NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627668 | 6cl3 | 30424 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ILE 1 H ILE 1 3.059 -17.812 -1.149 2 HA ILE 1 HA ILE 1 0.361 -16.917 -1.386 3 HB ILE 1 HB ILE 1 0.190 -15.736 0.856 4 HG12 ILE 1 2HG1 ILE 1 2.253 -17.789 1.699 5 HG13 ILE 1 1HG1 ILE 1 2.658 -16.104 1.369 6 HG21 ILE 1 1HG2 ILE 1 0.119 -18.748 0.627 7 HG22 ILE 1 2HG2 ILE 1 -1.228 -17.616 0.518 8 HG23 ILE 1 3HG2 ILE 1 -0.444 -17.906 2.070 9 HD11 ILE 1 1HD1 ILE 1 1.182 -15.334 3.120 10 HD12 ILE 1 2HD1 ILE 1 2.209 -16.595 3.803 11 HD13 ILE 1 3HD1 ILE 1 0.540 -16.959 3.360 12 H TRP 2 H TRP 2 2.726 -16.424 -2.713 13 HA TRP 2 HA TRP 2 3.960 -13.993 -1.820 14 HB2 TRP 2 2HB TRP 2 5.457 -14.357 -3.491 15 HB3 TRP 2 1HB TRP 2 4.707 -15.961 -3.551 16 HD1 TRP 2 HD TRP 2 3.602 -16.626 -5.763 17 HE1 TRP 2 1HE TRP 2 2.989 -15.389 -7.946 18 HE3 TRP 2 3HE TRP 2 4.625 -11.824 -4.383 19 HZ2 TRP 2 2HZ TRP 2 2.938 -12.747 -8.963 20 HZ3 TRP 2 3HZ TRP 2 4.288 -9.957 -5.984 21 HH2 TRP 2 HH TRP 2 3.442 -10.411 -8.273 22 H LEU 3 H LEU 3 1.694 -14.794 -4.414 23 HA LEU 3 HA LEU 3 1.346 -12.155 -5.337 24 HB2 LEU 3 2HB LEU 3 -1.066 -13.317 -5.931 25 HB3 LEU 3 1HB LEU 3 0.392 -13.507 -6.891 26 HG LEU 3 HG LEU 3 0.952 -15.561 -5.697 27 HD11 LEU 3 1HD1 LEU 3 0.102 -15.363 -3.545 28 HD12 LEU 3 2HD1 LEU 3 -1.092 -16.429 -4.280 29 HD13 LEU 3 3HD1 LEU 3 -1.436 -14.707 -4.101 30 HD21 LEU 3 1HD2 LEU 3 -0.497 -15.630 -7.712 31 HD22 LEU 3 2HD2 LEU 3 -1.919 -15.494 -6.677 32 HD23 LEU 3 3HD2 LEU 3 -0.892 -16.924 -6.582 33 H THR 4 H THR 4 -0.007 -13.916 -2.666 34 HA THR 4 HA THR 4 -2.148 -12.115 -2.095 35 HB THR 4 HB THR 4 -0.817 -13.786 -0.036 36 HG1 THR 4 1HG THR 4 -1.275 -14.851 -2.157 37 HG21 THR 4 1HG2 THR 4 -2.622 -12.446 0.787 38 HG22 THR 4 2HG2 THR 4 -3.233 -14.093 0.648 39 HG23 THR 4 3HG2 THR 4 -3.648 -12.895 -0.577 40 H ALA 5 H ALA 5 1.017 -12.668 -0.707 41 HA ALA 5 HA ALA 5 1.089 -10.614 1.168 42 HB1 ALA 5 1HB ALA 5 3.566 -10.647 0.843 43 HB2 ALA 5 2HB ALA 5 3.334 -11.679 -0.569 44 HB3 ALA 5 3HB ALA 5 2.874 -12.259 1.032 45 H LEU 6 H LEU 6 1.614 -10.480 -2.331 46 HA LEU 6 HA LEU 6 2.598 -7.865 -2.496 47 HB2 LEU 6 2HB LEU 6 2.706 -9.313 -4.403 48 HB3 LEU 6 1HB LEU 6 0.955 -9.535 -4.398 49 HG LEU 6 HG LEU 6 0.646 -7.149 -4.928 50 HD11 LEU 6 1HD1 LEU 6 2.513 -6.060 -3.954 51 HD12 LEU 6 2HD1 LEU 6 2.816 -5.949 -5.687 52 HD13 LEU 6 3HD1 LEU 6 3.660 -7.158 -4.721 53 HD21 LEU 6 1HD2 LEU 6 2.647 -8.487 -6.762 54 HD22 LEU 6 2HD2 LEU 6 1.447 -7.276 -7.216 55 HD23 LEU 6 3HD2 LEU 6 0.929 -8.883 -6.704 56 H LYS 7 H LYS 7 -0.580 -9.114 -1.927 57 HA LYS 7 HA LYS 7 -1.895 -6.626 -2.503 58 HB2 LYS 7 2HB LYS 7 -3.711 -7.973 -2.521 59 HB3 LYS 7 1HB LYS 7 -2.706 -9.322 -1.999 60 HG2 LYS 7 2HG LYS 7 -3.741 -7.326 0.022 61 HG3 LYS 7 1HG LYS 7 -4.763 -8.642 -0.543 62 HD2 LYS 7 2HD LYS 7 -3.116 -10.287 0.162 63 HD3 LYS 7 1HD LYS 7 -2.001 -9.028 0.628 64 HE2 LYS 7 2HE LYS 7 -3.407 -10.090 2.506 65 HE3 LYS 7 1HE LYS 7 -3.353 -8.329 2.442 66 HZ1 LYS 7 1HZ LYS 7 -5.616 -9.416 2.689 67 HZ2 LYS 7 2HZ LYS 7 -5.462 -9.869 1.060 68 HZ3 LYS 7 3HZ LYS 7 -5.463 -8.226 1.492 69 H PHE 8 H PHE 8 -0.861 -8.366 0.368 70 HA PHE 8 HA PHE 8 -1.694 -6.391 2.224 71 HB2 PHE 8 2HB PHE 8 -0.867 -8.785 2.716 72 HB3 PHE 8 1HB PHE 8 0.760 -8.121 2.566 73 HD1 PHE 8 1HD PHE 8 0.176 -5.415 3.616 74 HD2 PHE 8 2HD PHE 8 -0.908 -9.273 5.079 75 HE1 PHE 8 1HE PHE 8 0.057 -4.486 5.925 76 HE2 PHE 8 2HE PHE 8 -1.035 -8.375 7.391 77 HZ PHE 8 HZ PHE 8 -0.552 -5.978 7.814 78 H LEU 9 H LEU 9 1.447 -7.096 0.759 79 HA LEU 9 HA LEU 9 2.834 -4.817 1.585 80 HB2 LEU 9 2HB LEU 9 3.078 -6.743 -0.633 81 HB3 LEU 9 1HB LEU 9 3.917 -5.208 -0.847 82 HG LEU 9 HG LEU 9 5.017 -5.556 1.361 83 HD11 LEU 9 1HD1 LEU 9 3.284 -6.965 2.384 84 HD12 LEU 9 2HD1 LEU 9 4.835 -7.804 2.404 85 HD13 LEU 9 3HD1 LEU 9 3.612 -8.241 1.212 86 HD21 LEU 9 1HD2 LEU 9 6.121 -6.311 -0.729 87 HD22 LEU 9 2HD2 LEU 9 5.337 -7.883 -0.564 88 HD23 LEU 9 3HD2 LEU 9 6.527 -7.361 0.629 89 H GLY 10 H GLY 10 0.504 -5.421 -1.013 90 HA2 GLY 10 2HA GLY 10 0.805 -2.857 -2.221 91 HA3 GLY 10 1HA GLY 10 -0.604 -3.862 -2.371 92 H LYS 11 H LYS 11 -1.214 -4.204 0.392 93 HA LYS 11 HA LYS 11 -2.748 -1.920 0.955 94 HB2 LYS 11 2HB LYS 11 -2.240 -4.436 2.196 95 HB3 LYS 11 1HB LYS 11 -2.024 -3.189 3.417 96 HG2 LYS 11 2HG LYS 11 -4.342 -3.791 3.469 97 HG3 LYS 11 1HG LYS 11 -4.259 -2.233 2.650 98 HD2 LYS 11 2HD LYS 11 -5.582 -3.354 1.125 99 HD3 LYS 11 1HD LYS 11 -3.999 -3.815 0.495 100 HE2 LYS 11 2HE LYS 11 -5.399 -5.805 0.705 101 HE3 LYS 11 1HE LYS 11 -4.088 -5.885 1.881 102 HZ1 LYS 11 1HZ LYS 11 -5.506 -5.341 3.619 103 HZ2 LYS 11 2HZ LYS 11 -6.441 -6.402 2.675 104 HZ3 LYS 11 3HZ LYS 11 -6.708 -4.726 2.592 105 H ASN 12 H ASN 12 0.371 -3.021 1.933 106 HA ASN 12 HA ASN 12 1.146 -0.806 3.540 107 HB2 ASN 12 2HB ASN 12 2.309 -3.240 2.329 108 HB3 ASN 12 1HB ASN 12 3.463 -1.982 2.689 109 HD21 ASN 12 1HD2 ASN 12 1.738 -4.543 3.937 110 HD22 ASN 12 2HD2 ASN 12 1.987 -4.242 5.585 111 H LEU 13 H LEU 13 1.217 -1.648 0.159 112 HA LEU 13 HA LEU 13 3.002 0.347 -0.777 113 HB2 LEU 13 2HB LEU 13 2.286 -1.756 -1.977 114 HB3 LEU 13 1HB LEU 13 0.761 -0.950 -2.316 115 HG LEU 13 HG LEU 13 2.121 0.951 -3.331 116 HD11 LEU 13 1HD1 LEU 13 4.292 -1.048 -2.751 117 HD12 LEU 13 2HD1 LEU 13 4.317 0.706 -2.579 118 HD13 LEU 13 3HD1 LEU 13 4.423 -0.023 -4.179 119 HD21 LEU 13 1HD2 LEU 13 2.622 -0.402 -5.431 120 HD22 LEU 13 2HD2 LEU 13 0.982 -0.565 -4.802 121 HD23 LEU 13 3HD2 LEU 13 2.169 -1.837 -4.512 122 H GLY 14 H GLY 14 -0.528 0.115 -0.856 123 HA2 GLY 14 2HA GLY 14 -0.877 2.784 -1.827 124 HA3 GLY 14 1HA GLY 14 -2.138 1.747 -1.189 125 H LYS 15 H LYS 15 -1.158 1.266 1.403 126 HA LYS 15 HA LYS 15 -2.109 3.429 2.856 127 HB2 LYS 15 2HB LYS 15 -1.697 1.331 3.990 128 HB3 LYS 15 1HB LYS 15 0.025 1.397 3.592 129 HG2 LYS 15 2HG LYS 15 -0.972 3.781 5.032 130 HG3 LYS 15 1HG LYS 15 -1.071 2.288 5.963 131 HD2 LYS 15 2HD LYS 15 1.278 1.870 5.717 132 HD3 LYS 15 1HD LYS 15 1.441 3.140 4.504 133 HE2 LYS 15 2HE LYS 15 2.268 3.995 6.620 134 HE3 LYS 15 1HE LYS 15 0.751 4.810 6.245 135 HZ1 LYS 15 1HZ LYS 15 0.960 3.976 8.574 136 HZ2 LYS 15 2HZ LYS 15 0.919 2.394 7.955 137 HZ3 LYS 15 3HZ LYS 15 -0.415 3.427 7.745 138 H LEU 16 H LEU 16 0.910 2.788 1.350 139 HA LEU 16 HA LEU 16 2.359 5.033 2.418 140 HB2 LEU 16 2HB LEU 16 2.870 2.747 0.758 141 HB3 LEU 16 1HB LEU 16 3.473 4.199 -0.039 142 HG LEU 16 HG LEU 16 4.725 4.803 2.005 143 HD11 LEU 16 1HD1 LEU 16 3.201 2.479 3.079 144 HD12 LEU 16 2HD1 LEU 16 3.735 3.948 3.893 145 HD13 LEU 16 3HD1 LEU 16 4.874 2.634 3.617 146 HD21 LEU 16 1HD2 LEU 16 5.730 3.335 0.224 147 HD22 LEU 16 2HD2 LEU 16 5.273 1.932 1.190 148 HD23 LEU 16 3HD2 LEU 16 6.440 3.094 1.820 149 H ALA 17 H ALA 17 0.624 4.191 -0.559 150 HA ALA 17 HA ALA 17 1.176 6.506 -2.037 151 HB1 ALA 17 1HB ALA 17 -1.449 4.994 -1.940 152 HB2 ALA 17 2HB ALA 17 -0.071 4.581 -2.962 153 HB3 ALA 17 3HB ALA 17 -0.937 6.094 -3.218 154 H LYS 18 H LYS 18 -0.851 5.999 0.721 155 HA LYS 18 HA LYS 18 -2.322 8.433 0.535 156 HB2 LYS 18 2HB LYS 18 -2.328 6.065 2.087 157 HB3 LYS 18 1HB LYS 18 -2.051 7.383 3.209 158 HG2 LYS 18 2HG LYS 18 -4.443 7.086 3.001 159 HG3 LYS 18 1HG LYS 18 -4.018 8.577 2.158 160 HD2 LYS 18 2HD LYS 18 -4.994 7.724 0.302 161 HD3 LYS 18 1HD LYS 18 -3.684 6.540 0.239 162 HE2 LYS 18 2HE LYS 18 -6.378 6.236 1.597 163 HE3 LYS 18 1HE LYS 18 -5.747 5.302 0.241 164 HZ1 LYS 18 1HZ LYS 18 -3.894 4.645 1.809 165 HZ2 LYS 18 2HZ LYS 18 -5.422 3.970 2.117 166 HZ3 LYS 18 3HZ LYS 18 -4.856 5.264 3.061 167 H GLN 19 H GLN 19 0.580 7.307 2.278 168 HA GLN 19 HA GLN 19 1.077 9.630 3.770 169 HB2 GLN 19 2HB GLN 19 2.356 7.548 4.077 170 HB3 GLN 19 1HB GLN 19 3.084 7.757 2.477 171 HG2 GLN 19 2HG GLN 19 3.308 10.109 4.277 172 HG3 GLN 19 1HG GLN 19 4.206 8.679 4.797 173 HE21 GLN 19 1HE2 GLN 19 4.695 11.458 3.144 174 HE22 GLN 19 2HE2 GLN 19 5.856 10.932 2.000 175 H GLN 20 H GLN 20 1.533 8.823 0.423 176 HA GLN 20 HA GLN 20 3.141 11.090 -0.277 177 HB2 GLN 20 2HB GLN 20 2.769 8.804 -1.537 178 HB3 GLN 20 1HB GLN 20 1.388 9.646 -2.239 179 HG2 GLN 20 2HG GLN 20 3.011 11.544 -2.788 180 HG3 GLN 20 1HG GLN 20 4.283 10.393 -2.411 181 HE21 GLN 20 1HE2 GLN 20 5.100 9.568 -4.337 182 HE22 GLN 20 2HE2 GLN 20 4.139 9.089 -5.671 183 H LEU 21 H LEU 21 -0.310 10.287 -0.399 184 HA LEU 21 HA LEU 21 -1.136 12.693 -1.680 185 HB2 LEU 21 2HB LEU 21 -2.392 10.413 -1.320 186 HB3 LEU 21 1HB LEU 21 -2.916 11.160 0.192 187 HG LEU 21 HG LEU 21 -3.635 13.175 -1.212 188 HD11 LEU 21 1HD1 LEU 21 -2.864 11.219 -3.356 189 HD12 LEU 21 2HD1 LEU 21 -2.660 12.969 -3.311 190 HD13 LEU 21 3HD1 LEU 21 -4.246 12.277 -3.633 191 HD21 LEU 21 1HD2 LEU 21 -5.199 11.479 -0.268 192 HD22 LEU 21 2HD2 LEU 21 -5.026 10.531 -1.745 193 HD23 LEU 21 3HD2 LEU 21 -5.769 12.128 -1.805 194 H ALA 22 H ALA 22 -1.360 11.634 1.713 195 HA ALA 22 HA ALA 22 -2.426 13.839 2.910 196 HB1 ALA 22 1HB ALA 22 -0.041 12.331 4.003 197 HB2 ALA 22 2HB ALA 22 -1.703 11.748 4.079 198 HB3 ALA 22 3HB ALA 22 -1.245 13.223 4.931 199 H LYS 23 H LYS 23 1.030 13.379 2.165 200 HA LYS 23 HA LYS 23 1.864 15.918 3.081 201 HB2 LYS 23 2HB LYS 23 3.351 13.926 2.621 202 HB3 LYS 23 1HB LYS 23 3.172 14.281 0.903 203 HG2 LYS 23 2HG LYS 23 3.837 16.757 1.896 204 HG3 LYS 23 1HG LYS 23 4.758 15.697 2.963 205 HD2 LYS 23 2HD LYS 23 5.712 14.554 0.969 206 HD3 LYS 23 1HD LYS 23 4.840 15.690 -0.071 207 HE2 LYS 23 2HE LYS 23 7.131 16.233 1.808 208 HE3 LYS 23 1HE LYS 23 6.966 16.676 0.109 209 HZ1 LYS 23 1HZ LYS 23 5.070 18.125 0.838 210 HZ2 LYS 23 2HZ LYS 23 6.610 18.627 1.351 211 HZ3 LYS 23 3HZ LYS 23 5.560 17.851 2.438 212 H LEU 24 H LEU 24 0.918 14.717 -0.118 213 HA LEU 24 HA LEU 24 1.469 17.012 -1.613 214 HB2 LEU 24 2HB LEU 24 0.592 14.579 -2.263 215 HB3 LEU 24 1HB LEU 24 -0.951 15.435 -2.280 216 HG LEU 24 HG LEU 24 0.389 17.218 -3.697 217 HD11 LEU 24 1HD1 LEU 24 2.580 16.122 -3.423 218 HD12 LEU 24 2HD1 LEU 24 2.103 16.139 -5.120 219 HD13 LEU 24 3HD1 LEU 24 1.948 14.658 -4.175 220 HD21 LEU 24 1HD2 LEU 24 -0.624 14.540 -4.683 221 HD22 LEU 24 2HD2 LEU 24 -0.173 15.848 -5.776 222 HD23 LEU 24 3HD2 LEU 24 -1.498 16.071 -4.633 223 HN1 NH2 25 1H LEU 24 -1.047 17.759 -2.779 224 HN2 NH2 25 2H LEU 24 -1.908 18.655 -1.623 Start of MODEL 2 1 H ILE 1 H ILE 1 0.645 -17.011 -2.912 2 HA ILE 1 HA ILE 1 0.291 -16.707 -0.100 3 HB ILE 1 HB ILE 1 2.694 -17.587 0.483 4 HG12 ILE 1 2HG1 ILE 1 1.972 -19.436 -1.808 5 HG13 ILE 1 1HG1 ILE 1 3.152 -18.134 -1.955 6 HG21 ILE 1 1HG2 ILE 1 0.723 -18.513 1.524 7 HG22 ILE 1 2HG2 ILE 1 1.701 -19.866 0.954 8 HG23 ILE 1 3HG2 ILE 1 0.276 -19.362 0.044 9 HD11 ILE 1 1HD1 ILE 1 4.149 -20.391 -1.403 10 HD12 ILE 1 2HD1 ILE 1 3.324 -20.301 0.153 11 HD13 ILE 1 3HD1 ILE 1 4.558 -19.111 -0.262 12 H TRP 2 H TRP 2 2.669 -16.618 -2.738 13 HA TRP 2 HA TRP 2 3.987 -14.270 -1.741 14 HB2 TRP 2 2HB TRP 2 5.504 -14.646 -3.397 15 HB3 TRP 2 1HB TRP 2 4.696 -16.221 -3.505 16 HD1 TRP 2 HD TRP 2 3.612 -16.798 -5.753 17 HE1 TRP 2 1HE TRP 2 3.077 -15.491 -7.916 18 HE3 TRP 2 3HE TRP 2 4.779 -12.069 -4.244 19 HZ2 TRP 2 2HZ TRP 2 3.137 -12.826 -8.873 20 HZ3 TRP 2 3HZ TRP 2 4.536 -10.155 -5.808 21 HH2 TRP 2 HH TRP 2 3.713 -10.526 -8.119 22 H LEU 3 H LEU 3 1.756 -14.908 -4.409 23 HA LEU 3 HA LEU 3 1.526 -12.248 -5.287 24 HB2 LEU 3 2HB LEU 3 -0.929 -13.280 -5.922 25 HB3 LEU 3 1HB LEU 3 0.528 -13.542 -6.865 26 HG LEU 3 HG LEU 3 0.959 -15.633 -5.683 27 HD11 LEU 3 1HD1 LEU 3 0.102 -15.399 -3.538 28 HD12 LEU 3 2HD1 LEU 3 -1.138 -16.398 -4.289 29 HD13 LEU 3 3HD1 LEU 3 -1.396 -14.663 -4.105 30 HD21 LEU 3 1HD2 LEU 3 -0.815 -16.893 -6.700 31 HD22 LEU 3 2HD2 LEU 3 -0.573 -15.470 -7.711 32 HD23 LEU 3 3HD2 LEU 3 -1.929 -15.531 -6.586 33 H THR 4 H THR 4 0.091 -13.965 -2.634 34 HA THR 4 HA THR 4 -1.992 -12.100 -2.069 35 HB THR 4 HB THR 4 -0.713 -13.803 -0.003 36 HG1 THR 4 1HG THR 4 -1.201 -14.865 -2.111 37 HG21 THR 4 1HG2 THR 4 -2.474 -12.385 0.803 38 HG22 THR 4 2HG2 THR 4 -3.121 -14.022 0.704 39 HG23 THR 4 3HG2 THR 4 -3.521 -12.842 -0.542 40 H ALA 5 H ALA 5 1.143 -12.745 -0.660 41 HA ALA 5 HA ALA 5 1.283 -10.711 1.221 42 HB1 ALA 5 1HB ALA 5 3.760 -10.809 0.871 43 HB2 ALA 5 2HB ALA 5 3.482 -11.821 -0.546 44 HB3 ALA 5 3HB ALA 5 3.022 -12.401 1.054 45 H LEU 6 H LEU 6 1.743 -10.555 -2.274 46 HA LEU 6 HA LEU 6 2.792 -7.946 -2.391 47 HB2 LEU 6 2HB LEU 6 2.985 -9.418 -4.276 48 HB3 LEU 6 1HB LEU 6 1.231 -9.610 -4.365 49 HG LEU 6 HG LEU 6 0.983 -7.241 -4.948 50 HD11 LEU 6 1HD1 LEU 6 3.217 -6.047 -5.537 51 HD12 LEU 6 2HD1 LEU 6 3.966 -7.240 -4.475 52 HD13 LEU 6 3HD1 LEU 6 2.753 -6.130 -3.838 53 HD21 LEU 6 1HD2 LEU 6 3.166 -8.455 -6.645 54 HD22 LEU 6 2HD2 LEU 6 1.846 -7.408 -7.166 55 HD23 LEU 6 3HD2 