NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
595658 | 2n0b | 25519 | 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 H1 GLY 1 11.807 1.289 9.469 2 H2 GLY 1 H2 GLY 1 10.346 1.702 8.824 3 H3 GLY 1 H3 GLY 1 11.122 0.341 8.306 4 HA2 GLY 1 HA2 GLY 1 12.056 3.083 7.962 5 HA3 GLY 1 HA3 GLY 1 12.898 1.624 7.406 6 H ASN 2 H ASN 2 11.405 0.121 6.047 7 HA ASN 2 HA ASN 2 10.135 1.880 4.002 8 HB2 ASN 2 HB2 ASN 2 12.118 0.210 3.551 9 HB3 ASN 2 HB3 ASN 2 10.828 -1.008 3.529 10 HD21 ASN 2 HD21 ASN 2 12.112 -0.884 1.250 11 HD22 ASN 2 HD22 ASN 2 11.239 0.013 0.028 12 H HIS 3 H HIS 3 8.069 1.608 3.348 13 HA HIS 3 HA HIS 3 6.416 -0.209 5.011 14 HB2 HIS 3 HB3 HIS 3 5.713 2.099 3.168 15 HB3 HIS 3 HB2 HIS 3 4.513 1.081 3.985 16 HD2 HIS 3 HD2 HIS 3 5.188 4.394 4.612 17 HE1 HIS 3 HE1 HIS 3 6.110 2.788 8.429 18 HE2 HIS 3 HE2 HIS 3 5.563 4.926 7.155 19 H TRP 4 H TRP 4 6.589 -2.220 4.143 20 HA TRP 4 HA TRP 4 6.682 -2.815 1.365 21 HB2 TRP 4 HB2 TRP 4 6.612 -4.244 3.840 22 HB3 TRP 4 HB3 TRP 4 5.390 -4.948 2.766 23 HD1 TRP 4 HD1 TRP 4 8.687 -5.767 3.676 24 HE1 TRP 4 HE1 TRP 4 10.087 -6.816 1.778 25 HE3 TRP 4 HE3 TRP 4 5.797 -4.331 -0.287 26 HZ2 TRP 4 HZ2 TRP 4 9.949 -6.992 -1.024 27 HZ3 TRP 4 HZ3 TRP 4 6.499 -4.981 -2.557 28 HH2 TRP 4 HH2 TRP 4 8.548 -6.297 -2.918 29 H ALA 5 H ALA 5 3.922 -3.294 3.614 30 HA ALA 5 HA ALA 5 2.090 -2.342 1.510 31 HB1 ALA 5 HB1 ALA 5 0.674 -4.357 1.643 32 HB2 ALA 5 HB2 ALA 5 2.294 -4.725 1.003 33 HB3 ALA 5 HB3 ALA 5 1.889 -5.133 2.687 34 H VAL 6 H VAL 6 1.206 -0.735 2.649 35 HA VAL 6 HA VAL 6 0.681 -0.895 5.478 36 HB VAL 6 HB VAL 6 -0.460 1.015 3.410 37 HG11 VAL 6 HG11 VAL 6 -1.757 0.942 5.505 38 HG12 VAL 6 HG12 VAL 6 -0.270 1.262 6.430 39 HG13 VAL 6 HG13 VAL 6 -0.903 2.492 5.309 40 HG21 VAL 6 HG21 VAL 6 2.003 1.029 3.479 41 HG22 VAL 6 HG22 VAL 6 1.946 1.313 5.235 42 HG23 VAL 6 HG23 VAL 6 1.314 2.543 4.114 43 H GLY 7 H GLY 7 -1.685 -0.453 2.811 44 HA2 GLY 7 HA3 GLY 7 -3.312 -2.659 3.409 45 HA3 GLY 7 HA2 GLY 7 -3.870 -1.333 4.447 46 H HIS 8 H HIS 8 -4.022 0.851 3.146 47 HA HIS 8 HA HIS 8 -5.401 0.232 0.567 48 HB2 HIS 8 HB2 HIS 8 -6.849 0.825 2.630 49 HB3 HIS 8 HB3 HIS 8 -6.238 2.472 2.406 50 HD2 HIS 8 HD2 HIS 8 -6.702 1.073 -1.036 51 HE1 HIS 8 HE1 HIS 8 -10.432 2.829 -0.035 52 HE2 HIS 8 HE2 HIS 8 -9.031 1.876 -1.939 53 H LEU 9 H LEU 9 -2.662 0.958 0.837 54 HA LEU 9 HA LEU 9 -2.697 3.764 -0.188 55 HB2 LEU 9 HB2 LEU 9 -1.313 3.125 1.873 56 HB3 LEU 9 HB3 LEU 9 -0.266 2.239 0.759 57 HG LEU 9 HG LEU 9 -0.856 5.129 0.223 58 HD11 LEU 9 HD11 LEU 9 -0.279 5.033 2.617 59 HD12 LEU 9 HD12 LEU 9 1.003 5.812 1.659 60 HD13 LEU 9 HD13 LEU 9 1.204 4.134 2.218 61 HD21 LEU 9 HD21 LEU 9 0.406 3.775 -1.405 62 HD22 LEU 9 HD22 LEU 9 1.406 5.072 -0.707 63 HD23 LEU 9 HD23 LEU 9 1.608 3.394 -0.148 64 H MET 10 H MET 10 -1.995 4.216 -2.194 65 HA MET 10 HA MET 10 -0.990 1.905 -3.804 66 HB2 MET 10 HB2 MET 10 -3.318 3.037 -4.270 67 HB3 MET 10 HB3 MET 10 -2.334 4.296 -5.037 68 HG2 MET 10 HG3 MET 10 -1.324 2.592 -6.509 69 HG3 MET 10 HG2 MET 10 -2.325 1.346 -5.738 70 HE1 MET 10 HE1 MET 10 -5.937 2.313 -6.838 71 HE2 MET 10 HE2 MET 10 -5.107 2.725 -5.318 72 HE3 MET 10 HE3 MET 10 -4.910 1.104 -6.028 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 12.652 0.765 -0.335 2 H2 GLY 1 H2 GLY 1 13.415 0.855 1.124 3 H3 GLY 1 H3 GLY 1 12.754 -0.571 0.626 4 HA2 GLY 1 HA3 GLY 1 11.283 1.877 1.226 5 HA3 GLY 1 HA2 GLY 1 10.578 0.338 0.694 6 H ASN 2 H ASN 2 10.027 1.820 3.131 7 HA ASN 2 HA ASN 2 11.197 0.025 5.198 8 HB2 ASN 2 HB3 ASN 2 11.073 2.674 5.293 9 HB3 ASN 2 HB2 ASN 2 9.420 2.352 5.852 10 HD21 ASN 2 HD21 ASN 2 9.094 1.928 7.954 11 HD22 ASN 2 HD22 ASN 2 10.350 1.535 9.107 12 H HIS 3 H HIS 3 8.203 0.950 3.614 13 HA HIS 3 HA HIS 3 6.849 -1.263 5.085 14 HB2 HIS 3 HB2 HIS 3 5.837 1.544 4.611 15 HB3 HIS 3 HB3 HIS 3 4.744 0.188 4.941 16 HD2 HIS 3 HD2 HIS 3 6.257 -1.227 7.422 17 HE1 HIS 3 HE1 HIS 3 6.224 2.626 9.199 18 HE2 HIS 3 HE2 HIS 3 6.496 0.133 9.655 19 H TRP 4 H TRP 4 6.257 -2.755 3.685 20 HA TRP 4 HA TRP 4 6.212 -2.330 0.856 21 HB2 TRP 4 HB3 TRP 4 6.019 -4.525 2.657 22 HB3 TRP 4 HB2 TRP 4 4.598 -4.589 1.599 23 HD1 TRP 4 HD1 TRP 4 7.771 -6.150 1.679 24 HE1 TRP 4 HE1 TRP 4 8.737 -6.676 -0.657 25 HE3 TRP 4 HE3 TRP 4 4.794 -3.057 -1.096 26 HZ2 TRP 4 HZ2 TRP 4 8.275 -5.862 -3.309 27 HZ3 TRP 4 HZ3 TRP 4 5.118 -2.983 -3.536 28 HH2 TRP 4 HH2 TRP 4 6.832 -4.372 -4.627 29 H ALA 5 H ALA 5 3.468 -3.238 2.986 30 HA ALA 5 HA ALA 5 1.768 -1.296 1.548 31 HB1 ALA 5 HB1 ALA 5 0.034 -2.986 1.086 32 HB2 ALA 5 HB2 ALA 5 1.548 -3.333 0.216 33 HB3 ALA 5 HB3 ALA 5 1.128 -4.260 1.676 34 H VAL 6 H VAL 6 1.306 -0.104 3.310 35 HA VAL 6 HA VAL 6 0.839 -1.173 5.917 36 HB VAL 6 HB VAL 6 -0.123 1.458 4.740 37 HG11 VAL 6 HG11 VAL 6 -1.298 0.814 6.808 38 HG12 VAL 6 HG12 VAL 6 0.267 0.615 7.630 39 HG13 VAL 6 HG13 VAL 6 -0.240 2.223 7.060 40 HG21 VAL 6 HG21 VAL 6 2.314 1.157 4.557 41 HG22 VAL 6 HG22 VAL 6 2.399 0.817 6.302 42 HG23 VAL 6 HG23 VAL 6 1.891 2.425 5.732 43 H GLY 7 H GLY 7 -1.243 -0.666 3.135 44 HA2 GLY 7 HA2 GLY 7 -3.237 -2.425 4.055 45 HA3 GLY 7 HA3 GLY 7 -3.740 -0.790 4.526 46 H HIS 8 H HIS 8 -4.497 0.626 3.003 47 HA HIS 8 HA HIS 8 -5.215 -0.597 0.423 48 HB2 HIS 8 HB3 HIS 8 -6.790 0.765 1.912 49 HB3 HIS 8 HB2 HIS 8 -5.881 2.191 1.383 50 HD2 HIS 8 HD2 HIS 8 -6.278 -0.223 -1.526 51 HE1 HIS 8 HE1 HIS 8 -9.462 2.564 -1.832 52 HE2 HIS 8 HE2 HIS 8 -8.203 0.708 -3.044 53 H LEU 9 H LEU 9 -2.573 -0.417 0.361 54 HA LEU 9 HA LEU 9 -0.826 0.396 -0.900 55 HB2 LEU 9 HB2 LEU 9 -2.831 0.461 -2.577 56 HB3 LEU 9 HB3 LEU 9 -2.715 2.213 -2.375 57 HG LEU 9 HG LEU 9 -0.249 1.949 -3.033 58 HD11 LEU 9 HD11 LEU 9 -0.133 -0.492 -2.720 59 HD12 LEU 9 HD12 LEU 9 -1.307 -0.712 -4.040 60 HD13 LEU 9 HD13 LEU 9 0.297 -0.018 -4.381 61 HD21 LEU 9 HD21 LEU 9 -1.987 2.927 -4.483 62 HD22 LEU 9 HD22 LEU 9 -2.398 1.300 -5.078 63 HD23 LEU 9 HD23 LEU 9 -0.794 1.994 -5.419 64 H MET 10 H MET 10 -1.335 1.621 1.569 65 HA MET 10 HA MET 10 -0.748 3.479 2.797 66 HB2 MET 10 HB3 MET 10 0.826 4.011 0.262 67 HB3 MET 10 HB2 MET 10 0.948 5.021 1.713 68 HG2 MET 10 HG2 MET 10 1.830 3.231 3.005 69 HG3 MET 10 HG3 MET 10 1.444 2.038 1.749 70 HE1 MET 10 HE1 MET 10 4.971 5.006 1.781 71 HE2 MET 10 HE2 MET 10 3.985 4.517 3.180 72 HE3 MET 10 HE3 MET 10 3.289 5.570 1.925 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 10.060 3.701 -1.596 2 H2 GLY 1 H2 GLY 1 11.287 3.778 -0.497 3 H3 GLY 1 H3 GLY 1 10.675 2.314 -0.948 4 HA2 GLY 1 HA2 GLY 1 9.231 4.400 0.490 5 HA3 GLY 1 HA3 GLY 1 8.578 2.820 0.015 6 H ASN 2 H ASN 2 8.280 3.235 2.549 7 HA ASN 2 HA ASN 2 10.601 1.901 3.882 8 HB2 ASN 2 HB2 ASN 2 8.519 3.784 5.039 9 HB3 ASN 2 HB3 ASN 2 9.743 2.921 5.991 10 HD21 ASN 2 HD21 ASN 2 12.065 3.273 5.259 11 HD22 ASN 2 HD22 ASN 2 12.501 4.899 4.784 12 H HIS 3 H HIS 3 7.128 1.951 3.347 13 HA HIS 3 HA HIS 3 6.908 -0.582 4.919 14 HB2 HIS 3 HB2 HIS 3 4.473 -0.067 5.021 15 HB3 HIS 3 HB3 HIS 3 5.493 1.112 5.864 16 HD2 HIS 3 HD2 HIS 3 5.727 3.638 4.529 17 HE1 HIS 3 HE1 HIS 3 2.371 2.955 2.024 18 HE2 