NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5393 | 1hd9 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 2 H CYS 2 -1.909 -4.729 0.458 2 HA CYS 2 HA CYS 2 -0.266 -2.816 1.961 3 1HB CYS 2 1HB CYS 2 -0.869 -3.220 -0.926 4 2HB CYS 2 2HB CYS 2 -0.597 -1.569 -0.380 5 H THR 3 H THR 3 -1.004 -0.755 2.443 6 HA THR 3 HA THR 3 -3.873 -0.524 2.715 7 HB THR 3 HB THR 3 -3.469 1.191 4.233 8 HG1 THR 3 HG1 THR 3 -0.964 1.621 2.975 9 1HG2 THR 3 1HG2 THR 3 -1.632 -0.990 4.370 10 2HG2 THR 3 2HG2 THR 3 -0.866 0.475 4.983 11 3HG2 THR 3 3HG2 THR 3 -2.389 -0.080 5.678 12 H ALA 4 H ALA 4 -5.032 1.437 2.089 13 HA ALA 4 HA ALA 4 -4.493 2.114 -0.645 14 1HB ALA 4 1HB ALA 4 -6.749 2.061 0.978 15 2HB ALA 4 2HB ALA 4 -6.508 3.767 0.603 16 3HB ALA 4 3HB ALA 4 -6.665 2.591 -0.702 17 H SER 5 H SER 5 -2.281 2.965 0.384 18 HA SER 5 HA SER 5 -2.586 5.850 0.886 19 1HB SER 5 1HB SER 5 -0.303 5.740 1.861 20 2HB SER 5 2HB SER 5 -1.448 4.702 2.707 21 HG SER 5 HG SER 5 0.820 3.948 1.822 22 H ILE 6 H ILE 6 -0.910 7.253 -0.041 23 HA ILE 6 HA ILE 6 0.166 6.206 -2.574 24 HB ILE 6 HB ILE 6 -1.057 8.935 -2.162 25 1HG1 ILE 6 1HG1 ILE 6 -2.768 7.204 -2.270 26 2HG1 ILE 6 2HG1 ILE 6 -2.773 8.143 -3.760 27 1HG2 ILE 6 1HG2 ILE 6 0.804 7.942 -4.097 28 2HG2 ILE 6 2HG2 ILE 6 -0.718 8.350 -4.890 29 3HG2 ILE 6 3HG2 ILE 6 0.129 9.563 -3.929 30 1HD1 ILE 6 1HD1 ILE 6 -1.337 6.307 -4.748 31 2HD1 ILE 6 2HD1 ILE 6 -1.747 5.362 -3.317 32 3HD1 ILE 6 3HD1 ILE 6 -3.021 5.907 -4.410 33 HA PRO 7 HA PRO 7 1.833 5.693 -3.353 34 1HB PRO 7 1HB PRO 7 4.140 4.444 -2.695 35 2HB PRO 7 2HB PRO 7 4.087 5.816 -3.807 36 1HG PRO 7 1HG PRO 7 4.800 5.762 -0.900 37 2HG PRO 7 2HG PRO 7 5.592 6.627 -2.230 38 1HD PRO 7 1HD PRO 7 3.870 7.829 -0.508 39 2HD PRO 7 2HD PRO 7 4.055 8.338 -2.199 40 HA PRO 8 HA PRO 8 0.193 2.756 -0.488 41 1HB PRO 8 1HB PRO 8 0.246 0.512 -2.002 42 2HB PRO 8 2HB PRO 8 -0.893 1.832 -2.295 43 1HG PRO 8 1HG PRO 8 1.685 1.212 -3.685 44 2HG PRO 8 2HG PRO 8 0.132 1.708 -4.379 45 1HD PRO 8 1HD PRO 8 2.193 3.433 -4.000 46 2HD PRO 8 2HD PRO 8 0.493 3.934 -3.911 47 H GLN 9 H GLN 9 0.913 1.409 1.082 48 HA GLN 9 HA GLN 9 3.542 0.138 0.714 49 1HB GLN 9 1HB GLN 9 2.656 1.343 3.329 50 2HB GLN 9 2HB GLN 9 4.263 0.791 2.877 51 1HG GLN 9 1HG GLN 9 4.804 2.782 2.080 52 2HG GLN 9 2HG GLN 9 3.352 2.845 1.082 53 2HE2 GLN 9 2HE2 GLN 9 4.417 3.235 4.438 54 1HE2 GLN 9 1HE2 GLN 9 3.328 4.521 4.817 55 H CYS 10 H CYS 10 3.941 -1.682 2.166 56 HA CYS 10 HA CYS 10 1.436 -3.024 2.949 57 1HB CYS 10 1HB CYS 10 3.836 -4.006 1.485 58 2HB CYS 10 2HB CYS 10 3.045 -5.123 2.592 59 H TYR 11 H TYR 11 1.388 -4.162 4.873 60 HA TYR 11 HA TYR 11 3.521 -3.470 6.756 61 1HB TYR 11 1HB TYR 11 1.475 -2.807 7.664 62 2HB TYR 11 2HB TYR 11 0.635 -4.233 7.064 63 HD1 TYR 11 HD1 TYR 11 0.999 -6.435 8.194 64 HD2 TYR 11 HD2 TYR 11 2.493 -2.791 9.807 65 HE1 TYR 11 HE1 TYR 11 1.276 -7.523 10.382 66 HE2 TYR 11 HE2 TYR 11 2.774 -3.869 11.999 67 HH TYR 11 HH TYR 11 1.840 -7.258 12.513 No H/Q in entry = 67 Start of MODEL 2 1 H CYS 2 H CYS 2 -1.600 -3.667 -0.854 2 HA CYS 2 HA CYS 2 -0.413 -3.033 1.755 3 1HB CYS 2 1HB CYS 2 -0.172 -1.714 -0.951 4 2HB CYS 2 2HB CYS 2 0.464 -0.997 0.526 5 H THR 3 H THR 3 -0.807 -0.825 2.604 6 HA THR 3 HA THR 3 -3.542 -0.359 2.985 7 HB THR 3 HB THR 3 -2.887 1.618 4.201 8 HG1 THR 3 HG1 THR 3 -0.800 1.588 2.447 9 1HG2 THR 3 1HG2 THR 3 -2.217 -0.663 5.118 10 2HG2 THR 3 2HG2 THR 3 -0.579 -0.241 4.620 11 3HG2 THR 3 3HG2 THR 3 -1.427 0.760 5.798 12 H ALA 4 H ALA 4 -4.901 1.329 2.302 13 HA ALA 4 HA ALA 4 -4.617 2.038 -0.442 14 1HB ALA 4 1HB ALA 4 -6.775 1.620 0.875 15 2HB ALA 4 2HB ALA 4 -6.603 3.287 1.425 16 3HB ALA 4 3HB ALA 4 -6.766 2.938 -0.296 17 H SER 5 H SER 5 -2.380 3.042 0.398 18 HA SER 5 HA SER 5 -2.848 5.940 0.664 19 1HB SER 5 1HB SER 5 -0.731 6.109 1.886 20 2HB SER 5 2HB SER 5 -1.825 4.993 2.702 21 HG SER 5 HG SER 5 0.412 4.370 1.083 22 H ILE 6 H ILE 6 -1.081 7.285 -0.249 23 HA ILE 6 HA ILE 6 0.159 5.994 -2.589 24 HB ILE 6 HB ILE 6 -0.740 8.859 -2.607 25 1HG1 ILE 6 1HG1 ILE 6 -2.472 7.092 -4.110 26 2HG1 ILE 6 2HG1 ILE 6 -2.473 6.663 -2.402 27 1HG2 ILE 6 1HG2 ILE 6 0.924 7.882 -4.271 28 2HG2 ILE 6 2HG2 ILE 6 -0.439 6.969 -4.919 29 3HG2 ILE 6 3HG2 ILE 6 -0.472 8.732 -4.934 30 1HD1 ILE 6 1HD1 ILE 6 -2.876 9.489 -3.298 31 2HD1 ILE 6 2HD1 ILE 6 -4.210 8.338 -3.225 32 3HD1 ILE 6 3HD1 ILE 6 -3.309 8.738 -1.762 33 HA PRO 7 HA PRO 7 1.822 5.468 -3.326 34 1HB PRO 7 1HB PRO 7 4.130 4.248 -2.651 35 2HB PRO 7 2HB PRO 7 4.082 5.618 -3.768 36 1HG PRO 7 1HG PRO 7 4.774 5.571 -0.854 37 2HG PRO 7 2HG PRO 7 5.570 6.438 -2.180 38 1HD PRO 7 1HD PRO 7 3.813 7.619 -0.464 39 2HD PRO 7 2HD PRO 7 4.044 8.153 -2.141 40 HA PRO 8 HA PRO 8 0.176 2.642 -0.342 41 1HB PRO 8 1HB PRO 8 0.028 0.410 -1.859 42 2HB PRO 8 2HB PRO 8 -1.050 1.790 -2.097 43 1HG PRO 8 1HG PRO 8 1.420 1.034 -3.610 44 2HG PRO 8 2HG PRO 8 -0.138 1.610 -4.230 45 1HD PRO 8 1HD PRO 8 2.028 3.225 -3.951 46 2HD PRO 8 2HD PRO 8 0.361 3.813 -3.793 47 H GLN 9 H GLN 9 1.030 1.432 1.242 48 HA GLN 9 HA GLN 9 3.463 -0.119 0.675 49 1HB GLN 9 1HB GLN 9 4.556 0.652 2.608 50 2HB GLN 9 2HB GLN 9 3.874 2.099 1.878 51 1HG GLN 9 1HG GLN 9 1.990 1.980 3.453 52 2HG GLN 9 2HG GLN 9 2.733 0.570 4.207 53 2HE2 GLN 9 2HE2 GLN 9 2.200 2.603 5.815 54 1HE2 GLN 9 1HE2 GLN 9 3.633 3.461 6.255 55 H CYS 10 H CYS 10 3.836 -1.913 2.103 56 HA CYS 10 HA CYS 10 1.344 -2.915 3.313 57 1HB CYS 10 1HB CYS 10 3.618 -4.332 1.938 58 2HB CYS 10 2HB CYS 10 2.504 -5.193 2.995 59 H TYR 11 H TYR 11 1.576 -4.308 5.202 60 HA TYR 11 HA TYR 11 3.692 -3.313 6.961 61 1HB TYR 11 1HB TYR 11 2.247 -4.396 8.760 62 2HB TYR 11 2HB TYR 11 1.552 -3.011 7.926 63 HD1 TYR 11 HD1 TYR 11 1.739 -6.689 7.247 64 HD2 TYR 11 HD2 TYR 11 -0.713 -3.228 7.589 65 HE1 TYR 11 HE1 TYR 11 -0.236 -8.037 6.671 66 HE2 TYR 11 HE2 TYR 11 -2.693 -4.566 7.014 67 HH TYR 11 HH TYR 11 -2.921 -7.701 7.225 No H/Q in entry = 67 Start of MODEL 3 1 H CYS 2 H CYS 2 -2.096 -4.886 0.537 2 HA CYS 2 HA CYS 2 -0.432 -2.994 2.041 3 1HB CYS 2 1HB CYS 2 -1.326 -2.762 -0.835 4 2HB CYS 2 2HB CYS 2 -0.060 -1.843 -0.031 5 H THR 3 H THR 3 -1.104 -0.849 2.376 6 HA THR 3 HA THR 3 -3.984 -0.570 2.645 7 HB THR 3 HB THR 3 -3.495 1.375 4.000 8 HG1 THR 3 HG1 THR 3 -1.006 1.161 2.775 9 1HG2 THR 3 1HG2 THR 3 -2.973 -1.029 4.869 10 2HG2 THR 3 2HG2 THR 3 -1.307 -0.452 4.844 11 3HG2 THR 3 3HG2 THR 3 -2.517 0.389 5.813 12 H ALA 4 H ALA 4 -5.024 1.501 2.048 13 HA ALA 4 HA ALA 4 -4.389 2.155 -0.686 14 1HB ALA 4 1HB ALA 4 -6.724 1.854 0.252 15 2HB ALA 4 2HB ALA 4 -6.523 3.439 0.999 16 3HB ALA 4 3HB ALA 4 -6.463 3.277 -0.756 17 H SER 5 H SER 5 -2.216 3.009 0.217 18 HA SER 5 HA SER 5 -2.507 5.859 0.898 19 1HB SER 5 1HB SER 5 -0.007 5.538 1.582 20 2HB SER 5 2HB SER 5 -1.276 4.955 2.659 21 HG SER 5 HG SER 5 0.684 3.558 1.696 22 H ILE 6 H ILE 6 -0.780 7.283 0.027 23 HA ILE 6 HA ILE 6 0.118 6.388 -2.635 24 HB ILE 6 HB ILE 6 -1.001 9.086 -1.877 25 1HG1 ILE 6 1HG1 ILE 6 -1.911 7.020 -3.892 26 2HG1 ILE 6 2HG1 ILE 6 -2.672 7.334 -2.336 27 1HG2 ILE 6 1HG2 ILE 6 0.724 8.238 -4.119 28 2HG2 ILE 6 2HG2 ILE 6 -0.646 9.271 -4.526 29 3HG2 ILE 6 3HG2 ILE 6 0.550 9.816 -3.352 30 1HD1 ILE 6 1HD1 ILE 6 -2.412 9.392 -4.509 31 2HD1 ILE 6 2HD1 ILE 6 -3.820 8.352 -4.296 32 3HD1 ILE 6 3HD1 ILE 6 -3.370 9.497 -3.032 33 HA PRO 7 HA PRO 7 1.687 5.693 -3.388 34 1HB PRO 7 1HB PRO 7 3.909 4.247 -2.879 35 2HB PRO 7 2HB PRO 7 3.924 5.659 -3.942 36 1HG PRO 7 1HG PRO 7 4.755 5.440 -1.074 37 2HG PRO 7 2HG PRO 7 5.557 6.287 -2.410 38 1HD PRO 7 1HD PRO 7 4.005 7.551 -0.565 39 2HD PRO 7 2HD PRO 7 4.183 8.120 -2.238 40 HA PRO 8 HA PRO 8 0.112 2.578 -0.693 41 1HB PRO 8 1HB PRO 8 0.715 0.251 -1.942 42 2HB PRO 8 2HB PRO 8 -0.498 1.378 -2.558 43 1HG PRO 8 1HG PRO 8 2.350 1.008 -3.406 44 2HG PRO 8 2HG PRO 8 0.903 1.236 -4.409 45 1HD PRO 8 1HD PRO 8 2.636 3.248 -3.852 46 2HD PRO 8 2HD PRO 8 0.900 3.519 -4.106 47 H GLN 9 H GLN 9 0.664 1.402 1.084 48 HA GLN 9 HA GLN 9 3.497 0.640 1.365 49 1HB GLN 9 1HB GLN 9 3.597 1.474 3.520 50 2HB GLN 9 2HB GLN 9 2.563 2.658 2.734 51 1HG GLN 9 1HG GLN 9 1.282 2.324 4.547 52 2HG GLN 9 2HG GLN 9 0.695 0.950 3.611 53 2HE2 GLN 9 2HE2 GLN 9 3.688 1.484 5.429 54 1HE2 GLN 9 1HE2 GLN 9 3.509 0.112 6.464 55 H CYS 10 H CYS 10 3.916 -1.386 2.026 56 HA CYS 10 HA CYS 10 1.654 -3.018 2.974 57 1HB CYS 10 1HB CYS 10 3.896 -4.253 1.425 58 2HB CYS 10 2HB CYS 10 2.228 -4.790 1.595 59 H TYR 11 H TYR 11 1.983 -4.203 4.766 60 HA TYR 11 HA TYR 11 4.606 -3.993 6.046 61 1HB TYR 11 1HB TYR 11 3.320 -4.846 8.070 62 2HB TYR 11 2HB TYR 11 2.873 -3.249 7.481 63 HD1 TYR 11 HD1 TYR 11 1.895 -6.827 7.011 64 HD2 TYR 11 HD2 TYR 11 0.626 -2.774 7.256 65 HE1 TYR 11 HE1 TYR 11 -0.447 -7.557 6.834 66 HE2 TYR 11 HE2 TYR 11 -1.720 -3.491 7.080 67 HH TYR 11 HH TYR 11 -2.594 -6.733 6.266 No H/Q in entry = 67 Start of MODEL 4 1 H CYS 2 H CYS 2 -2.198 -4.693 0.324 2 HA CYS 2 HA CYS 2 -0.485 -3.081 2.076 3 1HB CYS 2 1HB CYS 2 -1.018 -3.139 -0.851 4 2HB CYS 2 2HB CYS 2 -0.636 -1.578 -0.132 5 H THR 3 H THR 3 -0.987 -0.751 2.253 6 HA THR 3 HA THR 3 -3.849 -0.402 2.728 7 HB THR 3 HB THR 3 -3.282 1.354 4.203 8 HG1 THR 3 HG1 THR 3 -0.628 1.314 3.220 9 1HG2 THR 3 1HG2 THR 3 -1.983 -1.122 4.506 10 2HG2 THR 3 2HG2 THR 3 -0.840 0.130 4.995 11 3HG2 THR 3 3HG2 THR 3 -2.430 0.041 5.755 12 H ALA 4 H ALA 4 -5.077 1.193 1.801 13 HA ALA 4 HA ALA 4 -4.353 2.071 -0.782 14 1HB ALA 4 1HB ALA 4 -6.605 2.943 1.023 15 2HB ALA 4 2HB ALA 4 -6.665 1.704 -0.230 16 3HB ALA 4 3HB ALA 4 -6.448 3.396 -0.673 17 H SER 5 H SER 5 -2.228 2.969 0.319 18 HA SER 5 HA SER 5 -2.641 5.820 0.927 19 1HB SER 5 1HB SER 5 -0.431 5.768 2.000 20 2HB SER 5 2HB SER 5 -1.502 4.561 2.711 21 HG SER 5 HG SER 5 -0.448 3.122 1.040 22 H ILE 6 H ILE 6 -0.930 7.293 0.124 23 HA ILE 6 HA ILE 6 0.098 6.409 -2.493 24 HB ILE 6 HB ILE 6 -0.910 9.165 -1.778 25 1HG1 ILE 6 1HG1 ILE 6 -2.081 7.003 -3.542 26 2HG1 ILE 6 2HG1 ILE 6 -2.750 7.591 -2.024 27 1HG2 ILE 6 1HG2 ILE 6 0.547 8.060 -4.117 28 2HG2 ILE 6 2HG2 ILE 6 -0.712 9.258 -4.417 29 3HG2 ILE 6 3HG2 ILE 6 0.650 9.652 -3.366 30 1HD1 ILE 6 1HD1 ILE 6 -2.916 9.856 -3.152 31 2HD1 ILE 6 2HD1 ILE 6 -2.594 9.004 -4.662 32 3HD1 ILE 6 3HD1 ILE 6 -4.021 8.599 -3.708 33 HA PRO 7 HA PRO 7 1.666 5.800 -3.285 34 1HB PRO 7 1HB PRO 7 3.933 4.396 -2.923 35 2HB PRO 7 2HB PRO 7 3.900 5.893 -3.861 36 1HG PRO 7 1HG PRO 7 4.770 5.450 -1.031 37 2HG PRO 7 2HG PRO 7 5.531 6.434 -2.295 38 1HD PRO 7 1HD PRO 7 3.948 7.471 -0.325 39 2HD PRO 7 2HD PRO 7 4.128 8.211 -1.926 40 HA PRO 8 HA PRO 8 0.174 2.577 -0.659 41 1HB PRO 8 1HB PRO 8 0.319 0.416 -2.268 42 2HB PRO 8 2HB PRO 8 -0.830 1.728 -2.554 43 1HG PRO 8 1HG PRO 8 1.810 1.203 -3.866 44 2HG PRO 8 2HG PRO 8 0.277 1.705 -4.600 45 1HD PRO 8 1HD PRO 8 2.305 3.438 -4.052 46 2HD PRO 8 2HD PRO 8 0.595 3.914 -4.056 47 H GLN 9 H GLN 9 1.018 1.410 0.960 48 HA GLN 9 HA GLN 9 3.559 0.004 0.521 49 1HB GLN 9 1HB GLN 9 3.106 2.273 2.238 