LEU 6 1.510 -9.062 -6.653 56 H LYS 7 H LYS 7 -0.425 -9.171 -1.963 57 HA LYS 7 HA LYS 7 -1.665 -6.655 -2.602 58 HB2 LYS 7 2HB LYS 7 -3.519 -7.945 -2.705 59 HB3 LYS 7 1HB LYS 7 -2.560 -9.329 -2.190 60 HG2 LYS 7 2HG LYS 7 -3.629 -7.377 -0.146 61 HG3 LYS 7 1HG LYS 7 -4.653 -8.654 -0.789 62 HD2 LYS 7 2HD LYS 7 -2.958 -10.332 -0.132 63 HD3 LYS 7 1HD LYS 7 -1.977 -9.063 0.561 64 HE2 LYS 7 2HE LYS 7 -3.902 -8.465 2.057 65 HE3 LYS 7 1HE LYS 7 -4.756 -9.877 1.436 66 HZ1 LYS 7 1HZ LYS 7 -2.425 -10.964 2.105 67 HZ2 LYS 7 2HZ LYS 7 -3.750 -10.874 3.164 68 HZ3 LYS 7 3HZ LYS 7 -2.503 -9.725 3.261 69 H PHE 8 H PHE 8 -0.718 -8.413 0.273 70 HA PHE 8 HA PHE 8 -1.637 -6.473 2.132 71 HB2 PHE 8 2HB PHE 8 -0.804 -8.866 2.616 72 HB3 PHE 8 1HB PHE 8 0.821 -8.187 2.529 73 HD1 PHE 8 1HD PHE 8 0.205 -5.506 3.604 74 HD2 PHE 8 2HD PHE 8 -0.950 -9.381 4.961 75 HE1 PHE 8 1HE PHE 8 0.000 -4.613 5.921 76 HE2 PHE 8 2HE PHE 8 -1.163 -8.521 7.281 77 HZ PHE 8 HZ PHE 8 -0.687 -6.132 7.761 78 H LEU 9 H LEU 9 1.561 -7.128 0.758 79 HA LEU 9 HA LEU 9 2.891 -4.845 1.668 80 HB2 LEU 9 2HB LEU 9 3.241 -6.744 -0.557 81 HB3 LEU 9 1HB LEU 9 4.054 -5.191 -0.743 82 HG LEU 9 HG LEU 9 5.081 -5.528 1.511 83 HD11 LEU 9 1HD1 LEU 9 3.889 -8.306 1.272 84 HD12 LEU 9 2HD1 LEU 9 3.289 -7.053 2.357 85 HD13 LEU 9 3HD1 LEU 9 4.908 -7.715 2.583 86 HD21 LEU 9 1HD2 LEU 9 5.619 -7.925 -0.256 87 HD22 LEU 9 2HD2 LEU 9 6.762 -7.047 0.761 88 HD23 LEU 9 3HD2 LEU 9 6.130 -6.298 -0.705 89 H GLY 10 H GLY 10 0.657 -5.439 -1.011 90 HA2 GLY 10 2HA GLY 10 0.960 -2.854 -2.173 91 HA3 GLY 10 1HA GLY 10 -0.439 -3.867 -2.370 92 H LYS 11 H LYS 11 -1.140 -4.259 0.352 93 HA LYS 11 HA LYS 11 -2.699 -2.005 0.925 94 HB2 LYS 11 2HB LYS 11 -2.202 -4.524 2.138 95 HB3 LYS 11 1HB LYS 11 -1.968 -3.304 3.381 96 HG2 LYS 11 2HG LYS 11 -4.293 -3.892 3.431 97 HG3 LYS 11 1HG LYS 11 -4.195 -2.312 2.654 98 HD2 LYS 11 2HD LYS 11 -5.484 -3.313 1.046 99 HD3 LYS 11 1HD LYS 11 -3.930 -3.926 0.475 100 HE2 LYS 11 2HE LYS 11 -6.016 -5.341 2.134 101 HE3 LYS 11 1HE LYS 11 -5.268 -5.863 0.624 102 HZ1 LYS 11 1HZ LYS 11 -3.510 -5.415 2.911 103 HZ2 LYS 11 2HZ LYS 11 -3.413 -6.578 1.676 104 HZ3 LYS 11 3HZ LYS 11 -4.506 -6.787 2.961 105 H ASN 12 H ASN 12 0.404 -3.082 2.006 106 HA ASN 12 HA ASN 12 1.121 -0.874 3.634 107 HB2 ASN 12 2HB ASN 12 2.337 -3.271 2.414 108 HB3 ASN 12 1HB ASN 12 3.472 -1.996 2.765 109 HD21 ASN 12 1HD2 ASN 12 1.760 -4.566 4.029 110 HD22 ASN 12 2HD2 ASN 12 2.032 -4.267 5.674 111 H LEU 13 H LEU 13 1.251 -1.644 0.239 112 HA LEU 13 HA LEU 13 2.995 0.425 -0.628 113 HB2 LEU 13 2HB LEU 13 2.368 -1.680 -1.878 114 HB3 LEU 13 1HB LEU 13 0.828 -0.912 -2.237 115 HG LEU 13 HG LEU 13 2.181 1.056 -3.162 116 HD11 LEU 13 1HD1 LEU 13 4.492 0.147 -4.019 117 HD12 LEU 13 2HD1 LEU 13 4.355 -0.966 -2.659 118 HD13 LEU 13 3HD1 LEU 13 4.368 0.775 -2.378 119 HD21 LEU 13 1HD2 LEU 13 1.063 -0.398 -4.701 120 HD22 LEU 13 2HD2 LEU 13 2.231 -1.691 -4.432 121 HD23 LEU 13 3HD2 LEU 13 2.713 -0.234 -5.301 122 H GLY 14 H GLY 14 -0.525 0.077 -0.773 123 HA2 GLY 14 2HA GLY 14 -0.940 2.760 -1.688 124 HA3 GLY 14 1HA GLY 14 -2.183 1.668 -1.099 125 H LYS 15 H LYS 15 -1.137 1.145 1.490 126 HA LYS 15 HA LYS 15 -2.211 3.201 3.011 127 HB2 LYS 15 2HB LYS 15 -1.604 1.035 4.004 128 HB3 LYS 15 1HB LYS 15 0.109 1.372 3.728 129 HG2 LYS 15 2HG LYS 15 -1.318 3.498 5.212 130 HG3 LYS 15 1HG LYS 15 -1.240 1.954 6.060 131 HD2 LYS 15 2HD LYS 15 1.152 1.907 5.948 132 HD3 LYS 15 1HD LYS 15 1.192 3.254 4.810 133 HE2 LYS 15 2HE LYS 15 0.027 3.518 7.589 134 HE3 LYS 15 1HE LYS 15 1.727 3.833 7.242 135 HZ1 LYS 15 1HZ LYS 15 0.041 5.127 5.359 136 HZ2 LYS 15 2HZ LYS 15 1.220 5.796 6.382 137 HZ3 LYS 15 3HZ LYS 15 -0.371 5.585 6.939 138 H LEU 16 H LEU 16 0.821 2.796 1.459 139 HA LEU 16 HA LEU 16 2.152 5.096 2.575 140 HB2 LEU 16 2HB LEU 16 2.771 2.872 0.872 141 HB3 LEU 16 1HB LEU 16 3.282 4.367 0.091 142 HG LEU 16 HG LEU 16 4.509 5.012 2.147 143 HD11 LEU 16 1HD1 LEU 16 3.189 2.530 3.153 144 HD12 LEU 16 2HD1 LEU 16 3.567 4.028 4.003 145 HD13 LEU 16 3HD1 LEU 16 4.834 2.841 3.704 146 HD21 LEU 16 1HD2 LEU 16 5.572 3.650 0.298 147 HD22 LEU 16 2HD2 LEU 16 5.258 2.208 1.265 148 HD23 LEU 16 3HD2 LEU 16 6.341 3.460 1.873 149 H ALA 17 H ALA 17 0.409 4.236 -0.376 150 HA ALA 17 HA ALA 17 0.882 6.538 -1.869 151 HB1 ALA 17 1HB ALA 17 -1.328 6.129 -2.934 152 HB2 ALA 17 2HB ALA 17 -1.687 4.946 -1.679 153 HB3 ALA 17 3HB ALA 17 -0.358 4.663 -2.805 154 H LYS 18 H LYS 18 -1.038 6.131 0.990 155 HA LYS 18 HA LYS 18 -2.455 8.627 0.678 156 HB2 LYS 18 2HB LYS 18 -3.768 7.589 2.193 157 HB3 LYS 18 1HB LYS 18 -2.549 6.351 2.464 158 HG2 LYS 18 2HG LYS 18 -2.257 9.063 3.753 159 HG3 LYS 18 1HG LYS 18 -3.311 7.848 4.467 160 HD2 LYS 18 2HD LYS 18 -1.558 6.356 4.883 161 HD3 LYS 18 1HD LYS 18 -0.507 7.103 3.683 162 HE2 LYS 18 2HE LYS 18 -0.484 9.174 5.168 163 HE3 LYS 18 1HE LYS 18 -1.276 8.195 6.401 164 HZ1 LYS 18 1HZ LYS 18 0.698 7.408 6.962 165 HZ2 LYS 18 2HZ LYS 18 1.450 8.294 5.723 166 HZ3 LYS 18 3HZ LYS 18 0.872 6.725 5.420 167 H GLN 19 H GLN 19 0.538 7.490 2.117 168 HA GLN 19 HA GLN 19 1.094 9.848 3.628 169 HB2 GLN 19 2HB GLN 19 2.310 7.761 4.045 170 HB3 GLN 19 1HB GLN 19 2.980 7.805 2.408 171 HG2 GLN 19 2HG GLN 19 3.391 10.288 3.974 172 HG3 GLN 19 1HG GLN 19 4.218 8.866 4.620 173 HE21 GLN 19 1HE2 GLN 19 6.325 9.734 3.960 174 HE22 GLN 19 2HE2 GLN 19 6.788 9.745 2.310 175 H GLN 20 H GLN 20 1.381 8.874 0.319 176 HA GLN 20 HA GLN 20 3.063 11.026 -0.554 177 HB2 GLN 20 2HB GLN 20 2.656 8.761 -1.719 178 HB3 GLN 20 1HB GLN 20 1.139 9.466 -2.283 179 HG2 GLN 20 2HG GLN 20 2.224 10.552 -3.927 180 HG3 GLN 20 1HG GLN 20 3.246 11.353 -2.743 181 HE21 GLN 20 1HE2 GLN 20 5.419 10.982 -3.138 182 HE22 GLN 20 2HE2 GLN 20 6.063 9.531 -3.783 183 H LEU 21 H LEU 21 -0.411 10.412 -0.340 184 HA LEU 21 HA LEU 21 -1.182 12.810 -1.722 185 HB2 LEU 21 2HB LEU 21 -2.522 10.598 -1.308 186 HB3 LEU 21 1HB LEU 21 -2.955 11.361 0.225 187 HG LEU 21 HG LEU 21 -3.648 13.407 -1.149 188 HD11 LEU 21 1HD1 LEU 21 -3.052 11.421 -3.324 189 HD12 LEU 21 2HD1 LEU 21 -2.760 13.159 -3.286 190 HD13 LEU 21 3HD1 LEU 21 -4.391 12.547 -3.543 191 HD21 LEU 21 1HD2 LEU 21 -5.817 12.274 -1.863 192 HD22 LEU 21 2HD2 LEU 21 -5.349 12.017 -0.182 193 HD23 LEU 21 3HD2 LEU 21 -5.080 10.748 -1.376 194 H ALA 22 H ALA 22 -1.356 11.801 1.689 195 HA ALA 22 HA ALA 22 -2.283 14.075 2.882 196 HB1 ALA 22 1HB ALA 22 -1.107 13.416 4.884 197 HB2 ALA 22 2HB ALA 22 0.050 12.469 3.949 198 HB3 ALA 22 3HB ALA 22 -1.633 11.951 4.053 199 H LYS 23 H LYS 23 1.093 13.425 1.962 200 HA LYS 23 HA LYS 23 2.161 15.871 2.873 201 HB2 LYS 23 2HB LYS 23 3.461 13.802 2.208 202 HB3 LYS 23 1HB LYS 23 3.173 14.254 0.528 203 HG2 LYS 23 2HG LYS 23 4.124 16.590 1.287 204 HG3 LYS 23 1HG LYS 23 4.830 15.658 2.608 205 HD2 LYS 23 2HD LYS 23 5.937 14.170 1.004 206 HD3 LYS 23 1HD LYS 23 5.188 15.040 -0.342 207 HE2 LYS 23 2HE LYS 23 6.317 17.148 0.719 208 HE3 LYS 23 1HE LYS 23 7.344 15.973 1.541 209 HZ1 LYS 23 1HZ LYS 23 7.906 15.023 -0.614 210 HZ2 LYS 23 2HZ LYS 23 8.322 16.669 -0.545 211 HZ3 LYS 23 3HZ LYS 23 6.935 16.176 -1.394 212 H LEU 24 H LEU 24 0.985 14.851 -0.323 213 HA LEU 24 HA LEU 24 1.500 17.237 -1.697 214 HB2 LEU 24 2HB LEU 24 0.746 14.915 -2.579 215 HB3 LEU 24 1HB LEU 24 -0.880 15.539 -2.301 216 HG LEU 24 HG LEU 24 0.032 17.643 -3.626 217 HD11 LEU 24 1HD1 LEU 24 1.786 15.378 -4.626 218 HD12 LEU 24 2HD1 LEU 24 2.348 16.823 -3.788 219 HD13 LEU 24 3HD1 LEU 24 1.629 16.958 -5.392 220 HD21 LEU 24 1HD2 LEU 24 -0.715 15.004 -4.926 221 HD22 LEU 24 2HD2 LEU 24 -0.755 16.570 -5.737 222 HD23 LEU 24 3HD2 LEU 24 -1.834 16.253 -4.379 223 HN1 NH2 25 1H LEU 24 -0.987 16.523 0.644 224 HN2 NH2 25 2H LEU 24 -1.854 17.968 0.446 Start of MODEL 3 1 H ILE 1 H ILE 1 3.483 -17.574 -2.103 2 HA ILE 1 HA ILE 1 0.852 -16.754 -1.368 3 HB ILE 1 HB ILE 1 1.441 -15.851 0.948 4 HG12 ILE 1 2HG1 ILE 1 3.570 -18.003 0.818 5 HG13 ILE 1 1HG1 ILE 1 3.924 -16.289 0.598 6 HG21 ILE 1 1HG2 ILE 1 1.192 -18.815 0.386 7 HG22 ILE 1 2HG2 ILE 1 -0.094 -17.682 0.805 8 HG23 ILE 1 3HG2 ILE 1 1.101 -18.147 2.016 9 HD11 ILE 1 1HD1 ILE 1 2.512 -17.413 3.030 10 HD12 ILE 1 2HD1 ILE 1 3.103 -15.766 2.811 11 HD13 ILE 1 3HD1 ILE 1 4.245 -17.100 2.961 12 H TRP 2 H TRP 2 3.327 -16.215 -3.004 13 HA TRP 2 HA TRP 2 4.370 -13.684 -2.229 14 HB2 TRP 2 2HB TRP 2 5.719 -13.896 -4.049 15 HB3 TRP 2 1HB TRP 2 5.109 -15.561 -4.059 16 HD1 TRP 2 HD TRP 2 3.848 -16.303 -6.162 17 HE1 TRP 2 1HE TRP 2 2.914 -15.110 -8.253 18 HE3 TRP 2 3HE TRP 2 4.590 -11.442 -4.813 19 HZ2 TRP 2 2HZ TRP 2 2.535 -12.473 -9.218 20 HZ3 TRP 2 3HZ TRP 2 3.934 -9.599 -6.344 21 HH2 TRP 2 HH TRP 2 2.905 -10.108 -8.544 22 H LEU 3 H LEU 3 1.936 -14.641 -4.604 23 HA LEU 3 HA LEU 3 1.279 -12.038 -5.448 24 HB2 LEU 3 2HB LEU 3 -1.083 -13.381 -5.797 25 HB3 LEU 3 1HB LEU 3 0.277 -13.464 -6.905 26 HG LEU 3 HG LEU 3 1.111 -15.469 -5.788 27 HD11 LEU 3 1HD1 LEU 3 -1.157 -14.796 -3.949 28 HD12 LEU 3 2HD1 LEU 3 0.477 -15.337 -3.560 29 HD13 LEU 3 3HD1 LEU 3 -0.709 -16.485 -4.176 30 HD21 LEU 3 1HD2 LEU 3 -0.372 -15.871 -7.621 31 HD22 LEU 3 2HD2 LEU 3 -1.787 -15.434 -6.662 32 HD23 LEU 3 3HD2 LEU 3 -0.918 -16.932 -6.322 33 H THR 4 H THR 4 0.347 -13.915 -2.672 34 HA THR 4 HA THR 4 -1.849 -12.280 -1.862 35 HB THR 4 HB THR 4 -0.202 -13.870 0.027 36 HG1 THR 4 1HG THR 4 -0.783 -14.953 -2.044 37 HG21 THR 4 1HG2 THR 4 -3.124 -13.166 -0.210 38 HG22 THR 4 2HG2 THR 4 -1.999 -12.684 1.060 39 HG23 THR 4 3HG2 THR 4 -2.517 -14.363 0.933 40 H ALA 5 H ALA 5 1.461 -12.620 -0.769 41 HA ALA 5 HA ALA 5 1.567 -10.587 1.120 42 HB1 ALA 5 1HB ALA 5 3.937 -10.598 0.833 43 HB2 ALA 5 2HB ALA 5 3.803 -11.157 -0.834 44 HB3 ALA 5 3HB ALA 5 3.402 -12.244 0.495 45 H LEU 6 H LEU 6 1.700 -10.379 -2.402 46 HA LEU 6 HA LEU 6 2.488 -7.694 -2.613 47 HB2 LEU 6 2HB LEU 6 2.549 -9.113 -4.543 48 HB3 LEU 6 1HB LEU 6 0.829 -9.482 -4.387 49 HG LEU 6 HG LEU 6 0.293 -7.106 -4.844 50 HD11 LEU 6 1HD1 LEU 6 2.276 -5.767 -5.831 51 HD12 LEU 6 2HD1 LEU 6 3.306 -6.924 -4.987 52 HD13 LEU 6 3HD1 LEU 6 2.189 -5.906 -4.075 53 HD21 LEU 6 1HD2 LEU 6 0.582 -8.897 -6.634 54 HD22 LEU 6 2HD2 LEU 6 2.172 -8.197 -6.941 55 HD23 LEU 6 3HD2 LEU 6 0.719 -7.228 -7.189 56 H LYS 7 H LYS 7 -0.523 -9.188 -1.782 57 HA LYS 7 HA LYS 7 -2.064 -6.799 -2.210 58 HB2 LYS 7 2HB LYS 7 -3.779 -8.267 -2.082 59 HB3 LYS 7 1HB LYS 7 -2.631 -9.550 -1.705 60 HG2 LYS 7 2HG LYS 7 -3.592 -7.692 0.477 61 HG3 LYS 7 1HG LYS 7 -4.585 -9.051 -0.037 62 HD2 LYS 7 2HD LYS 7 -2.702 -10.588 0.383 63 HD3 LYS 7 1HD LYS 7 -1.721 -9.248 0.924 64 HE2 LYS 7 2HE LYS 7 -4.152 -10.440 2.236 65 HE3 LYS 7 1HE LYS 7 -2.563 -10.130 2.936 66 HZ1 LYS 7 1HZ LYS 7 -4.715 -8.212 2.316 67 HZ2 LYS 7 2HZ LYS 7 -3.103 -7.691 2.439 68 HZ3 LYS 7 3HZ LYS 7 -3.864 -8.426 3.768 69 H PHE 8 H PHE 8 -0.617 -8.473 0.511 70 HA PHE 8 HA PHE 8 -1.440 -6.600 2.481 71 HB2 PHE 8 2HB PHE 8 -0.381 -8.923 2.844 72 HB3 PHE 8 1HB PHE 8 1.167 -8.127 2.559 73 HD1 PHE 8 1HD PHE 8 0.494 -5.495 3.722 74 HD2 PHE 8 2HD PHE 8 -0.192 -9.443 5.184 75 HE1 PHE 8 1HE PHE 8 0.517 -4.616 6.052 76 HE2 PHE 8 2HE PHE 8 -0.174 -8.597 7.518 77 HZ PHE 8 HZ PHE 8 0.181 -6.177 7.953 78 H LEU 9 H LEU 9 1.601 -7.026 0.722 79 HA LEU 9 HA LEU 9 2.865 -4.649 1.468 80 HB2 LEU 9 2HB LEU 9 3.074 -6.530 -0.791 81 HB3 LEU 9 1HB LEU 9 3.741 -4.922 -1.070 82 HG LEU 9 HG LEU 9 5.066 -5.166 1.030 83 HD11 LEU 9 1HD1 LEU 9 5.202 -7.424 2.050 84 HD12 LEU 9 2HD1 LEU 9 3.935 -7.980 0.960 85 HD13 LEU 9 3HD1 LEU 9 3.577 -6.753 2.174 86 HD21 LEU 9 1HD2 LEU 9 6.714 -6.683 0.109 87 HD22 LEU 9 2HD2 LEU 9 5.953 -5.841 -1.241 88 HD23 LEU 9 3HD2 LEU 9 5.489 -7.500 -0.862 89 H GLY 10 H GLY 10 0.361 -5.420 -0.911 90 HA2 GLY 10 2HA GLY 10 0.327 -2.838 -2.110 91 HA3 GLY 10 1HA GLY 10 -1.009 -3.947 -2.115 92 H LYS 11 H LYS 11 -1.319 -4.347 0.675 93 HA LYS 11 HA LYS 11 -2.944 -2.201 1.441 94 HB2 LYS 11 2HB LYS 11 -2.156 -4.668 2.566 95 HB3 LYS 11 1HB LYS 11 -1.767 -3.441 3.766 96 HG2 LYS 11 2HG LYS 11 -4.044 -4.166 4.148 97 HG3 LYS 11 1HG LYS 11 -4.098 -2.535 3.479 98 HD2 LYS 11 2HD LYS 11 -5.435 -3.311 1.830 99 HD3 LYS 11 1HD LYS 11 -4.075 -4.267 1.242 100 HE2 LYS 11 2HE LYS 11 -4.715 -6.135 2.677 101 HE3 LYS 11 1HE LYS 11 -6.014 -5.178 3.391 102 HZ1 LYS 11 1HZ LYS 11 -7.331 -5.543 1.648 103 HZ2 LYS 11 2HZ LYS 11 -6.259 -6.795 1.235 104 HZ3 LYS 11 3HZ LYS 11 -6.096 -5.262 0.521 105 H ASN 12 H ASN 12 0.336 -3.048 2.113 106 HA ASN 12 HA ASN 12 1.101 -0.767 3.617 107 HB2 ASN 12 2HB ASN 12 2.301 -3.127 2.317 108 HB3 ASN 12 1HB ASN 12 3.396 -1.783 2.507 109 HD21 ASN 12 1HD2 ASN 12 1.961 -4.393 4.022 110 HD22 ASN 12 2HD2 ASN 12 2.412 -4.037 5.615 111 H LEU 13 H LEU 13 0.895 -1.607 0.239 112 HA LEU 13 HA LEU 13 2.438 0.500 -0.860 113 HB2 LEU 