HIS 3 HE2 HIS 3 4.006 4.720 2.868 19 H TRP 4 H TRP 4 6.390 -2.402 3.900 20 HA TRP 4 HA TRP 4 6.346 -2.512 1.044 21 HB2 TRP 4 HB2 TRP 4 6.356 -4.350 3.255 22 HB3 TRP 4 HB3 TRP 4 5.118 -4.854 2.091 23 HD1 TRP 4 HD1 TRP 4 8.401 -5.857 2.779 24 HE1 TRP 4 HE1 TRP 4 9.781 -6.523 0.703 25 HE3 TRP 4 HE3 TRP 4 5.517 -3.625 -0.799 26 HZ2 TRP 4 HZ2 TRP 4 9.633 -6.134 -2.078 27 HZ3 TRP 4 HZ3 TRP 4 6.201 -3.817 -3.158 28 HH2 TRP 4 HH2 TRP 4 8.235 -5.055 -3.786 29 H ALA 5 H ALA 5 3.724 -3.322 3.361 30 HA ALA 5 HA ALA 5 1.782 -2.035 1.557 31 HB1 ALA 5 HB1 ALA 5 0.337 -4.030 1.468 32 HB2 ALA 5 HB2 ALA 5 1.904 -4.309 0.673 33 HB3 ALA 5 HB3 ALA 5 1.600 -4.973 2.296 34 H VAL 6 H VAL 6 1.012 -0.615 2.991 35 HA VAL 6 HA VAL 6 0.566 -1.349 5.778 36 HB VAL 6 HB VAL 6 1.250 0.947 5.077 37 HG11 VAL 6 HG11 VAL 6 -0.111 1.084 3.027 38 HG12 VAL 6 HG12 VAL 6 -1.590 1.126 4.017 39 HG13 VAL 6 HG13 VAL 6 -0.416 2.461 4.114 40 HG21 VAL 6 HG21 VAL 6 0.172 0.528 7.252 41 HG22 VAL 6 HG22 VAL 6 -1.423 0.798 6.509 42 HG23 VAL 6 HG23 VAL 6 -0.249 2.132 6.606 43 H GLY 7 H GLY 7 -1.304 -1.259 2.830 44 HA2 GLY 7 HA3 GLY 7 -3.318 -2.663 2.798 45 HA3 GLY 7 HA2 GLY 7 -3.672 -2.100 4.444 46 H HIS 8 H HIS 8 -2.512 0.071 1.940 47 HA HIS 8 HA HIS 8 -5.277 1.156 1.653 48 HB2 HIS 8 HB2 HIS 8 -2.734 2.636 2.342 49 HB3 HIS 8 HB3 HIS 8 -4.115 3.455 1.591 50 HD2 HIS 8 HD2 HIS 8 -2.882 3.517 4.907 51 HE1 HIS 8 HE1 HIS 8 -6.971 2.611 5.581 52 HE2 HIS 8 HE2 HIS 8 -4.821 3.439 6.671 53 H LEU 9 H LEU 9 -3.767 -0.607 -0.083 54 HA LEU 9 HA LEU 9 -3.503 1.220 -2.435 55 HB2 LEU 9 HB2 LEU 9 -1.943 -1.332 -1.974 56 HB3 LEU 9 HB3 LEU 9 -1.759 -0.204 -3.322 57 HG LEU 9 HG LEU 9 -1.157 0.455 -0.427 58 HD11 LEU 9 HD11 LEU 9 0.351 -1.289 -1.301 59 HD12 LEU 9 HD12 LEU 9 0.742 -0.247 -2.689 60 HD13 LEU 9 HD13 LEU 9 1.203 0.252 -1.044 61 HD21 LEU 9 HD21 LEU 9 -1.746 2.392 -1.832 62 HD22 LEU 9 HD22 LEU 9 -0.031 2.419 -1.356 63 HD23 LEU 9 HD23 LEU 9 -0.491 1.919 -3.002 64 H MET 10 H MET 10 -5.838 0.719 -2.599 65 HA MET 10 HA MET 10 -6.330 -2.008 -3.700 66 HB2 MET 10 HB2 MET 10 -8.295 0.122 -2.797 67 HB3 MET 10 HB3 MET 10 -8.718 -1.497 -3.382 68 HG2 MET 10 HG3 MET 10 -7.376 -2.437 -1.464 69 HG3 MET 10 HG2 MET 10 -7.215 -0.779 -0.853 70 HE1 MET 10 HE1 MET 10 -10.928 -3.465 -0.711 71 HE2 MET 10 HE2 MET 10 -10.020 -3.253 -2.227 72 HE3 MET 10 HE3 MET 10 -9.222 -3.966 -0.805 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 9.336 -0.446 11.530 2 H2 GLY 1 H2 GLY 1 8.550 -1.452 10.487 3 H3 GLY 1 H3 GLY 1 8.827 0.118 10.066 4 HA2 GLY 1 HA3 GLY 1 11.260 -0.457 10.408 5 HA3 GLY 1 HA2 GLY 1 10.659 -2.113 10.199 6 H ASN 2 H ASN 2 8.814 -2.008 8.291 7 HA ASN 2 HA ASN 2 10.192 -0.699 5.983 8 HB2 ASN 2 HB2 ASN 2 9.192 -2.769 4.713 9 HB3 ASN 2 HB3 ASN 2 10.732 -2.910 5.582 10 HD21 ASN 2 HD21 ASN 2 10.887 -4.819 6.567 11 HD22 ASN 2 HD22 ASN 2 9.595 -5.639 7.415 12 H HIS 3 H HIS 3 8.796 -0.396 4.077 13 HA HIS 3 HA HIS 3 5.948 0.037 4.884 14 HB2 HIS 3 HB2 HIS 3 6.011 1.995 3.285 15 HB3 HIS 3 HB3 HIS 3 6.914 2.201 4.796 16 HD2 HIS 3 HD2 HIS 3 7.501 2.101 0.964 17 HE1 HIS 3 HE1 HIS 3 11.263 2.668 2.836 18 HE2 HIS 3 HE2 HIS 3 10.039 2.658 0.605 19 H TRP 4 H TRP 4 6.010 -2.259 3.926 20 HA TRP 4 HA TRP 4 6.220 -2.428 1.027 21 HB2 TRP 4 HB2 TRP 4 5.880 -4.241 3.273 22 HB3 TRP 4 HB3 TRP 4 4.758 -4.639 1.959 23 HD1 TRP 4 HD1 TRP 4 7.932 -5.783 3.057 24 HE1 TRP 4 HE1 TRP 4 9.465 -6.603 1.149 25 HE3 TRP 4 HE3 TRP 4 5.484 -3.623 -0.875 26 HZ2 TRP 4 HZ2 TRP 4 9.586 -6.350 -1.649 27 HZ3 TRP 4 HZ3 TRP 4 6.371 -3.958 -3.147 28 HH2 TRP 4 HH2 TRP 4 8.397 -5.305 -3.528 29 H ALA 5 H ALA 5 3.450 -3.164 3.184 30 HA ALA 5 HA ALA 5 1.696 -1.593 1.394 31 HB1 ALA 5 HB1 ALA 5 0.091 -3.454 1.177 32 HB2 ALA 5 HB2 ALA 5 1.238 -4.530 2.010 33 HB3 ALA 5 HB3 ALA 5 1.658 -3.838 0.425 34 H VAL 6 H VAL 6 1.321 -0.150 3.041 35 HA VAL 6 HA VAL 6 0.776 -0.739 5.727 36 HB VAL 6 HB VAL 6 1.133 1.542 4.959 37 HG11 VAL 6 HG11 VAL 6 -0.013 1.355 2.786 38 HG12 VAL 6 HG12 VAL 6 -1.583 1.309 3.624 39 HG13 VAL 6 HG13 VAL 6 -0.572 2.771 3.709 40 HG21 VAL 6 HG21 VAL 6 -0.116 1.178 7.052 41 HG22 VAL 6 HG22 VAL 6 -0.632 2.667 6.225 42 HG23 VAL 6 HG23 VAL 6 -1.644 1.205 6.140 43 H GLY 7 H GLY 7 -1.318 -0.972 2.904 44 HA2 GLY 7 HA2 GLY 7 -3.057 -2.837 3.581 45 HA3 GLY 7 HA3 GLY 7 -3.635 -1.554 4.662 46 H HIS 8 H HIS 8 -3.305 0.681 3.027 47 HA HIS 8 HA HIS 8 -5.613 0.326 1.262 48 HB2 HIS 8 HB2 HIS 8 -5.067 2.344 2.786 49 HB3 HIS 8 HB3 HIS 8 -3.946 2.831 1.503 50 HD2 HIS 8 HD2 HIS 8 -5.154 3.715 -0.876 51 HE1 HIS 8 HE1 HIS 8 -9.103 3.740 0.677 52 HE2 HIS 8 HE2 HIS 8 -7.639 4.462 -1.281 53 H LEU 9 H LEU 9 -3.960 -1.314 0.138 54 HA LEU 9 HA LEU 9 -2.829 0.196 -2.182 55 HB2 LEU 9 HB2 LEU 9 -1.124 -0.825 -0.622 56 HB3 LEU 9 HB3 LEU 9 -1.751 -2.412 -1.084 57 HG LEU 9 HG LEU 9 -0.828 -0.525 -3.223 58 HD11 LEU 9 HD11 LEU 9 0.957 -0.482 -1.526 59 HD12 LEU 9 HD12 LEU 9 1.013 -2.261 -1.547 60 HD13 LEU 9 HD13 LEU 9 1.467 -1.338 -3.000 61 HD21 LEU 9 HD21 LEU 9 -1.926 -2.654 -3.806 62 HD22 LEU 9 HD22 LEU 9 -0.229 -2.617 -4.343 63 HD23 LEU 9 HD23 LEU 9 -0.683 -3.540 -2.890 64 H MET 10 H MET 10 -3.521 -0.388 -4.135 65 HA MET 10 HA MET 10 -4.882 -3.027 -4.406 66 HB2 MET 10 HB2 MET 10 -6.378 -0.861 -4.172 67 HB3 MET 10 HB3 MET 10 -5.943 -0.635 -5.875 68 HG2 MET 10 HG3 MET 10 -8.014 -1.795 -5.844 69 HG3 MET 10 HG2 MET 10 -6.773 -2.980 -6.292 70 HE1 MET 10 HE1 MET 10 -9.908 -4.037 -3.583 71 HE2 MET 10 HE2 MET 10 -9.822 -2.400 -4.277 72 HE3 MET 10 HE3 MET 10 -9.682 -3.824 -5.336 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 11.998 3.139 6.971 2 H2 GLY 1 H2 GLY 1 10.998 3.287 5.668 3 H3 GLY 1 H3 GLY 1 10.620 2.237 6.883 4 HA2 GLY 1 HA3 GLY 1 12.551 2.001 4.760 5 HA3 GLY 1 HA2 GLY 1 12.903 1.239 6.324 6 H ASN 2 H ASN 2 10.581 0.273 7.213 7 HA ASN 2 HA ASN 2 9.971 -1.794 5.176 8 HB2 ASN 2 HB2 ASN 2 8.996 -1.814 8.029 9 HB3 ASN 2 HB3 ASN 2 9.301 -3.183 6.943 10 HD21 ASN 2 HD21 ASN 2 10.331 -2.087 9.717 11 HD22 ASN 2 HD22 ASN 2 12.058 -2.338 9.601 12 H HIS 3 H HIS 3 8.658 -0.351 3.884 13 HA HIS 3 HA HIS 3 5.891 -0.178 4.987 14 HB2 HIS 3 HB2 HIS 3 7.159 1.928 3.220 15 HB3 HIS 3 HB3 HIS 3 5.554 1.976 3.969 16 HD2 HIS 3 HD2 HIS 3 6.411 1.292 7.057 17 HE1 HIS 3 HE1 HIS 3 8.992 4.633 6.647 18 HE2 HIS 3 HE2 HIS 3 7.850 3.090 8.318 19 H TRP 4 H TRP 4 5.995 -2.313 3.776 20 HA TRP 4 HA TRP 4 6.068 -2.196 0.877 21 HB2 TRP 4 HB2 TRP 4 5.821 -4.221 2.955 22 HB3 TRP 4 HB3 TRP 4 4.699 -4.523 1.616 23 HD1 TRP 4 HD1 TRP 4 7.936 -5.639 2.587 24 HE1 TRP 4 HE1 TRP 4 9.465 -6.243 0.598 25 HE3 TRP 4 HE3 TRP 4 5.338 -3.268 -1.122 26 HZ2 TRP 4 HZ2 TRP 4 9.528 -5.758 -2.172 27 HZ3 TRP 4 HZ3 TRP 4 6.199 -3.384 -3.426 28 HH2 TRP 4 HH2 TRP 4 8.265 -4.616 -3.942 29 H ALA 5 H ALA 5 3.393 -3.204 3.042 30 HA ALA 5 HA ALA 5 1.545 -1.559 1.405 31 HB1 ALA 5 HB1 ALA 5 1.538 -4.536 1.652 32 HB2 ALA 5 HB2 ALA 5 -0.029 -3.694 1.663 33 HB3 ALA 5 HB3 ALA 5 1.076 -3.498 0.282 34 H VAL 6 H VAL 6 1.241 -0.155 3.102 35 HA VAL 6 HA VAL 6 0.818 -0.824 5.797 36 HB VAL 6 HB VAL 