50 2HB GLN 9 2HB GLN 9 3.569 0.874 3.198 51 1HG GLN 9 1HG GLN 9 5.645 0.718 2.221 52 2HG GLN 9 2HG GLN 9 5.140 1.572 0.764 53 2HE2 GLN 9 2HE2 GLN 9 6.404 3.297 0.645 54 1HE2 GLN 9 1HE2 GLN 9 6.664 4.444 1.911 55 H CYS 10 H CYS 10 3.981 -1.715 2.061 56 HA CYS 10 HA CYS 10 1.496 -2.817 3.200 57 1HB CYS 10 1HB CYS 10 3.684 -4.067 1.621 58 2HB CYS 10 2HB CYS 10 2.968 -5.031 2.908 59 H TYR 11 H TYR 11 1.746 -4.180 5.095 60 HA TYR 11 HA TYR 11 3.869 -3.164 6.839 61 1HB TYR 11 1HB TYR 11 1.083 -3.927 7.213 62 2HB TYR 11 2HB TYR 11 2.140 -4.673 8.405 63 HD1 TYR 11 HD1 TYR 11 0.857 -1.491 7.097 64 HD2 TYR 11 HD2 TYR 11 3.265 -3.345 10.074 65 HE1 TYR 11 HE1 TYR 11 0.886 0.611 8.374 66 HE2 TYR 11 HE2 TYR 11 3.300 -1.249 11.360 67 HH TYR 11 HH TYR 11 3.021 1.240 10.833 No H/Q in entry = 67 Start of MODEL 5 1 H CYS 2 H CYS 2 -2.143 -4.454 0.257 2 HA CYS 2 HA CYS 2 -0.330 -2.971 2.027 3 1HB CYS 2 1HB CYS 2 -0.943 -2.808 -0.907 4 2HB CYS 2 2HB CYS 2 -0.242 -1.425 -0.072 5 H THR 3 H THR 3 -0.721 -0.671 2.345 6 HA THR 3 HA THR 3 -3.432 -0.173 3.088 7 HB THR 3 HB THR 3 -2.590 2.037 3.806 8 HG1 THR 3 HG1 THR 3 -0.978 2.050 2.006 9 1HG2 THR 3 1HG2 THR 3 -0.825 -0.270 4.576 10 2HG2 THR 3 2HG2 THR 3 -0.841 1.295 5.388 11 3HG2 THR 3 3HG2 THR 3 -2.284 0.281 5.397 12 H ALA 4 H ALA 4 -4.753 1.594 2.365 13 HA ALA 4 HA ALA 4 -4.587 1.959 -0.512 14 1HB ALA 4 1HB ALA 4 -6.695 1.498 1.111 15 2HB ALA 4 2HB ALA 4 -6.781 3.253 0.962 16 3HB ALA 4 3HB ALA 4 -6.821 2.242 -0.483 17 H SER 5 H SER 5 -2.519 3.283 0.220 18 HA SER 5 HA SER 5 -3.312 6.094 0.045 19 1HB SER 5 1HB SER 5 -1.558 6.725 1.692 20 2HB SER 5 2HB SER 5 -2.849 5.761 2.409 21 HG SER 5 HG SER 5 -0.495 5.208 2.819 22 H ILE 6 H ILE 6 -1.479 7.501 -0.612 23 HA ILE 6 HA ILE 6 0.321 6.030 -2.420 24 HB ILE 6 HB ILE 6 -0.677 8.869 -2.668 25 1HG1 ILE 6 1HG1 ILE 6 -1.306 6.869 -4.744 26 2HG1 ILE 6 2HG1 ILE 6 -2.095 6.602 -3.192 27 1HG2 ILE 6 1HG2 ILE 6 1.660 8.244 -3.552 28 2HG2 ILE 6 2HG2 ILE 6 0.785 7.335 -4.785 29 3HG2 ILE 6 3HG2 ILE 6 0.545 9.076 -4.637 30 1HD1 ILE 6 1HD1 ILE 6 -2.804 9.053 -3.349 31 2HD1 ILE 6 2HD1 ILE 6 -2.346 8.935 -5.048 32 3HD1 ILE 6 3HD1 ILE 6 -3.608 7.886 -4.400 33 HA PRO 7 HA PRO 7 2.093 5.693 -3.085 34 1HB PRO 7 1HB PRO 7 4.364 4.482 -2.315 35 2HB PRO 7 2HB PRO 7 4.381 5.998 -3.225 36 1HG PRO 7 1HG PRO 7 4.736 5.549 -0.287 37 2HG PRO 7 2HG PRO 7 5.635 6.626 -1.370 38 1HD PRO 7 1HD PRO 7 3.614 7.465 0.275 39 2HD PRO 7 2HD PRO 7 4.048 8.275 -1.242 40 HA PRO 8 HA PRO 8 0.271 2.480 -0.635 41 1HB PRO 8 1HB PRO 8 0.342 0.453 -2.415 42 2HB PRO 8 2HB PRO 8 -0.747 1.833 -2.600 43 1HG PRO 8 1HG PRO 8 1.885 1.307 -3.927 44 2HG PRO 8 2HG PRO 8 0.381 1.926 -4.633 45 1HD PRO 8 1HD PRO 8 2.464 3.532 -3.935 46 2HD PRO 8 2HD PRO 8 0.773 4.070 -3.900 47 H GLN 9 H GLN 9 1.245 1.471 1.002 48 HA GLN 9 HA GLN 9 3.608 -0.189 0.426 49 1HB GLN 9 1HB GLN 9 3.687 2.134 1.876 50 2HB GLN 9 2HB GLN 9 3.463 0.931 3.139 51 1HG GLN 9 1HG GLN 9 5.794 1.290 2.877 52 2HG GLN 9 2HG GLN 9 5.420 -0.302 2.219 53 2HE2 GLN 9 2HE2 GLN 9 6.843 2.694 1.637 54 1HE2 GLN 9 1HE2 GLN 9 7.149 2.504 -0.053 55 H CYS 10 H CYS 10 3.966 -1.943 1.959 56 HA CYS 10 HA CYS 10 1.432 -2.909 3.109 57 1HB CYS 10 1HB CYS 10 3.600 -4.270 1.591 58 2HB CYS 10 2HB CYS 10 2.813 -5.184 2.873 59 H TYR 11 H TYR 11 2.312 -1.468 4.924 60 HA TYR 11 HA TYR 11 4.226 -2.958 6.588 61 1HB TYR 11 1HB TYR 11 3.691 -0.108 6.165 62 2HB TYR 11 2HB TYR 11 3.821 -0.552 7.864 63 HD1 TYR 11 HD1 TYR 11 5.896 -2.193 8.353 64 HD2 TYR 11 HD2 TYR 11 5.629 0.544 5.106 65 HE1 TYR 11 HE1 TYR 11 8.348 -2.177 8.172 66 HE2 TYR 11 HE2 TYR 11 8.080 0.567 4.917 67 HH TYR 11 HH TYR 11 9.997 -1.207 5.605 No H/Q in entry = 67 Start of MODEL 6 1 H CYS 2 H CYS 2 -1.446 -3.667 -0.978 2 HA CYS 2 HA CYS 2 -0.428 -2.998 1.688 3 1HB CYS 2 1HB CYS 2 -0.270 -1.411 -0.884 4 2HB CYS 2 2HB CYS 2 0.524 -1.006 0.634 5 H THR 3 H THR 3 -1.037 -0.918 2.636 6 HA THR 3 HA THR 3 -3.842 -0.608 2.753 7 HB THR 3 HB THR 3 -3.441 1.135 4.327 8 HG1 THR 3 HG1 THR 3 -1.812 2.450 4.183 9 1HG2 THR 3 1HG2 THR 3 -2.420 -1.283 4.766 10 2HG2 THR 3 2HG2 THR 3 -0.938 -0.330 4.861 11 3HG2 THR 3 3HG2 THR 3 -2.294 0.039 5.926 12 H ALA 4 H ALA 4 -5.091 1.294 2.251 13 HA ALA 4 HA ALA 4 -4.702 2.201 -0.392 14 1HB ALA 4 1HB ALA 4 -6.677 2.592 1.732 15 2HB ALA 4 2HB ALA 4 -6.903 2.372 -0.003 16 3HB ALA 4 3HB ALA 4 -6.507 3.966 0.640 17 H SER 5 H SER 5 -2.357 2.869 0.354 18 HA SER 5 HA SER 5 -2.420 5.747 0.991 19 1HB SER 5 1HB SER 5 0.005 5.358 1.718 20 2HB SER 5 2HB SER 5 -1.253 4.696 2.765 21 HG SER 5 HG SER 5 -0.638 2.731 2.275 22 H ILE 6 H ILE 6 -0.841 7.088 -0.075 23 HA ILE 6 HA ILE 6 0.142 5.963 -2.615 24 HB ILE 6 HB ILE 6 -1.052 8.708 -2.218 25 1HG1 ILE 6 1HG1 ILE 6 -2.077 6.156 -3.416 26 2HG1 ILE 6 2HG1 ILE 6 -2.890 7.276 -2.328 27 1HG2 ILE 6 1HG2 ILE 6 0.920 8.253 -3.897 28 2HG2 ILE 6 2HG2 ILE 6 -0.374 7.579 -4.887 29 3HG2 ILE 6 3HG2 ILE 6 -0.453 9.260 -4.357 30 1HD1 ILE 6 1HD1 ILE 6 -2.683 8.905 -4.371 31 2HD1 ILE 6 2HD1 ILE 6 -2.554 7.397 -5.276 32 3HD1 ILE 6 3HD1 ILE 6 -3.978 7.711 -4.283 33 HA PRO 7 HA PRO 7 1.764 5.426 -3.459 34 1HB PRO 7 1HB PRO 7 4.093 4.172 -2.899 35 2HB PRO 7 2HB PRO 7 3.997 5.535 -4.021 36 1HG PRO 7 1HG PRO 7 4.842 5.503 -1.148 37 2HG PRO 7 2HG PRO 7 5.580 6.347 -2.523 38 1HD PRO 7 1HD PRO 7 3.945 7.582 -0.739 39 2HD PRO 7 2HD PRO 7 4.060 8.074 -2.441 40 HA PRO 8 HA PRO 8 0.030 2.520 -0.632 41 1HB PRO 8 1HB PRO 8 1.171 0.430 -2.413 42 2HB PRO 8 2HB PRO 8 -0.498 0.670 -1.884 43 1HG PRO 8 1HG PRO 8 0.249 1.294 -4.365 44 2HG PRO 8 2HG PRO 8 -0.909 2.302 -3.478 45 1HD PRO 8 1HD PRO 8 1.988 2.778 -4.034 46 2HD PRO 8 2HD PRO 8 0.642 3.936 -3.983 47 H GLN 9 H GLN 9 0.658 1.359 1.131 48 HA GLN 9 HA GLN 9 3.468 0.497 1.271 49 1HB GLN 9 1HB GLN 9 2.766 2.692 2.535 50 2HB GLN 9 2HB GLN 9 2.093 1.565 3.704 51 1HG GLN 9 1HG GLN 9 4.129 0.837 4.392 52 2HG GLN 9 2HG GLN 9 4.882 1.109 2.820 53 2HE2 GLN 9 2HE2 GLN 9 2.958 3.554 4.351 54 1HE2 GLN 9 1HE2 GLN 9 4.258 4.617 4.756 55 H CYS 10 H CYS 10 3.803 -1.491 2.075 56 HA CYS 10 HA CYS 10 1.455 -2.939 3.100 57 1HB CYS 10 1HB CYS 10 3.787 -3.741 1.425 58 2HB CYS 10 2HB CYS 10 3.098 -4.946 2.507 59 H TYR 11 H TYR 11 1.432 -3.337 5.202 60 HA TYR 11 HA TYR 11 3.940 -3.241 6.707 61 1HB TYR 11 1HB TYR 11 1.073 -2.809 7.362 62 2HB TYR 11 2HB TYR 11 2.095 -3.461 8.638 63 HD1 TYR 11 HD1 TYR 11 2.923 -0.973 5.992 64 HD2 TYR 11 HD2 TYR 11 2.359 -1.704 10.145 65 HE1 TYR 11 HE1 TYR 11 3.728 1.296 6.494 66 HE2 TYR 11 HE2 TYR 11 3.162 0.562 10.659 67 HH TYR 11 HH TYR 11 4.722 2.282 9.452 No H/Q in entry = 67 Start of MODEL 7 1 H CYS 2 H CYS 2 -2.001 -4.302 0.017 2 HA CYS 2 HA CYS 2 -0.337 -2.821 1.933 3 1HB CYS 2 1HB CYS 2 -0.849 -2.513 -1.012 4 2HB CYS 2 2HB CYS 2 -0.221 -1.168 -0.064 5 H THR 3 H THR 3 -0.876 -0.581 2.375 6 HA THR 3 HA THR 3 -3.681 -0.268 2.910 7 HB THR 3 HB THR 3 -2.893 1.984 3.830 8 HG1 THR 3 HG1 THR 3 -0.908 2.522 3.501 9 1HG2 THR 3 1HG2 THR 3 -2.591 -0.613 4.904 10 2HG2 THR 3 2HG2 THR 3 -1.182 0.338 5.372 11 3HG2 THR 3 3HG2 THR 3 -2.804 0.916 5.757 12 H ALA 4 H ALA 4 -5.037 1.395 2.158 13 HA ALA 4 HA ALA 4 -4.666 2.061 -0.595 14 1HB ALA 4 1HB ALA 4 -6.815 2.154 1.341 15 2HB ALA 4 2HB ALA 4 -6.885 2.004 -0.415 16 3HB ALA 4 3HB ALA 4 -6.782 3.599 0.331 17 H SER 5 H SER 5 -2.501 3.132 0.357 18 HA SER 5 HA SER 5 -3.054 6.022 0.516 19 1HB SER 5 1HB SER 5 -1.027 6.264 1.897 20 2HB SER 5 2HB SER 5 -2.209 5.209 2.670 21 HG SER 5 HG SER 5 0.294 4.624 1.637 22 H ILE 6 H ILE 6 -1.198 7.368 -0.236 23 HA ILE 6 HA ILE 6 0.210 6.057 -2.469 24 HB ILE 6 HB ILE 6 -0.878 8.872 -2.413 25 1HG1 ILE 6 1HG1 ILE 6 -2.599 7.089 -2.665 26 2HG1 ILE 6 2HG1 ILE 6 -2.461 8.123 -4.085 27 1HG2 ILE 6 1HG2 ILE 6 1.316 8.075 -3.749 28 2HG2 ILE 6 2HG2 ILE 6 0.070 7.665 -4.928 29 3HG2 ILE 6 3HG2 ILE 6 0.213 9.320 -4.335 30 1HD1 ILE 6 1HD1 ILE 6 -0.865 6.278 -4.955 31 2HD1 ILE 6 2HD1 ILE 6 -1.647 5.277 -3.731 32 3HD1 ILE 6 3HD1 ILE 6 -2.610 6.022 -5.007 33 HA PRO 7 HA PRO 7 1.899 5.636 -3.248 34 1HB PRO 7 1HB PRO 7 4.202 4.383 -2.642 35 2HB PRO 7 2HB PRO 7 4.169 5.858 -3.616 36 1HG PRO 7 1HG PRO 7 4.788 5.523 -0.706 37 2HG PRO 7 2HG PRO 7 5.609 6.526 -1.917 38 1HD PRO 7 1HD PRO 7 3.789 7.509 -0.135 39 2HD PRO 7 2HD PRO 7 4.073 8.220 -1.736 40 HA PRO 8 HA PRO 8 0.249 2.445 -0.681 41 1HB PRO 8 1HB PRO 8 0.626 0.263 -2.253 42 2HB PRO 8 2HB PRO 8 -0.595 1.494 -2.594 43 1HG PRO 8 1HG PRO 8 2.130 1.148 -3.784 44 2HG PRO 8 2HG PRO 8 0.600 1.547 -4.588 45 1HD PRO 8 1HD PRO 8 2.464 3.418 -3.990 46 2HD PRO 8 2HD PRO 8 0.724 3.771 -3.996 47 H GLN 9 H GLN 9 0.993 1.303 1.004 48 HA GLN 9 HA GLN 9 3.672 0.098 0.807 49 1HB GLN 9 1HB GLN 9 3.508 2.268 2.172 50 2HB GLN 9 2HB GLN 9 2.602 1.319 3.344 51 1HG GLN 9 1HG GLN 9 5.169 1.647 3.610 52 2HG GLN 9 2HG GLN 9 4.425 0.091 3.974 53 2HE2 GLN 9 2HE2 GLN 9 6.723 1.742 2.117 54 1HE2 GLN 9 1HE2 GLN 9 7.214 0.427 1.110 55 H CYS 10 H CYS 10 4.055 -1.683 2.294 56 HA CYS 10 HA CYS 10 1.590 -3.009 3.201 57 1HB CYS 10 1HB CYS 10 3.698 -4.020 1.362 58 2HB CYS 10 2HB CYS 10 3.034 -5.158 2.529 59 H TYR 11 H TYR 11 1.750 -3.008 5.352 60 HA TYR 11 HA TYR 11 4.357 -3.460 6.604 61 1HB TYR 11 1HB TYR 11 2.271 -1.730 7.216 62 2HB TYR 11 2HB TYR 11 2.128 -3.003 8.424 63 HD1 TYR 11 HD1 TYR 11 4.787 -0.890 6.853 64 HD2 TYR 11 HD2 TYR 11 3.302 -2.732 10.389 65 HE1 TYR 11 HE1 TYR 11 6.604 0.143 8.146 66 HE2 TYR 11 HE2 TYR 11 5.116 -1.703 11.693 67 HH TYR 11 HH TYR 11 6.724 -0.073 11.646 No H/Q in entry = 67 Start of MODEL 8 1 H CYS 2 H CYS 2 -1.687 -4.047 -0.625 2 HA CYS 2 HA CYS 2 -0.342 -3.046 1.786 3 1HB CYS 2 1HB CYS 2 -0.361 -2.186 -1.084 4 2HB CYS 2 2HB CYS 2 0.017 -1.009 0.169 5 H THR 3 H THR 3 -0.884 -0.781 2.424 6 HA THR 3 HA THR 3 -3.725 -0.556 2.775 7 HB THR 3 HB THR 3 -3.246 1.230 4.272 8 HG1 THR 3 HG1 THR 3 -0.558 1.335 3.458 9 1HG2 THR 3 1HG2 THR 3 -1.535 -1.121 4.399 10 2HG2 THR 3 2HG2 THR 3 -0.891 0.273 5.266 11 3HG2 THR 3 3HG2 THR 3 -2.498 -0.343 5.655 12 H ALA 4 H ALA 4 -5.025 1.243 2.180 13 HA ALA 4 HA ALA 4 -4.609 2.128 -0.482 14 1HB ALA 4 1HB ALA 4 -6.645 2.743 1.626 15 2HB ALA 4 2HB ALA 4 -6.846 1.891 0.096 16 3HB ALA 4 3HB ALA 4 -6.618 3.638 0.107 17 H SER 5 H SER 5 -2.349 2.960 0.414 18 HA SER 5 HA SER 5 -2.656 5.841 0.959 19 1HB SER 5 1HB SER 5 -0.263 5.626 1.875 20 2HB SER 5 2HB SER 5 -1.565 4.952 2.855 21 HG SER 5 HG SER 5 0.243 3.530 2.619 22 H ILE 6 H ILE 6 -0.859 7.190 0.102 23 HA ILE 6 HA ILE 6 0.170 6.112 -2.440 24 HB ILE 6 HB ILE 6 -0.433 9.023 -2.164 25 1HG1 ILE 6 1HG1 ILE 6 -2.684 8.299 -3.340 26 2HG1 ILE 6 2HG1 ILE 6 -2.422 6.807 -2.444 27 1HG2 ILE 6 1HG2 ILE 6 -0.123 7.035 -4.372 28 2HG2 ILE 6 2HG2 ILE 6 -1.014 8.532 -4.649 29 3HG2 ILE 6 3HG2 ILE 6 0.675 8.591 -4.143 30 1HD1 ILE 6 1HD1 ILE 6 -2.032 8.970 -0.661 31 2HD1 ILE 6 2HD1 ILE 6 -3.536 9.243 -1.540 32 3HD1 ILE 6 3HD1 ILE 6 -3.297 7.742 -0.648 33 HA PRO 7 HA PRO 