46 HD13 LEU 6 3HD1 LEU 6 -3.941 -5.886 6.621 47 HD21 LEU 6 1HD2 LEU 6 -0.479 -7.117 5.952 48 HD22 LEU 6 2HD2 LEU 6 -0.414 -5.368 5.743 49 HD23 LEU 6 3HD2 LEU 6 -0.385 -6.424 4.333 50 H LYS 7 H LYS 7 -1.602 -9.136 2.231 51 HA LYS 7 HA LYS 7 0.704 -7.627 1.846 52 HB2 LYS 7 2HB LYS 7 0.116 -10.226 1.632 53 HB3 LYS 7 1HB LYS 7 0.057 -9.810 -0.071 54 HG2 LYS 7 2HG LYS 7 2.317 -10.470 0.392 55 HG3 LYS 7 1HG LYS 7 2.330 -8.715 0.219 56 HD2 LYS 7 2HD LYS 7 3.021 -8.432 2.355 57 HD3 LYS 7 1HD LYS 7 1.737 -9.478 2.961 58 HE2 LYS 7 2HE LYS 7 3.110 -11.467 2.363 59 HE3 LYS 7 1HE LYS 7 4.407 -10.390 1.846 60 HZ1 LYS 7 1HZ LYS 7 3.535 -9.641 4.415 61 HZ2 LYS 7 2HZ LYS 7 5.068 -10.192 3.933 62 HZ3 LYS 7 3HZ LYS 7 3.876 -11.302 4.417 63 H GLY 8 H GLY 8 -1.798 -8.499 -0.549 64 HA2 GLY 8 2HA GLY 8 -0.700 -6.943 -2.645 65 HA3 GLY 8 1HA GLY 8 -2.337 -7.579 -2.591 66 H ALA 9 H ALA 9 -2.751 -6.204 0.030 67 HA ALA 9 HA ALA 9 -3.896 -3.798 -0.984 68 HB1 ALA 9 1HB ALA 9 -3.417 -4.547 1.908 69 HB2 ALA 9 2HB ALA 9 -4.794 -5.103 0.957 70 HB3 ALA 9 3HB ALA 9 -4.591 -3.384 1.292 71 H ALA 10 H ALA 10 -1.128 -4.445 1.165 72 HA ALA 10 HA ALA 10 -0.367 -1.786 1.610 73 HB1 ALA 10 1HB ALA 10 1.315 -4.298 1.484 74 HB2 ALA 10 2HB ALA 10 0.585 -3.583 2.921 75 HB3 ALA 10 3HB ALA 10 1.892 -2.744 2.086 76 H LYS 11 H LYS 11 0.602 -4.051 -0.950 77 HA LYS 11 HA LYS 11 2.477 -2.384 -2.216 78 HB2 LYS 11 2HB LYS 11 1.951 -4.900 -2.575 79 HB3 LYS 11 1HB LYS 11 0.777 -4.302 -3.739 80 HG2 LYS 11 2HG LYS 11 2.545 -3.059 -4.918 81 HG3 LYS 11 1HG LYS 11 3.733 -3.642 -3.745 82 HD2 LYS 11 2HD LYS 11 2.995 -6.008 -4.414 83 HD3 LYS 11 1HD LYS 11 2.182 -5.249 -5.783 84 HE2 LYS 11 2HE LYS 11 5.137 -5.055 -5.126 85 HE3 LYS 11 1HE LYS 11 4.423 -5.967 -6.456 86 HZ1 LYS 11 1HZ LYS 11 3.385 -3.496 -6.789 87 HZ2 LYS 11 2HZ LYS 11 4.732 -4.109 -7.623 88 HZ3 LYS 11 3HZ LYS 11 4.950 -3.147 -6.239 89 H ASP 12 H ASP 12 -1.018 -2.672 -2.567 90 HA ASP 12 HA ASP 12 -1.211 -0.946 -4.840 91 HB2 ASP 12 2HB ASP 12 -2.964 -2.575 -4.325 92 HB3 ASP 12 1HB ASP 12 -3.299 -1.748 -2.797 93 H ILE 13 H ILE 13 -1.629 -0.493 -1.343 94 HA ILE 13 HA ILE 13 -2.378 2.252 -1.516 95 HB ILE 13 HB ILE 13 -1.211 0.666 0.782 96 HG12 ILE 13 2HG1 ILE 13 -4.075 1.522 0.309 97 HG13 ILE 13 1HG1 ILE 13 -3.455 -0.035 -0.242 98 HG21 ILE 13 1HG2 ILE 13 -0.855 2.993 1.239 99 HG22 ILE 13 2HG2 ILE 13 -2.305 2.529 2.129 100 HG23 ILE 13 3HG2 ILE 13 -2.446 3.425 0.616 101 HD11 ILE 13 1HD1 ILE 13 -2.785 -0.582 2.076 102 HD12 ILE 13 2HD1 ILE 13 -4.516 -0.264 1.967 103 HD13 ILE 13 3HD1 ILE 13 -3.433 0.965 2.622 104 H ALA 14 H ALA 14 0.696 0.627 -0.737 105 HA ALA 14 HA ALA 14 2.301 2.795 -0.202 106 HB1 ALA 14 1HB ALA 14 3.093 0.391 -1.863 107 HB2 ALA 14 2HB ALA 14 3.039 0.427 -0.101 108 HB3 