6 1.158 1.476 5.092 37 HG11 VAL 6 HG11 VAL 6 -0.059 1.365 2.954 38 HG12 VAL 6 HG12 VAL 6 -0.575 2.756 3.938 39 HG13 VAL 6 HG13 VAL 6 -1.601 1.304 3.841 40 HG21 VAL 6 HG21 VAL 6 -0.602 2.573 6.426 41 HG22 VAL 6 HG22 VAL 6 -1.563 1.076 6.376 42 HG23 VAL 6 HG23 VAL 6 0.007 1.099 7.215 43 H GLY 7 H GLY 7 -1.404 -0.930 3.060 44 HA2 GLY 7 HA2 GLY 7 -3.121 -2.824 3.829 45 HA3 GLY 7 HA3 GLY 7 -3.676 -1.493 4.863 46 H HIS 8 H HIS 8 -2.766 0.371 2.572 47 HA HIS 8 HA HIS 8 -5.050 -0.169 0.728 48 HB2 HIS 8 HB2 HIS 8 -5.764 1.501 2.369 49 HB3 HIS 8 HB3 HIS 8 -4.341 2.494 2.007 50 HD2 HIS 8 HD2 HIS 8 -4.821 4.395 0.147 51 HE1 HIS 8 HE1 HIS 8 -8.239 2.635 -1.644 52 HE2 HIS 8 HE2 HIS 8 -6.719 4.676 -1.645 53 H LEU 9 H LEU 9 -3.335 -1.014 -0.640 54 HA LEU 9 HA LEU 9 -1.682 1.151 -1.868 55 HB2 LEU 9 HB2 LEU 9 -0.183 -0.572 -2.632 56 HB3 LEU 9 HB3 LEU 9 -0.402 -0.706 -0.883 57 HG LEU 9 HG LEU 9 -2.065 -2.406 -2.711 58 HD11 LEU 9 HD11 LEU 9 0.245 -2.640 -3.537 59 HD12 LEU 9 HD12 LEU 9 -0.325 -4.125 -2.739 60 HD13 LEU 9 HD13 LEU 9 0.790 -3.028 -1.888 61 HD21 LEU 9 HD21 LEU 9 -2.747 -3.002 -0.650 62 HD22 LEU 9 HD22 LEU 9 -1.218 -3.909 -0.568 63 HD23 LEU 9 HD23 LEU 9 -1.322 -2.277 0.132 64 H MET 10 H MET 10 -4.132 -1.277 -2.397 65 HA MET 10 HA MET 10 -4.017 -0.819 -5.333 66 HB2 MET 10 HB2 MET 10 -4.134 -3.149 -4.431 67 HB3 MET 10 HB3 MET 10 -5.728 -2.769 -3.756 68 HG2 MET 10 HG2 MET 10 -6.723 -2.622 -5.861 69 HG3 MET 10 HG3 MET 10 -5.174 -2.372 -6.689 70 HE1 MET 10 HE1 MET 10 -3.861 -5.794 -7.461 71 HE2 MET 10 HE2 MET 10 -4.153 -4.147 -8.069 72 HE3 MET 10 HE3 MET 10 -3.233 -4.391 -6.565 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 8.656 -5.149 6.465 2 H2 GLY 1 H2 GLY 1 8.468 -3.788 7.378 3 H3 GLY 1 H3 GLY 1 7.634 -3.955 5.965 4 HA2 GLY 1 HA2 GLY 1 10.532 -3.743 6.231 5 HA3 GLY 1 HA3 GLY 1 9.641 -3.926 4.707 6 H ASN 2 H ASN 2 10.163 -2.025 3.741 7 HA ASN 2 HA ASN 2 9.676 0.484 5.256 8 HB2 ASN 2 HB2 ASN 2 11.125 -0.166 2.683 9 HB3 ASN 2 HB3 ASN 2 10.706 1.501 3.123 10 HD21 ASN 2 HD21 ASN 2 12.810 -1.208 3.684 11 HD22 ASN 2 HD22 ASN 2 13.852 -0.440 4.861 12 H HIS 3 H HIS 3 7.369 0.270 5.245 13 HA HIS 3 HA HIS 3 5.266 0.723 4.418 14 HB2 HIS 3 HB2 HIS 3 6.932 2.274 2.418 15 HB3 HIS 3 HB3 HIS 3 5.163 2.353 2.492 16 HD2 HIS 3 HD2 HIS 3 8.225 3.980 4.085 17 HE1 HIS 3 HE1 HIS 3 4.891 5.068 6.475 18 HE2 HIS 3 HE2 HIS 3 7.354 5.536 6.012 19 H TRP 4 H TRP 4 6.450 -1.739 3.645 20 HA TRP 4 HA TRP 4 6.200 -2.287 0.864 21 HB2 TRP 4 HB2 TRP 4 6.643 -3.755 3.305 22 HB3 TRP 4 HB3 TRP 4 5.455 -4.614 2.308 23 HD1 TRP 4 HD1 TRP 4 8.872 -5.005 2.894 24 HE1 TRP 4 HE1 TRP 4 10.255 -5.709 0.832 25 HE3 TRP 4 HE3 TRP 4 5.528 -3.705 -0.745 26 HZ2 TRP 4 HZ2 TRP 4 9.934 -5.699 -1.962 27 HZ3 TRP 4 HZ3 TRP 4 6.139 -4.084 -3.099 28 HH2 TRP 4 HH2 TRP 4 8.313 -5.070 -3.699 29 H ALA 5 H ALA 5 3.913 -3.163 3.491 30 HA ALA 5 HA ALA 5 1.659 -2.440 1.741 31 HB1 ALA 5 HB1 ALA 5 0.577 -4.643 1.971 32 HB2 ALA 5 HB2 ALA 5 2.110 -4.747 1.073 33 HB3 ALA 5 HB3 ALA 5 2.037 -5.270 2.772 34 H VAL 6 H VAL 6 0.705 -1.044 3.072 35 HA VAL 6 HA VAL 6 0.395 -1.793 5.931 36 HB VAL 6 HB VAL 6 1.328 0.459 5.346 37 HG11 VAL 6 HG11 VAL 6 0.030 2.136 4.323 38 HG12 VAL 6 HG12 VAL 6 -0.243 0.688 3.325 39 HG13 VAL 6 HG13 VAL 6 -1.475 1.203 4.501 40 HG21 VAL 6 HG21 VAL 6 0.227 0.018 7.504 41 HG22 VAL 6 HG22 VAL 6 -0.032 1.693 6.961 42 HG23 VAL 6 HG23 VAL 6 -1.337 0.493 6.798 43 H GLY 7 H GLY 7 -1.400 -1.245 2.968 44 HA2 GLY 7 HA3 GLY 7 -3.564 -2.670 3.169 45 HA3 GLY 7 HA2 GLY 7 -3.940 -1.548 4.490 46 H HIS 8 H HIS 8 -2.466 0.590 2.834 47 HA HIS 8 HA HIS 8 -4.879 1.357 1.290 48 HB2 HIS 8 HB2 HIS 8 -2.460 2.879 2.274 49 HB3 HIS 8 HB3 HIS 8 -3.626 3.579 1.139 50 HD2 HIS 8 HD2 HIS 8 -6.427 2.824 2.503 51 HE1 HIS 8 HE1 HIS 8 -4.798 4.465 6.061 52 HE2 HIS 8 HE2 HIS 8 -6.956 3.777 4.892 53 H LEU 9 H LEU 9 -3.586 -0.693 0.067 54 HA LEU 9 HA LEU 9 -2.272 0.683 -2.238 55 HB2 LEU 9 HB2 LEU 9 -1.512 -1.794 -0.745 56 HB3 LEU 9 HB3 LEU 9 -1.226 -1.748 -2.489 57 HG LEU 9 HG LEU 9 0.777 -1.139 -1.257 58 HD11 LEU 9 HD11 LEU 9 0.355 -0.081 -3.442 59 HD12 LEU 9 HD12 LEU 9 -0.461 1.273 -2.623 60 HD13 LEU 9 HD13 LEU 9 1.276 0.988 -2.356 61 HD21 LEU 9 HD21 LEU 9 0.900 0.420 0.409 62 HD22 LEU 9 HD22 LEU 9 -0.401 1.421 -0.279 63 HD23 LEU 9 HD23 LEU 9 -0.800 -0.063 0.619 64 H MET 10 H MET 10 -2.468 -0.490 -4.295 65 HA MET 10 HA MET 10 -5.132 -1.831 -4.446 66 HB2 MET 10 HB3 MET 10 -4.874 0.319 -5.677 67 HB3 MET 10 HB2 MET 10 -3.570 -0.415 -6.627 68 HG2 MET 10 HG3 MET 10 -4.998 -1.747 -7.837 69 HG3 MET 10 HG2 MET 10 -6.217 -1.798 -6.549 70 HE1 MET 10 HE1 MET 10 -8.821 0.413 -7.914 71 HE2 MET 10 HE2 MET 10 -8.341 -1.300 -7.864 72 HE3 MET 10 HE3 MET 10 -8.237 -0.304 -6.393 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 11.551 1.016 0.770 2 H2 GLY 1 H2 GLY 1 10.193 0.117 1.031 3 H3 GLY 1 H3 GLY 1 10.822 1.032 2.250 4 HA2 GLY 1 HA3 GLY 1 12.118 -1.261 0.991 5 HA3 GLY 1 HA2 GLY 1 12.787 -0.274 2.305 6 H ASN 2 H ASN 2 11.097 0.004 4.194 7 HA ASN 2 HA ASN 2 10.518 -2.749 5.061 8 HB2 ASN 2 HB3 ASN 2 10.177 -0.136 6.571 9 HB3 ASN 2 HB2 ASN 2 10.153 -1.775 7.251 10 HD21 ASN 2 HD21 ASN 2 11.873 0.254 8.183 11 HD22 ASN 2 HD22 ASN 2 13.520 -0.202 7.808 12 H HIS 3 H HIS 3 8.766 0.344 4.666 13 HA HIS 3 HA HIS 3 6.197 -0.859 5.288 14 HB2 HIS 3 HB2 HIS 3 7.039 1.797 4.118 15 HB3 HIS 3 HB3 HIS 3 5.338 1.347 4.322 16 HD2 HIS 3 HD2 HIS 3 6.559 -0.117 7.375 17 HE1 HIS 3 HE1 HIS 3 6.393 4.007 8.353 18 HE2 HIS 3 HE2 HIS 3 6.569 1.653 9.312 19 H TRP 4 H TRP 4 6.163 -2.660 3.847 20 HA TRP 4 HA TRP 4 6.271 -2.294 0.984 21 HB2 TRP 4 HB3 TRP 4 5.854 -4.485 2.881 22 HB3 TRP 4 HB2 TRP 4 4.819 -4.619 1.448 23 HD1 TRP 4 HD1 TRP 4 7.985 -5.886 2.522 24 HE1 TRP 4 HE1 TRP 4 9.601 -6.384 0.572 25 HE3 TRP 4 HE3 TRP 4 5.612 -3.221 -1.136 26 HZ2 TRP 4 HZ2 TRP 4 9.807 -5.718 -2.153 27 HZ3 TRP 4 HZ3 TRP 4 6.583 -3.198 -3.398 28 HH2 TRP 4 HH2 TRP 4 8.651 -4.432 -3.898 29 H ALA 5 H ALA 5 3.500 -3.405 2.970 30 HA ALA 5 HA ALA 5 1.755 -1.672 1.281 31 HB1 ALA 5 HB1 ALA 5 0.054 -3.458 1.285 32 HB2 ALA 5 HB2 ALA 5 1.558 -3.975 0.485 33 HB3 ALA 5 HB3 ALA 5 1.192 -4.530 2.136 34 H VAL 6 H VAL 6 1.568 -0.099 2.848 35 HA VAL 6 HA VAL 6 1.120 -0.486 5.591 36 HB VAL 6 HB VAL 6 1.597 1.714 4.674 37 HG11 VAL 6 HG11 VAL 6 0.280 2.872 3.172 38 HG12 VAL 6 HG12 VAL 6 0.036 1.197 2.620 39 HG13 VAL 6 HG13 VAL 6 -1.200 1.992 3.624 40 HG21 VAL 6 HG21 VAL 6 0.407 1.568 6.828 41 HG22 VAL 6 HG22 VAL 6 -1.149 1.648 5.967 42 HG23 VAL 6 HG23 VAL 6 -0.037 3.037 5.926 43 H GLY 7 H GLY 7 -1.159 -0.609 2.886 44 HA2 GLY 7 HA2 GLY 7 -2.982 -2.293 4.165 45 HA3 GLY 7 HA3 GLY 7 -3.522 -0.642 4.531 46 H HIS 8 H HIS 8 -4.713 0.428 3.070 47 HA HIS 8 HA HIS 8 -5.092 -0.912 0.430 48 HB2 HIS 8 HB2 HIS 8 -7.268 0.191 0.354 49 HB3 HIS 8 HB3 HIS 8 -7.108 -0.794 1.819 50 HD2 HIS 8 HD2 HIS 8 -7.458 2.951 0.758 51 HE1 HIS 8 HE1 HIS 8 -7.643 2.734 4.991 52 HE2 HIS 8 HE2 HIS 8 -7.924 4.272 2.978 53 H LEU 9 H LEU 9 -2.927 0.978 1.154 54 HA LEU 9 HA LEU 9 -3.629 