13 2HB LEU 13 1.745 -1.638 -1.998 114 HB3 LEU 13 1HB LEU 13 0.140 -0.943 -2.167 115 HG LEU 13 HG LEU 13 1.258 1.053 -3.302 116 HD11 LEU 13 1HD1 LEU 13 3.595 -0.818 -3.003 117 HD12 LEU 13 2HD1 LEU 13 3.536 0.931 -2.795 118 HD13 LEU 13 3HD1 LEU 13 3.503 0.236 -4.413 119 HD21 LEU 13 1HD2 LEU 13 1.608 -0.269 -5.459 120 HD22 LEU 13 2HD2 LEU 13 0.055 -0.512 -4.660 121 HD23 LEU 13 3HD2 LEU 13 1.325 -1.725 -4.503 122 H GLY 14 H GLY 14 -1.062 0.048 -0.595 123 HA2 GLY 14 2HA GLY 14 -1.677 2.684 -1.516 124 HA3 GLY 14 1HA GLY 14 -2.797 1.576 -0.747 125 H LYS 15 H LYS 15 -1.523 1.179 1.726 126 HA LYS 15 HA LYS 15 -2.451 3.280 3.273 127 HB2 LYS 15 2HB LYS 15 -1.757 1.193 4.318 128 HB3 LYS 15 1HB LYS 15 -0.090 1.438 3.783 129 HG2 LYS 15 2HG LYS 15 -1.217 3.687 5.344 130 HG3 LYS 15 1HG LYS 15 -1.051 2.185 6.250 131 HD2 LYS 15 2HD LYS 15 1.315 2.033 5.616 132 HD3 LYS 15 1HD LYS 15 1.167 3.498 4.648 133 HE2 LYS 15 2HE LYS 15 0.215 4.424 7.011 134 HE3 LYS 15 1HE LYS 15 1.333 3.194 7.600 135 HZ1 LYS 15 1HZ LYS 15 2.285 4.943 5.471 136 HZ2 LYS 15 2HZ LYS 15 3.118 4.297 6.802 137 HZ3 LYS 15 3HZ LYS 15 2.099 5.641 7.006 138 H LEU 16 H LEU 16 0.433 2.821 1.477 139 HA LEU 16 HA LEU 16 1.836 5.168 2.367 140 HB2 LEU 16 2HB LEU 16 2.302 2.863 0.715 141 HB3 LEU 16 1HB LEU 16 2.799 4.319 -0.136 142 HG LEU 16 HG LEU 16 4.654 3.359 1.211 143 HD11 LEU 16 1HD1 LEU 16 5.446 5.423 1.778 144 HD12 LEU 16 2HD1 LEU 16 4.029 5.819 2.747 145 HD13 LEU 16 3HD1 LEU 16 3.971 5.986 0.993 146 HD21 LEU 16 1HD2 LEU 16 2.779 2.674 3.034 147 HD22 LEU 16 2HD2 LEU 16 3.348 4.174 3.766 148 HD23 LEU 16 3HD2 LEU 16 4.482 2.863 3.448 149 H ALA 17 H ALA 17 -0.154 4.188 -0.373 150 HA ALA 17 HA ALA 17 0.283 6.318 -2.081 151 HB1 ALA 17 1HB ALA 17 -2.075 6.000 -2.866 152 HB2 ALA 17 2HB ALA 17 -2.321 4.894 -1.516 153 HB3 ALA 17 3HB ALA 17 -1.146 4.504 -2.773 154 H LYS 18 H LYS 18 -1.937 6.234 0.684 155 HA LYS 18 HA LYS 18 -2.754 8.964 0.237 156 HB2 LYS 18 2HB LYS 18 -4.042 8.774 2.231 157 HB3 LYS 18 1HB LYS 18 -4.169 7.221 1.409 158 HG2 LYS 18 2HG LYS 18 -1.924 6.871 2.987 159 HG3 LYS 18 1HG LYS 18 -2.958 7.866 4.013 160 HD2 LYS 18 2HD LYS 18 -4.844 6.223 3.412 161 HD3 LYS 18 1HD LYS 18 -3.568 5.174 2.794 162 HE2 LYS 18 2HE LYS 18 -2.451 5.605 5.131 163 HE3 LYS 18 1HE LYS 18 -4.080 6.067 5.621 164 HZ1 LYS 18 1HZ LYS 18 -3.086 3.523 5.484 165 HZ2 LYS 18 2HZ LYS 18 -4.070 3.652 4.105 166 HZ3 LYS 18 3HZ LYS 18 -4.719 3.956 5.646 167 H GLN 19 H GLN 19 -0.201 7.321 2.000 168 HA GLN 19 HA GLN 19 0.491 9.520 3.689 169 HB2 GLN 19 2HB GLN 19 1.295 7.141 3.982 170 HB3 GLN 19 1HB GLN 19 2.348 7.397 2.584 171 HG2 GLN 19 2HG GLN 19 2.486 9.479 4.712 172 HG3 GLN 19 1HG GLN 19 3.129 7.889 5.138 173 HE21 GLN 19 1HE2 GLN 19 5.372 8.119 4.927 174 HE22 GLN 19 2HE2 GLN 19 6.147 8.739 3.530 175 H GLN 20 H GLN 20 1.117 8.568 0.412 176 HA GLN 20 HA GLN 20 3.179 10.474 -0.142 177 HB2 GLN 20 2HB GLN 20 2.273 8.243 -1.419 178 HB3 GLN 20 1HB GLN 20 1.479 9.499 -2.368 179 HG2 GLN 20 2HG GLN 20 3.625 10.615 -2.741 180 HG3 GLN 20 1HG GLN 20 4.421 9.394 -1.762 181 HE21 GLN 20 1HE2 GLN 20 4.611 7.201 -2.647 182 HE22 GLN 20 2HE2 GLN 20 4.377 6.916 -4.319 183 H LEU 21 H LEU 21 -0.333 10.356 -0.486 184 HA LEU 21 HA LEU 21 -0.597 12.804 -1.919 185 HB2 LEU 21 2HB LEU 21 -2.296 10.833 -1.536 186 HB3 LEU 21 1HB LEU 21 -2.744 11.756 -0.099 187 HG LEU 21 HG LEU 21 -2.976 13.785 -1.640 188 HD11 LEU 21 1HD1 LEU 21 -1.945 13.268 -3.660 189 HD12 LEU 21 2HD1 LEU 21 -3.619 12.882 -4.050 190 HD13 LEU 21 3HD1 LEU 21 -2.493 11.591 -3.634 191 HD21 LEU 21 1HD2 LEU 21 -4.910 12.560 -0.731 192 HD22 LEU 21 2HD2 LEU 21 -4.809 11.402 -2.058 193 HD23 LEU 21 3HD2 LEU 21 -5.234 13.082 -2.383 194 H ALA 22 H ALA 22 -1.208 11.991 1.497 195 HA ALA 22 HA ALA 22 -1.866 14.428 2.529 196 HB1 ALA 22 1HB ALA 22 -1.800 12.497 3.957 197 HB2 ALA 22 2HB ALA 22 -0.692 13.690 4.632 198 HB3 ALA 22 3HB ALA 22 -0.061 12.317 3.723 199 H LYS 23 H LYS 23 1.476 13.226 2.141 200 HA LYS 23 HA LYS 23 2.750 15.585 2.997 201 HB2 LYS 23 2HB LYS 23 3.800 13.300 2.715 202 HB3 LYS 23 1HB LYS 23 3.842 13.618 0.981 203 HG2 LYS 23 2HG LYS 23 5.051 15.817 1.607 204 HG3 LYS 23 1HG LYS 23 5.299 15.071 3.187 205 HD2 LYS 23 2HD LYS 23 6.374 13.126 2.086 206 HD3 LYS 23 1HD LYS 23 6.167 13.920 0.518 207 HE2 LYS 23 2HE LYS 23 7.436 15.913 1.655 208 HE3 LYS 23 1HE LYS 23 7.975 14.685 2.800 209 HZ1 LYS 23 1HZ LYS 23 8.567 14.957 -0.054 210 HZ2 LYS 23 2HZ LYS 23 8.477 13.390 0.595 211 HZ3 LYS 23 3HZ LYS 23 9.589 14.511 1.223 212 H LEU 24 H LEU 24 1.552 14.551 -0.153 213 HA LEU 24 HA LEU 24 2.760 16.540 -1.729 214 HB2 LEU 24 2HB LEU 24 1.426 14.411 -2.417 215 HB3 LEU 24 1HB LEU 24 0.032 15.488 -2.326 216 HG LEU 24 HG LEU 24 1.552 17.088 -3.788 217 HD11 LEU 24 1HD1 LEU 24 2.570 14.392 -4.704 218 HD12 LEU 24 2HD1 LEU 24 3.475 15.383 -3.560 219 HD13 LEU 24 3HD1 LEU 24 3.136 15.993 -5.179 220 HD21 LEU 24 1HD2 LEU 24 -0.575 16.221 -4.571 221 HD22 LEU 24 2HD2 LEU 24 0.119 14.619 -4.819 222 HD23 LEU 24 3HD2 LEU 24 0.620 15.965 -5.842 223 HN1 NH2 25 1H LEU 24 -0.234 17.277 -2.648 224 HN2 NH2 25 2H LEU 24 -0.535 18.654 -1.702 Start of MODEL 4 1 H ILE 1 H ILE 1 1.838 -17.441 -2.899 2 HA ILE 1 HA ILE 1 0.501 -16.590 -0.528 3 HB ILE 1 HB ILE 1 1.813 -18.444 0.517 4 HG12 ILE 1 2HG1 ILE 1 2.738 -15.666 1.317 5 HG13 ILE 1 1HG1 ILE 1 1.199 -16.387 1.787 6 HG21 ILE 1 1HG2 ILE 1 4.202 -18.382 0.572 7 HG22 ILE 1 2HG2 ILE 1 4.244 -16.766 -0.132 8 HG23 ILE 1 3HG2 ILE 1 3.753 -18.144 -1.117 9 HD11 ILE 1 1HD1 ILE 1 3.980 -17.305 2.540 10 HD12 ILE 1 2HD1 ILE 1 2.554 -18.318 2.762 11 HD13 ILE 1 3HD1 ILE 1 2.683 -16.781 3.616 12 H TRP 2 H TRP 2 3.063 -16.458 -2.823 13 HA TRP 2 HA TRP 2 4.240 -13.995 -2.015 14 HB2 TRP 2 2HB TRP 2 5.639 -14.309 -3.781 15 HB3 TRP 2 1HB TRP 2 4.920 -15.928 -3.808 16 HD1 TRP 2 HD TRP 2 3.699 -16.600 -5.956 17 HE1 TRP 2 1HE TRP 2 2.925 -15.360 -8.086 18 HE3 TRP 2 3HE TRP 2 4.700 -11.789 -4.596 19 HZ2 TRP 2 2HZ TRP 2 2.755 -12.711 -9.074 20 HZ3 TRP 2 3HZ TRP 2 4.224 -9.917 -6.156 21 HH2 TRP 2 HH TRP 2 3.250 -10.370 -8.392 22 H LEU 3 H LEU 3 1.839 -14.806 -4.481 23 HA LEU 3 HA LEU 3 1.386 -12.174 -5.360 24 HB2 LEU 3 2HB LEU 3 -1.044 -13.345 -5.798 25 HB3 LEU 3 1HB LEU 3 0.352 -13.551 -6.843 26 HG LEU 3 HG LEU 3 0.975 -15.598 -5.673 27 HD11 LEU 3 1HD1 LEU 3 -1.297 -14.719 -3.928 28 HD12 LEU 3 2HD1 LEU 3 0.277 -15.372 -3.470 29 HD13 LEU 3 3HD1 LEU 3 -0.969 -16.440 -4.110 30 HD21 LEU 3 1HD2 LEU 3 -1.971 -15.595 -6.394 31 HD22 LEU 3 2HD2 LEU 3 -0.861 -16.964 -6.480 32 HD23 LEU 3 3HD2 LEU 3 -0.668 -15.601 -7.582 33 H THR 4 H THR 4 0.255 -13.945 -2.594 34 HA THR 4 HA THR 4 -1.871 -12.184 -1.879 35 HB THR 4 HB THR 4 -0.359 -13.815 0.084 36 HG1 THR 4 1HG THR 4 -0.947 -14.912 -1.973 37 HG21 THR 4 1HG2 THR 4 -2.110 -12.500 1.044 38 HG22 THR 4 2HG2 THR 4 -2.713 -14.154 0.953 39 HG23 THR 4 3HG2 THR 4 -3.233 -12.960 -0.235 40 H ALA 5 H ALA 5 1.386 -12.665 -0.701 41 HA ALA 5 HA ALA 5 1.558 -10.617 1.160 42 HB1 ALA 5 1HB ALA 5 4.014 -10.573 0.586 43 HB2 ALA 5 2HB ALA 5 3.660 -11.674 -0.746 44 HB3 ALA 5 3HB ALA 5 3.375 -12.184 0.918 45 H LEU 6 H LEU 6 1.751 -10.454 -2.359 46 HA LEU 6 HA LEU 6 2.661 -7.798 -2.558 47 HB2 LEU 6 2HB LEU 6 2.775 -9.243 -4.466 48 HB3 LEU 6 1HB LEU 6 1.038 -9.556 -4.398 49 HG LEU 6 HG LEU 6 0.589 -7.189 -4.926 50 HD11 LEU 6 1HD1 LEU 6 3.606 -7.046 -4.831 51 HD12 LEU 6 2HD1 LEU 6 2.434 -6.005 -4.023 52 HD13 LEU 6 3HD1 LEU 6 2.665 -5.885 -5.767 53 HD21 LEU 6 1HD2 LEU 6 1.254 -7.311 -7.238 54 HD22 LEU 6 2HD2 LEU 6 0.945 -8.958 -6.690 55 HD23 LEU 6 3HD2 LEU 6 2.602 -8.377 -6.846 56 H LYS 7 H LYS 7 -0.444 -9.176 -1.865 57 HA LYS 7 HA LYS 7 -1.858 -6.726 -2.390 58 HB2 LYS 7 2HB LYS 7 -3.644 -8.109 -2.342 59 HB3 LYS 7 1HB LYS 7 -2.578 -9.442 -1.909 60 HG2 LYS 7 2HG LYS 7 -3.570 -7.536 0.216 61 HG3 LYS 7 1HG LYS 7 -4.580 -8.866 -0.339 62 HD2 LYS 7 2HD LYS 7 -2.756 -10.456 0.173 63 HD3 LYS 7 1HD LYS 7 -1.783 -9.138 0.781 64 HE2 LYS 7 2HE LYS 7 -4.319 -10.274 1.930 65 HE3 LYS 7 1HE LYS 7 -2.770 -10.013 2.730 66 HZ1 LYS 7 1HZ LYS 7 -4.748 -7.975 1.891 67 HZ2 LYS 7 2HZ LYS 7 -3.156 -7.581 2.339 68 HZ3 LYS 7 3HZ LYS 7 -4.202 -8.311 3.462 69 H PHE 8 H PHE 8 -0.587 -8.433 0.391 70 HA PHE 8 HA PHE 8 -1.441 -6.544 2.330 71 HB2 PHE 8 2HB PHE 8 -0.444 -8.891 2.727 72 HB3 PHE 8 1HB PHE 8 1.128 -8.123 2.513 73 HD1 PHE 8 1HD PHE 8 0.476 -5.485 3.648 74 HD2 PHE 8 2HD PHE 8 -0.391 -9.412 5.073 75 HE1 PHE 8 1HE PHE 8 0.413 -4.605 5.978 76 HE2 PHE 8 2HE PHE 8 -0.461 -8.564 7.407 77 HZ PHE 8 HZ PHE 8 -0.058 -6.156 7.859 78 H LEU 9 H LEU 9 1.656 -7.030 0.685 79 HA LEU 9 HA LEU 9 2.938 -4.680 1.489 80 HB2 LEU 9 2HB LEU 9 3.193 -6.553 -0.771 81 HB3 LEU 9 1HB LEU 9 3.909 -4.961 -1.010 82 HG LEU 9 HG LEU 9 5.130 -5.261 1.156 83 HD11 LEU 9 1HD1 LEU 9 5.169 -7.468 2.196 84 HD12 LEU 9 2HD1 LEU 9 4.083 -8.100 0.959 85 HD13 LEU 9 3HD1 LEU 9 3.502 -6.899 2.113 86 HD21 LEU 9 1HD2 LEU 9 5.509 -7.321 -1.033 87 HD22 LEU 9 2HD2 LEU 9 6.664 -7.098 0.280 88 HD23 LEU 9 3HD2 LEU 9 6.349 -5.781 -0.849 89 H GLY 10 H GLY 10 0.526 -5.398 -1.001 90 HA2 GLY 10 2HA GLY 10 0.580 -2.806 -2.180 91 HA3 GLY 10 1HA GLY 10 -0.772 -3.895 -2.251 92 H LYS 11 H LYS 11 -1.177 -4.303 0.539 93 HA LYS 11 HA LYS 11 -2.818 -2.140 1.240 94 HB2 LYS 11 2HB LYS 11 -2.077 -4.617 2.403 95 HB3 LYS 11 1HB LYS 11 -1.779 -3.382 3.617 96 HG2 LYS 11 2HG LYS 11 -4.075 -4.200 3.814 97 HG3 LYS 11 1HG LYS 11 -4.088 -2.524 3.265 98 HD2 LYS 11 2HD LYS 11 -5.050 -3.074 1.282 99 HD3 LYS 11 1HD LYS 11 -3.942 -4.424 1.032 100 HE2 LYS 11 2HE LYS 11 -5.284 -5.882 2.397 101 HE3 LYS 11 1HE LYS 11 -6.284 -4.539 2.950 102 HZ1 LYS 11 1HZ LYS 11 -7.402 -5.775 1.220 103 HZ2 LYS 11 2HZ LYS 11 -6.093 -5.543 0.162 104 HZ3 LYS 11 3HZ LYS 11 -7.028 -4.216 0.664 105 H ASN 12 H ASN 12 0.414 -3.042 2.073 106 HA ASN 12 HA ASN 12 1.154 -0.779 3.607 107 HB2 ASN 12 2HB ASN 12 2.365 -3.145 2.336 108 HB3 ASN 12 1HB ASN 12 3.473 -1.813 2.539 109 HD21 ASN 12 1HD2 ASN 12 1.949 -4.385 4.045 110 HD22 ASN 12 2HD2 ASN 12 2.387 -4.030 5.642 111 H LEU 13 H LEU 13 1.056 -1.586 0.216 112 HA LEU 13 HA LEU 13 2.638 0.529 -0.813 113 HB2 LEU 13 2HB LEU 13 1.970 -1.591 -1.999 114 HB3 LEU 13 1HB LEU 13 0.372 -0.890 -2.202 115 HG LEU 13 HG LEU 13 1.485 1.105 -3.300 116 HD11 LEU 13 1HD1 LEU 13 3.816 0.315 -4.301 117 HD12 LEU 13 2HD1 LEU 13 3.869 -0.658 -2.832 118 HD13 LEU 13 3HD1 LEU 13 3.735 1.097 -2.725 119 HD21 LEU 13 1HD2 LEU 13 1.888 -0.120 -5.448 120 HD22 LEU 13 2HD2 LEU 13 0.395 -0.610 -4.648 121 HD23 LEU 13 3HD2 LEU 13 1.825 -1.638 -4.553 122 H GLY 14 H GLY 14 -0.867 0.084 -0.630 123 HA2 GLY 14 2HA GLY 14 -1.468 2.723 -1.540 124 HA3 GLY 14 1HA GLY 14 -2.597 1.619 -0.776 125 H LYS 15 H LYS 15 -1.314 1.217 1.701 126 HA LYS 15 HA LYS 15 -2.250 3.313 3.251 127 HB2 LYS 15 2HB LYS 15 -1.578 1.269 4.341 128 HB3 LYS 15 1HB LYS 15 0.076 1.425 3.737 129 HG2 LYS 15 2HG LYS 15 -0.879 3.754 5.297 130 HG3 LYS 15 1HG LYS 15 -0.752 2.261 6.224 131 HD2 LYS 15 2HD LYS 15 1.559 2.029 5.750 132 HD3 LYS 15 1HD LYS 15 1.491 3.200 4.434 133 HE2 LYS 15 2HE LYS 15 2.518 4.082 6.573 134 HE3 LYS 15 1HE LYS 15 1.155 5.025 5.969 135 HZ1 LYS 15 1HZ LYS 15 0.185 2.971 7.619 136 HZ2 LYS 15 2HZ LYS 15 0.084 4.652 7.851 137 HZ3 LYS 15 3HZ LYS 15 1.417 3.787 8.453 138 H LEU 16 H LEU 16 0.616 2.885 1.427 139 HA LEU 16 HA LEU 16 2.000 5.237 2.335 140 HB2 LEU 16 2HB LEU 16 2.513 2.947 0.687 141 HB3 LEU 16 1HB LEU 16 2.952 4.409 -0.190 142 HG LEU 16 HG LEU 16 4.873 3.563 1.101 143 HD11 LEU 16 1HD1 LEU 16 5.562 5.648 1.713 144 HD12 LEU 16 2HD1 LEU 16 4.153 5.933 2.732 145 HD13 LEU 16 3HD1 LEU 16 4.037 6.151 0.986 146 HD21 LEU 16 1HD2 LEU 16 3.486 4.195 3.685 147 HD22 LEU 16 2HD2 LEU 16 4.815 3.082 3.369 148 HD23 LEU 16 3HD2 LEU 16 3.169 2.638 2.919 149 H ALA 17 H ALA 17 0.033 4.243 -0.415 150 HA ALA 17 HA ALA 17 0.403 6.429 -2.081 151 HB1 ALA 17 1HB ALA 17 -1.911 6.017 -2.914 152 HB2 ALA 17 2HB ALA 17 -2.160 4.908 -1.567 153 HB3 ALA 17 3HB ALA 17 -0.947 4.546 -2.797 154 H LYS 18 H LYS 18 -1.902 6.160 0.608 155 HA LYS 18 HA LYS 18 -2.776 8.887 0.256 156 HB2 LYS 18 2HB LYS 18 -4.048 8.572 2.300 157 HB3 LYS 18 1HB LYS 18 -4.253 7.163 1.260 158 HG2 LYS 18 2HG LYS 18 -2.033 6.470 2.747 159 HG3 LYS 18 1HG LYS 18 -2.998 7.366 3.919 160 HD2 LYS 18 2HD LYS 18 -4.982 5.916 3.036 161 HD3 LYS 18 1HD LYS 18 -3.714 4.866 2.400 162 HE2 LYS 18 2HE LYS 18 -2.722 5.002 4.807 163 HE3 LYS 18 1HE LYS 18 -4.329 5.559 5.267 164 HZ1 LYS 18 1HZ LYS 18 -5.197 3.536 4.980 165 HZ2 LYS 18 2HZ LYS 18 -3.595 2.978 5.064 166 HZ3 LYS 18 3HZ LYS 18 -4.328 3.243 3.554 167 H GLN 19 H GLN 19 -0.212 7.240 1.987 168 HA GLN 19 HA GLN 19 0.353 9.354 3.829 169 HB2 GLN 19 2HB GLN 