NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613234 | 5u9y | 30216 | 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 -3.634 18.365 5.832 2 H2 GLY 1 2HT GLY 1 -3.783 18.817 4.200 3 H3 GLY 1 3HT GLY 1 -2.503 19.421 5.140 4 HA2 GLY 1 2HA GLY 1 -1.534 17.754 3.840 5 HA3 GLY 1 1HA GLY 1 -1.767 17.036 5.435 6 H VAL 2 H VAL 2 -4.557 17.703 3.505 7 HA VAL 2 HA VAL 2 -5.610 15.138 3.614 8 HB VAL 2 HB VAL 2 -6.777 16.037 1.352 9 HG11 VAL 2 1HG1 VAL 2 -8.336 17.316 2.891 10 HG12 VAL 2 2HG1 VAL 2 -7.197 16.987 4.198 11 HG13 VAL 2 3HG1 VAL 2 -8.011 15.653 3.381 12 HG21 VAL 2 1HG2 VAL 2 -6.735 18.407 1.181 13 HG22 VAL 2 2HG2 VAL 2 -5.042 17.948 1.370 14 HG23 VAL 2 3HG2 VAL 2 -5.941 18.587 2.746 15 H VAL 3 H VAL 3 -4.106 16.642 0.737 16 HA VAL 3 HA VAL 3 -4.030 14.398 -0.887 17 HB VAL 3 HB VAL 3 -1.987 16.626 -0.707 18 HG11 VAL 3 1HG1 VAL 3 -1.680 16.001 -3.160 19 HG12 VAL 3 2HG1 VAL 3 -2.579 14.527 -2.805 20 HG13 VAL 3 3HG1 VAL 3 -1.045 14.840 -1.995 21 HG21 VAL 3 1HG2 VAL 3 -4.454 16.295 -2.446 22 HG22 VAL 3 2HG2 VAL 3 -3.326 17.651 -2.497 23 HG23 VAL 3 3HG2 VAL 3 -4.325 17.387 -1.067 24 H ASP 4 H ASP 4 -1.880 15.335 1.732 25 HA ASP 4 HA ASP 4 0.146 13.400 1.197 26 HB2 ASP 4 2HB ASP 4 0.350 15.492 2.642 27 HB3 ASP 4 1HB ASP 4 -0.498 14.588 3.895 28 H ILE 5 H ILE 5 -2.854 13.379 3.020 29 HA ILE 5 HA ILE 5 -2.312 10.814 4.255 30 HB ILE 5 HB ILE 5 -4.814 12.512 4.139 31 HG12 ILE 5 2HG1 ILE 5 -2.984 11.954 6.483 32 HG13 ILE 5 1HG1 ILE 5 -2.739 13.331 5.408 33 HG21 ILE 5 1HG2 ILE 5 -4.179 9.908 5.538 34 HG22 ILE 5 2HG2 ILE 5 -5.542 10.267 4.479 35 HG23 ILE 5 3HG2 ILE 5 -5.465 10.982 6.089 36 HD11 ILE 5 1HD1 ILE 5 -5.357 12.777 6.823 37 HD12 ILE 5 2HD1 ILE 5 -4.901 14.239 5.949 38 HD13 ILE 5 3HD1 ILE 5 -4.111 13.840 7.475 39 H LEU 6 H LEU 6 -4.045 12.048 1.460 40 HA LEU 6 HA LEU 6 -5.602 9.788 0.866 41 HB2 LEU 6 2HB LEU 6 -4.540 12.123 -0.667 42 HB3 LEU 6 1HB LEU 6 -5.208 10.772 -1.572 43 HG LEU 6 HG LEU 6 -6.756 11.885 0.751 44 HD11 LEU 6 1HD1 LEU 6 -7.910 13.388 -0.941 45 HD12 LEU 6 2HD1 LEU 6 -6.555 13.075 -2.025 46 HD13 LEU 6 3HD1 LEU 6 -6.281 13.887 -0.484 47 HD21 LEU 6 1HD2 LEU 6 -7.547 9.830 -0.336 48 HD22 LEU 6 2HD2 LEU 6 -7.506 10.624 -1.909 49 HD23 LEU 6 3HD2 LEU 6 -8.658 11.152 -0.684 50 H LYS 7 H LYS 7 -2.335 10.706 -0.217 51 HA LYS 7 HA LYS 7 -1.941 8.340 -1.765 52 HB2 LYS 7 2HB LYS 7 -0.650 10.753 -1.547 53 HB3 LYS 7 1HB LYS 7 0.465 9.656 -0.765 54 HG2 LYS 7 2HG LYS 7 1.151 9.431 -2.959 55 HG3 LYS 7 1HG LYS 7 -0.020 8.124 -2.866 56 HD2 LYS 7 2HD LYS 7 -0.858 9.169 -4.732 57 HD3 LYS 7 1HD LYS 7 -1.656 10.144 -3.503 58 HE2 LYS 7 2HE LYS 7 -0.688 11.764 -4.910 59 HE3 LYS 7 1HE LYS 7 0.468 11.626 -3.584 60 HZ1 LYS 7 1HZ LYS 7 1.227 9.683 -5.336 61 HZ2 LYS 7 2HZ LYS 7 1.965 11.202 -5.153 62 HZ3 LYS 7 3HZ LYS 7 0.783 10.967 -6.351 63 H GLY 8 H GLY 8 -0.749 9.379 1.426 64 HA2 GLY 8 2HA GLY 8 0.679 7.043 2.047 65 HA3 GLY 8 1HA GLY 8 0.032 8.178 3.226 66 H ALA 9 H ALA 9 -2.705 7.710 2.021 67 HA ALA 9 HA ALA 9 -3.526 5.654 3.832 68 HB1 ALA 9 1HB ALA 9 -5.769 5.991 2.664 69 HB2 ALA 9 2HB ALA 9 -4.966 7.228 1.696 70 HB3 ALA 9 3HB ALA 9 -5.079 7.414 3.446 71 H ALA 10 H ALA 10 -2.983 5.840 0.354 72 HA ALA 10 HA ALA 10 -4.133 3.346 -0.336 73 HB1 ALA 10 1HB ALA 10 -3.476 5.225 -1.916 74 HB2 ALA 10 2HB ALA 10 -3.033 3.599 -2.437 75 HB3 ALA 10 3HB ALA 10 -1.812 4.668 -1.745 76 H LYS 11 H LYS 11 -1.086 4.244 1.077 77 HA LYS 11 HA LYS 11 0.403 1.931 0.454 78 HB2 LYS 11 2HB LYS 11 1.129 4.208 1.496 79 HB3 LYS 11 1HB LYS 11 0.775 3.385 3.004 80 HG2 LYS 11 2HG LYS 11 2.260 1.492 2.228 81 HG3 LYS 11 1HG LYS 11 2.752 2.531 0.890 82 HD2 LYS 11 2HD LYS 11 3.367 4.280 2.644 83 HD3 LYS 11 1HD LYS 11 3.163 3.007 3.849 84 HE2 LYS 11 2HE LYS 11 4.808 1.614 2.543 85 HE3 LYS 11 1HE LYS 11 5.106 3.022 1.524 86 HZ1 LYS 11 1HZ LYS 11 6.739 3.013 3.220 87 HZ2 LYS 11 2HZ LYS 11 5.582 2.773 4.440 88 HZ3 LYS 11 3HZ LYS 11 5.647 4.252 3.606 89 H ASP 12 H ASP 12 -2.011 2.607 2.876 90 HA ASP 12 HA ASP 12 -1.446 0.375 4.563 91 HB2 ASP 12 2HB ASP 12 -2.735 2.344 5.322 92 HB3 ASP 12 1HB ASP 12 -4.033 1.906 4.212 93 H ILE 13 H ILE 13 -3.614 0.915 1.821 94 HA ILE 13 HA ILE 13 -4.922 -1.617 1.989 95 HB ILE 13 HB ILE 13 -4.592 0.171 -0.431 96 HG12 ILE 13 2HG1 ILE 13 -6.821 0.124 1.627 97 HG13 ILE 13 1HG1 ILE 13 -5.529 1.325 1.603 98 HG21 ILE 13 1HG2 ILE 13 -5.410 -2.082 -0.952 99 HG22 ILE 13 2HG2 ILE 13 -6.720 -0.913 -1.118 100 HG23 ILE 13 3HG2 ILE 13 -6.636 -1.946 0.309 101 HD11 ILE 13 1HD1 ILE 13 -6.194 1.964 -0.704 102 HD12 ILE 13 2HD1 ILE 13 -7.507 2.203 0.449 103 HD13 ILE 13 3HD1 ILE 13 -7.520 0.804 -0.626 104 H ALA 14 H ALA 14 -2.423 -0.377 -0.243 105 HA ALA 14 HA ALA 14 -1.927 -2.774 -1.593 106 HB1 ALA 14 1HB ALA 14 -1.054 -0.669 -2.418 107 HB2 ALA 14 2HB ALA 14 0.295 -1.768 -2.126 108 HB3 ALA 14 3HB ALA 14 -0.055 -0.477 -0.977 109 H GLY 15 H GLY 15 -1.309 -1.963 1.638 110 HA2 GLY 15 2HA GLY 15 1.075 -3.326 2.203 111 HA3 GLY 15 1HA GLY 15 -0.234 -3.060 3.350 112 H HIS 16 H HIS 16 -2.243 -4.526 2.788 113 HA HIS 16 HA HIS 16 -1.393 -7.222 3.160 114 HB2 HIS 16 2HB HIS 16 -3.806 -7.745 3.106 115 HB3 HIS 16 1HB HIS 16 -3.461 -6.377 4.164 116 HD2 HIS 16 2HD HIS 16 -4.618 -3.945 3.360 117 HE1 HIS 16 1HE HIS 16 -6.335 -5.365 -0.227 118 HE2 HIS 16 2HE HIS 16 -6.204 -3.388 1.362 119 H LEU 17 H LEU 17 -1.911 -5.315 0.384 120 HA LEU 17 HA LEU 17 -2.640 -7.480 -1.383 121 HB2 LEU 17 2HB LEU 17 -3.038 -4.830 -1.529 122 HB3 LEU 17 1HB LEU 17 -1.539 -4.955 -2.443 123 HG LEU 17 HG LEU 17 -3.391 -5.167 -3.989 124 HD11 LEU 17 1HD1 LEU 17 -2.687 -7.144 -5.066 125 HD12 LEU 17 2HD1 LEU 17 -2.347 -7.958 -3.541 126 HD13 LEU 17 3HD1 LEU 17 -1.297 -6.656 -4.100 127 HD21 LEU 17 1HD2 LEU 17 -4.807 -6.277 -1.929 128 HD22 LEU 17 2HD2 LEU 17 -4.385 -7.728 -2.836 129 HD23 LEU 17 3HD2 LEU 17 -5.277 -6.427 -3.621 130 H ALA 18 H ALA 18 0.169 -5.283 -1.311 131 HA ALA 18 HA ALA 18 1.800 -6.734 -3.035 132 HB1 ALA 18 1HB ALA 18 2.338 -4.460 -2.303 133 HB2 ALA 18 2HB ALA 18 3.688 -5.547 -1.973 134 HB3 ALA 18 3HB ALA 18 2.623 -5.042 -0.661 135 H SER 19 H SER 19 0.670 -7.646 0.000 136 HA SER 19 HA SER 19 2.945 -9.209 0.839 137 HB2 SER 19 2HB SER 19 1.775 -9.498 2.766 138 HB3 SER 19 1HB SER 19 0.732 -8.235 2.120 139 HG SER 19 HG SER 19 0.284 -10.924 2.433 140 H LYS 20 H LYS 20 -0.147 -9.837 -0.768 141 HA LYS 20 HA LYS 20 -0.244 -12.574 -0.809 142 HB2 LYS 20 2HB LYS 20 -1.262 -10.405 -2.471 143 HB3 LYS 20 1HB LYS 20 -0.940 -11.849 -3.422 144 HG2 LYS 20 2HG LYS 20 -3.203 -12.024 -2.630 145 HG3 LYS 20 1HG LYS 20 -2.245 -13.162 -1.683 146 HD2 LYS 20 2HD LYS 20 -2.011 -11.362 0.078 147 HD3 LYS 20 1HD LYS 20 -3.174 -10.404 -0.838 148 HE2 LYS 20 2HE LYS 20 -4.879 -12.096 -0.573 149 HE3 LYS 20 1HE LYS 20 -3.722 -13.217 0.148 150 HZ1 LYS 20 1HZ LYS 20 -4.792 -12.303 1.966 151 HZ2 LYS 20 2HZ LYS 20 -4.862 -10.746 1.288 152 HZ3 LYS 20 3HZ LYS 20 -3.386 -11.361 1.861 153 H VAL 21 H VAL 21 1.495 -10.523 -3.158 154 HA VAL 21 HA VAL 21 2.655 -12.658 -4.603 155 HB VAL 21 HB VAL 21 3.895 -9.926 -4.269 156 HG11 VAL 21 1HG1 VAL 21 5.177 -11.567 -5.562 157 HG12 VAL 21 2HG1 VAL 21 4.520 -10.338 -6.643 158 HG13 VAL 21 3HG1 VAL 21 3.760 -11.927 -6.547 159 HG21 VAL 21 1HG2 VAL 21 1.482 -10.781 -5.889 160 HG22 VAL 21 2HG2 VAL 21 2.407 -9.323 -6.246 161 HG23 VAL 21 3HG2 VAL 21 1.573 -9.482 -4.700 162 H MET 22 H MET 22 4.040 -10.555 -2.071 163 HA MET 22 HA MET 22 6.531 -11.786 -1.873 164 HB2 MET 22 2HB MET 22 5.648 -9.629 -0.759 165 HB3 MET 22 1HB MET 22 5.108 -10.708 0.519 166 HG2 MET 22 2HG MET 22 7.276 -10.027 1.199 167 HG3 MET 22 1HG MET 22 7.502 -11.641 0.527 168 HE1 MET 22 1HE MET 22 10.453 -8.898 -0.282 169 HE2 MET 22 2HE MET 22 9.915 -10.057 0.931 170 HE3 MET 22 3HE MET 22 9.136 -8.480 0.822 171 H ASN 23 H ASN 23 3.423 -12.758 -0.638 172 HA ASN 23 HA ASN 23 4.326 -14.625 1.288 173 HB2 ASN 23 2HB ASN 23 1.816 -13.780 0.160 174 HB3 ASN 23 1HB ASN 23 1.855 -15.534 0.284 175 HD21 ASN 23 1HD2 ASN 23 0.763 -12.996 1.990 176 HD22 ASN 23 2HD2 ASN 23 1.050 -13.532 3.575 177 H LYS 24 H LYS 24 3.960 -14.752 -2.174 178 HA LYS 24 HA LYS 24 3.986 -17.588 -2.429 179 HB2 LYS 24 2HB LYS 24 3.301 -15.705 -4.125 180 HB3 LYS 24 1HB LYS 24 4.993 -15.817 -4.567 181 HG2 LYS 24 2HG LYS 24 4.068 -17.404 -5.999 182 HG3 LYS 24 1HG LYS 24 4.533 -18.407 -4.626 183 HD2 LYS 24 2HD LYS 24 2.267 -18.343 -3.745 184 HD3 LYS 24 1HD LYS 24 1.775 -17.194 -4.990 185 HE2 LYS 24 2HE LYS 24 2.017 -18.814 -6.723 186 HE3 LYS 24 1HE LYS 24 2.893 -19.921 -5.665 187 HZ1 LYS 24 1HZ LYS 24 0.248 -19.131 -4.767 188 HZ2 LYS 24 2HZ LYS 24 1.008 -20.650 -4.713 189 HZ3 LYS 24 3HZ LYS 24 0.287 -20.108 -6.153 190 H LEU 25 H LEU 25 6.509 -15.164 -3.141 191 HA LEU 25 HA LEU 25 8.552 -17.142 -3.344 192 HB2 LEU 25 2HB LEU 25 10.014 -15.009 -3.269 193 HB3 LEU 25 1HB LEU 25 8.933 -15.233 -4.639 194 HG LEU 25 HG LEU 25 7.709 -13.854 -2.322 195 HD11 LEU 25 1HD1 LEU 25 9.896 -12.824 -2.168 196 HD12 LEU 25 2HD1 LEU 25 8.806 -11.679 -2.950 197 HD13 LEU 25 3HD1 LEU 25 9.960 -12.597 -3.916 198 HD21 LEU 25 1HD2 LEU 25 6.730 -12.507 -4.083 199 HD22 LEU 25 2HD2 LEU 25 6.676 -14.191 -4.603 200 HD23 LEU 25 3HD2 LEU 25 7.902 -13.105 -5.256 201 HN1 NH2 26 HN1 NH2 26 7.426 -17.630 -0.857 202 HN2 NH2 26 HN2 NH2 26 8.491 -17.126 0.377 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -1.858 16.841 3.209 2 H2 GLY 1 2HT GLY 1 -1.364 17.306 4.766 3 H3 GLY 1 3HT GLY 1 -2.105 18.435 3.734 4 HA2 GLY 1 2HA GLY 1 -3.307 16.679 5.576 5 HA3 GLY 1 1HA GLY 1 -4.069 17.915 4.574 6 H VAL 2 H VAL 2 -5.167 17.322 2.748 7 HA VAL 2 HA VAL 2 -6.186 14.743 2.494 8 HB VAL 2 HB VAL 2 -6.516 15.659 -0.026 9 HG11 VAL 2 1HG1 VAL 2 -8.342 15.221 1.514 10 HG12 VAL 2 2HG1 VAL 2 -8.546 16.844 0.854 11 HG13 VAL 2 3HG1 VAL 2 -7.912 16.630 2.485 12 HG21 VAL 2 1HG2 VAL 2 -6.250 18.198 1.595 13 HG22 VAL 2 2HG2 VAL 2 -6.450 18.031 -0.148 14 HG23 VAL 2 3HG2 VAL 2 -4.921 17.588 0.609 15 H VAL 3 H VAL 3 -3.804 16.288 0.320 16 HA VAL 3 HA VAL 3 -3.156 13.978 -1.128 17 HB VAL 3 HB VAL 3 -1.330 16.313 -0.515 18 HG11 VAL 3 1HG1 VAL 3 -0.122 14.509 -1.558 19 HG12 VAL 3 2HG1 VAL 3 -0.457 15.701 -2.814 20 HG13 VAL 3 3HG1 VAL 3 -1.424 14.230 -2.712 21 HG21 VAL 3 1HG2 VAL 3 -3.369 17.226 -1.377 22 HG22 VAL 3 2HG2 VAL 3 -3.534 15.925 -2.556 23 HG23 VAL 3 3HG2 VAL 3 -2.264 17.135 -2.749 24 H ASP 4 H ASP 4 -1.980 15.190 1.947 25 HA ASP 4 HA ASP 4 0.274 13.455 2.155 26 HB2 ASP 4 2HB ASP 4 -0.039 15.561 3.470 27 HB3 ASP 4 1HB ASP 4 -1.296 14.742 4.398 28 H ILE 5 H ILE 5 -3.094 13.245 3.230 29 HA ILE 5 HA ILE 5 -2.672 10.714 4.571 30 HB ILE 5 HB ILE 5 -5.197 12.244 3.903 31 HG12 ILE 5 2HG1 ILE 5 -3.865 11.831 6.588 32 HG13 ILE 5 1HG1 ILE 5 -3.487 13.211 5.556 33 HG21 ILE 5 1HG2 ILE 5 -6.150 10.690 5.695 34 HG22 ILE 5 2HG2 ILE 5 -4.701 9.708 5.479 35 HG23 ILE 5 3HG2 ILE 5 -5.814 9.945 4.133 36 HD11 ILE 5 1HD1 ILE 5 -6.251 12.478 6.569 37 HD12 ILE 5 2HD1 ILE 5 -5.867 13.858 5.540 38 HD13 ILE 5 3HD1 ILE 5 -5.246 13.789 7.189 39 H LEU 6 H LEU 6 -3.967 11.827 1.482 40 HA LEU 6 HA LEU 6 -5.176 9.454 0.625 41 HB2 LEU 6 2HB LEU 6 -4.025 11.866 -0.705 42 HB3 LEU 6 1HB LEU 6 -4.383 10.466 -1.708 43 HG LEU 6 HG LEU 6 -6.452 11.436 0.244 44 HD11 LEU 6 1HD1 LEU 6 -5.951 12.588 -2.518 45 HD12 LEU 6 2HD1 LEU 6 -5.760 13.449 -0.990 46 HD13 LEU 6 3HD1 LEU 6 -7.362 12.925 -1.512 47 HD21 LEU 6 1HD2 LEU 6 -6.554 10.134 -2.499 48 HD22 LEU 6 2HD2 LEU 6 -7.961 10.541 -1.518 49 HD23 LEU 6 3HD2 LEU 6 -6.820 9.320 -0.957 50 H LYS 7 H LYS 7 -1.866 10.644 0.001 51 HA LYS 7 HA