3.459 -0.254 55 HB2 LEU 9 HB2 LEU 9 -2.054 3.218 1.754 56 HB3 LEU 9 HB3 LEU 9 -0.871 2.577 0.608 57 HG LEU 9 HG LEU 9 -1.129 4.741 -0.686 58 HD11 LEU 9 HD11 LEU 9 -3.290 5.423 0.285 59 HD12 LEU 9 HD12 LEU 9 -2.041 6.670 0.512 60 HD13 LEU 9 HD13 LEU 9 -2.509 5.622 1.872 61 HD21 LEU 9 HD21 LEU 9 0.787 4.256 0.788 62 HD22 LEU 9 HD22 LEU 9 -0.110 4.935 2.168 63 HD23 LEU 9 HD23 LEU 9 0.358 5.984 0.808 64 H MET 10 H MET 10 -3.630 3.622 -2.378 65 HA MET 10 HA MET 10 -2.569 1.605 -4.111 66 HB2 MET 10 HB2 MET 10 -4.434 3.340 -4.534 67 HB3 MET 10 HB3 MET 10 -3.119 4.456 -4.945 68 HG2 MET 10 HG3 MET 10 -3.205 1.759 -6.256 69 HG3 MET 10 HG2 MET 10 -4.338 3.015 -6.791 70 HE1 MET 10 HE1 MET 10 -1.931 3.491 -9.712 71 HE2 MET 10 HE2 MET 10 -3.621 3.520 -9.155 72 HE3 MET 10 HE3 MET 10 -2.672 2.018 -9.042 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 9.823 4.649 1.172 2 H2 GLY 1 H2 GLY 1 10.752 3.347 0.769 3 H3 GLY 1 H3 GLY 1 9.107 3.220 0.767 4 HA2 GLY 1 HA3 GLY 1 10.784 3.704 3.107 5 HA3 GLY 1 HA2 GLY 1 9.015 3.571 3.102 6 H ASN 2 H ASN 2 9.999 1.921 4.792 7 HA ASN 2 HA ASN 2 10.797 -0.619 3.552 8 HB2 ASN 2 HB3 ASN 2 10.896 -1.451 5.857 9 HB3 ASN 2 HB2 ASN 2 11.785 0.075 5.687 10 HD21 ASN 2 HD21 ASN 2 10.956 1.994 6.611 11 HD22 ASN 2 HD22 ASN 2 9.725 1.948 7.853 12 H HIS 3 H HIS 3 7.935 0.852 5.006 13 HA HIS 3 HA HIS 3 6.400 -1.578 5.172 14 HB2 HIS 3 HB3 HIS 3 5.625 1.349 5.094 15 HB3 HIS 3 HB2 HIS 3 4.445 0.037 5.259 16 HD2 HIS 3 HD2 HIS 3 6.329 -1.719 7.447 17 HE1 HIS 3 HE1 HIS 3 5.728 1.736 9.836 18 HE2 HIS 3 HE2 HIS 3 6.406 -0.721 9.873 19 H TRP 4 H TRP 4 6.128 -2.785 3.401 20 HA TRP 4 HA TRP 4 5.972 -1.786 0.739 21 HB2 TRP 4 HB3 TRP 4 5.606 -4.359 2.115 22 HB3 TRP 4 HB2 TRP 4 4.585 -4.172 0.677 23 HD1 TRP 4 HD1 TRP 4 7.854 -5.479 1.544 24 HE1 TRP 4 HE1 TRP 4 9.454 -5.559 -0.477 25 HE3 TRP 4 HE3 TRP 4 5.256 -2.408 -1.609 26 HZ2 TRP 4 HZ2 TRP 4 9.569 -4.446 -3.058 27 HZ3 TRP 4 HZ3 TRP 4 6.181 -1.959 -3.846 28 HH2 TRP 4 HH2 TRP 4 8.306 -2.969 -4.562 29 H ALA 5 H ALA 5 3.299 -3.378 2.517 30 HA ALA 5 HA ALA 5 1.458 -1.397 1.249 31 HB1 ALA 5 HB1 ALA 5 -0.236 -3.185 1.134 32 HB2 ALA 5 HB2 ALA 5 0.955 -4.345 1.770 33 HB3 ALA 5 HB3 ALA 5 1.215 -3.582 0.182 34 H VAL 6 H VAL 6 1.402 -0.039 3.024 35 HA VAL 6 HA VAL 6 1.124 -0.762 5.714 36 HB VAL 6 HB VAL 6 1.518 1.540 5.044 37 HG11 VAL 6 HG11 VAL 6 0.092 2.848 3.785 38 HG12 VAL 6 HG12 VAL 6 -0.175 1.249 3.051 39 HG13 VAL 6 HG13 VAL 6 -1.346 1.896 4.224 40 HG21 VAL 6 HG21 VAL 6 -0.084 2.676 6.534 41 HG22 VAL 6 HG22 VAL 6 -1.116 1.226 6.520 42 HG23 VAL 6 HG23 VAL 6 0.512 1.154 7.238 43 H GLY 7 H GLY 7 -1.333 -0.589 3.172 44 HA2 GLY 7 HA3 GLY 7 -3.058 -2.455 4.309 45 HA3 GLY 7 HA2 GLY 7 -3.561 -0.894 4.985 46 H HIS 8 H HIS 8 -2.838 0.641 2.617 47 HA HIS 8 HA HIS 8 -5.269 0.037 1.056 48 HB2 HIS 8 HB3 HIS 8 -4.584 2.359 1.915 49 HB3 HIS 8 HB2 HIS 8 -3.361 2.340 0.633 50 HD2 HIS 8 HD2 HIS 8 -7.112 1.172 0.172 51 HE1 HIS 8 HE1 HIS 8 -6.327 4.464 -2.388 52 HE2 HIS 8 HE2 HIS 8 -8.061 2.716 -1.727 53 H LEU 9 H LEU 9 -3.616 -1.983 0.588 54 HA LEU 9 HA LEU 9 -1.641 -1.706 -1.400 55 HB2 LEU 9 HB3 LEU 9 -2.159 -4.072 -1.964 56 HB3 LEU 9 HB2 LEU 9 -1.905 -3.770 -0.241 57 HG LEU 9 HG LEU 9 -4.562 -3.571 -0.265 58 HD11 LEU 9 HD11 LEU 9 -4.740 -3.926 -2.696 59 HD12 LEU 9 HD12 LEU 9 -5.549 -5.218 -1.778 60 HD13 LEU 9 HD13 LEU 9 -3.957 -5.515 -2.516 61 HD21 LEU 9 HD21 LEU 9 -3.194 -5.094 1.108 62 HD22 LEU 9 HD22 LEU 9 -4.639 -5.906 0.461 63 HD23 LEU 9 HD23 LEU 9 -3.047 -6.203 -0.277 64 H MET 10 H MET 10 -1.644 -1.991 -3.651 65 HA MET 10 HA MET 10 -3.695 -0.589 -5.034 66 HB2 MET 10 HB3 MET 10 -1.688 -2.548 -6.196 67 HB3 MET 10 HB2 MET 10 -2.562 -1.276 -7.068 68 HG2 MET 10 HG2 MET 10 -1.342 0.443 -6.038 69 HG3 MET 10 HG3 MET 10 -0.741 -0.625 -4.755 70 HE1 MET 10 HE1 MET 10 2.487 0.427 -6.805 71 HE2 MET 10 HE2 MET 10 1.695 0.445 -5.211 72 HE3 MET 10 HE3 MET 10 1.036 1.424 -6.544 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 9.324 5.752 8.738 2 H2 GLY 1 H2 GLY 1 10.018 5.946 7.254 3 H3 GLY 1 H3 GLY 1 8.376 5.930 7.400 4 HA2 GLY 1 HA3 GLY 1 10.163 3.691 7.961 5 HA3 GLY 1 HA2 GLY 1 8.395 3.679 8.112 6 H ASN 2 H ASN 2 9.916 1.898 6.500 7 HA ASN 2 HA ASN 2 8.937 2.734 3.802 8 HB2 ASN 2 HB2 ASN 2 10.814 1.275 2.904 9 HB3 ASN 2 HB3 ASN 2 11.301 2.817 3.635 10 HD21 ASN 2 HD21 ASN 2 11.775 -0.548 3.582 11 HD22 ASN 2 HD22 ASN 2 12.744 -0.694 5.031 12 H HIS 3 H HIS 3 7.009 1.603 4.902 13 HA HIS 3 HA HIS 3 7.178 -1.313 5.013 14 HB2 HIS 3 HB3 HIS 3 4.975 0.716 5.356 15 HB3 HIS 3 HB2 HIS 3 4.606 -1.009 5.200 16 HD2 HIS 3 HD2 HIS 3 7.455 -1.684 7.114 17 HE1 HIS 3 HE1 HIS 3 4.903 -0.053 10.086 18 HE2 HIS 3 HE2 HIS 3 7.012 -1.428 9.690 19 H TRP 4 H TRP 4 6.189 -2.786 3.637 20 HA TRP 4 HA TRP 4 6.234 -2.051 0.848 21 HB2 TRP 4 HB2 TRP 4 5.965 -4.479 2.451 22 HB3 TRP 4 HB3 TRP 4 4.911 -4.500 1.026 23 HD1 TRP 4 HD1 TRP 4 8.162 -5.699 1.914 24 HE1 TRP 4 HE1 TRP 4 9.777 -5.862 -0.092 25 HE3 TRP 4 HE3 TRP 4 5.593 -2.754 -1.380 26 HZ2 TRP 4 HZ2 TRP 4 9.910 -4.859 -2.715 27 HZ3 TRP 4 HZ3 TRP 4 6.531 -2.400 -3.626 28 HH2 TRP 4 HH2 TRP 4 8.661 -3.440 -4.286 29 H ALA 5 H ALA 5 3.549 -3.544 2.697 30 HA ALA 5 HA ALA 5 1.694 -1.717 1.239 31 HB1 ALA 5 HB1 ALA 5 0.088 -3.578 1.044 32 HB2 ALA 5 HB2 ALA 5 1.290 -4.681 1.755 33 HB3 ALA 5 HB3 ALA 5 1.606 -3.918 0.178 34 H VAL 6 H VAL 6 1.423 -0.349 2.971 35 HA VAL 6 HA VAL 6 1.031 -1.088 5.657 36 HB VAL 6 HB VAL 6 -0.208 1.255 4.173 37 HG11 VAL 6 HG11 VAL 6 -1.294 0.798 6.337 38 HG12 VAL 6 HG12 VAL 6 0.294 0.856 7.140 39 HG13 VAL 6 HG13 VAL 6 -0.368 2.318 6.371 40 HG21 VAL 6 HG21 VAL 6 2.245 1.156 3.973 41 HG22 VAL 6 HG22 VAL 6 2.381 1.067 5.745 42 HG23 VAL 6 HG23 VAL 6 1.719 2.529 4.976 43 H GLY 7 H GLY 7 -1.606 -0.011 3.469 44 HA2 GLY 7 HA2 GLY 7 -3.278 -2.240 3.849 45 HA3 GLY 7 HA3 GLY 7 -3.644 -1.101 5.159 46 H HIS 8 H HIS 8 -2.629 -0.236 1.876 47 HA HIS 8 HA HIS 8 -5.403 0.727 1.342 48 HB2 HIS 8 HB3 HIS 8 -3.629 2.507 2.100 49 HB3 HIS 8 HB2 HIS 8 -3.011 2.315 0.451 50 HD2 HIS 8 HD2 HIS 8 -4.625 3.352 -1.581 51 HE1 HIS 8 HE1 HIS 8 -7.460 5.145 1.014 52 HE2 HIS 8 HE2 HIS 8 -6.672 4.983 -1.401 53 H LEU 9 H LEU 9 -3.939 -1.671 0.481 54 HA LEU 9 HA LEU 9 -3.150 -1.215 -2.287 55 HB2 LEU 9 HB2 LEU 9 -2.108 -2.984 -1.023 56 HB3 LEU 9 HB3 LEU 9 -3.672 -3.734 -0.686 57 HG LEU 9 HG LEU 9 -3.841 -3.976 -3.271 58 HD11 LEU 9 HD11 LEU 9 -1.903 -2.541 -3.781 59 HD12 LEU 9 HD12 LEU 9 -0.839 -3.683 -2.926 60 HD13 LEU 9 HD13 LEU 9 -1.685 -4.193 -4.407 61 HD21 LEU 9 HD21 LEU 9 -3.612 -5.836 -1.670 62 HD22 LEU 9 HD22 LEU 9 -2.691 -6.132 -3.165 63 HD23 LEU 9 HD23 LEU 9 -1.845 -5.623 -1.684 64 H MET 10 H MET 10 -4.274 -1.564 -4.131 65 HA MET 10 HA MET 10 -7.088 -1.287 -4.109 66 HB2 MET 10 HB3 MET 10 -7.008 -1.636 -6.467 67 HB3 MET 10 HB2 MET 10 -5.530 -0.771 -6.012 68 HG2 MET 10 HG2 MET 10 -4.376 -3.035 -5.959 69 HG3 MET 10 HG3 MET 10 -5.827 -3.689 -6.743 70 HE1 MET 10 HE1 MET 10 -2.348 -2.570 -9.011 71 HE2 MET 10 HE2 MET 10 -2.852 -3.901 -7.942 72 HE3 MET 10 