7 1.728 5.616 -3.359 34 1HB PRO 7 1HB PRO 7 4.029 4.248 -3.094 35 2HB PRO 7 2HB PRO 7 3.947 5.773 -3.985 36 1HG PRO 7 1HG PRO 7 4.891 5.259 -1.191 37 2HG PRO 7 2HG PRO 7 5.606 6.294 -2.442 38 1HD PRO 7 1HD PRO 7 4.049 7.241 -0.404 39 2HD PRO 7 2HD PRO 7 4.184 8.034 -1.986 40 HA PRO 8 HA PRO 8 0.028 2.412 -0.849 41 1HB PRO 8 1HB PRO 8 1.066 0.537 -2.914 42 2HB PRO 8 2HB PRO 8 -0.578 0.734 -2.296 43 1HG PRO 8 1HG PRO 8 0.088 1.648 -4.708 44 2HG PRO 8 2HG PRO 8 -1.014 2.558 -3.658 45 1HD PRO 8 1HD PRO 8 1.868 3.053 -4.267 46 2HD PRO 8 2HD PRO 8 0.550 4.217 -4.020 47 H GLN 9 H GLN 9 0.837 1.461 0.907 48 HA GLN 9 HA GLN 9 3.473 0.168 0.732 49 1HB GLN 9 1HB GLN 9 3.553 2.444 1.834 50 2HB GLN 9 2HB GLN 9 2.547 1.776 3.112 51 1HG GLN 9 1HG GLN 9 4.647 1.551 4.003 52 2HG GLN 9 2HG GLN 9 4.400 -0.033 3.270 53 2HE2 GLN 9 2HE2 GLN 9 5.739 -0.702 1.693 54 1HE2 GLN 9 1HE2 GLN 9 7.052 0.229 1.063 55 H CYS 10 H CYS 10 3.838 -1.535 2.245 56 HA CYS 10 HA CYS 10 1.344 -2.701 3.295 57 1HB CYS 10 1HB CYS 10 3.767 -3.982 2.053 58 2HB CYS 10 2HB CYS 10 2.680 -4.901 3.088 59 H TYR 11 H TYR 11 1.759 -4.291 5.123 60 HA TYR 11 HA TYR 11 3.503 -2.973 7.067 61 1HB TYR 11 1HB TYR 11 2.180 -3.963 8.767 62 2HB TYR 11 2HB TYR 11 1.044 -3.430 7.533 63 HD1 TYR 11 HD1 TYR 11 3.013 -6.468 8.465 64 HD2 TYR 11 HD2 TYR 11 -0.612 -4.901 6.883 65 HE1 TYR 11 HE1 TYR 11 2.090 -8.743 8.345 66 HE2 TYR 11 HE2 TYR 11 -1.546 -7.173 6.760 67 HH TYR 11 HH TYR 11 0.361 -9.968 7.132 No H/Q in entry = 67 Start of MODEL 9 1 H CYS 2 H CYS 2 -1.928 -4.723 0.663 2 HA CYS 2 HA CYS 2 -0.318 -2.723 2.091 3 1HB CYS 2 1HB CYS 2 -0.988 -3.165 -0.789 4 2HB CYS 2 2HB CYS 2 -0.635 -1.529 -0.243 5 H THR 3 H THR 3 -1.093 -0.570 2.307 6 HA THR 3 HA THR 3 -3.999 -0.457 2.593 7 HB THR 3 HB THR 3 -3.674 1.338 4.097 8 HG1 THR 3 HG1 THR 3 -1.360 2.117 4.288 9 1HG2 THR 3 1HG2 THR 3 -1.475 -0.671 4.413 10 2HG2 THR 3 2HG2 THR 3 -1.754 0.617 5.584 11 3HG2 THR 3 3HG2 THR 3 -3.015 -0.575 5.267 12 H ALA 4 H ALA 4 -5.206 1.379 1.864 13 HA ALA 4 HA ALA 4 -4.541 2.160 -0.790 14 1HB ALA 4 1HB ALA 4 -6.774 2.771 1.094 15 2HB ALA 4 2HB ALA 4 -6.817 1.988 -0.486 16 3HB ALA 4 3HB ALA 4 -6.584 3.732 -0.373 17 H SER 5 H SER 5 -2.373 3.002 0.320 18 HA SER 5 HA SER 5 -2.702 5.879 0.858 19 1HB SER 5 1HB SER 5 -0.273 5.608 1.732 20 2HB SER 5 2HB SER 5 -1.594 4.992 2.723 21 HG SER 5 HG SER 5 0.229 3.531 2.409 22 H ILE 6 H ILE 6 -0.909 7.267 0.055 23 HA ILE 6 HA ILE 6 0.163 6.280 -2.504 24 HB ILE 6 HB ILE 6 -0.518 9.166 -2.210 25 1HG1 ILE 6 1HG1 ILE 6 -2.514 7.739 -1.480 26 2HG1 ILE 6 2HG1 ILE 6 -2.791 8.886 -2.787 27 1HG2 ILE 6 1HG2 ILE 6 0.443 7.479 -4.239 28 2HG2 ILE 6 2HG2 ILE 6 -1.192 7.946 -4.711 29 3HG2 ILE 6 3HG2 ILE 6 0.014 9.185 -4.363 30 1HD1 ILE 6 1HD1 ILE 6 -2.029 6.568 -4.084 31 2HD1 ILE 6 2HD1 ILE 6 -3.052 6.011 -2.759 32 3HD1 ILE 6 3HD1 ILE 6 -3.669 7.193 -3.913 33 HA PRO 7 HA PRO 7 1.766 5.696 -3.250 34 1HB PRO 7 1HB PRO 7 4.059 4.370 -2.788 35 2HB PRO 7 2HB PRO 7 4.011 5.837 -3.775 36 1HG PRO 7 1HG PRO 7 4.818 5.506 -0.910 37 2HG PRO 7 2HG PRO 7 5.589 6.466 -2.186 38 1HD PRO 7 1HD PRO 7 3.930 7.529 -0.294 39 2HD PRO 7 2HD PRO 7 4.133 8.218 -1.917 40 HA PRO 8 HA PRO 8 0.200 2.632 -0.474 41 1HB PRO 8 1HB PRO 8 0.182 0.459 -2.089 42 2HB PRO 8 2HB PRO 8 -0.952 1.800 -2.286 43 1HG PRO 8 1HG PRO 8 1.573 1.220 -3.785 44 2HG PRO 8 2HG PRO 8 0.003 1.762 -4.406 45 1HD PRO 8 1HD PRO 8 2.097 3.448 -4.014 46 2HD PRO 8 2HD PRO 8 0.404 3.961 -3.853 47 H GLN 9 H GLN 9 1.100 1.455 1.106 48 HA GLN 9 HA GLN 9 3.611 0.026 0.531 49 1HB GLN 9 1HB GLN 9 3.066 1.260 3.213 50 2HB GLN 9 2HB GLN 9 4.603 0.760 2.521 51 1HG GLN 9 1HG GLN 9 3.985 2.651 0.765 52 2HG GLN 9 2HG GLN 9 3.071 3.263 2.141 53 2HE2 GLN 9 2HE2 GLN 9 5.927 3.478 0.598 54 1HE2 GLN 9 1HE2 GLN 9 6.943 3.982 1.903 55 H CYS 10 H CYS 10 4.072 -1.761 2.004 56 HA CYS 10 HA CYS 10 1.604 -2.973 3.067 57 1HB CYS 10 1HB CYS 10 3.804 -4.101 1.405 58 2HB CYS 10 2HB CYS 10 3.072 -5.151 2.612 59 H TYR 11 H TYR 11 1.624 -3.101 5.203 60 HA TYR 11 HA TYR 11 4.172 -3.125 6.630 61 1HB TYR 11 1HB TYR 11 2.781 -1.513 7.578 62 2HB TYR 11 2HB TYR 11 1.339 -2.506 7.395 63 HD1 TYR 11 HD1 TYR 11 4.472 -2.148 9.349 64 HD2 TYR 11 HD2 TYR 11 0.592 -3.884 9.154 65 HE1 TYR 11 HE1 TYR 11 4.684 -2.873 11.690 66 HE2 TYR 11 HE2 TYR 11 0.794 -4.612 11.494 67 HH TYR 11 HH TYR 11 3.076 -3.434 13.596 No H/Q in entry = 67 Start of MODEL 10 1 H CYS 2 H CYS 2 -1.641 -3.610 -0.589 2 HA CYS 2 HA CYS 2 -0.391 -2.760 1.920 3 1HB CYS 2 1HB CYS 2 -0.482 -1.215 -0.671 4 2HB CYS 2 2HB CYS 2 0.612 -0.983 0.687 5 H THR 3 H THR 3 -0.828 -0.463 2.593 6 HA THR 3 HA THR 3 -3.601 -0.131 3.067 7 HB THR 3 HB THR 3 -2.848 2.129 3.992 8 HG1 THR 3 HG1 THR 3 -0.981 2.632 3.104 9 1HG2 THR 3 1HG2 THR 3 -2.422 -0.477 5.024 10 2HG2 THR 3 2HG2 THR 3 -1.058 0.539 5.488 11 3HG2 THR 3 3HG2 THR 3 -2.703 1.030 5.898 12 H ALA 4 H ALA 4 -5.080 1.278 2.206 13 HA ALA 4 HA ALA 4 -4.776 2.020 -0.494 14 1HB ALA 4 1HB ALA 4 -6.889 1.764 1.255 15 2HB ALA 4 2HB ALA 4 -6.854 3.493 0.908 16 3HB ALA 4 3HB ALA 4 -6.983 2.332 -0.412 17 H SER 5 H SER 5 -2.625 3.165 0.099 18 HA SER 5 HA SER 5 -3.191 6.029 0.094 19 1HB SER 5 1HB SER 5 -1.199 6.367 1.654 20 2HB SER 5 2HB SER 5 -2.675 5.748 2.395 21 HG SER 5 HG SER 5 -0.631 4.032 1.467 22 H ILE 6 H ILE 6 -1.576 7.296 -0.909 23 HA ILE 6 HA ILE 6 0.283 5.725 -2.563 24 HB ILE 6 HB ILE 6 -1.055 8.369 -3.119 25 1HG1 ILE 6 1HG1 ILE 6 -1.170 6.206 -5.098 26 2HG1 ILE 6 2HG1 ILE 6 -1.932 5.799 -3.564 27 1HG2 ILE 6 1HG2 ILE 6 1.092 6.959 -4.696 28 2HG2 ILE 6 2HG2 ILE 6 0.156 8.338 -5.271 29 3HG2 ILE 6 3HG2 ILE 6 1.228 8.519 -3.883 30 1HD1 ILE 6 1HD1 ILE 6 -2.934 8.278 -4.016 31 2HD1 ILE 6 2HD1 ILE 6 -2.781 7.652 -5.658 32 3HD1 ILE 6 3HD1 ILE 6 -3.730 6.769 -4.461 33 HA PRO 7 HA PRO 7 2.083 5.395 -3.199 34 1HB PRO 7 1HB PRO 7 4.389 4.400 -2.229 35 2HB PRO 7 2HB PRO 7 4.358 5.752 -3.365 36 1HG PRO 7 1HG PRO 7 4.690 5.786 -0.391 37 2HG PRO 7 2HG PRO 7 5.562 6.714 -1.625 38 1HD PRO 7 1HD PRO 7 3.502 7.735 -0.152 39 2HD PRO 7 2HD PRO 7 3.902 8.290 -1.789 40 HA PRO 8 HA PRO 8 0.278 2.457 -0.428 41 1HB PRO 8 1HB PRO 8 0.809 0.159 -1.800 42 2HB PRO 8 2HB PRO 8 -0.456 1.300 -2.267 43 1HG PRO 8 1HG PRO 8 2.314 0.993 -3.356 44 2HG PRO 8 2HG PRO 8 0.792 1.260 -4.226 45 1HD PRO 8 1HD PRO 8 2.543 3.257 -3.746 46 2HD PRO 8 2HD PRO 8 0.788 3.526 -3.778 47 H GLN 9 H GLN 9 0.868 1.135 1.252 48 HA GLN 9 HA GLN 9 3.678 0.267 1.362 49 1HB GLN 9 1HB GLN 9 2.107 1.856 3.340 50 2HB GLN 9 2HB GLN 9 3.295 0.709 3.943 51 1HG GLN 9 1HG GLN 9 5.058 1.916 3.183 52 2HG GLN 9 2HG GLN 9 4.164 2.565 1.809 53 2HE2 GLN 9 2HE2 GLN 9 3.611 2.621 5.313 54 1HE2 GLN 9 1HE2 GLN 9 3.485 4.340 5.439 55 H CYS 10 H CYS 10 3.945 -1.815 1.822 56 HA CYS 10 HA CYS 10 1.662 -3.293 2.954 57 1HB CYS 10 1HB CYS 10 3.610 -3.944 0.803 58 2HB CYS 10 2HB CYS 10 3.085 -5.266 1.839 59 H TYR 11 H TYR 11 2.086 -3.405 5.091 60 HA TYR 11 HA TYR 11 4.786 -4.112 5.973 61 1HB TYR 11 1HB TYR 11 2.919 -2.337 6.983 62 2HB TYR 11 2HB TYR 11 2.789 -3.718 8.068 63 HD1 TYR 11 HD1 TYR 11 5.174 -1.255 6.658 64 HD2 TYR 11 HD2 TYR 11 4.437 -4.129 9.707 65 HE1 TYR 11 HE1 TYR 11 7.185 -0.495 7.853 66 HE2 TYR 11 HE2 TYR 11 6.444 -3.376 10.910 67 HH TYR 11 HH TYR 11 8.691 -2.189 10.182 No H/Q in entry = 67 Start of MODEL 11 1 H CYS 2 H CYS 2 -2.234 -4.332 -0.072 2 HA CYS 2 HA CYS 2 -0.423 -3.090 1.875 3 1HB CYS 2 1HB CYS 2 -0.836 -2.781 -1.070 4 2HB CYS 2 2HB CYS 2 -0.196 -1.419 -0.157 5 H THR 3 H THR 3 -0.724 -0.909 2.517 6 HA THR 3 HA THR 3 -3.431 -0.233 3.051 7 HB THR 3 HB THR 3 -2.345 1.951 3.876 8 HG1 THR 3 HG1 THR 3 -0.432 1.997 2.836 9 1HG2 THR 3 1HG2 THR 3 -2.883 0.039 5.359 10 2HG2 THR 3 2HG2 THR 3 -1.256 -0.580 5.073 11 3HG2 THR 3 3HG2 THR 3 -1.479 0.977 5.870 12 H ALA 4 H ALA 4 -4.806 1.076 2.006 13 HA ALA 4 HA ALA 4 -4.279 1.893 -0.644 14 1HB ALA 4 1HB ALA 4 -6.516 2.683 1.219 15 2HB ALA 4 2HB ALA 4 -6.523 1.347 0.068 16 3HB ALA 4 3HB ALA 4 -6.476 3.010 -0.513 17 H SER 5 H SER 5 -2.196 3.021 0.312 18 HA SER 5 HA SER 5 -2.846 5.874 0.662 19 1HB SER 5 1HB SER 5 -0.762 6.114 1.934 20 2HB SER 5 2HB SER 5 -1.814 4.911 2.683 21 HG SER 5 HG SER 5 0.678 4.622 1.656 22 H ILE 6 H ILE 6 -1.126 7.356 -0.133 23 HA ILE 6 HA ILE 6 0.138 6.269 -2.566 24 HB ILE 6 HB ILE 6 -0.923 9.067 -2.161 25 1HG1 ILE 6 1HG1 ILE 6 -2.819 7.679 -2.398 26 2HG1 ILE 6 2HG1 ILE 6 -2.520 8.307 -4.015 27 1HG2 ILE 6 1HG2 ILE 6 0.535 7.721 -4.401 28 2HG2 ILE 6 2HG2 ILE 6 -0.556 9.070 -4.716 29 3HG2 ILE 6 3HG2 ILE 6 0.837 9.291 -3.657 30 1HD1 ILE 6 1HD1 ILE 6 -1.076 6.009 -4.054 31 2HD1 ILE 6 2HD1 ILE 6 -2.425 5.566 -3.008 32 3HD1 ILE 6 3HD1 ILE 6 -2.733 6.175 -4.635 33 HA PRO 7 HA PRO 7 1.768 5.699 -3.277 34 1HB PRO 7 1HB PRO 7 4.044 4.375 -2.728 35 2HB PRO 7 2HB PRO 7 4.030 5.834 -3.726 36 1HG PRO 7 1HG PRO 7 4.738 5.524 -0.834 37 2HG PRO 7 2HG PRO 7 5.553 6.476 -2.090 38 1HD PRO 7 1HD PRO 7 3.830 7.552 -0.263 39 2HD PRO 7 2HD PRO 7 4.086 8.229 -1.883 40 HA PRO 8 HA PRO 8 0.121 2.638 -0.545 41 1HB PRO 8 1HB PRO 8 0.158 0.458 -2.144 42 2HB PRO 8 2HB PRO 8 -0.959 1.803 -2.401 43 1HG PRO 8 1HG PRO 8 1.627 1.197 -3.784 44 2HG PRO 8 2HG PRO 8 0.088 1.739 -4.478 45 1HD PRO 8 1HD PRO 8 2.172 3.420 -4.007 46 2HD PRO 8 2HD PRO 8 0.476 3.942 -3.936 47 H GLN 9 H GLN 9 0.934 1.425 1.057 48 HA GLN 9 HA GLN 9 3.439 -0.041 0.588 49 1HB GLN 9 1HB GLN 9 3.450 2.253 1.981 50 2HB GLN 9 2HB GLN 9 3.022 1.144 3.277 51 1HG GLN 9 1HG GLN 9 5.338 1.276 3.382 52 2HG GLN 9 2HG GLN 9 5.035 -0.232 2.518 53 2HE2 GLN 9 2HE2 GLN 9 7.416 0.446 2.089 54 1HE2 GLN 9 1HE2 GLN 9 7.674 1.294 0.607 55 H CYS 10 H CYS 10 3.831 -1.776 2.145 56 HA CYS 10 HA CYS 10 1.308 -2.887 3.186 57 1HB CYS 10 1HB CYS 10 3.563 -4.120 1.688 58 2HB CYS 10 2HB CYS 10 2.796 -5.095 2.937 59 H TYR 11 H TYR 11 1.280 -3.777 5.222 60 HA TYR 11 HA TYR 11 3.566 -3.090 6.915 61 1HB TYR 11 1HB TYR 11 1.782 -3.768 8.734 62 2HB TYR 11 2HB TYR 11 1.701 -2.199 7.940 63 HD1 TYR 11 HD1 TYR 11 0.425 -5.686 7.508 64 HD2 TYR 11 HD2 TYR 11 -0.329 -1.523 7.067 65 HE1 TYR 11 HE1 TYR 11 -1.868 -6.185 6.774 66 HE2 TYR 11 HE2 TYR 11 -2.624 -2.009 6.332 67 HH TYR 11 HH TYR 11 -3.644 -4.861 5.253 No H/Q in entry = 67 Start of MODEL 12 1 H CYS 2 H CYS 2 -2.410 -5.031 1.189 2 HA CYS 2 HA CYS 2 -0.442 -3.042 2.070 3 1HB CYS 2 1HB CYS 2 -1.657 -3.574 -0.646 4 2HB CYS 2 2HB CYS 2 -0.549 -2.250 -0.302 5 H THR 3 H THR 3 -0.975 -0.963 2.472 6 HA THR 3 HA THR 3 -3.775 -0.341 2.790 7 HB THR 3 HB THR 3 -2.615 1.957 3.469 8 HG1 THR 3 HG1 THR 3 -0.543 1.138 2.719 9 1HG2 THR 3 1HG2 THR 3 -3.789 0.322 4.979 10 2HG2 THR 3 2HG2 THR 3 -2.213 -0.419 5.254 11 3HG2 THR 3 3HG2 THR 3 -2.488 1.261 5.712 12 H ALA 4 H ALA 4 -4.838 1.474 1.870 13 HA ALA 4 HA ALA 4 -4.083 1.939 -0.880 14 1HB ALA 4 1HB ALA 4 -6.451 1.525 -0.049 15 2HB ALA 4 2HB ALA 4 -6.417 3.184 0.545 16 3HB ALA 4 3HB ALA 4 -6.228 2.861 -1.178 17 H SER 5 H SER 5 -2.095 2.986 0.473 18 HA SER 5 HA SER 5 -2.608 5.860 0.772 19 1HB SER 5 1HB SER 5 -0.354 5.912 1.847 20 2HB SER 5 2HB SER 5 -1.499 4.862 2.680 21 HG SER 5 HG SER 5 0.866 4.242 1.534 22 H ILE 6 H ILE 6 -0.878 7.331 -0.032 23 HA ILE 6 HA ILE 6 0.214 6.358 -2.592 24 HB ILE 6 HB ILE 6 -0.572 9.217 -2.096 25 1HG1 ILE 6 1HG1 ILE 6 -2.455 7.969 -3.808 26 2HG1 ILE 6 2HG1 ILE 6 -2.324 6.961 -2.370 27 1HG2 ILE 6 1HG2 ILE 6 0.873 8.012 -4.102 28 2HG2 ILE 6 2HG2 ILE 6 -0.748 8.135 -4.790 29 3HG2 ILE 6 3HG2 ILE 6 0.072 9.581 -4.200 30 1HD1 ILE 6 1HD1 ILE 6 -2.573 9.240 -1.119 31 2HD1 ILE 6 2HD1 ILE 6 -3.288 9.760 -2.645 32 3HD1 ILE 6 3HD1 ILE 6 -3.987 8.404 -1.760 33 HA PRO 7 HA PRO 7 1.803 5.675 -3.287 34 1HB PRO 7 1HB PRO 7 4.031 4.261 -2.755 35 2HB PRO 7 2HB PRO 7 4.057 5.698 -3.783 36 1HG PRO 7 1HG PRO 7 4.810 5.419 -0.899 37 2HG PRO 7 2HG PRO 7 5.639 6.307 -2.190 38 1HD PRO 7 1HD PRO 7 4.010 7.502 -0.359 39 2HD PRO 7 2HD PRO 7 4.250 8.123 -2.004 40 HA PRO 8 HA PRO 8 -0.132 2.677 -0.701 41 1HB PRO 8 1HB PRO 8 1.159 0.616 -2.416 42 2HB PRO 8 2HB PRO 8 -0.548 0.843 -2.020 43 1HG PRO 8 1HG PRO 8 0.390 1.515 -4.420 44 2HG PRO 8 2HG PRO 8 -0.834 2.509 -3.608 45 1HD PRO 8 1HD PRO 8 2.096 2.993 -3.928 46 2HD PRO 8 2HD PRO 8 0.750 4.151 -3.956 47 H GLN 9 H GLN 9 0.331 1.426 1.069 48 HA GLN 9 HA GLN 9 3.185 0.899 1.569 49 1HB GLN 9 1HB GLN 9 1.326 2.333 3.091 50 2HB GLN 9 2HB GLN 9 1.526 0.806 3.939 51 1HG GLN 9 1HG GLN 9 3.635 1.269 4.560 52 2HG GLN 9 2HG GLN 9 4.013 2.098 3.051 53 2HE2 GLN 9 2HE2 GLN 9 2.753 4.218 2.795 54 1HE2 GLN 9 1HE2 GLN 9 2.733 5.247 4.182 55 H CYS 10 H CYS 10 3.846 -1.096 2.218 56 HA CYS 10 HA CYS 10 1.804 -3.153 2.670 57 1HB CYS 10 1HB CYS 10 4.197 -3.517 0.855 58 2HB CYS 10 2HB CYS 10 2.967 -4.723 1.219 59 H TYR 11 H TYR 11 2.183 -3.662 4.738 60 HA TYR 11 HA TYR 11 4.928 -3.858 5.710 61 1HB TYR 11 1HB TYR 11 2.258 -3.526 6.952 62 2HB TYR 11 2HB TYR 11 3.432 -4.458 7.875 63 HD1 TYR 11 HD1 TYR 11 4.499 -1.747 5.653 64 HD2 TYR 11 HD2 TYR 11 3.527 -2.813 9.656 65 HE1 TYR 11 HE1 TYR 11 5.520 0.343 6.452 66 HE2 TYR 11 HE2 TYR 11 4.544 -0.726 10.465 67 HH TYR 11 HH TYR 11 6.252 1.454 8.283 No H/Q in entry = 67 Start of MODEL 13 1 H CYS 2 H CYS 2 -2.810 -4.846 1.528 2 HA CYS 2 HA CYS 2 -0.488 -3.073 1.817 3 1HB CYS 2 1HB CYS 2 -2.071 -3.568 -0.707 4 2HB CYS 2 2HB CYS 2 -1.044 -2.156 -0.484 5 H THR 3 H THR 3 -0.968 -0.871 2.013 6 HA THR 3 HA THR 3 -3.738 -0.334 2.806 7 HB THR 3 HB THR 3 -2.524 1.856 3.653 8 HG1 THR 3 HG1 THR 3 -0.370 0.105 3.957 9 1HG2 THR 3 1HG2 THR 3 -3.430 -0.282 4.949 10 2HG2 THR 3 2HG2 THR 3 -1.707 -0.474 5.271 11 3HG2 THR 3 3HG2 THR 3 -2.534 1.011 5.745 12 H ALA 4 H ALA 4 -4.975 1.224 1.867 13 HA ALA 4 HA ALA 4 -4.361 2.011 -0.784 14 1HB ALA 4 1HB ALA 4 -6.579 2.605 1.123 15 2HB ALA 4 2HB ALA 4 -6.626 1.781 -0.435 16 3HB ALA 4 3HB ALA 4 -6.438 3.532 -0.370 17 H SER 5 H SER 5 -2.197 2.935 0.236 18 HA SER 5 HA SER 5 -2.598 5.810 0.738 19 1HB SER 5 1HB SER 5 -0.058 5.495 1.495 20 2HB SER 5 2HB SER 5 -1.400 5.180 2.593 21 HG SER 5 HG SER 5 -1.062 3.070 2.436 22 H ILE 6 H ILE 6 -0.869 7.233 -0.122 23 HA ILE 6 HA ILE 6 0.230 6.216 -2.658 24 HB ILE 6 HB ILE 6 -0.777 9.031 -2.313 25 1HG1 ILE 6 1HG1 ILE 6 -2.415 7.327 -4.009 26 2HG1 ILE 6 2HG1 ILE 6 -2.390 6.757 -2.343 27 1HG2 ILE 6 1HG2 ILE 6 0.870 8.610 -4.088 28 2HG2 ILE 6 2HG2 ILE 6 -0.202 7.390 -4.775 29 3HG2 ILE 6 3HG2 ILE 6 -0.703 9.080 -4.736 30 1HD1 ILE 6 1HD1 ILE 6 -2.899 9.230 -1.763 31 2HD1 ILE 6 2HD1 ILE 6 -3.412 9.330 -3.447 32 3HD1 ILE 6 3HD1 ILE 6 -4.191 8.185 -2.355 33 HA PRO 7 HA PRO 7 1.877 5.604 -3.305 34 1HB PRO 7 1HB PRO 7 4.171 4.357 -2.637 35 2HB PRO 7 2HB PRO 7 4.136 5.725 -3.757 36 1HG PRO 7 1HG PRO 7 4.836 5.677 -0.845 37 2HG PRO 7 2HG PRO 7 5.644 6.526 -2.176 38 1HD PRO 7 1HD PRO 7 3.911 7.745 -0.464 39 2HD PRO 7 2HD PRO 7 4.140 8.262 -2.146 40 HA PRO 8 HA PRO 8 0.058 2.716 -0.512 41 1HB PRO 8 1HB PRO 8 1.217 0.585 -2.221 42 2HB PRO 8 2HB PRO 8 -0.469 0.890 -1.788 43 1HG PRO 8 1HG PRO 8 0.443 1.443 -4.236 44 2HG PRO 8 2HG PRO 8 -0.743 2.491 -3.437 45 1HD PRO 8 1HD PRO 8 2.196 2.891 -3.808 46 2HD PRO 8 2HD PRO 8 0.877 4.078 -3.888 47 H GLN 9 H GLN 9 0.614 1.514 1.255 48 HA GLN 9 HA GLN 9 3.463 0.813 1.541 49 1HB GLN 9 1HB GLN 9 1.858 2.547 3.130 50 2HB GLN 9 2HB GLN 9 2.236 1.129 4.098 51 1HG GLN 9 1HG GLN 9 4.636 1.805 2.873 52 2HG GLN 9 2HG GLN 9 3.914 3.344 3.339 53 2HE2 GLN 9 2HE2 GLN 9 2.852 3.156 5.632 54 1HE2 GLN 9 1HE2 GLN 9 3.890 2.493 6.844 55 H CYS 10 H CYS 10 3.752 -1.308 1.585 56 HA CYS 10 HA CYS 10 1.653 -2.991 2.790 57 1HB CYS 10 1HB CYS 10 3.648 -3.978 0.765 58 2HB CYS 10 2HB CYS 10 2.109 -4.695 1.229 59 H TYR 11 H TYR 11 2.948 -2.347 4.781 60 HA TYR 11 HA TYR 11 5.395 -3.924 5.087 61 1HB TYR 11 1HB TYR 11 4.679 -1.387 5.986 62 2HB TYR 11 2HB TYR 11 4.581 -2.397 7.425 63 HD1 TYR 11 HD1 TYR 11 6.907 -2.317 4.496 64 HD2 TYR 11 HD2 TYR 11 6.467 -2.132 8.723 65 HE1 TYR 11 HE1 TYR 11 9.351 -2.196 4.739 66 HE2 TYR 11 HE2 TYR 11 8.909 -2.009 8.979 67 HH TYR 11 HH TYR 11 11.030 -2.886 6.824 No H/Q in entry = 67 Start of MODEL 14 1 H CYS 2 H CYS 2 -1.734 -4.052 -0.497 2 HA CYS 2 HA CYS 2 -0.296 -2.945 1.808 3 1HB CYS 2 1HB CYS 2 -0.432 -2.182 -1.098 4 2HB CYS 2 2HB CYS 2 0.160 -1.047 0.112 5 H THR 3 H THR 3 -0.802 -0.798 2.550 6 HA THR 3 HA THR 3 -3.551 -0.397 2.997 7 HB THR 3 HB THR 3 -2.891 1.697 4.072 8 HG1 THR 3 HG1 THR 3 -0.602 2.227 3.986 9 1HG2 THR 3 1HG2 THR 3 -2.174 -0.706 4.980 10 2HG2 THR 3 2HG2 THR 3 -0.579 0.027 4.816 11 3HG2 THR 3 3HG2 THR 3 -1.804 0.796 5.825 12 H ALA 4 H ALA 4 -4.860 1.442 2.393 13 HA ALA 4 HA ALA 4 -4.626 2.023 -0.423 14 1HB ALA 4 1HB ALA 4 -6.783 1.518 0.852 15 2HB ALA 4 2HB ALA 4 -6.688 3.183 1.424 16 3HB ALA 4 3HB ALA 4 -6.813 2.851 -0.302 17 H SER 5 H SER 5 -2.446 3.126 0.441 18 HA SER 5 HA SER 5 -3.034 6.008 0.547 19 1HB SER 5 1HB SER 5 -1.022 6.309 1.967 20 2HB SER 5 2HB SER 5 -2.256 5.326 2.756 21 HG SER 5 HG SER 5 -0.476 4.150 3.046 22 H ILE 6 H ILE 6 -1.221 7.361 -0.245 23 HA ILE 6 HA ILE 6 0.236 5.981 -2.400 24 HB ILE 6 HB ILE 6 -0.565 8.885 -2.425 25 1HG1 ILE 6 1HG1 ILE 6 -2.045 7.362 -4.322 26 2HG1 ILE 6 2HG1 ILE 6 -2.232 6.588 -2.752 27 1HG2 ILE 6 1HG2 ILE 6 1.204 7.387 -3.991 28 2HG2 ILE 6 2HG2 ILE 6 -0.236 7.619 -4.983 29 3HG2 ILE 6 3HG2 ILE 6 0.604 9.015 -4.307 30 1HD1 ILE 6 1HD1 ILE 6 -2.618 9.181 -2.091 31 2HD1 ILE 6 2HD1 ILE 6 -3.263 9.147 -3.733 32 3HD1 ILE 6 3HD1 ILE 6 -3.906 8.050 -2.509 33 HA PRO 7 HA PRO 7 1.899 5.624 -3.282 34 1HB PRO 7 1HB PRO 7 4.219 4.342 -2.842 35 2HB PRO 7 2HB PRO 7 4.157 5.884 -3.704 36 1HG PRO 7 1HG PRO 7 4.874 5.336 -0.851 37 2HG PRO 7 2HG PRO 7 5.651 6.432 -2.010 38 1HD PRO 7 1HD PRO 7 3.878 7.255 -0.093 39 2HD PRO 7 2HD PRO 7 4.132 8.105 -1.629 40 HA PRO 8 HA PRO 8 0.123 2.327 -0.945 41 1HB PRO 8 1HB PRO 8 1.315 0.520 -2.983 42 2HB PRO 8 2HB PRO 8 -0.368 0.687 -2.473 43 1HG PRO 8 1HG PRO 8 0.450 1.657 -4.817 44 2HG PRO 8 2HG PRO 8 -0.734 2.533 -3.828 45 1HD PRO 8 1HD PRO 8 2.182 3.069 -4.215 46 2HD PRO 8 2HD PRO 8 0.835 4.214 -4.057 47 H GLN 9 H GLN 9 0.854 1.348 0.830 48 HA GLN 9 HA GLN 9 3.537 0.140 0.778 49 1HB GLN 9 1HB GLN 9 2.879 2.432 2.180 50 2HB GLN 9 2HB GLN 9 2.744 1.166 3.393 51 1HG GLN 9 1HG GLN 9 4.983 0.594 3.230 52 2HG GLN 9 2HG GLN 9 5.160 1.340 1.643 53 2HE2 GLN 9 2HE2 GLN 9 4.875 1.938 5.076 54 1HE2 GLN 9 1HE2 GLN 9 5.531 3.536 5.049 55 H CYS 10 H CYS 10 3.878 -1.537 2.390 56 HA CYS 10 HA CYS 10 1.371 -2.824 3.250 57 1HB CYS 10 1HB CYS 10 3.737 -3.971 1.820 58 2HB CYS 10 2HB CYS 10 2.829 -4.993 2.930 59 H TYR 11 H TYR 11 1.390 -3.895 5.223 60 HA TYR 11 HA TYR 11 3.592 -3.125 6.993 61 1HB TYR 11 1HB TYR 11 0.721 -3.869 7.437 62 2HB TYR 11 2HB TYR 11 1.874 -3.992 8.761 63 HD1 TYR 11 HD1 TYR 11 2.249 -1.394 6.215 64 HD2 TYR 11 HD2 TYR 11 0.686 -2.309 10.065 65 HE1 TYR 11 HE1 TYR 11 1.978 1.008 6.669 66 HE2 TYR 11 HE2 TYR 11 0.410 0.090 10.529 67 HH TYR 11 HH TYR 11 0.151 2.196 9.250 No H/Q in entry = 67 Start of MODEL 15 1 H CYS 2 H CYS 2 -2.191 -4.571 0.131 2 HA CYS 2 HA CYS 2 -0.459 -3.087 1.980 3 1HB CYS 2 1HB CYS 2 -0.969 -2.946 -0.954 4 2HB CYS 2 2HB CYS 2 -0.531 -1.457 -0.122 5 H THR 3 H THR 3 -0.936 -0.715 2.168 6 HA THR 3 HA THR 3 -3.753 -0.389 2.808 7 HB THR 3 HB THR 3 -2.921 1.800 3.808 8 HG1 THR 3 HG1 THR 3 -0.374 0.628 3.441 9 1HG2 THR 3 1HG2 THR 3 -2.766 -0.788 4.830 10 2HG2 THR 3 2HG2 THR 3 -1.232 -0.021 5.240 11 3HG2 THR 3 3HG2 THR 3 -2.751 0.728 5.731 12 H ALA 4 H ALA 4 -4.987 1.440 2.135 13 HA ALA 4 HA ALA 4 -4.570 2.108 -0.624 14 1HB ALA 4 1HB ALA 4 -6.696 2.666 1.393 15 2HB ALA 4 2HB ALA 4 -6.810 1.851 -0.166 16 3HB ALA 4 3HB ALA 4 -6.648 3.605 -0.098 17 H SER 5 H SER 5 -2.370 3.069 0.354 18 HA SER 5 HA SER 5 -2.807 5.963 0.700 19 1HB SER 5 1HB SER 5 -0.620 6.021 1.865 20 2HB SER 5 2HB SER 5 -1.785 4.985 2.689 21 HG SER 5 HG SER 5 -0.653 3.332 1.152 22 H ILE 6 H ILE 6 -1.032 7.333 -0.158 23 HA ILE 6 HA ILE 6 0.194 6.146 -2.559 24 HB ILE 6 HB ILE 6 -1.101 8.860 -2.311 25 1HG1 ILE 6 1HG1 ILE 6 -1.704 6.481 -4.084 26 2HG1 ILE 6 2HG1 ILE 6 -2.659 7.001 -2.699 27 1HG2 ILE 6 1HG2 ILE 6 1.030 8.931 -3.574 28 2HG2 ILE 6 2HG2 ILE 6 0.376 7.723 -4.679 29 3HG2 ILE 6 3HG2 ILE 6 -0.381 9.311 -4.561 30 1HD1 ILE 6 1HD1 ILE 6 -2.229 9.079 -4.710 31 2HD1 ILE 6 2HD1 ILE 6 -3.148 7.683 -5.276 32 3HD1 ILE 6 3HD1 ILE 6 -3.700 8.592 -3.869 33 HA PRO 7 HA PRO 7 1.852 5.638 -3.287 34 1HB PRO 7 1HB PRO 7 4.178 4.428 -2.672 35 2HB PRO 7 2HB PRO 7 4.107 5.832 -3.742 36 1HG PRO 7 1HG PRO 7 4.823 5.699 -0.839 37 2HG PRO 7 2HG PRO 7 5.599 6.618 -2.141 38 1HD PRO 7 1HD PRO 7 3.838 7.718 -0.371 39 2HD PRO 7 2HD PRO 7 4.060 8.317 -2.027 40 HA PRO 8 HA PRO 8 0.255 2.717 -0.370 41 1HB PRO 8 1HB PRO 8 0.163 0.510 -1.935 42 2HB PRO 8 2HB PRO 8 -0.953 1.866 -2.135 43 1HG PRO 8 1HG PRO 8 1.526 1.211 -3.680 44 2HG PRO 8 2HG PRO 8 -0.049 1.765 -4.276 45 1HD PRO 8 1HD PRO 8 2.077 3.426 -3.973 46 2HD PRO 8 2HD PRO 8 0.398 3.969 -3.780 47 H GLN 9 H GLN 9 1.109 1.461 1.181 48 HA GLN 9 HA GLN 9 3.603 0.012 0.601 49 1HB GLN 9 1HB GLN 9 3.388 2.256 2.250 50 2HB GLN 9 2HB GLN 9 3.442 0.893 3.358 51 1HG GLN 9 1HG GLN 9 5.642 0.911 3.150 52 2HG GLN 9 2HG GLN 9 5.430 0.367 1.487 53 2HE2 GLN 9 2HE2 GLN 9 4.837 3.463 3.111 54 1HE2 GLN 9 1HE2 GLN 9 5.821 4.405 2.049 55 H CYS 10 H CYS 10 4.036 -1.788 2.053 56 HA CYS 10 HA CYS 10 1.557 -2.926 3.171 57 1HB CYS 10 1HB CYS 10 3.695 -4.112 1.476 58 2HB CYS 10 2HB CYS 10 2.991 -5.139 2.720 59 H TYR 11 H TYR 11 2.024 -4.676 4.835 60 HA TYR 11 HA TYR 11 3.996 -3.610 6.721 61 1HB TYR 11 1HB TYR 11 1.341 -4.473 7.018 62 2HB TYR 11 2HB TYR 11 2.323 -5.708 7.799 63 HD1 TYR 11 HD1 TYR 11 4.058 -4.905 9.525 64 HD2 TYR 11 HD2 TYR 11 0.847 -2.485 8.134 65 HE1 TYR 11 HE1 TYR 11 4.286 -3.472 11.510 66 HE2 TYR 11 HE2 TYR 11 1.067 -1.045 10.116 67 HH TYR 11 HH TYR 11 3.097 -1.898 