ALA 14 3HB ALA 14 4.183 1.451 -0.969 109 H GLY 15 H GLY 15 0.917 1.846 -3.244 110 HA2 GLY 15 2HA GLY 15 2.675 3.375 -4.919 111 HA3 GLY 15 1HA GLY 15 1.111 2.695 -5.384 112 H HIS 16 H HIS 16 -0.794 3.853 -4.186 113 HA HIS 16 HA HIS 16 -0.923 6.488 -5.134 114 HB2 HIS 16 2HB HIS 16 -3.104 6.155 -4.705 115 HB3 HIS 16 1HB HIS 16 -2.684 4.627 -3.939 116 HD2 HIS 16 2HD HIS 16 -2.002 5.023 -1.039 117 HE1 HIS 16 1HE HIS 16 -4.499 8.417 -0.766 118 HE2 HIS 16 2HE HIS 16 -3.216 6.683 0.572 119 H LEU 17 H LEU 17 0.117 5.188 -2.066 120 HA LEU 17 HA LEU 17 0.007 7.589 -0.570 121 HB2 LEU 17 2HB LEU 17 0.309 5.078 0.161 122 HB3 LEU 17 1HB LEU 17 2.018 5.473 0.000 123 HG LEU 17 HG LEU 17 1.366 5.882 2.296 124 HD11 LEU 17 1HD1 LEU 17 2.854 7.552 1.046 125 HD12 LEU 17 2HD1 LEU 17 2.107 8.128 2.536 126 HD13 LEU 17 3HD1 LEU 17 1.436 8.599 0.976 127 HD21 LEU 17 1HD2 LEU 17 -1.133 6.358 1.382 128 HD22 LEU 17 2HD2 LEU 17 -0.588 8.023 1.586 129 HD23 LEU 17 3HD2 LEU 17 -0.576 6.917 2.958 130 H ALA 18 H ALA 18 2.816 5.887 -1.964 131 HA ALA 18 HA ALA 18 4.675 7.939 -1.492 132 HB1 ALA 18 1HB ALA 18 5.323 5.631 -2.045 133 HB2 ALA 18 2HB ALA 18 6.085 6.786 -3.139 134 HB3 ALA 18 3HB ALA 18 4.694 5.846 -3.679 135 H SER 19 H SER 19 2.052 7.913 -3.589 136 HA SER 19 HA SER 19 3.064 9.282 -5.837 137 HB2 SER 19 2HB SER 19 0.899 9.295 -6.535 138 HB3 SER 19 1HB SER 19 0.674 8.180 -5.195 139 HG SER 19 HG SER 19 -0.643 9.639 -4.463 140 H LYS 20 H LYS 20 2.038 10.381 -2.664 141 HA LYS 20 HA LYS 20 2.207 13.184 -3.478 142 HB2 LYS 20 2HB LYS 20 1.319 13.704 -1.297 143 HB3 LYS 20 1HB LYS 20 0.357 12.402 -1.999 144 HG2 LYS 20 2HG LYS 20 0.769 11.260 -0.084 145 HG3 LYS 20 1HG LYS 20 2.398 11.044 -0.722 146 HD2 LYS 20 2HD LYS 20 3.129 13.109 0.403 147 HD3 LYS 20 1HD LYS 20 1.498 13.347 1.033 148 HE2 LYS 20 2HE LYS 20 1.631 11.366 2.376 149 HE3 LYS 20 1HE LYS 20 3.114 10.848 1.577 150 HZ1 LYS 20 1HZ LYS 20 3.160 13.475 2.826 151 HZ2 LYS 20 2HZ LYS 20 4.367 12.281 2.757 152 HZ3 LYS 20 3HZ LYS 20 3.097 12.148 3.879 153 H VAL 21 H VAL 21 4.072 10.763 -1.866 154 HA VAL 21 HA VAL 21 5.748 12.402 -0.305 155 HB VAL 21 HB VAL 21 6.314 9.738 -1.623 156 HG11 VAL 21 1HG1 VAL 21 7.813 11.359 0.446 157 HG12 VAL 21 2HG1 VAL 21 8.428 10.704 -1.073 158 HG13 VAL 21 3HG1 VAL 21 8.041 9.619 0.263 159 HG21 VAL 21 1HG2 VAL 21 5.793 8.843 0.616 160 HG22 VAL 21 2HG2 VAL 21 4.418 9.743 -0.028 161 HG23 VAL 21 3HG2 VAL 21 5.457 10.474 1.196 162 H MET 22 H MET 22 5.579 11.899 -3.707 163 HA MET 22 HA MET 22 8.118 12.310 -4.635 164 HB2 MET 22 2HB MET 22 5.614 13.694 -5.638 165 HB3 MET 22 1HB MET 22 7.122 13.512 -6.545 166 HG2 MET 22 2HG MET 22 6.811 10.960 -6.049 167 HG3 MET 22 1HG MET 22 5.131 11.401 -5.744 168 HE1 MET 22 1HE MET 22 8.110 11.844 -7.878 