HE3 MET 10 -2.395 -2.327 -7.249 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 11.510 2.653 -1.565 2 H2 GLY 1 H2 GLY 1 12.262 3.089 -0.163 3 H3 GLY 1 H3 GLY 1 12.014 1.495 -0.505 4 HA2 GLY 1 HA2 GLY 1 9.899 3.459 -0.095 5 HA3 GLY 1 HA3 GLY 1 9.694 1.712 -0.332 6 H ASN 2 H ASN 2 8.547 2.860 1.837 7 HA ASN 2 HA ASN 2 10.400 2.275 4.098 8 HB2 ASN 2 HB2 ASN 2 7.759 3.770 3.992 9 HB3 ASN 2 HB3 ASN 2 8.647 3.414 5.487 10 HD21 ASN 2 HD21 ASN 2 9.214 5.448 6.124 11 HD22 ASN 2 HD22 ASN 2 10.222 6.523 5.182 12 H HIS 3 H HIS 3 6.857 2.011 3.641 13 HA HIS 3 HA HIS 3 6.944 -0.570 5.094 14 HB2 HIS 3 HB3 HIS 3 4.528 1.007 4.158 15 HB3 HIS 3 HB2 HIS 3 4.555 -0.340 5.310 16 HD2 HIS 3 HD2 HIS 3 5.117 0.325 7.919 17 HE1 HIS 3 HE1 HIS 3 5.792 4.458 7.242 18 HE2 HIS 3 HE2 HIS 3 5.519 2.667 9.033 19 H TRP 4 H TRP 4 6.422 -2.503 4.234 20 HA TRP 4 HA TRP 4 6.653 -2.848 1.405 21 HB2 TRP 4 HB2 TRP 4 6.356 -4.517 3.770 22 HB3 TRP 4 HB3 TRP 4 5.409 -5.148 2.411 23 HD1 TRP 4 HD1 TRP 4 8.551 -5.870 3.833 24 HE1 TRP 4 HE1 TRP 4 10.345 -6.597 2.125 25 HE3 TRP 4 HE3 TRP 4 6.301 -4.150 -0.421 26 HZ2 TRP 4 HZ2 TRP 4 10.723 -6.444 -0.656 27 HZ3 TRP 4 HZ3 TRP 4 7.444 -4.478 -2.577 28 HH2 TRP 4 HH2 TRP 4 9.625 -5.611 -2.692 29 H ALA 5 H ALA 5 3.834 -3.400 3.561 30 HA ALA 5 HA ALA 5 2.081 -2.496 1.348 31 HB1 ALA 5 HB1 ALA 5 0.570 -4.415 1.679 32 HB2 ALA 5 HB2 ALA 5 2.179 -4.927 1.116 33 HB3 ALA 5 HB3 ALA 5 1.732 -5.123 2.828 34 H VAL 6 H VAL 6 1.589 -0.639 2.467 35 HA VAL 6 HA VAL 6 0.966 -0.415 5.192 36 HB VAL 6 HB VAL 6 -0.273 1.137 2.894 37 HG11 VAL 6 HG11 VAL 6 -1.492 1.392 5.021 38 HG12 VAL 6 HG12 VAL 6 0.024 1.862 5.827 39 HG13 VAL 6 HG13 VAL 6 -0.662 2.895 4.550 40 HG21 VAL 6 HG21 VAL 6 2.190 1.173 2.867 41 HG22 VAL 6 HG22 VAL 6 2.195 1.732 4.557 42 HG23 VAL 6 HG23 VAL 6 1.509 2.765 3.280 43 H GLY 7 H GLY 7 -1.419 -0.639 2.510 44 HA2 GLY 7 HA2 GLY 7 -3.026 -2.646 3.362 45 HA3 GLY 7 HA3 GLY 7 -3.505 -1.334 4.456 46 H HIS 8 H HIS 8 -4.071 0.775 3.349 47 HA HIS 8 HA HIS 8 -5.698 0.125 0.931 48 HB2 HIS 8 HB2 HIS 8 -6.747 0.950 3.164 49 HB3 HIS 8 HB3 HIS 8 -6.115 2.538 2.694 50 HD2 HIS 8 HD2 HIS 8 -7.937 3.951 1.303 51 HE1 HIS 8 HE1 HIS 8 -10.100 0.701 -0.359 52 HE2 HIS 8 HE2 HIS 8 -9.970 3.242 -0.200 53 H LEU 9 H LEU 9 -3.425 0.431 -0.069 54 HA LEU 9 HA LEU 9 -2.225 2.977 -0.281 55 HB2 LEU 9 HB3 LEU 9 -2.367 0.632 -2.183 56 HB3 LEU 9 HB2 LEU 9 -1.458 2.100 -2.558 57 HG LEU 9 HG LEU 9 -0.936 0.532 -0.039 58 HD11 LEU 9 HD11 LEU 9 -0.724 -1.009 -1.951 59 HD12 LEU 9 HD12 LEU 9 0.380 0.138 -2.746 60 HD13 LEU 9 HD13 LEU 9 0.857 -0.643 -1.219 61 HD21 LEU 9 HD21 LEU 9 -0.048 2.827 -0.200 62 HD22 LEU 9 HD22 LEU 9 1.254 1.615 -0.189 63 HD23 LEU 9 HD23 LEU 9 0.779 2.395 -1.716 64 H MET 10 H MET 10 -2.843 4.829 -1.138 65 HA MET 10 HA MET 10 -5.374 5.078 -2.497 66 HB2 MET 10 HB2 MET 10 -4.090 6.797 -1.040 67 HB3 MET 10 HB3 MET 10 -3.203 7.176 -2.527 68 HG2 MET 10 HG2 MET 10 -4.985 8.743 -2.337 69 HG3 MET 10 HG3 MET 10 -5.418 7.615 -3.636 70 HE1 MET 10 HE1 MET 10 -8.443 8.951 -0.990 71 HE2 MET 10 HE2 MET 10 -7.610 9.481 -2.470 72 HE3 MET 10 HE3 MET 10 -6.787 9.595 -0.896 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 12.636 -0.171 0.632 2 H2 GLY 1 H2 GLY 1 12.494 -1.383 1.741 3 H3 GLY 1 H3 GLY 1 13.089 0.086 2.196 4 HA2 GLY 1 HA2 GLY 1 11.023 1.136 1.746 5 HA3 GLY 1 HA3 GLY 1 10.378 -0.441 1.251 6 H ASN 2 H ASN 2 10.639 1.753 3.755 7 HA ASN 2 HA ASN 2 10.927 0.102 6.045 8 HB2 ASN 2 HB3 ASN 2 9.837 1.916 7.271 9 HB3 ASN 2 HB2 ASN 2 11.012 2.561 6.108 10 HD21 ASN 2 HD21 ASN 2 7.998 3.023 7.373 11 HD22 ASN 2 HD22 ASN 2 7.247 3.887 6.050 12 H HIS 3 H HIS 3 8.222 0.652 3.887 13 HA HIS 3 HA HIS 3 6.752 -1.511 5.248 14 HB2 HIS 3 HB2 HIS 3 5.801 1.338 5.064 15 HB3 HIS 3 HB3 HIS 3 4.634 0.006 5.032 16 HD2 HIS 3 HD2 HIS 3 5.327 -1.847 7.408 17 HE1 HIS 3 HE1 HIS 3 6.000 1.612 9.771 18 HE2 HIS 3 HE2 HIS 3 5.572 -0.901 9.845 19 H TRP 4 H TRP 4 6.160 -2.882 3.730 20 HA TRP 4 HA TRP 4 6.233 -2.201 0.933 21 HB2 TRP 4 HB2 TRP 4 5.780 -4.580 2.584 22 HB3 TRP 4 HB3 TRP 4 4.780 -4.558 1.120 23 HD1 TRP 4 HD1 TRP 4 7.935 -5.913 2.161 24 HE1 TRP 4 HE1 TRP 4 9.602 -6.224 0.213 25 HE3 TRP 4 HE3 TRP 4 5.628 -2.942 -1.298 26 HZ2 TRP 4 HZ2 TRP 4 9.868 -5.310 -2.433 27 HZ3 TRP 4 HZ3 TRP 4 6.652 -2.706 -3.525 28 HH2 TRP 4 HH2 TRP 4 8.745 -3.876 -4.084 29 H ALA 5 H ALA 5 3.460 -3.512 2.789 30 HA ALA 5 HA ALA 5 1.716 -1.649 1.237 31 HB1 ALA 5 HB1 ALA 5 -0.015 -3.406 1.235 32 HB2 ALA 5 HB2 ALA 5 1.122 -4.517 2.035 33 HB3 ALA 5 HB3 ALA 5 1.462 -3.928 0.390 34 H VAL 6 H VAL 6 1.606 -0.113 2.854 35 HA VAL 6 HA VAL 6 1.206 -0.560 5.592 36 HB VAL 6 HB VAL 6 0.074 1.697 3.905 37 HG11 VAL 6 HG11 VAL 6 -0.991 1.519 6.121 38 HG12 VAL 6 HG12 VAL 6 0.021 2.977 5.988 39 HG13 VAL 6 HG13 VAL 6 0.614 1.561 6.890 40 HG21 VAL 6 HG21 VAL 6 2.512 1.431 3.679 41 HG22 VAL 6 HG22 VAL 6 2.086 2.925 4.548 42 HG23 VAL 6 HG23 VAL 6 2.679 1.509 5.449 43 H GLY 7 H GLY 7 -1.172 -0.455 2.953 44 HA2 GLY 7 HA2 GLY 7 -2.995 -2.147 4.324 45 HA3 GLY 7 HA3 GLY 7 -3.504 -0.466 4.569 46 H HIS 8 H HIS 8 -4.644 0.539 3.019 47 HA HIS 8 HA HIS 8 -5.099 -1.007 0.509 48 HB2 HIS 8 HB3 HIS 8 -6.795 1.255 1.596 49 HB3 HIS 8 HB2 HIS 8 -7.214 0.074 0.343 50 HD2 HIS 8 HD2 HIS 8 -7.977 0.629 3.933 51 HE1 HIS 8 HE1 HIS 8 -8.131 -3.581 3.443 52 HE2 HIS 8 HE2 HIS 8 -8.730 -1.652 4.991 53 H LEU 9 H LEU 9 -3.106 -0.201 -0.409 54 HA LEU 9 HA LEU 9 -2.500 2.538 -0.763 55 HB2 LEU 9 HB2 LEU 9 -0.916 1.861 -2.315 56 HB3 LEU 9 HB3 LEU 9 -1.074 0.459 -1.251 57 HG LEU 9 HG LEU 9 -2.415 0.742 -3.955 58 HD11 LEU 9 HD11 LEU 9 0.039 0.652 -4.148 59 HD12 LEU 9 HD12 LEU 9 -0.728 -0.830 -4.767 60 HD13 LEU 9 HD13 LEU 9 0.057 -0.835 -3.170 61 HD21 LEU 9 HD21 LEU 9 -2.486 -1.851 -3.565 62 HD22 LEU 9 HD22 LEU 9 -2.331 -1.401 -1.850 63 HD23 LEU 9 HD23 LEU 9 -3.707 -0.801 -2.806 64 H MET 10 H MET 10 -2.503 3.729 -2.853 65 HA MET 10 HA MET 10 -5.239 3.813 -3.873 66 HB2 MET 10 HB2 MET 10 -3.807 5.833 -3.384 67 HB3 MET 10 HB3 MET 10 -2.832 5.409 -4.802 68 HG2 MET 10 HG2 MET 10 -4.498 5.974 -6.289 69 HG3 MET 10 HG3 MET 10 -5.799 5.677 -5.120 70 HE1 MET 10 HE1 MET 10 -4.703 9.651 -6.453 71 HE2 MET 10 HE2 MET 10 -3.735 8.241 -6.947 72 HE3 MET 10 HE3 MET 10 -5.504 8.222 -7.150 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 12.611 5.641 6.333 2 H2 GLY 1 H2 GLY 1 12.309 5.918 4.735 3 H3 GLY 1 H3 GLY 1 13.078 4.536 5.202 4 HA2 GLY 1 HA2 GLY 1 11.164 3.783 6.360 5 HA3 GLY 1 HA3 GLY 1 10.332 5.270 5.865 6 H ASN 2 H ASN 2 10.845 2.047 5.158 7 HA ASN 2 HA ASN 2 9.882 2.469 2.359 8 HB2 ASN 2 HB2 ASN 2 12.300 1.564 2.710 9 HB3 ASN 2 HB3 ASN 2 11.495 0.054 3.179 10 HD21 ASN 2 HD21 ASN 2 13.066 1.365 0.705 11 HD22 ASN 2 HD22 ASN 2 12.193 0.694 -0.654 12 H HIS 3 H HIS 3 7.740 2.369 3.288 13 HA HIS 3 HA HIS 3 6.780 0.122 4.754 14 HB2 HIS 3 HB2 HIS 3 5.312 2.001 2.878 15 HB3 HIS 3 HB3 HIS 3 4.535 0.880 4.009 16 HD2 HIS 3 HD2 HIS 3 6.381 4.315 3.999 17 HE1 HIS 3 HE1 HIS 3 5.009 3.558 7.940 18 HE2 HIS 3 HE2 HIS 3 6.061 5.300 6.411 