12.793 No H/Q in entry = 67 Start of MODEL 16 1 H CYS 2 H CYS 2 -2.217 -4.302 -0.135 2 HA CYS 2 HA CYS 2 -0.316 -3.124 1.768 3 1HB CYS 2 1HB CYS 2 -0.817 -2.781 -1.144 4 2HB CYS 2 2HB CYS 2 -0.271 -1.368 -0.249 5 H THR 3 H THR 3 -0.552 -0.793 2.223 6 HA THR 3 HA THR 3 -3.145 -0.209 3.187 7 HB THR 3 HB THR 3 -2.214 1.940 3.863 8 HG1 THR 3 HG1 THR 3 -0.909 2.009 1.786 9 1HG2 THR 3 1HG2 THR 3 -0.417 -0.420 4.256 10 2HG2 THR 3 2HG2 THR 3 -0.058 1.152 4.970 11 3HG2 THR 3 3HG2 THR 3 -1.551 0.313 5.389 12 H ALA 4 H ALA 4 -4.496 1.606 2.623 13 HA ALA 4 HA ALA 4 -4.667 1.946 -0.262 14 1HB ALA 4 1HB ALA 4 -6.538 2.523 2.010 15 2HB ALA 4 2HB ALA 4 -6.738 1.392 0.671 16 3HB ALA 4 3HB ALA 4 -6.843 3.129 0.382 17 H SER 5 H SER 5 -2.499 3.243 0.287 18 HA SER 5 HA SER 5 -3.256 6.050 0.048 19 1HB SER 5 1HB SER 5 -1.446 6.725 1.641 20 2HB SER 5 2HB SER 5 -2.784 5.874 2.412 21 HG SER 5 HG SER 5 -1.452 3.946 2.207 22 H ILE 6 H ILE 6 -1.565 7.382 -0.868 23 HA ILE 6 HA ILE 6 0.349 5.795 -2.446 24 HB ILE 6 HB ILE 6 -0.748 8.513 -3.159 25 1HG1 ILE 6 1HG1 ILE 6 -1.580 5.785 -4.173 26 2HG1 ILE 6 2HG1 ILE 6 -2.547 6.837 -3.144 27 1HG2 ILE 6 1HG2 ILE 6 1.518 7.415 -4.049 28 2HG2 ILE 6 2HG2 ILE 6 0.383 6.667 -5.173 29 3HG2 ILE 6 3HG2 ILE 6 0.482 8.424 -5.059 30 1HD1 ILE 6 1HD1 ILE 6 -1.595 7.724 -5.841 31 2HD1 ILE 6 2HD1 ILE 6 -3.077 6.790 -5.633 32 3HD1 ILE 6 3HD1 ILE 6 -2.915 8.369 -4.863 33 HA PRO 7 HA PRO 7 2.245 5.634 -3.225 34 1HB PRO 7 1HB PRO 7 4.485 4.607 -2.087 35 2HB PRO 7 2HB PRO 7 4.522 5.951 -3.234 36 1HG PRO 7 1HG PRO 7 4.654 6.008 -0.244 37 2HG PRO 7 2HG PRO 7 5.604 6.931 -1.424 38 1HD PRO 7 1HD PRO 7 3.487 7.991 -0.111 39 2HD PRO 7 2HD PRO 7 3.923 8.470 -1.763 40 HA PRO 8 HA PRO 8 0.313 2.605 -0.633 41 1HB PRO 8 1HB PRO 8 0.554 0.439 -2.228 42 2HB PRO 8 2HB PRO 8 -0.555 1.765 -2.596 43 1HG PRO 8 1HG PRO 8 2.168 1.210 -3.708 44 2HG PRO 8 2HG PRO 8 0.698 1.731 -4.554 45 1HD PRO 8 1HD PRO 8 2.699 3.441 -3.859 46 2HD PRO 8 2HD PRO 8 0.998 3.935 -3.977 47 H GLN 9 H GLN 9 1.007 1.435 1.048 48 HA GLN 9 HA GLN 9 3.590 0.040 0.826 49 1HB GLN 9 1HB GLN 9 4.101 0.670 3.141 50 2HB GLN 9 2HB GLN 9 3.916 2.088 2.118 51 1HG GLN 9 1HG GLN 9 2.197 2.860 3.307 52 2HG GLN 9 2HG GLN 9 1.437 1.274 3.409 53 2HE2 GLN 9 2HE2 GLN 9 2.529 -0.263 4.939 54 1HE2 GLN 9 1HE2 GLN 9 3.075 0.386 6.445 55 H CYS 10 H CYS 10 3.829 -1.839 2.113 56 HA CYS 10 HA CYS 10 1.260 -3.004 2.959 57 1HB CYS 10 1HB CYS 10 3.634 -4.127 1.560 58 2HB CYS 10 2HB CYS 10 2.792 -5.183 2.689 59 H TYR 11 H TYR 11 1.000 -3.538 5.027 60 HA TYR 11 HA TYR 11 3.308 -3.318 6.815 61 1HB TYR 11 1HB TYR 11 0.664 -2.408 6.998 62 2HB TYR 11 2HB TYR 11 0.776 -3.728 8.158 63 HD1 TYR 11 HD1 TYR 11 2.557 -3.629 9.940 64 HD2 TYR 11 HD2 TYR 11 1.631 -0.304 7.453 65 HE1 TYR 11 HE1 TYR 11 3.655 -2.128 11.548 66 HE2 TYR 11 HE2 TYR 11 2.726 1.207 9.054 67 HH TYR 11 HH TYR 11 4.229 -0.040 12.024 No H/Q in entry = 67 Start of MODEL 17 1 H CYS 2 H CYS 2 -1.740 -4.640 0.774 2 HA CYS 2 HA CYS 2 -0.279 -2.488 2.134 3 1HB CYS 2 1HB CYS 2 -1.068 -2.936 -0.735 4 2HB CYS 2 2HB CYS 2 -0.582 -1.345 -0.158 5 H THR 3 H THR 3 -1.209 -0.373 2.257 6 HA THR 3 HA THR 3 -4.130 -0.464 2.516 7 HB THR 3 HB THR 3 -3.960 1.296 4.095 8 HG1 THR 3 HG1 THR 3 -2.527 2.777 3.811 9 1HG2 THR 3 1HG2 THR 3 -2.768 -1.043 4.636 10 2HG2 THR 3 2HG2 THR 3 -1.416 0.061 4.892 11 3HG2 THR 3 3HG2 THR 3 -2.914 0.276 5.798 12 H ALA 4 H ALA 4 -5.399 1.352 1.821 13 HA ALA 4 HA ALA 4 -4.757 2.228 -0.784 14 1HB ALA 4 1HB ALA 4 -7.061 1.921 0.023 15 2HB ALA 4 2HB ALA 4 -6.863 3.319 1.080 16 3HB ALA 4 3HB ALA 4 -6.804 3.522 -0.671 17 H SER 5 H SER 5 -2.549 3.030 0.207 18 HA SER 5 HA SER 5 -2.828 5.916 0.737 19 1HB SER 5 1HB SER 5 -0.651 5.781 1.918 20 2HB SER 5 2HB SER 5 -1.884 4.773 2.674 21 HG SER 5 HG SER 5 0.445 4.054 1.371 22 H ILE 6 H ILE 6 -1.005 7.245 -0.047 23 HA ILE 6 HA ILE 6 0.248 6.114 -2.459 24 HB ILE 6 HB ILE 6 -0.845 8.919 -2.251 25 1HG1 ILE 6 1HG1 ILE 6 -2.203 7.484 -4.251 26 2HG1 ILE 6 2HG1 ILE 6 -2.171 6.421 -2.846 27 1HG2 ILE 6 1HG2 ILE 6 1.137 8.017 -3.858 28 2HG2 ILE 6 2HG2 ILE 6 -0.276 7.711 -4.867 29 3HG2 ILE 6 3HG2 ILE 6 0.047 9.340 -4.271 30 1HD1 ILE 6 1HD1 ILE 6 -2.981 9.266 -2.505 31 2HD1 ILE 6 2HD1 ILE 6 -4.122 8.107 -3.185 32 3HD1 ILE 6 3HD1 ILE 6 -3.448 7.841 -1.578 33 HA PRO 7 HA PRO 7 1.924 5.668 -3.214 34 1HB PRO 7 1HB PRO 7 4.248 4.446 -2.618 35 2HB PRO 7 2HB PRO 7 4.185 5.899 -3.623 36 1HG PRO 7 1HG PRO 7 4.851 5.633 -0.717 37 2HG PRO 7 2HG PRO 7 5.647 6.614 -1.962 38 1HD PRO 7 1HD PRO 7 3.851 7.628 -0.177 39 2HD PRO 7 2HD PRO 7 4.094 8.299 -1.802 40 HA PRO 8 HA PRO 8 0.303 2.591 -0.480 41 1HB PRO 8 1HB PRO 8 0.335 0.440 -2.128 42 2HB PRO 8 2HB PRO 8 -0.816 1.769 -2.314 43 1HG PRO 8 1HG PRO 8 1.733 1.249 -3.795 44 2HG PRO 8 2HG PRO 8 0.162 1.779 -4.424 45 1HD PRO 8 1HD PRO 8 2.221 3.490 -3.989 46 2HD PRO 8 2HD PRO 8 0.521 3.973 -3.823 47 H GLN 9 H GLN 9 1.194 1.418 1.101 48 HA GLN 9 HA GLN 9 3.727 0.018 0.555 49 1HB GLN 9 1HB GLN 9 3.224 2.141 2.411 50 2HB GLN 9 2HB GLN 9 3.612 0.680 3.310 51 1HG GLN 9 1HG GLN 9 5.702 1.508 3.016 52 2HG GLN 9 2HG GLN 9 5.571 0.536 1.552 53 2HE2 GLN 9 2HE2 GLN 9 6.920 3.180 2.443 54 1HE2 GLN 9 1HE2 GLN 9 6.608 4.235 1.111 55 H CYS 10 H CYS 10 4.165 -1.808 1.978 56 HA CYS 10 HA CYS 10 1.703 -3.026 3.045 57 1HB CYS 10 1HB CYS 10 3.763 -4.121 1.199 58 2HB CYS 10 2HB CYS 10 3.093 -5.217 2.403 59 H TYR 11 H TYR 11 2.194 -4.845 4.604 60 HA TYR 11 HA TYR 11 4.264 -3.922 6.457 61 1HB TYR 11 1HB TYR 11 1.697 -5.410 6.745 62 2HB TYR 11 2HB TYR 11 2.966 -5.729 7.923 63 HD1 TYR 11 HD1 TYR 11 2.787 -2.412 6.451 64 HD2 TYR 11 HD2 TYR 11 1.482 -4.843 9.690 65 HE1 TYR 11 HE1 TYR 11 2.135 -0.394 7.696 66 HE2 TYR 11 HE2 TYR 11 0.825 -2.832 10.943 67 HH TYR 11 HH TYR 11 1.570 0.391 9.768 No H/Q in entry = 67 Start of MODEL 18 1 H CYS 2 H CYS 2 -2.095 -4.440 0.294 2 HA CYS 2 HA CYS 2 -0.256 -2.777 1.861 3 1HB CYS 2 1HB CYS 2 -0.994 -2.930 -1.017 4 2HB CYS 2 2HB CYS 2 -0.565 -1.347 -0.377 5 H THR 3 H THR 3 -0.781 -0.674 2.471 6 HA THR 3 HA THR 3 -3.539 -0.242 3.082 7 HB THR 3 HB THR 3 -2.796 1.768 4.196 8 HG1 THR 3 HG1 THR 3 -0.509 1.413 2.605 9 1HG2 THR 3 1HG2 THR 3 -1.987 -0.654 4.981 10 2HG2 THR 3 2HG2 THR 3 -0.420 0.123 4.758 11 3HG2 THR 3 3HG2 THR 3 -1.606 0.829 5.856 12 H ALA 4 H ALA 4 -4.970 1.211 2.226 13 HA ALA 4 HA ALA 4 -4.638 1.930 -0.498 14 1HB ALA 4 1HB ALA 4 -6.789 1.530 1.061 15 2HB ALA 4 2HB ALA 4 -6.746 3.293 1.054 16 3HB ALA 4 3HB ALA 4 -6.846 2.407 -0.468 17 H SER 5 H SER 5 -2.504 3.086 0.176 18 HA SER 5 HA SER 5 -3.114 5.951 0.271 19 1HB SER 5 1HB SER 5 -1.063 6.252 1.737 20 2HB SER 5 2HB SER 5 -2.461 5.521 2.525 21 HG SER 5 HG SER 5 -1.360 3.751 2.806 22 H ILE 6 H ILE 6 -1.391 7.303 -0.582 23 HA ILE 6 HA ILE 6 0.365 5.845 -2.447 24 HB ILE 6 HB ILE 6 -0.836 8.563 -2.959 25 1HG1 ILE 6 1HG1 ILE 6 -1.957 6.831 -4.786 26 2HG1 ILE 6 2HG1 ILE 6 -1.952 5.876 -3.307 27 1HG2 ILE 6 1HG2 ILE 6 1.359 7.438 -4.075 28 2HG2 ILE 6 2HG2 ILE 6 0.099 6.875 -5.172 29 3HG2 ILE 6 3HG2 ILE 6 0.314 8.601 -4.890 30 1HD1 ILE 6 1HD1 ILE 6 -2.942 8.651 -3.103 31 2HD1 ILE 6 2HD1 ILE 6 -3.947 7.494 -3.976 32 3HD1 ILE 6 3HD1 ILE 6 -3.496 7.181 -2.300 33 HA PRO 7 HA PRO 7 2.244 5.670 -3.231 34 1HB PRO 7 1HB PRO 7 4.498 4.643 -2.111 35 2HB PRO 7 2HB PRO 7 4.521 5.972 -3.276 36 1HG PRO 7 1HG PRO 7 4.697 6.068 -0.289 37 2HG PRO 7 2HG PRO 7 5.633 6.971 -1.495 38 1HD PRO 7 1HD PRO 7 3.547 8.064 -0.168 39 2HD PRO 7 2HD PRO 7 3.945 8.505 -1.842 40 HA PRO 8 HA PRO 8 0.349 2.653 -0.602 41 1HB PRO 8 1HB PRO 8 0.560 0.481 -2.191 42 2HB PRO 8 2HB PRO 8 -0.547 1.811 -2.551 43 1HG PRO 8 1HG PRO 8 2.159 1.236 -3.693 44 2HG PRO 8 2HG PRO 8 0.683 1.763 -4.524 45 1HD PRO 8 1HD PRO 8 2.704 3.462 -3.856 46 2HD PRO 8 2HD PRO 8 1.006 3.967 -3.964 47 H GLN 9 H GLN 9 1.047 1.462 1.065 48 HA GLN 9 HA GLN 9 3.653 0.109 0.831 49 1HB GLN 9 1HB GLN 9 3.947 2.095 2.194 50 2HB GLN 9 2HB GLN 9 2.579 1.647 3.201 51 1HG GLN 9 1HG GLN 9 4.198 0.869 4.550 52 2HG GLN 9 2HG GLN 9 4.078 -0.546 3.506 53 2HE2 GLN 9 2HE2 GLN 9 5.298 0.891 1.252 54 1HE2 GLN 9 1HE2 GLN 9 6.988 0.963 1.604 55 H CYS 10 H CYS 10 3.889 -1.842 1.957 56 HA CYS 10 HA CYS 10 1.343 -3.062 2.791 57 1HB CYS 10 1HB CYS 10 3.693 -4.090 1.284 58 2HB CYS 10 2HB CYS 10 2.868 -5.213 2.359 59 H TYR 11 H TYR 11 1.695 -4.958 4.341 60 HA TYR 11 HA TYR 11 3.266 -3.953 6.584 61 1HB TYR 11 1HB TYR 11 0.752 -5.197 6.354 62 2HB TYR 11 2HB TYR 11 1.790 -6.363 7.167 63 HD1 TYR 11 HD1 TYR 11 0.468 -2.910 7.347 64 HD2 TYR 11 HD2 TYR 11 2.427 -6.061 9.427 65 HE1 TYR 11 HE1 TYR 11 0.160 -1.696 9.463 66 HE2 TYR 11 HE2 TYR 11 2.125 -4.857 11.549 67 HH TYR 11 HH TYR 11 0.215 -2.906 12.302 No H/Q in entry = 67 Start of MODEL 19 1 H CYS 2 H CYS 2 -1.739 -4.072 -0.431 2 HA CYS 2 HA CYS 2 -0.376 -2.825 1.844 3 1HB CYS 2 1HB CYS 2 -0.730 -1.930 -1.022 4 2HB CYS 2 2HB CYS 2 0.048 -0.957 0.221 5 H THR 3 H THR 3 -1.014 -0.625 2.462 6 HA THR 3 HA THR 3 -3.865 -0.468 2.809 7 HB THR 3 HB THR 3 -3.449 1.119 4.436 8 HG1 THR 3 HG1 THR 3 -1.279 1.888 2.817 9 1HG2 THR 3 1HG2 THR 3 -1.544 -0.957 4.342 10 2HG2 THR 3 2HG2 THR 3 -0.712 0.506 4.871 11 3HG2 THR 3 3HG2 THR 3 -2.132 -0.067 5.747 12 H ALA 4 H ALA 4 -5.199 1.292 2.192 13 HA ALA 4 HA ALA 4 -4.818 2.174 -0.461 14 1HB ALA 4 1HB ALA 4 -6.827 2.632 1.663 15 2HB ALA 4 2HB ALA 4 -7.039 2.103 -0.006 16 3HB ALA 4 3HB ALA 4 -6.763 3.808 0.351 17 H SER 5 H SER 5 -2.536 3.003 0.280 18 HA SER 5 HA SER 5 -2.794 5.908 0.671 19 1HB SER 5 1HB SER 5 -0.497 5.719 1.830 20 2HB SER 5 2HB SER 5 -1.918 5.213 2.743 21 HG SER 5 HG SER 5 -0.334 3.642 2.939 22 H ILE 6 H ILE 6 -1.208 7.197 -0.366 23 HA ILE 6 HA ILE 6 0.291 5.798 -2.483 24 HB ILE 6 HB ILE 6 -0.844 8.569 -2.792 25 1HG1 ILE 6 1HG1 ILE 6 -2.230 6.597 -4.364 26 2HG1 ILE 6 2HG1 ILE 6 -2.323 6.165 -2.659 27 1HG2 ILE 6 1HG2 ILE 6 1.028 7.926 -4.249 28 2HG2 ILE 6 2HG2 ILE 6 0.096 6.542 -4.817 29 3HG2 ILE 6 3HG2 ILE 6 -0.463 8.180 -5.155 30 1HD1 ILE 6 1HD1 ILE 6 -2.852 8.893 -2.737 31 2HD1 ILE 6 2HD1 ILE 6 -3.718 8.213 -4.114 32 3HD1 ILE 6 3HD1 ILE 6 -4.010 7.586 -2.492 33 HA PRO 7 HA PRO 7 2.079 5.556 -3.375 34 1HB PRO 7 1HB PRO 7 4.412 4.486 -2.494 35 2HB PRO 7 2HB PRO 7 4.346 5.828 -3.643 36 1HG PRO 7 1HG PRO 7 4.814 5.887 -0.687 37 2HG PRO 7 2HG PRO 7 5.646 6.787 -1.970 38 1HD PRO 7 1HD PRO 7 3.713 7.898 -0.435 39 2HD PRO 7 2HD PRO 7 3.966 8.358 -2.131 40 HA PRO 8 HA PRO 8 0.255 2.504 -0.758 41 1HB PRO 8 1HB PRO 8 1.483 0.496 -2.557 42 2HB PRO 8 2HB PRO 8 -0.219 0.765 -2.165 43 1HG PRO 8 1HG PRO 8 0.775 1.456 -4.548 44 2HG PRO 8 2HG PRO 8 -0.455 2.445 -3.739 45 1HD PRO 8 1HD PRO 8 2.494 2.895 -3.965 46 2HD PRO 8 2HD PRO 8 1.164 4.068 -4.056 47 H GLN 9 H GLN 9 0.814 1.205 0.940 48 HA GLN 9 HA GLN 9 3.617 0.351 1.150 49 1HB GLN 9 1HB GLN 9 3.304 0.923 3.681 50 2HB GLN 9 2HB GLN 9 3.730 2.194 2.542 51 1HG GLN 9 1HG GLN 9 0.925 