NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
595676 | 2n0h | 25525 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 3.176 8.072 -2.417 2 H2 GLY 1 H2 GLY 1 3.713 8.838 -3.755 3 H3 GLY 1 H3 GLY 1 3.531 9.665 -2.359 4 HA2 GLY 1 HA2 GLY 1 1.788 10.105 -3.811 5 HA3 GLY 1 HA3 GLY 1 1.434 8.513 -3.869 6 H ASN 2 H ASN 2 -0.563 8.351 -3.004 7 HA ASN 2 HA ASN 2 -1.062 9.761 -0.569 8 HB2 ASN 2 HB2 ASN 2 -3.336 9.060 -0.863 9 HB3 ASN 2 HB3 ASN 2 -2.794 9.688 -2.269 10 HD21 ASN 2 HD21 ASN 2 -2.838 8.530 -4.139 11 HD22 ASN 2 HD22 ASN 2 -3.280 6.856 -4.188 12 H HIS 3 H HIS 3 -0.565 6.549 -1.627 13 HA HIS 3 HA HIS 3 0.169 5.643 0.888 14 HB2 HIS 3 HB2 HIS 3 -2.376 5.799 0.991 15 HB3 HIS 3 HB3 HIS 3 -2.292 4.365 0.215 16 HD2 HIS 3 HD2 HIS 3 -1.601 2.204 1.772 17 HE1 HIS 3 HE1 HIS 3 -1.237 4.276 5.277 18 HE2 HIS 3 HE2 HIS 3 -1.275 1.989 4.328 19 H TRP 4 H TRP 4 1.859 4.487 0.229 20 HA TRP 4 HA TRP 4 1.496 2.770 -2.042 21 HB2 TRP 4 HB2 TRP 4 3.484 4.071 -2.028 22 HB3 TRP 4 HB3 TRP 4 3.904 3.445 -0.580 23 HD1 TRP 4 HD1 TRP 4 4.221 2.751 -4.167 24 HE1 TRP 4 HE1 TRP 4 5.541 0.645 -4.637 25 HE3 TRP 4 HE3 TRP 4 4.432 1.027 0.522 26 HZ2 TRP 4 HZ2 TRP 4 6.506 -1.451 -3.062 27 HZ3 TRP 4 HZ3 TRP 4 5.564 -1.022 0.948 28 HH2 TRP 4 HH2 TRP 4 6.590 -2.246 -0.817 29 H ALA 5 H ALA 5 1.780 2.581 1.327 30 HA ALA 5 HA ALA 5 2.568 -0.025 1.661 31 HB1 ALA 5 HB1 ALA 5 0.722 1.440 3.312 32 HB2 ALA 5 HB2 ALA 5 1.498 0.082 3.783 33 HB3 ALA 5 HB3 ALA 5 2.346 1.447 3.488 34 H VAL 6 H VAL 6 -0.403 1.177 0.530 35 HA VAL 6 HA VAL 6 -1.942 -1.105 0.991 36 HB VAL 6 HB VAL 6 -2.893 1.054 0.461 37 HG11 VAL 6 HG11 VAL 6 -2.043 0.516 -2.233 38 HG12 VAL 6 HG12 VAL 6 -3.006 1.758 -1.789 39 HG13 VAL 6 HG13 VAL 6 -1.457 1.703 -1.276 40 HG21 VAL 6 HG21 VAL 6 -4.303 -0.856 0.275 41 HG22 VAL 6 HG22 VAL 6 -4.700 0.236 -0.872 42 HG23 VAL 6 HG23 VAL 6 -3.812 -1.076 -1.267 43 H GLY 7 H GLY 7 0.267 -0.288 -1.476 44 HA2 GLY 7 HA2 GLY 7 -0.568 -2.316 -3.256 45 HA3 GLY 7 HA3 GLY 7 0.804 -1.438 -3.375 46 H HIS 8 H HIS 8 1.525 -2.219 -0.588 47 HA HIS 8 HA HIS 8 3.011 -4.518 -1.279 48 HB2 HIS 8 HB2 HIS 8 3.990 -2.978 0.190 49 HB3 HIS 8 HB3 HIS 8 2.750 -3.136 1.240 50 HD2 HIS 8 HD2 HIS 8 3.269 -4.837 3.256 51 HE1 HIS 8 HE1 HIS 8 6.294 -6.926 1.467 52 HE2 HIS 8 HE2 HIS 8 5.031 -6.708 3.579 53 H LEU 9 H LEU 9 0.264 -3.922 0.744 54 HA LEU 9 HA LEU 9 0.043 -6.682 1.457 55 HB2 LEU 9 HB2 LEU 9 -1.952 -4.725 2.065 56 HB3 LEU 9 HB3 LEU 9 -1.562 -6.053 2.932 57 HG LEU 9 HG LEU 9 0.157 -3.758 2.789 58 HD11 LEU 9 HD11 LEU 9 -1.727 -4.380 4.886 59 HD12 LEU 9 HD12 LEU 9 -0.650 -3.153 4.942 60 HD13 LEU 9 HD13 LEU 9 -1.871 -3.119 3.858 61 HD21 LEU 9 HD21 LEU 9 1.282 -5.720 3.359 62 HD22 LEU 9 HD22 LEU 9 1.251 -4.724 4.653 63 HD23 LEU 9 HD23 LEU 9 0.226 -5.993 4.574 64 H MET 10 H MET 10 -1.934 -4.377 -0.266 65 HA MET 10 HA MET 10 -3.371 -6.576 -1.472 66 HB2 MET 10 HB2 MET 10 -4.160 -3.799 -1.504 67 HB3 MET 10 HB3 MET 10 -5.102 -5.065 -1.925 68 HG2 MET 10 HG2 MET 10 -4.188 -4.569 0.747 69 HG3 MET 10 HG3 MET 10 -5.677 -4.173 0.204 70 HE1 MET 10 HE1 MET 10 -6.525 -5.543 2.425 71 HE2 MET 10 HE2 MET 10 -7.544 -5.511 1.149 72 HE3 MET 10 HE3 MET 10 -7.315 -6.900 1.976 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.984 7.531 -2.055 2 H2 GLY 1 H2 GLY 1 4.044 8.421 -2.922 3 H3 GLY 1 H3 GLY 1 3.817 8.738 -1.336 4 HA2 GLY 1 HA2 GLY 1 2.713 10.284 -2.651 5 HA3 GLY 1 HA3 GLY 1 1.880 9.077 -3.370 6 H ASN 2 H ASN 2 -0.122 8.677 -2.686 7 HA ASN 2 HA ASN 2 -0.867 9.803 -0.166 8 HB2 ASN 2 HB2 ASN 2 -2.379 8.774 -2.401 9 HB3 ASN 2 HB3 ASN 2 -3.137 8.973 -0.968 10 HD21 ASN 2 HD21 ASN 2 -1.785 10.528 -3.700 11 HD22 ASN 2 HD22 ASN 2 -2.349 12.125 -3.340 12 H HIS 3 H HIS 3 -0.306 6.757 -1.544 13 HA HIS 3 HA HIS 3 -0.186 5.474 0.914 14 HB2 HIS 3 HB2 HIS 3 -2.673 5.739 0.470 15 HB3 HIS 3 HB3 HIS 3 -2.441 4.443 -0.496 16 HD2 HIS 3 HD2 HIS 3 -0.489 2.850 1.619 17 HE1 HIS 3 HE1 HIS 3 -3.825 2.894 3.982 18 HE2 HIS 3 HE2 HIS 3 -1.622 1.798 3.692 19 H TRP 4 H TRP 4 1.606 4.358 0.482 20 HA TRP 4 HA TRP 4 1.630 2.853 -1.981 21 HB2 TRP 4 HB2 TRP 4 3.497 4.354 -1.614 22 HB3 TRP 4 HB3 TRP 4 3.889 3.494 -0.283 23 HD1 TRP 4 HD1 TRP 4 4.444 3.512 -3.900 24 HE1 TRP 4 HE1 TRP 4 5.887 1.585 -4.677 25 HE3 TRP 4 HE3 TRP 4 4.443 0.907 0.369 26 HZ2 TRP 4 HZ2 TRP 4 6.848 -0.747 -3.476 27 HZ3 TRP 4 HZ3 TRP 4 5.642 -1.148 0.467 28 HH2 TRP 4 HH2 TRP 4 6.831 -1.965 -1.428 29 H ALA 5 H ALA 5 1.794 2.530 1.411 30 HA ALA 5 HA ALA 5 2.641 -0.085 1.596 31 HB1 ALA 5 HB1 ALA 5 0.837 1.287 3.366 32 HB2 ALA 5 HB2 ALA 5 1.626 -0.091 3.747 33 HB3 ALA 5 HB3 ALA 5 2.464 1.288 3.500 34 H VAL 6 H VAL 6 -0.359 1.162 0.605 35 HA VAL 6 HA VAL 6 -1.921 -1.098 1.011 36 HB VAL 6 HB VAL 6 -2.868 1.042 0.486 37 HG11 VAL 6 HG11 VAL 6 -1.896 0.612 -2.185 38 HG12 VAL 6 HG12 VAL 6 -2.880 1.836 -1.736 39 HG13 VAL 6 HG13 VAL 6 -1.355 1.759 -1.156 40 HG21 VAL 6 HG21 VAL 6 -4.263 -0.859 0.162 41 HG22 VAL 6 HG22 VAL 6 -4.609 0.279 -0.958 42 HG23 VAL 6 HG23 VAL 6 -3.704 -1.018 -1.364 43 H GLY 7 H GLY 7 0.234 -0.267 -1.528 44 HA2 GLY 7 HA2 GLY 7 -0.598 -2.322 -3.264 45 HA3 GLY 7 HA3 GLY 7 0.773 -1.447 -3.402 46 H HIS 8 H HIS 8 1.458 -2.241 -0.584 47 HA HIS 8 HA HIS 8 2.954 -4.541 -1.284 48 HB2 HIS 8 HB2 HIS 8 3.879 -2.907 0.180 49 HB3 HIS 8 HB3 HIS 8 2.720 -3.239 1.281 50 HD2 HIS 8 HD2 HIS 8 3.288 -5.270 3.000 51 HE1 HIS 8 HE1 HIS 8 6.729 -6.518 1.178 52 HE2 HIS 8 HE2 HIS 8 5.321 -6.861 3.186 53 H LEU 9 H LEU 9 0.018 -3.951 0.325 54 HA LEU 9 HA LEU 9 -0.140 -6.668 1.273 55 HB2 LEU 9 HB2 LEU 9 -2.128 -4.643 1.698 56 HB3 LEU 9 HB3 LEU 9 -1.912 -6.004 2.575 57 HG LEU 9 HG LEU 9 -0.086 -3.784 2.638 58 HD11 LEU 9 HD11 LEU 9 -2.157 -3.153 3.625 59 HD12 LEU 9 HD12 LEU 9 -2.098 -4.469 4.591 60 HD13 LEU 9 HD13 LEU 9 -1.001 -3.273 4.772 61 HD21 LEU 9 HD21 LEU 9 0.965 -5.798 3.163 62 HD22 LEU 9 HD22 LEU 9 0.881 -4.870 4.505 63 HD23 LEU 9 HD23 LEU 9 -0.163 -6.110 4.302 64 H MET 10 H MET 10 -1.655 -4.528 -0.967 65 HA MET 10 HA MET 10 -3.409 -6.629 -1.864 66 HB2 MET 10 HB2 MET 10 -3.368 -3.811 -2.483 67 HB3 MET 10 HB3 MET 10 -4.390 -4.846 -3.224 68 HG2 MET 10 HG2 MET 10 -5.073 -5.353 -0.835 69 HG3 MET 10 HG3 MET 10 -4.502 -3.845 -0.581 70 HE1 MET 10 HE1 MET 10 -7.561 -5.261 -0.439 71 HE2 MET 10 HE2 MET 10 -7.237 -3.866 0.346 72 HE3 MET 10 HE3 MET 10 -8.488 -3.943 -0.701 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -1.796 9.088 -5.159 2 H2 GLY 1 H2 GLY 1 -2.987 10.206 -5.191 3 H3 GLY 1 H3 GLY 1 -1.433 10.672 -5.000 4 HA2 GLY 1 HA2 GLY 1 -2.564 10.729 -2.986 5 HA3 GLY 1 HA3 GLY 1 -2.927 9.145 -3.145 6 H ASN 2 H ASN 2 -1.874 9.454 -0.868 7 HA ASN 2 HA ASN 2 0.923 8.820 -1.220 8 HB2 ASN 2 HB2 ASN 2 1.369 9.860 0.898 9 HB3 ASN 2 HB3 ASN 2 0.653 10.947 -0.087 10 HD21 ASN 2 HD21 ASN 2 0.680 11.390 2.617 11 HD22 ASN 2 HD22 ASN 2 -0.927 11.199 3.233 12 H HIS 3 H HIS 3 -0.585 6.755 -1.523 13 HA HIS 3 HA HIS 3 -0.268 5.323 0.971 14 HB2 HIS 3 HB2 HIS 3 -2.644 5.920 0.302 15 HB3 HIS 3 HB3 HIS 3 -2.479 4.641 -0.700 16 HD2 HIS 3 HD2 HIS 3 -0.899 2.840 1.626 17 HE1 HIS 3 HE1 HIS 3 -4.549 3.043 3.458 18 HE2 HIS 3 HE2 HIS 3 -2.399 1.817 3.469 19 H TRP 4 H TRP 4 1.710 4.476 0.276 20 HA TRP 4 HA TRP 4 1.582 2.794 -2.049 21 HB2 TRP 4 HB2 TRP 4 3.493 4.228 -1.844 22 HB3 TRP 4 HB3 TRP 4 3.878 3.509 -0.430 23 HD1 TRP 4 HD1 TRP 4 4.304 3.062 -4.060 24 HE1 TRP 4 HE1 TRP 4 5.762 1.069 -4.619 25 HE3 TRP 4 HE3 TRP 4 4.561 1.103 0.533 26 HZ2 TRP 4 HZ2 TRP 4 6.836 -1.043 -3.143 27 HZ3 TRP 4 HZ3 TRP 4 5.817 -0.892 0.869 28 HH2 TRP 4 HH2 TRP 4 6.939 -1.952 -0.944 29 H ALA 5 H ALA 5 1.731 2.573 1.337 30 HA ALA 5 HA ALA 5 2.579 -0.037 1.617 31 HB1 ALA 5 HB1 ALA 5 0.754 1.394 3.320 32 HB2 ALA 5 HB2 ALA 5 1.538 0.029 3.755 33 HB3 ALA 5 HB3 ALA 5 2.380 1.399 3.473 34 H VAL 6 H VAL 6 -0.436 1.189 0.609 35 HA VAL 6 HA VAL 6 -1.960 -1.100 1.036 36 HB VAL 6 HB VAL 6 -2.933 1.049 0.551 37 HG11 VAL 6 HG11 VAL 6 -1.495 1.762 -1.160 38 HG12 VAL 6 HG12 VAL 6 -2.068 0.602 -2.155 39 HG13 VAL 6 HG13 VAL 6 -3.042 1.822 -1.678 40 HG21 VAL 6 HG21 VAL 6 -4.328 -0.864 0.301 41 HG22 VAL 6 HG22 VAL 6 -4.728 0.261 -0.814 42 HG23 VAL 6 HG23 VAL 6 -3.830 -1.033 -1.245 43 H GLY 7 H GLY 7 0.235 -0.273 -1.435 44 HA2 GLY 7 HA2 GLY 7 -0.608 -2.474 -3.077 45 HA3 GLY 7 HA3 GLY 7 0.516 -1.358 -3.475 46 H HIS 8 H HIS 8 0.738 -2.803 -0.421 47 HA HIS 8 HA HIS 8 2.959 -4.422 -1.344 48 HB2 HIS 8 HB2 HIS 8 3.736 -2.680 0.046 49 HB3 HIS 8 HB3 HIS 8 2.675 -3.111 1.211 50 HD2 HIS 8 HD2 HIS 8 3.641 -4.862 3.033 51 HE1 HIS 8 HE1 HIS 8 7.016 -5.944 0.993 52 HE2 HIS 8 HE2 HIS 8 5.833 -6.235 3.145 53 H LEU 9 H LEU 9 0.130 -4.318 0.565 54 HA LEU 9 HA LEU 9 0.468 -7.098 1.300 55 HB2 LEU 9 HB2 LEU 9 -1.495 -5.302 2.383 56 HB3 LEU 9 HB3 LEU 9 -1.067 -6.754 2.996 57 HG LEU 9 HG LEU 9 0.760 -4.543 2.982 58 HD11 LEU 9 HD11 LEU 9 -1.129 -3.894 4.276 59 HD12 LEU 9 HD12 LEU 9 -1.004 -5.269 5.148 60 HD13 LEU 9 HD13 LEU 9 0.163 -4.132 5.246 61 HD21 LEU 9 HD21 LEU 9 1.774 -6.628 3.246 62 HD22 LEU 9 HD22 LEU 9 1.913 -5.783 4.636 63 HD23 LEU 9 HD23 LEU 9 0.793 -6.964 4.508 64 H MET 10 H MET 10 -2.164 -4.992 0.365 65 HA MET 10 HA MET 10 -3.762 -7.100 -0.555 66 HB2 MET 10 HB2 MET 10 -4.041 -4.301 -1.213 67 HB3 MET 10 HB3 MET 10 -5.225 -5.420 -1.332 68 HG2 MET 10 HG2 MET 10 -5.143 -5.658 1.058 69 HG3 MET 10 HG3 MET 10 -4.102 -4.401 1.100 70 HE1 MET 10 HE1 MET 10 -7.589 -5.391 1.435 71 HE2 MET 10 HE2 MET 10 -6.892 -4.594 2.678 72 HE3 MET 10 HE3 MET 10 -8.193 -3.955 1.926 Start of MODEL 4 1 H1 GLY 1 H GLY 1 3.350 7.136 -1.431 2 H2 GLY 1 H2 GLY 1 4.494 8.146 -2.014 3 H3 GLY 1 H3 GLY 1 4.051 8.232 -0.444 4 HA2 GLY 1 HA2 GLY 1 3.094 9.944 -1.666 5 HA3 GLY 1 HA3 GLY 1 2.393 8.848 -2.653 6 H ASN 2 H ASN 2 0.261 9.369 -2.320 7 HA ASN 2 HA ASN 2 -0.822 9.833 0.156 8 HB2 ASN 2 HB2 ASN 2 -1.962 8.947 -2.337 9 HB3 ASN 2 HB3 ASN 2 -2.929 8.965 -1.022 10 HD21 ASN 2 HD21 ASN 2 -3.912 10.429 -2.938 11 HD22 ASN 2 HD22 ASN 2 -3.613 12.115 -2.680 12 H HIS 3 H HIS 3 -0.153 6.854 -1.375 13 HA HIS 3 HA HIS 3 -0.193 5.416 0.990 14 HB2 HIS 3 HB2 HIS 3 -2.650 5.793 0.472 15 HB3 HIS 3 HB3 HIS 3 -2.423 4.552 -0.565 16 HD2 HIS 3 HD2 HIS 3 -0.519 2.922 1.669 17 HE1 HIS 3 HE1 HIS 3 -4.094 2.664 3.639 18 HE2 HIS 3 HE2 HIS 3 -1.814 1.706 3.554 19 H TRP 4 H TRP 4 1.596 4.294 0.538 20 HA TRP 4 HA TRP 4 1.634 2.901 -1.993 21 HB2 TRP 4 HB2 TRP 4 3.510 4.386 -1.531 22 HB3 TRP 4 HB3 TRP 4 3.899 3.433 -0.263 23 HD1 TRP 4 HD1 TRP 4 4.352 3.640 -3.908 24 HE1 TRP 4 HE1 TRP 4 5.802 1.774 -4.808 25 HE3 TRP 4 HE3 TRP 4 4.553 0.874 0.254 26 HZ2 TRP 4 HZ2 TRP 4 6.850 -0.582 -3.732 27 HZ3 TRP 4 HZ3 TRP 4 5.791 -1.158 0.231 28 HH2 TRP 4 HH2 TRP 4 6.929 -1.876 -1.734 29 H ALA 5 H ALA 5 1.790 2.454 1.388 30 HA ALA 5 HA ALA 5 2.612 -0.177 1.473 31 HB1 ALA 5 HB1 ALA 5 2.467 1.130 3.426 32 HB2 ALA 5 HB2 ALA 5 0.839 1.154 3.305 33 HB3 ALA 5 HB3 ALA 5 1.613 -0.247 3.630 34 H VAL 6 H VAL 6 -0.414 1.151 0.629 35 HA VAL 6 HA VAL 6 -2.019 -1.061 0.953 36 HB VAL 6 HB VAL 6 -2.907 1.085 0.404 37 HG11 VAL 6 HG11 VAL 6 -1.325 1.788 -1.176 38 HG12 VAL 6 HG12 VAL 6 -1.854 0.665 -2.237 39 HG13 VAL 6 HG13 VAL 6 -2.826 1.905 -1.808 40 HG21 VAL 6 HG21 VAL 6 -4.334 -0.777 0.011 41 HG22 VAL 6 HG22 VAL 6 -4.615 0.379 -1.107 42 HG23 VAL 6 HG23 VAL 6 -3.726 -0.935 -1.496 43 H GLY 7 H GLY 7 0.224 -0.337 -1.536 44 HA2 GLY 7 HA2 GLY 7 -0.658 -2.438 -3.227 45 HA3 GLY 7 HA3 GLY 7 0.679 -1.525 -3.442 46 H HIS 8 H HIS 8 1.462 -2.211 -0.611 47 HA HIS 8 HA HIS 8 2.904 -4.582 -1.304 48 HB2 HIS 8 HB2 HIS 8 4.067 -2.820 -0.202 49 HB3 HIS 8 HB3 HIS 8 3.076 -2.975 1.087 50 HD2 HIS 8 HD2 HIS 8 3.670 -5.053 2.816 51 HE1 HIS 8 HE1 HIS 8 7.099 -6.206 0.906 52 HE2 HIS 8 HE2 HIS 8 5.774 -6.560 2.966 53 H LEU 9 H LEU 9 0.340 -3.650 0.765 54 HA LEU 9 HA LEU 9 0.219 -6.274 1.951 55 HB2 LEU 9 HB2 LEU 9 -1.465 -4.030 2.572 56 HB3 LEU 9 HB3 LEU 9 -1.283 -5.377 3.476 57 HG LEU 9 HG LEU 9 0.785 -3.408 3.132 58 HD11 LEU 9 HD11 LEU 9 -0.925 -3.799 5.424 59 HD12 LEU 9 HD12 LEU 9 0.319 -2.742 5.366 60 HD13 LEU 9 HD13 LEU 9 -0.997 -2.508 4.427 61 HD21 LEU 9 HD21 LEU 9 1.670 -5.523 3.558 62 HD22 LEU 9 HD22 LEU 9 1.926 -4.564 4.854 63 HD23 LEU 9 HD23 LEU 9 0.727 -5.671 4.882 64 H MET 10 H MET 10 -1.858 -4.095 0.192 65 HA MET 10 HA MET 10 -3.529 -6.350 -0.521 66 HB2 MET 10 HB2 MET 10 -4.315 -3.580 -0.696 67 HB3 MET 10 HB3 MET 10 -5.309 -4.873 -0.793 68 HG2 MET 10 HG2 MET 10 -4.642 -5.308 1.548 69 HG3 MET 10 HG3 MET 10 -4.109 -3.765 1.544 70 HE1 MET 10 HE1 MET 10 -7.006 -6.009 2.046 71 HE2 MET 10 HE2 MET 10 -6.446 -5.221 3.362 72 HE3 MET 10 HE3 MET 10 -7.973 -4.964 2.844 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -1.157 8.948 -5.479 2 H2 GLY 1 H2 GLY 1 -2.639 9.504 -5.879 3 H3 GLY 1 H3 GLY 1 -1.675 10.384 -4.899 4 HA2 GLY 1 HA2 GLY 1 -3.316 9.302 -3.684 5 HA3 GLY 1 HA3 GLY 1 -2.798 7.866 -4.264 6 H ASN 2 H ASN 2 -2.824 9.610 -1.616 7 HA ASN 2 HA ASN 2 -0.119 9.229 -0.834 8 HB2 ASN 2 HB2 ASN 2 -1.628 11.102 -0.074 9 HB3 ASN 2 HB3 ASN 2 -2.245 10.008 0.970 10 HD21 ASN 2 HD21 ASN 2 -0.683 8.875 2.453 11 HD22 ASN 2 HD22 ASN 2 0.606 9.847 3.080 12 H HIS 3 H HIS 3 -0.278 6.889 -1.358 13 HA HIS 3 HA HIS 3 -0.270 5.435 1.004 14 HB2 HIS 3 HB2 HIS 3 -2.737 5.759 0.473 15 HB3 HIS 3 HB3 HIS 3 -2.472 4.517 -0.555 16 HD2 HIS 3 HD2 HIS 3 -0.579 2.866 1.618 17 HE1 HIS 3 HE1 HIS 3 -4.087 2.677 3.712 18 HE2 HIS 3 HE2 HIS 3 -1.831 1.673 3.546 19 H TRP 4 H TRP 4 1.525 4.327 0.568 20 HA TRP 4 HA TRP 4 1.608 2.964 -1.979 21 HB2 TRP 4 HB2 TRP 4 3.450 4.493 -1.465 22 HB3 TRP 4 HB3 TRP 4 3.864 3.496 -0.240 23 HD1 TRP 4 HD1 TRP 4 4.396 3.926 -3.830 24 HE1 TRP 4 HE1 TRP 4 5.835 2.103 -4.835 25 HE3 TRP 4 HE3 TRP 4 4.414 0.839 0.103 26 HZ2 TRP 4 HZ2 TRP 4 6.801 -0.354 -3.918 27 HZ3 TRP 4 HZ3 TRP 4 5.611 -1.213 -0.045 28 HH2 TRP 4 HH2 TRP 4 6.790 -1.804 -2.028 29 H ALA 5 H ALA 5 1.883 2.494 1.409 30 HA ALA 5 HA ALA 5 2.708 -0.124 1.459 31 HB1 ALA 5 HB1 ALA 5 0.927 1.159 3.319 32 HB2 ALA 5 HB2 ALA 5 1.728 -0.231 3.624 33 HB3 ALA 5 HB3 ALA 5 2.557 1.162 3.426 34 H VAL 6 H VAL 6 -0.319 1.155 0.589 35 HA VAL 6 HA VAL 6 -1.910 -1.068 0.934 36 HB VAL 6 HB VAL 6 -2.842 1.038 0.362 37 HG11 VAL 6 HG11 VAL 6 -1.689 0.686 -2.247 38 HG12 VAL 6 HG12 VAL 6 -2.705 1.895 -1.833 39 HG13 VAL 6 HG13 VAL 6 -1.224 1.804 -1.152 40 HG21 VAL 6 HG21 VAL 6 -4.208 -0.851 -0.108 41 HG22 VAL 6 HG22 VAL 6 -4.479 0.316 -1.218 42 HG23 VAL 6 HG23 VAL 6 -3.546 -0.969 -1.596 43 H GLY 7 H GLY 7 0.249 -0.292 -1.640 44 HA2 GLY 7 HA2 GLY 7 -0.568 -2.384 -3.321 45 HA3 GLY 7 HA3 GLY 7 0.822 -1.537 -3.455 46 H HIS 8 H HIS 8 1.420 -2.300 -0.596 47 HA HIS 8 HA HIS 8 2.733 -4.765 -1.255 48 HB2 HIS 8 HB2 HIS 8 4.014 -3.074 -0.173 49 HB3 HIS 8 HB3 HIS 8 3.003 -3.128 1.108 50 HD2 HIS 8 HD2 HIS 8 3.659 -4.937 3.024 51 HE1 HIS 8 HE1 HIS 8 6.598 -6.859 0.930 52 HE2 HIS 8 HE2 HIS 8 5.520 -6.734 3.151 53 H LEU 9 H LEU 9 0.362 -3.577 0.957 54 HA LEU 9 HA LEU 9 0.006 -6.150 2.154 55 HB2 LEU 9 HB2 LEU 9 -1.568 -3.794 2.635 56 HB3 LEU 9 HB3 LEU 9 -1.482 -5.108 3.600 57 HG LEU 9 HG LEU 9 0.847 -3.499 3.216 58 HD11 LEU 9 HD11 LEU 9 -0.834 -1.980 3.946 59 HD12 LEU 9 HD12 LEU 9 -1.178 -2.965 5.203 60 HD13 LEU 9 HD13 LEU 9 0.269 -2.211 5.129 61 HD21 LEU 9 HD21 LEU 9 1.173 -5.563 4.248 62 HD22 LEU 9 HD22 LEU 9 1.477 -4.371 5.322 63 HD23 LEU 9 HD23 LEU 9 0.065 -5.188 5.388 64 H MET 10 H MET 10 -2.264 -3.910 0.721 65 HA MET 10 HA MET 10 -3.999 -6.064 0.019 66 HB2 MET 10 HB2 MET 10 -4.346 -3.248 -0.528 67 HB3 MET 10 HB3 MET 10 -5.518 -4.379 -0.652 68 HG2 MET 10 HG2 MET 10 -4.290 -3.567 1.811 69 HG3 MET 10 HG3 MET 10 -5.772 -3.095 1.314 70 HE1 MET 10 HE1 MET 10 -5.550 -4.236 4.137 71 HE2 MET 10 HE2 MET 10 -7.003 -3.860 