169 HE2 MET 22 2HE MET 22 7.578 11.819 -9.558 170 HE3 MET 22 3HE MET 22 7.585 10.327 -8.621 171 H ASN 23 H ASN 23 6.026 14.511 -3.000 172 HA ASN 23 HA ASN 23 7.358 16.164 -1.601 173 HB2 ASN 23 2HB ASN 23 8.197 16.822 -4.412 174 HB3 ASN 23 1HB ASN 23 8.245 18.032 -3.135 175 HD21 ASN 23 1HD2 ASN 23 8.737 15.228 -1.517 176 HD22 ASN 23 2HD2 ASN 23 10.428 15.151 -1.561 177 HN1 NH2 24 HN1 NH2 24 4.758 15.891 -1.671 178 HN2 NH2 24 HN2 NH2 24 3.949 17.280 -2.239 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -1.913 -16.015 6.668 2 H2 GLY 1 2HT GLY 1 -2.576 -15.269 5.294 3 H3 GLY 1 3HT GLY 1 -3.018 -16.860 5.698 4 HA2 GLY 1 2HA GLY 1 -4.714 -16.102 6.871 5 HA3 GLY 1 1HA GLY 1 -3.557 -15.276 7.927 6 H VAL 2 H VAL 2 -4.492 -13.306 8.202 7 HA VAL 2 HA VAL 2 -5.849 -11.880 6.141 8 HB VAL 2 HB VAL 2 -5.449 -9.956 7.892 9 HG11 VAL 2 1HG1 VAL 2 -7.269 -11.026 9.337 10 HG12 VAL 2 2HG1 VAL 2 -7.126 -12.438 8.290 11 HG13 VAL 2 3HG1 VAL 2 -7.628 -10.888 7.615 12 HG21 VAL 2 1HG2 VAL 2 -4.984 -12.364 9.653 13 HG22 VAL 2 2HG2 VAL 2 -4.822 -10.658 10.069 14 HG23 VAL 2 3HG2 VAL 2 -3.640 -11.422 9.006 15 H VAL 3 H VAL 3 -2.551 -11.972 7.321 16 HA VAL 3 HA VAL 3 -1.585 -9.573 6.238 17 HB VAL 3 HB VAL 3 -0.168 -12.221 6.619 18 HG11 VAL 3 1HG1 VAL 3 1.142 -10.904 5.104 19 HG12 VAL 3 2HG1 VAL 3 1.866 -10.688 6.697 20 HG13 VAL 3 3HG1 VAL 3 0.835 -9.429 6.019 21 HG21 VAL 3 1HG2 VAL 3 -1.008 -11.409 8.720 22 HG22 VAL 3 2HG2 VAL 3 -0.531 -9.754 8.341 23 HG23 VAL 3 3HG2 VAL 3 0.700 -10.975 8.664 24 H ASP 4 H ASP 4 -2.120 -12.733 4.771 25 HA ASP 4 HA ASP 4 -0.766 -12.216 2.329 26 HB2 ASP 4 2HB ASP 4 -1.510 -14.476 3.233 27 HB3 ASP 4 1HB ASP 4 -3.131 -14.060 2.679 28 H ILE 5 H ILE 5 -4.194 -11.977 3.261 29 HA ILE 5 HA ILE 5 -5.165 -11.102 0.764 30 HB ILE 5 HB ILE 5 -6.213 -10.574 3.555 31 HG12 ILE 5 2HG1 ILE 5 -7.186 -12.574 1.503 32 HG13 ILE 5 1HG1 ILE 5 -5.956 -12.984 2.699 33 HG21 ILE 5 1HG2 ILE 5 -8.392 -10.256 2.282 34 HG22 ILE 5 2HG2 ILE 5 -7.426 -10.170 0.809 35 HG23 ILE 5 3HG2 ILE 5 -7.210 -8.964 2.078 36 HD11 ILE 5 1HD1 ILE 5 -8.732 -11.933 3.324 37 HD12 ILE 5 2HD1 ILE 5 -7.500 -12.352 4.515 38 HD13 ILE 5 3HD1 ILE 5 -8.208 -13.608 3.499 39 H LEU 6 H LEU 6 -3.900 -9.331 3.557 40 HA LEU 6 HA LEU 6 -4.486 -6.731 2.573 41 HB2 LEU 6 2HB LEU 6 -4.026 -7.112 4.934 42 HB3 LEU 6 1HB LEU 6 -2.393 -7.666 4.554 43 HG LEU 6 HG LEU 6 -3.062 -5.008 3.435 44 HD11 LEU 6 1HD1 LEU 6 -4.248 -4.689 5.498 45 HD12 LEU 6 2HD1 LEU 6 -2.674 -3.915 5.695 46 HD13 LEU 6 3HD1 LEU 6 -2.979 -5.493 6.423 47 HD21 LEU 6 1HD2 LEU 6 -0.808 -4.541 4.008 48 HD22 LEU 6 2HD2 LEU 6 -0.790 -6.245 3.560 49 HD23 LEU 6 3HD2 LEU 6 -0.780 -5.782 5.260 50 H LYS 7 H LYS 7 -1.957 -9.020 1.916 51 HA LYS 7 HA LYS 7 0.102 -7.387 1.036 52 HB2 LYS 7 2HB