19 1.259 6.951 3.900 170 HB3 GLN 19 1HB GLN 19 2.388 7.458 2.640 171 HG2 GLN 19 2HG GLN 19 3.676 8.580 4.113 172 HG3 GLN 19 1HG GLN 19 2.289 9.346 4.889 173 HE21 GLN 19 1HE2 GLN 19 2.395 8.848 7.081 174 HE22 GLN 19 2HE2 GLN 19 2.731 7.292 7.711 175 H GLN 20 H GLN 20 1.019 8.651 0.508 176 HA GLN 20 HA GLN 20 3.018 10.658 0.074 177 HB2 GLN 20 2HB GLN 20 2.246 8.491 -1.340 178 HB3 GLN 20 1HB GLN 20 1.293 9.720 -2.169 179 HG2 GLN 20 2HG GLN 20 3.533 11.072 -2.198 180 HG3 GLN 20 1HG GLN 20 4.259 9.495 -1.931 181 HE21 GLN 20 1HE2 GLN 20 5.046 8.818 -3.939 182 HE22 GLN 20 2HE2 GLN 20 4.137 8.858 -5.390 183 H LEU 21 H LEU 21 -0.468 10.385 -0.505 184 HA LEU 21 HA LEU 21 -0.938 12.839 -1.736 185 HB2 LEU 21 2HB LEU 21 -2.531 10.830 -1.206 186 HB3 LEU 21 1HB LEU 21 -2.864 11.716 0.283 187 HG LEU 21 HG LEU 21 -3.314 13.756 -1.199 188 HD11 LEU 21 1HD1 LEU 21 -2.995 11.590 -3.261 189 HD12 LEU 21 2HD1 LEU 21 -2.471 13.272 -3.319 190 HD13 LEU 21 3HD1 LEU 21 -4.171 12.874 -3.539 191 HD21 LEU 21 1HD2 LEU 21 -5.063 11.284 -1.299 192 HD22 LEU 21 2HD2 LEU 21 -5.611 12.876 -1.828 193 HD23 LEU 21 3HD2 LEU 21 -5.152 12.616 -0.145 194 H ALA 22 H ALA 22 -1.206 12.043 1.724 195 HA ALA 22 HA ALA 22 -1.856 14.466 2.800 196 HB1 ALA 22 1HB ALA 22 -0.810 13.771 4.832 197 HB2 ALA 22 2HB ALA 22 0.325 12.731 3.970 198 HB3 ALA 22 3HB ALA 22 -1.385 12.303 4.041 199 H LYS 23 H LYS 23 1.486 13.382 2.147 200 HA LYS 23 HA LYS 23 2.723 15.831 2.792 201 HB2 LYS 23 2HB LYS 23 3.855 13.579 2.514 202 HB3 LYS 23 1HB LYS 23 3.730 13.823 0.772 203 HG2 LYS 23 2HG LYS 23 4.858 16.135 1.272 204 HG3 LYS 23 1HG LYS 23 5.350 15.368 2.783 205 HD2 LYS 23 2HD LYS 23 6.413 13.539 1.526 206 HD3 LYS 23 1HD LYS 23 5.901 14.280 0.003 207 HE2 LYS 23 2HE LYS 23 8.115 15.040 0.244 208 HE3 LYS 23 1HE LYS 23 7.165 16.386 0.870 209 HZ1 LYS 23 1HZ LYS 23 7.540 14.691 3.003 210 HZ2 LYS 23 2HZ LYS 23 8.317 16.178 2.735 211 HZ3 LYS 23 3HZ LYS 23 9.042 14.732 2.217 212 H LEU 24 H LEU 24 1.559 14.494 -0.276 213 HA LEU 24 HA LEU 24 2.419 16.607 -1.928 214 HB2 LEU 24 2HB LEU 24 1.198 14.162 -2.314 215 HB3 LEU 24 1HB LEU 24 -0.063 15.309 -2.770 216 HG LEU 24 HG LEU 24 1.817 16.489 -4.138 217 HD11 LEU 24 1HD1 LEU 24 2.986 13.716 -3.738 218 HD12 LEU 24 2HD1 LEU 24 3.710 15.240 -3.225 219 HD13 LEU 24 3HD1 LEU 24 3.547 14.876 -4.942 220 HD21 LEU 24 1HD2 LEU 24 0.717 13.773 -4.932 221 HD22 LEU 24 2HD2 LEU 24 1.394 14.953 -6.054 222 HD23 LEU 24 3HD2 LEU 24 -0.082 15.328 -5.166 223 HN1 NH2 25 1H LEU 24 0.009 17.426 -3.270 224 HN2 NH2 25 2H LEU 24 -0.837 18.462 -2.225 Start of MODEL 5 1 H ILE 1 H ILE 1 3.277 -17.863 -0.969 2 HA ILE 1 HA ILE 1 0.565 -16.993 -1.133 3 HB ILE 1 HB ILE 1 0.452 -15.768 1.082 4 HG12 ILE 1 2HG1 ILE 1 2.589 -17.753 1.901 5 HG13 ILE 1 1HG1 ILE 1 2.944 -16.070 1.510 6 HG21 ILE 1 1HG2 ILE 1 -0.405 -17.688 2.279 7 HG22 ILE 1 2HG2 ILE 1 0.580 -18.787 1.315 8 HG23 ILE 1 3HG2 ILE 1 -0.760 -17.918 0.567 9 HD11 ILE 1 1HD1 ILE 1 2.595 -16.510 3.972 10 HD12 ILE 1 2HD1 ILE 1 0.917 -16.909 3.600 11 HD13 ILE 1 3HD1 ILE 1 1.525 -15.282 3.296 12 H TRP 2 H TRP 2 2.908 -16.521 -2.535 13 HA TRP 2 HA TRP 2 4.131 -14.052 -1.736 14 HB2 TRP 2 2HB TRP 2 5.594 -14.441 -3.436 15 HB3 TRP 2 1HB TRP 2 4.865 -16.057 -3.432 16 HD1 TRP 2 HD TRP 2 3.723 -16.799 -5.599 17 HE1 TRP 2 1HE TRP 2 3.033 -15.633 -7.797 18 HE3 TRP 2 3HE TRP 2 4.698 -11.947 -4.373 19 HZ2 TRP 2 2HZ TRP 2 2.914 -13.018 -8.884 20 HZ3 TRP 2 3HZ TRP 2 4.292 -10.129 -6.013 21 HH2 TRP 2 HH TRP 2 3.397 -10.657 -8.268 22 H LEU 3 H LEU 3 1.820 -14.956 -4.254 23 HA LEU 3 HA LEU 3 1.406 -12.355 -5.246 24 HB2 LEU 3 2HB LEU 3 -1.005 -13.560 -5.736 25 HB3 LEU 3 1HB LEU 3 0.430 -13.773 -6.727 26 HG LEU 3 HG LEU 3 1.037 -15.779 -5.477 27 HD11 LEU 3 1HD1 LEU 3 0.245 -15.506 -3.310 28 HD12 LEU 3 2HD1 LEU 3 -0.954 -16.613 -3.972 29 HD13 LEU 3 3HD1 LEU 3 -1.317 -14.892 -3.850 30 HD21 LEU 3 1HD2 LEU 3 -0.501 -15.883 -7.451 31 HD22 LEU 3 2HD2 LEU 3 -1.869 -15.810 -6.340 32 HD23 LEU 3 3HD2 LEU 3 -0.772 -17.191 -6.298 33 H THR 4 H THR 4 0.144 -14.046 -2.483 34 HA THR 4 HA THR 4 -2.002 -12.251 -1.917 35 HB THR 4 HB THR 4 -0.602 -13.834 0.165 36 HG1 THR 4 1HG THR 4 -1.093 -14.982 -1.897 37 HG21 THR 4 1HG2 THR 4 -2.992 -14.140 0.925 38 HG22 THR 4 2HG2 THR 4 -3.455 -12.995 -0.333 39 HG23 THR 4 3HG2 THR 4 -2.400 -12.481 0.983 40 H ALA 5 H ALA 5 1.197 -12.718 -0.581 41 HA ALA 5 HA ALA 5 1.289 -10.614 1.228 42 HB1 ALA 5 1HB ALA 5 3.093 -12.236 1.085 43 HB2 ALA 5 2HB ALA 5 3.758 -10.621 0.836 44 HB3 ALA 5 3HB ALA 5 3.501 -11.691 -0.542 45 H LEU 6 H LEU 6 1.678 -10.568 -2.280 46 HA LEU 6 HA LEU 6 2.625 -7.936 -2.530 47 HB2 LEU 6 2HB LEU 6 2.775 -9.454 -4.382 48 HB3 LEU 6 1HB LEU 6 1.028 -9.713 -4.373 49 HG LEU 6 HG LEU 6 0.666 -7.360 -4.997 50 HD11 LEU 6 1HD1 LEU 6 2.819 -6.135 -5.780 51 HD12 LEU 6 2HD1 LEU 6 3.676 -7.280 -4.747 52 HD13 LEU 6 3HD1 LEU 6 2.486 -6.181 -4.049 53 HD21 LEU 6 1HD2 LEU 6 2.753 -8.577 -6.811 54 HD22 LEU 6 2HD2 LEU 6 1.364 -7.590 -7.265 55 HD23 LEU 6 3HD2 LEU 6 1.122 -9.233 -6.672 56 H LYS 7 H LYS 7 -0.523 -9.241 -1.907 57 HA LYS 7 HA LYS 7 -1.884 -6.793 -2.563 58 HB2 LYS 7 2HB LYS 7 -3.683 -8.165 -2.537 59 HB3 LYS 7 1HB LYS 7 -2.651 -9.487 -1.997 60 HG2 LYS 7 2HG LYS 7 -3.708 -7.473 -0.006 61 HG3 LYS 7 1HG LYS 7 -4.711 -8.815 -0.542 62 HD2 LYS 7 2HD LYS 7 -2.964 -10.408 0.137 63 HD3 LYS 7 1HD LYS 7 -1.955 -9.088 0.677 64 HE2 LYS 7 2HE LYS 7 -3.686 -8.421 2.309 65 HE3 LYS 7 1HE LYS 7 -4.695 -9.765 1.773 66 HZ1 LYS 7 1HZ LYS 7 -3.485 -11.225 2.923 67 HZ2 LYS 7 2HZ LYS 7 -2.886 -9.881 3.770 68 HZ3 LYS 7 3HZ LYS 7 -2.008 -10.527 2.468 69 H PHE 8 H PHE 8 -0.754 -8.424 0.324 70 HA PHE 8 HA PHE 8 -1.639 -6.445 2.158 71 HB2 PHE 8 2HB PHE 8 -0.718 -8.797 2.680 72 HB3 PHE 8 1HB PHE 8 0.881 -8.079 2.493 73 HD1 PHE 8 1HD PHE 8 0.234 -5.379 3.505 74 HD2 PHE 8 2HD PHE 8 -0.728 -9.237 5.048 75 HE1 PHE 8 1HE PHE 8 0.117 -4.412 5.798 76 HE2 PHE 8 2HE PHE 8 -0.852 -8.302 7.345 77 HZ PHE 8 HZ PHE 8 -0.428 -5.884 7.720 78 H LEU 9 H LEU 9 1.507 -7.067 0.661 79 HA LEU 9 HA LEU 9 2.823 -4.728 1.431 80 HB2 LEU 9 2HB LEU 9 3.110 -6.687 -0.749 81 HB3 LEU 9 1HB LEU 9 3.883 -5.127 -1.016 82 HG LEU 9 HG LEU 9 5.025 -5.375 1.188 83 HD11 LEU 9 1HD1 LEU 9 3.807 -8.153 1.112 84 HD12 LEU 9 2HD1 LEU 9 3.325 -6.865 2.215 85 HD13 LEU 9 3HD1 LEU 9 4.943 -7.557 2.319 86 HD21 LEU 9 1HD2 LEU 9 6.111 -6.130 -0.925 87 HD22 LEU 9 2HD2 LEU 9 5.430 -7.738 -0.675 88 HD23 LEU 9 3HD2 LEU 9 6.616 -7.097 0.462 89 H GLY 10 H GLY 10 0.483 -5.455 -1.126 90 HA2 GLY 10 2HA GLY 10 0.680 -2.896 -2.372 91 HA3 GLY 10 1HA GLY 10 -0.697 -3.950 -2.491 92 H LYS 11 H LYS 11 -1.259 -4.276 0.288 93 HA LYS 11 HA LYS 11 -2.859 -2.038 0.840 94 HB2 LYS 11 2HB LYS 11 -2.261 -4.512 2.113 95 HB3 LYS 11 1HB LYS 11 -2.037 -3.243 3.310 96 HG2 LYS 11 2HG LYS 11 -4.342 -3.901 3.428 97 HG3 LYS 11 1HG LYS 11 -4.308 -2.343 2.605 98 HD2 LYS 11 2HD LYS 11 -5.614 -3.444 1.071 99 HD3 LYS 11 1HD LYS 11 -4.051 -3.990 0.462 100 HE2 LYS 11 2HE LYS 11 -4.219 -6.033 1.817 101 HE3 LYS 11 1HE LYS 11 -5.761 -5.485 2.474 102 HZ1 LYS 11 1HZ LYS 11 -5.639 -5.454 -0.401 103 HZ2 LYS 11 2HZ LYS 11 -6.841 -6.071 0.629 104 HZ3 LYS 11 3HZ LYS 11 -5.470 -7.004 0.264 105 H ASN 12 H ASN 12 0.307 -3.019 1.804 106 HA ASN 12 HA ASN 12 1.037 -0.756 3.355 107 HB2 ASN 12 2HB ASN 12 2.259 -3.162 2.158 108 HB3 ASN 12 1HB ASN 12 3.376 -1.856 2.447 109 HD21 ASN 12 1HD2 ASN 12 1.759 -4.432 3.816 110 HD22 ASN 12 2HD2 ASN 12 2.070 -4.088 5.446 111 H LEU 13 H LEU 13 1.062 -1.623 -0.024 112 HA LEU 13 HA LEU 13 2.751 0.423 -1.019 113 HB2 LEU 13 2HB LEU 13 2.073 -1.672 -2.221 114 HB3 LEU 13 1HB LEU 13 0.487 -0.957 -2.458 115 HG LEU 13 HG LEU 13 1.662 1.025 -3.541 116 HD11 LEU 13 1HD1 LEU 13 3.986 -0.840 -3.121 117 HD12 LEU 13 2HD1 LEU 13 3.908 0.908 -2.902 118 HD13 LEU 13 3HD1 LEU 13 3.966 0.225 -4.526 119 HD21 LEU 13 1HD2 LEU 13 1.992 -1.704 -4.830 120 HD22 LEU 13 2HD2 LEU 13 1.967 -0.164 -5.689 121 HD23 LEU 13 3HD2 LEU 13 0.522 -0.729 -4.851 122 H GLY 14 H GLY 14 -0.773 0.109 -0.978 123 HA2 GLY 14 2HA GLY 14 -1.197 2.802 -1.882 124 HA3 GLY 14 1HA GLY 14 -2.428 1.715 -1.261 125 H LYS 15 H LYS 15 -1.337 1.162 1.290 126 HA LYS 15 HA LYS 15 -2.327 3.231 2.852 127 HB2 LYS 15 2HB LYS 15 -1.767 1.069 3.845 128 HB3 LYS 15 1HB LYS 15 -0.054 1.311 3.477 129 HG2 LYS 15 2HG LYS 15 -1.275 3.519 5.021 130 HG3 LYS 15 1HG LYS 15 -1.251 1.977 5.873 131 HD2 LYS 15 2HD LYS 15 1.149 1.766 5.533 132 HD3 LYS 15 1HD LYS 15 1.171 3.223 4.540 133 HE2 LYS 15 2HE LYS 15 0.291 4.499 6.526 134 HE3 LYS 15 1HE LYS 15 0.510 3.039 7.491 135 HZ1 LYS 15 1HZ LYS 15 2.459 4.283 7.775 136 HZ2 LYS 15 2HZ LYS 15 2.579 4.654 6.121 137 HZ3 LYS 15 3HZ LYS 15 2.880 3.072 6.665 138 H LEU 16 H LEU 16 0.648 2.777 1.209 139 HA LEU 16 HA LEU 16 2.066 5.028 2.316 140 HB2 LEU 16 2HB LEU 16 2.582 2.821 0.556 141 HB3 LEU 16 1HB LEU 16 3.101 4.319 -0.213 142 HG LEU 16 HG LEU 16 4.434 4.896 1.777 143 HD11 LEU 16 1HD1 LEU 16 2.981 2.552 2.885 144 HD12 LEU 16 2HD1 LEU 16 3.579 3.995 3.700 145 HD13 LEU 16 3HD1 LEU 16 4.684 2.675 3.328 146 HD21 LEU 16 1HD2 LEU 16 5.323 3.408 -0.102 147 HD22 LEU 16 2HD2 LEU 16 5.054 2.041 0.979 148 HD23 LEU 16 3HD2 LEU 16 6.194 3.310 1.429 149 H ALA 17 H ALA 17 0.211 4.254 -0.589 150 HA ALA 17 HA ALA 17 0.694 6.564 -2.065 151 HB1 ALA 17 1HB ALA 17 -1.902 5.027 -1.812 152 HB2 ALA 17 2HB ALA 17 -0.620 4.739 -2.989 153 HB3 ALA 17 3HB ALA 17 -1.563 6.226 -3.059 154 H LYS 18 H LYS 18 -1.170 6.168 0.841 155 HA LYS 18 HA LYS 18 -2.497 8.725 0.606 156 HB2 LYS 18 2HB LYS 18 -3.828 7.694 2.110 157 HB3 LYS 18 1HB LYS 18 -2.647 6.413 2.349 158 HG2 LYS 18 2HG LYS 18 -2.252 9.092 3.677 159 HG3 LYS 18 1HG LYS 18 -3.339 7.902 4.382 160 HD2 LYS 18 2HD LYS 18 -1.635 6.348 4.760 161 HD3 LYS 18 1HD LYS 18 -0.572 7.072 3.556 162 HE2 LYS 18 2HE LYS 18 -0.436 9.116 5.058 163 HE3 LYS 18 1HE LYS 18 -1.282 8.177 6.286 164 HZ1 LYS 18 1HZ LYS 18 1.449 8.123 5.600 165 HZ2 LYS 18 2HZ LYS 18 0.778 6.587 5.320 166 HZ3 LYS 18 3HZ LYS 18 0.654 7.305 6.855 167 H GLN 19 H GLN 19 0.482 7.439 1.932 168 HA GLN 19 HA GLN 19 1.165 9.712 3.516 169 HB2 GLN 19 2HB GLN 19 2.303 7.536 3.771 170 HB3 GLN 19 1HB GLN 19 2.977 7.699 2.145 171 HG2 GLN 19 2HG GLN 19 3.431 10.023 3.939 172 HG3 GLN 19 1HG GLN 19 4.256 8.536 4.411 173 HE21 GLN 19 1HE2 GLN 19 5.259 11.164 3.122 174 HE22 GLN 19 2HE2 GLN 19 6.161 10.625 1.768 175 H GLN 20 H GLN 20 1.278 8.882 0.167 176 HA GLN 20 HA GLN 20 3.034 10.979 -0.688 177 HB2 GLN 20 2HB GLN 20 2.451 8.803 -1.936 178 HB3 GLN 20 1HB GLN 20 0.943 9.605 -2.383 179 HG2 GLN 20 2HG GLN 20 1.997 10.709 -4.037 180 HG3 GLN 20 1HG GLN 20 3.106 11.415 -2.871 181 HE21 GLN 20 1HE2 GLN 20 4.651 9.315 -2.012 182 HE22 GLN 20 2HE2 GLN 20 5.454 8.576 -3.334 183 H LEU 21 H LEU 21 -0.446 10.539 -0.317 184 HA LEU 21 HA LEU 21 -1.160 13.046 -1.538 185 HB2 LEU 21 2HB LEU 21 -2.589 10.893 -1.222 186 HB3 LEU 21 1HB LEU 21 -2.891 11.521 0.398 187 HG LEU 21 HG LEU 21 -3.576 13.714 -0.729 188 HD11 LEU 21 1HD1 LEU 21 -3.207 11.925 -3.114 189 HD12 LEU 21 2HD1 LEU 21 -2.832 13.637 -2.933 190 HD13 LEU 21 3HD1 LEU 21 -4.503 13.119 -3.138 191 HD21 LEU 21 1HD2 LEU 21 -5.282 12.326 0.210 192 HD22 LEU 21 2HD2 LEU 21 -5.126 11.139 -1.087 193 HD23 LEU 21 3HD2 LEU 21 -5.831 12.721 -1.419 194 H ALA 22 H ALA 22 -1.247 11.833 1.805 195 HA ALA 22 HA ALA 22 -2.016 14.058 3.183 196 HB1 ALA 22 1HB ALA 22 -0.455 13.253 5.021 197 HB2 ALA 22 2HB ALA 22 0.101 12.021 3.887 198 HB3 ALA 22 3HB ALA 22 -1.587 12.052 4.400 199 H LYS 23 H LYS 23 1.370 13.293 2.333 200 HA LYS 23 HA LYS 23 2.503 15.672 3.291 201 HB2 LYS 23 2HB LYS 23 3.885 13.763 2.715 202 HB3 LYS 23 1HB LYS 23 3.390 13.870 1.027 203 HG2 LYS 23 2HG LYS 23 4.484 16.392 2.105 204 HG3 LYS 23 1HG LYS 23 5.644 15.066 2.082 205 HD2 LYS 23 2HD LYS 23 5.133 14.669 -0.311 206 HD3 LYS 23 1HD LYS 23 4.007 16.034 -0.284 207 HE2 LYS 23 2HE LYS 23 6.978 16.186 0.318 208 HE3 LYS 23 1HE LYS 23 6.205 16.721 -1.175 209 HZ1 LYS 23 1HZ LYS 23 5.483 17.764 1.505 210 HZ2 LYS 23 2HZ LYS 23 5.003 18.374 -0.007 211 HZ3 LYS 23 3HZ LYS 23 6.622 18.507 0.491 212 H LEU 24 H LEU 24 1.180 14.851 0.107 213 HA LEU 24 HA LEU 24 1.868 17.231 -1.212 214 HB2 LEU 24 2HB LEU 24 0.867 14.959 -2.087 215 HB3 LEU 24 1HB LEU 24 -0.664 15.803 -1.855 216 HG LEU 24 HG LEU 24 0.048 16.173 -4.135 217 HD11 LEU 24 1HD1 LEU 24 -0.891 18.100 -2.743 218 HD12 LEU 24 2HD1 LEU 24 -0.014 18.552 -4.203 219 HD13 LEU 24 3HD1 LEU 24 0.766 18.694 -2.629 220 HD21 LEU 24 1HD2 LEU 24 2.592 15.859 -3.273 221 HD22 LEU 24 2HD2 LEU 24 2.540 17.619 -3.357 222 HD23 LEU 24 3HD2 LEU 24 2.197 16.658 -4.793 223 HN1 NH2 25 1H LEU 24 -1.479 16.424 -0.153 224 HN2 NH2 25 2H LEU 