3.491 72 HE3 MET 10 HE3 MET 10 -6.782 -5.305 4.219 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -2.211 9.921 -3.917 2 H2 GLY 1 H2 GLY 1 -2.998 11.350 -3.834 3 H3 GLY 1 H3 GLY 1 -1.385 11.291 -3.590 4 HA2 GLY 1 HA2 GLY 1 -2.514 11.494 -1.585 5 HA3 GLY 1 HA3 GLY 1 -3.341 10.124 -1.912 6 H ASN 2 H ASN 2 -2.239 10.001 0.418 7 HA ASN 2 HA ASN 2 0.376 8.872 0.133 8 HB2 ASN 2 HB2 ASN 2 -1.192 9.544 2.481 9 HB3 ASN 2 HB3 ASN 2 0.235 8.763 2.619 10 HD21 ASN 2 HD21 ASN 2 0.032 11.024 4.021 11 HD22 ASN 2 HD22 ASN 2 0.940 12.290 3.263 12 H HIS 3 H HIS 3 -0.286 7.071 -1.152 13 HA HIS 3 HA HIS 3 -1.100 4.890 0.556 14 HB2 HIS 3 HB2 HIS 3 -2.453 5.752 -1.782 15 HB3 HIS 3 HB3 HIS 3 -2.302 4.136 -1.600 16 HD2 HIS 3 HD2 HIS 3 -3.427 3.249 0.969 17 HE1 HIS 3 HE1 HIS 3 -6.211 6.245 0.891 18 HE2 HIS 3 HE2 HIS 3 -5.639 4.110 2.006 19 H TRP 4 H TRP 4 0.994 4.116 0.707 20 HA TRP 4 HA TRP 4 2.053 3.129 -1.800 21 HB2 TRP 4 HB2 TRP 4 3.415 4.782 -0.534 22 HB3 TRP 4 HB3 TRP 4 3.662 3.590 0.554 23 HD1 TRP 4 HD1 TRP 4 5.058 4.876 -2.544 24 HE1 TRP 4 HE1 TRP 4 6.921 3.435 -3.470 25 HE3 TRP 4 HE3 TRP 4 4.389 0.914 0.434 26 HZ2 TRP 4 HZ2 TRP 4 7.893 0.884 -2.886 27 HZ3 TRP 4 HZ3 TRP 4 5.822 -0.971 0.184 28 HH2 TRP 4 HH2 TRP 4 7.551 -0.987 -1.451 29 H ALA 5 H ALA 5 2.011 2.362 1.604 30 HA ALA 5 HA ALA 5 2.771 -0.280 1.344 31 HB1 ALA 5 HB1 ALA 5 1.160 0.878 3.427 32 HB2 ALA 5 HB2 ALA 5 1.910 -0.567 3.544 33 HB3 ALA 5 HB3 ALA 5 2.791 0.804 3.436 34 H VAL 6 H VAL 6 -0.227 1.205 0.763 35 HA VAL 6 HA VAL 6 -1.928 -0.933 1.006 36 HB VAL 6 HB VAL 6 -2.696 1.292 0.565 37 HG11 VAL 6 HG11 VAL 6 -1.774 0.886 -2.127 38 HG12 VAL 6 HG12 VAL 6 -2.651 2.169 -1.626 39 HG13 VAL 6 HG13 VAL 6 -1.136 1.944 -1.059 40 HG21 VAL 6 HG21 VAL 6 -4.248 -0.470 0.179 41 HG22 VAL 6 HG22 VAL 6 -4.502 0.733 -0.895 42 HG23 VAL 6 HG23 VAL 6 -3.710 -0.619 -1.355 43 H GLY 7 H GLY 7 0.421 -0.351 -1.367 44 HA2 GLY 7 HA2 GLY 7 -0.652 -2.264 -3.190 45 HA3 GLY 7 HA3 GLY 7 0.747 -1.440 -3.369 46 H HIS 8 H HIS 8 1.460 -2.313 -0.565 47 HA HIS 8 HA HIS 8 2.775 -4.717 -1.365 48 HB2 HIS 8 HB2 HIS 8 4.063 -3.209 -0.128 49 HB3 HIS 8 HB3 HIS 8 2.954 -3.182 1.070 50 HD2 HIS 8 HD2 HIS 8 3.914 -4.546 3.167 51 HE1 HIS 8 HE1 HIS 8 5.881 -7.477 1.106 52 HE2 HIS 8 HE2 HIS 8 5.345 -6.691 3.388 53 H LEU 9 H LEU 9 0.387 -3.779 0.966 54 HA LEU 9 HA LEU 9 0.052 -6.416 1.952 55 HB2 LEU 9 HB2 LEU 9 -1.740 -4.214 2.389 56 HB3 LEU 9 HB3 LEU 9 -1.571 -5.530 3.339 57 HG LEU 9 HG LEU 9 0.592 -3.680 3.096 58 HD11 LEU 9 HD11 LEU 9 -1.273 -2.371 3.783 59 HD12 LEU 9 HD12 LEU 9 -1.563 -3.421 4.999 60 HD13 LEU 9 HD13 LEU 9 -0.205 -2.515 5.009 61 HD21 LEU 9 HD21 LEU 9 1.095 -5.726 4.096 62 HD22 LEU 9 HD22 LEU 9 1.221 -4.538 5.210 63 HD23 LEU 9 HD23 LEU 9 -0.096 -5.503 5.191 64 H MET 10 H MET 10 -2.184 -4.271 0.327 65 HA MET 10 HA MET 10 -3.556 -6.592 -0.717 66 HB2 MET 10 HB2 MET 10 -4.552 -3.884 -0.557 67 HB3 MET 10 HB3 MET 10 -5.434 -5.177 -1.023 68 HG2 MET 10 HG2 MET 10 -4.325 -5.029 1.604 69 HG3 MET 10 HG3 MET 10 -5.776 -4.360 1.270 70 HE1 MET 10 HE1 MET 10 -6.232 -6.115 3.496 71 HE2 MET 10 HE2 MET 10 -7.504 -5.622 2.598 72 HE3 MET 10 HE3 MET 10 -7.368 -7.191 3.030 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -0.109 7.772 -5.212 2 H2 GLY 1 H2 GLY 1 -1.142 8.623 -6.148 3 H3 GLY 1 H3 GLY 1 0.030 9.396 -5.314 4 HA2 GLY 1 HA2 GLY 1 -2.019 9.637 -4.274 5 HA3 GLY 1 HA3 GLY 1 -2.158 8.013 -4.172 6 H ASN 2 H ASN 2 -2.509 9.189 -1.873 7 HA ASN 2 HA ASN 2 0.036 9.264 -0.551 8 HB2 ASN 2 HB2 ASN 2 -2.607 10.133 0.242 9 HB3 ASN 2 HB3 ASN 2 -1.437 9.991 1.373 10 HD21 ASN 2 HD21 ASN 2 -2.825 12.390 0.784 11 HD22 ASN 2 HD22 ASN 2 -1.661 13.511 0.161 12 H HIS 3 H HIS 3 -0.387 6.801 -1.386 13 HA HIS 3 HA HIS 3 -0.356 5.337 1.010 14 HB2 HIS 3 HB2 HIS 3 -2.809 5.685 0.319 15 HB3 HIS 3 HB3 HIS 3 -2.483 4.384 -0.613 16 HD2 HIS 3 HD2 HIS 3 -0.743 2.830 1.726 17 HE1 HIS 3 HE1 HIS 3 -4.332 2.836 3.686 18 HE2 HIS 3 HE2 HIS 3 -2.096 1.774 3.663 19 H TRP 4 H TRP 4 1.557 4.415 0.512 20 HA TRP 4 HA TRP 4 1.678 3.000 -1.998 21 HB2 TRP 4 HB2 TRP 4 3.484 4.544 -1.495 22 HB3 TRP 4 HB3 TRP 4 3.874 3.614 -0.210 23 HD1 TRP 4 HD1 TRP 4 4.382 3.794 -3.856 24 HE1 TRP 4 HE1 TRP 4 5.945 1.989 -4.698 25 HE3 TRP 4 HE3 TRP 4 4.667 1.123 0.363 26 HZ2 TRP 4 HZ2 TRP 4 7.100 -0.284 -3.561 27 HZ3 TRP 4 HZ3 TRP 4 6.012 -0.839 0.398 28 HH2 TRP 4 HH2 TRP 4 7.216 -1.534 -1.535 29 H ALA 5 H ALA 5 1.825 2.524 1.386 30 HA ALA 5 HA ALA 5 2.709 -0.093 1.427 31 HB1 ALA 5 HB1 ALA 5 0.939 1.183 3.302 32 HB2 ALA 5 HB2 ALA 5 1.742 -0.208 3.597 33 HB3 ALA 5 HB3 ALA 5 2.569 1.186 3.399 34 H VAL 6 H VAL 6 -0.348 1.189 0.629 35 HA VAL 6 HA VAL 6 -1.905 -1.060 0.952 36 HB VAL 6 HB VAL 6 -2.804 1.113 0.434 37 HG11 VAL 6 HG11 VAL 6 -1.313 1.771 -1.252 38 HG12 VAL 6 HG12 VAL 6 -1.901 0.621 -2.250 39 HG13 VAL 6 HG13 VAL 6 -2.847 1.873 -1.800 40 HG21 VAL 6 HG21 VAL 6 -4.250 -0.757 0.173 41 HG22 VAL 6 HG22 VAL 6 -4.594 0.369 -0.958 42 HG23 VAL 6 HG23 VAL 6 -3.728 -0.955 -1.362 43 H GLY 7 H GLY 7 0.368 -0.321 -1.473 44 HA2 GLY 7 HA2 GLY 7 -0.525 -2.296 -3.286 45 HA3 GLY 7 HA3 GLY 7 0.882 -1.473 -3.376 46 H HIS 8 H HIS 8 1.442 -2.343 -0.544 47 HA HIS 8 HA HIS 8 2.735 -4.794 -1.271 48 HB2 HIS 8 HB2 HIS 8 4.043 -3.242 -0.086 49 HB3 HIS 8 HB3 HIS 8 2.949 -3.201 1.125 50 HD2 HIS 8 HD2 HIS 8 3.290 -5.073 3.078 51 HE1 HIS 8 HE1 HIS 8 6.341 -7.114 1.276 52 HE2 HIS 8 HE2 HIS 8 5.048 -6.950 3.380 53 H LEU 9 H LEU 9 0.269 -3.701 0.875 54 HA LEU 9 HA LEU 9 -0.118 -6.303 1.987 55 HB2 LEU 9 HB2 LEU 9 -1.788 -4.003 2.408 56 HB3 LEU 9 HB3 LEU 9 -1.695 -5.320 3.369 57 HG LEU 9 HG LEU 9 0.528 -3.531 3.100 58 HD11 LEU 9 HD11 LEU 9 -1.293 -2.249 3.938 59 HD12 LEU 9 HD12 LEU 9 -1.534 -3.358 5.112 60 HD13 LEU 9 HD13 LEU 9 -0.170 -2.460 5.104 61 HD21 LEU 9 HD21 LEU 9 -0.074 -5.454 5.131 62 HD22 LEU 9 HD22 LEU 9 1.063 -5.626 3.971 63 HD23 LEU 9 HD23 LEU 9 1.249 -4.497 5.136 64 H MET 10 H MET 10 -2.212 -4.077 0.286 65 HA MET 10 HA MET 10 -3.897 -6.258 -0.508 66 HB2 MET 10 HB2 MET 10 -4.311 -3.469 -1.117 67 HB3 MET 10 HB3 MET 10 -5.445 -4.643 -1.164 68 HG2 MET 10 HG2 MET 10 -5.200 -4.836 1.236 69 HG3 MET 10 HG3 MET 10 -4.281 -3.488 1.183 70 HE1 MET 10 HE1 MET 10 -6.514 -3.265 3.137 71 HE2 MET 10 HE2 MET 10 -5.638 -1.949 2.728 72 HE3 MET 10 HE3 MET 10 -7.269 -1.867 2.757 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -3.782 6.656 -3.977 2 H2 GLY 1 H2 GLY 1 -3.048 6.848 -5.423 3 H3 GLY 1 H3 GLY 1 -2.199 6.291 -4.144 4 HA2 GLY 1 HA2 GLY 1 -1.727 8.518 -4.539 5 HA3 GLY 1 HA3 GLY 1 -3.310 8.883 -4.372 6 H ASN 2 H ASN 2 -0.510 9.134 -2.881 7 HA ASN 2 HA ASN 2 0.073 9.400 -0.736 8 HB2 ASN 2 HB2 ASN 2 -1.846 10.970 -0.798 9 HB3 ASN 2 HB3 ASN 2 -2.733 9.793 -0.095 10 HD21 ASN 2 HD21 ASN 2 0.446 11.192 0.435 11 HD22 ASN 2 HD22 ASN 2 0.235 11.470 2.131 12 H HIS 3 H HIS 3 -0.205 6.799 -1.539 13 HA HIS 3 HA HIS 3 -0.159 5.477 0.901 14 HB2 HIS 3 HB2 HIS 3 -2.627 5.834 0.444 15 HB3 HIS 3 HB3 HIS 3 -2.434 4.559 -0.558 16 HD2 HIS 3 HD2 HIS 3 -0.532 2.878 1.566 17 HE1 HIS 3 HE1 HIS 3 -3.938 2.901 3.830 18 HE2 HIS 3 HE2 HIS 3 -1.744 1.786 3.579 19 H TRP 4 H TRP 4 1.603 4.312 0.470 20 HA TRP 4 HA TRP 4 1.575 2.806 -1.997 21 HB2 TRP 4 HB2 TRP 4 3.470 4.225 -1.822 22 HB3 TRP 4 HB3 TRP 4 3.835 3.589 -0.362 23 HD1 TRP 4 HD1 TRP 4 4.427 3.006 -3.936 24 HE1 TRP 4 HE1 TRP 4 5.915 1.004 -4.361 25 HE3 TRP 4 HE3 TRP 4 4.452 1.186 0.721 26 HZ2 TRP 4 HZ2 TRP 4 6.914 -1.062 -2.769 27 HZ3 TRP 4 HZ3 TRP 4 5.688 -0.796 1.179 28 HH2 TRP 4 HH2 TRP 4 6.906 -1.905 -0.540 29 H ALA 5 H ALA 5 1.744 2.526 1.387 30 HA ALA 5 HA ALA 5 2.610 -0.086 1.607 31 HB1 ALA 5 HB1 ALA 5 0.813 1.309 3.367 32 HB2 ALA 5 HB2 ALA 5 1.606 -0.062 3.763 33 HB3 ALA 5 HB3 ALA 5 2.441 1.315 3.492 34 H VAL 6 H VAL 6 -0.402 1.145 0.622 35 HA VAL 6 HA VAL 6 -1.927 -1.150 1.048 36 HB VAL 6 