LYS 7 -0.221 -10.030 1.223 53 HB3 LYS 7 1HB LYS 7 -0.537 -9.861 -0.495 54 HG2 LYS 7 2HG LYS 7 1.825 -10.249 -0.251 55 HG3 LYS 7 1HG LYS 7 1.621 -8.548 -0.674 56 HD2 LYS 7 2HD LYS 7 2.494 -7.856 1.299 57 HD3 LYS 7 1HD LYS 7 1.469 -8.964 2.212 58 HE2 LYS 7 2HE LYS 7 3.020 -10.762 1.961 59 HE3 LYS 7 1HE LYS 7 3.930 -9.899 0.719 60 HZ1 LYS 7 1HZ LYS 7 4.441 -8.203 2.439 61 HZ2 LYS 7 2HZ LYS 7 5.118 -9.729 2.752 62 HZ3 LYS 7 3HZ LYS 7 3.737 -9.220 3.600 63 H GLY 8 H GLY 8 -2.563 -8.782 -0.891 64 HA2 GLY 8 2HA GLY 8 -1.890 -7.497 -3.306 65 HA3 GLY 8 1HA GLY 8 -3.474 -8.148 -2.909 66 H ALA 9 H ALA 9 -3.556 -6.417 -0.483 67 HA ALA 9 HA ALA 9 -4.810 -4.134 -1.721 68 HB1 ALA 9 1HB ALA 9 -5.797 -5.136 0.278 69 HB2 ALA 9 2HB ALA 9 -5.327 -3.468 0.606 70 HB3 ALA 9 3HB ALA 9 -4.329 -4.797 1.195 71 H ALA 10 H ALA 10 -1.883 -4.754 0.159 72 HA ALA 10 HA ALA 10 -1.072 -2.102 0.580 73 HB1 ALA 10 1HB ALA 10 0.574 -4.612 0.208 74 HB2 ALA 10 2HB ALA 10 0.018 -3.927 1.736 75 HB3 ALA 10 3HB ALA 10 1.223 -3.072 0.772 76 H LYS 11 H LYS 11 -0.746 -4.223 -2.202 77 HA LYS 11 HA LYS 11 1.152 -2.799 -3.670 78 HB2 LYS 11 2HB LYS 11 0.065 -5.083 -4.159 79 HB3 LYS 11 1HB LYS 11 -1.198 -4.145 -4.939 80 HG2 LYS 11 2HG LYS 11 1.615 -3.477 -5.686 81 HG3 LYS 11 1HG LYS 11 0.973 -5.011 -6.276 82 HD2 LYS 11 2HD LYS 11 -0.984 -3.802 -7.221 83 HD3 LYS 11 1HD LYS 11 -0.275 -2.277 -6.691 84 HE2 LYS 11 2HE LYS 11 0.330 -2.558 -9.000 85 HE3 LYS 11 1HE LYS 11 1.780 -2.879 -8.047 86 HZ1 LYS 11 1HZ LYS 11 1.786 -4.705 -9.371 87 HZ2 LYS 11 2HZ LYS 11 0.097 -4.726 -9.563 88 HZ3 LYS 11 3HZ LYS 11 0.800 -5.307 -8.130 89 H ASP 12 H ASP 12 -2.339 -2.359 -3.392 90 HA ASP 12 HA ASP 12 -2.540 -0.321 -5.377 91 HB2 ASP 12 2HB ASP 12 -4.432 -1.747 -4.437 92 HB3 ASP 12 1HB ASP 12 -4.392 -0.688 -3.021 93 H ILE 13 H ILE 13 -2.031 -0.314 -1.881 94 HA ILE 13 HA ILE 13 -2.271 2.496 -1.524 95 HB ILE 13 HB ILE 13 -0.915 0.338 0.101 96 HG12 ILE 13 2HG1 ILE 13 -3.387 1.984 0.693 97 HG13 ILE 13 1HG1 ILE 13 -3.455 0.436 -0.152 98 HG21 ILE 13 1HG2 ILE 13 -1.168 3.310 0.579 99 HG22 ILE 13 2HG2 ILE 13 0.274 2.303 0.699 100 HG23 ILE 13 3HG2 ILE 13 -0.998 2.171 1.913 101 HD11 ILE 13 1HD1 ILE 13 -2.581 -0.743 1.726 102 HD12 ILE 13 2HD1 ILE 13 -3.795 0.352 2.386 103 HD13 ILE 13 3HD1 ILE 13 -2.081 0.749 2.524 104 H ALA 14 H ALA 14 0.440 0.355 -2.261 105 HA ALA 14 HA ALA 14 2.607 2.007 -1.873 106 HB1 ALA 14 1HB ALA 14 2.151 0.128 -4.203 107 HB2 ALA 14 2HB ALA 14 2.810 -0.319 -2.630 108 HB3 ALA 14 3HB ALA 14 3.714 0.763 -3.690 109 H GLY 15 H GLY 15 0.106 2.256 -4.273 110 HA2 GLY 15 2HA GLY 15 1.541 4.056 -6.013 111 HA3 GLY 15 1HA GLY 15 -0.182 3.671 -6.088 112 H HIS 16 H HIS 16 -1.407 4.539 -4.045 113 HA HIS 16 HA HIS 16 -1.386 7.335 -4.155 114 HB2 HIS 16 