24 -1.875 18.017 0.277 Start of MODEL 6 1 H ILE 1 H ILE 1 2.809 -17.825 -1.853 2 HA ILE 1 HA ILE 1 0.253 -16.790 -1.131 3 HB ILE 1 HB ILE 1 0.808 -16.002 1.199 4 HG12 ILE 1 2HG1 ILE 1 2.922 -18.170 1.117 5 HG13 ILE 1 1HG1 ILE 1 3.307 -16.466 0.871 6 HG21 ILE 1 1HG2 ILE 1 -0.726 -17.825 1.005 7 HG22 ILE 1 2HG2 ILE 1 0.444 -18.308 2.233 8 HG23 ILE 1 3HG2 ILE 1 0.563 -18.956 0.597 9 HD11 ILE 1 1HD1 ILE 1 3.539 -17.324 3.266 10 HD12 ILE 1 2HD1 ILE 1 1.780 -17.450 3.290 11 HD13 ILE 1 3HD1 ILE 1 2.550 -15.879 3.059 12 H TRP 2 H TRP 2 2.928 -16.505 -2.620 13 HA TRP 2 HA TRP 2 4.098 -14.047 -1.832 14 HB2 TRP 2 2HB TRP 2 5.516 -14.395 -3.578 15 HB3 TRP 2 1HB TRP 2 4.764 -16.000 -3.615 16 HD1 TRP 2 HD TRP 2 3.561 -16.648 -5.780 17 HE1 TRP 2 1HE TRP 2 2.842 -15.394 -7.921 18 HE3 TRP 2 3HE TRP 2 4.640 -11.858 -4.407 19 HZ2 TRP 2 2HZ TRP 2 2.743 -12.742 -8.912 20 HZ3 TRP 2 3HZ TRP 2 4.228 -9.978 -5.974 21 HH2 TRP 2 HH TRP 2 3.276 -10.412 -8.225 22 H LEU 3 H LEU 3 1.720 -14.829 -4.331 23 HA LEU 3 HA LEU 3 1.321 -12.190 -5.221 24 HB2 LEU 3 2HB LEU 3 -1.115 -13.326 -5.706 25 HB3 LEU 3 1HB LEU 3 0.299 -13.564 -6.720 26 HG LEU 3 HG LEU 3 0.859 -15.614 -5.528 27 HD11 LEU 3 1HD1 LEU 3 0.125 -15.359 -3.339 28 HD12 LEU 3 2HD1 LEU 3 -1.123 -16.414 -3.995 29 HD13 LEU 3 3HD1 LEU 3 -1.428 -14.684 -3.830 30 HD21 LEU 3 1HD2 LEU 3 -0.585 -15.859 -7.442 31 HD22 LEU 3 2HD2 LEU 3 -1.995 -15.352 -6.510 32 HD23 LEU 3 3HD2 LEU 3 -1.225 -16.903 -6.175 33 H THR 4 H THR 4 0.129 -13.942 -2.471 34 HA THR 4 HA THR 4 -1.990 -12.159 -1.791 35 HB THR 4 HB THR 4 -0.521 -13.795 0.201 36 HG1 THR 4 1HG THR 4 -1.095 -14.892 -1.869 37 HG21 THR 4 1HG2 THR 4 -3.390 -12.940 -0.169 38 HG22 THR 4 2HG2 THR 4 -2.282 -12.448 1.113 39 HG23 THR 4 3HG2 THR 4 -2.877 -14.107 1.050 40 H ALA 5 H ALA 5 1.245 -12.673 -0.566 41 HA ALA 5 HA ALA 5 1.416 -10.613 1.284 42 HB1 ALA 5 1HB ALA 5 3.506 -11.771 -0.571 43 HB2 ALA 5 2HB ALA 5 3.230 -12.163 1.126 44 HB3 ALA 5 3HB ALA 5 3.892 -10.590 0.681 45 H LEU 6 H LEU 6 1.660 -10.481 -2.232 46 HA LEU 6 HA LEU 6 2.609 -7.839 -2.439 47 HB2 LEU 6 2HB LEU 6 2.724 -9.328 -4.327 48 HB3 LEU 6 1HB LEU 6 0.973 -9.563 -4.302 49 HG LEU 6 HG LEU 6 0.687 -7.125 -4.788 50 HD11 LEU 6 1HD1 LEU 6 3.705 -7.284 -4.855 51 HD12 LEU 6 2HD1 LEU 6 2.688 -6.126 -3.996 52 HD13 LEU 6 3HD1 LEU 6 2.829 -6.043 -5.751 53 HD21 LEU 6 1HD2 LEU 6 0.583 -8.700 -6.607 54 HD22 LEU 6 2HD2 LEU 6 2.340 -8.815 -6.674 55 HD23 LEU 6 3HD2 LEU 6 1.535 -7.322 -7.155 56 H LYS 7 H LYS 7 -0.527 -9.168 -1.780 57 HA LYS 7 HA LYS 7 -1.909 -6.719 -2.375 58 HB2 LYS 7 2HB LYS 7 -3.715 -8.077 -2.288 59 HB3 LYS 7 1HB LYS 7 -2.662 -9.410 -1.826 60 HG2 LYS 7 2HG LYS 7 -3.634 -7.446 0.256 61 HG3 LYS 7 1HG LYS 7 -4.655 -8.781 -0.267 62 HD2 LYS 7 2HD LYS 7 -2.837 -10.370 0.278 63 HD3 LYS 7 1HD LYS 7 -1.862 -9.044 0.864 64 HE2 LYS 7 2HE LYS 7 -4.443 -10.099 2.007 65 HE3 LYS 7 1HE LYS 7 -2.882 -9.933 2.812 66 HZ1 LYS 7 1HZ LYS 7 -4.267 -8.165 3.536 67 HZ2 LYS 7 2HZ LYS 7 -4.701 -7.756 1.946 68 HZ3 LYS 7 3HZ LYS 7 -3.113 -7.492 2.490 69 H PHE 8 H PHE 8 -0.640 -8.359 0.437 70 HA PHE 8 HA PHE 8 -1.461 -6.398 2.328 71 HB2 PHE 8 2HB PHE 8 -0.526 -8.756 2.800 72 HB3 PHE 8 1HB PHE 8 1.066 -8.045 2.543 73 HD1 PHE 8 1HD PHE 8 0.507 -5.350 3.597 74 HD2 PHE 8 2HD PHE 8 -0.462 -9.199 5.161 75 HE1 PHE 8 1HE PHE 8 0.497 -4.393 5.898 76 HE2 PHE 8 2HE PHE 8 -0.480 -8.273 7.465 77 HZ PHE 8 HZ PHE 8 -0.000 -5.865 7.834 78 H LEU 9 H LEU 9 1.597 -7.016 0.660 79 HA LEU 9 HA LEU 9 2.972 -4.691 1.371 80 HB2 LEU 9 2HB LEU 9 3.491 -6.844 -0.290 81 HB3 LEU 9 1HB LEU 9 3.344 -5.496 -1.413 82 HG LEU 9 HG LEU 9 5.659 -5.651 -0.741 83 HD11 LEU 9 1HD1 LEU 9 4.753 -3.378 0.974 84 HD12 LEU 9 2HD1 LEU 9 4.254 -3.373 -0.718 85 HD13 LEU 9 3HD1 LEU 9 5.965 -3.414 -0.305 86 HD21 LEU 9 1HD2 LEU 9 5.070 -5.081 2.132 87 HD22 LEU 9 2HD2 LEU 9 6.395 -5.994 1.415 88 HD23 LEU 9 3HD2 LEU 9 4.804 -6.734 1.578 89 H GLY 10 H GLY 10 0.476 -5.374 -1.053 90 HA2 GLY 10 2HA GLY 10 0.597 -2.813 -2.280 91 HA3 GLY 10 1HA GLY 10 -0.798 -3.849 -2.296 92 H LYS 11 H LYS 11 -1.232 -4.193 0.471 93 HA LYS 11 HA LYS 11 -2.732 -1.949 1.178 94 HB2 LYS 11 2HB LYS 11 -2.095 -4.432 2.364 95 HB3 LYS 11 1HB LYS 11 -1.672 -3.203 3.549 96 HG2 LYS 11 2HG LYS 11 -3.983 -3.774 3.914 97 HG3 LYS 11 1HG LYS 11 -3.957 -2.184 3.155 98 HD2 LYS 11 2HD LYS 11 -5.394 -3.059 1.626 99 HD3 LYS 11 1HD LYS 11 -3.987 -3.899 0.970 100 HE2 LYS 11 2HE LYS 11 -4.446 -5.792 2.537 101 HE3 LYS 11 1HE LYS 11 -5.917 -4.967 3.052 102 HZ1 LYS 11 1HZ LYS 11 -6.864 -5.190 0.950 103 HZ2 LYS 11 2HZ LYS 11 -6.120 -6.693 1.218 104 HZ3 LYS 11 3HZ LYS 11 -5.384 -5.547 0.204 105 H ASN 12 H ASN 12 0.488 -2.951 1.927 106 HA ASN 12 HA ASN 12 1.339 -0.688 3.411 107 HB2 ASN 12 2HB ASN 12 2.451 -3.114 2.153 108 HB3 ASN 12 1HB ASN 12 3.603 -1.818 2.350 109 HD21 ASN 12 1HD2 ASN 12 2.043 -4.357 3.856 110 HD22 ASN 12 2HD2 ASN 12 2.475 -4.005 5.456 111 H LEU 13 H LEU 13 1.134 -1.560 0.041 112 HA LEU 13 HA LEU 13 2.773 0.493 -1.046 113 HB2 LEU 13 2HB LEU 13 2.055 -1.650 -2.174 114 HB3 LEU 13 1HB LEU 13 0.475 -0.910 -2.398 115 HG LEU 13 HG LEU 13 1.675 1.036 -3.527 116 HD11 LEU 13 1HD1 LEU 13 3.933 0.875 -2.954 117 HD12 LEU 13 2HD1 LEU 13 3.933 0.147 -4.558 118 HD13 LEU 13 3HD1 LEU 13 3.959 -0.879 -3.126 119 HD21 LEU 13 1HD2 LEU 13 1.981 -1.681 -4.841 120 HD22 LEU 13 2HD2 LEU 13 1.811 -0.131 -5.664 121 HD23 LEU 13 3HD2 LEU 13 0.462 -0.790 -4.738 122 H GLY 14 H GLY 14 -0.743 0.114 -0.873 123 HA2 GLY 14 2HA GLY 14 -1.258 2.768 -1.818 124 HA3 GLY 14 1HA GLY 14 -2.438 1.678 -1.112 125 H LYS 15 H LYS 15 -1.273 1.225 1.408 126 HA LYS 15 HA LYS 15 -2.223 3.336 2.935 127 HB2 LYS 15 2HB LYS 15 -1.617 1.212 3.979 128 HB3 LYS 15 1HB LYS 15 0.081 1.450 3.548 129 HG2 LYS 15 2HG LYS 15 -1.119 3.693 5.064 130 HG3 LYS 15 1HG LYS 15 -1.025 2.177 5.960 131 HD2 LYS 15 2HD LYS 15 1.323 2.055 5.747 132 HD3 LYS 15 1HD LYS 15 1.354 3.221 4.424 133 HE2 LYS 15 2HE LYS 15 2.046 3.995 6.837 134 HE3 LYS 15 1HE LYS 15 1.034 5.046 5.848 135 HZ1 LYS 15 1HZ LYS 15 -0.747 4.711 7.151 136 HZ2 LYS 15 2HZ LYS 15 0.411 4.295 8.324 137 HZ3 LYS 15 3HZ LYS 15 -0.381 3.080 7.440 138 H LEU 16 H LEU 16 0.705 2.851 1.215 139 HA LEU 16 HA LEU 16 2.123 5.153 2.210 140 HB2 LEU 16 2HB LEU 16 2.631 2.890 0.520 141 HB3 LEU 16 1HB LEU 16 3.111 4.364 -0.316 142 HG LEU 16 HG LEU 16 4.473 5.037 1.631 143 HD11 LEU 16 1HD1 LEU 16 3.135 2.656 2.821 144 HD12 LEU 16 2HD1 LEU 16 3.643 4.159 3.585 145 HD13 LEU 16 3HD1 LEU 16 4.828 2.901 3.249 146 HD21 LEU 16 1HD2 LEU 16 6.266 3.521 1.247 147 HD22 LEU 16 2HD2 LEU 16 5.321 3.484 -0.241 148 HD23 LEU 16 3HD2 LEU 16 5.167 2.177 0.933 149 H ALA 17 H ALA 17 0.225 4.252 -0.628 150 HA ALA 17 HA ALA 17 0.651 6.510 -2.195 151 HB1 ALA 17 1HB ALA 17 -1.588 6.086 -3.169 152 HB2 ALA 17 2HB ALA 17 -1.926 4.961 -1.855 153 HB3 ALA 17 3HB ALA 17 -0.641 4.608 -3.011 154 H LYS 18 H LYS 18 -1.342 6.152 0.660 155 HA LYS 18 HA LYS 18 -2.591 8.734 0.327 156 HB2 LYS 18 2HB LYS 18 -4.047 7.723 1.724 157 HB3 LYS 18 1HB LYS 18 -2.902 6.437 2.074 158 HG2 LYS 18 2HG LYS 18 -2.602 9.134 3.392 159 HG3 LYS 18 1HG LYS 18 -3.736 7.949 4.027 160 HD2 LYS 18 2HD LYS 18 -2.067 6.417 4.572 161 HD3 LYS 18 1HD LYS 18 -0.927 7.096 3.413 162 HE2 LYS 18 2HE LYS 18 -0.182 7.740 5.618 163 HE3 LYS 18 1HE LYS 18 -0.851 9.180 4.855 164 HZ1 LYS 18 1HZ LYS 18 -1.889 7.600 7.072 165 HZ2 LYS 18 2HZ LYS 18 -3.032 8.235 5.986 166 HZ3 LYS 18 3HZ LYS 18 -1.964 9.272 6.804 167 H GLN 19 H GLN 19 0.295 7.415 1.800 168 HA GLN 19 HA GLN 19 0.898 9.685 3.435 169 HB2 GLN 19 2HB GLN 19 1.967 7.407 3.654 170 HB3 GLN 19 1HB GLN 19 2.861 7.755 2.167 171 HG2 GLN 19 2HG GLN 19 2.962 9.851 4.290 172 HG3 GLN 19 1HG GLN 19 3.821 8.346 4.628 173 HE21 GLN 19 1HE2 GLN 19 4.417 11.344 3.455 174 HE22 GLN 19 2HE2 GLN 19 5.644 10.983 2.315 175 H GLN 20 H GLN 20 1.224 8.819 0.106 176 HA GLN 20 HA GLN 20 3.053 10.890 -0.650 177 HB2 GLN 20 2HB GLN 20 2.478 8.678 -1.894 178 HB3 GLN 20 1HB GLN 20 1.079 9.563 -2.506 179 HG2 GLN 20 2HG GLN 20 2.376 10.532 -4.069 180 HG3 GLN 20 1HG GLN 20 3.364 11.243 -2.802 181 HE21 GLN 20 1HE2 GLN 20 5.468 10.415 -2.508 182 HE22 GLN 20 2HE2 GLN 20 6.072 9.050 -3.349 183 H LEU 21 H LEU 21 -0.461 10.482 -0.582 184 HA LEU 21 HA LEU 21 -0.993 13.034 -1.824 185 HB2 LEU 21 2HB LEU 21 -2.470 10.883 -1.767 186 HB3 LEU 21 1HB LEU 21 -2.984 11.482 -0.187 187 HG LEU 21 HG LEU 21 -3.471 13.712 -1.351 188 HD11 LEU 21 1HD1 LEU 21 -2.831 11.951 -3.702 189 HD12 LEU 21 2HD1 LEU 21 -2.431 13.648 -3.436 190 HD13 LEU 21 3HD1 LEU 21 -4.074 13.190 -3.871 191 HD21 LEU 21 1HD2 LEU 21 -5.249 12.180 -0.651 192 HD22 LEU 21 2HD2 LEU 21 -5.042 11.233 -2.124 193 HD23 LEU 21 3HD2 LEU 21 -5.656 12.884 -2.216 194 H ALA 22 H ALA 22 -1.541 11.709 1.433 195 HA ALA 22 HA ALA 22 -2.425 13.954 2.743 196 HB1 ALA 22 1HB ALA 22 -1.411 12.990 4.794 197 HB2 ALA 22 2HB ALA 22 -0.521 11.846 3.790 198 HB3 ALA 22 3HB ALA 22 -2.283 11.787 3.845 199 H LYS 23 H LYS 23 0.992 12.947 2.463 200 HA LYS 23 HA LYS 23 2.125 15.192 3.683 201 HB2 LYS 23 2HB LYS 23 3.328 13.076 3.087 202 HB3 LYS 23 1HB LYS 23 3.320 13.595 1.403 203 HG2 LYS 23 2HG LYS 23 4.329 15.625 3.318 204 HG3 LYS 23 1HG LYS 23 5.327 14.180 3.181 205 HD2 LYS 23 2HD LYS 23 5.382 14.457 0.719 206 HD3 LYS 23 1HD LYS 23 4.415 15.931 0.875 207 HE2 LYS 23 2HE LYS 23 7.220 15.437 1.894 208 HE3 LYS 23 1HE LYS 23 6.686 16.659 0.739 209 HZ1 LYS 23 1HZ LYS 23 5.245 17.514 2.622 210 HZ2 LYS 23 2HZ LYS 23 6.917 17.786 2.754 211 HZ3 LYS 23 3HZ LYS 23 6.182 16.543 3.650 212 H LEU 24 H LEU 24 1.647 14.565 0.201 213 HA LEU 24 HA LEU 24 2.483 17.123 -0.650 214 HB2 LEU 24 2HB LEU 24 2.274 15.013 -2.053 215 HB3 LEU 24 1HB LEU 24 0.545 15.366 -2.106 216 HG LEU 24 HG LEU 24 1.382 17.776 -2.839 217 HD11 LEU 24 1HD1 LEU 24 3.417 17.619 -4.235 218 HD12 LEU 24 2HD1 LEU 24 3.639 15.947 -3.721 219 HD13 LEU 24 3HD1 LEU 24 3.779 17.257 -2.547 220 HD21 LEU 24 1HD2 LEU 24 1.242 17.022 -5.209 221 HD22 LEU 24 2HD2 LEU 24 -0.033 16.321 -4.214 222 HD23 LEU 24 3HD2 LEU 24 1.369 15.350 -4.664 223 HN1 NH2 25 1H LEU 24 1.030 18.148 1.257 224 HN2 NH2 25 2H LEU 24 -0.492 18.697 0.745 Start of MODEL 7 1 H ILE 1 H ILE 1 2.519 -17.101 -3.696 2 HA ILE 1 HA ILE 1 0.855 -16.554 -1.447 3 HB ILE 1 HB ILE 1 2.617 -16.710 0.360 4 HG12 ILE 1 2HG1 ILE 1 3.990 -18.639 -1.522 5 HG13 ILE 1 1HG1 ILE 1 4.485 -16.949 -1.407 6 HG21 ILE 1 1HG2 ILE 1 1.647 -19.239 -0.999 7 HG22 ILE 1 2HG2 ILE 1 0.846 -18.353 0.299 8 HG23 ILE 1 3HG2 ILE 1 2.357 -19.205 0.615 9 HD11 ILE 1 1HD1 ILE 1 4.387 -18.937 0.881 10 HD12 ILE 1 2HD1 ILE 1 4.815 -17.233 1.038 11 HD13 ILE 1 3HD1 ILE 1 5.844 -18.319 0.104 12 H TRP 2 H TRP 2 3.609 -16.029 -3.428 13 HA TRP 2 HA TRP 2 4.545 -13.595 -2.320 14 HB2 TRP 2 2HB TRP 2 6.041 -13.623 -4.034 15 HB3 TRP 2 1HB TRP 2 5.428 -15.268 -4.284 16 HD1 TRP 2 HD TRP 2 4.345 -15.752 -6.553 17 HE1 TRP 2 1HE TRP 2 3.597 -14.318 -8.567 18 HE3 TRP 2 3HE TRP 2 4.991 -11.083 -4.606 19 HZ2 TRP 2 2HZ TRP 2 3.313 -11.584 -9.256 20 HZ3 TRP 2 3HZ TRP 2 4.478 -9.072 -5.967 21 HH2 TRP 2 HH TRP 2 3.636 -9.315 -8.290 22 H LEU 3 H LEU 3 2.314 -14.261 -4.982 23 HA LEU 3 HA LEU 3 1.733 -11.572 -5.576 24 HB2 LEU 3 2HB LEU 3 -0.582 -12.824 -6.300 25 HB3 LEU 3 1HB LEU 3 0.882 -12.831 -7.270 26 HG LEU 3 HG LEU 3 1.563 -14.960 -6.299 27 HD11 LEU 3 1HD1 LEU 3 -0.405 -16.081 -4.958 28 HD12 LEU 3 2HD1 LEU 3 -0.847 -14.411 -4.606 29 HD13 LEU 3 3HD1 LEU 3 0.736 -15.026 -4.131 30 HD21 LEU 3 1HD2 LEU 3 0.012 -14.819 -8.290 31 HD22 LEU 3 2HD2 LEU 3 -1.335 -15.061 -7.178 32 HD23 LEU 3 3HD2 LEU 3 -0.118 -16.322 -7.376 33 H THR 4 H THR 4 0.614 -13.718 -3.092 34 HA THR 4 HA THR 4 -1.679 -12.209 -2.305 35 HB THR 4 HB THR 4 -0.132 -13.925 -0.444 36 HG1 THR 4 1HG THR 4 -0.541 -14.826 -2.649 37 HG21 THR 4 1HG2 THR 4 -2.040 -12.853 0.532 38 HG22 THR 4 2HG2 THR 4 -2.480 -14.538 0.258 39 HG23 THR 4 3HG2 THR 4 -3.053 -13.288 -0.845 40 H ALA 5 H ALA 5 1.559 -12.573 -1.040 41 HA ALA 5 HA ALA 5 1.500 -10.721 1.033 42 HB1 ALA 5 1HB ALA 5 3.427 -12.156 0.692 43 HB2 ALA 5 2HB ALA 5 3.962 -10.476 0.622 44 HB3 ALA 5 3HB ALA 5 3.762 -11.402 -0.866 45 H LEU 6 H LEU 6 1.844 -10.196 -2.441 46 HA LEU 6 HA LEU 6 2.575 -7.486 -2.354 47 HB2 LEU 6 2HB LEU 6 2.807 -8.769 -4.383 48 HB3 LEU 6 1HB LEU 6 1.074 -9.104 -4.415 49 HG LEU 6 HG LEU 6 0.628 -6.679 -4.683 50 HD11 LEU 6 1HD1 LEU 6 3.643 -6.581 -4.542 51 HD12 LEU 6 2HD1 LEU 6 2.469 -5.589 -3.676 52 HD13 LEU 6 3HD1 LEU 6 2.736 -5.335 -5.400 53 HD21 LEU 6 1HD2 LEU 6 2.531 -7.985 -6.638 54 HD22 LEU 6 2HD2 LEU 6 1.604 -6.530 -7.000 55 HD23 LEU 6 3HD2 LEU 6 0.770 -8.048 -6.663 56 H LYS 7 H LYS 7 -0.446 -9.107 -1.875 57 HA LYS 7 HA LYS 7 -2.030 -6.739 -2.242 58 HB2 LYS 7 2HB LYS 7 -3.703 -8.264 -2.293 59 HB3 LYS 7 1HB LYS 7 -2.542 -9.532 -1.909 60 HG2 LYS 7 2HG LYS 7 -3.703 -7.805 0.286 61 HG3 LYS 7 1HG LYS 7 -4.593 -9.188 -0.338 62 HD2 LYS 7 2HD LYS 7 -2.729 -10.673 0.182 63 HD3 LYS 7 1HD LYS 7 -1.768 -9.324 0.733 64 HE2 LYS 7 2HE LYS 7 -4.422 -10.115 1.951 65 HE3 LYS 7 1HE LYS 7 -2.853 -10.583 2.607 66 HZ1 LYS 7 1HZ LYS 7 -3.171 -7.759 2.049 67 HZ2 LYS 7 2HZ LYS 7 -2.469 -8.532 3.389 68 HZ3 LYS 7 3HZ LYS 7 -4.156 -8.356 3.294 69 H PHE 8 H PHE 8 -0.666 -8.536 0.434 70 HA PHE 8 HA PHE 8 -1.611 -6.800 2.481 71 HB2 PHE 8 2HB PHE 8 -0.543 -9.129 2.755 72 HB3 PHE 8 1HB PHE 8 1.009 -8.313 2.562 73 HD1 PHE 8 1HD PHE 8 0.298 -5.753 3.848 74 HD2 PHE 8 2HD PHE 8 -0.437 -9.775 5.068 75 HE1 PHE 8 1HE PHE 8 0.241 -5.004 6.223 76 HE2 PHE 8 2HE PHE 8 -0.498 -9.057 7.444 77 HZ PHE 8 HZ PHE 8 -0.159 -6.667 8.022 78 H LEU 9 H LEU 9 1.478 -7.091 0.786 79 HA LEU 9 HA LEU 9 2.716 -4.758 1.697 80 HB2 LEU 9 2HB LEU 9 3.355 -6.735 -0.135 81 HB3 LEU 9 1HB LEU 9 3.138 -5.307 -1.141 82 HG LEU 9 HG LEU 9 5.461 -5.413 -0.454 83 HD11 LEU 9 1HD1 LEU 9 4.400 -3.303 1.381 84 HD12 LEU 9 2HD1 LEU 9 3.952 -3.213 -0.322 85 HD13 LEU 9 3HD1 LEU 9 5.651 -3.195 0.143 86 HD21 LEU 9 1HD2 LEU 9 4.854 -5.034 2.438 87 HD22 LEU 9 2HD2 LEU 9 6.179 -5.904 1.668 88 HD23 LEU 9 3HD2 LEU 9 4.592 -6.659 1.800 89 H GLY 10 H GLY 10 0.244 -5.385 -0.749 90 HA2 GLY 10 2HA GLY 10 0.210 -2.739 -1.793 91 HA3 GLY 10 1HA GLY 10 -1.121 -3.853 -1.879 92 H LYS 11 H LYS 11 -1.509 -4.429 0.844 93 HA LYS 11 HA LYS 11 -3.134 -2.341 1.735 94 HB2 LYS 11 2HB LYS 11 -2.344 -4.877 2.701 95 HB3 LYS 11 1HB LYS 11 -1.999 -3.734 3.991 96 HG2 LYS 11 2HG LYS 11 -4.264 -4.464 4.305 97 HG3 LYS 11 1HG LYS 11 -4.349 -2.827 3.656 98 HD2 LYS 11 2HD LYS 11 -5.757 -3.727 2.104 99 HD3 LYS 11 1HD LYS 11 -4.281 -4.328 1.347 100 HE2 LYS 11 2HE LYS 11 -4.481 -6.440 2.570 101 HE3 LYS 11 1HE LYS 11 -5.906 -5.841 3.417 102 HZ1 LYS 11 1HZ LYS 11 -6.178 -5.546 0.603 103 HZ2 LYS 11 2HZ LYS 11 -7.186 -6.360 1.702 104 HZ3 LYS 11 3HZ LYS 11 -5.857 -7.162 1.008 105 H ASN 12 H ASN 12 0.149 -3.205 2.362 106 HA ASN 12 HA ASN 12 0.870 -1.023 4.041 107 HB2 ASN 12 2HB ASN 12 2.114 -3.288 2.612 108 HB3 ASN 12 1HB ASN 12 3.195 -1.956 2.932 109 HD21 ASN 12 1HD2 ASN 12 1.738 -4.680 4.206 110 HD22 ASN 12 2HD2 ASN 12 2.135 -4.439 5.834 111 H LEU 13 H LEU 13 0.736 -1.662 0.617 112 HA LEU 13 HA LEU 13 2.287 0.508 -0.334 113 HB2 LEU 13 2HB LEU 13 1.615 -1.555 -1.605 114 HB3 LEU 13 1HB LEU 13 0.008 -0.857 -1.750 115 HG LEU 13 HG LEU 13 1.134 1.209 -2.746 116 HD11 LEU 13 1HD1 LEU 13 3.467 -0.686 -2.564 117 HD12 LEU 13 2HD1 LEU 13 3.409 1.043 -2.220 118 HD13 LEU 13 3HD1 LEU 13 3.384 0.474 -3.888 119 HD21 LEU 13 1HD2 LEU 13 -0.071 -0.332 -4.170 120 HD22 LEU 13 2HD2 LEU 13 1.274 -1.473 -4.154 121 HD23 LEU 13 3HD2 LEU 13 1.441 0.076 -4.981 122 H GLY 14 H GLY 14 -1.213 0.036 -0.138 123 HA2 GLY 14 2HA GLY 14 -1.901 2.644 -0.990 124 HA3 GLY 14 1HA GLY 14 -2.956 1.549 -0.124 125 H LYS 15 H LYS 15 -1.625 1.239 2.298 126 HA LYS 15 HA LYS 15 -2.465 3.405 3.799 127 HB2 LYS 15 2HB LYS 15 -1.790 1.384 4.931 128 HB3 LYS 15 1HB LYS 15 -0.151 1.502 4.278 129 HG2 LYS 15 2HG LYS 15 -1.029 3.894 5.782 130 HG3 LYS 15 1HG LYS 15 -0.916 2.431 6.758 131 HD2 LYS 15 2HD LYS 15 1.384 2.102 6.153 132 HD3 LYS 15 1HD LYS 15 1.301 3.355 4.916 133 HE2 LYS 15 2HE LYS 15 2.412 4.197 6.956 134 HE3 LYS 15 1HE LYS 15 0.903 5.057 6.652 135 HZ1 LYS 15 1HZ LYS 15 1.442 4.100 9.003 136 HZ2 LYS 15 2HZ LYS 15 0.841 2.657 8.335 137 HZ3 LYS 15 3HZ LYS 15 -0.140 4.043 8.391 138 H LEU 16 H LEU 16 0.377 2.850 1.951 139 HA LEU 16 HA LEU 16 1.808 5.225 2.723 140 HB2 LEU 16 2HB LEU 16 2.262 2.848 1.203 141 HB3 LEU 16 1HB LEU 16 2.696 4.248 0.226 142 HG LEU 16 HG LEU 16 4.103 5.089 2.100 143 HD11 LEU 16 1HD1 LEU 16 4.613 3.109 3.814 144 HD12 LEU 16 2HD1 LEU 16 2.955 2.657 3.418 145 HD13 LEU 16 3HD1 LEU 16 3.298 4.247 4.100 146 HD21 LEU 16 1HD2 LEU 16 5.813 3.174 1.985 147 HD22 LEU 16 2HD2 LEU 16 5.281 3.845 0.444 148 HD23 LEU 16 3HD2 LEU 16 4.619 2.314 1.013 149 H ALA 17 H ALA 17 -0.247 4.141 0.073 150 HA ALA 17 HA ALA 17 0.172 6.186 -1.743 151 HB1 ALA 17 1HB ALA 17 -1.299 4.352 -2.303 152 HB2 ALA 17 2HB ALA 17 -2.192 5.862 -2.473 153 HB3 ALA 17 3HB ALA 17 -2.447 4.846 -1.057 154 H LYS 18 H LYS 18 -1.991 6.252 1.065 155 HA LYS 18 HA LYS 18 -2.772 8.979 0.527 156 HB2 LYS 18 2HB LYS 18 -4.012 8.887 2.565 157 HB3 LYS 18 1HB LYS 18 -4.197 7.313 1.794 158 HG2 LYS 18 2HG LYS 18 -1.917 6.962 3.327 159 HG3 LYS 18 1HG LYS 18 -2.908 8.004 4.347 160 HD2 LYS 18 2HD LYS 18 -4.836 6.384 3.848 161 HD3 LYS 18 1HD LYS 18 -3.603 5.293 3.216 162 HE2 LYS 18 2HE LYS 18 -2.399 5.720 5.492 163 HE3 LYS 18 1HE LYS 18 -3.978 6.287 6.035 164 HZ1 LYS 18 1HZ LYS 18 -4.465 4.167 6.392 165 HZ2 LYS 18 2HZ LYS 18 -3.074 3.622 5.583 166 HZ3 LYS 18 3HZ LYS 18 -4.494 3.950 4.710 167 H GLN 19 H GLN 19 -0.220 7.349 2.293 168 HA GLN 19 HA GLN 19 0.566 9.580 3.890 169 HB2 GLN 19 2HB GLN 19 1.317 7.136 4.140 170 HB3 GLN 19 1HB GLN 19 2.424 7.456 2.797 171 HG2 GLN 19 2HG GLN 19 2.434 9.437 5.036 172 HG3 GLN 19 1HG GLN 19 3.117 7.846 5.380 173 HE21 GLN 19 1HE2 GLN 19 5.352 8.264 5.303 174 HE22 GLN 19 2HE2 GLN 19 6.145 8.948 3.946 175 H GLN 20 H GLN 20 1.103 8.498 0.632 176 HA GLN 20 HA GLN 20 3.150 10.387 -0.046 177 HB2 GLN 20 2HB GLN 20 2.212 8.098 -1.207 178 HB3 GLN 20 1HB GLN 20 1.420 9.321 -2.200 179 HG2 GLN 20 2HG GLN 20 3.746 10.439 -2.330 180 HG3 GLN 20 1HG GLN 20 4.346 8.889 -1.763 181 HE21 GLN 20 1HE2 GLN 20 3.036 6.971 -3.097 182 HE22 GLN 20 2HE2 GLN 20 3.122 7.189 -4.794 183 H LEU 21 H LEU 21 -0.357 10.157 -0.542 184 HA LEU 21 HA LEU 21 -0.761 12.471 -2.039 185 HB2 LEU 21 2HB LEU 21 -2.389 10.551 -1.143 186 HB3 LEU 21 1HB LEU 21 -2.754 11.774 0.076 187 HG LEU 21 HG LEU 21 -4.315 12.093 -1.726 188 HD11 LEU 21 1HD1 LEU 21 -3.911 14.366 -2.266 189 HD12 LEU 21 2HD1 LEU 21 -2.163 14.151 -2.238 190 HD13 LEU 21 3HD1 LEU 21 -3.081 14.114 -0.733 191 HD21 LEU 21 1HD2 LEU 21 -2.505 10.927 -3.361 192 HD22 LEU 21 2HD2 LEU 21 -2.215 12.614 -3.785 193 HD23 LEU 21 3HD2 LEU 21 -3.826 11.923 -3.969 194 H ALA 22 H ALA 22 -0.873 12.082 1.503 195 HA ALA 22 HA ALA 22 -1.476 14.616 2.320 196 HB1 ALA 22 1HB ALA 22 -1.116 12.923 3.970 197 HB2 ALA 22 2HB ALA 22 0.084 14.180 4.271 198 HB3 ALA 22 3HB ALA 22 0.555 12.689 3.456 199 H LYS 23 H LYS 23 1.838 13.456 1.663 200 HA LYS 23 HA LYS 23 3.061 15.990 1.911 201 HB2 LYS 23 2HB LYS 23 4.363 13.941 2.075 202 HB3 LYS 23 1HB LYS 23 3.955 13.516 0.413 203 HG2 LYS 23 2HG LYS 23 5.127 16.213 0.700 204 HG3 LYS 23 1HG LYS 23 6.216 14.909 1.170 205 HD2 LYS 23 2HD LYS 23 5.810 13.786 -0.998 206 HD3 LYS 23 1HD LYS 23 4.741 15.114 -1.475 207 HE2 LYS 23 2HE LYS 23 7.658 15.456 -0.717 208 HE3 LYS 23 1HE LYS 23 7.065 15.357 -2.375 209 HZ1 LYS 23 1HZ LYS 23 5.461 17.225 -1.248 210 HZ2 LYS 23 2HZ LYS 23 6.819 17.550 -2.215 211 HZ3 LYS 23 3HZ LYS 23 6.959 17.547 -0.522 212 H LEU 24 H LEU 24 1.865 14.176 -0.893 213 HA LEU 24 HA LEU 24 2.714 15.917 -2.910 214 HB2 LEU 24 2HB LEU 24 1.222 13.577 -2.781 215 HB3 LEU 24 1HB LEU 24 0.084 14.766 -3.422 216 HG LEU 24 HG LEU 24 2.022 15.434 -5.027 217 HD11 LEU 24 1HD1 LEU 24 3.802 14.172 -3.918 218 HD12 LEU 24 2HD1 LEU 24 3.539 13.517 -5.533 219 HD13 LEU 24 3HD1 LEU 24 2.899 12.671 -4.125 220 HD21 LEU 24 1HD2 LEU 24 0.500 12.818 -5.203 221 HD22 LEU 24 2HD2 LEU 24 1.403 13.502 -6.555 222 HD23 LEU 24 3HD2 LEU 24 0.033 14.380 -5.877 223 HN1 NH2 25 1H LEU 24 2.250 18.103 -3.029 224 HN2 NH2 25 2H LEU 24 0.748 18.798 -2.654 Start of MODEL 8 1 H ILE 1 H ILE 1 3.730 -17.616 -1.800 2 HA ILE 1 HA ILE 1 0.971 -16.897 -1.846 3 HB ILE 1 HB ILE 1 0.843 -15.857 0.465 4 HG12 ILE 1 2HG1 ILE 1 3.108 -17.782 1.055 5 HG13 ILE 1 1HG1 ILE 1 3.342 -16.048 0.841 6 HG21 ILE 1 1HG2 ILE 1 0.157 -17.941 1.536 7 HG22 ILE 1 2HG2 ILE 1 1.110 -18.878 0.384 8 HG23 ILE 1 3HG2 ILE 1 -0.307 -17.982 -0.165 9 HD11 ILE 1 1HD1 ILE 1 1.609 -17.388 2.936 10 HD12 ILE 1 2HD1 ILE 1 1.687 -15.646 2.674 11 HD13 ILE 1 3HD1 ILE 1 3.119 -16.521 3.219 12 H TRP 2 H TRP 2 3.253 -16.178 -3.245 13 HA TRP 2 HA TRP 2 4.353 -13.713 -2.275 14 HB2 TRP 2 2HB TRP 2 5.785 -13.875 -4.035 15 HB3 TRP 2 1HB TRP 2 5.151 -15.526 -4.147 16 HD1 TRP 2 HD TRP 2 3.987 -16.157 -6.339 17 HE1 TRP 2 1HE TRP 2 3.172 -14.859 -8.419 18 HE3 TRP 2 3HE TRP 2 4.729 -11.370 -4.746 19 HZ2 TRP 2 2HZ TRP 2 2.877 -12.177 -9.285 20 HZ3 TRP 2 3HZ TRP 2 4.176 -9.454 -6.225 21 HH2 TRP 2 HH TRP 2 3.248 -9.850 -8.491 22 H LEU 3 H LEU 3 2.022 -14.539 -4.801 23 HA LEU 3 HA LEU 3 1.442 -11.896 -5.569 24 HB2 LEU 3 2HB LEU 3 -0.918 -13.189 -6.087 25 HB3 LEU 3 1HB LEU 3 0.493 -13.242 -7.131 26 HG LEU 3 HG LEU 3 1.248 -15.303 -6.061 27 HD11 LEU 3 1HD1 LEU 3 0.508 -15.265 -3.864 28 HD12 LEU 3 2HD1 LEU 3 -0.666 -16.362 -4.587 29 HD13 LEU 3 3HD1 LEU 3 -1.094 -14.674 -4.304 30 HD21 LEU 3 1HD2 LEU 3 -0.229 -15.468 -8.000 31 HD22 LEU 3 2HD2 LEU 3 -1.647 -15.300 -6.965 32 HD23 LEU 3 3HD2 LEU 3 -0.636 -16.740 -6.849 33 H THR 4 H THR 4 0.360 -13.859 -2.911 34 HA THR 4 HA THR 4 -1.859 -12.232 -2.148 35 HB THR 4 HB THR 4 -0.309 -13.888 -0.236 36 HG1 THR 4 1HG THR 4 -0.808 -14.905 -2.364 37 HG21 THR 4 1HG2 THR 4 -3.216 -13.170 -0.582 38 HG22 THR 4 2HG2 THR 4 -2.144 -12.699 0.737 39 HG23 THR 4 3HG2 THR 4 -2.653 -14.379 0.571 40 H ALA 5 H ALA 5 1.398 -12.629 -0.930 41 HA ALA 5 HA ALA 5 1.436 -10.657 1.024 42 HB1 ALA 5 1HB ALA 5 3.658 -11.459 -0.877 43 HB2 ALA 5 2HB ALA 5 3.311 -12.186 0.692 44 HB3 ALA 5 3HB ALA 5 3.884 -10.521 0.600 45 H LEU 6 H LEU 6 1.724 -10.342 -2.480 46 HA LEU 6 HA LEU 6 2.533 -7.657 -2.576 47 HB2 LEU 6 2HB LEU 6 2.665 -9.043 -4.535 48 HB3 LEU 6 1HB LEU 6 0.929 -9.361 -4.481 49 HG LEU 6 HG LEU 6 0.497 -6.947 -4.878 50 HD11 LEU 6 1HD1 LEU 6 2.408 -5.841 -4.014 51 HD12 LEU 6 2HD1 LEU 6 2.572 -5.671 -5.761 52 HD13 LEU 6 3HD1 LEU 6 3.518 -6.887 -4.901 53 HD21 LEU 6 1HD2 LEU 6 2.402 -8.097 -6.925 54 HD22 LEU 6 2HD2 LEU 6 1.038 -7.016 -7.214 55 HD23 LEU 6 3HD2 LEU 6 0.752 -8.682 -6.708 56 H LYS 7 H LYS 7 -0.525 -9.152 -1.931 57 HA LYS 7 HA LYS 7 -2.023 -6.738 -2.357 58 HB2 LYS 7 2HB LYS 7 -3.753 -8.195 -2.366 59 HB3 LYS 7 1HB LYS 7 -2.636 -9.499 -1.968 60 HG2 LYS 7 2HG LYS 7 -3.703 -7.699 0.214 61 HG3 LYS 7 1HG LYS 7 -4.669 -9.039 -0.391 62 HD2 LYS 7 2HD LYS 7 -2.822 -10.596 0.089 63 HD3 LYS 7 1HD LYS 7 -1.859 -9.276 0.707 64 HE2 LYS 7 2HE LYS 7 -4.584 -9.946 1.823 65 HE3 LYS 7 1HE LYS 7 -3.097 -10.649 2.463 66 HZ1 LYS 7 1HZ LYS 7 -2.333 -8.597 3.171 67 HZ2 LYS 7 2HZ LYS 7 -3.994 -8.513 3.522 68 HZ3 LYS 7 3HZ LYS 7 -3.372 -7.729 2.149 69 H PHE 8 H PHE 8 -0.726 -8.507 0.377 70 HA PHE 8 HA PHE 8 -1.634 -6.683 2.357 71 HB2 PHE 8 2HB PHE 8 -0.625 -9.031 2.706 72 HB3 PHE 8 1HB PHE 8 0.945 -8.249 2.526 73 HD1 PHE 8 1HD PHE 8 0.225 -5.638 3.724 74 HD2 PHE 8 2HD PHE 8 -0.544 -9.623 5.042 75 HE1 PHE 8 1HE PHE 8 0.136 -4.823 6.078 76 HE2 PHE 8 2HE PHE 8 -0.640 -8.840 7.397 77 HZ PHE 8 HZ PHE 8 -0.298 -6.436 7.916 78 H LEU 9 H LEU 9 1.487 -7.098 0.746 79 HA LEU 9 HA LEU 9 2.744 -4.763 1.626 80 HB2 LEU 9 2HB LEU 9 3.039 -6.575 -0.679 81 HB3 LEU 9 1HB LEU 9 3.747 -4.973 -0.866 82 HG LEU 9 HG LEU 9 4.959 -5.315 1.287 83 HD11 LEU 9 1HD1 LEU 9 4.996 -7.589 2.255 84 HD12 LEU 9 2HD1 LEU 9 3.802 -8.111 1.067 85 HD13 LEU 9 3HD1 LEU 9 3.367 -6.915 2.286 86 HD21 LEU 9 1HD2 LEU 9 6.639 -6.777 0.389 87 HD22 LEU 9 2HD2 LEU 9 5.904 -5.964 -0.993 88 HD23 LEU 9 3HD2 LEU 9 5.458 -7.627 -0.607 89 H GLY 10 H GLY 10 0.350 -5.419 -0.897 90 HA2 GLY 10 2HA GLY 10 0.428 -2.792 -2.002 91 HA3 GLY 10 1HA GLY 10 -0.915 -3.885 -2.142 92 H LYS 11 H LYS 11 -1.403 -4.389 0.613 93 HA LYS 11 HA LYS 11 -3.061 -2.250 1.345 94 HB2 LYS 11 2HB LYS 11 -2.323 -4.768 2.448 95 HB3 LYS 11 1HB LYS 11 -2.119 -3.564 3.712 96 HG2 LYS 11 2HG LYS 11 -4.402 -4.446 3.761 97 HG3 LYS 11 1HG LYS 11 -4.428 -2.751 3.273 98 HD2 LYS 11 2HD LYS 11 -5.142 -3.233 1.151 99 HD3 LYS 11 1HD LYS 11 -4.164 -4.697 1.044 100 HE2 LYS 11 2HE LYS 11 -5.764 -5.970 2.280 101 HE3 LYS 11 1HE LYS 11 -6.636 -4.521 2.780 102 HZ1 LYS 11 1HZ LYS 11 -7.691 -5.762 0.927 103 HZ2 LYS 11 2HZ LYS 11 -6.348 -5.385 -0.044 104 HZ3 LYS 11 3HZ LYS 11 -7.342 -4.145 0.556 105 H ASN 12 H ASN 12 0.171 -3.150 2.136 106 HA ASN 12 HA ASN 12 0.860 -0.949 3.803 107 HB2 ASN 12 2HB ASN 12 2.129 -3.252 2.452 108 HB3 ASN 12 1HB ASN 12 3.211 -1.932 2.816 109 HD21 ASN 12 1HD2 ASN 12 1.714 -4.647 4.028 110 HD22 ASN 12 2HD2 ASN 12 2.015 -4.392 5.675 111 H LEU 13 H LEU 13 0.853 -1.650 0.387 112 HA LEU 13 HA LEU 13 2.486 0.470 -0.537 113 HB2 LEU 13 2HB LEU 13 1.830 -1.594 -1.803 114 HB3 LEU 13 1HB LEU 13 0.235 -0.884 -2.012 115 HG LEU 13 