HB VAL 6 -2.929 0.984 0.622 37 HG11 VAL 6 HG11 VAL 6 -2.034 0.660 -2.091 38 HG12 VAL 6 HG12 VAL 6 -3.026 1.848 -1.572 39 HG13 VAL 6 HG13 VAL 6 -1.483 1.783 -1.042 40 HG21 VAL 6 HG21 VAL 6 -4.300 -0.932 0.279 41 HG22 VAL 6 HG22 VAL 6 -4.702 0.234 -0.792 42 HG23 VAL 6 HG23 VAL 6 -3.786 -1.031 -1.268 43 H GLY 7 H GLY 7 0.252 -0.292 -1.424 44 HA2 GLY 7 HA2 GLY 7 -0.621 -2.445 -3.109 45 HA3 GLY 7 HA3 GLY 7 0.525 -1.343 -3.479 46 H HIS 8 H HIS 8 0.770 -2.793 -0.447 47 HA HIS 8 HA HIS 8 2.867 -4.545 -1.422 48 HB2 HIS 8 HB2 HIS 8 3.801 -2.731 -0.194 49 HB3 HIS 8 HB3 HIS 8 2.862 -3.113 1.086 50 HD2 HIS 8 HD2 HIS 8 4.009 -4.796 2.857 51 HE1 HIS 8 HE1 HIS 8 7.094 -6.056 0.485 52 HE2 HIS 8 HE2 HIS 8 6.168 -6.226 2.774 53 H LEU 9 H LEU 9 0.301 -4.120 0.830 54 HA LEU 9 HA LEU 9 0.534 -6.850 1.720 55 HB2 LEU 9 HB2 LEU 9 -1.301 -4.858 2.683 56 HB3 LEU 9 HB3 LEU 9 -0.980 -6.288 3.402 57 HG LEU 9 HG LEU 9 1.050 -4.280 3.184 58 HD11 LEU 9 HD11 LEU 9 -0.783 -4.557 5.394 59 HD12 LEU 9 HD12 LEU 9 0.505 -3.554 5.380 60 HD13 LEU 9 HD13 LEU 9 -0.752 -3.283 4.374 61 HD21 LEU 9 HD21 LEU 9 0.812 -6.506 4.965 62 HD22 LEU 9 HD22 LEU 9 1.824 -6.420 3.686 63 HD23 LEU 9 HD23 LEU 9 2.057 -5.448 4.978 64 H MET 10 H MET 10 -2.062 -4.768 0.640 65 HA MET 10 HA MET 10 -3.237 -7.051 -0.699 66 HB2 MET 10 HB2 MET 10 -5.405 -6.237 -0.124 67 HB3 MET 10 HB3 MET 10 -4.545 -6.573 1.223 68 HG2 MET 10 HG2 MET 10 -4.246 -4.381 1.708 69 HG3 MET 10 HG3 MET 10 -4.661 -3.911 0.200 70 HE1 MET 10 HE1 MET 10 -7.074 -3.564 -0.653 71 HE2 MET 10 HE2 MET 10 -7.281 -5.179 -0.530 72 HE3 MET 10 HE3 MET 10 -8.409 -4.163 0.072 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -1.791 9.999 -5.385 2 H2 GLY 1 H2 GLY 1 -3.340 10.507 -5.482 3 H3 GLY 1 H3 GLY 1 -2.296 11.259 -4.477 4 HA2 GLY 1 HA2 GLY 1 -3.701 9.849 -3.303 5 HA3 GLY 1 HA3 GLY 1 -3.196 8.590 -4.211 6 H ASN 2 H ASN 2 -2.994 9.658 -1.276 7 HA ASN 2 HA ASN 2 -0.173 9.174 -0.971 8 HB2 ASN 2 HB2 ASN 2 -0.592 10.030 1.330 9 HB3 ASN 2 HB3 ASN 2 -0.794 11.138 0.148 10 HD21 ASN 2 HD21 ASN 2 -2.325 9.241 2.547 11 HD22 ASN 2 HD22 ASN 2 -3.887 9.980 2.443 12 H HIS 3 H HIS 3 -0.244 6.938 -1.370 13 HA HIS 3 HA HIS 3 -0.401 5.423 0.946 14 HB2 HIS 3 HB2 HIS 3 -2.828 5.792 0.269 15 HB3 HIS 3 HB3 HIS 3 -2.512 4.565 -0.761 16 HD2 HIS 3 HD2 HIS 3 -0.762 2.888 1.530 17 HE1 HIS 3 HE1 HIS 3 -4.421 2.652 3.342 18 HE2 HIS 3 HE2 HIS 3 -2.153 1.661 3.338 19 H TRP 4 H TRP 4 1.418 4.321 0.581 20 HA TRP 4 HA TRP 4 1.603 2.981 -1.975 21 HB2 TRP 4 HB2 TRP 4 3.401 4.562 -1.362 22 HB3 TRP 4 HB3 TRP 4 3.830 3.497 -0.201 23 HD1 TRP 4 HD1 TRP 4 4.361 4.160 -3.754 24 HE1 TRP 4 HE1 TRP 4 5.823 2.422 -4.869 25 HE3 TRP 4 HE3 TRP 4 4.408 0.828 -0.026 26 HZ2 TRP 4 HZ2 TRP 4 6.818 -0.077 -4.109 27 HZ3 TRP 4 HZ3 TRP 4 5.631 -1.197 -0.301 28 HH2 TRP 4 HH2 TRP 4 6.821 -1.643 -2.314 29 H ALA 5 H ALA 5 1.935 2.529 1.425 30 HA ALA 5 HA ALA 5 2.755 -0.076 1.490 31 HB1 ALA 5 HB1 ALA 5 0.949 1.191 3.336 32 HB2 ALA 5 HB2 ALA 5 1.768 -0.186 3.651 33 HB3 ALA 5 HB3 ALA 5 2.578 1.217 3.450 34 H VAL 6 H VAL 6 -0.318 1.162 0.671 35 HA VAL 6 HA VAL 6 -1.838 -1.117 0.986 36 HB VAL 6 HB VAL 6 -2.818 1.005 0.502 37 HG11 VAL 6 HG11 VAL 6 -1.792 0.687 -2.165 38 HG12 VAL 6 HG12 VAL 6 -2.804 1.878 -1.692 39 HG13 VAL 6 HG13 VAL 6 -1.289 1.805 -1.086 40 HG21 VAL 6 HG21 VAL 6 -4.178 -0.903 0.086 41 HG22 VAL 6 HG22 VAL 6 -4.523 0.267 -1.000 42 HG23 VAL 6 HG23 VAL 6 -3.590 -1.002 -1.434 43 H GLY 7 H GLY 7 0.386 -0.292 -1.473 44 HA2 GLY 7 HA2 GLY 7 -0.456 -2.240 -3.313 45 HA3 GLY 7 HA3 GLY 7 0.973 -1.450 -3.343 46 H HIS 8 H HIS 8 1.454 -2.386 -0.528 47 HA HIS 8 HA HIS 8 2.755 -4.815 -1.261 48 HB2 HIS 8 HB2 HIS 8 3.942 -3.327 0.121 49 HB3 HIS 8 HB3 HIS 8 2.753 -3.376 1.239 50 HD2 HIS 8 HD2 HIS 8 3.151 -5.184 3.200 51 HE1 HIS 8 HE1 HIS 8 6.033 -7.400 1.327 52 HE2 HIS 8 HE2 HIS 8 4.807 -7.158 3.464 53 H LEU 9 H LEU 9 -0.036 -3.882 0.449 54 HA LEU 9 HA LEU 9 -0.448 -6.517 1.513 55 HB2 LEU 9 HB2 LEU 9 -2.329 -4.376 1.766 56 HB3 LEU 9 HB3 LEU 9 -2.111 -5.633 2.784 57 HG LEU 9 HG LEU 9 -0.233 -3.471 2.552 58 HD11 LEU 9 HD11 LEU 9 -2.270 -2.652 3.470 59 HD12 LEU 9 HD12 LEU 9 -2.241 -3.836 4.594 60 HD13 LEU 9 HD13 LEU 9 -1.103 -2.664 4.612 61 HD21 LEU 9 HD21 LEU 9 0.760 -5.434 3.318 62 HD22 LEU 9 HD22 LEU 9 0.722 -4.343 4.532 63 HD23 LEU 9 HD23 LEU 9 -0.362 -5.563 4.497 64 H MET 10 H MET 10 -2.050 -4.334 -0.677 65 HA MET 10 HA MET 10 -3.706 -6.499 -1.617 66 HB2 MET 10 HB2 MET 10 -3.976 -3.738 -2.394 67 HB3 MET 10 HB3 MET 10 -5.117 -4.899 -2.519 68 HG2 MET 10 HG2 MET 10 -5.151 -4.945 -0.083 69 HG3 MET 10 HG3 MET 10 -4.261 -3.577 -0.131 70 HE1 MET 10 HE1 MET 10 -6.879 -3.536 1.468 71 HE2 MET 10 HE2 MET 10 -5.984 -2.183 1.278 72 HE3 MET 10 HE3 MET 10 -7.592 -2.145 0.994 Start of MODEL 10 1 H1 GLY 1 H GLY 1 3.342 11.080 -2.290 2 H2 GLY 1 H2 GLY 1 3.561 10.498 -3.800 3 H3 GLY 1 H3 GLY 1 2.151 11.217 -3.399 4 HA2 GLY 1 HA2 GLY 1 1.923 8.918 -3.437 5 HA3 GLY 1 HA3 GLY 1 3.114 8.782 -2.328 6 H ASN 2 H ASN 2 -0.056 8.581 -2.675 7 HA ASN 2 HA ASN 2 -0.709 9.811 -0.169 8 HB2 ASN 2 HB2 ASN 2 -2.385 8.651 -2.236 9 HB3 ASN 2 HB3 ASN 2 -3.020 9.159 -0.820 10 HD21 ASN 2 HD21 ASN 2 -4.327 10.361 -2.598 11 HD22 ASN 2 HD22 ASN 2 -3.726 11.943 -2.965 12 H HIS 3 H HIS 3 -0.376 6.713 -1.556 13 HA HIS 3 HA HIS 3 -0.152 5.475 0.938 14 HB2 HIS 3 HB2 HIS 3 -2.653 5.771 0.504 15 HB3 HIS 3 HB3 HIS 3 -2.437 4.420 -0.388 16 HD2 HIS 3 HD2 HIS 3 -0.552 2.820 1.707 17 HE1 HIS 3 HE1 HIS 3 -3.728 3.225 4.249 18 HE2 HIS 3 HE2 HIS 3 -1.635 1.958 3.895 19 H TRP 4 H TRP 4 1.661 4.410 0.417 20 HA TRP 4 HA TRP 4 1.595 2.850 -2.005 21 HB2 TRP 4 HB2 TRP 4 3.498 4.291 -1.732 22 HB3 TRP 4 HB3 TRP 4 3.873 3.521 -0.342 23 HD1 TRP 4 HD1 TRP 4 4.356 3.226 -3.976 24 HE1 TRP 4 HE1 TRP 4 5.815 1.254 -4.599 25 HE3 TRP 4 HE3 TRP 4 4.521 1.058 0.526 26 HZ2 TRP 4 HZ2 TRP 4 6.851 -0.930 -3.203 27 HZ3 TRP 4 HZ3 TRP 4 5.759 -0.957 0.792 28 HH2 TRP 4 HH2 TRP 4 6.910 -1.939 -1.046 29 H ALA 5 H ALA 5 1.822 2.539 1.386 30 HA ALA 5 HA ALA 5 2.631 -0.081 1.583 31 HB1 ALA 5 HB1 ALA 5 0.832 1.311 3.346 32 HB2 ALA 5 HB2 ALA 5 1.614 -0.069 3.734 33 HB3 ALA 5 HB3 ALA 5 2.460 1.305 3.481 34 H VAL 6 H VAL 6 -0.365 1.178 0.591 35 HA VAL 6 HA VAL 6 -1.928 -1.083 1.000 36 HB VAL 6 HB VAL 6 -2.896 1.045 0.508 37 HG11 VAL 6 HG11 VAL 6 -1.898 0.694 -2.165 38 HG12 VAL 6 HG12 VAL 6 -2.897 1.897 -1.693 39 HG13 VAL 6 HG13 VAL 6 -1.376 1.818 -1.102 40 HG21 VAL 6 HG21 VAL 6 -4.274 -0.857 0.122 41 HG22 VAL 6 HG22 VAL 6 -4.620 0.306 -0.971 42 HG23 VAL 6 HG23 VAL 6 -3.700 -0.972 -1.403 43 H GLY 7 H GLY 7 0.296 -0.296 -1.465 44 HA2 GLY 7 HA2 GLY 7 -0.579 -2.314 -3.244 45 HA3 GLY 7 HA3 GLY 7 0.794 -1.440 -3.380 46 H HIS 8 H HIS 8 1.467 -2.261 -0.559 47 HA HIS 8 HA HIS 8 2.962 -4.557 -1.279 48 HB2 HIS 8 HB2 HIS 8 3.967 -3.022 0.178 49 HB3 HIS 8 HB3 HIS 8 2.736 -3.169 1.241 50 HD2 HIS 8 HD2 HIS 8 3.060 -5.094 3.130 51 HE1 HIS 8 HE1 HIS 8 6.401 -6.823 1.530 52 HE2 HIS 8 HE2 HIS 8 4.916 -6.863 3.505 53 H LEU 9 H LEU 9 0.143 -3.941 0.596 54 HA LEU 9 HA LEU 9 -0.071 -6.713 1.338 55 HB2 LEU 9 HB2 LEU 9 -1.812 -4.548 2.085 56 HB3 LEU 9 HB3 LEU 9 -1.819 -6.040 2.748 57 HG LEU 9 HG LEU 9 0.407 -4.254 3.051 58 HD11 LEU 9 HD11 LEU 9 -1.490 -3.252 4.081 59 HD12 LEU 9 HD12 LEU 9 -1.761 -4.627 4.920 60 HD13 LEU 9 HD13 LEU 9 -0.424 -3.738 5.218 61 HD21 LEU 9 HD21 LEU 9 0.954 -6.493 3.391 62 HD22 LEU 9 HD22 LEU 9 1.048 -5.695 4.813 63 HD23 LEU 9 HD23 LEU 9 -0.246 -6.637 4.489 64 H MET 10 H MET 10 -2.196 -4.322 -0.075 65 HA MET 10 HA MET 10 -3.654 -6.441 -1.382 66 HB2 MET 10 HB2 MET 10 -4.362 -3.677 -0.945 67 HB3 MET 10 HB3 MET 10 -5.292 -4.689 -1.826 68 HG2 MET 10 HG2 MET 10 -4.680 -5.239 0.912 69 HG3 MET 10 HG3 MET 10 -5.973 -4.333 0.498 70 HE1 MET 10 HE1 MET 10 -8.199 -5.228 -0.387 71 HE2 MET 10 HE2 MET 10 -7.419 -5.505 -1.795 72 HE3 MET 10 HE3 MET 10 -8.384 -6.657 -1.155 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -0.496 10.080 -5.521 2 H2 GLY 1 H2 GLY 1 -2.008 10.124 -6.136 3 H3 GLY 1 H3 GLY 1 -1.565 11.189 -4.979 4 HA2 GLY 1 HA2 GLY 1 -2.867 9.499 -4.090 5 HA3 GLY 1 HA3 GLY 1 -1.797 8.390 -4.631 6 H ASN 2 H ASN 2 -2.628 8.638 -1.955 7 HA ASN 2 HA ASN 2 -0.082 9.271 -0.766 8 HB2 ASN 2 HB2 ASN 2 -2.679 10.152 0.161 9 HB3 ASN 2 HB3 ASN 2 -1.434 10.059 1.213 10 HD21 ASN 2 HD21 ASN 2 -3.080 12.339 0.155 11 HD22 ASN 2 HD22 ASN 2 -1.903 13.482 -0.399 12 H HIS 3 H HIS 3 -0.323 6.821 -1.441 13 HA HIS 3 HA HIS 3 -0.268 5.415 0.962 14 HB2 HIS 3 HB2 HIS 3 -2.731 5.694 0.456 15 HB3 HIS 3 HB3 HIS 3 -2.467 4.480 -0.603 16 HD2 HIS 3 HD2 HIS 3 -0.462 2.984 1.700 17 HE1 HIS 3 HE1 HIS 3 -4.087 2.389 3.498 18 HE2 HIS 3 HE2 HIS 3 -1.730 1.637 3.515 19 H TRP 4 H TRP 4 1.556 4.343 0.538 20 HA TRP 4 HA TRP 4 1.671 2.945 -1.987 21 HB2 TRP 4 HB2 TRP 4 3.495 4.491 -1.447 22 HB3 TRP 4 HB3 TRP 4 3.902 3.490 -0.222 23 HD1 TRP 4 HD1 TRP 4 4.420 3.912 -3.825 24 HE1 TRP 4 HE1 TRP 4 5.895 2.112 -4.816 25 HE3 TRP 4 HE3 TRP 4 4.530 0.873 0.143 26 HZ2 TRP 4 HZ2 TRP 4 6.922 -0.312 -3.877 27 HZ3 TRP 4 HZ3 TRP 4 5.774 -1.151 0.012 28 HH2 TRP 4 HH2 TRP 4 6.955 -1.737 -1.968 29 H ALA 5 H ALA 5 1.820 2.498 1.400 30 HA ALA 5 HA ALA 5 2.671 -0.132 1.457 31 HB1 ALA 5 HB1 ALA 5 2.570 1.166 3.419 32 HB2 ALA 5 HB2 ALA 5 0.939 1.187 3.337 33 HB3 ALA 5 HB3 ALA 5 1.723 -0.213 3.637 34 H VAL 6 H VAL 6 -0.343 1.187 0.609 35 HA VAL 6 HA VAL 6 -1.944 -1.035 0.986 36 HB VAL 6 HB VAL 6 -2.800 1.161 0.458 37 HG11 VAL 6 HG11 VAL 6 -1.332 1.755 -1.271 38 HG12 VAL 6 HG12 VAL 6 -1.967 0.599 -2.235 39 HG13 VAL 6 HG13 VAL 6 -2.876 1.880 -1.788 40 HG21 VAL 6 HG21 VAL 6 -4.291 -0.685 0.261 41 HG22 VAL 6 HG22 VAL 6 -4.637 0.428 -0.883 42 HG23 VAL 6 HG23 VAL 6 -3.806 -0.921 -1.281 43 H GLY 7 H GLY 7 0.294 -0.316 -1.489 44 HA2 GLY 7 HA2 GLY 7 -0.620 -2.507 -3.104 45 HA3 GLY 7 HA3 GLY 7 0.546 -1.439 -3.509 46 H HIS 8 H HIS 8 0.722 -2.827 -0.434 47 HA HIS 8 HA HIS 8 2.796 -4.642 -1.337 48 HB2 HIS 8 HB2 HIS 8 3.853 -2.874 -0.216 49 HB3 HIS 8 HB3 HIS 8 2.829 -3.019 1.048 50 HD2 HIS 8 HD2 HIS 8 4.000 -4.274 3.105 51 HE1 HIS 8 HE1 HIS 8 6.594 -6.601 0.969 52 HE2 HIS 8 HE2 HIS 8 5.880 -6.041 3.273 53 H LEU 9 H LEU 9 0.295 -4.049 0.962 54 HA LEU 9 HA LEU 9 0.472 -6.714 2.005 55 HB2 LEU 9 HB2 LEU 9 -1.565 -4.853 2.748 56 HB3 LEU 9 HB3 LEU 9 -0.930 -6.051 3.657 57 HG LEU 9 HG LEU 9 0.510 -3.646 3.026 58 HD11 LEU 9 HD11 LEU 9 -1.345 -3.109 4.416 59 HD12 LEU 9 HD12 LEU 9 -0.881 -4.258 5.480 60 HD13 LEU 9 HD13 LEU 9 0.050 -2.937 5.248 61 HD21 LEU 9 HD21 LEU 9 1.924 -5.436 3.496 62 HD22 LEU 9 HD22 LEU 9 2.023 -4.342 4.705 63 HD23 LEU 9 HD23 LEU 9 1.145 -5.704 4.906 64 H MET 10 H MET 10 -1.668 -4.811 0.071 65 HA MET 10 HA MET 10 -3.529 -6.947 -0.224 66 HB2 MET 10 HB2 MET 10 -3.469 -4.385 -1.562 67 HB3 MET 10 HB3 MET 10 -4.725 -5.427 -1.628 68 HG2 MET 10 HG2 MET 10 -3.875 -4.331 0.866 69 HG3 MET 10 HG3 MET 10 -4.923 -3.517 -0.085 70 HE1 MET 10 HE1 MET 10 -4.884 -5.295 2.921 71 HE2 MET 10 HE2 MET 10 -5.873 -4.009 2.738 72 HE3 MET 10 HE3 MET 10 -6.494 -5.466 3.132 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -3.463 9.419 -3.237 2 H2 GLY 1 H2 GLY 1 -3.999 10.960 -3.314 3 H3 GLY 1 H3 GLY 1 -2.432 10.623 -3.630 4 HA2 GLY 1 HA2 GLY 1 -2.673 11.519 -1.514 5 HA3 GLY 1 HA3 GLY 1 -3.703 10.315 -1.121 6 H ASN 2 H ASN 2 -2.114 10.135 0.706 7 HA ASN 2 HA ASN 2 0.331 8.886 -0.025 8 HB2 ASN 2 HB2 ASN 2 -0.727 9.180 2.664 9 HB3 ASN 2 HB3 ASN 2 0.844 8.945 2.285 10 HD21 ASN 2 HD21 ASN 2 -0.118 11.005 3.976 11 HD22 ASN 2 HD22 ASN 2 0.235 12.511 3.197 12 H HIS 3 H HIS 3 -0.365 7.070 -1.180 13 HA HIS 3 HA HIS 3 -1.101 4.910 0.595 14 HB2 HIS 3 HB2 HIS 3 -2.536 5.755 -1.694 15 HB3 HIS 3 HB3 HIS 3 -2.358 4.140 -1.538 16 HD2 HIS 3 HD2 HIS 3 -3.361 3.227 1.083 17 HE1 HIS 3 HE1 HIS 3 -6.222 6.151 1.092 18 HE2 HIS 3 HE2 HIS 3 -5.558 4.035 2.192 19 H TRP 4 H TRP 4 1.031 4.190 0.683 20 HA TRP 4 HA TRP 4 2.001 3.145 -1.835 21 HB2 TRP 4 HB2 TRP 4 3.403 4.810 -0.630 22 HB3 TRP 4 HB3 TRP 4 3.674 3.633 0.469 23 HD1 TRP 4 HD1 TRP 4 4.989 4.868 -2.685 24 HE1 TRP 4 HE1 TRP 4 6.827 3.411 -3.634 25 HE3 TRP 4 HE3 TRP 4 4.392 0.957 0.373 26 HZ2 TRP 4 HZ2 TRP 4 7.809 0.864 -3.034 27 HZ3 TRP 4 HZ3 TRP 4 5.813 -0.935 0.117 28 HH2 TRP 4 HH2 TRP 4 7.500 -0.983 -1.561 29 H ALA 5 H ALA 5 2.042 2.419 1.576 30 HA ALA 5 HA ALA 5 2.809 -0.219 1.350 31 HB1 ALA 5 HB1 ALA 5 1.190 0.949 3.420 32 HB2 ALA 5 HB2 ALA 5 1.955 -0.487 3.554 33 HB3 ALA 5 HB3 ALA 5 2.822 0.890 3.427 34 H VAL 6 H VAL 6 -0.204 1.228 0.755 35 HA VAL 6 HA VAL 6 -1.876 -0.935 1.023 36 HB VAL 6 HB VAL 6 -2.702 1.261 0.596 37 HG11 VAL 6 HG11 VAL 6 -1.137 1.981 -0.995 38 HG12 VAL 6 HG12 VAL 6 -1.736 0.929 -2.092 39 HG13 VAL 6 HG13 VAL 6 -2.650 2.181 -1.578 40 HG21 VAL 6 HG21 VAL 6 -4.207 -0.531 0.154 41 HG22 VAL 6 HG22 VAL 6 -4.475 0.687 -0.900 42 HG23 VAL 6 HG23 VAL 6 -3.644 -0.636 -1.375 43 H GLY 7 H GLY 7 0.438 -0.312 -1.379 44 HA2 GLY 7 HA2 GLY 7 -0.607 -2.382 -3.082 45 HA3 GLY 7 HA3 GLY 7 0.619 -1.369 -3.452 46 H HIS 8 H HIS 8 0.678 -2.876 -0.421 47 HA HIS 8 HA HIS 8 2.687 -4.742 -1.367 48 HB2 HIS 8 HB2 HIS 8 3.794 -3.102 -0.122 49 HB3 HIS 8 HB3 HIS 8 2.713 -3.239 1.093 50 HD2 HIS 8 HD2 HIS 8 3.717 -4.648 3.138 51 HE1 HIS 8 HE1 HIS 8 6.282 -7.017 1.009 52 HE2 HIS 8 HE2 HIS 8 5.496 -6.525 3.303 53 H LEU 9 H LEU 9 0.089 -4.178 0.810 54 HA LEU 9 HA LEU 9 0.081 -6.966 1.577 55 HB2 LEU 9 HB2 LEU 9 -1.574 -4.971 2.788 56 HB3 LEU 9 HB3 LEU 9 -1.108 -6.397 3.432 57 HG LEU 9 HG LEU 9 0.748 -4.244 3.043 58 HD11 LEU 9 HD11 LEU 9 -0.927 -3.488 4.553 59 HD12 LEU 9 HD12 LEU 9 -0.704 -4.822 5.468 60 HD13 LEU 9 HD13 LEU 9 0.485 -3.710 5.344 61 HD21 LEU 9 HD21 LEU 9 1.753 -6.337 3.266 62 HD22 LEU 9 HD22 LEU 9 2.102 -5.432 4.579 63 HD23 LEU 9 HD23 LEU 9 0.955 -6.591 4.667 64 H MET 10 H MET 10 -2.089 -4.479 0.461 65 HA MET 10 HA MET 10 -4.115 -6.387 -0.149 66 HB2 MET 10 HB2 MET 10 -4.034 -3.537 -0.620 67 HB3 MET 10 HB3 MET 10 -5.346 -4.459 -0.928 68 HG2 MET 10 HG2 MET 10 -5.199 -5.027 1.503 69 HG3 MET 10 HG3 MET 10 -4.314 -3.658 1.598 70 HE1 MET 10 HE1 MET 10 -7.098 -4.291 3.117 71 HE2 MET 10 HE2 MET 10 -6.222 -2.955 3.456 72 HE3 MET 10 HE3 MET 10 -7.810 -2.821 3.100 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -2.820 6.151 -4.086 2 H2 GLY 1 H2 GLY 1 -3.326 6.803 -5.495 3 H3 GLY 1 H3 GLY 1 -1.728 6.659 -5.190 4 HA2 GLY 1 HA2 GLY 1 -2.432 8.837 -4.883 5 HA3 GLY 1 HA3 GLY 1 -3.523 8.330 -3.780 6 H ASN 2 H ASN 2 -2.921 9.180 -1.873 7 HA ASN 2 HA ASN 2 -0.149 9.162 -1.214 8 HB2 ASN 2 HB2 ASN 2 -2.357 10.062 0.449 9 HB3 ASN 2 HB3 ASN 2 -0.788 10.442 0.691 10 HD21 ASN 2 HD21 ASN 2 -3.673 11.363 -0.733 11 HD22 ASN 2 HD22 ASN 2 -3.081 12.708 -1.651 12 H HIS 3 H HIS 3 -0.430 6.693 -1.516 13 HA HIS 3 HA HIS 3 0.016 5.556 0.978 14 HB2 HIS 3 HB2 HIS 3 -2.518 5.820 0.818 15 HB3 HIS 3 HB3 HIS 3 -2.395 4.439 -0.044 16 HD2 HIS 3 HD2 HIS 3 -0.425 2.752 1.776 17 HE1 HIS 3 HE1 HIS 3 -3.037 3.529 4.822 18 HE2 HIS 3 HE2 HIS 3 -1.172 2.050 4.154 19 H TRP 4 H TRP 4 1.768 4.474 0.312 20 HA TRP 4 HA TRP 4 1.494 2.856 -2.050 21 HB2 TRP 4 HB2 TRP 4 3.449 4.235 -1.917 22 HB3 TRP 4 HB3 TRP 4 3.881 3.488 -0.531 23 HD1 TRP 4 HD1 TRP 4 4.169 3.101 -4.174 24 HE1 TRP 4 HE1 TRP 4 5.531 1.071 -4.828 25 HE3 TRP 4 HE3 TRP 4 4.490 1.018 0.360 26 HZ2 TRP 4 HZ2 TRP 4 6.570 -1.116 -3.437 27 HZ3 TRP 4 HZ3 TRP 4 5.681 -1.028 0.608 28 HH2 TRP 4 HH2 TRP 4 6.706 -2.083 -1.264 29 H ALA 5 H ALA 5 1.814 2.567 1.320 30 HA ALA 5 HA ALA 5 2.619 -0.050 1.542 31 HB1 ALA 5 HB1 ALA 5 0.827 1.358 3.298 32 HB2 ALA 5 HB2 ALA 5 1.614 -0.016 3.698 33 HB3 ALA 5 HB3 ALA 5 2.455 1.356 3.425 34 H VAL 6 H VAL 6 -0.380 1.193 0.540 35 HA VAL 6 HA VAL 6 -1.932 -1.076 0.982 36 HB