19 H TRP 4 H TRP 4 5.893 -1.799 4.180 20 HA TRP 4 HA TRP 4 6.433 -2.676 1.406 21 HB2 TRP 4 HB2 TRP 4 6.636 -3.884 3.947 22 HB3 TRP 4 HB3 TRP 4 5.305 -4.717 3.123 23 HD1 TRP 4 HD1 TRP 4 8.812 -5.211 3.616 24 HE1 TRP 4 HE1 TRP 4 9.945 -6.511 1.694 25 HE3 TRP 4 HE3 TRP 4 5.166 -4.673 0.077 26 HZ2 TRP 4 HZ2 TRP 4 9.340 -7.196 -0.964 27 HZ3 TRP 4 HZ3 TRP 4 5.516 -5.682 -2.143 28 HH2 TRP 4 HH2 TRP 4 7.575 -6.929 -2.654 29 H ALA 5 H ALA 5 3.781 -3.248 3.757 30 HA ALA 5 HA ALA 5 1.806 -2.483 1.723 31 HB1 ALA 5 HB1 ALA 5 0.597 -4.628 1.837 32 HB2 ALA 5 HB2 ALA 5 2.224 -4.818 1.141 33 HB3 ALA 5 HB3 ALA 5 1.913 -5.309 2.824 34 H VAL 6 H VAL 6 0.725 -1.038 2.890 35 HA VAL 6 HA VAL 6 0.120 -1.629 5.726 36 HB VAL 6 HB VAL 6 0.970 0.601 5.242 37 HG11 VAL 6 HG11 VAL 6 0.438 1.698 3.376 38 HG12 VAL 6 HG12 VAL 6 -0.678 0.382 2.937 39 HG13 VAL 6 HG13 VAL 6 -1.267 1.772 3.880 40 HG21 VAL 6 HG21 VAL 6 -0.677 0.332 7.053 41 HG22 VAL 6 HG22 VAL 6 -0.792 1.935 6.289 42 HG23 VAL 6 HG23 VAL 6 -1.991 0.677 5.903 43 H GLY 7 H GLY 7 -1.406 -1.467 2.584 44 HA2 GLY 7 HA2 GLY 7 -3.464 -2.786 2.342 45 HA3 GLY 7 HA3 GLY 7 -3.983 -2.174 3.925 46 H HIS 8 H HIS 8 -2.814 0.536 3.055 47 HA HIS 8 HA HIS 8 -5.321 1.455 1.795 48 HB2 HIS 8 HB2 HIS 8 -3.994 2.520 3.813 49 HB3 HIS 8 HB3 HIS 8 -3.047 3.281 2.522 50 HD2 HIS 8 HD2 HIS 8 -4.040 5.749 2.097 51 HE1 HIS 8 HE1 HIS 8 -8.149 4.874 2.675 52 HE2 HIS 8 HE2 HIS 8 -6.482 6.709 2.095 53 H LEU 9 H LEU 9 -4.257 0.022 -0.089 54 HA LEU 9 HA LEU 9 -2.841 1.970 -1.865 55 HB2 LEU 9 HB2 LEU 9 -1.571 -0.112 -1.119 56 HB3 LEU 9 HB3 LEU 9 -2.712 -1.044 -2.097 57 HG LEU 9 HG LEU 9 -1.957 0.535 -4.028 58 HD11 LEU 9 HD11 LEU 9 -0.701 2.096 -2.593 59 HD12 LEU 9 HD12 LEU 9 0.343 1.341 -3.821 60 HD13 LEU 9 HD13 LEU 9 0.403 0.778 -2.133 61 HD21 LEU 9 HD21 LEU 9 -1.519 -1.888 -3.894 62 HD22 LEU 9 HD22 LEU 9 -0.138 -1.004 -4.586 63 HD23 LEU 9 HD23 LEU 9 -0.078 -1.568 -2.899 64 H MET 10 H MET 10 -3.870 2.571 -3.640 65 HA MET 10 HA MET 10 -6.025 0.791 -4.688 66 HB2 MET 10 HB3 MET 10 -6.919 2.741 -3.342 67 HB3 MET 10 HB2 MET 10 -6.206 3.812 -4.561 68 HG2 MET 10 HG2 MET 10 -7.660 3.071 -6.246 69 HG3 MET 10 HG3 MET 10 -8.133 1.625 -5.333 70 HE1 MET 10 HE1 MET 10 -11.540 3.477 -5.379 71 HE2 MET 10 HE2 MET 10 -10.358 3.284 -6.695 72 HE3 MET 10 HE3 MET 10 -10.691 1.927 -5.593 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 13.413 0.340 9.727 2 H2 GLY 1 H2 GLY 1 13.471 0.690 8.117 3 H3 GLY 1 H3 GLY 1 12.606 1.653 9.139 4 HA2 GLY 1 HA3 GLY 1 12.031 -1.143 8.527 5 HA3 GLY 1 HA2 GLY 1 11.102 -0.102 9.623 6 H ASN 2 H ASN 2 11.433 -1.237 6.458 7 HA ASN 2 HA ASN 2 9.762 0.997 5.393 8 HB2 ASN 2 HB2 ASN 2 11.468 -1.073 3.972 9 HB3 ASN 2 HB3 ASN 2 10.405 0.084 3.147 10 HD21 ASN 2 HD21 ASN 2 12.913 0.220 2.347 11 HD22 ASN 2 HD22 ASN 2 13.762 1.581 3.044 12 H HIS 3 H HIS 3 7.690 0.654 5.014 13 HA HIS 3 HA HIS 3 6.720 -2.166 5.046 14 HB2 HIS 3 HB2 HIS 3 5.377 0.476 5.656 15 HB3 HIS 3 HB3 HIS 3 4.463 -1.025 5.425 16 HD2 HIS 3 HD2 HIS 3 4.129 -2.442 7.703 17 HE1 HIS 3 HE1 HIS 3 7.263 -0.686 9.962 18 HE2 HIS 3 HE2 HIS 3 5.325 -2.339 10.040 19 H TRP 4 H TRP 4 6.033 -3.072 3.241 20 HA TRP 4 HA TRP 4 6.057 -1.675 0.741 21 HB2 TRP 4 HB2 TRP 4 5.523 -4.392 1.709 22 HB3 TRP 4 HB3 TRP 4 4.524 -3.946 0.314 23 HD1 TRP 4 HD1 TRP 4 7.650 -5.614 0.946 24 HE1 TRP 4 HE1 TRP 4 9.298 -5.460 -1.036 25 HE3 TRP 4 HE3 TRP 4 5.400 -1.812 -1.626 26 HZ2 TRP 4 HZ2 TRP 4 9.572 -3.917 -3.370 27 HZ3 TRP 4 HZ3 TRP 4 6.421 -1.048 -3.733 28 HH2 TRP 4 HH2 TRP 4 8.476 -2.091 -4.594 29 H ALA 5 H ALA 5 3.263 -3.288 2.313 30 HA ALA 5 HA ALA 5 1.564 -1.085 1.224 31 HB1 ALA 5 HB1 ALA 5 0.861 -4.023 1.522 32 HB2 ALA 5 HB2 ALA 5 -0.251 -2.739 0.989 33 HB3 ALA 5 HB3 ALA 5 1.166 -3.159 -0.004 34 H VAL 6 H VAL 6 1.624 0.128 3.108 35 HA VAL 6 HA VAL 6 1.287 -0.782 5.731 36 HB VAL 6 HB VAL 6 0.201 1.787 4.525 37 HG11 VAL 6 HG11 VAL 6 -0.787 1.255 6.719 38 HG12 VAL 6 HG12 VAL 6 0.846 1.092 7.409 39 HG13 VAL 6 HG13 VAL 6 0.289 2.671 6.804 40 HG21 VAL 6 HG21 VAL 6 2.613 1.468 4.144 41 HG22 VAL 6 HG22 VAL 6 2.293 2.796 5.285 42 HG23 VAL 6 HG23 VAL 6 2.851 1.218 5.890 43 H GLY 7 H GLY 7 -1.223 0.057 3.330 44 HA2 GLY 7 HA3 GLY 7 -3.108 -1.609 4.898 45 HA3 GLY 7 HA2 GLY 7 -3.556 0.077 4.576 46 H HIS 8 H HIS 8 -4.317 0.675 2.599 47 HA HIS 8 HA HIS 8 -4.838 -1.582 0.725 48 HB2 HIS 8 HB2 HIS 8 -6.135 1.158 0.783 49 HB3 HIS 8 HB3 HIS 8 -6.665 -0.263 -0.135 50 HD2 HIS 8 HD2 HIS 8 -7.747 1.504 2.904 51 HE1 HIS 8 HE1 HIS 8 -8.506 -2.575 3.780 52 HE2 HIS 8 HE2 HIS 8 -8.983 -0.179 4.494 53 H LEU 9 H LEU 9 -2.259 -0.214 0.882 54 HA LEU 9 HA LEU 9 -2.221 1.366 -1.631 55 HB2 LEU 9 HB2 LEU 9 -0.013 0.792 0.359 56 HB3 LEU 9 HB3 LEU 9 0.088 1.899 -1.015 57 HG LEU 9 HG LEU 9 -1.904 2.281 1.223 58 HD11 LEU 9 HD11 LEU 9 0.361 2.189 2.191 59 HD12 LEU 9 HD12 LEU 9 0.902 3.426 1.031 60 HD13 LEU 9 HD13 LEU 9 -0.321 3.832 2.260 61 HD21 LEU 9 HD21 LEU 9 -2.296 3.498 -0.885 62 HD22 LEU 9 HD22 LEU 9 -0.663 4.197 -0.779 63 HD23 LEU 9 HD23 LEU 9 -1.885 4.602 0.450 64 H MET 10 H MET 10 -2.008 0.279 -3.455 65 HA MET 10 HA MET 10 -1.098 -2.420 -3.624 66 HB2 MET 10 HB2 MET 10 -2.550 -1.104 -5.269 67 HB3 MET 10 HB3 MET 10 -1.040 -0.419 -5.893 68 HG2 MET 10 HG2 MET 10 -1.478 -2.209 -7.320 69 HG3 MET 10 HG3 MET 10 -0.278 -2.862 -6.188 70 HE1 MET 10 HE1 MET 10 -2.954 -5.736 -7.219 71 HE2 MET 10 HE2 MET 10 -2.618 -4.290 -8.200 72 HE3 MET 10 HE3 MET 10 -1.276 -5.190 -7.454 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 8.608 4.032 -3.087 2 H2 GLY 1 H2 GLY 1 9.932 4.222 -2.123 3 H3 GLY 1 H3 GLY 1 9.464 2.712 -2.592 4 HA2 GLY 1 HA2 GLY 1 7.841 4.497 -0.958 5 HA3 GLY 1 HA3 GLY 1 7.510 2.797 -1.340 6 H ASN 2 H ASN 2 7.568 3.743 1.273 7 HA ASN 2 HA ASN 2 10.204 2.904 2.347 8 HB2 ASN 2 HB2 ASN 2 7.772 4.147 3.672 9 HB3 ASN 2 HB3 ASN 2 9.255 3.683 4.529 10 HD21 ASN 2 HD21 ASN 2 11.300 4.507 3.036 11 HD22 ASN 2 HD22 ASN 2 11.239 6.231 2.745 12 H HIS 3 H HIS 3 6.860 2.402 3.516 13 HA HIS 3 HA HIS 3 7.553 -0.179 4.631 14 HB2 HIS 3 HB2 HIS 3 5.204 -0.329 5.229 15 HB3 HIS 3 HB3 HIS 3 5.836 1.278 5.628 16 HD2 HIS 3 HD2 HIS 3 3.390 -0.405 3.046 17 HE1 HIS 3 HE1 HIS 3 2.804 3.797 2.966 18 HE2 HIS 3 HE2 HIS 3 1.932 1.565 2.101 19 H TRP 4 H TRP 4 6.021 -2.093 4.152 20 HA TRP 4 HA TRP 4 6.371 -2.703 1.303 21 HB2 TRP 4 HB3 TRP 4 6.169 -4.185 3.780 22 HB3 TRP 4 HB2 TRP 4 5.010 -4.814 2.594 23 HD1 TRP 4 HD1 TRP 4 8.371 -5.513 3.665 24 HE1 TRP 4 HE1 TRP 4 9.804 -6.623 1.828 25 HE3 TRP 4 HE3 TRP 4 5.418 -4.432 -0.363 26 HZ2 TRP 4 HZ2 TRP 4 9.666 -6.975 -0.959 27 HZ3 TRP 4 HZ3 TRP 4 6.137 -5.190 -2.592 28 HH2 TRP 4 HH2 TRP 4 8.232 -6.447 -2.884 29 H ALA 5 H ALA 5 3.629 -3.379 3.505 30 HA ALA 5 HA ALA 5 1.776 -2.018 1.683 31 HB1 ALA 5 HB1 ALA 5 0.383 -4.019 1.305 32 HB2 ALA 5 HB2 ALA 5 2.003 -4.193 0.590 33 HB3 ALA 5 HB3 ALA 5 1.611 -5.019 2.117 34 H VAL 6 H VAL 6 0.905 -0.754 3.205 35 HA VAL 6 HA VAL 6 0.260 -1.808 5.855 36 HB VAL 6 HB VAL 6 1.027 0.491 5.666 37 HG11 VAL 6 HG11 VAL 6 0.202 0.942 3.388 38 