HG LEU 13 1.356 1.133 -3.045 116 HD11 LEU 13 1HD1 LEU 13 3.746 -0.600 -2.527 117 HD12 LEU 13 2HD1 LEU 13 3.589 1.153 -2.427 118 HD13 LEU 13 3HD1 LEU 13 3.726 0.370 -3.999 119 HD21 LEU 13 1HD2 LEU 13 0.325 -0.544 -4.469 120 HD22 LEU 13 2HD2 LEU 13 1.746 -1.583 -4.339 121 HD23 LEU 13 3HD2 LEU 13 1.851 -0.051 -5.206 122 H GLY 14 H GLY 14 -1.034 0.093 -0.497 123 HA2 GLY 14 2HA GLY 14 -1.547 2.762 -1.361 124 HA3 GLY 14 1HA GLY 14 -2.725 1.664 -0.669 125 H LYS 15 H LYS 15 -1.644 1.190 1.859 126 HA LYS 15 HA LYS 15 -2.577 3.313 3.376 127 HB2 LYS 15 2HB LYS 15 -2.016 1.129 4.373 128 HB3 LYS 15 1HB LYS 15 -0.299 1.417 4.059 129 HG2 LYS 15 2HG LYS 15 -1.644 3.593 5.548 130 HG3 LYS 15 1HG LYS 15 -1.578 2.058 6.411 131 HD2 LYS 15 2HD LYS 15 0.789 1.977 6.321 132 HD3 LYS 15 1HD LYS 15 0.867 3.214 5.068 133 HE2 LYS 15 2HE LYS 15 0.041 4.899 6.653 134 HE3 LYS 15 1HE LYS 15 -0.091 3.669 7.910 135 HZ1 LYS 15 1HZ LYS 15 2.485 3.958 6.561 136 HZ2 LYS 15 2HZ LYS 15 2.143 3.563 8.178 137 HZ3 LYS 15 3HZ LYS 15 2.039 5.176 7.655 138 H LEU 16 H LEU 16 0.400 2.767 1.752 139 HA LEU 16 HA LEU 16 1.833 5.037 2.799 140 HB2 LEU 16 2HB LEU 16 2.338 2.767 1.121 141 HB3 LEU 16 1HB LEU 16 2.893 4.229 0.312 142 HG LEU 16 HG LEU 16 4.186 4.851 2.331 143 HD11 LEU 16 1HD1 LEU 16 2.778 2.448 3.411 144 HD12 LEU 16 2HD1 LEU 16 3.228 3.947 4.223 145 HD13 LEU 16 3HD1 LEU 16 4.443 2.705 3.931 146 HD21 LEU 16 1HD2 LEU 16 5.925 3.149 2.102 147 HD22 LEU 16 2HD2 LEU 16 5.205 3.455 0.522 148 HD23 LEU 16 3HD2 LEU 16 4.760 2.010 1.429 149 H ALA 17 H ALA 17 -0.005 4.189 -0.096 150 HA ALA 17 HA ALA 17 0.552 6.416 -1.663 151 HB1 ALA 17 1HB ALA 17 -2.099 4.986 -1.373 152 HB2 ALA 17 2HB ALA 17 -0.809 4.580 -2.506 153 HB3 ALA 17 3HB ALA 17 -1.689 6.097 -2.679 154 H LYS 18 H LYS 18 -1.435 6.191 1.193 155 HA LYS 18 HA LYS 18 -2.625 8.793 0.812 156 HB2 LYS 18 2HB LYS 18 -4.075 7.894 2.284 157 HB3 LYS 18 1HB LYS 18 -2.985 6.552 2.603 158 HG2 LYS 18 2HG LYS 18 -2.499 9.235 3.897 159 HG3 LYS 18 1HG LYS 18 -3.679 8.118 4.574 160 HD2 LYS 18 2HD LYS 18 -2.073 6.480 5.044 161 HD3 LYS 18 1HD LYS 18 -0.918 7.144 3.893 162 HE2 LYS 18 2HE LYS 18 -0.170 7.683 6.146 163 HE3 LYS 18 1HE LYS 18 -0.703 9.168 5.361 164 HZ1 LYS 18 1HZ LYS 18 -1.562 8.913 7.637 165 HZ2 LYS 18 2HZ LYS 18 -2.394 7.512 7.152 166 HZ3 LYS 18 3HZ LYS 18 -2.799 9.019 6.482 167 H GLN 19 H GLN 19 0.234 7.439 2.308 168 HA GLN 19 HA GLN 19 0.923 9.764 3.833 169 HB2 GLN 19 2HB GLN 19 1.899 7.467 4.189 170 HB3 GLN 19 1HB GLN 19 2.787 7.667 2.674 171 HG2 GLN 19 2HG GLN 19 3.163 10.008 4.336 172 HG3 GLN 19 1HG GLN 19 3.557 8.557 5.264 173 HE21 GLN 19 1HE2 GLN 19 5.309 10.732 3.918 174 HE22 GLN 19 2HE2 GLN 19 6.435 9.820 3.004 175 H GLN 20 H GLN 20 1.309 8.660 0.566 176 HA GLN 20 HA GLN 20 3.164 10.675 -0.280 177 HB2 GLN 20 2HB GLN 20 2.590 8.357 -1.364 178 HB3 GLN 20 1HB GLN 20 1.280 9.249 -2.134 179 HG2 GLN 20 2HG GLN 20 2.958 10.915 -2.944 180 HG3 GLN 20 1HG GLN 20 4.214 9.868 -2.304 181 HE21 GLN 20 1HE2 GLN 20 4.732 7.923 -3.464 182 HE22 GLN 20 2HE2 GLN 20 4.026 7.553 -4.981 183 H LEU 21 H LEU 21 -0.352 10.272 -0.278 184 HA LEU 21 HA LEU 21 -0.964 12.558 -1.847 185 HB2 LEU 21 2HB LEU 21 -2.456 10.541 -1.085 186 HB3 LEU 21 1HB LEU 21 -2.777 11.550 0.328 187 HG LEU 21 HG LEU 21 -3.355 13.424 -1.318 188 HD11 LEU 21 1HD1 LEU 21 -3.015 11.091 -3.185 189 HD12 LEU 21 2HD1 LEU 21 -2.553 12.776 -3.411 190 HD13 LEU 21 3HD1 LEU 21 -4.244 12.302 -3.539 191 HD21 LEU 21 1HD2 LEU 21 -5.634 12.453 -1.747 192 HD22 LEU 21 2HD2 LEU 21 -5.089 12.256 -0.082 193 HD23 LEU 21 3HD2 LEU 21 -5.022 10.893 -1.198 194 H ALA 22 H ALA 22 -1.115 12.062 1.680 195 HA ALA 22 HA ALA 22 -1.813 14.561 2.535 196 HB1 ALA 22 1HB ALA 22 0.386 12.923 3.812 197 HB2 ALA 22 2HB ALA 22 -1.333 12.572 3.992 198 HB3 ALA 22 3HB ALA 22 -0.674 14.089 4.605 199 H LYS 23 H LYS 23 1.523 13.482 1.873 200 HA LYS 23 HA LYS 23 2.749 15.974 2.338 201 HB2 LYS 23 2HB LYS 23 4.025 13.892 2.267 202 HB3 LYS 23 1HB LYS 23 3.630 13.686 0.562 203 HG2 LYS 23 2HG LYS 23 4.814 16.315 1.204 204 HG3 LYS 23 1HG LYS 23 5.892 14.953 1.503 205 HD2 LYS 23 2HD LYS 23 5.695 14.184 -0.762 206 HD3 LYS 23 1HD LYS 23 4.370 15.308 -1.092 207 HE2 LYS 23 2HE LYS 23 6.772 15.942 -1.893 208 HE3 LYS 23 1HE LYS 23 5.791 17.177 -1.104 209 HZ1 LYS 23 1HZ LYS 23 7.038 17.108 0.775 210 HZ2 LYS 23 2HZ LYS 23 8.240 16.668 -0.342 211 HZ3 LYS 23 3HZ LYS 23 7.463 15.476 0.586 212 H LEU 24 H LEU 24 1.844 14.400 -0.736 213 HA LEU 24 HA LEU 24 2.542 16.517 -2.428 214 HB2 LEU 24 2HB LEU 24 1.769 14.044 -2.920 215 HB3 LEU 24 1HB LEU 24 0.189 14.814 -3.070 216 HG LEU 24 HG LEU 24 1.517 16.537 -4.583 217 HD11 LEU 24 1HD1 LEU 24 3.411 15.640 -5.710 218 HD12 LEU 24 2HD1 LEU 24 3.117 14.020 -5.079 219 HD13 LEU 24 3HD1 LEU 24 3.696 15.293 -4.004 220 HD21 LEU 24 1HD2 LEU 24 -0.293 15.267 -5.495 221 HD22 LEU 24 2HD2 LEU 24 0.608 13.757 -5.361 222 HD23 LEU 24 3HD2 LEU 24 1.084 14.964 -6.555 223 HN1 NH2 25 1H LEU 24 -0.090 16.327 -0.198 224 HN2 NH2 25 2H LEU 24 -0.948 17.673 -0.776 Start of MODEL 9 1 H ILE 1 H ILE 1 3.214 -17.521 -2.347 2 HA ILE 1 HA ILE 1 0.751 -16.678 -1.183 3 HB ILE 1 HB ILE 1 1.683 -15.984 1.086 4 HG12 ILE 1 2HG1 ILE 1 3.715 -18.154 0.501 5 HG13 ILE 1 1HG1 ILE 1 4.083 -16.435 0.351 6 HG21 ILE 1 1HG2 ILE 1 0.092 -17.826 0.874 7 HG22 ILE 1 2HG2 ILE 1 1.322 -18.252 2.063 8 HG23 ILE 1 3HG2 ILE 1 1.393 -18.934 0.438 9 HD11 ILE 1 1HD1 ILE 1 3.067 -17.787 2.869 10 HD12 ILE 1 2HD1 ILE 1 3.490 -16.082 2.708 11 HD13 ILE 1 3HD1 ILE 1 4.741 -17.318 2.573 12 H TRP 2 H TRP 2 3.373 -16.194 -2.884 13 HA TRP 2 HA TRP 2 4.357 -13.656 -2.109 14 HB2 TRP 2 2HB TRP 2 5.716 -13.848 -3.924 15 HB3 TRP 2 1HB TRP 2 5.109 -15.513 -3.954 16 HD1 TRP 2 HD TRP 2 3.862 -16.236 -6.068 17 HE1 TRP 2 1HE TRP 2 2.937 -15.027 -8.153 18 HE3 TRP 2 3HE TRP 2 4.585 -11.387 -4.671 19 HZ2 TRP 2 2HZ TRP 2 2.558 -12.382 -9.097 20 HZ3 TRP 2 3HZ TRP 2 3.934 -9.531 -6.189 21 HH2 TRP 2 HH TRP 2 2.919 -10.022 -8.400 22 H LEU 3 H LEU 3 1.930 -14.601 -4.497 23 HA LEU 3 HA LEU 3 1.274 -11.991 -5.317 24 HB2 LEU 3 2HB LEU 3 -1.083 -13.323 -5.701 25 HB3 LEU 3 1HB LEU 3 0.286 -13.404 -6.796 26 HG LEU 3 HG LEU 3 1.095 -15.424 -5.694 27 HD11 LEU 3 1HD1 LEU 3 -1.176 -14.750 -3.859 28 HD12 LEU 3 2HD1 LEU 3 0.453 -15.301 -3.466 29 HD13 LEU 3 3HD1 LEU 3 -0.734 -16.440 -4.093 30 HD21 LEU 3 1HD2 LEU 3 -0.692 -16.904 -6.450 31 HD22 LEU 3 2HD2 LEU 3 -0.577 -15.533 -7.555 32 HD23 LEU 3 3HD2 LEU 3 -1.862 -15.588 -6.348 33 H THR 4 H THR 4 0.339 -13.901 -2.566 34 HA THR 4 HA THR 4 -1.867 -12.285 -1.745 35 HB THR 4 HB THR 4 -0.219 -13.874 0.142 36 HG1 THR 4 1HG THR 4 -0.792 -14.945 -1.949 37 HG21 THR 4 1HG2 THR 4 -3.160 -13.251 -0.120 38 HG22 THR 4 2HG2 THR 4 -2.056 -12.664 1.124 39 HG23 THR 4 3HG2 THR 4 -2.499 -14.369 1.072 40 H ALA 5 H ALA 5 1.438 -12.624 -0.636 41 HA ALA 5 HA ALA 5 1.527 -10.579 1.248 42 HB1 ALA 5 1HB ALA 5 3.754 -11.261 -0.690 43 HB2 ALA 5 2HB ALA 5 3.373 -12.214 0.745 44 HB3 ALA 5 3HB ALA 5 3.922 -10.546 0.914 45 H LEU 6 H LEU 6 1.693 -10.426 -2.258 46 HA LEU 6 HA LEU 6 2.488 -7.739 -2.500 47 HB2 LEU 6 2HB LEU 6 2.520 -9.346 -4.376 48 HB3 LEU 6 1HB LEU 6 0.759 -9.407 -4.351 49 HG LEU 6 HG LEU 6 1.833 -7.891 -6.111 50 HD11 LEU 6 1HD1 LEU 6 0.153 -6.001 -4.660 51 HD12 LEU 6 2HD1 LEU 6 -0.542 -7.620 -4.667 52 HD13 LEU 6 3HD1 LEU 6 -0.141 -6.826 -6.186 53 HD21 LEU 6 1HD2 LEU 6 2.778 -5.822 -5.485 54 HD22 LEU 6 2HD2 LEU 6 3.501 -6.973 -4.364 55 HD23 LEU 6 3HD2 LEU 6 2.172 -5.939 -3.836 56 H LYS 7 H LYS 7 -0.541 -9.213 -1.704 57 HA LYS 7 HA LYS 7 -2.075 -6.833 -2.193 58 HB2 LYS 7 2HB LYS 7 -3.796 -8.291 -2.005 59 HB3 LYS 7 1HB LYS 7 -2.651 -9.562 -1.593 60 HG2 LYS 7 2HG LYS 7 -3.610 -7.632 0.526 61 HG3 LYS 7 1HG LYS 7 -4.583 -9.025 0.071 62 HD2 LYS 7 2HD LYS 7 -2.706 -10.524 0.564 63 HD3 LYS 7 1HD LYS 7 -1.704 -9.161 0.993 64 HE2 LYS 7 2HE LYS 7 -2.483 -9.873 3.084 65 HE3 LYS 7 1HE LYS 7 -3.622 -8.590 2.677 66 HZ1 LYS 7 1HZ LYS 7 -4.877 -10.579 1.554 67 HZ2 LYS 7 2HZ LYS 7 -5.055 -10.257 3.213 68 HZ3 LYS 7 3HZ LYS 7 -4.011 -11.492 2.691 69 H PHE 8 H PHE 8 -0.593 -8.422 0.551 70 HA PHE 8 HA PHE 8 -1.378 -6.487 2.483 71 HB2 PHE 8 2HB PHE 8 -0.330 -8.807 2.900 72 HB3 PHE 8 1HB PHE 8 1.218 -8.037 2.556 73 HD1 PHE 8 1HD PHE 8 0.629 -5.367 3.643 74 HD2 PHE 8 2HD PHE 8 -0.127 -9.245 5.253 75 HE1 PHE 8 1HE PHE 8 0.712 -4.409 5.941 76 HE2 PHE 8 2HE PHE 8 -0.050 -8.318 7.556 77 HZ PHE 8 HZ PHE 8 0.370 -5.895 7.901 78 H LEU 9 H LEU 9 1.597 -6.995 0.643 79 HA LEU 9 HA LEU 9 2.935 -4.631 1.279 80 HB2 LEU 9 2HB LEU 9 3.420 -6.762 -0.414 81 HB3 LEU 9 1HB LEU 9 3.161 -5.422 -1.526 82 HG LEU 9 HG LEU 9 5.520 -5.516 -0.986 83 HD11 LEU 9 1HD1 LEU 9 5.791 -3.262 -0.577 84 HD12 LEU 9 2HD1 LEU 9 4.611 -3.241 0.732 85 HD13 LEU 9 3HD1 LEU 9 4.069 -3.280 -0.946 86 HD21 LEU 9 1HD2 LEU 9 4.799 -6.563 1.411 87 HD22 LEU 9 2HD2 LEU 9 5.103 -4.896 1.901 88 HD23 LEU 9 3HD2 LEU 9 6.377 -5.831 1.122 89 H GLY 10 H GLY 10 0.316 -5.382 -0.990 90 HA2 GLY 10 2HA GLY 10 0.288 -2.810 -2.210 91 HA3 GLY 10 1HA GLY 10 -1.070 -3.894 -2.156 92 H LYS 11 H LYS 11 -1.311 -4.266 0.637 93 HA LYS 11 HA LYS 11 -2.858 -2.082 1.447 94 HB2 LYS 11 2HB LYS 11 -2.025 -4.547 2.579 95 HB3 LYS 11 1HB LYS 11 -1.634 -3.297 3.750 96 HG2 LYS 11 2HG LYS 11 -3.907 -4.120 4.133 97 HG3 LYS 11 1HG LYS 11 -3.967 -2.448 3.577 98 HD2 LYS 11 2HD LYS 11 -4.990 -3.003 1.612 99 HD3 LYS 11 1HD LYS 11 -4.014 -4.457 1.402 100 HE2 LYS 11 2HE LYS 11 -5.408 -5.720 2.875 101 HE3 LYS 11 1HE LYS 11 -6.223 -4.271 3.462 102 HZ1 LYS 11 1HZ LYS 11 -6.579 -5.717 0.949 103 HZ2 LYS 11 2HZ LYS 11 -6.756 -4.028 0.911 104 HZ3 LYS 11 3HZ LYS 11 -7.733 -4.965 1.938 105 H ASN 12 H ASN 12 0.432 -2.977 2.008 106 HA ASN 12 HA ASN 12 1.290 -0.695 3.458 107 HB2 ASN 12 2HB ASN 12 2.402 -3.083 2.129 108 HB3 ASN 12 1HB ASN 12 3.525 -1.754 2.262 109 HD21 ASN 12 1HD2 ASN 12 2.124 -4.335 3.852 110 HD22 ASN 12 2HD2 ASN 12 2.641 -3.972 5.425 111 H LEU 13 H LEU 13 0.938 -1.558 0.097 112 HA LEU 13 HA LEU 13 2.459 0.531 -1.074 113 HB2 LEU 13 2HB LEU 13 1.710 -1.614 -2.167 114 HB3 LEU 13 1HB LEU 13 0.106 -0.906 -2.287 115 HG LEU 13 HG LEU 13 1.206 1.074 -3.471 116 HD11 LEU 13 1HD1 LEU 13 3.498 0.931 -3.058 117 HD12 LEU 13 2HD1 LEU 13 3.397 0.208 -4.661 118 HD13 LEU 13 3HD1 LEU 13 3.529 -0.822 -3.238 119 HD21 LEU 13 1HD2 LEU 13 -0.076 -0.718 -4.631 120 HD22 LEU 13 2HD2 LEU 13 1.415 -1.644 -4.808 121 HD23 LEU 13 3HD2 LEU 13 1.237 -0.092 -5.628 122 H GLY 14 H GLY 14 -1.032 0.099 -0.680 123 HA2 GLY 14 2HA GLY 14 -1.665 2.733 -1.597 124 HA3 GLY 14 1HA GLY 14 -2.763 1.636 -0.780 125 H LYS 15 H LYS 15 -1.408 1.249 1.650 126 HA LYS 15 HA LYS 15 -2.268 3.371 3.209 127 HB2 LYS 15 2HB LYS 15 -1.574 1.318 4.284 128 HB3 LYS 15 1HB LYS 15 0.067 1.481 3.642 129 HG2 LYS 15 2HG LYS 15 -0.854 3.819 5.202 130 HG3 LYS 15 1HG LYS 15 -0.727 2.334 6.142 131 HD2 LYS 15 2HD LYS 15 1.580 2.053 5.558 132 HD3 LYS 15 1HD LYS 15 1.490 3.320 4.333 133 HE2 LYS 15 2HE LYS 15 2.512 3.883 6.682 134 HE3 LYS 15 1HE LYS 15 1.416 5.035 5.921 135 HZ1 LYS 15 1HZ LYS 15 -0.359 4.322 7.253 136 HZ2 LYS 15 2HZ LYS 15 0.957 4.465 8.318 137 HZ3 LYS 15 3HZ LYS 15 0.464 2.933 7.774 138 H LEU 16 H LEU 16 0.523 2.894 1.286 139 HA LEU 16 HA LEU 16 1.971 5.235 2.126 140 HB2 LEU 16 2HB LEU 16 2.397 2.929 0.477 141 HB3 LEU 16 1HB LEU 16 2.816 4.380 -0.428 142 HG LEU 16 HG LEU 16 4.272 5.116 1.438 143 HD11 LEU 16 1HD1 LEU 16 3.055 2.715 2.720 144 HD12 LEU 16 2HD1 LEU 16 3.560 4.242 3.442 145 HD13 LEU 16 3HD1 LEU 16 4.760 3.011 3.055 146 HD21 LEU 16 1HD2 LEU 16 6.038 3.433 1.114 147 HD22 LEU 16 2HD2 LEU 16 5.198 3.739 -0.407 148 HD23 LEU 16 3HD2 LEU 16 4.844 2.280 0.518 149 H ALA 17 H ALA 17 -0.107 4.245 -0.543 150 HA ALA 17 HA ALA 17 0.222 6.418 -2.233 151 HB1 ALA 17 1HB ALA 17 -1.173 4.547 -2.887 152 HB2 ALA 17 2HB ALA 17 -2.126 6.027 -2.976 153 HB3 ALA 17 3HB ALA 17 -2.335 4.926 -1.615 154 H LYS 18 H LYS 18 -1.992 6.183 0.534 155 HA LYS 18 HA LYS 18 -2.837 8.922 0.207 156 HB2 LYS 18 2HB LYS 18 -4.047 8.628 2.293 157 HB3 LYS 18 1HB LYS 18 -4.309 7.225 1.258 158 HG2 LYS 18 2HG LYS 18 -2.055 6.490 2.675 159 HG3 LYS 18 1HG LYS 18 -2.970 7.398 3.877 160 HD2 LYS 18 2HD LYS 18 -5.002 5.980 3.048 161 HD3 LYS 18 1HD LYS 18 -3.767 4.911 2.379 162 HE2 LYS 18 2HE LYS 18 -4.091 4.004 4.514 163 HE3 LYS 18 1HE LYS 18 -2.717 5.076 4.781 164 HZ1 LYS 18 1HZ LYS 18 -4.732 6.756 5.180 165 HZ2 LYS 18 2HZ LYS 18 -4.021 5.843 6.425 166 HZ3 LYS 18 3HZ LYS 18 -5.462 5.313 5.697 167 H GLN 19 H GLN 19 -0.243 7.242 1.866 168 HA GLN 19 HA GLN 19 0.397 9.357 3.683 169 HB2 GLN 19 2HB GLN 19 1.263 6.930 3.724 170 HB3 GLN 19 1HB GLN 19 2.393 7.443 2.464 171 HG2 GLN 19 2HG GLN 