VAL 6 HB VAL 6 -2.851 1.105 0.469 37 HG11 VAL 6 HG11 VAL 6 -2.067 0.542 -2.239 38 HG12 VAL 6 HG12 VAL 6 -3.000 1.802 -1.782 39 HG13 VAL 6 HG13 VAL 6 -1.441 1.723 -1.300 40 HG21 VAL 6 HG21 VAL 6 -4.298 -0.779 0.321 41 HG22 VAL 6 HG22 VAL 6 -4.699 0.314 -0.823 42 HG23 VAL 6 HG23 VAL 6 -3.843 -1.016 -1.229 43 H GLY 7 H GLY 7 0.323 -0.327 -1.444 44 HA2 GLY 7 HA2 GLY 7 -0.566 -2.492 -3.111 45 HA3 GLY 7 HA3 GLY 7 0.602 -1.414 -3.485 46 H HIS 8 H HIS 8 0.738 -2.842 -0.425 47 HA HIS 8 HA HIS 8 2.859 -4.609 -1.319 48 HB2 HIS 8 HB2 HIS 8 3.762 -2.803 -0.064 49 HB3 HIS 8 HB3 HIS 8 2.772 -3.171 1.181 50 HD2 HIS 8 HD2 HIS 8 3.572 -5.307 2.763 51 HE1 HIS 8 HE1 HIS 8 7.190 -5.824 0.927 52 HE2 HIS 8 HE2 HIS 8 5.856 -6.525 2.888 53 H LEU 9 H LEU 9 0.257 -4.152 0.897 54 HA LEU 9 HA LEU 9 0.414 -6.907 1.735 55 HB2 LEU 9 HB2 LEU 9 -1.391 -4.915 2.750 56 HB3 LEU 9 HB3 LEU 9 -1.036 -6.345 3.453 57 HG LEU 9 HG LEU 9 0.907 -4.246 3.222 58 HD11 LEU 9 HD11 LEU 9 -0.876 -3.454 4.584 59 HD12 LEU 9 HD12 LEU 9 -0.762 -4.793 5.512 60 HD13 LEU 9 HD13 LEU 9 0.457 -3.707 5.493 61 HD21 LEU 9 HD21 LEU 9 1.845 -6.358 3.525 62 HD22 LEU 9 HD22 LEU 9 2.098 -5.461 4.866 63 HD23 LEU 9 HD23 LEU 9 0.923 -6.595 4.852 64 H MET 10 H MET 10 -2.116 -4.722 0.706 65 HA MET 10 HA MET 10 -3.434 -6.970 -0.563 66 HB2 MET 10 HB2 MET 10 -5.510 -5.793 -0.183 67 HB3 MET 10 HB3 MET 10 -4.777 -6.226 1.210 68 HG2 MET 10 HG2 MET 10 -4.059 -4.066 1.581 69 HG3 MET 10 HG3 MET 10 -4.551 -3.597 0.096 70 HE1 MET 10 HE1 MET 10 -6.778 -2.552 -0.406 71 HE2 MET 10 HE2 MET 10 -7.285 -4.098 -0.539 72 HE3 MET 10 HE3 MET 10 -8.184 -3.011 0.284 Start of MODEL 14 1 H1 GLY 1 H GLY 1 2.037 11.277 -3.187 2 H2 GLY 1 H2 GLY 1 0.806 11.767 -4.142 3 H3 GLY 1 H3 GLY 1 0.848 12.212 -2.571 4 HA2 GLY 1 HA2 GLY 1 -0.669 10.501 -2.903 5 HA3 GLY 1 HA3 GLY 1 0.519 9.566 -3.519 6 H ASN 2 H ASN 2 -1.300 9.342 -1.142 7 HA ASN 2 HA ASN 2 0.791 8.819 0.778 8 HB2 ASN 2 HB2 ASN 2 -1.895 9.430 1.645 9 HB3 ASN 2 HB3 ASN 2 -0.522 9.597 2.514 10 HD21 ASN 2 HD21 ASN 2 0.926 11.378 2.132 11 HD22 ASN 2 HD22 ASN 2 0.298 12.822 1.410 12 H HIS 3 H HIS 3 -0.095 7.020 -1.168 13 HA HIS 3 HA HIS 3 -1.020 4.920 0.578 14 HB2 HIS 3 HB2 HIS 3 -2.424 5.882 -1.666 15 HB3 HIS 3 HB3 HIS 3 -2.287 4.256 -1.609 16 HD2 HIS 3 HD2 HIS 3 -3.187 3.327 1.111 17 HE1 HIS 3 HE1 HIS 3 -6.174 6.120 1.045 18 HE2 HIS 3 HE2 HIS 3 -5.420 4.064 2.198 19 H TRP 4 H TRP 4 1.112 4.146 0.655 20 HA TRP 4 HA TRP 4 1.995 3.004 -1.853 21 HB2 TRP 4 HB2 TRP 4 3.482 4.646 -0.733 22 HB3 TRP 4 HB3 TRP 4 3.723 3.504 0.410 23 HD1 TRP 4 HD1 TRP 4 5.017 4.542 -2.831 24 HE1 TRP 4 HE1 TRP 4 6.790 2.980 -3.736 25 HE3 TRP 4 HE3 TRP 4 4.374 0.823 0.446 26 HZ2 TRP 4 HZ2 TRP 4 7.715 0.445 -3.016 27 HZ3 TRP 4 HZ3 TRP 4 5.735 -1.122 0.269 28 HH2 TRP 4 HH2 TRP 4 7.384 -1.310 -1.438 29 H ALA 5 H ALA 5 1.951 2.371 1.569 30 HA ALA 5 HA ALA 5 2.681 -0.289 1.434 31 HB1 ALA 5 HB1 ALA 5 2.666 0.877 3.481 32 HB2 ALA 5 HB2 ALA 5 1.036 0.969 3.431 33 HB3 ALA 5 HB3 ALA 5 1.767 -0.479 3.623 34 H VAL 6 H VAL 6 -0.295 1.203 0.750 35 HA VAL 6 HA VAL 6 -2.002 -0.937 1.020 36 HB VAL 6 HB VAL 6 -2.809 1.256 0.578 37 HG11 VAL 6 HG11 VAL 6 -1.779 0.937 -2.088 38 HG12 VAL 6 HG12 VAL 6 -2.696 2.192 -1.588 39 HG13 VAL 6 HG13 VAL 6 -1.200 1.977 -0.970 40 HG21 VAL 6 HG21 VAL 6 -4.314 -0.520 0.090 41 HG22 VAL 6 HG22 VAL 6 -4.548 0.707 -0.962 42 HG23 VAL 6 HG23 VAL 6 -3.716 -0.619 -1.427 43 H GLY 7 H GLY 7 0.346 -0.351 -1.360 44 HA2 GLY 7 HA2 GLY 7 -0.712 -2.324 -3.138 45 HA3 GLY 7 HA3 GLY 7 0.642 -1.443 -3.373 46 H HIS 8 H HIS 8 1.505 -2.212 -0.593 47 HA HIS 8 HA HIS 8 2.960 -4.515 -1.369 48 HB2 HIS 8 HB2 HIS 8 4.065 -2.959 -0.017 49 HB3 HIS 8 HB3 HIS 8 2.903 -3.065 1.125 50 HD2 HIS 8 HD2 HIS 8 3.625 -4.636 3.176 51 HE1 HIS 8 HE1 HIS 8 6.342 -6.960 1.192 52 HE2 HIS 8 HE2 HIS 8 5.339 -6.561 3.419 53 H LEU 9 H LEU 9 0.316 -3.870 0.746 54 HA LEU 9 HA LEU 9 0.182 -6.563 1.668 55 HB2 LEU 9 HB2 LEU 9 -1.859 -4.595 2.087 56 HB3 LEU 9 HB3 LEU 9 -1.511 -5.874 3.041 57 HG LEU 9 HG LEU 9 0.278 -3.644 2.821 58 HD11 LEU 9 HD11 LEU 9 -1.779 -2.824 3.691 59 HD12 LEU 9 HD12 LEU 9 -1.761 -3.991 4.834 60 HD13 LEU 9 HD13 LEU 9 -0.632 -2.811 4.853 61 HD21 LEU 9 HD21 LEU 9 1.271 -5.590 3.633 62 HD22 LEU 9 HD22 LEU 9 1.205 -4.481 4.830 63 HD23 LEU 9 HD23 LEU 9 0.129 -5.709 4.794 64 H MET 10 H MET 10 -1.994 -4.514 -0.148 65 HA MET 10 HA MET 10 -3.704 -6.573 -0.902 66 HB2 MET 10 HB2 MET 10 -3.290 -4.055 -2.262 67 HB3 MET 10 HB3 MET 10 -4.596 -5.013 -2.465 68 HG2 MET 10 HG2 MET 10 -4.076 -4.045 0.143 69 HG3 MET 10 HG3 MET 10 -4.699 -2.995 -0.941 70 HE1 MET 10 HE1 MET 10 -6.382 -3.251 1.505 71 HE2 MET 10 HE2 MET 10 -6.946 -2.463 0.190 72 HE3 MET 10 HE3 MET 10 -7.886 -3.562 0.949 Start of MODEL 15 1 H1 GLY 1 H GLY 1 3.805 9.925 -1.536 2 H2 GLY 1 H2 GLY 1 3.935 9.955 -3.164 3 H3 GLY 1 H3 GLY 1 2.846 10.914 -2.414 4 HA2 GLY 1 HA2 GLY 1 1.813 9.075 -3.357 5 HA3 GLY 1 HA3 GLY 1 2.771 8.086 -2.480 6 H ASN 2 H ASN 2 -0.223 9.062 -2.671 7 HA ASN 2 HA ASN 2 -0.803 9.835 -0.061 8 HB2 ASN 2 HB2 ASN 2 -3.031 9.693 -0.686 9 HB3 ASN 2 HB3 ASN 2 -2.277 10.010 -2.100 10 HD21 ASN 2 HD21 ASN 2 -2.013 8.400 -3.711 11 HD22 ASN 2 HD22 ASN 2 -2.979 6.963 -3.657 12 H HIS 3 H HIS 3 -0.329 6.783 -1.457 13 HA HIS 3 HA HIS 3 -0.094 5.502 0.989 14 HB2 HIS 3 HB2 HIS 3 -2.608 5.796 0.654 15 HB3 HIS 3 HB3 HIS 3 -2.426 4.468 -0.278 16 HD2 HIS 3 HD2 HIS 3 -0.442 2.847 1.728 17 HE1 HIS 3 HE1 HIS 3 -3.561 3.138 4.357 18 HE2 HIS 3 HE2 HIS 3 -1.455 1.915 3.921 19 H TRP 4 H TRP 4 1.679 4.405 0.430 20 HA TRP 4 HA TRP 4 1.551 2.897 -2.026 21 HB2 TRP 4 HB2 TRP 4 3.466 4.330 -1.768 22 HB3 TRP 4 HB3 TRP 4 3.877 3.522 -0.410 23 HD1 TRP 4 HD1 TRP 4 4.232 3.302 -4.069 24 HE1 TRP 4 HE1 TRP 4 5.668 1.348 -4.781 25 HE3 TRP 4 HE3 TRP 4 4.569 1.058 0.386 26 HZ2 TRP 4 HZ2 TRP 4 6.760 -0.860 -3.463 27 HZ3 TRP 4 HZ3 TRP 4 5.819 -0.959 0.571 28 HH2 TRP 4 HH2 TRP 4 6.902 -1.907 -1.326 29 H ALA 5 H ALA 5 1.815 2.531 1.350 30 HA ALA 5 HA ALA 5 2.637 -0.093 1.494 31 HB1 ALA 5 HB1 ALA 5 0.871 1.273 3.307 32 HB2 ALA 5 HB2 ALA 5 1.657 -0.114 3.661 33 HB3 ALA 5 HB3 ALA 5 2.500 1.262 3.415 34 H VAL 6 H VAL 6 -0.373 1.183 0.570 35 HA VAL 6 HA VAL 6 -1.949 -1.060 0.976 36 HB VAL 6 HB VAL 6 -2.847 1.115 0.442 37 HG11 VAL 6 HG11 VAL 6 -1.985 0.575 -2.247 38 HG12 VAL 6 HG12 VAL 6 -2.921 1.837 -1.804 39 HG13 VAL 6 HG13 VAL 6 -1.379 1.740 -1.277 40 HG21 VAL 6 HG21 VAL 6 -4.301 -0.757 0.232 41 HG22 VAL 6 HG22 VAL 6 -4.660 0.352 -0.912 42 HG23 VAL 6 HG23 VAL 6 -3.802 -0.981 -1.307 43 H GLY 7 H GLY 7 0.287 -0.325 -1.492 44 HA2 GLY 7 HA2 GLY 7 -0.597 -2.525 -3.109 45 HA3 GLY 7 HA3 GLY 7 0.568 -1.452 -3.504 46 H HIS 8 H HIS 8 0.749 -2.805 -0.421 47 HA HIS 8 HA HIS 8 2.858 -4.591 -1.304 48 HB2 HIS 8 HB2 HIS 8 3.771 -2.775 -0.078 49 HB3 HIS 8 HB3 HIS 8 2.774 -3.107 1.171 50 HD2 HIS 8 HD2 HIS 8 3.809 -4.782 3.025 51 HE1 HIS 8 HE1 HIS 8 6.991 -6.113 0.831 52 HE2 HIS 8 HE2 HIS 8 5.955 -6.231 3.072 53 H LEU 9 H LEU 9 0.183 -4.141 0.795 54 HA LEU 9 HA LEU 9 0.405 -6.826 1.809 55 HB2 LEU 9 HB2 LEU 9 -1.555 -4.845 2.519 56 HB3 LEU 9 HB3 LEU 9 -1.270 -6.235 3.328 57 HG LEU 9 HG LEU 9 0.693 -4.148 3.199 58 HD11 LEU 9 HD11 LEU 9 -1.232 -3.253 4.274 59 HD12 LEU 9 HD12 LEU 9 -1.251 -4.524 5.299 60 HD13 LEU 9 HD13 LEU 9 -0.024 -3.447 5.355 61 HD21 LEU 9 HD21 LEU 9 0.475 -6.376 4.981 62 HD22 LEU 9 HD22 LEU 9 1.556 -6.240 3.764 63 HD23 LEU 9 HD23 LEU 9 1.656 -5.251 5.059 64 H MET 10 H MET 10 -2.210 -4.902 0.507 65 HA MET 10 HA MET 10 -3.899 -6.967 -0.083 66 HB2 MET 10 HB2 MET 10 -3.628 -4.462 -1.502 67 HB3 MET 10 HB3 MET 10 -4.910 -5.458 -1.679 68 HG2 MET 10 HG2 MET 10 -4.241 -4.277 0.841 69 HG3 MET 10 HG3 MET 10 -5.264 -3.557 -0.209 70 HE1 MET 10 HE1 MET 10 -5.868 -4.434 2.853 71 HE2 MET 10 HE2 MET 10 -6.926 -3.532 1.996 72 HE3 MET 10 HE3 MET 10 -7.432 -4.891 2.747 Start of MODEL 16 1 H1 GLY 1 H GLY 1 0.218 6.725 -4.711 2 H2 GLY 1 H2 GLY 1 -0.043 7.507 -6.121 3 H3 GLY 1 H3 GLY 1 1.191 7.960 -5.153 4 HA2 GLY 1 HA2 GLY 1 -0.584 9.427 -4.965 5 HA3 GLY 1 HA3 GLY 1 -1.557 8.192 -4.523 6 H ASN 2 H ASN 2 -2.173 8.770 -2.495 7 HA ASN 2 HA ASN 2 -0.037 9.355 -0.656 8 HB2 ASN 2 HB2 ASN 2 -1.779 10.200 0.795 9 HB3 ASN 2 HB3 ASN 2 -1.857 10.936 -0.661 10 HD21 ASN 2 HD21 ASN 2 -3.733 9.844 1.659 11 HD22 ASN 2 HD22 ASN 2 -5.100 9.296 0.747 12 H HIS 3 H HIS 3 -0.316 6.734 -1.546 13 HA HIS 3 HA HIS 3 -0.296 5.392 0.904 14 HB2 HIS 3 HB2 HIS 3 -2.750 5.679 0.303 15 HB3 HIS 3 HB3 HIS 3 -2.456 4.404 -0.674 16 HD2 HIS 3 HD2 HIS 3 -0.575 2.921 1.674 17 HE1 HIS 3 HE1 HIS 3 -4.193 2.647 3.562 18 HE2 HIS 3 HE2 HIS 3 -1.887 1.746 3.573 19 H TRP 4 H TRP 4 1.558 4.349 0.513 20 HA TRP 4 HA TRP 4 1.711 2.875 -1.964 21 HB2 TRP 4 HB2 TRP 4 3.537 4.405 -1.439 22 HB3 TRP 4 HB3 TRP 4 3.890 3.469 -0.149 23 HD1 TRP 4 HD1 TRP 4 4.555 3.700 -3.743 24 HE1 TRP 4 HE1 TRP 4 6.050 1.837 -4.580 25 HE3 TRP 4 HE3 TRP 4 4.469 0.866 0.375 26 HZ2 TRP 4 HZ2 TRP 4 7.009 -0.544 -3.479 27 HZ3 TRP 4 HZ3 TRP 4 5.692 -1.175 0.398 28 HH2 TRP 4 HH2 TRP 4 6.948 -1.872 -1.501 29 H ALA 5 H ALA 5 1.857 2.495 1.444 30 HA ALA 5 HA ALA 5 2.657 -0.137 1.570 31 HB1 ALA 5 HB1 ALA 5 0.882 1.225 3.378 32 HB2 ALA 5 HB2 ALA 5 1.654 -0.171 3.727 33 HB3 ALA 5 HB3 ALA 5 2.510 1.202 3.504 34 H VAL 6 H VAL 6 -0.337 1.175 0.637 35 HA VAL 6 HA VAL 6 -1.936 -1.058 1.005 36 HB VAL 6 HB VAL 6 -2.863 1.083 0.507 37 HG11 VAL 6 HG11 VAL 6 -1.832 0.732 -2.154 38 HG12 VAL 6 HG12 VAL 6 -2.817 1.949 -1.689 39 HG13 VAL 6 HG13 VAL 6 -1.307 1.841 -1.076 40 HG21 VAL 6 HG21 VAL 6 -4.267 -0.792 0.089 41 HG22 VAL 6 HG22 VAL 6 -4.577 0.383 -1.002 42 HG23 VAL 6 HG23 VAL 6 -3.673 -0.909 -1.428 43 H GLY 7 H GLY 7 0.260 -0.265 -1.504 44 HA2 GLY 7 HA2 GLY 7 -0.621 -2.301 -3.254 45 HA3 GLY 7 HA3 GLY 7 0.751 -1.429 -3.407 46 H HIS 8 H HIS 8 1.462 -2.229 -0.594 47 HA HIS 8 HA HIS 8 2.901 -4.570 -1.324 48 HB2 HIS 8 HB2 HIS 8 3.951 -2.924 0.036 49 HB3 HIS 8 HB3 HIS 8 2.838 -3.176 1.204 50 HD2 HIS 8 HD2 HIS 8 3.471 -5.106 3.000 51 HE1 HIS 8 HE1 HIS 8 6.701 -6.630 1.007 52 HE2 HIS 8 HE2 HIS 8 5.436 -6.788 3.128 53 H LEU 9 H LEU 9 0.147 -3.827 0.573 54 HA LEU 9 HA LEU 9 -0.053 -6.523 1.546 55 HB2 LEU 9 HB2 LEU 9 -1.937 -4.423 2.065 56 HB3 LEU 9 HB3 LEU 9 -1.701 -5.771 2.956 57 HG LEU 9 HG LEU 9 0.236 -3.654 2.828 58 HD11 LEU 9 HD11 LEU 9 -1.740 -2.818 3.855 59 HD12 LEU 9 HD12 LEU 9 -1.733 -4.077 4.894 60 HD13 LEU 9 HD13 LEU 9 -0.547 -2.957 4.961 61 HD21 LEU 9 HD21 LEU 9 1.162 -5.707 3.429 62 HD22 LEU 9 HD22 LEU 9 1.201 -4.702 4.716 63 HD23 LEU 9 HD23 LEU 9 0.064 -5.871 4.627 64 H MET 10 H MET 10 -2.193 -4.303 -0.105 65 HA MET 10 HA MET 10 -3.696 -6.520 -1.140 66 HB2 MET 10 HB2 MET 10 -4.231 -3.691 -1.376 67 HB3 MET 10 HB3 MET 10 -5.254 -4.863 -1.871 68 HG2 MET 10 HG2 MET 10 -4.511 -4.440 0.865 69 HG3 MET 10 HG3 MET 10 -5.906 -3.906 0.207 70 HE1 MET 10 HE1 MET 10 -4.111 -6.773 1.786 71 HE2 MET 10 HE2 MET 10 -5.197 -6.003 2.731 72 HE3 MET 10 HE3 MET 10 -5.413 -7.577 2.356 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.830 7.591 -1.254 2 H2 GLY 1 H2 GLY 1 4.534 8.499 -2.415 3 H3 GLY 1 H3 GLY 1 4.086 9.184 -1.002 4 HA2 GLY 1 HA2 GLY 1 2.579 9.691 -2.677 5 HA3 GLY 1 HA3 GLY 1 2.323 8.098 -2.929 6 H ASN 2 H ASN 2 0.061 9.159 -2.607 7 HA ASN 2 HA ASN 2 -0.747 9.784 -0.062 8 HB2 ASN 2 HB2 ASN 2 -2.947 9.504 -0.845 9 HB3 ASN 2 HB3 ASN 2 -2.087 10.044 -2.124 10 HD21 ASN 2 HD21 ASN 2 -3.894 7.477 -0.817 11 HD22 ASN 2 HD22 ASN 2 -3.848 6.439 -2.203 12 H HIS 3 H HIS 3 -0.298 6.712 -1.485 13 HA HIS 3 HA HIS 3 -0.182 5.421 0.982 14 HB2 HIS 3 HB2 HIS 3 -2.667 5.747 0.483 15 HB3 HIS 3 HB3 HIS 3 -2.437 4.413 -0.430 16 HD2 HIS 3 HD2 HIS 3 -0.534 2.897 1.802 17 HE1 HIS 3 HE1 HIS 3 -3.940 3.033 4.059 18 HE2 HIS 3 HE2 HIS 3 -1.731 1.927 3.878 19 H TRP 4 H TRP 4 1.672 4.419 0.439 20 HA TRP 4 HA TRP 4 1.659 2.886 -1.996 21 HB2 TRP 4 HB2 TRP 4 3.549 4.355 -1.522 22 HB3 TRP 4 HB3 TRP 4 3.920 3.390 -0.259 23 HD1 TRP 4 HD1 TRP 4 4.402 3.622 -3.892 24 HE1 TRP 4 HE1 TRP 4 5.818 1.732 -4.804 25 HE3 TRP 4 HE3 TRP 4 4.500 0.800 0.235 26 HZ2 TRP 4 HZ2 TRP 4 6.798 -0.661 -3.750 27 HZ3 TRP 4 HZ3 TRP 4 5.691 -1.261 0.196 28 HH2 TRP 4 HH2 TRP 4 6.827 -1.983 -1.767 29 H ALA 5 H ALA 5 1.875 2.491 1.401 30 HA ALA 5 HA ALA 5 2.617 -0.149 1.528 31 HB1 ALA 5 HB1 ALA 5 0.852 1.236 3.330 32 HB2 ALA 5 HB2 ALA 5 1.604 -0.170 3.682 33 HB3 ALA 5 HB3 ALA 5 2.479 1.191 3.462 34 H VAL 6 H VAL 6 -0.351 1.198 0.571 35 HA VAL 6 HA VAL 6 -2.002 -0.984 0.946 36 HB VAL 6 HB VAL 6 -2.854 1.166 0.353 37 HG11 VAL 6 HG11 VAL 6 -1.787 0.682 -2.273 38 HG12 VAL 6 HG12 VAL 6 -2.745 1.944 -1.874 39 HG13 VAL 6 HG13 VAL 6 -1.250 1.818 -1.229 40 HG21 VAL 6 HG21 VAL 6 -4.304 -0.684 -0.020 41 HG22 VAL 6 HG22 VAL 6 -4.560 0.456 -1.160 42 HG23 VAL 6 HG23 VAL 6 -3.686 -0.876 -1.519 43 H GLY 7 H GLY 7 0.233 -0.302 -1.572 44 HA2 GLY 7 HA2 GLY 7 -0.644 -2.407 -3.240 45 HA3 GLY 7 HA3 GLY 7 0.729 -1.542 -3.425 46 H HIS 8 H HIS 8 1.569 -2.169 -0.661 47 HA HIS 8 HA HIS 8 2.973 -4.544 -1.264 48 HB2 HIS 8 HB2 HIS 8 3.971 -2.819 0.052 49 HB3 HIS 8 HB3 HIS 8 2.876 -3.097 1.231 50 HD2 HIS 8 HD2 HIS 8 3.344 -5.360 2.794 51 HE1 HIS 8 HE1 HIS 8 7.037 -6.140 1.226 52 HE2 HIS 8 HE2 HIS 8 5.497 -6.776 3.052 53 H LEU 9 H LEU 9 0.265 -3.751 0.708 54 HA LEU 9 HA LEU 9 0.063 -6.428 1.712 55 HB2 LEU 9 HB2 LEU 9 -1.787 -4.285 2.198 56 HB3 LEU 9 HB3 LEU 9 -1.618 -5.642 3.091 57 HG LEU 9 HG LEU 9 0.399 -3.598 2.993 58 HD11 LEU 9 HD11 LEU 9 -1.606 -3.964 5.036 59 HD12 LEU 9 HD12 LEU 9 -0.382 -2.886 5.122 60 HD13 LEU 9 HD13 LEU 9 -1.558 -2.699 4.004 61 HD21 LEU 9 HD21 LEU 9 0.130 -5.818 4.778 62 HD22 LEU 9 HD22 LEU 9 1.245 -5.687 3.593 63 HD23 LEU 9 HD23 LEU 9 1.307 -4.691 4.886 64 H MET 10 H MET 10 -2.032 -4.255 -0.051 65 HA MET 10 HA MET 10 -3.199 -6.559 -1.359 66 HB2 MET 10 HB2 MET 10 -5.333 -5.633 -1.228 67 HB3 MET 10 HB3 MET 10 -4.715 -5.586 0.283 68 HG2 MET 10 HG2 MET 10 -4.130 -3.285 -0.109 69 HG3 MET 10 HG3 MET 10 -4.951 -3.371 -1.518 70 HE1 MET 10 HE1 MET 10 -5.539 -4.312 2.182 71 HE2 MET 10 HE2 MET 10 -5.149 -2.727 2.130 72 HE3 MET 10 HE3 MET 10 -6.644 -3.186 2.603 Start of MODEL 18 1 H1 GLY 1 H GLY 1 3.187 7.914 -1.277 2 H2 GLY 1 H2 GLY 1 4.110 9.018 -2.048 3 H3 GLY 1 H3 GLY 1 3.677 9.260 -0.493 4 HA2 GLY 1 HA2 GLY 1 2.398 10.554 -1.916 5 HA3 GLY 1 HA3 GLY 1 1.908 9.208 -2.700 6 H ASN 2 H ASN 2 -0.251 9.147 -2.363 7 HA ASN 2 HA ASN 2 -1.329 9.781 0.141 8 HB2 ASN 2 HB2 ASN 2 -2.546 8.386 -2.103 9 HB3 ASN 2 HB3 ASN 2 -3.404 8.907 -0.815 10 HD21 ASN 2 HD21 ASN 2 -3.657 11.195 -0.398 11 HD22 ASN 2 HD22 ASN 2 -3.531 12.294 -1.730 12 H HIS 3 H HIS 3 -0.549 6.787 -1.381 13 HA HIS 3 HA HIS 3 -0.205 5.464 1.044 14 HB2 HIS 3 HB2 HIS 3 -2.728 5.590 0.703 15 HB3 HIS 3 HB3 HIS 3 -2.453 4.311 -0.274 16 HD2 HIS 3 HD2 HIS 3 -0.272 2.936 1.826 17 HE1 HIS 3 HE1 HIS 3 -3.583 2.616 4.202 18 HE2 HIS 3 HE2 HIS 3 -1.278 1.772 3.910 19 H TRP 4 H TRP 4 1.623 4.457 0.507 20 HA TRP 4 HA TRP 4 1.646 3.063 -2.017 21 HB2 TRP 4 HB2 TRP 4 3.475 4.611 -1.502 22 HB3 TRP 4 HB3 TRP 4 3.924 3.594 -0.307 23 HD1 TRP 4 HD1 TRP 4 4.311 4.061 -3.929 24 HE1 TRP 4 HE1 TRP 4 5.786 2.295 -4.982 25 HE3 TRP 4 HE3 TRP 4 4.623 1.004 0.016 26 HZ2 TRP 4 HZ2 TRP 4 6.891 -0.112 -4.095 27 HZ3 TRP 4 HZ3 TRP 4 5.901 -0.995 -0.172 28 HH2 TRP 4 HH2 TRP 4 7.023 -1.547 -2.197 29 H ALA 5 H ALA 5 1.811 2.542 1.346 30 HA ALA 5 HA ALA 5 2.719 -0.079 1.330 31 HB1 ALA 5 HB1 ALA 5 1.010 1.182 3.272 32 HB2 ALA 5 HB2 ALA 5 1.814 -0.216 3.528 33 HB3 ALA 5 HB3 ALA 5 2.642 1.176 3.324 34 H VAL 6 H VAL 6 -0.319 1.227 0.561 35 HA VAL 6 HA VAL 6 -1.913 -0.991 0.931 36 HB VAL 6 HB VAL 6 -2.774 1.193 0.381 37 HG11 VAL 6 HG11 VAL 6 -1.911 0.628 -2.302 38 HG12 VAL 6 HG12 VAL 6 -2.829 1.907 -1.869 39 HG13 VAL 6 HG13 VAL 6 -1.290 1.788 -1.335 40 HG21 VAL 6 HG21 VAL 6 -4.259 -0.654 0.174 41 HG22 VAL 6 HG22 VAL 6 -4.594 0.455 -0.977 42 HG23 VAL 6 HG23 VAL 6 -3.758 -0.894 -1.362 43 H GLY 7 H GLY 7 0.403 -0.372 -1.469 44 HA2 GLY 7 HA2 GLY 7 -0.546 -2.521 -3.122 45 HA3 GLY 7 HA3 GLY 7 0.679 -1.503 -3.483 46 H HIS 8 H HIS 8 0.704 -2.870 -0.398 47 HA HIS 8 HA HIS 8 2.746 -4.758 -1.225 48 HB2 HIS 8 HB2 HIS 8 3.746 -3.005 0.007 49 HB3 HIS 8 HB3 HIS 8 2.681 -3.228 1.224 50 HD2 HIS 8 HD2 HIS 8 3.685 -4.715 3.223 51 HE1 HIS 8 HE1 HIS 8 6.553 -6.692 1.085 52 HE2 HIS 8 HE2 HIS 8 5.628 -6.419 3.362 53 H LEU 9 H LEU 9 0.072 -4.157 0.845 54 HA LEU 9 HA LEU 9 0.121 -6.863 1.829 55 HB2 LEU 9 HB2 LEU 9 -1.699 -4.773 2.595 56 HB3 LEU 9 HB3 LEU 9 -1.478 -6.186 3.383 57 HG LEU 9 HG LEU 9 0.647 -4.276 3.234 58 HD11 LEU 9 HD11 LEU 9 -1.369 -4.342 5.299 59 HD12 LEU 9 HD12 LEU 9 -0.033 -3.403 5.338 60 HD13 LEU 9 HD13 LEU 9 -1.191 -3.130 4.220 61 HD21 LEU 9 HD21 LEU 9 1.264 -6.421 3.910 62 HD22 LEU 9 HD22 LEU 9 1.446 -5.390 5.163 63 HD23 LEU 9 HD23 LEU 9 0.151 -6.383 5.104 64 H MET 10 H MET 10 -2.373 -4.735 0.605 65 HA MET 10 HA MET 10 -4.083 -6.817 -0.108 66 HB2 MET 10 HB2 MET 10 -4.118 -4.132 -1.175 67 HB3 MET 10 HB3 MET 10 -5.387 -5.159 -1.164 68 HG2 MET 10 HG2 MET 10 -4.211 -4.037 1.197 69 HG3 MET 10 HG3 MET 10 -5.577 -3.474 0.500 70 HE1 MET 10 HE1 MET 10 -6.073 -3.900 3.348 71 HE2 MET 10 HE2 MET 10 -7.330 -3.694 2.326 72 HE3 MET 10 HE3 MET 10 -7.367 -4.892 3.435 Start of MODEL 19 1 H1 GLY 1 H GLY 1 1.327 10.372 -4.176 2 H2 GLY 1 H2 GLY 1 0.180 11.219 -4.972 3 H3 GLY 1 H3 GLY 1 0.691 11.717 -3.503 4 HA2 GLY 1 HA2 GLY 1 -1.362 10.669 -3.350 5 HA3 GLY 1 HA3 GLY 1 -0.726 9.324 -4.022 6 H ASN 2 H ASN 2 -2.021 9.807 -1.408 7 HA ASN 2 HA ASN 2 0.167 9.132 0.334 8 HB2 ASN 2 HB2 ASN 2 -1.385 10.916 1.015 9 HB3 ASN 2 HB3 ASN 2 -2.557 9.784 1.113 10 HD21 ASN 2 HD21 ASN 2 -3.024 8.961 3.064 11 HD22 ASN 2 HD22 ASN 2 -1.901 8.925 4.382 12 H HIS 3 H HIS 3 0.045 7.087 -1.097 13 HA HIS 3 HA HIS 3 -0.948 5.058 0.593 14 HB2 HIS 3 HB2 HIS 3 -2.428 5.709 -1.741 15 HB3 HIS 3 HB3 HIS 3 -2.232 4.118 -1.427 16 HD2 HIS 3 HD2 HIS 3 -3.376 3.304 1.087 17 HE1 HIS 3 HE1 HIS 3 -5.965 6.465 1.174 18 HE2 HIS 3 HE2 HIS 3 -5.481 4.283 2.231 19 H TRP 4 H TRP 4 0.930 3.986 0.737 20 HA TRP 4 HA TRP 4 2.036 3.072 -1.777 21 HB2 TRP 4 HB2 TRP 4 3.427 4.688 -0.482 22 HB3 TRP 4 HB3 TRP 4 3.657 3.468 0.578 23 HD1 TRP 4 HD1 TRP 4 5.068 4.801 -2.491 24 HE1 TRP 4 HE1 TRP 4 6.898 3.345 -3.459 25 HE3 TRP 4 HE3 TRP 4 4.324 0.780 0.386 26 HZ2 TRP 4 HZ2 TRP 4 7.817 0.758 -2.943 27 HZ3 TRP 4 HZ3 TRP 4 5.711 -1.129 0.083 28 HH2 TRP 4 HH2 TRP 4 7.436 -1.142 -1.558 29 H ALA 5 H ALA 5 2.019 2.291 1.625 30 HA ALA 5 HA ALA 5 2.702 -0.365 1.360 31 HB1 ALA 5 HB1 ALA 5 1.101 0.819 3.436 32 HB2 ALA 5 HB2 ALA 5 1.821 -0.642 3.553 33 HB3 ALA 5 HB3 ALA 5 2.730 0.712 3.455 34 H VAL 6 H VAL 6 -0.268 1.179 0.776 35 HA VAL 6 HA VAL 6 -2.021 -0.906 1.004 36 HB VAL 6 HB VAL 6 -2.672 1.364 0.489 37 HG11 VAL 6 HG11 VAL 6 -1.852 0.754 -2.198 38 HG12 VAL 6 HG12 VAL 6 -2.653 2.105 -1.752 39 HG13 VAL 6 HG13 VAL 6 -1.133 1.841 -1.215 40 HG21 VAL 6 HG21 VAL 6 -4.316 -0.342 0.253 41 HG22 VAL 6 HG22 VAL 6 -4.546 0.806 -0.885 42 HG23 VAL 6 HG23 VAL 6 -3.832 -0.607 -1.284 43 H GLY 7 H GLY 7 0.345 -0.388 -1.387 44 HA2 GLY 7 HA2 GLY 7 -0.740 -2.370 -3.135 45 HA3 GLY 7 HA3 GLY 7 0.634 -1.521 -3.378 46 H HIS 8 H HIS 8 1.613 -2.206 -0.677 47 HA HIS 8 HA HIS 8 2.940 -4.595 -1.395 48 HB2 HIS 8 HB2 HIS 8 4.094 -2.957 -0.138 49 HB3 HIS 8 HB3 HIS 8 3.020 -3.114 1.083 50 HD2 HIS 8 HD2 HIS 8 3.908 -4.717 3.042 51 HE1 HIS 8 HE1 HIS 8 6.574 -6.899 0.836 52 HE2 HIS 8 HE2 HIS 8 5.696 -6.589 3.131 53 H LEU 9 H LEU 9 0.247 -3.814 0.547 54 HA LEU 9 HA LEU 9 0.102 -6.485 1.613 55 HB2 LEU 9 HB2 LEU 9 -1.771 -4.392 2.185 56 HB3 LEU 9 HB3 LEU 9 -1.443 -5.701 3.105 57 HG LEU 9 HG LEU 9 0.458 -3.578 2.772 58 HD11 LEU 9 HD11 LEU 9 -1.430 -3.852 4.937 59 HD12 LEU 9 HD12 LEU 9 -0.238 -2.737 4.884 60 HD13 LEU 9 HD13 LEU 9 -1.473 -2.664 3.818 61 HD21 LEU 9 HD21 LEU 9 1.402 -5.590 3.472 62 HD22 LEU 9 HD22 LEU 9 1.494 -4.503 4.687 63 HD23 LEU 9 HD23 LEU 9 0.352 -5.669 4.720 64 H MET 10 H MET 10 -2.011 -4.283 -0.088 65 HA MET 10 HA MET 10 -3.650 -6.486 -0.927 66 HB2 MET 10 HB2 MET 10 -4.065 -3.669 -1.415 67 HB3 MET 10 HB3 MET 10 -5.169 -4.839 -1.692 68 HG2 MET 10 HG2 MET 10 -5.247 -5.254 0.661 69 HG3 MET 10 HG3 MET 10 -4.245 -3.984 0.884 70 HE1 MET 10 HE1 MET 10 -7.582 -4.824 -0.859 71 HE2 MET 10 HE2 MET 10 -7.740 -5.095 0.743 72 HE3 MET 10 HE3 MET 10 -8.602 -3.908 0.027 Start of MODEL 20 1 H1 GLY 1 H GLY 1 3.887 8.369 -1.200 2 H2 GLY 1 H2 GLY 1 4.447 9.196 -2.492 3 H3 GLY 1 H3 GLY 1 3.920 10.001 -1.172 4 HA2 GLY 1 HA2 GLY 1 2.342 10.062 -2.859 5 HA3 GLY 1 HA3 GLY 1 2.308 8.430 -2.886 6 H ASN 2 H ASN 2 -0.072 9.057 -2.639 7 HA ASN 2 HA ASN 2 -0.861 9.882 -0.085 8 HB2 ASN 2 HB2 ASN 2 -3.088 9.216 -0.831 9 HB3 ASN 2 HB3 ASN 2 -2.351 10.181 -1.922 10 HD21 ASN 2 HD21 ASN 2 -1.666 9.410 -3.943 11 HD22 ASN 2 HD22 ASN 2 -2.177 7.855 -4.509 12 H HIS 3 H HIS 3 -0.353 6.799 -1.486 13 HA HIS 3 HA HIS 3 -0.051 5.541 0.971 14 HB2 HIS 3 HB2 HIS 3 -2.559 5.834 0.725 15 HB3 HIS 3 HB3 HIS 3 -2.423 4.530 -0.249 16 HD2 HIS 3 HD2 HIS 3 -0.371 2.860 1.665 17 HE1 HIS 3 HE1 HIS 3 -3.435 3.063 4.367 18 HE2 HIS 3 HE2 HIS 3 -1.328 1.865 3.853 19 H TRP 4 H TRP 4 1.681 4.382 0.427 20 HA TRP 4 HA TRP 4 1.514 2.875 -2.027 21 HB2 TRP 4 HB2 TRP 4 3.442 4.272 -1.857 22 HB3 TRP 4 HB3 TRP 4 3.853 3.547 -0.453 23 HD1 TRP 4 HD1 TRP 4 4.285 3.160 -4.074 24 HE1 TRP 4 HE1 TRP 4 5.692 1.147 -4.677 25 HE3 TRP 4 HE3 TRP 4 4.432 1.061 0.461 26 HZ2 TRP 4 HZ2 TRP 4 6.688 -1.039 -3.253 27 HZ3 TRP 4 HZ3 TRP 4 5.626 -0.979 0.750 28 HH2 TRP 4 HH2 TRP 4 6.742 -2.014 -1.080 29 H ALA 5 H ALA 5 1.806 2.535 1.347 30 HA ALA 5 HA ALA 5 2.629 -0.082 1.518 31 HB1 ALA 5 HB1 ALA 5 0.842 1.289 3.308 32 HB2 ALA 5 HB2 ALA 5 1.634 -0.090 3.679 33 HB3 ALA 5 HB3 ALA 5 2.471 1.290 3.426 34 H VAL 6 H VAL 6 -0.394 1.171 0.584 35 HA VAL 6 HA VAL 6 -1.941 -1.097 0.990 36 HB VAL 6 HB VAL 6 -2.928 1.019 0.511 37 HG11 VAL 6 HG11 VAL 6 -1.919 0.710 -2.164 38 HG12 VAL 6 HG12 VAL 6 -2.928 1.899 -1.680 39 HG13 VAL 6 HG13 VAL 6 -1.410 1.824 -1.084 40 HG21 VAL 6 HG21 VAL 6 -4.291 -0.886 0.098 41 HG22 VAL 6 HG22 VAL 6 -4.642 0.287 -0.983 42 HG23 VAL 6 HG23 VAL 6 -3.712 -0.980 -1.426 43 H GLY 7 H GLY 7 0.293 -0.328 -1.461 44 HA2 GLY 7 HA2 GLY 7 -0.583 -2.507 -3.112 45 HA3 GLY 7 HA3 GLY 7 0.582 -1.427 -3.490 46 H HIS 8 H HIS 8 0.755 -2.819 -0.423 47 HA HIS 8 HA HIS 8 2.864 -4.596 -1.322 48 HB2 HIS 8 HB2 HIS 8 3.762 -2.775 -0.077 49 HB3 HIS 8 HB3 HIS 8 2.788 -3.153 1.178 50 HD2 HIS 8 HD2 HIS 8 3.861 -4.875 2.970 51 HE1 HIS 8 HE1 HIS 8 7.055 -6.067 0.712 52 HE2 HIS 8 HE2 HIS 8 6.034 -6.281 2.957 53 H LEU 9 H LEU 9 0.264 -4.137 0.894 54 HA LEU 9 HA LEU 9 0.455 -6.855 1.814 55 HB2 LEU 9 HB2 LEU 9 -1.494 -4.919 2.650 56 HB3 LEU 9 HB3 LEU 9 -1.074 -6.281 3.446 57 HG LEU 9 HG LEU 9 0.744 -4.081 3.165 58 HD11 LEU 9 HD11 LEU 9 -1.143 -3.308 4.388 59 HD12 LEU 9 HD12 LEU 9 -1.001 -4.574 5.409 60 HD13 LEU 9 HD13 LEU 9 0.156 -3.422 5.371 61 HD21 LEU 9 HD21 LEU 9 1.781 -6.111 3.653 62 HD22 LEU 9 HD22 LEU 9 1.918 -5.115 4.940 63 HD23 LEU 9 HD23 LEU 9 0.810 -6.315 4.950 64 H MET 10 H MET 10 -2.222 -4.870 0.753 65 HA MET 10 HA MET 10 -3.131 -7.014 -0.933 66 HB2 MET 10 HB2 MET 10 -5.405 -6.710 -0.082 67 HB3 MET 10 HB3 MET 10 -4.393 -7.446 0.967 68 HG2 MET 10 HG2 MET 10 -4.077 -5.308 2.034 69 HG3 MET 10 HG3 MET 10 -5.262 -4.718 1.078 70 HE1 MET 10 HE1 MET 10 -4.612 -7.637 3.516 71 HE2 MET 10 HE2 MET 10 -4.470 -6.226 4.325 72 HE3 MET 10 HE3 MET 10 -5.677 -7.261 4.696
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