HG12 VAL 6 HG12 VAL 6 -1.466 0.984 4.007 39 HG13 VAL 6 HG13 VAL 6 -0.291 2.213 4.533 40 HG21 VAL 6 HG21 VAL 6 -0.556 -0.079 7.466 41 HG22 VAL 6 HG22 VAL 6 -0.737 1.610 6.937 42 HG23 VAL 6 HG23 VAL 6 -1.914 0.383 6.411 43 H GLY 7 H GLY 7 -1.370 -1.304 2.811 44 HA2 GLY 7 HA3 GLY 7 -3.405 -2.643 2.468 45 HA3 GLY 7 HA2 GLY 7 -3.880 -2.242 4.130 46 H HIS 8 H HIS 8 -2.443 0.211 2.117 47 HA HIS 8 HA HIS 8 -5.152 1.430 1.770 48 HB2 HIS 8 HB2 HIS 8 -3.597 2.502 3.493 49 HB3 HIS 8 HB3 HIS 8 -2.578 2.983 2.125 50 HD2 HIS 8 HD2 HIS 8 -3.234 5.407 1.138 51 HE1 HIS 8 HE1 HIS 8 -7.231 5.576 2.546 52 HE2 HIS 8 HE2 HIS 8 -5.413 6.861 1.312 53 H LEU 9 H LEU 9 -3.745 -0.313 -0.080 54 HA LEU 9 HA LEU 9 -2.797 1.531 -2.191 55 HB2 LEU 9 HB3 LEU 9 -2.709 -1.421 -1.714 56 HB3 LEU 9 HB2 LEU 9 -2.662 -0.840 -3.382 57 HG LEU 9 HG LEU 9 -0.429 -1.293 -2.420 58 HD11 LEU 9 HD11 LEU 9 -0.738 0.304 -4.271 59 HD12 LEU 9 HD12 LEU 9 -0.947 1.621 -3.094 60 HD13 LEU 9 HD13 LEU 9 0.613 0.774 -3.213 61 HD21 LEU 9 HD21 LEU 9 0.507 0.056 -0.696 62 HD22 LEU 9 HD22 LEU 9 -1.074 -0.500 -0.098 63 HD23 LEU 9 HD23 LEU 9 -0.888 1.162 -0.707 64 H MET 10 H MET 10 -3.637 1.402 -4.364 65 HA MET 10 HA MET 10 -6.283 0.192 -4.737 66 HB2 MET 10 HB2 MET 10 -7.448 2.240 -5.241 67 HB3 MET 10 HB3 MET 10 -6.793 2.339 -3.597 68 HG2 MET 10 HG3 MET 10 -4.772 3.520 -4.827 69 HG3 MET 10 HG2 MET 10 -5.995 3.818 -6.076 70 HE1 MET 10 HE1 MET 10 -7.598 6.935 -4.955 71 HE2 MET 10 HE2 MET 10 -7.948 5.464 -5.894 72 HE3 MET 10 HE3 MET 10 -6.386 6.296 -6.092 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 12.982 -1.321 9.124 2 H2 GLY 1 H2 GLY 1 12.655 -2.757 8.383 3 H3 GLY 1 H3 GLY 1 11.448 -1.925 9.139 4 HA2 GLY 1 HA3 GLY 1 11.633 -0.139 7.598 5 HA3 GLY 1 HA2 GLY 1 12.927 -1.041 6.787 6 H ASN 2 H ASN 2 9.646 -1.789 8.033 7 HA ASN 2 HA ASN 2 9.109 -3.109 5.406 8 HB2 ASN 2 HB3 ASN 2 7.869 -3.680 8.122 9 HB3 ASN 2 HB2 ASN 2 7.478 -4.506 6.601 10 HD21 ASN 2 HD21 ASN 2 9.199 -5.728 5.520 11 HD22 ASN 2 HD22 ASN 2 10.447 -6.473 6.494 12 H HIS 3 H HIS 3 8.221 -1.449 4.264 13 HA HIS 3 HA HIS 3 5.608 -0.464 5.302 14 HB2 HIS 3 HB2 HIS 3 7.825 1.190 4.065 15 HB3 HIS 3 HB3 HIS 3 6.151 1.755 4.204 16 HD2 HIS 3 HD2 HIS 3 5.350 2.517 6.766 17 HE1 HIS 3 HE1 HIS 3 9.141 1.958 8.589 18 HE2 HIS 3 HE2 HIS 3 6.798 2.905 8.922 19 H TRP 4 H TRP 4 6.335 -2.603 3.431 20 HA TRP 4 HA TRP 4 6.070 -1.845 0.728 21 HB2 TRP 4 HB3 TRP 4 5.798 -4.292 2.314 22 HB3 TRP 4 HB2 TRP 4 4.702 -4.254 0.922 23 HD1 TRP 4 HD1 TRP 4 8.042 -5.410 1.728 24 HE1 TRP 4 HE1 TRP 4 9.540 -5.642 -0.362 25 HE3 TRP 4 HE3 TRP 4 5.205 -2.700 -1.547 26 HZ2 TRP 4 HZ2 TRP 4 9.488 -4.772 -3.037 27 HZ3 TRP 4 HZ3 TRP 4 5.997 -2.443 -3.863 28 HH2 TRP 4 HH2 TRP 4 8.111 -3.467 -4.598 29 H ALA 5 H ALA 5 3.436 -3.310 2.668 30 HA ALA 5 HA ALA 5 1.552 -1.489 1.229 31 HB1 ALA 5 HB1 ALA 5 -0.118 -3.301 1.324 32 HB2 ALA 5 HB2 ALA 5 1.327 -3.778 0.402 33 HB3 ALA 5 HB3 ALA 5 1.096 -4.372 2.063 34 H VAL 6 H VAL 6 1.510 0.046 2.860 35 HA VAL 6 HA VAL 6 1.269 -0.398 5.611 36 HB VAL 6 HB VAL 6 1.626 1.829 4.702 37 HG11 VAL 6 HG11 VAL 6 0.172 2.981 3.329 38 HG12 VAL 6 HG12 VAL 6 -0.086 1.311 2.771 39 HG13 VAL 6 HG13 VAL 6 -1.251 2.068 3.885 40 HG21 VAL 6 HG21 VAL 6 0.027 3.094 6.087 41 HG22 VAL 6 HG22 VAL 6 -0.985 1.638 6.237 42 HG23 VAL 6 HG23 VAL 6 0.651 1.660 6.936 43 H GLY 7 H GLY 7 -1.227 -0.497 3.100 44 HA2 GLY 7 HA2 GLY 7 -2.912 -2.178 4.666 45 HA3 GLY 7 HA3 GLY 7 -3.499 -0.508 4.783 46 H HIS 8 H HIS 8 -3.758 0.641 2.633 47 HA HIS 8 HA HIS 8 -4.591 -1.272 0.501 48 HB2 HIS 8 HB2 HIS 8 -6.599 0.185 0.116 49 HB3 HIS 8 HB3 HIS 8 -6.635 -0.757 1.617 50 HD2 HIS 8 HD2 HIS 8 -6.106 0.822 3.987 51 HE1 HIS 8 HE1 HIS 8 -7.111 4.471 2.070 52 HE2 HIS 8 HE2 HIS 8 -6.679 3.361 4.324 53 H LEU 9 H LEU 9 -2.356 -0.429 -0.126 54 HA LEU 9 HA LEU 9 -1.974 2.260 -0.952 55 HB2 LEU 9 HB2 LEU 9 -0.164 1.380 -2.343 56 HB3 LEU 9 HB3 LEU 9 -0.122 0.718 -0.705 57 HG LEU 9 HG LEU 9 -1.477 -1.257 -1.881 58 HD11 LEU 9 HD11 LEU 9 -1.543 -0.139 -4.076 59 HD12 LEU 9 HD12 LEU 9 -0.644 -1.673 -4.143 60 HD13 LEU 9 HD13 LEU 9 0.236 -0.127 -4.118 61 HD21 LEU 9 HD21 LEU 9 0.653 -1.444 -0.655 62 HD22 LEU 9 HD22 LEU 9 0.649 -2.442 -2.129 63 HD23 LEU 9 HD23 LEU 9 1.529 -0.895 -2.104 64 H MET 10 H MET 10 -3.604 -0.451 -2.470 65 HA MET 10 HA MET 10 -3.647 0.394 -5.151 66 HB2 MET 10 HB2 MET 10 -5.661 -0.933 -5.392 67 HB3 MET 10 HB3 MET 10 -4.503 -1.780 -4.351 68 HG2 MET 10 HG3 MET 10 -5.838 -0.666 -2.403 69 HG3 MET 10 HG2 MET 10 -7.097 -0.442 -3.632 70 HE1 MET 10 HE1 MET 10 -8.960 -3.615 -3.563 71 HE2 MET 10 HE2 MET 10 -8.510 -2.316 -4.693 72 HE3 MET 10 HE3 MET 10 -9.021 -1.916 -3.036 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 9.841 4.559 8.434 2 H2 GLY 1 H2 GLY 1 9.393 2.991 8.183 3 H3 GLY 1 H3 GLY 1 10.730 3.597 7.431 4 HA2 GLY 1 HA2 GLY 1 7.929 4.085 6.894 5 HA3 GLY 1 HA3 GLY 1 9.155 5.282 6.433 6 H ASN 2 H ASN 2 9.126 1.699 6.410 7 HA ASN 2 HA ASN 2 9.484 1.817 3.453 8 HB2 ASN 2 HB2 ASN 2 11.133 0.180 5.408 9 HB3 ASN 2 HB3 ASN 2 11.167 -0.019 3.645 10 HD21 ASN 2 HD21 ASN 2 12.016 2.052 6.369 11 HD22 ASN 2 HD22 ASN 2 13.114 3.095 5.494 12 H HIS 3 H HIS 3 7.118 1.292 4.999 13 HA HIS 3 HA HIS 3 6.729 -1.601 5.046 14 HB2 HIS 3 HB3 HIS 3 4.981 0.804 5.528 15 HB3 HIS 3 HB2 HIS 3 4.269 -0.807 5.340 16 HD2 HIS 3 HD2 HIS 3 6.971 -2.123 7.113 17 HE1 HIS 3 HE1 HIS 3 4.946 -0.089 10.235 18 HE2 HIS 3 HE2 HIS 3 6.693 -1.865 9.710 19 H TRP 4 H TRP 4 6.313 -2.820 3.350 20 HA TRP 4 HA TRP 4 6.010 -1.905 0.722 21 HB2 TRP 4 HB2 TRP 4 5.742 -4.432 2.150 22 HB3 TRP 4 HB3 TRP 4 4.594 -4.317 0.804 23 HD1 TRP 4 HD1 TRP 4 7.925 -5.574 1.421 24 HE1 TRP 4 HE1 TRP 4 9.365 -5.683 -0.719 25 HE3 TRP 4 HE3 TRP 4 5.078 -2.567 -1.574 26 HZ2 TRP 4 HZ2 TRP 4 9.276 -4.617 -3.317 27 HZ3 TRP 4 HZ3 TRP 4 5.822 -2.156 -3.886 28 HH2 TRP 4 HH2 TRP 4 7.894 -3.170 -4.744 29 H ALA 5 H ALA 5 3.343 -3.481 2.524 30 HA ALA 5 HA ALA 5 1.494 -1.530 1.218 31 HB1 ALA 5 HB1 ALA 5 0.638 -4.311 1.994 32 HB2 ALA 5 HB2 ALA 5 -0.069 -3.203 0.794 33 HB3 ALA 5 HB3 ALA 5 1.474 -4.020 0.450 34 H VAL 6 H VAL 6 1.474 -0.120 2.961 35 HA VAL 6 HA VAL 6 1.195 -0.763 5.670 36 HB VAL 6 HB VAL 6 1.608 1.517 4.933 37 HG11 VAL 6 HG11 VAL 6 0.193 2.798 3.636 38 HG12 VAL 6 HG12 VAL 6 -0.104 1.179 2.957 39 HG13 VAL 6 HG13 VAL 6 -1.256 1.883 4.117 40 HG21 VAL 6 HG21 VAL 6 0.575 1.161 7.141 41 HG22 VAL 6 HG22 VAL 6 -1.039 1.312 6.405 42 HG23 VAL 6 HG23 VAL 6 0.068 2.706 6.416 43 H GLY 7 H GLY 7 -1.292 -0.577 3.146 44 HA2 GLY 7 HA2 GLY 7 -3.020 -2.432 4.234 45 HA3 GLY 7 HA3 GLY 7 -3.478 -0.913 5.030 46 H HIS 8 H HIS 8 -2.639 0.612 2.567 47 HA HIS 8 HA HIS 8 -5.230 0.348 1.194 48 HB2 HIS 8 HB3 HIS 8 -4.495 2.397 -0.007 49 HB3 HIS 8 HB2 HIS 8 -4.520 2.570 1.755 50 HD2 HIS 8 HD2 HIS 8 -1.364 0.782 0.519 51 HE1 HIS 8 HE1 HIS 8 -0.335 4.852 1.134 52 HE2 HIS 8 HE2 HIS 8 0.595 2.523 0.676 53 H LEU 9 H LEU 9 -3.996 -1.929 0.676 54 HA LEU 9 HA LEU 9 -2.694 -1.588 -1.988 55 HB2 LEU 9 HB2 LEU 9 -1.504 -2.847 -0.151 56 HB3 LEU 9 HB3 LEU 