2.081 2.586 52 2HG GLN 9 2HG GLN 9 1.458 1.984 4.264 53 2HE2 GLN 9 2HE2 GLN 9 3.235 3.597 4.808 54 1HE2 GLN 9 1HE2 GLN 9 3.009 5.206 4.218 55 H CYS 10 H CYS 10 3.976 -1.566 2.220 56 HA CYS 10 HA CYS 10 1.582 -3.015 3.140 57 1HB CYS 10 1HB CYS 10 3.701 -3.826 1.217 58 2HB CYS 10 2HB CYS 10 3.099 -5.060 2.319 59 H TYR 11 H TYR 11 1.831 -2.938 5.305 60 HA TYR 11 HA TYR 11 4.169 -4.288 6.418 61 1HB TYR 11 1HB TYR 11 4.794 -2.589 7.880 62 2HB TYR 11 2HB TYR 11 4.408 -1.696 6.413 63 HD1 TYR 11 HD1 TYR 11 2.935 -2.784 9.655 64 HD2 TYR 11 HD2 TYR 11 2.860 0.049 6.483 65 HE1 TYR 11 HE1 TYR 11 1.328 -1.418 10.921 66 HE2 TYR 11 HE2 TYR 11 1.255 1.424 7.740 67 HH TYR 11 HH TYR 11 0.668 1.077 10.967 No H/Q in entry = 67 Start of MODEL 20 1 H CYS 2 H CYS 2 -2.538 -4.163 0.373 2 HA CYS 2 HA CYS 2 -0.372 -2.988 1.965 3 1HB CYS 2 1HB CYS 2 -1.059 -1.950 -0.782 4 2HB CYS 2 2HB CYS 2 0.323 -1.531 0.224 5 H THR 3 H THR 3 -0.697 -0.629 2.325 6 HA THR 3 HA THR 3 -3.425 -0.155 3.106 7 HB THR 3 HB THR 3 -2.245 2.179 3.678 8 HG1 THR 3 HG1 THR 3 -0.150 2.105 3.624 9 1HG2 THR 3 1HG2 THR 3 -2.896 -0.060 5.141 10 2HG2 THR 3 2HG2 THR 3 -1.193 0.206 5.515 11 3HG2 THR 3 3HG2 THR 3 -2.366 1.495 5.782 12 H ALA 4 H ALA 4 -4.891 1.187 2.197 13 HA ALA 4 HA ALA 4 -4.601 1.923 -0.515 14 1HB ALA 4 1HB ALA 4 -6.749 1.410 0.761 15 2HB ALA 4 2HB ALA 4 -6.667 3.075 1.337 16 3HB ALA 4 3HB ALA 4 -6.797 2.745 -0.391 17 H SER 5 H SER 5 -2.467 3.091 0.045 18 HA SER 5 HA SER 5 -3.075 5.954 0.172 19 1HB SER 5 1HB SER 5 -0.987 6.273 1.567 20 2HB SER 5 2HB SER 5 -2.338 5.506 2.403 21 HG SER 5 HG SER 5 -1.219 3.723 2.578 22 H ILE 6 H ILE 6 -1.280 7.301 -0.652 23 HA ILE 6 HA ILE 6 0.366 5.848 -2.617 24 HB ILE 6 HB ILE 6 -1.106 8.452 -3.000 25 1HG1 ILE 6 1HG1 ILE 6 -1.324 5.691 -4.173 26 2HG1 ILE 6 2HG1 ILE 6 -2.590 6.691 -3.466 27 1HG2 ILE 6 1HG2 ILE 6 0.959 7.146 -4.765 28 2HG2 ILE 6 2HG2 ILE 6 -0.069 8.497 -5.245 29 3HG2 ILE 6 3HG2 ILE 6 1.099 8.698 -3.940 30 1HD1 ILE 6 1HD1 ILE 6 -1.194 7.399 -6.027 31 2HD1 ILE 6 2HD1 ILE 6 -2.655 6.415 -5.962 32 3HD1 ILE 6 3HD1 ILE 6 -2.685 8.076 -5.372 33 HA PRO 7 HA PRO 7 2.211 5.488 -3.219 34 1HB PRO 7 1HB PRO 7 4.437 4.484 -2.041 35 2HB PRO 7 2HB PRO 7 4.497 5.736 -3.287 36 1HG PRO 7 1HG PRO 7 4.677 6.015 -0.311 37 2HG PRO 7 2HG PRO 7 5.641 6.811 -1.569 38 1HD PRO 7 1HD PRO 7 3.578 8.039 -0.317 39 2HD PRO 7 2HD PRO 7 4.010 8.380 -2.004 40 HA PRO 8 HA PRO 8 0.213 2.732 -0.391 41 1HB PRO 8 1HB PRO 8 0.511 0.405 -1.747 42 2HB PRO 8 2HB PRO 8 -0.614 1.669 -2.256 43 1HG PRO 8 1HG PRO 8 2.130 1.051 -3.279 44 2HG PRO 8 2HG PRO 8 0.664 1.461 -4.188 45 1HD PRO 8 1HD PRO 8 2.620 3.266 -3.666 46 2HD PRO 8 2HD PRO 8 0.909 3.719 -3.809 47 H GLN 9 H GLN 9 0.754 1.500 1.336 48 HA GLN 9 HA GLN 9 3.526 0.507 1.466 49 1HB GLN 9 1HB GLN 9 1.846 1.991 3.393 50 2HB GLN 9 2HB GLN 9 2.804 0.681 4.072 51 1HG GLN 9 1HG GLN 9 4.425 2.195 4.230 52 2HG GLN 9 2HG GLN 9 4.629 1.952 2.496 53 2HE2 GLN 9 2HE2 GLN 9 4.537 3.690 1.269 54 1HE2 GLN 9 1HE2 GLN 9 3.818 5.202 1.698 55 H CYS 10 H CYS 10 3.861 -1.588 1.918 56 HA CYS 10 HA CYS 10 1.524 -3.209 2.690 57 1HB CYS 10 1HB CYS 10 3.804 -4.428 1.198 58 2HB CYS 10 2HB CYS 10 2.101 -4.871 1.197 59 H TYR 11 H TYR 11 1.767 -3.678 4.783 60 HA TYR 11 HA TYR 11 4.234 -5.011 5.613 61 1HB TYR 11 1HB TYR 11 3.164 -2.463 6.722 62 2HB TYR 11 2HB TYR 11 3.828 -3.629 7.860 63 HD1 TYR 11 HD1 TYR 11 6.214 -4.442 7.480 64 HD2 TYR 11 HD2 TYR 11 4.578 -1.062 5.481 65 HE1 TYR 11 HE1 TYR 11 8.486 -3.651 6.970 66 HE2 TYR 11 HE2 TYR 11 6.844 -0.261 4.965 67 HH TYR 11 HH TYR 11 9.708 -2.153 5.856 No H/Q in entry = 67 Start of MODEL 21 1 H CYS 2 H CYS 2 -1.865 -4.556 0.486 2 HA CYS 2 HA CYS 2 -0.167 -2.634 1.916 3 1HB CYS 2 1HB CYS 2 -0.966 -2.985 -0.928 4 2HB CYS 2 2HB CYS 2 -0.710 -1.338 -0.361 5 H THR 3 H THR 3 -0.913 -0.436 2.160 6 HA THR 3 HA THR 3 -3.747 -0.348 2.824 7 HB THR 3 HB THR 3 -3.112 1.875 3.853 8 HG1 THR 3 HG1 THR 3 -1.239 2.269 2.642 9 1HG2 THR 3 1HG2 THR 3 -3.140 -0.297 5.128 10 2HG2 THR 3 2HG2 THR 3 -1.393 -0.352 4.892 11 3HG2 THR 3 3HG2 THR 3 -2.119 0.983 5.788 12 H ALA 4 H ALA 4 -5.063 1.507 2.236 13 HA ALA 4 HA ALA 4 -4.773 2.147 -0.551 14 1HB ALA 4 1HB ALA 4 -6.892 2.078 1.341 15 2HB ALA 4 2HB ALA 4 -6.983 2.256 -0.410 16 3HB ALA 4 3HB ALA 4 -6.849 3.685 0.615 17 H SER 5 H SER 5 -2.601 3.226 0.129 18 HA SER 5 HA SER 5 -3.117 6.104 0.225 19 1HB SER 5 1HB SER 5 -1.063 6.307 1.750 20 2HB SER 5 2HB SER 5 -2.556 5.737 2.495 21 HG SER 5 HG SER 5 -0.670 4.486 3.040 22 H ILE 6 H ILE 6 -1.427 7.394 -0.678 23 HA ILE 6 HA ILE 6 0.337 5.869 -2.477 24 HB ILE 6 HB ILE 6 -0.626 8.692 -2.915 25 1HG1 ILE 6 1HG1 ILE 6 -2.404 6.783 -2.870 26 2HG1 ILE 6 2HG1 ILE 6 -2.403 7.929 -4.207 27 1HG2 ILE 6 1HG2 ILE 6 0.716 6.678 -4.711 28 2HG2 ILE 6 2HG2 ILE 6 0.077 8.232 -5.246 29 3HG2 ILE 6 3HG2 ILE 6 1.409 8.177 -4.091 30 1HD1 ILE 6 1HD1 ILE 6 -1.100 6.279 -5.530 31 2HD1 ILE 6 2HD1 ILE 6 -1.309 5.130 -4.210 32 3HD1 ILE 6 3HD1 ILE 6 -2.717 5.736 -5.082 33 HA PRO 7 HA PRO 7 2.127 5.544 -3.183 34 1HB PRO 7 1HB PRO 7 4.410 4.419 -2.295 35 2HB PRO 7 2HB PRO 7 4.411 5.837 -3.352 36 1HG PRO 7 1HG PRO 7 4.765 5.688 -0.383 37 2HG PRO 7 2HG PRO 7 5.660 6.656 -1.568 38 1HD PRO 7 1HD PRO 7 3.651 7.664 -0.026 39 2HD PRO 7 2HD PRO 7 4.043 8.286 -1.640 40 HA PRO 8 HA PRO 8 0.254 2.507 -0.569 41 1HB PRO 8 1HB PRO 8 0.629 0.295 -2.116 42 2HB PRO 8 2HB PRO 8 -0.583 1.530 -2.470 43 1HG PRO 8 1HG PRO 8 2.143 1.157 -3.648 44 2HG PRO 8 2HG PRO 8 0.619 1.566 -4.459 45 1HD PRO 8 1HD PRO 8 2.488 3.427 -3.879 46 2HD PRO 8 2HD PRO 8 0.751 3.791 -3.861 47 H GLN 9 H GLN 9 1.008 1.521 1.192 48 HA GLN 9 HA GLN 9 3.702 0.333 1.088 49 1HB GLN 9 1HB GLN 9 3.773 0.762 3.551 50 2HB GLN 9 2HB GLN 9 3.703 2.219 2.568 51 1HG GLN 9 1HG GLN 9 1.591 2.748 3.252 52 2HG GLN 9 2HG GLN 9 1.156 1.071 3.577 53 2HE2 GLN 9 2HE2 GLN 9 1.907 0.097 5.509 54 1HE2 GLN 9 1HE2 GLN 9 2.337 1.059 6.878 55 H CYS 10 H CYS 10 4.045 -1.684 1.952 56 HA CYS 10 HA CYS 10 1.623 -3.172 2.731 57 1HB CYS 10 1HB CYS 10 3.908 -3.868 0.958 58 2HB CYS 10 2HB CYS 10 3.236 -5.157 1.950 59 H TYR 11 H TYR 11 1.785 -4.703 4.397 60 HA TYR 11 HA TYR 11 4.282 -4.790 5.914 61 1HB TYR 11 1HB TYR 11 3.268 -3.057 7.112 62 2HB TYR 11 2HB TYR 11 1.656 -3.740 6.922 63 HD1 TYR 11 HD1 TYR 11 1.022 -5.764 8.260 64 HD2 TYR 11 HD2 TYR 11 4.620 -3.611 8.975 65 HE1 TYR 11 HE1 TYR 11 1.200 -6.809 10.479 66 HE2 TYR 11 HE2 TYR 11 4.809 -4.650 11.196 67 HH TYR 11 HH TYR 11 4.035 -6.365 12.498 No H/Q in entry = 67 Start of MODEL 22 1 H CYS 2 H CYS 2 -1.765 -3.949 -0.580 2 HA CYS 2 HA CYS 2 -0.461 -3.061 1.891 3 1HB CYS 2 1HB CYS 2 -0.443 -1.882 -0.894 4 2HB CYS 2 2HB CYS 2 0.383 -1.178 0.492 5 H THR 3 H THR 3 -0.849 -0.798 2.571 6 HA THR 3 HA THR 3 -3.595 -0.339 3.008 7 HB THR 3 HB THR 3 -2.920 1.675 4.141 8 HG1 THR 3 HG1 THR 3 -0.901 1.621 2.329 9 1HG2 THR 3 1HG2 THR 3 -1.993 -0.734 4.895 10 2HG2 THR 3 2HG2 THR 3 -0.480 0.157 4.737 11 3HG2 THR 3 3HG2 THR 3 -1.746 0.753 5.811 12 H ALA 4 H ALA 4 -4.907 1.433 2.323 13 HA ALA 4 HA ALA 4 -4.600 2.016 -0.477 14 1HB ALA 4 1HB ALA 4 -6.759 1.708 1.160 15 2HB ALA 4 2HB ALA 4 -6.701 3.460 0.964 16 3HB ALA 4 3HB ALA 4 -6.805 2.418 -0.455 17 H SER 5 H SER 5 -2.434 3.119 0.430 18 HA SER 5 HA SER 5 -3.017 6.004 0.546 19 1HB SER 5 1HB SER 5 -0.650 5.997 1.753 20 2HB SER 5 2HB SER 5 -2.140 5.741 2.658 21 HG SER 5 HG SER 5 -1.551 3.759 3.051 22 H ILE 6 H ILE 6 -1.209 7.364 -0.261 23 HA ILE 6 HA ILE 6 0.205 6.012 -2.466 24 HB ILE 6 HB ILE 6 -0.648 8.903 -2.466 25 1HG1 ILE 6 1HG1 ILE 6 -2.623 7.408 -2.361 26 2HG1 ILE 6 2HG1 ILE 6 -2.509 8.263 -3.896 27 1HG2 ILE 6 1HG2 ILE 6 0.354 7.045 -4.616 28 2HG2 ILE 6 2HG2 ILE 6 -0.278 8.664 -4.911 29 3HG2 ILE 6 3HG2 ILE 6 1.183 8.450 -3.948 30 1HD1 ILE 6 1HD1 ILE 6 -1.356 6.145 -4.759 31 2HD1 ILE 6 2HD1 ILE 6 -2.007 5.374 -3.312 32 3HD1 ILE 6 3HD1 ILE 6 -3.099 6.100 -4.491 33 HA PRO 7 HA PRO 7 1.855 5.583 -3.282 34 1HB PRO 7 1HB PRO 7 4.184 4.332 -2.811 35 2HB PRO 7 2HB PRO 7 4.109 5.840 -3.732 36 1HG PRO 7 1HG PRO 7 4.850 5.407 -0.865 37 2HG PRO 7 2HG PRO 7 5.613 6.459 -2.071 38 1HD PRO 7 1HD PRO 7 3.848 7.345 -0.173 39 2HD PRO 7 2HD PRO 7 4.094 8.141 -1.739 40 HA PRO 8 HA PRO 8 0.160 2.391 -0.746 41 1HB PRO 8 1HB PRO 8 1.158 0.478 -2.775 42 2HB PRO 8 2HB PRO 8 -0.493 0.772 -2.223 43 1HG PRO 8 1HG PRO 8 0.325 1.598 -4.629 44 2HG PRO 8 2HG PRO 8 -0.796 2.566 -3.653 45 1HD PRO 8 1HD PRO 8 2.140 2.937 -4.098 46 2HD PRO 8 2HD PRO 8 0.852 4.155 -3.997 47 H GLN 9 H GLN 9 0.933 1.336 0.973 48 HA GLN 9 HA GLN 9 3.585 0.081 0.792 49 1HB GLN 9 1HB GLN 9 3.442 2.391 2.010 50 2HB GLN 9 2HB GLN 9 2.726 1.453 3.314 51 1HG GLN 9 1HG GLN 9 4.673 0.256 3.695 52 2HG GLN 9 2HG GLN 9 5.329 0.627 2.102 53 2HE2 GLN 9 2HE2 GLN 9 4.072 2.516 4.836 54 1HE2 GLN 9 1HE2 GLN 9 5.422 3.591 4.933 55 H CYS 10 H CYS 10 3.917 -1.724 2.131 56 HA CYS 10 HA CYS 10 1.441 -2.874 3.240 57 1HB CYS 10 1HB CYS 10 3.658 -4.056 1.639 58 2HB CYS 10 2HB CYS 10 2.904 -5.070 2.865 59 H TYR 11 H TYR 11 1.545 -4.001 5.196 60 HA TYR 11 HA TYR 11 3.825 -3.252 6.872 61 1HB TYR 11 1HB TYR 11 0.954 -3.666 7.325 62 2HB TYR 11 2HB TYR 11 1.980 -4.374 8.568 63 HD1 TYR 11 HD1 TYR 11 1.194 -1.204 6.812 64 HD2 TYR 11 HD2 TYR 11 3.004 -3.022 10.207 65 HE1 TYR 11 HE1 TYR 11 1.443 1.008 7.856 66 HE2 TYR 11 HE2 TYR 11 3.257 -0.815 11.261 67 HH TYR 11 HH TYR 11 1.915 1.531 10.965 No H/Q in entry = 67 Start of MODEL 23 1 H CYS 2 H CYS 2 -2.068 -4.616 0.680 2 HA CYS 2 HA CYS 2 -0.296 -2.813 2.185 3 1HB CYS 2 1HB CYS 2 -1.012 -3.036 -0.708 4 2HB CYS 2 2HB CYS 2 -0.583 -1.455 -0.066 5 H THR 3 H THR 3 -0.947 -0.508 2.220 6 HA THR 3 HA THR 3 -3.813 -0.311 2.782 7 HB THR 3 HB THR 3 -3.324 1.477 4.218 8 HG1 THR 3 HG1 THR 3 -0.673 1.712 3.328 9 1HG2 THR 3 1HG2 THR 3 -1.771 -0.852 4.498 10 2HG2 THR 3 2HG2 THR 3 -0.739 0.516 4.913 11 3HG2 THR 3 3HG2 THR 3 -2.275 0.285 5.748 12 H ALA 4 H ALA 4 -5.138 1.197 1.836 13 HA ALA 4 HA ALA 4 -4.501 2.025 -0.791 14 1HB ALA 4 1HB ALA 4 -6.793 1.506 0.055 15 2HB ALA 4 2HB ALA 4 -6.764 3.045 0.915 16 3HB ALA 4 3HB ALA 4 -6.673 3.018 -0.846 17 H SER 5 H SER 5 -2.423 3.082 0.268 18 HA SER 5 HA SER 5 -3.009 5.954 0.566 19 1HB SER 5 1HB SER 5 -0.964 6.112 1.976 20 2HB SER 5 2HB SER 5 -2.209 5.088 2.693 21 HG SER 5 HG SER 5 -1.050 3.277 1.844 22 H ILE 6 H ILE 6 -1.192 7.372 -0.106 23 HA ILE 6 HA ILE 6 0.262 6.199 -2.385 24 HB ILE 6 HB ILE 6 -0.470 9.105 -2.241 25 1HG1 ILE 6 1HG1 ILE 6 -2.156 7.014 -3.618 26 2HG1 ILE 6 2HG1 ILE 6 -2.516 7.603 -1.997 27 1HG2 ILE 6 1HG2 ILE 6 0.940 7.433 -4.055 28 2HG2 ILE 6 2HG2 ILE 6 -0.522 8.011 -4.853 29 3HG2 ILE 6 3HG2 ILE 6 0.623 9.165 -4.169 30 1HD1 ILE 6 1HD1 ILE 6 -2.352 9.316 -4.466 31 2HD1 ILE 6 2HD1 ILE 6 -3.839 8.722 -3.727 32 3HD1 ILE 6 3HD1 ILE 6 -2.805 9.846 -2.846 33 HA PRO 7 HA PRO 7 1.935 5.774 -3.140 34 1HB PRO 7 1HB PRO 7 4.223 4.460 -2.621 35 