LYS 7 -0.949 8.429 -1.434 52 HB2 LYS 7 2HB LYS 7 0.136 10.803 -0.693 53 HB3 LYS 7 1HB LYS 7 1.004 9.698 0.348 54 HG2 LYS 7 2HG LYS 7 2.345 9.609 -1.527 55 HG3 LYS 7 1HG LYS 7 1.257 8.274 -1.869 56 HD2 LYS 7 2HD LYS 7 1.001 9.405 -3.851 57 HD3 LYS 7 1HD LYS 7 -0.176 10.292 -2.890 58 HE2 LYS 7 2HE LYS 7 1.117 12.009 -3.844 59 HE3 LYS 7 1HE LYS 7 1.811 11.820 -2.232 60 HZ1 LYS 7 1HZ LYS 7 3.022 11.400 -4.766 61 HZ2 LYS 7 2HZ LYS 7 3.114 9.990 -3.822 62 HZ3 LYS 7 3HZ LYS 7 3.740 11.455 -3.231 63 H GLY 8 H GLY 8 -0.731 9.091 2.056 64 HA2 GLY 8 2HA GLY 8 0.588 6.715 2.774 65 HA3 GLY 8 1HA GLY 8 -0.393 7.697 3.854 66 H ALA 9 H ALA 9 -2.695 7.340 1.916 67 HA ALA 9 HA ALA 9 -3.880 5.087 3.214 68 HB1 ALA 9 1HB ALA 9 -5.049 7.188 2.296 69 HB2 ALA 9 2HB ALA 9 -5.848 5.639 2.036 70 HB3 ALA 9 3HB ALA 9 -4.951 6.400 0.722 71 H ALA 10 H ALA 10 -2.819 5.698 -0.133 72 HA ALA 10 HA ALA 10 -3.503 3.215 -1.220 73 HB1 ALA 10 1HB ALA 10 -1.756 3.704 -2.921 74 HB2 ALA 10 2HB ALA 10 -1.201 5.051 -1.927 75 HB3 ALA 10 3HB ALA 10 -2.820 5.080 -2.626 76 H LYS 11 H LYS 11 -0.861 4.142 0.850 77 HA LYS 11 HA LYS 11 0.761 1.836 0.341 78 HB2 LYS 11 2HB LYS 11 1.382 4.175 1.360 79 HB3 LYS 11 1HB LYS 11 0.948 3.372 2.858 80 HG2 LYS 11 2HG LYS 11 2.501 1.481 2.175 81 HG3 LYS 11 1HG LYS 11 3.078 2.543 0.890 82 HD2 LYS 11 2HD LYS 11 3.788 4.208 2.514 83 HD3 LYS 11 1HD LYS 11 3.088 3.269 3.833 84 HE2 LYS 11 2HE LYS 11 5.541 2.933 3.669 85 HE3 LYS 11 1HE LYS 11 4.656 1.434 3.389 86 HZ1 LYS 11 1HZ LYS 11 5.810 3.229 1.326 87 HZ2 LYS 11 2HZ LYS 11 4.826 1.886 0.985 88 HZ3 LYS 11 3HZ LYS 11 6.340 1.669 1.727 89 H ASP 12 H ASP 12 -1.497 2.788 2.902 90 HA ASP 12 HA ASP 12 -1.188 0.544 4.554 91 HB2 ASP 12 2HB ASP 12 -2.395 2.516 5.303 92 HB3 ASP 12 1HB ASP 12 -3.629 2.265 4.068 93 H ILE 13 H ILE 13 -3.604 1.141 1.997 94 HA ILE 13 HA ILE 13 -4.869 -1.366 2.140 95 HB ILE 13 HB ILE 13 -4.532 0.405 -0.291 96 HG12 ILE 13 2HG1 ILE 13 -6.769 0.357 1.756 97 HG13 ILE 13 1HG1 ILE 13 -5.458 1.538 1.768 98 HG21 ILE 13 1HG2 ILE 13 -6.702 -0.660 -0.944 99 HG22 ILE 13 2HG2 ILE 13 -6.548 -1.738 0.445 100 HG23 ILE 13 3HG2 ILE 13 -5.367 -1.810 -0.863 101 HD11 ILE 13 1HD1 ILE 13 -7.434 1.092 -0.489 102 HD12 ILE 13 2HD1 ILE 13 -6.086 2.228 -0.535 103 HD13 ILE 13 3HD1 ILE 13 -7.405 2.472 0.610 104 H ALA 14 H ALA 14 -2.233 -0.233 0.030 105 HA ALA 14 HA ALA 14 -1.875 -2.635 -1.389 106 HB1 ALA 14 1HB ALA 14 0.294 -1.735 -2.025 107 HB2 ALA 14 2HB ALA 14 0.223 -0.563 -0.709 108 HB3 ALA 14 3HB ALA 14 -0.909 -0.444 -2.057 109 H GLY 15 H GLY 15 -1.259 -1.901 1.860 110 HA2 GLY 15 2HA GLY 15 1.048 -3.408 2.410 111 HA3 GLY 15 1HA GLY 15 -0.229 -3.047 3.566 112 H HIS 16 H HIS 16 -2.340 -4.372 3.026 113 HA HIS 16 HA HIS 16 -1.648 -7.129 3.368 114 HB2 HIS 16 2HB HIS 16 -4.045 -7.503 3.534 115 HB3 HIS 16 1HB HIS 16 -3.614 -6.061 4.453 116 HD2 HIS 16 2HD HIS 16 -4.574 -3.614 3.355 117 HE1 HIS 16 1HE HIS 16 -6.822 -5.387 0.253 118 HE2 HIS 16 2HE HIS 16 -6.342 -3.214 1.476 119 H LEU 17 H LEU 17 -2.181 -5.163 0.636 120 HA LEU 17 HA LEU 17 -3.150 -7.257 -1.101 121 HB2 LEU 17 2HB LEU 17 -3.358 -4.578 -1.206 122 HB3 LEU 17 1HB LEU 17 -1.933 -4.811 -2.214 123 HG LEU 17 HG LEU 17 -3.891 -4.869 -3.638 124 HD11 LEU 17 1HD1 LEU 17 -3.399 -6.875 -4.770 125 HD12 LEU 17 2HD1 LEU 17 -3.040 -7.736 -3.274 126 HD13 LEU 17 3HD1 LEU 17 -1.923 -6.513 -3.879 127 HD21 LEU 17 1HD2 LEU 17 -5.001 -7.361 -2.442 128 HD22 LEU 17 2HD2 LEU 17 -5.840 -5.982 -3.152 129 HD23 LEU 17 3HD2 LEU 17 -5.251 -5.893 -1.494 130 H ALA 18 H ALA 18 -0.198 -5.256 -1.174 131 HA ALA 18 HA ALA 18 1.214 -6.906 -2.956 132 HB1 ALA 18 1HB ALA 18 3.238 -5.716 -2.074 133 HB2 ALA 18 2HB ALA 18 2.204 -4.961 -0.862 134 HB3 ALA 18 3HB ALA 18 1.938 -4.637 -2.575 135 H SER 19 H SER 19 0.151 -7.703 0.044 136 HA SER 19 HA SER 19 2.438 -9.037 1.133 137 HB2 SER 19 2HB SER 19 1.003 -9.776 2.826 138 HB3 SER 19 1HB SER 19 0.256 -8.263 2.321 139 HG SER 19 HG SER 19 -1.369 -9.716 2.288 140 H LYS 20 H LYS 20 -0.594 -10.384 -0.207 141 HA LYS 20 HA LYS 20 0.132 -13.020 -0.379 142 HB2 LYS 20 2HB LYS 20 -1.629 -13.277 -1.916 143 HB3 LYS 20 1HB LYS 20 -2.093 -11.874 -0.961 144 HG2 LYS 20 2HG LYS 20 -0.796 -10.544 -2.841 145 HG3 LYS 20 1HG LYS 20 -1.108 -11.994 -3.796 146 HD2 LYS 20 2HD LYS 20 -3.550 -11.777 -3.089 147 HD3 LYS 20 1HD LYS 20 -3.132 -10.176 -2.475 148 HE2 LYS 20 2HE LYS 20 -2.377 -9.480 -4.690 149 HE3 LYS 20 1HE LYS 20 -2.666 -11.100 -5.326 150 HZ1 LYS 20 1HZ LYS 20 -5.025 -10.422 -4.150 151 HZ2 LYS 20 2HZ LYS 20 -4.691 -10.369 -5.815 152 HZ3 LYS 20 3HZ LYS 20 -4.519 -8.969 -4.867 153 H VAL 21 H VAL 21 1.226 -10.356 -2.332 154 HA VAL 21 HA VAL 21 2.262 -11.932 -4.493 155 HB VAL 21 HB VAL 21 3.109 -9.150 -3.663 156 HG11 VAL 21 1HG1 VAL 21 3.545 -8.947 -6.112 157 HG12 VAL 21 2HG1 VAL 21 3.122 -10.649 -6.301 158 HG13 VAL 21 3HG1 VAL 21 4.536 -10.192 -5.352 159 HG21 VAL 21 1HG2 VAL 21 0.727 -10.132 -5.254 160 HG22 VAL 21 2HG2 VAL 21 1.346 -8.486 -5.397 161 HG23 VAL 21 3HG2 VAL 21 0.725 -9.063 -3.851 162 H MET 22 H MET 22 3.798 -10.223 -1.758 163 HA MET 22 HA MET 22 6.390 -11.284 -2.266 164 HB2 MET 22 2HB MET 22 5.926 -9.184 -0.996 165 HB3 MET 22 1HB MET 22 5.332 -10.189 0.318 166 HG2 MET 22 2HG MET 22 8.068 -10.672 -0.835 167 HG3 MET 22 1HG MET 22 7.818 -9.425 0.384 168 HE1 MET 22 1HE MET 22 6.416 -9.834 2.500 169 HE2 MET 22 2HE MET 22 8.146 -9.919 2.826 170 HE3 MET 22 3HE MET 22 7.057 -11.079 3.582 171 H ASN 23 H ASN 23 3.630 -12.361 -0.435 172 HA ASN 23 HA ASN 23 4.922 -14.249 1.217 173 HB2 ASN 23 2HB ASN 23 2.218 -13.487 0.558 174 HB3 ASN 23 1HB ASN 23 2.351 -15.238 0.671 175 HD21 ASN 23 1HD2 ASN 23 2.001 -12.387 2.517 176 HD22 ASN 23 2HD2 ASN 23 2.367 -13.047 4.037 177 H LYS 24 H LYS 24 3.947 -14.319 -2.128 178 HA LYS 24 HA LYS 24 3.964 -17.130 -2.486 179 HB2 LYS 24 2HB LYS 24 3.068 -15.201 -4.012 180 HB3 LYS 24 1HB LYS 24 4.691 -15.276 -4.670 181 HG2 LYS 24 2HG LYS 24 3.605 -16.818 -6.036 182 HG3 LYS 24 1HG LYS 24 4.242 -17.868 -4.771 183 HD2 LYS 24 2HD LYS 24 2.104 -17.863 -3.614 184 HD3 LYS 24 1HD LYS 24 1.456 -16.671 -4.741 185 HE2 LYS 24 2HE LYS 24 0.661 -18.870 -5.402 186 HE3 LYS 24 1HE LYS 24 1.825 -18.307 -6.601 187 HZ1 LYS 24 1HZ LYS 24 2.024 -20.686 -5.641 188 HZ2 LYS 24 2HZ LYS 24 2.746 -19.910 -4.313 189 HZ3 LYS 24 3HZ LYS 24 3.426 -19.758 -5.863 190 H LEU 25 H LEU 25 6.395 -14.696 -3.444 191 HA LEU 25 HA LEU 25 8.374 -16.695 -3.954 192 HB2 LEU 25 2HB LEU 25 9.849 -14.582 -4.083 193 HB3 LEU 25 1HB LEU 25 8.578 -14.779 -5.283 194 HG LEU 25 HG LEU 25 7.697 -13.409 -2.816 195 HD11 LEU 25 1HD1 LEU 25 9.887 -12.411 -2.870 196 HD12 LEU 25 2HD1 LEU 25 8.768 -11.240 -3.567 197 HD13 LEU 25 3HD1 LEU 25 9.810 -12.199 -4.619 198 HD21 LEU 25 1HD2 LEU 25 6.312 -13.602 -4.852 199 HD22 LEU 25 2HD2 LEU 25 7.544 -12.742 -5.776 200 HD23 LEU 25 3HD2 LEU 25 6.662 -11.911 -4.496 201 HN1 NH2 26 HN1 NH2 26 7.678 -17.281 -1.383 202 HN2 NH2 26 HN2 NH2 26 8.871 -16.747 -0.286 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -6.698 18.011 1.233 2 H2 GLY 1 2HT GLY 1 -5.263 18.852 0.886 3 H3 GLY 1 3HT GLY 1 -6.172 19.250 2.265 4 HA2 GLY 1 2HA GLY 1 -4.044 17.754 2.440 5 HA3 GLY 1 1HA GLY 1 -5.456 17.467 3.458 6 H VAL 2 H VAL 2 -5.969 16.890 0.138 7 HA VAL 2 HA VAL 2 -6.619 14.175 0.487 8 HB VAL 2 HB VAL 2 -6.193 14.291 -2.177 9 HG11 VAL 2 1HG1 VAL 2 -8.453 15.617 -0.650 10 HG12 VAL 2 2HG1 VAL 2 -8.362 13.918 -1.112 11 HG13 VAL 2 3HG1 VAL 2 -8.520 15.161 -2.352 12 HG21 VAL 2 1HG2 VAL 2 -5.137 16.612 -1.772 13 HG22 VAL 2 2HG2 VAL 2 -6.779 17.168 -1.457 14 HG23 VAL 2 3HG2 VAL 2 -6.362 16.500 -3.034 15 H VAL 3 H VAL 3 -3.842 15.556 -1.293 16 HA VAL 3 HA VAL 3 -2.474 13.179 -1.750 17 HB VAL 3 HB VAL 3 -1.257 15.896 -1.205 18 HG11 VAL 3 1HG1 VAL 3 -0.273 13.392 -2.595 19 HG12 VAL 3 2HG1 VAL 3 0.458 14.220 -1.220 20 HG13 VAL 3 3HG1 VAL 3 0.484 14.970 -2.816 21 HG21 VAL 3 1HG2 VAL 3 -2.104 14.662 -3.843 22 HG22 VAL 3 2HG2 VAL 3 -1.489 16.294 -3.581 23 HG23 VAL 3 3HG2 VAL 3 -3.075 15.840 -2.959 24 H ASP 4 H ASP 4 -2.600 15.196 1.121 25 HA ASP 4 HA ASP 4 -0.421 13.968 2.491 26 HB2 ASP 4 2HB ASP 4 -1.314 16.203 3.071 27 HB3 ASP 4 1HB ASP 4 -2.801 15.443 3.634 28 H ILE 5 H ILE 5 -3.939 13.464 2.555 29 HA ILE 5 HA ILE 5 -3.766 11.365 4.524 30 HB ILE 5 HB ILE 5 -6.050 12.227 2.737 31 HG12 ILE 5 2HG1 ILE 5 -5.680 12.748 5.692 32 HG13 ILE 5 1HG1 ILE 5 -5.057 13.860 4.473 33 HG21 ILE 5 1HG2 ILE 5 -6.458 9.973 3.457 34 HG22 ILE 5 2HG2 ILE 5 -7.400 11.019 4.521 35 HG23 ILE 5 3HG2 ILE 5 -5.881 10.325 5.086 36 HD11 ILE 5 1HD1 ILE 5 -7.327 14.510 5.258 37 HD12 ILE 5 2HD1 ILE 5 -7.947 12.963 4.678 38 HD13 ILE 5 3HD1 ILE 5 -7.299 14.139 3.534 39 H LEU 6 H LEU 6 -3.881 11.560 1.021 40 HA LEU 6 HA LEU 6 -4.618 8.943 0.400 41 HB2 LEU 6 2HB LEU 6 -3.056 11.095 -0.949 42 HB3 LEU 6 1HB LEU 6 -2.956 9.474 -1.622 43 HG LEU 6 HG LEU 6 -5.653 10.611 -0.939 44 HD11 LEU 6 1HD1 LEU 6 -4.034 11.208 -3.433 45 HD12 LEU 6 2HD1 LEU 6 -4.642 12.379 -2.263 46 HD13 LEU 6 3HD1 LEU 6 -5.770 11.489 -3.287 47 HD21 LEU 6 1HD2 LEU 6 -5.468 8.250 -1.613 48 HD22 LEU 6 2HD2 LEU 6 -4.616 8.723 -3.082 49 HD23 LEU 6 3HD2 LEU 6 -6.306 9.172 -2.860 50 H LYS 7 H LYS 7 -1.333 10.288 0.808 51 HA LYS 7 HA LYS 7 0.151 8.005 0.388 52 HB2 LYS 7 2HB LYS 7 0.759 10.520 1.133 53 HB3 LYS 7 1HB LYS 7 1.026 9.678 2.642 54 HG2 LYS 7 2HG LYS 7 3.101 9.394 1.681 55 HG3 LYS 7 1HG LYS 7 2.305 7.946 1.089 56 HD2 LYS 7 2HD LYS 7 3.047 8.745 -0.931 57 HD3 LYS 7 1HD LYS 7 1.557 9.676 -0.814 58 HE2 LYS 7 2HE LYS 7 3.197 11.302 -1.320 59 HE3 LYS 7 1HE LYS 7 2.960 11.447 0.423 60 HZ1 LYS 7 1HZ LYS 7 5.327 10.935 -0.903 61 HZ2 LYS 7 2HZ LYS 7 4.902 9.469 -0.155 62 HZ3 LYS 7 3HZ LYS 7 5.059 10.884 0.771 63 H GLY 8 H GLY 8 -1.062 9.141 3.547 64 HA2 GLY 8 2HA GLY 8 -0.226 6.910 5.031 65 HA3 GLY 8 1HA GLY 8 -1.524 8.003 5.494 66 H ALA 9 H ALA 9 -2.979 7.411 2.976 67 HA ALA 9 HA ALA 9 -4.490 5.161 3.951 68 HB1 ALA 9 1HB ALA 9 -5.517 7.155 2.831 69 HB2 ALA 9 2HB ALA 9 -5.994 5.614 2.118 70 HB3 ALA 9 3HB ALA 9 -4.787 6.621 1.317 71 H ALA 10 H ALA 10 -2.467 5.811 1.099 72 HA ALA 10 HA ALA 10 -2.787 3.271 -0.103 73 HB1 ALA 10 1HB ALA 10 -1.930 5.170 -1.365 74 HB2 ALA 10 2HB ALA 10 -0.741 3.867 -1.376 75 HB3 ALA 10 3HB ALA 10 -0.515 5.259 -0.316 76 H LYS 11 H LYS 11 -0.676 4.461 2.425 77 HA LYS 11 HA LYS 11 1.232 2.395 2.407 78 HB2 LYS 11 2HB LYS 11 1.200 4.643 3.702 79 HB3 LYS 11 1HB LYS 11 0.357 3.702 4.918 80 HG2 LYS 11 2HG LYS 11 2.194 2.098 5.029 81 HG3 LYS 11 1HG LYS 11 3.039 2.956 3.740 82 HD2 LYS 11 2HD LYS 11 3.410 4.866 5.109 83 HD3 LYS 11 1HD LYS 11 2.247 4.320 6.317 84 HE2 LYS 11 2HE LYS 11 4.594 3.942 7.048 85 HE3 LYS 11 1HE LYS 11 3.695 2.432 6.901 86 HZ1 LYS 11 1HZ LYS 11 4.671 2.655 4.445 87 HZ2 LYS 11 2HZ LYS 11 5.481 1.840 5.697 88 HZ3 LYS 11 3HZ LYS 11 5.905 3.438 5.306 89 H ASP 12 H ASP 12 -1.983 2.611 3.758 90 HA ASP 12 HA ASP 12 -1.761 0.238 5.365 91 HB2 ASP 12 2HB ASP 12 -3.392 2.155 5.736 92 HB3 ASP 12 1HB ASP 12 -4.309 1.517 4.373 93 H ILE 13 H ILE 13 -2.898 1.011 2.120 94 HA ILE 13 HA ILE 13 -3.964 -1.626 1.634 95 HB ILE 13 HB ILE 13 -3.311 0.604 -0.307 96 HG12 ILE 13 2HG1 ILE 13 -6.006 -0.172 0.830 97 HG13 ILE 13 1HG1 ILE 13 -4.998 1.074 1.566 98 HG21 ILE 13 1HG2 ILE 13 -4.958 -1.929 -0.550 99 HG22 ILE 13 2HG2 ILE 13 -3.499 -1.524 -1.455 100 HG23 ILE 13 3HG2 ILE 13 -4.988 -0.619 -1.729 101 HD11 ILE 13 1HD1 ILE 13 -5.843 1.099 -1.344 102 HD12 ILE 13 2HD1 ILE 13 -5.030 2.392 -0.461 103 HD13 ILE 13 3HD1 ILE 13 -6.696 1.968 -0.068 104 H ALA 14 H ALA 14 -1.179 0.195 0.331 105 HA ALA 14 HA ALA 14 -0.032 -1.838 -1.173 106 HB1 ALA 14 1HB ALA 14 1.579 0.163 0.411 107 HB2 ALA 14 2HB ALA 14 0.667 0.612 -1.031 108 HB3 ALA 14 3HB ALA 14 1.975 -0.566 -1.146 109 H GLY 15 H GLY 15 -0.194 -1.469 2.258 110 HA2 GLY 15 2HA GLY 15 2.034 -2.971 3.074 111 HA3 GLY 15 1HA GLY 15 0.548 -2.775 3.998 112 H HIS 16 H HIS 16 -1.363 -4.087 2.931 113 HA HIS 16 HA HIS 16 -0.604 -6.846 3.098 114 HB2 HIS 16 2HB HIS 16 -2.966 -7.313 2.828 115 HB3 HIS 16 1HB HIS 16 -2.780 -5.948 3.929 116 HD2 HIS 16 2HD HIS 16 -3.971 -3.578 3.051 117 HE1 HIS 16 1HE HIS 16 -5.055 -4.921 -0.801 118 HE2 HIS 16 2HE HIS 16 -5.270 -3.011 0.858 119 H LEU 17 H LEU 17 -0.758 -4.595 0.546 120 HA LEU 17 HA LEU 17 -1.413 -6.394 -1.577 121 HB2 LEU 17 2HB LEU 17 -1.384 -3.728 -1.411 122 HB3 LEU 17 1HB LEU 17 0.222 -3.985 -2.086 123 HG LEU 17 HG LEU 17 -1.331 -3.705 -3.921 124 HD11 LEU 17 1HD1 LEU 17 -0.764 -5.656 -5.140 125 HD12 LEU 17 2HD1 LEU 17 -0.779 -6.663 -3.693 126 HD13 LEU 17 3HD1 LEU 17 0.510 -5.482 -3.935 127 HD21 LEU 17 1HD2 LEU 17 -2.878 -6.180 -3.319 128 HD22 LEU 17 2HD2 LEU 17 -3.415 -4.666 -4.045 129 HD23 LEU 17 3HD2 LEU 17 -3.243 -4.790 -2.296 130 H ALA 18 H ALA 18 1.663 -4.750 -0.825 131 HA ALA 18 HA ALA 18 3.302 -6.231 -2.500 132 HB1 ALA 18 1HB ALA 18 3.871 -4.927 0.165 133 HB2 ALA 18 2HB ALA 18 4.202 -4.290 -1.446 134 HB3 ALA 18 3HB ALA 18 5.131 -5.657 -0.830 135 H SER 19 H SER 19 1.536 -7.348 0.128 136 HA SER 19 HA SER 19 3.384 -9.491 0.852 137 HB2 SER 19 2HB SER 19 2.079 -9.790 2.711 138 HB3 SER 19 1HB SER 19 1.594 -8.139 2.337 139 HG SER 19 HG SER 19 0.072 -10.274 2.454 140 H LYS 20 H LYS 20 0.148 -9.139 -0.591 141 HA LYS 20 HA LYS 20 -0.540 -11.753 -1.028 142 HB2 LYS 20 2HB LYS 20 -1.215 -9.183 -2.199 143 HB3 LYS 20 1HB LYS 20 -1.229 -10.446 -3.425 144 HG2 LYS 20 2HG LYS 20 -3.435 -10.362 -2.462 145 HG3 LYS 20 1HG LYS 20 -2.662 -11.826 -1.857 146 HD2 LYS 20 2HD LYS 20 -2.209 -10.826 0.266 147 HD3 LYS 20 1HD LYS 20 -2.596 -9.213 -0.334 148 HE2 LYS 20 2HE LYS 20 -4.949 -9.958 -0.708 149 HE3 LYS 20 1HE LYS 20 -4.539 -11.513 0.017 150 HZ1 LYS 20 1HZ LYS 20 -3.940 -9.038 1.481 151 HZ2 LYS 20 2HZ LYS 20 -4.277 -10.591 2.082 152 HZ3 LYS 20 3HZ LYS 20 -5.532 -9.624 1.468 153 H VAL 21 H VAL 21 1.637 -9.765 -3.007 154 HA VAL 21 HA VAL 21 2.114 -11.727 -5.001 155 HB VAL 21 HB VAL 21 3.923 -9.466 -4.117 156 HG11 VAL 21 1HG1 VAL 21 5.061 -11.075 -5.552 157 HG12 VAL 21 2HG1 VAL 21 4.705 -9.623 -6.488 158 HG13 VAL 21 3HG1 VAL 21 3.710 -11.066 -6.686 159 HG21 VAL 21 1HG2 VAL 21 1.830 -9.498 -6.311 160 HG22 VAL 21 2HG2 VAL 21 2.785 -8.117 -5.771 161 HG23 VAL 21 3HG2 VAL 21 1.555 -8.807 -4.712 162 H MET 22 H MET 22 4.060 -10.722 -2.183 163 HA MET 22 HA MET 22 6.064 -12.682 -2.486 164 HB2 MET 22 2HB MET 22 6.039 -10.558 -1.014 165 HB3 MET 22 1HB MET 22 5.245 -11.588 0.170 166 HG2 MET 22 2HG MET 22 7.514 -11.834 0.720 167 HG3 MET 22 1HG MET 22 7.200 -13.246 -0.289 168 HE1 MET 22 1HE MET 22 9.919 -10.638 0.248 169 HE2 MET 22 2HE MET 22 10.838 -11.705 -0.812 170 HE3 MET 22 3HE MET 22 9.801 -12.393 0.434 171 H ASN 23 H ASN 23 2.873 -12.794 -1.129 172 HA ASN 23 HA ASN 23 3.153 -15.059 0.525 173 HB2 ASN 23 2HB ASN 23 1.034 -13.375 -0.412 174 HB3 ASN 23 1HB ASN 23 0.538 -15.055 -0.569 175 HD21 ASN 23 1HD2 ASN 23 0.398 -12.547 1.575 176 HD22 ASN 23 2HD2 ASN 23 0.386 -13.414 3.034 177 H LYS 24 H LYS 24 2.802 -14.709 -2.929 178 HA LYS 24 HA LYS 24 2.019 -17.405 -3.447 179 HB2 LYS 24 2HB LYS 24 1.845 -15.250 -4.934 180 HB3 LYS 24 1HB LYS 24 3.437 -15.767 -5.456 181 HG2 LYS 24 2HG LYS 24 2.092 -16.895 -6.988 182 HG3 LYS 24 1HG LYS 24 2.292 -18.119 -5.734 183 HD2 LYS 24 2HD LYS 24 0.143 -17.533 -4.751 184 HD3 LYS 24 1HD LYS 24 -0.043 -16.188 -5.874 185 HE2 LYS 24 2HE LYS 24 -0.255 -17.657 -7.747 186 HE3 LYS 24 1HE LYS 24 0.278 -19.047 -6.803 187 HZ1 LYS 24 1HZ LYS 24 -2.292 -17.613 -6.696 188 HZ2 LYS 24 2HZ LYS 24 -1.749 -18.494 -5.348 189 HZ3 LYS 24 3HZ LYS 24 -2.005 -19.278 -6.834 190 H LEU 25 H LEU 25 5.098 -15.701 -4.043 191 HA LEU 25 HA LEU 25 6.515 -18.126 -4.526 192 HB2 LEU 25 2HB LEU 25 8.508 -16.487 -4.292 193 HB3 LEU 25 1HB LEU 25 7.396 -16.272 -5.639 194 HG LEU 25 HG LEU 25 6.606 -14.855 -3.162 195 HD11 LEU 25 1HD1 LEU 25 9.172 -14.222 -4.628 196 HD12 LEU 25 2HD1 LEU 25 8.920 -14.387 -2.891 197 HD13 LEU 25 3HD1 LEU 25 8.273 -12.987 -3.746 198 HD21 LEU 25 1HD2 LEU 25 5.467 -14.614 -5.364 199 HD22 LEU 25 2HD2 LEU 25 6.961 -13.975 -6.048 200 HD23 LEU 25 3HD2 LEU 25 6.114 -13.078 -4.788 201 HN1 NH2 26 HN1 NH2 26 5.501 -18.834 -2.176 202 HN2 NH2 26 HN2 NH2 26 6.614 -18.659 -0.895 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -2.326 18.842 3.623 2 H2 GLY 1 2HT GLY 1 -1.171 19.125 4.835 3 H3 GLY 1 3HT GLY 1 -2.633 18.351 5.217 4 HA2 GLY 1 2HA GLY 1 -0.461 17.275 3.501 5 HA3 GLY 1 1HA GLY 1 -0.888 16.720 5.121 6 H VAL 2 H VAL 2 -3.519 17.745 3.195 7 HA VAL 2 HA VAL 2 -4.931 15.360 3.325 8 HB VAL 2 HB VAL 2 -5.990 16.428 1.078 9 HG11 VAL 2 1HG1 VAL 2 -6.237 17.349 3.949 10 HG12 VAL 2 2HG1 VAL 2 -7.276 16.221 3.079 11 HG13 VAL 2 3HG1 VAL 2 -7.303 17.937 2.673 12 HG21 VAL 2 1HG2 VAL 2 -4.786 18.822 2.478 13 HG22 VAL 2 2HG2 VAL 2 -5.613 18.769 0.922 14 HG23 VAL 2 3HG2 VAL 2 -4.002 18.074 1.087 15 H VAL 3 H VAL 3 -3.264 16.633 0.429 16 HA VAL 3 HA VAL 3 -3.544 14.339 -1.146 17 HB VAL 3 HB VAL 3 -1.200 16.246 -1.234 18 HG11 VAL 3 1HG1 VAL 3 -2.637 14.672 -3.393 19 HG12 VAL 3 2HG1 VAL 3 -1.096 14.212 -2.669 20 HG13 VAL 3 3HG1 VAL 3 -1.217 15.693 -3.619 21 HG21 VAL 3 1HG2 VAL 3 -3.143 17.640 -1.196 22 HG22 VAL 3 2HG2 VAL 3 -4.045 16.529 -2.228 23 HG23 VAL 3 3HG2 VAL 3 -2.712 17.471 -2.898 24 H ASP 4 H ASP 4 -1.105 15.206 1.248 25 HA ASP 4 HA ASP 4 0.673 13.052 0.673 26 HB2 ASP 4 2HB ASP 4 1.191 15.199 1.958 27 HB3 ASP 4 1HB ASP 4 0.398 14.439 3.336 28 H ILE 5 H ILE 5 -2.058 13.466 2.872 29 HA ILE 5 HA ILE 5 -1.656 10.904 4.149 30 HB ILE 5 HB ILE 5 -3.922 12.905 4.250 31 HG12 ILE 5 2HG1 ILE 5 -1.947 12.113 6.403 32 HG13 ILE 5 1HG1 ILE 5 -1.624 13.427 5.270 33 HG21 ILE 5 1HG2 ILE 5 -4.553 11.501 6.310 34 HG22 ILE 5 2HG2 ILE 5 -3.520 10.244 5.629 35 HG23 ILE 5 3HG2 ILE 5 -4.933 10.805 4.734 36 HD11 ILE 5 1HD1 ILE 5 -2.650 14.229 7.400 37 HD12 ILE 5 2HD1 ILE 5 -4.076 13.257 7.044 38 HD13 ILE 5 3HD1 ILE 5 -3.639 14.599 5.987 39 H LEU 6 H LEU 6 -3.568 12.190 1.502 40 HA LEU 6 HA LEU 6 -5.437 10.113 1.242 41 HB2 LEU 6 2HB LEU 6 -4.298 12.208 -0.556 42 HB3 LEU 6 1HB LEU 6 -5.212 10.898 -1.293 43 HG LEU 6 HG LEU 6 -6.332 12.363 1.090 44 HD11 LEU 6 1HD1 LEU 6 -6.439 13.232 -1.812 45 HD12 LEU 6 2HD1 LEU 6 -5.793 14.148 -0.450 46 HD13 LEU 6 3HD1 LEU 6 -7.526 13.841 -0.565 47 HD21 LEU 6 1HD2 LEU 6 -7.549 10.388 0.453 48 HD22 LEU 6 2HD2 LEU 6 -7.474 10.818 -1.257 49 HD23 LEU 6 3HD2 LEU 6 -8.475 11.761 -0.153 50 H LYS 7 H LYS 7 -2.307 10.582 -0.415 51 HA LYS 7 HA LYS 7 -2.355 8.115 -1.793 52 HB2 LYS 7 2HB LYS 7 -0.706 10.336 -1.758 53 HB3 LYS 7 1HB LYS 7 0.307 9.066 -1.110 54 HG2 LYS 7 2HG LYS 7 0.680 8.768 -3.371 55 HG3 LYS 7 1HG LYS 7 -0.660 7.658 -3.128 56 HD2 LYS 7 2HD LYS 7 -1.549 8.844 -4.882 57 HD3 LYS 7 1HD LYS 7 -2.024 9.922 -3.573 58 HE2 LYS 7 2HE LYS 7 -0.990 11.396 -5.076 59 HE3 LYS 7 1HE LYS 7 0.308 11.025 -3.939 60 HZ1 LYS 7 1HZ LYS 7 0.980 10.851 -6.290 61 HZ2 LYS 7 2HZ LYS 7 -0.141 9.592 -6.500 62 HZ3 LYS 7 3HZ LYS 7 1.172 9.396 -5.440 63 H GLY 8 H GLY 8 -0.833 9.080 1.271 64 HA2 GLY 8 2HA GLY 8 0.398 6.632 1.873 65 HA3 GLY 8 1HA GLY 8 -0.087 7.839 3.060 66 H ALA 9 H ALA 9 -2.908 7.606 1.988 67 HA ALA 9 HA ALA 9 -3.872 5.740 3.897 68 HB1 ALA 9 1HB ALA 9 -5.077 7.790 2.930 69 HB2 ALA 9 2HB ALA 9 -6.039 6.329 3.152 70 HB3 ALA 9 3HB ALA 9 -5.457 6.766 1.545 71 H ALA 10 H ALA 10 -3.664 5.643 0.345 72 HA ALA 10 HA ALA 10 -4.837 3.141 -0.065 73 HB1 ALA 10 1HB ALA 10 -2.573 4.412 -1.623 74 HB2 ALA 10 2HB ALA 10 -4.292 4.703 -1.891 75 HB3 ALA 10 3HB ALA 10 -3.610 3.105 -2.191 76 H LYS 11 H LYS 11 -1.701 4.004 1.159 77 HA LYS 11 HA LYS 11 -0.238 1.692 0.675 78 HB2 LYS 11 2HB LYS 11 0.458 3.918 1.782 79 HB3 LYS 11 1HB LYS 11 -0.052 3.126 3.261 80 HG2 LYS 11 2HG LYS 11 1.481 1.255 2.824 81 HG3 LYS 11 1HG LYS 11 1.991 2.030 1.323 82 HD2 LYS 11 2HD LYS 11 2.630 4.053 2.763 83 HD3 LYS 11 1HD LYS 11 2.442 2.984 4.155 84 HE2 LYS 11 2HE LYS 11 4.108 1.442 3.222 85 HE3 LYS 11 1HE LYS 11 4.272 2.462 1.793 86 HZ1 LYS 11 1HZ LYS 11 5.335 4.099 2.968 87 HZ2 LYS 11 2HZ LYS 11 5.917 2.715 3.764 88 HZ3 LYS 11 3HZ LYS 11 4.668 3.636 4.457 89 H ASP 12 H ASP 12 -2.710 2.341 3.073 90 HA ASP 12 HA ASP 12 -2.255 0.030 4.672 91 HB2 ASP 12 2HB ASP 12 -3.519 1.928 5.533 92 HB3 ASP 12 1HB ASP 12 -4.747 1.703 4.289 93 H ILE 13 H ILE 13 -4.346 0.709 1.897 94 HA ILE 13 HA ILE 13 -5.719 -1.780 1.922 95 HB ILE 13 HB ILE 13 -5.187 -0.071 -0.510 96 HG12 ILE 13 2HG1 ILE 13 -7.311 0.267 1.634 97 HG13 ILE 13 1HG1 ILE 13 -5.959 1.362 1.350 98 HG21 ILE 13 1HG2 ILE 13 -7.634 -1.676 0.263 99 HG22 ILE 13 2HG2 ILE 13 -6.309 -2.359 -0.679 100 HG23 ILE 13 3HG2 ILE 13 -7.237 -1.004 -1.319 101 HD11 ILE 13 1HD1 ILE 13 -7.851 2.320 0.227 102 HD12 ILE 13 2HD1 ILE 13 -8.274 0.773 -0.508 103 HD13 ILE 13 3HD1 ILE 13 -6.822 1.628 -1.027 104 H ALA 14 H ALA 14 -3.057 -0.601 -0.150 105 HA ALA 14 HA ALA 14 -2.584 -3.076 -1.421 106 HB1 ALA 14 1HB ALA 14 -0.637 -0.805 -0.954 107 HB2 ALA 14 2HB ALA 14 -1.785 -0.896 -2.290 108 HB3 ALA 14 3HB ALA 14 -0.484 -2.081 -2.163 109 H GLY 15 H GLY 15 -1.896 -1.997 1.734 110 HA2 GLY 15 2HA GLY 15 0.498 -3.326 2.336 111 HA3 GLY 15 1HA GLY 15 -0.767 -2.945 3.500 112 H HIS 16 H HIS 16 -2.808 -4.431 3.138 113 HA HIS 16 HA HIS 16 -2.028 -7.065 3.798 114 HB2 HIS 16 2HB HIS 16 -4.441 -7.588 3.644 115 HB3 HIS 16 1HB HIS 16 -4.146 -6.112 4.564 116 HD2 HIS 16 2HD HIS 16 -5.394 -3.851 3.527 117 HE1 HIS 16 1HE HIS 16 -6.602 -5.524 -0.157 118 HE2 HIS 16 2HE HIS 16 -6.757 -3.473 1.332 119 H LEU 17 H LEU 17 -2.403 -5.500 0.785 120 HA LEU 17 HA LEU 17 -2.952 -7.912 -0.729 121 HB2 LEU 17 2HB LEU 17 -3.522 -5.320 -1.199 122 HB3 LEU 17 1HB LEU 17 -2.003 -5.468 -2.075 123 HG LEU 17 HG LEU 17 -3.818 -5.986 -3.596 124 HD11 LEU 17 1HD1 LEU 17 -2.627 -8.641 -2.818 125 HD12 LEU 17 2HD1 LEU 17 -1.621 -7.348 -3.474 126 HD13 LEU 17 3HD1 LEU 17 -2.951 -8.003 -4.430 127 HD21 LEU 17 1HD2 LEU 17 -5.183 -6.932 -1.417 128 HD22 LEU 17 2HD2 LEU 17 -4.663 -8.448 -2.152 129 HD23 LEU 17 3HD2 LEU 17 -5.627 -7.303 -3.083 130 H ALA 18 H ALA 18 -0.231 -5.742 -0.109 131 HA ALA 18 HA ALA 18 1.641 -6.754 -1.882 132 HB1 ALA 18 1HB ALA 18 2.100 -5.807 0.957 133 HB2 ALA 18 2HB ALA 18 2.064 -4.789 -0.482 134 HB3 ALA 18 3HB ALA 18 3.349 -5.979 -0.276 135 H SER 19 H SER 19 0.102 -8.360 0.670 136 HA SER 19 HA SER 19 2.111 -10.143 1.538 137 HB2 SER 19 2HB SER 19 0.428 -11.196 2.695 138 HB3 SER 19 1HB SER 19 -0.400 -9.683 2.341 139 HG SER 19 HG SER 19 -1.604 -11.591 1.776 140 H LYS 20 H LYS 20 -0.397 -10.504 -0.971 141 HA LYS 20 HA LYS 20 0.189 -13.064 -1.839 142 HB2 LYS 20 2HB LYS 20 -1.146 -10.694 -2.933 143 HB3 LYS 20 1HB LYS 20 -0.423 -11.703 -4.179 144 HG2 LYS 20 2HG LYS 20 -2.673 -12.496 -3.812 145 HG3 LYS 20 1HG LYS 20 -1.574 -13.689 -3.124 146 HD2 LYS 20 2HD LYS 20 -1.861 -12.454 -0.898 147 HD3 LYS 20 1HD LYS 20 -3.203 -11.603 -1.662 148 HE2 LYS 20 2HE LYS 20 -4.127 -13.509 -0.511 149 HE3 LYS 20 1HE LYS 20 -4.188 -13.859 -2.239 150 HZ1 LYS 20 1HZ LYS 20 -2.099 -15.084 -2.003 151 HZ2 LYS 20 2HZ LYS 20 -3.332 -15.747 -1.041 152 HZ3 LYS 20 3HZ LYS 20 -2.115 -14.798 -0.331 153 H VAL 21 H VAL 21 1.694 -9.998 -2.812 154 HA VAL 