2HB HIS 16 -3.312 7.079 -3.015 115 HB3 HIS 16 1HB HIS 16 -2.986 5.348 -2.992 116 HD2 HIS 16 2HD HIS 16 -2.975 4.418 -0.406 117 HE1 HIS 16 1HE HIS 16 -1.670 7.940 1.521 118 HE2 HIS 16 2HE HIS 16 -2.390 5.531 1.882 119 H LEU 17 H LEU 17 0.298 5.099 -2.050 120 HA LEU 17 HA LEU 17 1.097 6.898 -0.044 121 HB2 LEU 17 2HB LEU 17 1.286 4.346 -0.071 122 HB3 LEU 17 1HB LEU 17 2.768 4.605 -0.992 123 HG LEU 17 HG LEU 17 3.326 6.304 0.959 124 HD11 LEU 17 1HD1 LEU 17 2.450 5.460 3.130 125 HD12 LEU 17 2HD1 LEU 17 1.390 4.357 2.253 126 HD13 LEU 17 3HD1 LEU 17 1.168 6.099 2.103 127 HD21 LEU 17 1HD2 LEU 17 4.328 4.338 2.242 128 HD22 LEU 17 2HD2 LEU 17 4.743 4.421 0.531 129 HD23 LEU 17 3HD2 LEU 17 3.513 3.285 1.086 130 H ALA 18 H ALA 18 2.791 5.859 -2.996 131 HA ALA 18 HA ALA 18 5.057 7.507 -2.614 132 HB1 ALA 18 1HB ALA 18 5.210 5.646 -4.121 133 HB2 ALA 18 2HB ALA 18 5.418 7.114 -5.075 134 HB3 ALA 18 3HB ALA 18 3.876 6.259 -5.099 135 H SER 19 H SER 19 1.864 8.265 -3.502 136 HA SER 19 HA SER 19 2.231 10.394 -5.290 137 HB2 SER 19 2HB SER 19 -0.013 10.747 -5.031 138 HB3 SER 19 1HB SER 19 0.073 9.152 -4.299 139 HG SER 19 HG SER 19 0.378 11.583 -2.868 140 H LYS 20 H LYS 20 2.538 10.223 -1.793 141 HA LYS 20 HA LYS 20 2.863 13.129 -1.614 142 HB2 LYS 20 2HB LYS 20 2.757 12.857 0.767 143 HB3 LYS 20 1HB LYS 20 1.458 11.900 0.054 144 HG2 LYS 20 2HG LYS 20 2.279 10.123 1.185 145 HG3 LYS 20 1HG LYS 20 3.647 10.171 0.076 146 HD2 LYS 20 2HD LYS 20 4.851 11.687 1.589 147 HD3 LYS 20 1HD LYS 20 3.474 11.695 2.691 148 HE2 LYS 20 2HE LYS 20 4.803 10.057 3.672 149 HE3 LYS 20 1HE LYS 20 3.797 9.068 2.615 150 HZ1 LYS 20 1HZ LYS 20 5.830 8.333 1.986 151 HZ2 LYS 20 2HZ LYS 20 6.616 9.790 2.367 152 HZ3 LYS 20 3HZ LYS 20 5.720 9.655 0.930 153 H VAL 21 H VAL 21 4.732 10.265 -1.810 154 HA VAL 21 HA VAL 21 7.041 11.040 -0.402 155 HB VAL 21 HB VAL 21 6.683 9.217 -2.787 156 HG11 VAL 21 1HG1 VAL 21 8.970 8.348 -1.991 157 HG12 VAL 21 2HG1 VAL 21 9.117 9.872 -1.118 158 HG13 VAL 21 3HG1 VAL 21 8.969 9.873 -2.875 159 HG21 VAL 21 1HG2 VAL 21 6.858 7.451 -1.122 160 HG22 VAL 21 2HG2 VAL 21 5.609 8.584 -0.603 161 HG23 VAL 21 3HG2 VAL 21 7.207 8.628 0.144 162 H MET 22 H MET 22 5.745 12.123 -3.403 163 HA MET 22 HA MET 22 7.875 12.915 -4.909 164 HB2 MET 22 2HB MET 22 5.482 14.646 -4.225 165 HB3 MET 22 1HB MET 22 6.550 14.860 -5.619 166 HG2 MET 22 2HG MET 22 5.946 12.409 -6.200 167 HG3 MET 22 1HG MET 22 4.611 12.615 -5.065 168 HE1 MET 22 1HE MET 22 5.312 14.579 -9.117 169 HE2 MET 22 2HE MET 22 5.610 12.892 -8.712 170 HE3 MET 22 3HE MET 22 6.547 14.158 -7.922 171 H ASN 23 H ASN 23 6.833 14.141 -1.853 172 HA ASN 23 HA ASN 23 8.809 14.944 -0.471 173 HB2 ASN 23 2HB ASN 23 8.827 16.812 -2.825 174 HB3 ASN 23 1HB ASN 23 9.493 17.291 -1.269 175 HD21 