2HB PRO 7 2HB PRO 7 4.209 6.000 -3.489 36 1HG PRO 7 1HG PRO 7 4.826 5.454 -0.613 37 2HG PRO 7 2HG PRO 7 5.653 6.534 -1.748 38 1HD PRO 7 1HD PRO 7 3.833 7.389 0.107 39 2HD PRO 7 2HD PRO 7 4.144 8.228 -1.425 40 HA PRO 8 HA PRO 8 0.220 2.508 -0.703 41 1HB PRO 8 1HB PRO 8 0.318 0.471 -2.491 42 2HB PRO 8 2HB PRO 8 -0.825 1.811 -2.631 43 1HG PRO 8 1HG PRO 8 1.779 1.388 -4.045 44 2HG PRO 8 2HG PRO 8 0.233 1.966 -4.695 45 1HD PRO 8 1HD PRO 8 2.276 3.635 -4.064 46 2HD PRO 8 2HD PRO 8 0.571 4.112 -3.930 47 H GLN 9 H GLN 9 1.204 1.490 0.918 48 HA GLN 9 HA GLN 9 3.587 -0.134 0.326 49 1HB GLN 9 1HB GLN 9 3.470 2.183 1.944 50 2HB GLN 9 2HB GLN 9 3.645 0.814 3.034 51 1HG GLN 9 1HG GLN 9 5.761 1.957 2.169 52 2HG GLN 9 2HG GLN 9 5.692 0.196 2.138 53 2HE2 GLN 9 2HE2 GLN 9 5.645 3.105 0.239 54 1HE2 GLN 9 1HE2 GLN 9 5.915 2.353 -1.293 55 H CYS 10 H CYS 10 3.992 -1.855 1.900 56 HA CYS 10 HA CYS 10 1.474 -2.864 3.052 57 1HB CYS 10 1HB CYS 10 3.727 -4.228 1.632 58 2HB CYS 10 2HB CYS 10 2.814 -5.124 2.841 59 H TYR 11 H TYR 11 1.545 -3.933 5.061 60 HA TYR 11 HA TYR 11 3.776 -3.072 6.748 61 1HB TYR 11 1HB TYR 11 1.055 -2.942 7.134 62 2HB TYR 11 2HB TYR 11 1.500 -4.362 8.073 63 HD1 TYR 11 HD1 TYR 11 3.430 -1.229 7.501 64 HD2 TYR 11 HD2 TYR 11 1.340 -3.665 10.294 65 HE1 TYR 11 HE1 TYR 11 4.191 0.226 9.330 66 HE2 TYR 11 HE2 TYR 11 2.094 -2.216 12.131 67 HH TYR 11 HH TYR 11 3.238 -0.402 12.696 No H/Q in entry = 67 Start of MODEL 24 1 H CYS 2 H CYS 2 -1.717 -4.144 -0.565 2 HA CYS 2 HA CYS 2 -0.293 -3.030 1.749 3 1HB CYS 2 1HB CYS 2 -0.425 -2.212 -1.148 4 2HB CYS 2 2HB CYS 2 0.212 -1.138 0.094 5 H THR 3 H THR 3 -0.842 -0.908 2.510 6 HA THR 3 HA THR 3 -3.624 -0.532 2.848 7 HB THR 3 HB THR 3 -2.856 1.704 3.854 8 HG1 THR 3 HG1 THR 3 -0.600 1.784 4.252 9 1HG2 THR 3 1HG2 THR 3 -2.254 -0.997 4.828 10 2HG2 THR 3 2HG2 THR 3 -1.363 0.310 5.607 11 3HG2 THR 3 3HG2 THR 3 -3.127 0.328 5.599 12 H ALA 4 H ALA 4 -4.810 1.471 2.336 13 HA ALA 4 HA ALA 4 -4.507 2.109 -0.459 14 1HB ALA 4 1HB ALA 4 -6.725 1.726 0.503 15 2HB ALA 4 2HB ALA 4 -6.513 3.129 1.551 16 3HB ALA 4 3HB ALA 4 -6.595 3.340 -0.198 17 H SER 5 H SER 5 -2.263 3.021 0.491 18 HA SER 5 HA SER 5 -2.637 5.917 0.892 19 1HB SER 5 1HB SER 5 -0.167 5.723 1.717 20 2HB SER 5 2HB SER 5 -1.473 5.216 2.789 21 HG SER 5 HG SER 5 -0.172 3.510 2.850 22 H ILE 6 H ILE 6 -0.883 7.279 -0.034 23 HA ILE 6 HA ILE 6 0.121 6.150 -2.564 24 HB ILE 6 HB ILE 6 -1.059 8.879 -2.071 25 1HG1 ILE 6 1HG1 ILE 6 -2.491 6.797 -2.625 26 2HG1 ILE 6 2HG1 ILE 6 -2.750 8.261 -3.570 27 1HG2 ILE 6 1HG2 ILE 6 0.494 7.874 -4.449 28 2HG2 ILE 6 2HG2 ILE 6 -0.489 9.338 -4.452 29 3HG2 ILE 6 3HG2 ILE 6 0.913 9.219 -3.388 30 1HD1 ILE 6 1HD1 ILE 6 -1.221 7.294 -5.301 31 2HD1 ILE 6 2HD1 ILE 6 -1.254 5.787 -4.384 32 3HD1 ILE 6 3HD1 ILE 6 -2.743 6.434 -5.072 33 HA PRO 7 HA PRO 7 1.687 5.563 -3.403 34 1HB PRO 7 1HB PRO 7 3.982 4.215 -3.013 35 2HB PRO 7 2HB PRO 7 3.908 5.665 -4.023 36 1HG PRO 7 1HG PRO 7 4.832 5.375 -1.191 37 2HG PRO 7 2HG PRO 7 5.557 6.306 -2.513 38 1HD PRO 7 1HD PRO 7 3.993 7.418 -0.572 39 2HD PRO 7 2HD PRO 7 4.130 8.076 -2.213 40 HA PRO 8 HA PRO 8 -0.017 2.560 -0.654 41 1HB PRO 8 1HB PRO 8 0.941 0.525 -2.596 42 2HB PRO 8 2HB PRO 8 -0.692 0.824 -1.991 43 1HG PRO 8 1HG PRO 8 0.002 1.537 -4.465 44 2HG PRO 8 2HG PRO 8 -1.074 2.551 -3.488 45 1HD PRO 8 1HD PRO 8 1.826 2.913 -4.112 46 2HD PRO 8 2HD PRO 8 0.539 4.130 -3.975 47 H GLN 9 H GLN 9 0.656 1.287 1.011 48 HA GLN 9 HA GLN 9 3.413 0.266 0.939 49 1HB GLN 9 1HB GLN 9 3.181 0.856 3.555 50 2HB GLN 9 2HB GLN 9 3.880 1.957 2.376 51 1HG GLN 9 1HG GLN 9 1.538 2.907 2.111 52 2HG GLN 9 2HG GLN 9 1.131 2.004 3.570 53 2HE2 GLN 9 2HE2 GLN 9 3.989 3.865 2.594 54 1HE2 GLN 9 1HE2 GLN 9 3.981 4.921 3.961 55 H CYS 10 H CYS 10 3.831 -1.459 2.498 56 HA CYS 10 HA CYS 10 1.396 -2.932 3.255 57 1HB CYS 10 1HB CYS 10 3.767 -3.837 1.694 58 2HB CYS 10 2HB CYS 10 3.039 -4.981 2.816 59 H TYR 11 H TYR 11 1.947 -4.740 4.850 60 HA TYR 11 HA TYR 11 4.108 -3.953 6.671 61 1HB TYR 11 1HB TYR 11 1.203 -3.917 7.211 62 2HB TYR 11 2HB TYR 11 2.192 -4.673 8.456 63 HD1 TYR 11 HD1 TYR 11 1.480 -1.536 6.675 64 HD2 TYR 11 HD2 TYR 11 3.690 -3.368 9.816 65 HE1 TYR 11 HE1 TYR 11 2.043 0.685 7.566 66 HE2 TYR 11 HE2 TYR 11 4.258 -1.151 10.717 67 HH TYR 11 HH TYR 11 2.757 1.737 9.579 No H/Q in entry = 67 Start of MODEL 25 1 H CYS 2 H CYS 2 -1.582 -3.601 -0.788 2 HA CYS 2 HA CYS 2 -0.256 -2.739 1.683 3 1HB CYS 2 1HB CYS 2 -0.372 -1.384 -1.019 4 2HB CYS 2 2HB CYS 2 0.544 -0.820 0.373 5 H THR 3 H THR 3 -0.807 -0.668 2.606 6 HA THR 3 HA THR 3 -3.561 -0.321 2.993 7 HB THR 3 HB THR 3 -2.756 1.967 3.956 8 HG1 THR 3 HG1 THR 3 -0.576 2.115 4.265 9 1HG2 THR 3 1HG2 THR 3 -2.193 -0.749 4.983 10 2HG2 THR 3 2HG2 THR 3 -1.438 0.616 5.807 11 3HG2 THR 3 3HG2 THR 3 -3.193 0.538 5.655 12 H ALA 4 H ALA 4 -5.013 1.239 2.284 13 HA ALA 4 HA ALA 4 -4.755 2.062 -0.404 14 1HB ALA 4 1HB ALA 4 -6.887 1.598 0.939 15 2HB ALA 4 2HB ALA 4 -6.727 3.257 1.515 16 3HB ALA 4 3HB ALA 4 -6.912 2.936 -0.209 17 H SER 5 H SER 5 -2.544 3.107 0.219 18 HA SER 5 HA SER 5 -3.026 5.990 0.386 19 1HB SER 5 1HB SER 5 -0.875 6.126 1.792 20 2HB SER 5 2HB SER 5 -2.343 5.585 2.608 21 HG SER 5 HG SER 5 -1.575 3.571 2.698 22 H ILE 6 H ILE 6 -1.356 7.284 -0.565 23 HA ILE 6 HA ILE 6 0.263 5.783 -2.514 24 HB ILE 6 HB ILE 6 -0.979 8.523 -2.711 25 1HG1 ILE 6 1HG1 ILE 6 -2.214 7.618 -4.544 26 2HG1 ILE 6 2HG1 ILE 6 -1.224 6.163 -4.580 27 1HG2 ILE 6 1HG2 ILE 6 1.008 7.226 -4.573 28 2HG2 ILE 6 2HG2 ILE 6 0.102 8.700 -4.919 29 3HG2 ILE 6 3HG2 ILE 6 1.267 8.672 -3.596 30 1HD1 ILE 6 1HD1 ILE 6 -2.824 6.811 -2.148 31 2HD1 ILE 6 2HD1 ILE 6 -3.599 6.087 -3.557 32 3HD1 ILE 6 3HD1 ILE 6 -2.275 5.246 -2.750 33 HA PRO 7 HA PRO 7 1.985 5.391 -3.282 34 1HB PRO 7 1HB PRO 7 4.286 4.187 -2.575 35 2HB PRO 7 2HB PRO 7 4.261 5.635 -3.591 36 1HG PRO 7 1HG PRO 7 4.804 5.388 -0.657 37 2HG PRO 7 2HG PRO 7 5.643 6.370 -1.872 38 1HD PRO 7 1HD PRO 7 3.758 7.370 -0.166 39 2HD PRO 7 2HD PRO 7 4.081 8.048 -1.774 40 HA PRO 8 HA PRO 8 0.088 2.285 -0.788 41 1HB PRO 8 1HB PRO 8 1.466 0.332 -2.556 42 2HB PRO 8 2HB PRO 8 -0.253 0.493 -2.181 43 1HG PRO 8 1HG PRO 8 0.705 1.273 -4.542 44 2HG PRO 8 2HG PRO 8 -0.564 2.201 -3.718 45 1HD PRO 8 1HD PRO 8 2.358 2.783 -3.961 46 2HD PRO 8 2HD PRO 8 0.978 3.899 -3.989 47 H GLN 9 H GLN 9 0.653 1.370 1.087 48 HA GLN 9 HA GLN 9 3.459 0.538 1.435 49 1HB GLN 9 1HB GLN 9 2.521 2.562 2.753 50 2HB GLN 9 2HB GLN 9 1.670 1.355 3.706 51 1HG GLN 9 1HG GLN 9 3.484 0.915 4.889 52 2HG GLN 9 2HG GLN 9 4.436 0.639 3.431 53 2HE2 GLN 9 2HE2 GLN 9 5.821 1.670 5.368 54 1HE2 GLN 9 1HE2 GLN 9 6.097 3.363 5.167 55 H CYS 10 H CYS 10 3.886 -1.447 2.261 56 HA CYS 10 HA CYS 10 1.579 -3.107 3.039 57 1HB CYS 10 1HB CYS 10 3.775 -3.636 1.103 58 2HB CYS 10 2HB CYS 10 3.232 -4.984 2.095 59 H TYR 11 H TYR 11 2.338 -5.139 4.231 60 HA TYR 11 HA TYR 11 4.131 -4.265 6.363 61 1HB TYR 11 1HB TYR 11 1.715 -5.514 6.463 62 2HB TYR 11 2HB TYR 11 2.803 -6.890 6.593 63 HD1 TYR 11 HD1 TYR 11 2.975 -3.414 7.956 64 HD2 TYR 11 HD2 TYR 11 2.877 -7.583 8.794 65 HE1 TYR 11 HE1 TYR 11 3.286 -2.934 10.347 66 HE2 TYR 11 HE2 TYR 11 3.187 -7.115 11.188 67 HH TYR 11 HH TYR 11 4.149 -5.266 12.593 No H/Q in entry = 67 Start of MODEL 26 1 H CYS 2 H CYS 2 -1.468 -3.882 -0.833 2 HA CYS 2 HA CYS 2 -0.245 -2.972 1.679 3 1HB CYS 2 1HB CYS 2 -0.340 -1.642 -1.037 4 2HB CYS 2 2HB CYS 2 0.426 -0.962 0.395 5 H THR 3 H THR 3 -0.896 -0.777 2.423 6 HA THR 3 HA THR 3 -3.741 -0.657 2.685 7 HB THR 3 HB THR 3 -3.193 1.483 3.965 8 HG1 THR 3 HG1 THR 3 -1.215 2.163 3.976 9 1HG2 THR 3 1HG2 THR 3 -2.693 -1.232 4.691 10 2HG2 THR 3 2HG2 THR 3 -1.515 -0.178 5.472 11 3HG2 THR 3 3HG2 THR 3 -3.240 0.112 5.692 12 H ALA 4 H ALA 4 -4.931 1.441 2.370 13 HA ALA 4 HA ALA 4 -4.666 2.245 -0.370 14 1HB ALA 4 1HB ALA 4 -6.629 2.623 1.792 15 2HB ALA 4 2HB ALA 4 -6.874 2.260 0.084 16 3HB ALA 4 3HB ALA 4 -6.550 3.917 0.596 17 H SER 5 H SER 5 -2.355 3.021 0.312 18 HA SER 5 HA SER 5 -2.538 5.899 0.923 19 1HB SER 5 1HB SER 5 -0.305 5.768 1.916 20 2HB SER 5 2HB SER 5 -1.397 4.641 2.720 21 HG SER 5 HG SER 5 0.827 4.148 1.159 22 H ILE 6 H ILE 6 -0.755 7.198 -0.029 23 HA ILE 6 HA ILE 6 0.138 6.093 -2.609 24 HB ILE 6 HB ILE 6 -0.428 9.009 -2.366 25 1HG1 ILE 6 1HG1 ILE 6 -2.452 7.924 -1.475 26 2HG1 ILE 6 2HG1 ILE 6 -2.757 8.671 -3.041 27 1HG2 ILE 6 1HG2 ILE 6 -0.032 7.001 -4.476 28 2HG2 ILE 6 2HG2 ILE 6 -1.271 8.212 -4.807 29 3HG2 ILE 6 3HG2 ILE 6 0.380 8.715 -4.445 30 1HD1 ILE 6 1HD1 ILE 6 -1.950 5.910 -3.314 31 2HD1 ILE 6 2HD1 ILE 6 -3.373 6.086 -2.288 32 3HD1 ILE 6 3HD1 ILE 6 -3.381 6.739 -3.926 33 HA PRO 7 HA PRO 7 1.680 5.434 -3.434 34 1HB PRO 7 1HB PRO 7 3.938 4.023 -3.032 35 2HB PRO 7 2HB PRO 7 3.899 5.452 -4.071 36 1HG PRO 7 1HG PRO 7 4.834 5.196 -1.239 37 2HG PRO 7 2HG PRO 7 5.579 6.075 -2.587 38 1HD PRO 7 1HD PRO 7 4.065 7.280 -0.663 39 2HD PRO 7 2HD PRO 7 4.203 7.893 -2.322 40 HA PRO 8 HA PRO 8 -0.083 2.427 -0.742 41 1HB PRO 8 1HB PRO 8 1.230 0.368 -2.447 42 2HB PRO 8 2HB PRO 8 -0.468 0.536 -1.994 43 1HG PRO 8 1HG PRO 8 0.354 1.189 -4.440 44 2HG PRO 8 2HG PRO 8 -0.876 2.154 -3.605 45 1HD PRO 8 1HD PRO 8 2.016 2.744 -4.055 46 2HD PRO 8 2HD PRO 8 0.627 3.848 -4.040 47 H GLN 9 H GLN 9 0.473 1.304 1.069 48 HA GLN 9 HA GLN 9 3.322 0.632 1.414 49 1HB GLN 9 1HB GLN 9 1.566 2.322 3.023 50 2HB GLN 9 2HB GLN 9 2.355 1.068 3.970 51 1HG GLN 9 1HG GLN 9 3.854 2.797 4.124 52 2HG GLN 9 2HG GLN 9 4.507 1.874 2.772 53 2HE2 GLN 9 2HE2 GLN 9 1.948 4.307 3.163 54 1HE2 GLN 9 1HE2 GLN 9 2.505 5.343 1.899 55 H CYS 10 H CYS 10 3.816 -1.287 2.393 56 HA CYS 10 HA CYS 10 1.545 -3.013 3.130 57 1HB CYS 10 1HB CYS 10 3.887 -3.523 1.367 58 2HB CYS 10 2HB CYS 10 3.348 -4.847 2.393 59 H TYR 11 H TYR 11 1.958 -4.616 4.748 60 HA TYR 11 HA TYR 11 4.402 -4.286 6.318 61 1HB TYR 11 1HB TYR 11 2.942 -4.235 8.417 62 2HB TYR 11 2HB TYR 11 3.019 -2.755 7.467 63 HD1 TYR 11 HD1 TYR 11 1.094 -2.115 6.028 64 HD2 TYR 11 HD2 TYR 11 0.893 -5.412 8.710 65 HE1 TYR 11 HE1 TYR 11 -1.359 -2.088 5.868 66 HE2 TYR 11 HE2 TYR 11 -1.561 -5.393 8.557 67 HH TYR 11 HH TYR 11 -3.277 -4.476 6.593 No H/Q in entry = 67 Start of MODEL 27 1 H CYS 2 H CYS 2 -1.794 -4.766 1.284 2 HA CYS 2 HA CYS 2 -0.298 -2.421 2.221 3 1HB CYS 2 1HB CYS 2 -1.121 -3.425 -0.456 4 2HB CYS 2 2HB CYS 2 -1.039 -1.680 -0.238 5 H THR 3 H THR 3 -1.288 -0.314 2.068 6 HA THR 3 HA THR 3 -4.208 -0.427 2.439 7 HB THR 3 HB THR 3 -4.080 1.142 4.122 8 HG1 THR 3 HG1 THR 3 -3.059 2.849 3.368 9 1HG2 THR 3 1HG2 THR 3 -2.526 -0.940 4.556 10 2HG2 THR 3 2HG2 THR 3 -1.275 0.303 4.578 11 3HG2 THR 3 3HG2 THR 3 -2.631 0.397 5.702 12 H ALA 4 H ALA 4 -5.457 1.368 1.685 13 HA ALA 4 HA ALA 4 -4.734 2.240 -0.901 14 1HB ALA 4 1HB ALA 4 -7.075 1.927 0.122 15 2HB ALA 4 2HB ALA 4 -6.865 3.566 0.735 16 3HB ALA 4 3HB ALA 4 -6.823 3.262 -1.002 17 H SER 5 H SER 5 -2.565 3.060 0.172 18 HA SER 5 HA SER 5 -2.886 