21 HA VAL 21 3.475 -11.194 -4.705 155 HB VAL 21 HB VAL 21 3.878 -8.557 -3.287 156 HG11 VAL 21 1HG1 VAL 21 5.036 -7.953 -5.328 157 HG12 VAL 21 2HG1 VAL 21 4.542 -9.458 -6.105 158 HG13 VAL 21 3HG1 VAL 21 5.690 -9.492 -4.766 159 HG21 VAL 21 1HG2 VAL 21 2.572 -7.642 -5.281 160 HG22 VAL 21 2HG2 VAL 21 1.612 -8.489 -4.068 161 HG23 VAL 21 3HG2 VAL 21 2.038 -9.296 -5.577 162 H MET 22 H MET 22 3.700 -10.290 -1.298 163 HA MET 22 HA MET 22 6.487 -10.861 -1.046 164 HB2 MET 22 2HB MET 22 4.950 -9.421 0.475 165 HB3 MET 22 1HB MET 22 4.573 -10.958 1.239 166 HG2 MET 22 2HG MET 22 6.417 -10.039 2.464 167 HG3 MET 22 1HG MET 22 7.073 -11.339 1.469 168 HE1 MET 22 1HE MET 22 8.419 -8.209 2.739 169 HE2 MET 22 2HE MET 22 9.805 -8.589 1.719 170 HE3 MET 22 3HE MET 22 8.979 -9.880 2.588 171 H ASN 23 H ASN 23 3.576 -12.741 -0.894 172 HA ASN 23 HA ASN 23 4.661 -14.973 0.505 173 HB2 ASN 23 2HB ASN 23 2.143 -14.229 -0.712 174 HB3 ASN 23 1HB ASN 23 2.539 -15.907 -1.064 175 HD21 ASN 23 1HD2 ASN 23 1.778 -13.626 1.532 176 HD22 ASN 23 2HD2 ASN 23 1.584 -14.800 2.743 177 H LYS 24 H LYS 24 4.654 -13.934 -2.812 178 HA LYS 24 HA LYS 24 5.115 -16.347 -4.128 179 HB2 LYS 24 2HB LYS 24 4.713 -13.961 -5.055 180 HB3 LYS 24 1HB LYS 24 6.460 -13.846 -4.967 181 HG2 LYS 24 2HG LYS 24 6.199 -14.677 -7.125 182 HG3 LYS 24 1HG LYS 24 6.403 -16.169 -6.207 183 HD2 LYS 24 2HD LYS 24 3.986 -16.489 -6.108 184 HD3 LYS 24 1HD LYS 24 3.719 -14.937 -6.901 185 HE2 LYS 24 2HE LYS 24 3.583 -16.973 -8.423 186 HE3 LYS 24 1HE LYS 24 4.699 -15.711 -8.946 187 HZ1 LYS 24 1HZ LYS 24 5.493 -18.141 -8.919 188 HZ2 LYS 24 2HZ LYS 24 5.642 -17.921 -7.241 189 HZ3 LYS 24 3HZ LYS 24 6.526 -16.941 -8.310 190 H LEU 25 H LEU 25 7.484 -14.015 -2.856 191 HA LEU 25 HA LEU 25 9.800 -15.360 -3.574 192 HB2 LEU 25 2HB LEU 25 10.916 -13.934 -2.105 193 HB3 LEU 25 1HB LEU 25 9.454 -13.034 -2.479 194 HG LEU 25 HG LEU 25 8.557 -14.417 -0.336 195 HD11 LEU 25 1HD1 LEU 25 11.337 -13.776 0.589 196 HD12 LEU 25 2HD1 LEU 25 11.068 -15.312 -0.232 197 HD13 LEU 25 3HD1 LEU 25 10.178 -14.933 1.241 198 HD21 LEU 25 1HD2 LEU 25 9.113 -12.389 1.007 199 HD22 LEU 25 2HD2 LEU 25 8.465 -11.986 -0.583 200 HD23 LEU 25 3HD2 LEU 25 10.198 -11.864 -0.281 201 HN1 NH2 26 HN1 NH2 26 7.509 -16.196 -1.051 202 HN2 NH2 26 HN2 NH2 26 8.408 -17.499 -0.416 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -2.384 18.633 5.020 2 H2 GLY 1 2HT GLY 1 -2.276 17.675 3.620 3 H3 GLY 1 3HT GLY 1 -0.937 17.827 4.654 4 HA2 GLY 1 2HA GLY 1 -1.594 15.948 5.613 5 HA3 GLY 1 1HA GLY 1 -2.900 16.911 6.306 6 H VAL 2 H VAL 2 -4.524 17.466 4.242 7 HA VAL 2 HA VAL 2 -6.070 15.190 3.893 8 HB VAL 2 HB VAL 2 -6.813 16.613 1.721 9 HG11 VAL 2 1HG1 VAL 2 -8.262 17.931 3.298 10 HG12 VAL 2 2HG1 VAL 2 -7.308 17.288 4.635 11 HG13 VAL 2 3HG1 VAL 2 -8.257 16.198 3.624 12 HG21 VAL 2 1HG2 VAL 2 -6.290 18.924 1.926 13 HG22 VAL 2 2HG2 VAL 2 -4.748 18.096 2.140 14 HG23 VAL 2 3HG2 VAL 2 -5.620 18.712 3.543 15 H VAL 3 H VAL 3 -4.027 16.712 1.382 16 HA VAL 3 HA VAL 3 -4.252 14.579 -0.455 17 HB VAL 3 HB VAL 3 -1.992 16.578 -0.215 18 HG11 VAL 3 1HG1 VAL 3 -1.976 16.199 -2.735 19 HG12 VAL 3 2HG1 VAL 3 -3.042 14.824 -2.448 20 HG13 VAL 3 3HG1 VAL 3 -1.418 14.838 -1.762 21 HG21 VAL 3 1HG2 VAL 3 -4.199 17.689 -0.267 22 HG22 VAL 3 2HG2 VAL 3 -4.637 16.755 -1.696 23 HG23 VAL 3 3HG2 VAL 3 -3.335 17.940 -1.783 24 H ASP 4 H ASP 4 -1.808 15.346 2.003 25 HA ASP 4 HA ASP 4 0.058 13.367 1.401 26 HB2 ASP 4 2HB ASP 4 -0.504 14.041 4.257 27 HB3 ASP 4 1HB ASP 4 1.036 13.908 3.416 28 H ILE 5 H ILE 5 -2.758 13.228 3.573 29 HA ILE 5 HA ILE 5 -2.329 10.530 4.377 30 HB ILE 5 HB ILE 5 -4.801 12.273 4.436 31 HG12 ILE 5 2HG1 ILE 5 -3.041 11.383 6.729 32 HG13 ILE 5 1HG1 ILE 5 -2.696 12.850 5.813 33 HG21 ILE 5 1HG2 ILE 5 -5.594 10.023 4.500 34 HG22 ILE 5 2HG2 ILE 5 -5.518 10.541 6.184 35 HG23 ILE 5 3HG2 ILE 5 -4.254 9.503 5.523 36 HD11 ILE 5 1HD1 ILE 5 -4.852 13.791 6.383 37 HD12 ILE 5 2HD1 ILE 5 -4.082 13.249 7.874 38 HD13 ILE 5 3HD1 ILE 5 -5.360 12.281 7.139 39 H LEU 6 H LEU 6 -4.228 12.034 1.798 40 HA LEU 6 HA LEU 6 -5.709 9.810 0.985 41 HB2 LEU 6 2HB LEU 6 -4.751 12.324 -0.310 42 HB3 LEU 6 1HB LEU 6 -5.398 11.062 -1.348 43 HG LEU 6 HG LEU 6 -6.934 11.839 1.113 44 HD11 LEU 6 1HD1 LEU 6 -6.792 13.389 -1.483 45 HD12 LEU 6 2HD1 LEU 6 -6.544 13.999 0.153 46 HD13 LEU 6 3HD1 LEU 6 -8.156 13.510 -0.372 47 HD21 LEU 6 1HD2 LEU 6 -7.529 9.896 -0.428 48 HD22 LEU 6 2HD2 LEU 6 -7.868 11.097 -1.673 49 HD23 LEU 6 3HD2 LEU 6 -8.811 11.081 -0.184 50 H LYS 7 H LYS 7 -2.558 10.969 -0.237 51 HA LYS 7 HA LYS 7 -2.156 8.741 -1.960 52 HB2 LYS 7 2HB LYS 7 -0.963 11.184 -1.654 53 HB3 LYS 7 1HB LYS 7 0.245 10.101 -0.999 54 HG2 LYS 7 2HG LYS 7 0.814 10.061 -3.242 55 HG3 LYS 7 1HG LYS 7 -0.262 8.674 -3.159 56 HD2 LYS 7 2HD LYS 7 -1.271 9.765 -4.913 57 HD3 LYS 7 1HD LYS 7 -2.065 10.599 -3.582 58 HE2 LYS 7 2HE LYS 7 -1.302 12.375 -4.919 59 HE3 LYS 7 1HE LYS 7 -0.052 12.236 -3.681 60 HZ1 LYS 7 1HZ LYS 7 0.418 12.213 -6.321 61 HZ2 LYS 7 2HZ LYS 7 0.335 10.547 -5.995 62 HZ3 LYS 7 3HZ LYS 7 1.448 11.525 -5.162 63 H GLY 8 H GLY 8 -0.863 9.572 1.248 64 HA2 GLY 8 2HA GLY 8 0.710 7.263 1.585 65 HA3 GLY 8 1HA GLY 8 0.102 8.278 2.886 66 H ALA 9 H ALA 9 -2.689 7.790 1.821 67 HA ALA 9 HA ALA 9 -3.302 5.555 3.506 68 HB1 ALA 9 1HB ALA 9 -4.944 7.289 1.664 69 HB2 ALA 9 2HB ALA 9 -4.945 7.260 3.427 70 HB3 ALA 9 3HB ALA 9 -5.641 5.916 2.522 71 H ALA 10 H ALA 10 -3.174 6.096 0.010 72 HA ALA 10 HA ALA 10 -4.287 3.687 -0.862 73 HB1 ALA 10 1HB ALA 10 -3.564 5.727 -2.246 74 HB2 ALA 10 2HB ALA 10 -3.296 4.138 -2.960 75 HB3 ALA 10 3HB ALA 10 -1.951 5.015 -2.230 76 H LYS 11 H LYS 11 -1.182 4.368 0.549 77 HA LYS 11 HA LYS 11 0.160 2.016 -0.318 78 HB2 LYS 11 2HB LYS 11 1.081 4.229 0.736 79 HB3 LYS 11 1HB LYS 11 0.827 3.353 2.234 80 HG2 LYS 11 2HG LYS 11 2.189 1.473 1.367 81 HG3 LYS 11 1HG LYS 11 2.488 2.399 -0.105 82 HD2 LYS 11 2HD LYS 11 3.556 4.180 1.227 83 HD3 LYS 11 1HD LYS 11 3.262 3.255 2.700 84 HE2 LYS 11 2HE LYS 11 4.743 1.513 2.023 85 HE3 LYS 11 1HE LYS 11 4.820 2.124 0.370 86 HZ1 LYS 11 1HZ LYS 11 6.716 3.033 1.153 87 HZ2 LYS 11 2HZ LYS 11 6.185 3.061 2.766 88 HZ3 LYS 11 3HZ LYS 11 5.663 4.255 1.676 89 H ASP 12 H ASP 12 -1.984 2.766 2.330 90 HA ASP 12 HA ASP 12 -1.438 0.546 3.984 91 HB2 ASP 12 2HB ASP 12 -2.752 2.485 4.734 92 HB3 ASP 12 1HB ASP 12 -4.038 2.051 3.609 93 H ILE 13 H ILE 13 -3.757 1.004 1.334 94 HA ILE 13 HA ILE 13 -4.989 -1.536 1.532 95 HB ILE 13 HB ILE 13 -4.669 0.306 -0.848 96 HG12 ILE 13 2HG1 ILE 13 -7.053 -0.132 0.972 97 HG13 ILE 13 1HG1 ILE 13 -5.883 1.165 1.213 98 HG21 ILE 13 1HG2 ILE 13 -5.202 -1.870 -1.692 99 HG22 ILE 13 2HG2 ILE 13 -6.724 -0.982 -1.638 100 HG23 ILE 13 3HG2 ILE 13 -6.350 -2.168 -0.387 101 HD11 ILE 13 1HD1 ILE 13 -7.734 2.062 -0.064 102 HD12 ILE 13 2HD1 ILE 13 -7.638 0.732 -1.218 103 HD13 ILE 13 3HD1 ILE 13 -6.343 1.926 -1.139 104 H ALA 14 H ALA 14 -2.468 -0.360 -0.710 105 HA ALA 14 HA ALA 14 -1.962 -2.853 -1.922 106 HB1 ALA 14 1HB ALA 14 0.106 -0.689 -1.564 107 HB2 ALA 14 2HB ALA 14 -1.232 -0.522 -2.701 108 HB3 ALA 14 3HB ALA 14 -0.065 -1.829 -2.898 109 H GLY 15 H GLY 15 -1.261 -1.729 1.200 110 HA2 GLY 15 2HA GLY 15 1.193 -2.964 1.776 111 HA3 GLY 15 1HA GLY 15 -0.066 -2.613 2.955 112 H HIS 16 H HIS 16 -2.074 -4.171 2.587 113 HA HIS 16 HA HIS 16 -1.199 -6.771 3.289 114 HB2 HIS 16 2HB HIS 16 -3.621 -7.364 3.095 115 HB3 HIS 16 1HB HIS 16 -3.326 -5.940 4.093 116 HD2 HIS 16 2HD HIS 16 -4.798 -3.746 3.290 117 HE1 HIS 16 1HE HIS 16 -5.686 -5.024 -0.635 118 HE2 HIS 16 2HE HIS 16 -6.082 -3.196 1.083 119 H LEU 17 H LEU 17 -1.630 -5.258 0.260 120 HA LEU 17 HA LEU 17 -2.157 -7.685 -1.227 121 HB2 LEU 17 2HB LEU 17 -2.740 -5.116 -1.737 122 HB3 LEU 17 1HB LEU 17 -1.201 -5.244 -2.581 123 HG LEU 17 HG LEU 17 -2.971 -5.799 -4.137 124 HD11 LEU 17 1HD1 LEU 17 -0.770 -7.120 -3.987 125 HD12 LEU 17 2HD1 LEU 17 -2.082 -7.838 -4.921 126 HD13 LEU 17 3HD1 LEU 17 -1.742 -8.417 -3.291 127 HD21 LEU 17 1HD2 LEU 17 -4.380 -6.739 -1.989 128 HD22 LEU 17 2HD2 LEU 17 -3.819 -8.257 -2.686 129 HD23 LEU 17 3HD2 LEU 17 -4.772 -7.141 -3.660 130 H ALA 18 H ALA 18 0.542 -5.378 -0.952 131 HA ALA 18 HA ALA 18 2.363 -6.705 -2.595 132 HB1 ALA 18 1HB ALA 18 4.106 -5.490 -1.360 133 HB2 ALA 18 2HB ALA 18 2.941 -5.099 -0.094 134 HB3 ALA 18 3HB ALA 18 2.736 -4.438 -1.716 135 H SER 19 H SER 19 1.099 -7.630 0.434 136 HA SER 19 HA SER 19 3.338 -9.278 1.240 137 HB2 SER 19 2HB SER 19 2.149 -9.667 3.179 138 HB3 SER 19 1HB SER 19 1.407 -8.149 2.678 139 HG SER 19 HG SER 19 -0.093 -9.625 1.477 140 H LYS 20 H LYS 20 0.008 -9.908 0.120 141 HA LYS 20 HA LYS 20 0.023 -12.645 -0.003 142 HB2 LYS 20 2HB LYS 20 -1.554 -10.553 -1.090 143 HB3 LYS 20 1HB LYS 20 -1.185 -11.638 -2.427 144 HG2 LYS 20 2HG LYS 20 -3.162 -12.530 -1.478 145 HG3 LYS 20 1HG LYS 20 -1.877 -13.548 -0.827 146 HD2 LYS 20 2HD LYS 20 -1.867 -12.276 1.256 147 HD3 LYS 20 1HD LYS 20 -3.051 -11.143 0.604 148 HE2 LYS 20 2HE LYS 20 -4.759 -12.810 0.547 149 HE3 LYS 20 1HE LYS 20 -3.599 -14.108 0.825 150 HZ1 LYS 20 1HZ LYS 20 -4.637 -12.110 2.717 151 HZ2 LYS 20 2HZ LYS 20 -3.107 -12.801 2.981 152 HZ3 LYS 20 3HZ LYS 20 -4.488 -13.788 2.906 153 H VAL 21 H VAL 21 1.550 -10.382 -2.228 154 HA VAL 21 HA VAL 21 2.263 -12.335 -4.190 155 HB VAL 21 HB VAL 21 3.486 -9.623 -3.627 156 HG11 VAL 21 1HG1 VAL 21 3.665 -11.554 -5.948 157 HG12 VAL 21 2HG1 VAL 21 4.989 -10.869 -5.005 158 HG13 VAL 21 3HG1 VAL 21 4.068 -9.844 -6.106 159 HG21 VAL 21 1HG2 VAL 21 1.049 -9.549 -4.093 160 HG22 VAL 21 2HG2 VAL 21 1.315 -10.469 -5.574 161 HG23 VAL 21 3HG2 VAL 21 1.982 -8.844 -5.413 162 H MET 22 H MET 22 4.144 -10.656 -1.662 163 HA MET 22 HA MET 22 6.523 -12.123 -2.058 164 HB2 MET 22 2HB MET 22 6.581 -10.020 -0.894 165 HB3 MET 22 1HB MET 22 5.501 -10.646 0.344 166 HG2 MET 22 2HG MET 22 8.071 -12.093 -0.193 167 HG3 MET 22 1HG MET 22 8.105 -10.617 0.770 168 HE1 MET 22 1HE MET 22 8.346 -10.966 3.190 169 HE2 MET 22 2HE MET 22 9.229 -12.306 2.461 170 HE3 MET 22 3HE MET 22 8.217 -12.592 3.875 171 H ASN 23 H ASN 23 3.598 -12.803 -0.327 172 HA ASN 23 HA ASN 23 4.571 -14.776 1.441 173 HB2 ASN 23 2HB ASN 23 2.024 -13.698 0.653 174 HB3 ASN 23 1HB ASN 23 1.921 -15.453 0.742 175 HD21 ASN 23 1HD2 ASN 23 2.851 -12.566 2.650 176 HD22 ASN 23 2HD2 ASN 23 2.621 -13.302 4.162 177 H LYS 24 H LYS 24 3.762 -14.834 -1.948 178 HA LYS 24 HA LYS 24 3.540 -17.671 -2.185 179 HB2 LYS 24 2HB LYS 24 2.734 -15.735 -3.769 180 HB3 LYS 24 1HB LYS 24 4.326 -15.966 -4.465 181 HG2 LYS 24 2HG LYS 24 3.073 -17.479 -5.722 182 HG3 LYS 24 1HG LYS 24 3.683 -18.515 -4.433 183 HD2 LYS 24 2HD LYS 24 1.594 -18.282 -3.197 184 HD3 LYS 24 1HD LYS 24 0.988 -17.123 -4.381 185 HE2 LYS 24 2HE LYS 24 0.006 -19.232 -4.948 186 HE3 LYS 24 1HE LYS 24 1.280 -18.946 -6.133 187 HZ1 LYS 24 1HZ LYS 24 2.457 -20.215 -3.964 188 HZ2 LYS 24 2HZ LYS 24 2.188 -20.850 -5.516 189 HZ3 LYS 24 3HZ LYS 24 1.028 -21.067 -4.294 190 H LEU 25 H LEU 25 6.076 -15.414 -3.289 191 HA LEU 25 HA LEU 25 7.933 -17.512 -3.804 192 HB2 LEU 25 2HB LEU 25 9.529 -15.473 -3.912 193 HB3 LEU 25 1HB LEU 25 8.256 -15.609 -5.118 194 HG LEU 25 HG LEU 25 7.435 -14.200 -2.652 195 HD11 LEU 25 1HD1 LEU 25 9.584 -13.078 -4.469 196 HD12 LEU 25 2HD1 LEU 25 9.676 -13.309 -2.723 197 HD13 LEU 25 3HD1 LEU 25 8.599 -12.084 -3.395 198 HD21 LEU 25 1HD2 LEU 25 6.040 -14.341 -4.687 199 HD22 LEU 25 2HD2 LEU 25 7.305 -13.529 -5.611 200 HD23 LEU 25 3HD2 LEU 25 6.457 -12.665 -4.329 201 HN1 NH2 26 HN1 NH2 26 6.850 -17.253 -0.957 202 HN2 NH2 26 HN2 NH2 26 8.249 -17.156 0.013 