9 -2.774 -4.072 -0.256 57 HG LEU 9 HG LEU 9 -2.062 -4.097 -2.808 58 HD11 LEU 9 HD11 LEU 9 -0.461 -2.237 -2.584 59 HD12 LEU 9 HD12 LEU 9 0.473 -3.190 -1.406 60 HD13 LEU 9 HD13 LEU 9 0.341 -3.742 -3.093 61 HD21 LEU 9 HD21 LEU 9 -1.977 -5.995 -1.236 62 HD22 LEU 9 HD22 LEU 9 -0.419 -5.403 -0.613 63 HD23 LEU 9 HD23 LEU 9 -0.551 -5.954 -2.300 64 H MET 10 H MET 10 -4.585 -1.267 -3.186 65 HA MET 10 HA MET 10 -6.670 -3.345 -3.098 66 HB2 MET 10 HB3 MET 10 -6.322 -0.702 -4.491 67 HB3 MET 10 HB2 MET 10 -7.503 -1.871 -5.109 68 HG2 MET 10 HG2 MET 10 -8.779 -0.560 -3.694 69 HG3 MET 10 HG3 MET 10 -8.377 -1.954 -2.674 70 HE1 MET 10 HE1 MET 10 -7.701 2.360 -1.720 71 HE2 MET 10 HE2 MET 10 -9.126 1.461 -2.295 72 HE3 MET 10 HE3 MET 10 -7.797 1.836 -3.419 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 13.127 1.830 8.230 2 H2 GLY 1 H2 GLY 1 11.710 1.059 7.888 3 H3 GLY 1 H3 GLY 1 11.688 2.573 8.542 4 HA2 GLY 1 HA2 GLY 1 12.698 3.491 6.616 5 HA3 GLY 1 HA3 GLY 1 12.728 1.865 5.908 6 H ASN 2 H ASN 2 11.000 1.152 4.803 7 HA ASN 2 HA ASN 2 8.435 2.630 5.127 8 HB2 ASN 2 HB2 ASN 2 8.150 2.811 2.731 9 HB3 ASN 2 HB3 ASN 2 9.670 3.597 3.201 10 HD21 ASN 2 HD21 ASN 2 8.160 1.054 1.374 11 HD22 ASN 2 HD22 ASN 2 9.611 0.422 0.630 12 H HIS 3 H HIS 3 6.709 1.353 5.223 13 HA HIS 3 HA HIS 3 7.069 -1.527 5.122 14 HB2 HIS 3 HB2 HIS 3 5.490 -0.117 6.623 15 HB3 HIS 3 HB3 HIS 3 4.400 -0.121 5.225 16 HD2 HIS 3 HD2 HIS 3 2.648 -2.162 5.381 17 HE1 HIS 3 HE1 HIS 3 5.060 -4.884 7.564 18 HE2 HIS 3 HE2 HIS 3 2.775 -4.534 6.497 19 H TRP 4 H TRP 4 6.484 -2.967 3.597 20 HA TRP 4 HA TRP 4 6.304 -2.172 0.895 21 HB2 TRP 4 HB3 TRP 4 6.052 -4.663 2.430 22 HB3 TRP 4 HB2 TRP 4 5.060 -4.642 0.961 23 HD1 TRP 4 HD1 TRP 4 8.385 -5.662 1.992 24 HE1 TRP 4 HE1 TRP 4 10.039 -5.778 0.012 25 HE3 TRP 4 HE3 TRP 4 5.666 -3.016 -1.433 26 HZ2 TRP 4 HZ2 TRP 4 10.141 -4.856 -2.643 27 HZ3 TRP 4 HZ3 TRP 4 6.612 -2.673 -3.681 28 HH2 TRP 4 HH2 TRP 4 8.819 -3.582 -4.277 29 H ALA 5 H ALA 5 3.668 -3.663 2.825 30 HA ALA 5 HA ALA 5 1.754 -2.093 1.152 31 HB1 ALA 5 HB1 ALA 5 0.130 -3.905 1.545 32 HB2 ALA 5 HB2 ALA 5 1.593 -4.493 0.720 33 HB3 ALA 5 HB3 ALA 5 1.365 -4.806 2.457 34 H VAL 6 H VAL 6 1.751 -0.311 2.547 35 HA VAL 6 HA VAL 6 1.448 -0.335 5.327 36 HB VAL 6 HB VAL 6 0.204 1.618 3.359 37 HG11 VAL 6 HG11 VAL 6 -0.774 1.767 5.615 38 HG12 VAL 6 HG12 VAL 6 0.201 3.202 5.221 39 HG13 VAL 6 HG13 VAL 6 0.857 1.951 6.304 40 HG21 VAL 6 HG21 VAL 6 2.636 1.356 3.077 41 HG22 VAL 6 HG22 VAL 6 2.869 1.709 4.806 42 HG23 VAL 6 HG23 VAL 6 2.213 2.960 3.723 43 H GLY 7 H GLY 7 -1.167 -0.204 2.867 44 HA2 GLY 7 HA3 GLY 7 -2.872 -1.900 4.456 45 HA3 GLY 7 HA2 GLY 7 -3.344 -0.197 4.613 46 H HIS 8 H HIS 8 -4.585 0.713 3.093 47 HA HIS 8 HA HIS 8 -5.281 -1.000 0.759 48 HB2 HIS 8 HB2 HIS 8 -7.051 -0.168 2.388 49 HB3 HIS 8 HB3 HIS 8 -6.751 1.459 1.751 50 HD2 HIS 8 HD2 HIS 8 -8.601 2.042 -0.111 51 HE1 HIS 8 HE1 HIS 8 -9.103 -1.850 -1.728 52 HE2 HIS 8 HE2 HIS 8 -9.855 0.579 -1.896 53 H LEU 9 H LEU 9 -3.426 -0.467 -0.478 54 HA LEU 9 HA LEU 9 -3.543 2.301 -1.607 55 HB2 LEU 9 HB2 LEU 9 -1.137 2.111 -2.048 56 HB3 LEU 9 HB3 LEU 9 -1.513 2.046 -0.323 57 HG LEU 9 HG LEU 9 -1.179 -0.522 -1.825 58 HD11 LEU 9 HD11 LEU 9 0.723 0.868 -2.548 59 HD12 LEU 9 HD12 LEU 9 1.125 1.194 -0.845 60 HD13 LEU 9 HD13 LEU 9 1.243 -0.462 -1.486 61 HD21 LEU 9 HD21 LEU 9 -1.890 -0.511 0.534 62 HD22 LEU 9 HD22 LEU 9 -0.296 -1.275 0.328 63 HD23 LEU 9 HD23 LEU 9 -0.413 0.381 0.970 64 H MET 10 H MET 10 -4.998 -0.090 -2.463 65 HA MET 10 HA MET 10 -3.699 -0.515 -5.122 66 HB2 MET 10 HB2 MET 10 -5.344 -2.274 -3.343 67 HB3 MET 10 HB3 MET 10 -5.495 -2.479 -5.096 68 HG2 MET 10 HG2 MET 10 -2.839 -2.503 -3.651 69 HG3 MET 10 HG3 MET 10 -3.807 -3.965 -3.915 70 HE1 MET 10 HE1 MET 10 -2.438 -5.189 -7.107 71 HE2 MET 10 HE2 MET 10 -2.245 -5.370 -5.347 72 HE3 MET 10 HE3 MET 10 -3.874 -5.302 -6.061 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 8.439 4.008 9.442 2 H2 GLY 1 H2 GLY 1 9.731 3.330 8.675 3 H3 GLY 1 H3 GLY 1 8.357 2.448 8.912 4 HA2 GLY 1 HA3 GLY 1 7.119 3.861 7.485 5 HA3 GLY 1 HA2 GLY 1 8.583 4.835 7.250 6 H ASN 2 H ASN 2 7.714 4.172 4.969 7 HA ASN 2 HA ASN 2 8.100 3.001 3.021 8 HB2 ASN 2 HB2 ASN 2 10.595 2.395 4.612 9 HB3 ASN 2 HB3 ASN 2 10.358 1.736 2.982 10 HD21 ASN 2 HD21 ASN 2 12.030 2.883 2.019 11 HD22 ASN 2 HD22 ASN 2 11.983 4.618 1.798 12 H HIS 3 H HIS 3 6.323 1.771 4.753 13 HA HIS 3 HA HIS 3 7.003 -1.023 5.130 14 HB2 HIS 3 HB3 HIS 3 5.304 0.328 6.456 15 HB3 HIS 3 HB2 HIS 3 4.235 0.197 5.049 16 HD2 HIS 3 HD2 HIS 3 6.326 -2.702 6.782 17 HE1 HIS 3 HE1 HIS 3 2.226 -3.777 6.631 18 HE2 HIS 3 HE2 HIS 3 4.555 -4.569 7.298 19 H TRP 4 H TRP 4 6.688 -2.732 3.844 20 HA TRP 4 HA TRP 4 6.432 -2.453 1.065 21 HB2 TRP 4 HB2 TRP 4 6.473 -4.631 3.002 22 HB3 TRP 4 HB3 TRP 4 5.418 -4.998 1.625 23 HD1 TRP 4 HD1 TRP 4 8.872 -5.464 2.620 24 HE1 TRP 4 HE1 TRP 4 10.451 -5.788 0.605 25 HE3 TRP 4 HE3 TRP 4 5.754 -3.795 -1.069 26 HZ2 TRP 4 HZ2 TRP 4 10.352 -5.380 -2.175 27 HZ3 TRP 4 HZ3 TRP 4 6.569 -3.791 -3.393 28 HH2 TRP 4 HH2 TRP 4 8.839 -4.573 -3.936 29 H ALA 5 H ALA 5 3.916 -3.692 3.310 30 HA ALA 5 HA ALA 5 1.892 -2.782 1.309 31 HB1 ALA 5 HB1 ALA 5 0.421 -4.552 2.197 32 HB2 ALA 5 HB2 ALA 5 1.935 -5.216 1.537 33 HB3 ALA 5 HB3 ALA 5 1.721 -5.070 3.298 34 H VAL 6 H VAL 6 1.737 -0.699 2.178 35 HA VAL 6 HA VAL 6 1.410 -0.004 4.868 36 HB VAL 6 HB VAL 6 0.033 1.248 2.466 37 HG11 VAL 6 HG11 VAL 6 -0.976 1.914 4.612 38 HG12 VAL 6 HG12 VAL 6 0.628 2.406 5.207 39 HG13 VAL 6 HG13 VAL 6 -0.116 3.266 3.838 40 HG21 VAL 6 HG21 VAL 6 2.481 1.116 2.235 41 HG22 VAL 6 HG22 VAL 6 1.924 2.795 2.434 42 HG23 VAL 6 HG23 VAL 6 2.668 1.936 3.804 43 H GLY 7 H GLY 7 -1.209 -0.663 2.496 44 HA2 GLY 7 HA2 GLY 7 -2.798 -2.281 4.048 45 HA3 GLY 7 HA3 GLY 7 -3.210 -0.651 4.614 46 H HIS 8 H HIS 8 -4.172 0.842 3.154 47 HA HIS 8 HA HIS 8 -5.226 -0.393 0.651 48 HB2 HIS 8 HB3 HIS 8 -7.399 0.786 1.131 49 HB3 HIS 8 HB2 HIS 8 -7.031 -0.592 2.181 50 HD2 HIS 8 HD2 HIS 8 -6.350 3.317 2.539 51 HE1 HIS 8 HE1 HIS 8 -7.741 1.738 6.223 52 HE2 HIS 8 HE2 HIS 8 -6.975 3.856 5.031 53 H LEU 9 H LEU 9 -3.006 1.272 0.755 54 HA LEU 9 HA LEU 9 -3.961 3.987 0.080 55 HB2 LEU 9 HB2 LEU 9 -1.821 3.284 1.440 56 HB3 LEU 9 HB3 LEU 9 -1.106 3.088 -0.165 57 HG LEU 9 HG LEU 9 -2.494 5.657 0.507 58 HD11 LEU 9 HD11 LEU 9 -1.049 5.195 2.449 59 HD12 LEU 9 HD12 LEU 9 0.335 4.960 1.355 60 HD13 LEU 9 HD13 LEU 9 -0.439 6.558 1.479 61 HD21 LEU 9 HD21 LEU 9 -1.669 5.223 -1.775 62 HD22 LEU 9 HD22 LEU 9 -0.803 6.574 -1.005 63 HD23 LEU 9 HD23 LEU 9 -0.028 4.977 -1.129 64 H MET 10 H MET 10 -1.977 1.414 -1.439 65 HA MET 10 HA MET 10 -1.994 2.674 -4.029 66 HB2 MET 10 HB2 MET 10 -0.429 0.829 -2.996 67 HB3 MET 10 HB3 MET 10 -1.629 -0.288 -3.668 68 HG2 MET 10 HG2 MET 10 -0.503 1.866 -5.419 69 HG3 MET 10 HG3 MET 10 0.498 0.448 -5.049 70 HE1 MET 10 HE1 MET 10 -1.437 0.374 -8.735 71 HE2 MET 10 HE2 MET 10 0.108 0.844 -7.987 72 HE3 MET 10 HE3 MET 10 -1.340 1.850 -7.745
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