ASN 23 1HD2 ASN 23 9.957 14.051 -1.295 176 HD22 ASN 23 2HD2 ASN 23 11.501 13.975 -1.983 177 HN1 NH2 24 HN1 NH2 24 6.322 14.777 0.303 178 HN2 NH2 24 HN2 NH2 24 5.635 16.284 0.707 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -0.494 -16.101 5.004 2 H2 GLY 1 2HT GLY 1 -0.965 -15.066 3.742 3 H3 GLY 1 3HT GLY 1 -1.047 -16.751 3.539 4 HA2 GLY 1 2HA GLY 1 -3.125 -16.749 4.257 5 HA3 GLY 1 1HA GLY 1 -2.539 -16.134 5.811 6 H VAL 2 H VAL 2 -3.873 -14.494 6.337 7 HA VAL 2 HA VAL 2 -5.115 -12.773 4.436 8 HB VAL 2 HB VAL 2 -5.535 -11.426 6.644 9 HG11 VAL 2 1HG1 VAL 2 -7.260 -13.181 7.306 10 HG12 VAL 2 2HG1 VAL 2 -6.568 -14.204 6.046 11 HG13 VAL 2 3HG1 VAL 2 -7.311 -12.662 5.621 12 HG21 VAL 2 1HG2 VAL 2 -4.781 -14.101 7.826 13 HG22 VAL 2 2HG2 VAL 2 -5.151 -12.599 8.673 14 HG23 VAL 2 3HG2 VAL 2 -3.641 -12.756 7.776 15 H VAL 3 H VAL 3 -2.189 -12.624 6.369 16 HA VAL 3 HA VAL 3 -1.606 -9.903 6.233 17 HB VAL 3 HB VAL 3 0.336 -12.221 6.081 18 HG11 VAL 3 1HG1 VAL 3 0.649 -9.293 6.793 19 HG12 VAL 3 2HG1 VAL 3 1.459 -10.173 5.496 20 HG13 VAL 3 3HG1 VAL 3 1.860 -10.518 7.178 21 HG21 VAL 3 1HG2 VAL 3 0.473 -11.820 8.565 22 HG22 VAL 3 2HG2 VAL 3 -1.093 -12.432 8.033 23 HG23 VAL 3 3HG2 VAL 3 -0.897 -10.721 8.412 24 H ASP 4 H ASP 4 -0.857 -12.485 3.907 25 HA ASP 4 HA ASP 4 0.521 -10.809 2.066 26 HB2 ASP 4 2HB ASP 4 0.671 -13.320 2.166 27 HB3 ASP 4 1HB ASP 4 -0.938 -13.383 1.449 28 H ILE 5 H ILE 5 -2.787 -12.148 2.041 29 HA ILE 5 HA ILE 5 -3.683 -10.903 -0.293 30 HB ILE 5 HB ILE 5 -5.292 -11.532 2.194 31 HG12 ILE 5 2HG1 ILE 5 -4.885 -13.242 -0.273 32 HG13 ILE 5 1HG1 ILE 5 -3.899 -13.419 1.179 33 HG21 ILE 5 1HG2 ILE 5 -6.054 -11.112 -0.711 34 HG22 ILE 5 2HG2 ILE 5 -6.528 -10.110 0.660 35 HG23 ILE 5 3HG2 ILE 5 -7.145 -11.756 0.516 36 HD11 ILE 5 1HD1 ILE 5 -6.920 -13.505 1.260 37 HD12 ILE 5 2HD1 ILE 5 -5.786 -14.023 2.507 38 HD13 ILE 5 3HD1 ILE 5 -5.941 -14.951 1.017 39 H LEU 6 H LEU 6 -3.456 -9.694 3.007 40 HA LEU 6 HA LEU 6 -4.931 -7.290 2.539 41 HB2 LEU 6 2HB LEU 6 -4.602 -8.263 4.793 42 HB3 LEU 6 1HB LEU 6 -2.879 -7.893 4.684 43 HG LEU 6 HG LEU 6 -4.657 -5.596 4.095 44 HD11 LEU 6 1HD1 LEU 6 -4.563 -6.843 6.857 45 HD12 LEU 6 2HD1 LEU 6 -5.997 -6.585 5.862 46 HD13 LEU 6 3HD1 LEU 6 -5.123 -5.204 6.524 47 HD21 LEU 6 1HD2 LEU 6 -2.210 -5.391 4.319 48 HD22 LEU 6 2HD2 LEU 6 -2.299 -6.026 5.962 49 HD23 LEU 6 3HD2 LEU 6 -3.023 -4.465 5.579 50 H LYS 7 H LYS 7 -1.535 -8.207 2.307 51 HA LYS 7 HA LYS 7 -0.327 -5.721 2.162 52 HB2 LYS 7 2HB LYS 7 0.572 -8.227 2.022 53 HB3 LYS 7 1HB LYS 7 0.563 -7.875 0.304 54 HG2 LYS 7 2HG LYS 7 2.736 -7.256 1.118 55 HG3 LYS 7 1HG LYS 7 1.856 -5.753 0.834 56 HD2 LYS 7 2HD LYS 7 1.947 -5.189 3.025 57 HD3 LYS 7 1HD LYS 7 1.349 -6.774 3.514 58 HE2 LYS 7 2HE LYS 7 3.588 -6.410 4.440 