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -4.327 17.951 6.326 2 H2 GLY 1 2HT GLY 1 -4.682 16.311 6.057 3 H3 GLY 1 3HT GLY 1 -5.815 17.507 5.643 4 HA2 GLY 1 2HA GLY 1 -4.454 18.328 3.893 5 HA3 GLY 1 1HA GLY 1 -3.132 17.276 4.400 6 H VAL 2 H VAL 2 -6.001 17.527 2.547 7 HA VAL 2 HA VAL 2 -6.871 14.905 2.291 8 HB VAL 2 HB VAL 2 -7.231 15.785 -0.240 9 HG11 VAL 2 1HG1 VAL 2 -9.315 16.904 0.644 10 HG12 VAL 2 2HG1 VAL 2 -8.683 16.661 2.272 11 HG13 VAL 2 3HG1 VAL 2 -9.056 15.270 1.254 12 HG21 VAL 2 1HG2 VAL 2 -7.280 18.155 -0.380 13 HG22 VAL 2 2HG2 VAL 2 -5.738 17.794 0.395 14 HG23 VAL 2 3HG2 VAL 2 -7.104 18.344 1.364 15 H VAL 3 H VAL 3 -4.554 16.546 0.114 16 HA VAL 3 HA VAL 3 -3.790 14.240 -1.296 17 HB VAL 3 HB VAL 3 -2.055 16.658 -0.759 18 HG11 VAL 3 1HG1 VAL 3 -0.954 14.739 -1.866 19 HG12 VAL 3 2HG1 VAL 3 -1.135 16.096 -2.978 20 HG13 VAL 3 3HG1 VAL 3 -2.228 14.716 -3.086 21 HG21 VAL 3 1HG2 VAL 3 -4.313 17.337 -1.511 22 HG22 VAL 3 2HG2 VAL 3 -4.190 16.228 -2.876 23 HG23 VAL 3 3HG2 VAL 3 -3.113 17.622 -2.771 24 H ASP 4 H ASP 4 -2.647 15.609 1.731 25 HA ASP 4 HA ASP 4 -0.305 13.999 1.958 26 HB2 ASP 4 2HB ASP 4 -0.809 16.151 3.215 27 HB3 ASP 4 1HB ASP 4 -1.873 15.193 4.243 28 H ILE 5 H ILE 5 -3.652 13.630 3.033 29 HA ILE 5 HA ILE 5 -3.097 11.192 4.488 30 HB ILE 5 HB ILE 5 -5.691 12.544 3.714 31 HG12 ILE 5 2HG1 ILE 5 -4.422 12.268 6.446 32 HG13 ILE 5 1HG1 ILE 5 -4.070 13.635 5.388 33 HG21 ILE 5 1HG2 ILE 5 -5.097 10.073 5.356 34 HG22 ILE 5 2HG2 ILE 5 -6.200 10.227 3.988 35 HG23 ILE 5 3HG2 ILE 5 -6.598 10.983 5.531 36 HD11 ILE 5 1HD1 ILE 5 -5.910 14.162 6.958 37 HD12 ILE 5 2HD1 ILE 5 -6.837 12.808 6.315 38 HD13 ILE 5 3HD1 ILE 5 -6.464 14.189 5.284 39 H LEU 6 H LEU 6 -4.286 12.085 1.303 40 HA LEU 6 HA LEU 6 -5.379 9.626 0.519 41 HB2 LEU 6 2HB LEU 6 -4.251 12.008 -0.884 42 HB3 LEU 6 1HB LEU 6 -4.529 10.548 -1.825 43 HG LEU 6 HG LEU 6 -6.703 11.540 -0.005 44 HD11 LEU 6 1HD1 LEU 6 -6.019 12.644 -2.743 45 HD12 LEU 6 2HD1 LEU 6 -6.124 13.544 -1.230 46 HD13 LEU 6 3HD1 LEU 6 -7.581 12.869 -1.957 47 HD21 LEU 6 1HD2 LEU 6 -8.112 10.525 -1.779 48 HD22 LEU 6 2HD2 LEU 6 -6.948 9.366 -1.140 49 HD23 LEU 6 3HD2 LEU 6 -6.659 10.137 -2.699 50 H LYS 7 H LYS 7 -2.094 10.919 -0.016 51 HA LYS 7 HA LYS 7 -1.029 8.666 -1.285 52 HB2 LYS 7 2HB LYS 7 -0.077 11.125 -0.663 53 HB3 LYS 7 1HB LYS 7 0.791 10.135 0.486 54 HG2 LYS 7 2HG LYS 7 2.218 9.972 -1.318 55 HG3 LYS 7 1HG LYS 7 1.195 8.579 -1.624 56 HD2 LYS 7 2HD LYS 7 0.991 9.575 -3.681 57 HD3 LYS 7 1HD LYS 7 -0.259 10.476 -2.832 58 HE2 LYS 7 2HE LYS 7 1.030 12.169 -3.847 59 HE3 LYS 7 1HE LYS 7 1.629 12.121 -2.189 60 HZ1 LYS 7 1HZ LYS 7 3.043 10.231 -3.686 61 HZ2 LYS 7 2HZ LYS 7 3.631 11.652 -2.964 62 HZ3 LYS 7 3HZ LYS 7 3.051 11.685 -4.561 63 H GLY 8 H GLY 8 -1.031 9.540 2.162 64 HA2 GLY 8 2HA GLY 8 0.400 7.324 3.114 65 HA3 GLY 8 1HA GLY 8 -0.750 8.264 4.058 66 H ALA 9 H ALA 9 -2.842 7.612 1.971 67 HA ALA 9 HA ALA 9 -3.862 5.252 3.270 68 HB1 ALA 9 1HB ALA 9 -5.853 5.634 2.045 69 HB2 ALA 9 2HB ALA 9 -5.006 6.553 0.801 70 HB3 ALA 9 3HB ALA 9 -5.227 7.242 2.410 71 H ALA 10 H ALA 10 -2.745 6.049 -0.014 72 HA ALA 10 HA ALA 10 -3.195 3.525 -1.170 73 HB1 ALA 10 1HB ALA 10 -2.744 5.382 -2.607 74 HB2 ALA 10 2HB ALA 10 -1.402 4.255 -2.803 75 HB3 ALA 10 3HB ALA 10 -1.202 5.703 -1.815 76 H LYS 11 H LYS 11 -0.692 4.692 0.943 77 HA LYS 11 HA LYS 11 1.191 2.604 0.393 78 HB2 LYS 11 2HB LYS 11 1.526 4.970 1.485 79 HB3 LYS 11 1HB LYS 11 1.174 4.079 2.954 80 HG2 LYS 11 2HG LYS 11 2.940 2.388 2.190 81 HG3 LYS 11 1HG LYS 11 3.423 3.604 1.007 82 HD2 LYS 11 2HD LYS 11 3.595 5.235 2.977 83 HD3 LYS 11 1HD LYS 11 3.483 3.817 4.021 84 HE2 LYS 11 2HE LYS 11 5.818 4.196 3.710 85 HE3 LYS 11 1HE LYS 11 5.415 2.839 2.660 86 HZ1 LYS 11 1HZ LYS 11 6.563 5.252 1.930 87 HZ2 LYS 11 2HZ LYS 11 4.986 5.272 1.297 88 HZ3 LYS 11 3HZ LYS 11 6.047 4.004 0.905 89 H ASP 12 H ASP 12 -1.432 3.091 2.666 90 HA ASP 12 HA ASP 12 -0.818 0.917 4.391 91 HB2 ASP 12 2HB ASP 12 -2.369 2.806 4.943 92 HB3 ASP 12 1HB ASP 12 -3.538 2.112 3.822 93 H ILE 13 H ILE 13 -2.930 1.233 1.553 94 HA ILE 13 HA ILE 13 -4.046 -1.340 1.604 95 HB ILE 13 HB ILE 13 -3.414 0.450 -0.755 96 HG12 ILE 13 2HG1 ILE 13 -6.040 -0.025 0.682 97 HG13 ILE 13 1HG1 ILE 13 -4.959 1.312 1.074 98 HG21 ILE 13 1HG2 ILE 13 -5.066 -2.072 -0.488 99 HG22 ILE 13 2HG2 ILE 13 -3.748 -1.756 -1.616 100 HG23 ILE 13 3HG2 ILE 13 -5.292 -0.926 -1.809 101 HD11 ILE 13 1HD1 ILE 13 -6.821 1.842 -0.593 102 HD12 ILE 13 2HD1 ILE 13 -5.961 0.809 -1.735 103 HD13 ILE 13 3HD1 ILE 13 -5.188 2.263 -1.105 104 H ALA 14 H ALA 14 -1.134 -0.139 -0.055 105 HA ALA 14 HA ALA 14 -0.398 -2.550 -1.290 106 HB1 ALA 14 1HB ALA 14 1.352 -0.288 -0.299 107 HB2 ALA 14 2HB ALA 14 0.625 -0.419 -1.900 108 HB3 ALA 14 3HB ALA 14 1.872 -1.562 -1.401 109 H GLY 15 H GLY 15 -0.417 -1.681 1.998 110 HA2 GLY 15 2HA GLY 15 1.779 -3.110 3.015 111 HA3 GLY 15 1HA GLY 15 0.308 -2.738 3.907 112 H HIS 16 H HIS 16 -1.648 -4.134 3.050 113 HA HIS 16 HA HIS 16 -0.979 -6.858 3.620 114 HB2 HIS 16 2HB HIS 16 -3.392 -7.271 3.263 115 HB3 HIS 16 1HB HIS 16 -3.108 -5.913 4.350 116 HD2 HIS 16 2HD HIS 16 -3.816 -3.364 3.287 117 HE1 HIS 16 1HE HIS 16 -5.526 -4.848 -0.276 118 HE2 HIS 16 2HE HIS 16 -5.228 -2.781 1.169 119 H LEU 17 H LEU 17 -1.060 -5.006 0.760 120 HA LEU 17 HA LEU 17 -1.679 -7.179 -1.035 121 HB2 LEU 17 2HB LEU 17 -1.891 -4.509 -1.280 122 HB3 LEU 17 1HB LEU 17 -0.313 -4.758 -2.017 123 HG LEU 17 HG LEU 17 -1.998 -4.900 -3.752 124 HD11 LEU 17 1HD1 LEU 17 -1.202 -7.740 -3.140 125 HD12 LEU 17 2HD1 LEU 17 -0.002 -6.525 -3.581 126 HD13 LEU 17 3HD1 LEU 17 -1.297 -6.935 -4.705 127 HD21 LEU 17 1HD2 LEU 17 -3.275 -7.361 -2.663 128 HD22 LEU 17 2HD2 LEU 17 -3.990 -6.026 -3.564 129 HD23 LEU 17 3HD2 LEU 17 -3.696 -5.861 -1.834 130 H ALA 18 H ALA 18 1.223 -5.362 -0.094 131 HA ALA 18 HA ALA 18 3.076 -6.581 -1.773 132 HB1 ALA 18 1HB ALA 18 3.647 -4.654 -0.389 133 HB2 ALA 18 2HB ALA 18 4.760 -5.981 -0.055 134 HB3 ALA 18 3HB ALA 18 3.454 -5.621 1.074 135 H SER 19 H SER 19 1.301 -7.924 0.815 136 HA SER 19 HA SER 19 3.176 -10.047 1.423 137 HB2 SER 19 2HB SER 19 1.789 -10.522 3.168 138 HB3 SER 19 1HB SER 19 1.134 -8.925 2.822 139 HG SER 19 HG SER 19 -0.627 -10.138 2.688 140 H LYS 20 H LYS 20 0.125 -9.698 -0.350 141 HA LYS 20 HA LYS 20 -0.450 -12.291 -1.019 142 HB2 LYS 20 2HB LYS 20 -1.243 -9.756 -1.915 143 HB3 LYS 20 1HB LYS 20 -0.688 -10.581 -3.368 144 HG2 LYS 20 2HG LYS 20 -2.969 -11.178 -3.213 145 HG3 LYS 20 1HG LYS 20 -2.121 -12.576 -2.556 146 HD2 LYS 20 2HD LYS 20 -2.600 -11.925 -0.302 147 HD3 LYS 20 1HD LYS 20 -3.147 -10.326 -0.809 148 HE2 LYS 20 2HE LYS 20 -5.010 -11.948 -0.268 149 HE3 LYS 20 1HE LYS 20 -5.093 -11.249 -1.884 150 HZ1 LYS 20 1HZ LYS 20 -4.955 -13.261 -2.758 151 HZ2 LYS 20 2HZ LYS 20 -4.983 -13.938 -1.199 152 HZ3 LYS 20 3HZ LYS 20 -3.500 -13.569 -1.943 153 H VAL 21 H VAL 21 1.768 -10.130 -2.793 154 HA VAL 21 HA VAL 21 2.595 -12.029 -4.707 155 HB VAL 21 HB VAL 21 4.151 -9.676 -3.608 156 HG11 VAL 21 1HG1 VAL 21 5.175 -9.760 -5.914 157 HG12 VAL 21 2HG1 VAL 21 4.362 -11.306 -6.155 158 HG13 VAL 21 3HG1 VAL 21 5.583 -11.139 -4.893 159 HG21 VAL 21 1HG2 VAL 21 3.137 -8.394 -5.402 160 HG22 VAL 21 2HG2 VAL 21 1.842 -9.146 -4.469 161 HG23 VAL 21 3HG2 VAL 21 2.321 -9.829 -6.023 162 H MET 22 H MET 22 3.977 -11.100 -1.568 163 HA MET 22 HA MET 22 6.214 -12.838 -1.703 164 HB2 MET 22 2HB MET 22 5.721 -10.819 -0.123 165 HB3 MET 22 1HB MET 22 4.962 -12.045 0.883 166 HG2 MET 22 2HG MET 22 7.144 -12.103 1.694 167 HG3 MET 22 1HG MET 22 7.206 -13.367 0.465 168 HE1 MET 22 1HE MET 22 9.553 -12.334 1.613 169 HE2 MET 22 2HE MET 22 10.642 -11.517 0.494 170 HE3 MET 22 3HE MET 22 10.003 -13.108 0.087 171 H ASN 23 H ASN 23 2.888 -13.285 -0.802 172 HA ASN 23 HA ASN 23 3.184 -15.672 0.692 173 HB2 ASN 23 2HB ASN 23 1.039 -14.024 -0.270 174 HB3 ASN 23 1HB ASN 23 0.664 -15.713 -0.592 175 HD21 ASN 23 1HD2 ASN 23 0.400 -13.344 1.773 176 HD22 ASN 23 2HD2 ASN 23 0.256 -14.348 3.133 177 H LYS 24 H LYS 24 3.082 -14.986 -2.722 178 HA LYS 24 HA LYS 24 2.514 -17.657 -3.569 179 HB2 LYS 24 2HB LYS 24 2.296 -15.369 -4.838 180 HB3 LYS 24 1HB LYS 24 3.950 -15.733 -5.290 181 HG2 LYS 24 2HG LYS 24 2.793 -16.775 -7.023 182 HG3 LYS 24 1HG LYS 24 2.982 -18.107 -5.885 183 HD2 LYS 24 2HD LYS 24 0.737 -17.764 -5.024 184 HD3 LYS 24 1HD LYS 24 0.545 -16.304 -5.996 185 HE2 LYS 24 2HE LYS 24 0.541 -17.543 -8.035 186 HE3 LYS 24 1HE LYS 24 1.119 -19.003 -7.231 187 HZ1 LYS 24 1HZ LYS 24 -1.222 -18.167 -5.952 188 HZ2 LYS 24 2HZ LYS 24 -0.967 -19.582 -6.859 189 HZ3 LYS 24 3HZ LYS 24 -1.524 -18.169 -7.621 190 H LEU 25 H LEU 25 5.497 -15.706 -3.752 191 HA LEU 25 HA LEU 25 7.156 -17.858 -4.492 192 HB2 LEU 25 2HB LEU 25 8.946 -16.343 -4.208 193 HB3 LEU 25 1HB LEU 25 7.588 -15.353 -4.717 194 HG LEU 25 HG LEU 25 7.140 -15.061 -2.163 195 HD11 LEU 25 1HD1 LEU 25 8.581 -16.146 -0.808 196 HD12 LEU 25 2HD1 LEU 25 9.828 -15.024 -1.345 197 HD13 LEU 25 3HD1 LEU 25 9.633 -16.576 -2.155 198 HD21 LEU 25 1HD2 LEU 25 8.927 -13.207 -2.130 199 HD22 LEU 25 2HD2 LEU 25 7.759 -13.163 -3.450 200 HD23 LEU 25 3HD2 LEU 25 9.386 -13.783 -3.731 201 HN1 NH2 26 HN1 NH2 26 5.906 -16.913 -1.368 202 HN2 NH2 26 HN2 NH2 26 6.846 -18.001 -0.451 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -4.151 18.984 6.069 2 H2 GLY 1 2HT GLY 1 -5.382 18.205 5.197 3 H3 GLY 1 3HT GLY 1 -4.371 19.329 4.423 4 HA2 GLY 1 2HA GLY 1 -2.671 17.885 4.183 5 HA3 GLY 1 1HA GLY 1 -3.059 17.059 5.693 6 H VAL 2 H VAL 2 -5.592 17.730 3.420 7 HA VAL 2 HA VAL 2 -6.546 15.127 3.271 8 HB VAL 2 HB VAL 2 -7.413 16.094 0.904 9 HG11 VAL 2 1HG1 VAL 2 -9.251 17.189 2.221 10 HG12 VAL 2 2HG1 VAL 2 -8.289 16.947 3.679 11 HG13 VAL 2 3HG1 VAL 2 -8.873 15.556 2.765 12 HG21 VAL 2 1HG2 VAL 2 -7.442 18.468 0.842 13 HG22 VAL 2 2HG2 VAL 2 -5.779 18.061 1.260 14 HG23 VAL 2 3HG2 VAL 2 -6.897 18.601 2.513 15 H VAL 3 H VAL 3 -4.707 16.813 0.706 16 HA VAL 3 HA VAL 3 -4.306 14.578 -0.927 17 HB VAL 3 HB VAL 3 -2.388 16.892 -0.603 18 HG11 VAL 3 1HG1 VAL 3 -2.037 16.441 -3.047 19 HG12 VAL 3 2HG1 VAL 3 -3.066 15.016 -2.888 20 HG13 VAL 3 3HG1 VAL 3 -1.537 15.102 -2.011 21 HG21 VAL 3 1HG2 VAL 3 -3.781 17.942 -2.415 22 HG22 VAL 3 2HG2 VAL 3 -4.628 17.795 -0.875 23 HG23 VAL 3 3HG2 VAL 3 -4.970 16.660 -2.181 24 H ASP 4 H ASP 4 -2.593 15.671 1.927 25 HA ASP 4 HA ASP 4 -0.295 14.010 1.606 26 HB2 ASP 4 2HB ASP 4 -0.419 16.027 3.088 27 HB3 ASP 4 1HB ASP 4 -1.447 15.102 4.180 28 H ILE 5 H ILE 5 -3.452 13.575 3.101 29 HA ILE 5 HA ILE 5 -2.735 11.032 4.296 30 HB ILE 5 HB ILE 5 -5.397 12.442 3.992 31 HG12 ILE 5 2HG1 ILE 5 -3.739 12.005 6.486 32 HG13 ILE 5 1HG1 ILE 5 -3.551 13.439 5.476 33 HG21 ILE 5 1HG2 ILE 5 -4.591 9.886 5.398 34 HG22 ILE 5 2HG2 ILE 5 -5.858 10.101 4.191 35 HG23 ILE 5 3HG2 ILE 5 -6.057 10.775 5.808 36 HD11 ILE 5 1HD1 ILE 5 -5.894 14.024 5.792 37 HD12 ILE 5 2HD1 ILE 5 -5.143 13.791 7.370 38 HD13 ILE 5 3HD1 ILE 5 -6.177 12.534 6.691 39 H LEU 6 H LEU 6 -4.387 12.180 1.405 40 HA LEU 6 HA LEU 6 -5.617 9.808 0.590 41 HB2 LEU 6 2HB LEU 6 -4.636 12.281 -0.765 42 HB3 LEU 6 1HB LEU 6 -5.057 10.903 -1.775 43 HG LEU 6 HG LEU 6 -6.962 11.756 0.385 44 HD11 LEU 6 1HD1 LEU 6 -6.546 13.852 -0.721 45 HD12 LEU 6 2HD1 LEU 6 -8.066 13.225 -1.361 46 HD13 LEU 6 3HD1 LEU 6 -6.585 13.087 -2.310 47 HD21 LEU 6 1HD2 LEU 6 -7.158 9.658 -1.121 48 HD22 LEU 6 2HD2 LEU 6 -7.540 10.787 -2.420 49 HD23 LEU 6 3HD2 LEU 6 -8.576 10.698 -0.995 50 H LYS 7 H LYS 7 -2.403 11.086 -0.301 51 HA LYS 7 HA LYS 7 -1.617 8.838 -1.819 52 HB2 LYS 7 2HB LYS 7 -0.543 11.335 -1.216 53 