19 2.205 9.176 4.895 172 HG3 GLN 19 1HG GLN 19 2.995 7.608 5.083 173 HE21 GLN 19 1HE2 GLN 19 5.012 7.245 3.947 174 HE22 GLN 19 2HE2 GLN 19 5.858 8.530 3.194 175 H GLN 20 H GLN 20 0.951 8.639 0.349 176 HA GLN 20 HA GLN 20 2.981 10.599 -0.151 177 HB2 GLN 20 2HB GLN 20 2.120 8.453 -1.537 178 HB3 GLN 20 1HB GLN 20 1.155 9.697 -2.330 179 HG2 GLN 20 2HG GLN 20 3.421 11.012 -2.437 180 HG3 GLN 20 1HG GLN 20 4.122 9.416 -2.219 181 HE21 GLN 20 1HE2 GLN 20 4.880 8.929 -4.315 182 HE22 GLN 20 2HE2 GLN 20 3.879 8.929 -5.704 183 H LEU 21 H LEU 21 -0.531 10.421 -0.632 184 HA LEU 21 HA LEU 21 -0.887 12.955 -1.802 185 HB2 LEU 21 2HB LEU 21 -2.539 10.948 -1.494 186 HB3 LEU 21 1HB LEU 21 -2.936 11.740 0.033 187 HG LEU 21 HG LEU 21 -3.274 13.882 -1.332 188 HD11 LEU 21 1HD1 LEU 21 -2.890 11.852 -3.518 189 HD12 LEU 21 2HD1 LEU 21 -2.320 13.517 -3.430 190 HD13 LEU 21 3HD1 LEU 21 -4.016 13.184 -3.767 191 HD21 LEU 21 1HD2 LEU 21 -5.067 11.472 -1.748 192 HD22 LEU 21 2HD2 LEU 21 -5.551 13.133 -2.091 193 HD23 LEU 21 3HD2 LEU 21 -5.165 12.649 -0.439 194 H ALA 22 H ALA 22 -1.368 11.942 1.577 195 HA ALA 22 HA ALA 22 -2.029 14.308 2.767 196 HB1 ALA 22 1HB ALA 22 -0.060 12.281 3.855 197 HB2 ALA 22 2HB ALA 22 -1.815 12.184 3.993 198 HB3 ALA 22 3HB ALA 22 -0.937 13.479 4.807 199 H LYS 23 H LYS 23 1.351 13.166 2.525 200 HA LYS 23 HA LYS 23 2.502 15.623 3.285 201 HB2 LYS 23 2HB LYS 23 3.684 13.437 3.338 202 HB3 LYS 23 1HB LYS 23 3.727 13.444 1.575 203 HG2 LYS 23 2HG LYS 23 4.738 15.931 2.826 204 HG3 LYS 23 1HG LYS 23 5.699 14.498 3.180 205 HD2 LYS 23 2HD LYS 23 5.869 14.004 0.768 206 HD3 LYS 23 1HD LYS 23 4.906 15.444 0.407 207 HE2 LYS 23 2HE LYS 23 6.650 16.805 1.630 208 HE3 LYS 23 1HE LYS 23 7.641 15.349 1.709 209 HZ1 LYS 23 1HZ LYS 23 6.609 15.885 -0.916 210 HZ2 LYS 23 2HZ LYS 23 8.195 15.526 -0.426 211 HZ3 LYS 23 3HZ LYS 23 7.616 17.121 -0.337 212 H LEU 24 H LEU 24 2.478 14.134 0.038 213 HA LEU 24 HA LEU 24 3.364 16.362 -1.373 214 HB2 LEU 24 2HB LEU 24 3.003 13.919 -2.153 215 HB3 LEU 24 1HB LEU 24 1.368 14.464 -2.529 216 HG LEU 24 HG LEU 24 2.535 16.420 -3.785 217 HD11 LEU 24 1HD1 LEU 24 4.793 14.444 -3.407 218 HD12 LEU 24 2HD1 LEU 24 4.803 16.180 -3.104 219 HD13 LEU 24 3HD1 LEU 24 4.762 15.575 -4.758 220 HD21 LEU 24 1HD2 LEU 24 2.689 15.049 -5.823 221 HD22 LEU 24 2HD2 LEU 24 1.281 14.577 -4.870 222 HD23 LEU 24 3HD2 LEU 24 2.738 13.583 -4.843 223 HN1 NH2 25 1H LEU 24 0.361 16.003 0.233 224 HN2 NH2 25 2H LEU 24 -0.451 17.282 -0.532 Start of MODEL 10 1 H ILE 1 H ILE 1 1.635 -17.561 -2.684 2 HA ILE 1 HA ILE 1 -0.062 -16.533 -0.638 3 HB ILE 1 HB ILE 1 1.138 -18.428 0.626 4 HG12 ILE 1 2HG1 ILE 1 1.751 -16.680 2.540 5 HG13 ILE 1 1HG1 ILE 1 0.964 -15.544 1.445 6 HG21 ILE 1 1HG2 ILE 1 3.424 -16.453 0.675 7 HG22 ILE 1 2HG2 ILE 1 3.373 -17.792 -0.472 8 HG23 ILE 1 3HG2 ILE 1 3.406 -18.116 1.261 9 HD11 ILE 1 1HD1 ILE 1 -0.802 -16.316 2.809 10 HD12 ILE 1 2HD1 ILE 1 -0.207 -17.976 2.791 11 HD13 ILE 1 3HD1 ILE 1 -0.954 -17.292 1.348 12 H TRP 2 H TRP 2 2.750 -16.560 -2.567 13 HA TRP 2 HA TRP 2 3.971 -14.150 -1.704 14 HB2 TRP 2 2HB TRP 2 5.475 -14.549 -3.364 15 HB3 TRP 2 1HB TRP 2 4.668 -16.125 -3.450 16 HD1 TRP 2 HD TRP 2 3.574 -16.726 -5.685 17 HE1 TRP 2 1HE TRP 2 3.024 -15.443 -7.859 18 HE3 TRP 2 3HE TRP 2 4.737 -11.978 -4.233 19 HZ2 TRP 2 2HZ TRP 2 3.070 -12.787 -8.842 20 HZ3 TRP 2 3HZ TRP 2 4.477 -10.081 -5.813 21 HH2 TRP 2 HH TRP 2 3.643 -10.478 -8.116 22 H LEU 3 H LEU 3 1.714 -14.838 -4.339 23 HA LEU 3 HA LEU 3 1.473 -12.178 -5.231 24 HB2 LEU 3 2HB LEU 3 -0.963 -13.218 -5.891 25 HB3 LEU 3 1HB LEU 3 0.506 -13.498 -6.810 26 HG LEU 3 HG LEU 3 0.910 -15.578 -5.608 27 HD11 LEU 3 1HD1 LEU 3 -1.206 -16.315 -4.224 28 HD12 LEU 3 2HD1 LEU 3 -1.447 -14.577 -4.056 29 HD13 LEU 3 3HD1 LEU 3 0.040 -15.325 -3.472 30 HD21 LEU 3 1HD2 LEU 3 -0.973 -16.834 -6.541 31 HD22 LEU 3 2HD2 LEU 3 -0.523 -15.538 -7.650 32 HD23 LEU 3 3HD2 LEU 3 -1.942 -15.363 -6.618 33 H THR 4 H THR 4 0.053 -13.909 -2.584 34 HA THR 4 HA THR 4 -2.053 -12.071 -2.020 35 HB THR 4 HB THR 4 -0.756 -13.763 0.044 36 HG1 THR 4 1HG THR 4 -1.231 -14.827 -2.068 37 HG21 THR 4 1HG2 THR 4 -2.533 -12.375 0.858 38 HG22 THR 4 2HG2 THR 4 -3.168 -14.015 0.741 39 HG23 THR 4 3HG2 THR 4 -3.572 -12.825 -0.496 40 H ALA 5 H ALA 5 1.090 -12.683 -0.614 41 HA ALA 5 HA ALA 5 1.207 -10.646 1.269 42 HB1 ALA 5 1HB ALA 5 3.686 -10.731 0.929 43 HB2 ALA 5 2HB ALA 5 3.418 -11.750 -0.486 44 HB3 ALA 5 3HB ALA 5 2.954 -12.326 1.115 45 H LEU 6 H LEU 6 1.686 -10.489 -2.225 46 HA LEU 6 HA LEU 6 2.725 -7.876 -2.339 47 HB2 LEU 6 2HB LEU 6 2.917 -9.333 -4.238 48 HB3 LEU 6 1HB LEU 6 1.164 -9.544 -4.314 49 HG LEU 6 HG LEU 6 0.895 -7.162 -4.869 50 HD11 LEU 6 1HD1 LEU 6 3.107 -5.965 -5.507 51 HD12 LEU 6 2HD1 LEU 6 3.892 -7.172 -4.488 52 HD13 LEU 6 3HD1 LEU 6 2.702 -6.071 -3.794 53 HD21 LEU 6 1HD2 LEU 6 1.337 -8.952 -6.603 54 HD22 LEU 6 2HD2 LEU 6 3.020 -8.424 -6.610 55 HD23 LEU 6 3HD2 LEU 6 1.745 -7.313 -7.110 56 H LYS 7 H LYS 7 -0.478 -9.113 -1.876 57 HA LYS 7 HA LYS 7 -1.763 -6.623 -2.524 58 HB2 LYS 7 2HB LYS 7 -3.595 -7.949 -2.545 59 HB3 LYS 7 1HB LYS 7 -2.608 -9.300 -1.997 60 HG2 LYS 7 2HG LYS 7 -3.657 -7.275 -0.012 61 HG3 LYS 7 1HG LYS 7 -4.675 -8.596 -0.573 62 HD2 LYS 7 2HD LYS 7 -2.995 -10.229 0.145 63 HD3 LYS 7 1HD LYS 7 -1.940 -8.942 0.677 64 HE2 LYS 7 2HE LYS 7 -3.535 -8.233 2.358 65 HE3 LYS 7 1HE LYS 7 -4.733 -9.377 1.753 66 HZ1 LYS 7 1HZ LYS 7 -2.120 -10.427 2.533 67 HZ2 LYS 7 2HZ LYS 7 -3.659 -11.137 2.662 68 HZ3 LYS 7 3HZ LYS 7 -3.172 -9.949 3.775 69 H PHE 8 H PHE 8 -0.711 -8.323 0.347 70 HA PHE 8 HA PHE 8 -1.558 -6.352 2.211 71 HB2 PHE 8 2HB PHE 8 -0.713 -8.738 2.702 72 HB3 PHE 8 1HB PHE 8 0.910 -8.071 2.527 73 HD1 PHE 8 1HD PHE 8 0.347 -5.366 3.579 74 HD2 PHE 8 2HD PHE 8 -0.735 -9.215 5.065 75 HE1 PHE 8 1HE PHE 8 0.259 -4.429 5.886 76 HE2 PHE 8 2HE PHE 8 -0.831 -8.311 7.376 77 HZ PHE 8 HZ PHE 8 -0.334 -5.913 7.787 78 H LEU 9 H LEU 9 1.559 -7.046 0.696 79 HA LEU 9 HA LEU 9 2.963 -4.766 1.490 80 HB2 LEU 9 2HB LEU 9 3.502 -6.935 -0.142 81 HB3 LEU 9 1HB LEU 9 3.463 -5.583 -1.270 82 HG LEU 9 HG LEU 9 5.731 -5.832 -0.457 83 HD11 LEU 9 1HD1 LEU 9 4.433 -3.505 -0.573 84 HD12 LEU 9 2HD1 LEU 9 6.101 -3.600 -0.011 85 HD13 LEU 9 3HD1 LEU 9 4.785 -3.498 1.156 86 HD21 LEU 9 1HD2 LEU 9 6.314 -6.192 1.737 87 HD22 LEU 9 2HD2 LEU 9 4.673 -6.827 1.830 88 HD23 LEU 9 3HD2 LEU 9 5.014 -5.181 2.365 89 H GLY 10 H GLY 10 0.578 -5.366 -1.058 90 HA2 GLY 10 2HA GLY 10 0.851 -2.795 -2.258 91 HA3 GLY 10 1HA GLY 10 -0.552 -3.810 -2.398 92 H LYS 11 H LYS 11 -1.115 -4.171 0.379 93 HA LYS 11 HA LYS 11 -2.663 -1.904 0.973 94 HB2 LYS 11 2HB LYS 11 -2.099 -4.412 2.213 95 HB3 LYS 11 1HB LYS 11 -1.891 -3.156 3.423 96 HG2 LYS 11 2HG LYS 11 -4.214 -3.926 3.416 97 HG3 LYS 11 1HG LYS 11 -4.138 -2.261 2.838 98 HD2 LYS 11 2HD LYS 11 -4.745 -2.828 0.696 99 HD3 LYS 11 1HD LYS 11 -3.891 -4.371 0.751 100 HE2 LYS 11 2HE LYS 11 -6.495 -4.397 0.717 101 HE3 LYS 11 1HE LYS 11 -5.663 -5.451 1.859 102 HZ1 LYS 11 1HZ LYS 11 -6.492 -2.715 2.602 103 HZ2 LYS 11 2HZ LYS 11 -6.102 -4.017 3.621 104 HZ3 LYS 11 3HZ LYS 11 -7.556 -4.028 2.741 105 H ASN 12 H ASN 12 0.479 -2.983 1.901 106 HA ASN 12 HA ASN 12 1.272 -0.768 3.495 107 HB2 ASN 12 2HB ASN 12 2.423 -3.189 2.253 108 HB3 ASN 12 1HB ASN 12 3.578 -1.923 2.575 109 HD21 ASN 12 1HD2 ASN 12 1.896 -4.485 3.880 110 HD22 ASN 12 2HD2 ASN 12 2.200 -4.183 5.518 111 H LEU 13 H LEU 13 1.268 -1.586 0.108 112 HA LEU 13 HA LEU 13 3.009 0.447 -0.849 113 HB2 LEU 13 2HB LEU 13 2.314 -1.672 -2.040 114 HB3 LEU 13 1HB LEU 13 0.775 -0.886 -2.364 115 HG LEU 13 HG LEU 13 2.127 1.047 -3.363 116 HD11 LEU 13 1HD1 LEU 13 4.285 -1.003 -2.901 117 HD12 LEU 13 2HD1 LEU 13 4.334 0.741 -2.645 118 HD13 LEU 13 3HD1 LEU 13 4.396 0.089 -4.280 119 HD21 LEU 13 1HD2 LEU 13 2.548 -0.263 -5.502 120 HD22 LEU 13 2HD2 LEU 13 0.928 -0.439 -4.825 121 HD23 LEU 13 3HD2 LEU 13 2.121 -1.718 -4.601 122 H GLY 14 H GLY 14 -0.518 0.135 -0.886 123 HA2 GLY 14 2HA GLY 14 -0.925 2.813 -1.826 124 HA3 GLY 14 1HA GLY 14 -2.167 1.733 -1.216 125 H LYS 15 H LYS 15 -1.167 1.222 1.369 126 HA LYS 15 HA LYS 15 -2.181 3.326 2.866 127 HB2 LYS 15 2HB LYS 15 -1.668 1.165 3.900 128 HB3 LYS 15 1HB LYS 15 0.058 1.403 3.598 129 HG2 LYS 15 2HG LYS 15 -1.223 3.627 5.067 130 HG3 LYS 15 1HG LYS 15 -1.230 2.093 5.936 131 HD2 LYS 15 2HD LYS 15 1.173 1.887 5.726 132 HD3 LYS 15 1HD LYS 15 1.246 3.297 4.670 133 HE2 LYS 15 2HE LYS 15 0.529 4.757 6.466 134 HE3 LYS 15 1HE LYS 15 0.232 3.378 7.524 135 HZ1 LYS 15 1HZ LYS 15 2.580 2.843 7.442 136 HZ2 LYS 15 2HZ LYS 15 2.355 4.431 8.003 137 HZ3 LYS 15 3HZ LYS 15 2.872 4.155 6.407 138 H LEU 16 H LEU 16 0.841 2.807 1.329 139 HA LEU 16 HA LEU 16 2.242 5.059 2.440 140 HB2 LEU 16 2HB LEU 16 2.794 2.829 0.716 141 HB3 LEU 16 1HB LEU 16 3.351 4.316 -0.048 142 HG LEU 16 HG LEU 16 4.624 4.896 1.979 143 HD11 LEU 16 1HD1 LEU 16 4.797 2.682 3.555 144 HD12 LEU 16 2HD1 LEU 16 3.108 2.580 3.060 145 HD13 LEU 16 3HD1 LEU 16 3.700 4.023 3.882 146 HD21 LEU 16 1HD2 LEU 16 5.777 3.588 0.279 147 HD22 LEU 16 2HD2 LEU 16 5.113 2.091 0.931 148 HD23 LEU 16 3HD2 LEU 16 6.284 3.018 1.869 149 H ALA 17 H ALA 17 0.501 4.248 -0.540 150 HA ALA 17 HA ALA 17 0.989 6.598 -1.976 151 HB1 ALA 17 1HB ALA 17 -0.227 4.688 -2.943 152 HB2 ALA 17 2HB ALA 17 -1.155 6.176 -3.122 153 HB3 ALA 17 3HB ALA 17 -1.593 5.012 -1.873 154 H LYS 18 H LYS 18 -1.013 6.009 0.791 155 HA LYS 18 HA LYS 18 -2.508 8.433 0.663 156 HB2 LYS 18 2HB LYS 18 -2.481 6.037 2.173 157 HB3 LYS 18 1HB LYS 18 -2.203 7.337 3.314 158 HG2 LYS 18 2HG LYS 18 -4.603 6.981 3.095 159 HG3 LYS 18 1HG LYS 18 -4.193 8.532 2.357 160 HD2 LYS 18 2HD LYS 18 -5.048 7.823 0.389 161 HD3 LYS 18 1HD LYS 18 -3.855 6.521 0.351 162 HE2 LYS 18 2HE LYS 18 -5.332 5.045 1.571 163 HE3 LYS 18 1HE LYS 18 -6.478 6.354 1.869 164 HZ1 LYS 18 1HZ LYS 18 -5.944 6.138 -0.896 165 HZ2 LYS 18 2HZ LYS 18 -7.425 5.980 -0.079 166 HZ3 LYS 18 3HZ LYS 18 -6.421 4.627 -0.294 167 H GLN 19 H GLN 19 0.400 7.293 2.389 168 HA GLN 19 HA GLN 19 0.895 9.627 3.875 169 HB2 GLN 19 2HB GLN 19 2.132 7.484 4.167 170 HB3 GLN 19 1HB GLN 19 2.941 7.771 2.620 171 HG2 GLN 19 2HG GLN 19 3.045 10.025 4.561 172 HG3 GLN 19 1HG GLN 19 3.953 8.581 5.015 173 HE21 GLN 19 1HE2 GLN 19 3.945 11.369 2.953 174 HE22 GLN 19 2HE2 GLN 19 5.365 10.981 2.077 175 H GLN 20 H GLN 20 1.424 8.749 0.550 176 HA GLN 20 HA GLN 20 3.033 11.011 -0.161 177 HB2 GLN 20 2HB GLN 20 2.774 8.731 -1.387 178 HB3 GLN 20 1HB GLN 20 1.323 9.443 -2.089 179 HG2 GLN 20 2HG GLN 20 2.654 10.406 -3.638 180 HG3 GLN 20 1HG GLN 20 3.300 11.412 -2.354 181 HE21 GLN 20 1HE2 GLN 20 4.936 10.666 -4.537 182 HE22 GLN 20 2HE2 GLN 20 6.143 9.587 -3.976 183 H LEU 21 H LEU 21 -0.402 10.213 -0.176 184 HA LEU 21 HA LEU 21 -1.273 12.503 -1.622 185 HB2 LEU 21 2HB LEU 21 -2.481 10.224 -0.951 186 HB3 LEU 21 1HB LEU 21 -3.042 11.201 0.408 187 HG LEU 21 HG LEU 21 -4.689 11.428 -1.323 188 HD11 LEU 21 1HD1 LEU 21 -4.721 13.785 -1.634 189 HD12 LEU 21 2HD1 LEU 21 -2.963 13.892 -1.620 190 HD13 LEU 21 3HD1 LEU 21 -3.836 13.527 -0.132 191 HD21 LEU 21 1HD2 LEU 21 -2.799 10.772 -3.109 192 HD22 LEU 21 2HD2 LEU 21 -2.749 12.522 -3.326 193 HD23 LEU 21 3HD2 LEU 21 -4.254 11.644 -3.584 194 H ALA 22 H ALA 22 -1.319 11.741 1.865 195 HA ALA 22 HA ALA 22 -2.344 14.086 2.867 196 HB1 ALA 22 1HB ALA 22 -0.903 13.652 4.884 197 HB2 ALA 22 2HB ALA 22 -0.120 12.360 3.974 198 HB3 ALA 22 3HB ALA 22 -1.840 12.257 4.349 199 H LYS 23 H LYS 23 1.116 13.415 2.287 200 HA LYS 23 HA LYS 23 2.076 15.966 2.935 201 HB2 LYS 23 2HB LYS 23 3.572 14.066 2.686 202 HB3 LYS 23 1HB LYS 23 3.162 13.926 0.978 203 HG2 LYS 23 2HG LYS 23 4.078 16.622 1.764 204 HG3 LYS 23 1HG LYS 23 5.299 15.367 1.967 205 HD2 LYS 23 2HD LYS 23 5.095 14.692 -0.345 206 HD3 LYS 23 1HD LYS 23 3.705 15.760 -0.583 207 HE2 LYS 23 2HE LYS 23 5.118 17.724 -0.164 208 HE3 LYS 23 1HE LYS 23 6.507 16.678 0.136 209 HZ1 LYS 23 1HZ LYS 23 5.432 17.568 -2.339 210 HZ2 LYS 23 2HZ LYS 23 5.495 15.871 -2.286 211 HZ3 LYS 23 3HZ LYS 23 6.904 16.784 -2.028 212 H LEU 24 H LEU 24 1.116 14.618 -0.218 213 HA LEU 24 HA LEU 24 1.635 16.980 -1.688 214 HB2 LEU 24 2HB LEU 24 1.274 14.509 -2.482 215 HB3 LEU 24 1HB LEU 24 -0.418 15.004 -2.553 216 HG LEU 24 HG LEU 24 0.564 17.093 -3.849 217 HD11 LEU 24 1HD1 LEU 24 2.925 16.483 -3.523 218 HD12 LEU 24 2HD1 LEU 24 2.514 16.442 -5.237 219 HD13 LEU 24 3HD1 LEU 24 2.647 14.938 -4.326 220 HD21 LEU 24 1HD2 LEU 24 -1.011 15.531 -4.844 221 HD22 LEU 24 2HD2 LEU 24 0.251 14.314 -5.025 222 HD23 LEU 24 3HD2 LEU 24 0.308 15.792 -5.985 223 HN1 NH2 25 1H LEU 24 0.275 18.043 0.432 224 HN2 NH2 25 2H LEU 24 -1.293 18.507 -0.025
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