59 HE3 LYS 7 1HE LYS 7 3.643 -7.698 3.237 60 HZ1 LYS 7 1HZ LYS 7 4.145 -5.694 1.654 61 HZ2 LYS 7 2HZ LYS 7 5.386 -6.421 2.560 62 HZ3 LYS 7 3HZ LYS 7 4.686 -4.965 3.086 63 H GLY 8 H GLY 8 -1.855 -7.625 -0.421 64 HA2 GLY 8 2HA GLY 8 -1.256 -5.926 -2.569 65 HA3 GLY 8 1HA GLY 8 -2.628 -7.026 -2.507 66 H ALA 9 H ALA 9 -3.569 -5.660 -0.023 67 HA ALA 9 HA ALA 9 -5.243 -3.704 -1.315 68 HB1 ALA 9 1HB ALA 9 -5.060 -4.175 1.657 69 HB2 ALA 9 2HB ALA 9 -5.909 -5.293 0.588 70 HB3 ALA 9 3HB ALA 9 -6.445 -3.618 0.718 71 H ALA 10 H ALA 10 -2.762 -3.603 1.240 72 HA ALA 10 HA ALA 10 -2.830 -0.782 1.554 73 HB1 ALA 10 1HB ALA 10 -0.787 -2.880 2.284 74 HB2 ALA 10 2HB ALA 10 -1.924 -2.053 3.349 75 HB3 ALA 10 3HB ALA 10 -0.567 -1.169 2.652 76 H LYS 11 H LYS 11 -0.886 -2.971 -0.425 77 HA LYS 11 HA LYS 11 1.009 -1.133 -1.361 78 HB2 LYS 11 2HB LYS 11 1.114 -3.600 -1.669 79 HB3 LYS 11 1HB LYS 11 -0.150 -3.445 -2.878 80 HG2 LYS 11 2HG LYS 11 1.801 -1.514 -3.569 81 HG3 LYS 11 1HG LYS 11 2.693 -2.985 -3.173 82 HD2 LYS 11 2HD LYS 11 1.380 -4.271 -4.763 83 HD3 LYS 11 1HD LYS 11 0.336 -2.886 -5.080 84 HE2 LYS 11 2HE LYS 11 3.323 -2.817 -5.552 85 HE3 LYS 11 1HE LYS 11 2.172 -3.291 -6.801 86 HZ1 LYS 11 1HZ LYS 11 1.483 -0.854 -5.427 87 HZ2 LYS 11 2HZ LYS 11 1.509 -1.194 -7.091 88 HZ3 LYS 11 3HZ LYS 11 2.941 -0.760 -6.288 89 H ASP 12 H ASP 12 -2.272 -1.826 -2.422 90 HA ASP 12 HA ASP 12 -2.135 -0.273 -4.817 91 HB2 ASP 12 2HB ASP 12 -4.199 -1.732 -3.278 92 HB3 ASP 12 1HB ASP 12 -4.795 -0.364 -4.221 93 H ILE 13 H ILE 13 -3.297 0.341 -1.519 94 HA ILE 13 HA ILE 13 -4.193 3.007 -2.102 95 HB ILE 13 HB ILE 13 -3.575 1.718 0.567 96 HG12 ILE 13 2HG1 ILE 13 -6.251 2.021 -0.821 97 HG13 ILE 13 1HG1 ILE 13 -5.285 0.547 -0.910 98 HG21 ILE 13 1HG2 ILE 13 -3.703 4.114 0.793 99 HG22 ILE 13 2HG2 ILE 13 -5.242 3.456 1.350 100 HG23 ILE 13 3HG2 ILE 13 -5.124 4.192 -0.249 101 HD11 ILE 13 1HD1 ILE 13 -6.986 0.440 0.902 102 HD12 ILE 13 2HD1 ILE 13 -6.232 1.841 1.662 103 HD13 ILE 13 3HD1 ILE 13 -5.340 0.327 1.526 104 H ALA 14 H ALA 14 -1.443 1.711 -0.230 105 HA ALA 14 HA ALA 14 -0.203 4.217 0.205 106 HB1 ALA 14 1HB ALA 14 1.644 2.988 1.039 107 HB2 ALA 14 2HB ALA 14 1.252 1.579 0.056 108 HB3 ALA 14 3HB ALA 14 0.229 2.011 1.426 109 H GLY 15 H GLY 15 -0.215 2.033 -2.495 110 HA2 GLY 15 2HA GLY 15 2.178 2.797 -3.769 111 HA3 GLY 15 1HA GLY 15 0.751 2.139 -4.580 112 H HIS 16 H HIS 16 -1.157 3.944 -4.348 113 HA HIS 16 HA HIS 16 -0.336 6.041 -6.095 114 HB2 HIS 16 2HB HIS 16 -2.566 6.360 -6.437 115 HB3 HIS 16 1HB HIS 16 -2.708 4.813 -5.605 116 HD2 HIS 16 2HD HIS 16 -4.322 4.961 -3.374 117 HE1 HIS 16 1HE HIS 16 -4.081 9.126 -2.730 118 HE2 HIS 16 2HE HIS 16 -5.153 6.970 -1.926 119 H LEU 17 H LEU 17 -1.254 5.888 -2.683 120 HA LEU 17 HA LEU 17 -1.142 