HB3 LYS 7 1HB LYS 7 0.592 10.197 -0.526 54 HG2 LYS 7 2HG LYS 7 1.390 10.352 -2.699 55 HG3 LYS 7 1HG LYS 7 0.339 8.951 -2.830 56 HD2 LYS 7 2HD LYS 7 -0.505 10.165 -4.592 57 HD3 LYS 7 1HD LYS 7 -1.452 10.876 -3.289 58 HE2 LYS 7 2HE LYS 7 -0.594 12.763 -4.404 59 HE3 LYS 7 1HE LYS 7 0.511 12.549 -3.044 60 HZ1 LYS 7 1HZ LYS 7 2.001 11.321 -4.507 61 HZ2 LYS 7 2HZ LYS 7 1.724 12.891 -5.094 62 HZ3 LYS 7 3HZ LYS 7 0.946 11.563 -5.813 63 H GLY 8 H GLY 8 -0.987 9.728 1.564 64 HA2 GLY 8 2HA GLY 8 0.609 7.513 2.229 65 HA3 GLY 8 1HA GLY 8 -0.321 8.473 3.374 66 H ALA 9 H ALA 9 -2.793 7.816 1.752 67 HA ALA 9 HA ALA 9 -3.691 5.632 3.315 68 HB1 ALA 9 1HB ALA 9 -5.743 5.827 2.135 69 HB2 ALA 9 2HB ALA 9 -4.956 6.554 0.734 70 HB3 ALA 9 3HB ALA 9 -5.103 7.466 2.237 71 H ALA 10 H ALA 10 -2.572 5.883 -0.037 72 HA ALA 10 HA ALA 10 -3.192 3.304 -0.912 73 HB1 ALA 10 1HB ALA 10 -0.852 5.079 -1.641 74 HB2 ALA 10 2HB ALA 10 -2.412 5.000 -2.460 75 HB3 ALA 10 3HB ALA 10 -1.311 3.622 -2.521 76 H LYS 11 H LYS 11 -0.700 4.422 1.240 77 HA LYS 11 HA LYS 11 1.044 2.200 1.057 78 HB2 LYS 11 2HB LYS 11 1.369 4.544 2.157 79 HB3 LYS 11 1HB LYS 11 0.715 3.730 3.567 80 HG2 LYS 11 2HG LYS 11 2.447 1.977 3.374 81 HG3 LYS 11 1HG LYS 11 3.122 2.822 1.980 82 HD2 LYS 11 2HD LYS 11 3.493 4.826 3.414 83 HD3 LYS 11 1HD LYS 11 2.910 3.908 4.803 84 HE2 LYS 11 2HE LYS 11 4.735 2.377 4.683 85 HE3 LYS 11 1HE LYS 11 5.203 2.948 3.082 86 HZ1 LYS 11 1HZ LYS 11 6.512 4.430 4.042 87 HZ2 LYS 11 2HZ LYS 11 6.027 3.908 5.585 88 HZ3 LYS 11 3HZ LYS 11 5.172 5.146 4.796 89 H ASP 12 H ASP 12 -1.914 2.781 2.807 90 HA ASP 12 HA ASP 12 -1.622 0.570 4.618 91 HB2 ASP 12 2HB ASP 12 -3.043 2.461 5.205 92 HB3 ASP 12 1HB ASP 12 -4.059 2.165 3.796 93 H ILE 13 H ILE 13 -3.149 1.084 1.480 94 HA ILE 13 HA ILE 13 -4.435 -1.489 1.423 95 HB ILE 13 HB ILE 13 -3.854 0.492 -0.790 96 HG12 ILE 13 2HG1 ILE 13 -6.447 -0.083 0.668 97 HG13 ILE 13 1HG1 ILE 13 -5.355 1.225 1.126 98 HG21 ILE 13 1HG2 ILE 13 -5.538 -2.022 -0.678 99 HG22 ILE 13 2HG2 ILE 13 -4.207 -1.669 -1.780 100 HG23 ILE 13 3HG2 ILE 13 -5.729 -0.791 -1.926 101 HD11 ILE 13 1HD1 ILE 13 -5.609 2.291 -1.017 102 HD12 ILE 13 2HD1 ILE 13 -7.229 1.914 -0.432 103 HD13 ILE 13 3HD1 ILE 13 -6.479 0.903 -1.668 104 H ALA 14 H ALA 14 -1.671 -0.087 -0.351 105 HA ALA 14 HA ALA 14 -0.884 -2.439 -1.659 106 HB1 ALA 14 1HB ALA 14 0.721 -0.026 -0.793 107 HB2 ALA 14 2HB ALA 14 -0.001 -0.318 -2.375 108 HB3 ALA 14 3HB ALA 14 1.355 -1.305 -1.829 109 H GLY 15 H GLY 15 -0.763 -1.652 1.633 110 HA2 GLY 15 2HA GLY 15 1.598 -2.941 2.468 111 HA3 GLY 15 1HA GLY 15 0.177 -2.667 3.468 112 H HIS 16 H HIS 16 -1.750 -4.167 2.732 113 HA HIS 16 HA HIS 16 -0.983 -6.826 3.320 114 HB2 HIS 16 2HB HIS 16 -3.358 -7.371 2.756 115 HB3 HIS 16 1HB HIS 16 -3.192 -6.043 3.905 116 HD2 HIS 16 2HD HIS 16 -4.598 -3.802 3.125 117 HE1 HIS 16 1HE HIS 16 -4.872 -4.661 -0.999 118 HE2 HIS 16 2HE HIS 16 -5.552 -3.027 0.821 119 H LEU 17 H LEU 17 -0.972 -5.080 0.394 120 HA LEU 17 HA LEU 17 -1.394 -7.312 -1.372 121 HB2 LEU 17 2HB LEU 17 -1.612 -4.657 -1.712 122 HB3 LEU 17 1HB LEU 17 0.028 -4.901 -2.304 123 HG LEU 17 HG LEU 17 -1.496 -5.114 -4.175 124 HD11 LEU 17 1HD1 LEU 17 0.494 -6.706 -3.791 125 HD12 LEU 17 2HD1 LEU 17 -0.699 -7.170 -5.003 126 HD13 LEU 17 3HD1 LEU 17 -0.724 -7.924 -3.411 127 HD21 LEU 17 1HD2 LEU 17 -3.347 -6.043 -2.387 128 HD22 LEU 17 2HD2 LEU 17 -2.837 -7.560 -3.129 129 HD23 LEU 17 3HD2 LEU 17 -3.485 -6.262 -4.130 130 H ALA 18 H ALA 18 1.420 -5.436 -0.282 131 HA ALA 18 HA ALA 18 3.380 -6.765 -1.773 132 HB1 ALA 18 1HB ALA 18 3.638 -4.656 -0.363 133 HB2 ALA 18 2HB ALA 18 4.969 -5.810 -0.285 134 HB3 ALA 18 3HB ALA 18 3.798 -5.726 1.030 135 H SER 19 H SER 19 1.321 -8.092 0.451 136 HA SER 19 HA SER 19 3.241 -10.064 1.481 137 HB2 SER 19 2HB SER 19 1.785 -10.406 3.206 138 HB3 SER 19 1HB SER 19 1.188 -8.820 2.728 139 HG SER 19 HG SER 19 -0.314 -10.769 2.902 140 H LYS 20 H LYS 20 0.215 -9.885 -0.372 141 HA LYS 20 HA LYS 20 -0.320 -12.530 -0.833 142 HB2 LYS 20 2HB LYS 20 -0.880 -10.004 -2.172 143 HB3 LYS 20 1HB LYS 20 -0.732 -11.323 -3.328 144 HG2 LYS 20 2HG LYS 20 -3.041 -11.228 -2.644 145 HG3 LYS 20 1HG LYS 20 -2.331 -12.651 -1.881 146 HD2 LYS 20 2HD LYS 20 -2.107 -11.509 0.225 147 HD3 LYS 20 1HD LYS 20 -2.522 -9.958 -0.507 148 HE2 LYS 20 2HE LYS 20 -4.785 -10.633 -0.880 149 HE3 LYS 20 1HE LYS 20 -4.415 -12.318 -0.512 150 HZ1 LYS 20 1HZ LYS 20 -3.971 -10.198 1.492 151 HZ2 LYS 20 2HZ LYS 20 -4.191 -11.865 1.733 152 HZ3 LYS 20 3HZ LYS 20 -5.507 -10.888 1.290 153 H VAL 21 H VAL 21 1.772 -10.498 -2.902 154 HA VAL 21 HA VAL 21 2.674 -12.596 -4.552 155 HB VAL 21 HB VAL 21 4.100 -10.022 -3.840 156 HG11 VAL 21 1HG1 VAL 21 5.042 -10.404 -6.186 157 HG12 VAL 21 2HG1 VAL 21 4.416 -12.048 -6.064 158 HG13 VAL 21 3HG1 VAL 21 5.643 -11.486 -4.929 159 HG21 VAL 21 1HG2 VAL 21 1.798 -9.678 -4.703 160 HG22 VAL 21 2HG2 VAL 21 2.186 -10.680 -6.103 161 HG23 VAL 21 3HG2 VAL 21 3.012 -9.139 -5.865 162 H MET 22 H MET 22 4.053 -11.181 -1.599 163 HA MET 22 HA MET 22 6.417 -12.716 -1.560 164 HB2 MET 22 2HB MET 22 5.738 -10.637 -0.159 165 HB3 MET 22 1HB MET 22 5.051 -11.827 0.938 166 HG2 MET 22 2HG MET 22 7.268 -11.493 1.724 167 HG3 MET 22 1HG MET 22 7.323 -13.014 0.834 168 HE1 MET 22 1HE MET 22 9.628 -11.687 1.682 169 HE2 MET 22 2HE MET 22 10.690 -11.037 0.436 170 HE3 MET 22 3HE MET 22 10.191 -12.725 0.365 171 H ASN 23 H ASN 23 3.155 -13.382 -0.482 172 HA ASN 23 HA ASN 23 3.822 -15.705 1.040 173 HB2 ASN 23 2HB ASN 23 1.446 -14.195 0.373 174 HB3 ASN 23 1HB ASN 23 1.140 -15.925 0.275 175 HD21 ASN 23 1HD2 ASN 23 1.787 -13.268 2.462 176 HD22 ASN 23 2HD2 ASN 23 1.693 -14.172 3.895 177 H LYS 24 H LYS 24 3.112 -15.055 -2.308 178 HA LYS 24 HA LYS 24 2.537 -17.758 -3.041 179 HB2 LYS 24 2HB LYS 24 1.986 -15.493 -4.252 180 HB3 LYS 24 1HB LYS 24 3.549 -15.782 -4.990 181 HG2 LYS 24 2HG LYS 24 2.148 -16.890 -6.487 182 HG3 LYS 24 1HG LYS 24 2.612 -18.202 -5.407 183 HD2 LYS 24 2HD LYS 24 0.545 -17.957 -4.142 184 HD3 LYS 24 1HD LYS 24 0.100 -16.532 -5.081 185 HE2 LYS 24 2HE LYS 24 -0.186 -17.819 -7.075 186 HE3 LYS 24 1HE LYS 24 0.584 -19.232 -6.354 187 HZ1 LYS 24 1HZ LYS 24 -1.782 -18.117 -5.038 188 HZ2 LYS 24 2HZ LYS 24 -1.247 -19.728 -5.123 189 HZ3 LYS 24 3HZ LYS 24 -2.009 -19.011 -6.462 190 H LEU 25 H LEU 25 5.337 -15.659 -3.736 191 HA LEU 25 HA LEU 25 6.963 -17.678 -4.797 192 HB2 LEU 25 2HB LEU 25 8.654 -16.079 -4.804 193 HB3 LEU 25 1HB LEU 25 7.207 -15.083 -4.809 194 HG LEU 25 HG LEU 25 7.461 -15.237 -2.176 195 HD11 LEU 25 1HD1 LEU 25 9.424 -15.998 -1.352 196 HD12 LEU 25 2HD1 LEU 25 10.360 -15.078 -2.528 197 HD13 LEU 25 3HD1 LEU 25 9.741 -16.673 -2.949 198 HD21 LEU 25 1HD2 LEU 25 9.262 -13.500 -3.897 199 HD22 LEU 25 2HD2 LEU 25 8.768 -13.147 -2.242 200 HD23 LEU 25 3HD2 LEU 25 7.567 -13.169 -3.535 201 HN1 NH2 26 HN1 NH2 26 6.253 -16.872 -1.445 202 HN2 NH2 26 HN2 NH2 26 7.320 -18.013 -0.759 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -4.378 17.050 6.522 2 H2 GLY 1 2HT GLY 1 -4.180 18.697 6.162 3 H3 GLY 1 3HT GLY 1 -2.921 17.829 6.902 4 HA2 GLY 1 2HA GLY 1 -3.082 18.309 4.269 5 HA3 GLY 1 1HA GLY 1 -2.183 16.972 4.987 6 H VAL 2 H VAL 2 -5.173 17.914 3.414 7 HA VAL 2 HA VAL 2 -6.563 15.483 3.516 8 HB VAL 2 HB VAL 2 -7.362 16.442 1.120 9 HG11 VAL 2 1HG1 VAL 2 -8.927 17.930 2.453 10 HG12 VAL 2 2HG1 VAL 2 -7.987 17.509 3.885 11 HG13 VAL 2 3HG1 VAL 2 -8.852 16.254 2.998 12 HG21 VAL 2 1HG2 VAL 2 -5.433 18.149 1.312 13 HG22 VAL 2 2HG2 VAL 2 -6.406 18.923 2.561 14 HG23 VAL 2 3HG2 VAL 2 -7.029 18.785 0.917 15 H VAL 3 H VAL 3 -4.587 16.722 0.804 16 HA VAL 3 HA VAL 3 -4.582 14.313 -0.654 17 HB VAL 3 HB VAL 3 -2.564 16.569 -0.653 18 HG11 VAL 3 1HG1 VAL 3 -3.045 14.235 -2.517 19 HG12 VAL 3 2HG1 VAL 3 -1.545 14.675 -1.702 20 HG13 VAL 3 3HG1 VAL 3 -2.164 15.680 -3.013 21 HG21 VAL 3 1HG2 VAL 3 -4.873 17.272 -1.183 22 HG22 VAL 3 2HG2 VAL 3 -4.980 16.004 -2.403 23 HG23 VAL 3 3HG2 VAL 3 -3.850 17.342 -2.617 24 H ASP 4 H ASP 4 -2.609 15.456 1.993 25 HA ASP 4 HA ASP 4 -0.437 13.670 1.719 26 HB2 ASP 4 2HB ASP 4 -0.620 15.729 3.230 27 HB3 ASP 4 1HB ASP 4 -1.497 14.690 4.352 28 H ILE 5 H ILE 5 -3.635 13.317 3.114 29 HA ILE 5 HA ILE 5 -3.015 10.780 4.377 30 HB ILE 5 HB ILE 5 -5.623 12.254 3.953 31 HG12 ILE 5 2HG1 ILE 5 -4.086 11.751 6.512 32 HG13 ILE 5 1HG1 ILE 5 -3.828 13.190 5.526 33 HG21 ILE 5 1HG2 ILE 5 -6.409 10.598 5.740 34 HG22 ILE 5 2HG2 ILE 5 -4.965 9.658 5.361 35 HG23 ILE 5 3HG2 ILE 5 -6.186 9.939 4.119 36 HD11 ILE 5 1HD1 ILE 5 -5.501 13.499 7.393 37 HD12 ILE 5 2HD1 ILE 5 -6.544 12.343 6.565 38 HD13 ILE 5 3HD1 ILE 5 -6.129 13.870 5.787 39 H LEU 6 H LEU 6 -4.642 11.914 1.448 40 HA LEU 6 HA LEU 6 -5.744 9.457 0.635 41 HB2 LEU 6 2HB LEU 6 -5.012 12.027 -0.704 42 HB3 LEU 6 1HB LEU 6 -5.385 10.639 -1.716 43 HG LEU 6 HG LEU 6 -7.236 11.331 0.547 44 HD11 LEU 6 1HD1 LEU 6 -8.525 12.715 -1.170 45 HD12 LEU 6 2HD1 LEU 6 -7.043 12.733 -2.126 46 HD13 LEU 6 3HD1 LEU 6 -7.065 13.462 -0.519 47 HD21 LEU 6 1HD2 LEU 6 -7.608 10.150 -2.226 48 HD22 LEU 6 2HD2 LEU 6 -8.894 10.381 -1.044 49 HD23 LEU 6 3HD2 LEU 6 -7.587 9.247 -0.712 50 H LYS 7 H LYS 7 -2.666 11.020 -0.272 51 HA LYS 7 HA LYS 7 -1.751 8.867 -1.874 52 HB2 LYS 7 2HB LYS 7 -0.919 11.433 -1.432 53 HB3 LYS 7 1HB LYS 7 0.305 10.506 -0.595 54 HG2 LYS 7 2HG LYS 7 1.208 10.520 -2.719 55 HG3 LYS 7 1HG LYS 7 0.272 9.036 -2.800 56 HD2 LYS 7 2HD LYS 7 -0.567 10.038 -4.687 57 HD3 LYS 7 1HD LYS 7 -1.619 10.800 -3.500 58 HE2 LYS 7 2HE LYS 7 -0.815 12.632 -4.739 59 HE3 LYS 7 1HE LYS 7 0.230 12.607 -3.315 60 HZ1 LYS 7 1HZ LYS 7 1.378 12.818 -5.526 61 HZ2 LYS 7 2HZ LYS 7 0.925 11.210 -5.834 62 HZ3 LYS 7 3HZ LYS 7 1.943 11.573 -4.522 63 H GLY 8 H GLY 8 -0.971 9.835 1.462 64 HA2 GLY 8 2HA GLY 8 0.791 7.715 2.021 65 HA3 GLY 8 1HA GLY 8 -0.084 8.655 3.224 66 H ALA 9 H ALA 9 -2.652 7.850 1.833 67 HA ALA 9 HA ALA 9 -3.188 5.544 3.455 68 HB1 ALA 9 1HB ALA 9 -4.990 7.063 3.208 69 HB2 ALA 9 2HB ALA 9 -5.439 5.658 2.243 70 HB3 ALA 9 3HB ALA 9 -4.816 7.107 1.454 71 H ALA 10 H ALA 10 -2.625 6.141 0.028 72 HA ALA 10 HA ALA 10 -3.432 3.684 -1.027 73 HB1 ALA 10 1HB ALA 10 -2.728 5.696 -2.349 74 HB2 ALA 10 2HB ALA 10 -2.007 4.187 -2.910 75 HB3 ALA 10 3HB ALA 10 -1.054 5.315 -1.944 76 H LYS 11 H LYS 11 -0.632 4.534 0.851 77 HA LYS 11 HA LYS 11 0.995 2.312 0.190 78 HB2 LYS 11 2HB LYS 11 2.072 4.150 1.184 79 HB3 LYS 11 1HB LYS 11 0.929 4.165 2.511 80 HG2 LYS 11 2HG LYS 11 1.831 2.199 3.481 81 HG3 LYS 11 1HG LYS 11 2.702 1.787 2.004 82 HD2 LYS 11 2HD LYS 11 4.208 3.666 2.300 83 HD3 LYS 11 1HD LYS 11 3.275 4.246 3.679 84 HE2 LYS 11 2HE LYS 11 5.178 3.068 4.564 85 HE3 LYS 11 1HE LYS 11 3.769 2.038 4.817 86 HZ1 LYS 11 1HZ LYS 11 4.338 0.781 2.867 87 HZ2 LYS 11 2HZ LYS 11 5.683 0.829 3.905 88 HZ3 LYS 11 3HZ LYS 11 5.638 1.814 2.521 89 H ASP 12 H ASP 12 -1.489 2.861 2.619 90 HA ASP 12 HA ASP 12 -1.075 0.548 4.168 91 HB2 ASP 12 2HB ASP 12 -2.573 2.555 4.685 92 HB3 ASP 12 1HB ASP 12 -3.772 1.792 3.642 93 H ILE 13 H ILE 13 -3.169 1.124 1.351 94 HA ILE 13 HA ILE 13 -4.370 -1.414 1.251 95 HB ILE 13 HB ILE 13 -3.718 0.504 -0.998 96 HG12 ILE 13 2HG1 ILE 13 -6.339 0.040 0.448 97 HG13 ILE 13 1HG1 ILE 13 -5.195 1.293 0.928 98 HG21 ILE 13 1HG2 ILE 13 -5.456 -1.967 -0.850 99 HG22 ILE 13 2HG2 ILE 13 -4.154 -1.626 -1.989 100 HG23 ILE 13 3HG2 ILE 13 -5.671 -0.732 -2.090 101 HD11 ILE 13 1HD1 ILE 13 -5.414 2.437 -1.146 102 HD12 ILE 13 2HD1 ILE 13 -7.061 2.008 -0.682 103 HD13 ILE 13 3HD1 ILE 13 -6.216 1.063 -1.906 104 H ALA 14 H ALA 14 -1.576 -0.190 -0.609 105 HA ALA 14 HA ALA 14 -0.920 -2.639 -1.826 106 HB1 ALA 14 1HB ALA 14 1.264 -1.612 -2.276 107 HB2 ALA 14 2HB ALA 14 0.908 -0.333 -1.116 108 HB3 ALA 14 3HB ALA 14 -0.042 -0.470 -2.595 109 H GLY 15 H GLY 15 -0.563 -1.582 1.401 110 HA2 GLY 15 2HA GLY 15 1.752 -2.944 2.221 111 HA3 GLY 15 1HA GLY 15 0.395 -2.532 3.263 112 H HIS 16 H HIS 16 -1.632 -3.984 2.726 113 HA HIS 16 HA HIS 16 -0.905 -6.652 3.405 114 HB2 HIS 16 2HB HIS 16 -3.279 -7.114 3.373 115 HB3 HIS 16 1HB HIS 16 -3.028 -5.530 4.108 116 HD2 HIS 16 2HD HIS 16 -4.007 -3.342 2.586 117 HE1 HIS 16 1HE HIS 16 -5.697 -5.664 -0.508 118 HE2 HIS 16 2HE HIS 16 -5.527 -3.324 0.463 119 H LEU 17 H LEU 17 -1.168 -5.021 0.426 120 HA LEU 17 HA LEU 17 -1.881 -7.303 -1.178 121 HB2 LEU 17 2HB LEU 17 -2.069 -4.667 -1.615 122 HB3 LEU 17 1HB LEU 17 -0.509 -4.975 -2.370 123 HG LEU 17 HG LEU 17 -2.227 -5.227 -4.055 124 HD11 LEU 17 1HD1 LEU 17 -0.246 -6.845 -3.834 125 HD12 LEU 17 2HD1 LEU 17 -1.585 -7.353 -4.862 126 HD13 LEU 17 3HD1 LEU 17 -1.422 -8.015 -3.237 127 HD21 LEU 17 1HD2 LEU 17 -3.502 -7.590 -2.764 128 HD22 LEU 17 2HD2 LEU 17 -4.225 -6.321 -3.750 129 HD23 LEU 17 3HD2 LEU 17 -3.897 -6.030 -2.044 130 H ALA 18 H ALA 18 1.099 -5.402 -0.723 131 HA ALA 18 HA ALA 18 2.798 -6.942 -2.301 132 HB1 ALA 18 1HB ALA 18 3.538 -5.575 0.296 133 HB2 ALA 18 2HB ALA 18 3.377 -4.748 -1.254 134 HB3 ALA 18 3HB ALA 18 4.623 -5.977 -1.036 135 H SER 19 H SER 19 1.147 -7.859 0.485 136 HA SER 19 HA SER 19 3.093 -9.729 1.513 137 HB2 SER 19 2HB SER 19 1.601 -10.080 3.221 138 HB3 SER 19 1HB SER 19 0.981 -8.532 2.652 139 HG SER 19 HG SER 19 -0.634 -9.556 1.603 140 H LYS 20 H LYS 20 0.024 -9.989 -0.280 141 HA LYS 20 HA LYS 20 -0.116 -12.740 -0.552 142 HB2 LYS 20 2HB LYS 20 -1.213 -10.401 -1.937 143 HB3 LYS 20 1HB LYS 20 -1.017 -11.788 -3.001 144 HG2 LYS 20 2HG LYS 20 -3.222 -11.900 -1.995 145 HG3 LYS 20 1HG LYS 20 -2.234 -13.188 -1.307 146 HD2 LYS 20 2HD LYS 20 -1.903 -11.994 0.725 147 HD3 LYS 20 1HD LYS 20 -2.484 -10.485 0.020 148 HE2 LYS 20 2HE LYS 20 -4.735 -11.259 -0.042 149 HE3 LYS 20 1HE LYS 20 -4.248 -12.927 0.258 150 HZ1 LYS 20 1HZ LYS 20 -3.863 -10.696 2.178 151 HZ2 LYS 20 2HZ LYS 20 -3.557 -12.343 2.458 152 HZ3 LYS 20 3HZ LYS 20 -5.151 -11.798 2.238 153 H VAL 21 H VAL 21 1.750 -10.405 -2.442 154 HA VAL 21 HA VAL 21 2.675 -12.246 -4.401 155 HB VAL 21 HB VAL 21 4.126 -9.762 -3.484 156 HG11 VAL 21 1HG1 VAL 21 5.209 -11.325 -5.134 157 HG12 VAL 21 2HG1 VAL 21 4.910 -9.710 -5.775 158 HG13 VAL 21 3HG1 VAL 21 3.845 -11.045 -6.215 159 HG21 VAL 21 1HG2 VAL 21 2.713 -8.663 -5.318 160 HG22 VAL 21 2HG2 VAL 21 1.873 -9.035 -3.812 161 HG23 VAL 21 3HG2 VAL 21 1.666 -10.079 -5.219 162 H MET 22 H MET 22 4.081 -11.037 -1.367 163 HA MET 22 HA MET 22 6.492 -12.532 -1.575 164 HB2 MET 22 2HB MET 22 5.930 -10.475 -0.090 165 HB3 MET 22 1HB MET 22 5.322 -11.683 1.033 166 HG2 MET 22 2HG MET 22 7.586 -11.384 1.665 167 HG3 MET 22 1HG MET 22 7.581 -12.874 0.720 168 HE1 MET 22 1HE MET 22 10.876 -10.608 0.129 169 HE2 MET 22 2HE MET 22 10.152 -11.813 1.191 170 HE3 MET 22 3HE MET 22 9.745 -10.112 1.395 171 H ASN 23 H ASN 23 3.324 -13.183 -0.236 172 HA ASN 23 HA ASN 23 4.055 -15.527 1.204 173 HB2 ASN 23 2HB ASN 23 1.612 -14.067 0.563 174 HB3 ASN 23 1HB ASN 23 1.368 -15.807 0.636 175 HD21 ASN 23 1HD2 ASN 23 1.212 -13.117 2.557 176 HD22 ASN 23 2HD2 ASN 23 1.578 -13.817 4.059 177 H LYS 24 H LYS 24 3.215 -14.861 -2.107 178 HA LYS 24 HA LYS 24 2.485 -17.467 -2.903 179 HB2 LYS 24 2HB LYS 24 2.274 -15.168 -4.127 180 HB3 LYS 24 1HB LYS 24 3.855 -15.602 -4.745 181 HG2 LYS 24 2HG LYS 24 2.485 -16.553 -6.371 182 HG3 LYS 24 1HG LYS 24 2.717 -17.915 -5.276 183 HD2 LYS 24 2HD LYS 24 0.587 -17.473 -4.189 184 HD3 LYS 24 1HD LYS 24 0.374 -15.996 -5.129 185 HE2 LYS 24 2HE LYS 24 0.331 -17.327 -7.210 186 HE3 LYS 24 1HE LYS 24 0.525 -18.803 -6.264 187 HZ1 LYS 24 1HZ LYS 24 -1.579 -17.381 -5.142 188 HZ2 LYS 24 2HZ LYS 24 -1.656 -18.845 -6.002 189 HZ3 LYS 24 3HZ LYS 24 -1.831 -17.365 -6.819 190 H LEU 25 H LEU 25 5.567 -15.738 -3.397 191 HA LEU 25 HA LEU 25 6.988 -17.929 -4.398 192 HB2 LEU 25 2HB LEU 25 8.862 -16.567 -4.270 193 HB3 LEU 25 1HB LEU 25 7.567 -15.380 -4.293 194 HG LEU 25 HG LEU 25 7.688 -15.692 -1.650 195 HD11 LEU 25 1HD1 LEU 25 9.740 -17.393 -2.350 196 HD12 LEU 25 2HD1 LEU 25 9.592 -16.594 -0.787 197 HD13 LEU 25 3HD1 LEU 25 10.611 -15.892 -2.041 198 HD21 LEU 25 1HD2 LEU 25 8.072 -13.590 -2.909 199 HD22 LEU 25 2HD2 LEU 25 9.731 -14.092 -3.225 200 HD23 LEU 25 3HD2 LEU 25 9.209 -13.760 -1.574 201 HN1 NH2 26 HN1 NH2 26 6.177 -17.109 -1.068 202 HN2 NH2 26 HN2 NH2 26 7.025 -18.408 -0.357 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -2.788 16.336 7.537 2 H2 GLY 1 2HT GLY 1 -1.525 16.679 6.453 3 H3 GLY 1 3HT GLY 1 -2.435 15.255 6.278 4 HA2 GLY 1 2HA GLY 1 -4.059 17.621 6.260 5 HA3 GLY 1 1HA GLY 1 -2.877 17.576 4.949 6 H VAL 2 H VAL 2 -5.278 17.446 3.992 7 HA VAL 2 HA VAL 2 -6.555 14.905 3.988 8 HB VAL 2 HB VAL 2 -7.423 15.991 1.673 9 HG11 VAL 2 1HG1 VAL 2 -8.921 15.536 3.480 10 HG12 VAL 2 2HG1 VAL 2 -9.090 17.257 3.135 11 HG13 VAL 2 3HG1 VAL 2 -8.137 16.726 4.520 12 HG21 VAL 2 1HG2 VAL 2 -7.289 18.365 1.675 13 HG22 VAL 2 2HG2 VAL 2 -5.645 17.827 2.016 14 HG23 VAL 2 3HG2 VAL 2 -6.671 18.408 3.327 15 H VAL 3 H VAL 3 -4.681 16.520 1.404 16 HA VAL 3 HA VAL 3 -4.492 14.336 -0.314 17 HB VAL 3 HB VAL 3 -2.332 16.412 0.075 18 HG11 VAL 3 1HG1 VAL 3 -3.303 14.804 -2.306 19 HG12 VAL 3 2HG1 VAL 3 -1.766 14.601 -1.465 20 HG13 VAL 3 3HG1 VAL 3 -2.081 16.073 -2.384 21 HG21 VAL 3 1HG2 VAL 3 -4.991 16.574 -1.373 22 HG22 VAL 3 2HG2 VAL 3 -3.663 17.701 -1.649 23 HG23 VAL 3 3HG2 VAL 3 -4.426 17.609 -0.062 24 H ASP 4 H ASP 4 -2.693 15.100 2.583 25 HA ASP 4 HA ASP 4 -0.498 13.364 2.207 26 HB2 ASP 4 2HB ASP 4 -0.703 15.167 3.959 27 HB3 ASP 4 1HB ASP 4 -1.776 14.087 4.848 28 H ILE 5 H ILE 5 -3.787 12.824 3.256 29 HA ILE 5 HA ILE 5 -3.262 10.145 4.232 30 HB ILE 5 HB ILE 5 -5.846 11.640 3.738 31 HG12 ILE 5 2HG1 ILE 5 -4.552 10.891 6.369 32 HG13 ILE 5 1HG1 ILE 5 -4.211 12.423 5.562 33 HG21 ILE 5 1HG2 ILE 5 -6.358 9.310 3.608 34 HG22 ILE 5 2HG2 ILE 5 -6.749 9.792 5.259 35 HG23 ILE 5 3HG2 ILE 5 -5.251 8.922 4.925 36 HD11 ILE 5 1HD1 ILE 5 -6.559 13.041 5.626 37 HD12 ILE 5 2HD1 ILE 5 -6.052 12.589 7.254 38 HD13 ILE 5 3HD1 ILE 5 -6.994 11.462 6.278 39 H LEU 6 H LEU 6 -4.562 11.661 1.323 40 HA LEU 6 HA LEU 6 -5.608 9.371 0.084 41 HB2 LEU 6 2HB LEU 6 -4.652 12.051 -0.825 42 HB3 LEU 6 1HB LEU 6 -4.920 10.812 -2.044 43 HG LEU 6 HG LEU 6 -7.031 11.290 0.040 44 HD11 LEU 6 1HD1 LEU 6 -8.062 12.925 -1.617 45 HD12 LEU 6 2HD1 LEU 6 -6.485 12.990 -2.404 46 HD13 LEU 6 3HD1 LEU 6 -6.660 13.528 -0.734 47 HD21 LEU 6 1HD2 LEU 6 -7.068 10.467 -2.884 48 HD22 LEU 6 2HD2 LEU 6 -8.492 10.603 -1.854 49 HD23 LEU 6 3HD2 LEU 6 -7.264 9.388 -1.502 50 H LYS 7 H LYS 7 -2.406 10.910 -0.309 51 HA LYS 7 HA LYS 7 -1.356 8.949 -2.042 52 HB2 LYS 7 2HB LYS 7 -0.488 11.361 -1.132 53 HB3 LYS 7 1HB LYS 7 0.552 10.266 -0.249 54 HG2 LYS 7 2HG LYS 7 1.777 10.496 -2.192 55 HG3 LYS 7 1HG LYS 7 0.813 9.089 -2.608 56 HD2 LYS 7 2HD LYS 7 0.322 10.366 -4.452 57 HD3 LYS 7 1HD LYS 7 -0.882 11.024 -3.349 58 HE2 LYS 7 2HE LYS 7 0.177 12.949 -4.210 59 HE3 LYS 7 1HE LYS 7 0.949 12.702 -2.642 60 HZ1 LYS 7 1HZ LYS 7 2.180 11.284 -4.838 61 HZ2 LYS 7 2HZ LYS 7 2.894 12.185 -3.588 62 HZ3 LYS 7 3HZ LYS 7 2.272 12.973 -4.958 63 H GLY 8 H GLY 8 -1.076 9.343 1.481 64 HA2 GLY 8 2HA GLY 8 0.553 7.118 1.986 65 HA3 GLY 8 1HA GLY 8 -0.558 7.839 3.145 66 H ALA 9 H ALA 9 -2.789 7.338 1.160 67 HA ALA 9 HA ALA 9 -3.763 4.935 2.256 68 HB1 ALA 9 1HB ALA 9 -5.064 6.848 1.124 69 HB2 ALA 9 2HB ALA 9 -5.620 5.201 0.827 70 HB3 ALA 9 3HB ALA 9 -4.669 6.044 -0.395 71 H ALA 10 H ALA 10 -2.130 5.628 -0.808 72 HA ALA 10 HA ALA 10 -2.430 3.110 -2.012 73 HB1 ALA 10 1HB ALA 10 -0.697 3.770 -3.498 74 HB2 ALA 10 2HB ALA 10 0.009 4.863 -2.306 75 HB3 ALA 10 3HB ALA 10 -1.537 5.259 -3.059 76 H LYS 11 H LYS 11 0.138 4.369 0.103 77 HA LYS 11 HA LYS 11 1.765 2.075 0.075 78 HB2 LYS 11 2HB LYS 11 2.247 4.455 0.969 79 HB3 LYS 11 1HB LYS 11 1.549 3.830 2.452 80 HG2 LYS 11 2HG LYS 11 3.161 1.933 2.391 81 HG3 LYS 11 1HG LYS 11 3.911 2.664 0.972 82 HD2 LYS 11 2HD LYS 11 4.673 4.542 2.195 83 HD3 LYS 11 1HD LYS 11 3.582 4.214 3.542 84 HE2 LYS 11 2HE LYS 11 5.935 3.578 4.058 85 HE3 LYS 11 1HE LYS 11 4.839 2.197 4.114 86 HZ1 LYS 11 1HZ LYS 11 6.787 2.916 2.012 87 HZ2 LYS 11 2HZ LYS 11 5.493 1.862 1.695 88 HZ3 LYS 11 3HZ LYS 11 6.648 1.462 2.874 89 H ASP 12 H ASP 12 -0.847 3.062 2.251 90 HA ASP 12 HA ASP 12 -0.625 0.870 4.031 91 HB2 ASP 12 2HB ASP 12 -1.864 2.988 4.506 92 HB3 ASP 12 1HB ASP 12 -3.109 2.465 3.371 93 H ILE 13 H ILE 13 -2.909 1.454 1.348 94 HA ILE 13 HA ILE 13 -4.195 -1.038 1.455 95 HB ILE 13 HB ILE 13 -3.729 0.800 -0.905 96 HG12 ILE 13 2HG1 ILE 13 -6.203 0.450 0.806 97 HG13 ILE 13 1HG1 ILE 13 -4.973 1.666 1.156 98 HG21 ILE 13 1HG2 ILE 13 -4.333 -1.329 -1.800 99 HG22 ILE 13 2HG2 ILE 13 -5.831 -0.402 -1.742 100 HG23 ILE 13 3HG2 ILE 13 -5.501 -1.620 -0.512 101 HD11 ILE 13 1HD1 ILE 13 -6.576 1.417 -1.406 102 HD12 ILE 13 2HD1 ILE 13 -5.265 2.570 -1.153 103 HD13 ILE 13 3HD1 ILE 13 -6.738 2.682 -0.187 104 H ALA 14 H ALA 14 -1.582 0.025 -0.739 105 HA ALA 14 HA ALA 14 -1.156 -2.460 -1.967 106 HB1 ALA 14 1HB ALA 14 -0.252 -0.255 -2.752 107 HB2 ALA 14 2HB ALA 14 0.943 -1.551 -2.731 108 HB3 ALA 14 3HB ALA 14 0.936 -0.338 -1.452 109 H GLY 15 H GLY 15 -0.385 -1.371 1.190 110 HA2 GLY 15 2HA GLY 15 1.900 -2.901 1.776 111 HA3 GLY 15 1HA GLY 15 0.717 -2.347 2.956 112 H HIS 16 H HIS 16 -1.474 -3.631 2.708 113 HA HIS 16 HA HIS 16 -0.869 -6.352 3.348 114 HB2 HIS 16 2HB HIS 16 -3.272 -6.594 3.676 115 HB3 HIS 16 1HB HIS 16 -2.724 -5.084 4.403 116 HD2 HIS 16 2HD HIS 16 -3.773 -2.752 3.220 117 HE1 HIS 16 1HE HIS 16 -6.037 -4.693 0.232 118 HE2 HIS 16 2HE HIS 16 -5.557 -2.458 1.336 119 H LEU 17 H LEU 17 -1.485 -4.716 0.423 120 HA LEU 17 HA LEU 17 -2.663 -6.934 -0.988 121 HB2 LEU 17 2HB LEU 17 -2.696 -4.292 -1.439 122 HB3 LEU 17 1HB LEU 17 -1.325 -4.744 -2.447 123 HG LEU 17 HG LEU 17 -3.330 -4.849 -3.801 124 HD11 LEU 17 1HD1 LEU 17 -2.631 -7.692 -3.081 125 HD12 LEU 17 2HD1 LEU 17 -1.486 -6.631 -3.901 126 HD13 LEU 17 3HD1 LEU 17 -3.024 -7.027 -4.665 127 HD21 LEU 17 1HD2 LEU 17 -4.552 -7.086 -2.256 128 HD22 LEU 17 2HD2 LEU 17 -5.328 -5.767 -3.131 129 HD23 LEU 17 3HD2 LEU 17 -4.683 -5.491 -1.513 130 H ALA 18 H ALA 18 0.420 -5.204 -1.463 131 HA ALA 18 HA ALA 18 1.602 -7.187 -3.063 132 HB1 ALA 18 1HB ALA 18 2.401 -4.830 -2.858 133 HB2 ALA 18 2HB ALA 18 3.689 -6.021 -2.684 134 HB3 ALA 18 3HB ALA 18 3.028 -5.224 -1.258 135 H SER 19 H SER 19 0.650 -7.501 0.055 136 HA SER 19 HA SER 19 2.898 -8.851 1.209 137 HB2 SER 19 2HB SER 19 1.536 -9.196 3.066 138 HB3 SER 19 1HB SER 19 0.826 -7.745 2.363 139 HG SER 19 HG SER 19 -0.672 -9.130 1.293 140 H LYS 20 H LYS 20 -0.294 -10.091 0.165 141 HA LYS 20 HA LYS 20 0.161 -12.777 0.360 142 HB2 LYS 20 2HB LYS 20 -1.603 -13.068 -1.214 143 HB3 LYS 20 1HB LYS 20 -1.965 -11.591 -0.331 144 HG2 LYS 20 2HG LYS 20 -0.634 -10.426 -2.271 145 HG3 LYS 20 1HG LYS 20 -0.980 -11.913 -3.154 146 HD2 LYS 20 2HD LYS 20 -3.420 -11.587 -2.509 147 HD3 LYS 20 1HD LYS 20 -2.966 -9.977 -1.948 148 HE2 LYS 20 2HE LYS 20 -3.712 -9.687 -4.198 149 HE3 LYS 20 1HE LYS 20 -1.951 -9.606 -4.264 150 HZ1 LYS 20 1HZ LYS 20 -3.448 -11.215 -5.796 151 HZ2 LYS 20 2HZ LYS 20 -3.057 -12.264 -4.518 152 HZ3 LYS 20 3HZ LYS 20 -1.823 -11.509 -5.409 153 H VAL 21 H VAL 21 1.170 -10.604 -2.243 154 HA VAL 21 HA VAL 21 2.092 -12.557 -4.051 155 HB VAL 21 