5.942 0.698 19 1HB SER 5 1HB SER 5 -0.712 5.812 1.904 20 2HB SER 5 2HB SER 5 -1.966 4.822 2.649 21 HG SER 5 HG SER 5 -0.167 3.739 0.766 22 H ILE 6 H ILE 6 -1.033 7.284 -0.024 23 HA ILE 6 HA ILE 6 0.227 6.194 -2.453 24 HB ILE 6 HB ILE 6 -0.908 8.973 -2.125 25 1HG1 ILE 6 1HG1 ILE 6 -1.792 6.949 -4.159 26 2HG1 ILE 6 2HG1 ILE 6 -2.455 6.908 -2.529 27 1HG2 ILE 6 1HG2 ILE 6 0.802 7.701 -4.210 28 2HG2 ILE 6 2HG2 ILE 6 -0.379 8.922 -4.685 29 3HG2 ILE 6 3HG2 ILE 6 0.883 9.322 -3.521 30 1HD1 ILE 6 1HD1 ILE 6 -2.799 9.510 -3.117 31 2HD1 ILE 6 2HD1 ILE 6 -2.937 8.798 -4.724 32 3HD1 ILE 6 3HD1 ILE 6 -4.003 8.260 -3.426 33 HA PRO 7 HA PRO 7 1.875 5.700 -3.175 34 1HB PRO 7 1HB PRO 7 4.191 4.442 -2.657 35 2HB PRO 7 2HB PRO 7 4.134 5.931 -3.608 36 1HG PRO 7 1HG PRO 7 4.842 5.552 -0.725 37 2HG PRO 7 2HG PRO 7 5.627 6.572 -1.945 38 1HD PRO 7 1HD PRO 7 3.855 7.518 -0.087 39 2HD PRO 7 2HD PRO 7 4.110 8.268 -1.675 40 HA PRO 8 HA PRO 8 0.319 2.502 -0.553 41 1HB PRO 8 1HB PRO 8 0.576 0.338 -2.163 42 2HB PRO 8 2HB PRO 8 -0.628 1.599 -2.445 43 1HG PRO 8 1HG PRO 8 2.039 1.204 -3.745 44 2HG PRO 8 2HG PRO 8 0.487 1.638 -4.485 45 1HD PRO 8 1HD PRO 8 2.415 3.466 -3.941 46 2HD PRO 8 2HD PRO 8 0.684 3.855 -3.894 47 H GLN 9 H GLN 9 1.157 1.376 1.094 48 HA GLN 9 HA GLN 9 3.821 0.166 0.750 49 1HB GLN 9 1HB GLN 9 3.056 2.230 2.528 50 2HB GLN 9 2HB GLN 9 3.301 0.787 3.503 51 1HG GLN 9 1HG GLN 9 5.408 1.638 3.516 52 2HG GLN 9 2HG GLN 9 5.508 0.608 2.089 53 2HE2 GLN 9 2HE2 GLN 9 7.230 1.918 1.346 54 1HE2 GLN 9 1HE2 GLN 9 6.926 3.450 0.610 55 H CYS 10 H CYS 10 4.211 -1.798 1.778 56 HA CYS 10 HA CYS 10 1.809 -3.159 2.811 57 1HB CYS 10 1HB CYS 10 3.918 -4.031 0.900 58 2HB CYS 10 2HB CYS 10 3.285 -5.240 2.011 59 H TYR 11 H TYR 11 2.508 -2.311 4.915 60 HA TYR 11 HA TYR 11 4.873 -3.626 6.036 61 1HB TYR 11 1HB TYR 11 3.654 -1.090 6.434 62 2HB TYR 11 2HB TYR 11 3.531 -1.976 7.950 63 HD1 TYR 11 HD1 TYR 11 6.123 -1.528 5.284 64 HD2 TYR 11 HD2 TYR 11 5.219 -1.519 9.441 65 HE1 TYR 11 HE1 TYR 11 8.466 -0.977 5.786 66 HE2 TYR 11 HE2 TYR 11 7.560 -0.968 9.955 67 HH TYR 11 HH TYR 11 9.647 0.273 7.918 No H/Q in entry = 67 Start of MODEL 28 1 H CYS 2 H CYS 2 -1.527 -3.613 -0.895 2 HA CYS 2 HA CYS 2 -0.336 -3.012 1.725 3 1HB CYS 2 1HB CYS 2 -0.097 -1.677 -0.969 4 2HB CYS 2 2HB CYS 2 0.437 -0.893 0.515 5 H THR 3 H THR 3 -0.802 -0.820 2.605 6 HA THR 3 HA THR 3 -3.583 -0.450 2.910 7 HB THR 3 HB THR 3 -2.890 1.677 4.094 8 HG1 THR 3 HG1 THR 3 -0.773 2.154 4.252 9 1HG2 THR 3 1HG2 THR 3 -1.737 -0.974 4.841 10 2HG2 THR 3 2HG2 THR 3 -1.435 0.458 5.825 11 3HG2 THR 3 3HG2 THR 3 -3.087 -0.098 5.561 12 H ALA 4 H ALA 4 -4.948 1.197 2.201 13 HA ALA 4 HA ALA 4 -4.565 2.065 -0.455 14 1HB ALA 4 1HB ALA 4 -6.582 2.776 1.654 15 2HB ALA 4 2HB ALA 4 -6.790 1.754 0.232 16 3HB ALA 4 3HB ALA 4 -6.611 3.499 0.045 17 H SER 5 H SER 5 -2.325 2.984 0.296 18 HA SER 5 HA SER 5 -2.683 5.862 0.819 19 1HB SER 5 1HB SER 5 -0.442 5.855 1.850 20 2HB SER 5 2HB SER 5 -1.545 4.766 2.692 21 HG SER 5 HG SER 5 -0.591 3.039 1.520 22 H ILE 6 H ILE 6 -0.919 7.225 -0.090 23 HA ILE 6 HA ILE 6 0.104 6.122 -2.623 24 HB ILE 6 HB ILE 6 -0.695 9.002 -2.369 25 1HG1 ILE 6 1HG1 ILE 6 -2.542 6.929 -3.522 26 2HG1 ILE 6 2HG1 ILE 6 -2.600 7.327 -1.807 27 1HG2 ILE 6 1HG2 ILE 6 0.537 7.461 -4.346 28 2HG2 ILE 6 2HG2 ILE 6 -1.107 7.739 -4.920 29 3HG2 ILE 6 3HG2 ILE 6 -0.077 9.107 -4.499 30 1HD1 ILE 6 1HD1 ILE 6 -2.989 9.692 -2.427 31 2HD1 ILE 6 2HD1 ILE 6 -3.073 9.193 -4.116 32 3HD1 ILE 6 3HD1 ILE 6 -4.263 8.595 -2.962 33 HA PRO 7 HA PRO 7 1.715 5.497 -3.364 34 1HB PRO 7 1HB PRO 7 3.990 4.172 -2.785 35 2HB PRO 7 2HB PRO 7 3.963 5.560 -3.881 36 1HG PRO 7 1HG PRO 7 4.742 5.444 -0.991 37 2HG PRO 7 2HG PRO 7 5.540 6.288 -2.332 38 1HD PRO 7 1HD PRO 7 3.897 7.536 -0.557 39 2HD PRO 7 2HD PRO 7 4.089 8.068 -2.240 40 HA PRO 8 HA PRO 8 0.111 2.623 -0.413 41 1HB PRO 8 1HB PRO 8 0.036 0.366 -1.895 42 2HB PRO 8 2HB PRO 8 -1.054 1.727 -2.188 43 1HG PRO 8 1HG PRO 8 1.460 0.970 -3.623 44 2HG PRO 8 2HG PRO 8 -0.085 1.528 -4.290 45 1HD PRO 8 1HD PRO 8 2.076 3.155 -3.968 46 2HD PRO 8 2HD PRO 8 0.402 3.738 -3.895 47 H GLN 9 H GLN 9 0.929 1.426 1.202 48 HA GLN 9 HA GLN 9 3.415 -0.071 0.727 49 1HB GLN 9 1HB GLN 9 2.802 1.730 3.074 50 2HB GLN 9 2HB GLN 9 4.160 0.614 3.017 51 1HG GLN 9 1HG GLN 9 5.289 1.853 1.440 52 2HG GLN 9 2HG GLN 9 3.822 2.632 0.849 53 2HE2 GLN 9 2HE2 GLN 9 5.207 4.555 1.048 54 1HE2 GLN 9 1HE2 GLN 9 5.266 5.369 2.570 55 H CYS 10 H CYS 10 3.776 -1.857 2.156 56 HA CYS 10 HA CYS 10 1.273 -2.901 3.303 57 1HB CYS 10 1HB CYS 10 3.632 -4.318 2.067 58 2HB CYS 10 2HB CYS 10 2.398 -5.159 2.997 59 H TYR 11 H TYR 11 1.191 -3.381 5.409 60 HA TYR 11 HA TYR 11 3.622 -2.998 6.991 61 1HB TYR 11 1HB TYR 11 0.696 -2.796 7.552 62 2HB TYR 11 2HB TYR 11 1.779 -3.179 8.887 63 HD1 TYR 11 HD1 TYR 11 3.335 -1.176 6.378 64 HD2 TYR 11 HD2 TYR 11 0.808 -0.984 9.795 65 HE1 TYR 11 HE1 TYR 11 3.865 1.211 6.628 66 HE2 TYR 11 HE2 TYR 11 1.329 1.404 10.054 67 HH TYR 11 HH TYR 11 2.138 3.262 8.786 No H/Q in entry = 67 Start of MODEL 29 1 H CYS 2 H CYS 2 -1.976 -4.803 0.224 2 HA CYS 2 HA CYS 2 -0.346 -3.132 2.004 3 1HB CYS 2 1HB CYS 2 -0.850 -3.170 -0.928 4 2HB CYS 2 2HB CYS 2 -0.568 -1.603 -0.179 5 H THR 3 H THR 3 -0.981 -0.816 2.155 6 HA THR 3 HA THR 3 -3.875 -0.634 2.577 7 HB THR 3 HB THR 3 -3.436 1.108 4.137 8 HG1 THR 3 HG1 THR 3 -1.689 2.307 4.102 9 1HG2 THR 3 1HG2 THR 3 -2.212 -1.385 4.459 10 2HG2 THR 3 2HG2 THR 3 -1.043 -0.187 5.015 11 3HG2 THR 3 3HG2 THR 3 -2.663 -0.229 5.712 12 H ALA 4 H ALA 4 -5.027 1.276 1.956 13 HA ALA 4 HA ALA 4 -4.399 2.155 -0.668 14 1HB ALA 4 1HB ALA 4 -6.703 1.917 0.485 15 2HB ALA 4 2HB ALA 4 -6.390 3.549 1.079 16 3HB ALA 4 3HB ALA 4 -6.449 3.236 -0.656 17 H SER 5 H SER 5 -2.152 2.838 0.383 18 HA SER 5 HA SER 5 -2.292 5.658 1.188 19 1HB SER 5 1HB SER 5 0.029 5.382 1.946 20 2HB SER 5 2HB SER 5 -1.020 4.173 2.686 21 HG SER 5 HG SER 5 1.169 3.742 1.320 22 H ILE 6 H ILE 6 -0.590 7.099 0.301 23 HA ILE 6 HA ILE 6 0.120 6.389 -2.468 24 HB ILE 6 HB ILE 6 -1.007 9.004 -1.476 25 1HG1 ILE 6 1HG1 ILE 6 -2.570 8.517 -3.471 26 2HG1 ILE 6 2HG1 ILE 6 -1.934 6.877 -3.396 27 1HG2 ILE 6 1HG2 ILE 6 0.891 8.545 -3.564 28 2HG2 ILE 6 2HG2 ILE 6 -0.633 9.092 -4.263 29 3HG2 ILE 6 3HG2 ILE 6 0.170 10.063 -3.028 30 1HD1 ILE 6 1HD1 ILE 6 -2.992 8.093 -0.904 31 2HD1 ILE 6 2HD1 ILE 6 -4.133 7.560 -2.138 32 3HD1 ILE 6 3HD1 ILE 6 -2.994 6.411 -1.434 33 HA PRO 7 HA PRO 7 1.635 5.784 -3.377 34 1HB PRO 7 1HB PRO 7 3.915 4.361 -3.161 35 2HB PRO 7 2HB PRO 7 3.824 5.858 -4.097 36 1HG PRO 7 1HG PRO 7 4.875 5.415 -1.329 37 2HG PRO 7 2HG PRO 7 5.559 6.392 -2.642 38 1HD PRO 7 1HD PRO 7 4.123 7.451 -0.581 39 2HD PRO 7 2HD PRO 7 4.178 8.173 -2.201 40 HA PRO 8 HA PRO 8 -0.023 2.673 -0.724 41 1HB PRO 8 1HB PRO 8 0.767 0.733 -2.829 42 2HB PRO 8 2HB PRO 8 -0.822 1.042 -2.124 43 1HG PRO 8 1HG PRO 8 -0.233 1.884 -4.584 44 2HG PRO 8 2HG PRO 8 -1.220 2.872 -3.491 45 1HD PRO 8 1HD PRO 8 1.659 3.173 -4.243 46 2HD PRO 8 2HD PRO 8 0.425 4.423 -3.975 47 H GLN 9 H GLN 9 0.797 1.553 0.936 48 HA GLN 9 HA GLN 9 3.411 0.245 0.601 49 1HB GLN 9 1HB GLN 9 3.815 2.317 1.785 50 2HB GLN 9 2HB GLN 9 2.520 1.962 2.921 51 1HG GLN 9 1HG GLN 9 3.763 0.101 3.820 52 2HG GLN 9 2HG GLN 9 5.032 0.333 2.619 53 2HE2 GLN 9 2HE2 GLN 9 6.765 1.225 3.452 54 1HE2 GLN 9 1HE2 GLN 9 6.804 2.435 4.685 55 H CYS 10 H CYS 10 3.841 -1.459 2.175 56 HA CYS 10 HA CYS 10 1.349 -2.741 3.086 57 1HB CYS 10 1HB CYS 10 3.794 -3.809 1.770 58 2HB CYS 10 2HB CYS 10 3.020 -4.827 2.980 59 H TYR 11 H TYR 11 1.488 -4.055 5.020 60 HA TYR 11 HA TYR 11 3.752 -3.493 6.781 61 1HB TYR 11 1HB TYR 11 0.894 -2.714 7.308 62 2HB TYR 11 2HB TYR 11 2.008 -3.033 8.634 63 HD1 TYR 11 HD1 TYR 11 4.305 -1.730 8.472 64 HD2 TYR 11 HD2 TYR 11 0.715 -0.553 6.515 65 HE1 TYR 11 HE1 TYR 11 5.152 0.574 8.317 66 HE2 TYR 11 HE2 TYR 11 1.552 1.755 6.355 67 HH TYR 11 HH TYR 11 4.687 2.604 6.728 No H/Q in entry = 67 Start of MODEL 30 1 H CYS 2 H CYS 2 -1.807 -4.196 -0.354 2 HA CYS 2 HA CYS 2 -0.414 -3.010 1.940 3 1HB CYS 2 1HB CYS 2 -0.583 -2.151 -0.953 4 2HB CYS 2 2HB CYS 2 0.228 -1.222 0.304 5 H THR 3 H THR 3 -0.944 -0.832 2.591 6 HA THR 3 HA THR 3 -3.764 -0.440 2.816 7 HB THR 3 HB THR 3 -3.242 1.391 4.247 8 HG1 THR 3 HG1 THR 3 -0.936 2.055 4.330 9 1HG2 THR 3 1HG2 THR 3 -1.738 -1.056 4.542 10 2HG2 THR 3 2HG2 THR 3 -0.920 0.317 5.286 11 3HG2 THR 3 3HG2 THR 3 -2.570 -0.084 5.755 12 H ALA 4 H ALA 4 -5.029 1.241 2.007 13 HA ALA 4 HA ALA 4 -4.436 2.067 -0.632 14 1HB ALA 4 1HB ALA 4 -6.726 1.709 0.364 15 2HB ALA 4 2HB ALA 4 -6.538 3.278 1.147 16 3HB ALA 4 3HB ALA 4 -6.533 3.165 -0.613 17 H SER 5 H SER 5 -2.243 2.942 0.348 18 HA SER 5 HA SER 5 -2.585 5.810 0.926 19 1HB SER 5 1HB SER 5 -0.057 5.491 1.626 20 2HB SER 5 2HB SER 5 -1.359 5.050 2.731 21 HG SER 5 HG SER 5 -0.398 3.179 2.728 22 H ILE 6 H ILE 6 -0.862 7.231 0.043 23 HA ILE 6 HA ILE 6 0.094 6.270 -2.572 24 HB ILE 6 HB ILE 6 -0.784 9.100 -2.033 25 1HG1 ILE 6 1HG1 ILE 6 -2.444 7.337 -3.744 26 2HG1 ILE 6 2HG1 ILE 6 -2.529 7.039 -2.010 27 1HG2 ILE 6 1HG2 ILE 6 -0.179 7.576 -4.563 28 2HG2 ILE 6 2HG2 ILE 6 -0.834 9.213 -4.506 29 3HG2 ILE 6 3HG2 ILE 6 0.773 8.883 -3.856 30 1HD1 ILE 6 1HD1 ILE 6 -2.743 9.807 -2.304 31 2HD1 ILE 6 2HD1 ILE 6 -3.754 9.108 -3.569 32 3HD1 ILE 6 3HD1 ILE 6 -4.020 8.665 -1.883 33 HA PRO 7 HA PRO 7 1.664 5.634 -3.348 34 1HB PRO 7 1HB PRO 7 3.950 4.276 -2.932 35 2HB PRO 7 2HB PRO 7 3.891 5.719 -3.951 36 1HG PRO 7 1HG PRO 7 4.792 5.442 -1.110 37 2HG PRO 7 2HG PRO 7 5.532 6.361 -2.434 38 1HD PRO 7 1HD PRO 7 3.959 7.495 -0.512 39 2HD PRO 7 2HD PRO 7 4.109 8.140 -2.157 40 HA PRO 8 HA PRO 8 0.080 2.636 -0.518 41 1HB PRO 8 1HB PRO 8 0.211 0.383 -2.044 42 2HB PRO 8 2HB PRO 8 -0.996 1.651 -2.290 43 1HG PRO 8 1HG PRO 8 1.572 1.172 -3.754 44 2HG PRO 8 2HG PRO 8 -0.022 1.603 -4.402 45 1HD PRO 8 1HD PRO 8 1.940 3.428 -4.081 46 2HD PRO 8 2HD PRO 8 0.226 3.837 -3.868 47 H GLN 9 H GLN 9 0.855 1.363 1.080 48 HA GLN 9 HA GLN 9 3.464 0.064 0.693 49 1HB GLN 9 1HB GLN 9 3.999 2.028 1.921 50 2HB GLN 9 2HB GLN 9 2.613 1.828 2.983 51 1HG GLN 9 1HG GLN 9 3.609 0.024 4.117 52 2HG GLN 9 2HG GLN 9 4.858 -0.158 2.885 53 2HE2 GLN 9 2HE2 GLN 9 6.454 -0.016 4.496 54 1HE2 GLN 9 1HE2 GLN 9 6.889 1.501 5.198 55 H CYS 10 H CYS 10 3.908 -1.652 2.262 56 HA CYS 10 HA CYS 10 1.435 -2.896 3.271 57 1HB CYS 10 1HB CYS 10 3.652 -4.018 1.633 58 2HB CYS 10 2HB CYS 10 2.951 -5.061 2.866 59 H TYR 11 H TYR 11 1.520 -2.595 5.417 60 HA TYR 11 HA TYR 11 3.830 -3.680 6.846 61 1HB TYR 11 1HB TYR 11 3.200 -0.881 6.670 62 2HB TYR 11 2HB TYR 11 3.000 -1.423 8.333 63 HD1 TYR 11 HD1 TYR 11 5.444 -2.028 5.561 64 HD2 TYR 11 HD2 TYR 11 4.842 -1.085 9.666 65 HE1 TYR 11 HE1 TYR 11 7.879 -1.909 5.884 66 HE2 TYR 11 HE2 TYR 11 7.275 -0.963 10.001 67 HH TYR 11 HH TYR 11 9.291 -1.488 9.076 No H/Q in entry = 67
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