8.653 -2.151 121 HB2 LEU 17 2HB LEU 17 -2.091 6.735 -0.705 122 HB3 LEU 17 1HB LEU 17 -0.431 6.571 -0.130 123 HG LEU 17 HG LEU 17 -0.600 9.184 0.219 124 HD11 LEU 17 1HD1 LEU 17 -2.794 9.480 -0.805 125 HD12 LEU 17 2HD1 LEU 17 -2.918 9.815 0.921 126 HD13 LEU 17 3HD1 LEU 17 -3.497 8.279 0.278 127 HD21 LEU 17 1HD2 LEU 17 -0.215 7.729 2.081 128 HD22 LEU 17 2HD2 LEU 17 -1.839 7.050 1.974 129 HD23 LEU 17 3HD2 LEU 17 -1.613 8.713 2.518 130 H ALA 18 H ALA 18 1.266 6.139 -1.375 131 HA ALA 18 HA ALA 18 3.290 7.907 -0.558 132 HB1 ALA 18 1HB ALA 18 3.789 5.230 -1.856 133 HB2 ALA 18 2HB ALA 18 3.168 5.380 -0.211 134 HB3 ALA 18 3HB ALA 18 4.753 6.039 -0.620 135 H SER 19 H SER 19 2.074 7.244 -3.675 136 HA SER 19 HA SER 19 4.297 7.495 -5.321 137 HB2 SER 19 2HB SER 19 2.788 7.735 -7.028 138 HB3 SER 19 1HB SER 19 1.683 7.168 -5.784 139 HG SER 19 HG SER 19 2.107 9.762 -6.782 140 H LYS 20 H LYS 20 2.527 9.950 -3.540 141 HA LYS 20 HA LYS 20 4.031 12.100 -4.825 142 HB2 LYS 20 2HB LYS 20 2.598 13.592 -3.487 143 HB3 LYS 20 1HB LYS 20 1.652 12.463 -4.458 144 HG2 LYS 20 2HG LYS 20 0.718 11.552 -2.617 145 HG3 LYS 20 1HG LYS 20 2.305 11.280 -1.903 146 HD2 LYS 20 2HD LYS 20 2.361 13.555 -1.036 147 HD3 LYS 20 1HD LYS 20 0.844 13.934 -1.852 148 HE2 LYS 20 2HE LYS 20 0.246 13.461 0.407 149 HE3 LYS 20 1HE LYS 20 -0.191 12.018 -0.508 150 HZ1 LYS 20 1HZ LYS 20 1.232 10.814 0.662 151 HZ2 LYS 20 2HZ LYS 20 1.481 12.155 1.676 152 HZ3 LYS 20 3HZ LYS 20 2.508 11.888 0.349 153 H VAL 21 H VAL 21 4.068 10.185 -1.962 154 HA VAL 21 HA VAL 21 5.441 11.980 -0.253 155 HB VAL 21 HB VAL 21 5.374 8.956 -0.255 156 HG11 VAL 21 1HG1 VAL 21 7.256 9.635 1.054 157 HG12 VAL 21 2HG1 VAL 21 5.952 9.338 2.205 158 HG13 VAL 21 3HG1 VAL 21 6.369 10.991 1.751 159 HG21 VAL 21 1HG2 VAL 21 3.826 10.944 1.432 160 HG22 VAL 21 2HG2 VAL 21 3.601 9.196 1.370 161 HG23 VAL 21 3HG2 VAL 21 3.175 10.189 -0.022 162 H MET 22 H MET 22 6.452 10.058 -2.925 163 HA MET 22 HA MET 22 9.066 9.437 -2.470 164 HB2 MET 22 2HB MET 22 8.037 10.833 -4.957 165 HB3 MET 22 1HB MET 22 9.500 9.844 -4.843 166 HG2 MET 22 2HG MET 22 7.965 7.958 -4.020 167 HG3 MET 22 1HG MET 22 6.623 8.954 -4.579 168 HE1 MET 22 1HE MET 22 7.341 6.010 -5.542 169 HE2 MET 22 2HE MET 22 9.070 6.308 -5.379 170 HE3 MET 22 3HE MET 22 8.403 5.868 -6.950 171 H ASN 23 H ASN 23 7.636 12.560 -2.827 172 HA ASN 23 HA ASN 23 8.861 14.289 -1.422 173 HB2 ASN 23 2HB ASN 23 10.942 13.435 -3.418 174 HB3 ASN 23 1HB ASN 23 10.983 15.030 -2.675 175 HD21 ASN 23 1HD2 ASN 23 9.552 13.167 -0.387 176 HD22 ASN 23 2HD2 ASN 23 10.914 12.686 0.496 177 HN1 NH2 24 HN1 NH2 24 6.657 14.635 -2.794 178 HN2 NH2 24 HN2 NH2 24 6.814 15.786 -4.041
Contact the webmaster for help, if required. Tuesday, May 7, 2024 6:23:56 PM GMT (wattos1)