HB VAL 21 3.032 -9.716 -3.600 156 HG11 VAL 21 1HG1 VAL 21 4.762 -10.814 -4.817 157 HG12 VAL 21 2HG1 VAL 21 3.779 -10.006 -6.038 158 HG13 VAL 21 3HG1 VAL 21 3.606 -11.741 -5.772 159 HG21 VAL 21 1HG2 VAL 21 0.597 -10.169 -4.238 160 HG22 VAL 21 2HG2 VAL 21 1.216 -10.825 -5.754 161 HG23 VAL 21 3HG2 VAL 21 1.500 -9.132 -5.344 162 H MET 22 H MET 22 3.752 -10.809 -1.441 163 HA MET 22 HA MET 22 6.281 -12.058 -1.890 164 HB2 MET 22 2HB MET 22 5.689 -9.846 -0.629 165 HB3 MET 22 1HB MET 22 5.487 -10.922 0.747 166 HG2 MET 22 2HG MET 22 7.756 -10.284 0.871 167 HG3 MET 22 1HG MET 22 7.805 -11.872 0.105 168 HE1 MET 22 1HE MET 22 10.596 -9.440 -1.348 169 HE2 MET 22 2HE MET 22 10.406 -11.143 -0.939 170 HE3 MET 22 3HE MET 22 9.977 -9.908 0.242 171 H ASN 23 H ASN 23 3.603 -12.639 0.358 172 HA ASN 23 HA ASN 23 4.811 -14.659 1.877 173 HB2 ASN 23 2HB ASN 23 1.898 -14.698 1.295 174 HB3 ASN 23 1HB ASN 23 2.731 -14.969 2.815 175 HD21 ASN 23 1HD2 ASN 23 4.441 -12.490 2.321 176 HD22 ASN 23 2HD2 ASN 23 3.414 -11.191 2.689 177 H LYS 24 H LYS 24 3.041 -14.762 -1.173 178 HA LYS 24 HA LYS 24 2.928 -17.619 -1.293 179 HB2 LYS 24 2HB LYS 24 1.476 -15.802 -2.505 180 HB3 LYS 24 1HB LYS 24 2.744 -15.929 -3.710 181 HG2 LYS 24 2HG LYS 24 1.268 -17.567 -4.461 182 HG3 LYS 24 1HG LYS 24 2.360 -18.519 -3.456 183 HD2 LYS 24 2HD LYS 24 0.805 -18.419 -1.585 184 HD3 LYS 24 1HD LYS 24 -0.254 -17.329 -2.479 185 HE2 LYS 24 2HE LYS 24 -0.855 -19.021 -4.038 186 HE3 LYS 24 1HE LYS 24 0.465 -20.071 -3.524 187 HZ1 LYS 24 1HZ LYS 24 -2.028 -19.415 -2.080 188 HZ2 LYS 24 2HZ LYS 24 -0.670 -20.034 -1.268 189 HZ3 LYS 24 3HZ LYS 24 -1.417 -20.941 -2.495 190 H LEU 25 H LEU 25 4.757 -15.234 -3.215 191 HA LEU 25 HA LEU 25 6.392 -17.112 -4.507 192 HB2 LEU 25 2HB LEU 25 7.481 -15.284 -5.409 193 HB3 LEU 25 1HB LEU 25 5.961 -14.548 -4.928 194 HG LEU 25 HG LEU 25 7.206 -14.102 -2.653 195 HD11 LEU 25 1HD1 LEU 25 9.288 -15.342 -4.104 196 HD12 LEU 25 2HD1 LEU 25 9.429 -14.482 -2.574 197 HD13 LEU 25 3HD1 LEU 25 9.688 -13.626 -4.091 198 HD21 LEU 25 1HD2 LEU 25 7.977 -11.928 -3.546 199 HD22 LEU 25 2HD2 LEU 25 6.401 -12.362 -4.207 200 HD23 LEU 25 3HD2 LEU 25 7.853 -12.560 -5.188 201 HN1 NH2 26 HN1 NH2 26 6.662 -15.681 -1.293 202 HN2 NH2 26 HN2 NH2 26 8.129 -16.451 -0.885 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -2.501 15.429 5.283 2 H2 GLY 1 2HT GLY 1 -1.629 16.842 5.642 3 H3 GLY 1 3HT GLY 1 -0.962 15.667 4.610 4 HA2 GLY 1 2HA GLY 1 -3.199 17.528 4.078 5 HA3 GLY 1 1HA GLY 1 -1.697 17.336 3.172 6 H VAL 2 H VAL 2 -4.009 17.225 1.765 7 HA VAL 2 HA VAL 2 -5.293 14.758 1.507 8 HB VAL 2 HB VAL 2 -5.364 15.637 -1.046 9 HG11 VAL 2 1HG1 VAL 2 -7.326 15.436 0.358 10 HG12 VAL 2 2HG1 VAL 2 -7.304 17.066 -0.314 11 HG13 VAL 2 3HG1 VAL 2 -6.807 16.793 1.356 12 HG21 VAL 2 1HG2 VAL 2 -4.945 18.181 0.531 13 HG22 VAL 2 2HG2 VAL 2 -5.031 17.979 -1.219 14 HG23 VAL 2 3HG2 VAL 2 -3.618 17.407 -0.334 15 H VAL 3 H VAL 3 -2.624 15.992 -0.528 16 HA VAL 3 HA VAL 3 -2.126 13.633 -1.925 17 HB VAL 3 HB VAL 3 -0.019 15.635 -1.095 18 HG11 VAL 3 1HG1 VAL 3 1.024 14.983 -3.203 19 HG12 VAL 3 2HG1 VAL 3 -0.340 13.933 -3.586 20 HG13 VAL 3 3HG1 VAL 3 0.724 13.540 -2.235 21 HG21 VAL 3 1HG2 VAL 3 -2.022 15.742 -3.375 22 HG22 VAL 3 2HG2 VAL 3 -0.668 16.853 -3.165 23 HG23 VAL 3 3HG2 VAL 3 -1.978 16.826 -1.984 24 H ASP 4 H ASP 4 -1.046 14.664 1.259 25 HA ASP 4 HA ASP 4 0.897 12.611 1.625 26 HB2 ASP 4 2HB ASP 4 0.684 14.795 2.927 27 HB3 ASP 4 1HB ASP 4 -0.618 14.014 3.823 28 H ILE 5 H ILE 5 -2.531 12.924 2.462 29 HA ILE 5 HA ILE 5 -2.625 10.381 3.816 30 HB ILE 5 HB ILE 5 -4.811 12.243 2.861 31 HG12 ILE 5 2HG1 ILE 5 -3.880 11.666 5.681 32 HG13 ILE 5 1HG1 ILE 5 -3.184 12.965 4.713 33 HG21 ILE 5 1HG2 ILE 5 -5.790 10.069 2.999 34 HG22 ILE 5 2HG2 ILE 5 -6.183 10.864 4.523 35 HG23 ILE 5 3HG2 ILE 5 -4.881 9.675 4.459 36 HD11 ILE 5 1HD1 ILE 5 -5.137 13.611 6.245 37 HD12 ILE 5 2HD1 ILE 5 -6.165 12.704 5.135 38 HD13 ILE 5 3HD1 ILE 5 -5.267 14.108 4.558 39 H LEU 6 H LEU 6 -3.362 11.585 0.587 40 HA LEU 6 HA LEU 6 -4.791 9.379 -0.390 41 HB2 LEU 6 2HB LEU 6 -3.177 11.586 -1.592 42 HB3 LEU 6 1HB LEU 6 -3.621 10.231 -2.622 43 HG LEU 6 HG LEU 6 -5.732 11.511 -0.911 44 HD11 LEU 6 1HD1 LEU 6 -4.705 13.420 -2.009 45 HD12 LEU 6 2HD1 LEU 6 -6.226 13.054 -2.823 46 HD13 LEU 6 3HD1 LEU 6 -4.695 12.571 -3.555 47 HD21 LEU 6 1HD2 LEU 6 -7.209 10.638 -2.553 48 HD22 LEU 6 2HD2 LEU 6 -5.992 9.377 -2.352 49 HD23 LEU 6 3HD2 LEU 6 -5.916 10.461 -3.741 50 H LYS 7 H LYS 7 -1.298 10.076 -0.442 51 HA LYS 7 HA LYS 7 -0.617 7.620 -1.737 52 HB2 LYS 7 2HB LYS 7 0.702 9.976 -1.232 53 HB3 LYS 7 1HB LYS 7 1.473 8.864 -0.124 54 HG2 LYS 7 2HG LYS 7 2.747 8.498 -2.017 55 HG3 LYS 7 1HG LYS 7 1.521 7.257 -2.223 56 HD2 LYS 7 2HD LYS 7 1.306 8.245 -4.284 57 HD3 LYS 7 1HD LYS 7 0.267 9.334 -3.371 58 HE2 LYS 7 2HE LYS 7 1.697 10.825 -4.482 59 HE3 LYS 7 1HE LYS 7 2.454 10.663 -2.896 60 HZ1 LYS 7 1HZ LYS 7 3.202 8.842 -5.087 61 HZ2 LYS 7 2HZ LYS 7 4.100 9.301 -3.721 62 HZ3 LYS 7 3HZ LYS 7 3.884 10.392 -5.005 63 H GLY 8 H GLY 8 -0.470 8.754 1.628 64 HA2 GLY 8 2HA GLY 8 0.610 6.396 2.729 65 HA3 GLY 8 1HA GLY 8 -0.299 7.612 3.618 66 H ALA 9 H ALA 9 -2.564 7.204 1.651 67 HA ALA 9 HA ALA 9 -4.058 5.349 3.197 68 HB1 ALA 9 1HB ALA 9 -5.216 7.132 2.067 69 HB2 ALA 9 2HB ALA 9 -5.762 5.609 1.366 70 HB3 ALA 9 3HB ALA 9 -4.595 6.609 0.501 71 H ALA 10 H ALA 10 -2.232 5.095 0.211 72 HA ALA 10 HA ALA 10 -3.230 2.634 -0.717 73 HB1 ALA 10 1HB ALA 10 -0.516 3.929 -1.023 74 HB2 ALA 10 2HB ALA 10 -1.857 3.964 -2.167 75 HB3 ALA 10 3HB ALA 10 -0.993 2.456 -1.867 76 H LYS 11 H LYS 11 -0.458 3.360 1.397 77 HA LYS 11 HA LYS 11 0.493 0.791 1.793 78 HB2 LYS 11 2HB LYS 11 1.438 3.018 2.625 79 HB3 LYS 11 1HB LYS 11 0.367 2.779 3.994 80 HG2 LYS 11 2HG LYS 11 1.403 0.627 4.498 81 HG3 LYS 11 1HG LYS 11 2.441 0.781 3.080 82 HD2 LYS 11 2HD LYS 11 3.537 2.730 4.024 83 HD3 LYS 11 1HD LYS 11 2.418 2.745 5.387 84 HE2 LYS 11 2HE LYS 11 3.265 0.608 6.175 85 HE3 LYS 11 1HE LYS 11 4.289 0.448 4.749 86 HZ1 LYS 11 1HZ LYS 11 4.927 1.676 7.143 87 HZ2 LYS 11 2HZ LYS 11 4.755 2.932 6.012 88 HZ3 LYS 11 3HZ LYS 11 5.846 1.663 5.718 89 H ASP 12 H ASP 12 -2.175 2.449 3.392 90 HA ASP 12 HA ASP 12 -2.681 0.569 5.415 91 HB2 ASP 12 2HB ASP 12 -3.701 2.833 5.299 92 HB3 ASP 12 1HB ASP 12 -4.700 2.286 3.954 93 H ILE 13 H ILE 13 -4.102 0.855 2.156 94 HA ILE 13 HA ILE 13 -5.628 -1.561 2.409 95 HB ILE 13 HB ILE 13 -4.881 0.103 -0.007 96 HG12 ILE 13 2HG1 ILE 13 -7.549 -0.148 1.399 97 HG13 ILE 13 1HG1 ILE 13 -6.363 1.078 1.848 98 HG21 ILE 13 1HG2 ILE 13 -6.878 -1.161 -1.001 99 HG22 ILE 13 2HG2 ILE 13 -6.686 -2.300 0.332 100 HG23 ILE 13 3HG2 ILE 13 -5.380 -2.077 -0.833 101 HD11 ILE 13 1HD1 ILE 13 -8.101 1.837 0.159 102 HD12 ILE 13 2HD1 ILE 13 -7.364 0.715 -0.986 103 HD13 ILE 13 3HD1 ILE 13 -6.425 2.062 -0.342 104 H ALA 14 H ALA 14 -2.774 -0.699 0.439 105 HA ALA 14 HA ALA 14 -2.248 -3.234 -0.594 106 HB1 ALA 14 1HB ALA 14 0.125 -2.413 -0.792 107 HB2 ALA 14 2HB ALA 14 -0.365 -0.973 0.101 108 HB3 ALA 14 3HB ALA 14 -1.085 -1.323 -1.470 109 H GLY 15 H GLY 15 -2.096 -2.192 2.619 110 HA2 GLY 15 2HA GLY 15 0.070 -3.658 3.649 111 HA3 GLY 15 1HA GLY 15 -1.354 -3.170 4.562 112 H HIS 16 H HIS 16 -3.399 -4.518 3.754 113 HA HIS 16 HA HIS 16 -2.875 -7.223 4.525 114 HB2 HIS 16 2HB HIS 16 -5.316 -7.535 4.061 115 HB3 HIS 16 1HB HIS 16 -4.970 -6.195 5.156 116 HD2 HIS 16 2HD HIS 16 -5.843 -3.709 4.243 117 HE1 HIS 16 1HE HIS 16 -6.901 -4.900 0.333 118 HE2 HIS 16 2HE HIS 16 -6.953 -2.980 1.995 119 H LEU 17 H LEU 17 -3.058 -5.555 1.500 120 HA LEU 17 HA LEU 17 -3.533 -7.935 -0.078 121 HB2 LEU 17 2HB LEU 17 -4.034 -5.309 -0.510 122 HB3 LEU 17 1HB LEU 17 -2.499 -5.492 -1.349 123 HG LEU 17 HG LEU 17 -4.305 -5.931 -2.914 124 HD11 LEU 17 1HD1 LEU 17 -3.182 -8.624 -2.171 125 HD12 LEU 17 2HD1 LEU 17 -2.142 -7.341 -2.790 126 HD13 LEU 17 3HD1 LEU 17 -3.471 -7.951 -3.774 127 HD21 LEU 17 1HD2 LEU 17 -5.230 -8.404 -1.542 128 HD22 LEU 17 2HD2 LEU 17 -6.152 -7.212 -2.455 129 HD23 LEU 17 3HD2 LEU 17 -5.724 -6.893 -0.775 130 H ALA 18 H ALA 18 -0.829 -5.986 0.982 131 HA ALA 18 HA ALA 18 1.194 -6.652 -0.732 132 HB1 ALA 18 1HB ALA 18 1.214 -6.406 2.275 133 HB2 ALA 18 2HB ALA 18 1.699 -5.203 1.081 134 HB3 ALA 18 3HB ALA 18 2.689 -6.640 1.336 135 H SER 19 H SER 19 -0.658 -8.810 1.137 136 HA SER 19 HA SER 19 1.143 -10.886 1.673 137 HB2 SER 19 2HB SER 19 -0.717 -12.137 2.193 138 HB3 SER 19 1HB SER 19 -1.456 -10.538 2.189 139 HG SER 19 HG SER 19 -2.614 -12.051 0.906 140 H LYS 20 H LYS 20 -0.930 -10.370 -1.179 141 HA LYS 20 HA LYS 20 -0.102 -12.618 -2.636 142 HB2 LYS 20 2HB LYS 20 -1.523 -10.091 -3.181 143 HB3 LYS 20 1HB LYS 20 -0.686 -10.764 -4.576 144 HG2 LYS 20 2HG LYS 20 -2.952 -11.659 -4.496 145 HG3 LYS 20 1HG LYS 20 -1.809 -12.955 -4.144 146 HD2 LYS 20 2HD LYS 20 -2.253 -12.825 -1.790 147 HD3 LYS 20 1HD LYS 20 -3.155 -11.321 -1.980 148 HE2 LYS 20 2HE LYS 20 -4.754 -13.123 -1.729 149 HE3 LYS 20 1HE LYS 20 -4.808 -12.574 -3.404 150 HZ1 LYS 20 1HZ LYS 20 -3.075 -14.397 -3.793 151 HZ2 LYS 20 2HZ LYS 20 -4.694 -14.866 -3.580 152 HZ3 LYS 20 3HZ LYS 20 -3.586 -15.022 -2.301 153 H VAL 21 H VAL 21 1.236 -9.350 -2.429 154 HA VAL 21 HA VAL 21 3.218 -9.777 -4.461 155 HB VAL 21 HB VAL 21 3.038 -7.679 -2.286 156 HG11 VAL 21 1HG1 VAL 21 4.810 -7.977 -4.722 157 HG12 VAL 21 2HG1 VAL 21 5.310 -7.780 -3.043 158 HG13 VAL 21 3HG1 VAL 21 4.564 -6.434 -3.903 159 HG21 VAL 21 1HG2 VAL 21 2.229 -7.681 -5.212 160 HG22 VAL 21 2HG2 VAL 21 2.214 -6.261 -4.166 161 HG23 VAL 21 3HG2 VAL 21 1.136 -7.616 -3.830 162 H MET 22 H MET 22 3.127 -10.003 -0.941 163 HA MET 22 HA MET 22 5.931 -10.420 -0.609 164 HB2 MET 22 2HB MET 22 4.140 -9.678 1.128 165 HB3 MET 22 1HB MET 22 3.891 -11.407 1.327 166 HG2 MET 22 2HG MET 22 5.536 -10.943 2.937 167 HG3 MET 22 1HG MET 22 6.483 -11.525 1.569 168 HE1 MET 22 1HE MET 22 8.846 -10.028 2.553 169 HE2 MET 22 2HE MET 22 7.615 -10.272 3.789 170 HE3 MET 22 3HE MET 22 8.332 -8.678 3.572 171 H ASN 23 H ASN 23 3.232 -12.459 -1.372 172 HA ASN 23 HA ASN 23 4.334 -14.943 -0.596 173 HB2 ASN 23 2HB ASN 23 2.038 -13.991 -2.118 174 HB3 ASN 23 1HB ASN 23 2.667 -15.518 -2.724 175 HD21 ASN 23 1HD2 ASN 23 1.100 -13.957 0.026 176 HD22 ASN 23 2HD2 ASN 23 0.792 -15.385 0.890 177 H LYS 24 H LYS 24 4.640 -12.997 -3.510 178 HA LYS 24 HA LYS 24 6.026 -15.083 -4.960 179 HB2 LYS 24 2HB LYS 24 4.509 -13.136 -5.865 180 HB3 LYS 24 1HB LYS 24 6.030 -12.263 -5.835 181 HG2 LYS 24 2HG LYS 24 6.085 -13.177 -7.981 182 HG3 LYS 24 1HG LYS 24 6.976 -14.386 -7.058 183 HD2 LYS 24 2HD LYS 24 4.985 -15.775 -6.862 184 HD3 LYS 24 1HD LYS 24 4.002 -14.531 -7.636 185 HE2 LYS 24 2HE LYS 24 5.515 -14.737 -9.658 186 HE3 LYS 24 1HE LYS 24 6.236 -16.149 -8.886 187 HZ1 LYS 24 1HZ LYS 24 3.702 -16.794 -8.655 188 HZ2 LYS 24 2HZ LYS 24 4.599 -17.164 -10.050 189 HZ3 LYS 24 3HZ LYS 24 3.571 -15.812 -10.031 190 H LEU 25 H LEU 25 6.937 -11.799 -3.890 191 HA LEU 25 HA LEU 25 9.674 -12.087 -4.430 192 HB2 LEU 25 2HB LEU 25 9.895 -9.993 -3.503 193 HB3 LEU 25 1HB LEU 25 8.163 -9.999 -3.795 194 HG LEU 25 HG LEU 25 8.029 -11.024 -1.376 195 HD11 LEU 25 1HD1 LEU 25 10.273 -9.365 -0.547 196 HD12 LEU 25 2HD1 LEU 25 10.818 -10.678 -1.586 197 HD13 LEU 25 3HD1 LEU 25 9.905 -11.034 -0.122 198 HD21 LEU 25 1HD2 LEU 25 7.072 -8.872 -1.941 199 HD22 LEU 25 2HD2 LEU 25 8.667 -8.123 -1.982 200 HD23 LEU 25 3HD2 LEU 25 7.994 -8.681 -0.451 201 HN1 NH2 26 HN1 NH2 26 7.783 -13.182 -1.661 202 HN2 NH2 26 HN2 NH2 26 9.104 -13.825 -0.795
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